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 2je8_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 0.000 174.896 174.900 -0.007 0.000 0.946 27 G CA 0.000 45.088 45.100 -0.019 0.000 0.502 28 N N 1.244 119.939 118.700 -0.008 0.000 2.549 28 N HA 0.371 5.111 4.740 -0.000 0.000 0.267 28 N C -0.749 174.760 175.510 -0.003 0.000 1.182 28 N CA 0.041 53.090 53.050 -0.002 0.000 1.019 28 N CB 0.043 38.528 38.487 -0.002 0.000 1.380 28 N HN 0.690 nan 8.380 nan 0.000 0.505 29 D N -1.828 118.575 120.400 0.006 0.000 2.825 29 D HA 0.174 4.814 4.640 -0.000 0.000 0.327 29 D C 0.571 176.888 176.300 0.028 0.000 1.277 29 D CA -0.592 53.415 54.000 0.011 0.000 0.950 29 D CB -0.091 40.712 40.800 0.005 0.000 1.438 29 D HN 0.053 nan 8.370 nan 0.000 0.526 30 T N -2.675 111.903 114.554 0.040 0.000 3.129 30 T HA 0.205 4.554 4.350 -0.000 0.000 0.251 30 T C 0.760 175.508 174.700 0.080 0.000 1.117 30 T CA 0.222 62.352 62.100 0.050 0.000 1.034 30 T CB -0.855 68.041 68.868 0.047 0.000 0.968 30 T HN 0.567 nan 8.240 nan 0.000 0.526 31 S N 0.647 116.406 115.700 0.098 0.000 2.593 31 S HA 0.300 4.770 4.470 -0.000 0.000 0.269 31 S C -0.251 174.430 174.600 0.134 0.000 1.334 31 S CA -0.859 57.432 58.200 0.151 0.000 1.015 31 S CB 1.206 64.494 63.200 0.146 0.000 0.912 31 S HN 0.594 nan 8.310 nan 0.000 0.541 32 E N 0.947 121.267 120.200 0.201 0.000 2.187 32 E HA 0.538 4.887 4.350 -0.000 0.000 0.268 32 E C -1.652 175.110 176.600 0.270 0.000 0.896 32 E CA -0.942 55.571 56.400 0.189 0.000 0.766 32 E CB 1.630 31.412 29.700 0.136 0.000 1.142 32 E HN 0.545 nan 8.360 nan 0.000 0.408 33 V N 5.821 125.838 119.914 0.170 0.000 2.384 33 V HA 0.346 4.466 4.120 -0.000 0.000 0.287 33 V C -0.052 176.123 176.094 0.136 0.000 1.020 33 V CA -0.507 61.874 62.300 0.135 0.000 0.850 33 V CB 1.477 33.335 31.823 0.058 0.000 0.987 33 V HN 0.806 nan 8.190 nan 0.000 0.436 34 M N 5.879 125.574 119.600 0.159 0.000 2.149 34 M HA 0.514 4.994 4.480 -0.000 0.000 0.342 34 M C -0.853 175.454 176.300 0.011 0.000 1.068 34 M CA -0.392 54.972 55.300 0.107 0.000 0.991 34 M CB 1.415 34.123 32.600 0.180 0.000 1.596 34 M HN 0.418 nan 8.290 nan 0.000 0.439 35 L N 5.015 126.251 121.223 0.021 0.000 2.281 35 L HA 0.325 4.665 4.340 -0.000 0.000 0.285 35 L C -0.157 176.733 176.870 0.034 0.000 1.074 35 L CA -0.357 54.494 54.840 0.018 0.000 0.817 35 L CB 0.361 42.444 42.059 0.041 0.000 1.168 35 L HN 0.654 nan 8.230 nan 0.000 0.434 36 L N 4.558 125.807 121.223 0.043 0.000 2.466 36 L HA 0.119 4.459 4.340 -0.000 0.000 0.248 36 L C 0.244 177.358 176.870 0.407 0.000 1.240 36 L CA -0.107 54.819 54.840 0.145 0.000 1.180 36 L CB -0.278 41.833 42.059 0.087 0.000 1.413 36 L HN 0.708 nan 8.230 nan 0.000 0.406 37 D N -1.223 119.351 120.400 0.289 0.000 2.469 37 D HA 0.049 4.689 4.640 -0.000 0.000 0.215 37 D C 0.497 176.990 176.300 0.322 0.000 1.154 37 D CA -0.033 54.139 54.000 0.287 0.000 0.832 37 D CB 0.524 41.414 40.800 0.149 0.000 1.008 37 D HN 0.321 nan 8.370 nan 0.000 0.506 38 T N -5.178 109.582 114.554 0.343 0.000 2.883 38 T HA 0.534 4.883 4.350 -0.000 0.000 0.301 38 T C 0.851 175.690 174.700 0.232 0.000 1.158 38 T CA -0.307 61.961 62.100 0.279 0.000 1.007 38 T CB 1.678 70.646 68.868 0.167 0.000 1.186 38 T HN 0.380 nan 8.240 nan 0.000 0.499 39 G N -0.034 108.893 108.800 0.212 0.000 2.143 39 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.248 39 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.248 39 G C -0.220 174.745 174.900 0.108 0.000 0.991 39 G CA -0.089 45.082 45.100 0.119 0.000 0.689 39 G HN 0.800 nan 8.290 nan 0.000 0.522 40 W N 0.554 121.966 121.300 0.186 0.000 2.313 40 W HA 0.670 5.329 4.660 -0.000 0.000 0.328 40 W C 0.761 177.444 176.519 0.274 0.000 1.197 40 W CA -0.420 57.070 57.345 0.243 0.000 1.235 40 W CB 0.749 30.396 29.460 0.311 0.000 1.158 40 W HN 0.176 nan 8.180 nan 0.000 0.578 41 E N 1.637 122.171 120.200 0.557 0.000 2.336 41 E HA 0.577 4.927 4.350 -0.000 0.000 0.267 41 E C -1.286 175.707 176.600 0.655 0.000 0.906 41 E CA -1.139 55.586 56.400 0.541 0.000 0.781 41 E CB 2.374 32.302 29.700 0.380 0.000 1.261 41 E HN 0.338 nan 8.360 nan 0.000 0.436 42 F N -0.829 119.264 119.950 0.238 0.000 2.620 42 F HA 0.800 5.327 4.527 -0.000 0.000 0.320 42 F C -0.920 174.750 175.800 -0.216 0.000 1.069 42 F CA -0.785 57.096 58.000 -0.198 0.000 0.953 42 F CB 1.863 40.336 39.000 -0.878 0.000 1.322 42 F HN 0.391 nan 8.300 nan 0.000 0.479 43 S N 1.114 116.364 115.700 -0.749 0.000 2.533 43 S HA 0.296 4.766 4.470 -0.000 0.000 0.271 43 S C -1.545 172.771 174.600 -0.474 0.000 1.143 43 S CA -0.967 56.651 58.200 -0.970 0.000 0.891 43 S CB 1.687 63.804 63.200 -1.805 0.000 1.105 43 S HN 1.074 nan 8.310 nan 0.000 0.468 44 Q N 1.871 121.406 119.800 -0.441 0.000 2.289 44 Q HA 0.289 4.628 4.340 -0.000 0.000 0.273 44 Q C -0.460 175.194 176.000 -0.577 0.000 1.029 44 Q CA -0.060 55.296 55.803 -0.744 0.000 0.896 44 Q CB 0.442 28.795 28.738 -0.641 0.000 1.182 44 Q HN 0.766 nan 8.270 nan 0.000 0.385 45 S N 2.627 117.990 115.700 -0.562 0.000 2.552 45 S HA 0.256 4.726 4.470 -0.000 0.000 0.289 45 S C 0.978 175.440 174.600 -0.229 0.000 1.304 45 S CA 0.493 58.507 58.200 -0.310 0.000 1.063 45 S CB 0.705 63.777 63.200 -0.214 0.000 0.848 45 S HN 1.014 nan 8.310 nan 0.000 0.499 46 G N 1.931 110.648 108.800 -0.139 0.000 2.194 46 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.236 46 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.236 46 G C 0.869 175.696 174.900 -0.122 0.000 0.987 46 G CA 0.764 45.804 45.100 -0.100 0.000 0.635 46 G HN 0.947 nan 8.290 nan 0.000 0.520 47 T N -2.429 112.012 114.554 -0.187 0.000 3.040 47 T HA 0.378 4.728 4.350 -0.000 0.000 0.252 47 T C 1.181 175.786 174.700 -0.159 0.000 1.064 47 T CA 1.351 63.342 62.100 -0.182 0.000 1.110 47 T CB -0.064 68.664 68.868 -0.234 0.000 0.921 47 T HN 0.891 nan 8.240 nan 0.000 0.480 48 E N -0.015 120.076 120.200 -0.182 0.000 3.496 48 E HA -0.195 4.155 4.350 -0.000 0.000 0.300 48 E C 0.014 176.539 176.600 -0.124 0.000 0.877 48 E CA 0.806 57.155 56.400 -0.084 0.000 1.050 48 E CB -1.253 28.457 29.700 0.017 0.000 1.532 48 E HN 0.652 nan 8.360 nan 0.000 0.447 49 K N 0.751 120.957 120.400 -0.323 0.000 2.293 49 K HA 0.371 4.691 4.320 -0.000 0.000 0.267 49 K C -1.214 175.123 176.600 -0.439 0.000 1.010 49 K CA -0.577 55.564 56.287 -0.243 0.000 0.875 49 K CB 0.725 33.105 32.500 -0.200 0.000 1.106 49 K HN -0.018 nan 8.250 nan 0.000 0.450 50 W N 5.168 126.385 121.300 -0.139 0.000 2.551 50 W HA 0.487 5.147 4.660 0.000 0.000 0.330 50 W C -0.211 176.195 176.519 -0.187 0.000 1.063 50 W CA -0.705 56.539 57.345 -0.168 0.000 1.222 50 W CB 1.479 30.898 29.460 -0.069 0.000 1.349 50 W HN 0.276 nan 8.180 nan 0.000 0.536 51 M N 3.140 122.732 119.600 -0.014 0.000 2.531 51 M HA 0.370 4.850 4.480 -0.000 0.000 0.286 51 M C -2.569 173.912 176.300 0.302 0.000 1.232 51 M CA -2.155 53.124 55.300 -0.036 0.000 0.877 51 M CB 2.206 34.566 32.600 -0.400 0.000 1.726 51 M HN -0.045 nan 8.290 nan 0.000 0.463 52 P HA 0.152 nan 4.420 nan 0.000 0.265 52 P C -1.277 176.402 177.300 0.631 0.000 1.187 52 P CA 0.145 63.529 63.100 0.472 0.000 0.766 52 P CB 0.477 32.422 31.700 0.408 0.000 0.820 53 A N 2.519 125.644 122.820 0.508 0.000 2.430 53 A HA 0.776 5.096 4.320 -0.000 0.000 0.300 53 A C -0.667 177.075 177.584 0.263 0.000 1.124 53 A CA -0.391 51.864 52.037 0.364 0.000 0.766 53 A CB 1.055 20.332 19.000 0.463 0.000 1.328 53 A HN 0.397 nan 8.150 nan 0.000 0.424 54 T N 0.878 115.499 114.554 0.112 0.000 2.786 54 T HA 0.571 4.921 4.350 -0.000 0.000 0.283 54 T C -0.931 173.741 174.700 -0.047 0.000 0.992 54 T CA -0.251 61.888 62.100 0.064 0.000 0.954 54 T CB 1.029 69.912 68.868 0.025 0.000 0.934 54 T HN 0.519 nan 8.240 nan 0.000 0.440 55 V N 5.721 125.579 119.914 -0.093 0.000 2.588 55 V HA 0.423 4.543 4.120 -0.000 0.000 0.304 55 V C -2.276 173.742 176.094 -0.127 0.000 1.042 55 V CA -2.186 59.935 62.300 -0.299 0.000 0.877 55 V CB 1.962 33.229 31.823 -0.926 0.000 0.996 55 V HN 0.678 nan 8.190 nan 0.000 0.425 56 P HA 0.483 nan 4.420 nan 0.000 0.267 56 P C 0.178 177.409 177.300 -0.114 0.000 1.200 56 P CA 0.453 63.472 63.100 -0.136 0.000 0.772 56 P CB 0.741 32.404 31.700 -0.063 0.000 0.855 57 G N 0.115 108.822 108.800 -0.155 0.000 2.494 57 G HA2 0.609 4.569 3.960 -0.000 0.000 0.308 57 G HA3 0.609 4.569 3.960 -0.000 0.000 0.308 57 G C -1.513 173.270 174.900 -0.195 0.000 1.263 57 G CA -0.342 44.678 45.100 -0.134 0.000 0.840 57 G HN 0.621 nan 8.290 nan 0.000 0.479 58 T N -2.649 111.775 114.554 -0.216 0.000 2.903 58 T HA 0.543 4.893 4.350 -0.000 0.000 0.299 58 T C 0.980 175.480 174.700 -0.333 0.000 1.093 58 T CA 0.068 62.010 62.100 -0.263 0.000 1.002 58 T CB 1.596 70.362 68.868 -0.169 0.000 1.127 58 T HN 0.772 nan 8.240 nan 0.000 0.488 59 V N 1.188 120.849 119.914 -0.421 0.000 2.324 59 V HA -0.218 3.902 4.120 -0.000 0.000 0.250 59 V C 2.441 178.144 176.094 -0.651 0.000 1.060 59 V CA 2.208 64.111 62.300 -0.661 0.000 1.042 59 V CB -1.177 30.018 31.823 -1.047 0.000 0.650 59 V HN 0.976 nan 8.190 nan 0.000 0.450 60 H N -0.694 118.070 119.070 -0.509 0.000 2.353 60 H HA -0.173 4.383 4.556 -0.000 0.000 0.300 60 H C 2.293 177.446 175.328 -0.293 0.000 1.090 60 H CA 1.895 57.705 56.048 -0.396 0.000 1.327 60 H CB -0.202 29.358 29.762 -0.337 0.000 1.383 60 H HN 0.370 nan 8.280 nan 0.000 0.508 61 Q N 0.758 120.472 119.800 -0.143 0.000 2.119 61 Q HA -0.124 4.216 4.340 -0.000 0.000 0.201 61 Q C 1.340 177.229 176.000 -0.185 0.000 0.972 61 Q CA 1.614 57.336 55.803 -0.134 0.000 0.847 61 Q CB -0.124 28.552 28.738 -0.103 0.000 0.903 61 Q HN 0.404 nan 8.270 nan 0.000 0.433 62 D N -0.222 119.986 120.400 -0.320 0.000 2.117 62 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 62 D C 1.892 178.095 176.300 -0.162 0.000 0.987 62 D CA 1.123 54.862 54.000 -0.435 0.000 0.829 62 D CB -0.137 39.992 40.800 -1.118 0.000 0.961 62 D HN 0.308 nan 8.370 nan 0.000 0.460 63 L N 0.449 121.590 121.223 -0.136 0.000 2.046 63 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 63 L C 2.572 179.507 176.870 0.109 0.000 1.077 63 L CA 0.676 55.597 54.840 0.135 0.000 0.747 63 L CB -0.309 41.752 42.059 0.002 0.000 0.896 63 L HN 0.004 nan 8.230 nan 0.000 0.432 64 I N -0.737 119.833 120.570 0.001 0.000 2.208 64 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 64 I C 2.527 178.638 176.117 -0.011 0.000 1.097 64 I CA 1.247 62.550 61.300 0.004 0.000 1.363 64 I CB -0.266 37.712 38.000 -0.037 0.000 1.051 64 I HN 0.161 nan 8.210 nan 0.000 0.413 65 S N -0.843 114.806 115.700 -0.085 0.000 2.447 65 S HA -0.126 4.344 4.470 -0.000 0.000 0.233 65 S C 1.437 175.880 174.600 -0.261 0.000 1.006 65 S CA 0.880 58.972 58.200 -0.180 0.000 0.957 65 S CB -0.312 62.734 63.200 -0.257 0.000 0.773 65 S HN 0.447 nan 8.310 nan 0.000 0.507 66 H N 0.895 120.034 119.070 0.115 0.000 2.505 66 H HA 0.242 4.798 4.556 -0.000 0.000 0.289 66 H C 0.129 175.525 175.328 0.112 0.000 1.052 66 H CA 0.075 56.202 56.048 0.131 0.000 1.156 66 H CB -0.125 29.747 29.762 0.184 0.000 1.507 66 H HN 0.482 nan 8.280 nan 0.000 0.548 67 E N 0.555 120.847 120.200 0.153 0.000 2.586 67 E HA -0.208 4.142 4.350 -0.000 0.000 0.259 67 E C 0.375 177.070 176.600 0.159 0.000 1.107 67 E CA 0.210 56.688 56.400 0.130 0.000 0.754 67 E CB -1.541 28.223 29.700 0.106 0.000 1.335 67 E HN 0.483 nan 8.360 nan 0.000 0.411 68 L N -0.376 120.971 121.223 0.207 0.000 2.607 68 L HA 0.296 4.636 4.340 -0.000 0.000 0.228 68 L C 0.702 177.751 176.870 0.299 0.000 1.123 68 L CA 0.284 55.272 54.840 0.247 0.000 0.890 68 L CB 0.221 42.465 42.059 0.308 0.000 1.103 68 L HN 0.081 nan 8.230 nan 0.000 0.468 69 L N 0.140 121.492 121.223 0.216 0.000 2.409 69 L HA 0.528 4.868 4.340 -0.000 0.000 0.262 69 L C -2.299 174.657 176.870 0.144 0.000 0.992 69 L CA -1.775 53.190 54.840 0.207 0.000 0.817 69 L CB 2.700 44.833 42.059 0.122 0.000 1.350 69 L HN -0.209 nan 8.230 nan 0.000 0.411 70 P HA 0.057 nan 4.420 nan 0.000 0.275 70 P C -0.890 176.473 177.300 0.106 0.000 1.266 70 P CA -0.552 62.623 63.100 0.125 0.000 0.793 70 P CB 0.415 32.207 31.700 0.154 0.000 1.074 71 N N 1.853 120.620 118.700 0.110 0.000 2.417 71 N HA -0.037 4.703 4.740 -0.000 0.000 0.272 71 N C -1.301 174.298 175.510 0.148 0.000 1.304 71 N CA -1.297 51.816 53.050 0.105 0.000 0.906 71 N CB -0.173 38.425 38.487 0.184 0.000 1.135 71 N HN 0.187 nan 8.380 nan 0.000 0.483 72 P HA -0.105 nan 4.420 nan 0.000 0.222 72 P C 0.554 178.080 177.300 0.378 0.000 1.147 72 P CA 1.070 64.218 63.100 0.081 0.000 0.790 72 P CB 0.005 31.632 31.700 -0.122 0.000 0.780 73 F N -2.295 117.843 119.950 0.313 0.000 2.776 73 F HA 0.178 4.705 4.527 -0.000 0.000 0.300 73 F C 1.177 177.297 175.800 0.534 0.000 1.116 73 F CA -1.294 56.979 58.000 0.455 0.000 1.375 73 F CB -1.339 37.889 39.000 0.381 0.000 1.109 73 F HN -0.116 nan 8.300 nan 0.000 0.585 74 Y N 0.683 121.306 120.300 0.537 0.000 2.313 74 Y HA 0.492 5.041 4.550 -0.000 0.000 0.332 74 Y C 1.172 177.344 175.900 0.455 0.000 1.071 74 Y CA 0.081 58.455 58.100 0.457 0.000 1.169 74 Y CB 0.533 39.178 38.460 0.309 0.000 1.192 74 Y HN 0.288 nan 8.280 nan 0.000 0.487 75 G N 4.980 113.551 108.800 -0.382 0.000 2.651 75 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.315 75 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.315 75 G C 0.471 175.534 174.900 0.272 0.000 1.258 75 G CA 0.763 45.795 45.100 -0.114 0.000 1.002 75 G HN 0.613 nan 8.290 nan 0.000 0.551 76 M N 2.046 121.787 119.600 0.235 0.000 2.551 76 M HA 0.205 4.684 4.480 -0.000 0.000 0.252 76 M C 1.563 177.986 176.300 0.205 0.000 1.219 76 M CA -0.066 55.355 55.300 0.202 0.000 0.978 76 M CB -0.443 32.252 32.600 0.158 0.000 1.533 76 M HN 0.408 nan 8.290 nan 0.000 0.474 77 N N 1.326 120.184 118.700 0.264 0.000 2.453 77 N HA -0.152 4.588 4.740 -0.000 0.000 0.183 77 N C 1.552 177.172 175.510 0.183 0.000 1.041 77 N CA 0.705 53.902 53.050 0.244 0.000 0.900 77 N CB -0.067 38.599 38.487 0.299 0.000 0.961 77 N HN 0.535 nan 8.380 nan 0.000 0.443 78 E N 1.307 121.597 120.200 0.150 0.000 2.097 78 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 78 E C 1.757 178.399 176.600 0.070 0.000 1.000 78 E CA 1.190 57.629 56.400 0.065 0.000 0.804 78 E CB 0.058 29.752 29.700 -0.009 0.000 0.740 78 E HN 0.226 nan 8.360 nan 0.000 0.454 79 K N 0.413 120.867 120.400 0.090 0.000 2.147 79 K HA -0.164 4.156 4.320 -0.000 0.000 0.205 79 K C 1.771 178.455 176.600 0.140 0.000 1.049 79 K CA 1.371 57.716 56.287 0.096 0.000 0.936 79 K CB 0.079 32.633 32.500 0.090 0.000 0.722 79 K HN 0.018 nan 8.250 nan 0.000 0.446 80 K N 0.499 121.000 120.400 0.167 0.000 2.432 80 K HA -0.001 4.319 4.320 -0.000 0.000 0.196 80 K C 1.683 178.474 176.600 0.318 0.000 1.038 80 K CA 0.757 57.182 56.287 0.230 0.000 0.986 80 K CB 0.149 32.775 32.500 0.211 0.000 0.782 80 K HN 0.386 nan 8.250 nan 0.000 0.485 81 I N -2.981 117.705 120.570 0.193 0.000 4.082 81 I HA 0.079 4.249 4.170 -0.000 0.000 0.337 81 I C 1.060 177.123 176.117 -0.091 0.000 1.352 81 I CA -0.152 61.183 61.300 0.059 0.000 1.097 81 I CB 0.365 38.391 38.000 0.043 0.000 1.048 81 I HN -0.149 nan 8.210 nan 0.000 0.393 82 Q N 1.910 121.743 119.800 0.054 0.000 2.226 82 Q HA -0.137 4.203 4.340 -0.000 0.000 0.204 82 Q C 1.926 177.967 176.000 0.067 0.000 0.975 82 Q CA 1.898 57.733 55.803 0.054 0.000 0.866 82 Q CB -0.516 28.283 28.738 0.102 0.000 0.915 82 Q HN 0.922 nan 8.270 nan 0.000 0.440 83 W N 0.129 121.493 121.300 0.108 0.000 2.350 83 W HA -0.127 4.533 4.660 -0.000 0.000 0.289 83 W C 1.371 177.983 176.519 0.155 0.000 1.215 83 W CA 0.759 58.171 57.345 0.112 0.000 1.236 83 W CB -1.138 28.379 29.460 0.094 0.000 1.130 83 W HN -0.112 nan 8.180 nan 0.000 0.541 84 V N 2.829 122.365 119.914 -0.630 0.000 2.392 84 V HA -0.353 3.767 4.120 -0.000 0.000 0.249 84 V C 2.705 178.833 176.094 0.057 0.000 1.059 84 V CA 2.780 64.755 62.300 -0.542 0.000 1.051 84 V CB -1.183 29.991 31.823 -1.082 0.000 0.658 84 V HN 0.357 nan 8.190 nan 0.000 0.455 85 E N 0.196 120.418 120.200 0.037 0.000 2.338 85 E HA -0.195 4.155 4.350 -0.000 0.000 0.197 85 E C 1.471 178.169 176.600 0.163 0.000 1.007 85 E CA 1.204 57.669 56.400 0.109 0.000 0.849 85 E CB -0.322 29.410 29.700 0.053 0.000 0.774 85 E HN 0.587 nan 8.360 nan 0.000 0.506 86 N N 0.607 119.417 118.700 0.184 0.000 2.412 86 N HA 0.030 4.770 4.740 -0.000 0.000 0.184 86 N C -0.135 175.453 175.510 0.131 0.000 1.101 86 N CA 0.447 53.598 53.050 0.168 0.000 0.881 86 N CB 0.331 38.925 38.487 0.179 0.000 0.969 86 N HN 0.210 nan 8.380 nan 0.000 0.459 87 E N 0.828 121.105 120.200 0.129 0.000 2.227 87 E HA 0.244 4.593 4.350 -0.000 0.000 0.268 87 E C -0.545 175.906 176.600 -0.249 0.000 0.990 87 E CA -0.417 55.905 56.400 -0.130 0.000 0.856 87 E CB 1.159 30.653 29.700 -0.345 0.000 1.159 87 E HN 0.008 nan 8.360 nan 0.000 0.401 88 D N 0.314 120.478 120.400 -0.392 0.000 2.277 88 D HA 0.408 5.048 4.640 -0.000 0.000 0.250 88 D C -0.599 175.242 176.300 -0.765 0.000 1.032 88 D CA -0.069 53.718 54.000 -0.356 0.000 0.947 88 D CB 0.652 41.320 40.800 -0.219 0.000 1.159 88 D HN 0.208 nan 8.370 nan 0.000 0.460 89 W N 0.253 121.465 121.300 -0.147 0.000 2.998 89 W HA 0.349 5.009 4.660 -0.000 0.000 0.335 89 W C -0.061 176.474 176.519 0.026 0.000 1.110 89 W CA -0.713 56.612 57.345 -0.033 0.000 1.230 89 W CB 1.483 31.016 29.460 0.122 0.000 1.405 89 W HN 0.058 nan 8.180 nan 0.000 0.493 90 E N 1.639 121.946 120.200 0.178 0.000 2.227 90 E HA 0.519 4.869 4.350 -0.000 0.000 0.268 90 E C -1.590 175.262 176.600 0.421 0.000 0.907 90 E CA -1.154 55.438 56.400 0.319 0.000 0.786 90 E CB 2.447 32.282 29.700 0.226 0.000 1.191 90 E HN 0.357 nan 8.360 nan 0.000 0.411 91 Y N 0.795 121.518 120.300 0.705 0.000 2.499 91 Y HA 0.462 5.012 4.550 -0.000 0.000 0.347 91 Y C -0.127 176.143 175.900 0.617 0.000 0.987 91 Y CA -0.916 57.652 58.100 0.779 0.000 1.044 91 Y CB 2.032 40.946 38.460 0.757 0.000 1.245 91 Y HN 0.460 nan 8.280 nan 0.000 0.461 92 R N 0.443 121.268 120.500 0.541 0.000 2.707 92 R HA 0.869 5.209 4.340 -0.000 0.000 0.272 92 R C -1.806 174.369 176.300 -0.208 0.000 1.011 92 R CA -0.810 55.192 56.100 -0.163 0.000 0.893 92 R CB 2.368 31.968 30.300 -1.167 0.000 1.233 92 R HN 0.618 nan 8.270 nan 0.000 0.464 93 T N 0.086 114.343 114.554 -0.494 0.000 2.843 93 T HA 0.555 4.905 4.350 -0.000 0.000 0.302 93 T C -1.445 173.113 174.700 -0.236 0.000 1.232 93 T CA -0.386 61.391 62.100 -0.539 0.000 1.009 93 T CB 1.720 69.844 68.868 -1.239 0.000 1.254 93 T HN 0.840 nan 8.240 nan 0.000 0.504 94 S N 1.563 117.184 115.700 -0.131 0.000 2.568 94 S HA 0.952 5.422 4.470 -0.000 0.000 0.293 94 S C -1.150 173.447 174.600 -0.005 0.000 1.089 94 S CA -0.792 57.346 58.200 -0.103 0.000 0.945 94 S CB 1.482 64.649 63.200 -0.055 0.000 1.077 94 S HN 0.926 nan 8.310 nan 0.000 0.485 95 F N -0.633 119.234 119.950 -0.138 0.000 2.654 95 F HA 0.725 5.252 4.527 -0.000 0.000 0.308 95 F C -1.524 174.235 175.800 -0.068 0.000 1.108 95 F CA -1.526 56.425 58.000 -0.082 0.000 0.957 95 F CB 0.787 39.756 39.000 -0.051 0.000 1.309 95 F HN 0.410 nan 8.300 nan 0.000 0.446 96 I N 3.200 123.847 120.570 0.128 0.000 2.385 96 I HA 0.525 4.695 4.170 -0.000 0.000 0.294 96 I C -0.364 175.841 176.117 0.147 0.000 0.988 96 I CA -0.965 60.358 61.300 0.038 0.000 1.265 96 I CB 1.422 39.435 38.000 0.021 0.000 1.388 96 I HN 0.528 nan 8.210 nan 0.000 0.480 97 V N 5.114 125.072 119.914 0.073 0.000 2.540 97 V HA 0.370 4.490 4.120 -0.000 0.000 0.302 97 V C 0.336 176.435 176.094 0.009 0.000 1.035 97 V CA -0.635 61.727 62.300 0.105 0.000 0.873 97 V CB 1.964 33.911 31.823 0.208 0.000 0.992 97 V HN 0.935 nan 8.190 nan 0.000 0.428 98 S N 2.380 118.051 115.700 -0.048 0.000 2.669 98 S HA 0.322 4.792 4.470 -0.000 0.000 0.270 98 S C 1.005 175.579 174.600 -0.044 0.000 1.225 98 S CA -0.098 58.069 58.200 -0.056 0.000 0.991 98 S CB 1.451 64.599 63.200 -0.086 0.000 0.987 98 S HN 0.815 nan 8.310 nan 0.000 0.552 99 E N 0.633 120.812 120.200 -0.034 0.000 2.070 99 E HA -0.239 4.111 4.350 -0.000 0.000 0.197 99 E C 1.548 178.129 176.600 -0.033 0.000 1.004 99 E CA 1.807 58.192 56.400 -0.024 0.000 0.805 99 E CB -0.210 29.477 29.700 -0.021 0.000 0.744 99 E HN 0.798 nan 8.360 nan 0.000 0.451 100 E N 0.504 120.672 120.200 -0.053 0.000 2.058 100 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 100 E C 2.133 178.683 176.600 -0.084 0.000 0.997 100 E CA 1.498 57.861 56.400 -0.063 0.000 0.801 100 E CB -0.136 29.519 29.700 -0.076 0.000 0.746 100 E HN 0.327 nan 8.360 nan 0.000 0.450 101 Q N -0.121 119.586 119.800 -0.154 0.000 2.079 101 Q HA -0.052 4.288 4.340 -0.000 0.000 0.200 101 Q C 2.190 178.204 176.000 0.023 0.000 0.974 101 Q CA 0.823 56.473 55.803 -0.254 0.000 0.840 101 Q CB -0.105 28.249 28.738 -0.640 0.000 0.898 101 Q HN 0.285 nan 8.270 nan 0.000 0.430 102 L N 0.865 122.111 121.223 0.039 0.000 2.265 102 L HA -0.150 4.190 4.340 -0.000 0.000 0.215 102 L C 1.176 178.075 176.870 0.049 0.000 1.117 102 L CA 0.561 55.451 54.840 0.083 0.000 0.782 102 L CB -0.153 41.939 42.059 0.054 0.000 0.914 102 L HN 0.278 nan 8.230 nan 0.000 0.441 103 N N -0.600 118.112 118.700 0.019 0.000 2.412 103 N HA 0.002 4.742 4.740 -0.000 0.000 0.184 103 N C 0.381 175.888 175.510 -0.004 0.000 1.101 103 N CA 0.207 53.259 53.050 0.003 0.000 0.881 103 N CB 0.140 38.622 38.487 -0.008 0.000 0.969 103 N HN 0.096 nan 8.380 nan 0.000 0.459 104 R N 1.134 121.641 120.500 0.012 0.000 2.738 104 R HA 0.020 4.360 4.340 -0.000 0.000 0.268 104 R C 0.724 176.969 176.300 -0.091 0.000 1.062 104 R CA -0.025 56.064 56.100 -0.019 0.000 1.158 104 R CB 0.268 30.594 30.300 0.043 0.000 1.046 104 R HN 0.104 nan 8.270 nan 0.000 0.493 105 D N 0.224 120.525 120.400 -0.165 0.000 2.144 105 D HA -0.031 4.609 4.640 -0.000 0.000 0.199 105 D C 0.910 177.025 176.300 -0.307 0.000 0.984 105 D CA 1.456 55.339 54.000 -0.195 0.000 0.834 105 D CB 0.138 40.836 40.800 -0.169 0.000 0.955 105 D HN 0.634 nan 8.370 nan 0.000 0.465 106 G N -0.599 107.821 108.800 -0.633 0.000 2.659 106 G HA2 0.643 4.603 3.960 -0.000 0.000 0.296 106 G HA3 0.643 4.603 3.960 -0.000 0.000 0.296 106 G C -1.249 173.336 174.900 -0.525 0.000 1.369 106 G CA -0.591 44.091 45.100 -0.697 0.000 0.937 106 G HN 0.020 nan 8.290 nan 0.000 0.485 107 I N 0.573 121.050 120.570 -0.155 0.000 2.548 107 I HA 0.307 4.476 4.170 -0.000 0.000 0.287 107 I C -0.695 175.397 176.117 -0.042 0.000 1.103 107 I CA -0.561 60.658 61.300 -0.135 0.000 1.049 107 I CB 2.439 40.319 38.000 -0.200 0.000 1.232 107 I HN 0.330 nan 8.210 nan 0.000 0.429 108 Q N 4.656 124.435 119.800 -0.034 0.000 2.309 108 Q HA 0.626 4.966 4.340 -0.000 0.000 0.264 108 Q C -1.294 174.621 176.000 -0.142 0.000 1.008 108 Q CA -0.979 54.807 55.803 -0.028 0.000 0.853 108 Q CB 3.382 32.127 28.738 0.011 0.000 1.314 108 Q HN 0.430 nan 8.270 nan 0.000 0.448 109 L N 3.503 124.663 121.223 -0.105 0.000 2.287 109 L HA 0.540 4.880 4.340 -0.000 0.000 0.287 109 L C -1.537 175.218 176.870 -0.192 0.000 1.022 109 L CA -0.091 54.633 54.840 -0.192 0.000 0.814 109 L CB 0.954 42.936 42.059 -0.128 0.000 1.217 109 L HN 0.559 nan 8.230 nan 0.000 0.420 110 I N 5.610 126.005 120.570 -0.293 0.000 2.389 110 I HA 0.347 4.517 4.170 -0.000 0.000 0.288 110 I C -1.080 174.848 176.117 -0.314 0.000 0.999 110 I CA -0.152 61.042 61.300 -0.176 0.000 1.129 110 I CB 1.284 39.224 38.000 -0.099 0.000 1.288 110 I HN 0.426 nan 8.210 nan 0.000 0.444 111 F N 4.901 124.896 119.950 0.074 0.000 2.347 111 F HA 0.329 4.856 4.527 0.000 0.000 0.366 111 F C 1.348 177.166 175.800 0.030 0.000 1.107 111 F CA -0.441 57.605 58.000 0.076 0.000 1.058 111 F CB 1.136 40.222 39.000 0.143 0.000 1.236 111 F HN 0.506 nan 8.300 nan 0.000 0.456 112 E N 2.078 122.333 120.200 0.092 0.000 2.347 112 E HA 0.142 4.492 4.350 -0.000 0.000 0.196 112 E C 0.763 177.290 176.600 -0.121 0.000 1.008 112 E CA 0.248 56.638 56.400 -0.016 0.000 0.852 112 E CB 0.315 29.973 29.700 -0.070 0.000 0.783 112 E HN 0.728 nan 8.360 nan 0.000 0.505 113 G N 0.565 109.318 108.800 -0.079 0.000 2.682 113 G HA2 0.441 4.401 3.960 -0.000 0.000 0.300 113 G HA3 0.441 4.401 3.960 -0.000 0.000 0.300 113 G C -1.516 173.509 174.900 0.208 0.000 1.396 113 G CA -0.778 44.246 45.100 -0.126 0.000 1.104 113 G HN -0.042 nan 8.290 nan 0.000 0.587 114 L N 2.193 123.682 121.223 0.443 0.000 2.376 114 L HA 0.479 4.819 4.340 -0.000 0.000 0.275 114 L C -1.209 175.902 176.870 0.402 0.000 0.987 114 L CA -0.915 54.174 54.840 0.415 0.000 0.828 114 L CB 2.475 44.616 42.059 0.137 0.000 1.249 114 L HN 0.512 nan 8.230 nan 0.000 0.409 115 D N 1.686 122.301 120.400 0.359 0.000 2.472 115 D HA 0.376 5.016 4.640 -0.000 0.000 0.234 115 D C 0.044 176.438 176.300 0.157 0.000 1.088 115 D CA -0.083 53.929 54.000 0.020 0.000 0.882 115 D CB 1.452 42.093 40.800 -0.266 0.000 1.037 115 D HN 0.502 nan 8.370 nan 0.000 0.520 116 T N 2.106 116.774 114.554 0.190 0.000 3.507 116 T HA 0.061 4.411 4.350 -0.000 0.000 0.280 116 T C -0.170 174.462 174.700 -0.114 0.000 0.976 116 T CA 0.069 62.122 62.100 -0.078 0.000 1.096 116 T CB -0.103 68.559 68.868 -0.343 0.000 1.168 116 T HN 0.212 nan 8.240 nan 0.000 0.463 117 Y N 2.824 123.250 120.300 0.210 0.000 2.627 117 Y HA 0.668 5.218 4.550 -0.000 0.000 0.347 117 Y C 0.272 176.285 175.900 0.189 0.000 1.099 117 Y CA -1.100 57.113 58.100 0.188 0.000 1.408 117 Y CB -0.021 38.570 38.460 0.218 0.000 1.247 117 Y HN 0.214 nan 8.280 nan 0.000 0.506 118 A N 2.652 125.506 122.820 0.056 0.000 2.343 118 A HA 0.571 4.891 4.320 -0.000 0.000 0.308 118 A C -1.058 176.396 177.584 -0.216 0.000 1.092 118 A CA -0.942 50.919 52.037 -0.293 0.000 0.751 118 A CB 0.705 19.262 19.000 -0.739 0.000 1.203 118 A HN 0.471 nan 8.150 nan 0.000 0.452 119 D N 1.883 122.213 120.400 -0.118 0.000 2.274 119 D HA 0.422 5.062 4.640 -0.000 0.000 0.239 119 D C -0.551 175.524 176.300 -0.375 0.000 1.104 119 D CA 0.145 54.018 54.000 -0.211 0.000 0.840 119 D CB 1.811 42.599 40.800 -0.020 0.000 1.100 119 D HN 0.150 nan 8.370 nan 0.000 0.477 120 V N 3.848 123.457 119.914 -0.508 0.000 2.347 120 V HA 0.266 4.386 4.120 -0.000 0.000 0.280 120 V C -0.780 175.083 176.094 -0.385 0.000 1.021 120 V CA -0.681 61.427 62.300 -0.321 0.000 0.847 120 V CB 0.376 32.013 31.823 -0.310 0.000 0.990 120 V HN 0.356 nan 8.190 nan 0.000 0.444 121 Y N 5.205 125.609 120.300 0.173 0.000 2.352 121 Y HA 0.733 5.283 4.550 -0.000 0.000 0.339 121 Y C -0.274 175.764 175.900 0.229 0.000 0.992 121 Y CA -0.981 57.224 58.100 0.175 0.000 1.100 121 Y CB 1.891 40.446 38.460 0.158 0.000 1.192 121 Y HN 0.507 nan 8.280 nan 0.000 0.458 122 L N 4.650 126.069 121.223 0.327 0.000 2.404 122 L HA 0.522 4.862 4.340 -0.000 0.000 0.272 122 L C -0.624 176.366 176.870 0.200 0.000 0.980 122 L CA -0.641 54.364 54.840 0.275 0.000 0.836 122 L CB 0.956 43.167 42.059 0.254 0.000 1.238 122 L HN 0.726 nan 8.230 nan 0.000 0.408 123 N N 4.296 123.101 118.700 0.175 0.000 2.727 123 N HA -0.203 4.537 4.740 -0.000 0.000 0.249 123 N C 0.994 176.563 175.510 0.098 0.000 1.048 123 N CA 1.455 54.573 53.050 0.114 0.000 0.714 123 N CB -1.188 37.338 38.487 0.065 0.000 0.959 123 N HN 1.300 nan 8.380 nan 0.000 0.544 124 G N -1.910 106.953 108.800 0.105 0.000 2.179 124 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.260 124 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.260 124 G C 0.036 175.015 174.900 0.131 0.000 0.977 124 G CA 0.653 45.798 45.100 0.074 0.000 0.641 124 G HN 0.925 nan 8.290 nan 0.000 0.533 125 S N -0.125 115.678 115.700 0.172 0.000 2.442 125 S HA 0.637 5.106 4.470 -0.000 0.000 0.297 125 S C 0.105 174.833 174.600 0.214 0.000 1.131 125 S CA -0.609 57.688 58.200 0.162 0.000 1.092 125 S CB 1.058 64.325 63.200 0.113 0.000 0.998 125 S HN 1.180 nan 8.310 nan 0.000 0.478 126 L N 7.231 128.561 121.223 0.178 0.000 2.407 126 L HA 0.330 4.670 4.340 -0.000 0.000 0.282 126 L C 0.569 177.403 176.870 -0.061 0.000 1.110 126 L CA 0.449 55.266 54.840 -0.038 0.000 0.863 126 L CB -0.143 41.908 42.059 -0.012 0.000 1.207 126 L HN 0.852 nan 8.230 nan 0.000 0.454 127 L N 4.892 126.060 121.223 -0.091 0.000 2.209 127 L HA 0.157 4.496 4.340 -0.000 0.000 0.207 127 L C -0.030 176.790 176.870 -0.083 0.000 1.094 127 L CA 0.322 55.142 54.840 -0.033 0.000 0.790 127 L CB -0.077 42.003 42.059 0.036 0.000 0.932 127 L HN 0.582 nan 8.230 nan 0.000 0.447 128 L N -0.518 120.594 121.223 -0.185 0.000 2.666 128 L HA 0.301 4.641 4.340 -0.000 0.000 0.259 128 L C -1.454 175.244 176.870 -0.287 0.000 0.919 128 L CA -0.421 54.278 54.840 -0.236 0.000 0.927 128 L CB 1.608 43.465 42.059 -0.338 0.000 1.423 128 L HN -0.118 nan 8.230 nan 0.000 0.426 129 K N 4.465 124.737 120.400 -0.213 0.000 2.354 129 K HA 0.764 5.084 4.320 -0.000 0.000 0.257 129 K C -0.328 176.170 176.600 -0.170 0.000 1.062 129 K CA -0.376 55.820 56.287 -0.151 0.000 0.971 129 K CB 1.392 33.857 32.500 -0.057 0.000 1.305 129 K HN 0.706 nan 8.250 nan 0.000 0.449 130 A N 2.430 125.084 122.820 -0.278 0.000 2.351 130 A HA 0.215 4.534 4.320 -0.000 0.000 0.257 130 A C 0.173 177.723 177.584 -0.056 0.000 1.087 130 A CA -0.236 51.598 52.037 -0.339 0.000 0.798 130 A CB 0.251 18.943 19.000 -0.513 0.000 1.033 130 A HN 0.821 nan 8.150 nan 0.000 0.488 131 D N -0.223 120.197 120.400 0.033 0.000 2.783 131 D HA 0.089 4.729 4.640 -0.000 0.000 0.306 131 D C -0.781 175.458 176.300 -0.101 0.000 1.633 131 D CA -0.277 53.690 54.000 -0.054 0.000 0.796 131 D CB -0.428 40.457 40.800 0.142 0.000 1.230 131 D HN 0.278 nan 8.370 nan 0.000 0.441 132 N N 1.008 119.699 118.700 -0.015 0.000 2.616 132 N HA 0.108 4.848 4.740 -0.000 0.000 0.281 132 N C 0.268 175.731 175.510 -0.079 0.000 1.145 132 N CA -0.283 52.729 53.050 -0.064 0.000 0.919 132 N CB 1.557 40.053 38.487 0.016 0.000 1.509 132 N HN 0.053 nan 8.380 nan 0.000 0.537 133 M N 2.516 121.919 119.600 -0.328 0.000 2.267 133 M HA -0.039 4.441 4.480 -0.000 0.000 0.263 133 M C -0.105 176.202 176.300 0.012 0.000 1.063 133 M CA 1.780 56.901 55.300 -0.299 0.000 1.090 133 M CB -0.004 32.094 32.600 -0.836 0.000 1.392 133 M HN 0.394 nan 8.290 nan 0.000 0.422 134 F N -0.627 119.460 119.950 0.228 0.000 2.693 134 F HA 0.263 4.789 4.527 -0.000 0.000 0.303 134 F C 0.191 176.008 175.800 0.028 0.000 1.097 134 F CA -0.366 57.813 58.000 0.298 0.000 1.330 134 F CB -0.433 38.781 39.000 0.357 0.000 1.067 134 F HN -0.224 nan 8.300 nan 0.000 0.565 135 V N -0.213 119.638 119.914 -0.105 0.000 2.513 135 V HA 0.707 4.827 4.120 -0.000 0.000 0.299 135 V C 0.562 176.024 176.094 -1.054 0.000 1.035 135 V CA -1.073 60.779 62.300 -0.747 0.000 0.889 135 V CB 1.385 32.755 31.823 -0.755 0.000 0.988 135 V HN 0.177 nan 8.190 nan 0.000 0.440 136 G N 2.763 110.480 108.800 -1.804 0.000 2.356 136 G HA2 0.557 4.516 3.960 -0.000 0.000 0.298 136 G HA3 0.557 4.516 3.960 -0.000 0.000 0.298 136 G C -1.437 173.076 174.900 -0.645 0.000 1.145 136 G CA -0.170 44.414 45.100 -0.860 0.000 0.850 136 G HN 0.518 nan 8.290 nan 0.000 0.487 137 Y N 0.313 120.575 120.300 -0.064 0.000 2.352 137 Y HA 0.483 5.033 4.550 -0.000 0.000 0.339 137 Y C 0.644 176.593 175.900 0.082 0.000 0.992 137 Y CA -0.572 57.541 58.100 0.023 0.000 1.100 137 Y CB 2.630 41.140 38.460 0.083 0.000 1.192 137 Y HN 0.377 nan 8.280 nan 0.000 0.458 138 T N 5.513 120.183 114.554 0.194 0.000 2.791 138 T HA 0.586 4.936 4.350 -0.000 0.000 0.288 138 T C -0.703 174.072 174.700 0.125 0.000 0.999 138 T CA -0.619 61.553 62.100 0.120 0.000 0.952 138 T CB 0.191 69.097 68.868 0.064 0.000 0.938 138 T HN 0.370 nan 8.240 nan 0.000 0.444 139 L N 6.059 127.350 121.223 0.112 0.000 2.349 139 L HA 0.467 4.807 4.340 -0.000 0.000 0.278 139 L C -2.248 174.666 176.870 0.074 0.000 0.996 139 L CA -2.473 52.433 54.840 0.109 0.000 0.825 139 L CB 2.025 44.172 42.059 0.148 0.000 1.243 139 L HN 0.329 nan 8.230 nan 0.000 0.412 140 P HA 0.056 nan 4.420 nan 0.000 0.276 140 P C 0.238 177.573 177.300 0.057 0.000 1.243 140 P CA -0.102 63.039 63.100 0.067 0.000 0.768 140 P CB 1.597 33.339 31.700 0.071 0.000 0.856 141 V N 0.661 120.600 119.914 0.041 0.000 3.382 141 V HA 0.183 4.303 4.120 -0.000 0.000 0.296 141 V C 1.930 178.052 176.094 0.047 0.000 1.529 141 V CA 0.129 62.460 62.300 0.052 0.000 1.048 141 V CB -0.396 31.468 31.823 0.068 0.000 0.878 141 V HN 0.347 nan 8.190 nan 0.000 0.442 142 K N 2.601 123.017 120.400 0.027 0.000 2.074 142 K HA -0.211 4.109 4.320 -0.000 0.000 0.209 142 K C 2.212 178.837 176.600 0.042 0.000 1.048 142 K CA 2.379 58.684 56.287 0.031 0.000 0.926 142 K CB -0.218 32.283 32.500 0.001 0.000 0.713 142 K HN 0.737 nan 8.250 nan 0.000 0.444 143 S N 0.022 115.744 115.700 0.037 0.000 2.481 143 S HA -0.073 4.397 4.470 -0.000 0.000 0.231 143 S C 1.814 176.440 174.600 0.043 0.000 0.996 143 S CA 0.889 59.110 58.200 0.035 0.000 0.942 143 S CB -0.096 63.122 63.200 0.031 0.000 0.768 143 S HN 0.304 nan 8.310 nan 0.000 0.520 144 V N -1.636 118.311 119.914 0.055 0.000 3.644 144 V HA 0.466 4.586 4.120 -0.000 0.000 0.267 144 V C 0.694 176.826 176.094 0.063 0.000 1.277 144 V CA -0.388 61.949 62.300 0.062 0.000 1.096 144 V CB -0.738 31.131 31.823 0.078 0.000 0.828 144 V HN 0.385 nan 8.190 nan 0.000 0.446 145 L N 1.549 122.816 121.223 0.074 0.000 2.464 145 L HA 0.455 4.795 4.340 -0.000 0.000 0.264 145 L C 0.521 177.415 176.870 0.040 0.000 1.199 145 L CA 0.080 54.966 54.840 0.076 0.000 0.818 145 L CB 0.553 42.696 42.059 0.141 0.000 1.102 145 L HN 0.264 nan 8.230 nan 0.000 0.473 146 R N 0.923 121.425 120.500 0.004 0.000 2.744 146 R HA 0.343 4.683 4.340 -0.000 0.000 0.279 146 R C -0.945 175.344 176.300 -0.019 0.000 0.977 146 R CA -1.094 54.998 56.100 -0.014 0.000 0.906 146 R CB 2.141 32.415 30.300 -0.043 0.000 1.197 146 R HN 0.398 nan 8.270 nan 0.000 0.463 147 K N 1.137 121.531 120.400 -0.011 0.000 2.448 147 K HA 0.232 4.552 4.320 -0.000 0.000 0.278 147 K C 0.440 177.015 176.600 -0.043 0.000 1.009 147 K CA 1.296 57.574 56.287 -0.017 0.000 0.995 147 K CB 0.406 32.899 32.500 -0.012 0.000 0.917 147 K HN 0.742 nan 8.250 nan 0.000 0.481 148 G N 2.895 111.665 108.800 -0.050 0.000 2.481 148 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.230 148 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.230 148 G C -0.835 173.981 174.900 -0.140 0.000 1.210 148 G CA -0.036 45.021 45.100 -0.071 0.000 0.936 148 G HN 0.714 nan 8.290 nan 0.000 0.583 149 E N 1.202 121.295 120.200 -0.178 0.000 2.360 149 E HA 0.502 4.852 4.350 -0.000 0.000 0.269 149 E C 0.127 176.394 176.600 -0.556 0.000 1.022 149 E CA -0.109 56.091 56.400 -0.335 0.000 0.887 149 E CB 0.289 29.832 29.700 -0.262 0.000 0.990 149 E HN 0.492 nan 8.360 nan 0.000 0.426 150 N N 2.660 120.847 118.700 -0.855 0.000 2.225 150 N HA 0.259 4.999 4.740 -0.000 0.000 0.298 150 N C -1.369 173.527 175.510 -1.023 0.000 1.076 150 N CA -0.678 51.803 53.050 -0.949 0.000 0.792 150 N CB 1.252 38.990 38.487 -1.248 0.000 1.498 150 N HN 0.480 nan 8.380 nan 0.000 0.474 151 H N 1.550 120.485 119.070 -0.224 0.000 2.589 151 H HA 0.334 4.890 4.556 0.000 0.000 0.335 151 H C -0.758 174.656 175.328 0.144 0.000 1.019 151 H CA -0.546 55.486 56.048 -0.026 0.000 1.213 151 H CB 2.349 32.165 29.762 0.090 0.000 1.472 151 H HN 0.332 nan 8.280 nan 0.000 0.508 152 L N 4.362 125.752 121.223 0.279 0.000 2.313 152 L HA 0.385 4.725 4.340 -0.000 0.000 0.283 152 L C -1.611 175.481 176.870 0.369 0.000 1.013 152 L CA -0.492 54.564 54.840 0.361 0.000 0.816 152 L CB 0.638 42.898 42.059 0.335 0.000 1.236 152 L HN 0.470 nan 8.230 nan 0.000 0.419 153 Y N 5.009 125.523 120.300 0.356 0.000 2.442 153 Y HA 0.670 5.220 4.550 -0.000 0.000 0.344 153 Y C -0.474 175.722 175.900 0.494 0.000 0.976 153 Y CA -0.629 57.723 58.100 0.420 0.000 1.040 153 Y CB 2.137 40.807 38.460 0.349 0.000 1.228 153 Y HN 0.417 nan 8.280 nan 0.000 0.451 154 I N 3.699 124.654 120.570 0.641 0.000 2.533 154 I HA 0.224 4.394 4.170 -0.000 0.000 0.290 154 I C -1.528 174.826 176.117 0.395 0.000 1.056 154 I CA -0.968 60.560 61.300 0.380 0.000 1.057 154 I CB 2.080 40.211 38.000 0.218 0.000 1.240 154 I HN 0.539 nan 8.210 nan 0.000 0.423 155 Y N 6.376 126.738 120.300 0.104 0.000 2.356 155 Y HA 0.494 5.044 4.550 -0.000 0.000 0.334 155 Y C -1.133 174.670 175.900 -0.162 0.000 0.958 155 Y CA -0.577 57.582 58.100 0.098 0.000 1.196 155 Y CB 0.853 39.374 38.460 0.102 0.000 1.137 155 Y HN 0.344 nan 8.280 nan 0.000 0.485 156 F N 5.590 125.510 119.950 -0.050 0.000 2.350 156 F HA 0.250 4.777 4.527 -0.000 0.000 0.365 156 F C 0.418 176.234 175.800 0.028 0.000 1.122 156 F CA -0.547 57.507 58.000 0.091 0.000 1.139 156 F CB 0.202 39.317 39.000 0.192 0.000 1.220 156 F HN 0.450 nan 8.300 nan 0.000 0.499 157 H N 1.394 120.723 119.070 0.431 0.000 2.886 157 H HA -0.018 4.538 4.556 -0.000 0.000 0.329 157 H C 0.573 176.104 175.328 0.338 0.000 1.044 157 H CA -0.140 56.138 56.048 0.383 0.000 1.456 157 H CB 1.257 31.210 29.762 0.319 0.000 1.464 157 H HN 0.503 nan 8.280 nan 0.000 0.573 158 S N 4.687 120.601 115.700 0.356 0.000 2.575 158 S HA -0.031 4.439 4.470 -0.000 0.000 0.295 158 S C -1.187 173.586 174.600 0.288 0.000 1.267 158 S CA -1.145 57.228 58.200 0.289 0.000 1.074 158 S CB 0.539 63.859 63.200 0.201 0.000 0.829 158 S HN 0.533 nan 8.310 nan 0.000 0.497 159 P HA -0.028 nan 4.420 nan 0.000 0.229 159 P C 1.364 178.815 177.300 0.251 0.000 1.160 159 P CA 0.410 63.739 63.100 0.381 0.000 0.777 159 P CB 0.015 31.936 31.700 0.369 0.000 0.814 160 I N 0.643 121.318 120.570 0.174 0.000 2.141 160 I HA -0.093 4.077 4.170 -0.000 0.000 0.236 160 I C 2.631 178.790 176.117 0.070 0.000 1.071 160 I CA 1.268 62.632 61.300 0.107 0.000 1.345 160 I CB -1.484 36.567 38.000 0.084 0.000 1.066 160 I HN -0.025 nan 8.210 nan 0.000 0.406 161 R N 0.407 120.958 120.500 0.085 0.000 2.120 161 R HA -0.201 4.138 4.340 -0.000 0.000 0.234 161 R C 2.148 178.450 176.300 0.005 0.000 1.123 161 R CA 0.975 57.110 56.100 0.058 0.000 0.975 161 R CB -0.346 30.005 30.300 0.085 0.000 0.866 161 R HN 0.363 nan 8.270 nan 0.000 0.446 162 Q N 0.711 120.496 119.800 -0.025 0.000 2.124 162 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 162 Q C 1.599 177.469 176.000 -0.216 0.000 0.977 162 Q CA 2.244 57.925 55.803 -0.204 0.000 0.850 162 Q CB -0.034 28.413 28.738 -0.485 0.000 0.901 162 Q HN 0.408 nan 8.270 nan 0.000 0.429 163 T N -3.328 111.159 114.554 -0.112 0.000 3.054 163 T HA 0.220 4.569 4.350 -0.000 0.000 0.255 163 T C 1.578 176.220 174.700 -0.096 0.000 1.035 163 T CA -0.106 61.930 62.100 -0.107 0.000 0.941 163 T CB -0.074 68.818 68.868 0.040 0.000 1.026 163 T HN 0.199 nan 8.240 nan 0.000 0.533 164 L N 1.175 122.375 121.223 -0.038 0.000 2.042 164 L HA 0.027 4.367 4.340 -0.000 0.000 0.210 164 L C -0.411 176.460 176.870 0.002 0.000 1.076 164 L CA 1.381 56.230 54.840 0.016 0.000 0.749 164 L CB -1.383 40.694 42.059 0.031 0.000 0.893 164 L HN 0.244 nan 8.230 nan 0.000 0.432 165 P HA -0.182 nan 4.420 nan 0.000 0.219 165 P C 1.466 178.674 177.300 -0.154 0.000 1.150 165 P CA 1.157 64.207 63.100 -0.082 0.000 0.814 165 P CB 0.043 31.692 31.700 -0.084 0.000 0.787 166 Q N -1.211 118.444 119.800 -0.241 0.000 2.046 166 Q HA -0.218 4.122 4.340 -0.000 0.000 0.200 166 Q C 2.224 177.886 176.000 -0.565 0.000 0.975 166 Q CA 1.287 56.836 55.803 -0.423 0.000 0.836 166 Q CB -0.669 27.733 28.738 -0.561 0.000 0.896 166 Q HN 0.127 nan 8.270 nan 0.000 0.428 167 Y N 0.407 120.324 120.300 -0.638 0.000 2.128 167 Y HA -0.241 4.308 4.550 -0.000 0.000 0.284 167 Y C 2.038 177.828 175.900 -0.182 0.000 1.154 167 Y CA 1.788 59.666 58.100 -0.371 0.000 1.149 167 Y CB -0.622 37.764 38.460 -0.122 0.000 0.976 167 Y HN 0.221 nan 8.280 nan 0.000 0.505 168 A N -0.249 122.449 122.820 -0.203 0.000 1.940 168 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 168 A C 2.414 179.854 177.584 -0.239 0.000 1.176 168 A CA 2.262 54.168 52.037 -0.218 0.000 0.631 168 A CB -1.367 17.594 19.000 -0.065 0.000 0.814 168 A HN 0.628 nan 8.150 nan 0.000 0.446 169 S N -0.452 115.117 115.700 -0.218 0.000 2.515 169 S HA -0.098 4.372 4.470 -0.000 0.000 0.231 169 S C 1.528 176.021 174.600 -0.178 0.000 0.987 169 S CA 1.188 59.288 58.200 -0.166 0.000 0.936 169 S CB -0.504 62.614 63.200 -0.138 0.000 0.766 169 S HN 0.578 nan 8.310 nan 0.000 0.528 170 N N 1.370 119.903 118.700 -0.279 0.000 2.376 170 N HA 0.147 4.887 4.740 -0.000 0.000 0.177 170 N C 1.427 176.785 175.510 -0.253 0.000 1.024 170 N CA 1.193 54.077 53.050 -0.278 0.000 0.893 170 N CB -0.381 37.901 38.487 -0.341 0.000 0.980 170 N HN 0.580 nan 8.380 nan 0.000 0.439 171 G N -1.120 107.532 108.800 -0.247 0.000 2.184 171 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.264 171 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.264 171 G C 0.063 175.010 174.900 0.080 0.000 0.975 171 G CA 0.997 46.056 45.100 -0.069 0.000 0.642 171 G HN 0.570 nan 8.290 nan 0.000 0.536 172 F N -2.066 117.830 119.950 -0.091 0.000 2.741 172 F HA 0.754 5.281 4.527 -0.000 0.000 0.313 172 F C -1.050 174.792 175.800 0.070 0.000 1.153 172 F CA -1.835 56.169 58.000 0.006 0.000 0.931 172 F CB 0.846 39.891 39.000 0.075 0.000 1.335 172 F HN 0.011 nan 8.300 nan 0.000 0.460 173 N N 0.988 119.938 118.700 0.416 0.000 2.444 173 N HA 0.319 5.059 4.740 -0.000 0.000 0.262 173 N C -1.531 174.310 175.510 0.552 0.000 0.974 173 N CA -0.552 52.784 53.050 0.476 0.000 0.933 173 N CB 0.510 39.232 38.487 0.392 0.000 1.137 173 N HN 0.643 nan 8.380 nan 0.000 0.498 174 Y N 3.119 123.617 120.300 0.329 0.000 2.702 174 Y HA 0.095 4.645 4.550 -0.000 0.000 0.336 174 Y C -1.177 174.889 175.900 0.278 0.000 1.235 174 Y CA -0.927 57.300 58.100 0.211 0.000 1.492 174 Y CB 0.630 39.030 38.460 -0.101 0.000 1.308 174 Y HN 0.483 nan 8.280 nan 0.000 0.589 175 P HA 0.119 nan 4.420 nan 0.000 0.220 175 P C -0.920 176.441 177.300 0.103 0.000 1.806 175 P CA 0.082 63.324 63.100 0.236 0.000 0.976 175 P CB -0.336 31.377 31.700 0.021 0.000 1.952 176 A N 1.621 124.364 122.820 -0.128 0.000 2.910 176 A HA 0.195 4.514 4.320 -0.000 0.000 0.316 176 A C 1.164 178.380 177.584 -0.612 0.000 1.493 176 A CA -0.406 51.420 52.037 -0.352 0.000 1.150 176 A CB -0.301 18.463 19.000 -0.393 0.000 1.159 176 A HN 0.133 nan 8.150 nan 0.000 0.526 177 D N 0.986 121.220 120.400 -0.277 0.000 2.310 177 D HA -0.114 4.526 4.640 -0.000 0.000 0.212 177 D C 0.870 177.040 176.300 -0.217 0.000 0.965 177 D CA 0.746 54.625 54.000 -0.203 0.000 0.879 177 D CB 0.224 40.989 40.800 -0.059 0.000 0.921 177 D HN 0.545 nan 8.370 nan 0.000 0.510 178 N N 1.194 119.631 118.700 -0.439 0.000 2.515 178 N HA -0.089 4.650 4.740 -0.000 0.000 0.185 178 N C 0.210 175.396 175.510 -0.539 0.000 1.109 178 N CA 0.425 53.066 53.050 -0.681 0.000 0.903 178 N CB 0.236 37.684 38.487 -1.731 0.000 0.969 178 N HN 0.148 nan 8.380 nan 0.000 0.450 179 D N 0.569 120.766 120.400 -0.338 0.000 2.380 179 D HA 0.034 4.674 4.640 -0.000 0.000 0.230 179 D C -0.454 175.934 176.300 0.146 0.000 1.154 179 D CA -0.279 53.635 54.000 -0.143 0.000 0.859 179 D CB -0.069 40.609 40.800 -0.204 0.000 1.045 179 D HN 0.232 nan 8.370 nan 0.000 0.495 180 H N 4.327 123.444 119.070 0.079 0.000 2.799 180 H HA 0.144 4.700 4.556 -0.000 0.000 0.225 180 H C -0.054 175.384 175.328 0.182 0.000 1.904 180 H CA -0.249 55.849 56.048 0.085 0.000 1.344 180 H CB 0.081 29.847 29.762 0.007 0.000 1.744 180 H HN 0.324 nan 8.280 nan 0.000 0.542 181 H N 0.743 119.949 119.070 0.227 0.000 3.064 181 H HA -0.018 4.538 4.556 -0.000 0.000 0.352 181 H C 0.623 175.989 175.328 0.063 0.000 1.260 181 H CA -0.502 55.624 56.048 0.130 0.000 1.160 181 H CB 1.628 31.467 29.762 0.128 0.000 1.879 181 H HN 0.509 nan 8.280 nan 0.000 0.544 182 E N 2.390 122.597 120.200 0.012 0.000 2.097 182 E HA -0.126 4.224 4.350 -0.000 0.000 0.196 182 E C -0.468 176.066 176.600 -0.111 0.000 1.000 182 E CA 1.107 57.492 56.400 -0.025 0.000 0.804 182 E CB 0.232 29.893 29.700 -0.064 0.000 0.740 182 E HN 0.367 nan 8.360 nan 0.000 0.454 183 K N 0.415 120.885 120.400 0.117 0.000 2.240 183 K HA 0.230 4.549 4.320 -0.000 0.000 0.271 183 K C -1.099 175.333 176.600 -0.280 0.000 1.018 183 K CA -0.321 55.724 56.287 -0.403 0.000 0.874 183 K CB 1.074 33.181 32.500 -0.655 0.000 1.098 183 K HN 0.207 nan 8.250 nan 0.000 0.458 184 H N 3.671 122.652 119.070 -0.148 0.000 2.820 184 H HA 0.087 4.643 4.556 -0.000 0.000 0.248 184 H C 0.813 176.065 175.328 -0.128 0.000 1.714 184 H CA -0.366 55.627 56.048 -0.092 0.000 1.334 184 H CB 0.007 29.764 29.762 -0.008 0.000 1.693 184 H HN 0.380 nan 8.280 nan 0.000 0.548 185 L N 0.755 121.949 121.223 -0.049 0.000 2.395 185 L HA -0.110 4.229 4.340 -0.000 0.000 0.218 185 L C 2.381 179.196 176.870 -0.092 0.000 1.130 185 L CA 0.483 55.372 54.840 0.081 0.000 0.826 185 L CB -0.211 41.879 42.059 0.052 0.000 0.941 185 L HN 0.562 nan 8.230 nan 0.000 0.451 186 S N 0.447 115.807 115.700 -0.567 0.000 2.387 186 S HA -0.192 4.278 4.470 -0.000 0.000 0.230 186 S C 1.953 176.331 174.600 -0.371 0.000 1.035 186 S CA 1.410 59.022 58.200 -0.979 0.000 1.014 186 S CB -1.163 61.317 63.200 -1.200 0.000 0.836 186 S HN 0.376 nan 8.310 nan 0.000 0.466 187 V N -1.879 117.752 119.914 -0.472 0.000 2.759 187 V HA 0.083 4.203 4.120 -0.000 0.000 0.256 187 V C 1.937 177.763 176.094 -0.447 0.000 1.080 187 V CA 1.094 63.066 62.300 -0.547 0.000 1.101 187 V CB -1.504 29.633 31.823 -1.143 0.000 0.698 187 V HN 0.375 nan 8.190 nan 0.000 0.477 188 F N 1.287 121.179 119.950 -0.096 0.000 2.661 188 F HA 0.291 4.818 4.527 -0.000 0.000 0.298 188 F C 1.315 177.292 175.800 0.295 0.000 1.137 188 F CA 0.374 58.382 58.000 0.014 0.000 1.454 188 F CB -0.307 38.708 39.000 0.026 0.000 1.103 188 F HN 0.103 nan 8.300 nan 0.000 0.577 189 S N 0.498 116.458 115.700 0.433 0.000 2.502 189 S HA 0.433 4.903 4.470 -0.000 0.000 0.304 189 S C -0.029 174.767 174.600 0.325 0.000 1.097 189 S CA -0.880 57.575 58.200 0.424 0.000 1.045 189 S CB 1.344 64.802 63.200 0.429 0.000 1.019 189 S HN -0.075 nan 8.310 nan 0.000 0.481 190 R N 3.135 123.761 120.500 0.209 0.000 2.893 190 R HA 0.292 4.632 4.340 -0.000 0.000 0.243 190 R C -0.113 176.055 176.300 -0.220 0.000 1.481 190 R CA -0.003 56.174 56.100 0.127 0.000 1.250 190 R CB -0.905 29.470 30.300 0.124 0.000 1.213 190 R HN 0.558 nan 8.270 nan 0.000 0.609 191 K N -0.193 120.133 120.400 -0.123 0.000 2.542 191 K HA 0.438 4.758 4.320 -0.000 0.000 0.259 191 K C -1.031 175.592 176.600 0.039 0.000 0.932 191 K CA -0.678 55.431 56.287 -0.298 0.000 0.820 191 K CB 1.960 34.440 32.500 -0.032 0.000 1.345 191 K HN 0.365 nan 8.250 nan 0.000 0.432 192 A N 5.062 127.867 122.820 -0.025 0.000 2.558 192 A HA 0.068 4.388 4.320 -0.000 0.000 0.262 192 A C -1.917 175.855 177.584 0.313 0.000 1.049 192 A CA -0.539 51.677 52.037 0.298 0.000 0.804 192 A CB -0.441 18.701 19.000 0.236 0.000 0.957 192 A HN 0.639 nan 8.150 nan 0.000 0.520 193 P HA -0.235 nan 4.420 nan 0.000 0.216 193 P C 1.252 178.833 177.300 0.469 0.000 1.153 193 P CA 2.065 65.398 63.100 0.388 0.000 0.858 193 P CB -0.174 31.694 31.700 0.280 0.000 0.789 194 Y N -0.531 119.857 120.300 0.147 0.000 2.497 194 Y HA -0.106 4.444 4.550 -0.000 0.000 0.292 194 Y C 2.071 178.016 175.900 0.075 0.000 1.137 194 Y CA 0.908 59.091 58.100 0.139 0.000 1.285 194 Y CB -1.513 36.994 38.460 0.078 0.000 0.991 194 Y HN -0.032 nan 8.280 nan 0.000 0.556 195 S N -0.357 114.938 115.700 -0.674 0.000 2.419 195 S HA -0.257 4.213 4.470 -0.000 0.000 0.233 195 S C 1.198 175.504 174.600 -0.491 0.000 1.016 195 S CA 1.063 58.788 58.200 -0.792 0.000 0.974 195 S CB -1.264 61.511 63.200 -0.708 0.000 0.786 195 S HN 0.680 nan 8.310 nan 0.000 0.492 196 Y N 2.705 122.864 120.300 -0.235 0.000 2.529 196 Y HA 0.425 4.975 4.550 -0.000 0.000 0.290 196 Y C 1.540 177.278 175.900 -0.271 0.000 1.177 196 Y CA 0.174 58.174 58.100 -0.167 0.000 1.305 196 Y CB -0.303 38.115 38.460 -0.070 0.000 1.047 196 Y HN 0.606 nan 8.280 nan 0.000 0.522 197 G N -0.881 107.780 108.800 -0.231 0.000 2.515 197 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.686 197 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.686 197 G C -1.376 173.262 174.900 -0.437 0.000 1.274 197 G CA -0.789 43.983 45.100 -0.546 0.000 0.874 197 G HN 0.164 nan 8.290 nan 0.000 0.631 198 W N -0.237 120.613 121.300 -0.749 0.000 2.895 198 W HA 0.338 4.998 4.660 0.000 0.000 0.377 198 W C 0.026 176.356 176.519 -0.315 0.000 1.191 198 W CA 0.400 57.381 57.345 -0.606 0.000 1.179 198 W CB 1.055 29.896 29.460 -1.032 0.000 1.469 198 W HN 0.826 nan 8.180 nan 0.000 0.577 199 D N -0.397 119.903 120.400 -0.167 0.000 2.363 199 D HA -0.091 4.549 4.640 -0.000 0.000 0.226 199 D C 0.978 177.534 176.300 0.427 0.000 1.020 199 D CA 0.758 54.862 54.000 0.173 0.000 0.892 199 D CB -0.564 40.370 40.800 0.223 0.000 0.900 199 D HN 0.420 nan 8.370 nan 0.000 0.531 200 W N -1.426 120.219 121.300 0.575 0.000 2.304 200 W HA 0.579 5.239 4.660 -0.000 0.000 0.326 200 W C -0.198 176.621 176.519 0.500 0.000 0.920 200 W CA -0.763 56.848 57.345 0.444 0.000 1.518 200 W CB 0.156 29.883 29.460 0.446 0.000 1.112 200 W HN 0.002 nan 8.180 nan 0.000 0.528 201 G N 1.928 110.890 108.800 0.270 0.000 2.571 201 G HA2 0.531 4.491 3.960 -0.000 0.000 0.304 201 G HA3 0.531 4.491 3.960 -0.000 0.000 0.304 201 G C -1.412 173.255 174.900 -0.388 0.000 1.314 201 G CA -0.922 44.182 45.100 0.006 0.000 0.975 201 G HN 0.113 nan 8.290 nan 0.000 0.485 202 I N 0.565 120.424 120.570 -1.185 0.000 2.638 202 I HA 0.376 4.546 4.170 -0.000 0.000 0.286 202 I C 0.716 176.487 176.117 -0.577 0.000 1.088 202 I CA -0.866 59.749 61.300 -1.141 0.000 1.397 202 I CB 0.743 37.700 38.000 -1.738 0.000 1.414 202 I HN 0.437 nan 8.210 nan 0.000 0.566 203 R N 7.891 128.167 120.500 -0.373 0.000 2.216 203 R HA 0.375 4.715 4.340 -0.000 0.000 0.332 203 R C -0.981 175.125 176.300 -0.324 0.000 1.056 203 R CA -0.263 55.667 56.100 -0.284 0.000 0.901 203 R CB 0.504 30.738 30.300 -0.111 0.000 1.039 203 R HN 0.744 nan 8.270 nan 0.000 0.456 204 M N 5.850 125.195 119.600 -0.425 0.000 1.962 204 M HA 0.187 4.667 4.480 -0.000 0.000 0.227 204 M C -1.463 174.488 176.300 -0.581 0.000 0.890 204 M CA -0.537 54.437 55.300 -0.544 0.000 0.843 204 M CB 1.514 33.749 32.600 -0.608 0.000 1.894 204 M HN 0.295 nan 8.290 nan 0.000 0.359 205 V N 2.625 122.276 119.914 -0.438 0.000 2.287 205 V HA 0.154 4.274 4.120 -0.000 0.000 0.246 205 V C 0.669 176.609 176.094 -0.257 0.000 1.165 205 V CA 0.233 62.257 62.300 -0.460 0.000 1.088 205 V CB 0.162 31.707 31.823 -0.464 0.000 1.242 205 V HN 0.753 nan 8.190 nan 0.000 0.497 206 T N 3.279 117.634 114.554 -0.332 0.000 2.884 206 T HA 0.654 5.004 4.350 -0.000 0.000 0.277 206 T C 0.105 174.677 174.700 -0.213 0.000 0.976 206 T CA -0.180 61.815 62.100 -0.176 0.000 0.956 206 T CB 1.354 70.071 68.868 -0.252 0.000 1.113 206 T HN 0.632 nan 8.240 nan 0.000 0.554 207 S N -1.119 114.423 115.700 -0.263 0.000 2.625 207 S HA 0.873 5.343 4.470 -0.000 0.000 0.271 207 S C -0.227 173.991 174.600 -0.635 0.000 1.161 207 S CA -0.164 57.822 58.200 -0.356 0.000 0.820 207 S CB 1.619 64.681 63.200 -0.229 0.000 1.137 207 S HN 1.370 nan 8.310 nan 0.000 0.470 208 G N -0.389 107.772 108.800 -1.064 0.000 2.346 208 G HA2 0.181 4.141 3.960 -0.000 0.000 0.294 208 G HA3 0.181 4.141 3.960 -0.000 0.000 0.294 208 G C -1.811 172.743 174.900 -0.577 0.000 1.294 208 G CA -0.579 43.705 45.100 -1.359 0.000 0.962 208 G HN 0.957 nan 8.290 nan 0.000 0.508 209 V N 2.380 122.007 119.914 -0.479 0.000 2.299 209 V HA 0.267 4.387 4.120 -0.000 0.000 0.255 209 V C 1.312 177.367 176.094 -0.066 0.000 1.100 209 V CA 0.246 62.470 62.300 -0.127 0.000 0.938 209 V CB 0.028 31.655 31.823 -0.326 0.000 1.139 209 V HN 0.812 nan 8.190 nan 0.000 0.490 210 W N 5.108 126.339 121.300 -0.115 0.000 3.139 210 W HA 0.316 4.977 4.660 0.000 0.000 0.260 210 W C 0.302 176.821 176.519 -0.000 0.000 1.312 210 W CA -0.556 56.741 57.345 -0.079 0.000 1.606 210 W CB 0.207 29.634 29.460 -0.055 0.000 1.118 210 W HN 0.343 nan 8.180 nan 0.000 0.675 211 R N 0.056 120.301 120.500 -0.425 0.000 2.888 211 R HA 0.424 4.764 4.340 -0.000 0.000 0.264 211 R C -2.602 173.592 176.300 -0.176 0.000 1.045 211 R CA -2.123 53.739 56.100 -0.398 0.000 0.962 211 R CB 1.208 31.126 30.300 -0.636 0.000 1.210 211 R HN -0.401 nan 8.270 nan 0.000 0.479 212 P HA 0.017 nan 4.420 nan 0.000 0.267 212 P C -1.002 176.270 177.300 -0.046 0.000 1.200 212 P CA -0.081 62.984 63.100 -0.059 0.000 0.772 212 P CB 0.554 32.228 31.700 -0.045 0.000 0.855 213 V N 3.058 122.954 119.914 -0.030 0.000 2.459 213 V HA 0.484 4.604 4.120 -0.000 0.000 0.295 213 V C 0.191 176.208 176.094 -0.128 0.000 1.029 213 V CA -0.112 62.112 62.300 -0.128 0.000 0.874 213 V CB 1.752 33.573 31.823 -0.003 0.000 0.985 213 V HN 0.504 nan 8.190 nan 0.000 0.438 214 T N 5.524 119.951 114.554 -0.213 0.000 2.900 214 T HA 0.648 4.998 4.350 -0.000 0.000 0.295 214 T C -0.783 173.770 174.700 -0.246 0.000 1.044 214 T CA -0.450 61.549 62.100 -0.167 0.000 0.995 214 T CB 1.673 70.478 68.868 -0.105 0.000 1.072 214 T HN 0.372 nan 8.240 nan 0.000 0.473 215 L N 2.476 123.555 121.223 -0.241 0.000 2.313 215 L HA 0.631 4.971 4.340 -0.000 0.000 0.283 215 L C 0.062 176.745 176.870 -0.312 0.000 1.013 215 L CA -0.782 53.843 54.840 -0.358 0.000 0.816 215 L CB 1.598 43.373 42.059 -0.474 0.000 1.236 215 L HN 0.400 nan 8.230 nan 0.000 0.419 216 R N 3.354 123.654 120.500 -0.333 0.000 2.360 216 R HA 0.504 4.844 4.340 -0.000 0.000 0.318 216 R C -1.634 174.577 176.300 -0.148 0.000 0.950 216 R CA -0.412 55.611 56.100 -0.128 0.000 0.837 216 R CB 0.837 31.111 30.300 -0.044 0.000 1.165 216 R HN 0.315 nan 8.270 nan 0.000 0.458 217 F N 5.963 125.998 119.950 0.142 0.000 2.427 217 F HA 0.418 4.944 4.527 -0.000 0.000 0.346 217 F C -0.329 175.568 175.800 0.162 0.000 1.120 217 F CA -0.518 57.546 58.000 0.105 0.000 1.033 217 F CB 1.109 40.131 39.000 0.037 0.000 1.126 217 F HN 0.476 nan 8.300 nan 0.000 0.462 218 Y N -0.618 119.767 120.300 0.141 0.000 2.670 218 Y HA 0.646 5.196 4.550 -0.001 0.000 0.334 218 Y C -1.748 174.188 175.900 0.060 0.000 1.185 218 Y CA -1.591 56.557 58.100 0.081 0.000 1.053 218 Y CB 1.195 39.678 38.460 0.038 0.000 1.298 218 Y HN 0.332 nan 8.280 nan 0.000 0.459 219 D N 2.537 123.018 120.400 0.134 0.000 2.198 219 D HA 0.428 5.068 4.640 -0.000 0.000 0.247 219 D C 0.775 177.173 176.300 0.163 0.000 1.010 219 D CA -0.053 53.971 54.000 0.040 0.000 0.880 219 D CB 1.967 42.791 40.800 0.040 0.000 1.209 219 D HN 0.768 nan 8.370 nan 0.000 0.451 220 I N -0.620 119.998 120.570 0.080 0.000 4.624 220 I HA -0.374 3.796 4.170 -0.000 0.000 0.049 220 I C 0.510 176.748 176.117 0.202 0.000 0.621 220 I CA 1.672 63.036 61.300 0.107 0.000 0.836 220 I CB -1.912 36.135 38.000 0.078 0.000 0.765 220 I HN 0.642 nan 8.210 nan 0.000 0.159 221 A N 0.187 123.181 122.820 0.291 0.000 2.601 221 A HA 0.731 5.051 4.320 -0.000 0.000 0.291 221 A C -0.142 177.430 177.584 -0.020 0.000 1.075 221 A CA 0.360 52.507 52.037 0.183 0.000 0.671 221 A CB 1.440 20.476 19.000 0.060 0.000 1.277 221 A HN 0.618 nan 8.150 nan 0.000 0.417 222 T N -1.106 113.317 114.554 -0.219 0.000 2.932 222 T HA 0.734 5.084 4.350 -0.000 0.000 0.289 222 T C -0.335 174.268 174.700 -0.161 0.000 1.039 222 T CA -0.519 61.386 62.100 -0.324 0.000 1.024 222 T CB 1.020 69.571 68.868 -0.527 0.000 1.090 222 T HN 0.529 nan 8.240 nan 0.000 0.496 223 I N 2.697 123.187 120.570 -0.133 0.000 2.291 223 I HA 0.155 4.325 4.170 -0.000 0.000 0.292 223 I C 1.151 177.234 176.117 -0.057 0.000 1.064 223 I CA -0.357 60.896 61.300 -0.078 0.000 1.269 223 I CB 1.094 39.053 38.000 -0.069 0.000 1.418 223 I HN 0.772 nan 8.210 nan 0.000 0.485 224 S N 3.419 119.094 115.700 -0.041 0.000 2.406 224 S HA -0.064 4.406 4.470 -0.000 0.000 0.228 224 S C 0.279 174.890 174.600 0.019 0.000 1.020 224 S CA 0.710 58.897 58.200 -0.022 0.000 0.965 224 S CB -0.139 63.049 63.200 -0.020 0.000 0.798 224 S HN 0.768 nan 8.310 nan 0.000 0.488 225 D N -1.248 119.188 120.400 0.059 0.000 2.803 225 D HA 0.396 5.035 4.640 -0.000 0.000 0.218 225 D C -1.977 174.468 176.300 0.241 0.000 1.245 225 D CA -0.555 53.519 54.000 0.123 0.000 0.821 225 D CB 1.182 42.040 40.800 0.097 0.000 1.626 225 D HN -0.013 nan 8.370 nan 0.000 0.487 226 Y N 3.805 124.195 120.300 0.151 0.000 2.338 226 Y HA 0.548 5.098 4.550 0.000 0.000 0.333 226 Y C -2.258 173.805 175.900 0.270 0.000 0.968 226 Y CA -1.250 56.962 58.100 0.188 0.000 1.123 226 Y CB 0.773 39.319 38.460 0.142 0.000 1.165 226 Y HN 0.415 nan 8.280 nan 0.000 0.452 227 Y N 5.897 126.215 120.300 0.030 0.000 2.350 227 Y HA 0.665 5.215 4.550 0.000 0.000 0.338 227 Y C -1.640 174.077 175.900 -0.305 0.000 0.961 227 Y CA -1.577 56.388 58.100 -0.225 0.000 1.100 227 Y CB 1.570 39.977 38.460 -0.089 0.000 1.179 227 Y HN 0.352 nan 8.280 nan 0.000 0.454 228 V N 7.993 127.277 119.914 -1.050 0.000 2.334 228 V HA 0.404 4.524 4.120 -0.000 0.000 0.267 228 V C 0.034 175.409 176.094 -1.199 0.000 1.040 228 V CA -0.654 61.069 62.300 -0.962 0.000 0.866 228 V CB 0.587 31.807 31.823 -1.005 0.000 1.019 228 V HN 0.709 nan 8.190 nan 0.000 0.468 229 R N 3.943 123.875 120.500 -0.946 0.000 2.254 229 R HA 0.311 4.651 4.340 -0.000 0.000 0.318 229 R C 0.040 176.135 176.300 -0.341 0.000 1.031 229 R CA -0.399 55.301 56.100 -0.666 0.000 0.905 229 R CB 0.776 30.900 30.300 -0.293 0.000 1.050 229 R HN 0.767 nan 8.270 nan 0.000 0.456 230 Q N 5.120 124.766 119.800 -0.256 0.000 2.337 230 Q HA 0.102 4.441 4.340 -0.000 0.000 0.255 230 Q C 0.309 176.259 176.000 -0.084 0.000 0.997 230 Q CA -0.214 55.493 55.803 -0.160 0.000 0.925 230 Q CB 0.978 29.631 28.738 -0.142 0.000 1.212 230 Q HN 0.797 nan 8.270 nan 0.000 0.436 231 L N 2.204 123.389 121.223 -0.064 0.000 2.131 231 L HA 0.054 4.394 4.340 -0.000 0.000 0.206 231 L C 0.619 177.475 176.870 -0.022 0.000 1.087 231 L CA 0.471 55.290 54.840 -0.034 0.000 0.767 231 L CB -0.044 41.999 42.059 -0.026 0.000 0.917 231 L HN 0.654 nan 8.230 nan 0.000 0.441 232 S N -0.956 114.730 115.700 -0.023 0.000 2.552 232 S HA 0.596 5.066 4.470 -0.000 0.000 0.272 232 S C -1.319 173.275 174.600 -0.009 0.000 1.150 232 S CA -0.876 57.318 58.200 -0.011 0.000 0.849 232 S CB 2.306 65.503 63.200 -0.005 0.000 1.113 232 S HN -0.009 nan 8.310 nan 0.000 0.458 233 L N 1.946 123.171 121.223 0.003 0.000 2.476 233 L HA 0.835 5.175 4.340 -0.000 0.000 0.269 233 L C -0.377 176.507 176.870 0.024 0.000 0.965 233 L CA 0.377 55.225 54.840 0.013 0.000 0.845 233 L CB 1.894 43.965 42.059 0.020 0.000 1.259 233 L HN 1.236 nan 8.230 nan 0.000 0.403 234 T N -0.780 113.788 114.554 0.025 0.000 2.888 234 T HA 0.453 4.803 4.350 -0.000 0.000 0.288 234 T C 0.353 175.074 174.700 0.036 0.000 1.063 234 T CA -0.519 61.598 62.100 0.029 0.000 1.010 234 T CB 1.261 70.142 68.868 0.022 0.000 1.214 234 T HN 0.471 nan 8.240 nan 0.000 0.533 235 D N 0.306 120.728 120.400 0.036 0.000 2.221 235 D HA -0.038 4.602 4.640 -0.000 0.000 0.204 235 D C 1.614 177.937 176.300 0.038 0.000 0.982 235 D CA 1.235 55.259 54.000 0.040 0.000 0.857 235 D CB -0.005 40.815 40.800 0.033 0.000 0.934 235 D HN 0.670 nan 8.370 nan 0.000 0.475 236 E N -0.412 119.806 120.200 0.029 0.000 2.230 236 E HA 0.076 4.426 4.350 -0.000 0.000 0.192 236 E C 0.200 176.815 176.600 0.025 0.000 0.987 236 E CA 0.357 56.773 56.400 0.026 0.000 0.841 236 E CB 0.273 29.985 29.700 0.020 0.000 0.783 236 E HN 0.042 nan 8.360 nan 0.000 0.481 237 N N -1.000 117.713 118.700 0.022 0.000 2.647 237 N HA 0.422 5.162 4.740 -0.000 0.000 0.259 237 N C -2.018 173.497 175.510 0.008 0.000 1.098 237 N CA -0.232 52.827 53.050 0.014 0.000 0.984 237 N CB 1.389 39.882 38.487 0.011 0.000 1.683 237 N HN -0.020 nan 8.380 nan 0.000 0.501 238 A N 2.745 125.563 122.820 -0.004 0.000 2.288 238 A HA 0.740 5.060 4.320 -0.000 0.000 0.320 238 A C -0.435 177.141 177.584 -0.014 0.000 1.217 238 A CA -0.521 51.506 52.037 -0.017 0.000 0.840 238 A CB 0.514 19.487 19.000 -0.044 0.000 1.179 238 A HN 0.632 nan 8.150 nan 0.000 0.504 239 R N 2.270 122.761 120.500 -0.015 0.000 2.295 239 R HA 0.552 4.892 4.340 -0.000 0.000 0.324 239 R C -1.025 175.261 176.300 -0.024 0.000 0.968 239 R CA -0.564 55.530 56.100 -0.011 0.000 0.837 239 R CB 1.111 31.406 30.300 -0.008 0.000 1.133 239 R HN 0.487 nan 8.270 nan 0.000 0.450 240 L N 0.966 122.185 121.223 -0.008 0.000 2.319 240 L HA 0.512 4.852 4.340 -0.000 0.000 0.267 240 L C 0.136 176.997 176.870 -0.014 0.000 1.011 240 L CA -0.481 54.341 54.840 -0.029 0.000 0.818 240 L CB 1.785 43.869 42.059 0.041 0.000 1.316 240 L HN 0.528 nan 8.230 nan 0.000 0.432 241 S N 1.826 117.491 115.700 -0.058 0.000 2.659 241 S HA 0.471 4.941 4.470 -0.000 0.000 0.312 241 S C -0.711 173.876 174.600 -0.020 0.000 1.114 241 S CA -0.720 57.467 58.200 -0.020 0.000 1.063 241 S CB 0.375 63.562 63.200 -0.022 0.000 0.996 241 S HN 0.585 nan 8.310 nan 0.000 0.478 242 N N 4.521 123.273 118.700 0.086 0.000 2.406 242 N HA 0.191 4.931 4.740 -0.000 0.000 0.251 242 N C -0.841 174.789 175.510 0.201 0.000 1.069 242 N CA -0.047 53.132 53.050 0.215 0.000 0.947 242 N CB 1.052 39.727 38.487 0.313 0.000 1.111 242 N HN 0.695 nan 8.380 nan 0.000 0.497 243 E N 2.589 122.930 120.200 0.234 0.000 2.129 243 E HA 0.396 4.746 4.350 -0.000 0.000 0.268 243 E C -0.491 176.290 176.600 0.302 0.000 0.900 243 E CA -0.464 56.075 56.400 0.231 0.000 0.755 243 E CB 1.790 31.631 29.700 0.234 0.000 1.117 243 E HN 0.300 nan 8.360 nan 0.000 0.410 244 L N 3.972 125.316 121.223 0.202 0.000 2.346 244 L HA 0.565 4.905 4.340 -0.000 0.000 0.274 244 L C -0.459 176.474 176.870 0.106 0.000 1.007 244 L CA -0.789 54.139 54.840 0.147 0.000 0.818 244 L CB 1.521 43.597 42.059 0.029 0.000 1.284 244 L HN 0.442 nan 8.230 nan 0.000 0.424 245 I N 3.263 123.877 120.570 0.073 0.000 2.382 245 I HA 0.391 4.560 4.170 -0.000 0.000 0.286 245 I C -0.829 175.254 176.117 -0.058 0.000 1.002 245 I CA -0.667 60.614 61.300 -0.032 0.000 1.135 245 I CB 1.908 39.913 38.000 0.007 0.000 1.288 245 I HN 0.175 nan 8.210 nan 0.000 0.448 246 V N 5.321 125.174 119.914 -0.103 0.000 2.409 246 V HA 0.309 4.429 4.120 -0.000 0.000 0.291 246 V C -0.276 175.770 176.094 -0.080 0.000 1.020 246 V CA -0.713 61.540 62.300 -0.078 0.000 0.848 246 V CB 1.882 33.669 31.823 -0.061 0.000 0.990 246 V HN 0.666 nan 8.190 nan 0.000 0.430 247 N N 3.939 122.603 118.700 -0.060 0.000 2.457 247 N HA 0.251 4.991 4.740 -0.000 0.000 0.250 247 N C -0.455 175.064 175.510 0.014 0.000 0.982 247 N CA -0.220 52.812 53.050 -0.031 0.000 0.941 247 N CB 1.145 39.617 38.487 -0.024 0.000 1.120 247 N HN 0.790 nan 8.380 nan 0.000 0.505 248 Q N 3.691 123.507 119.800 0.025 0.000 2.256 248 Q HA 0.290 4.630 4.340 -0.000 0.000 0.254 248 Q C 0.047 176.093 176.000 0.076 0.000 0.916 248 Q CA -0.396 55.443 55.803 0.060 0.000 0.932 248 Q CB 1.030 29.788 28.738 0.034 0.000 1.207 248 Q HN 0.719 nan 8.270 nan 0.000 0.426 249 I N 4.449 125.088 120.570 0.114 0.000 3.968 249 I HA 0.069 4.239 4.170 -0.000 0.000 0.328 249 I C -0.188 175.952 176.117 0.038 0.000 1.290 249 I CA 0.121 61.476 61.300 0.091 0.000 1.163 249 I CB 1.066 39.142 38.000 0.126 0.000 1.024 249 I HN 0.517 nan 8.210 nan 0.000 0.413 250 V N -1.275 118.660 119.914 0.034 0.000 2.713 250 V HA 0.565 4.685 4.120 -0.000 0.000 0.307 250 V C -1.747 174.357 176.094 0.017 0.000 1.052 250 V CA -1.297 61.012 62.300 0.015 0.000 0.967 250 V CB 0.804 32.633 31.823 0.010 0.000 1.019 250 V HN 0.001 nan 8.190 nan 0.000 0.459 251 P HA 0.016 nan 4.420 nan 0.000 0.230 251 P C 0.331 177.638 177.300 0.011 0.000 1.168 251 P CA 0.619 63.726 63.100 0.012 0.000 0.793 251 P CB 0.221 31.926 31.700 0.010 0.000 0.851 252 Q N 0.938 120.744 119.800 0.010 0.000 2.317 252 Q HA 0.235 4.575 4.340 -0.000 0.000 0.229 252 Q C -0.419 175.588 176.000 0.010 0.000 0.984 252 Q CA -0.322 55.486 55.803 0.009 0.000 0.911 252 Q CB 1.000 29.742 28.738 0.007 0.000 1.217 252 Q HN 0.009 nan 8.270 nan 0.000 0.501 253 K N 0.992 121.397 120.400 0.009 0.000 2.350 253 K HA 0.318 4.638 4.320 -0.000 0.000 0.279 253 K C -0.383 176.223 176.600 0.009 0.000 1.027 253 K CA -0.174 56.118 56.287 0.009 0.000 0.969 253 K CB 0.601 33.106 32.500 0.008 0.000 0.954 253 K HN 0.478 nan 8.250 nan 0.000 0.474 254 I N 5.273 125.849 120.570 0.009 0.000 2.410 254 I HA 0.235 4.404 4.170 -0.000 0.000 0.286 254 I C -2.403 173.718 176.117 0.007 0.000 1.009 254 I CA -2.956 58.350 61.300 0.009 0.000 1.111 254 I CB 1.377 39.385 38.000 0.013 0.000 1.262 254 I HN 0.281 nan 8.210 nan 0.000 0.443 255 P HA 0.286 nan 4.420 nan 0.000 0.271 255 P C -0.532 176.770 177.300 0.003 0.000 1.233 255 P CA 0.106 63.209 63.100 0.004 0.000 0.764 255 P CB 0.933 32.634 31.700 0.003 0.000 0.825 256 A N 2.846 125.666 122.820 0.001 0.000 2.532 256 A HA 0.733 5.053 4.320 -0.000 0.000 0.290 256 A C -1.095 176.486 177.584 -0.006 0.000 1.143 256 A CA -0.570 51.465 52.037 -0.003 0.000 0.728 256 A CB 1.512 20.509 19.000 -0.004 0.000 1.317 256 A HN 0.454 nan 8.150 nan 0.000 0.414 257 E N 0.316 120.510 120.200 -0.011 0.000 2.246 257 E HA 0.547 4.897 4.350 -0.000 0.000 0.266 257 E C -1.708 174.878 176.600 -0.024 0.000 0.880 257 E CA -0.543 55.848 56.400 -0.014 0.000 0.762 257 E CB 1.924 31.617 29.700 -0.012 0.000 1.180 257 E HN 0.439 nan 8.360 nan 0.000 0.416 258 V N 4.780 124.678 119.914 -0.027 0.000 2.498 258 V HA 0.434 4.554 4.120 -0.000 0.000 0.279 258 V C 0.060 176.128 176.094 -0.044 0.000 1.048 258 V CA -0.219 62.055 62.300 -0.044 0.000 0.967 258 V CB 1.054 32.851 31.823 -0.044 0.000 0.988 258 V HN 0.636 nan 8.190 nan 0.000 0.473 259 R N 3.348 123.812 120.500 -0.060 0.000 2.561 259 R HA 0.737 5.077 4.340 -0.000 0.000 0.297 259 R C -1.642 174.618 176.300 -0.068 0.000 0.969 259 R CA -0.693 55.377 56.100 -0.050 0.000 0.879 259 R CB 2.422 32.697 30.300 -0.042 0.000 1.178 259 R HN 0.489 nan 8.270 nan 0.000 0.445 260 V N 2.987 122.873 119.914 -0.047 0.000 2.448 260 V HA 0.326 4.446 4.120 -0.000 0.000 0.295 260 V C -0.401 175.668 176.094 -0.043 0.000 1.025 260 V CA -0.881 61.398 62.300 -0.034 0.000 0.859 260 V CB 1.778 33.618 31.823 0.029 0.000 0.988 260 V HN 0.702 nan 8.190 nan 0.000 0.431 261 N N 3.801 122.470 118.700 -0.052 0.000 2.372 261 N HA 0.487 5.226 4.740 -0.000 0.000 0.285 261 N C -1.440 173.971 175.510 -0.165 0.000 1.008 261 N CA -0.235 52.766 53.050 -0.083 0.000 0.880 261 N CB 2.214 40.670 38.487 -0.050 0.000 1.239 261 N HN 0.387 nan 8.380 nan 0.000 0.484 262 V N 2.738 122.496 119.914 -0.262 0.000 2.370 262 V HA 0.446 4.566 4.120 -0.000 0.000 0.283 262 V C 0.071 176.064 176.094 -0.170 0.000 1.023 262 V CA -0.543 61.481 62.300 -0.461 0.000 0.857 262 V CB 0.939 32.335 31.823 -0.711 0.000 0.985 262 V HN 0.800 nan 8.190 nan 0.000 0.443 263 S N 5.185 120.843 115.700 -0.069 0.000 2.595 263 S HA 0.869 5.339 4.470 -0.000 0.000 0.281 263 S C -1.288 173.329 174.600 0.030 0.000 1.117 263 S CA -0.835 57.369 58.200 0.005 0.000 0.873 263 S CB 2.242 65.435 63.200 -0.012 0.000 1.108 263 S HN 0.608 nan 8.310 nan 0.000 0.477 264 L N 2.018 123.211 121.223 -0.051 0.000 2.372 264 L HA 0.575 4.915 4.340 -0.000 0.000 0.274 264 L C -0.293 176.503 176.870 -0.123 0.000 0.988 264 L CA 0.215 54.928 54.840 -0.211 0.000 0.833 264 L CB 0.345 42.138 42.059 -0.444 0.000 1.236 264 L HN 0.989 nan 8.230 nan 0.000 0.410 265 N N 4.272 122.915 118.700 -0.094 0.000 2.714 265 N HA -0.198 4.542 4.740 -0.000 0.000 0.252 265 N C 0.859 176.349 175.510 -0.034 0.000 1.014 265 N CA 0.884 53.901 53.050 -0.054 0.000 0.735 265 N CB -0.920 37.530 38.487 -0.062 0.000 0.924 265 N HN 1.267 nan 8.380 nan 0.000 0.540 266 G N -2.041 106.745 108.800 -0.024 0.000 2.157 266 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.248 266 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.248 266 G C 0.030 174.921 174.900 -0.014 0.000 0.979 266 G CA 0.472 45.564 45.100 -0.014 0.000 0.650 266 G HN 0.431 nan 8.290 nan 0.000 0.529 267 T N 1.460 116.002 114.554 -0.020 0.000 2.812 267 T HA 0.559 4.909 4.350 -0.000 0.000 0.282 267 T C 0.278 174.972 174.700 -0.011 0.000 0.990 267 T CA 0.040 62.131 62.100 -0.014 0.000 0.960 267 T CB 1.698 70.558 68.868 -0.014 0.000 0.948 267 T HN 0.202 nan 8.240 nan 0.000 0.438 268 T N 2.894 117.442 114.554 -0.011 0.000 2.888 268 T HA 0.147 4.497 4.350 -0.000 0.000 0.301 268 T C 1.412 176.110 174.700 -0.003 0.000 1.001 268 T CA -0.254 61.837 62.100 -0.014 0.000 1.147 268 T CB 0.710 69.567 68.868 -0.020 0.000 0.931 268 T HN 0.362 nan 8.240 nan 0.000 0.541 269 V N 2.300 122.214 119.914 0.001 0.000 2.690 269 V HA 0.224 4.344 4.120 -0.000 0.000 0.240 269 V C 1.199 177.287 176.094 -0.009 0.000 1.078 269 V CA 0.691 63.006 62.300 0.025 0.000 1.102 269 V CB 0.570 32.450 31.823 0.094 0.000 0.800 269 V HN 0.917 nan 8.190 nan 0.000 0.479 270 T N -0.323 114.201 114.554 -0.049 0.000 2.885 270 T HA 0.475 4.825 4.350 -0.000 0.000 0.322 270 T C -1.942 172.712 174.700 -0.076 0.000 1.387 270 T CA -0.506 61.560 62.100 -0.056 0.000 1.041 270 T CB 2.002 70.837 68.868 -0.056 0.000 1.287 270 T HN 0.369 nan 8.240 nan 0.000 0.491 271 E N 1.216 121.386 120.200 -0.050 0.000 2.314 271 E HA 0.643 4.993 4.350 -0.000 0.000 0.272 271 E C -1.187 175.395 176.600 -0.029 0.000 0.884 271 E CA -1.017 55.356 56.400 -0.045 0.000 0.753 271 E CB 2.538 32.217 29.700 -0.035 0.000 1.213 271 E HN 0.580 nan 8.360 nan 0.000 0.432 272 V N -0.685 119.214 119.914 -0.024 0.000 3.007 272 V HA 0.797 4.917 4.120 -0.000 0.000 0.311 272 V C -1.021 175.065 176.094 -0.013 0.000 1.120 272 V CA -0.958 61.335 62.300 -0.011 0.000 0.980 272 V CB 1.884 33.707 31.823 0.001 0.000 1.033 272 V HN 0.799 nan 8.190 nan 0.000 0.429 273 K N 2.007 122.402 120.400 -0.009 0.000 2.509 273 K HA 0.807 5.127 4.320 -0.000 0.000 0.266 273 K C -1.351 175.245 176.600 -0.006 0.000 0.987 273 K CA -0.848 55.432 56.287 -0.012 0.000 0.868 273 K CB 2.697 35.188 32.500 -0.014 0.000 1.421 273 K HN 0.859 nan 8.250 nan 0.000 0.444 274 Q N 1.411 121.206 119.800 -0.008 0.000 2.295 274 Q HA 0.144 4.484 4.340 -0.000 0.000 0.268 274 Q C -1.270 174.727 176.000 -0.005 0.000 1.010 274 Q CA -0.715 55.086 55.803 -0.003 0.000 0.856 274 Q CB 2.114 30.852 28.738 0.001 0.000 1.349 274 Q HN 0.602 nan 8.270 nan 0.000 0.412 275 Q N 1.676 121.475 119.800 -0.002 0.000 2.314 275 Q HA 0.395 4.735 4.340 -0.000 0.000 0.258 275 Q C -0.240 175.761 176.000 0.001 0.000 0.954 275 Q CA -0.029 55.773 55.803 -0.002 0.000 0.890 275 Q CB 1.604 30.342 28.738 -0.000 0.000 1.210 275 Q HN 0.520 nan 8.270 nan 0.000 0.410 276 V N -0.987 118.927 119.914 0.000 0.000 2.971 276 V HA 0.613 4.733 4.120 -0.000 0.000 0.309 276 V C -0.514 175.581 176.094 0.003 0.000 1.130 276 V CA -0.839 61.463 62.300 0.003 0.000 0.964 276 V CB 2.278 34.102 31.823 0.002 0.000 1.029 276 V HN 0.634 nan 8.190 nan 0.000 0.427 277 T N 5.675 120.233 114.554 0.006 0.000 2.753 277 T HA 0.599 4.949 4.350 -0.000 0.000 0.297 277 T C -0.112 174.592 174.700 0.006 0.000 0.981 277 T CA -0.166 61.938 62.100 0.006 0.000 0.956 277 T CB 0.517 69.389 68.868 0.007 0.000 0.936 277 T HN 0.638 nan 8.240 nan 0.000 0.463 278 L N 4.310 125.536 121.223 0.005 0.000 2.349 278 L HA 0.344 4.684 4.340 -0.000 0.000 0.275 278 L C 0.825 177.700 176.870 0.007 0.000 1.115 278 L CA -0.663 54.179 54.840 0.004 0.000 0.820 278 L CB 0.520 42.581 42.059 0.003 0.000 1.135 278 L HN 0.494 nan 8.230 nan 0.000 0.445 279 Q N 2.982 122.786 119.800 0.006 0.000 2.248 279 Q HA 0.510 4.850 4.340 -0.000 0.000 0.263 279 Q C -2.553 173.453 176.000 0.010 0.000 1.007 279 Q CA -2.483 53.325 55.803 0.010 0.000 0.877 279 Q CB 0.996 29.741 28.738 0.012 0.000 1.315 279 Q HN 0.276 nan 8.270 nan 0.000 0.454 280 P HA 0.018 nan 4.420 nan 0.000 0.265 280 P C 0.508 177.816 177.300 0.014 0.000 1.187 280 P CA 1.510 64.621 63.100 0.017 0.000 0.766 280 P CB 0.203 31.914 31.700 0.018 0.000 0.820 281 G N 2.872 111.682 108.800 0.016 0.000 2.499 281 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.232 281 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.232 281 G C -0.793 174.097 174.900 -0.016 0.000 1.251 281 G CA -0.691 44.414 45.100 0.009 0.000 0.917 281 G HN 0.503 nan 8.290 nan 0.000 0.580 282 I N 2.593 123.143 120.570 -0.033 0.000 2.474 282 I HA 0.341 4.511 4.170 -0.000 0.000 0.287 282 I C 0.289 176.315 176.117 -0.152 0.000 1.048 282 I CA -0.373 60.861 61.300 -0.110 0.000 1.383 282 I CB 0.670 38.603 38.000 -0.111 0.000 1.412 282 I HN 0.468 nan 8.210 nan 0.000 0.531 283 N N 5.274 123.834 118.700 -0.233 0.000 2.296 283 N HA 0.367 5.107 4.740 -0.000 0.000 0.294 283 N C -1.050 174.267 175.510 -0.321 0.000 1.033 283 N CA -0.654 52.288 53.050 -0.180 0.000 0.839 283 N CB 1.896 40.337 38.487 -0.077 0.000 1.395 283 N HN 0.522 nan 8.380 nan 0.000 0.479 284 H N 1.218 120.302 119.070 0.023 0.000 2.511 284 H HA 0.532 5.088 4.556 -0.000 0.000 0.328 284 H C -0.474 174.870 175.328 0.026 0.000 1.044 284 H CA -0.247 55.818 56.048 0.030 0.000 1.212 284 H CB 1.287 31.066 29.762 0.027 0.000 1.428 284 H HN 0.370 nan 8.280 nan 0.000 0.483 285 I N 2.623 123.266 120.570 0.122 0.000 2.533 285 I HA 0.318 4.487 4.170 -0.000 0.000 0.290 285 I C -0.454 175.716 176.117 0.088 0.000 1.056 285 I CA -0.378 60.968 61.300 0.077 0.000 1.057 285 I CB 2.301 40.319 38.000 0.031 0.000 1.240 285 I HN 0.516 nan 8.210 nan 0.000 0.423 286 T N 6.674 121.271 114.554 0.072 0.000 2.824 286 T HA 0.729 5.079 4.350 -0.000 0.000 0.282 286 T C -0.756 173.975 174.700 0.052 0.000 0.993 286 T CA -0.479 61.664 62.100 0.071 0.000 0.967 286 T CB 1.357 70.262 68.868 0.061 0.000 0.960 286 T HN 0.131 nan 8.240 nan 0.000 0.441 287 L N 5.206 126.465 121.223 0.059 0.000 2.406 287 L HA 0.488 4.828 4.340 -0.000 0.000 0.272 287 L C -2.485 174.418 176.870 0.055 0.000 0.980 287 L CA -1.935 52.934 54.840 0.047 0.000 0.831 287 L CB 1.705 43.789 42.059 0.042 0.000 1.253 287 L HN 0.359 nan 8.230 nan 0.000 0.406 288 P HA 0.528 nan 4.420 nan 0.000 0.274 288 P C -1.110 176.216 177.300 0.043 0.000 1.231 288 P CA -0.385 62.736 63.100 0.035 0.000 0.790 288 P CB 1.281 32.994 31.700 0.021 0.000 0.951 289 A N 1.492 124.343 122.820 0.051 0.000 2.587 289 A HA 0.664 4.984 4.320 -0.000 0.000 0.293 289 A C -1.288 176.316 177.584 0.034 0.000 1.087 289 A CA -0.542 51.521 52.037 0.045 0.000 0.692 289 A CB 1.443 20.485 19.000 0.070 0.000 1.291 289 A HN 0.513 nan 8.150 nan 0.000 0.407 290 E N -0.119 120.088 120.200 0.011 0.000 2.317 290 E HA 0.581 4.931 4.350 -0.000 0.000 0.270 290 E C -1.600 174.990 176.600 -0.016 0.000 0.885 290 E CA -0.903 55.499 56.400 0.002 0.000 0.760 290 E CB 2.699 32.400 29.700 0.002 0.000 1.227 290 E HN 0.332 nan 8.360 nan 0.000 0.434 291 V N 2.045 121.944 119.914 -0.026 0.000 2.407 291 V HA 0.266 4.386 4.120 -0.000 0.000 0.291 291 V C 0.002 176.093 176.094 -0.004 0.000 1.018 291 V CA -0.791 61.485 62.300 -0.040 0.000 0.842 291 V CB 1.435 33.172 31.823 -0.143 0.000 0.996 291 V HN 0.841 nan 8.190 nan 0.000 0.426 292 T N 1.294 115.859 114.554 0.018 0.000 2.897 292 T HA 0.345 4.695 4.350 -0.000 0.000 0.294 292 T C 0.387 175.117 174.700 0.050 0.000 1.004 292 T CA -0.320 61.797 62.100 0.028 0.000 1.106 292 T CB 0.093 68.976 68.868 0.025 0.000 0.949 292 T HN 0.789 nan 8.240 nan 0.000 0.520 293 N N 1.230 119.959 118.700 0.048 0.000 2.714 293 N HA -0.120 4.620 4.740 -0.000 0.000 0.253 293 N C -2.583 172.986 175.510 0.098 0.000 1.024 293 N CA -0.030 53.057 53.050 0.062 0.000 0.726 293 N CB -0.931 37.589 38.487 0.056 0.000 0.908 293 N HN 0.620 nan 8.380 nan 0.000 0.542 294 P HA 0.069 nan 4.420 nan 0.000 0.271 294 P C -0.126 177.300 177.300 0.209 0.000 1.218 294 P CA -0.052 63.141 63.100 0.156 0.000 0.780 294 P CB 0.932 32.671 31.700 0.065 0.000 0.901 295 V N 4.568 124.688 119.914 0.345 0.000 2.368 295 V HA 0.208 4.328 4.120 -0.000 0.000 0.266 295 V C 1.220 177.499 176.094 0.309 0.000 1.045 295 V CA -0.379 62.075 62.300 0.258 0.000 0.899 295 V CB -0.117 31.808 31.823 0.170 0.000 1.006 295 V HN 0.472 nan 8.190 nan 0.000 0.470 296 R N 2.880 123.514 120.500 0.224 0.000 2.641 296 R HA 0.166 4.506 4.340 -0.000 0.000 0.269 296 R C -0.456 176.020 176.300 0.294 0.000 1.074 296 R CA -0.448 55.806 56.100 0.257 0.000 1.133 296 R CB 1.004 31.427 30.300 0.205 0.000 1.029 296 R HN 0.761 nan 8.270 nan 0.000 0.488 297 W N 4.072 125.459 121.300 0.144 0.000 2.304 297 W HA 0.146 4.805 4.660 -0.000 0.000 0.313 297 W C -0.850 175.746 176.519 0.129 0.000 1.323 297 W CA -0.186 57.233 57.345 0.124 0.000 1.223 297 W CB 0.669 30.195 29.460 0.111 0.000 1.237 297 W HN 0.224 nan 8.180 nan 0.000 0.535 298 M N 9.089 128.499 119.600 -0.316 0.000 2.528 298 M HA 0.387 4.867 4.480 -0.000 0.000 0.321 298 M C -2.092 173.735 176.300 -0.788 0.000 1.153 298 M CA -2.683 52.458 55.300 -0.265 0.000 0.951 298 M CB 1.750 34.346 32.600 -0.008 0.000 1.705 298 M HN 0.277 nan 8.290 nan 0.000 0.451 299 P HA 0.114 nan 4.420 nan 0.000 0.276 299 P C -0.589 176.488 177.300 -0.371 0.000 1.252 299 P CA -0.463 62.299 63.100 -0.563 0.000 0.802 299 P CB 0.337 31.810 31.700 -0.377 0.000 1.035 300 N N 0.214 118.732 118.700 -0.304 0.000 2.365 300 N HA 0.124 4.864 4.740 -0.000 0.000 0.265 300 N C 1.389 176.800 175.510 -0.164 0.000 1.288 300 N CA 2.123 55.061 53.050 -0.186 0.000 0.869 300 N CB -0.728 37.682 38.487 -0.127 0.000 1.071 300 N HN 0.757 nan 8.380 nan 0.000 0.480 301 G N 2.547 111.319 108.800 -0.047 0.000 2.213 301 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 0.240 175.307 174.900 0.279 0.000 0.992 301 G CA 0.119 45.255 45.100 0.059 0.000 0.632 301 G HN 0.569 nan 8.290 nan 0.000 0.511 302 W N 1.597 122.858 121.300 -0.065 0.000 2.991 302 W HA 0.590 5.250 4.660 -0.000 0.000 0.391 302 W C 1.204 177.680 176.519 -0.071 0.000 1.054 302 W CA 0.150 57.464 57.345 -0.053 0.000 1.856 302 W CB 0.105 29.537 29.460 -0.046 0.000 1.132 302 W HN 1.209 nan 8.180 nan 0.000 0.601 303 G N -0.099 108.767 108.800 0.110 0.000 2.306 303 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.262 303 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.262 303 G C -0.656 174.213 174.900 -0.051 0.000 1.263 303 G CA -0.892 44.223 45.100 0.026 0.000 1.088 303 G HN -0.223 nan 8.290 nan 0.000 0.489 304 T N 3.528 118.046 114.554 -0.060 0.000 2.817 304 T HA 0.556 4.906 4.350 -0.000 0.000 0.293 304 T C -2.068 172.515 174.700 -0.195 0.000 0.964 304 T CA -0.435 61.611 62.100 -0.090 0.000 1.085 304 T CB 1.854 70.698 68.868 -0.041 0.000 0.921 304 T HN 0.477 nan 8.240 nan 0.000 0.502 305 P HA 0.135 nan 4.420 nan 0.000 0.220 305 P C -0.330 176.941 177.300 -0.048 0.000 1.806 305 P CA -0.423 62.347 63.100 -0.550 0.000 0.976 305 P CB -0.854 30.597 31.700 -0.415 0.000 1.952 306 T N 2.770 117.354 114.554 0.051 0.000 2.902 306 T HA 0.195 4.545 4.350 -0.000 0.000 0.301 306 T C 0.458 175.362 174.700 0.340 0.000 1.012 306 T CA 0.471 62.664 62.100 0.155 0.000 1.151 306 T CB 0.247 69.198 68.868 0.137 0.000 0.946 306 T HN 0.180 nan 8.240 nan 0.000 0.542 307 L N 3.476 124.830 121.223 0.219 0.000 2.376 307 L HA 0.468 4.808 4.340 -0.000 0.000 0.275 307 L C -0.647 176.326 176.870 0.172 0.000 0.987 307 L CA -1.082 53.917 54.840 0.265 0.000 0.828 307 L CB 1.293 43.488 42.059 0.226 0.000 1.249 307 L HN 0.638 nan 8.230 nan 0.000 0.409 308 Y N 1.052 121.473 120.300 0.202 0.000 2.307 308 Y HA 0.192 4.742 4.550 -0.001 0.000 0.324 308 Y C 0.355 176.404 175.900 0.249 0.000 1.238 308 Y CA -0.331 57.898 58.100 0.216 0.000 1.280 308 Y CB 1.022 39.681 38.460 0.332 0.000 1.248 308 Y HN 0.444 nan 8.280 nan 0.000 0.508 309 D N 2.611 123.201 120.400 0.315 0.000 2.329 309 D HA 0.188 4.828 4.640 -0.000 0.000 0.232 309 D C -1.285 175.166 176.300 0.252 0.000 1.088 309 D CA -0.086 54.070 54.000 0.260 0.000 0.835 309 D CB 0.877 41.753 40.800 0.127 0.000 1.078 309 D HN 0.221 nan 8.370 nan 0.000 0.495 310 F N 1.207 121.241 119.950 0.139 0.000 2.388 310 F HA 0.207 4.735 4.527 0.001 0.000 0.358 310 F C 0.774 176.713 175.800 0.232 0.000 1.122 310 F CA -0.594 57.511 58.000 0.175 0.000 1.056 310 F CB 1.783 40.875 39.000 0.154 0.000 1.155 310 F HN 0.025 nan 8.300 nan 0.000 0.461 311 S N 3.220 119.074 115.700 0.256 0.000 2.519 311 S HA 0.866 5.336 4.470 -0.000 0.000 0.309 311 S C -0.844 173.755 174.600 -0.001 0.000 1.100 311 S CA -0.486 57.797 58.200 0.139 0.000 1.059 311 S CB 0.866 64.094 63.200 0.047 0.000 1.008 311 S HN 0.761 nan 8.310 nan 0.000 0.478 312 A N 4.542 127.239 122.820 -0.206 0.000 2.318 312 A HA 0.730 5.050 4.320 -0.000 0.000 0.324 312 A C -0.492 176.945 177.584 -0.246 0.000 1.170 312 A CA -0.633 51.162 52.037 -0.403 0.000 0.810 312 A CB 0.906 19.290 19.000 -1.026 0.000 1.198 312 A HN 0.841 nan 8.150 nan 0.000 0.484 313 Q N 1.401 121.103 119.800 -0.164 0.000 2.365 313 Q HA 0.519 4.859 4.340 -0.000 0.000 0.269 313 Q C -1.117 174.827 176.000 -0.093 0.000 1.061 313 Q CA -0.818 54.921 55.803 -0.106 0.000 0.816 313 Q CB 2.476 31.173 28.738 -0.068 0.000 1.325 313 Q HN 0.626 nan 8.270 nan 0.000 0.446 314 I N 1.906 122.433 120.570 -0.071 0.000 2.330 314 I HA 0.464 4.634 4.170 -0.000 0.000 0.289 314 I C -0.280 175.820 176.117 -0.027 0.000 1.001 314 I CA -0.474 60.797 61.300 -0.048 0.000 1.193 314 I CB 0.730 38.706 38.000 -0.041 0.000 1.345 314 I HN 0.584 nan 8.210 nan 0.000 0.461 315 A N 6.270 129.077 122.820 -0.022 0.000 2.288 315 A HA 0.601 4.921 4.320 -0.000 0.000 0.320 315 A C -0.546 177.035 177.584 -0.005 0.000 1.217 315 A CA -0.330 51.699 52.037 -0.012 0.000 0.840 315 A CB 0.661 19.652 19.000 -0.014 0.000 1.179 315 A HN 0.769 nan 8.150 nan 0.000 0.504 316 C N 3.243 122.544 119.300 0.002 0.000 2.335 316 C HA 0.712 5.172 4.460 -0.000 0.000 0.318 316 C C 1.353 176.346 174.990 0.005 0.000 1.150 316 C CA 0.196 59.217 59.018 0.005 0.000 1.466 316 C CB -0.473 27.274 27.740 0.012 0.000 2.024 316 C HN 1.737 nan 8.230 nan 0.000 0.429 317 G N 4.051 112.852 108.800 0.002 0.000 2.622 317 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.307 317 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.307 317 G C 0.587 175.488 174.900 0.000 0.000 1.226 317 G CA 0.982 46.083 45.100 0.001 0.000 0.997 317 G HN 0.544 nan 8.290 nan 0.000 0.551 318 D N 1.532 121.933 120.400 0.001 0.000 2.317 318 D HA 0.068 4.708 4.640 -0.000 0.000 0.211 318 D C 1.552 177.854 176.300 0.002 0.000 0.966 318 D CA 0.533 54.534 54.000 0.001 0.000 0.876 318 D CB 0.008 40.809 40.800 0.001 0.000 0.927 318 D HN 0.400 nan 8.370 nan 0.000 0.519 319 R N 1.052 121.555 120.500 0.005 0.000 2.234 319 R HA 0.229 4.569 4.340 -0.000 0.000 0.324 319 R C -0.051 176.253 176.300 0.008 0.000 1.054 319 R CA -0.495 55.610 56.100 0.009 0.000 0.912 319 R CB 1.308 31.617 30.300 0.015 0.000 1.030 319 R HN -0.104 nan 8.270 nan 0.000 0.455 320 I N 5.872 126.445 120.570 0.006 0.000 2.293 320 I HA -0.051 4.119 4.170 -0.000 0.000 0.299 320 I C 1.777 177.901 176.117 0.011 0.000 1.153 320 I CA 0.207 61.507 61.300 0.000 0.000 1.302 320 I CB 0.248 38.243 38.000 -0.007 0.000 1.460 320 I HN 0.561 nan 8.210 nan 0.000 0.552 321 V N 3.420 123.345 119.914 0.019 0.000 2.626 321 V HA 0.213 4.333 4.120 -0.000 0.000 0.252 321 V C 0.911 177.027 176.094 0.037 0.000 1.067 321 V CA 0.994 63.322 62.300 0.046 0.000 1.081 321 V CB -0.467 31.395 31.823 0.065 0.000 0.686 321 V HN 0.670 nan 8.190 nan 0.000 0.468 322 A N -0.360 122.458 122.820 -0.004 0.000 2.520 322 A HA 0.776 5.096 4.320 -0.000 0.000 0.298 322 A C -0.884 176.667 177.584 -0.055 0.000 1.051 322 A CA -0.489 51.525 52.037 -0.038 0.000 0.690 322 A CB 1.971 20.933 19.000 -0.065 0.000 1.281 322 A HN 0.332 nan 8.150 nan 0.000 0.402 323 E N 0.974 121.137 120.200 -0.062 0.000 2.343 323 E HA 0.569 4.919 4.350 -0.000 0.000 0.278 323 E C -1.836 174.716 176.600 -0.079 0.000 0.910 323 E CA -0.338 56.017 56.400 -0.075 0.000 0.757 323 E CB 2.245 31.915 29.700 -0.050 0.000 1.218 323 E HN 0.681 nan 8.360 nan 0.000 0.435 324 Q N 1.563 121.302 119.800 -0.102 0.000 2.315 324 Q HA 0.493 4.833 4.340 -0.000 0.000 0.273 324 Q C -1.802 174.179 176.000 -0.031 0.000 1.053 324 Q CA -0.495 55.260 55.803 -0.080 0.000 0.817 324 Q CB 1.768 30.477 28.738 -0.050 0.000 1.326 324 Q HN 0.505 nan 8.270 nan 0.000 0.423 325 S N 2.693 118.338 115.700 -0.091 0.000 2.600 325 S HA 0.794 5.264 4.470 -0.000 0.000 0.300 325 S C -0.950 173.489 174.600 -0.269 0.000 1.087 325 S CA -0.754 57.435 58.200 -0.017 0.000 0.965 325 S CB 1.423 64.642 63.200 0.031 0.000 1.089 325 S HN 0.658 nan 8.310 nan 0.000 0.496 326 H N 0.378 119.524 119.070 0.127 0.000 2.894 326 H HA 0.447 5.003 4.556 0.000 0.000 0.367 326 H C -0.602 174.747 175.328 0.035 0.000 1.144 326 H CA -0.668 55.365 56.048 -0.025 0.000 1.180 326 H CB 1.657 31.287 29.762 -0.220 0.000 1.758 326 H HN 0.585 nan 8.280 nan 0.000 0.541 327 R N 2.063 122.646 120.500 0.139 0.000 2.298 327 R HA 0.338 4.678 4.340 -0.000 0.000 0.310 327 R C -0.167 176.159 176.300 0.044 0.000 1.068 327 R CA -0.422 55.758 56.100 0.134 0.000 0.957 327 R CB 0.756 31.126 30.300 0.117 0.000 1.003 327 R HN 0.316 nan 8.270 nan 0.000 0.454 328 I N 1.701 122.331 120.570 0.100 0.000 2.465 328 I HA 0.296 4.466 4.170 -0.000 0.000 0.291 328 I C 0.614 176.773 176.117 0.070 0.000 1.014 328 I CA -0.537 60.721 61.300 -0.071 0.000 1.093 328 I CB 1.772 39.526 38.000 -0.410 0.000 1.267 328 I HN 0.670 nan 8.210 nan 0.000 0.431 329 G N 6.638 115.385 108.800 -0.088 0.000 2.368 329 G HA2 0.609 4.569 3.960 -0.000 0.000 0.320 329 G HA3 0.609 4.569 3.960 -0.000 0.000 0.320 329 G C -0.554 174.348 174.900 0.004 0.000 1.158 329 G CA -0.506 44.601 45.100 0.011 0.000 0.912 329 G HN 0.485 nan 8.290 nan 0.000 0.456 330 L N 4.420 125.742 121.223 0.165 0.000 2.295 330 L HA 0.553 4.892 4.340 -0.000 0.000 0.288 330 L C 0.485 177.455 176.870 0.166 0.000 1.079 330 L CA -0.715 54.177 54.840 0.086 0.000 0.830 330 L CB 0.018 42.108 42.059 0.051 0.000 1.200 330 L HN 0.600 nan 8.230 nan 0.000 0.438 331 R N 1.640 122.203 120.500 0.105 0.000 2.716 331 R HA 0.537 4.877 4.340 -0.000 0.000 0.271 331 R C -1.095 175.262 176.300 0.095 0.000 1.028 331 R CA -0.737 55.465 56.100 0.171 0.000 0.883 331 R CB 1.109 31.607 30.300 0.330 0.000 1.250 331 R HN 0.348 nan 8.270 nan 0.000 0.465 332 T N -0.803 113.824 114.554 0.121 0.000 2.824 332 T HA 0.735 5.085 4.350 -0.000 0.000 0.280 332 T C 0.303 175.073 174.700 0.116 0.000 0.995 332 T CA -0.754 61.398 62.100 0.086 0.000 1.009 332 T CB 0.917 69.829 68.868 0.073 0.000 0.955 332 T HN 0.474 nan 8.240 nan 0.000 0.452 333 I N 2.467 123.084 120.570 0.079 0.000 2.447 333 I HA 0.502 4.672 4.170 -0.000 0.000 0.287 333 I C -0.026 176.110 176.117 0.031 0.000 1.023 333 I CA -0.893 60.466 61.300 0.099 0.000 1.083 333 I CB 2.049 40.114 38.000 0.109 0.000 1.245 333 I HN 0.596 nan 8.210 nan 0.000 0.434 334 R N 5.955 126.447 120.500 -0.013 0.000 2.513 334 R HA 0.618 4.957 4.340 -0.000 0.000 0.301 334 R C -1.723 174.357 176.300 -0.367 0.000 0.968 334 R CA -0.538 55.473 56.100 -0.148 0.000 0.872 334 R CB 2.020 32.248 30.300 -0.119 0.000 1.177 334 R HN 0.418 nan 8.270 nan 0.000 0.444 335 V N 5.478 125.025 119.914 -0.613 0.000 2.385 335 V HA 0.198 4.318 4.120 -0.000 0.000 0.269 335 V C -0.059 175.367 176.094 -1.114 0.000 1.043 335 V CA -0.533 61.044 62.300 -1.204 0.000 0.906 335 V CB 1.374 32.107 31.823 -1.816 0.000 0.995 335 V HN 0.491 nan 8.190 nan 0.000 0.467 336 V N 5.057 124.265 119.914 -1.178 0.000 2.364 336 V HA 0.382 4.502 4.120 -0.000 0.000 0.272 336 V C 0.134 175.710 176.094 -0.863 0.000 1.036 336 V CA -0.346 61.367 62.300 -0.977 0.000 0.880 336 V CB 1.233 32.325 31.823 -1.219 0.000 0.991 336 V HN 0.937 nan 8.190 nan 0.000 0.460 337 N N 4.342 122.707 118.700 -0.559 0.000 2.690 337 N HA 0.334 5.073 4.740 -0.000 0.000 0.255 337 N C -0.908 174.542 175.510 -0.101 0.000 1.195 337 N CA -0.324 52.540 53.050 -0.310 0.000 0.790 337 N CB 1.088 39.357 38.487 -0.363 0.000 1.216 337 N HN 0.763 nan 8.380 nan 0.000 0.528 338 E N 1.004 121.185 120.200 -0.032 0.000 2.317 338 E HA 0.329 4.679 4.350 -0.000 0.000 0.270 338 E C -0.757 175.883 176.600 0.068 0.000 0.885 338 E CA -0.931 55.477 56.400 0.014 0.000 0.760 338 E CB 2.073 31.773 29.700 -0.001 0.000 1.227 338 E HN 0.250 nan 8.360 nan 0.000 0.434 339 K N 2.231 122.674 120.400 0.072 0.000 2.489 339 K HA 0.035 4.355 4.320 -0.000 0.000 0.278 339 K C -0.362 176.284 176.600 0.077 0.000 1.000 339 K CA 0.674 57.010 56.287 0.082 0.000 1.012 339 K CB 0.174 32.718 32.500 0.073 0.000 0.903 339 K HN 0.487 nan 8.250 nan 0.000 0.485 340 D N 0.332 120.783 120.400 0.084 0.000 2.812 340 D HA 0.039 4.679 4.640 -0.000 0.000 0.318 340 D C 0.227 176.578 176.300 0.085 0.000 1.234 340 D CA -0.887 53.163 54.000 0.083 0.000 0.989 340 D CB 0.197 41.051 40.800 0.091 0.000 1.442 340 D HN 0.346 nan 8.370 nan 0.000 0.537 341 K N -0.956 119.497 120.400 0.088 0.000 2.283 341 K HA -0.038 4.282 4.320 -0.000 0.000 0.202 341 K C 0.226 176.895 176.600 0.115 0.000 1.048 341 K CA 1.242 57.584 56.287 0.093 0.000 0.948 341 K CB -0.144 32.412 32.500 0.092 0.000 0.742 341 K HN 0.217 nan 8.250 nan 0.000 0.458 342 D N -0.015 120.461 120.400 0.127 0.000 2.379 342 D HA 0.129 4.768 4.640 -0.000 0.000 0.208 342 D C 0.973 177.354 176.300 0.135 0.000 1.065 342 D CA 0.902 55.005 54.000 0.172 0.000 0.848 342 D CB 1.309 42.231 40.800 0.204 0.000 0.949 342 D HN 0.505 nan 8.370 nan 0.000 0.509 343 G N 0.938 109.800 108.800 0.103 0.000 1.812 343 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.053 343 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.053 343 G C -1.092 173.873 174.900 0.108 0.000 0.844 343 G CA -0.710 44.452 45.100 0.103 0.000 1.151 343 G HN 0.135 nan 8.290 nan 0.000 0.362 344 E N 1.096 121.369 120.200 0.121 0.000 2.260 344 E HA 0.527 4.877 4.350 -0.000 0.000 0.266 344 E C -0.100 176.603 176.600 0.170 0.000 0.887 344 E CA -0.161 56.337 56.400 0.163 0.000 0.777 344 E CB 2.096 31.948 29.700 0.255 0.000 1.205 344 E HN 0.714 nan 8.360 nan 0.000 0.414 345 S N 2.276 118.070 115.700 0.156 0.000 2.589 345 S HA 0.358 4.828 4.470 -0.000 0.000 0.265 345 S C -0.261 174.496 174.600 0.261 0.000 1.342 345 S CA -0.339 57.982 58.200 0.201 0.000 1.005 345 S CB 0.561 63.915 63.200 0.257 0.000 0.909 345 S HN 0.512 nan 8.310 nan 0.000 0.555 346 F N 2.849 122.871 119.950 0.120 0.000 3.152 346 F HA 0.502 5.029 4.527 -0.000 0.000 0.367 346 F C -1.250 174.585 175.800 0.059 0.000 1.272 346 F CA -0.649 57.326 58.000 -0.042 0.000 1.172 346 F CB 0.779 39.796 39.000 0.029 0.000 1.552 346 F HN 0.848 nan 8.300 nan 0.000 0.616 347 Y N 2.294 122.356 120.300 -0.395 0.000 2.689 347 Y HA 0.748 5.298 4.550 -0.000 0.000 0.333 347 Y C -2.222 173.379 175.900 -0.498 0.000 1.208 347 Y CA -2.315 55.695 58.100 -0.151 0.000 1.055 347 Y CB 1.054 39.561 38.460 0.079 0.000 1.304 347 Y HN 0.211 nan 8.280 nan 0.000 0.455 348 F N 1.421 121.444 119.950 0.122 0.000 2.458 348 F HA 0.437 4.964 4.527 -0.000 0.000 0.336 348 F C 0.010 175.923 175.800 0.189 0.000 1.114 348 F CA -0.614 57.383 58.000 -0.006 0.000 0.987 348 F CB 1.914 40.932 39.000 0.030 0.000 1.130 348 F HN 0.585 nan 8.300 nan 0.000 0.458 349 E N 3.505 123.828 120.200 0.205 0.000 2.145 349 E HA 0.534 4.884 4.350 -0.000 0.000 0.270 349 E C -1.783 174.969 176.600 0.253 0.000 0.906 349 E CA -0.522 56.042 56.400 0.273 0.000 0.761 349 E CB 1.668 31.474 29.700 0.176 0.000 1.116 349 E HN 0.456 nan 8.360 nan 0.000 0.408 350 V N 5.463 125.584 119.914 0.345 0.000 2.409 350 V HA 0.201 4.321 4.120 -0.000 0.000 0.291 350 V C 0.132 176.441 176.094 0.358 0.000 1.020 350 V CA -0.894 61.617 62.300 0.353 0.000 0.848 350 V CB 1.324 33.374 31.823 0.378 0.000 0.990 350 V HN 0.867 nan 8.190 nan 0.000 0.430 351 N N 4.021 122.877 118.700 0.261 0.000 2.721 351 N HA -0.225 4.515 4.740 -0.000 0.000 0.249 351 N C 1.200 176.800 175.510 0.151 0.000 1.072 351 N CA 1.471 54.640 53.050 0.198 0.000 0.710 351 N CB -0.988 37.628 38.487 0.214 0.000 0.993 351 N HN 1.542 nan 8.380 nan 0.000 0.547 352 G N -1.207 107.684 108.800 0.151 0.000 2.179 352 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.260 352 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.260 352 G C 0.057 175.039 174.900 0.136 0.000 0.977 352 G CA 0.500 45.672 45.100 0.119 0.000 0.641 352 G HN 0.518 nan 8.290 nan 0.000 0.533 353 I N 1.269 121.955 120.570 0.193 0.000 2.389 353 I HA 0.340 4.510 4.170 -0.000 0.000 0.288 353 I C -2.355 173.987 176.117 0.374 0.000 0.999 353 I CA -2.643 58.772 61.300 0.192 0.000 1.129 353 I CB 2.191 40.195 38.000 0.006 0.000 1.288 353 I HN -0.209 nan 8.210 nan 0.000 0.444 354 P HA 0.065 nan 4.420 nan 0.000 0.262 354 P C -0.675 176.912 177.300 0.478 0.000 1.199 354 P CA 0.128 63.447 63.100 0.365 0.000 0.763 354 P CB 0.407 32.177 31.700 0.117 0.000 0.790 355 M N 5.781 125.659 119.600 0.463 0.000 2.072 355 M HA 0.362 4.842 4.480 -0.000 0.000 0.331 355 M C -0.969 175.482 176.300 0.251 0.000 1.004 355 M CA -1.137 54.347 55.300 0.307 0.000 0.952 355 M CB 0.397 32.965 32.600 -0.053 0.000 1.511 355 M HN 0.148 nan 8.290 nan 0.000 0.422 356 F N 4.552 124.567 119.950 0.109 0.000 2.506 356 F HA 0.453 4.980 4.527 -0.000 0.000 0.371 356 F C 0.115 175.883 175.800 -0.053 0.000 1.078 356 F CA -0.288 57.749 58.000 0.063 0.000 1.195 356 F CB 0.566 39.587 39.000 0.035 0.000 1.099 356 F HN 0.676 nan 8.300 nan 0.000 0.548 357 A N 7.061 129.667 122.820 -0.357 0.000 2.409 357 A HA 0.434 4.754 4.320 -0.000 0.000 0.262 357 A C -0.579 176.794 177.584 -0.351 0.000 1.113 357 A CA -0.524 51.353 52.037 -0.265 0.000 0.790 357 A CB 0.247 19.220 19.000 -0.046 0.000 1.046 357 A HN 0.830 nan 8.150 nan 0.000 0.496 358 K N 1.969 122.128 120.400 -0.402 0.000 2.545 358 K HA 0.619 4.939 4.320 -0.000 0.000 0.252 358 K C 0.124 176.300 176.600 -0.708 0.000 0.948 358 K CA -0.074 55.694 56.287 -0.865 0.000 0.827 358 K CB 2.186 33.836 32.500 -1.416 0.000 1.128 358 K HN 1.040 nan 8.250 nan 0.000 0.429 359 G N 1.067 109.640 108.800 -0.379 0.000 2.474 359 G HA2 0.702 4.662 3.960 -0.000 0.000 0.234 359 G HA3 0.702 4.662 3.960 -0.000 0.000 0.234 359 G C -1.791 172.957 174.900 -0.253 0.000 1.204 359 G CA -0.101 44.888 45.100 -0.184 0.000 0.939 359 G HN 0.653 nan 8.290 nan 0.000 0.491 360 A N -0.971 121.595 122.820 -0.423 0.000 2.599 360 A HA 0.752 5.072 4.320 -0.000 0.000 0.290 360 A C -1.311 175.986 177.584 -0.480 0.000 1.101 360 A CA -0.700 50.887 52.037 -0.750 0.000 0.674 360 A CB 1.048 19.336 19.000 -1.186 0.000 1.277 360 A HN 0.562 nan 8.150 nan 0.000 0.419 361 N N 0.703 119.078 118.700 -0.542 0.000 2.444 361 N HA 0.336 5.076 4.740 -0.000 0.000 0.271 361 N C -1.516 173.657 175.510 -0.562 0.000 1.069 361 N CA 0.238 53.020 53.050 -0.448 0.000 0.965 361 N CB 1.349 39.569 38.487 -0.444 0.000 1.092 361 N HN 0.640 nan 8.380 nan 0.000 0.476 362 Y N 3.703 123.731 120.300 -0.453 0.000 2.342 362 Y HA 0.471 5.021 4.550 0.000 0.000 0.334 362 Y C -0.042 175.594 175.900 -0.441 0.000 1.067 362 Y CA -0.809 57.028 58.100 -0.439 0.000 1.128 362 Y CB 0.608 38.926 38.460 -0.237 0.000 1.200 362 Y HN 0.438 nan 8.280 nan 0.000 0.464 363 I N 3.455 123.252 120.570 -1.289 0.000 3.023 363 I HA 0.735 4.905 4.170 -0.000 0.000 0.312 363 I C -2.792 172.500 176.117 -1.376 0.000 1.056 363 I CA -3.288 57.325 61.300 -1.145 0.000 1.033 363 I CB 1.737 38.844 38.000 -1.489 0.000 1.233 363 I HN 0.392 nan 8.210 nan 0.000 0.462 364 P HA 0.036 nan 4.420 nan 0.000 0.265 364 P C -0.483 176.500 177.300 -0.528 0.000 1.187 364 P CA 0.235 62.941 63.100 -0.656 0.000 0.766 364 P CB 0.400 31.588 31.700 -0.853 0.000 0.820 365 Q N 0.568 120.203 119.800 -0.275 0.000 2.451 365 Q HA 0.021 4.361 4.340 -0.000 0.000 0.206 365 Q C 0.216 176.248 176.000 0.053 0.000 0.947 365 Q CA 0.905 56.606 55.803 -0.169 0.000 0.937 365 Q CB 0.264 28.907 28.738 -0.157 0.000 1.025 365 Q HN 0.517 nan 8.270 nan 0.000 0.511 366 D N -2.586 117.888 120.400 0.124 0.000 2.663 366 D HA 0.205 4.845 4.640 -0.000 0.000 0.233 366 D C -0.401 176.100 176.300 0.336 0.000 1.240 366 D CA 0.003 54.184 54.000 0.302 0.000 0.774 366 D CB 1.469 42.464 40.800 0.325 0.000 1.443 366 D HN -0.061 nan 8.370 nan 0.000 0.441 367 A N 2.312 125.337 122.820 0.342 0.000 2.024 367 A HA -0.007 4.313 4.320 -0.000 0.000 0.220 367 A C 1.026 178.679 177.584 0.115 0.000 1.164 367 A CA 1.040 53.218 52.037 0.236 0.000 0.643 367 A CB -0.140 18.963 19.000 0.171 0.000 0.806 367 A HN 0.469 nan 8.150 nan 0.000 0.451 368 L N 0.332 121.650 121.223 0.158 0.000 2.337 368 L HA 0.301 4.641 4.340 -0.000 0.000 0.269 368 L C 0.621 177.584 176.870 0.155 0.000 1.018 368 L CA -0.479 54.405 54.840 0.075 0.000 0.876 368 L CB 1.362 43.430 42.059 0.015 0.000 1.236 368 L HN 0.217 nan 8.230 nan 0.000 0.436 369 L N 3.239 124.574 121.223 0.187 0.000 2.042 369 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 369 L C -0.456 176.595 176.870 0.301 0.000 1.076 369 L CA 1.499 56.515 54.840 0.293 0.000 0.749 369 L CB -0.984 41.313 42.059 0.398 0.000 0.893 369 L HN 0.519 nan 8.230 nan 0.000 0.432 370 P HA -0.056 nan 4.420 nan 0.000 0.230 370 P C 0.725 178.117 177.300 0.153 0.000 1.158 370 P CA 0.849 64.065 63.100 0.192 0.000 0.769 370 P CB -0.043 31.727 31.700 0.118 0.000 0.807 371 N N -0.897 117.892 118.700 0.148 0.000 2.459 371 N HA -0.031 4.709 4.740 -0.000 0.000 0.181 371 N C 0.062 175.663 175.510 0.151 0.000 1.046 371 N CA 0.432 53.563 53.050 0.135 0.000 0.904 371 N CB -0.472 38.097 38.487 0.137 0.000 0.964 371 N HN 0.026 nan 8.380 nan 0.000 0.444 372 V N 2.467 122.490 119.914 0.181 0.000 2.415 372 V HA 0.069 4.189 4.120 -0.000 0.000 0.267 372 V C 0.923 177.166 176.094 0.248 0.000 1.042 372 V CA -0.396 61.998 62.300 0.155 0.000 1.000 372 V CB -0.110 31.758 31.823 0.076 0.000 1.015 372 V HN 0.241 nan 8.190 nan 0.000 0.478 373 T N 1.424 116.092 114.554 0.191 0.000 2.816 373 T HA 0.130 4.480 4.350 -0.000 0.000 0.282 373 T C 1.391 176.278 174.700 0.312 0.000 0.993 373 T CA 0.031 62.257 62.100 0.210 0.000 0.994 373 T CB 1.012 69.961 68.868 0.134 0.000 1.025 373 T HN 0.543 nan 8.240 nan 0.000 0.529 374 T N 1.003 115.694 114.554 0.228 0.000 2.720 374 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 374 T C 1.803 176.625 174.700 0.203 0.000 1.037 374 T CA 1.842 64.066 62.100 0.206 0.000 1.144 374 T CB -0.460 68.469 68.868 0.101 0.000 0.864 374 T HN 0.731 nan 8.240 nan 0.000 0.444 375 E N 0.977 121.264 120.200 0.145 0.000 2.077 375 E HA -0.058 4.292 4.350 -0.000 0.000 0.193 375 E C 2.388 179.059 176.600 0.118 0.000 0.989 375 E CA 0.964 57.431 56.400 0.112 0.000 0.800 375 E CB -0.189 29.559 29.700 0.081 0.000 0.746 375 E HN 0.399 nan 8.360 nan 0.000 0.452 376 R N -0.701 119.867 120.500 0.115 0.000 2.081 376 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 376 R C 2.116 178.450 176.300 0.057 0.000 1.131 376 R CA 1.305 57.431 56.100 0.044 0.000 0.960 376 R CB -0.397 29.889 30.300 -0.023 0.000 0.856 376 R HN 0.264 nan 8.270 nan 0.000 0.436 377 Y N 1.108 121.476 120.300 0.113 0.000 2.181 377 Y HA -0.241 4.309 4.550 0.000 0.000 0.288 377 Y C 2.554 178.559 175.900 0.175 0.000 1.146 377 Y CA 1.548 59.745 58.100 0.161 0.000 1.164 377 Y CB -0.169 38.380 38.460 0.149 0.000 0.982 377 Y HN 0.119 nan 8.280 nan 0.000 0.515 378 Q N -0.889 119.075 119.800 0.273 0.000 2.084 378 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 378 Q C 2.179 178.278 176.000 0.164 0.000 0.978 378 Q CA 2.084 57.998 55.803 0.185 0.000 0.844 378 Q CB -0.361 28.447 28.738 0.117 0.000 0.898 378 Q HN 0.412 nan 8.270 nan 0.000 0.426 379 T N 1.295 115.921 114.554 0.120 0.000 2.746 379 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 379 T C 1.709 176.445 174.700 0.060 0.000 1.039 379 T CA 0.911 63.062 62.100 0.085 0.000 1.142 379 T CB -0.243 68.659 68.868 0.057 0.000 0.866 379 T HN 0.099 nan 8.240 nan 0.000 0.444 380 L N 0.294 121.527 121.223 0.016 0.000 2.083 380 L HA 0.063 4.403 4.340 -0.000 0.000 0.209 380 L C 1.901 178.636 176.870 -0.226 0.000 1.083 380 L CA 1.598 56.368 54.840 -0.117 0.000 0.752 380 L CB -0.780 41.188 42.059 -0.152 0.000 0.899 380 L HN 0.196 nan 8.230 nan 0.000 0.433 381 F N -0.482 119.416 119.950 -0.087 0.000 2.186 381 F HA -0.149 4.378 4.527 0.000 0.000 0.299 381 F C 2.737 178.515 175.800 -0.037 0.000 1.090 381 F CA 1.570 59.501 58.000 -0.115 0.000 1.307 381 F CB -0.373 38.527 39.000 -0.166 0.000 1.019 381 F HN 0.040 nan 8.300 nan 0.000 0.489 382 R N 0.621 121.211 120.500 0.149 0.000 2.083 382 R HA -0.189 4.151 4.340 -0.000 0.000 0.237 382 R C 1.782 178.180 176.300 0.164 0.000 1.137 382 R CA 2.138 58.322 56.100 0.139 0.000 0.951 382 R CB -0.432 29.946 30.300 0.130 0.000 0.851 382 R HN 0.166 nan 8.270 nan 0.000 0.434 383 D N 0.191 120.672 120.400 0.135 0.000 2.117 383 D HA -0.196 4.444 4.640 -0.000 0.000 0.197 383 D C 1.977 178.334 176.300 0.095 0.000 0.987 383 D CA 1.520 55.608 54.000 0.145 0.000 0.829 383 D CB -0.161 40.554 40.800 -0.141 0.000 0.961 383 D HN 0.366 nan 8.370 nan 0.000 0.460 384 M N 0.235 119.808 119.600 -0.045 0.000 2.099 384 M HA -0.127 4.353 4.480 -0.000 0.000 0.262 384 M C 2.264 178.569 176.300 0.009 0.000 1.067 384 M CA 1.155 56.415 55.300 -0.066 0.000 1.124 384 M CB -0.166 32.283 32.600 -0.251 0.000 1.353 384 M HN -0.115 nan 8.290 nan 0.000 0.410 385 K N 0.792 121.219 120.400 0.045 0.000 2.057 385 K HA -0.169 4.151 4.320 -0.000 0.000 0.207 385 K C 1.571 178.228 176.600 0.095 0.000 1.049 385 K CA 1.468 57.794 56.287 0.064 0.000 0.931 385 K CB 0.037 32.587 32.500 0.083 0.000 0.714 385 K HN 0.377 nan 8.250 nan 0.000 0.440 386 E N -0.409 119.886 120.200 0.158 0.000 2.274 386 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 386 E C 1.239 177.966 176.600 0.212 0.000 0.996 386 E CA 0.660 57.194 56.400 0.222 0.000 0.840 386 E CB 0.120 30.030 29.700 0.350 0.000 0.772 386 E HN 0.347 nan 8.360 nan 0.000 0.491 387 A N 0.941 123.833 122.820 0.121 0.000 2.302 387 A HA 0.051 4.371 4.320 -0.000 0.000 0.219 387 A C 0.128 177.787 177.584 0.125 0.000 1.243 387 A CA 0.112 52.149 52.037 0.001 0.000 0.856 387 A CB -0.546 18.238 19.000 -0.360 0.000 0.893 387 A HN 0.365 nan 8.150 nan 0.000 0.491 388 N N -1.979 116.787 118.700 0.110 0.000 2.800 388 N HA -0.158 4.582 4.740 -0.000 0.000 0.250 388 N C -0.130 175.380 175.510 0.001 0.000 1.078 388 N CA 0.875 53.977 53.050 0.088 0.000 0.804 388 N CB -1.494 37.080 38.487 0.145 0.000 1.135 388 N HN 0.605 nan 8.380 nan 0.000 0.565 389 M N 0.696 120.290 119.600 -0.011 0.000 2.240 389 M HA 0.149 4.629 4.480 -0.000 0.000 0.333 389 M C 1.143 177.337 176.300 -0.176 0.000 1.110 389 M CA 0.402 55.616 55.300 -0.143 0.000 1.173 389 M CB 0.410 32.957 32.600 -0.088 0.000 1.458 389 M HN 0.269 nan 8.290 nan 0.000 0.458 390 N N 1.309 119.862 118.700 -0.244 0.000 2.143 390 N HA 0.287 5.027 4.740 -0.000 0.000 0.229 390 N C -0.720 174.683 175.510 -0.178 0.000 1.294 390 N CA -0.243 52.676 53.050 -0.218 0.000 0.883 390 N CB 0.746 39.043 38.487 -0.316 0.000 1.148 390 N HN 0.695 nan 8.380 nan 0.000 0.511 391 M N 0.291 119.787 119.600 -0.173 0.000 2.465 391 M HA 0.513 4.993 4.480 -0.000 0.000 0.284 391 M C -2.169 174.066 176.300 -0.107 0.000 1.212 391 M CA -0.876 54.348 55.300 -0.127 0.000 0.910 391 M CB 2.463 34.967 32.600 -0.160 0.000 1.725 391 M HN -0.165 nan 8.290 nan 0.000 0.477 392 V N 3.765 123.652 119.914 -0.045 0.000 2.760 392 V HA 0.673 4.793 4.120 -0.000 0.000 0.309 392 V C -1.536 174.567 176.094 0.015 0.000 1.077 392 V CA -0.608 61.658 62.300 -0.057 0.000 0.910 392 V CB 2.374 34.160 31.823 -0.062 0.000 1.008 392 V HN 0.972 nan 8.190 nan 0.000 0.424 393 R N 6.137 126.606 120.500 -0.052 0.000 2.255 393 R HA 0.561 4.901 4.340 -0.000 0.000 0.326 393 R C -0.814 175.507 176.300 0.035 0.000 0.986 393 R CA -0.581 55.485 56.100 -0.057 0.000 0.847 393 R CB 0.972 31.044 30.300 -0.380 0.000 1.111 393 R HN 0.779 nan 8.270 nan 0.000 0.452 394 I N 6.024 126.642 120.570 0.081 0.000 2.311 394 I HA 0.073 4.243 4.170 -0.000 0.000 0.297 394 I C 0.007 176.216 176.117 0.153 0.000 1.131 394 I CA -0.387 60.958 61.300 0.075 0.000 1.289 394 I CB -0.005 37.930 38.000 -0.109 0.000 1.446 394 I HN 0.607 nan 8.210 nan 0.000 0.524 395 W N 5.959 127.243 121.300 -0.028 0.000 2.170 395 W HA 0.346 5.006 4.660 -0.000 0.000 0.336 395 W C 1.302 177.810 176.519 -0.018 0.000 1.283 395 W CA -0.474 56.885 57.345 0.024 0.000 1.224 395 W CB 0.994 30.534 29.460 0.134 0.000 1.132 395 W HN 0.523 nan 8.180 nan 0.000 0.571 396 G N 2.440 110.841 108.800 -0.666 0.000 2.882 396 G HA2 0.037 3.997 3.960 -0.000 0.000 0.206 396 G HA3 0.037 3.997 3.960 -0.000 0.000 0.206 396 G C 0.961 175.304 174.900 -0.929 0.000 1.155 396 G CA 0.366 45.080 45.100 -0.644 0.000 0.800 396 G HN 0.845 nan 8.290 nan 0.000 0.524 397 G N -0.458 107.275 108.800 -1.779 0.000 3.088 397 G HA2 0.428 4.388 3.960 -0.000 0.000 0.217 397 G HA3 0.428 4.388 3.960 -0.000 0.000 0.217 397 G C 0.838 175.478 174.900 -0.433 0.000 1.159 397 G CA 0.632 44.928 45.100 -1.340 0.000 0.760 397 G HN 0.507 nan 8.290 nan 0.000 0.550 398 G N 0.152 108.781 108.800 -0.285 0.000 3.365 398 G HA2 0.505 4.465 3.960 -0.000 0.000 0.185 398 G HA3 0.505 4.465 3.960 -0.000 0.000 0.185 398 G C 0.144 175.027 174.900 -0.028 0.000 1.565 398 G CA 0.596 45.637 45.100 -0.099 0.000 0.984 398 G HN 0.572 nan 8.290 nan 0.000 0.604 399 T N -2.951 111.589 114.554 -0.023 0.000 2.916 399 T HA 0.554 4.904 4.350 -0.000 0.000 0.292 399 T C -1.112 173.525 174.700 -0.106 0.000 1.064 399 T CA -0.729 61.408 62.100 0.062 0.000 1.011 399 T CB 1.491 70.605 68.868 0.410 0.000 1.152 399 T HN 0.283 nan 8.240 nan 0.000 0.510 400 Y N 1.572 121.921 120.300 0.081 0.000 2.605 400 Y HA 0.278 4.828 4.550 -0.000 0.000 0.336 400 Y C 1.439 177.521 175.900 0.303 0.000 1.111 400 Y CA -0.385 57.806 58.100 0.153 0.000 1.422 400 Y CB 0.121 38.666 38.460 0.142 0.000 1.193 400 Y HN 0.533 nan 8.280 nan 0.000 0.526 401 E N 2.065 122.494 120.200 0.382 0.000 2.416 401 E HA 0.017 4.367 4.350 -0.000 0.000 0.254 401 E C -0.115 176.753 176.600 0.447 0.000 1.241 401 E CA -0.270 56.299 56.400 0.281 0.000 0.969 401 E CB 0.465 29.946 29.700 -0.365 0.000 0.999 401 E HN 0.617 nan 8.360 nan 0.000 0.481 402 N N 1.426 120.311 118.700 0.309 0.000 2.381 402 N HA -0.049 4.691 4.740 -0.000 0.000 0.241 402 N C 0.898 176.541 175.510 0.222 0.000 1.279 402 N CA 0.006 53.156 53.050 0.167 0.000 0.896 402 N CB 0.237 38.700 38.487 -0.039 0.000 1.118 402 N HN 0.311 nan 8.380 nan 0.000 0.438 403 N N 0.558 119.343 118.700 0.142 0.000 2.149 403 N HA -0.157 4.583 4.740 -0.000 0.000 0.188 403 N C 1.577 177.144 175.510 0.095 0.000 1.019 403 N CA 0.547 53.703 53.050 0.176 0.000 0.857 403 N CB -0.298 38.260 38.487 0.118 0.000 0.997 403 N HN 0.439 nan 8.380 nan 0.000 0.426 404 L N 0.446 121.631 121.223 -0.063 0.000 2.081 404 L HA -0.118 4.221 4.340 -0.000 0.000 0.212 404 L C 2.048 178.760 176.870 -0.262 0.000 1.080 404 L CA 1.362 56.086 54.840 -0.194 0.000 0.754 404 L CB -0.897 40.954 42.059 -0.348 0.000 0.893 404 L HN 0.078 nan 8.230 nan 0.000 0.433 405 F N -0.840 118.878 119.950 -0.387 0.000 2.069 405 F HA -0.318 4.209 4.527 -0.000 0.000 0.298 405 F C 2.048 177.497 175.800 -0.584 0.000 1.113 405 F CA 1.982 59.757 58.000 -0.375 0.000 1.214 405 F CB -0.412 38.370 39.000 -0.364 0.000 0.978 405 F HN 0.168 nan 8.300 nan 0.000 0.474 406 Y N 0.335 120.575 120.300 -0.101 0.000 2.263 406 Y HA -0.186 4.364 4.550 -0.000 0.000 0.292 406 Y C 2.356 177.969 175.900 -0.479 0.000 1.130 406 Y CA 1.113 58.950 58.100 -0.438 0.000 1.179 406 Y CB -0.872 36.974 38.460 -1.023 0.000 0.998 406 Y HN 0.052 nan 8.280 nan 0.000 0.532 407 D N 0.351 120.653 120.400 -0.164 0.000 2.123 407 D HA -0.177 4.462 4.640 -0.000 0.000 0.196 407 D C 2.174 178.333 176.300 -0.235 0.000 0.992 407 D CA 1.301 55.267 54.000 -0.058 0.000 0.833 407 D CB -0.436 40.357 40.800 -0.012 0.000 0.954 407 D HN 0.317 nan 8.370 nan 0.000 0.455 408 L N 0.578 121.477 121.223 -0.541 0.000 2.056 408 L HA -0.117 4.222 4.340 -0.000 0.000 0.207 408 L C 2.559 178.887 176.870 -0.903 0.000 1.078 408 L CA 1.010 55.344 54.840 -0.843 0.000 0.749 408 L CB -0.366 40.847 42.059 -1.410 0.000 0.901 408 L HN -0.028 nan 8.230 nan 0.000 0.433 409 A N -0.035 122.209 122.820 -0.961 0.000 1.902 409 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 409 A C 1.898 179.496 177.584 0.024 0.000 1.181 409 A CA 2.002 53.857 52.037 -0.303 0.000 0.623 409 A CB -0.538 18.393 19.000 -0.115 0.000 0.818 409 A HN 0.361 nan 8.150 nan 0.000 0.443 410 D N 0.008 120.427 120.400 0.033 0.000 2.104 410 D HA -0.190 4.450 4.640 -0.000 0.000 0.194 410 D C 1.936 178.458 176.300 0.370 0.000 0.994 410 D CA 1.756 55.911 54.000 0.258 0.000 0.830 410 D CB -0.475 40.431 40.800 0.176 0.000 0.959 410 D HN 0.886 nan 8.370 nan 0.000 0.452 411 E N -0.217 120.056 120.200 0.123 0.000 2.481 411 E HA -0.013 4.336 4.350 -0.000 0.000 0.195 411 E C 0.918 177.537 176.600 0.032 0.000 1.047 411 E CA 0.392 56.843 56.400 0.086 0.000 0.867 411 E CB -0.039 29.675 29.700 0.024 0.000 0.858 411 E HN 0.137 nan 8.360 nan 0.000 0.513 412 N N 0.555 119.270 118.700 0.025 0.000 2.187 412 N HA 0.073 4.813 4.740 -0.000 0.000 0.212 412 N C 0.496 176.004 175.510 -0.003 0.000 1.152 412 N CA 0.642 53.705 53.050 0.021 0.000 0.872 412 N CB 1.425 39.960 38.487 0.079 0.000 1.025 412 N HN 0.359 nan 8.380 nan 0.000 0.514 413 G N 1.778 110.579 108.800 0.001 0.000 2.221 413 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.265 413 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.265 413 G C -0.099 174.794 174.900 -0.011 0.000 1.041 413 G CA -0.047 44.916 45.100 -0.229 0.000 0.807 413 G HN 0.319 nan 8.290 nan 0.000 0.502 414 I N 0.373 121.054 120.570 0.185 0.000 2.330 414 I HA 0.369 4.539 4.170 -0.000 0.000 0.289 414 I C 0.616 176.855 176.117 0.203 0.000 1.001 414 I CA -1.163 60.218 61.300 0.135 0.000 1.193 414 I CB 1.143 39.217 38.000 0.123 0.000 1.345 414 I HN -0.084 nan 8.210 nan 0.000 0.461 415 L N 7.247 128.550 121.223 0.133 0.000 2.461 415 L HA 0.176 4.516 4.340 -0.000 0.000 0.272 415 L C -0.013 176.888 176.870 0.052 0.000 1.197 415 L CA 0.346 55.237 54.840 0.086 0.000 0.836 415 L CB 0.720 42.749 42.059 -0.051 0.000 1.105 415 L HN 0.274 nan 8.230 nan 0.000 0.477 416 V N 2.152 122.105 119.914 0.065 0.000 2.409 416 V HA 0.243 4.363 4.120 -0.000 0.000 0.291 416 V C -0.784 175.386 176.094 0.126 0.000 1.020 416 V CA -0.725 61.642 62.300 0.111 0.000 0.848 416 V CB 1.519 33.434 31.823 0.153 0.000 0.990 416 V HN 0.709 nan 8.190 nan 0.000 0.430 417 W N 5.964 127.245 121.300 -0.033 0.000 2.342 417 W HA 0.539 5.199 4.660 -0.000 0.000 0.310 417 W C -0.461 176.036 176.519 -0.038 0.000 1.128 417 W CA -1.026 56.325 57.345 0.009 0.000 1.322 417 W CB 1.371 30.887 29.460 0.094 0.000 1.251 417 W HN 0.638 nan 8.180 nan 0.000 0.439 418 Q N 4.827 124.701 119.800 0.124 0.000 2.368 418 Q HA 0.210 4.550 4.340 -0.000 0.000 0.256 418 Q C -0.749 175.330 176.000 0.132 0.000 0.980 418 Q CA -0.119 55.677 55.803 -0.012 0.000 0.887 418 Q CB 0.617 29.020 28.738 -0.558 0.000 1.221 418 Q HN 0.292 nan 8.270 nan 0.000 0.458 419 D N 2.894 123.446 120.400 0.253 0.000 2.362 419 D HA 0.139 4.779 4.640 -0.000 0.000 0.242 419 D C -0.346 176.022 176.300 0.114 0.000 1.132 419 D CA 0.148 54.298 54.000 0.250 0.000 0.907 419 D CB 0.416 41.314 40.800 0.164 0.000 1.195 419 D HN 0.416 nan 8.370 nan 0.000 0.429 420 F N 0.502 120.691 119.950 0.398 0.000 2.403 420 F HA 0.127 4.654 4.527 -0.000 0.000 0.320 420 F C 1.462 177.243 175.800 -0.031 0.000 1.176 420 F CA -0.388 57.843 58.000 0.384 0.000 1.206 420 F CB 0.411 39.796 39.000 0.641 0.000 1.235 420 F HN 0.034 nan 8.300 nan 0.000 0.565 421 M N 3.235 122.647 119.600 -0.313 0.000 3.690 421 M HA 0.199 4.678 4.480 -0.000 0.000 0.209 421 M C -1.526 174.258 176.300 -0.860 0.000 1.403 421 M CA 0.264 55.108 55.300 -0.760 0.000 1.621 421 M CB -1.663 30.167 32.600 -1.282 0.000 1.056 421 M HN 0.273 nan 8.290 nan 0.000 0.593 422 F N 0.424 120.321 119.950 -0.087 0.000 2.561 422 F HA 0.723 5.250 4.527 -0.000 0.000 0.313 422 F C -0.148 175.697 175.800 0.075 0.000 1.126 422 F CA -0.987 56.979 58.000 -0.057 0.000 0.918 422 F CB 1.859 40.857 39.000 -0.005 0.000 1.199 422 F HN 0.290 nan 8.300 nan 0.000 0.444 423 A N 1.272 124.370 122.820 0.464 0.000 2.465 423 A HA 0.603 4.923 4.320 -0.000 0.000 0.292 423 A C 0.052 177.961 177.584 0.542 0.000 1.041 423 A CA -0.633 51.610 52.037 0.343 0.000 0.718 423 A CB 0.738 19.712 19.000 -0.043 0.000 1.266 423 A HN 1.101 nan 8.150 nan 0.000 0.403 424 C N 0.040 119.577 119.300 0.394 0.000 5.467 424 C HA -0.131 4.329 4.460 -0.000 0.000 0.269 424 C C 0.986 176.108 174.990 0.220 0.000 1.868 424 C CA 1.623 60.840 59.018 0.331 0.000 1.676 424 C CB -2.121 25.918 27.740 0.499 0.000 2.513 424 C HN 1.545 nan 8.230 nan 0.000 0.533 425 T N 0.985 115.656 114.554 0.195 0.000 2.900 425 T HA 0.607 4.957 4.350 -0.000 0.000 0.295 425 T C -2.752 172.016 174.700 0.114 0.000 1.044 425 T CA -1.239 60.914 62.100 0.088 0.000 0.995 425 T CB 2.233 71.009 68.868 -0.152 0.000 1.072 425 T HN 0.048 nan 8.240 nan 0.000 0.473 426 P HA 0.225 nan 4.420 nan 0.000 0.269 426 P C -1.266 176.068 177.300 0.057 0.000 1.215 426 P CA 0.016 63.288 63.100 0.286 0.000 0.780 426 P CB 0.354 32.200 31.700 0.243 0.000 0.898 427 Y N 0.203 120.614 120.300 0.186 0.000 2.598 427 Y HA 0.442 4.992 4.550 -0.000 0.000 0.340 427 Y C -1.650 174.124 175.900 -0.210 0.000 1.038 427 Y CA -2.354 55.661 58.100 -0.143 0.000 1.100 427 Y CB 0.625 39.164 38.460 0.133 0.000 1.281 427 Y HN 0.270 nan 8.280 nan 0.000 0.488 428 P HA 0.046 nan 4.420 nan 0.000 0.271 428 P C -0.233 177.022 177.300 -0.076 0.000 1.238 428 P CA 0.202 63.114 63.100 -0.314 0.000 0.794 428 P CB 0.535 31.805 31.700 -0.717 0.000 0.959 429 S N -2.886 112.864 115.700 0.083 0.000 3.088 429 S HA 0.089 4.559 4.470 -0.000 0.000 0.249 429 S C -0.075 174.611 174.600 0.143 0.000 0.877 429 S CA -0.683 57.607 58.200 0.149 0.000 1.184 429 S CB -0.732 62.515 63.200 0.078 0.000 1.170 429 S HN 0.496 nan 8.310 nan 0.000 0.603 430 D N 1.631 122.133 120.400 0.169 0.000 2.357 430 D HA 0.203 4.843 4.640 -0.000 0.000 0.242 430 D C -1.966 174.424 176.300 0.150 0.000 1.153 430 D CA -1.136 52.949 54.000 0.142 0.000 0.918 430 D CB 0.721 41.606 40.800 0.141 0.000 1.181 430 D HN -0.046 nan 8.370 nan 0.000 0.435 431 P HA -0.159 nan 4.420 nan 0.000 0.215 431 P C 1.450 178.798 177.300 0.080 0.000 1.157 431 P CA 1.753 64.890 63.100 0.062 0.000 0.874 431 P CB 0.023 31.747 31.700 0.039 0.000 0.790 432 T N -1.268 113.353 114.554 0.112 0.000 2.746 432 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 432 T C 1.451 176.248 174.700 0.162 0.000 1.039 432 T CA 1.069 63.241 62.100 0.121 0.000 1.142 432 T CB -0.954 67.993 68.868 0.132 0.000 0.866 432 T HN 0.007 nan 8.240 nan 0.000 0.444 433 F N 1.681 121.674 119.950 0.072 0.000 2.102 433 F HA -0.009 4.518 4.527 0.000 0.000 0.298 433 F C 1.964 177.791 175.800 0.045 0.000 1.105 433 F CA 1.114 59.168 58.000 0.089 0.000 1.239 433 F CB -0.533 38.532 39.000 0.109 0.000 0.991 433 F HN 0.051 nan 8.300 nan 0.000 0.474 434 L N 0.155 121.402 121.223 0.040 0.000 2.131 434 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 434 L C 2.530 179.308 176.870 -0.155 0.000 1.092 434 L CA 1.754 56.522 54.840 -0.120 0.000 0.759 434 L CB -0.751 41.273 42.059 -0.057 0.000 0.903 434 L HN 0.178 nan 8.230 nan 0.000 0.435 435 K N 0.441 120.793 120.400 -0.080 0.000 2.057 435 K HA -0.176 4.143 4.320 -0.000 0.000 0.207 435 K C 2.268 178.814 176.600 -0.091 0.000 1.049 435 K CA 1.163 57.408 56.287 -0.070 0.000 0.931 435 K CB 0.056 32.544 32.500 -0.019 0.000 0.714 435 K HN 0.186 nan 8.250 nan 0.000 0.440 436 R N 0.085 120.522 120.500 -0.105 0.000 2.083 436 R HA -0.113 4.227 4.340 -0.000 0.000 0.237 436 R C 2.279 178.484 176.300 -0.158 0.000 1.137 436 R CA 1.608 57.643 56.100 -0.109 0.000 0.951 436 R CB -0.418 29.819 30.300 -0.105 0.000 0.851 436 R HN 0.062 nan 8.270 nan 0.000 0.434 437 V N 1.103 120.848 119.914 -0.283 0.000 2.343 437 V HA -0.248 3.871 4.120 -0.000 0.000 0.247 437 V C 2.284 178.275 176.094 -0.172 0.000 1.051 437 V CA 1.938 64.112 62.300 -0.209 0.000 1.036 437 V CB -0.511 31.134 31.823 -0.298 0.000 0.654 437 V HN 0.394 nan 8.190 nan 0.000 0.451 438 E N 0.282 120.367 120.200 -0.191 0.000 2.085 438 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 438 E C 2.253 178.759 176.600 -0.157 0.000 0.994 438 E CA 1.478 57.770 56.400 -0.180 0.000 0.801 438 E CB -0.250 29.361 29.700 -0.149 0.000 0.743 438 E HN 0.574 nan 8.360 nan 0.000 0.453 439 A N 1.631 124.378 122.820 -0.122 0.000 1.883 439 A HA -0.282 4.038 4.320 -0.000 0.000 0.217 439 A C 2.081 179.604 177.584 -0.102 0.000 1.186 439 A CA 1.977 53.948 52.037 -0.110 0.000 0.624 439 A CB -0.797 18.152 19.000 -0.086 0.000 0.822 439 A HN 0.589 nan 8.150 nan 0.000 0.444 440 E N -0.069 120.090 120.200 -0.068 0.000 2.150 440 E HA -0.007 4.343 4.350 -0.000 0.000 0.193 440 E C 1.962 178.499 176.600 -0.105 0.000 0.985 440 E CA 1.061 57.446 56.400 -0.025 0.000 0.814 440 E CB -0.348 29.419 29.700 0.111 0.000 0.752 440 E HN 0.463 nan 8.360 nan 0.000 0.466 441 A N 1.444 124.192 122.820 -0.119 0.000 1.873 441 A HA -0.058 4.262 4.320 -0.000 0.000 0.215 441 A C 2.494 179.919 177.584 -0.265 0.000 1.186 441 A CA 1.347 53.305 52.037 -0.131 0.000 0.616 441 A CB -0.737 18.104 19.000 -0.265 0.000 0.823 441 A HN 0.189 nan 8.150 nan 0.000 0.442 442 V N -1.187 118.525 119.914 -0.336 0.000 2.343 442 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 442 V C 2.376 178.212 176.094 -0.430 0.000 1.051 442 V CA 2.192 64.149 62.300 -0.572 0.000 1.036 442 V CB -1.059 30.380 31.823 -0.640 0.000 0.654 442 V HN 0.712 nan 8.190 nan 0.000 0.451 443 Y N 1.696 121.784 120.300 -0.354 0.000 2.145 443 Y HA -0.211 4.339 4.550 -0.000 0.000 0.286 443 Y C 2.522 178.267 175.900 -0.258 0.000 1.145 443 Y CA 2.101 60.033 58.100 -0.280 0.000 1.148 443 Y CB -0.334 37.984 38.460 -0.237 0.000 0.981 443 Y HN 0.271 nan 8.280 nan 0.000 0.507 444 N N 0.253 118.763 118.700 -0.316 0.000 2.300 444 N HA -0.105 4.635 4.740 -0.000 0.000 0.179 444 N C 1.942 177.307 175.510 -0.243 0.000 1.016 444 N CA 1.525 54.351 53.050 -0.373 0.000 0.876 444 N CB -0.130 38.036 38.487 -0.535 0.000 0.979 444 N HN 0.428 nan 8.380 nan 0.000 0.432 445 I N 1.504 121.898 120.570 -0.294 0.000 2.179 445 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 445 I C 2.404 178.396 176.117 -0.208 0.000 1.088 445 I CA 1.188 62.343 61.300 -0.242 0.000 1.357 445 I CB -0.127 37.612 38.000 -0.435 0.000 1.051 445 I HN 0.034 nan 8.210 nan 0.000 0.409 446 R N 0.098 120.396 120.500 -0.335 0.000 2.115 446 R HA -0.141 4.199 4.340 -0.000 0.000 0.230 446 R C 2.400 178.521 176.300 -0.298 0.000 1.111 446 R CA 0.953 56.870 56.100 -0.306 0.000 0.976 446 R CB -0.367 29.749 30.300 -0.307 0.000 0.870 446 R HN 0.339 nan 8.270 nan 0.000 0.445 447 R N 0.920 121.180 120.500 -0.400 0.000 2.092 447 R HA -0.056 4.284 4.340 -0.000 0.000 0.231 447 R C 1.757 177.915 176.300 -0.236 0.000 1.119 447 R CA 1.173 57.052 56.100 -0.369 0.000 0.970 447 R CB 0.059 30.026 30.300 -0.555 0.000 0.864 447 R HN 0.187 nan 8.270 nan 0.000 0.440 448 L N 0.240 121.346 121.223 -0.195 0.000 2.556 448 L HA 0.137 4.477 4.340 -0.000 0.000 0.226 448 L C 2.172 179.001 176.870 -0.068 0.000 1.089 448 L CA 0.040 54.788 54.840 -0.153 0.000 0.864 448 L CB -0.059 41.803 42.059 -0.328 0.000 1.067 448 L HN 0.183 nan 8.230 nan 0.000 0.477 449 R N -0.264 120.185 120.500 -0.085 0.000 2.237 449 R HA -0.054 4.285 4.340 -0.000 0.000 0.219 449 R C 1.080 177.342 176.300 -0.063 0.000 1.080 449 R CA 1.014 57.091 56.100 -0.040 0.000 0.995 449 R CB -0.470 29.751 30.300 -0.132 0.000 0.875 449 R HN 0.333 nan 8.270 nan 0.000 0.462 450 N N 0.549 119.084 118.700 -0.275 0.000 2.398 450 N HA -0.025 4.714 4.740 -0.000 0.000 0.188 450 N C -0.396 174.840 175.510 -0.457 0.000 1.122 450 N CA 0.263 53.048 53.050 -0.442 0.000 0.866 450 N CB 0.082 38.031 38.487 -0.897 0.000 0.970 450 N HN 0.320 nan 8.380 nan 0.000 0.462 451 H N 0.555 119.488 119.070 -0.228 0.000 2.767 451 H HA 0.161 4.717 4.556 0.000 0.000 0.316 451 H C 1.070 176.225 175.328 -0.288 0.000 1.059 451 H CA -0.212 55.712 56.048 -0.207 0.000 1.461 451 H CB 1.441 31.132 29.762 -0.118 0.000 1.475 451 H HN 0.068 nan 8.280 nan 0.000 0.531 452 A N 3.437 126.071 122.820 -0.310 0.000 1.948 452 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 452 A C 2.391 179.486 177.584 -0.816 0.000 1.177 452 A CA 2.056 53.658 52.037 -0.725 0.000 0.636 452 A CB -0.526 17.718 19.000 -1.259 0.000 0.815 452 A HN 0.742 nan 8.150 nan 0.000 0.449 453 S N -0.933 114.507 115.700 -0.434 0.000 2.423 453 S HA 0.031 4.501 4.470 -0.000 0.000 0.231 453 S C 0.740 175.280 174.600 -0.100 0.000 1.014 453 S CA 0.539 58.620 58.200 -0.199 0.000 0.965 453 S CB -0.714 62.514 63.200 0.046 0.000 0.785 453 S HN 0.428 nan 8.310 nan 0.000 0.495 454 L N 1.904 123.077 121.223 -0.084 0.000 2.500 454 L HA 0.495 4.835 4.340 -0.000 0.000 0.272 454 L C 0.873 177.677 176.870 -0.110 0.000 1.149 454 L CA 0.267 55.048 54.840 -0.099 0.000 0.897 454 L CB 0.428 42.402 42.059 -0.143 0.000 1.178 454 L HN 0.216 nan 8.230 nan 0.000 0.473 455 A N 6.474 129.247 122.820 -0.077 0.000 2.108 455 A HA 0.467 4.786 4.320 -0.000 0.000 0.206 455 A C 0.412 178.022 177.584 0.044 0.000 1.212 455 A CA 0.816 52.865 52.037 0.021 0.000 0.843 455 A CB 0.053 19.106 19.000 0.088 0.000 0.902 455 A HN 0.777 nan 8.150 nan 0.000 0.477 456 M N -4.446 115.102 119.600 -0.087 0.000 2.853 456 M HA 0.583 5.063 4.480 -0.000 0.000 0.273 456 M C -2.351 173.776 176.300 -0.289 0.000 1.128 456 M CA -0.664 54.596 55.300 -0.067 0.000 0.814 456 M CB 0.812 33.434 32.600 0.036 0.000 1.667 456 M HN 0.053 nan 8.290 nan 0.000 0.519 457 W N 0.861 122.151 121.300 -0.018 0.000 2.627 457 W HA 0.772 5.432 4.660 -0.000 0.000 0.339 457 W C -0.948 175.522 176.519 -0.081 0.000 1.058 457 W CA -0.370 56.971 57.345 -0.006 0.000 1.223 457 W CB 2.007 31.589 29.460 0.204 0.000 1.389 457 W HN 0.867 nan 8.180 nan 0.000 0.541 458 C N 2.488 121.947 119.300 0.265 0.000 2.431 458 C HA 0.584 5.044 4.460 -0.000 0.000 0.321 458 C C 1.537 176.770 174.990 0.404 0.000 1.202 458 C CA 0.047 59.136 59.018 0.118 0.000 1.398 458 C CB 0.350 28.282 27.740 0.320 0.000 2.047 458 C HN 0.995 nan 8.230 nan 0.000 0.465 459 G N 4.274 113.199 108.800 0.208 0.000 2.469 459 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.219 459 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.219 459 G C 0.278 175.474 174.900 0.494 0.000 1.150 459 G CA 1.585 47.041 45.100 0.594 0.000 0.763 459 G HN 1.163 nan 8.290 nan 0.000 0.561 460 N N -2.733 116.082 118.700 0.191 0.000 3.185 460 N HA 0.189 4.929 4.740 -0.000 0.000 0.238 460 N C -1.604 173.971 175.510 0.108 0.000 1.451 460 N CA -0.875 52.239 53.050 0.106 0.000 0.888 460 N CB 0.544 38.847 38.487 -0.308 0.000 1.413 460 N HN 0.018 nan 8.380 nan 0.000 0.511 461 N N 0.044 118.799 118.700 0.093 0.000 2.426 461 N HA 0.261 5.001 4.740 -0.000 0.000 0.257 461 N C -0.862 174.743 175.510 0.158 0.000 1.002 461 N CA -0.177 52.973 53.050 0.167 0.000 0.942 461 N CB 0.397 38.946 38.487 0.103 0.000 1.112 461 N HN 0.744 nan 8.380 nan 0.000 0.499 462 E N 1.498 121.754 120.200 0.093 0.000 3.170 462 E HA -0.275 4.075 4.350 -0.000 0.000 0.284 462 E C 0.526 177.002 176.600 -0.207 0.000 0.967 462 E CA 0.551 56.928 56.400 -0.038 0.000 0.919 462 E CB -1.333 28.431 29.700 0.107 0.000 1.469 462 E HN 0.682 nan 8.360 nan 0.000 0.444 463 I N -0.243 120.272 120.570 -0.091 0.000 2.333 463 I HA -0.195 3.975 4.170 -0.000 0.000 0.246 463 I C 2.374 178.369 176.117 -0.204 0.000 1.106 463 I CA 0.817 62.075 61.300 -0.070 0.000 1.411 463 I CB -0.169 37.895 38.000 0.107 0.000 1.082 463 I HN 0.142 nan 8.210 nan 0.000 0.420 464 L N 1.291 122.376 121.223 -0.230 0.000 2.046 464 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 464 L C 2.453 179.122 176.870 -0.334 0.000 1.077 464 L CA 1.908 56.486 54.840 -0.437 0.000 0.747 464 L CB -0.680 41.191 42.059 -0.313 0.000 0.896 464 L HN 0.259 nan 8.230 nan 0.000 0.432 465 E N -0.543 119.500 120.200 -0.261 0.000 2.070 465 E HA -0.295 4.055 4.350 -0.000 0.000 0.197 465 E C 2.078 178.290 176.600 -0.647 0.000 1.004 465 E CA 1.505 57.769 56.400 -0.226 0.000 0.805 465 E CB -0.237 29.377 29.700 -0.143 0.000 0.744 465 E HN 0.599 nan 8.360 nan 0.000 0.451 466 A N 0.882 123.043 122.820 -1.099 0.000 1.902 466 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 466 A C 2.249 179.308 177.584 -0.874 0.000 1.181 466 A CA 1.366 52.604 52.037 -1.332 0.000 0.623 466 A CB -0.709 17.695 19.000 -0.993 0.000 0.818 466 A HN 0.352 nan 8.150 nan 0.000 0.443 467 L N -1.131 119.804 121.223 -0.480 0.000 2.131 467 L HA -0.181 4.158 4.340 -0.000 0.000 0.210 467 L C 2.519 179.230 176.870 -0.265 0.000 1.092 467 L CA 1.654 56.358 54.840 -0.228 0.000 0.759 467 L CB -0.268 41.685 42.059 -0.177 0.000 0.903 467 L HN 0.366 nan 8.230 nan 0.000 0.435 468 K N -1.609 118.526 120.400 -0.441 0.000 2.166 468 K HA -0.014 4.306 4.320 -0.000 0.000 0.201 468 K C 1.096 177.271 176.600 -0.708 0.000 1.052 468 K CA 0.955 56.864 56.287 -0.630 0.000 0.969 468 K CB 0.251 32.154 32.500 -0.995 0.000 0.761 468 K HN 0.169 nan 8.250 nan 0.000 0.459 469 Y N -2.790 117.391 120.300 -0.200 0.000 2.448 469 Y HA 0.118 4.668 4.550 -0.000 0.000 0.257 469 Y C 0.563 176.520 175.900 0.096 0.000 1.089 469 Y CA -0.718 57.347 58.100 -0.059 0.000 1.245 469 Y CB 0.523 38.986 38.460 0.005 0.000 1.282 469 Y HN 0.053 nan 8.280 nan 0.000 0.529 470 W N 1.441 122.599 121.300 -0.237 0.000 3.330 470 W HA 0.599 5.259 4.660 -0.000 0.000 0.348 470 W C 0.990 177.372 176.519 -0.229 0.000 1.205 470 W CA 0.234 57.447 57.345 -0.219 0.000 1.841 470 W CB -0.147 29.180 29.460 -0.221 0.000 1.084 470 W HN 0.130 nan 8.180 nan 0.000 0.665 471 G N -0.503 108.260 108.800 -0.060 0.000 2.566 471 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.599 471 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.599 471 G C -0.589 174.235 174.900 -0.127 0.000 1.292 471 G CA -0.447 44.645 45.100 -0.013 0.000 0.922 471 G HN -0.074 nan 8.290 nan 0.000 0.514 472 F N -1.508 118.453 119.950 0.018 0.000 1.877 472 F HA 0.411 4.938 4.527 -0.000 0.000 0.229 472 F C 1.714 177.623 175.800 0.182 0.000 1.270 472 F CA 1.441 59.541 58.000 0.166 0.000 1.245 472 F CB -0.574 38.673 39.000 0.412 0.000 2.020 472 F HN 1.001 nan 8.300 nan 0.000 0.123 473 E N -0.133 120.217 120.200 0.250 0.000 4.484 473 E HA -0.374 3.976 4.350 -0.000 0.000 0.162 473 E C 1.019 177.530 176.600 -0.149 0.000 0.911 473 E CA 1.590 57.804 56.400 -0.310 0.000 2.591 473 E CB -1.068 28.323 29.700 -0.515 0.000 1.589 473 E HN 0.419 nan 8.360 nan 0.000 0.602 474 K N 0.551 120.924 120.400 -0.046 0.000 2.425 474 K HA 0.274 4.594 4.320 -0.000 0.000 0.201 474 K C 1.503 178.039 176.600 -0.107 0.000 1.128 474 K CA 0.567 56.816 56.287 -0.064 0.000 1.000 474 K CB 0.261 32.731 32.500 -0.049 0.000 0.961 474 K HN -0.009 nan 8.250 nan 0.000 0.555 475 K N -0.111 120.189 120.400 -0.165 0.000 2.418 475 K HA 0.180 4.500 4.320 -0.000 0.000 0.195 475 K C -0.721 175.365 176.600 -0.856 0.000 1.035 475 K CA 0.408 56.388 56.287 -0.512 0.000 1.003 475 K CB 0.097 32.180 32.500 -0.695 0.000 0.793 475 K HN 0.035 nan 8.250 nan 0.000 0.494 476 F N -0.268 119.639 119.950 -0.072 0.000 2.613 476 F HA 0.143 4.670 4.527 -0.000 0.000 0.314 476 F C 0.550 176.293 175.800 -0.095 0.000 1.075 476 F CA -1.460 56.465 58.000 -0.125 0.000 0.945 476 F CB 1.103 39.978 39.000 -0.209 0.000 1.310 476 F HN -0.200 nan 8.300 nan 0.000 0.467 477 T N -1.188 113.420 114.554 0.091 0.000 2.855 477 T HA 0.154 4.504 4.350 -0.000 0.000 0.314 477 T C -2.061 172.673 174.700 0.057 0.000 1.077 477 T CA -1.148 60.975 62.100 0.039 0.000 1.095 477 T CB 0.888 69.766 68.868 0.016 0.000 0.987 477 T HN 0.305 nan 8.240 nan 0.000 0.546 478 P HA -0.095 nan 4.420 nan 0.000 0.216 478 P C 1.329 178.663 177.300 0.057 0.000 1.153 478 P CA 1.130 64.265 63.100 0.058 0.000 0.858 478 P CB 0.055 31.773 31.700 0.030 0.000 0.789 479 E N -0.898 119.314 120.200 0.020 0.000 2.047 479 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 479 E C 2.042 178.611 176.600 -0.053 0.000 0.987 479 E CA 0.891 57.291 56.400 -0.000 0.000 0.799 479 E CB -1.206 28.495 29.700 0.002 0.000 0.752 479 E HN -0.004 nan 8.360 nan 0.000 0.449 480 V N 0.300 120.149 119.914 -0.109 0.000 2.358 480 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 480 V C 1.982 177.875 176.094 -0.335 0.000 1.047 480 V CA 1.829 63.930 62.300 -0.331 0.000 1.035 480 V CB -0.523 30.961 31.823 -0.566 0.000 0.658 480 V HN 0.322 nan 8.190 nan 0.000 0.452 481 Y N 0.888 121.034 120.300 -0.258 0.000 2.181 481 Y HA -0.285 4.265 4.550 -0.000 0.000 0.288 481 Y C 2.678 178.474 175.900 -0.173 0.000 1.146 481 Y CA 2.220 60.198 58.100 -0.204 0.000 1.164 481 Y CB -0.264 38.165 38.460 -0.052 0.000 0.982 481 Y HN 0.217 nan 8.280 nan 0.000 0.515 482 Q N 0.239 119.957 119.800 -0.136 0.000 2.096 482 Q HA -0.086 4.254 4.340 -0.000 0.000 0.204 482 Q C 2.489 178.327 176.000 -0.270 0.000 0.982 482 Q CA 1.916 57.575 55.803 -0.240 0.000 0.850 482 Q CB -1.123 27.562 28.738 -0.089 0.000 0.901 482 Q HN 0.580 nan 8.270 nan 0.000 0.422 483 G N 0.020 108.734 108.800 -0.144 0.000 2.440 483 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 483 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 483 G C 1.343 176.186 174.900 -0.095 0.000 1.154 483 G CA 0.942 46.009 45.100 -0.054 0.000 0.767 483 G HN 0.385 nan 8.290 nan 0.000 0.552 484 L N -0.063 121.012 121.223 -0.247 0.000 2.017 484 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 484 L C 3.111 179.886 176.870 -0.159 0.000 1.073 484 L CA 0.782 55.498 54.840 -0.206 0.000 0.745 484 L CB -0.392 41.447 42.059 -0.367 0.000 0.894 484 L HN 0.135 nan 8.230 nan 0.000 0.432 485 M N -0.920 118.457 119.600 -0.372 0.000 2.086 485 M HA -0.194 4.286 4.480 -0.000 0.000 0.261 485 M C 2.405 178.652 176.300 -0.089 0.000 1.067 485 M CA 1.744 56.864 55.300 -0.300 0.000 1.116 485 M CB -1.534 30.771 32.600 -0.492 0.000 1.348 485 M HN 0.260 nan 8.290 nan 0.000 0.407 486 H N -0.319 118.723 119.070 -0.048 0.000 2.387 486 H HA -0.003 4.553 4.556 -0.000 0.000 0.299 486 H C 2.238 177.576 175.328 0.017 0.000 1.090 486 H CA 1.672 57.714 56.048 -0.011 0.000 1.332 486 H CB -0.869 28.878 29.762 -0.025 0.000 1.386 486 H HN 0.436 nan 8.280 nan 0.000 0.516 487 G N -0.418 108.470 108.800 0.148 0.000 2.408 487 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.217 487 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.217 487 G C 1.736 176.695 174.900 0.098 0.000 1.150 487 G CA 0.608 45.772 45.100 0.107 0.000 0.776 487 G HN 0.429 nan 8.290 nan 0.000 0.542 488 Y N 1.984 122.338 120.300 0.089 0.000 2.081 488 Y HA -0.208 4.342 4.550 -0.000 0.000 0.280 488 Y C 2.494 178.480 175.900 0.142 0.000 1.163 488 Y CA 2.276 60.499 58.100 0.205 0.000 1.135 488 Y CB -0.119 38.428 38.460 0.145 0.000 0.970 488 Y HN 0.204 nan 8.280 nan 0.000 0.498 489 D N 0.019 120.539 120.400 0.200 0.000 2.123 489 D HA -0.175 4.465 4.640 -0.000 0.000 0.196 489 D C 2.037 178.291 176.300 -0.077 0.000 0.992 489 D CA 1.646 55.692 54.000 0.076 0.000 0.833 489 D CB -0.275 40.593 40.800 0.113 0.000 0.954 489 D HN 0.407 nan 8.370 nan 0.000 0.455 490 K N -0.278 120.073 120.400 -0.082 0.000 2.097 490 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 490 K C 1.918 178.347 176.600 -0.285 0.000 1.049 490 K CA 0.564 56.766 56.287 -0.142 0.000 0.933 490 K CB -0.063 32.382 32.500 -0.092 0.000 0.717 490 K HN 0.075 nan 8.250 nan 0.000 0.442 491 L N -0.476 120.476 121.223 -0.453 0.000 2.130 491 L HA 0.053 4.393 4.340 -0.000 0.000 0.200 491 L C 1.581 177.886 176.870 -0.942 0.000 1.075 491 L CA 1.652 55.986 54.840 -0.843 0.000 0.768 491 L CB -0.242 41.053 42.059 -1.272 0.000 0.933 491 L HN -0.015 nan 8.230 nan 0.000 0.451 492 F N -0.572 119.089 119.950 -0.482 0.000 2.656 492 F HA 0.235 4.762 4.527 -0.000 0.000 0.291 492 F C 2.147 177.867 175.800 -0.132 0.000 1.122 492 F CA 0.337 58.115 58.000 -0.369 0.000 1.427 492 F CB -0.201 38.406 39.000 -0.655 0.000 1.125 492 F HN -0.044 nan 8.300 nan 0.000 0.583 493 R N -0.402 120.062 120.500 -0.060 0.000 2.397 493 R HA 0.174 4.513 4.340 -0.000 0.000 0.241 493 R C 0.844 177.083 176.300 -0.101 0.000 0.914 493 R CA 0.369 56.459 56.100 -0.015 0.000 1.071 493 R CB 0.330 30.624 30.300 -0.011 0.000 1.116 493 R HN 0.324 nan 8.270 nan 0.000 0.524 494 E N -0.207 119.884 120.200 -0.183 0.000 3.249 494 E HA 0.021 4.371 4.350 -0.000 0.000 0.184 494 E C 1.205 177.639 176.600 -0.276 0.000 1.163 494 E CA -0.212 56.068 56.400 -0.200 0.000 1.353 494 E CB -0.073 29.529 29.700 -0.163 0.000 1.466 494 E HN -0.072 nan 8.360 nan 0.000 0.502 495 L N 1.982 123.012 121.223 -0.321 0.000 1.994 495 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 495 L C 2.074 178.672 176.870 -0.452 0.000 1.071 495 L CA 1.718 56.346 54.840 -0.354 0.000 0.745 495 L CB -0.481 41.357 42.059 -0.368 0.000 0.892 495 L HN 0.154 nan 8.230 nan 0.000 0.431 496 L N 0.057 120.933 121.223 -0.579 0.000 1.994 496 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 496 L C -0.180 176.157 176.870 -0.888 0.000 1.071 496 L CA 1.443 55.822 54.840 -0.769 0.000 0.745 496 L CB -2.171 39.420 42.059 -0.781 0.000 0.892 496 L HN 0.286 nan 8.230 nan 0.000 0.431 497 P HA -0.137 nan 4.420 nan 0.000 0.218 497 P C 1.710 178.690 177.300 -0.532 0.000 1.149 497 P CA 1.820 64.305 63.100 -1.025 0.000 0.817 497 P CB -0.043 31.257 31.700 -0.667 0.000 0.785 498 S N -0.943 114.515 115.700 -0.404 0.000 2.383 498 S HA -0.105 4.365 4.470 -0.000 0.000 0.227 498 S C 1.958 176.401 174.600 -0.262 0.000 1.026 498 S CA 1.761 59.792 58.200 -0.282 0.000 0.981 498 S CB -1.939 61.124 63.200 -0.228 0.000 0.818 498 S HN 0.105 nan 8.310 nan 0.000 0.472 499 T N 2.196 116.578 114.554 -0.287 0.000 2.821 499 T HA 0.046 4.396 4.350 -0.000 0.000 0.267 499 T C 1.898 176.510 174.700 -0.147 0.000 1.046 499 T CA 1.255 63.262 62.100 -0.154 0.000 1.139 499 T CB -0.493 68.248 68.868 -0.211 0.000 0.871 499 T HN 0.290 nan 8.240 nan 0.000 0.454 500 V N 1.387 121.117 119.914 -0.307 0.000 2.427 500 V HA -0.111 4.009 4.120 -0.000 0.000 0.248 500 V C 2.492 178.466 176.094 -0.201 0.000 1.051 500 V CA 1.437 63.564 62.300 -0.289 0.000 1.048 500 V CB -0.484 31.158 31.823 -0.302 0.000 0.666 500 V HN 0.297 nan 8.190 nan 0.000 0.456 501 K N 0.605 120.872 120.400 -0.223 0.000 2.097 501 K HA -0.215 4.105 4.320 -0.000 0.000 0.206 501 K C 2.042 178.505 176.600 -0.228 0.000 1.049 501 K CA 1.719 57.893 56.287 -0.187 0.000 0.933 501 K CB -0.198 32.191 32.500 -0.185 0.000 0.717 501 K HN 0.463 nan 8.250 nan 0.000 0.442 502 E N -1.048 118.967 120.200 -0.310 0.000 2.076 502 E HA -0.032 4.318 4.350 -0.000 0.000 0.190 502 E C 0.945 177.132 176.600 -0.688 0.000 0.979 502 E CA 1.316 57.389 56.400 -0.545 0.000 0.807 502 E CB -0.060 29.202 29.700 -0.730 0.000 0.761 502 E HN 0.335 nan 8.360 nan 0.000 0.454 503 F N -0.629 119.185 119.950 -0.228 0.000 2.704 503 F HA 0.321 4.848 4.527 -0.000 0.000 0.304 503 F C 0.371 175.984 175.800 -0.311 0.000 1.094 503 F CA -0.093 57.743 58.000 -0.273 0.000 1.275 503 F CB 0.882 39.713 39.000 -0.282 0.000 1.073 503 F HN -0.107 nan 8.300 nan 0.000 0.586 504 D N -0.947 119.389 120.400 -0.107 0.000 3.118 504 D HA 0.155 4.795 4.640 -0.000 0.000 0.286 504 D C 0.673 176.967 176.300 -0.011 0.000 1.255 504 D CA 0.179 54.143 54.000 -0.060 0.000 0.748 504 D CB 0.293 41.127 40.800 0.057 0.000 1.332 504 D HN -0.148 nan 8.370 nan 0.000 0.575 505 S N -0.256 115.416 115.700 -0.047 0.000 2.442 505 S HA -0.108 4.362 4.470 -0.000 0.000 0.236 505 S C 1.077 175.686 174.600 0.015 0.000 1.007 505 S CA 0.703 58.881 58.200 -0.037 0.000 0.965 505 S CB 0.250 63.413 63.200 -0.061 0.000 0.773 505 S HN 0.388 nan 8.310 nan 0.000 0.504 506 D N 0.651 121.081 120.400 0.050 0.000 2.340 506 D HA 0.149 4.788 4.640 -0.000 0.000 0.217 506 D C 0.491 176.844 176.300 0.088 0.000 1.081 506 D CA 0.185 54.220 54.000 0.059 0.000 0.842 506 D CB 0.320 41.154 40.800 0.058 0.000 0.934 506 D HN 0.316 nan 8.370 nan 0.000 0.511 507 R N 0.221 120.800 120.500 0.132 0.000 2.604 507 R HA 0.328 4.668 4.340 -0.000 0.000 0.287 507 R C -0.430 176.015 176.300 0.241 0.000 0.970 507 R CA -0.892 55.327 56.100 0.199 0.000 0.946 507 R CB 1.673 32.148 30.300 0.293 0.000 1.127 507 R HN -0.109 nan 8.270 nan 0.000 0.473 508 F N 2.590 122.569 119.950 0.048 0.000 2.484 508 F HA 0.121 4.648 4.527 -0.000 0.000 0.360 508 F C -0.732 175.156 175.800 0.147 0.000 1.101 508 F CA -0.015 57.986 58.000 0.001 0.000 1.251 508 F CB 0.333 39.219 39.000 -0.190 0.000 1.132 508 F HN 0.388 nan 8.300 nan 0.000 0.570 509 Y N 6.209 126.064 120.300 -0.742 0.000 2.409 509 Y HA 0.616 5.166 4.550 -0.000 0.000 0.343 509 Y C -1.780 173.514 175.900 -1.010 0.000 0.973 509 Y CA -1.035 56.724 58.100 -0.569 0.000 1.064 509 Y CB 1.550 39.893 38.460 -0.195 0.000 1.207 509 Y HN 0.560 nan 8.280 nan 0.000 0.452 510 V N 6.639 125.782 119.914 -1.285 0.000 2.735 510 V HA 0.266 4.386 4.120 -0.000 0.000 0.310 510 V C 0.120 175.615 176.094 -0.999 0.000 1.061 510 V CA -0.404 61.358 62.300 -0.897 0.000 0.913 510 V CB 1.485 33.096 31.823 -0.354 0.000 1.005 510 V HN 1.053 nan 8.190 nan 0.000 0.428 511 H N 3.237 122.045 119.070 -0.437 0.000 2.495 511 H HA 0.371 4.927 4.556 -0.000 0.000 0.287 511 H C 0.746 176.065 175.328 -0.015 0.000 1.033 511 H CA 0.973 56.942 56.048 -0.132 0.000 1.307 511 H CB 0.184 30.067 29.762 0.201 0.000 1.401 511 H HN 0.549 nan 8.280 nan 0.000 0.555 512 S N -0.957 114.486 115.700 -0.429 0.000 2.552 512 S HA 0.466 4.936 4.470 -0.000 0.000 0.272 512 S C -1.543 173.045 174.600 -0.021 0.000 1.150 512 S CA -0.568 57.548 58.200 -0.141 0.000 0.849 512 S CB 1.645 64.827 63.200 -0.031 0.000 1.113 512 S HN 0.371 nan 8.310 nan 0.000 0.458 513 S N 3.262 119.036 115.700 0.124 0.000 2.552 513 S HA 0.734 5.203 4.470 -0.000 0.000 0.314 513 S C -2.903 171.595 174.600 -0.171 0.000 1.099 513 S CA -1.613 56.702 58.200 0.193 0.000 1.070 513 S CB 1.348 64.896 63.200 0.579 0.000 0.998 513 S HN 0.539 nan 8.310 nan 0.000 0.474 514 P HA 0.193 nan 4.420 nan 0.000 0.284 514 P C 0.030 177.260 177.300 -0.117 0.000 1.253 514 P CA -0.452 62.510 63.100 -0.231 0.000 0.800 514 P CB 0.396 31.948 31.700 -0.246 0.000 0.961 515 Y N 2.555 122.796 120.300 -0.098 0.000 2.457 515 Y HA 0.129 4.678 4.550 -0.000 0.000 0.292 515 Y C 1.239 177.158 175.900 0.031 0.000 1.125 515 Y CA 0.873 58.893 58.100 -0.133 0.000 1.254 515 Y CB -0.518 37.827 38.460 -0.191 0.000 1.012 515 Y HN 0.215 nan 8.280 nan 0.000 0.555 516 L N -0.158 120.925 121.223 -0.232 0.000 2.718 516 L HA 0.611 4.950 4.340 -0.000 0.000 0.247 516 L C 0.979 177.840 176.870 -0.016 0.000 1.028 516 L CA 0.505 55.329 54.840 -0.026 0.000 1.031 516 L CB -0.563 41.504 42.059 0.013 0.000 1.910 516 L HN 0.075 nan 8.230 nan 0.000 0.526 517 A N 1.532 124.290 122.820 -0.103 0.000 2.531 517 A HA 0.314 4.634 4.320 -0.000 0.000 0.236 517 A C -0.049 177.597 177.584 0.104 0.000 1.062 517 A CA 0.362 52.435 52.037 0.060 0.000 0.760 517 A CB -0.354 18.709 19.000 0.106 0.000 0.995 517 A HN 0.500 nan 8.150 nan 0.000 0.501 518 N N 2.264 121.051 118.700 0.145 0.000 2.225 518 N HA 0.168 4.908 4.740 -0.000 0.000 0.298 518 N C 0.702 176.399 175.510 0.312 0.000 1.076 518 N CA -0.642 52.433 53.050 0.042 0.000 0.792 518 N CB 1.033 39.203 38.487 -0.529 0.000 1.498 518 N HN 0.857 nan 8.380 nan 0.000 0.474 519 W N 2.989 124.443 121.300 0.257 0.000 2.525 519 W HA 0.163 4.823 4.660 -0.000 0.000 0.259 519 W C 0.550 177.326 176.519 0.429 0.000 1.253 519 W CA 0.755 58.330 57.345 0.385 0.000 1.262 519 W CB -0.546 29.079 29.460 0.275 0.000 1.122 519 W HN 0.568 nan 8.180 nan 0.000 0.607 520 G N 1.573 110.219 108.800 -0.256 0.000 3.088 520 G HA2 0.013 3.973 3.960 -0.000 0.000 0.212 520 G HA3 0.013 3.973 3.960 -0.000 0.000 0.212 520 G C 0.562 175.354 174.900 -0.180 0.000 1.173 520 G CA -0.334 44.581 45.100 -0.308 0.000 0.779 520 G HN -0.077 nan 8.290 nan 0.000 0.540 521 R N 0.247 120.660 120.500 -0.144 0.000 2.443 521 R HA 0.263 4.603 4.340 -0.000 0.000 0.287 521 R C -2.339 173.558 176.300 -0.672 0.000 1.425 521 R CA -2.080 53.844 56.100 -0.294 0.000 1.300 521 R CB 1.573 31.733 30.300 -0.234 0.000 1.129 521 R HN -0.017 nan 8.270 nan 0.000 0.577 522 P HA -0.189 nan 4.420 nan 0.000 0.219 522 P C 1.142 177.761 177.300 -1.134 0.000 1.146 522 P CA 1.085 63.087 63.100 -1.829 0.000 0.808 522 P CB 0.413 31.488 31.700 -1.042 0.000 0.779 523 E N 0.203 120.065 120.200 -0.563 0.000 2.418 523 E HA -0.084 4.266 4.350 -0.000 0.000 0.197 523 E C 1.344 177.831 176.600 -0.187 0.000 1.026 523 E CA 1.248 57.481 56.400 -0.279 0.000 0.862 523 E CB -0.886 28.720 29.700 -0.158 0.000 0.799 523 E HN 0.325 nan 8.360 nan 0.000 0.518 524 S N -0.772 114.769 115.700 -0.265 0.000 2.558 524 S HA 0.018 4.488 4.470 -0.000 0.000 0.217 524 S C 1.234 175.904 174.600 0.117 0.000 0.975 524 S CA -0.398 57.770 58.200 -0.054 0.000 0.912 524 S CB -0.622 62.568 63.200 -0.017 0.000 0.776 524 S HN 0.244 nan 8.310 nan 0.000 0.526 525 W N 2.266 123.603 121.300 0.061 0.000 2.595 525 W HA 0.361 5.021 4.660 -0.000 0.000 0.257 525 W C 2.106 178.686 176.519 0.100 0.000 1.267 525 W CA 0.058 57.452 57.345 0.081 0.000 1.300 525 W CB -1.311 28.220 29.460 0.118 0.000 1.120 525 W HN 0.523 nan 8.180 nan 0.000 0.618 526 G N -0.435 108.548 108.800 0.304 0.000 2.920 526 G HA2 0.008 3.968 3.960 -0.000 0.000 0.208 526 G HA3 0.008 3.968 3.960 -0.000 0.000 0.208 526 G C 0.090 175.051 174.900 0.102 0.000 1.159 526 G CA 0.272 45.498 45.100 0.210 0.000 0.784 526 G HN 0.011 nan 8.290 nan 0.000 0.535 527 T N 1.088 115.700 114.554 0.096 0.000 2.874 527 T HA 0.571 4.921 4.350 -0.000 0.000 0.321 527 T C 0.787 175.435 174.700 -0.085 0.000 1.075 527 T CA 0.298 62.433 62.100 0.059 0.000 0.966 527 T CB 1.063 69.969 68.868 0.063 0.000 1.001 527 T HN 0.814 nan 8.240 nan 0.000 0.476 528 G N 4.210 113.022 108.800 0.020 0.000 2.562 528 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.250 528 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.250 528 G C -0.604 174.161 174.900 -0.224 0.000 1.269 528 G CA -0.146 44.896 45.100 -0.096 0.000 0.919 528 G HN 0.839 nan 8.290 nan 0.000 0.574 529 D N -0.041 120.054 120.400 -0.508 0.000 2.283 529 D HA 0.592 5.231 4.640 -0.000 0.000 0.248 529 D C -0.115 176.124 176.300 -0.103 0.000 1.072 529 D CA 0.073 53.904 54.000 -0.282 0.000 0.929 529 D CB 1.506 42.037 40.800 -0.450 0.000 1.182 529 D HN 0.468 nan 8.370 nan 0.000 0.433 530 S N -0.219 115.506 115.700 0.041 0.000 2.501 530 S HA 0.257 4.727 4.470 -0.000 0.000 0.301 530 S C -0.565 174.185 174.600 0.250 0.000 1.096 530 S CA -0.716 57.531 58.200 0.078 0.000 1.063 530 S CB 0.936 64.103 63.200 -0.055 0.000 1.042 530 S HN 0.392 nan 8.310 nan 0.000 0.494 531 H N 2.604 121.723 119.070 0.083 0.000 2.741 531 H HA 0.214 4.770 4.556 -0.000 0.000 0.261 531 H C -0.269 175.064 175.328 0.008 0.000 1.365 531 H CA -0.537 55.562 56.048 0.086 0.000 1.266 531 H CB 0.319 30.297 29.762 0.361 0.000 1.485 531 H HN 0.322 nan 8.280 nan 0.000 0.529 532 N N 2.922 121.542 118.700 -0.132 0.000 2.482 532 N HA -0.044 4.696 4.740 -0.000 0.000 0.242 532 N C -0.398 174.901 175.510 -0.353 0.000 1.100 532 N CA -0.244 52.711 53.050 -0.159 0.000 0.946 532 N CB 0.274 38.572 38.487 -0.315 0.000 1.227 532 N HN 0.631 nan 8.380 nan 0.000 0.508 533 W N 2.085 123.182 121.300 -0.338 0.000 3.151 533 W HA 0.335 4.995 4.660 -0.000 0.000 0.424 533 W C 1.830 177.774 176.519 -0.959 0.000 1.012 533 W CA -0.683 56.292 57.345 -0.617 0.000 2.018 533 W CB 0.446 29.527 29.460 -0.632 0.000 1.087 533 W HN 0.601 nan 8.180 nan 0.000 0.740 534 G N 0.421 109.022 108.800 -0.332 0.000 2.446 534 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 534 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 534 G C 0.663 175.586 174.900 0.038 0.000 1.168 534 G CA 0.514 45.584 45.100 -0.051 0.000 0.771 534 G HN -0.036 nan 8.290 nan 0.000 0.551 535 V N 1.012 120.988 119.914 0.104 0.000 2.655 535 V HA 0.186 4.306 4.120 -0.000 0.000 0.300 535 V C 0.907 177.239 176.094 0.397 0.000 1.044 535 V CA 0.247 62.690 62.300 0.238 0.000 1.095 535 V CB 0.405 32.375 31.823 0.245 0.000 0.952 535 V HN 0.623 nan 8.190 nan 0.000 0.485 536 W N 3.620 125.040 121.300 0.200 0.000 1.616 536 W HA -0.405 4.255 4.660 0.000 0.000 0.274 536 W C 1.400 177.918 176.519 -0.002 0.000 1.827 536 W CA 1.893 59.264 57.345 0.043 0.000 2.176 536 W CB -1.436 28.084 29.460 0.100 0.000 1.002 536 W HN 0.586 nan 8.180 nan 0.000 0.442 537 Y N 1.156 121.530 120.300 0.124 0.000 2.224 537 Y HA 0.041 4.591 4.550 -0.000 0.000 0.289 537 Y C 2.652 178.505 175.900 -0.078 0.000 1.146 537 Y CA 2.593 60.628 58.100 -0.109 0.000 1.182 537 Y CB -1.301 37.083 38.460 -0.127 0.000 0.983 537 Y HN 0.269 nan 8.280 nan 0.000 0.524 538 G N -0.957 107.829 108.800 -0.024 0.000 3.042 538 G HA2 0.001 3.961 3.960 -0.000 0.000 0.212 538 G HA3 0.001 3.961 3.960 -0.000 0.000 0.212 538 G C 0.725 175.728 174.900 0.172 0.000 1.166 538 G CA 0.063 45.299 45.100 0.226 0.000 0.767 538 G HN 0.301 nan 8.290 nan 0.000 0.546 539 K N -0.784 119.684 120.400 0.114 0.000 3.349 539 K HA -0.189 4.131 4.320 -0.000 0.000 0.310 539 K C 0.237 176.827 176.600 -0.017 0.000 1.267 539 K CA 0.844 57.178 56.287 0.079 0.000 0.920 539 K CB -1.046 31.444 32.500 -0.016 0.000 1.240 539 K HN 0.405 nan 8.250 nan 0.000 0.453 540 K N 1.533 121.986 120.400 0.088 0.000 2.355 540 K HA 0.110 4.429 4.320 -0.000 0.000 0.270 540 K C -2.067 174.483 176.600 -0.083 0.000 1.003 540 K CA -1.255 55.047 56.287 0.026 0.000 0.957 540 K CB 0.307 32.870 32.500 0.105 0.000 0.939 540 K HN -0.047 nan 8.250 nan 0.000 0.482 541 P HA -0.017 nan 4.420 nan 0.000 0.272 541 P C 0.200 177.451 177.300 -0.082 0.000 1.230 541 P CA -0.101 62.876 63.100 -0.206 0.000 0.788 541 P CB 0.360 31.983 31.700 -0.128 0.000 0.949 542 F N 0.432 120.430 119.950 0.081 0.000 2.236 542 F HA -0.176 4.351 4.527 -0.000 0.000 0.302 542 F C 2.072 177.908 175.800 0.059 0.000 1.073 542 F CA 1.667 59.701 58.000 0.057 0.000 1.336 542 F CB -1.221 37.752 39.000 -0.045 0.000 1.040 542 F HN 0.307 nan 8.300 nan 0.000 0.507 543 E N -0.210 120.082 120.200 0.153 0.000 2.409 543 E HA -0.125 4.225 4.350 -0.000 0.000 0.198 543 E C 2.266 178.957 176.600 0.152 0.000 1.024 543 E CA 0.971 57.454 56.400 0.138 0.000 0.861 543 E CB -0.685 29.041 29.700 0.043 0.000 0.788 543 E HN 0.383 nan 8.360 nan 0.000 0.521 544 S N 0.177 115.950 115.700 0.122 0.000 2.442 544 S HA -0.139 4.331 4.470 -0.000 0.000 0.236 544 S C 1.846 176.500 174.600 0.089 0.000 1.007 544 S CA 0.673 58.937 58.200 0.106 0.000 0.965 544 S CB -0.406 62.853 63.200 0.099 0.000 0.773 544 S HN 0.270 nan 8.310 nan 0.000 0.504 545 L N 1.345 122.637 121.223 0.114 0.000 2.275 545 L HA -0.060 4.280 4.340 -0.000 0.000 0.215 545 L C 2.090 178.964 176.870 0.006 0.000 1.119 545 L CA 1.106 55.972 54.840 0.042 0.000 0.790 545 L CB -0.596 41.489 42.059 0.044 0.000 0.919 545 L HN 0.262 nan 8.230 nan 0.000 0.443 546 D N -0.548 119.882 120.400 0.051 0.000 2.178 546 D HA -0.128 4.512 4.640 -0.000 0.000 0.202 546 D C 2.145 178.457 176.300 0.020 0.000 0.974 546 D CA 1.981 55.986 54.000 0.009 0.000 0.841 546 D CB 0.075 40.913 40.800 0.064 0.000 0.953 546 D HN 0.454 nan 8.370 nan 0.000 0.478 547 T N -2.286 112.301 114.554 0.054 0.000 3.038 547 T HA 0.006 4.356 4.350 -0.000 0.000 0.244 547 T C 0.725 175.492 174.700 0.111 0.000 1.016 547 T CA -0.139 62.006 62.100 0.076 0.000 1.098 547 T CB 0.121 69.050 68.868 0.103 0.000 0.954 547 T HN -0.250 nan 8.240 nan 0.000 0.469 548 D N 2.422 122.866 120.400 0.072 0.000 2.713 548 D HA 0.378 5.018 4.640 -0.000 0.000 0.229 548 D C -0.403 175.802 176.300 -0.159 0.000 1.136 548 D CA -0.075 53.915 54.000 -0.017 0.000 1.010 548 D CB -0.251 40.382 40.800 -0.277 0.000 1.084 548 D HN 0.473 nan 8.370 nan 0.000 0.495 549 L N 2.063 123.325 121.223 0.066 0.000 2.350 549 L HA 0.412 4.752 4.340 -0.000 0.000 0.275 549 L C -1.893 175.090 176.870 0.188 0.000 1.099 549 L CA -1.549 53.341 54.840 0.084 0.000 0.808 549 L CB 0.992 43.112 42.059 0.102 0.000 1.149 549 L HN 0.004 nan 8.230 nan 0.000 0.442 550 P HA 0.360 nan 4.420 nan 0.000 0.285 550 P C -0.440 176.923 177.300 0.106 0.000 1.285 550 P CA -0.756 62.379 63.100 0.058 0.000 0.854 550 P CB 1.506 33.105 31.700 -0.169 0.000 1.180 551 R N -0.115 120.397 120.500 0.020 0.000 2.193 551 R HA 0.230 4.569 4.340 -0.000 0.000 0.213 551 R C 0.215 176.607 176.300 0.153 0.000 1.055 551 R CA 0.649 56.722 56.100 -0.044 0.000 0.995 551 R CB -0.808 29.490 30.300 -0.003 0.000 0.893 551 R HN 0.584 nan 8.270 nan 0.000 0.459 552 F N -0.306 119.621 119.950 -0.040 0.000 2.651 552 F HA 0.272 4.799 4.527 -0.000 0.000 0.327 552 F C -1.339 174.392 175.800 -0.115 0.000 1.133 552 F CA -1.163 56.823 58.000 -0.023 0.000 1.076 552 F CB 1.244 40.359 39.000 0.193 0.000 1.315 552 F HN -0.239 nan 8.300 nan 0.000 0.499 553 M N 5.341 124.731 119.600 -0.350 0.000 2.111 553 M HA 0.257 4.736 4.480 -0.000 0.000 0.351 553 M C 0.426 176.728 176.300 0.003 0.000 1.214 553 M CA 0.197 55.350 55.300 -0.246 0.000 1.120 553 M CB 0.737 32.968 32.600 -0.616 0.000 1.443 553 M HN 0.535 nan 8.290 nan 0.000 0.429 554 S N 2.403 118.235 115.700 0.221 0.000 2.496 554 S HA 0.228 4.698 4.470 -0.000 0.000 0.224 554 S C 0.068 174.586 174.600 -0.138 0.000 0.996 554 S CA 0.075 58.348 58.200 0.121 0.000 0.927 554 S CB -0.178 63.070 63.200 0.080 0.000 0.774 554 S HN 0.744 nan 8.310 nan 0.000 0.524 555 E N -0.011 120.094 120.200 -0.159 0.000 2.335 555 E HA 0.595 4.945 4.350 -0.000 0.000 0.280 555 E C -1.510 174.963 176.600 -0.213 0.000 0.918 555 E CA -0.809 55.471 56.400 -0.201 0.000 0.765 555 E CB 2.330 31.793 29.700 -0.395 0.000 1.218 555 E HN 0.451 nan 8.360 nan 0.000 0.425 556 F N -0.563 119.067 119.950 -0.533 0.000 2.719 556 F HA 0.857 5.383 4.527 -0.000 0.000 0.309 556 F C -0.600 174.851 175.800 -0.583 0.000 1.138 556 F CA -0.606 56.873 58.000 -0.868 0.000 0.943 556 F CB 1.713 40.466 39.000 -0.411 0.000 1.304 556 F HN 0.589 nan 8.300 nan 0.000 0.445 557 G N 0.736 109.040 108.800 -0.826 0.000 2.451 557 G HA2 0.555 4.515 3.960 -0.000 0.000 0.292 557 G HA3 0.555 4.515 3.960 -0.000 0.000 0.292 557 G C -2.800 172.289 174.900 0.315 0.000 1.427 557 G CA -0.823 44.114 45.100 -0.272 0.000 0.792 557 G HN 1.136 nan 8.290 nan 0.000 0.498 558 F N 0.068 120.140 119.950 0.204 0.000 2.635 558 F HA 0.543 5.070 4.527 -0.000 0.000 0.314 558 F C -0.272 175.378 175.800 -0.249 0.000 1.119 558 F CA -0.695 57.360 58.000 0.092 0.000 1.000 558 F CB 1.943 41.035 39.000 0.154 0.000 1.278 558 F HN 0.558 nan 8.300 nan 0.000 0.446 559 Q N 2.513 121.370 119.800 -1.571 0.000 2.312 559 Q HA 0.637 4.977 4.340 -0.000 0.000 0.236 559 Q C -0.861 174.733 176.000 -0.677 0.000 0.965 559 Q CA -0.481 54.507 55.803 -1.358 0.000 0.894 559 Q CB 1.736 29.319 28.738 -1.925 0.000 1.225 559 Q HN 0.690 nan 8.270 nan 0.000 0.478 560 S N 0.002 115.414 115.700 -0.481 0.000 2.541 560 S HA 0.518 4.988 4.470 -0.000 0.000 0.271 560 S C -0.867 173.609 174.600 -0.207 0.000 1.133 560 S CA -0.892 57.169 58.200 -0.231 0.000 0.876 560 S CB 0.552 63.641 63.200 -0.185 0.000 1.105 560 S HN 0.366 nan 8.310 nan 0.000 0.470 561 F N 3.064 122.910 119.950 -0.174 0.000 2.602 561 F HA 0.326 4.853 4.527 -0.000 0.000 0.367 561 F C -1.424 174.303 175.800 -0.123 0.000 1.126 561 F CA -0.865 57.071 58.000 -0.107 0.000 1.321 561 F CB 0.247 39.203 39.000 -0.073 0.000 1.094 561 F HN 0.421 nan 8.300 nan 0.000 0.594 562 P HA 0.082 nan 4.420 nan 0.000 0.274 562 P C -0.796 176.568 177.300 0.107 0.000 1.246 562 P CA -0.579 62.560 63.100 0.065 0.000 0.795 562 P CB 0.598 32.353 31.700 0.092 0.000 1.006 563 E N 0.896 121.159 120.200 0.105 0.000 2.428 563 E HA 0.010 4.360 4.350 -0.000 0.000 0.257 563 E C 1.012 177.693 176.600 0.134 0.000 1.197 563 E CA -0.565 55.919 56.400 0.140 0.000 0.974 563 E CB 0.087 29.938 29.700 0.252 0.000 0.976 563 E HN 0.157 nan 8.360 nan 0.000 0.463 564 M N 1.190 120.862 119.600 0.120 0.000 2.202 564 M HA -0.176 4.304 4.480 -0.000 0.000 0.262 564 M C 2.026 178.360 176.300 0.056 0.000 1.063 564 M CA 2.065 57.392 55.300 0.046 0.000 1.097 564 M CB -1.268 31.356 32.600 0.040 0.000 1.382 564 M HN 0.691 nan 8.290 nan 0.000 0.413 565 K N -1.457 119.000 120.400 0.094 0.000 2.211 565 K HA -0.058 4.262 4.320 -0.000 0.000 0.203 565 K C 1.687 178.327 176.600 0.067 0.000 1.050 565 K CA 1.615 57.943 56.287 0.069 0.000 0.945 565 K CB -0.656 31.883 32.500 0.065 0.000 0.732 565 K HN 0.151 nan 8.250 nan 0.000 0.451 566 T N 1.946 116.588 114.554 0.146 0.000 2.812 566 T HA 0.058 4.408 4.350 -0.000 0.000 0.264 566 T C 1.927 176.735 174.700 0.180 0.000 1.042 566 T CA 0.982 63.246 62.100 0.274 0.000 1.140 566 T CB -0.167 68.929 68.868 0.381 0.000 0.870 566 T HN 0.158 nan 8.240 nan 0.000 0.445 567 I N 1.654 122.223 120.570 -0.003 0.000 2.151 567 I HA -0.231 3.939 4.170 -0.000 0.000 0.243 567 I C 2.891 178.716 176.117 -0.487 0.000 1.080 567 I CA 1.310 62.335 61.300 -0.459 0.000 1.339 567 I CB -0.496 37.342 38.000 -0.271 0.000 1.039 567 I HN 0.188 nan 8.210 nan 0.000 0.409 568 A N 0.615 123.369 122.820 -0.109 0.000 2.070 568 A HA -0.086 4.234 4.320 -0.000 0.000 0.220 568 A C 2.461 180.092 177.584 0.078 0.000 1.159 568 A CA 1.581 53.642 52.037 0.040 0.000 0.656 568 A CB -0.639 18.423 19.000 0.104 0.000 0.800 568 A HN 0.465 nan 8.150 nan 0.000 0.453 569 A N -0.749 122.126 122.820 0.091 0.000 2.067 569 A HA 0.149 4.469 4.320 -0.000 0.000 0.219 569 A C 1.602 179.452 177.584 0.443 0.000 1.158 569 A CA 1.344 53.532 52.037 0.252 0.000 0.661 569 A CB -0.599 18.564 19.000 0.272 0.000 0.801 569 A HN 1.145 nan 8.150 nan 0.000 0.452 570 F N -3.882 116.141 119.950 0.120 0.000 2.746 570 F HA 0.759 5.286 4.527 -0.000 0.000 0.320 570 F C 0.235 175.659 175.800 -0.625 0.000 1.097 570 F CA -0.292 57.587 58.000 -0.201 0.000 1.195 570 F CB 0.040 38.806 39.000 -0.391 0.000 1.056 570 F HN 0.187 nan 8.300 nan 0.000 0.562 571 A N 1.087 123.621 122.820 -0.478 0.000 2.539 571 A HA 0.871 5.191 4.320 -0.000 0.000 0.296 571 A C -0.939 176.640 177.584 -0.008 0.000 1.073 571 A CA -0.469 51.371 52.037 -0.328 0.000 0.700 571 A CB 0.836 19.608 19.000 -0.381 0.000 1.296 571 A HN 0.554 nan 8.150 nan 0.000 0.405 572 A N 1.302 124.116 122.820 -0.010 0.000 2.282 572 A HA 0.757 5.077 4.320 -0.000 0.000 0.319 572 A C -1.895 175.377 177.584 -0.519 0.000 1.121 572 A CA -1.727 50.252 52.037 -0.096 0.000 0.836 572 A CB 0.149 19.145 19.000 -0.007 0.000 1.146 572 A HN 0.469 nan 8.150 nan 0.000 0.494 573 P HA -0.178 nan 4.420 nan 0.000 0.217 573 P C 0.602 177.423 177.300 -0.800 0.000 1.148 573 P CA 1.606 63.913 63.100 -1.322 0.000 0.828 573 P CB 0.113 31.401 31.700 -0.686 0.000 0.783 574 E N -0.605 119.350 120.200 -0.408 0.000 2.267 574 E HA -0.164 4.186 4.350 -0.000 0.000 0.197 574 E C 1.162 177.642 176.600 -0.199 0.000 0.998 574 E CA 1.042 57.301 56.400 -0.235 0.000 0.830 574 E CB -0.853 28.767 29.700 -0.133 0.000 0.751 574 E HN 0.377 nan 8.360 nan 0.000 0.491 575 D N -0.455 119.807 120.400 -0.231 0.000 2.339 575 D HA -0.042 4.598 4.640 -0.000 0.000 0.217 575 D C -0.142 176.063 176.300 -0.159 0.000 1.050 575 D CA 0.128 54.053 54.000 -0.125 0.000 0.856 575 D CB 0.030 40.792 40.800 -0.064 0.000 0.922 575 D HN 0.399 nan 8.370 nan 0.000 0.518 576 Y N 1.697 121.679 120.300 -0.531 0.000 2.734 576 Y HA 0.146 4.696 4.550 -0.000 0.000 0.353 576 Y C 0.246 175.593 175.900 -0.921 0.000 1.244 576 Y CA -0.578 56.834 58.100 -1.145 0.000 1.950 576 Y CB -0.249 37.659 38.460 -0.921 0.000 2.028 576 Y HN -0.218 nan 8.280 nan 0.000 0.421 577 Q N 0.300 119.828 119.800 -0.454 0.000 2.397 577 Q HA 0.249 4.589 4.340 -0.000 0.000 0.275 577 Q C 0.968 176.995 176.000 0.045 0.000 1.090 577 Q CA -0.685 55.047 55.803 -0.119 0.000 0.809 577 Q CB 2.019 30.724 28.738 -0.056 0.000 1.362 577 Q HN 0.561 nan 8.270 nan 0.000 0.431 578 I N -2.414 118.213 120.570 0.096 0.000 2.567 578 I HA -0.077 4.093 4.170 -0.000 0.000 0.257 578 I C 0.275 176.538 176.117 0.245 0.000 1.184 578 I CA 1.379 62.770 61.300 0.152 0.000 1.451 578 I CB 0.170 38.010 38.000 -0.267 0.000 1.089 578 I HN 0.551 nan 8.210 nan 0.000 0.441 579 E N 1.880 122.150 120.200 0.116 0.000 2.869 579 E HA 0.169 4.519 4.350 -0.000 0.000 0.207 579 E C 0.287 176.935 176.600 0.079 0.000 0.986 579 E CA -0.231 56.233 56.400 0.106 0.000 1.131 579 E CB 0.495 30.235 29.700 0.067 0.000 1.098 579 E HN 0.590 nan 8.360 nan 0.000 0.459 580 S N -0.106 115.642 115.700 0.080 0.000 2.580 580 S HA -0.007 4.463 4.470 -0.000 0.000 0.266 580 S C 1.247 175.896 174.600 0.082 0.000 1.354 580 S CA -0.351 57.882 58.200 0.054 0.000 1.008 580 S CB 1.703 64.915 63.200 0.020 0.000 0.898 580 S HN 0.352 nan 8.310 nan 0.000 0.555 581 E N 0.501 120.740 120.200 0.067 0.000 2.070 581 E HA -0.157 4.193 4.350 -0.000 0.000 0.197 581 E C 1.710 178.382 176.600 0.119 0.000 1.004 581 E CA 1.686 58.133 56.400 0.079 0.000 0.805 581 E CB -0.260 29.480 29.700 0.066 0.000 0.744 581 E HN 0.593 nan 8.360 nan 0.000 0.451 582 V N 0.886 120.881 119.914 0.135 0.000 2.358 582 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 582 V C 2.423 178.708 176.094 0.318 0.000 1.047 582 V CA 1.491 63.922 62.300 0.219 0.000 1.035 582 V CB -0.364 31.549 31.823 0.149 0.000 0.658 582 V HN 0.399 nan 8.190 nan 0.000 0.452 583 M N 0.142 119.900 119.600 0.264 0.000 2.117 583 M HA -0.113 4.367 4.480 -0.000 0.000 0.262 583 M C 2.011 178.431 176.300 0.200 0.000 1.065 583 M CA 1.512 57.007 55.300 0.326 0.000 1.114 583 M CB -1.638 31.216 32.600 0.424 0.000 1.361 583 M HN 0.372 nan 8.290 nan 0.000 0.408 584 N N 0.860 119.651 118.700 0.153 0.000 2.244 584 N HA -0.023 4.716 4.740 -0.000 0.000 0.183 584 N C 1.681 177.232 175.510 0.067 0.000 1.016 584 N CA 1.507 54.609 53.050 0.087 0.000 0.866 584 N CB -0.363 38.167 38.487 0.073 0.000 0.980 584 N HN 0.365 nan 8.380 nan 0.000 0.430 585 A N -0.073 122.813 122.820 0.109 0.000 2.067 585 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 585 A C 0.742 178.289 177.584 -0.061 0.000 1.158 585 A CA 1.183 53.258 52.037 0.062 0.000 0.661 585 A CB -0.501 18.570 19.000 0.118 0.000 0.801 585 A HN 0.354 nan 8.150 nan 0.000 0.452 586 H N -1.684 117.332 119.070 -0.091 0.000 2.503 586 H HA 0.412 4.968 4.556 -0.000 0.000 0.296 586 H C -0.238 174.888 175.328 -0.336 0.000 1.097 586 H CA 0.141 55.958 56.048 -0.386 0.000 1.055 586 H CB 0.237 29.454 29.762 -0.907 0.000 1.580 586 H HN 0.475 nan 8.280 nan 0.000 0.546 587 Q N 0.817 120.561 119.800 -0.093 0.000 2.304 587 Q HA 0.311 4.651 4.340 -0.000 0.000 0.270 587 Q C -0.379 175.608 176.000 -0.022 0.000 1.035 587 Q CA -0.669 55.062 55.803 -0.121 0.000 0.781 587 Q CB 1.091 29.759 28.738 -0.117 0.000 1.261 587 Q HN -0.084 nan 8.270 nan 0.000 0.444 588 K N 1.667 122.075 120.400 0.014 0.000 2.438 588 K HA 0.223 4.543 4.320 -0.000 0.000 0.206 588 K C 0.021 176.686 176.600 0.109 0.000 1.081 588 K CA -0.076 56.262 56.287 0.085 0.000 1.053 588 K CB 1.153 33.775 32.500 0.204 0.000 0.908 588 K HN 0.563 nan 8.250 nan 0.000 0.556 589 S N 1.146 116.909 115.700 0.106 0.000 2.603 589 S HA 0.063 4.533 4.470 -0.000 0.000 0.268 589 S C 1.458 176.180 174.600 0.203 0.000 1.317 589 S CA 0.085 58.443 58.200 0.264 0.000 1.012 589 S CB 0.999 64.384 63.200 0.307 0.000 0.926 589 S HN 0.348 nan 8.310 nan 0.000 0.539 590 S N 2.787 118.641 115.700 0.257 0.000 2.474 590 S HA 0.084 4.554 4.470 -0.000 0.000 0.235 590 S C 0.475 175.157 174.600 0.136 0.000 0.997 590 S CA 0.496 58.784 58.200 0.147 0.000 0.949 590 S CB -0.707 62.548 63.200 0.091 0.000 0.766 590 S HN 0.620 nan 8.310 nan 0.000 0.517 591 I N 0.856 121.538 120.570 0.187 0.000 2.498 591 I HA 0.658 4.828 4.170 -0.000 0.000 0.290 591 I C 0.757 176.911 176.117 0.061 0.000 1.032 591 I CA -0.970 60.341 61.300 0.018 0.000 1.073 591 I CB 1.996 39.865 38.000 -0.218 0.000 1.251 591 I HN 0.162 nan 8.210 nan 0.000 0.426 592 G N 2.847 111.658 108.800 0.018 0.000 2.940 592 G HA2 0.176 4.136 3.960 -0.000 0.000 0.164 592 G HA3 0.176 4.136 3.960 -0.000 0.000 0.164 592 G C 0.495 175.447 174.900 0.086 0.000 1.326 592 G CA -0.276 44.861 45.100 0.062 0.000 1.020 592 G HN 0.551 nan 8.290 nan 0.000 0.586 593 N N 0.621 119.378 118.700 0.095 0.000 2.223 593 N HA -0.148 4.592 4.740 -0.000 0.000 0.185 593 N C 2.502 178.153 175.510 0.235 0.000 1.016 593 N CA 1.621 54.791 53.050 0.201 0.000 0.863 593 N CB -0.303 38.357 38.487 0.288 0.000 0.983 593 N HN 0.433 nan 8.380 nan 0.000 0.429 594 S N 0.489 116.270 115.700 0.134 0.000 2.447 594 S HA -0.055 4.415 4.470 -0.000 0.000 0.233 594 S C 1.903 176.575 174.600 0.121 0.000 1.006 594 S CA 0.335 58.604 58.200 0.115 0.000 0.957 594 S CB -0.424 62.813 63.200 0.060 0.000 0.773 594 S HN 0.188 nan 8.310 nan 0.000 0.507 595 L N 1.608 122.859 121.223 0.046 0.000 2.131 595 L HA 0.155 4.495 4.340 -0.000 0.000 0.210 595 L C 2.094 179.099 176.870 0.224 0.000 1.092 595 L CA 1.301 56.136 54.840 -0.008 0.000 0.759 595 L CB -0.651 41.143 42.059 -0.442 0.000 0.903 595 L HN 0.349 nan 8.230 nan 0.000 0.435 596 I N -0.726 120.020 120.570 0.294 0.000 2.163 596 I HA -0.348 3.822 4.170 -0.000 0.000 0.243 596 I C 2.724 179.117 176.117 0.461 0.000 1.085 596 I CA 1.575 63.143 61.300 0.447 0.000 1.347 596 I CB -0.406 37.869 38.000 0.457 0.000 1.044 596 I HN 0.292 nan 8.210 nan 0.000 0.408 597 R N 0.463 121.249 120.500 0.478 0.000 2.091 597 R HA -0.183 4.157 4.340 -0.000 0.000 0.238 597 R C 2.298 178.765 176.300 0.277 0.000 1.136 597 R CA 2.198 58.558 56.100 0.433 0.000 0.959 597 R CB -0.323 30.177 30.300 0.333 0.000 0.856 597 R HN 0.290 nan 8.270 nan 0.000 0.437 598 T N -0.059 114.632 114.554 0.229 0.000 2.684 598 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 598 T C 1.425 176.202 174.700 0.127 0.000 1.036 598 T CA 1.688 63.868 62.100 0.133 0.000 1.148 598 T CB -0.413 68.499 68.868 0.074 0.000 0.863 598 T HN 0.316 nan 8.240 nan 0.000 0.436 599 Y N 0.666 121.042 120.300 0.127 0.000 2.224 599 Y HA -0.015 4.535 4.550 -0.000 0.000 0.289 599 Y C 2.552 178.524 175.900 0.119 0.000 1.146 599 Y CA 1.104 59.269 58.100 0.108 0.000 1.182 599 Y CB -0.390 38.208 38.460 0.230 0.000 0.983 599 Y HN 0.139 nan 8.280 nan 0.000 0.524 600 M N -0.102 119.684 119.600 0.311 0.000 2.108 600 M HA -0.251 4.229 4.480 -0.000 0.000 0.261 600 M C 2.299 178.709 176.300 0.183 0.000 1.066 600 M CA 1.851 57.276 55.300 0.208 0.000 1.107 600 M CB -0.185 32.451 32.600 0.060 0.000 1.356 600 M HN 0.194 nan 8.290 nan 0.000 0.406 601 E N 0.631 120.908 120.200 0.129 0.000 2.209 601 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 601 E C 1.759 178.368 176.600 0.014 0.000 0.993 601 E CA 1.249 57.688 56.400 0.066 0.000 0.819 601 E CB -0.086 29.644 29.700 0.049 0.000 0.745 601 E HN 0.601 nan 8.360 nan 0.000 0.477 602 R N -0.041 120.463 120.500 0.007 0.000 2.148 602 R HA -0.060 4.280 4.340 -0.000 0.000 0.227 602 R C 1.257 177.507 176.300 -0.083 0.000 1.103 602 R CA 1.347 57.418 56.100 -0.049 0.000 0.983 602 R CB 0.131 30.382 30.300 -0.081 0.000 0.874 602 R HN 0.130 nan 8.270 nan 0.000 0.451 603 D N -2.257 118.090 120.400 -0.088 0.000 2.480 603 D HA 0.108 4.748 4.640 -0.000 0.000 0.243 603 D C -0.568 175.331 176.300 -0.669 0.000 1.120 603 D CA 0.397 54.192 54.000 -0.342 0.000 0.835 603 D CB 0.845 41.436 40.800 -0.349 0.000 1.204 603 D HN -0.001 nan 8.370 nan 0.000 0.513 604 Y N 0.125 120.364 120.300 -0.101 0.000 2.581 604 Y HA 0.436 4.986 4.550 -0.000 0.000 0.345 604 Y C 0.102 175.930 175.900 -0.121 0.000 1.036 604 Y CA -0.956 57.068 58.100 -0.126 0.000 1.042 604 Y CB 1.693 40.067 38.460 -0.144 0.000 1.289 604 Y HN -0.330 nan 8.280 nan 0.000 0.471 605 I N 3.465 124.031 120.570 -0.006 0.000 2.471 605 I HA 0.118 4.288 4.170 -0.000 0.000 0.286 605 I C -0.263 175.887 176.117 0.056 0.000 1.079 605 I CA 0.093 61.353 61.300 -0.068 0.000 1.398 605 I CB 0.317 38.117 38.000 -0.334 0.000 1.403 605 I HN 0.357 nan 8.210 nan 0.000 0.530 606 I N 8.881 129.495 120.570 0.073 0.000 2.517 606 I HA 0.102 4.272 4.170 -0.000 0.000 0.285 606 I C -1.926 174.278 176.117 0.145 0.000 1.106 606 I CA -1.399 59.976 61.300 0.125 0.000 1.402 606 I CB -0.111 37.987 38.000 0.163 0.000 1.399 606 I HN 0.315 nan 8.210 nan 0.000 0.535 607 P HA 0.093 nan 4.420 nan 0.000 0.274 607 P C 0.374 177.764 177.300 0.151 0.000 1.237 607 P CA -0.356 62.837 63.100 0.155 0.000 0.793 607 P CB 0.749 32.525 31.700 0.127 0.000 0.977 608 E N -0.034 120.238 120.200 0.120 0.000 2.072 608 E HA -0.049 4.301 4.350 -0.000 0.000 0.190 608 E C 0.740 177.396 176.600 0.093 0.000 0.982 608 E CA 1.059 57.516 56.400 0.096 0.000 0.803 608 E CB -0.590 29.160 29.700 0.083 0.000 0.755 608 E HN 0.563 nan 8.360 nan 0.000 0.453 609 S N -0.124 115.636 115.700 0.101 0.000 2.584 609 S HA 0.147 4.617 4.470 -0.000 0.000 0.273 609 S C 0.900 175.586 174.600 0.144 0.000 1.311 609 S CA -0.752 57.519 58.200 0.119 0.000 1.034 609 S CB 1.000 64.261 63.200 0.102 0.000 0.939 609 S HN 0.096 nan 8.310 nan 0.000 0.513 610 F N 2.316 122.264 119.950 -0.004 0.000 2.095 610 F HA -0.088 4.439 4.527 -0.000 0.000 0.298 610 F C 2.071 177.845 175.800 -0.044 0.000 1.104 610 F CA 2.226 60.183 58.000 -0.073 0.000 1.232 610 F CB -0.574 38.368 39.000 -0.097 0.000 0.987 610 F HN 0.745 nan 8.300 nan 0.000 0.475 611 E N 0.342 120.600 120.200 0.096 0.000 2.070 611 E HA -0.236 4.114 4.350 -0.000 0.000 0.197 611 E C 1.869 178.465 176.600 -0.007 0.000 1.004 611 E CA 1.814 58.214 56.400 0.000 0.000 0.805 611 E CB -0.487 29.256 29.700 0.072 0.000 0.744 611 E HN 0.425 nan 8.360 nan 0.000 0.451 612 D N -0.582 119.845 120.400 0.045 0.000 2.183 612 D HA -0.110 4.530 4.640 -0.000 0.000 0.203 612 D C 1.604 177.914 176.300 0.018 0.000 0.969 612 D CA 0.488 54.543 54.000 0.092 0.000 0.842 612 D CB -0.297 40.558 40.800 0.092 0.000 0.957 612 D HN 0.127 nan 8.370 nan 0.000 0.484 613 F N 1.216 121.047 119.950 -0.199 0.000 2.134 613 F HA -0.223 4.304 4.527 -0.000 0.000 0.299 613 F C 2.140 177.692 175.800 -0.413 0.000 1.097 613 F CA 1.084 58.900 58.000 -0.306 0.000 1.264 613 F CB -0.108 38.666 39.000 -0.376 0.000 1.001 613 F HN -0.214 nan 8.300 nan 0.000 0.479 614 V N -0.140 119.577 119.914 -0.329 0.000 2.358 614 V HA -0.306 3.814 4.120 -0.000 0.000 0.246 614 V C 2.058 178.005 176.094 -0.246 0.000 1.047 614 V CA 2.099 64.175 62.300 -0.373 0.000 1.035 614 V CB -1.131 30.430 31.823 -0.436 0.000 0.658 614 V HN 0.602 nan 8.190 nan 0.000 0.452 615 Y N 1.109 121.274 120.300 -0.225 0.000 2.114 615 Y HA -0.215 4.335 4.550 -0.000 0.000 0.284 615 Y C 2.318 178.055 175.900 -0.272 0.000 1.143 615 Y CA 1.947 59.953 58.100 -0.158 0.000 1.135 615 Y CB -0.801 37.653 38.460 -0.010 0.000 0.980 615 Y HN 0.051 nan 8.280 nan 0.000 0.499 616 V N 0.848 120.256 119.914 -0.844 0.000 2.490 616 V HA -0.241 3.879 4.120 -0.000 0.000 0.250 616 V C 2.671 178.230 176.094 -0.891 0.000 1.061 616 V CA 1.842 63.523 62.300 -1.033 0.000 1.064 616 V CB -1.641 29.713 31.823 -0.781 0.000 0.670 616 V HN 0.662 nan 8.190 nan 0.000 0.461 617 G N -0.270 108.073 108.800 -0.762 0.000 2.422 617 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.218 617 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.218 617 G C 1.586 176.229 174.900 -0.429 0.000 1.146 617 G CA 0.835 45.596 45.100 -0.566 0.000 0.769 617 G HN 0.473 nan 8.290 nan 0.000 0.547 618 L N 0.076 121.016 121.223 -0.472 0.000 2.056 618 L HA -0.048 4.292 4.340 -0.000 0.000 0.207 618 L C 3.000 179.485 176.870 -0.641 0.000 1.078 618 L CA 0.365 54.885 54.840 -0.532 0.000 0.749 618 L CB -0.441 41.263 42.059 -0.591 0.000 0.901 618 L HN 0.076 nan 8.230 nan 0.000 0.433 619 V N 0.106 119.631 119.914 -0.650 0.000 2.332 619 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 619 V C 2.417 178.202 176.094 -0.515 0.000 1.055 619 V CA 1.881 63.837 62.300 -0.573 0.000 1.038 619 V CB -0.470 30.968 31.823 -0.642 0.000 0.651 619 V HN 0.352 nan 8.190 nan 0.000 0.450 620 L N 0.090 120.957 121.223 -0.593 0.000 1.989 620 L HA -0.243 4.097 4.340 -0.000 0.000 0.211 620 L C 2.528 179.167 176.870 -0.386 0.000 1.071 620 L CA 2.489 57.085 54.840 -0.407 0.000 0.749 620 L CB -0.872 40.984 42.059 -0.339 0.000 0.890 620 L HN 0.412 nan 8.230 nan 0.000 0.431 621 Q N -0.763 118.867 119.800 -0.283 0.000 2.084 621 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 621 Q C 2.044 177.807 176.000 -0.395 0.000 0.978 621 Q CA 1.818 57.507 55.803 -0.190 0.000 0.844 621 Q CB -0.520 28.178 28.738 -0.066 0.000 0.898 621 Q HN 0.672 nan 8.270 nan 0.000 0.426 622 G N 0.545 109.086 108.800 -0.432 0.000 2.446 622 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.217 622 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.217 622 G C 1.394 176.049 174.900 -0.409 0.000 1.168 622 G CA 0.645 45.487 45.100 -0.430 0.000 0.771 622 G HN 0.311 nan 8.290 nan 0.000 0.551 623 Q N 0.334 119.895 119.800 -0.398 0.000 2.083 623 Q HA -0.030 4.310 4.340 -0.000 0.000 0.198 623 Q C 2.858 178.545 176.000 -0.522 0.000 0.969 623 Q CA 1.367 56.960 55.803 -0.350 0.000 0.838 623 Q CB -0.770 27.830 28.738 -0.230 0.000 0.900 623 Q HN 0.445 nan 8.270 nan 0.000 0.436 624 G N 0.734 108.956 108.800 -0.963 0.000 2.421 624 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 624 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 624 G C 1.454 175.769 174.900 -0.974 0.000 1.171 624 G CA 0.623 44.529 45.100 -1.990 0.000 0.775 624 G HN 0.156 nan 8.290 nan 0.000 0.543 625 M N 1.074 120.284 119.600 -0.652 0.000 2.200 625 M HA 0.004 4.484 4.480 -0.000 0.000 0.265 625 M C 2.631 178.803 176.300 -0.213 0.000 1.066 625 M CA 1.397 56.516 55.300 -0.302 0.000 1.127 625 M CB -0.773 31.561 32.600 -0.444 0.000 1.379 625 M HN 0.418 nan 8.290 nan 0.000 0.420 626 R N -1.057 119.262 120.500 -0.301 0.000 2.120 626 R HA -0.163 4.176 4.340 -0.000 0.000 0.234 626 R C 1.955 178.158 176.300 -0.162 0.000 1.123 626 R CA 1.872 57.825 56.100 -0.246 0.000 0.975 626 R CB -1.400 28.751 30.300 -0.248 0.000 0.866 626 R HN 0.339 nan 8.270 nan 0.000 0.446 627 H N 0.089 119.025 119.070 -0.224 0.000 2.352 627 H HA 0.010 4.566 4.556 -0.000 0.000 0.299 627 H C 2.025 177.249 175.328 -0.175 0.000 1.097 627 H CA 2.280 58.230 56.048 -0.164 0.000 1.311 627 H CB -0.502 29.173 29.762 -0.144 0.000 1.377 627 H HN 0.414 nan 8.280 nan 0.000 0.504 628 G N -0.017 108.728 108.800 -0.093 0.000 2.394 628 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.214 628 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.214 628 G C 1.721 176.173 174.900 -0.746 0.000 1.176 628 G CA 0.764 45.645 45.100 -0.365 0.000 0.786 628 G HN 0.393 nan 8.290 nan 0.000 0.533 629 L N 0.245 121.331 121.223 -0.228 0.000 2.042 629 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 629 L C 2.873 179.647 176.870 -0.160 0.000 1.076 629 L CA 1.442 56.229 54.840 -0.089 0.000 0.749 629 L CB -0.477 41.557 42.059 -0.041 0.000 0.893 629 L HN 0.291 nan 8.230 nan 0.000 0.432 630 E N 0.172 120.230 120.200 -0.238 0.000 2.077 630 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 630 E C 2.351 178.777 176.600 -0.291 0.000 0.989 630 E CA 1.103 57.362 56.400 -0.234 0.000 0.800 630 E CB -0.204 29.350 29.700 -0.244 0.000 0.746 630 E HN 0.505 nan 8.360 nan 0.000 0.452 631 A N 1.059 123.632 122.820 -0.410 0.000 1.908 631 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 631 A C 1.701 179.193 177.584 -0.153 0.000 1.181 631 A CA 1.763 53.596 52.037 -0.340 0.000 0.627 631 A CB -0.901 17.878 19.000 -0.369 0.000 0.818 631 A HN 0.343 nan 8.150 nan 0.000 0.445 632 H N -0.985 118.029 119.070 -0.093 0.000 2.299 632 H HA -0.042 4.514 4.556 -0.000 0.000 0.302 632 H C 2.474 177.869 175.328 0.110 0.000 1.078 632 H CA 1.221 57.300 56.048 0.051 0.000 1.323 632 H CB -0.069 29.743 29.762 0.084 0.000 1.381 632 H HN 0.383 nan 8.280 nan 0.000 0.498 633 R N 0.675 121.163 120.500 -0.020 0.000 2.081 633 R HA -0.114 4.226 4.340 -0.000 0.000 0.235 633 R C 2.441 178.566 176.300 -0.292 0.000 1.131 633 R CA 1.059 56.854 56.100 -0.509 0.000 0.960 633 R CB -0.212 29.824 30.300 -0.440 0.000 0.856 633 R HN 0.286 nan 8.270 nan 0.000 0.436 634 R N 0.894 121.264 120.500 -0.216 0.000 2.120 634 R HA -0.058 4.281 4.340 -0.000 0.000 0.234 634 R C 0.936 177.122 176.300 -0.189 0.000 1.123 634 R CA 1.219 57.153 56.100 -0.276 0.000 0.975 634 R CB 0.017 30.042 30.300 -0.458 0.000 0.866 634 R HN 0.199 nan 8.270 nan 0.000 0.446 635 N N 1.067 119.728 118.700 -0.065 0.000 2.322 635 N HA -0.042 4.698 4.740 -0.000 0.000 0.216 635 N C -0.358 175.258 175.510 0.176 0.000 1.144 635 N CA -0.043 53.035 53.050 0.046 0.000 0.830 635 N CB 0.285 38.814 38.487 0.071 0.000 1.034 635 N HN 0.203 nan 8.380 nan 0.000 0.484 636 R N 2.342 122.929 120.500 0.144 0.000 2.543 636 R HA 0.087 4.427 4.340 -0.000 0.000 0.277 636 R C -1.548 174.845 176.300 0.154 0.000 1.074 636 R CA -0.791 55.432 56.100 0.205 0.000 1.076 636 R CB 0.750 31.132 30.300 0.136 0.000 0.993 636 R HN -0.008 nan 8.270 nan 0.000 0.459 637 P HA -0.051 nan 4.420 nan 0.000 0.255 637 P C 0.543 177.945 177.300 0.169 0.000 1.248 637 P CA 0.307 63.492 63.100 0.142 0.000 0.807 637 P CB -0.026 31.707 31.700 0.055 0.000 1.150 638 Y N 0.977 121.340 120.300 0.105 0.000 2.128 638 Y HA -0.153 4.397 4.550 -0.000 0.000 0.284 638 Y C 1.215 177.196 175.900 0.135 0.000 1.154 638 Y CA 1.228 59.396 58.100 0.113 0.000 1.149 638 Y CB -0.560 37.962 38.460 0.103 0.000 0.976 638 Y HN 0.029 nan 8.280 nan 0.000 0.505 639 C N 2.084 121.579 119.300 0.325 0.000 2.341 639 C HA 0.399 4.859 4.460 -0.000 0.000 0.338 639 C C 0.606 175.738 174.990 0.236 0.000 1.257 639 C CA -0.768 58.383 59.018 0.222 0.000 1.883 639 C CB 0.031 27.941 27.740 0.283 0.000 2.334 639 C HN 0.596 nan 8.230 nan 0.000 0.524 640 M N 4.657 124.261 119.600 0.007 0.000 2.416 640 M HA 0.323 4.803 4.480 -0.000 0.000 0.337 640 M C 0.447 176.200 176.300 -0.912 0.000 1.074 640 M CA 0.173 55.376 55.300 -0.161 0.000 0.968 640 M CB 0.013 32.710 32.600 0.162 0.000 1.472 640 M HN 0.993 nan 8.290 nan 0.000 0.539 641 G N -0.378 107.565 108.800 -1.428 0.000 2.387 641 G HA2 0.390 4.350 3.960 -0.000 0.000 0.294 641 G HA3 0.390 4.350 3.960 -0.000 0.000 0.294 641 G C -1.672 172.426 174.900 -1.336 0.000 1.509 641 G CA -0.370 43.601 45.100 -1.882 0.000 0.806 641 G HN -0.093 nan 8.290 nan 0.000 0.546 642 T N 0.283 114.371 114.554 -0.777 0.000 3.109 642 T HA 0.586 4.936 4.350 -0.000 0.000 0.311 642 T C -1.200 173.484 174.700 -0.026 0.000 1.011 642 T CA -0.454 61.505 62.100 -0.235 0.000 1.026 642 T CB 0.633 69.685 68.868 0.306 0.000 1.047 642 T HN 0.555 nan 8.240 nan 0.000 0.448 643 L N 6.710 127.944 121.223 0.018 0.000 2.345 643 L HA 0.507 4.847 4.340 -0.000 0.000 0.274 643 L C -0.252 176.654 176.870 0.059 0.000 0.999 643 L CA -1.290 53.547 54.840 -0.006 0.000 0.849 643 L CB 0.857 42.873 42.059 -0.072 0.000 1.220 643 L HN 0.732 nan 8.230 nan 0.000 0.422 644 Y N 0.580 120.909 120.300 0.049 0.000 2.314 644 Y HA 0.262 4.812 4.550 -0.000 0.000 0.334 644 Y C -0.310 175.450 175.900 -0.233 0.000 1.266 644 Y CA -0.842 57.136 58.100 -0.203 0.000 1.391 644 Y CB 0.771 38.960 38.460 -0.452 0.000 1.306 644 Y HN 0.549 nan 8.280 nan 0.000 0.558 645 W N 6.333 127.491 121.300 -0.236 0.000 2.291 645 W HA 0.375 5.035 4.660 -0.000 0.000 0.312 645 W C -1.525 174.947 176.519 -0.077 0.000 1.061 645 W CA -0.674 56.531 57.345 -0.235 0.000 1.296 645 W CB 1.323 30.690 29.460 -0.154 0.000 1.223 645 W HN 0.923 nan 8.180 nan 0.000 0.421 646 Q N 4.039 123.511 119.800 -0.547 0.000 2.501 646 Q HA 0.260 4.600 4.340 -0.000 0.000 0.288 646 Q C -0.421 175.224 176.000 -0.592 0.000 1.051 646 Q CA -0.852 54.288 55.803 -1.104 0.000 0.788 646 Q CB 1.974 29.556 28.738 -1.926 0.000 1.469 646 Q HN 0.424 nan 8.270 nan 0.000 0.416 647 L N 1.207 122.021 121.223 -0.682 0.000 2.027 647 L HA 0.033 4.373 4.340 -0.000 0.000 0.206 647 L C 0.066 176.699 176.870 -0.394 0.000 1.074 647 L CA 2.014 56.597 54.840 -0.428 0.000 0.745 647 L CB -0.226 41.584 42.059 -0.414 0.000 0.898 647 L HN 0.901 nan 8.230 nan 0.000 0.433 648 N N -2.190 116.186 118.700 -0.539 0.000 2.774 648 N HA 0.287 5.027 4.740 -0.000 0.000 0.264 648 N C -1.633 173.555 175.510 -0.535 0.000 1.415 648 N CA -0.669 52.098 53.050 -0.472 0.000 0.815 648 N CB 1.221 39.449 38.487 -0.433 0.000 1.514 648 N HN -0.127 nan 8.380 nan 0.000 0.523 649 D N -0.988 119.187 120.400 -0.375 0.000 2.527 649 D HA 0.327 4.967 4.640 -0.000 0.000 0.233 649 D C 0.309 176.535 176.300 -0.124 0.000 1.063 649 D CA -0.376 53.452 54.000 -0.286 0.000 0.880 649 D CB 2.154 42.846 40.800 -0.179 0.000 1.457 649 D HN 0.598 nan 8.370 nan 0.000 0.475 650 S N 0.002 115.683 115.700 -0.031 0.000 2.517 650 S HA 0.170 4.640 4.470 -0.000 0.000 0.214 650 S C 0.363 174.895 174.600 -0.114 0.000 0.991 650 S CA -0.271 57.982 58.200 0.089 0.000 0.906 650 S CB 0.331 63.680 63.200 0.247 0.000 0.789 650 S HN 0.602 nan 8.310 nan 0.000 0.513 651 W N -0.530 120.302 121.300 -0.780 0.000 2.926 651 W HA 0.529 5.189 4.660 -0.000 0.000 0.361 651 W C -3.893 172.048 176.519 -0.964 0.000 1.195 651 W CA -2.448 53.888 57.345 -1.682 0.000 1.177 651 W CB -0.255 28.147 29.460 -1.762 0.000 1.453 651 W HN -0.243 nan 8.180 nan 0.000 0.571 652 P HA 0.357 nan 4.420 nan 0.000 0.276 652 P C -0.512 175.999 177.300 -1.315 0.000 1.253 652 P CA 0.427 63.119 63.100 -0.680 0.000 0.766 652 P CB 1.372 32.997 31.700 -0.125 0.000 0.845 653 V N 4.197 123.519 119.914 -0.987 0.000 3.264 653 V HA 0.275 4.395 4.120 -0.000 0.000 0.294 653 V C -1.294 174.455 176.094 -0.576 0.000 1.429 653 V CA -0.914 60.759 62.300 -1.046 0.000 1.053 653 V CB 2.581 33.701 31.823 -1.171 0.000 1.128 653 V HN 0.032 nan 8.190 nan 0.000 0.452 654 V N 3.887 123.472 119.914 -0.548 0.000 2.408 654 V HA 0.743 4.863 4.120 -0.000 0.000 0.267 654 V C 0.326 176.075 176.094 -0.574 0.000 1.047 654 V CA 0.616 62.562 62.300 -0.589 0.000 0.937 654 V CB 0.704 32.034 31.823 -0.821 0.000 0.999 654 V HN 0.952 nan 8.190 nan 0.000 0.472 655 S N 3.483 118.842 115.700 -0.568 0.000 2.752 655 S HA 0.481 4.951 4.470 -0.000 0.000 0.284 655 S C -0.322 173.904 174.600 -0.624 0.000 1.189 655 S CA -0.633 57.210 58.200 -0.595 0.000 0.835 655 S CB 1.372 64.442 63.200 -0.218 0.000 1.192 655 S HN 0.683 nan 8.310 nan 0.000 0.506 656 W N 2.598 123.691 121.300 -0.346 0.000 3.292 656 W HA 0.151 4.811 4.660 -0.000 0.000 0.263 656 W C 1.134 177.441 176.519 -0.353 0.000 1.318 656 W CA 0.097 57.235 57.345 -0.345 0.000 1.663 656 W CB -0.929 28.466 29.460 -0.107 0.000 1.114 656 W HN 0.683 nan 8.180 nan 0.000 0.706 657 S N 0.597 116.183 115.700 -0.189 0.000 2.573 657 S HA 0.046 4.516 4.470 -0.000 0.000 0.277 657 S C 1.253 175.725 174.600 -0.214 0.000 1.346 657 S CA 0.283 58.331 58.200 -0.254 0.000 1.034 657 S CB 1.625 64.651 63.200 -0.291 0.000 0.879 657 S HN 0.126 nan 8.310 nan 0.000 0.528 658 S N 1.167 116.765 115.700 -0.169 0.000 2.503 658 S HA 0.336 4.806 4.470 -0.000 0.000 0.215 658 S C 0.280 174.742 174.600 -0.231 0.000 1.003 658 S CA -0.440 57.653 58.200 -0.178 0.000 0.910 658 S CB -0.551 62.606 63.200 -0.072 0.000 0.790 658 S HN 0.709 nan 8.310 nan 0.000 0.514 659 I N 3.234 123.643 120.570 -0.268 0.000 2.499 659 I HA 0.342 4.512 4.170 -0.000 0.000 0.288 659 I C -0.905 175.103 176.117 -0.182 0.000 1.048 659 I CA -0.983 60.156 61.300 -0.269 0.000 1.062 659 I CB 1.987 39.733 38.000 -0.422 0.000 1.238 659 I HN 0.155 nan 8.210 nan 0.000 0.426 660 D N 4.562 124.910 120.400 -0.086 0.000 2.414 660 D HA -0.091 4.549 4.640 -0.000 0.000 0.251 660 D C 0.905 177.167 176.300 -0.063 0.000 1.252 660 D CA -0.023 53.942 54.000 -0.058 0.000 0.999 660 D CB 0.555 41.373 40.800 0.030 0.000 1.093 660 D HN 0.544 nan 8.370 nan 0.000 0.515 661 Y N -0.387 119.769 120.300 -0.239 0.000 2.333 661 Y HA -0.145 4.405 4.550 -0.000 0.000 0.290 661 Y C 1.090 176.757 175.900 -0.390 0.000 1.144 661 Y CA 1.264 59.143 58.100 -0.369 0.000 1.228 661 Y CB -0.296 37.848 38.460 -0.527 0.000 0.985 661 Y HN 0.377 nan 8.280 nan 0.000 0.542 662 Y N 0.006 120.281 120.300 -0.041 0.000 2.529 662 Y HA 0.262 4.812 4.550 -0.000 0.000 0.290 662 Y C 1.974 177.844 175.900 -0.051 0.000 1.177 662 Y CA 0.309 58.363 58.100 -0.077 0.000 1.305 662 Y CB -0.167 38.332 38.460 0.064 0.000 1.047 662 Y HN 0.224 nan 8.280 nan 0.000 0.522 663 G N -0.134 108.679 108.800 0.022 0.000 2.157 663 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.248 663 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.248 663 G C -0.112 174.885 174.900 0.162 0.000 0.979 663 G CA -0.229 44.899 45.100 0.047 0.000 0.650 663 G HN 0.300 nan 8.290 nan 0.000 0.529 664 N N 0.420 119.236 118.700 0.195 0.000 2.475 664 N HA 0.238 4.978 4.740 -0.000 0.000 0.267 664 N C 0.040 175.733 175.510 0.303 0.000 1.169 664 N CA 0.039 53.254 53.050 0.275 0.000 0.947 664 N CB 0.395 39.047 38.487 0.275 0.000 1.061 664 N HN 0.234 nan 8.380 nan 0.000 0.466 665 W N 2.534 123.850 121.300 0.026 0.000 2.308 665 W HA 0.133 4.793 4.660 -0.000 0.000 0.324 665 W C 1.132 177.677 176.519 0.043 0.000 1.387 665 W CA -0.260 57.026 57.345 -0.099 0.000 1.250 665 W CB 0.016 29.276 29.460 -0.333 0.000 1.257 665 W HN 0.210 nan 8.180 nan 0.000 0.554 666 K N 2.222 122.661 120.400 0.065 0.000 2.118 666 K HA 0.361 4.681 4.320 -0.000 0.000 0.240 666 K C 1.274 177.738 176.600 -0.227 0.000 1.035 666 K CA -0.012 56.192 56.287 -0.139 0.000 0.899 666 K CB 0.536 32.878 32.500 -0.263 0.000 1.085 666 K HN 0.457 nan 8.250 nan 0.000 0.498 667 A N 1.178 123.421 122.820 -0.961 0.000 1.917 667 A HA -0.201 4.118 4.320 -0.000 0.000 0.219 667 A C 2.009 179.389 177.584 -0.340 0.000 1.182 667 A CA 1.682 53.147 52.037 -0.953 0.000 0.633 667 A CB -0.594 17.542 19.000 -1.441 0.000 0.819 667 A HN 0.652 nan 8.150 nan 0.000 0.448 668 L N -0.923 120.048 121.223 -0.420 0.000 2.081 668 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 668 L C 2.204 178.815 176.870 -0.431 0.000 1.080 668 L CA 2.837 57.415 54.840 -0.436 0.000 0.754 668 L CB -0.879 40.890 42.059 -0.483 0.000 0.893 668 L HN 0.599 nan 8.230 nan 0.000 0.433 669 H N -2.260 116.543 119.070 -0.445 0.000 2.395 669 H HA -0.115 4.441 4.556 -0.000 0.000 0.299 669 H C 1.853 176.875 175.328 -0.510 0.000 1.070 669 H CA 2.056 57.719 56.048 -0.642 0.000 1.356 669 H CB -0.120 29.014 29.762 -1.047 0.000 1.401 669 H HN 0.453 nan 8.280 nan 0.000 0.524 670 Y N 0.177 120.495 120.300 0.029 0.000 2.224 670 Y HA -0.211 4.338 4.550 -0.000 0.000 0.289 670 Y C 2.552 178.414 175.900 -0.063 0.000 1.146 670 Y CA 1.113 59.311 58.100 0.163 0.000 1.182 670 Y CB -0.146 38.480 38.460 0.276 0.000 0.983 670 Y HN 0.258 nan 8.280 nan 0.000 0.524 671 Q N -0.176 119.603 119.800 -0.035 0.000 2.119 671 Q HA -0.123 4.216 4.340 -0.000 0.000 0.201 671 Q C 2.594 178.380 176.000 -0.357 0.000 0.972 671 Q CA 1.296 56.991 55.803 -0.180 0.000 0.847 671 Q CB -0.652 27.934 28.738 -0.254 0.000 0.903 671 Q HN 0.537 nan 8.270 nan 0.000 0.433 672 A N 1.634 124.120 122.820 -0.556 0.000 1.902 672 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 672 A C 2.156 179.342 177.584 -0.663 0.000 1.181 672 A CA 1.788 53.315 52.037 -0.851 0.000 0.623 672 A CB -0.476 17.986 19.000 -0.896 0.000 0.818 672 A HN 0.322 nan 8.150 nan 0.000 0.443 673 K N -0.267 119.897 120.400 -0.393 0.000 2.044 673 K HA -0.220 4.100 4.320 -0.000 0.000 0.210 673 K C 2.235 178.815 176.600 -0.033 0.000 1.049 673 K CA 1.831 58.047 56.287 -0.118 0.000 0.927 673 K CB -0.211 32.305 32.500 0.027 0.000 0.713 673 K HN 0.456 nan 8.250 nan 0.000 0.443 674 R N -0.232 120.238 120.500 -0.049 0.000 2.075 674 R HA -0.045 4.295 4.340 -0.000 0.000 0.232 674 R C 2.372 178.644 176.300 -0.047 0.000 1.126 674 R CA 1.216 57.308 56.100 -0.013 0.000 0.963 674 R CB -0.304 29.995 30.300 -0.001 0.000 0.858 674 R HN 0.269 nan 8.270 nan 0.000 0.435 675 A N 0.226 122.945 122.820 -0.168 0.000 2.119 675 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 675 A C 1.136 178.752 177.584 0.052 0.000 1.153 675 A CA 0.881 52.827 52.037 -0.152 0.000 0.692 675 A CB -0.128 18.686 19.000 -0.311 0.000 0.799 675 A HN 0.176 nan 8.150 nan 0.000 0.458 676 F N -0.174 119.751 119.950 -0.042 0.000 2.727 676 F HA 0.453 4.980 4.527 -0.000 0.000 0.302 676 F C 1.418 177.208 175.800 -0.018 0.000 1.097 676 F CA -0.958 57.026 58.000 -0.027 0.000 1.330 676 F CB -0.976 38.008 39.000 -0.027 0.000 1.084 676 F HN 0.166 nan 8.300 nan 0.000 0.578 677 A N 1.433 124.351 122.820 0.164 0.000 2.540 677 A HA 0.135 4.455 4.320 -0.000 0.000 0.239 677 A C -1.146 176.491 177.584 0.089 0.000 1.061 677 A CA -0.742 51.359 52.037 0.107 0.000 0.758 677 A CB -0.216 18.826 19.000 0.070 0.000 0.991 677 A HN 0.093 nan 8.150 nan 0.000 0.502 678 P HA -0.123 nan 4.420 nan 0.000 0.217 678 P C 0.094 177.433 177.300 0.066 0.000 1.158 678 P CA 1.209 64.360 63.100 0.084 0.000 0.887 678 P CB 0.011 31.768 31.700 0.096 0.000 0.792 679 V N 0.131 120.079 119.914 0.056 0.000 2.417 679 V HA 0.387 4.507 4.120 -0.000 0.000 0.291 679 V C -0.287 175.825 176.094 0.030 0.000 1.024 679 V CA -0.670 61.653 62.300 0.040 0.000 0.861 679 V CB 1.600 33.445 31.823 0.037 0.000 0.985 679 V HN -0.151 nan 8.190 nan 0.000 0.436 680 L N 6.586 127.822 121.223 0.021 0.000 2.409 680 L HA 0.658 4.998 4.340 -0.000 0.000 0.272 680 L C -0.644 176.236 176.870 0.017 0.000 0.980 680 L CA -0.051 54.798 54.840 0.015 0.000 0.826 680 L CB 1.719 43.781 42.059 0.005 0.000 1.268 680 L HN 0.558 nan 8.230 nan 0.000 0.407 681 I N 4.770 125.350 120.570 0.015 0.000 2.352 681 I HA 0.281 4.451 4.170 -0.000 0.000 0.290 681 I C 0.136 176.270 176.117 0.028 0.000 1.036 681 I CA 0.037 61.350 61.300 0.022 0.000 1.336 681 I CB 0.669 38.674 38.000 0.008 0.000 1.407 681 I HN 0.647 nan 8.210 nan 0.000 0.497 682 N N 8.821 127.553 118.700 0.054 0.000 2.696 682 N HA 0.337 5.077 4.740 -0.000 0.000 0.246 682 N C -2.709 172.848 175.510 0.078 0.000 1.057 682 N CA -1.609 51.466 53.050 0.042 0.000 0.867 682 N CB 1.511 39.996 38.487 -0.003 0.000 1.141 682 N HN 0.227 nan 8.380 nan 0.000 0.517 683 P HA 0.178 nan 4.420 nan 0.000 0.276 683 P C -0.801 176.494 177.300 -0.007 0.000 1.235 683 P CA -0.336 62.746 63.100 -0.030 0.000 0.772 683 P CB 1.188 32.768 31.700 -0.200 0.000 0.871 684 I N 2.266 122.856 120.570 0.034 0.000 2.447 684 I HA 0.328 4.498 4.170 -0.000 0.000 0.287 684 I C -0.771 175.416 176.117 0.117 0.000 1.023 684 I CA -0.879 60.474 61.300 0.089 0.000 1.083 684 I CB 1.855 39.879 38.000 0.040 0.000 1.245 684 I HN 0.266 nan 8.210 nan 0.000 0.434 685 Q N 6.730 126.651 119.800 0.202 0.000 2.333 685 Q HA 0.600 4.940 4.340 -0.000 0.000 0.265 685 Q C -1.613 174.501 176.000 0.190 0.000 0.989 685 Q CA -0.540 55.395 55.803 0.220 0.000 0.842 685 Q CB 1.165 30.119 28.738 0.360 0.000 1.262 685 Q HN 0.719 nan 8.270 nan 0.000 0.451 686 Q N 2.656 122.547 119.800 0.151 0.000 2.379 686 Q HA 0.312 4.651 4.340 -0.000 0.000 0.278 686 Q C -0.960 175.100 176.000 0.101 0.000 1.068 686 Q CA -0.855 55.020 55.803 0.119 0.000 0.816 686 Q CB 1.822 30.623 28.738 0.106 0.000 1.387 686 Q HN 0.871 nan 8.270 nan 0.000 0.413 687 N N 1.316 120.065 118.700 0.082 0.000 2.727 687 N HA -0.235 4.505 4.740 -0.000 0.000 0.249 687 N C -1.215 174.337 175.510 0.071 0.000 1.048 687 N CA 0.750 53.840 53.050 0.066 0.000 0.714 687 N CB -0.878 37.643 38.487 0.058 0.000 0.959 687 N HN 0.888 nan 8.380 nan 0.000 0.544 688 D N -1.158 119.292 120.400 0.084 0.000 2.811 688 D HA -0.192 4.448 4.640 -0.000 0.000 0.231 688 D C -0.789 175.577 176.300 0.111 0.000 1.157 688 D CA 1.723 55.777 54.000 0.090 0.000 0.716 688 D CB -0.486 40.348 40.800 0.056 0.000 1.077 688 D HN 0.501 nan 8.370 nan 0.000 0.428 689 S N -0.628 115.150 115.700 0.130 0.000 2.541 689 S HA 0.695 5.164 4.470 -0.000 0.000 0.280 689 S C -1.414 173.291 174.600 0.175 0.000 1.112 689 S CA -0.985 57.301 58.200 0.143 0.000 0.925 689 S CB 1.415 64.672 63.200 0.095 0.000 1.067 689 S HN 0.247 nan 8.310 nan 0.000 0.479 690 L N 3.728 125.082 121.223 0.218 0.000 2.307 690 L HA 0.765 5.105 4.340 -0.000 0.000 0.284 690 L C -0.551 176.413 176.870 0.157 0.000 1.023 690 L CA 0.312 55.282 54.840 0.216 0.000 0.810 690 L CB 1.729 44.003 42.059 0.359 0.000 1.231 690 L HN 0.628 nan 8.230 nan 0.000 0.423 691 S N 3.133 118.918 115.700 0.141 0.000 2.536 691 S HA 0.787 5.257 4.470 -0.000 0.000 0.298 691 S C -1.097 173.605 174.600 0.170 0.000 1.083 691 S CA -0.590 57.689 58.200 0.131 0.000 0.995 691 S CB 2.025 65.338 63.200 0.187 0.000 1.058 691 S HN 0.410 nan 8.310 nan 0.000 0.488 692 V N 3.287 123.275 119.914 0.122 0.000 2.407 692 V HA 0.417 4.537 4.120 -0.000 0.000 0.291 692 V C -1.389 174.717 176.094 0.019 0.000 1.018 692 V CA -0.637 61.736 62.300 0.122 0.000 0.842 692 V CB 0.618 32.501 31.823 0.100 0.000 0.996 692 V HN 0.847 nan 8.190 nan 0.000 0.426 693 Y N 4.433 124.737 120.300 0.007 0.000 2.361 693 Y HA 0.623 5.173 4.550 -0.000 0.000 0.332 693 Y C 0.183 176.076 175.900 -0.011 0.000 1.101 693 Y CA -0.745 57.353 58.100 -0.003 0.000 1.137 693 Y CB 1.647 40.097 38.460 -0.017 0.000 1.207 693 Y HN 0.422 nan 8.280 nan 0.000 0.463 694 L N 5.262 126.551 121.223 0.110 0.000 2.296 694 L HA 0.537 4.877 4.340 -0.000 0.000 0.286 694 L C -0.816 176.099 176.870 0.075 0.000 1.023 694 L CA -0.465 54.414 54.840 0.067 0.000 0.812 694 L CB 1.119 43.193 42.059 0.025 0.000 1.223 694 L HN 0.531 nan 8.230 nan 0.000 0.421 695 I N 2.372 122.970 120.570 0.047 0.000 2.418 695 I HA 0.322 4.492 4.170 -0.000 0.000 0.287 695 I C -0.275 175.848 176.117 0.011 0.000 1.008 695 I CA -0.179 61.131 61.300 0.017 0.000 1.104 695 I CB 2.120 40.103 38.000 -0.029 0.000 1.264 695 I HN 0.486 nan 8.210 nan 0.000 0.438 696 S N 3.696 119.406 115.700 0.018 0.000 2.561 696 S HA 0.389 4.859 4.470 -0.000 0.000 0.303 696 S C -0.386 174.251 174.600 0.062 0.000 1.110 696 S CA -0.634 57.589 58.200 0.039 0.000 1.034 696 S CB 1.153 64.379 63.200 0.043 0.000 1.010 696 S HN 0.554 nan 8.310 nan 0.000 0.482 697 D N 2.949 123.410 120.400 0.101 0.000 2.388 697 D HA 0.196 4.836 4.640 -0.000 0.000 0.221 697 D C 0.407 176.888 176.300 0.303 0.000 1.133 697 D CA -0.028 54.102 54.000 0.217 0.000 0.831 697 D CB 0.278 41.200 40.800 0.204 0.000 0.962 697 D HN 0.446 nan 8.370 nan 0.000 0.502 698 R N 0.242 120.839 120.500 0.161 0.000 2.738 698 R HA 0.241 4.581 4.340 -0.000 0.000 0.268 698 R C 1.404 177.689 176.300 -0.025 0.000 1.062 698 R CA -0.207 55.950 56.100 0.096 0.000 1.158 698 R CB 1.166 31.497 30.300 0.052 0.000 1.046 698 R HN 0.028 nan 8.270 nan 0.000 0.493 699 L N 0.828 121.949 121.223 -0.170 0.000 2.418 699 L HA -0.008 4.332 4.340 -0.000 0.000 0.218 699 L C 0.617 177.392 176.870 -0.158 0.000 1.125 699 L CA 0.462 55.120 54.840 -0.304 0.000 0.835 699 L CB -0.319 41.458 42.059 -0.470 0.000 0.953 699 L HN 0.710 nan 8.230 nan 0.000 0.454 700 D N -0.914 119.435 120.400 -0.085 0.000 2.198 700 D HA 0.139 4.779 4.640 -0.000 0.000 0.247 700 D C -0.393 175.893 176.300 -0.024 0.000 1.010 700 D CA -0.374 53.596 54.000 -0.049 0.000 0.880 700 D CB 1.666 42.447 40.800 -0.032 0.000 1.209 700 D HN -0.269 nan 8.370 nan 0.000 0.451 701 T N 1.666 116.210 114.554 -0.017 0.000 2.897 701 T HA 0.270 4.619 4.350 -0.000 0.000 0.294 701 T C 0.416 175.119 174.700 0.004 0.000 1.004 701 T CA -0.302 61.796 62.100 -0.004 0.000 1.106 701 T CB 0.672 69.538 68.868 -0.004 0.000 0.949 701 T HN 0.276 nan 8.240 nan 0.000 0.520 702 M N 3.069 122.676 119.600 0.011 0.000 2.238 702 M HA 0.381 4.861 4.480 -0.000 0.000 0.350 702 M C 0.064 176.374 176.300 0.016 0.000 1.138 702 M CA -0.436 54.875 55.300 0.017 0.000 1.040 702 M CB 1.407 34.021 32.600 0.023 0.000 1.639 702 M HN 0.585 nan 8.290 nan 0.000 0.451 703 E N 1.386 121.596 120.200 0.017 0.000 2.299 703 E HA 0.336 4.685 4.350 -0.000 0.000 0.265 703 E C -0.742 175.871 176.600 0.022 0.000 0.911 703 E CA -0.930 55.480 56.400 0.016 0.000 0.789 703 E CB 1.248 30.955 29.700 0.013 0.000 1.246 703 E HN 0.414 nan 8.360 nan 0.000 0.427 704 Q N 0.759 120.573 119.800 0.024 0.000 2.451 704 Q HA -0.183 4.157 4.340 -0.000 0.000 0.305 704 Q C -0.718 175.307 176.000 0.042 0.000 1.345 704 Q CA 0.981 56.803 55.803 0.033 0.000 0.854 704 Q CB -1.117 27.638 28.738 0.029 0.000 1.162 704 Q HN 0.530 nan 8.270 nan 0.000 0.440 705 M N -0.459 119.161 119.600 0.033 0.000 2.444 705 M HA 0.465 4.945 4.480 -0.000 0.000 0.319 705 M C 0.600 176.910 176.300 0.016 0.000 1.183 705 M CA -0.160 55.155 55.300 0.025 0.000 1.032 705 M CB 1.338 33.944 32.600 0.011 0.000 1.569 705 M HN -0.053 nan 8.290 nan 0.000 0.468 706 T N 2.366 116.913 114.554 -0.012 0.000 2.848 706 T HA 0.543 4.893 4.350 -0.000 0.000 0.285 706 T C -0.893 173.734 174.700 -0.123 0.000 0.995 706 T CA -0.573 61.469 62.100 -0.096 0.000 0.970 706 T CB 1.707 70.513 68.868 -0.102 0.000 0.976 706 T HN 0.491 nan 8.240 nan 0.000 0.441 707 L N 3.400 124.524 121.223 -0.165 0.000 2.265 707 L HA 0.551 4.891 4.340 -0.000 0.000 0.288 707 L C 0.037 176.777 176.870 -0.217 0.000 1.058 707 L CA -0.077 54.666 54.840 -0.161 0.000 0.809 707 L CB 0.640 42.609 42.059 -0.151 0.000 1.179 707 L HN 0.667 nan 8.230 nan 0.000 0.429 708 E N 5.669 125.769 120.200 -0.167 0.000 2.199 708 E HA 0.557 4.907 4.350 -0.000 0.000 0.269 708 E C -1.493 175.031 176.600 -0.127 0.000 0.899 708 E CA -0.659 55.645 56.400 -0.160 0.000 0.772 708 E CB 1.330 30.963 29.700 -0.113 0.000 1.155 708 E HN 0.723 nan 8.360 nan 0.000 0.408 709 M N 3.604 123.121 119.600 -0.138 0.000 2.518 709 M HA 0.422 4.902 4.480 -0.000 0.000 0.300 709 M C -1.139 175.148 176.300 -0.022 0.000 1.175 709 M CA -0.773 54.479 55.300 -0.080 0.000 0.890 709 M CB 2.468 34.989 32.600 -0.132 0.000 1.710 709 M HN 0.386 nan 8.290 nan 0.000 0.453 710 K N 0.706 121.124 120.400 0.029 0.000 2.523 710 K HA 0.695 5.015 4.320 -0.000 0.000 0.257 710 K C -1.708 174.920 176.600 0.046 0.000 0.932 710 K CA -0.964 55.349 56.287 0.044 0.000 0.812 710 K CB 1.870 34.373 32.500 0.005 0.000 1.326 710 K HN 0.432 nan 8.250 nan 0.000 0.433 711 V N 2.529 122.486 119.914 0.072 0.000 2.488 711 V HA 0.277 4.397 4.120 -0.000 0.000 0.277 711 V C -0.473 175.512 176.094 -0.182 0.000 1.046 711 V CA -0.510 61.783 62.300 -0.012 0.000 0.986 711 V CB 1.168 33.008 31.823 0.027 0.000 0.989 711 V HN 0.561 nan 8.190 nan 0.000 0.475 712 V N 4.674 124.317 119.914 -0.451 0.000 2.577 712 V HA 0.367 4.487 4.120 -0.000 0.000 0.303 712 V C -0.314 175.419 176.094 -0.601 0.000 1.042 712 V CA -0.971 60.995 62.300 -0.557 0.000 0.872 712 V CB 2.018 33.396 31.823 -0.743 0.000 0.998 712 V HN 1.037 nan 8.190 nan 0.000 0.423 713 D N 3.090 123.322 120.400 -0.280 0.000 2.414 713 D HA 0.141 4.781 4.640 -0.000 0.000 0.251 713 D C 0.665 177.037 176.300 0.119 0.000 1.252 713 D CA -0.403 53.484 54.000 -0.187 0.000 0.999 713 D CB 0.492 41.197 40.800 -0.158 0.000 1.093 713 D HN 0.234 nan 8.370 nan 0.000 0.515 714 F N -0.725 119.286 119.950 0.101 0.000 2.699 714 F HA 0.046 4.572 4.527 -0.000 0.000 0.298 714 F C 1.394 177.267 175.800 0.122 0.000 1.154 714 F CA 0.171 58.288 58.000 0.194 0.000 1.457 714 F CB -0.546 38.562 39.000 0.180 0.000 1.106 714 F HN 0.296 nan 8.300 nan 0.000 0.585 715 D N -0.902 119.637 120.400 0.231 0.000 2.360 715 D HA 0.179 4.819 4.640 -0.000 0.000 0.210 715 D C 2.054 178.421 176.300 0.111 0.000 1.047 715 D CA 0.970 55.052 54.000 0.137 0.000 0.854 715 D CB 0.475 41.328 40.800 0.088 0.000 0.936 715 D HN 0.318 nan 8.370 nan 0.000 0.514 716 G N 1.794 110.666 108.800 0.121 0.000 2.144 716 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.218 716 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.218 716 G C 0.294 175.214 174.900 0.034 0.000 0.988 716 G CA -0.191 44.966 45.100 0.095 0.000 0.659 716 G HN 0.293 nan 8.290 nan 0.000 0.522 717 K N 1.419 121.822 120.400 0.005 0.000 2.227 717 K HA 0.503 4.823 4.320 -0.000 0.000 0.280 717 K C 0.258 176.826 176.600 -0.054 0.000 1.041 717 K CA -0.273 56.006 56.287 -0.014 0.000 0.905 717 K CB 0.424 32.919 32.500 -0.009 0.000 1.068 717 K HN 0.048 nan 8.250 nan 0.000 0.470 718 T N 5.036 119.565 114.554 -0.041 0.000 2.888 718 T HA 0.118 4.468 4.350 -0.000 0.000 0.301 718 T C 0.140 174.813 174.700 -0.045 0.000 1.001 718 T CA -0.074 61.995 62.100 -0.051 0.000 1.147 718 T CB 0.132 68.986 68.868 -0.023 0.000 0.931 718 T HN 0.405 nan 8.240 nan 0.000 0.541 719 L N 3.876 125.065 121.223 -0.057 0.000 2.265 719 L HA 0.569 4.909 4.340 -0.000 0.000 0.289 719 L C 1.211 178.086 176.870 0.008 0.000 1.033 719 L CA -0.479 54.336 54.840 -0.042 0.000 0.814 719 L CB 0.324 42.333 42.059 -0.084 0.000 1.203 719 L HN 1.000 nan 8.230 nan 0.000 0.423 720 G N 3.368 112.178 108.800 0.016 0.000 2.593 720 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.237 720 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.237 720 G C -0.555 174.368 174.900 0.038 0.000 1.312 720 G CA -0.721 44.406 45.100 0.045 0.000 0.896 720 G HN 0.462 nan 8.290 nan 0.000 0.574 721 K N 0.987 121.413 120.400 0.044 0.000 2.098 721 K HA 0.373 4.693 4.320 -0.000 0.000 0.261 721 K C 0.681 177.293 176.600 0.019 0.000 0.987 721 K CA -0.592 55.707 56.287 0.021 0.000 0.916 721 K CB 1.171 33.675 32.500 0.007 0.000 1.039 721 K HN 0.599 nan 8.250 nan 0.000 0.455 722 K N 1.847 122.249 120.400 0.003 0.000 2.355 722 K HA 0.183 4.503 4.320 -0.000 0.000 0.270 722 K C 0.240 176.812 176.600 -0.046 0.000 1.003 722 K CA 0.116 56.394 56.287 -0.015 0.000 0.957 722 K CB 0.249 32.739 32.500 -0.017 0.000 0.939 722 K HN 0.410 nan 8.250 nan 0.000 0.482 723 I N 2.301 122.816 120.570 -0.092 0.000 2.404 723 I HA 0.176 4.346 4.170 -0.000 0.000 0.293 723 I C -0.246 175.753 176.117 -0.197 0.000 0.992 723 I CA -0.613 60.591 61.300 -0.160 0.000 1.149 723 I CB 1.595 39.430 38.000 -0.275 0.000 1.315 723 I HN 0.393 nan 8.210 nan 0.000 0.446 724 Q N 4.941 124.633 119.800 -0.180 0.000 2.340 724 Q HA 0.626 4.966 4.340 -0.000 0.000 0.268 724 Q C -1.385 174.449 176.000 -0.277 0.000 1.031 724 Q CA -0.828 54.807 55.803 -0.278 0.000 0.804 724 Q CB 3.428 31.995 28.738 -0.285 0.000 1.286 724 Q HN 0.432 nan 8.270 nan 0.000 0.448 725 V N 3.235 122.947 119.914 -0.337 0.000 2.350 725 V HA 0.343 4.463 4.120 -0.000 0.000 0.285 725 V C -0.333 175.610 176.094 -0.252 0.000 1.014 725 V CA -0.790 61.392 62.300 -0.196 0.000 0.831 725 V CB 0.865 32.619 31.823 -0.115 0.000 1.000 725 V HN 0.740 nan 8.190 nan 0.000 0.433 726 H N 2.158 121.215 119.070 -0.022 0.000 2.570 726 H HA 0.460 5.016 4.556 -0.000 0.000 0.342 726 H C 0.762 176.083 175.328 -0.012 0.000 1.245 726 H CA 0.014 56.052 56.048 -0.017 0.000 1.318 726 H CB 1.852 31.605 29.762 -0.015 0.000 1.694 726 H HN 0.711 nan 8.280 nan 0.000 0.592 727 S N -0.000 115.783 115.700 0.139 0.000 3.635 727 S HA -0.159 4.311 4.470 -0.000 0.000 0.328 727 S C 0.165 174.789 174.600 0.039 0.000 1.135 727 S CA 0.067 58.309 58.200 0.070 0.000 0.942 727 S CB -1.757 61.478 63.200 0.057 0.000 0.930 727 S HN 0.358 nan 8.310 nan 0.000 0.512 728 L N 1.255 122.496 121.223 0.029 0.000 2.326 728 L HA 0.469 4.809 4.340 -0.000 0.000 0.278 728 L C 0.661 177.538 176.870 0.012 0.000 1.092 728 L CA -0.020 54.826 54.840 0.010 0.000 0.810 728 L CB 0.882 42.938 42.059 -0.006 0.000 1.153 728 L HN 0.293 nan 8.230 nan 0.000 0.439 729 E N 2.085 122.290 120.200 0.008 0.000 2.191 729 E HA 0.443 4.793 4.350 -0.000 0.000 0.274 729 E C -1.497 175.108 176.600 0.008 0.000 0.948 729 E CA -0.686 55.720 56.400 0.009 0.000 0.802 729 E CB 2.056 31.761 29.700 0.008 0.000 1.137 729 E HN 0.310 nan 8.360 nan 0.000 0.397 730 V N 6.022 125.943 119.914 0.011 0.000 2.276 730 V HA 0.275 4.395 4.120 -0.000 0.000 0.268 730 V C -2.363 173.741 176.094 0.016 0.000 1.032 730 V CA -1.773 60.536 62.300 0.015 0.000 0.810 730 V CB 0.700 32.533 31.823 0.017 0.000 1.060 730 V HN 0.663 nan 8.190 nan 0.000 0.446 731 P HA 0.154 nan 4.420 nan 0.000 0.269 731 P C 0.211 177.521 177.300 0.017 0.000 1.209 731 P CA 0.177 63.285 63.100 0.013 0.000 0.776 731 P CB 0.605 32.315 31.700 0.016 0.000 0.876 732 A N 3.421 126.245 122.820 0.005 0.000 2.584 732 A HA -0.021 4.299 4.320 -0.000 0.000 0.239 732 A C 0.784 178.384 177.584 0.027 0.000 1.043 732 A CA 0.265 52.303 52.037 0.001 0.000 0.756 732 A CB -1.001 17.975 19.000 -0.040 0.000 0.963 732 A HN 0.742 nan 8.150 nan 0.000 0.511 733 N N -0.191 118.546 118.700 0.061 0.000 2.738 733 N HA -0.151 4.589 4.740 -0.000 0.000 0.249 733 N C 0.031 175.587 175.510 0.076 0.000 1.047 733 N CA 1.644 54.756 53.050 0.104 0.000 0.707 733 N CB -1.498 37.069 38.487 0.132 0.000 0.937 733 N HN 1.286 nan 8.380 nan 0.000 0.545 734 T N -3.878 110.708 114.554 0.053 0.000 2.883 734 T HA 0.747 5.097 4.350 -0.000 0.000 0.296 734 T C -0.367 174.358 174.700 0.041 0.000 1.117 734 T CA -0.687 61.443 62.100 0.049 0.000 1.006 734 T CB 2.363 71.259 68.868 0.047 0.000 1.191 734 T HN -0.030 nan 8.240 nan 0.000 0.508 735 S N 1.129 116.866 115.700 0.062 0.000 2.605 735 S HA 0.631 5.101 4.470 -0.000 0.000 0.308 735 S C -0.916 173.794 174.600 0.183 0.000 1.113 735 S CA -1.006 57.256 58.200 0.104 0.000 1.049 735 S CB 0.969 64.203 63.200 0.055 0.000 1.001 735 S HN 0.698 nan 8.310 nan 0.000 0.480 736 K N 0.890 121.395 120.400 0.174 0.000 2.464 736 K HA 0.448 4.768 4.320 -0.000 0.000 0.253 736 K C -1.072 175.421 176.600 -0.179 0.000 0.933 736 K CA -0.661 55.663 56.287 0.062 0.000 0.801 736 K CB 2.085 34.590 32.500 0.009 0.000 1.271 736 K HN 0.646 nan 8.250 nan 0.000 0.430 737 C N 2.939 121.920 119.300 -0.532 0.000 2.576 737 C HA 0.263 4.723 4.460 -0.000 0.000 0.401 737 C C 1.524 176.304 174.990 -0.350 0.000 1.314 737 C CA -0.244 58.241 59.018 -0.888 0.000 1.855 737 C CB -0.821 26.335 27.740 -0.973 0.000 2.537 737 C HN 0.715 nan 8.230 nan 0.000 0.578 738 V N 3.396 123.172 119.914 -0.230 0.000 3.556 738 V HA 0.401 4.520 4.120 -0.000 0.000 0.287 738 V C -0.218 175.892 176.094 0.027 0.000 1.422 738 V CA 0.018 62.271 62.300 -0.079 0.000 1.038 738 V CB -0.846 30.951 31.823 -0.043 0.000 0.850 738 V HN 0.830 nan 8.190 nan 0.000 0.437 739 Y N 0.866 121.067 120.300 -0.164 0.000 2.480 739 Y HA 0.738 5.287 4.550 -0.000 0.000 0.329 739 Y C -0.802 175.033 175.900 -0.109 0.000 1.127 739 Y CA -1.149 56.876 58.100 -0.125 0.000 1.037 739 Y CB 1.696 40.090 38.460 -0.109 0.000 1.320 739 Y HN 0.285 nan 8.280 nan 0.000 0.446 740 R N 4.062 124.174 120.500 -0.646 0.000 2.584 740 R HA 0.939 5.279 4.340 -0.000 0.000 0.276 740 R C -2.181 173.753 176.300 -0.611 0.000 1.046 740 R CA -0.482 55.363 56.100 -0.424 0.000 0.906 740 R CB 1.832 32.002 30.300 -0.218 0.000 1.215 740 R HN 0.893 nan 8.270 nan 0.000 0.449 741 A N 4.054 126.695 122.820 -0.299 0.000 2.491 741 A HA 0.364 4.684 4.320 -0.000 0.000 0.293 741 A C -1.429 176.215 177.584 0.099 0.000 1.047 741 A CA -1.044 50.878 52.037 -0.192 0.000 0.735 741 A CB 1.099 19.895 19.000 -0.340 0.000 1.281 741 A HN 0.812 nan 8.150 nan 0.000 0.398 742 K N 2.419 122.872 120.400 0.088 0.000 2.295 742 K HA 0.504 4.824 4.320 -0.000 0.000 0.270 742 K C 0.023 176.789 176.600 0.277 0.000 1.011 742 K CA -0.632 55.745 56.287 0.150 0.000 0.953 742 K CB 0.729 33.275 32.500 0.078 0.000 0.956 742 K HN 0.535 nan 8.250 nan 0.000 0.477 743 L N 0.292 121.639 121.223 0.207 0.000 2.156 743 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 743 L C 0.672 177.585 176.870 0.072 0.000 1.095 743 L CA 0.658 55.566 54.840 0.114 0.000 0.770 743 L CB -0.419 41.616 42.059 -0.040 0.000 0.914 743 L HN 0.861 nan 8.230 nan 0.000 0.439 744 D N -0.036 120.404 120.400 0.066 0.000 2.417 744 D HA 0.286 4.926 4.640 -0.000 0.000 0.250 744 D C 1.083 177.427 176.300 0.073 0.000 1.166 744 D CA 1.155 55.179 54.000 0.040 0.000 0.881 744 D CB 0.853 41.669 40.800 0.028 0.000 1.164 744 D HN 0.305 nan 8.370 nan 0.000 0.467 745 G N 3.177 112.013 108.800 0.060 0.000 2.199 745 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.254 745 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.254 745 G C 0.585 175.582 174.900 0.161 0.000 0.982 745 G CA 0.512 45.660 45.100 0.079 0.000 0.632 745 G HN 0.567 nan 8.290 nan 0.000 0.529 746 W N 0.536 121.802 121.300 -0.057 0.000 3.227 746 W HA 0.643 5.303 4.660 -0.000 0.000 0.246 746 W C 0.417 176.871 176.519 -0.108 0.000 1.007 746 W CA 0.499 57.806 57.345 -0.063 0.000 1.925 746 W CB -0.040 29.393 29.460 -0.044 0.000 1.062 746 W HN 0.116 nan 8.180 nan 0.000 0.649 747 L N 2.314 123.353 121.223 -0.307 0.000 2.346 747 L HA 0.356 4.696 4.340 -0.000 0.000 0.274 747 L C 0.691 177.383 176.870 -0.298 0.000 1.007 747 L CA -0.770 53.772 54.840 -0.497 0.000 0.818 747 L CB 1.878 43.344 42.059 -0.989 0.000 1.284 747 L HN -0.088 nan 8.230 nan 0.000 0.424 748 T N -1.284 113.130 114.554 -0.234 0.000 2.868 748 T HA 0.228 4.578 4.350 -0.000 0.000 0.292 748 T C -1.948 172.645 174.700 -0.179 0.000 1.028 748 T CA -1.509 60.495 62.100 -0.160 0.000 1.059 748 T CB 1.181 69.979 68.868 -0.117 0.000 0.991 748 T HN 0.339 nan 8.240 nan 0.000 0.531 749 P HA -0.046 nan 4.420 nan 0.000 0.219 749 P C 1.086 178.327 177.300 -0.099 0.000 1.146 749 P CA 0.925 63.963 63.100 -0.103 0.000 0.808 749 P CB 0.067 31.730 31.700 -0.063 0.000 0.779 750 E N -0.483 119.658 120.200 -0.098 0.000 2.072 750 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 750 E C 1.766 178.286 176.600 -0.133 0.000 0.985 750 E CA 1.072 57.417 56.400 -0.092 0.000 0.801 750 E CB -1.026 28.629 29.700 -0.076 0.000 0.750 750 E HN 0.239 nan 8.360 nan 0.000 0.452 751 D N -0.149 120.144 120.400 -0.179 0.000 2.123 751 D HA -0.139 4.501 4.640 -0.000 0.000 0.196 751 D C 1.737 177.882 176.300 -0.258 0.000 0.992 751 D CA 0.887 54.741 54.000 -0.244 0.000 0.833 751 D CB -0.400 40.214 40.800 -0.311 0.000 0.954 751 D HN 0.217 nan 8.370 nan 0.000 0.455 752 C N 0.531 119.679 119.300 -0.254 0.000 2.419 752 C HA -0.049 4.411 4.460 -0.000 0.000 0.281 752 C C 2.310 177.329 174.990 0.049 0.000 1.336 752 C CA 0.321 59.253 59.018 -0.145 0.000 1.770 752 C CB -0.843 26.815 27.740 -0.137 0.000 1.929 752 C HN 0.315 nan 8.230 nan 0.000 0.509 753 R N -0.052 120.437 120.500 -0.019 0.000 2.297 753 R HA 0.114 4.454 4.340 -0.000 0.000 0.197 753 R C 1.414 177.690 176.300 -0.039 0.000 0.943 753 R CA 0.390 56.514 56.100 0.041 0.000 1.038 753 R CB 0.047 30.360 30.300 0.022 0.000 0.957 753 R HN 0.550 nan 8.270 nan 0.000 0.484 754 R N -0.149 120.155 120.500 -0.326 0.000 2.549 754 R HA 0.138 4.478 4.340 -0.000 0.000 0.399 754 R C -0.390 175.108 176.300 -1.337 0.000 0.964 754 R CA 0.037 55.606 56.100 -0.885 0.000 1.173 754 R CB 1.354 31.397 30.300 -0.428 0.000 1.535 754 R HN 0.049 nan 8.270 nan 0.000 0.551 755 S N -0.150 115.110 115.700 -0.735 0.000 2.638 755 S HA 0.728 5.198 4.470 -0.000 0.000 0.274 755 S C -0.836 173.917 174.600 0.254 0.000 1.157 755 S CA -0.951 57.064 58.200 -0.309 0.000 0.826 755 S CB 1.637 64.697 63.200 -0.233 0.000 1.139 755 S HN 0.169 nan 8.310 nan 0.000 0.474 756 F N -0.807 119.218 119.950 0.125 0.000 2.650 756 F HA 0.885 5.412 4.527 -0.000 0.000 0.320 756 F C -1.443 174.281 175.800 -0.127 0.000 1.091 756 F CA -1.480 56.376 58.000 -0.242 0.000 0.962 756 F CB 0.842 39.410 39.000 -0.721 0.000 1.363 756 F HN 0.618 nan 8.300 nan 0.000 0.482 757 L N 2.716 123.862 121.223 -0.129 0.000 2.282 757 L HA 0.578 4.918 4.340 -0.000 0.000 0.288 757 L C -0.638 176.304 176.870 0.119 0.000 1.033 757 L CA -0.498 54.359 54.840 0.028 0.000 0.807 757 L CB 1.031 43.121 42.059 0.052 0.000 1.209 757 L HN 0.744 nan 8.230 nan 0.000 0.423 758 K N 4.440 124.915 120.400 0.125 0.000 2.185 758 K HA 0.735 5.055 4.320 -0.000 0.000 0.269 758 K C -1.751 174.883 176.600 0.057 0.000 0.987 758 K CA -0.153 56.217 56.287 0.139 0.000 0.865 758 K CB 0.880 33.484 32.500 0.173 0.000 1.090 758 K HN 0.520 nan 8.250 nan 0.000 0.450 759 L N 5.438 126.679 121.223 0.031 0.000 2.385 759 L HA 0.597 4.936 4.340 -0.000 0.000 0.273 759 L C -0.724 176.136 176.870 -0.017 0.000 0.990 759 L CA -0.433 54.402 54.840 -0.008 0.000 0.821 759 L CB 1.707 43.759 42.059 -0.013 0.000 1.279 759 L HN 0.574 nan 8.230 nan 0.000 0.412 760 I N 3.268 123.814 120.570 -0.039 0.000 2.647 760 I HA 0.485 4.655 4.170 -0.000 0.000 0.295 760 I C -1.348 174.734 176.117 -0.059 0.000 1.078 760 I CA -0.851 60.422 61.300 -0.044 0.000 1.048 760 I CB 2.622 40.598 38.000 -0.041 0.000 1.239 760 I HN 0.344 nan 8.210 nan 0.000 0.421 761 L N 6.340 127.530 121.223 -0.056 0.000 2.333 761 L HA 0.553 4.893 4.340 -0.000 0.000 0.280 761 L C -1.046 175.789 176.870 -0.059 0.000 1.004 761 L CA -0.079 54.728 54.840 -0.055 0.000 0.820 761 L CB 1.090 43.127 42.059 -0.037 0.000 1.247 761 L HN 0.477 nan 8.230 nan 0.000 0.416 762 K N 2.659 123.031 120.400 -0.046 0.000 2.375 762 K HA 0.468 4.788 4.320 -0.000 0.000 0.249 762 K C -1.157 175.449 176.600 0.010 0.000 0.942 762 K CA -0.935 55.334 56.287 -0.030 0.000 0.806 762 K CB 1.847 34.335 32.500 -0.020 0.000 1.227 762 K HN 0.734 nan 8.250 nan 0.000 0.430 763 D N 0.723 121.149 120.400 0.043 0.000 2.414 763 D HA 0.054 4.694 4.640 -0.000 0.000 0.251 763 D C 0.644 176.982 176.300 0.063 0.000 1.252 763 D CA -0.282 53.756 54.000 0.063 0.000 0.999 763 D CB 0.646 41.502 40.800 0.094 0.000 1.093 763 D HN 0.312 nan 8.370 nan 0.000 0.515 764 K N -0.673 119.761 120.400 0.056 0.000 2.089 764 K HA -0.207 4.113 4.320 -0.000 0.000 0.210 764 K C 1.960 178.589 176.600 0.050 0.000 1.048 764 K CA 2.074 58.391 56.287 0.049 0.000 0.926 764 K CB -0.365 32.156 32.500 0.034 0.000 0.714 764 K HN 0.554 nan 8.250 nan 0.000 0.448 765 S N -0.807 114.927 115.700 0.056 0.000 2.561 765 S HA 0.054 4.523 4.470 -0.000 0.000 0.225 765 S C 1.340 175.981 174.600 0.067 0.000 0.977 765 S CA 0.621 58.853 58.200 0.053 0.000 0.926 765 S CB 0.219 63.448 63.200 0.048 0.000 0.769 765 S HN 0.498 nan 8.310 nan 0.000 0.533 766 G N 0.516 109.361 108.800 0.076 0.000 2.141 766 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.231 766 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.231 766 G C -0.101 174.845 174.900 0.077 0.000 0.984 766 G CA 0.168 45.307 45.100 0.064 0.000 0.660 766 G HN 0.925 nan 8.290 nan 0.000 0.525 767 H N 0.923 120.000 119.070 0.012 0.000 2.767 767 H HA 0.536 5.092 4.556 -0.000 0.000 0.316 767 H C 0.589 175.923 175.328 0.009 0.000 1.059 767 H CA 0.348 56.402 56.048 0.010 0.000 1.461 767 H CB 0.725 30.493 29.762 0.010 0.000 1.475 767 H HN 0.415 nan 8.280 nan 0.000 0.531 768 Q N 4.241 123.719 119.800 -0.537 0.000 2.297 768 Q HA 0.139 4.479 4.340 -0.000 0.000 0.267 768 Q C -0.296 175.389 176.000 -0.525 0.000 1.006 768 Q CA -0.343 55.223 55.803 -0.395 0.000 0.896 768 Q CB 0.776 29.373 28.738 -0.235 0.000 1.186 768 Q HN 0.729 nan 8.270 nan 0.000 0.392 769 V N 2.941 122.712 119.914 -0.240 0.000 3.263 769 V HA 0.357 4.477 4.120 -0.000 0.000 0.248 769 V C 0.197 176.256 176.094 -0.059 0.000 1.145 769 V CA 0.960 63.194 62.300 -0.111 0.000 1.107 769 V CB 0.488 32.303 31.823 -0.014 0.000 0.797 769 V HN 0.807 nan 8.190 nan 0.000 0.467 770 A N 0.484 123.266 122.820 -0.063 0.000 2.610 770 A HA 0.776 5.096 4.320 -0.000 0.000 0.291 770 A C -1.268 176.294 177.584 -0.036 0.000 1.086 770 A CA -0.530 51.488 52.037 -0.032 0.000 0.677 770 A CB 1.556 20.549 19.000 -0.012 0.000 1.278 770 A HN 0.300 nan 8.150 nan 0.000 0.414 771 E N 0.024 120.211 120.200 -0.021 0.000 2.413 771 E HA 0.822 5.172 4.350 -0.000 0.000 0.277 771 E C -1.206 175.392 176.600 -0.004 0.000 0.958 771 E CA -0.809 55.581 56.400 -0.016 0.000 0.779 771 E CB 2.041 31.730 29.700 -0.019 0.000 1.278 771 E HN 0.491 nan 8.360 nan 0.000 0.456 772 S N 0.158 115.860 115.700 0.002 0.000 2.596 772 S HA 0.559 5.029 4.470 -0.000 0.000 0.270 772 S C -1.354 173.253 174.600 0.013 0.000 1.155 772 S CA -0.708 57.498 58.200 0.011 0.000 0.827 772 S CB 1.998 65.209 63.200 0.018 0.000 1.130 772 S HN 0.419 nan 8.310 nan 0.000 0.467 773 V N 1.914 121.829 119.914 0.002 0.000 2.656 773 V HA 0.568 4.688 4.120 -0.000 0.000 0.307 773 V C -1.113 174.948 176.094 -0.055 0.000 1.051 773 V CA -0.562 61.705 62.300 -0.055 0.000 0.893 773 V CB 1.815 33.541 31.823 -0.162 0.000 0.999 773 V HN 0.966 nan 8.190 nan 0.000 0.426 774 H N 3.407 122.302 119.070 -0.291 0.000 2.667 774 H HA 0.681 5.237 4.556 -0.000 0.000 0.353 774 H C -1.641 173.290 175.328 -0.662 0.000 1.072 774 H CA -0.567 55.287 56.048 -0.322 0.000 1.214 774 H CB 1.401 30.991 29.762 -0.286 0.000 1.600 774 H HN 0.428 nan 8.280 nan 0.000 0.527 775 F N 4.508 123.972 119.950 -0.810 0.000 2.422 775 F HA 0.240 4.767 4.527 -0.000 0.000 0.333 775 F C 0.199 175.484 175.800 -0.859 0.000 1.095 775 F CA -0.579 57.049 58.000 -0.619 0.000 1.038 775 F CB 0.901 39.748 39.000 -0.255 0.000 1.156 775 F HN 0.576 nan 8.300 nan 0.000 0.483 776 F N 0.834 120.757 119.950 -0.045 0.000 2.776 776 F HA 0.252 4.779 4.527 -0.000 0.000 0.300 776 F C 0.892 176.695 175.800 0.005 0.000 1.116 776 F CA 0.160 58.150 58.000 -0.017 0.000 1.375 776 F CB -0.063 38.926 39.000 -0.018 0.000 1.109 776 F HN 0.154 nan 8.300 nan 0.000 0.585 777 R N 0.125 120.729 120.500 0.173 0.000 2.836 777 R HA 0.355 4.695 4.340 -0.000 0.000 0.269 777 R C -0.312 175.979 176.300 -0.015 0.000 1.010 777 R CA -1.019 55.128 56.100 0.078 0.000 0.930 777 R CB 1.400 31.754 30.300 0.090 0.000 1.218 777 R HN -0.005 nan 8.270 nan 0.000 0.473 778 K N 0.328 120.678 120.400 -0.084 0.000 2.380 778 K HA 0.047 4.367 4.320 -0.000 0.000 0.267 778 K C 0.951 177.398 176.600 -0.254 0.000 0.990 778 K CA 0.170 56.337 56.287 -0.201 0.000 0.946 778 K CB 0.475 32.849 32.500 -0.211 0.000 0.937 778 K HN 0.425 nan 8.250 nan 0.000 0.491 779 T N 2.037 116.328 114.554 -0.439 0.000 2.759 779 T HA -0.190 4.160 4.350 -0.000 0.000 0.269 779 T C 1.632 176.163 174.700 -0.281 0.000 1.042 779 T CA 1.781 63.629 62.100 -0.420 0.000 1.140 779 T CB -0.109 68.417 68.868 -0.570 0.000 0.864 779 T HN 0.636 nan 8.240 nan 0.000 0.455 780 K N 0.909 121.110 120.400 -0.331 0.000 2.360 780 K HA -0.101 4.219 4.320 -0.000 0.000 0.201 780 K C 0.971 177.471 176.600 -0.167 0.000 1.046 780 K CA 1.519 57.662 56.287 -0.240 0.000 0.945 780 K CB 0.040 32.409 32.500 -0.218 0.000 0.750 780 K HN 0.207 nan 8.250 nan 0.000 0.464 781 D N 0.793 121.121 120.400 -0.119 0.000 2.369 781 D HA 0.140 4.780 4.640 -0.000 0.000 0.211 781 D C 0.280 176.593 176.300 0.022 0.000 1.077 781 D CA 0.037 54.007 54.000 -0.050 0.000 0.842 781 D CB 0.284 41.059 40.800 -0.042 0.000 0.947 781 D HN 0.174 nan 8.370 nan 0.000 0.509 782 L N 1.236 122.488 121.223 0.048 0.000 2.397 782 L HA 0.172 4.512 4.340 -0.000 0.000 0.271 782 L C 0.721 177.727 176.870 0.226 0.000 1.148 782 L CA -0.076 54.885 54.840 0.202 0.000 0.825 782 L CB 0.720 42.903 42.059 0.208 0.000 1.117 782 L HN -0.330 nan 8.230 nan 0.000 0.456 783 Q N 4.228 124.219 119.800 0.319 0.000 2.681 783 Q HA 0.333 4.673 4.340 -0.000 0.000 0.222 783 Q C -0.868 175.375 176.000 0.406 0.000 1.258 783 Q CA -0.207 55.760 55.803 0.273 0.000 1.014 783 Q CB 0.476 29.315 28.738 0.168 0.000 1.384 783 Q HN 0.496 nan 8.270 nan 0.000 0.570 784 L N 4.530 125.934 121.223 0.302 0.000 2.367 784 L HA 0.304 4.644 4.340 -0.000 0.000 0.275 784 L C -1.752 175.220 176.870 0.171 0.000 1.129 784 L CA -1.776 53.178 54.840 0.189 0.000 0.839 784 L CB 0.158 42.279 42.059 0.103 0.000 1.133 784 L HN 0.269 nan 8.230 nan 0.000 0.453 785 P HA 0.175 nan 4.420 nan 0.000 0.276 785 P C -2.558 174.778 177.300 0.060 0.000 1.244 785 P CA -1.837 61.332 63.100 0.115 0.000 0.801 785 P CB 0.303 32.082 31.700 0.130 0.000 1.006 786 P HA 0.034 nan 4.420 nan 0.000 0.230 786 P C 0.176 177.494 177.300 0.031 0.000 1.791 786 P CA 0.021 63.139 63.100 0.030 0.000 1.020 786 P CB -0.940 30.767 31.700 0.012 0.000 1.977 787 T N -1.254 113.314 114.554 0.023 0.000 2.926 787 T HA 0.206 4.556 4.350 -0.000 0.000 0.307 787 T C 0.393 175.084 174.700 -0.014 0.000 1.059 787 T CA -0.285 61.793 62.100 -0.036 0.000 1.122 787 T CB 0.183 68.955 68.868 -0.161 0.000 0.972 787 T HN 0.078 nan 8.240 nan 0.000 0.545 788 S N 1.452 117.139 115.700 -0.021 0.000 2.442 788 S HA 0.506 4.976 4.470 -0.000 0.000 0.297 788 S C -0.220 174.365 174.600 -0.025 0.000 1.131 788 S CA -0.838 57.364 58.200 0.003 0.000 1.092 788 S CB 1.006 64.220 63.200 0.024 0.000 0.998 788 S HN 0.660 nan 8.310 nan 0.000 0.478 789 V N 3.950 123.862 119.914 -0.004 0.000 2.398 789 V HA 0.574 4.694 4.120 -0.000 0.000 0.286 789 V C 0.176 176.324 176.094 0.091 0.000 1.026 789 V CA -0.584 61.717 62.300 0.002 0.000 0.868 789 V CB 1.423 33.229 31.823 -0.030 0.000 0.982 789 V HN 0.968 nan 8.190 nan 0.000 0.443 790 S N 4.715 120.497 115.700 0.136 0.000 2.568 790 S HA 0.915 5.385 4.470 -0.000 0.000 0.302 790 S C -1.004 173.728 174.600 0.220 0.000 1.082 790 S CA -0.726 57.551 58.200 0.128 0.000 1.009 790 S CB 1.948 65.209 63.200 0.102 0.000 1.069 790 S HN 0.855 nan 8.310 nan 0.000 0.500 791 Y N -1.052 119.271 120.300 0.039 0.000 2.562 791 Y HA 0.724 5.274 4.550 -0.000 0.000 0.345 791 Y C -1.109 174.800 175.900 0.014 0.000 1.045 791 Y CA -1.226 56.895 58.100 0.035 0.000 1.028 791 Y CB 1.013 39.484 38.460 0.018 0.000 1.297 791 Y HN 0.658 nan 8.280 nan 0.000 0.463 792 Q N 3.098 122.954 119.800 0.095 0.000 2.274 792 Q HA 0.570 4.910 4.340 -0.000 0.000 0.260 792 Q C -1.071 175.024 176.000 0.158 0.000 0.974 792 Q CA -1.012 54.802 55.803 0.019 0.000 0.876 792 Q CB 2.656 31.398 28.738 0.007 0.000 1.297 792 Q HN 0.682 nan 8.270 nan 0.000 0.446 793 M N 1.930 121.594 119.600 0.106 0.000 2.294 793 M HA 0.352 4.832 4.480 -0.000 0.000 0.335 793 M C -0.952 175.377 176.300 0.047 0.000 1.079 793 M CA -0.473 54.900 55.300 0.122 0.000 0.982 793 M CB 1.584 34.263 32.600 0.131 0.000 1.651 793 M HN 0.422 nan 8.290 nan 0.000 0.437 794 K N 3.664 124.083 120.400 0.033 0.000 2.572 794 K HA 0.300 4.620 4.320 -0.000 0.000 0.244 794 K C -1.187 175.414 176.600 0.002 0.000 0.965 794 K CA -0.303 55.990 56.287 0.011 0.000 0.943 794 K CB 1.425 33.928 32.500 0.005 0.000 1.154 794 K HN 0.681 nan 8.250 nan 0.000 0.447 795 Q N 2.651 122.450 119.800 -0.002 0.000 2.271 795 Q HA 0.305 4.645 4.340 -0.000 0.000 0.258 795 Q C -0.991 175.001 176.000 -0.014 0.000 0.936 795 Q CA -0.276 55.520 55.803 -0.011 0.000 0.909 795 Q CB 1.921 30.652 28.738 -0.010 0.000 1.253 795 Q HN 0.599 nan 8.270 nan 0.000 0.440 796 T N 1.399 115.942 114.554 -0.020 0.000 2.742 796 T HA 0.256 4.606 4.350 -0.000 0.000 0.282 796 T C -1.266 173.421 174.700 -0.021 0.000 1.025 796 T CA -0.735 61.354 62.100 -0.018 0.000 1.020 796 T CB 0.965 69.823 68.868 -0.016 0.000 1.317 796 T HN 0.604 nan 8.240 nan 0.000 0.538 797 D N 0.760 121.149 120.400 -0.018 0.000 2.434 797 D HA 0.365 5.005 4.640 -0.000 0.000 0.252 797 D C 1.320 177.605 176.300 -0.024 0.000 1.185 797 D CA 1.779 55.768 54.000 -0.018 0.000 0.886 797 D CB 0.519 41.311 40.800 -0.013 0.000 1.148 797 D HN 0.981 nan 8.370 nan 0.000 0.483 798 G N 2.633 111.415 108.800 -0.030 0.000 2.184 798 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.264 798 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.264 798 G C 0.465 175.334 174.900 -0.053 0.000 0.975 798 G CA 0.713 45.791 45.100 -0.037 0.000 0.642 798 G HN 0.614 nan 8.290 nan 0.000 0.536 799 K N -0.769 119.599 120.400 -0.053 0.000 2.550 799 K HA 0.527 4.846 4.320 -0.000 0.000 0.252 799 K C -1.267 175.297 176.600 -0.060 0.000 0.943 799 K CA -0.451 55.798 56.287 -0.063 0.000 0.806 799 K CB 1.436 33.908 32.500 -0.047 0.000 1.289 799 K HN 0.442 nan 8.250 nan 0.000 0.435 800 C N 4.163 123.415 119.300 -0.080 0.000 2.340 800 C HA 0.491 4.951 4.460 -0.000 0.000 0.323 800 C C -0.781 174.175 174.990 -0.056 0.000 1.260 800 C CA -0.313 58.667 59.018 -0.063 0.000 1.464 800 C CB 0.515 28.207 27.740 -0.080 0.000 2.156 800 C HN 0.905 nan 8.230 nan 0.000 0.476 801 E N 4.510 124.695 120.200 -0.024 0.000 2.109 801 E HA 0.491 4.841 4.350 -0.000 0.000 0.278 801 E C -1.103 175.508 176.600 0.019 0.000 0.954 801 E CA -0.359 56.035 56.400 -0.009 0.000 0.779 801 E CB 1.327 31.025 29.700 -0.004 0.000 1.093 801 E HN 0.527 nan 8.360 nan 0.000 0.401 802 L N 2.388 123.624 121.223 0.022 0.000 2.325 802 L HA 0.397 4.737 4.340 -0.000 0.000 0.278 802 L C -0.034 176.881 176.870 0.075 0.000 1.023 802 L CA -0.245 54.633 54.840 0.064 0.000 0.811 802 L CB 2.076 44.136 42.059 0.002 0.000 1.249 802 L HN 0.387 nan 8.230 nan 0.000 0.431 803 T N 3.564 118.191 114.554 0.122 0.000 2.840 803 T HA 0.649 4.999 4.350 -0.000 0.000 0.287 803 T C -0.663 174.142 174.700 0.174 0.000 0.991 803 T CA -0.407 61.758 62.100 0.108 0.000 0.964 803 T CB 0.966 69.880 68.868 0.076 0.000 0.954 803 T HN 0.072 nan 8.240 nan 0.000 0.438 804 L N 3.490 124.814 121.223 0.167 0.000 2.334 804 L HA 0.764 5.104 4.340 -0.000 0.000 0.275 804 L C -0.699 176.317 176.870 0.244 0.000 1.036 804 L CA -0.639 54.324 54.840 0.206 0.000 0.807 804 L CB 1.148 43.304 42.059 0.162 0.000 1.231 804 L HN 0.635 nan 8.230 nan 0.000 0.438 805 F N 1.277 121.262 119.950 0.059 0.000 2.591 805 F HA 0.710 5.237 4.527 -0.000 0.000 0.309 805 F C -0.650 175.159 175.800 0.015 0.000 1.098 805 F CA -0.277 57.741 58.000 0.030 0.000 0.937 805 F CB 2.103 41.116 39.000 0.021 0.000 1.250 805 F HN 0.354 nan 8.300 nan 0.000 0.447 806 S N 2.061 117.187 115.700 -0.958 0.000 2.546 806 S HA 0.367 4.837 4.470 -0.000 0.000 0.272 806 S C 0.235 174.250 174.600 -0.976 0.000 1.140 806 S CA 0.006 57.775 58.200 -0.718 0.000 0.920 806 S CB 1.411 64.386 63.200 -0.376 0.000 1.083 806 S HN 0.900 nan 8.310 nan 0.000 0.476 807 S N 4.139 119.525 115.700 -0.522 0.000 2.481 807 S HA 0.201 4.671 4.470 -0.000 0.000 0.231 807 S C 0.642 175.163 174.600 -0.132 0.000 0.996 807 S CA 0.401 58.456 58.200 -0.240 0.000 0.942 807 S CB -0.439 62.778 63.200 0.027 0.000 0.768 807 S HN 0.676 nan 8.310 nan 0.000 0.520 808 M N 0.678 120.195 119.600 -0.138 0.000 2.644 808 M HA 0.489 4.969 4.480 -0.000 0.000 0.304 808 M C -0.960 175.281 176.300 -0.098 0.000 1.215 808 M CA -1.112 54.163 55.300 -0.042 0.000 0.871 808 M CB 1.715 34.310 32.600 -0.007 0.000 1.740 808 M HN 0.078 nan 8.290 nan 0.000 0.464 809 L N 2.258 123.461 121.223 -0.033 0.000 2.578 809 L HA 0.323 4.663 4.340 -0.000 0.000 0.279 809 L C -0.499 176.218 176.870 -0.254 0.000 1.227 809 L CA 0.648 55.396 54.840 -0.153 0.000 0.900 809 L CB 0.122 42.023 42.059 -0.263 0.000 1.144 809 L HN 0.751 nan 8.230 nan 0.000 0.496 810 A N 5.188 127.832 122.820 -0.293 0.000 2.304 810 A HA 0.592 4.912 4.320 -0.000 0.000 0.314 810 A C -0.559 176.872 177.584 -0.255 0.000 1.187 810 A CA -0.829 50.966 52.037 -0.404 0.000 0.810 810 A CB 0.765 19.396 19.000 -0.616 0.000 1.183 810 A HN 0.668 nan 8.150 nan 0.000 0.487 811 K N 2.309 122.604 120.400 -0.175 0.000 2.227 811 K HA 0.332 4.652 4.320 -0.000 0.000 0.280 811 K C -0.453 176.109 176.600 -0.063 0.000 1.041 811 K CA 0.061 56.248 56.287 -0.166 0.000 0.905 811 K CB 0.253 32.631 32.500 -0.204 0.000 1.068 811 K HN 0.675 nan 8.250 nan 0.000 0.470 812 D N 3.390 123.732 120.400 -0.097 0.000 2.697 812 D HA -0.221 4.419 4.640 -0.000 0.000 0.238 812 D C -0.214 176.064 176.300 -0.037 0.000 1.152 812 D CA 0.579 54.553 54.000 -0.043 0.000 0.666 812 D CB -0.568 40.231 40.800 -0.002 0.000 1.037 812 D HN 0.454 nan 8.370 nan 0.000 0.423 813 I N 0.586 120.984 120.570 -0.286 0.000 2.752 813 I HA -0.063 4.107 4.170 -0.000 0.000 0.289 813 I C 0.657 176.407 176.117 -0.611 0.000 1.197 813 I CA 0.669 61.703 61.300 -0.444 0.000 1.432 813 I CB -0.013 37.576 38.000 -0.685 0.000 1.359 813 I HN 0.028 nan 8.210 nan 0.000 0.571 814 F N 8.563 128.054 119.950 -0.765 0.000 2.460 814 F HA 0.497 5.023 4.527 -0.000 0.000 0.341 814 F C -0.353 174.990 175.800 -0.763 0.000 1.130 814 F CA -1.521 55.850 58.000 -1.048 0.000 0.962 814 F CB 0.786 39.201 39.000 -0.975 0.000 1.171 814 F HN 0.196 nan 8.300 nan 0.000 0.436 815 I N 5.773 125.850 120.570 -0.820 0.000 2.291 815 I HA 0.209 4.379 4.170 -0.000 0.000 0.292 815 I C -0.042 175.528 176.117 -0.911 0.000 1.064 815 I CA -0.136 60.749 61.300 -0.691 0.000 1.269 815 I CB 0.714 38.538 38.000 -0.294 0.000 1.418 815 I HN 0.562 nan 8.210 nan 0.000 0.485 816 E N 5.996 125.548 120.200 -1.080 0.000 2.175 816 E HA 0.435 4.785 4.350 -0.000 0.000 0.278 816 E C -0.706 175.678 176.600 -0.360 0.000 0.969 816 E CA -0.496 55.326 56.400 -0.962 0.000 0.796 816 E CB 1.229 30.280 29.700 -1.083 0.000 1.104 816 E HN 0.634 nan 8.360 nan 0.000 0.395 817 T N 1.078 115.557 114.554 -0.125 0.000 2.916 817 T HA 0.453 4.803 4.350 -0.000 0.000 0.292 817 T C -2.143 172.545 174.700 -0.020 0.000 1.055 817 T CA -1.713 60.347 62.100 -0.067 0.000 1.009 817 T CB 1.753 70.594 68.868 -0.045 0.000 1.118 817 T HN 0.272 nan 8.240 nan 0.000 0.497 818 P HA 0.222 nan 4.420 nan 0.000 0.245 818 P C 0.251 177.551 177.300 -0.000 0.000 1.206 818 P CA -0.092 63.004 63.100 -0.008 0.000 0.781 818 P CB 0.169 31.859 31.700 -0.017 0.000 0.994 819 L N 1.507 122.727 121.223 -0.005 0.000 2.385 819 L HA 0.094 4.434 4.340 -0.000 0.000 0.281 819 L C 0.912 177.794 176.870 0.020 0.000 1.106 819 L CA -0.248 54.588 54.840 -0.008 0.000 0.856 819 L CB 0.101 42.141 42.059 -0.032 0.000 1.186 819 L HN -0.028 nan 8.230 nan 0.000 0.453 820 Q N 2.584 122.390 119.800 0.010 0.000 2.286 820 Q HA 0.028 4.367 4.340 -0.000 0.000 0.290 820 Q C 1.210 177.251 176.000 0.067 0.000 1.049 820 Q CA 0.998 56.822 55.803 0.035 0.000 0.923 820 Q CB 0.819 29.535 28.738 -0.038 0.000 1.183 820 Q HN 0.929 nan 8.270 nan 0.000 0.383 821 G N 1.646 110.517 108.800 0.118 0.000 2.168 821 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.263 821 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.263 821 G C 0.418 175.354 174.900 0.060 0.000 0.977 821 G CA 0.222 45.385 45.100 0.106 0.000 0.659 821 G HN 0.939 nan 8.290 nan 0.000 0.533 822 A N 0.041 122.886 122.820 0.043 0.000 2.540 822 A HA 0.554 4.874 4.320 -0.000 0.000 0.239 822 A C 0.866 178.415 177.584 -0.058 0.000 1.061 822 A CA 0.643 52.642 52.037 -0.064 0.000 0.758 822 A CB 0.177 19.087 19.000 -0.149 0.000 0.991 822 A HN 0.594 nan 8.150 nan 0.000 0.502 823 R N 0.729 121.122 120.500 -0.180 0.000 2.532 823 R HA 0.545 4.885 4.340 -0.000 0.000 0.295 823 R C -1.565 174.596 176.300 -0.230 0.000 0.968 823 R CA -0.211 55.784 56.100 -0.176 0.000 0.916 823 R CB 1.332 31.509 30.300 -0.205 0.000 1.124 823 R HN 0.763 nan 8.270 nan 0.000 0.463 824 Y N -0.457 119.739 120.300 -0.174 0.000 2.409 824 Y HA 0.085 4.635 4.550 -0.000 0.000 0.343 824 Y C 1.424 177.296 175.900 -0.046 0.000 0.973 824 Y CA -0.716 57.353 58.100 -0.050 0.000 1.064 824 Y CB 2.299 40.801 38.460 0.070 0.000 1.207 824 Y HN 0.720 nan 8.280 nan 0.000 0.452 825 S N -0.322 115.454 115.700 0.127 0.000 2.399 825 S HA -0.080 4.390 4.470 -0.000 0.000 0.231 825 S C 0.085 174.789 174.600 0.173 0.000 1.022 825 S CA 1.408 59.662 58.200 0.090 0.000 0.983 825 S CB 0.057 63.281 63.200 0.041 0.000 0.803 825 S HN 0.733 nan 8.310 nan 0.000 0.480 826 D N -0.590 119.940 120.400 0.216 0.000 2.623 826 D HA 0.618 5.258 4.640 -0.000 0.000 0.241 826 D C -1.638 174.714 176.300 0.086 0.000 1.241 826 D CA -0.451 53.663 54.000 0.191 0.000 0.788 826 D CB 1.842 42.653 40.800 0.019 0.000 1.413 826 D HN 0.086 nan 8.370 nan 0.000 0.429 827 N N 0.421 118.934 118.700 -0.312 0.000 3.185 827 N HA 0.342 5.082 4.740 -0.000 0.000 0.238 827 N C -1.223 173.971 175.510 -0.528 0.000 1.451 827 N CA -0.478 52.206 53.050 -0.609 0.000 0.888 827 N CB 0.735 38.551 38.487 -1.117 0.000 1.413 827 N HN 0.436 nan 8.380 nan 0.000 0.511 828 F N -0.099 119.489 119.950 -0.603 0.000 2.969 828 F HA -0.213 4.313 4.527 -0.000 0.000 0.273 828 F C -0.525 175.120 175.800 -0.258 0.000 0.986 828 F CA 0.672 58.429 58.000 -0.405 0.000 0.926 828 F CB -1.757 37.057 39.000 -0.311 0.000 0.887 828 F HN 0.331 nan 8.300 nan 0.000 0.816 829 F N -2.091 117.820 119.950 -0.065 0.000 2.593 829 F HA 0.760 5.286 4.527 -0.000 0.000 0.320 829 F C -0.001 175.756 175.800 -0.072 0.000 1.060 829 F CA -2.023 55.942 58.000 -0.057 0.000 0.940 829 F CB 0.760 39.714 39.000 -0.077 0.000 1.268 829 F HN -0.177 nan 8.300 nan 0.000 0.475 830 D N 2.037 122.543 120.400 0.178 0.000 2.350 830 D HA 0.227 4.867 4.640 -0.000 0.000 0.249 830 D C -0.752 175.644 176.300 0.160 0.000 1.119 830 D CA -0.001 54.035 54.000 0.059 0.000 0.886 830 D CB 2.146 42.952 40.800 0.009 0.000 1.195 830 D HN 0.476 nan 8.370 nan 0.000 0.437 831 L N 3.905 125.158 121.223 0.049 0.000 2.261 831 L HA 0.234 4.574 4.340 -0.000 0.000 0.289 831 L C -0.589 176.223 176.870 -0.098 0.000 1.059 831 L CA -0.288 54.573 54.840 0.035 0.000 0.816 831 L CB 0.288 42.346 42.059 -0.001 0.000 1.191 831 L HN 0.219 nan 8.230 nan 0.000 0.431 832 L N 7.026 128.194 121.223 -0.093 0.000 2.395 832 L HA 0.401 4.741 4.340 -0.000 0.000 0.269 832 L C -1.844 174.998 176.870 -0.046 0.000 1.133 832 L CA -2.011 52.770 54.840 -0.098 0.000 0.812 832 L CB 0.531 42.553 42.059 -0.063 0.000 1.125 832 L HN 0.478 nan 8.230 nan 0.000 0.452 833 P HA 0.020 nan 4.420 nan 0.000 0.262 833 P C 0.738 178.026 177.300 -0.019 0.000 1.199 833 P CA 0.538 63.635 63.100 -0.005 0.000 0.763 833 P CB 0.694 32.471 31.700 0.129 0.000 0.790 834 G N 2.538 111.227 108.800 -0.184 0.000 2.168 834 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.263 834 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.263 834 G C -0.136 174.876 174.900 0.187 0.000 0.977 834 G CA -0.126 44.997 45.100 0.038 0.000 0.659 834 G HN 0.609 nan 8.290 nan 0.000 0.533 835 E N 0.774 121.008 120.200 0.058 0.000 2.101 835 E HA 0.315 4.665 4.350 -0.000 0.000 0.260 835 E C 0.812 177.475 176.600 0.106 0.000 0.897 835 E CA -0.835 55.623 56.400 0.096 0.000 0.744 835 E CB 0.777 30.507 29.700 0.050 0.000 1.140 835 E HN 0.659 nan 8.360 nan 0.000 0.419 836 R N 1.880 122.504 120.500 0.206 0.000 2.694 836 R HA 0.270 4.610 4.340 -0.000 0.000 0.268 836 R C -0.382 175.956 176.300 0.064 0.000 1.061 836 R CA -0.357 55.868 56.100 0.209 0.000 1.133 836 R CB 0.613 31.041 30.300 0.214 0.000 1.020 836 R HN 0.074 nan 8.270 nan 0.000 0.475 837 K N 1.918 122.340 120.400 0.037 0.000 2.507 837 K HA 0.256 4.576 4.320 -0.000 0.000 0.252 837 K C -1.528 175.042 176.600 -0.050 0.000 0.943 837 K CA -0.609 55.631 56.287 -0.077 0.000 0.808 837 K CB 1.704 34.100 32.500 -0.173 0.000 1.142 837 K HN 0.631 nan 8.250 nan 0.000 0.426 838 K N 3.432 123.787 120.400 -0.074 0.000 2.183 838 K HA 0.517 4.837 4.320 -0.000 0.000 0.274 838 K C -1.248 175.317 176.600 -0.058 0.000 1.009 838 K CA -0.816 55.450 56.287 -0.036 0.000 0.888 838 K CB 1.243 33.729 32.500 -0.023 0.000 1.078 838 K HN 0.412 nan 8.250 nan 0.000 0.459 839 V N 6.160 126.069 119.914 -0.009 0.000 2.531 839 V HA 0.398 4.518 4.120 -0.000 0.000 0.301 839 V C -0.443 175.659 176.094 0.013 0.000 1.034 839 V CA -0.829 61.486 62.300 0.025 0.000 0.865 839 V CB 1.679 33.571 31.823 0.115 0.000 0.995 839 V HN 0.696 nan 8.190 nan 0.000 0.424 840 I N 5.753 126.324 120.570 0.002 0.000 2.321 840 I HA 0.466 4.636 4.170 -0.000 0.000 0.291 840 I C -0.397 175.664 176.117 -0.092 0.000 0.998 840 I CA -0.232 61.045 61.300 -0.038 0.000 1.227 840 I CB 1.393 39.374 38.000 -0.032 0.000 1.368 840 I HN 0.424 nan 8.210 nan 0.000 0.466 841 I N 6.067 126.533 120.570 -0.172 0.000 2.321 841 I HA 0.330 4.500 4.170 -0.000 0.000 0.291 841 I C 0.108 176.078 176.117 -0.245 0.000 0.998 841 I CA -0.349 60.740 61.300 -0.352 0.000 1.227 841 I CB 1.483 39.204 38.000 -0.466 0.000 1.368 841 I HN 0.546 nan 8.210 nan 0.000 0.466 842 T N 1.732 116.141 114.554 -0.241 0.000 2.841 842 T HA 0.698 5.048 4.350 -0.000 0.000 0.283 842 T C -0.486 174.128 174.700 -0.144 0.000 1.000 842 T CA -0.841 61.167 62.100 -0.153 0.000 0.977 842 T CB 1.980 70.784 68.868 -0.107 0.000 0.979 842 T HN 0.550 nan 8.240 nan 0.000 0.446 843 S N 2.329 117.969 115.700 -0.101 0.000 2.542 843 S HA 0.513 4.983 4.470 -0.000 0.000 0.276 843 S C -2.424 172.148 174.600 -0.047 0.000 1.148 843 S CA -1.143 57.014 58.200 -0.072 0.000 0.886 843 S CB 1.841 64.993 63.200 -0.080 0.000 1.109 843 S HN 0.488 nan 8.310 nan 0.000 0.458 844 P HA 0.030 nan 4.420 nan 0.000 0.225 844 P C 0.803 178.093 177.300 -0.017 0.000 1.148 844 P CA 0.630 63.719 63.100 -0.017 0.000 0.779 844 P CB 0.004 31.701 31.700 -0.005 0.000 0.780 845 R N -0.756 119.731 120.500 -0.021 0.000 2.299 845 R HA 0.183 4.523 4.340 -0.000 0.000 0.197 845 R C 0.894 177.177 176.300 -0.028 0.000 0.971 845 R CA -0.042 56.046 56.100 -0.020 0.000 1.030 845 R CB -0.393 29.896 30.300 -0.017 0.000 0.932 845 R HN 0.237 nan 8.270 nan 0.000 0.477 846 I N 1.425 121.972 120.570 -0.039 0.000 2.471 846 I HA 0.044 4.214 4.170 -0.000 0.000 0.286 846 I C 0.180 176.278 176.117 -0.030 0.000 1.079 846 I CA 0.196 61.471 61.300 -0.042 0.000 1.398 846 I CB 0.827 38.791 38.000 -0.060 0.000 1.403 846 I HN -0.126 nan 8.210 nan 0.000 0.530 847 K N 6.721 127.106 120.400 -0.025 0.000 2.292 847 K HA 0.327 4.647 4.320 -0.000 0.000 0.257 847 K C -0.431 176.159 176.600 -0.017 0.000 0.940 847 K CA -0.899 55.377 56.287 -0.018 0.000 0.811 847 K CB 1.556 34.048 32.500 -0.013 0.000 1.120 847 K HN 0.413 nan 8.250 nan 0.000 0.428 848 K N 1.468 121.859 120.400 -0.014 0.000 2.414 848 K HA 0.038 4.358 4.320 -0.000 0.000 0.272 848 K C 0.540 177.134 176.600 -0.010 0.000 0.993 848 K CA 1.499 57.779 56.287 -0.012 0.000 0.964 848 K CB 0.291 32.785 32.500 -0.011 0.000 0.925 848 K HN 0.805 nan 8.250 nan 0.000 0.487 849 G N 1.947 110.741 108.800 -0.010 0.000 2.159 849 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.256 849 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.256 849 G C -0.241 174.654 174.900 -0.009 0.000 0.977 849 G CA 0.577 45.672 45.100 -0.009 0.000 0.652 849 G HN 0.671 nan 8.290 nan 0.000 0.531 850 E N -0.677 119.517 120.200 -0.010 0.000 2.412 850 E HA 0.673 5.023 4.350 -0.000 0.000 0.255 850 E C -0.556 176.039 176.600 -0.008 0.000 0.933 850 E CA -0.857 55.538 56.400 -0.010 0.000 0.823 850 E CB 1.567 31.260 29.700 -0.012 0.000 1.352 850 E HN 0.168 nan 8.360 nan 0.000 0.406 851 E N 1.479 121.675 120.200 -0.007 0.000 2.255 851 E HA 0.191 4.541 4.350 -0.000 0.000 0.256 851 E C -1.488 175.109 176.600 -0.006 0.000 0.887 851 E CA -0.693 55.707 56.400 -0.000 0.000 0.782 851 E CB 1.128 30.832 29.700 0.007 0.000 1.214 851 E HN 0.239 nan 8.360 nan 0.000 0.417 852 L N 6.363 127.577 121.223 -0.015 0.000 2.513 852 L HA 0.233 4.573 4.340 -0.000 0.000 0.272 852 L C -2.424 174.430 176.870 -0.027 0.000 1.187 852 L CA -0.957 53.862 54.840 -0.034 0.000 0.895 852 L CB 0.184 42.207 42.059 -0.061 0.000 1.147 852 L HN 0.400 nan 8.230 nan 0.000 0.483 853 P HA 0.154 nan 4.420 nan 0.000 0.267 853 P C -1.242 176.014 177.300 -0.074 0.000 1.205 853 P CA 0.009 63.088 63.100 -0.035 0.000 0.765 853 P CB 0.834 32.512 31.700 -0.036 0.000 0.828 854 V N 3.636 123.500 119.914 -0.083 0.000 2.686 854 V HA 0.438 4.558 4.120 -0.000 0.000 0.306 854 V C -0.390 175.593 176.094 -0.186 0.000 1.065 854 V CA -0.481 61.710 62.300 -0.182 0.000 0.894 854 V CB 2.097 33.741 31.823 -0.298 0.000 1.004 854 V HN 0.479 nan 8.190 nan 0.000 0.424 855 N N 4.386 122.925 118.700 -0.269 0.000 2.491 855 N HA 0.506 5.246 4.740 -0.000 0.000 0.274 855 N C -1.187 174.083 175.510 -0.400 0.000 1.023 855 N CA -0.346 52.541 53.050 -0.272 0.000 0.902 855 N CB 1.102 39.433 38.487 -0.260 0.000 1.267 855 N HN 0.622 nan 8.380 nan 0.000 0.503 856 I N 3.157 123.532 120.570 -0.325 0.000 2.304 856 I HA 0.260 4.430 4.170 -0.000 0.000 0.291 856 I C 0.212 176.124 176.117 -0.341 0.000 1.018 856 I CA -0.515 60.571 61.300 -0.357 0.000 1.260 856 I CB 0.863 38.722 38.000 -0.235 0.000 1.390 856 I HN 0.271 nan 8.210 nan 0.000 0.475 857 K N 5.765 125.867 120.400 -0.497 0.000 2.156 857 K HA 0.627 4.947 4.320 -0.000 0.000 0.254 857 K C -0.984 175.325 176.600 -0.485 0.000 0.950 857 K CA -0.801 55.118 56.287 -0.615 0.000 0.849 857 K CB 1.945 33.837 32.500 -1.014 0.000 1.100 857 K HN 0.656 nan 8.250 nan 0.000 0.434 858 H N -1.297 117.557 119.070 -0.359 0.000 3.008 858 H HA 0.316 4.872 4.556 -0.000 0.000 0.354 858 H C 0.459 175.821 175.328 0.057 0.000 1.252 858 H CA -0.987 54.991 56.048 -0.117 0.000 1.117 858 H CB 0.524 30.196 29.762 -0.151 0.000 1.857 858 H HN 0.269 nan 8.280 nan 0.000 0.547 859 I N 0.198 120.907 120.570 0.232 0.000 2.226 859 I HA -0.161 4.009 4.170 -0.000 0.000 0.245 859 I C 2.424 178.557 176.117 0.027 0.000 1.100 859 I CA 1.374 62.788 61.300 0.190 0.000 1.374 859 I CB -0.779 37.321 38.000 0.166 0.000 1.057 859 I HN 0.724 nan 8.210 nan 0.000 0.413 860 R N 1.828 122.308 120.500 -0.033 0.000 2.159 860 R HA -0.166 4.174 4.340 -0.000 0.000 0.237 860 R C 1.868 177.818 176.300 -0.582 0.000 1.131 860 R CA 1.387 57.297 56.100 -0.315 0.000 0.982 860 R CB -0.414 29.850 30.300 -0.061 0.000 0.868 860 R HN 0.426 nan 8.270 nan 0.000 0.453 861 E N -0.777 119.121 120.200 -0.504 0.000 2.478 861 E HA -0.074 4.276 4.350 -0.000 0.000 0.198 861 E C 0.851 177.266 176.600 -0.309 0.000 1.046 861 E CA 1.312 57.442 56.400 -0.451 0.000 0.870 861 E CB 0.158 29.530 29.700 -0.547 0.000 0.818 861 E HN 0.576 nan 8.360 nan 0.000 0.527 862 T N -1.660 112.740 114.554 -0.256 0.000 3.107 862 T HA 0.025 4.375 4.350 -0.000 0.000 0.249 862 T C 0.136 174.869 174.700 0.056 0.000 1.096 862 T CA -0.291 61.787 62.100 -0.037 0.000 1.012 862 T CB -0.305 68.633 68.868 0.116 0.000 0.977 862 T HN 0.205 nan 8.240 nan 0.000 0.527 863 Y N -1.444 118.856 120.300 -0.000 0.000 2.625 863 Y HA 0.738 5.287 4.550 -0.000 0.000 0.338 863 Y C -0.868 175.028 175.900 -0.006 0.000 1.123 863 Y CA -1.987 56.120 58.100 0.013 0.000 1.046 863 Y CB 1.432 39.909 38.460 0.028 0.000 1.299 863 Y HN -0.100 nan 8.280 nan 0.000 0.464 864 K N 2.231 122.750 120.400 0.199 0.000 2.307 864 K HA 0.308 4.628 4.320 -0.000 0.000 0.263 864 K C -1.000 175.669 176.600 0.115 0.000 0.973 864 K CA -0.492 55.833 56.287 0.062 0.000 0.846 864 K CB 1.086 33.592 32.500 0.010 0.000 1.100 864 K HN 0.834 nan 8.250 nan 0.000 0.438 865 E N 3.070 123.298 120.200 0.047 0.000 2.319 865 E HA 0.173 4.523 4.350 -0.000 0.000 0.268 865 E C -0.323 176.158 176.600 -0.199 0.000 1.050 865 E CA -0.518 55.899 56.400 0.028 0.000 0.878 865 E CB 1.192 30.922 29.700 0.049 0.000 1.066 865 E HN 0.527 nan 8.360 nan 0.000 0.406 866 H N 0.362 119.437 119.070 0.008 0.000 2.670 866 H HA 0.221 4.777 4.556 -0.000 0.000 0.361 866 H C 0.414 175.739 175.328 -0.004 0.000 1.169 866 H CA -0.671 55.367 56.048 -0.016 0.000 1.198 866 H CB 1.197 30.974 29.762 0.024 0.000 1.700 866 H HN 0.447 nan 8.280 nan 0.000 0.542 867 H N 0.000 119.157 119.070 0.145 0.000 2.539 867 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 867 H CA 0.000 56.104 56.048 0.093 0.000 1.023 867 H CB 0.000 29.809 29.762 0.079 0.000 1.292 867 H HN 0.000 nan 8.280 nan 0.000 0.496