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 2vmf_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 LKLILKDXSG 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 0.000 174.895 174.900 -0.008 0.000 0.946 27 G CA 0.000 45.087 45.100 -0.022 0.000 0.502 28 N N 1.338 120.035 118.700 -0.005 0.000 2.415 28 N HA 0.473 5.213 4.740 -0.000 0.000 0.250 28 N C -0.797 174.713 175.510 0.001 0.000 1.127 28 N CA -0.011 53.041 53.050 0.002 0.000 0.945 28 N CB 0.574 39.064 38.487 0.005 0.000 1.196 28 N HN 0.657 nan 8.380 nan 0.000 0.499 29 D N -1.517 118.888 120.400 0.008 0.000 2.798 29 D HA 0.226 4.866 4.640 -0.000 0.000 0.308 29 D C 0.624 176.941 176.300 0.028 0.000 1.187 29 D CA -0.647 53.360 54.000 0.012 0.000 1.033 29 D CB -0.103 40.700 40.800 0.005 0.000 1.445 29 D HN 0.170 nan 8.370 nan 0.000 0.550 30 T N -2.840 111.738 114.554 0.040 0.000 3.148 30 T HA 0.164 4.514 4.350 -0.000 0.000 0.253 30 T C 0.776 175.523 174.700 0.079 0.000 1.134 30 T CA 0.224 62.354 62.100 0.050 0.000 1.051 30 T CB -0.870 68.026 68.868 0.046 0.000 0.959 30 T HN 0.536 nan 8.240 nan 0.000 0.525 31 S N 0.566 116.324 115.700 0.096 0.000 2.593 31 S HA 0.283 4.753 4.470 -0.000 0.000 0.269 31 S C -0.218 174.463 174.600 0.134 0.000 1.334 31 S CA -0.852 57.437 58.200 0.148 0.000 1.015 31 S CB 1.103 64.394 63.200 0.152 0.000 0.912 31 S HN 0.602 nan 8.310 nan 0.000 0.541 32 E N 0.553 120.873 120.200 0.201 0.000 2.199 32 E HA 0.559 4.909 4.350 -0.000 0.000 0.269 32 E C -1.703 175.062 176.600 0.275 0.000 0.899 32 E CA -0.923 55.596 56.400 0.199 0.000 0.772 32 E CB 1.767 31.567 29.700 0.167 0.000 1.155 32 E HN 0.537 nan 8.360 nan 0.000 0.408 33 V N 5.403 125.423 119.914 0.177 0.000 2.495 33 V HA 0.367 4.487 4.120 -0.000 0.000 0.298 33 V C -0.130 176.047 176.094 0.138 0.000 1.031 33 V CA -0.689 61.688 62.300 0.129 0.000 0.871 33 V CB 1.670 33.523 31.823 0.049 0.000 0.988 33 V HN 0.780 nan 8.190 nan 0.000 0.432 34 M N 6.203 125.884 119.600 0.136 0.000 2.227 34 M HA 0.581 5.061 4.480 -0.000 0.000 0.335 34 M C -1.658 174.645 176.300 0.005 0.000 1.053 34 M CA -0.515 54.847 55.300 0.104 0.000 0.973 34 M CB 1.295 34.019 32.600 0.207 0.000 1.623 34 M HN 0.515 nan 8.290 nan 0.000 0.434 35 L N 6.038 127.272 121.223 0.018 0.000 2.290 35 L HA 0.312 4.652 4.340 -0.000 0.000 0.284 35 L C -0.507 176.382 176.870 0.031 0.000 1.078 35 L CA -0.352 54.496 54.840 0.013 0.000 0.815 35 L CB 0.993 43.073 42.059 0.035 0.000 1.162 35 L HN 0.766 nan 8.230 nan 0.000 0.435 36 L N 4.695 125.944 121.223 0.044 0.000 2.449 36 L HA 0.145 4.485 4.340 -0.000 0.000 0.255 36 L C 0.057 177.169 176.870 0.403 0.000 1.167 36 L CA -0.123 54.797 54.840 0.134 0.000 1.090 36 L CB -0.145 41.952 42.059 0.063 0.000 1.385 36 L HN 0.685 nan 8.230 nan 0.000 0.411 37 D N -1.349 119.230 120.400 0.300 0.000 2.503 37 D HA 0.054 4.694 4.640 -0.000 0.000 0.218 37 D C 0.548 177.056 176.300 0.347 0.000 1.183 37 D CA -0.035 54.150 54.000 0.308 0.000 0.827 37 D CB 0.522 41.416 40.800 0.157 0.000 1.034 37 D HN 0.322 nan 8.370 nan 0.000 0.510 38 T N -5.281 109.481 114.554 0.346 0.000 2.865 38 T HA 0.528 4.878 4.350 -0.000 0.000 0.294 38 T C 1.010 175.850 174.700 0.232 0.000 1.119 38 T CA -0.166 62.101 62.100 0.278 0.000 1.007 38 T CB 1.669 70.636 68.868 0.165 0.000 1.225 38 T HN 0.386 nan 8.240 nan 0.000 0.515 39 G N -0.341 108.578 108.800 0.199 0.000 2.184 39 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.264 39 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.264 39 G C -0.103 174.866 174.900 0.115 0.000 0.975 39 G CA 0.096 45.261 45.100 0.108 0.000 0.642 39 G HN 0.815 nan 8.290 nan 0.000 0.536 40 W N 0.774 122.188 121.300 0.191 0.000 2.202 40 W HA 0.648 5.308 4.660 -0.000 0.000 0.332 40 W C 0.812 177.509 176.519 0.296 0.000 1.263 40 W CA -0.214 57.283 57.345 0.254 0.000 1.223 40 W CB 0.639 30.285 29.460 0.309 0.000 1.128 40 W HN 0.169 nan 8.180 nan 0.000 0.573 41 E N 1.541 122.111 120.200 0.616 0.000 2.393 41 E HA 0.551 4.901 4.350 -0.000 0.000 0.273 41 E C -1.371 175.658 176.600 0.715 0.000 0.918 41 E CA -1.130 55.627 56.400 0.595 0.000 0.773 41 E CB 2.414 32.371 29.700 0.429 0.000 1.275 41 E HN 0.312 nan 8.360 nan 0.000 0.451 42 F N -0.905 119.212 119.950 0.278 0.000 2.613 42 F HA 0.824 5.351 4.527 -0.000 0.000 0.314 42 F C -0.923 174.663 175.800 -0.356 0.000 1.075 42 F CA -0.751 57.101 58.000 -0.245 0.000 0.945 42 F CB 2.108 40.594 39.000 -0.858 0.000 1.310 42 F HN 0.322 nan 8.300 nan 0.000 0.467 43 S N 1.501 116.669 115.700 -0.886 0.000 2.543 43 S HA 0.232 4.702 4.470 -0.000 0.000 0.271 43 S C -1.667 172.618 174.600 -0.526 0.000 1.148 43 S CA -0.696 56.843 58.200 -1.103 0.000 0.914 43 S CB 1.677 63.632 63.200 -2.074 0.000 1.096 43 S HN 1.047 nan 8.310 nan 0.000 0.471 44 Q N 3.056 122.575 119.800 -0.468 0.000 2.286 44 Q HA 0.275 4.615 4.340 -0.000 0.000 0.267 44 Q C -0.457 175.182 176.000 -0.603 0.000 1.028 44 Q CA 0.002 55.328 55.803 -0.796 0.000 0.901 44 Q CB 0.456 28.763 28.738 -0.720 0.000 1.183 44 Q HN 0.707 nan 8.270 nan 0.000 0.392 45 S N 2.627 117.975 115.700 -0.587 0.000 2.552 45 S HA 0.271 4.741 4.470 -0.000 0.000 0.289 45 S C 0.991 175.447 174.600 -0.240 0.000 1.304 45 S CA 0.531 58.527 58.200 -0.341 0.000 1.063 45 S CB 0.737 63.767 63.200 -0.283 0.000 0.848 45 S HN 1.008 nan 8.310 nan 0.000 0.499 46 G N 1.917 110.634 108.800 -0.138 0.000 2.234 46 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.235 46 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.235 46 G C 0.874 175.704 174.900 -0.117 0.000 0.997 46 G CA 0.719 45.760 45.100 -0.098 0.000 0.623 46 G HN 0.948 nan 8.290 nan 0.000 0.514 47 T N -1.582 112.864 114.554 -0.181 0.000 3.037 47 T HA 0.372 4.722 4.350 -0.000 0.000 0.251 47 T C 1.127 175.744 174.700 -0.139 0.000 1.079 47 T CA 1.194 63.192 62.100 -0.170 0.000 1.067 47 T CB -0.164 68.571 68.868 -0.221 0.000 0.948 47 T HN 0.902 nan 8.240 nan 0.000 0.496 48 E N 0.439 120.555 120.200 -0.139 0.000 2.805 48 E HA -0.247 4.103 4.350 -0.000 0.000 0.266 48 E C 0.029 176.600 176.600 -0.047 0.000 1.092 48 E CA 0.790 57.179 56.400 -0.019 0.000 0.781 48 E CB -1.467 28.274 29.700 0.068 0.000 1.379 48 E HN 0.742 nan 8.360 nan 0.000 0.433 49 K N 0.691 120.926 120.400 -0.275 0.000 2.235 49 K HA 0.435 4.755 4.320 -0.000 0.000 0.266 49 K C -1.173 175.107 176.600 -0.533 0.000 0.980 49 K CA -0.659 55.489 56.287 -0.232 0.000 0.849 49 K CB 0.913 33.304 32.500 -0.183 0.000 1.098 49 K HN 0.043 nan 8.250 nan 0.000 0.445 50 W N 4.379 125.592 121.300 -0.145 0.000 2.689 50 W HA 0.557 5.217 4.660 0.000 0.000 0.340 50 W C -0.433 175.970 176.519 -0.195 0.000 1.060 50 W CA -0.697 56.544 57.345 -0.174 0.000 1.218 50 W CB 1.865 31.284 29.460 -0.069 0.000 1.410 50 W HN 0.386 nan 8.180 nan 0.000 0.528 51 M N 2.393 121.991 119.600 -0.004 0.000 2.569 51 M HA 0.357 4.837 4.480 -0.000 0.000 0.279 51 M C -2.567 173.925 176.300 0.319 0.000 1.253 51 M CA -1.897 53.404 55.300 0.003 0.000 0.867 51 M CB 2.642 35.048 32.600 -0.322 0.000 1.727 51 M HN -0.016 nan 8.290 nan 0.000 0.467 52 P HA 0.223 nan 4.420 nan 0.000 0.266 52 P C -1.516 176.173 177.300 0.648 0.000 1.195 52 P CA -0.023 63.365 63.100 0.481 0.000 0.768 52 P CB 0.485 32.428 31.700 0.405 0.000 0.838 53 A N 2.420 125.559 122.820 0.532 0.000 2.423 53 A HA 0.760 5.080 4.320 -0.000 0.000 0.304 53 A C -0.630 177.119 177.584 0.275 0.000 1.104 53 A CA -0.390 51.885 52.037 0.395 0.000 0.757 53 A CB 1.060 20.400 19.000 0.566 0.000 1.313 53 A HN 0.407 nan 8.150 nan 0.000 0.423 54 T N 0.926 115.547 114.554 0.111 0.000 2.797 54 T HA 0.589 4.939 4.350 -0.000 0.000 0.279 54 T C -0.850 173.811 174.700 -0.066 0.000 0.991 54 T CA -0.301 61.834 62.100 0.057 0.000 0.979 54 T CB 1.168 70.050 68.868 0.024 0.000 0.943 54 T HN 0.558 nan 8.240 nan 0.000 0.444 55 V N 5.283 125.129 119.914 -0.113 0.000 2.577 55 V HA 0.407 4.527 4.120 -0.000 0.000 0.303 55 V C -2.304 173.711 176.094 -0.131 0.000 1.042 55 V CA -2.036 60.079 62.300 -0.307 0.000 0.872 55 V CB 1.788 33.056 31.823 -0.925 0.000 0.998 55 V HN 0.688 nan 8.190 nan 0.000 0.423 56 P HA 0.527 nan 4.420 nan 0.000 0.269 56 P C 0.167 177.397 177.300 -0.117 0.000 1.215 56 P CA 0.369 63.387 63.100 -0.136 0.000 0.780 56 P CB 0.791 32.450 31.700 -0.069 0.000 0.898 57 G N -0.403 108.309 108.800 -0.148 0.000 2.428 57 G HA2 0.588 4.548 3.960 -0.000 0.000 0.304 57 G HA3 0.588 4.548 3.960 -0.000 0.000 0.304 57 G C -1.495 173.286 174.900 -0.198 0.000 1.303 57 G CA -0.392 44.620 45.100 -0.148 0.000 0.825 57 G HN 0.639 nan 8.290 nan 0.000 0.484 58 T N -2.688 111.735 114.554 -0.217 0.000 2.906 58 T HA 0.575 4.925 4.350 -0.000 0.000 0.295 58 T C 1.087 175.582 174.700 -0.342 0.000 1.075 58 T CA 0.038 61.978 62.100 -0.266 0.000 1.005 58 T CB 1.568 70.330 68.868 -0.177 0.000 1.136 58 T HN 0.755 nan 8.240 nan 0.000 0.498 59 V N 1.033 120.691 119.914 -0.427 0.000 2.255 59 V HA -0.211 3.909 4.120 -0.000 0.000 0.247 59 V C 2.492 178.189 176.094 -0.661 0.000 1.051 59 V CA 2.226 64.128 62.300 -0.663 0.000 1.018 59 V CB -1.222 29.971 31.823 -1.051 0.000 0.641 59 V HN 0.987 nan 8.190 nan 0.000 0.445 60 H N -0.596 118.160 119.070 -0.524 0.000 2.352 60 H HA -0.196 4.360 4.556 -0.000 0.000 0.299 60 H C 2.291 177.429 175.328 -0.316 0.000 1.097 60 H CA 1.967 57.768 56.048 -0.411 0.000 1.311 60 H CB -0.147 29.404 29.762 -0.350 0.000 1.377 60 H HN 0.407 nan 8.280 nan 0.000 0.504 61 Q N 0.563 120.260 119.800 -0.171 0.000 2.172 61 Q HA -0.109 4.231 4.340 -0.000 0.000 0.200 61 Q C 1.318 177.189 176.000 -0.215 0.000 0.964 61 Q CA 1.414 57.119 55.803 -0.162 0.000 0.855 61 Q CB 0.066 28.731 28.738 -0.123 0.000 0.918 61 Q HN 0.402 nan 8.270 nan 0.000 0.444 62 D N -0.133 120.055 120.400 -0.353 0.000 2.117 62 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 62 D C 1.830 178.003 176.300 -0.211 0.000 0.987 62 D CA 1.036 54.752 54.000 -0.474 0.000 0.829 62 D CB -0.039 40.096 40.800 -1.107 0.000 0.961 62 D HN 0.318 nan 8.370 nan 0.000 0.460 63 L N 0.532 121.650 121.223 -0.175 0.000 2.017 63 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 63 L C 2.588 179.505 176.870 0.078 0.000 1.073 63 L CA 0.717 55.617 54.840 0.100 0.000 0.745 63 L CB -0.347 41.695 42.059 -0.028 0.000 0.894 63 L HN -0.008 nan 8.230 nan 0.000 0.432 64 I N -0.442 120.112 120.570 -0.027 0.000 2.151 64 I HA -0.336 3.834 4.170 -0.000 0.000 0.243 64 I C 2.481 178.577 176.117 -0.033 0.000 1.080 64 I CA 1.523 62.810 61.300 -0.020 0.000 1.339 64 I CB -0.388 37.575 38.000 -0.061 0.000 1.039 64 I HN 0.205 nan 8.210 nan 0.000 0.409 65 S N -0.778 114.851 115.700 -0.118 0.000 2.469 65 S HA -0.137 4.333 4.470 -0.000 0.000 0.238 65 S C 1.322 175.749 174.600 -0.288 0.000 0.998 65 S CA 0.942 59.010 58.200 -0.220 0.000 0.957 65 S CB -0.360 62.643 63.200 -0.328 0.000 0.764 65 S HN 0.465 nan 8.310 nan 0.000 0.514 66 H N 1.416 120.550 119.070 0.107 0.000 2.528 66 H HA 0.167 4.722 4.556 -0.000 0.000 0.282 66 H C 0.125 175.519 175.328 0.109 0.000 1.097 66 H CA 0.076 56.200 56.048 0.127 0.000 1.121 66 H CB -0.261 29.610 29.762 0.183 0.000 1.590 66 H HN 0.552 nan 8.280 nan 0.000 0.553 67 E N 0.799 121.091 120.200 0.155 0.000 2.238 67 E HA -0.231 4.119 4.350 -0.000 0.000 0.219 67 E C 0.140 176.838 176.600 0.163 0.000 1.275 67 E CA 0.333 56.811 56.400 0.131 0.000 0.714 67 E CB -2.116 27.644 29.700 0.100 0.000 1.154 67 E HN 0.511 nan 8.360 nan 0.000 0.363 68 L N -0.639 120.710 121.223 0.210 0.000 2.640 68 L HA 0.313 4.653 4.340 -0.000 0.000 0.230 68 L C 0.919 177.966 176.870 0.295 0.000 1.123 68 L CA 0.197 55.188 54.840 0.252 0.000 0.900 68 L CB 0.198 42.446 42.059 0.314 0.000 1.146 68 L HN 0.166 nan 8.230 nan 0.000 0.484 69 L N 0.211 121.557 121.223 0.206 0.000 2.388 69 L HA 0.537 4.877 4.340 -0.000 0.000 0.264 69 L C -2.283 174.665 176.870 0.131 0.000 0.998 69 L CA -1.813 53.140 54.840 0.188 0.000 0.817 69 L CB 2.587 44.702 42.059 0.093 0.000 1.338 69 L HN -0.210 nan 8.230 nan 0.000 0.414 70 P HA 0.059 nan 4.420 nan 0.000 0.277 70 P C -0.873 176.479 177.300 0.087 0.000 1.271 70 P CA -0.579 62.586 63.100 0.110 0.000 0.795 70 P CB 0.430 32.211 31.700 0.135 0.000 1.101 71 N N 1.866 120.618 118.700 0.088 0.000 2.394 71 N HA -0.043 4.697 4.740 -0.000 0.000 0.277 71 N C -1.299 174.290 175.510 0.132 0.000 1.346 71 N CA -1.232 51.870 53.050 0.087 0.000 0.910 71 N CB -0.183 38.398 38.487 0.157 0.000 1.201 71 N HN 0.196 nan 8.380 nan 0.000 0.488 72 P HA -0.081 nan 4.420 nan 0.000 0.223 72 P C 0.680 178.181 177.300 0.335 0.000 1.151 72 P CA 0.929 64.065 63.100 0.060 0.000 0.787 72 P CB 0.014 31.641 31.700 -0.121 0.000 0.788 73 F N -2.015 118.103 119.950 0.280 0.000 2.743 73 F HA 0.141 4.668 4.527 -0.000 0.000 0.297 73 F C 1.328 177.462 175.800 0.557 0.000 1.131 73 F CA -1.227 57.040 58.000 0.446 0.000 1.426 73 F CB -1.621 37.596 39.000 0.360 0.000 1.116 73 F HN -0.120 nan 8.300 nan 0.000 0.583 74 Y N 0.803 121.421 120.300 0.529 0.000 2.359 74 Y HA 0.420 4.970 4.550 -0.000 0.000 0.330 74 Y C 1.478 177.654 175.900 0.460 0.000 1.143 74 Y CA 0.232 58.605 58.100 0.455 0.000 1.318 74 Y CB 0.460 39.102 38.460 0.303 0.000 1.234 74 Y HN 0.289 nan 8.280 nan 0.000 0.522 75 G N 4.836 113.543 108.800 -0.155 0.000 2.693 75 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.354 75 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.354 75 G C 0.721 175.836 174.900 0.359 0.000 1.207 75 G CA 1.273 46.440 45.100 0.111 0.000 0.958 75 G HN 0.610 nan 8.290 nan 0.000 0.560 76 M N 1.921 121.701 119.600 0.298 0.000 2.475 76 M HA 0.202 4.682 4.480 -0.000 0.000 0.261 76 M C 1.532 177.960 176.300 0.214 0.000 1.177 76 M CA -0.009 55.430 55.300 0.231 0.000 0.979 76 M CB -0.191 32.516 32.600 0.179 0.000 1.482 76 M HN 0.361 nan 8.290 nan 0.000 0.484 77 N N 1.315 120.174 118.700 0.266 0.000 2.520 77 N HA -0.152 4.588 4.740 -0.000 0.000 0.185 77 N C 1.540 177.149 175.510 0.164 0.000 1.068 77 N CA 0.687 53.876 53.050 0.231 0.000 0.911 77 N CB -0.075 38.579 38.487 0.279 0.000 0.961 77 N HN 0.541 nan 8.380 nan 0.000 0.446 78 E N 0.881 121.156 120.200 0.126 0.000 2.077 78 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 78 E C 1.756 178.388 176.600 0.054 0.000 0.989 78 E CA 0.971 57.396 56.400 0.042 0.000 0.800 78 E CB 0.157 29.839 29.700 -0.029 0.000 0.746 78 E HN 0.033 nan 8.360 nan 0.000 0.452 79 K N 0.650 121.099 120.400 0.081 0.000 2.211 79 K HA -0.053 4.267 4.320 -0.000 0.000 0.203 79 K C 1.739 178.419 176.600 0.134 0.000 1.050 79 K CA 1.340 57.680 56.287 0.089 0.000 0.945 79 K CB -0.193 32.358 32.500 0.084 0.000 0.732 79 K HN 0.235 nan 8.250 nan 0.000 0.451 80 K N 0.346 120.841 120.400 0.158 0.000 2.486 80 K HA 0.125 4.445 4.320 -0.000 0.000 0.194 80 K C 1.744 178.519 176.600 0.291 0.000 1.033 80 K CA 1.251 57.671 56.287 0.223 0.000 1.004 80 K CB -0.064 32.556 32.500 0.200 0.000 0.798 80 K HN 0.589 nan 8.250 nan 0.000 0.495 81 I N -2.984 117.679 120.570 0.154 0.000 4.082 81 I HA 0.072 4.242 4.170 -0.000 0.000 0.337 81 I C 1.170 177.203 176.117 -0.140 0.000 1.352 81 I CA -0.165 61.134 61.300 -0.002 0.000 1.097 81 I CB 0.378 38.387 38.000 0.015 0.000 1.048 81 I HN -0.167 nan 8.210 nan 0.000 0.393 82 Q N 1.746 121.560 119.800 0.024 0.000 2.297 82 Q HA -0.099 4.241 4.340 -0.000 0.000 0.204 82 Q C 1.864 177.904 176.000 0.066 0.000 0.962 82 Q CA 1.596 57.422 55.803 0.039 0.000 0.879 82 Q CB -0.398 28.394 28.738 0.090 0.000 0.947 82 Q HN 0.915 nan 8.270 nan 0.000 0.462 83 W N -0.080 121.280 121.300 0.100 0.000 2.374 83 W HA -0.096 4.564 4.660 0.000 0.000 0.288 83 W C 1.339 177.943 176.519 0.143 0.000 1.218 83 W CA 0.600 58.006 57.345 0.102 0.000 1.245 83 W CB -1.055 28.456 29.460 0.084 0.000 1.126 83 W HN -0.135 nan 8.180 nan 0.000 0.545 84 V N 2.781 122.358 119.914 -0.561 0.000 2.469 84 V HA -0.342 3.777 4.120 -0.000 0.000 0.251 84 V C 2.665 178.810 176.094 0.085 0.000 1.064 84 V CA 2.675 64.711 62.300 -0.441 0.000 1.066 84 V CB -1.139 30.055 31.823 -1.047 0.000 0.667 84 V HN 0.367 nan 8.190 nan 0.000 0.461 85 E N 0.010 120.240 120.200 0.050 0.000 2.427 85 E HA -0.159 4.191 4.350 -0.000 0.000 0.196 85 E C 1.458 178.152 176.600 0.157 0.000 1.028 85 E CA 0.966 57.430 56.400 0.106 0.000 0.864 85 E CB -0.256 29.468 29.700 0.040 0.000 0.813 85 E HN 0.601 nan 8.360 nan 0.000 0.514 86 N N 0.690 119.498 118.700 0.180 0.000 2.373 86 N HA 0.023 4.763 4.740 -0.000 0.000 0.181 86 N C -0.083 175.505 175.510 0.129 0.000 1.082 86 N CA 0.396 53.543 53.050 0.162 0.000 0.885 86 N CB 0.330 38.917 38.487 0.166 0.000 0.977 86 N HN 0.196 nan 8.380 nan 0.000 0.462 87 E N 1.069 121.349 120.200 0.132 0.000 2.283 87 E HA 0.209 4.559 4.350 -0.000 0.000 0.267 87 E C -0.491 175.980 176.600 -0.214 0.000 1.045 87 E CA -0.277 56.046 56.400 -0.129 0.000 0.884 87 E CB 0.958 30.421 29.700 -0.394 0.000 1.106 87 E HN 0.016 nan 8.360 nan 0.000 0.408 88 D N 0.329 120.508 120.400 -0.369 0.000 2.229 88 D HA 0.389 5.029 4.640 -0.000 0.000 0.249 88 D C -0.642 175.236 176.300 -0.704 0.000 1.027 88 D CA -0.108 53.701 54.000 -0.319 0.000 0.923 88 D CB 0.624 41.295 40.800 -0.214 0.000 1.174 88 D HN 0.204 nan 8.370 nan 0.000 0.443 89 W N 0.411 121.623 121.300 -0.146 0.000 2.839 89 W HA 0.363 5.023 4.660 -0.000 0.000 0.334 89 W C -0.069 176.456 176.519 0.011 0.000 1.064 89 W CA -0.730 56.591 57.345 -0.040 0.000 1.236 89 W CB 1.418 30.951 29.460 0.122 0.000 1.405 89 W HN 0.064 nan 8.180 nan 0.000 0.478 90 E N 1.792 122.076 120.200 0.140 0.000 2.199 90 E HA 0.479 4.829 4.350 -0.000 0.000 0.269 90 E C -1.513 175.317 176.600 0.383 0.000 0.899 90 E CA -1.065 55.506 56.400 0.285 0.000 0.772 90 E CB 2.165 32.004 29.700 0.230 0.000 1.155 90 E HN 0.350 nan 8.360 nan 0.000 0.408 91 Y N 1.105 121.825 120.300 0.700 0.000 2.485 91 Y HA 0.482 5.032 4.550 -0.000 0.000 0.345 91 Y C -0.021 176.267 175.900 0.647 0.000 0.998 91 Y CA -0.937 57.647 58.100 0.806 0.000 1.059 91 Y CB 1.896 40.837 38.460 0.800 0.000 1.234 91 Y HN 0.447 nan 8.280 nan 0.000 0.461 92 R N 0.321 121.156 120.500 0.558 0.000 2.668 92 R HA 0.853 5.193 4.340 -0.000 0.000 0.272 92 R C -1.692 174.470 176.300 -0.229 0.000 1.019 92 R CA -0.822 55.175 56.100 -0.172 0.000 0.894 92 R CB 2.297 31.905 30.300 -1.153 0.000 1.228 92 R HN 0.608 nan 8.270 nan 0.000 0.460 93 T N 0.139 114.358 114.554 -0.558 0.000 2.843 93 T HA 0.553 4.903 4.350 -0.000 0.000 0.302 93 T C -1.330 173.213 174.700 -0.262 0.000 1.232 93 T CA -0.402 61.349 62.100 -0.583 0.000 1.009 93 T CB 1.738 69.808 68.868 -1.330 0.000 1.254 93 T HN 0.833 nan 8.240 nan 0.000 0.504 94 S N 1.824 117.435 115.700 -0.147 0.000 2.600 94 S HA 0.950 5.420 4.470 -0.000 0.000 0.300 94 S C -1.141 173.457 174.600 -0.003 0.000 1.087 94 S CA -0.745 57.380 58.200 -0.126 0.000 0.965 94 S CB 1.383 64.516 63.200 -0.112 0.000 1.089 94 S HN 0.944 nan 8.310 nan 0.000 0.496 95 F N -0.305 119.553 119.950 -0.153 0.000 2.678 95 F HA 0.681 5.208 4.527 -0.000 0.000 0.308 95 F C -1.479 174.276 175.800 -0.075 0.000 1.118 95 F CA -1.497 56.449 58.000 -0.089 0.000 0.959 95 F CB 0.796 39.762 39.000 -0.057 0.000 1.305 95 F HN 0.420 nan 8.300 nan 0.000 0.443 96 I N 3.505 124.145 120.570 0.116 0.000 2.365 96 I HA 0.450 4.620 4.170 -0.000 0.000 0.291 96 I C -0.273 175.924 176.117 0.135 0.000 1.004 96 I CA -0.876 60.445 61.300 0.035 0.000 1.311 96 I CB 1.321 39.329 38.000 0.013 0.000 1.401 96 I HN 0.511 nan 8.210 nan 0.000 0.491 97 V N 5.540 125.497 119.914 0.071 0.000 2.459 97 V HA 0.357 4.477 4.120 -0.000 0.000 0.295 97 V C 0.464 176.555 176.094 -0.005 0.000 1.029 97 V CA -0.613 61.741 62.300 0.090 0.000 0.874 97 V CB 1.779 33.716 31.823 0.191 0.000 0.985 97 V HN 0.933 nan 8.190 nan 0.000 0.438 98 S N 2.412 118.074 115.700 -0.064 0.000 2.652 98 S HA 0.307 4.777 4.470 -0.000 0.000 0.270 98 S C 1.005 175.570 174.600 -0.059 0.000 1.243 98 S CA -0.160 57.999 58.200 -0.069 0.000 0.999 98 S CB 1.443 64.584 63.200 -0.098 0.000 0.973 98 S HN 0.823 nan 8.310 nan 0.000 0.544 99 E N 0.945 121.118 120.200 -0.044 0.000 2.097 99 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 99 E C 1.801 178.376 176.600 -0.042 0.000 1.000 99 E CA 1.792 58.172 56.400 -0.033 0.000 0.804 99 E CB -0.134 29.550 29.700 -0.027 0.000 0.740 99 E HN 0.829 nan 8.360 nan 0.000 0.454 100 E N 0.403 120.565 120.200 -0.063 0.000 2.107 100 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 100 E C 2.022 178.561 176.600 -0.101 0.000 0.982 100 E CA 0.877 57.235 56.400 -0.070 0.000 0.809 100 E CB -0.494 29.164 29.700 -0.070 0.000 0.756 100 E HN 0.431 nan 8.360 nan 0.000 0.459 101 Q N 0.637 120.325 119.800 -0.185 0.000 2.135 101 Q HA -0.017 4.323 4.340 -0.000 0.000 0.204 101 Q C 2.436 178.417 176.000 -0.031 0.000 0.981 101 Q CA 1.071 56.691 55.803 -0.305 0.000 0.856 101 Q CB -0.168 28.129 28.738 -0.734 0.000 0.902 101 Q HN 0.260 nan 8.270 nan 0.000 0.425 102 L N 0.717 121.940 121.223 -0.001 0.000 2.362 102 L HA -0.126 4.214 4.340 -0.000 0.000 0.219 102 L C 1.252 178.139 176.870 0.028 0.000 1.134 102 L CA 0.385 55.256 54.840 0.051 0.000 0.807 102 L CB -0.086 41.994 42.059 0.035 0.000 0.927 102 L HN 0.255 nan 8.230 nan 0.000 0.447 103 N N -0.627 118.074 118.700 0.002 0.000 2.336 103 N HA 0.025 4.765 4.740 -0.000 0.000 0.189 103 N C 0.286 175.789 175.510 -0.012 0.000 1.113 103 N CA 0.124 53.171 53.050 -0.006 0.000 0.858 103 N CB 0.197 38.676 38.487 -0.014 0.000 0.970 103 N HN 0.105 nan 8.380 nan 0.000 0.471 104 R N 1.417 121.918 120.500 0.001 0.000 2.734 104 R HA -0.002 4.338 4.340 -0.000 0.000 0.266 104 R C 0.809 177.057 176.300 -0.086 0.000 1.044 104 R CA 0.015 56.103 56.100 -0.021 0.000 1.128 104 R CB 0.269 30.594 30.300 0.041 0.000 1.010 104 R HN 0.086 nan 8.270 nan 0.000 0.461 105 D N 0.352 120.663 120.400 -0.148 0.000 2.149 105 D HA -0.054 4.586 4.640 -0.000 0.000 0.198 105 D C 0.887 177.006 176.300 -0.301 0.000 0.990 105 D CA 1.578 55.469 54.000 -0.182 0.000 0.839 105 D CB 0.106 40.814 40.800 -0.153 0.000 0.948 105 D HN 0.643 nan 8.370 nan 0.000 0.460 106 G N -0.581 107.836 108.800 -0.638 0.000 2.620 106 G HA2 0.628 4.588 3.960 -0.000 0.000 0.301 106 G HA3 0.628 4.588 3.960 -0.000 0.000 0.301 106 G C -1.133 173.430 174.900 -0.561 0.000 1.347 106 G CA -0.613 44.029 45.100 -0.763 0.000 0.971 106 G HN 0.018 nan 8.290 nan 0.000 0.488 107 I N 0.783 121.252 120.570 -0.169 0.000 2.478 107 I HA 0.347 4.517 4.170 -0.000 0.000 0.287 107 I C -0.598 175.501 176.117 -0.029 0.000 1.042 107 I CA -0.622 60.608 61.300 -0.116 0.000 1.067 107 I CB 2.336 40.260 38.000 -0.128 0.000 1.233 107 I HN 0.304 nan 8.210 nan 0.000 0.431 108 Q N 4.769 124.547 119.800 -0.037 0.000 2.312 108 Q HA 0.593 4.933 4.340 -0.000 0.000 0.263 108 Q C -1.256 174.661 176.000 -0.138 0.000 0.995 108 Q CA -0.942 54.845 55.803 -0.027 0.000 0.853 108 Q CB 3.335 32.079 28.738 0.010 0.000 1.300 108 Q HN 0.449 nan 8.270 nan 0.000 0.448 109 L N 3.940 125.104 121.223 -0.099 0.000 2.265 109 L HA 0.515 4.855 4.340 -0.000 0.000 0.289 109 L C -1.505 175.247 176.870 -0.197 0.000 1.033 109 L CA -0.066 54.663 54.840 -0.186 0.000 0.814 109 L CB 0.805 42.800 42.059 -0.108 0.000 1.203 109 L HN 0.549 nan 8.230 nan 0.000 0.423 110 I N 5.575 125.966 120.570 -0.298 0.000 2.378 110 I HA 0.348 4.518 4.170 -0.000 0.000 0.291 110 I C -0.978 174.936 176.117 -0.339 0.000 0.992 110 I CA -0.173 61.013 61.300 -0.190 0.000 1.154 110 I CB 1.170 39.107 38.000 -0.105 0.000 1.315 110 I HN 0.397 nan 8.210 nan 0.000 0.448 111 F N 4.730 124.732 119.950 0.086 0.000 2.361 111 F HA 0.342 4.869 4.527 0.000 0.000 0.364 111 F C 1.333 177.154 175.800 0.035 0.000 1.117 111 F CA -0.428 57.628 58.000 0.094 0.000 1.071 111 F CB 1.245 40.355 39.000 0.184 0.000 1.188 111 F HN 0.520 nan 8.300 nan 0.000 0.464 112 E N 2.052 122.309 120.200 0.095 0.000 2.285 112 E HA 0.172 4.522 4.350 -0.000 0.000 0.194 112 E C 0.730 177.255 176.600 -0.124 0.000 0.997 112 E CA 0.220 56.605 56.400 -0.024 0.000 0.845 112 E CB 0.383 30.039 29.700 -0.074 0.000 0.782 112 E HN 0.727 nan 8.360 nan 0.000 0.491 113 G N 0.661 109.404 108.800 -0.094 0.000 2.715 113 G HA2 0.458 4.418 3.960 -0.000 0.000 0.297 113 G HA3 0.458 4.418 3.960 -0.000 0.000 0.297 113 G C -1.478 173.603 174.900 0.301 0.000 1.386 113 G CA -0.765 44.314 45.100 -0.035 0.000 1.157 113 G HN -0.061 nan 8.290 nan 0.000 0.585 114 L N 2.033 123.535 121.223 0.466 0.000 2.313 114 L HA 0.508 4.848 4.340 -0.000 0.000 0.283 114 L C -0.968 176.128 176.870 0.376 0.000 1.013 114 L CA -0.904 54.193 54.840 0.428 0.000 0.816 114 L CB 2.310 44.478 42.059 0.182 0.000 1.236 114 L HN 0.471 nan 8.230 nan 0.000 0.419 115 D N 1.509 122.090 120.400 0.301 0.000 2.460 115 D HA 0.348 4.988 4.640 -0.000 0.000 0.232 115 D C 0.074 176.418 176.300 0.074 0.000 1.079 115 D CA -0.164 53.814 54.000 -0.036 0.000 0.864 115 D CB 1.565 42.171 40.800 -0.324 0.000 1.048 115 D HN 0.496 nan 8.370 nan 0.000 0.523 116 T N 2.302 116.943 114.554 0.146 0.000 3.232 116 T HA 0.069 4.419 4.350 -0.000 0.000 0.259 116 T C -0.018 174.606 174.700 -0.127 0.000 0.987 116 T CA 0.176 62.217 62.100 -0.097 0.000 1.096 116 T CB -0.008 68.636 68.868 -0.373 0.000 1.131 116 T HN 0.254 nan 8.240 nan 0.000 0.445 117 Y N 2.721 123.170 120.300 0.249 0.000 2.691 117 Y HA 0.684 5.234 4.550 0.000 0.000 0.338 117 Y C 0.247 176.307 175.900 0.267 0.000 1.148 117 Y CA -1.239 56.990 58.100 0.215 0.000 1.430 117 Y CB -0.050 38.542 38.460 0.221 0.000 1.303 117 Y HN 0.177 nan 8.280 nan 0.000 0.499 118 A N 2.141 125.034 122.820 0.121 0.000 2.303 118 A HA 0.545 4.865 4.320 -0.000 0.000 0.320 118 A C -0.809 176.684 177.584 -0.151 0.000 1.192 118 A CA -0.858 51.057 52.037 -0.204 0.000 0.821 118 A CB 0.495 19.105 19.000 -0.650 0.000 1.188 118 A HN 0.442 nan 8.150 nan 0.000 0.492 119 D N 2.172 122.548 120.400 -0.040 0.000 2.317 119 D HA 0.390 5.030 4.640 -0.000 0.000 0.234 119 D C -0.591 175.525 176.300 -0.307 0.000 1.112 119 D CA 0.152 54.063 54.000 -0.148 0.000 0.840 119 D CB 1.731 42.566 40.800 0.059 0.000 1.078 119 D HN 0.152 nan 8.370 nan 0.000 0.486 120 V N 4.037 123.682 119.914 -0.449 0.000 2.350 120 V HA 0.252 4.372 4.120 -0.000 0.000 0.276 120 V C -0.723 175.191 176.094 -0.300 0.000 1.028 120 V CA -0.608 61.524 62.300 -0.280 0.000 0.860 120 V CB 0.244 31.888 31.823 -0.298 0.000 0.990 120 V HN 0.351 nan 8.190 nan 0.000 0.453 121 Y N 5.166 125.564 120.300 0.164 0.000 2.364 121 Y HA 0.706 5.256 4.550 -0.000 0.000 0.340 121 Y C -0.299 175.734 175.900 0.221 0.000 0.975 121 Y CA -0.901 57.300 58.100 0.168 0.000 1.089 121 Y CB 1.933 40.490 38.460 0.161 0.000 1.192 121 Y HN 0.511 nan 8.280 nan 0.000 0.454 122 L N 4.777 126.191 121.223 0.318 0.000 2.372 122 L HA 0.529 4.869 4.340 -0.000 0.000 0.274 122 L C -0.522 176.470 176.870 0.203 0.000 0.988 122 L CA -0.545 54.460 54.840 0.275 0.000 0.833 122 L CB 0.891 43.103 42.059 0.254 0.000 1.236 122 L HN 0.733 nan 8.230 nan 0.000 0.410 123 N N 4.207 123.017 118.700 0.184 0.000 2.735 123 N HA -0.196 4.544 4.740 -0.000 0.000 0.248 123 N C 0.930 176.503 175.510 0.104 0.000 1.083 123 N CA 1.432 54.556 53.050 0.124 0.000 0.703 123 N CB -1.304 37.228 38.487 0.076 0.000 1.005 123 N HN 1.282 nan 8.380 nan 0.000 0.550 124 G N -1.941 106.928 108.800 0.115 0.000 2.176 124 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.253 124 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.253 124 G C -0.010 174.973 174.900 0.138 0.000 0.979 124 G CA 0.591 45.743 45.100 0.085 0.000 0.641 124 G HN 0.968 nan 8.290 nan 0.000 0.530 125 S N -0.033 115.769 115.700 0.170 0.000 2.442 125 S HA 0.650 5.120 4.470 -0.000 0.000 0.297 125 S C 0.038 174.747 174.600 0.182 0.000 1.131 125 S CA -0.597 57.695 58.200 0.153 0.000 1.092 125 S CB 1.089 64.355 63.200 0.109 0.000 0.998 125 S HN 1.225 nan 8.310 nan 0.000 0.478 126 L N 7.137 128.437 121.223 0.128 0.000 2.325 126 L HA 0.373 4.713 4.340 -0.000 0.000 0.284 126 L C 0.471 177.290 176.870 -0.084 0.000 1.089 126 L CA 0.370 55.150 54.840 -0.100 0.000 0.836 126 L CB 0.006 42.002 42.059 -0.105 0.000 1.184 126 L HN 0.855 nan 8.230 nan 0.000 0.444 127 L N 4.961 126.123 121.223 -0.102 0.000 2.209 127 L HA 0.193 4.533 4.340 -0.000 0.000 0.207 127 L C -0.053 176.765 176.870 -0.085 0.000 1.094 127 L CA 0.273 55.090 54.840 -0.038 0.000 0.790 127 L CB -0.075 42.009 42.059 0.041 0.000 0.932 127 L HN 0.580 nan 8.230 nan 0.000 0.447 128 L N -0.438 120.676 121.223 -0.181 0.000 2.666 128 L HA 0.306 4.646 4.340 -0.000 0.000 0.259 128 L C -1.434 175.273 176.870 -0.272 0.000 0.919 128 L CA -0.430 54.273 54.840 -0.230 0.000 0.927 128 L CB 1.629 43.494 42.059 -0.322 0.000 1.423 128 L HN -0.112 nan 8.230 nan 0.000 0.426 129 K N 4.485 124.764 120.400 -0.202 0.000 2.300 129 K HA 0.748 5.068 4.320 -0.000 0.000 0.264 129 K C -0.190 176.308 176.600 -0.171 0.000 1.083 129 K CA -0.324 55.870 56.287 -0.156 0.000 0.958 129 K CB 1.294 33.752 32.500 -0.070 0.000 1.318 129 K HN 0.700 nan 8.250 nan 0.000 0.448 130 A N 2.552 125.207 122.820 -0.275 0.000 2.386 130 A HA 0.153 4.473 4.320 -0.000 0.000 0.248 130 A C 0.237 177.789 177.584 -0.054 0.000 1.082 130 A CA -0.127 51.721 52.037 -0.314 0.000 0.789 130 A CB 0.203 18.921 19.000 -0.472 0.000 1.025 130 A HN 0.847 nan 8.150 nan 0.000 0.490 131 D N -0.337 120.079 120.400 0.027 0.000 2.704 131 D HA 0.078 4.718 4.640 -0.000 0.000 0.291 131 D C -0.752 175.479 176.300 -0.115 0.000 1.610 131 D CA -0.271 53.689 54.000 -0.067 0.000 0.807 131 D CB -0.438 40.434 40.800 0.121 0.000 1.233 131 D HN 0.269 nan 8.370 nan 0.000 0.445 132 N N 1.123 119.806 118.700 -0.027 0.000 2.549 132 N HA 0.149 4.889 4.740 -0.000 0.000 0.290 132 N C 0.275 175.732 175.510 -0.089 0.000 1.122 132 N CA -0.281 52.727 53.050 -0.071 0.000 0.885 132 N CB 1.700 40.191 38.487 0.006 0.000 1.455 132 N HN 0.046 nan 8.380 nan 0.000 0.521 133 M N 2.608 122.003 119.600 -0.342 0.000 2.358 133 M HA -0.006 4.474 4.480 -0.000 0.000 0.264 133 M C -0.158 176.179 176.300 0.062 0.000 1.064 133 M CA 1.704 56.819 55.300 -0.308 0.000 1.093 133 M CB 0.029 32.128 32.600 -0.836 0.000 1.401 133 M HN 0.356 nan 8.290 nan 0.000 0.440 134 F N -0.659 119.418 119.950 0.212 0.000 2.727 134 F HA 0.292 4.819 4.527 -0.000 0.000 0.302 134 F C 0.201 176.011 175.800 0.017 0.000 1.097 134 F CA -0.401 57.768 58.000 0.283 0.000 1.330 134 F CB -0.289 38.916 39.000 0.340 0.000 1.084 134 F HN -0.230 nan 8.300 nan 0.000 0.578 135 V N -0.122 119.722 119.914 -0.117 0.000 2.459 135 V HA 0.694 4.814 4.120 -0.000 0.000 0.295 135 V C 0.547 175.994 176.094 -1.078 0.000 1.029 135 V CA -1.071 60.779 62.300 -0.750 0.000 0.874 135 V CB 1.357 32.793 31.823 -0.645 0.000 0.985 135 V HN 0.184 nan 8.190 nan 0.000 0.438 136 G N 3.241 110.973 108.800 -1.780 0.000 2.395 136 G HA2 0.529 4.489 3.960 -0.000 0.000 0.283 136 G HA3 0.529 4.489 3.960 -0.000 0.000 0.283 136 G C -1.428 173.039 174.900 -0.722 0.000 1.178 136 G CA -0.082 44.472 45.100 -0.909 0.000 0.837 136 G HN 0.520 nan 8.290 nan 0.000 0.518 137 Y N -0.049 120.224 120.300 -0.045 0.000 2.409 137 Y HA 0.523 5.073 4.550 -0.000 0.000 0.343 137 Y C 0.520 176.473 175.900 0.089 0.000 0.973 137 Y CA -0.677 57.446 58.100 0.037 0.000 1.064 137 Y CB 2.807 41.330 38.460 0.104 0.000 1.207 137 Y HN 0.406 nan 8.280 nan 0.000 0.452 138 T N 5.203 119.884 114.554 0.211 0.000 2.815 138 T HA 0.610 4.960 4.350 -0.000 0.000 0.289 138 T C -0.854 173.923 174.700 0.128 0.000 1.000 138 T CA -0.618 61.557 62.100 0.124 0.000 0.958 138 T CB 0.226 69.133 68.868 0.066 0.000 0.944 138 T HN 0.369 nan 8.240 nan 0.000 0.442 139 L N 5.794 127.085 121.223 0.115 0.000 2.356 139 L HA 0.490 4.830 4.340 -0.000 0.000 0.277 139 L C -2.270 174.646 176.870 0.078 0.000 0.996 139 L CA -2.491 52.416 54.840 0.111 0.000 0.822 139 L CB 2.084 44.233 42.059 0.151 0.000 1.256 139 L HN 0.326 nan 8.230 nan 0.000 0.413 140 P HA 0.050 nan 4.420 nan 0.000 0.276 140 P C 0.220 177.557 177.300 0.062 0.000 1.243 140 P CA -0.065 63.078 63.100 0.071 0.000 0.768 140 P CB 1.595 33.338 31.700 0.070 0.000 0.856 141 V N 0.727 120.672 119.914 0.050 0.000 3.382 141 V HA 0.166 4.286 4.120 -0.000 0.000 0.296 141 V C 1.959 178.089 176.094 0.059 0.000 1.529 141 V CA 0.115 62.452 62.300 0.061 0.000 1.048 141 V CB -0.408 31.462 31.823 0.077 0.000 0.878 141 V HN 0.325 nan 8.190 nan 0.000 0.442 142 K N 2.594 123.018 120.400 0.039 0.000 2.059 142 K HA -0.247 4.073 4.320 -0.000 0.000 0.212 142 K C 2.157 178.788 176.600 0.051 0.000 1.050 142 K CA 2.620 58.933 56.287 0.043 0.000 0.927 142 K CB -0.251 32.255 32.500 0.010 0.000 0.714 142 K HN 0.755 nan 8.250 nan 0.000 0.447 143 S N -0.103 115.622 115.700 0.043 0.000 2.561 143 S HA -0.045 4.425 4.470 -0.000 0.000 0.225 143 S C 1.700 176.328 174.600 0.047 0.000 0.977 143 S CA 0.628 58.852 58.200 0.040 0.000 0.926 143 S CB 0.206 63.425 63.200 0.032 0.000 0.769 143 S HN 0.313 nan 8.310 nan 0.000 0.533 144 V N -1.125 118.825 119.914 0.060 0.000 3.660 144 V HA 0.481 4.601 4.120 -0.000 0.000 0.276 144 V C 0.488 176.623 176.094 0.068 0.000 1.317 144 V CA -0.276 62.064 62.300 0.067 0.000 1.097 144 V CB -0.594 31.278 31.823 0.082 0.000 0.863 144 V HN 0.408 nan 8.190 nan 0.000 0.438 145 L N 1.571 122.840 121.223 0.078 0.000 2.439 145 L HA 0.535 4.875 4.340 -0.000 0.000 0.261 145 L C 0.434 177.328 176.870 0.041 0.000 1.153 145 L CA -0.249 54.639 54.840 0.080 0.000 0.808 145 L CB 0.894 43.042 42.059 0.149 0.000 1.126 145 L HN 0.236 nan 8.230 nan 0.000 0.460 146 R N 1.171 121.672 120.500 0.001 0.000 2.686 146 R HA 0.346 4.686 4.340 -0.000 0.000 0.286 146 R C -0.936 175.349 176.300 -0.025 0.000 0.969 146 R CA -1.060 55.030 56.100 -0.016 0.000 0.898 146 R CB 2.230 32.506 30.300 -0.041 0.000 1.183 146 R HN 0.401 nan 8.270 nan 0.000 0.456 147 K N 1.283 121.674 120.400 -0.015 0.000 2.401 147 K HA 0.247 4.567 4.320 -0.000 0.000 0.278 147 K C 0.460 177.034 176.600 -0.043 0.000 1.018 147 K CA 1.253 57.528 56.287 -0.020 0.000 0.981 147 K CB 0.464 32.955 32.500 -0.014 0.000 0.933 147 K HN 0.752 nan 8.250 nan 0.000 0.477 148 G N 2.633 111.403 108.800 -0.051 0.000 2.499 148 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.232 148 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.232 148 G C -0.910 173.907 174.900 -0.140 0.000 1.251 148 G CA -0.450 44.606 45.100 -0.073 0.000 0.917 148 G HN 0.691 nan 8.290 nan 0.000 0.580 149 E N 1.686 121.780 120.200 -0.178 0.000 2.502 149 E HA 0.120 4.470 4.350 -0.000 0.000 0.261 149 E C 0.038 176.331 176.600 -0.512 0.000 0.974 149 E CA 0.609 56.807 56.400 -0.337 0.000 0.936 149 E CB 0.091 29.629 29.700 -0.270 0.000 0.926 149 E HN 0.429 nan 8.360 nan 0.000 0.459 150 N N 2.128 120.333 118.700 -0.826 0.000 2.235 150 N HA 0.272 5.012 4.740 -0.000 0.000 0.293 150 N C -1.135 173.772 175.510 -1.005 0.000 1.083 150 N CA -0.579 51.925 53.050 -0.909 0.000 0.801 150 N CB 1.707 39.500 38.487 -1.156 0.000 1.559 150 N HN 0.366 nan 8.380 nan 0.000 0.472 151 H N 1.456 120.380 119.070 -0.243 0.000 2.589 151 H HA 0.330 4.886 4.556 0.000 0.000 0.335 151 H C -0.811 174.585 175.328 0.114 0.000 1.019 151 H CA -0.546 55.471 56.048 -0.052 0.000 1.213 151 H CB 2.456 32.264 29.762 0.078 0.000 1.472 151 H HN 0.345 nan 8.280 nan 0.000 0.508 152 L N 4.358 125.722 121.223 0.235 0.000 2.305 152 L HA 0.381 4.721 4.340 -0.000 0.000 0.284 152 L C -1.636 175.416 176.870 0.304 0.000 1.013 152 L CA -0.478 54.555 54.840 0.322 0.000 0.819 152 L CB 0.629 42.883 42.059 0.326 0.000 1.227 152 L HN 0.447 nan 8.230 nan 0.000 0.417 153 Y N 5.110 125.608 120.300 0.331 0.000 2.391 153 Y HA 0.664 5.214 4.550 -0.000 0.000 0.341 153 Y C -0.457 175.724 175.900 0.468 0.000 0.965 153 Y CA -0.543 57.788 58.100 0.385 0.000 1.067 153 Y CB 2.055 40.688 38.460 0.290 0.000 1.199 153 Y HN 0.431 nan 8.280 nan 0.000 0.450 154 I N 3.956 124.890 120.570 0.608 0.000 2.466 154 I HA 0.216 4.386 4.170 -0.000 0.000 0.289 154 I C -1.450 174.867 176.117 0.333 0.000 1.026 154 I CA -0.953 60.557 61.300 0.351 0.000 1.078 154 I CB 1.898 39.965 38.000 0.112 0.000 1.249 154 I HN 0.546 nan 8.210 nan 0.000 0.429 155 Y N 6.591 126.962 120.300 0.119 0.000 2.417 155 Y HA 0.479 5.029 4.550 -0.000 0.000 0.336 155 Y C -1.006 174.833 175.900 -0.101 0.000 0.961 155 Y CA -0.589 57.575 58.100 0.107 0.000 1.215 155 Y CB 0.660 39.201 38.460 0.135 0.000 1.120 155 Y HN 0.347 nan 8.280 nan 0.000 0.499 156 F N 5.388 125.379 119.950 0.067 0.000 2.375 156 F HA 0.234 4.760 4.527 -0.000 0.000 0.362 156 F C 0.518 176.374 175.800 0.094 0.000 1.129 156 F CA -0.486 57.616 58.000 0.170 0.000 1.154 156 F CB 0.194 39.328 39.000 0.223 0.000 1.205 156 F HN 0.434 nan 8.300 nan 0.000 0.513 157 H N 1.347 120.718 119.070 0.502 0.000 2.764 157 H HA -0.009 4.547 4.556 -0.000 0.000 0.341 157 H C 0.574 176.122 175.328 0.367 0.000 1.072 157 H CA -0.252 56.051 56.048 0.425 0.000 1.444 157 H CB 1.263 31.229 29.762 0.340 0.000 1.458 157 H HN 0.532 nan 8.280 nan 0.000 0.572 158 S N 4.910 120.830 115.700 0.365 0.000 2.784 158 S HA -0.050 4.420 4.470 -0.000 0.000 0.322 158 S C -1.074 173.702 174.600 0.294 0.000 1.234 158 S CA -1.150 57.225 58.200 0.292 0.000 1.064 158 S CB 0.450 63.771 63.200 0.203 0.000 0.787 158 S HN 0.546 nan 8.310 nan 0.000 0.506 159 P HA -0.101 nan 4.420 nan 0.000 0.220 159 P C 1.476 178.927 177.300 0.251 0.000 1.148 159 P CA 0.692 64.035 63.100 0.406 0.000 0.803 159 P CB -0.030 31.893 31.700 0.372 0.000 0.782 160 I N 0.848 121.523 120.570 0.174 0.000 2.110 160 I HA -0.138 4.032 4.170 -0.000 0.000 0.236 160 I C 2.721 178.876 176.117 0.063 0.000 1.068 160 I CA 1.376 62.739 61.300 0.105 0.000 1.333 160 I CB -1.715 36.328 38.000 0.071 0.000 1.054 160 I HN -0.024 nan 8.210 nan 0.000 0.402 161 R N 0.409 120.955 120.500 0.078 0.000 2.127 161 R HA -0.239 4.101 4.340 -0.000 0.000 0.238 161 R C 2.214 178.520 176.300 0.010 0.000 1.134 161 R CA 1.405 57.540 56.100 0.057 0.000 0.975 161 R CB -0.430 29.924 30.300 0.090 0.000 0.865 161 R HN 0.396 nan 8.270 nan 0.000 0.447 162 Q N 0.595 120.383 119.800 -0.019 0.000 2.124 162 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 162 Q C 1.674 177.548 176.000 -0.209 0.000 0.977 162 Q CA 2.282 57.971 55.803 -0.191 0.000 0.850 162 Q CB 0.025 28.485 28.738 -0.463 0.000 0.901 162 Q HN 0.435 nan 8.270 nan 0.000 0.429 163 T N -2.928 111.560 114.554 -0.111 0.000 3.040 163 T HA 0.204 4.554 4.350 -0.000 0.000 0.250 163 T C 1.626 176.273 174.700 -0.089 0.000 1.058 163 T CA -0.067 61.973 62.100 -0.099 0.000 0.988 163 T CB -0.087 68.823 68.868 0.070 0.000 0.993 163 T HN 0.200 nan 8.240 nan 0.000 0.519 164 L N 1.359 122.559 121.223 -0.038 0.000 2.013 164 L HA -0.034 4.306 4.340 -0.000 0.000 0.212 164 L C -0.291 176.578 176.870 -0.000 0.000 1.073 164 L CA 1.633 56.475 54.840 0.003 0.000 0.753 164 L CB -1.519 40.547 42.059 0.013 0.000 0.890 164 L HN 0.248 nan 8.230 nan 0.000 0.432 165 P HA -0.187 nan 4.420 nan 0.000 0.219 165 P C 1.451 178.658 177.300 -0.155 0.000 1.150 165 P CA 1.258 64.309 63.100 -0.080 0.000 0.814 165 P CB 0.031 31.681 31.700 -0.083 0.000 0.787 166 Q N -1.113 118.534 119.800 -0.255 0.000 2.046 166 Q HA -0.212 4.128 4.340 -0.000 0.000 0.200 166 Q C 2.287 177.913 176.000 -0.623 0.000 0.975 166 Q CA 1.240 56.767 55.803 -0.460 0.000 0.836 166 Q CB -0.640 27.718 28.738 -0.632 0.000 0.896 166 Q HN 0.103 nan 8.270 nan 0.000 0.428 167 Y N 0.422 120.322 120.300 -0.667 0.000 2.081 167 Y HA -0.298 4.252 4.550 -0.000 0.000 0.280 167 Y C 2.040 177.829 175.900 -0.185 0.000 1.163 167 Y CA 1.959 59.843 58.100 -0.360 0.000 1.135 167 Y CB -0.643 37.751 38.460 -0.110 0.000 0.970 167 Y HN 0.216 nan 8.280 nan 0.000 0.498 168 A N -0.281 122.443 122.820 -0.160 0.000 1.940 168 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 168 A C 2.444 179.904 177.584 -0.207 0.000 1.176 168 A CA 2.329 54.270 52.037 -0.160 0.000 0.631 168 A CB -1.430 17.552 19.000 -0.029 0.000 0.814 168 A HN 0.637 nan 8.150 nan 0.000 0.446 169 S N -0.254 115.325 115.700 -0.201 0.000 2.481 169 S HA -0.135 4.335 4.470 -0.000 0.000 0.231 169 S C 1.589 176.081 174.600 -0.180 0.000 0.996 169 S CA 1.344 59.446 58.200 -0.163 0.000 0.942 169 S CB -0.559 62.556 63.200 -0.141 0.000 0.768 169 S HN 0.592 nan 8.310 nan 0.000 0.520 170 N N 1.256 119.788 118.700 -0.280 0.000 2.300 170 N HA 0.141 4.881 4.740 -0.000 0.000 0.179 170 N C 1.468 176.824 175.510 -0.257 0.000 1.016 170 N CA 1.374 54.253 53.050 -0.285 0.000 0.876 170 N CB -0.401 37.877 38.487 -0.348 0.000 0.979 170 N HN 0.601 nan 8.380 nan 0.000 0.432 171 G N -1.303 107.351 108.800 -0.244 0.000 2.205 171 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.261 171 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.261 171 G C 0.098 175.032 174.900 0.056 0.000 0.980 171 G CA 0.844 45.903 45.100 -0.069 0.000 0.632 171 G HN 0.556 nan 8.290 nan 0.000 0.533 172 F N -1.415 118.456 119.950 -0.132 0.000 2.662 172 F HA 0.782 5.309 4.527 -0.000 0.000 0.312 172 F C -0.913 174.872 175.800 -0.026 0.000 1.113 172 F CA -1.907 56.062 58.000 -0.050 0.000 0.951 172 F CB 0.906 39.903 39.000 -0.005 0.000 1.344 172 F HN -0.009 nan 8.300 nan 0.000 0.462 173 N N 1.204 120.085 118.700 0.302 0.000 2.422 173 N HA 0.273 5.013 4.740 -0.000 0.000 0.266 173 N C -1.433 174.350 175.510 0.455 0.000 1.007 173 N CA -0.452 52.827 53.050 0.381 0.000 0.941 173 N CB 0.364 39.063 38.487 0.352 0.000 1.115 173 N HN 0.629 nan 8.380 nan 0.000 0.492 174 Y N 3.364 123.834 120.300 0.282 0.000 2.597 174 Y HA 0.114 4.664 4.550 0.000 0.000 0.336 174 Y C -1.167 174.882 175.900 0.249 0.000 1.216 174 Y CA -1.074 57.133 58.100 0.177 0.000 1.463 174 Y CB 0.687 39.067 38.460 -0.134 0.000 1.303 174 Y HN 0.502 nan 8.280 nan 0.000 0.576 175 P HA 0.103 nan 4.420 nan 0.000 0.218 175 P C -0.780 176.496 177.300 -0.041 0.000 1.793 175 P CA 0.104 63.254 63.100 0.082 0.000 0.941 175 P CB -0.388 31.120 31.700 -0.321 0.000 1.919 176 A N 1.421 124.089 122.820 -0.253 0.000 3.015 176 A HA 0.166 4.486 4.320 -0.000 0.000 0.293 176 A C 1.186 178.328 177.584 -0.737 0.000 1.572 176 A CA -0.382 51.400 52.037 -0.425 0.000 1.274 176 A CB -0.402 18.355 19.000 -0.405 0.000 1.156 176 A HN 0.086 nan 8.150 nan 0.000 0.562 177 D N 0.866 121.045 120.400 -0.368 0.000 2.221 177 D HA -0.158 4.482 4.640 -0.000 0.000 0.204 177 D C 1.057 177.204 176.300 -0.255 0.000 0.982 177 D CA 1.098 54.952 54.000 -0.243 0.000 0.857 177 D CB 0.105 40.847 40.800 -0.096 0.000 0.934 177 D HN 0.543 nan 8.370 nan 0.000 0.475 178 N N 0.942 119.354 118.700 -0.479 0.000 2.494 178 N HA -0.093 4.647 4.740 -0.000 0.000 0.182 178 N C 0.258 175.467 175.510 -0.501 0.000 1.076 178 N CA 0.329 52.968 53.050 -0.686 0.000 0.908 178 N CB 0.105 37.544 38.487 -1.748 0.000 0.967 178 N HN 0.150 nan 8.380 nan 0.000 0.449 179 D N 1.056 121.271 120.400 -0.308 0.000 2.344 179 D HA -0.015 4.625 4.640 -0.000 0.000 0.253 179 D C -0.337 176.079 176.300 0.193 0.000 1.255 179 D CA 0.047 54.006 54.000 -0.067 0.000 0.894 179 D CB -0.147 40.597 40.800 -0.094 0.000 1.067 179 D HN 0.269 nan 8.370 nan 0.000 0.492 180 H N 4.343 123.487 119.070 0.123 0.000 2.799 180 H HA 0.141 4.697 4.556 0.000 0.000 0.225 180 H C -0.030 175.413 175.328 0.191 0.000 1.904 180 H CA -0.294 55.818 56.048 0.106 0.000 1.344 180 H CB 0.082 29.859 29.762 0.025 0.000 1.744 180 H HN 0.329 nan 8.280 nan 0.000 0.542 181 H N 0.826 120.031 119.070 0.225 0.000 3.068 181 H HA -0.035 4.521 4.556 -0.000 0.000 0.342 181 H C 0.575 175.929 175.328 0.043 0.000 1.284 181 H CA -0.464 55.655 56.048 0.120 0.000 1.181 181 H CB 1.578 31.416 29.762 0.127 0.000 1.898 181 H HN 0.569 nan 8.280 nan 0.000 0.540 182 E N 2.706 122.912 120.200 0.011 0.000 2.153 182 E HA -0.070 4.280 4.350 -0.000 0.000 0.194 182 E C -0.502 176.022 176.600 -0.127 0.000 0.988 182 E CA 0.841 57.212 56.400 -0.047 0.000 0.811 182 E CB 0.250 29.903 29.700 -0.079 0.000 0.746 182 E HN 0.310 nan 8.360 nan 0.000 0.466 183 K N 0.787 121.254 120.400 0.111 0.000 2.211 183 K HA 0.214 4.534 4.320 -0.000 0.000 0.275 183 K C -1.143 175.336 176.600 -0.202 0.000 1.024 183 K CA -0.333 55.758 56.287 -0.327 0.000 0.887 183 K CB 1.017 33.172 32.500 -0.575 0.000 1.084 183 K HN 0.244 nan 8.250 nan 0.000 0.463 184 H N 3.742 122.786 119.070 -0.043 0.000 2.788 184 H HA 0.115 4.671 4.556 -0.000 0.000 0.254 184 H C 0.803 176.107 175.328 -0.039 0.000 1.541 184 H CA -0.365 55.673 56.048 -0.017 0.000 1.295 184 H CB 0.232 30.016 29.762 0.037 0.000 1.592 184 H HN 0.377 nan 8.280 nan 0.000 0.545 185 L N 0.868 122.112 121.223 0.036 0.000 2.375 185 L HA -0.089 4.251 4.340 -0.000 0.000 0.215 185 L C 2.374 179.202 176.870 -0.070 0.000 1.108 185 L CA 0.425 55.347 54.840 0.137 0.000 0.830 185 L CB -0.129 41.992 42.059 0.104 0.000 0.959 185 L HN 0.560 nan 8.230 nan 0.000 0.457 186 S N 0.558 115.914 115.700 -0.574 0.000 2.387 186 S HA -0.213 4.257 4.470 -0.000 0.000 0.230 186 S C 1.965 176.363 174.600 -0.337 0.000 1.035 186 S CA 1.502 59.120 58.200 -0.969 0.000 1.014 186 S CB -1.286 61.163 63.200 -1.251 0.000 0.836 186 S HN 0.375 nan 8.310 nan 0.000 0.466 187 V N -1.942 117.723 119.914 -0.416 0.000 2.720 187 V HA 0.016 4.136 4.120 -0.000 0.000 0.256 187 V C 1.968 177.814 176.094 -0.413 0.000 1.082 187 V CA 1.271 63.267 62.300 -0.508 0.000 1.101 187 V CB -1.439 29.714 31.823 -1.116 0.000 0.693 187 V HN 0.358 nan 8.190 nan 0.000 0.479 188 F N 1.174 121.093 119.950 -0.050 0.000 2.416 188 F HA 0.269 4.796 4.527 -0.000 0.000 0.296 188 F C 1.569 177.541 175.800 0.287 0.000 1.099 188 F CA 0.381 58.410 58.000 0.048 0.000 1.427 188 F CB -0.380 38.646 39.000 0.044 0.000 1.079 188 F HN 0.099 nan 8.300 nan 0.000 0.536 189 S N 0.885 116.834 115.700 0.414 0.000 2.475 189 S HA 0.402 4.872 4.470 -0.000 0.000 0.298 189 S C 0.088 174.864 174.600 0.294 0.000 1.119 189 S CA -0.825 57.617 58.200 0.403 0.000 1.085 189 S CB 1.149 64.601 63.200 0.419 0.000 1.028 189 S HN -0.063 nan 8.310 nan 0.000 0.489 190 R N 3.240 123.850 120.500 0.182 0.000 2.612 190 R HA 0.299 4.639 4.340 -0.000 0.000 0.273 190 R C -0.087 176.023 176.300 -0.316 0.000 1.376 190 R CA 0.067 56.215 56.100 0.080 0.000 1.171 190 R CB -0.999 29.352 30.300 0.085 0.000 1.151 190 R HN 0.544 nan 8.270 nan 0.000 0.560 191 K N 0.012 120.287 120.400 -0.209 0.000 2.557 191 K HA 0.383 4.703 4.320 -0.000 0.000 0.261 191 K C -1.069 175.558 176.600 0.045 0.000 0.932 191 K CA -0.659 55.428 56.287 -0.334 0.000 0.829 191 K CB 2.057 34.534 32.500 -0.038 0.000 1.358 191 K HN 0.411 nan 8.250 nan 0.000 0.430 192 A N 5.097 127.938 122.820 0.036 0.000 2.567 192 A HA 0.035 4.355 4.320 -0.000 0.000 0.263 192 A C -1.919 175.871 177.584 0.344 0.000 1.030 192 A CA -0.430 51.797 52.037 0.317 0.000 0.833 192 A CB -0.417 18.750 19.000 0.279 0.000 0.924 192 A HN 0.579 nan 8.150 nan 0.000 0.518 193 P HA -0.212 nan 4.420 nan 0.000 0.216 193 P C 1.218 178.791 177.300 0.455 0.000 1.150 193 P CA 1.965 65.270 63.100 0.342 0.000 0.843 193 P CB -0.133 31.701 31.700 0.223 0.000 0.787 194 Y N -0.690 119.724 120.300 0.191 0.000 2.497 194 Y HA -0.067 4.483 4.550 -0.000 0.000 0.292 194 Y C 2.016 177.993 175.900 0.128 0.000 1.137 194 Y CA 0.855 59.085 58.100 0.217 0.000 1.285 194 Y CB -1.327 37.271 38.460 0.230 0.000 0.991 194 Y HN -0.046 nan 8.280 nan 0.000 0.556 195 S N -0.580 114.778 115.700 -0.570 0.000 2.442 195 S HA -0.231 4.239 4.470 -0.000 0.000 0.236 195 S C 1.165 175.491 174.600 -0.455 0.000 1.007 195 S CA 0.919 58.690 58.200 -0.714 0.000 0.965 195 S CB -1.162 61.671 63.200 -0.610 0.000 0.773 195 S HN 0.661 nan 8.310 nan 0.000 0.504 196 Y N 2.578 122.759 120.300 -0.199 0.000 2.490 196 Y HA 0.421 4.971 4.550 -0.000 0.000 0.281 196 Y C 1.493 177.257 175.900 -0.228 0.000 1.174 196 Y CA 0.230 58.250 58.100 -0.133 0.000 1.295 196 Y CB -0.161 38.276 38.460 -0.039 0.000 1.062 196 Y HN 0.585 nan 8.280 nan 0.000 0.522 197 G N -0.828 107.862 108.800 -0.185 0.000 2.539 197 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.686 197 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.686 197 G C -1.353 173.312 174.900 -0.392 0.000 1.258 197 G CA -0.912 43.904 45.100 -0.472 0.000 0.846 197 G HN 0.151 nan 8.290 nan 0.000 0.647 198 W N 0.545 121.441 121.300 -0.672 0.000 2.988 198 W HA 0.368 5.028 4.660 0.000 0.000 0.355 198 W C 0.390 176.660 176.519 -0.414 0.000 1.233 198 W CA 0.290 57.234 57.345 -0.668 0.000 1.176 198 W CB 1.632 30.396 29.460 -1.160 0.000 1.477 198 W HN 0.819 nan 8.180 nan 0.000 0.582 199 D N -0.531 119.624 120.400 -0.409 0.000 2.392 199 D HA -0.146 4.494 4.640 -0.000 0.000 0.228 199 D C 0.932 177.436 176.300 0.340 0.000 1.003 199 D CA 0.827 54.837 54.000 0.016 0.000 0.917 199 D CB -0.541 40.285 40.800 0.044 0.000 0.890 199 D HN 0.430 nan 8.370 nan 0.000 0.532 200 W N -1.504 120.142 121.300 0.577 0.000 2.284 200 W HA 0.603 5.263 4.660 -0.000 0.000 0.334 200 W C -0.166 176.675 176.519 0.536 0.000 0.917 200 W CA -0.823 56.826 57.345 0.506 0.000 1.621 200 W CB 0.179 29.957 29.460 0.530 0.000 1.129 200 W HN 0.006 nan 8.180 nan 0.000 0.528 201 G N 1.752 110.829 108.800 0.461 0.000 2.620 201 G HA2 0.537 4.497 3.960 -0.000 0.000 0.301 201 G HA3 0.537 4.497 3.960 -0.000 0.000 0.301 201 G C -1.543 173.234 174.900 -0.205 0.000 1.347 201 G CA -0.950 44.330 45.100 0.299 0.000 0.971 201 G HN 0.117 nan 8.290 nan 0.000 0.488 202 I N 0.528 120.498 120.570 -1.000 0.000 2.638 202 I HA 0.419 4.589 4.170 -0.000 0.000 0.286 202 I C 0.736 176.536 176.117 -0.528 0.000 1.088 202 I CA -0.930 59.744 61.300 -1.043 0.000 1.397 202 I CB 0.757 37.725 38.000 -1.720 0.000 1.414 202 I HN 0.462 nan 8.210 nan 0.000 0.566 203 R N 8.319 128.615 120.500 -0.340 0.000 2.242 203 R HA 0.401 4.741 4.340 -0.000 0.000 0.334 203 R C -1.267 174.836 176.300 -0.328 0.000 1.071 203 R CA -0.106 55.833 56.100 -0.268 0.000 0.922 203 R CB 0.404 30.646 30.300 -0.096 0.000 1.023 203 R HN 0.706 nan 8.270 nan 0.000 0.458 204 M N 5.759 125.097 119.600 -0.436 0.000 1.962 204 M HA 0.155 4.635 4.480 -0.000 0.000 0.227 204 M C -1.057 174.895 176.300 -0.580 0.000 0.890 204 M CA -0.598 54.360 55.300 -0.571 0.000 0.843 204 M CB 2.083 34.288 32.600 -0.658 0.000 1.894 204 M HN 0.254 nan 8.290 nan 0.000 0.359 205 V N 1.557 121.207 119.914 -0.441 0.000 2.287 205 V HA 0.090 4.210 4.120 -0.000 0.000 0.246 205 V C 0.748 176.692 176.094 -0.249 0.000 1.165 205 V CA 0.429 62.457 62.300 -0.453 0.000 1.088 205 V CB 0.184 31.712 31.823 -0.491 0.000 1.242 205 V HN 0.701 nan 8.190 nan 0.000 0.497 206 T N 3.142 117.511 114.554 -0.308 0.000 2.849 206 T HA 0.624 4.974 4.350 -0.000 0.000 0.276 206 T C 0.143 174.710 174.700 -0.221 0.000 0.971 206 T CA -0.169 61.827 62.100 -0.173 0.000 0.949 206 T CB 1.369 70.098 68.868 -0.233 0.000 1.093 206 T HN 0.615 nan 8.240 nan 0.000 0.545 207 S N -1.165 114.364 115.700 -0.284 0.000 2.638 207 S HA 0.885 5.355 4.470 -0.000 0.000 0.274 207 S C -0.250 173.959 174.600 -0.652 0.000 1.157 207 S CA -0.104 57.854 58.200 -0.404 0.000 0.826 207 S CB 1.678 64.699 63.200 -0.297 0.000 1.139 207 S HN 1.348 nan 8.310 nan 0.000 0.474 208 G N -0.383 107.764 108.800 -1.089 0.000 2.359 208 G HA2 0.161 4.121 3.960 -0.000 0.000 0.303 208 G HA3 0.161 4.121 3.960 -0.000 0.000 0.303 208 G C -1.691 172.902 174.900 -0.513 0.000 1.293 208 G CA -0.601 43.763 45.100 -1.227 0.000 0.964 208 G HN 0.964 nan 8.290 nan 0.000 0.531 209 V N 2.240 121.927 119.914 -0.378 0.000 2.276 209 V HA 0.233 4.353 4.120 -0.000 0.000 0.249 209 V C 1.448 177.515 176.094 -0.045 0.000 1.160 209 V CA 0.289 62.545 62.300 -0.074 0.000 1.042 209 V CB -0.246 31.412 31.823 -0.274 0.000 1.224 209 V HN 0.830 nan 8.190 nan 0.000 0.496 210 W N 4.720 125.953 121.300 -0.113 0.000 3.003 210 W HA 0.291 4.951 4.660 0.000 0.000 0.257 210 W C 0.350 176.868 176.519 -0.002 0.000 1.308 210 W CA -0.503 56.795 57.345 -0.079 0.000 1.529 210 W CB 0.102 29.528 29.460 -0.057 0.000 1.115 210 W HN 0.343 nan 8.180 nan 0.000 0.659 211 R N 0.095 120.315 120.500 -0.466 0.000 2.888 211 R HA 0.437 4.777 4.340 -0.000 0.000 0.264 211 R C -2.565 173.625 176.300 -0.183 0.000 1.045 211 R CA -2.065 53.778 56.100 -0.429 0.000 0.962 211 R CB 1.314 31.187 30.300 -0.711 0.000 1.210 211 R HN -0.392 nan 8.270 nan 0.000 0.479 212 P HA 0.098 nan 4.420 nan 0.000 0.272 212 P C -1.028 176.241 177.300 -0.052 0.000 1.223 212 P CA -0.277 62.784 63.100 -0.065 0.000 0.784 212 P CB 0.649 32.319 31.700 -0.050 0.000 0.923 213 V N 1.880 121.770 119.914 -0.040 0.000 2.555 213 V HA 0.622 4.742 4.120 -0.000 0.000 0.302 213 V C 0.073 176.089 176.094 -0.130 0.000 1.038 213 V CA -0.212 62.005 62.300 -0.138 0.000 0.887 213 V CB 1.877 33.678 31.823 -0.036 0.000 0.991 213 V HN 0.502 nan 8.190 nan 0.000 0.434 214 T N 4.929 119.350 114.554 -0.221 0.000 2.923 214 T HA 0.619 4.969 4.350 -0.000 0.000 0.311 214 T C -1.042 173.507 174.700 -0.253 0.000 1.183 214 T CA -0.429 61.566 62.100 -0.175 0.000 1.020 214 T CB 1.686 70.485 68.868 -0.115 0.000 1.165 214 T HN 0.433 nan 8.240 nan 0.000 0.482 215 L N 2.565 123.633 121.223 -0.258 0.000 2.313 215 L HA 0.647 4.987 4.340 -0.000 0.000 0.283 215 L C 0.002 176.645 176.870 -0.378 0.000 1.013 215 L CA -0.781 53.829 54.840 -0.383 0.000 0.816 215 L CB 1.625 43.388 42.059 -0.495 0.000 1.236 215 L HN 0.396 nan 8.230 nan 0.000 0.419 216 R N 3.348 123.613 120.500 -0.392 0.000 2.393 216 R HA 0.524 4.864 4.340 -0.000 0.000 0.315 216 R C -1.691 174.471 176.300 -0.231 0.000 0.952 216 R CA -0.445 55.539 56.100 -0.193 0.000 0.842 216 R CB 0.935 31.201 30.300 -0.056 0.000 1.163 216 R HN 0.317 nan 8.270 nan 0.000 0.450 217 F N 5.947 125.978 119.950 0.134 0.000 2.411 217 F HA 0.402 4.929 4.527 -0.000 0.000 0.352 217 F C -0.427 175.461 175.800 0.147 0.000 1.123 217 F CA -0.560 57.496 58.000 0.093 0.000 1.044 217 F CB 1.134 40.153 39.000 0.031 0.000 1.135 217 F HN 0.470 nan 8.300 nan 0.000 0.461 218 Y N -0.516 119.868 120.300 0.140 0.000 2.625 218 Y HA 0.702 5.252 4.550 -0.001 0.000 0.338 218 Y C -1.641 174.296 175.900 0.062 0.000 1.123 218 Y CA -1.562 56.586 58.100 0.079 0.000 1.046 218 Y CB 1.273 39.753 38.460 0.034 0.000 1.299 218 Y HN 0.331 nan 8.280 nan 0.000 0.464 219 D N 2.509 122.993 120.400 0.139 0.000 2.252 219 D HA 0.428 5.068 4.640 -0.000 0.000 0.245 219 D C 0.762 177.162 176.300 0.167 0.000 1.009 219 D CA -0.081 53.949 54.000 0.050 0.000 0.870 219 D CB 1.951 42.777 40.800 0.043 0.000 1.251 219 D HN 0.752 nan 8.370 nan 0.000 0.460 220 I N -0.705 119.921 120.570 0.094 0.000 4.701 220 I HA -0.378 3.792 4.170 -0.000 0.000 0.046 220 I C 0.547 176.787 176.117 0.205 0.000 0.626 220 I CA 1.780 63.149 61.300 0.115 0.000 0.723 220 I CB -1.942 36.105 38.000 0.079 0.000 0.675 220 I HN 0.651 nan 8.210 nan 0.000 0.157 221 A N -0.126 122.859 122.820 0.275 0.000 2.586 221 A HA 0.775 5.095 4.320 -0.000 0.000 0.290 221 A C -0.230 177.323 177.584 -0.052 0.000 1.086 221 A CA 0.417 52.551 52.037 0.163 0.000 0.665 221 A CB 1.565 20.596 19.000 0.052 0.000 1.279 221 A HN 0.751 nan 8.150 nan 0.000 0.423 222 T N -1.253 113.160 114.554 -0.236 0.000 2.907 222 T HA 0.697 5.047 4.350 -0.000 0.000 0.292 222 T C -0.480 174.118 174.700 -0.169 0.000 1.043 222 T CA -0.461 61.440 62.100 -0.330 0.000 1.003 222 T CB 0.957 69.491 68.868 -0.556 0.000 1.084 222 T HN 0.586 nan 8.240 nan 0.000 0.483 223 I N 3.161 123.652 120.570 -0.133 0.000 2.347 223 I HA 0.105 4.275 4.170 -0.000 0.000 0.294 223 I C 1.223 177.302 176.117 -0.063 0.000 1.090 223 I CA -0.353 60.899 61.300 -0.081 0.000 1.314 223 I CB 0.878 38.836 38.000 -0.069 0.000 1.423 223 I HN 0.806 nan 8.210 nan 0.000 0.503 224 S N 3.545 119.215 115.700 -0.050 0.000 2.406 224 S HA -0.063 4.407 4.470 -0.000 0.000 0.228 224 S C 0.305 174.910 174.600 0.008 0.000 1.020 224 S CA 0.538 58.719 58.200 -0.032 0.000 0.965 224 S CB -0.149 63.030 63.200 -0.035 0.000 0.798 224 S HN 0.771 nan 8.310 nan 0.000 0.488 225 D N -1.096 119.334 120.400 0.049 0.000 2.837 225 D HA 0.424 5.064 4.640 -0.000 0.000 0.220 225 D C -1.965 174.477 176.300 0.237 0.000 1.236 225 D CA -0.572 53.493 54.000 0.108 0.000 0.838 225 D CB 1.216 42.060 40.800 0.073 0.000 1.647 225 D HN 0.001 nan 8.370 nan 0.000 0.486 226 Y N 3.738 124.127 120.300 0.148 0.000 2.361 226 Y HA 0.562 5.112 4.550 0.000 0.000 0.337 226 Y C -2.241 173.812 175.900 0.256 0.000 0.965 226 Y CA -1.260 56.961 58.100 0.202 0.000 1.091 226 Y CB 0.947 39.521 38.460 0.190 0.000 1.182 226 Y HN 0.402 nan 8.280 nan 0.000 0.450 227 Y N 6.327 126.626 120.300 -0.001 0.000 2.326 227 Y HA 0.623 5.173 4.550 0.000 0.000 0.329 227 Y C -1.646 174.059 175.900 -0.325 0.000 0.973 227 Y CA -1.777 56.171 58.100 -0.254 0.000 1.162 227 Y CB 1.282 39.685 38.460 -0.095 0.000 1.147 227 Y HN 0.368 nan 8.280 nan 0.000 0.456 228 V N 8.056 127.583 119.914 -0.645 0.000 2.356 228 V HA 0.354 4.474 4.120 -0.000 0.000 0.258 228 V C 0.307 175.920 176.094 -0.802 0.000 1.065 228 V CA -0.481 61.416 62.300 -0.670 0.000 0.935 228 V CB 0.220 31.569 31.823 -0.789 0.000 1.061 228 V HN 0.694 nan 8.190 nan 0.000 0.484 229 R N 4.132 124.123 120.500 -0.848 0.000 2.254 229 R HA 0.288 4.628 4.340 -0.000 0.000 0.318 229 R C -0.021 176.068 176.300 -0.353 0.000 1.031 229 R CA -0.425 55.237 56.100 -0.729 0.000 0.905 229 R CB 0.849 30.743 30.300 -0.676 0.000 1.050 229 R HN 0.771 nan 8.270 nan 0.000 0.456 230 Q N 4.859 124.506 119.800 -0.255 0.000 2.314 230 Q HA 0.108 4.448 4.340 -0.000 0.000 0.257 230 Q C 0.340 176.276 176.000 -0.105 0.000 0.975 230 Q CA -0.217 55.490 55.803 -0.161 0.000 0.933 230 Q CB 1.107 29.763 28.738 -0.136 0.000 1.195 230 Q HN 0.767 nan 8.270 nan 0.000 0.426 231 L N 2.153 123.326 121.223 -0.083 0.000 2.130 231 L HA 0.110 4.450 4.340 -0.000 0.000 0.200 231 L C 0.689 177.537 176.870 -0.037 0.000 1.075 231 L CA 0.512 55.318 54.840 -0.056 0.000 0.768 231 L CB 0.042 42.073 42.059 -0.046 0.000 0.933 231 L HN 0.676 nan 8.230 nan 0.000 0.451 232 S N -0.908 114.772 115.700 -0.032 0.000 2.550 232 S HA 0.631 5.101 4.470 -0.000 0.000 0.270 232 S C -1.259 173.332 174.600 -0.014 0.000 1.145 232 S CA -0.783 57.406 58.200 -0.018 0.000 0.852 232 S CB 2.551 65.744 63.200 -0.012 0.000 1.119 232 S HN 0.019 nan 8.310 nan 0.000 0.465 233 L N 1.944 123.166 121.223 -0.001 0.000 2.470 233 L HA 0.849 5.189 4.340 -0.000 0.000 0.268 233 L C -0.347 176.535 176.870 0.020 0.000 0.964 233 L CA 0.348 55.193 54.840 0.009 0.000 0.839 233 L CB 1.869 43.939 42.059 0.017 0.000 1.276 233 L HN 1.231 nan 8.230 nan 0.000 0.403 234 T N -0.801 113.766 114.554 0.021 0.000 2.831 234 T HA 0.449 4.799 4.350 -0.000 0.000 0.287 234 T C 0.284 175.004 174.700 0.033 0.000 1.070 234 T CA -0.501 61.614 62.100 0.026 0.000 1.010 234 T CB 1.164 70.043 68.868 0.018 0.000 1.264 234 T HN 0.476 nan 8.240 nan 0.000 0.532 235 D N 0.167 120.586 120.400 0.032 0.000 2.264 235 D HA -0.000 4.640 4.640 -0.000 0.000 0.208 235 D C 1.537 177.858 176.300 0.034 0.000 0.966 235 D CA 1.079 55.100 54.000 0.036 0.000 0.864 235 D CB 0.101 40.918 40.800 0.029 0.000 0.933 235 D HN 0.613 nan 8.370 nan 0.000 0.499 236 E N -0.222 119.994 120.200 0.026 0.000 2.140 236 E HA 0.082 4.432 4.350 -0.000 0.000 0.191 236 E C 0.312 176.924 176.600 0.021 0.000 0.973 236 E CA 0.375 56.788 56.400 0.022 0.000 0.829 236 E CB 0.312 30.021 29.700 0.016 0.000 0.781 236 E HN 0.013 nan 8.360 nan 0.000 0.466 237 N N -0.938 117.772 118.700 0.018 0.000 2.431 237 N HA 0.505 5.245 4.740 -0.000 0.000 0.275 237 N C -1.994 173.519 175.510 0.004 0.000 1.091 237 N CA -0.337 52.719 53.050 0.010 0.000 0.922 237 N CB 1.634 40.124 38.487 0.006 0.000 1.666 237 N HN -0.003 nan 8.380 nan 0.000 0.484 238 A N 2.585 125.400 122.820 -0.007 0.000 2.318 238 A HA 0.764 5.084 4.320 -0.000 0.000 0.324 238 A C -0.577 176.997 177.584 -0.016 0.000 1.170 238 A CA -0.570 51.457 52.037 -0.017 0.000 0.810 238 A CB 0.620 19.597 19.000 -0.038 0.000 1.198 238 A HN 0.634 nan 8.150 nan 0.000 0.484 239 R N 2.418 122.907 120.500 -0.018 0.000 2.360 239 R HA 0.553 4.893 4.340 -0.000 0.000 0.318 239 R C -1.196 175.086 176.300 -0.029 0.000 0.950 239 R CA -0.644 55.447 56.100 -0.016 0.000 0.837 239 R CB 1.318 31.609 30.300 -0.015 0.000 1.165 239 R HN 0.482 nan 8.270 nan 0.000 0.458 240 L N 1.118 122.336 121.223 -0.009 0.000 2.330 240 L HA 0.510 4.850 4.340 -0.000 0.000 0.271 240 L C 0.192 177.050 176.870 -0.020 0.000 1.013 240 L CA -0.492 54.332 54.840 -0.026 0.000 0.816 240 L CB 1.751 43.846 42.059 0.059 0.000 1.287 240 L HN 0.535 nan 8.230 nan 0.000 0.435 241 S N 2.033 117.687 115.700 -0.076 0.000 2.659 241 S HA 0.454 4.924 4.470 -0.000 0.000 0.312 241 S C -0.645 173.919 174.600 -0.059 0.000 1.114 241 S CA -0.728 57.441 58.200 -0.053 0.000 1.063 241 S CB 0.396 63.549 63.200 -0.078 0.000 0.996 241 S HN 0.594 nan 8.310 nan 0.000 0.478 242 N N 4.672 123.412 118.700 0.067 0.000 2.439 242 N HA 0.157 4.897 4.740 -0.000 0.000 0.243 242 N C -0.882 174.747 175.510 0.198 0.000 1.088 242 N CA -0.058 53.120 53.050 0.215 0.000 0.940 242 N CB 0.963 39.651 38.487 0.334 0.000 1.180 242 N HN 0.689 nan 8.380 nan 0.000 0.505 243 E N 2.477 122.799 120.200 0.203 0.000 2.113 243 E HA 0.358 4.708 4.350 -0.000 0.000 0.273 243 E C -0.539 176.245 176.600 0.306 0.000 0.924 243 E CA -0.433 56.093 56.400 0.209 0.000 0.764 243 E CB 1.464 31.276 29.700 0.187 0.000 1.104 243 E HN 0.308 nan 8.360 nan 0.000 0.406 244 L N 4.193 125.540 121.223 0.208 0.000 2.329 244 L HA 0.531 4.871 4.340 -0.000 0.000 0.279 244 L C -0.463 176.464 176.870 0.095 0.000 1.014 244 L CA -0.619 54.310 54.840 0.149 0.000 0.814 244 L CB 1.433 43.509 42.059 0.029 0.000 1.257 244 L HN 0.443 nan 8.230 nan 0.000 0.424 245 I N 3.445 124.050 120.570 0.058 0.000 2.355 245 I HA 0.382 4.552 4.170 -0.000 0.000 0.288 245 I C -0.768 175.307 176.117 -0.069 0.000 0.999 245 I CA -0.660 60.605 61.300 -0.059 0.000 1.163 245 I CB 1.743 39.717 38.000 -0.043 0.000 1.316 245 I HN 0.187 nan 8.210 nan 0.000 0.454 246 V N 5.387 125.240 119.914 -0.102 0.000 2.417 246 V HA 0.314 4.434 4.120 -0.000 0.000 0.291 246 V C -0.256 175.790 176.094 -0.081 0.000 1.024 246 V CA -0.716 61.537 62.300 -0.079 0.000 0.861 246 V CB 1.835 33.622 31.823 -0.059 0.000 0.985 246 V HN 0.664 nan 8.190 nan 0.000 0.436 247 N N 3.708 122.368 118.700 -0.066 0.000 2.501 247 N HA 0.281 5.020 4.740 -0.000 0.000 0.245 247 N C -0.483 175.033 175.510 0.009 0.000 0.974 247 N CA -0.320 52.708 53.050 -0.037 0.000 0.941 247 N CB 1.166 39.632 38.487 -0.035 0.000 1.122 247 N HN 0.802 nan 8.380 nan 0.000 0.507 248 Q N 3.692 123.508 119.800 0.026 0.000 2.256 248 Q HA 0.294 4.634 4.340 -0.000 0.000 0.254 248 Q C -0.078 175.970 176.000 0.081 0.000 0.916 248 Q CA -0.377 55.463 55.803 0.061 0.000 0.932 248 Q CB 1.047 29.807 28.738 0.037 0.000 1.207 248 Q HN 0.703 nan 8.270 nan 0.000 0.426 249 I N 4.270 124.914 120.570 0.123 0.000 3.941 249 I HA 0.065 4.235 4.170 -0.000 0.000 0.321 249 I C -0.159 175.987 176.117 0.048 0.000 1.284 249 I CA 0.127 61.488 61.300 0.102 0.000 1.226 249 I CB 1.096 39.185 38.000 0.149 0.000 1.045 249 I HN 0.560 nan 8.210 nan 0.000 0.420 250 V N -1.325 118.614 119.914 0.042 0.000 2.837 250 V HA 0.504 4.624 4.120 -0.000 0.000 0.310 250 V C -1.616 174.491 176.094 0.021 0.000 1.059 250 V CA -1.230 61.082 62.300 0.022 0.000 1.004 250 V CB 0.420 32.253 31.823 0.017 0.000 1.045 250 V HN -0.012 nan 8.190 nan 0.000 0.465 251 P HA 0.005 nan 4.420 nan 0.000 0.227 251 P C 0.251 177.559 177.300 0.014 0.000 1.161 251 P CA 0.722 63.831 63.100 0.015 0.000 0.788 251 P CB 0.206 31.913 31.700 0.012 0.000 0.822 252 Q N 0.572 120.379 119.800 0.013 0.000 2.260 252 Q HA 0.211 4.551 4.340 -0.000 0.000 0.238 252 Q C -0.090 175.918 176.000 0.013 0.000 0.948 252 Q CA -0.483 55.327 55.803 0.012 0.000 0.895 252 Q CB 0.797 29.541 28.738 0.009 0.000 1.218 252 Q HN -0.062 nan 8.270 nan 0.000 0.470 253 K N 1.698 122.105 120.400 0.012 0.000 2.401 253 K HA 0.280 4.600 4.320 -0.000 0.000 0.278 253 K C -0.110 176.496 176.600 0.011 0.000 1.018 253 K CA -0.089 56.205 56.287 0.012 0.000 0.981 253 K CB 0.330 32.837 32.500 0.010 0.000 0.933 253 K HN 0.574 nan 8.250 nan 0.000 0.477 254 I N 5.420 125.998 120.570 0.012 0.000 2.439 254 I HA 0.192 4.362 4.170 -0.000 0.000 0.285 254 I C -2.289 173.833 176.117 0.009 0.000 1.021 254 I CA -2.642 58.665 61.300 0.011 0.000 1.091 254 I CB 1.724 39.734 38.000 0.016 0.000 1.242 254 I HN 0.215 nan 8.210 nan 0.000 0.439 255 P HA 0.333 nan 4.420 nan 0.000 0.271 255 P C -0.779 176.524 177.300 0.004 0.000 1.220 255 P CA -0.041 63.062 63.100 0.005 0.000 0.768 255 P CB 1.641 33.343 31.700 0.004 0.000 0.848 256 A N 2.429 125.250 122.820 0.002 0.000 2.594 256 A HA 0.597 4.917 4.320 -0.000 0.000 0.291 256 A C -1.149 176.432 177.584 -0.005 0.000 1.105 256 A CA -0.648 51.388 52.037 -0.001 0.000 0.694 256 A CB 1.575 20.573 19.000 -0.002 0.000 1.291 256 A HN 0.519 nan 8.150 nan 0.000 0.410 257 E N 0.794 120.989 120.200 -0.009 0.000 2.191 257 E HA 0.559 4.909 4.350 -0.000 0.000 0.263 257 E C -1.535 175.052 176.600 -0.022 0.000 0.881 257 E CA -0.559 55.834 56.400 -0.013 0.000 0.757 257 E CB 1.643 31.336 29.700 -0.012 0.000 1.147 257 E HN 0.438 nan 8.360 nan 0.000 0.414 258 V N 5.293 125.192 119.914 -0.025 0.000 2.432 258 V HA 0.373 4.493 4.120 -0.000 0.000 0.271 258 V C 0.091 176.160 176.094 -0.041 0.000 1.046 258 V CA -0.346 61.930 62.300 -0.041 0.000 0.945 258 V CB 0.789 32.587 31.823 -0.041 0.000 0.992 258 V HN 0.647 nan 8.190 nan 0.000 0.471 259 R N 3.529 123.997 120.500 -0.053 0.000 2.445 259 R HA 0.736 5.076 4.340 -0.000 0.000 0.308 259 R C -1.375 174.887 176.300 -0.063 0.000 0.961 259 R CA -0.700 55.371 56.100 -0.048 0.000 0.862 259 R CB 2.263 32.539 30.300 -0.040 0.000 1.144 259 R HN 0.494 nan 8.270 nan 0.000 0.447 260 V N 3.351 123.237 119.914 -0.045 0.000 2.378 260 V HA 0.224 4.344 4.120 -0.000 0.000 0.288 260 V C -0.365 175.698 176.094 -0.052 0.000 1.016 260 V CA -0.878 61.401 62.300 -0.035 0.000 0.840 260 V CB 1.413 33.249 31.823 0.022 0.000 0.994 260 V HN 0.706 nan 8.190 nan 0.000 0.431 261 N N 4.418 123.085 118.700 -0.056 0.000 2.419 261 N HA 0.411 5.151 4.740 -0.000 0.000 0.277 261 N C -1.191 174.222 175.510 -0.163 0.000 1.006 261 N CA -0.216 52.783 53.050 -0.084 0.000 0.923 261 N CB 2.049 40.507 38.487 -0.048 0.000 1.140 261 N HN 0.385 nan 8.380 nan 0.000 0.488 262 V N 2.949 122.708 119.914 -0.259 0.000 2.357 262 V HA 0.387 4.507 4.120 -0.000 0.000 0.284 262 V C 0.180 176.182 176.094 -0.155 0.000 1.018 262 V CA -0.619 61.417 62.300 -0.440 0.000 0.841 262 V CB 0.777 32.168 31.823 -0.721 0.000 0.991 262 V HN 0.795 nan 8.190 nan 0.000 0.437 263 S N 5.209 120.884 115.700 -0.040 0.000 2.632 263 S HA 0.906 5.376 4.470 -0.000 0.000 0.289 263 S C -1.242 173.413 174.600 0.091 0.000 1.115 263 S CA -0.862 57.362 58.200 0.040 0.000 0.889 263 S CB 2.325 65.531 63.200 0.009 0.000 1.116 263 S HN 0.610 nan 8.310 nan 0.000 0.486 264 L N 2.071 123.294 121.223 -0.001 0.000 2.446 264 L HA 0.576 4.916 4.340 -0.000 0.000 0.268 264 L C -0.497 176.311 176.870 -0.103 0.000 0.975 264 L CA 0.237 54.978 54.840 -0.166 0.000 0.848 264 L CB 0.754 42.585 42.059 -0.380 0.000 1.225 264 L HN 0.879 nan 8.230 nan 0.000 0.410 265 N N 4.296 122.946 118.700 -0.083 0.000 2.740 265 N HA -0.201 4.538 4.740 -0.000 0.000 0.248 265 N C 0.901 176.396 175.510 -0.026 0.000 1.062 265 N CA 1.417 54.437 53.050 -0.049 0.000 0.704 265 N CB -1.020 37.432 38.487 -0.060 0.000 0.968 265 N HN 1.284 nan 8.380 nan 0.000 0.547 266 G N -2.475 106.316 108.800 -0.015 0.000 2.157 266 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.239 266 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.239 266 G C 0.036 174.933 174.900 -0.005 0.000 0.982 266 G CA 0.541 45.637 45.100 -0.006 0.000 0.650 266 G HN 0.507 nan 8.290 nan 0.000 0.527 267 T N 1.667 116.216 114.554 -0.008 0.000 2.809 267 T HA 0.539 4.889 4.350 -0.000 0.000 0.284 267 T C 0.288 174.990 174.700 0.003 0.000 0.992 267 T CA 0.053 62.151 62.100 -0.003 0.000 0.957 267 T CB 1.638 70.504 68.868 -0.003 0.000 0.942 267 T HN 0.218 nan 8.240 nan 0.000 0.439 268 T N 2.917 117.470 114.554 -0.001 0.000 2.871 268 T HA 0.082 4.432 4.350 -0.000 0.000 0.296 268 T C 1.779 176.481 174.700 0.004 0.000 0.998 268 T CA -0.045 62.051 62.100 -0.007 0.000 1.162 268 T CB 0.364 69.222 68.868 -0.015 0.000 0.947 268 T HN 0.591 nan 8.240 nan 0.000 0.536 269 V N 1.173 121.094 119.914 0.011 0.000 2.795 269 V HA 0.367 4.487 4.120 -0.000 0.000 0.243 269 V C 0.878 176.964 176.094 -0.013 0.000 1.069 269 V CA 0.824 63.140 62.300 0.027 0.000 1.089 269 V CB 0.252 32.139 31.823 0.106 0.000 0.756 269 V HN 0.822 nan 8.190 nan 0.000 0.471 270 T N 0.316 114.837 114.554 -0.055 0.000 3.012 270 T HA 0.454 4.804 4.350 -0.000 0.000 0.330 270 T C -1.863 172.787 174.700 -0.084 0.000 1.321 270 T CA -0.429 61.630 62.100 -0.067 0.000 1.067 270 T CB 2.096 70.919 68.868 -0.076 0.000 1.235 270 T HN 0.455 nan 8.240 nan 0.000 0.479 271 E N 2.585 122.751 120.200 -0.057 0.000 2.241 271 E HA 0.539 4.889 4.350 -0.000 0.000 0.263 271 E C -0.624 175.954 176.600 -0.037 0.000 0.882 271 E CA -0.591 55.779 56.400 -0.050 0.000 0.769 271 E CB 2.034 31.712 29.700 -0.036 0.000 1.185 271 E HN 0.678 nan 8.360 nan 0.000 0.415 272 V N 0.345 120.239 119.914 -0.034 0.000 2.960 272 V HA 0.802 4.922 4.120 -0.000 0.000 0.315 272 V C -0.440 175.643 176.094 -0.019 0.000 1.087 272 V CA -0.907 61.381 62.300 -0.020 0.000 0.982 272 V CB 2.125 33.942 31.823 -0.009 0.000 1.039 272 V HN 0.665 nan 8.190 nan 0.000 0.437 273 K N 1.738 122.129 120.400 -0.014 0.000 2.533 273 K HA 0.758 5.078 4.320 -0.000 0.000 0.272 273 K C -1.570 175.024 176.600 -0.009 0.000 0.985 273 K CA -0.853 55.425 56.287 -0.015 0.000 0.876 273 K CB 2.644 35.135 32.500 -0.016 0.000 1.452 273 K HN 0.851 nan 8.250 nan 0.000 0.439 274 Q N 1.526 121.320 119.800 -0.010 0.000 2.313 274 Q HA 0.120 4.460 4.340 -0.000 0.000 0.260 274 Q C -1.362 174.634 176.000 -0.006 0.000 0.972 274 Q CA -0.676 55.124 55.803 -0.005 0.000 0.886 274 Q CB 2.034 30.771 28.738 -0.002 0.000 1.373 274 Q HN 0.583 nan 8.270 nan 0.000 0.416 275 Q N 1.819 121.617 119.800 -0.003 0.000 2.313 275 Q HA 0.396 4.736 4.340 -0.000 0.000 0.266 275 Q C 0.000 176.000 176.000 0.000 0.000 0.989 275 Q CA -0.002 55.800 55.803 -0.002 0.000 0.890 275 Q CB 1.264 30.001 28.738 -0.001 0.000 1.200 275 Q HN 0.511 nan 8.270 nan 0.000 0.396 276 V N -1.230 118.684 119.914 0.000 0.000 3.130 276 V HA 0.780 4.900 4.120 -0.000 0.000 0.310 276 V C -0.444 175.652 176.094 0.004 0.000 1.158 276 V CA -0.960 61.342 62.300 0.004 0.000 1.029 276 V CB 2.314 34.139 31.823 0.003 0.000 1.057 276 V HN 0.662 nan 8.190 nan 0.000 0.436 277 T N 3.415 117.973 114.554 0.007 0.000 2.786 277 T HA 0.636 4.986 4.350 -0.000 0.000 0.283 277 T C -0.282 174.424 174.700 0.009 0.000 0.992 277 T CA -0.289 61.815 62.100 0.007 0.000 0.954 277 T CB 0.946 69.819 68.868 0.008 0.000 0.934 277 T HN 0.658 nan 8.240 nan 0.000 0.440 278 L N 4.150 125.378 121.223 0.008 0.000 2.380 278 L HA 0.358 4.698 4.340 -0.000 0.000 0.273 278 L C 0.941 177.817 176.870 0.011 0.000 1.138 278 L CA -0.620 54.225 54.840 0.007 0.000 0.832 278 L CB 0.502 42.566 42.059 0.007 0.000 1.124 278 L HN 0.659 nan 8.230 nan 0.000 0.454 279 Q N 3.053 122.860 119.800 0.011 0.000 2.215 279 Q HA 0.555 4.895 4.340 -0.000 0.000 0.256 279 Q C -2.642 173.367 176.000 0.015 0.000 0.972 279 Q CA -2.409 53.403 55.803 0.014 0.000 0.889 279 Q CB 0.973 29.721 28.738 0.016 0.000 1.281 279 Q HN 0.270 nan 8.270 nan 0.000 0.456 280 P HA 0.006 nan 4.420 nan 0.000 0.265 280 P C 0.433 177.744 177.300 0.019 0.000 1.187 280 P CA 1.874 64.987 63.100 0.022 0.000 0.766 280 P CB 0.369 32.082 31.700 0.022 0.000 0.820 281 G N 1.324 110.136 108.800 0.021 0.000 2.512 281 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.254 281 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.254 281 G C -0.347 174.546 174.900 -0.010 0.000 1.199 281 G CA -0.248 44.860 45.100 0.014 0.000 0.941 281 G HN 0.497 nan 8.290 nan 0.000 0.569 282 I N 2.542 123.096 120.570 -0.026 0.000 2.471 282 I HA 0.410 4.579 4.170 -0.000 0.000 0.286 282 I C 0.467 176.512 176.117 -0.119 0.000 1.079 282 I CA -0.746 60.499 61.300 -0.092 0.000 1.398 282 I CB 0.437 38.388 38.000 -0.082 0.000 1.403 282 I HN 0.540 nan 8.210 nan 0.000 0.530 283 N N 3.474 122.060 118.700 -0.189 0.000 2.284 283 N HA 0.432 5.172 4.740 -0.000 0.000 0.300 283 N C -1.130 174.218 175.510 -0.270 0.000 1.047 283 N CA -0.645 52.322 53.050 -0.137 0.000 0.821 283 N CB 1.886 40.338 38.487 -0.059 0.000 1.337 283 N HN 0.657 nan 8.380 nan 0.000 0.482 284 H N 2.147 121.232 119.070 0.025 0.000 2.511 284 H HA 0.472 5.028 4.556 -0.000 0.000 0.328 284 H C -0.381 174.963 175.328 0.027 0.000 1.044 284 H CA -0.212 55.856 56.048 0.032 0.000 1.212 284 H CB 1.697 31.478 29.762 0.032 0.000 1.428 284 H HN 0.406 nan 8.280 nan 0.000 0.483 285 I N 2.248 122.890 120.570 0.121 0.000 2.545 285 I HA 0.210 4.380 4.170 -0.000 0.000 0.292 285 I C -0.100 176.068 176.117 0.084 0.000 1.040 285 I CA -0.385 60.961 61.300 0.076 0.000 1.068 285 I CB 2.322 40.342 38.000 0.033 0.000 1.251 285 I HN 0.387 nan 8.210 nan 0.000 0.424 286 T N 6.658 121.251 114.554 0.064 0.000 2.841 286 T HA 0.687 5.037 4.350 -0.000 0.000 0.285 286 T C -0.793 173.931 174.700 0.040 0.000 0.991 286 T CA -0.490 61.645 62.100 0.058 0.000 0.966 286 T CB 1.173 70.069 68.868 0.046 0.000 0.962 286 T HN 0.090 nan 8.240 nan 0.000 0.438 287 L N 5.182 126.433 121.223 0.047 0.000 2.362 287 L HA 0.598 4.938 4.340 -0.000 0.000 0.275 287 L C -2.504 174.392 176.870 0.043 0.000 0.998 287 L CA -2.284 52.578 54.840 0.036 0.000 0.820 287 L CB 1.145 43.222 42.059 0.031 0.000 1.270 287 L HN 0.333 nan 8.230 nan 0.000 0.415 288 P HA 0.680 nan 4.420 nan 0.000 0.279 288 P C -1.274 176.046 177.300 0.032 0.000 1.252 288 P CA -0.594 62.520 63.100 0.024 0.000 0.811 288 P CB 1.499 33.204 31.700 0.009 0.000 1.035 289 A N 0.690 123.533 122.820 0.040 0.000 2.594 289 A HA 0.595 4.915 4.320 -0.000 0.000 0.295 289 A C -1.421 176.177 177.584 0.022 0.000 1.071 289 A CA -0.594 51.461 52.037 0.031 0.000 0.685 289 A CB 1.352 20.379 19.000 0.044 0.000 1.285 289 A HN 0.514 nan 8.150 nan 0.000 0.405 290 E N 0.602 120.801 120.200 -0.003 0.000 2.248 290 E HA 0.546 4.896 4.350 -0.000 0.000 0.267 290 E C -1.400 175.182 176.600 -0.030 0.000 0.877 290 E CA -0.917 55.477 56.400 -0.009 0.000 0.759 290 E CB 2.569 32.265 29.700 -0.008 0.000 1.182 290 E HN 0.311 nan 8.360 nan 0.000 0.418 291 V N 2.334 122.224 119.914 -0.040 0.000 2.357 291 V HA 0.216 4.336 4.120 -0.000 0.000 0.284 291 V C 0.331 176.413 176.094 -0.019 0.000 1.018 291 V CA -0.719 61.545 62.300 -0.061 0.000 0.841 291 V CB 1.288 33.003 31.823 -0.180 0.000 0.991 291 V HN 0.817 nan 8.190 nan 0.000 0.437 292 T N 1.344 115.900 114.554 0.004 0.000 2.897 292 T HA 0.324 4.674 4.350 -0.000 0.000 0.294 292 T C 0.423 175.147 174.700 0.040 0.000 1.004 292 T CA -0.276 61.835 62.100 0.019 0.000 1.106 292 T CB 0.060 68.938 68.868 0.017 0.000 0.949 292 T HN 0.804 nan 8.240 nan 0.000 0.520 293 N N 1.004 119.729 118.700 0.042 0.000 2.725 293 N HA -0.121 4.619 4.740 -0.000 0.000 0.251 293 N C -2.512 173.054 175.510 0.094 0.000 1.031 293 N CA 0.165 53.250 53.050 0.058 0.000 0.720 293 N CB -1.073 37.446 38.487 0.053 0.000 0.930 293 N HN 0.653 nan 8.380 nan 0.000 0.543 294 P HA 0.041 nan 4.420 nan 0.000 0.268 294 P C -0.113 177.311 177.300 0.207 0.000 1.205 294 P CA 0.060 63.248 63.100 0.146 0.000 0.771 294 P CB 0.932 32.666 31.700 0.056 0.000 0.858 295 V N 4.992 125.111 119.914 0.343 0.000 2.385 295 V HA 0.209 4.329 4.120 -0.000 0.000 0.269 295 V C 1.278 177.552 176.094 0.301 0.000 1.043 295 V CA -0.394 62.058 62.300 0.254 0.000 0.906 295 V CB 0.063 31.984 31.823 0.163 0.000 0.995 295 V HN 0.488 nan 8.190 nan 0.000 0.467 296 R N 2.891 123.522 120.500 0.218 0.000 2.594 296 R HA 0.134 4.474 4.340 -0.000 0.000 0.272 296 R C -0.458 176.015 176.300 0.288 0.000 1.074 296 R CA -0.379 55.869 56.100 0.246 0.000 1.105 296 R CB 0.917 31.332 30.300 0.191 0.000 1.008 296 R HN 0.778 nan 8.270 nan 0.000 0.472 297 W N 5.036 126.419 121.300 0.138 0.000 2.356 297 W HA 0.136 4.796 4.660 -0.000 0.000 0.311 297 W C -0.902 175.691 176.519 0.124 0.000 1.328 297 W CA -0.470 56.945 57.345 0.117 0.000 1.251 297 W CB 0.649 30.172 29.460 0.105 0.000 1.280 297 W HN 0.282 nan 8.180 nan 0.000 0.524 298 M N 9.353 128.825 119.600 -0.214 0.000 2.472 298 M HA 0.403 4.883 4.480 -0.000 0.000 0.331 298 M C -2.137 173.728 176.300 -0.726 0.000 1.170 298 M CA -2.995 52.186 55.300 -0.198 0.000 1.009 298 M CB 0.773 33.364 32.600 -0.015 0.000 1.672 298 M HN 0.269 nan 8.290 nan 0.000 0.453 299 P HA 0.111 nan 4.420 nan 0.000 0.274 299 P C -0.513 176.576 177.300 -0.351 0.000 1.246 299 P CA -0.459 62.336 63.100 -0.509 0.000 0.795 299 P CB 0.365 31.890 31.700 -0.292 0.000 1.006 300 N N 0.258 118.780 118.700 -0.296 0.000 2.411 300 N HA 0.173 4.913 4.740 -0.000 0.000 0.261 300 N C 1.401 176.817 175.510 -0.158 0.000 1.248 300 N CA 2.016 54.954 53.050 -0.186 0.000 0.885 300 N CB -0.614 37.797 38.487 -0.127 0.000 1.062 300 N HN 0.756 nan 8.380 nan 0.000 0.471 301 G N 2.583 111.350 108.800 -0.056 0.000 2.254 301 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.225 301 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.225 301 G C 0.417 175.456 174.900 0.231 0.000 1.003 301 G CA 0.170 45.290 45.100 0.034 0.000 0.622 301 G HN 0.567 nan 8.290 nan 0.000 0.507 302 W N 1.747 123.007 121.300 -0.066 0.000 3.220 302 W HA 0.584 5.244 4.660 -0.000 0.000 0.328 302 W C 1.296 177.775 176.519 -0.066 0.000 1.205 302 W CA 0.543 57.858 57.345 -0.051 0.000 1.773 302 W CB 0.210 29.646 29.460 -0.040 0.000 1.086 302 W HN 1.134 nan 8.180 nan 0.000 0.622 303 G N -0.517 108.342 108.800 0.098 0.000 2.302 303 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.264 303 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.264 303 G C -0.845 174.020 174.900 -0.057 0.000 1.335 303 G CA -0.948 44.164 45.100 0.021 0.000 0.982 303 G HN -0.270 nan 8.290 nan 0.000 0.473 304 T N 3.331 117.846 114.554 -0.064 0.000 2.851 304 T HA 0.506 4.856 4.350 -0.000 0.000 0.298 304 T C -2.101 172.476 174.700 -0.206 0.000 0.977 304 T CA -0.384 61.657 62.100 -0.100 0.000 1.126 304 T CB 1.654 70.494 68.868 -0.047 0.000 0.916 304 T HN 0.430 nan 8.240 nan 0.000 0.529 305 P HA 0.119 nan 4.420 nan 0.000 0.230 305 P C -0.279 176.973 177.300 -0.080 0.000 1.791 305 P CA -0.460 62.284 63.100 -0.593 0.000 1.020 305 P CB -0.967 30.435 31.700 -0.497 0.000 1.977 306 T N 2.848 117.428 114.554 0.044 0.000 2.831 306 T HA 0.111 4.461 4.350 -0.000 0.000 0.291 306 T C 0.532 175.415 174.700 0.306 0.000 0.981 306 T CA 0.494 62.677 62.100 0.139 0.000 1.174 306 T CB 0.018 68.958 68.868 0.120 0.000 0.929 306 T HN 0.167 nan 8.240 nan 0.000 0.532 307 L N 3.762 125.101 121.223 0.194 0.000 2.333 307 L HA 0.480 4.820 4.340 -0.000 0.000 0.280 307 L C -0.398 176.556 176.870 0.140 0.000 1.004 307 L CA -1.100 53.881 54.840 0.235 0.000 0.820 307 L CB 0.992 43.177 42.059 0.210 0.000 1.247 307 L HN 0.613 nan 8.230 nan 0.000 0.416 308 Y N 0.863 121.287 120.300 0.207 0.000 2.307 308 Y HA 0.192 4.742 4.550 -0.001 0.000 0.324 308 Y C 0.342 176.409 175.900 0.278 0.000 1.238 308 Y CA -0.461 57.784 58.100 0.242 0.000 1.280 308 Y CB 0.950 39.634 38.460 0.372 0.000 1.248 308 Y HN 0.461 nan 8.280 nan 0.000 0.508 309 D N 2.676 123.293 120.400 0.362 0.000 2.359 309 D HA 0.172 4.812 4.640 -0.000 0.000 0.230 309 D C -1.243 175.252 176.300 0.324 0.000 1.118 309 D CA -0.013 54.163 54.000 0.293 0.000 0.844 309 D CB 0.646 41.533 40.800 0.146 0.000 1.059 309 D HN 0.219 nan 8.370 nan 0.000 0.493 310 F N 1.214 121.253 119.950 0.148 0.000 2.388 310 F HA 0.182 4.709 4.527 0.001 0.000 0.358 310 F C 0.833 176.769 175.800 0.227 0.000 1.122 310 F CA -0.654 57.455 58.000 0.183 0.000 1.056 310 F CB 1.701 40.810 39.000 0.182 0.000 1.155 310 F HN 0.016 nan 8.300 nan 0.000 0.461 311 S N 3.298 119.146 115.700 0.247 0.000 2.498 311 S HA 0.850 5.320 4.470 -0.000 0.000 0.317 311 S C -0.683 173.920 174.600 0.005 0.000 1.090 311 S CA -0.491 57.789 58.200 0.132 0.000 1.089 311 S CB 0.677 63.906 63.200 0.049 0.000 0.997 311 S HN 0.735 nan 8.310 nan 0.000 0.470 312 A N 4.756 127.474 122.820 -0.170 0.000 2.288 312 A HA 0.701 5.021 4.320 -0.000 0.000 0.320 312 A C -0.437 177.007 177.584 -0.233 0.000 1.217 312 A CA -0.621 51.187 52.037 -0.382 0.000 0.840 312 A CB 0.827 19.205 19.000 -1.038 0.000 1.179 312 A HN 0.841 nan 8.150 nan 0.000 0.504 313 Q N 1.580 121.286 119.800 -0.158 0.000 2.353 313 Q HA 0.479 4.819 4.340 -0.000 0.000 0.268 313 Q C -1.120 174.828 176.000 -0.087 0.000 1.045 313 Q CA -0.808 54.935 55.803 -0.101 0.000 0.811 313 Q CB 2.438 31.137 28.738 -0.064 0.000 1.305 313 Q HN 0.642 nan 8.270 nan 0.000 0.447 314 I N 2.047 122.576 120.570 -0.067 0.000 2.307 314 I HA 0.417 4.587 4.170 -0.000 0.000 0.289 314 I C -0.152 175.951 176.117 -0.024 0.000 1.021 314 I CA -0.473 60.800 61.300 -0.044 0.000 1.224 314 I CB 0.545 38.522 38.000 -0.038 0.000 1.376 314 I HN 0.553 nan 8.210 nan 0.000 0.470 315 A N 6.275 129.083 122.820 -0.020 0.000 2.260 315 A HA 0.532 4.852 4.320 -0.000 0.000 0.314 315 A C -0.404 177.178 177.584 -0.004 0.000 1.257 315 A CA -0.298 51.733 52.037 -0.011 0.000 0.871 315 A CB 0.445 19.437 19.000 -0.013 0.000 1.166 315 A HN 0.770 nan 8.150 nan 0.000 0.522 316 C N 3.394 122.696 119.300 0.003 0.000 2.294 316 C HA 0.723 5.183 4.460 -0.000 0.000 0.319 316 C C 1.316 176.310 174.990 0.006 0.000 1.164 316 C CA 0.456 59.478 59.018 0.007 0.000 1.497 316 C CB -0.579 27.169 27.740 0.014 0.000 2.061 316 C HN 1.715 nan 8.230 nan 0.000 0.438 317 G N 4.682 113.484 108.800 0.003 0.000 2.561 317 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.289 317 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.289 317 G C 0.273 175.174 174.900 0.001 0.000 1.169 317 G CA 0.816 45.917 45.100 0.002 0.000 0.980 317 G HN 0.781 nan 8.290 nan 0.000 0.550 318 D N 0.820 121.221 120.400 0.002 0.000 2.463 318 D HA 0.279 4.919 4.640 -0.000 0.000 0.224 318 D C 0.831 177.132 176.300 0.003 0.000 1.174 318 D CA -0.153 53.847 54.000 0.001 0.000 0.829 318 D CB -0.109 40.691 40.800 0.000 0.000 0.993 318 D HN 0.643 nan 8.370 nan 0.000 0.497 319 R N 0.552 121.056 120.500 0.005 0.000 2.265 319 R HA 0.362 4.702 4.340 -0.000 0.000 0.319 319 R C -0.204 176.101 176.300 0.008 0.000 1.006 319 R CA -0.812 55.293 56.100 0.009 0.000 0.880 319 R CB 1.503 31.812 30.300 0.015 0.000 1.077 319 R HN 0.066 nan 8.270 nan 0.000 0.454 320 I N 5.474 126.047 120.570 0.006 0.000 2.260 320 I HA -0.025 4.145 4.170 -0.000 0.000 0.297 320 I C 1.622 177.746 176.117 0.012 0.000 1.143 320 I CA 0.049 61.349 61.300 0.001 0.000 1.271 320 I CB 0.464 38.461 38.000 -0.006 0.000 1.461 320 I HN 0.576 nan 8.210 nan 0.000 0.530 321 V N 3.110 123.034 119.914 0.018 0.000 2.871 321 V HA 0.346 4.466 4.120 -0.000 0.000 0.256 321 V C 0.883 176.998 176.094 0.035 0.000 1.082 321 V CA 0.783 63.109 62.300 0.044 0.000 1.105 321 V CB -0.481 31.379 31.823 0.061 0.000 0.713 321 V HN 0.669 nan 8.190 nan 0.000 0.473 322 A N -0.340 122.479 122.820 -0.003 0.000 2.547 322 A HA 0.763 5.083 4.320 -0.000 0.000 0.297 322 A C -0.961 176.591 177.584 -0.053 0.000 1.056 322 A CA -0.454 51.562 52.037 -0.035 0.000 0.688 322 A CB 1.975 20.939 19.000 -0.060 0.000 1.282 322 A HN 0.261 nan 8.150 nan 0.000 0.400 323 E N 0.972 121.136 120.200 -0.060 0.000 2.321 323 E HA 0.552 4.902 4.350 -0.000 0.000 0.278 323 E C -1.850 174.706 176.600 -0.074 0.000 0.902 323 E CA -0.301 56.057 56.400 -0.070 0.000 0.758 323 E CB 2.213 31.886 29.700 -0.045 0.000 1.213 323 E HN 0.682 nan 8.360 nan 0.000 0.426 324 Q N 1.420 121.164 119.800 -0.093 0.000 2.289 324 Q HA 0.510 4.850 4.340 -0.000 0.000 0.270 324 Q C -1.875 174.113 176.000 -0.020 0.000 1.038 324 Q CA -0.379 55.382 55.803 -0.071 0.000 0.812 324 Q CB 2.127 30.846 28.738 -0.032 0.000 1.300 324 Q HN 0.323 nan 8.270 nan 0.000 0.427 325 S N 2.831 118.472 115.700 -0.097 0.000 2.513 325 S HA 0.685 5.155 4.470 -0.000 0.000 0.299 325 S C -1.489 172.927 174.600 -0.306 0.000 1.087 325 S CA -0.612 57.564 58.200 -0.041 0.000 1.012 325 S CB 0.703 63.899 63.200 -0.008 0.000 1.044 325 S HN 0.569 nan 8.310 nan 0.000 0.485 326 H N 1.486 120.633 119.070 0.129 0.000 2.768 326 H HA 0.383 4.939 4.556 0.000 0.000 0.371 326 H C -0.438 174.915 175.328 0.042 0.000 1.151 326 H CA -0.725 55.311 56.048 -0.019 0.000 1.165 326 H CB 1.304 30.944 29.762 -0.203 0.000 1.722 326 H HN 0.418 nan 8.280 nan 0.000 0.543 327 R N 1.976 122.557 120.500 0.134 0.000 2.298 327 R HA 0.317 4.657 4.340 -0.000 0.000 0.310 327 R C -0.265 176.060 176.300 0.041 0.000 1.068 327 R CA -0.371 55.805 56.100 0.126 0.000 0.957 327 R CB 0.663 31.028 30.300 0.109 0.000 1.003 327 R HN 0.335 nan 8.270 nan 0.000 0.454 328 I N 1.922 122.543 120.570 0.085 0.000 2.466 328 I HA 0.275 4.445 4.170 -0.000 0.000 0.289 328 I C 0.552 176.711 176.117 0.070 0.000 1.026 328 I CA -0.504 60.748 61.300 -0.080 0.000 1.078 328 I CB 1.736 39.472 38.000 -0.441 0.000 1.249 328 I HN 0.657 nan 8.210 nan 0.000 0.429 329 G N 6.646 115.402 108.800 -0.072 0.000 2.343 329 G HA2 0.626 4.586 3.960 -0.000 0.000 0.319 329 G HA3 0.626 4.586 3.960 -0.000 0.000 0.319 329 G C -0.597 174.310 174.900 0.013 0.000 1.126 329 G CA -0.512 44.611 45.100 0.037 0.000 0.889 329 G HN 0.486 nan 8.290 nan 0.000 0.457 330 L N 4.136 125.464 121.223 0.175 0.000 2.268 330 L HA 0.578 4.918 4.340 -0.000 0.000 0.289 330 L C 0.420 177.385 176.870 0.158 0.000 1.064 330 L CA -0.783 54.113 54.840 0.094 0.000 0.824 330 L CB 0.215 42.319 42.059 0.075 0.000 1.202 330 L HN 0.615 nan 8.230 nan 0.000 0.433 331 R N 1.689 122.246 120.500 0.094 0.000 2.712 331 R HA 0.533 4.873 4.340 -0.000 0.000 0.272 331 R C -1.161 175.188 176.300 0.082 0.000 1.032 331 R CA -0.729 55.462 56.100 0.153 0.000 0.874 331 R CB 1.189 31.669 30.300 0.301 0.000 1.256 331 R HN 0.352 nan 8.270 nan 0.000 0.468 332 T N -0.783 113.836 114.554 0.108 0.000 2.823 332 T HA 0.738 5.088 4.350 -0.000 0.000 0.279 332 T C 0.256 175.020 174.700 0.106 0.000 0.998 332 T CA -0.744 61.401 62.100 0.076 0.000 0.994 332 T CB 0.892 69.798 68.868 0.064 0.000 0.960 332 T HN 0.474 nan 8.240 nan 0.000 0.448 333 I N 2.518 123.130 120.570 0.070 0.000 2.447 333 I HA 0.516 4.686 4.170 -0.000 0.000 0.287 333 I C 0.016 176.144 176.117 0.018 0.000 1.023 333 I CA -0.867 60.485 61.300 0.086 0.000 1.083 333 I CB 1.968 40.027 38.000 0.097 0.000 1.245 333 I HN 0.508 nan 8.210 nan 0.000 0.434 334 R N 5.743 126.226 120.500 -0.029 0.000 2.502 334 R HA 0.553 4.893 4.340 -0.000 0.000 0.300 334 R C -1.661 174.416 176.300 -0.373 0.000 0.984 334 R CA -0.590 55.415 56.100 -0.158 0.000 0.882 334 R CB 2.276 32.503 30.300 -0.123 0.000 1.180 334 R HN 0.404 nan 8.270 nan 0.000 0.444 335 V N 5.324 124.853 119.914 -0.642 0.000 2.408 335 V HA 0.182 4.302 4.120 -0.000 0.000 0.267 335 V C 0.193 175.618 176.094 -1.115 0.000 1.047 335 V CA -0.536 61.033 62.300 -1.217 0.000 0.937 335 V CB 1.371 32.058 31.823 -1.894 0.000 0.999 335 V HN 0.419 nan 8.190 nan 0.000 0.472 336 V N 5.583 124.811 119.914 -1.143 0.000 2.385 336 V HA 0.323 4.443 4.120 -0.000 0.000 0.269 336 V C 0.418 176.023 176.094 -0.815 0.000 1.043 336 V CA -0.303 61.425 62.300 -0.953 0.000 0.906 336 V CB 0.915 32.027 31.823 -1.186 0.000 0.995 336 V HN 0.953 nan 8.190 nan 0.000 0.467 337 N N 4.415 122.797 118.700 -0.529 0.000 2.648 337 N HA 0.384 5.124 4.740 -0.000 0.000 0.261 337 N C -0.992 174.466 175.510 -0.087 0.000 1.138 337 N CA -0.286 52.597 53.050 -0.278 0.000 0.804 337 N CB 1.236 39.536 38.487 -0.311 0.000 1.237 337 N HN 0.791 nan 8.380 nan 0.000 0.532 338 E N 1.416 121.610 120.200 -0.011 0.000 2.383 338 E HA 0.246 4.596 4.350 -0.000 0.000 0.275 338 E C -1.070 175.577 176.600 0.078 0.000 0.918 338 E CA -0.828 55.588 56.400 0.026 0.000 0.764 338 E CB 2.380 32.083 29.700 0.005 0.000 1.252 338 E HN 0.259 nan 8.360 nan 0.000 0.449 339 K N 2.251 122.698 120.400 0.078 0.000 2.451 339 K HA 0.037 4.357 4.320 -0.000 0.000 0.280 339 K C -0.500 176.150 176.600 0.084 0.000 1.020 339 K CA 0.654 56.994 56.287 0.088 0.000 1.008 339 K CB 0.162 32.708 32.500 0.077 0.000 0.917 339 K HN 0.432 nan 8.250 nan 0.000 0.478 340 D N 0.660 121.116 120.400 0.093 0.000 2.798 340 D HA 0.053 4.693 4.640 -0.000 0.000 0.308 340 D C 0.387 176.742 176.300 0.093 0.000 1.187 340 D CA -0.885 53.170 54.000 0.090 0.000 1.033 340 D CB 0.267 41.127 40.800 0.099 0.000 1.445 340 D HN 0.327 nan 8.370 nan 0.000 0.550 341 K N -0.912 119.545 120.400 0.095 0.000 2.280 341 K HA -0.079 4.241 4.320 -0.000 0.000 0.202 341 K C 0.063 176.736 176.600 0.121 0.000 1.047 341 K CA 1.292 57.638 56.287 0.098 0.000 0.942 341 K CB -0.212 32.344 32.500 0.094 0.000 0.739 341 K HN 0.244 nan 8.250 nan 0.000 0.457 342 D N 0.153 120.637 120.400 0.140 0.000 2.349 342 D HA 0.126 4.766 4.640 -0.000 0.000 0.214 342 D C 0.978 177.371 176.300 0.154 0.000 1.063 342 D CA 0.836 54.950 54.000 0.190 0.000 0.847 342 D CB 1.236 42.187 40.800 0.252 0.000 0.933 342 D HN 0.528 nan 8.370 nan 0.000 0.513 343 G N 1.317 110.189 108.800 0.121 0.000 2.039 343 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.207 343 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.207 343 G C -0.906 174.067 174.900 0.121 0.000 1.133 343 G CA -0.720 44.450 45.100 0.117 0.000 1.296 343 G HN 0.186 nan 8.290 nan 0.000 0.459 344 E N 0.976 121.257 120.200 0.135 0.000 2.281 344 E HA 0.518 4.867 4.350 -0.000 0.000 0.266 344 E C -0.086 176.627 176.600 0.189 0.000 0.893 344 E CA -0.049 56.457 56.400 0.177 0.000 0.798 344 E CB 2.035 31.898 29.700 0.271 0.000 1.245 344 E HN 0.768 nan 8.360 nan 0.000 0.410 345 S N 2.103 117.905 115.700 0.171 0.000 2.589 345 S HA 0.370 4.840 4.470 -0.000 0.000 0.265 345 S C -0.210 174.558 174.600 0.280 0.000 1.342 345 S CA -0.304 58.025 58.200 0.214 0.000 1.005 345 S CB 0.585 63.945 63.200 0.267 0.000 0.909 345 S HN 0.517 nan 8.310 nan 0.000 0.555 346 F N 2.653 122.675 119.950 0.121 0.000 3.361 346 F HA 0.439 4.966 4.527 0.000 0.000 0.390 346 F C -1.291 174.541 175.800 0.053 0.000 1.251 346 F CA -0.724 57.249 58.000 -0.045 0.000 1.260 346 F CB 0.672 39.691 39.000 0.031 0.000 1.847 346 F HN 0.809 nan 8.300 nan 0.000 0.673 347 Y N 1.676 121.797 120.300 -0.299 0.000 2.615 347 Y HA 0.781 5.330 4.550 -0.000 0.000 0.341 347 Y C -1.879 173.769 175.900 -0.420 0.000 1.089 347 Y CA -2.287 55.737 58.100 -0.127 0.000 1.049 347 Y CB 1.111 39.623 38.460 0.086 0.000 1.296 347 Y HN 0.181 nan 8.280 nan 0.000 0.470 348 F N 1.340 121.318 119.950 0.046 0.000 2.408 348 F HA 0.379 4.906 4.527 -0.000 0.000 0.344 348 F C 0.254 176.141 175.800 0.146 0.000 1.112 348 F CA -0.572 57.401 58.000 -0.043 0.000 1.096 348 F CB 1.543 40.534 39.000 -0.015 0.000 1.129 348 F HN 0.551 nan 8.300 nan 0.000 0.486 349 E N 3.411 123.721 120.200 0.184 0.000 2.113 349 E HA 0.496 4.846 4.350 -0.000 0.000 0.273 349 E C -1.623 175.124 176.600 0.244 0.000 0.924 349 E CA -0.521 56.029 56.400 0.250 0.000 0.764 349 E CB 1.564 31.345 29.700 0.135 0.000 1.104 349 E HN 0.445 nan 8.360 nan 0.000 0.406 350 V N 5.296 125.419 119.914 0.347 0.000 2.448 350 V HA 0.188 4.308 4.120 -0.000 0.000 0.295 350 V C 0.174 176.489 176.094 0.369 0.000 1.025 350 V CA -0.977 61.539 62.300 0.361 0.000 0.859 350 V CB 1.453 33.511 31.823 0.392 0.000 0.988 350 V HN 0.840 nan 8.190 nan 0.000 0.431 351 N N 3.989 122.846 118.700 0.262 0.000 2.716 351 N HA -0.239 4.501 4.740 -0.000 0.000 0.250 351 N C 1.229 176.825 175.510 0.142 0.000 1.033 351 N CA 1.494 54.658 53.050 0.190 0.000 0.727 351 N CB -0.920 37.686 38.487 0.198 0.000 0.950 351 N HN 1.543 nan 8.380 nan 0.000 0.541 352 G N -1.417 107.469 108.800 0.144 0.000 2.199 352 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.254 352 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.254 352 G C 0.087 175.066 174.900 0.131 0.000 0.982 352 G CA 0.426 45.593 45.100 0.112 0.000 0.632 352 G HN 0.493 nan 8.290 nan 0.000 0.529 353 I N 2.132 122.811 120.570 0.181 0.000 2.354 353 I HA 0.376 4.546 4.170 -0.000 0.000 0.292 353 I C -2.245 174.108 176.117 0.392 0.000 0.989 353 I CA -2.657 58.756 61.300 0.189 0.000 1.188 353 I CB 2.010 39.981 38.000 -0.047 0.000 1.342 353 I HN -0.191 nan 8.210 nan 0.000 0.457 354 P HA 0.094 nan 4.420 nan 0.000 0.267 354 P C -0.752 176.838 177.300 0.483 0.000 1.209 354 P CA -0.015 63.318 63.100 0.388 0.000 0.763 354 P CB 0.506 32.296 31.700 0.150 0.000 0.816 355 M N 5.382 125.244 119.600 0.437 0.000 2.125 355 M HA 0.373 4.853 4.480 -0.000 0.000 0.321 355 M C -1.116 175.304 176.300 0.200 0.000 0.983 355 M CA -1.169 54.268 55.300 0.229 0.000 0.934 355 M CB 0.654 33.157 32.600 -0.162 0.000 1.542 355 M HN 0.152 nan 8.290 nan 0.000 0.424 356 F N 4.461 124.444 119.950 0.055 0.000 2.506 356 F HA 0.488 5.015 4.527 -0.000 0.000 0.371 356 F C 0.125 175.866 175.800 -0.098 0.000 1.078 356 F CA -0.302 57.713 58.000 0.025 0.000 1.195 356 F CB 0.593 39.597 39.000 0.007 0.000 1.099 356 F HN 0.678 nan 8.300 nan 0.000 0.548 357 A N 6.961 129.549 122.820 -0.387 0.000 2.401 357 A HA 0.455 4.775 4.320 -0.000 0.000 0.259 357 A C -0.598 176.733 177.584 -0.420 0.000 1.103 357 A CA -0.512 51.325 52.037 -0.335 0.000 0.789 357 A CB 0.283 19.193 19.000 -0.150 0.000 1.035 357 A HN 0.831 nan 8.150 nan 0.000 0.491 358 K N 1.978 122.110 120.400 -0.446 0.000 2.613 358 K HA 0.587 4.907 4.320 -0.000 0.000 0.248 358 K C 0.044 176.229 176.600 -0.692 0.000 0.959 358 K CA -0.055 55.681 56.287 -0.920 0.000 0.855 358 K CB 2.099 33.779 32.500 -1.368 0.000 1.143 358 K HN 1.059 nan 8.250 nan 0.000 0.437 359 G N 1.064 109.659 108.800 -0.342 0.000 2.474 359 G HA2 0.734 4.694 3.960 -0.000 0.000 0.234 359 G HA3 0.734 4.694 3.960 -0.000 0.000 0.234 359 G C -1.777 172.957 174.900 -0.277 0.000 1.204 359 G CA -0.082 44.925 45.100 -0.154 0.000 0.939 359 G HN 0.634 nan 8.290 nan 0.000 0.491 360 A N -1.012 121.542 122.820 -0.442 0.000 2.599 360 A HA 0.756 5.076 4.320 -0.000 0.000 0.290 360 A C -1.330 175.952 177.584 -0.504 0.000 1.101 360 A CA -0.704 50.867 52.037 -0.777 0.000 0.674 360 A CB 0.975 19.185 19.000 -1.317 0.000 1.277 360 A HN 0.575 nan 8.150 nan 0.000 0.419 361 N N 0.452 118.806 118.700 -0.576 0.000 2.455 361 N HA 0.383 5.123 4.740 -0.000 0.000 0.280 361 N C -1.627 173.514 175.510 -0.615 0.000 1.055 361 N CA 0.167 52.913 53.050 -0.507 0.000 0.961 361 N CB 1.520 39.678 38.487 -0.550 0.000 1.121 361 N HN 0.634 nan 8.380 nan 0.000 0.476 362 Y N 3.464 123.462 120.300 -0.503 0.000 2.341 362 Y HA 0.473 5.023 4.550 0.000 0.000 0.337 362 Y C -0.146 175.485 175.900 -0.447 0.000 1.014 362 Y CA -0.858 56.963 58.100 -0.465 0.000 1.111 362 Y CB 0.618 38.917 38.460 -0.268 0.000 1.194 362 Y HN 0.443 nan 8.280 nan 0.000 0.462 363 I N 3.758 123.605 120.570 -1.205 0.000 3.100 363 I HA 0.761 4.931 4.170 -0.000 0.000 0.312 363 I C -2.782 172.575 176.117 -1.268 0.000 1.063 363 I CA -3.229 57.438 61.300 -1.055 0.000 1.031 363 I CB 1.745 38.963 38.000 -1.305 0.000 1.243 363 I HN 0.385 nan 8.210 nan 0.000 0.483 364 P HA 0.080 nan 4.420 nan 0.000 0.267 364 P C -0.644 176.369 177.300 -0.478 0.000 1.200 364 P CA 0.106 62.835 63.100 -0.619 0.000 0.772 364 P CB 0.395 31.664 31.700 -0.719 0.000 0.855 365 Q N 0.331 119.976 119.800 -0.258 0.000 2.403 365 Q HA 0.084 4.424 4.340 -0.000 0.000 0.203 365 Q C 0.092 176.132 176.000 0.066 0.000 0.932 365 Q CA 0.716 56.424 55.803 -0.158 0.000 0.945 365 Q CB 0.284 28.916 28.738 -0.177 0.000 1.045 365 Q HN 0.493 nan 8.270 nan 0.000 0.511 366 D N -2.308 118.168 120.400 0.126 0.000 2.663 366 D HA 0.217 4.857 4.640 -0.000 0.000 0.233 366 D C -0.502 175.988 176.300 0.316 0.000 1.240 366 D CA -0.072 54.103 54.000 0.292 0.000 0.774 366 D CB 1.480 42.465 40.800 0.309 0.000 1.443 366 D HN -0.065 nan 8.370 nan 0.000 0.441 367 A N 1.995 124.998 122.820 0.306 0.000 2.015 367 A HA 0.069 4.389 4.320 -0.000 0.000 0.219 367 A C 1.011 178.642 177.584 0.078 0.000 1.163 367 A CA 0.901 53.046 52.037 0.180 0.000 0.646 367 A CB -0.095 18.962 19.000 0.096 0.000 0.806 367 A HN 0.452 nan 8.150 nan 0.000 0.448 368 L N 0.669 121.972 121.223 0.132 0.000 2.313 368 L HA 0.299 4.639 4.340 -0.000 0.000 0.273 368 L C 0.677 177.633 176.870 0.143 0.000 1.028 368 L CA -0.482 54.393 54.840 0.058 0.000 0.871 368 L CB 1.233 43.293 42.059 0.002 0.000 1.242 368 L HN 0.234 nan 8.230 nan 0.000 0.434 369 L N 3.424 124.753 121.223 0.177 0.000 2.042 369 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 369 L C -0.401 176.647 176.870 0.296 0.000 1.076 369 L CA 1.528 56.539 54.840 0.286 0.000 0.749 369 L CB -1.084 41.218 42.059 0.404 0.000 0.893 369 L HN 0.535 nan 8.230 nan 0.000 0.432 370 P HA -0.051 nan 4.420 nan 0.000 0.234 370 P C 0.702 178.092 177.300 0.149 0.000 1.167 370 P CA 0.825 64.041 63.100 0.194 0.000 0.763 370 P CB -0.083 31.691 31.700 0.123 0.000 0.835 371 N N -0.748 118.036 118.700 0.140 0.000 2.459 371 N HA -0.036 4.704 4.740 -0.000 0.000 0.181 371 N C 0.144 175.740 175.510 0.142 0.000 1.046 371 N CA 0.452 53.578 53.050 0.127 0.000 0.904 371 N CB -0.503 38.061 38.487 0.129 0.000 0.964 371 N HN 0.042 nan 8.380 nan 0.000 0.444 372 V N 2.303 122.319 119.914 0.170 0.000 2.439 372 V HA 0.072 4.192 4.120 -0.000 0.000 0.271 372 V C 0.948 177.180 176.094 0.231 0.000 1.040 372 V CA -0.325 62.056 62.300 0.136 0.000 1.002 372 V CB 0.171 32.011 31.823 0.030 0.000 1.000 372 V HN 0.246 nan 8.190 nan 0.000 0.477 373 T N 1.200 115.861 114.554 0.179 0.000 2.881 373 T HA 0.189 4.539 4.350 -0.000 0.000 0.278 373 T C 1.340 176.223 174.700 0.305 0.000 0.982 373 T CA -0.006 62.217 62.100 0.204 0.000 0.989 373 T CB 1.232 70.176 68.868 0.128 0.000 1.058 373 T HN 0.528 nan 8.240 nan 0.000 0.529 374 T N 1.066 115.759 114.554 0.232 0.000 2.665 374 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 374 T C 1.799 176.623 174.700 0.207 0.000 1.035 374 T CA 2.052 64.280 62.100 0.213 0.000 1.151 374 T CB -0.554 68.379 68.868 0.108 0.000 0.862 374 T HN 0.765 nan 8.240 nan 0.000 0.438 375 E N 0.832 121.118 120.200 0.144 0.000 2.097 375 E HA -0.119 4.231 4.350 -0.000 0.000 0.196 375 E C 2.395 179.062 176.600 0.113 0.000 1.000 375 E CA 1.170 57.636 56.400 0.111 0.000 0.804 375 E CB -0.187 29.561 29.700 0.080 0.000 0.740 375 E HN 0.393 nan 8.360 nan 0.000 0.454 376 R N -0.854 119.708 120.500 0.103 0.000 2.075 376 R HA -0.106 4.234 4.340 -0.000 0.000 0.232 376 R C 2.196 178.518 176.300 0.037 0.000 1.126 376 R CA 1.294 57.410 56.100 0.026 0.000 0.963 376 R CB -0.394 29.878 30.300 -0.046 0.000 0.858 376 R HN 0.248 nan 8.270 nan 0.000 0.435 377 Y N 1.234 121.604 120.300 0.118 0.000 2.097 377 Y HA -0.298 4.252 4.550 0.000 0.000 0.282 377 Y C 2.595 178.610 175.900 0.191 0.000 1.152 377 Y CA 1.753 59.957 58.100 0.174 0.000 1.136 377 Y CB -0.358 38.206 38.460 0.173 0.000 0.975 377 Y HN 0.126 nan 8.280 nan 0.000 0.498 378 Q N -0.782 119.189 119.800 0.285 0.000 2.077 378 Q HA -0.214 4.126 4.340 -0.000 0.000 0.206 378 Q C 2.198 178.298 176.000 0.167 0.000 0.989 378 Q CA 2.403 58.319 55.803 0.188 0.000 0.853 378 Q CB -0.513 28.295 28.738 0.116 0.000 0.907 378 Q HN 0.444 nan 8.270 nan 0.000 0.418 379 T N 1.422 116.048 114.554 0.121 0.000 2.684 379 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 379 T C 1.717 176.459 174.700 0.071 0.000 1.036 379 T CA 1.149 63.302 62.100 0.088 0.000 1.148 379 T CB -0.349 68.553 68.868 0.057 0.000 0.863 379 T HN 0.113 nan 8.240 nan 0.000 0.436 380 L N 0.493 121.731 121.223 0.026 0.000 2.042 380 L HA 0.009 4.349 4.340 -0.000 0.000 0.210 380 L C 1.984 178.742 176.870 -0.187 0.000 1.076 380 L CA 1.655 56.437 54.840 -0.097 0.000 0.749 380 L CB -1.035 40.940 42.059 -0.141 0.000 0.893 380 L HN 0.214 nan 8.230 nan 0.000 0.432 381 F N -0.396 119.510 119.950 -0.073 0.000 2.171 381 F HA -0.167 4.361 4.527 0.000 0.000 0.300 381 F C 2.752 178.534 175.800 -0.030 0.000 1.090 381 F CA 1.609 59.547 58.000 -0.103 0.000 1.293 381 F CB -0.387 38.521 39.000 -0.153 0.000 1.013 381 F HN 0.076 nan 8.300 nan 0.000 0.486 382 R N 0.644 121.242 120.500 0.163 0.000 2.083 382 R HA -0.183 4.157 4.340 -0.000 0.000 0.237 382 R C 1.792 178.197 176.300 0.175 0.000 1.137 382 R CA 2.097 58.285 56.100 0.146 0.000 0.951 382 R CB -0.442 29.938 30.300 0.132 0.000 0.851 382 R HN 0.178 nan 8.270 nan 0.000 0.434 383 D N 0.203 120.698 120.400 0.157 0.000 2.123 383 D HA -0.203 4.437 4.640 -0.000 0.000 0.196 383 D C 1.967 178.346 176.300 0.132 0.000 0.992 383 D CA 1.516 55.630 54.000 0.190 0.000 0.833 383 D CB -0.152 40.606 40.800 -0.070 0.000 0.954 383 D HN 0.367 nan 8.370 nan 0.000 0.455 384 M N 0.193 119.792 119.600 -0.001 0.000 2.156 384 M HA -0.096 4.384 4.480 -0.000 0.000 0.264 384 M C 2.255 178.570 176.300 0.025 0.000 1.067 384 M CA 0.983 56.264 55.300 -0.032 0.000 1.131 384 M CB -0.103 32.382 32.600 -0.192 0.000 1.368 384 M HN -0.116 nan 8.290 nan 0.000 0.416 385 K N 0.938 121.375 120.400 0.060 0.000 2.032 385 K HA -0.195 4.125 4.320 -0.000 0.000 0.209 385 K C 1.638 178.297 176.600 0.098 0.000 1.048 385 K CA 1.679 58.010 56.287 0.072 0.000 0.927 385 K CB -0.047 32.503 32.500 0.084 0.000 0.712 385 K HN 0.347 nan 8.250 nan 0.000 0.441 386 E N -0.381 119.915 120.200 0.159 0.000 2.204 386 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 386 E C 1.408 178.128 176.600 0.201 0.000 0.990 386 E CA 0.859 57.392 56.400 0.222 0.000 0.821 386 E CB -0.015 29.900 29.700 0.357 0.000 0.750 386 E HN 0.384 nan 8.360 nan 0.000 0.477 387 A N 0.723 123.601 122.820 0.096 0.000 2.259 387 A HA -0.003 4.317 4.320 -0.000 0.000 0.208 387 A C 0.157 177.800 177.584 0.099 0.000 1.201 387 A CA 0.352 52.361 52.037 -0.046 0.000 0.824 387 A CB -0.529 18.218 19.000 -0.422 0.000 0.838 387 A HN 0.411 nan 8.150 nan 0.000 0.485 388 N N -1.972 116.789 118.700 0.101 0.000 2.818 388 N HA -0.152 4.588 4.740 -0.000 0.000 0.250 388 N C -0.233 175.295 175.510 0.030 0.000 1.108 388 N CA 0.772 53.875 53.050 0.089 0.000 0.745 388 N CB -1.497 37.070 38.487 0.133 0.000 1.104 388 N HN 0.602 nan 8.380 nan 0.000 0.557 389 M N 0.615 120.225 119.600 0.016 0.000 2.241 389 M HA 0.206 4.686 4.480 -0.000 0.000 0.335 389 M C 1.232 177.442 176.300 -0.149 0.000 1.122 389 M CA 0.151 55.389 55.300 -0.103 0.000 1.164 389 M CB 0.482 33.050 32.600 -0.054 0.000 1.459 389 M HN 0.261 nan 8.290 nan 0.000 0.461 390 N N 0.872 119.440 118.700 -0.219 0.000 2.118 390 N HA 0.279 5.019 4.740 -0.000 0.000 0.226 390 N C -0.648 174.761 175.510 -0.168 0.000 1.305 390 N CA -0.215 52.712 53.050 -0.205 0.000 0.890 390 N CB 0.797 39.105 38.487 -0.299 0.000 1.118 390 N HN 0.700 nan 8.380 nan 0.000 0.511 391 M N 0.498 119.996 119.600 -0.170 0.000 2.413 391 M HA 0.501 4.981 4.480 -0.000 0.000 0.287 391 M C -2.151 174.079 176.300 -0.118 0.000 1.186 391 M CA -0.887 54.333 55.300 -0.135 0.000 0.927 391 M CB 2.526 35.022 32.600 -0.174 0.000 1.715 391 M HN -0.161 nan 8.290 nan 0.000 0.478 392 V N 4.136 124.013 119.914 -0.063 0.000 2.709 392 V HA 0.650 4.770 4.120 -0.000 0.000 0.308 392 V C -1.339 174.754 176.094 -0.002 0.000 1.062 392 V CA -0.641 61.613 62.300 -0.076 0.000 0.901 392 V CB 2.283 34.043 31.823 -0.106 0.000 1.003 392 V HN 0.974 nan 8.190 nan 0.000 0.425 393 R N 6.134 126.584 120.500 -0.083 0.000 2.221 393 R HA 0.514 4.854 4.340 -0.000 0.000 0.327 393 R C -0.594 175.714 176.300 0.012 0.000 1.033 393 R CA -0.526 55.510 56.100 -0.108 0.000 0.887 393 R CB 0.745 30.766 30.300 -0.465 0.000 1.057 393 R HN 0.783 nan 8.270 nan 0.000 0.455 394 I N 6.287 126.902 120.570 0.076 0.000 2.293 394 I HA 0.040 4.210 4.170 -0.000 0.000 0.299 394 I C 0.095 176.302 176.117 0.150 0.000 1.153 394 I CA -0.305 61.046 61.300 0.085 0.000 1.302 394 I CB -0.121 37.842 38.000 -0.062 0.000 1.460 394 I HN 0.607 nan 8.210 nan 0.000 0.552 395 W N 5.998 127.276 121.300 -0.038 0.000 2.170 395 W HA 0.347 5.007 4.660 -0.000 0.000 0.336 395 W C 1.267 177.775 176.519 -0.018 0.000 1.283 395 W CA -0.555 56.808 57.345 0.030 0.000 1.224 395 W CB 0.953 30.506 29.460 0.155 0.000 1.132 395 W HN 0.514 nan 8.180 nan 0.000 0.571 396 G N 2.598 111.050 108.800 -0.579 0.000 2.882 396 G HA2 0.049 4.009 3.960 -0.000 0.000 0.206 396 G HA3 0.049 4.009 3.960 -0.000 0.000 0.206 396 G C 0.930 175.261 174.900 -0.948 0.000 1.155 396 G CA 0.329 45.064 45.100 -0.608 0.000 0.800 396 G HN 0.858 nan 8.290 nan 0.000 0.524 397 G N -0.494 107.189 108.800 -1.861 0.000 3.189 397 G HA2 0.430 4.390 3.960 -0.000 0.000 0.225 397 G HA3 0.430 4.390 3.960 -0.000 0.000 0.225 397 G C 0.839 175.445 174.900 -0.490 0.000 1.159 397 G CA 0.622 44.887 45.100 -1.392 0.000 0.763 397 G HN 0.493 nan 8.290 nan 0.000 0.549 398 G N 0.220 108.821 108.800 -0.332 0.000 3.434 398 G HA2 0.497 4.457 3.960 -0.000 0.000 0.192 398 G HA3 0.497 4.457 3.960 -0.000 0.000 0.192 398 G C 0.151 174.992 174.900 -0.098 0.000 1.704 398 G CA 0.628 45.632 45.100 -0.159 0.000 0.936 398 G HN 0.596 nan 8.290 nan 0.000 0.623 399 T N -2.889 111.615 114.554 -0.083 0.000 2.906 399 T HA 0.531 4.881 4.350 -0.000 0.000 0.295 399 T C -1.059 173.554 174.700 -0.146 0.000 1.075 399 T CA -0.738 61.358 62.100 -0.008 0.000 1.005 399 T CB 1.477 70.552 68.868 0.344 0.000 1.136 399 T HN 0.290 nan 8.240 nan 0.000 0.498 400 Y N 1.774 122.088 120.300 0.023 0.000 2.770 400 Y HA 0.212 4.762 4.550 0.000 0.000 0.342 400 Y C 1.454 177.503 175.900 0.248 0.000 1.221 400 Y CA -0.224 57.943 58.100 0.110 0.000 1.560 400 Y CB -0.083 38.442 38.460 0.109 0.000 1.213 400 Y HN 0.528 nan 8.280 nan 0.000 0.525 401 E N 2.806 123.196 120.200 0.316 0.000 2.410 401 E HA -0.038 4.312 4.350 -0.000 0.000 0.255 401 E C 0.175 177.024 176.600 0.415 0.000 1.194 401 E CA -0.224 56.317 56.400 0.235 0.000 0.955 401 E CB 0.397 29.842 29.700 -0.424 0.000 0.988 401 E HN 0.745 nan 8.360 nan 0.000 0.461 402 N N 1.029 119.898 118.700 0.282 0.000 2.317 402 N HA -0.020 4.720 4.740 -0.000 0.000 0.245 402 N C 0.513 176.159 175.510 0.227 0.000 1.294 402 N CA -0.192 52.962 53.050 0.173 0.000 0.924 402 N CB 0.193 38.689 38.487 0.015 0.000 1.186 402 N HN 0.205 nan 8.380 nan 0.000 0.495 403 N N -0.568 118.208 118.700 0.127 0.000 2.188 403 N HA -0.105 4.635 4.740 -0.000 0.000 0.184 403 N C 1.475 177.041 175.510 0.092 0.000 1.018 403 N CA 0.480 53.630 53.050 0.166 0.000 0.858 403 N CB -0.535 38.026 38.487 0.122 0.000 0.989 403 N HN 0.516 nan 8.380 nan 0.000 0.426 404 L N 0.645 121.837 121.223 -0.052 0.000 2.013 404 L HA -0.127 4.213 4.340 -0.000 0.000 0.212 404 L C 2.085 178.806 176.870 -0.249 0.000 1.073 404 L CA 1.394 56.127 54.840 -0.178 0.000 0.753 404 L CB -1.026 40.845 42.059 -0.313 0.000 0.890 404 L HN 0.061 nan 8.230 nan 0.000 0.432 405 F N -0.569 119.157 119.950 -0.373 0.000 2.045 405 F HA -0.404 4.123 4.527 -0.000 0.000 0.297 405 F C 2.174 177.657 175.800 -0.527 0.000 1.114 405 F CA 2.376 60.197 58.000 -0.299 0.000 1.207 405 F CB -0.595 38.259 39.000 -0.244 0.000 0.964 405 F HN 0.193 nan 8.300 nan 0.000 0.486 406 Y N 0.225 120.462 120.300 -0.106 0.000 2.293 406 Y HA -0.197 4.353 4.550 -0.000 0.000 0.291 406 Y C 2.387 178.005 175.900 -0.470 0.000 1.137 406 Y CA 1.196 59.035 58.100 -0.435 0.000 1.202 406 Y CB -0.835 37.002 38.460 -1.039 0.000 0.990 406 Y HN 0.092 nan 8.280 nan 0.000 0.537 407 D N 0.206 120.499 120.400 -0.178 0.000 2.117 407 D HA -0.155 4.485 4.640 -0.000 0.000 0.197 407 D C 2.163 178.308 176.300 -0.258 0.000 0.987 407 D CA 1.226 55.189 54.000 -0.062 0.000 0.829 407 D CB -0.393 40.399 40.800 -0.013 0.000 0.961 407 D HN 0.306 nan 8.370 nan 0.000 0.460 408 L N 0.606 121.483 121.223 -0.577 0.000 2.056 408 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 408 L C 2.545 178.782 176.870 -1.054 0.000 1.078 408 L CA 1.116 55.392 54.840 -0.939 0.000 0.749 408 L CB -0.400 40.817 42.059 -1.403 0.000 0.901 408 L HN -0.039 nan 8.230 nan 0.000 0.433 409 A N -0.154 121.997 122.820 -1.114 0.000 1.933 409 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 409 A C 1.907 179.486 177.584 -0.007 0.000 1.175 409 A CA 1.993 53.818 52.037 -0.353 0.000 0.628 409 A CB -0.528 18.388 19.000 -0.140 0.000 0.814 409 A HN 0.356 nan 8.150 nan 0.000 0.444 410 D N 0.031 120.434 120.400 0.004 0.000 2.104 410 D HA -0.175 4.465 4.640 -0.000 0.000 0.194 410 D C 1.925 178.450 176.300 0.374 0.000 0.994 410 D CA 1.721 55.873 54.000 0.253 0.000 0.830 410 D CB -0.398 40.503 40.800 0.170 0.000 0.959 410 D HN 0.882 nan 8.370 nan 0.000 0.452 411 E N -0.452 119.812 120.200 0.106 0.000 2.489 411 E HA 0.019 4.369 4.350 -0.000 0.000 0.193 411 E C 0.822 177.421 176.600 -0.001 0.000 1.057 411 E CA 0.302 56.740 56.400 0.064 0.000 0.866 411 E CB 0.020 29.724 29.700 0.006 0.000 0.916 411 E HN 0.118 nan 8.360 nan 0.000 0.500 412 N N 0.525 119.219 118.700 -0.010 0.000 2.171 412 N HA 0.078 4.818 4.740 -0.000 0.000 0.212 412 N C 0.483 175.967 175.510 -0.043 0.000 1.184 412 N CA 0.619 53.659 53.050 -0.017 0.000 0.888 412 N CB 1.512 40.022 38.487 0.037 0.000 1.038 412 N HN 0.343 nan 8.380 nan 0.000 0.517 413 G N 1.854 110.615 108.800 -0.064 0.000 2.221 413 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.265 413 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.265 413 G C -0.115 174.759 174.900 -0.043 0.000 1.041 413 G CA 0.003 44.919 45.100 -0.307 0.000 0.807 413 G HN 0.323 nan 8.290 nan 0.000 0.502 414 I N 0.434 121.101 120.570 0.162 0.000 2.328 414 I HA 0.353 4.523 4.170 -0.000 0.000 0.287 414 I C 0.619 176.852 176.117 0.194 0.000 1.012 414 I CA -1.154 60.220 61.300 0.124 0.000 1.195 414 I CB 1.066 39.135 38.000 0.115 0.000 1.350 414 I HN -0.079 nan 8.210 nan 0.000 0.464 415 L N 7.275 128.580 121.223 0.136 0.000 2.485 415 L HA 0.123 4.463 4.340 -0.000 0.000 0.275 415 L C 0.046 176.947 176.870 0.052 0.000 1.207 415 L CA 0.430 55.322 54.840 0.088 0.000 0.855 415 L CB 0.505 42.540 42.059 -0.040 0.000 1.114 415 L HN 0.278 nan 8.230 nan 0.000 0.485 416 V N 2.467 122.424 119.914 0.071 0.000 2.357 416 V HA 0.224 4.344 4.120 -0.000 0.000 0.284 416 V C -0.645 175.537 176.094 0.147 0.000 1.018 416 V CA -0.712 61.659 62.300 0.119 0.000 0.841 416 V CB 1.377 33.300 31.823 0.167 0.000 0.991 416 V HN 0.708 nan 8.190 nan 0.000 0.437 417 W N 5.964 127.255 121.300 -0.016 0.000 2.342 417 W HA 0.529 5.189 4.660 -0.000 0.000 0.310 417 W C -0.420 176.084 176.519 -0.024 0.000 1.128 417 W CA -1.100 56.259 57.345 0.023 0.000 1.322 417 W CB 1.294 30.825 29.460 0.119 0.000 1.251 417 W HN 0.621 nan 8.180 nan 0.000 0.439 418 Q N 4.805 124.709 119.800 0.173 0.000 2.400 418 Q HA 0.209 4.549 4.340 -0.000 0.000 0.255 418 Q C -0.791 175.309 176.000 0.166 0.000 1.008 418 Q CA -0.157 55.661 55.803 0.026 0.000 0.841 418 Q CB 0.542 28.985 28.738 -0.491 0.000 1.220 418 Q HN 0.288 nan 8.270 nan 0.000 0.474 419 D N 3.000 123.568 120.400 0.279 0.000 2.372 419 D HA 0.107 4.747 4.640 -0.000 0.000 0.243 419 D C -0.332 176.047 176.300 0.131 0.000 1.121 419 D CA 0.210 54.374 54.000 0.272 0.000 0.898 419 D CB 0.381 41.294 40.800 0.188 0.000 1.202 419 D HN 0.413 nan 8.370 nan 0.000 0.428 420 F N 0.694 120.884 119.950 0.401 0.000 2.490 420 F HA 0.070 4.596 4.527 -0.000 0.000 0.336 420 F C 1.497 177.243 175.800 -0.089 0.000 1.178 420 F CA -0.259 57.958 58.000 0.362 0.000 1.301 420 F CB 0.373 39.746 39.000 0.622 0.000 1.175 420 F HN 0.054 nan 8.300 nan 0.000 0.593 421 M N 3.754 123.101 119.600 -0.422 0.000 3.596 421 M HA 0.179 4.659 4.480 -0.000 0.000 0.219 421 M C -1.520 174.234 176.300 -0.909 0.000 1.471 421 M CA 0.414 55.236 55.300 -0.798 0.000 1.644 421 M CB -1.664 30.184 32.600 -1.253 0.000 1.083 421 M HN 0.284 nan 8.290 nan 0.000 0.579 422 F N 0.670 120.562 119.950 -0.097 0.000 2.562 422 F HA 0.682 5.209 4.527 -0.000 0.000 0.319 422 F C -0.154 175.697 175.800 0.085 0.000 1.154 422 F CA -0.979 56.985 58.000 -0.060 0.000 0.931 422 F CB 1.694 40.685 39.000 -0.015 0.000 1.198 422 F HN 0.343 nan 8.300 nan 0.000 0.444 423 A N 1.408 124.483 122.820 0.426 0.000 2.402 423 A HA 0.621 4.941 4.320 -0.000 0.000 0.291 423 A C 0.118 177.995 177.584 0.489 0.000 1.051 423 A CA -0.675 51.538 52.037 0.293 0.000 0.716 423 A CB 0.772 19.699 19.000 -0.122 0.000 1.223 423 A HN 1.111 nan 8.150 nan 0.000 0.425 424 C N 0.194 119.730 119.300 0.393 0.000 4.933 424 C HA -0.120 4.340 4.460 -0.000 0.000 0.249 424 C C 0.900 176.100 174.990 0.350 0.000 1.406 424 C CA 1.540 60.796 59.018 0.396 0.000 1.505 424 C CB -2.278 25.796 27.740 0.558 0.000 1.870 424 C HN 1.523 nan 8.230 nan 0.000 0.651 425 T N 0.474 115.186 114.554 0.264 0.000 2.900 425 T HA 0.610 4.960 4.350 -0.000 0.000 0.303 425 T C -2.778 172.001 174.700 0.132 0.000 1.142 425 T CA -1.137 61.057 62.100 0.157 0.000 1.007 425 T CB 2.365 71.178 68.868 -0.093 0.000 1.156 425 T HN 0.014 nan 8.240 nan 0.000 0.490 426 P HA 0.245 nan 4.420 nan 0.000 0.270 426 P C -1.295 175.988 177.300 -0.028 0.000 1.223 426 P CA -0.050 63.211 63.100 0.268 0.000 0.785 426 P CB 0.409 32.263 31.700 0.257 0.000 0.923 427 Y N -0.179 120.199 120.300 0.130 0.000 2.598 427 Y HA 0.430 4.980 4.550 0.000 0.000 0.340 427 Y C -1.665 174.060 175.900 -0.292 0.000 1.038 427 Y CA -2.266 55.704 58.100 -0.217 0.000 1.100 427 Y CB 0.729 39.236 38.460 0.078 0.000 1.281 427 Y HN 0.278 nan 8.280 nan 0.000 0.488 428 P HA 0.012 nan 4.420 nan 0.000 0.270 428 P C -0.280 176.925 177.300 -0.159 0.000 1.221 428 P CA 0.461 63.320 63.100 -0.401 0.000 0.788 428 P CB 0.492 31.675 31.700 -0.861 0.000 0.904 429 S N -2.666 113.063 115.700 0.047 0.000 3.088 429 S HA 0.158 4.628 4.470 -0.000 0.000 0.249 429 S C -0.413 174.263 174.600 0.127 0.000 0.877 429 S CA -0.710 57.570 58.200 0.133 0.000 1.184 429 S CB -1.291 61.948 63.200 0.065 0.000 1.170 429 S HN 0.506 nan 8.310 nan 0.000 0.603 430 D N 1.518 122.007 120.400 0.149 0.000 2.357 430 D HA 0.354 4.994 4.640 -0.000 0.000 0.242 430 D C -1.717 174.666 176.300 0.139 0.000 1.153 430 D CA -1.383 52.693 54.000 0.127 0.000 0.918 430 D CB 0.367 41.243 40.800 0.127 0.000 1.181 430 D HN -0.050 nan 8.370 nan 0.000 0.435 431 P HA -0.209 nan 4.420 nan 0.000 0.216 431 P C 1.402 178.745 177.300 0.072 0.000 1.150 431 P CA 1.883 65.016 63.100 0.055 0.000 0.837 431 P CB -0.203 31.516 31.700 0.031 0.000 0.786 432 T N -3.704 110.911 114.554 0.103 0.000 2.821 432 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 432 T C 1.690 176.483 174.700 0.155 0.000 1.046 432 T CA 0.719 62.885 62.100 0.109 0.000 1.139 432 T CB -1.379 67.556 68.868 0.111 0.000 0.871 432 T HN -0.003 nan 8.240 nan 0.000 0.454 433 F N 1.887 121.871 119.950 0.057 0.000 2.163 433 F HA 0.253 4.781 4.527 0.000 0.000 0.297 433 F C 1.953 177.773 175.800 0.032 0.000 1.094 433 F CA 0.658 58.703 58.000 0.075 0.000 1.290 433 F CB -0.326 38.734 39.000 0.100 0.000 1.017 433 F HN 0.040 nan 8.300 nan 0.000 0.483 434 L N -0.030 121.202 121.223 0.014 0.000 2.083 434 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 434 L C 2.436 179.214 176.870 -0.154 0.000 1.083 434 L CA 1.306 56.069 54.840 -0.129 0.000 0.752 434 L CB -0.708 41.313 42.059 -0.062 0.000 0.899 434 L HN 0.076 nan 8.230 nan 0.000 0.433 435 K N 0.662 121.013 120.400 -0.082 0.000 2.026 435 K HA -0.157 4.163 4.320 -0.000 0.000 0.208 435 K C 2.160 178.706 176.600 -0.090 0.000 1.048 435 K CA 1.462 57.708 56.287 -0.069 0.000 0.929 435 K CB -0.135 32.352 32.500 -0.021 0.000 0.713 435 K HN 0.086 nan 8.250 nan 0.000 0.439 436 R N -0.441 119.999 120.500 -0.101 0.000 2.094 436 R HA -0.139 4.201 4.340 -0.000 0.000 0.239 436 R C 2.192 178.397 176.300 -0.158 0.000 1.137 436 R CA 1.829 57.861 56.100 -0.113 0.000 0.943 436 R CB -0.763 29.462 30.300 -0.124 0.000 0.850 436 R HN 0.032 nan 8.270 nan 0.000 0.433 437 V N 1.092 120.838 119.914 -0.279 0.000 2.332 437 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 437 V C 2.300 178.289 176.094 -0.176 0.000 1.055 437 V CA 2.027 64.200 62.300 -0.212 0.000 1.038 437 V CB -0.560 31.078 31.823 -0.309 0.000 0.651 437 V HN 0.420 nan 8.190 nan 0.000 0.450 438 E N 0.276 120.360 120.200 -0.193 0.000 2.070 438 E HA -0.280 4.070 4.350 -0.000 0.000 0.197 438 E C 2.272 178.777 176.600 -0.159 0.000 1.004 438 E CA 1.594 57.887 56.400 -0.179 0.000 0.805 438 E CB -0.283 29.331 29.700 -0.143 0.000 0.744 438 E HN 0.569 nan 8.360 nan 0.000 0.451 439 A N 1.522 124.269 122.820 -0.121 0.000 1.883 439 A HA -0.291 4.029 4.320 -0.000 0.000 0.217 439 A C 2.091 179.618 177.584 -0.095 0.000 1.186 439 A CA 2.069 54.043 52.037 -0.105 0.000 0.624 439 A CB -0.822 18.133 19.000 -0.076 0.000 0.822 439 A HN 0.605 nan 8.150 nan 0.000 0.444 440 E N -0.092 120.067 120.200 -0.068 0.000 2.107 440 E HA 0.012 4.362 4.350 -0.000 0.000 0.191 440 E C 2.015 178.555 176.600 -0.101 0.000 0.982 440 E CA 1.022 57.406 56.400 -0.026 0.000 0.809 440 E CB -0.395 29.361 29.700 0.093 0.000 0.756 440 E HN 0.453 nan 8.360 nan 0.000 0.459 441 A N 1.578 124.329 122.820 -0.114 0.000 1.865 441 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 441 A C 2.526 179.952 177.584 -0.264 0.000 1.191 441 A CA 1.747 53.706 52.037 -0.130 0.000 0.623 441 A CB -0.979 17.862 19.000 -0.265 0.000 0.826 441 A HN 0.202 nan 8.150 nan 0.000 0.444 442 V N -1.273 118.439 119.914 -0.337 0.000 2.255 442 V HA -0.307 3.813 4.120 -0.000 0.000 0.247 442 V C 2.364 178.190 176.094 -0.447 0.000 1.051 442 V CA 2.307 64.264 62.300 -0.570 0.000 1.018 442 V CB -1.094 30.345 31.823 -0.640 0.000 0.641 442 V HN 0.707 nan 8.190 nan 0.000 0.445 443 Y N 1.863 121.946 120.300 -0.362 0.000 2.053 443 Y HA -0.280 4.270 4.550 -0.000 0.000 0.277 443 Y C 2.557 178.294 175.900 -0.272 0.000 1.159 443 Y CA 2.315 60.242 58.100 -0.289 0.000 1.125 443 Y CB -0.467 37.848 38.460 -0.241 0.000 0.969 443 Y HN 0.297 nan 8.280 nan 0.000 0.492 444 N N 0.298 118.792 118.700 -0.343 0.000 2.331 444 N HA -0.136 4.604 4.740 -0.000 0.000 0.180 444 N C 1.951 177.303 175.510 -0.264 0.000 1.019 444 N CA 1.592 54.401 53.050 -0.401 0.000 0.881 444 N CB -0.154 38.007 38.487 -0.542 0.000 0.972 444 N HN 0.455 nan 8.380 nan 0.000 0.435 445 I N 1.277 121.659 120.570 -0.312 0.000 2.179 445 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 445 I C 2.521 178.498 176.117 -0.233 0.000 1.088 445 I CA 1.084 62.240 61.300 -0.239 0.000 1.357 445 I CB -0.104 37.645 38.000 -0.418 0.000 1.051 445 I HN 0.020 nan 8.210 nan 0.000 0.409 446 R N 0.145 120.423 120.500 -0.370 0.000 2.096 446 R HA -0.159 4.181 4.340 -0.000 0.000 0.235 446 R C 2.451 178.542 176.300 -0.348 0.000 1.127 446 R CA 1.191 57.072 56.100 -0.365 0.000 0.968 446 R CB -0.298 29.780 30.300 -0.369 0.000 0.861 446 R HN 0.268 nan 8.270 nan 0.000 0.440 447 R N 0.672 120.910 120.500 -0.437 0.000 2.096 447 R HA -0.090 4.250 4.340 -0.000 0.000 0.235 447 R C 1.606 177.757 176.300 -0.248 0.000 1.127 447 R CA 1.285 57.153 56.100 -0.388 0.000 0.968 447 R CB 0.041 30.003 30.300 -0.564 0.000 0.861 447 R HN 0.213 nan 8.270 nan 0.000 0.440 448 L N 0.275 121.371 121.223 -0.212 0.000 2.638 448 L HA 0.150 4.490 4.340 -0.000 0.000 0.232 448 L C 1.991 178.807 176.870 -0.089 0.000 1.099 448 L CA -0.036 54.719 54.840 -0.142 0.000 0.883 448 L CB 0.032 41.912 42.059 -0.299 0.000 1.136 448 L HN 0.187 nan 8.230 nan 0.000 0.492 449 R N -0.421 119.997 120.500 -0.137 0.000 2.339 449 R HA -0.007 4.333 4.340 -0.000 0.000 0.199 449 R C 0.779 176.988 176.300 -0.151 0.000 1.018 449 R CA 0.737 56.773 56.100 -0.106 0.000 1.036 449 R CB -0.363 29.819 30.300 -0.196 0.000 0.899 449 R HN 0.354 nan 8.270 nan 0.000 0.473 450 N N 0.450 118.947 118.700 -0.337 0.000 2.280 450 N HA 0.006 4.746 4.740 -0.000 0.000 0.192 450 N C -0.490 174.761 175.510 -0.430 0.000 1.109 450 N CA 0.034 52.815 53.050 -0.449 0.000 0.855 450 N CB 0.256 38.230 38.487 -0.856 0.000 0.974 450 N HN 0.300 nan 8.380 nan 0.000 0.482 451 H N 0.751 119.681 119.070 -0.233 0.000 2.742 451 H HA 0.176 4.732 4.556 0.000 0.000 0.302 451 H C 1.108 176.264 175.328 -0.287 0.000 1.069 451 H CA -0.180 55.748 56.048 -0.200 0.000 1.446 451 H CB 1.560 31.258 29.762 -0.108 0.000 1.462 451 H HN 0.082 nan 8.280 nan 0.000 0.499 452 A N 3.564 126.200 122.820 -0.307 0.000 1.927 452 A HA -0.269 4.051 4.320 -0.000 0.000 0.220 452 A C 2.420 179.491 177.584 -0.855 0.000 1.185 452 A CA 2.307 53.907 52.037 -0.728 0.000 0.639 452 A CB -0.651 17.608 19.000 -1.235 0.000 0.820 452 A HN 0.755 nan 8.150 nan 0.000 0.451 453 S N -0.963 114.442 115.700 -0.491 0.000 2.423 453 S HA 0.014 4.484 4.470 -0.000 0.000 0.231 453 S C 0.754 175.295 174.600 -0.098 0.000 1.014 453 S CA 0.633 58.712 58.200 -0.202 0.000 0.965 453 S CB -0.754 62.474 63.200 0.047 0.000 0.785 453 S HN 0.459 nan 8.310 nan 0.000 0.495 454 L N 1.859 123.032 121.223 -0.083 0.000 2.534 454 L HA 0.482 4.822 4.340 -0.000 0.000 0.271 454 L C 0.873 177.678 176.870 -0.109 0.000 1.178 454 L CA 0.271 55.054 54.840 -0.095 0.000 0.907 454 L CB 0.411 42.381 42.059 -0.149 0.000 1.164 454 L HN 0.204 nan 8.230 nan 0.000 0.482 455 A N 6.438 129.215 122.820 -0.073 0.000 2.127 455 A HA 0.482 4.802 4.320 -0.000 0.000 0.204 455 A C 0.392 178.000 177.584 0.040 0.000 1.243 455 A CA 0.802 52.858 52.037 0.032 0.000 0.887 455 A CB 0.051 19.126 19.000 0.127 0.000 0.933 455 A HN 0.799 nan 8.150 nan 0.000 0.479 456 M N -4.367 115.173 119.600 -0.101 0.000 2.755 456 M HA 0.571 5.051 4.480 -0.000 0.000 0.276 456 M C -2.418 173.696 176.300 -0.309 0.000 1.129 456 M CA -0.655 54.597 55.300 -0.080 0.000 0.832 456 M CB 0.718 33.313 32.600 -0.007 0.000 1.700 456 M HN 0.047 nan 8.290 nan 0.000 0.518 457 W N 1.008 122.278 121.300 -0.049 0.000 2.689 457 W HA 0.783 5.443 4.660 -0.000 0.000 0.340 457 W C -0.957 175.498 176.519 -0.106 0.000 1.060 457 W CA -0.389 56.944 57.345 -0.021 0.000 1.218 457 W CB 2.012 31.585 29.460 0.189 0.000 1.410 457 W HN 0.890 nan 8.180 nan 0.000 0.528 458 C N 2.439 121.896 119.300 0.261 0.000 2.431 458 C HA 0.597 5.057 4.460 -0.000 0.000 0.321 458 C C 1.554 176.787 174.990 0.406 0.000 1.202 458 C CA 0.109 59.200 59.018 0.121 0.000 1.398 458 C CB 0.325 28.266 27.740 0.335 0.000 2.047 458 C HN 1.003 nan 8.230 nan 0.000 0.465 459 G N 4.459 113.384 108.800 0.208 0.000 2.513 459 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.219 459 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.219 459 G C 0.274 175.481 174.900 0.513 0.000 1.160 459 G CA 1.689 47.134 45.100 0.574 0.000 0.767 459 G HN 1.215 nan 8.290 nan 0.000 0.571 460 N N -2.864 115.975 118.700 0.232 0.000 3.127 460 N HA 0.192 4.932 4.740 -0.000 0.000 0.239 460 N C -1.596 174.002 175.510 0.148 0.000 1.407 460 N CA -0.853 52.293 53.050 0.159 0.000 0.891 460 N CB 0.516 38.900 38.487 -0.171 0.000 1.447 460 N HN 0.002 nan 8.380 nan 0.000 0.507 461 N N 0.289 119.066 118.700 0.127 0.000 2.420 461 N HA 0.239 4.979 4.740 -0.000 0.000 0.249 461 N C -0.836 174.766 175.510 0.153 0.000 1.033 461 N CA 0.071 53.231 53.050 0.183 0.000 0.944 461 N CB 0.178 38.743 38.487 0.130 0.000 1.113 461 N HN 0.767 nan 8.380 nan 0.000 0.502 462 E N 1.427 121.666 120.200 0.064 0.000 3.413 462 E HA -0.248 4.102 4.350 -0.000 0.000 0.300 462 E C 0.498 176.964 176.600 -0.223 0.000 0.891 462 E CA 0.532 56.887 56.400 -0.076 0.000 1.050 462 E CB -1.296 28.441 29.700 0.063 0.000 1.534 462 E HN 0.675 nan 8.360 nan 0.000 0.436 463 I N -0.276 120.238 120.570 -0.093 0.000 2.333 463 I HA -0.188 3.982 4.170 -0.000 0.000 0.246 463 I C 2.345 178.313 176.117 -0.249 0.000 1.106 463 I CA 0.768 62.030 61.300 -0.063 0.000 1.411 463 I CB -0.187 37.900 38.000 0.145 0.000 1.082 463 I HN 0.141 nan 8.210 nan 0.000 0.420 464 L N 1.270 122.293 121.223 -0.334 0.000 2.083 464 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 464 L C 2.425 179.057 176.870 -0.397 0.000 1.083 464 L CA 1.878 56.404 54.840 -0.523 0.000 0.752 464 L CB -0.673 41.178 42.059 -0.347 0.000 0.899 464 L HN 0.254 nan 8.230 nan 0.000 0.433 465 E N -0.630 119.363 120.200 -0.345 0.000 2.058 465 E HA -0.273 4.077 4.350 -0.000 0.000 0.194 465 E C 2.116 178.221 176.600 -0.825 0.000 0.997 465 E CA 1.383 57.560 56.400 -0.370 0.000 0.801 465 E CB -0.220 29.290 29.700 -0.317 0.000 0.746 465 E HN 0.600 nan 8.360 nan 0.000 0.450 466 A N 0.986 123.076 122.820 -1.216 0.000 1.883 466 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 466 A C 2.249 179.241 177.584 -0.987 0.000 1.186 466 A CA 1.470 52.651 52.037 -1.427 0.000 0.624 466 A CB -0.832 17.674 19.000 -0.823 0.000 0.822 466 A HN 0.344 nan 8.150 nan 0.000 0.444 467 L N -1.086 119.843 121.223 -0.490 0.000 2.079 467 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 467 L C 2.580 179.301 176.870 -0.248 0.000 1.081 467 L CA 1.876 56.594 54.840 -0.203 0.000 0.752 467 L CB -0.316 41.628 42.059 -0.193 0.000 0.896 467 L HN 0.375 nan 8.230 nan 0.000 0.433 468 K N -1.703 118.410 120.400 -0.478 0.000 2.166 468 K HA -0.029 4.291 4.320 -0.000 0.000 0.201 468 K C 1.131 177.260 176.600 -0.784 0.000 1.052 468 K CA 0.962 56.829 56.287 -0.700 0.000 0.969 468 K CB 0.251 32.121 32.500 -1.051 0.000 0.761 468 K HN 0.183 nan 8.250 nan 0.000 0.459 469 Y N -2.835 117.328 120.300 -0.228 0.000 2.448 469 Y HA 0.112 4.662 4.550 -0.000 0.000 0.257 469 Y C 0.546 176.514 175.900 0.114 0.000 1.089 469 Y CA -0.761 57.295 58.100 -0.073 0.000 1.245 469 Y CB 0.465 38.904 38.460 -0.035 0.000 1.282 469 Y HN 0.054 nan 8.280 nan 0.000 0.529 470 W N 0.799 121.926 121.300 -0.289 0.000 3.388 470 W HA 0.513 5.173 4.660 -0.000 0.000 0.324 470 W C 1.276 177.657 176.519 -0.231 0.000 1.250 470 W CA -0.014 57.141 57.345 -0.318 0.000 1.809 470 W CB -0.485 28.686 29.460 -0.483 0.000 1.083 470 W HN 0.173 nan 8.180 nan 0.000 0.685 471 G N 0.319 109.127 108.800 0.014 0.000 2.225 471 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.264 471 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.264 471 G C 0.647 175.664 174.900 0.194 0.000 1.060 471 G CA -0.022 45.112 45.100 0.058 0.000 0.833 471 G HN 0.076 nan 8.290 nan 0.000 0.498 472 F N -0.031 119.977 119.950 0.096 0.000 2.192 472 F HA 0.128 4.655 4.527 -0.000 0.000 0.301 472 F C 2.447 178.284 175.800 0.062 0.000 1.079 472 F CA 2.445 60.561 58.000 0.194 0.000 1.303 472 F CB -0.589 38.669 39.000 0.431 0.000 1.024 472 F HN 0.701 nan 8.300 nan 0.000 0.494 473 E N -1.242 118.987 120.200 0.049 0.000 2.641 473 E HA 0.262 4.612 4.350 -0.000 0.000 0.201 473 E C 1.567 178.071 176.600 -0.160 0.000 0.921 473 E CA 0.572 56.810 56.400 -0.270 0.000 1.551 473 E CB -0.607 28.735 29.700 -0.595 0.000 1.640 473 E HN 0.225 nan 8.360 nan 0.000 0.906 474 K N 1.099 121.442 120.400 -0.096 0.000 2.444 474 K HA 0.222 4.542 4.320 -0.000 0.000 0.193 474 K C 1.901 178.418 176.600 -0.139 0.000 1.024 474 K CA 0.922 57.154 56.287 -0.092 0.000 1.077 474 K CB -0.388 32.073 32.500 -0.064 0.000 0.833 474 K HN 0.277 nan 8.250 nan 0.000 0.517 475 K N -1.164 119.097 120.400 -0.232 0.000 2.354 475 K HA 0.284 4.604 4.320 -0.000 0.000 0.194 475 K C -0.887 175.210 176.600 -0.838 0.000 1.045 475 K CA 0.001 55.952 56.287 -0.560 0.000 1.026 475 K CB 0.383 32.381 32.500 -0.837 0.000 0.866 475 K HN 0.329 nan 8.250 nan 0.000 0.530 476 F N 0.611 120.532 119.950 -0.048 0.000 2.576 476 F HA 0.139 4.666 4.527 0.000 0.000 0.313 476 F C 0.439 176.197 175.800 -0.070 0.000 1.078 476 F CA -1.556 56.389 58.000 -0.092 0.000 0.921 476 F CB 1.192 40.101 39.000 -0.151 0.000 1.232 476 F HN -0.163 nan 8.300 nan 0.000 0.459 477 T N -0.411 114.211 114.554 0.113 0.000 2.939 477 T HA 0.061 4.411 4.350 -0.000 0.000 0.319 477 T C -1.972 172.775 174.700 0.078 0.000 1.082 477 T CA -0.937 61.198 62.100 0.058 0.000 1.133 477 T CB 0.654 69.542 68.868 0.034 0.000 1.019 477 T HN 0.349 nan 8.240 nan 0.000 0.548 478 P HA -0.078 nan 4.420 nan 0.000 0.218 478 P C 1.219 178.577 177.300 0.097 0.000 1.146 478 P CA 1.022 64.177 63.100 0.092 0.000 0.813 478 P CB 0.083 31.816 31.700 0.056 0.000 0.778 479 E N -0.910 119.318 120.200 0.046 0.000 2.046 479 E HA -0.093 4.257 4.350 -0.000 0.000 0.190 479 E C 2.040 178.624 176.600 -0.027 0.000 0.982 479 E CA 0.799 57.212 56.400 0.021 0.000 0.800 479 E CB -1.177 28.530 29.700 0.012 0.000 0.756 479 E HN -0.010 nan 8.360 nan 0.000 0.449 480 V N 0.563 120.422 119.914 -0.092 0.000 2.343 480 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 480 V C 1.946 177.850 176.094 -0.316 0.000 1.051 480 V CA 1.836 63.945 62.300 -0.318 0.000 1.036 480 V CB -0.569 30.915 31.823 -0.564 0.000 0.654 480 V HN 0.299 nan 8.190 nan 0.000 0.451 481 Y N 1.041 121.211 120.300 -0.217 0.000 2.053 481 Y HA -0.302 4.248 4.550 0.000 0.000 0.277 481 Y C 2.796 178.638 175.900 -0.097 0.000 1.159 481 Y CA 2.125 60.146 58.100 -0.131 0.000 1.125 481 Y CB -0.394 38.065 38.460 -0.001 0.000 0.969 481 Y HN 0.179 nan 8.280 nan 0.000 0.492 482 Q N -0.169 119.586 119.800 -0.075 0.000 2.181 482 Q HA -0.151 4.189 4.340 -0.000 0.000 0.205 482 Q C 2.511 178.494 176.000 -0.028 0.000 0.980 482 Q CA 1.384 57.125 55.803 -0.103 0.000 0.862 482 Q CB -1.133 27.650 28.738 0.075 0.000 0.905 482 Q HN 0.685 nan 8.270 nan 0.000 0.429 483 G N 0.633 109.418 108.800 -0.025 0.000 2.418 483 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.217 483 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.217 483 G C 1.567 176.444 174.900 -0.039 0.000 1.158 483 G CA 0.524 45.631 45.100 0.011 0.000 0.771 483 G HN 0.291 nan 8.290 nan 0.000 0.545 484 L N -0.008 121.103 121.223 -0.188 0.000 2.056 484 L HA -0.079 4.261 4.340 -0.000 0.000 0.207 484 L C 3.098 179.891 176.870 -0.127 0.000 1.078 484 L CA 0.654 55.399 54.840 -0.158 0.000 0.749 484 L CB -0.408 41.476 42.059 -0.292 0.000 0.901 484 L HN 0.141 nan 8.230 nan 0.000 0.433 485 M N -0.609 118.796 119.600 -0.325 0.000 2.080 485 M HA -0.227 4.253 4.480 -0.000 0.000 0.260 485 M C 2.254 178.454 176.300 -0.168 0.000 1.068 485 M CA 1.931 57.039 55.300 -0.319 0.000 1.109 485 M CB -1.531 30.757 32.600 -0.520 0.000 1.342 485 M HN 0.278 nan 8.290 nan 0.000 0.405 486 H N -0.636 118.404 119.070 -0.050 0.000 2.353 486 H HA -0.012 4.544 4.556 -0.000 0.000 0.300 486 H C 2.182 177.520 175.328 0.016 0.000 1.090 486 H CA 1.447 57.488 56.048 -0.013 0.000 1.327 486 H CB -0.596 29.149 29.762 -0.028 0.000 1.383 486 H HN 0.518 nan 8.280 nan 0.000 0.508 487 G N -0.195 108.686 108.800 0.136 0.000 2.442 487 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.219 487 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.219 487 G C 1.505 176.463 174.900 0.098 0.000 1.141 487 G CA 0.953 46.113 45.100 0.101 0.000 0.763 487 G HN 0.439 nan 8.290 nan 0.000 0.554 488 Y N 1.886 122.236 120.300 0.083 0.000 2.081 488 Y HA -0.203 4.347 4.550 0.000 0.000 0.280 488 Y C 2.520 178.513 175.900 0.155 0.000 1.163 488 Y CA 2.288 60.514 58.100 0.209 0.000 1.135 488 Y CB -0.139 38.396 38.460 0.124 0.000 0.970 488 Y HN 0.210 nan 8.280 nan 0.000 0.498 489 D N -0.127 120.367 120.400 0.157 0.000 2.117 489 D HA -0.160 4.480 4.640 -0.000 0.000 0.197 489 D C 2.072 178.325 176.300 -0.079 0.000 0.987 489 D CA 1.539 55.566 54.000 0.046 0.000 0.829 489 D CB -0.257 40.583 40.800 0.067 0.000 0.961 489 D HN 0.385 nan 8.370 nan 0.000 0.460 490 K N -0.139 120.214 120.400 -0.078 0.000 2.063 490 K HA -0.150 4.170 4.320 -0.000 0.000 0.208 490 K C 1.916 178.352 176.600 -0.274 0.000 1.048 490 K CA 0.639 56.847 56.287 -0.132 0.000 0.928 490 K CB -0.140 32.310 32.500 -0.083 0.000 0.713 490 K HN 0.067 nan 8.250 nan 0.000 0.442 491 L N -0.182 120.776 121.223 -0.442 0.000 2.034 491 L HA -0.011 4.329 4.340 -0.000 0.000 0.203 491 L C 1.709 178.046 176.870 -0.888 0.000 1.074 491 L CA 1.763 56.103 54.840 -0.834 0.000 0.748 491 L CB -0.421 40.841 42.059 -1.329 0.000 0.905 491 L HN 0.029 nan 8.230 nan 0.000 0.439 492 F N -0.757 118.914 119.950 -0.464 0.000 2.656 492 F HA 0.219 4.746 4.527 -0.000 0.000 0.291 492 F C 2.130 177.840 175.800 -0.150 0.000 1.122 492 F CA 0.225 58.004 58.000 -0.368 0.000 1.427 492 F CB -0.224 38.385 39.000 -0.653 0.000 1.125 492 F HN -0.046 nan 8.300 nan 0.000 0.583 493 R N -0.177 120.292 120.500 -0.053 0.000 2.362 493 R HA 0.179 4.519 4.340 -0.000 0.000 0.227 493 R C 0.708 176.949 176.300 -0.100 0.000 0.905 493 R CA 0.400 56.488 56.100 -0.021 0.000 1.067 493 R CB 0.234 30.519 30.300 -0.024 0.000 1.078 493 R HN 0.333 nan 8.270 nan 0.000 0.516 494 E N -0.154 119.941 120.200 -0.175 0.000 3.312 494 E HA 0.031 4.381 4.350 -0.000 0.000 0.178 494 E C 1.192 177.639 176.600 -0.255 0.000 1.204 494 E CA -0.257 56.031 56.400 -0.185 0.000 1.335 494 E CB -0.079 29.535 29.700 -0.144 0.000 1.680 494 E HN -0.066 nan 8.360 nan 0.000 0.503 495 L N 1.892 122.938 121.223 -0.295 0.000 1.970 495 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 495 L C 2.054 178.667 176.870 -0.427 0.000 1.071 495 L CA 1.759 56.401 54.840 -0.329 0.000 0.751 495 L CB -0.451 41.401 42.059 -0.344 0.000 0.889 495 L HN 0.168 nan 8.230 nan 0.000 0.432 496 L N -0.109 120.785 121.223 -0.549 0.000 2.017 496 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 496 L C -0.177 176.165 176.870 -0.880 0.000 1.073 496 L CA 1.397 55.795 54.840 -0.737 0.000 0.745 496 L CB -2.174 39.444 42.059 -0.735 0.000 0.894 496 L HN 0.301 nan 8.230 nan 0.000 0.432 497 P HA -0.145 nan 4.420 nan 0.000 0.217 497 P C 1.763 178.770 177.300 -0.488 0.000 1.150 497 P CA 1.859 64.391 63.100 -0.946 0.000 0.832 497 P CB -0.069 31.257 31.700 -0.623 0.000 0.787 498 S N -1.231 114.251 115.700 -0.362 0.000 2.423 498 S HA -0.099 4.370 4.470 -0.000 0.000 0.231 498 S C 1.880 176.341 174.600 -0.231 0.000 1.014 498 S CA 1.716 59.764 58.200 -0.254 0.000 0.965 498 S CB -1.828 61.252 63.200 -0.199 0.000 0.785 498 S HN 0.108 nan 8.310 nan 0.000 0.495 499 T N 2.098 116.501 114.554 -0.253 0.000 2.812 499 T HA 0.051 4.401 4.350 -0.000 0.000 0.264 499 T C 1.900 176.530 174.700 -0.116 0.000 1.042 499 T CA 1.249 63.279 62.100 -0.117 0.000 1.140 499 T CB -0.513 68.240 68.868 -0.193 0.000 0.870 499 T HN 0.291 nan 8.240 nan 0.000 0.445 500 V N 1.441 121.186 119.914 -0.282 0.000 2.343 500 V HA -0.188 3.932 4.120 -0.000 0.000 0.247 500 V C 2.695 178.688 176.094 -0.168 0.000 1.051 500 V CA 1.796 63.938 62.300 -0.264 0.000 1.036 500 V CB -0.669 30.981 31.823 -0.288 0.000 0.654 500 V HN 0.379 nan 8.190 nan 0.000 0.451 501 K N -0.406 119.879 120.400 -0.191 0.000 2.057 501 K HA -0.230 4.090 4.320 -0.000 0.000 0.207 501 K C 2.199 178.684 176.600 -0.191 0.000 1.049 501 K CA 2.079 58.272 56.287 -0.157 0.000 0.931 501 K CB -0.374 32.030 32.500 -0.161 0.000 0.714 501 K HN 0.767 nan 8.250 nan 0.000 0.440 502 E N -2.000 118.039 120.200 -0.267 0.000 2.072 502 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 502 E C 1.410 177.639 176.600 -0.618 0.000 0.985 502 E CA 1.678 57.781 56.400 -0.495 0.000 0.801 502 E CB -0.028 29.235 29.700 -0.729 0.000 0.750 502 E HN 0.586 nan 8.360 nan 0.000 0.452 503 F N -0.845 118.991 119.950 -0.189 0.000 2.724 503 F HA 0.241 4.768 4.527 -0.000 0.000 0.306 503 F C 0.483 176.125 175.800 -0.264 0.000 1.100 503 F CA -0.184 57.675 58.000 -0.236 0.000 1.255 503 F CB 1.067 39.905 39.000 -0.270 0.000 1.072 503 F HN -0.153 nan 8.300 nan 0.000 0.589 504 D N -0.693 119.683 120.400 -0.041 0.000 2.945 504 D HA 0.114 4.754 4.640 -0.000 0.000 0.340 504 D C 1.062 177.391 176.300 0.048 0.000 1.240 504 D CA 0.255 54.264 54.000 0.015 0.000 0.749 504 D CB 0.335 41.191 40.800 0.094 0.000 1.217 504 D HN 0.038 nan 8.370 nan 0.000 0.514 505 S N -0.672 115.043 115.700 0.026 0.000 2.423 505 S HA -0.117 4.353 4.470 -0.000 0.000 0.231 505 S C 1.134 175.755 174.600 0.035 0.000 1.014 505 S CA 0.667 58.870 58.200 0.006 0.000 0.965 505 S CB 0.210 63.395 63.200 -0.024 0.000 0.785 505 S HN 0.180 nan 8.310 nan 0.000 0.495 506 D N 1.221 121.657 120.400 0.060 0.000 2.349 506 D HA 0.140 4.780 4.640 -0.000 0.000 0.224 506 D C 0.508 176.857 176.300 0.082 0.000 1.029 506 D CA 0.275 54.308 54.000 0.055 0.000 0.879 506 D CB 0.112 40.935 40.800 0.039 0.000 0.906 506 D HN 0.454 nan 8.370 nan 0.000 0.528 507 R N 0.222 120.800 120.500 0.130 0.000 2.474 507 R HA 0.304 4.644 4.340 -0.000 0.000 0.295 507 R C -0.315 176.125 176.300 0.232 0.000 0.980 507 R CA -0.856 55.356 56.100 0.187 0.000 0.934 507 R CB 1.410 31.873 30.300 0.272 0.000 1.101 507 R HN -0.104 nan 8.270 nan 0.000 0.469 508 F N 2.829 122.795 119.950 0.026 0.000 2.471 508 F HA 0.133 4.660 4.527 -0.000 0.000 0.353 508 F C -0.741 175.132 175.800 0.122 0.000 1.113 508 F CA -0.138 57.847 58.000 -0.025 0.000 1.262 508 F CB 0.363 39.224 39.000 -0.230 0.000 1.146 508 F HN 0.395 nan 8.300 nan 0.000 0.578 509 Y N 6.108 125.974 120.300 -0.723 0.000 2.429 509 Y HA 0.628 5.178 4.550 -0.000 0.000 0.342 509 Y C -1.712 173.558 175.900 -1.051 0.000 1.004 509 Y CA -1.011 56.736 58.100 -0.588 0.000 1.075 509 Y CB 1.571 39.913 38.460 -0.197 0.000 1.214 509 Y HN 0.573 nan 8.280 nan 0.000 0.455 510 V N 6.387 125.545 119.914 -1.260 0.000 2.735 510 V HA 0.252 4.372 4.120 -0.000 0.000 0.310 510 V C 0.150 175.633 176.094 -1.018 0.000 1.061 510 V CA -0.420 61.338 62.300 -0.904 0.000 0.913 510 V CB 1.502 33.091 31.823 -0.390 0.000 1.005 510 V HN 1.059 nan 8.190 nan 0.000 0.428 511 H N 3.207 122.015 119.070 -0.437 0.000 2.491 511 H HA 0.327 4.882 4.556 -0.000 0.000 0.290 511 H C 0.748 176.066 175.328 -0.016 0.000 1.050 511 H CA 1.121 57.103 56.048 -0.110 0.000 1.309 511 H CB 0.157 30.041 29.762 0.203 0.000 1.392 511 H HN 0.534 nan 8.280 nan 0.000 0.554 512 S N -1.173 114.331 115.700 -0.327 0.000 2.565 512 S HA 0.488 4.958 4.470 -0.000 0.000 0.269 512 S C -1.600 173.007 174.600 0.011 0.000 1.153 512 S CA -0.523 57.624 58.200 -0.087 0.000 0.835 512 S CB 1.688 64.890 63.200 0.004 0.000 1.122 512 S HN 0.366 nan 8.310 nan 0.000 0.462 513 S N 2.994 118.770 115.700 0.126 0.000 2.605 513 S HA 0.711 5.181 4.470 -0.000 0.000 0.308 513 S C -2.975 171.503 174.600 -0.203 0.000 1.113 513 S CA -1.550 56.755 58.200 0.175 0.000 1.049 513 S CB 1.397 64.945 63.200 0.580 0.000 1.001 513 S HN 0.494 nan 8.310 nan 0.000 0.480 514 P HA 0.188 nan 4.420 nan 0.000 0.280 514 P C 0.131 177.351 177.300 -0.134 0.000 1.244 514 P CA -0.442 62.510 63.100 -0.248 0.000 0.784 514 P CB 0.328 31.879 31.700 -0.248 0.000 0.913 515 Y N 3.314 123.541 120.300 -0.122 0.000 2.373 515 Y HA 0.077 4.627 4.550 -0.000 0.000 0.293 515 Y C 1.182 177.073 175.900 -0.016 0.000 1.129 515 Y CA 1.071 59.065 58.100 -0.177 0.000 1.226 515 Y CB -0.572 37.738 38.460 -0.250 0.000 1.000 515 Y HN 0.227 nan 8.280 nan 0.000 0.549 516 L N -0.417 120.609 121.223 -0.328 0.000 2.718 516 L HA 0.602 4.942 4.340 -0.000 0.000 0.247 516 L C 1.023 177.861 176.870 -0.053 0.000 1.028 516 L CA 0.518 55.303 54.840 -0.092 0.000 1.031 516 L CB -0.400 41.646 42.059 -0.021 0.000 1.910 516 L HN 0.106 nan 8.230 nan 0.000 0.526 517 A N 1.279 124.017 122.820 -0.137 0.000 2.462 517 A HA 0.360 4.680 4.320 -0.000 0.000 0.243 517 A C -0.158 177.469 177.584 0.071 0.000 1.076 517 A CA 0.192 52.245 52.037 0.026 0.000 0.773 517 A CB -0.210 18.829 19.000 0.065 0.000 1.010 517 A HN 0.453 nan 8.150 nan 0.000 0.493 518 N N 2.109 120.877 118.700 0.113 0.000 2.235 518 N HA 0.150 4.890 4.740 -0.000 0.000 0.293 518 N C 0.644 176.304 175.510 0.250 0.000 1.083 518 N CA -0.628 52.433 53.050 0.018 0.000 0.801 518 N CB 1.068 39.258 38.487 -0.495 0.000 1.559 518 N HN 0.868 nan 8.380 nan 0.000 0.472 519 W N 2.954 124.406 121.300 0.254 0.000 2.525 519 W HA 0.174 4.834 4.660 -0.000 0.000 0.259 519 W C 0.499 177.298 176.519 0.466 0.000 1.253 519 W CA 0.794 58.368 57.345 0.383 0.000 1.262 519 W CB -0.403 29.213 29.460 0.260 0.000 1.122 519 W HN 0.565 nan 8.180 nan 0.000 0.607 520 G N 1.456 110.073 108.800 -0.304 0.000 3.042 520 G HA2 0.026 3.985 3.960 -0.000 0.000 0.212 520 G HA3 0.026 3.985 3.960 -0.000 0.000 0.212 520 G C 0.572 175.341 174.900 -0.218 0.000 1.166 520 G CA -0.363 44.499 45.100 -0.396 0.000 0.767 520 G HN -0.103 nan 8.290 nan 0.000 0.546 521 R N 0.504 120.905 120.500 -0.165 0.000 2.396 521 R HA 0.279 4.619 4.340 -0.000 0.000 0.292 521 R C -2.250 173.699 176.300 -0.585 0.000 1.240 521 R CA -2.294 53.644 56.100 -0.270 0.000 1.270 521 R CB 1.421 31.580 30.300 -0.236 0.000 1.108 521 R HN 0.005 nan 8.270 nan 0.000 0.573 522 P HA -0.171 nan 4.420 nan 0.000 0.219 522 P C 1.079 177.720 177.300 -1.098 0.000 1.146 522 P CA 1.009 63.036 63.100 -1.789 0.000 0.808 522 P CB 0.433 31.459 31.700 -1.124 0.000 0.779 523 E N 0.029 119.908 120.200 -0.535 0.000 2.482 523 E HA -0.056 4.294 4.350 -0.000 0.000 0.196 523 E C 1.289 177.797 176.600 -0.153 0.000 1.047 523 E CA 1.021 57.262 56.400 -0.264 0.000 0.869 523 E CB -0.862 28.746 29.700 -0.153 0.000 0.836 523 E HN 0.297 nan 8.360 nan 0.000 0.520 524 S N -0.922 114.667 115.700 -0.186 0.000 2.575 524 S HA 0.040 4.510 4.470 -0.000 0.000 0.215 524 S C 1.073 175.781 174.600 0.181 0.000 0.966 524 S CA -0.513 57.690 58.200 0.005 0.000 0.911 524 S CB -0.596 62.619 63.200 0.025 0.000 0.780 524 S HN 0.213 nan 8.310 nan 0.000 0.514 525 W N 2.271 123.606 121.300 0.057 0.000 2.519 525 W HA 0.360 5.020 4.660 -0.000 0.000 0.266 525 W C 2.186 178.767 176.519 0.103 0.000 1.253 525 W CA 0.075 57.470 57.345 0.084 0.000 1.274 525 W CB -1.250 28.285 29.460 0.125 0.000 1.114 525 W HN 0.519 nan 8.180 nan 0.000 0.596 526 G N -0.694 108.296 108.800 0.317 0.000 2.920 526 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.208 526 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.208 526 G C 0.125 175.099 174.900 0.123 0.000 1.159 526 G CA 0.338 45.579 45.100 0.235 0.000 0.784 526 G HN 0.027 nan 8.290 nan 0.000 0.535 527 T N 1.123 115.739 114.554 0.103 0.000 2.947 527 T HA 0.578 4.928 4.350 -0.000 0.000 0.337 527 T C 0.695 175.337 174.700 -0.098 0.000 1.139 527 T CA 0.307 62.441 62.100 0.057 0.000 0.992 527 T CB 0.993 69.897 68.868 0.060 0.000 1.043 527 T HN 0.861 nan 8.240 nan 0.000 0.498 528 G N 3.960 112.759 108.800 -0.003 0.000 2.584 528 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.229 528 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.229 528 G C -0.684 174.069 174.900 -0.244 0.000 1.320 528 G CA -0.321 44.699 45.100 -0.132 0.000 0.891 528 G HN 0.829 nan 8.290 nan 0.000 0.573 529 D N 0.025 120.086 120.400 -0.564 0.000 2.313 529 D HA 0.546 5.186 4.640 -0.000 0.000 0.247 529 D C -0.053 176.189 176.300 -0.097 0.000 1.094 529 D CA 0.279 54.085 54.000 -0.325 0.000 0.925 529 D CB 1.422 41.912 40.800 -0.516 0.000 1.188 529 D HN 0.493 nan 8.370 nan 0.000 0.430 530 S N 0.111 115.851 115.700 0.066 0.000 2.482 530 S HA 0.227 4.697 4.470 -0.000 0.000 0.303 530 S C -0.496 174.289 174.600 0.310 0.000 1.091 530 S CA -0.738 57.536 58.200 0.123 0.000 1.057 530 S CB 0.943 64.137 63.200 -0.009 0.000 1.031 530 S HN 0.390 nan 8.310 nan 0.000 0.485 531 H N 2.657 121.818 119.070 0.152 0.000 2.914 531 H HA 0.168 4.724 4.556 -0.000 0.000 0.264 531 H C -0.161 175.258 175.328 0.153 0.000 1.433 531 H CA -0.535 55.651 56.048 0.230 0.000 1.342 531 H CB 0.166 30.227 29.762 0.497 0.000 1.582 531 H HN 0.321 nan 8.280 nan 0.000 0.525 532 N N 3.087 121.762 118.700 -0.042 0.000 2.508 532 N HA -0.050 4.690 4.740 -0.000 0.000 0.253 532 N C -0.338 174.944 175.510 -0.380 0.000 1.145 532 N CA -0.257 52.718 53.050 -0.126 0.000 0.973 532 N CB 0.048 38.401 38.487 -0.223 0.000 1.305 532 N HN 0.561 nan 8.380 nan 0.000 0.506 533 W N 1.672 122.845 121.300 -0.211 0.000 3.239 533 W HA 0.363 5.023 4.660 -0.000 0.000 0.368 533 W C 1.888 177.783 176.519 -1.040 0.000 1.154 533 W CA -0.632 56.456 57.345 -0.430 0.000 1.860 533 W CB 0.410 29.793 29.460 -0.128 0.000 1.094 533 W HN 0.592 nan 8.180 nan 0.000 0.643 534 G N 0.554 108.866 108.800 -0.814 0.000 2.440 534 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.218 534 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.218 534 G C 0.656 175.453 174.900 -0.170 0.000 1.154 534 G CA 0.554 45.339 45.100 -0.526 0.000 0.767 534 G HN -0.031 nan 8.290 nan 0.000 0.552 535 V N 0.725 120.614 119.914 -0.041 0.000 2.614 535 V HA 0.236 4.356 4.120 -0.000 0.000 0.291 535 V C 0.876 177.121 176.094 0.251 0.000 1.049 535 V CA -0.048 62.324 62.300 0.120 0.000 1.038 535 V CB 0.552 32.468 31.823 0.155 0.000 0.980 535 V HN 0.615 nan 8.190 nan 0.000 0.481 536 W N 3.436 124.778 121.300 0.070 0.000 1.401 536 W HA -0.406 4.254 4.660 0.000 0.000 0.255 536 W C 1.415 177.891 176.519 -0.071 0.000 1.582 536 W CA 1.880 59.204 57.345 -0.035 0.000 1.965 536 W CB -1.428 28.050 29.460 0.030 0.000 1.231 536 W HN 0.592 nan 8.180 nan 0.000 0.440 537 Y N 1.040 121.442 120.300 0.170 0.000 2.165 537 Y HA 0.005 4.555 4.550 -0.000 0.000 0.286 537 Y C 2.676 178.512 175.900 -0.107 0.000 1.155 537 Y CA 2.694 60.766 58.100 -0.046 0.000 1.164 537 Y CB -1.408 37.082 38.460 0.049 0.000 0.978 537 Y HN 0.266 nan 8.280 nan 0.000 0.513 538 G N -0.968 107.723 108.800 -0.183 0.000 3.088 538 G HA2 0.011 3.971 3.960 -0.000 0.000 0.212 538 G HA3 0.011 3.971 3.960 -0.000 0.000 0.212 538 G C 0.674 175.622 174.900 0.081 0.000 1.173 538 G CA 0.083 45.196 45.100 0.020 0.000 0.779 538 G HN 0.331 nan 8.290 nan 0.000 0.540 539 K N -0.774 119.658 120.400 0.054 0.000 3.193 539 K HA -0.198 4.122 4.320 -0.000 0.000 0.294 539 K C 0.281 176.854 176.600 -0.045 0.000 1.185 539 K CA 0.831 57.145 56.287 0.045 0.000 0.866 539 K CB -0.987 31.486 32.500 -0.044 0.000 1.227 539 K HN 0.435 nan 8.250 nan 0.000 0.467 540 K N 1.486 121.912 120.400 0.043 0.000 2.414 540 K HA 0.087 4.407 4.320 -0.000 0.000 0.272 540 K C -2.013 174.546 176.600 -0.069 0.000 0.993 540 K CA -1.152 55.139 56.287 0.007 0.000 0.964 540 K CB 0.171 32.715 32.500 0.073 0.000 0.925 540 K HN -0.032 nan 8.250 nan 0.000 0.487 541 P HA -0.012 nan 4.420 nan 0.000 0.274 541 P C 0.156 177.432 177.300 -0.039 0.000 1.246 541 P CA -0.170 62.834 63.100 -0.160 0.000 0.795 541 P CB 0.383 32.019 31.700 -0.106 0.000 1.006 542 F N 0.204 120.204 119.950 0.083 0.000 2.250 542 F HA -0.153 4.374 4.527 -0.000 0.000 0.301 542 F C 2.218 178.055 175.800 0.062 0.000 1.077 542 F CA 1.621 59.653 58.000 0.053 0.000 1.348 542 F CB -1.151 37.816 39.000 -0.054 0.000 1.040 542 F HN 0.303 nan 8.300 nan 0.000 0.509 543 E N -0.075 120.224 120.200 0.164 0.000 2.153 543 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 543 E C 2.339 179.033 176.600 0.156 0.000 0.988 543 E CA 1.345 57.830 56.400 0.141 0.000 0.811 543 E CB -0.640 29.096 29.700 0.061 0.000 0.746 543 E HN 0.372 nan 8.360 nan 0.000 0.466 544 S N 0.233 116.005 115.700 0.119 0.000 2.440 544 S HA -0.158 4.312 4.470 -0.000 0.000 0.238 544 S C 1.806 176.453 174.600 0.079 0.000 1.010 544 S CA 0.812 59.072 58.200 0.101 0.000 0.972 544 S CB -0.417 62.838 63.200 0.092 0.000 0.774 544 S HN 0.253 nan 8.310 nan 0.000 0.501 545 L N 1.034 122.315 121.223 0.097 0.000 2.376 545 L HA 0.030 4.370 4.340 -0.000 0.000 0.219 545 L C 1.850 178.707 176.870 -0.022 0.000 1.133 545 L CA 0.756 55.608 54.840 0.020 0.000 0.816 545 L CB -0.431 41.631 42.059 0.004 0.000 0.933 545 L HN 0.248 nan 8.230 nan 0.000 0.449 546 D N -0.628 119.788 120.400 0.026 0.000 2.234 546 D HA -0.100 4.540 4.640 -0.000 0.000 0.205 546 D C 2.106 178.413 176.300 0.011 0.000 0.962 546 D CA 1.837 55.832 54.000 -0.008 0.000 0.855 546 D CB 0.225 41.058 40.800 0.055 0.000 0.951 546 D HN 0.406 nan 8.370 nan 0.000 0.500 547 T N -2.490 112.092 114.554 0.048 0.000 3.000 547 T HA 0.028 4.378 4.350 -0.000 0.000 0.248 547 T C 0.429 175.194 174.700 0.110 0.000 1.034 547 T CA -0.221 61.923 62.100 0.073 0.000 1.060 547 T CB 0.295 69.226 68.868 0.105 0.000 0.983 547 T HN -0.251 nan 8.240 nan 0.000 0.482 548 D N 2.147 122.584 120.400 0.060 0.000 2.557 548 D HA 0.464 5.104 4.640 -0.000 0.000 0.236 548 D C -0.708 175.490 176.300 -0.169 0.000 1.154 548 D CA -0.219 53.752 54.000 -0.049 0.000 0.985 548 D CB 0.447 41.057 40.800 -0.317 0.000 1.010 548 D HN 0.383 nan 8.370 nan 0.000 0.516 549 L N 2.758 124.001 121.223 0.033 0.000 2.334 549 L HA 0.449 4.789 4.340 -0.000 0.000 0.277 549 L C -1.925 175.061 176.870 0.193 0.000 1.075 549 L CA -1.294 53.604 54.840 0.097 0.000 0.804 549 L CB 1.348 43.484 42.059 0.128 0.000 1.174 549 L HN 0.096 nan 8.230 nan 0.000 0.438 550 P HA 0.406 nan 4.420 nan 0.000 0.293 550 P C -0.452 176.899 177.300 0.084 0.000 1.305 550 P CA -0.728 62.416 63.100 0.074 0.000 0.874 550 P CB 1.594 33.225 31.700 -0.114 0.000 1.288 551 R N -0.660 119.843 120.500 0.005 0.000 2.200 551 R HA 0.272 4.612 4.340 -0.000 0.000 0.208 551 R C 0.150 176.549 176.300 0.165 0.000 1.033 551 R CA 0.551 56.622 56.100 -0.048 0.000 1.000 551 R CB -0.816 29.487 30.300 0.005 0.000 0.906 551 R HN 0.572 nan 8.270 nan 0.000 0.462 552 F N -0.327 119.605 119.950 -0.031 0.000 2.651 552 F HA 0.267 4.794 4.527 -0.000 0.000 0.327 552 F C -1.404 174.336 175.800 -0.099 0.000 1.133 552 F CA -1.152 56.842 58.000 -0.009 0.000 1.076 552 F CB 1.188 40.320 39.000 0.219 0.000 1.315 552 F HN -0.237 nan 8.300 nan 0.000 0.499 553 M N 5.259 124.619 119.600 -0.399 0.000 2.111 553 M HA 0.270 4.750 4.480 -0.000 0.000 0.351 553 M C 0.351 176.632 176.300 -0.031 0.000 1.214 553 M CA 0.223 55.358 55.300 -0.275 0.000 1.120 553 M CB 0.826 33.036 32.600 -0.649 0.000 1.443 553 M HN 0.529 nan 8.290 nan 0.000 0.429 554 S N 2.387 118.218 115.700 0.218 0.000 2.524 554 S HA 0.294 4.764 4.470 -0.000 0.000 0.216 554 S C 0.124 174.662 174.600 -0.104 0.000 0.987 554 S CA -0.085 58.203 58.200 0.147 0.000 0.909 554 S CB -0.086 63.201 63.200 0.144 0.000 0.781 554 S HN 0.746 nan 8.310 nan 0.000 0.521 555 E N -0.067 120.073 120.200 -0.100 0.000 2.352 555 E HA 0.602 4.952 4.350 -0.000 0.000 0.280 555 E C -1.627 174.943 176.600 -0.049 0.000 0.930 555 E CA -0.832 55.532 56.400 -0.060 0.000 0.765 555 E CB 2.475 32.055 29.700 -0.200 0.000 1.219 555 E HN 0.434 nan 8.360 nan 0.000 0.434 556 F N -0.735 118.968 119.950 -0.413 0.000 2.725 556 F HA 0.791 5.318 4.527 -0.000 0.000 0.309 556 F C -0.831 174.659 175.800 -0.517 0.000 1.132 556 F CA -0.596 56.935 58.000 -0.782 0.000 0.957 556 F CB 1.439 40.210 39.000 -0.381 0.000 1.286 556 F HN 0.576 nan 8.300 nan 0.000 0.440 557 G N 1.016 109.299 108.800 -0.861 0.000 2.523 557 G HA2 0.587 4.547 3.960 -0.000 0.000 0.291 557 G HA3 0.587 4.547 3.960 -0.000 0.000 0.291 557 G C -2.822 172.172 174.900 0.155 0.000 1.450 557 G CA -0.871 44.042 45.100 -0.311 0.000 0.790 557 G HN 1.140 nan 8.290 nan 0.000 0.496 558 F N 0.058 120.042 119.950 0.056 0.000 2.635 558 F HA 0.592 5.119 4.527 -0.000 0.000 0.314 558 F C -0.314 175.198 175.800 -0.480 0.000 1.119 558 F CA -0.662 57.252 58.000 -0.144 0.000 1.000 558 F CB 2.244 41.254 39.000 0.016 0.000 1.278 558 F HN 0.608 nan 8.300 nan 0.000 0.446 559 Q N 2.839 121.537 119.800 -1.837 0.000 2.260 559 Q HA 0.671 5.011 4.340 -0.000 0.000 0.242 559 Q C -1.068 174.466 176.000 -0.778 0.000 0.932 559 Q CA -0.320 54.508 55.803 -1.627 0.000 0.891 559 Q CB 1.508 28.863 28.738 -2.305 0.000 1.222 559 Q HN 0.766 nan 8.270 nan 0.000 0.453 560 S N 1.371 116.748 115.700 -0.538 0.000 2.537 560 S HA 0.475 4.945 4.470 -0.000 0.000 0.270 560 S C -0.975 173.495 174.600 -0.217 0.000 1.142 560 S CA -0.850 57.189 58.200 -0.268 0.000 0.870 560 S CB 0.519 63.589 63.200 -0.217 0.000 1.112 560 S HN 0.425 nan 8.310 nan 0.000 0.466 561 F N 3.215 123.034 119.950 -0.219 0.000 2.563 561 F HA 0.349 4.875 4.527 -0.000 0.000 0.363 561 F C -1.369 174.348 175.800 -0.139 0.000 1.123 561 F CA -0.906 57.018 58.000 -0.128 0.000 1.307 561 F CB 0.412 39.356 39.000 -0.093 0.000 1.115 561 F HN 0.439 nan 8.300 nan 0.000 0.592 562 P HA 0.077 nan 4.420 nan 0.000 0.274 562 P C -0.870 176.477 177.300 0.078 0.000 1.256 562 P CA -0.559 62.568 63.100 0.045 0.000 0.795 562 P CB 0.598 32.349 31.700 0.086 0.000 1.038 563 E N 0.852 121.096 120.200 0.073 0.000 2.425 563 E HA 0.000 4.350 4.350 -0.000 0.000 0.258 563 E C 1.159 177.808 176.600 0.082 0.000 1.151 563 E CA -0.580 55.882 56.400 0.104 0.000 0.958 563 E CB 0.073 29.900 29.700 0.213 0.000 0.968 563 E HN 0.160 nan 8.360 nan 0.000 0.451 564 M N 1.455 121.089 119.600 0.058 0.000 2.108 564 M HA -0.228 4.252 4.480 -0.000 0.000 0.257 564 M C 2.067 178.335 176.300 -0.053 0.000 1.071 564 M CA 2.336 57.609 55.300 -0.046 0.000 1.093 564 M CB -1.432 31.135 32.600 -0.054 0.000 1.345 564 M HN 0.730 nan 8.290 nan 0.000 0.403 565 K N -1.188 119.219 120.400 0.012 0.000 2.147 565 K HA -0.096 4.224 4.320 -0.000 0.000 0.205 565 K C 1.701 178.282 176.600 -0.032 0.000 1.049 565 K CA 1.817 58.098 56.287 -0.009 0.000 0.936 565 K CB -0.766 31.737 32.500 0.004 0.000 0.722 565 K HN 0.208 nan 8.250 nan 0.000 0.446 566 T N 1.963 116.542 114.554 0.040 0.000 2.812 566 T HA 0.023 4.373 4.350 -0.000 0.000 0.264 566 T C 1.946 176.658 174.700 0.020 0.000 1.042 566 T CA 1.195 63.383 62.100 0.148 0.000 1.140 566 T CB -0.189 68.860 68.868 0.301 0.000 0.870 566 T HN 0.176 nan 8.240 nan 0.000 0.445 567 I N 1.643 122.115 120.570 -0.163 0.000 2.208 567 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 567 I C 2.935 178.644 176.117 -0.681 0.000 1.097 567 I CA 1.161 62.050 61.300 -0.685 0.000 1.363 567 I CB -0.535 37.231 38.000 -0.390 0.000 1.051 567 I HN 0.188 nan 8.210 nan 0.000 0.413 568 A N 0.760 123.424 122.820 -0.260 0.000 2.024 568 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 568 A C 2.475 180.056 177.584 -0.005 0.000 1.164 568 A CA 1.789 53.810 52.037 -0.027 0.000 0.643 568 A CB -0.651 18.381 19.000 0.053 0.000 0.806 568 A HN 0.466 nan 8.150 nan 0.000 0.451 569 A N -0.839 121.973 122.820 -0.013 0.000 2.066 569 A HA 0.180 4.500 4.320 -0.000 0.000 0.218 569 A C 1.702 179.451 177.584 0.276 0.000 1.157 569 A CA 1.299 53.441 52.037 0.176 0.000 0.670 569 A CB -0.578 18.554 19.000 0.220 0.000 0.804 569 A HN 1.085 nan 8.150 nan 0.000 0.453 570 F N -3.254 116.675 119.950 -0.036 0.000 2.746 570 F HA 0.744 5.271 4.527 -0.000 0.000 0.313 570 F C 0.421 175.778 175.800 -0.738 0.000 1.095 570 F CA -0.232 57.532 58.000 -0.393 0.000 1.224 570 F CB 0.107 38.795 39.000 -0.520 0.000 1.060 570 F HN 0.159 nan 8.300 nan 0.000 0.584 571 A N 1.317 123.778 122.820 -0.598 0.000 2.414 571 A HA 0.847 5.166 4.320 -0.000 0.000 0.306 571 A C -0.534 177.017 177.584 -0.056 0.000 1.054 571 A CA -0.469 51.371 52.037 -0.327 0.000 0.724 571 A CB 0.809 19.643 19.000 -0.277 0.000 1.267 571 A HN 0.497 nan 8.150 nan 0.000 0.418 572 A N 2.520 125.313 122.820 -0.044 0.000 2.322 572 A HA 0.670 4.990 4.320 -0.000 0.000 0.269 572 A C -1.701 175.566 177.584 -0.528 0.000 1.094 572 A CA -1.497 50.474 52.037 -0.110 0.000 0.807 572 A CB -0.073 18.926 19.000 -0.002 0.000 1.047 572 A HN 0.513 nan 8.150 nan 0.000 0.487 573 P HA -0.191 nan 4.420 nan 0.000 0.216 573 P C 0.696 177.539 177.300 -0.762 0.000 1.150 573 P CA 1.694 63.973 63.100 -1.369 0.000 0.843 573 P CB 0.103 31.411 31.700 -0.652 0.000 0.787 574 E N -0.676 119.287 120.200 -0.396 0.000 2.267 574 E HA -0.161 4.189 4.350 -0.000 0.000 0.197 574 E C 0.891 177.372 176.600 -0.199 0.000 0.998 574 E CA 1.145 57.411 56.400 -0.223 0.000 0.830 574 E CB -0.643 28.980 29.700 -0.128 0.000 0.751 574 E HN 0.422 nan 8.360 nan 0.000 0.491 575 D N -0.717 119.538 120.400 -0.242 0.000 2.431 575 D HA -0.021 4.619 4.640 -0.000 0.000 0.213 575 D C -0.241 175.962 176.300 -0.160 0.000 1.130 575 D CA -0.105 53.811 54.000 -0.141 0.000 0.834 575 D CB 0.115 40.877 40.800 -0.065 0.000 0.985 575 D HN 0.187 nan 8.370 nan 0.000 0.504 576 Y N 2.190 122.240 120.300 -0.417 0.000 3.040 576 Y HA 0.183 4.733 4.550 -0.000 0.000 0.356 576 Y C 0.413 175.730 175.900 -0.972 0.000 1.096 576 Y CA -0.097 57.479 58.100 -0.874 0.000 2.058 576 Y CB -1.386 36.760 38.460 -0.523 0.000 2.215 576 Y HN -0.065 nan 8.280 nan 0.000 0.404 577 Q N -0.922 118.515 119.800 -0.604 0.000 2.433 577 Q HA 0.435 4.775 4.340 -0.000 0.000 0.279 577 Q C 0.915 176.804 176.000 -0.184 0.000 1.105 577 Q CA -0.756 54.851 55.803 -0.328 0.000 0.815 577 Q CB 1.660 30.327 28.738 -0.118 0.000 1.403 577 Q HN 0.296 nan 8.270 nan 0.000 0.435 578 I N 0.643 121.265 120.570 0.087 0.000 2.335 578 I HA -0.239 3.931 4.170 -0.000 0.000 0.251 578 I C 0.798 177.038 176.117 0.206 0.000 1.129 578 I CA 1.361 62.791 61.300 0.217 0.000 1.402 578 I CB 0.224 38.200 38.000 -0.039 0.000 1.069 578 I HN 0.574 nan 8.210 nan 0.000 0.424 579 E N 0.400 120.653 120.200 0.087 0.000 2.734 579 E HA 0.152 4.502 4.350 -0.000 0.000 0.211 579 E C 0.404 177.037 176.600 0.055 0.000 0.991 579 E CA 0.000 56.449 56.400 0.081 0.000 1.065 579 E CB 0.257 29.986 29.700 0.049 0.000 1.047 579 E HN 0.381 nan 8.360 nan 0.000 0.470 580 S N 0.177 115.900 115.700 0.039 0.000 2.587 580 S HA 0.078 4.548 4.470 -0.000 0.000 0.260 580 S C 1.259 175.899 174.600 0.067 0.000 1.353 580 S CA -0.328 57.890 58.200 0.030 0.000 0.995 580 S CB 1.563 64.759 63.200 -0.005 0.000 0.912 580 S HN 0.099 nan 8.310 nan 0.000 0.568 581 E N 0.067 120.305 120.200 0.062 0.000 2.058 581 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 581 E C 2.010 178.683 176.600 0.121 0.000 0.997 581 E CA 1.470 57.919 56.400 0.081 0.000 0.801 581 E CB -0.372 29.372 29.700 0.072 0.000 0.746 581 E HN 0.530 nan 8.360 nan 0.000 0.450 582 V N 0.914 120.908 119.914 0.133 0.000 2.343 582 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 582 V C 2.285 178.546 176.094 0.277 0.000 1.051 582 V CA 1.597 64.017 62.300 0.199 0.000 1.036 582 V CB -0.299 31.607 31.823 0.137 0.000 0.654 582 V HN 0.269 nan 8.190 nan 0.000 0.451 583 M N 0.532 120.270 119.600 0.229 0.000 2.229 583 M HA -0.095 4.385 4.480 -0.000 0.000 0.264 583 M C 1.785 178.214 176.300 0.215 0.000 1.063 583 M CA 1.577 57.053 55.300 0.293 0.000 1.114 583 M CB -0.766 32.008 32.600 0.290 0.000 1.387 583 M HN 0.316 nan 8.290 nan 0.000 0.420 584 N N 0.142 118.941 118.700 0.164 0.000 2.244 584 N HA 0.003 4.743 4.740 -0.000 0.000 0.183 584 N C 1.649 177.217 175.510 0.098 0.000 1.016 584 N CA 1.453 54.571 53.050 0.113 0.000 0.866 584 N CB -0.606 37.934 38.487 0.089 0.000 0.980 584 N HN 0.433 nan 8.380 nan 0.000 0.430 585 A N 0.415 123.322 122.820 0.145 0.000 1.978 585 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 585 A C 0.749 178.322 177.584 -0.017 0.000 1.170 585 A CA 1.463 53.568 52.037 0.113 0.000 0.636 585 A CB -0.597 18.517 19.000 0.189 0.000 0.810 585 A HN 0.393 nan 8.150 nan 0.000 0.448 586 H N -1.920 117.046 119.070 -0.173 0.000 2.503 586 H HA 0.465 5.021 4.556 -0.000 0.000 0.296 586 H C -0.359 174.727 175.328 -0.404 0.000 1.097 586 H CA 0.261 55.996 56.048 -0.521 0.000 1.055 586 H CB 0.276 29.278 29.762 -1.266 0.000 1.580 586 H HN 0.485 nan 8.280 nan 0.000 0.546 587 Q N 1.019 120.763 119.800 -0.094 0.000 2.295 587 Q HA 0.264 4.604 4.340 -0.000 0.000 0.259 587 Q C -0.662 175.338 176.000 0.001 0.000 0.966 587 Q CA -0.607 55.132 55.803 -0.107 0.000 0.763 587 Q CB 0.854 29.536 28.738 -0.094 0.000 1.283 587 Q HN -0.070 nan 8.270 nan 0.000 0.445 588 K N 1.712 122.146 120.400 0.055 0.000 2.414 588 K HA 0.235 4.555 4.320 -0.000 0.000 0.204 588 K C -0.314 176.366 176.600 0.133 0.000 1.026 588 K CA -0.084 56.270 56.287 0.112 0.000 1.108 588 K CB 1.154 33.785 32.500 0.217 0.000 0.855 588 K HN 0.457 nan 8.250 nan 0.000 0.517 589 S N 1.193 116.972 115.700 0.131 0.000 2.438 589 S HA 0.147 4.617 4.470 -0.000 0.000 0.316 589 S C 1.165 175.842 174.600 0.128 0.000 1.084 589 S CA -0.471 57.853 58.200 0.206 0.000 1.107 589 S CB 1.019 64.392 63.200 0.290 0.000 0.981 589 S HN 0.286 nan 8.310 nan 0.000 0.466 590 S N 4.985 120.750 115.700 0.108 0.000 2.428 590 S HA -0.075 4.395 4.470 -0.000 0.000 0.230 590 S C 1.541 176.178 174.600 0.062 0.000 1.014 590 S CA 0.908 59.146 58.200 0.064 0.000 0.957 590 S CB -0.782 62.439 63.200 0.035 0.000 0.784 590 S HN 0.898 nan 8.310 nan 0.000 0.499 591 I N -1.011 119.606 120.570 0.078 0.000 3.728 591 I HA 0.456 4.626 4.170 -0.000 0.000 0.307 591 I C 2.101 178.199 176.117 -0.033 0.000 1.276 591 I CA 0.218 61.525 61.300 0.011 0.000 1.285 591 I CB -0.671 37.316 38.000 -0.022 0.000 1.038 591 I HN 0.234 nan 8.210 nan 0.000 0.445 592 G N 2.084 110.931 108.800 0.078 0.000 2.414 592 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.215 592 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.215 592 G C 1.320 176.307 174.900 0.144 0.000 1.188 592 G CA 0.729 45.933 45.100 0.174 0.000 0.783 592 G HN 0.327 nan 8.290 nan 0.000 0.537 593 N N 1.046 119.844 118.700 0.162 0.000 2.149 593 N HA -0.139 4.601 4.740 -0.000 0.000 0.188 593 N C 2.589 178.211 175.510 0.186 0.000 1.019 593 N CA 1.700 54.902 53.050 0.252 0.000 0.857 593 N CB -0.399 38.230 38.487 0.236 0.000 0.997 593 N HN 0.449 nan 8.380 nan 0.000 0.426 594 S N 0.063 115.816 115.700 0.089 0.000 2.395 594 S HA 0.018 4.488 4.470 -0.000 0.000 0.225 594 S C 1.927 176.557 174.600 0.049 0.000 1.027 594 S CA 0.213 58.449 58.200 0.061 0.000 0.965 594 S CB -0.357 62.856 63.200 0.023 0.000 0.812 594 S HN 0.065 nan 8.310 nan 0.000 0.482 595 L N 1.668 122.853 121.223 -0.062 0.000 2.046 595 L HA 0.144 4.484 4.340 -0.000 0.000 0.208 595 L C 2.312 179.266 176.870 0.140 0.000 1.077 595 L CA 1.364 56.115 54.840 -0.147 0.000 0.747 595 L CB -0.818 40.746 42.059 -0.824 0.000 0.896 595 L HN 0.392 nan 8.230 nan 0.000 0.432 596 I N -1.125 119.553 120.570 0.180 0.000 2.142 596 I HA -0.342 3.828 4.170 -0.000 0.000 0.240 596 I C 2.706 179.058 176.117 0.391 0.000 1.078 596 I CA 1.386 62.905 61.300 0.364 0.000 1.343 596 I CB -0.327 37.876 38.000 0.339 0.000 1.046 596 I HN 0.252 nan 8.210 nan 0.000 0.405 597 R N 0.472 121.186 120.500 0.357 0.000 2.091 597 R HA -0.176 4.164 4.340 -0.000 0.000 0.238 597 R C 2.245 178.680 176.300 0.225 0.000 1.136 597 R CA 2.142 58.436 56.100 0.323 0.000 0.959 597 R CB -0.324 30.116 30.300 0.233 0.000 0.856 597 R HN 0.277 nan 8.270 nan 0.000 0.437 598 T N -0.016 114.650 114.554 0.187 0.000 2.684 598 T HA -0.177 4.173 4.350 -0.000 0.000 0.267 598 T C 1.419 176.175 174.700 0.093 0.000 1.036 598 T CA 1.730 63.889 62.100 0.098 0.000 1.148 598 T CB -0.409 68.478 68.868 0.032 0.000 0.863 598 T HN 0.323 nan 8.240 nan 0.000 0.436 599 Y N 0.544 120.913 120.300 0.114 0.000 2.242 599 Y HA 0.058 4.608 4.550 0.000 0.000 0.291 599 Y C 2.536 178.521 175.900 0.141 0.000 1.137 599 Y CA 0.857 59.024 58.100 0.110 0.000 1.181 599 Y CB -0.393 38.204 38.460 0.228 0.000 0.989 599 Y HN 0.128 nan 8.280 nan 0.000 0.527 600 M N -0.031 119.772 119.600 0.337 0.000 2.065 600 M HA -0.268 4.212 4.480 -0.000 0.000 0.259 600 M C 2.359 178.786 176.300 0.212 0.000 1.069 600 M CA 1.886 57.343 55.300 0.262 0.000 1.110 600 M CB -0.241 32.457 32.600 0.163 0.000 1.328 600 M HN 0.178 nan 8.290 nan 0.000 0.405 601 E N 0.601 120.884 120.200 0.138 0.000 2.187 601 E HA -0.264 4.086 4.350 -0.000 0.000 0.199 601 E C 1.791 178.396 176.600 0.007 0.000 1.004 601 E CA 1.628 58.065 56.400 0.061 0.000 0.813 601 E CB -0.136 29.587 29.700 0.038 0.000 0.736 601 E HN 0.593 nan 8.360 nan 0.000 0.468 602 R N -0.217 120.285 120.500 0.003 0.000 2.148 602 R HA -0.051 4.289 4.340 -0.000 0.000 0.227 602 R C 1.392 177.632 176.300 -0.101 0.000 1.103 602 R CA 1.360 57.426 56.100 -0.057 0.000 0.983 602 R CB 0.145 30.395 30.300 -0.085 0.000 0.874 602 R HN 0.146 nan 8.270 nan 0.000 0.451 603 D N -2.200 118.122 120.400 -0.129 0.000 2.502 603 D HA 0.098 4.738 4.640 -0.000 0.000 0.232 603 D C -0.624 175.204 176.300 -0.788 0.000 1.137 603 D CA 0.396 54.135 54.000 -0.435 0.000 0.827 603 D CB 0.877 41.372 40.800 -0.508 0.000 1.141 603 D HN 0.015 nan 8.370 nan 0.000 0.517 604 Y N 0.141 120.385 120.300 -0.092 0.000 2.562 604 Y HA 0.416 4.966 4.550 -0.000 0.000 0.345 604 Y C -0.012 175.820 175.900 -0.113 0.000 1.045 604 Y CA -0.948 57.081 58.100 -0.118 0.000 1.028 604 Y CB 1.574 39.959 38.460 -0.124 0.000 1.297 604 Y HN -0.315 nan 8.280 nan 0.000 0.463 605 I N 3.081 123.641 120.570 -0.016 0.000 2.517 605 I HA 0.073 4.243 4.170 -0.000 0.000 0.285 605 I C -0.160 175.991 176.117 0.056 0.000 1.106 605 I CA -0.140 61.119 61.300 -0.068 0.000 1.402 605 I CB 0.175 37.977 38.000 -0.330 0.000 1.399 605 I HN 0.319 nan 8.210 nan 0.000 0.535 606 I N 8.255 128.871 120.570 0.076 0.000 2.581 606 I HA 0.067 4.237 4.170 -0.000 0.000 0.285 606 I C -1.717 174.480 176.117 0.133 0.000 1.129 606 I CA -1.349 60.027 61.300 0.128 0.000 1.397 606 I CB -0.867 37.215 38.000 0.137 0.000 1.399 606 I HN 0.488 nan 8.210 nan 0.000 0.537 607 P HA 0.238 nan 4.420 nan 0.000 0.274 607 P C 0.820 178.192 177.300 0.121 0.000 1.237 607 P CA -0.383 62.806 63.100 0.148 0.000 0.793 607 P CB 0.726 32.508 31.700 0.138 0.000 0.977 608 E N -0.050 120.209 120.200 0.099 0.000 2.046 608 E HA -0.046 4.304 4.350 -0.000 0.000 0.190 608 E C 0.739 177.380 176.600 0.069 0.000 0.982 608 E CA 1.024 57.467 56.400 0.071 0.000 0.800 608 E CB -0.686 29.054 29.700 0.067 0.000 0.756 608 E HN 0.582 nan 8.360 nan 0.000 0.449 609 S N 0.064 115.814 115.700 0.083 0.000 2.580 609 S HA 0.106 4.576 4.470 -0.000 0.000 0.274 609 S C 0.967 175.643 174.600 0.126 0.000 1.329 609 S CA -0.708 57.553 58.200 0.102 0.000 1.036 609 S CB 0.842 64.097 63.200 0.092 0.000 0.919 609 S HN 0.116 nan 8.310 nan 0.000 0.515 610 F N 2.218 122.175 119.950 0.011 0.000 2.120 610 F HA -0.116 4.411 4.527 -0.000 0.000 0.300 610 F C 2.019 177.837 175.800 0.030 0.000 1.095 610 F CA 2.236 60.231 58.000 -0.008 0.000 1.249 610 F CB -0.499 38.490 39.000 -0.019 0.000 0.995 610 F HN 0.738 nan 8.300 nan 0.000 0.480 611 E N 0.191 120.416 120.200 0.042 0.000 2.072 611 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 611 E C 1.890 178.471 176.600 -0.032 0.000 0.985 611 E CA 1.565 57.941 56.400 -0.040 0.000 0.801 611 E CB -0.418 29.310 29.700 0.046 0.000 0.750 611 E HN 0.392 nan 8.360 nan 0.000 0.452 612 D N -0.330 120.090 120.400 0.033 0.000 2.117 612 D HA -0.131 4.509 4.640 -0.000 0.000 0.198 612 D C 1.589 177.911 176.300 0.036 0.000 0.982 612 D CA 0.589 54.646 54.000 0.096 0.000 0.828 612 D CB -0.299 40.558 40.800 0.096 0.000 0.967 612 D HN 0.127 nan 8.370 nan 0.000 0.464 613 F N 1.156 120.997 119.950 -0.182 0.000 2.134 613 F HA -0.209 4.318 4.527 -0.000 0.000 0.299 613 F C 2.087 177.652 175.800 -0.391 0.000 1.097 613 F CA 1.026 58.859 58.000 -0.278 0.000 1.264 613 F CB -0.200 38.613 39.000 -0.312 0.000 1.001 613 F HN -0.209 nan 8.300 nan 0.000 0.479 614 V N 0.045 119.687 119.914 -0.454 0.000 2.295 614 V HA -0.322 3.798 4.120 -0.000 0.000 0.246 614 V C 2.146 178.042 176.094 -0.330 0.000 1.049 614 V CA 2.246 64.245 62.300 -0.501 0.000 1.024 614 V CB -1.173 30.356 31.823 -0.490 0.000 0.648 614 V HN 0.610 nan 8.190 nan 0.000 0.447 615 Y N 0.974 121.115 120.300 -0.264 0.000 2.128 615 Y HA -0.242 4.307 4.550 -0.000 0.000 0.284 615 Y C 2.306 178.042 175.900 -0.274 0.000 1.154 615 Y CA 2.038 60.033 58.100 -0.175 0.000 1.149 615 Y CB -0.747 37.698 38.460 -0.024 0.000 0.976 615 Y HN 0.052 nan 8.280 nan 0.000 0.505 616 V N 0.662 120.076 119.914 -0.835 0.000 2.407 616 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 616 V C 2.672 178.244 176.094 -0.870 0.000 1.055 616 V CA 1.866 63.566 62.300 -0.999 0.000 1.049 616 V CB -1.589 29.813 31.823 -0.702 0.000 0.662 616 V HN 0.656 nan 8.190 nan 0.000 0.455 617 G N -0.152 108.187 108.800 -0.768 0.000 2.432 617 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.219 617 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.219 617 G C 1.572 176.193 174.900 -0.464 0.000 1.135 617 G CA 0.839 45.571 45.100 -0.613 0.000 0.767 617 G HN 0.481 nan 8.290 nan 0.000 0.550 618 L N 0.117 121.038 121.223 -0.502 0.000 2.046 618 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 618 L C 2.956 179.442 176.870 -0.640 0.000 1.077 618 L CA 0.444 54.956 54.840 -0.546 0.000 0.747 618 L CB -0.503 41.201 42.059 -0.591 0.000 0.896 618 L HN 0.079 nan 8.230 nan 0.000 0.432 619 V N -0.150 119.370 119.914 -0.657 0.000 2.358 619 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 619 V C 2.370 178.153 176.094 -0.517 0.000 1.047 619 V CA 1.601 63.551 62.300 -0.583 0.000 1.035 619 V CB -0.363 31.086 31.823 -0.625 0.000 0.658 619 V HN 0.316 nan 8.190 nan 0.000 0.452 620 L N 0.205 121.074 121.223 -0.590 0.000 1.970 620 L HA -0.248 4.092 4.340 -0.000 0.000 0.212 620 L C 2.530 179.163 176.870 -0.396 0.000 1.071 620 L CA 2.500 57.108 54.840 -0.386 0.000 0.751 620 L CB -0.970 40.906 42.059 -0.305 0.000 0.889 620 L HN 0.401 nan 8.230 nan 0.000 0.432 621 Q N -0.789 118.834 119.800 -0.295 0.000 2.112 621 Q HA -0.211 4.129 4.340 -0.000 0.000 0.206 621 Q C 2.004 177.748 176.000 -0.425 0.000 0.987 621 Q CA 2.053 57.718 55.803 -0.229 0.000 0.858 621 Q CB -0.559 28.125 28.738 -0.090 0.000 0.905 621 Q HN 0.698 nan 8.270 nan 0.000 0.420 622 G N 0.325 108.853 108.800 -0.453 0.000 2.421 622 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.216 622 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.216 622 G C 1.376 176.018 174.900 -0.429 0.000 1.171 622 G CA 0.624 45.452 45.100 -0.453 0.000 0.775 622 G HN 0.304 nan 8.290 nan 0.000 0.543 623 Q N 0.324 119.878 119.800 -0.409 0.000 2.079 623 Q HA -0.035 4.304 4.340 -0.000 0.000 0.200 623 Q C 2.830 178.517 176.000 -0.523 0.000 0.974 623 Q CA 1.479 57.070 55.803 -0.353 0.000 0.840 623 Q CB -0.748 27.858 28.738 -0.221 0.000 0.898 623 Q HN 0.452 nan 8.270 nan 0.000 0.430 624 G N 0.361 108.592 108.800 -0.947 0.000 2.394 624 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.215 624 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.215 624 G C 1.467 175.709 174.900 -1.098 0.000 1.165 624 G CA 0.373 44.356 45.100 -1.860 0.000 0.784 624 G HN 0.133 nan 8.290 nan 0.000 0.535 625 M N 1.244 120.393 119.600 -0.751 0.000 2.132 625 M HA -0.035 4.445 4.480 -0.000 0.000 0.263 625 M C 2.661 178.816 176.300 -0.240 0.000 1.065 625 M CA 1.535 56.613 55.300 -0.370 0.000 1.122 625 M CB -0.841 31.458 32.600 -0.503 0.000 1.365 625 M HN 0.406 nan 8.290 nan 0.000 0.411 626 R N -0.948 119.360 120.500 -0.319 0.000 2.120 626 R HA -0.178 4.162 4.340 -0.000 0.000 0.234 626 R C 1.985 178.188 176.300 -0.162 0.000 1.123 626 R CA 2.016 57.968 56.100 -0.247 0.000 0.975 626 R CB -1.463 28.687 30.300 -0.250 0.000 0.866 626 R HN 0.384 nan 8.270 nan 0.000 0.446 627 H N 0.072 118.998 119.070 -0.239 0.000 2.352 627 H HA 0.004 4.560 4.556 -0.000 0.000 0.299 627 H C 2.044 177.261 175.328 -0.185 0.000 1.097 627 H CA 2.310 58.250 56.048 -0.180 0.000 1.311 627 H CB -0.519 29.139 29.762 -0.174 0.000 1.377 627 H HN 0.403 nan 8.280 nan 0.000 0.504 628 G N 0.134 108.866 108.800 -0.114 0.000 2.394 628 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.215 628 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.215 628 G C 1.750 176.238 174.900 -0.687 0.000 1.165 628 G CA 0.673 45.543 45.100 -0.384 0.000 0.784 628 G HN 0.391 nan 8.290 nan 0.000 0.535 629 L N 0.287 121.405 121.223 -0.176 0.000 2.013 629 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 629 L C 2.920 179.729 176.870 -0.103 0.000 1.073 629 L CA 1.706 56.543 54.840 -0.005 0.000 0.753 629 L CB -0.542 41.525 42.059 0.014 0.000 0.890 629 L HN 0.326 nan 8.230 nan 0.000 0.432 630 E N 0.063 120.143 120.200 -0.201 0.000 2.058 630 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 630 E C 2.307 178.738 176.600 -0.282 0.000 0.997 630 E CA 1.251 57.520 56.400 -0.218 0.000 0.801 630 E CB -0.254 29.305 29.700 -0.236 0.000 0.746 630 E HN 0.516 nan 8.360 nan 0.000 0.450 631 A N 1.089 123.665 122.820 -0.408 0.000 1.917 631 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 631 A C 1.740 179.228 177.584 -0.160 0.000 1.182 631 A CA 1.930 53.759 52.037 -0.347 0.000 0.633 631 A CB -0.983 17.782 19.000 -0.393 0.000 0.819 631 A HN 0.359 nan 8.150 nan 0.000 0.448 632 H N -0.986 118.025 119.070 -0.098 0.000 2.293 632 H HA -0.078 4.478 4.556 -0.000 0.000 0.300 632 H C 2.521 177.903 175.328 0.089 0.000 1.082 632 H CA 1.245 57.319 56.048 0.042 0.000 1.308 632 H CB -0.105 29.707 29.762 0.083 0.000 1.375 632 H HN 0.390 nan 8.280 nan 0.000 0.495 633 R N 0.704 121.184 120.500 -0.033 0.000 2.094 633 R HA -0.184 4.156 4.340 -0.000 0.000 0.239 633 R C 2.489 178.603 176.300 -0.310 0.000 1.137 633 R CA 1.524 57.295 56.100 -0.549 0.000 0.943 633 R CB -0.370 29.659 30.300 -0.452 0.000 0.850 633 R HN 0.298 nan 8.270 nan 0.000 0.433 634 R N 0.805 121.166 120.500 -0.232 0.000 2.139 634 R HA -0.102 4.238 4.340 -0.000 0.000 0.243 634 R C 1.063 177.251 176.300 -0.186 0.000 1.145 634 R CA 1.467 57.401 56.100 -0.278 0.000 0.976 634 R CB -0.068 29.952 30.300 -0.466 0.000 0.866 634 R HN 0.271 nan 8.270 nan 0.000 0.449 635 N N 0.833 119.489 118.700 -0.072 0.000 2.268 635 N HA -0.048 4.692 4.740 -0.000 0.000 0.204 635 N C -0.240 175.372 175.510 0.170 0.000 1.124 635 N CA -0.109 52.967 53.050 0.044 0.000 0.838 635 N CB 0.238 38.770 38.487 0.075 0.000 0.994 635 N HN 0.200 nan 8.380 nan 0.000 0.489 636 R N 2.568 123.155 120.500 0.146 0.000 2.585 636 R HA -0.002 4.338 4.340 -0.000 0.000 0.275 636 R C -1.559 174.825 176.300 0.139 0.000 1.018 636 R CA -0.521 55.691 56.100 0.186 0.000 1.072 636 R CB 0.612 30.982 30.300 0.117 0.000 0.953 636 R HN -0.015 nan 8.270 nan 0.000 0.419 637 P HA -0.023 nan 4.420 nan 0.000 0.261 637 P C 0.359 177.749 177.300 0.149 0.000 1.268 637 P CA 0.210 63.383 63.100 0.122 0.000 0.833 637 P CB -0.055 31.663 31.700 0.031 0.000 1.231 638 Y N 0.857 121.217 120.300 0.099 0.000 2.081 638 Y HA -0.175 4.375 4.550 0.000 0.000 0.280 638 Y C 1.178 177.161 175.900 0.138 0.000 1.163 638 Y CA 1.286 59.453 58.100 0.111 0.000 1.135 638 Y CB -0.616 37.904 38.460 0.100 0.000 0.970 638 Y HN 0.033 nan 8.280 nan 0.000 0.498 639 C N 2.024 121.502 119.300 0.298 0.000 2.350 639 C HA 0.403 4.863 4.460 -0.000 0.000 0.348 639 C C 0.607 175.739 174.990 0.236 0.000 1.260 639 C CA -0.734 58.410 59.018 0.209 0.000 1.966 639 C CB 0.084 27.983 27.740 0.266 0.000 2.380 639 C HN 0.628 nan 8.230 nan 0.000 0.535 640 M N 4.503 124.128 119.600 0.041 0.000 2.504 640 M HA 0.324 4.804 4.480 -0.000 0.000 0.370 640 M C 0.358 176.180 176.300 -0.797 0.000 1.110 640 M CA 0.159 55.416 55.300 -0.072 0.000 0.938 640 M CB 0.090 32.820 32.600 0.217 0.000 1.460 640 M HN 1.003 nan 8.290 nan 0.000 0.535 641 G N -0.344 107.606 108.800 -1.417 0.000 2.442 641 G HA2 0.378 4.338 3.960 -0.000 0.000 0.296 641 G HA3 0.378 4.338 3.960 -0.000 0.000 0.296 641 G C -1.657 172.411 174.900 -1.386 0.000 1.564 641 G CA -0.371 43.618 45.100 -1.851 0.000 0.828 641 G HN -0.096 nan 8.290 nan 0.000 0.571 642 T N 0.578 114.637 114.554 -0.824 0.000 3.109 642 T HA 0.601 4.951 4.350 -0.000 0.000 0.311 642 T C -1.102 173.561 174.700 -0.061 0.000 1.011 642 T CA -0.440 61.486 62.100 -0.291 0.000 1.026 642 T CB 0.547 69.549 68.868 0.223 0.000 1.047 642 T HN 0.566 nan 8.240 nan 0.000 0.448 643 L N 6.652 127.866 121.223 -0.015 0.000 2.342 643 L HA 0.531 4.871 4.340 -0.000 0.000 0.276 643 L C -0.269 176.641 176.870 0.067 0.000 0.997 643 L CA -1.319 53.508 54.840 -0.022 0.000 0.838 643 L CB 0.999 43.002 42.059 -0.093 0.000 1.224 643 L HN 0.719 nan 8.230 nan 0.000 0.416 644 Y N 0.524 120.863 120.300 0.064 0.000 2.314 644 Y HA 0.315 4.865 4.550 0.000 0.000 0.334 644 Y C -0.383 175.398 175.900 -0.199 0.000 1.266 644 Y CA -0.830 57.173 58.100 -0.161 0.000 1.391 644 Y CB 0.871 39.073 38.460 -0.430 0.000 1.306 644 Y HN 0.561 nan 8.280 nan 0.000 0.558 645 W N 6.447 127.672 121.300 -0.125 0.000 2.291 645 W HA 0.357 5.017 4.660 0.000 0.000 0.312 645 W C -1.471 175.057 176.519 0.014 0.000 1.061 645 W CA -0.635 56.644 57.345 -0.111 0.000 1.296 645 W CB 1.317 30.808 29.460 0.053 0.000 1.223 645 W HN 0.924 nan 8.180 nan 0.000 0.421 646 Q N 4.013 123.556 119.800 -0.428 0.000 2.553 646 Q HA 0.263 4.603 4.340 -0.000 0.000 0.293 646 Q C -0.454 175.228 176.000 -0.529 0.000 1.038 646 Q CA -0.830 54.352 55.803 -1.035 0.000 0.777 646 Q CB 1.895 29.549 28.738 -1.806 0.000 1.487 646 Q HN 0.418 nan 8.270 nan 0.000 0.426 647 L N 1.057 121.904 121.223 -0.627 0.000 2.072 647 L HA 0.075 4.415 4.340 -0.000 0.000 0.205 647 L C -0.019 176.625 176.870 -0.377 0.000 1.079 647 L CA 1.860 56.466 54.840 -0.391 0.000 0.752 647 L CB -0.175 41.655 42.059 -0.382 0.000 0.906 647 L HN 0.874 nan 8.230 nan 0.000 0.436 648 N N -2.177 116.214 118.700 -0.516 0.000 2.774 648 N HA 0.278 5.018 4.740 -0.000 0.000 0.264 648 N C -1.677 173.523 175.510 -0.516 0.000 1.415 648 N CA -0.669 52.107 53.050 -0.456 0.000 0.815 648 N CB 1.179 39.414 38.487 -0.419 0.000 1.514 648 N HN -0.137 nan 8.380 nan 0.000 0.523 649 D N -0.819 119.365 120.400 -0.360 0.000 2.527 649 D HA 0.319 4.959 4.640 -0.000 0.000 0.233 649 D C 0.290 176.526 176.300 -0.107 0.000 1.063 649 D CA -0.365 53.475 54.000 -0.267 0.000 0.880 649 D CB 2.149 42.865 40.800 -0.140 0.000 1.457 649 D HN 0.607 nan 8.370 nan 0.000 0.475 650 S N 0.103 115.787 115.700 -0.027 0.000 2.535 650 S HA 0.159 4.629 4.470 -0.000 0.000 0.214 650 S C 0.350 174.908 174.600 -0.070 0.000 0.980 650 S CA -0.334 57.926 58.200 0.101 0.000 0.907 650 S CB 0.290 63.601 63.200 0.186 0.000 0.790 650 S HN 0.602 nan 8.310 nan 0.000 0.510 651 W N -0.323 120.565 121.300 -0.687 0.000 2.989 651 W HA 0.545 5.205 4.660 -0.000 0.000 0.344 651 W C -3.874 172.139 176.519 -0.844 0.000 1.233 651 W CA -2.648 53.771 57.345 -1.543 0.000 1.187 651 W CB -0.217 28.215 29.460 -1.714 0.000 1.443 651 W HN -0.242 nan 8.180 nan 0.000 0.573 652 P HA 0.330 nan 4.420 nan 0.000 0.270 652 P C -0.523 176.125 177.300 -1.086 0.000 1.242 652 P CA 0.451 63.262 63.100 -0.482 0.000 0.768 652 P CB 1.310 33.082 31.700 0.119 0.000 0.820 653 V N 4.298 123.707 119.914 -0.841 0.000 3.225 653 V HA 0.232 4.352 4.120 -0.000 0.000 0.293 653 V C -1.114 174.670 176.094 -0.517 0.000 1.405 653 V CA -0.938 60.786 62.300 -0.959 0.000 1.038 653 V CB 2.622 33.800 31.823 -1.074 0.000 1.123 653 V HN 0.068 nan 8.190 nan 0.000 0.447 654 V N 4.711 124.315 119.914 -0.516 0.000 2.470 654 V HA 0.723 4.843 4.120 -0.000 0.000 0.276 654 V C 0.437 176.243 176.094 -0.481 0.000 1.040 654 V CA 0.936 62.904 62.300 -0.553 0.000 1.008 654 V CB 0.468 31.808 31.823 -0.806 0.000 0.990 654 V HN 1.174 nan 8.190 nan 0.000 0.477 655 S N 3.843 119.243 115.700 -0.501 0.000 2.727 655 S HA 0.443 4.913 4.470 -0.000 0.000 0.278 655 S C -0.259 173.994 174.600 -0.578 0.000 1.186 655 S CA -0.845 57.060 58.200 -0.491 0.000 0.836 655 S CB 1.187 64.361 63.200 -0.044 0.000 1.186 655 S HN 0.536 nan 8.310 nan 0.000 0.499 656 W N 2.502 123.664 121.300 -0.229 0.000 3.180 656 W HA 0.205 4.864 4.660 -0.000 0.000 0.254 656 W C 1.155 177.503 176.519 -0.286 0.000 1.318 656 W CA 0.154 57.348 57.345 -0.252 0.000 1.608 656 W CB -0.556 28.904 29.460 -0.001 0.000 1.124 656 W HN 0.784 nan 8.180 nan 0.000 0.694 657 S N 0.656 116.273 115.700 -0.138 0.000 2.576 657 S HA 0.046 4.516 4.470 -0.000 0.000 0.272 657 S C 1.208 175.686 174.600 -0.204 0.000 1.352 657 S CA 0.283 58.351 58.200 -0.220 0.000 1.021 657 S CB 1.571 64.612 63.200 -0.266 0.000 0.887 657 S HN 0.120 nan 8.310 nan 0.000 0.542 658 S N 0.555 116.151 115.700 -0.174 0.000 2.511 658 S HA 0.356 4.826 4.470 -0.000 0.000 0.214 658 S C 0.181 174.629 174.600 -0.253 0.000 0.997 658 S CA -0.487 57.594 58.200 -0.198 0.000 0.908 658 S CB -0.566 62.568 63.200 -0.110 0.000 0.803 658 S HN 0.690 nan 8.310 nan 0.000 0.504 659 I N 3.282 123.682 120.570 -0.283 0.000 2.499 659 I HA 0.349 4.518 4.170 -0.000 0.000 0.288 659 I C -0.889 175.123 176.117 -0.175 0.000 1.048 659 I CA -0.964 60.173 61.300 -0.271 0.000 1.062 659 I CB 1.978 39.728 38.000 -0.417 0.000 1.238 659 I HN 0.120 nan 8.210 nan 0.000 0.426 660 D N 4.548 124.904 120.400 -0.074 0.000 2.414 660 D HA -0.093 4.547 4.640 -0.000 0.000 0.251 660 D C 1.048 177.326 176.300 -0.037 0.000 1.252 660 D CA -0.068 53.911 54.000 -0.035 0.000 0.999 660 D CB 0.500 41.335 40.800 0.058 0.000 1.093 660 D HN 0.548 nan 8.370 nan 0.000 0.515 661 Y N -0.138 120.056 120.300 -0.176 0.000 2.241 661 Y HA -0.244 4.306 4.550 0.000 0.000 0.286 661 Y C 1.072 176.785 175.900 -0.312 0.000 1.166 661 Y CA 1.555 59.471 58.100 -0.306 0.000 1.203 661 Y CB -0.317 37.864 38.460 -0.465 0.000 0.977 661 Y HN 0.414 nan 8.280 nan 0.000 0.529 662 Y N -0.450 119.794 120.300 -0.093 0.000 2.466 662 Y HA 0.297 4.847 4.550 -0.000 0.000 0.272 662 Y C 1.910 177.765 175.900 -0.075 0.000 1.169 662 Y CA 0.287 58.320 58.100 -0.112 0.000 1.285 662 Y CB 0.189 38.681 38.460 0.053 0.000 1.078 662 Y HN 0.191 nan 8.280 nan 0.000 0.523 663 G N -0.029 108.787 108.800 0.026 0.000 2.157 663 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.239 663 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.239 663 G C -0.172 174.826 174.900 0.163 0.000 0.982 663 G CA -0.299 44.831 45.100 0.050 0.000 0.650 663 G HN 0.271 nan 8.290 nan 0.000 0.527 664 N N 0.469 119.284 118.700 0.192 0.000 2.470 664 N HA 0.261 5.001 4.740 -0.000 0.000 0.268 664 N C -0.021 175.669 175.510 0.300 0.000 1.136 664 N CA -0.036 53.173 53.050 0.265 0.000 0.961 664 N CB 0.422 39.063 38.487 0.258 0.000 1.067 664 N HN 0.225 nan 8.380 nan 0.000 0.468 665 W N 2.660 123.969 121.300 0.016 0.000 2.381 665 W HA 0.119 4.779 4.660 -0.000 0.000 0.321 665 W C 1.134 177.674 176.519 0.036 0.000 1.407 665 W CA -0.247 57.038 57.345 -0.100 0.000 1.274 665 W CB -0.042 29.226 29.460 -0.319 0.000 1.310 665 W HN 0.222 nan 8.180 nan 0.000 0.551 666 K N 2.222 122.654 120.400 0.053 0.000 2.140 666 K HA 0.382 4.702 4.320 -0.000 0.000 0.237 666 K C 1.318 177.786 176.600 -0.221 0.000 1.045 666 K CA -0.047 56.157 56.287 -0.140 0.000 0.896 666 K CB 0.462 32.805 32.500 -0.262 0.000 1.122 666 K HN 0.433 nan 8.250 nan 0.000 0.503 667 A N 0.981 123.257 122.820 -0.907 0.000 1.917 667 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 667 A C 2.003 179.360 177.584 -0.378 0.000 1.182 667 A CA 1.692 53.152 52.037 -0.961 0.000 0.633 667 A CB -0.608 17.527 19.000 -1.441 0.000 0.819 667 A HN 0.626 nan 8.150 nan 0.000 0.448 668 L N -0.917 120.042 121.223 -0.439 0.000 2.127 668 L HA -0.197 4.143 4.340 -0.000 0.000 0.211 668 L C 2.149 178.756 176.870 -0.439 0.000 1.089 668 L CA 2.757 57.324 54.840 -0.455 0.000 0.757 668 L CB -0.932 40.818 42.059 -0.515 0.000 0.899 668 L HN 0.600 nan 8.230 nan 0.000 0.434 669 H N -2.321 116.480 119.070 -0.448 0.000 2.395 669 H HA -0.102 4.454 4.556 -0.000 0.000 0.299 669 H C 1.811 176.826 175.328 -0.522 0.000 1.070 669 H CA 2.032 57.703 56.048 -0.628 0.000 1.356 669 H CB -0.063 29.102 29.762 -0.995 0.000 1.401 669 H HN 0.441 nan 8.280 nan 0.000 0.524 670 Y N 0.230 120.530 120.300 0.000 0.000 2.163 670 Y HA -0.208 4.342 4.550 0.000 0.000 0.288 670 Y C 2.583 178.440 175.900 -0.073 0.000 1.136 670 Y CA 1.065 59.257 58.100 0.153 0.000 1.147 670 Y CB -0.235 38.395 38.460 0.284 0.000 0.987 670 Y HN 0.221 nan 8.280 nan 0.000 0.509 671 Q N 0.008 119.791 119.800 -0.029 0.000 2.135 671 Q HA -0.186 4.154 4.340 -0.000 0.000 0.204 671 Q C 2.538 178.330 176.000 -0.347 0.000 0.981 671 Q CA 1.451 57.146 55.803 -0.180 0.000 0.856 671 Q CB -0.703 27.881 28.738 -0.257 0.000 0.902 671 Q HN 0.559 nan 8.270 nan 0.000 0.425 672 A N 1.459 123.955 122.820 -0.540 0.000 1.898 672 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 672 A C 2.152 179.326 177.584 -0.683 0.000 1.181 672 A CA 1.649 53.181 52.037 -0.843 0.000 0.620 672 A CB -0.440 18.020 19.000 -0.900 0.000 0.819 672 A HN 0.327 nan 8.150 nan 0.000 0.442 673 K N -0.102 120.043 120.400 -0.425 0.000 2.020 673 K HA -0.231 4.089 4.320 -0.000 0.000 0.212 673 K C 2.218 178.796 176.600 -0.037 0.000 1.050 673 K CA 1.823 58.019 56.287 -0.152 0.000 0.929 673 K CB -0.236 32.256 32.500 -0.013 0.000 0.714 673 K HN 0.456 nan 8.250 nan 0.000 0.443 674 R N -0.013 120.462 120.500 -0.042 0.000 2.073 674 R HA -0.095 4.245 4.340 -0.000 0.000 0.234 674 R C 2.450 178.729 176.300 -0.035 0.000 1.134 674 R CA 1.432 57.526 56.100 -0.011 0.000 0.952 674 R CB -0.478 29.823 30.300 0.002 0.000 0.850 674 R HN 0.295 nan 8.270 nan 0.000 0.433 675 A N 0.356 123.094 122.820 -0.138 0.000 2.067 675 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 675 A C 1.333 178.985 177.584 0.113 0.000 1.158 675 A CA 0.973 52.949 52.037 -0.102 0.000 0.661 675 A CB -0.216 18.643 19.000 -0.235 0.000 0.801 675 A HN 0.192 nan 8.150 nan 0.000 0.452 676 F N -0.282 119.643 119.950 -0.042 0.000 2.727 676 F HA 0.435 4.962 4.527 -0.000 0.000 0.302 676 F C 1.512 177.299 175.800 -0.022 0.000 1.097 676 F CA -0.857 57.126 58.000 -0.028 0.000 1.330 676 F CB -1.015 37.966 39.000 -0.032 0.000 1.084 676 F HN 0.169 nan 8.300 nan 0.000 0.578 677 A N 1.582 124.497 122.820 0.158 0.000 2.565 677 A HA 0.091 4.411 4.320 -0.000 0.000 0.237 677 A C -1.170 176.459 177.584 0.075 0.000 1.053 677 A CA -0.695 51.401 52.037 0.097 0.000 0.755 677 A CB -0.295 18.745 19.000 0.066 0.000 0.980 677 A HN 0.076 nan 8.150 nan 0.000 0.506 678 P HA -0.099 nan 4.420 nan 0.000 0.216 678 P C 0.033 177.366 177.300 0.056 0.000 1.154 678 P CA 1.172 64.313 63.100 0.068 0.000 0.865 678 P CB 0.032 31.780 31.700 0.080 0.000 0.789 679 V N 0.273 120.214 119.914 0.046 0.000 2.409 679 V HA 0.381 4.501 4.120 -0.000 0.000 0.291 679 V C -0.401 175.707 176.094 0.024 0.000 1.020 679 V CA -0.672 61.647 62.300 0.032 0.000 0.848 679 V CB 1.705 33.545 31.823 0.028 0.000 0.990 679 V HN -0.168 nan 8.190 nan 0.000 0.430 680 L N 6.894 128.127 121.223 0.017 0.000 2.404 680 L HA 0.644 4.984 4.340 -0.000 0.000 0.272 680 L C -0.565 176.314 176.870 0.015 0.000 0.980 680 L CA -0.024 54.823 54.840 0.013 0.000 0.836 680 L CB 1.564 43.625 42.059 0.004 0.000 1.238 680 L HN 0.568 nan 8.230 nan 0.000 0.408 681 I N 4.765 125.343 120.570 0.013 0.000 2.379 681 I HA 0.229 4.399 4.170 -0.000 0.000 0.290 681 I C 0.297 176.430 176.117 0.027 0.000 1.063 681 I CA 0.201 61.513 61.300 0.020 0.000 1.351 681 I CB 0.394 38.396 38.000 0.004 0.000 1.410 681 I HN 0.658 nan 8.210 nan 0.000 0.505 682 N N 8.896 127.628 118.700 0.053 0.000 2.626 682 N HA 0.340 5.080 4.740 -0.000 0.000 0.242 682 N C -2.673 172.882 175.510 0.076 0.000 1.005 682 N CA -1.647 51.429 53.050 0.042 0.000 0.905 682 N CB 1.480 39.971 38.487 0.007 0.000 1.128 682 N HN 0.242 nan 8.380 nan 0.000 0.512 683 P HA 0.185 nan 4.420 nan 0.000 0.282 683 P C -0.814 176.463 177.300 -0.039 0.000 1.262 683 P CA -0.345 62.717 63.100 -0.063 0.000 0.773 683 P CB 1.240 32.785 31.700 -0.259 0.000 0.879 684 I N 2.089 122.673 120.570 0.023 0.000 2.466 684 I HA 0.352 4.522 4.170 -0.000 0.000 0.289 684 I C -0.919 175.264 176.117 0.110 0.000 1.026 684 I CA -0.719 60.628 61.300 0.078 0.000 1.078 684 I CB 1.917 39.941 38.000 0.041 0.000 1.249 684 I HN 0.250 nan 8.210 nan 0.000 0.429 685 Q N 6.655 126.564 119.800 0.183 0.000 2.341 685 Q HA 0.563 4.903 4.340 -0.000 0.000 0.268 685 Q C -1.582 174.531 176.000 0.189 0.000 1.013 685 Q CA -0.564 55.367 55.803 0.213 0.000 0.798 685 Q CB 1.282 30.235 28.738 0.358 0.000 1.253 685 Q HN 0.752 nan 8.270 nan 0.000 0.457 686 Q N 2.255 122.147 119.800 0.153 0.000 2.416 686 Q HA 0.312 4.652 4.340 -0.000 0.000 0.281 686 Q C -0.906 175.157 176.000 0.105 0.000 1.067 686 Q CA -0.870 55.007 55.803 0.122 0.000 0.809 686 Q CB 1.840 30.642 28.738 0.107 0.000 1.418 686 Q HN 0.830 nan 8.270 nan 0.000 0.411 687 N N 1.520 120.271 118.700 0.084 0.000 2.707 687 N HA -0.256 4.484 4.740 -0.000 0.000 0.253 687 N C -1.041 174.514 175.510 0.074 0.000 0.998 687 N CA 0.880 53.971 53.050 0.069 0.000 0.751 687 N CB -0.780 37.743 38.487 0.059 0.000 0.920 687 N HN 0.855 nan 8.380 nan 0.000 0.539 688 D N -1.428 119.024 120.400 0.087 0.000 2.837 688 D HA -0.200 4.440 4.640 -0.000 0.000 0.230 688 D C -0.942 175.429 176.300 0.118 0.000 1.152 688 D CA 1.643 55.699 54.000 0.093 0.000 0.736 688 D CB -0.746 40.091 40.800 0.062 0.000 1.084 688 D HN 0.494 nan 8.370 nan 0.000 0.429 689 S N -0.719 115.064 115.700 0.138 0.000 2.536 689 S HA 0.677 5.146 4.470 -0.000 0.000 0.287 689 S C -1.277 173.438 174.600 0.192 0.000 1.101 689 S CA -0.977 57.316 58.200 0.155 0.000 0.950 689 S CB 1.323 64.585 63.200 0.103 0.000 1.056 689 S HN 0.290 nan 8.310 nan 0.000 0.481 690 L N 3.821 125.191 121.223 0.245 0.000 2.309 690 L HA 0.763 5.103 4.340 -0.000 0.000 0.282 690 L C -0.458 176.521 176.870 0.182 0.000 1.036 690 L CA 0.387 55.371 54.840 0.240 0.000 0.806 690 L CB 1.691 43.981 42.059 0.385 0.000 1.220 690 L HN 0.652 nan 8.230 nan 0.000 0.429 691 S N 2.878 118.673 115.700 0.158 0.000 2.536 691 S HA 0.788 5.258 4.470 -0.000 0.000 0.298 691 S C -1.133 173.565 174.600 0.163 0.000 1.083 691 S CA -0.589 57.692 58.200 0.135 0.000 0.995 691 S CB 2.070 65.373 63.200 0.172 0.000 1.058 691 S HN 0.412 nan 8.310 nan 0.000 0.488 692 V N 2.950 122.926 119.914 0.104 0.000 2.448 692 V HA 0.468 4.588 4.120 -0.000 0.000 0.295 692 V C -1.502 174.571 176.094 -0.035 0.000 1.025 692 V CA -0.572 61.786 62.300 0.096 0.000 0.859 692 V CB 1.043 32.913 31.823 0.077 0.000 0.988 692 V HN 0.860 nan 8.190 nan 0.000 0.431 693 Y N 4.331 124.634 120.300 0.005 0.000 2.409 693 Y HA 0.634 5.184 4.550 -0.000 0.000 0.339 693 Y C 0.029 175.921 175.900 -0.014 0.000 1.033 693 Y CA -0.771 57.326 58.100 -0.005 0.000 1.094 693 Y CB 1.872 40.320 38.460 -0.020 0.000 1.210 693 Y HN 0.388 nan 8.280 nan 0.000 0.456 694 L N 5.324 126.616 121.223 0.115 0.000 2.287 694 L HA 0.544 4.884 4.340 -0.000 0.000 0.287 694 L C -0.878 176.037 176.870 0.074 0.000 1.022 694 L CA -0.469 54.410 54.840 0.064 0.000 0.814 694 L CB 1.111 43.184 42.059 0.024 0.000 1.217 694 L HN 0.540 nan 8.230 nan 0.000 0.420 695 I N 2.474 123.071 120.570 0.045 0.000 2.436 695 I HA 0.363 4.533 4.170 -0.000 0.000 0.289 695 I C -0.196 175.923 176.117 0.005 0.000 1.010 695 I CA -0.212 61.095 61.300 0.012 0.000 1.098 695 I CB 2.132 40.109 38.000 -0.037 0.000 1.266 695 I HN 0.489 nan 8.210 nan 0.000 0.434 696 S N 3.901 119.607 115.700 0.010 0.000 2.571 696 S HA 0.383 4.853 4.470 -0.000 0.000 0.284 696 S C -0.506 174.129 174.600 0.058 0.000 1.128 696 S CA -0.640 57.580 58.200 0.034 0.000 0.970 696 S CB 1.366 64.591 63.200 0.042 0.000 1.039 696 S HN 0.581 nan 8.310 nan 0.000 0.485 697 D N 2.944 123.401 120.400 0.094 0.000 2.424 697 D HA 0.211 4.850 4.640 -0.000 0.000 0.220 697 D C 0.294 176.788 176.300 0.323 0.000 1.150 697 D CA 0.000 54.124 54.000 0.206 0.000 0.831 697 D CB 0.415 41.304 40.800 0.150 0.000 0.981 697 D HN 0.451 nan 8.370 nan 0.000 0.500 698 R N 0.172 120.781 120.500 0.182 0.000 2.582 698 R HA 0.306 4.646 4.340 -0.000 0.000 0.271 698 R C 1.534 177.848 176.300 0.023 0.000 1.078 698 R CA -0.289 55.888 56.100 0.128 0.000 1.127 698 R CB 1.311 31.653 30.300 0.069 0.000 1.038 698 R HN -0.021 nan 8.270 nan 0.000 0.500 699 L N 0.895 122.047 121.223 -0.118 0.000 2.341 699 L HA -0.017 4.323 4.340 -0.000 0.000 0.214 699 L C 0.459 177.246 176.870 -0.138 0.000 1.115 699 L CA 0.529 55.207 54.840 -0.269 0.000 0.820 699 L CB -0.281 41.521 42.059 -0.430 0.000 0.944 699 L HN 0.701 nan 8.230 nan 0.000 0.452 700 D N -1.052 119.305 120.400 -0.071 0.000 2.198 700 D HA 0.152 4.792 4.640 -0.000 0.000 0.247 700 D C -0.297 175.994 176.300 -0.015 0.000 1.010 700 D CA -0.381 53.595 54.000 -0.040 0.000 0.880 700 D CB 1.399 42.184 40.800 -0.026 0.000 1.209 700 D HN -0.273 nan 8.370 nan 0.000 0.451 701 T N 1.637 116.185 114.554 -0.010 0.000 2.897 701 T HA 0.290 4.640 4.350 -0.000 0.000 0.294 701 T C 0.429 175.134 174.700 0.008 0.000 1.004 701 T CA -0.357 61.744 62.100 0.002 0.000 1.106 701 T CB 0.589 69.457 68.868 0.001 0.000 0.949 701 T HN 0.263 nan 8.240 nan 0.000 0.520 702 M N 2.997 122.606 119.600 0.014 0.000 2.238 702 M HA 0.348 4.828 4.480 -0.000 0.000 0.350 702 M C 0.107 176.417 176.300 0.017 0.000 1.138 702 M CA -0.339 54.971 55.300 0.018 0.000 1.040 702 M CB 1.293 33.907 32.600 0.022 0.000 1.639 702 M HN 0.560 nan 8.290 nan 0.000 0.451 703 E N 1.752 121.963 120.200 0.019 0.000 2.227 703 E HA 0.310 4.660 4.350 -0.000 0.000 0.268 703 E C -0.909 175.705 176.600 0.024 0.000 0.907 703 E CA -0.707 55.704 56.400 0.018 0.000 0.786 703 E CB 1.564 31.272 29.700 0.015 0.000 1.191 703 E HN 0.536 nan 8.360 nan 0.000 0.411 704 Q N 1.326 121.142 119.800 0.026 0.000 2.452 704 Q HA -0.203 4.137 4.340 -0.000 0.000 0.318 704 Q C -0.536 175.490 176.000 0.045 0.000 1.386 704 Q CA 0.338 56.162 55.803 0.036 0.000 0.872 704 Q CB -0.920 27.837 28.738 0.031 0.000 1.151 704 Q HN 0.406 nan 8.270 nan 0.000 0.417 705 M N 0.031 119.652 119.600 0.036 0.000 2.288 705 M HA 0.338 4.818 4.480 -0.000 0.000 0.334 705 M C 0.609 176.926 176.300 0.027 0.000 1.150 705 M CA 0.194 55.511 55.300 0.027 0.000 1.118 705 M CB 1.116 33.721 32.600 0.010 0.000 1.501 705 M HN -0.017 nan 8.290 nan 0.000 0.462 706 T N 2.860 117.418 114.554 0.006 0.000 2.792 706 T HA 0.540 4.890 4.350 -0.000 0.000 0.280 706 T C -0.809 173.823 174.700 -0.113 0.000 0.990 706 T CA -0.561 61.499 62.100 -0.067 0.000 0.960 706 T CB 1.270 70.116 68.868 -0.038 0.000 0.939 706 T HN 0.487 nan 8.240 nan 0.000 0.439 707 L N 3.793 124.922 121.223 -0.157 0.000 2.276 707 L HA 0.581 4.921 4.340 -0.000 0.000 0.286 707 L C -0.047 176.699 176.870 -0.206 0.000 1.061 707 L CA -0.100 54.648 54.840 -0.153 0.000 0.807 707 L CB 0.747 42.725 42.059 -0.135 0.000 1.177 707 L HN 0.666 nan 8.230 nan 0.000 0.429 708 E N 5.824 125.928 120.200 -0.159 0.000 2.218 708 E HA 0.535 4.885 4.350 -0.000 0.000 0.263 708 E C -1.571 174.958 176.600 -0.119 0.000 0.879 708 E CA -0.571 55.739 56.400 -0.150 0.000 0.762 708 E CB 1.170 30.806 29.700 -0.106 0.000 1.166 708 E HN 0.735 nan 8.360 nan 0.000 0.415 709 M N 4.111 123.630 119.600 -0.134 0.000 2.395 709 M HA 0.440 4.920 4.480 -0.000 0.000 0.307 709 M C -1.036 175.250 176.300 -0.022 0.000 1.091 709 M CA -0.780 54.471 55.300 -0.081 0.000 0.919 709 M CB 2.257 34.776 32.600 -0.136 0.000 1.662 709 M HN 0.377 nan 8.290 nan 0.000 0.440 710 K N 0.867 121.281 120.400 0.023 0.000 2.527 710 K HA 0.721 5.041 4.320 -0.000 0.000 0.260 710 K C -1.609 175.008 176.600 0.029 0.000 0.937 710 K CA -0.995 55.317 56.287 0.040 0.000 0.826 710 K CB 1.831 34.334 32.500 0.005 0.000 1.359 710 K HN 0.420 nan 8.250 nan 0.000 0.434 711 V N 2.311 122.254 119.914 0.048 0.000 2.530 711 V HA 0.292 4.412 4.120 -0.000 0.000 0.282 711 V C -0.456 175.512 176.094 -0.210 0.000 1.048 711 V CA -0.532 61.739 62.300 -0.048 0.000 0.997 711 V CB 1.114 32.930 31.823 -0.011 0.000 0.987 711 V HN 0.561 nan 8.190 nan 0.000 0.477 712 V N 4.437 124.056 119.914 -0.491 0.000 2.577 712 V HA 0.353 4.473 4.120 -0.000 0.000 0.303 712 V C -0.421 175.319 176.094 -0.590 0.000 1.042 712 V CA -1.010 60.946 62.300 -0.574 0.000 0.872 712 V CB 2.001 33.394 31.823 -0.717 0.000 0.998 712 V HN 1.057 nan 8.190 nan 0.000 0.423 713 D N 2.962 123.208 120.400 -0.256 0.000 2.377 713 D HA 0.155 4.795 4.640 -0.000 0.000 0.245 713 D C 0.647 177.036 176.300 0.150 0.000 1.196 713 D CA -0.463 53.450 54.000 -0.144 0.000 0.962 713 D CB 0.505 41.227 40.800 -0.129 0.000 1.127 713 D HN 0.249 nan 8.370 nan 0.000 0.471 714 F N -0.683 119.340 119.950 0.120 0.000 2.722 714 F HA 0.000 4.527 4.527 -0.000 0.000 0.298 714 F C 1.567 177.446 175.800 0.132 0.000 1.175 714 F CA 0.299 58.428 58.000 0.216 0.000 1.462 714 F CB -0.596 38.517 39.000 0.188 0.000 1.111 714 F HN 0.411 nan 8.300 nan 0.000 0.592 715 D N -1.201 119.346 120.400 0.246 0.000 2.392 715 D HA 0.176 4.816 4.640 -0.000 0.000 0.206 715 D C 1.977 178.343 176.300 0.110 0.000 1.046 715 D CA 1.051 55.137 54.000 0.142 0.000 0.865 715 D CB 0.816 41.671 40.800 0.092 0.000 0.969 715 D HN 0.327 nan 8.370 nan 0.000 0.509 716 G N 0.817 109.687 108.800 0.115 0.000 2.175 716 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.182 716 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.182 716 G C 0.324 175.246 174.900 0.036 0.000 1.003 716 G CA -0.236 44.919 45.100 0.091 0.000 0.666 716 G HN 0.099 nan 8.290 nan 0.000 0.506 717 K N 1.155 121.561 120.400 0.009 0.000 2.201 717 K HA 0.633 4.953 4.320 -0.000 0.000 0.278 717 K C 0.622 177.191 176.600 -0.053 0.000 1.027 717 K CA 0.071 56.350 56.287 -0.013 0.000 0.909 717 K CB 1.283 33.777 32.500 -0.010 0.000 1.062 717 K HN 0.378 nan 8.250 nan 0.000 0.465 718 T N 4.059 118.588 114.554 -0.042 0.000 2.853 718 T HA 0.200 4.550 4.350 -0.000 0.000 0.298 718 T C 0.342 175.014 174.700 -0.046 0.000 0.978 718 T CA -0.097 61.971 62.100 -0.052 0.000 1.152 718 T CB -0.117 68.735 68.868 -0.025 0.000 0.914 718 T HN 0.322 nan 8.240 nan 0.000 0.539 719 L N 3.971 125.159 121.223 -0.059 0.000 2.257 719 L HA 0.556 4.896 4.340 -0.000 0.000 0.290 719 L C 1.267 178.141 176.870 0.006 0.000 1.044 719 L CA -0.467 54.347 54.840 -0.042 0.000 0.810 719 L CB 0.117 42.126 42.059 -0.084 0.000 1.193 719 L HN 0.984 nan 8.230 nan 0.000 0.425 720 G N 1.896 110.705 108.800 0.015 0.000 2.645 720 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.239 720 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.239 720 G C -0.298 174.619 174.900 0.029 0.000 1.331 720 G CA -0.041 45.082 45.100 0.039 0.000 0.890 720 G HN 0.838 nan 8.290 nan 0.000 0.572 721 K N 0.040 120.459 120.400 0.032 0.000 2.132 721 K HA 0.775 5.095 4.320 -0.000 0.000 0.241 721 K C 0.676 177.285 176.600 0.015 0.000 1.000 721 K CA 0.278 56.575 56.287 0.016 0.000 0.911 721 K CB 0.429 32.934 32.500 0.007 0.000 1.093 721 K HN 0.897 nan 8.250 nan 0.000 0.460 722 K N 0.592 120.992 120.400 0.000 0.000 2.382 722 K HA 0.312 4.632 4.320 -0.000 0.000 0.275 722 K C -0.216 176.359 176.600 -0.042 0.000 1.009 722 K CA 0.052 56.329 56.287 -0.016 0.000 0.970 722 K CB 0.321 32.810 32.500 -0.018 0.000 0.934 722 K HN 0.526 nan 8.250 nan 0.000 0.479 723 I N 2.396 122.915 120.570 -0.084 0.000 2.437 723 I HA 0.155 4.325 4.170 -0.000 0.000 0.298 723 I C 0.105 176.119 176.117 -0.173 0.000 0.984 723 I CA -0.654 60.561 61.300 -0.142 0.000 1.214 723 I CB 1.246 39.096 38.000 -0.249 0.000 1.365 723 I HN 0.380 nan 8.210 nan 0.000 0.469 724 Q N 5.059 124.760 119.800 -0.165 0.000 2.372 724 Q HA 0.639 4.979 4.340 -0.000 0.000 0.273 724 Q C -1.470 174.373 176.000 -0.262 0.000 1.078 724 Q CA -0.865 54.778 55.803 -0.267 0.000 0.806 724 Q CB 3.524 32.101 28.738 -0.268 0.000 1.332 724 Q HN 0.425 nan 8.270 nan 0.000 0.435 725 V N 2.412 122.125 119.914 -0.335 0.000 2.447 725 V HA 0.338 4.458 4.120 -0.000 0.000 0.292 725 V C -0.517 175.441 176.094 -0.226 0.000 1.021 725 V CA -0.815 61.381 62.300 -0.174 0.000 0.850 725 V CB 1.301 33.083 31.823 -0.068 0.000 1.005 725 V HN 0.714 nan 8.190 nan 0.000 0.426 726 H N 2.347 121.411 119.070 -0.009 0.000 2.570 726 H HA 0.413 4.969 4.556 -0.000 0.000 0.342 726 H C 0.911 176.236 175.328 -0.006 0.000 1.245 726 H CA 0.582 56.624 56.048 -0.009 0.000 1.318 726 H CB 1.902 31.659 29.762 -0.009 0.000 1.694 726 H HN 0.882 nan 8.280 nan 0.000 0.592 727 S N -0.082 115.714 115.700 0.160 0.000 3.550 727 S HA -0.192 4.278 4.470 -0.000 0.000 0.372 727 S C -0.092 174.535 174.600 0.045 0.000 0.966 727 S CA 0.136 58.383 58.200 0.078 0.000 1.229 727 S CB -2.484 60.749 63.200 0.056 0.000 0.917 727 S HN 0.398 nan 8.310 nan 0.000 0.496 728 L N 0.761 122.006 121.223 0.036 0.000 2.312 728 L HA 0.587 4.927 4.340 -0.000 0.000 0.281 728 L C 0.555 177.434 176.870 0.015 0.000 1.070 728 L CA -0.390 54.460 54.840 0.016 0.000 0.805 728 L CB 1.299 43.358 42.059 0.000 0.000 1.174 728 L HN 0.558 nan 8.230 nan 0.000 0.434 729 E N 2.458 122.664 120.200 0.010 0.000 2.151 729 E HA 0.405 4.755 4.350 -0.000 0.000 0.275 729 E C -1.456 175.150 176.600 0.010 0.000 0.936 729 E CA -0.644 55.763 56.400 0.011 0.000 0.777 729 E CB 1.693 31.399 29.700 0.010 0.000 1.108 729 E HN 0.303 nan 8.360 nan 0.000 0.401 730 V N 6.883 126.805 119.914 0.013 0.000 2.250 730 V HA 0.321 4.441 4.120 -0.000 0.000 0.268 730 V C -2.258 173.847 176.094 0.019 0.000 1.043 730 V CA -1.872 60.438 62.300 0.016 0.000 0.814 730 V CB 0.495 32.329 31.823 0.018 0.000 1.072 730 V HN 0.745 nan 8.190 nan 0.000 0.451 731 P HA 0.158 nan 4.420 nan 0.000 0.268 731 P C 0.195 177.508 177.300 0.023 0.000 1.205 731 P CA 0.148 63.258 63.100 0.018 0.000 0.771 731 P CB 0.613 32.325 31.700 0.020 0.000 0.858 732 A N 3.502 126.330 122.820 0.013 0.000 2.567 732 A HA -0.018 4.302 4.320 -0.000 0.000 0.240 732 A C 0.753 178.361 177.584 0.040 0.000 1.053 732 A CA 0.221 52.266 52.037 0.013 0.000 0.755 732 A CB -1.019 17.965 19.000 -0.027 0.000 0.978 732 A HN 0.739 nan 8.150 nan 0.000 0.507 733 N N 0.028 118.776 118.700 0.080 0.000 2.727 733 N HA -0.153 4.587 4.740 -0.000 0.000 0.251 733 N C -0.002 175.558 175.510 0.083 0.000 1.040 733 N CA 1.635 54.758 53.050 0.121 0.000 0.712 733 N CB -1.446 37.142 38.487 0.169 0.000 0.912 733 N HN 1.289 nan 8.380 nan 0.000 0.545 734 T N -4.072 110.515 114.554 0.055 0.000 2.868 734 T HA 0.616 4.966 4.350 -0.000 0.000 0.306 734 T C -0.362 174.359 174.700 0.036 0.000 1.224 734 T CA -0.708 61.420 62.100 0.047 0.000 1.012 734 T CB 2.522 71.419 68.868 0.049 0.000 1.221 734 T HN 0.098 nan 8.240 nan 0.000 0.499 735 S N 1.082 116.813 115.700 0.052 0.000 2.498 735 S HA 0.643 5.113 4.470 -0.000 0.000 0.317 735 S C -1.080 173.622 174.600 0.170 0.000 1.090 735 S CA -0.774 57.482 58.200 0.093 0.000 1.089 735 S CB 0.206 63.429 63.200 0.040 0.000 0.997 735 S HN 0.675 nan 8.310 nan 0.000 0.470 736 K N 3.042 123.546 120.400 0.172 0.000 2.427 736 K HA 0.339 4.659 4.320 -0.000 0.000 0.252 736 K C -0.960 175.566 176.600 -0.124 0.000 0.931 736 K CA -0.601 55.732 56.287 0.076 0.000 0.793 736 K CB 1.606 34.114 32.500 0.014 0.000 1.211 736 K HN 0.723 nan 8.250 nan 0.000 0.426 737 C N 3.420 122.451 119.300 -0.448 0.000 2.627 737 C HA 0.187 4.647 4.460 -0.000 0.000 0.404 737 C C 1.657 176.438 174.990 -0.349 0.000 1.340 737 C CA -0.277 58.230 59.018 -0.852 0.000 1.758 737 C CB -1.325 25.931 27.740 -0.806 0.000 2.501 737 C HN 0.637 nan 8.230 nan 0.000 0.588 738 V N 3.669 123.437 119.914 -0.243 0.000 3.477 738 V HA 0.404 4.524 4.120 -0.000 0.000 0.297 738 V C -0.217 175.886 176.094 0.015 0.000 1.433 738 V CA -0.032 62.215 62.300 -0.088 0.000 1.052 738 V CB -0.850 30.947 31.823 -0.045 0.000 0.895 738 V HN 0.822 nan 8.190 nan 0.000 0.438 739 Y N 0.563 120.756 120.300 -0.178 0.000 2.474 739 Y HA 0.692 5.242 4.550 -0.000 0.000 0.326 739 Y C -0.828 174.998 175.900 -0.123 0.000 1.160 739 Y CA -1.043 56.976 58.100 -0.135 0.000 1.056 739 Y CB 1.560 39.952 38.460 -0.113 0.000 1.330 739 Y HN 0.198 nan 8.280 nan 0.000 0.447 740 R N 4.363 124.515 120.500 -0.581 0.000 2.515 740 R HA 0.897 5.237 4.340 -0.000 0.000 0.291 740 R C -2.037 173.930 176.300 -0.555 0.000 1.046 740 R CA -0.597 55.281 56.100 -0.371 0.000 0.914 740 R CB 1.399 31.569 30.300 -0.217 0.000 1.191 740 R HN 0.782 nan 8.270 nan 0.000 0.435 741 A N 4.374 127.021 122.820 -0.289 0.000 2.455 741 A HA 0.388 4.708 4.320 -0.000 0.000 0.300 741 A C -1.188 176.457 177.584 0.102 0.000 1.040 741 A CA -0.999 50.932 52.037 -0.175 0.000 0.697 741 A CB 1.265 20.097 19.000 -0.279 0.000 1.265 741 A HN 0.781 nan 8.150 nan 0.000 0.407 742 K N 2.487 122.939 120.400 0.086 0.000 2.326 742 K HA 0.400 4.720 4.320 -0.000 0.000 0.275 742 K C -0.204 176.567 176.600 0.285 0.000 1.018 742 K CA -0.498 55.880 56.287 0.153 0.000 0.962 742 K CB 0.685 33.232 32.500 0.079 0.000 0.953 742 K HN 0.576 nan 8.250 nan 0.000 0.475 743 L N 0.750 122.120 121.223 0.245 0.000 2.291 743 L HA -0.060 4.280 4.340 -0.000 0.000 0.214 743 L C 0.569 177.498 176.870 0.099 0.000 1.120 743 L CA 0.480 55.424 54.840 0.174 0.000 0.799 743 L CB -0.345 41.714 42.059 -0.000 0.000 0.925 743 L HN 0.842 nan 8.230 nan 0.000 0.446 744 D N 0.192 120.645 120.400 0.088 0.000 2.382 744 D HA 0.282 4.922 4.640 -0.000 0.000 0.259 744 D C 1.062 177.413 176.300 0.085 0.000 1.224 744 D CA 1.183 55.217 54.000 0.056 0.000 0.894 744 D CB 0.733 41.557 40.800 0.039 0.000 1.127 744 D HN 0.284 nan 8.370 nan 0.000 0.487 745 G N 3.276 112.119 108.800 0.071 0.000 2.175 745 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.244 745 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.244 745 G C 0.592 175.594 174.900 0.169 0.000 0.982 745 G CA 0.412 45.563 45.100 0.085 0.000 0.641 745 G HN 0.548 nan 8.290 nan 0.000 0.527 746 W N 0.531 121.799 121.300 -0.054 0.000 3.127 746 W HA 0.640 5.300 4.660 -0.000 0.000 0.248 746 W C 0.325 176.777 176.519 -0.112 0.000 1.058 746 W CA 0.508 57.815 57.345 -0.064 0.000 1.783 746 W CB 0.124 29.559 29.460 -0.043 0.000 1.030 746 W HN 0.103 nan 8.180 nan 0.000 0.653 747 L N 2.357 123.407 121.223 -0.288 0.000 2.386 747 L HA 0.352 4.692 4.340 -0.000 0.000 0.271 747 L C 0.449 177.149 176.870 -0.284 0.000 0.993 747 L CA -0.798 53.754 54.840 -0.480 0.000 0.819 747 L CB 1.949 43.438 42.059 -0.949 0.000 1.294 747 L HN -0.135 nan 8.230 nan 0.000 0.414 748 T N -1.397 113.021 114.554 -0.225 0.000 2.904 748 T HA 0.246 4.596 4.350 -0.000 0.000 0.290 748 T C -1.987 172.614 174.700 -0.164 0.000 1.018 748 T CA -1.657 60.353 62.100 -0.150 0.000 1.075 748 T CB 1.250 70.052 68.868 -0.109 0.000 0.986 748 T HN 0.328 nan 8.240 nan 0.000 0.523 749 P HA -0.168 nan 4.420 nan 0.000 0.218 749 P C 1.574 178.819 177.300 -0.093 0.000 1.146 749 P CA 1.008 64.054 63.100 -0.090 0.000 0.813 749 P CB 0.068 31.735 31.700 -0.054 0.000 0.778 750 E N -0.342 119.801 120.200 -0.096 0.000 2.072 750 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 750 E C 1.445 177.962 176.600 -0.139 0.000 0.985 750 E CA 1.141 57.484 56.400 -0.095 0.000 0.801 750 E CB -1.401 28.253 29.700 -0.076 0.000 0.750 750 E HN 0.292 nan 8.360 nan 0.000 0.452 751 D N 1.052 121.342 120.400 -0.184 0.000 2.149 751 D HA -0.108 4.532 4.640 -0.000 0.000 0.198 751 D C 1.999 178.143 176.300 -0.260 0.000 0.990 751 D CA 1.111 54.961 54.000 -0.251 0.000 0.839 751 D CB -0.405 40.199 40.800 -0.325 0.000 0.948 751 D HN 0.221 nan 8.370 nan 0.000 0.460 752 C N 0.624 119.782 119.300 -0.237 0.000 2.432 752 C HA -0.027 4.433 4.460 -0.000 0.000 0.280 752 C C 2.316 177.342 174.990 0.059 0.000 1.353 752 C CA 0.245 59.193 59.018 -0.117 0.000 1.766 752 C CB -0.777 26.894 27.740 -0.115 0.000 1.924 752 C HN 0.325 nan 8.230 nan 0.000 0.509 753 R N 0.218 120.703 120.500 -0.025 0.000 2.297 753 R HA 0.108 4.448 4.340 -0.000 0.000 0.197 753 R C 1.346 177.560 176.300 -0.144 0.000 0.943 753 R CA 0.423 56.532 56.100 0.016 0.000 1.038 753 R CB -0.014 30.288 30.300 0.004 0.000 0.957 753 R HN 0.563 nan 8.270 nan 0.000 0.484 754 R N 0.090 120.341 120.500 -0.415 0.000 2.566 754 R HA 0.163 4.503 4.340 -0.000 0.000 0.388 754 R C -0.311 175.234 176.300 -1.259 0.000 0.989 754 R CA 0.058 55.590 56.100 -0.945 0.000 1.164 754 R CB 1.280 31.314 30.300 -0.443 0.000 1.459 754 R HN 0.072 nan 8.270 nan 0.000 0.553 755 S N 0.001 115.267 115.700 -0.724 0.000 2.643 755 S HA 0.718 5.188 4.470 -0.000 0.000 0.270 755 S C -0.948 173.837 174.600 0.308 0.000 1.166 755 S CA -0.992 57.080 58.200 -0.213 0.000 0.815 755 S CB 1.565 64.631 63.200 -0.224 0.000 1.139 755 S HN 0.183 nan 8.310 nan 0.000 0.472 756 F N -0.927 119.100 119.950 0.128 0.000 2.643 756 F HA 0.890 5.417 4.527 -0.000 0.000 0.314 756 F C -1.601 174.112 175.800 -0.145 0.000 1.096 756 F CA -1.426 56.401 58.000 -0.289 0.000 0.953 756 F CB 0.827 39.347 39.000 -0.799 0.000 1.345 756 F HN 0.630 nan 8.300 nan 0.000 0.468 757 L N 2.463 123.612 121.223 -0.124 0.000 2.295 757 L HA 0.531 4.871 4.340 -0.000 0.000 0.285 757 L C -0.652 176.293 176.870 0.125 0.000 1.035 757 L CA -0.430 54.430 54.840 0.034 0.000 0.806 757 L CB 1.420 43.522 42.059 0.073 0.000 1.214 757 L HN 0.692 nan 8.230 nan 0.000 0.426 758 K N 4.559 125.030 120.400 0.119 0.000 2.183 758 K HA 0.668 4.988 4.320 -0.000 0.000 0.274 758 K C -1.518 175.111 176.600 0.047 0.000 1.009 758 K CA -0.418 55.940 56.287 0.119 0.000 0.888 758 K CB 1.015 33.594 32.500 0.131 0.000 1.078 758 K HN 0.409 nan 8.250 nan 0.000 0.459 759 L N 5.472 126.710 121.223 0.025 0.000 2.406 759 L HA 0.549 4.889 4.340 -0.000 0.000 0.272 759 L C -0.547 176.312 176.870 -0.018 0.000 0.980 759 L CA -0.542 54.291 54.840 -0.011 0.000 0.831 759 L CB 1.320 43.370 42.059 -0.014 0.000 1.253 759 L HN 0.557 nan 8.230 nan 0.000 0.406 760 I N 0.329 120.877 120.570 -0.036 0.000 2.846 760 I HA 0.818 4.988 4.170 -0.000 0.000 0.307 760 I C -1.364 174.718 176.117 -0.058 0.000 1.053 760 I CA -1.159 60.116 61.300 -0.042 0.000 1.050 760 I CB 2.305 40.281 38.000 -0.039 0.000 1.239 760 I HN 0.424 nan 8.210 nan 0.000 0.439 761 L N 3.725 124.913 121.223 -0.059 0.000 2.356 761 L HA 0.625 4.965 4.340 -0.000 0.000 0.277 761 L C -1.054 175.774 176.870 -0.069 0.000 0.996 761 L CA -0.142 54.662 54.840 -0.060 0.000 0.822 761 L CB 1.534 43.566 42.059 -0.044 0.000 1.256 761 L HN 0.668 nan 8.230 nan 0.000 0.413 762 K N 2.743 123.111 120.400 -0.054 0.000 2.316 762 K HA 0.443 4.763 4.320 -0.000 0.000 0.251 762 K C -0.987 175.613 176.600 -0.000 0.000 0.934 762 K CA -0.917 55.345 56.287 -0.041 0.000 0.802 762 K CB 1.628 34.117 32.500 -0.018 0.000 1.171 762 K HN 0.765 nan 8.250 nan 0.000 0.426 766 G N 1.352 110.198 108.800 0.078 0.000 2.141 766 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.242 766 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.242 766 G C -0.198 174.759 174.900 0.094 0.000 0.982 766 G CA 0.691 45.835 45.100 0.072 0.000 0.662 766 G HN 1.270 nan 8.290 nan 0.000 0.527 767 H N 0.777 119.856 119.070 0.016 0.000 2.610 767 H HA 0.560 5.116 4.556 -0.000 0.000 0.336 767 H C 0.523 175.858 175.328 0.012 0.000 1.087 767 H CA 0.222 56.278 56.048 0.013 0.000 1.405 767 H CB 0.793 30.562 29.762 0.012 0.000 1.460 767 H HN 0.377 nan 8.280 nan 0.000 0.538 768 Q N 4.305 123.791 119.800 -0.524 0.000 2.296 768 Q HA 0.155 4.494 4.340 -0.000 0.000 0.262 768 Q C -0.442 175.228 176.000 -0.550 0.000 0.981 768 Q CA -0.330 55.228 55.803 -0.409 0.000 0.905 768 Q CB 0.861 29.473 28.738 -0.211 0.000 1.186 768 Q HN 0.727 nan 8.270 nan 0.000 0.399 769 V N 2.986 122.734 119.914 -0.277 0.000 3.379 769 V HA 0.364 4.484 4.120 -0.000 0.000 0.249 769 V C 0.088 176.136 176.094 -0.077 0.000 1.184 769 V CA 1.032 63.239 62.300 -0.156 0.000 1.106 769 V CB 0.805 32.585 31.823 -0.071 0.000 0.826 769 V HN 0.816 nan 8.190 nan 0.000 0.465 770 A N 0.404 123.182 122.820 -0.071 0.000 2.612 770 A HA 0.776 5.096 4.320 -0.000 0.000 0.293 770 A C -1.178 176.383 177.584 -0.039 0.000 1.075 770 A CA -0.493 51.521 52.037 -0.038 0.000 0.680 770 A CB 1.610 20.600 19.000 -0.017 0.000 1.279 770 A HN 0.301 nan 8.150 nan 0.000 0.411 771 E N 0.217 120.404 120.200 -0.023 0.000 2.383 771 E HA 0.817 5.167 4.350 -0.000 0.000 0.275 771 E C -1.239 175.359 176.600 -0.004 0.000 0.918 771 E CA -0.729 55.661 56.400 -0.017 0.000 0.764 771 E CB 2.095 31.783 29.700 -0.019 0.000 1.252 771 E HN 0.441 nan 8.360 nan 0.000 0.449 772 S N 0.397 116.099 115.700 0.003 0.000 2.607 772 S HA 0.565 5.035 4.470 -0.000 0.000 0.273 772 S C -1.292 173.318 174.600 0.017 0.000 1.148 772 S CA -0.679 57.529 58.200 0.014 0.000 0.833 772 S CB 1.981 65.192 63.200 0.019 0.000 1.130 772 S HN 0.424 nan 8.310 nan 0.000 0.470 773 V N 1.988 121.910 119.914 0.014 0.000 2.680 773 V HA 0.561 4.681 4.120 -0.000 0.000 0.309 773 V C -1.016 175.070 176.094 -0.014 0.000 1.052 773 V CA -0.604 61.677 62.300 -0.032 0.000 0.908 773 V CB 1.750 33.501 31.823 -0.121 0.000 1.001 773 V HN 0.960 nan 8.190 nan 0.000 0.431 774 H N 3.183 122.096 119.070 -0.260 0.000 2.667 774 H HA 0.673 5.229 4.556 -0.000 0.000 0.353 774 H C -1.652 173.289 175.328 -0.645 0.000 1.072 774 H CA -0.569 55.299 56.048 -0.299 0.000 1.214 774 H CB 1.359 30.970 29.762 -0.251 0.000 1.600 774 H HN 0.434 nan 8.280 nan 0.000 0.527 775 F N 4.576 124.049 119.950 -0.795 0.000 2.422 775 F HA 0.244 4.771 4.527 -0.000 0.000 0.333 775 F C 0.194 175.465 175.800 -0.881 0.000 1.095 775 F CA -0.628 57.001 58.000 -0.617 0.000 1.038 775 F CB 0.945 39.802 39.000 -0.238 0.000 1.156 775 F HN 0.571 nan 8.300 nan 0.000 0.483 776 F N 0.671 120.565 119.950 -0.093 0.000 2.789 776 F HA 0.254 4.781 4.527 0.000 0.000 0.300 776 F C 0.854 176.645 175.800 -0.016 0.000 1.132 776 F CA 0.101 58.061 58.000 -0.065 0.000 1.404 776 F CB -0.098 38.871 39.000 -0.051 0.000 1.114 776 F HN 0.139 nan 8.300 nan 0.000 0.584 777 R N 0.274 120.864 120.500 0.150 0.000 2.808 777 R HA 0.344 4.684 4.340 -0.000 0.000 0.272 777 R C -0.337 175.955 176.300 -0.013 0.000 0.995 777 R CA -1.108 55.038 56.100 0.076 0.000 0.917 777 R CB 1.348 31.704 30.300 0.093 0.000 1.217 777 R HN 0.006 nan 8.270 nan 0.000 0.471 778 K N 0.349 120.703 120.400 -0.077 0.000 2.469 778 K HA -0.001 4.319 4.320 -0.000 0.000 0.274 778 K C 0.909 177.376 176.600 -0.221 0.000 0.983 778 K CA 0.361 56.537 56.287 -0.186 0.000 0.974 778 K CB 0.450 32.831 32.500 -0.198 0.000 0.913 778 K HN 0.432 nan 8.250 nan 0.000 0.493 779 T N 2.336 116.660 114.554 -0.384 0.000 2.759 779 T HA -0.175 4.175 4.350 -0.000 0.000 0.269 779 T C 1.593 176.145 174.700 -0.247 0.000 1.042 779 T CA 1.667 63.556 62.100 -0.352 0.000 1.140 779 T CB -0.078 68.522 68.868 -0.446 0.000 0.864 779 T HN 0.629 nan 8.240 nan 0.000 0.455 780 K N 0.949 121.163 120.400 -0.310 0.000 2.280 780 K HA -0.091 4.229 4.320 -0.000 0.000 0.202 780 K C 1.068 177.574 176.600 -0.158 0.000 1.047 780 K CA 1.498 57.645 56.287 -0.234 0.000 0.942 780 K CB 0.024 32.390 32.500 -0.222 0.000 0.739 780 K HN 0.177 nan 8.250 nan 0.000 0.457 781 D N 0.742 121.077 120.400 -0.108 0.000 2.360 781 D HA 0.130 4.770 4.640 -0.000 0.000 0.210 781 D C 0.372 176.691 176.300 0.030 0.000 1.047 781 D CA 0.100 54.074 54.000 -0.043 0.000 0.854 781 D CB 0.235 41.012 40.800 -0.039 0.000 0.936 781 D HN 0.162 nan 8.370 nan 0.000 0.514 782 L N 1.318 122.579 121.223 0.063 0.000 2.426 782 L HA 0.131 4.471 4.340 -0.000 0.000 0.271 782 L C 0.695 177.719 176.870 0.257 0.000 1.169 782 L CA -0.009 54.964 54.840 0.221 0.000 0.836 782 L CB 0.669 42.865 42.059 0.228 0.000 1.112 782 L HN -0.287 nan 8.230 nan 0.000 0.465 783 Q N 4.433 124.440 119.800 0.344 0.000 2.681 783 Q HA 0.304 4.644 4.340 -0.000 0.000 0.222 783 Q C -0.850 175.426 176.000 0.460 0.000 1.258 783 Q CA -0.195 55.787 55.803 0.297 0.000 1.014 783 Q CB 0.329 29.165 28.738 0.164 0.000 1.384 783 Q HN 0.493 nan 8.270 nan 0.000 0.570 784 L N 4.544 125.973 121.223 0.343 0.000 2.410 784 L HA 0.234 4.574 4.340 -0.000 0.000 0.273 784 L C -1.749 175.234 176.870 0.188 0.000 1.144 784 L CA -1.666 53.304 54.840 0.216 0.000 0.863 784 L CB -0.013 42.123 42.059 0.129 0.000 1.140 784 L HN 0.252 nan 8.230 nan 0.000 0.463 785 P HA 0.184 nan 4.420 nan 0.000 0.276 785 P C -2.518 174.820 177.300 0.065 0.000 1.244 785 P CA -1.889 61.285 63.100 0.123 0.000 0.801 785 P CB 0.118 31.897 31.700 0.131 0.000 1.006 786 P HA 0.015 nan 4.420 nan 0.000 0.235 786 P C 0.194 177.509 177.300 0.025 0.000 1.765 786 P CA 0.195 63.311 63.100 0.028 0.000 1.034 786 P CB -0.689 31.019 31.700 0.012 0.000 1.984 787 T N 0.781 115.341 114.554 0.010 0.000 2.930 787 T HA 0.077 4.427 4.350 -0.000 0.000 0.306 787 T C 0.157 174.831 174.700 -0.043 0.000 1.045 787 T CA 0.180 62.248 62.100 -0.055 0.000 1.134 787 T CB 0.034 68.797 68.868 -0.174 0.000 0.961 787 T HN 0.083 nan 8.240 nan 0.000 0.545 788 S N 3.638 119.316 115.700 -0.036 0.000 2.411 788 S HA 0.427 4.897 4.470 -0.000 0.000 0.294 788 S C -0.444 174.135 174.600 -0.036 0.000 1.115 788 S CA -0.792 57.401 58.200 -0.012 0.000 1.071 788 S CB -0.053 63.156 63.200 0.015 0.000 0.967 788 S HN 0.581 nan 8.310 nan 0.000 0.488 789 V N 6.125 126.021 119.914 -0.029 0.000 2.364 789 V HA 0.442 4.562 4.120 -0.000 0.000 0.272 789 V C 0.417 176.557 176.094 0.077 0.000 1.036 789 V CA -0.541 61.748 62.300 -0.017 0.000 0.880 789 V CB 0.929 32.709 31.823 -0.072 0.000 0.991 789 V HN 0.918 nan 8.190 nan 0.000 0.460 790 S N 5.414 121.182 115.700 0.114 0.000 2.621 790 S HA 0.897 5.367 4.470 -0.000 0.000 0.302 790 S C -0.939 173.792 174.600 0.217 0.000 1.093 790 S CA -0.663 57.610 58.200 0.122 0.000 1.017 790 S CB 1.918 65.165 63.200 0.077 0.000 1.077 790 S HN 0.830 nan 8.310 nan 0.000 0.517 791 Y N -1.818 118.502 120.300 0.032 0.000 2.513 791 Y HA 0.709 5.259 4.550 -0.000 0.000 0.340 791 Y C -0.908 175.000 175.900 0.013 0.000 1.055 791 Y CA -1.197 56.921 58.100 0.029 0.000 1.020 791 Y CB 0.818 39.285 38.460 0.012 0.000 1.301 791 Y HN 0.592 nan 8.280 nan 0.000 0.453 792 Q N 3.525 123.391 119.800 0.110 0.000 2.245 792 Q HA 0.606 4.946 4.340 -0.000 0.000 0.256 792 Q C -0.878 175.207 176.000 0.143 0.000 0.942 792 Q CA -0.696 55.130 55.803 0.039 0.000 0.896 792 Q CB 2.352 31.099 28.738 0.015 0.000 1.272 792 Q HN 0.884 nan 8.270 nan 0.000 0.442 793 M N 1.777 121.436 119.600 0.098 0.000 2.093 793 M HA 0.456 4.936 4.480 -0.000 0.000 0.297 793 M C -1.005 175.326 176.300 0.051 0.000 0.938 793 M CA -0.299 55.076 55.300 0.124 0.000 0.920 793 M CB 1.252 33.967 32.600 0.192 0.000 1.517 793 M HN 0.453 nan 8.290 nan 0.000 0.427 794 K N 3.898 124.320 120.400 0.037 0.000 2.266 794 K HA 0.298 4.618 4.320 -0.000 0.000 0.274 794 K C -1.108 175.496 176.600 0.007 0.000 1.090 794 K CA -0.264 56.032 56.287 0.014 0.000 0.925 794 K CB 0.886 33.392 32.500 0.009 0.000 1.225 794 K HN 0.806 nan 8.250 nan 0.000 0.458 795 Q N 3.107 122.909 119.800 0.003 0.000 2.325 795 Q HA 0.237 4.577 4.340 -0.000 0.000 0.262 795 Q C -0.902 175.091 176.000 -0.011 0.000 0.968 795 Q CA -0.343 55.456 55.803 -0.006 0.000 0.877 795 Q CB 1.818 30.553 28.738 -0.003 0.000 1.253 795 Q HN 0.586 nan 8.270 nan 0.000 0.448 796 T N 1.622 116.166 114.554 -0.017 0.000 2.633 796 T HA 0.291 4.641 4.350 -0.000 0.000 0.262 796 T C -1.202 173.486 174.700 -0.019 0.000 0.920 796 T CA -0.602 61.488 62.100 -0.016 0.000 1.062 796 T CB 0.893 69.752 68.868 -0.014 0.000 1.390 796 T HN 0.587 nan 8.240 nan 0.000 0.549 797 D N 0.400 120.790 120.400 -0.017 0.000 2.343 797 D HA 0.421 5.061 4.640 -0.000 0.000 0.255 797 D C 1.159 177.445 176.300 -0.023 0.000 1.187 797 D CA 1.323 55.313 54.000 -0.018 0.000 0.875 797 D CB 0.739 41.531 40.800 -0.012 0.000 1.136 797 D HN 0.901 nan 8.370 nan 0.000 0.469 798 G N 2.683 111.466 108.800 -0.028 0.000 2.175 798 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.265 798 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.265 798 G C 0.532 175.400 174.900 -0.052 0.000 0.979 798 G CA 0.928 46.006 45.100 -0.037 0.000 0.663 798 G HN 0.543 nan 8.290 nan 0.000 0.533 799 K N -1.083 119.286 120.400 -0.051 0.000 2.525 799 K HA 0.619 4.939 4.320 -0.000 0.000 0.254 799 K C -1.098 175.468 176.600 -0.056 0.000 0.934 799 K CA -0.633 55.618 56.287 -0.059 0.000 0.802 799 K CB 1.633 34.107 32.500 -0.043 0.000 1.295 799 K HN 0.141 nan 8.250 nan 0.000 0.433 800 C N 2.929 122.186 119.300 -0.072 0.000 2.364 800 C HA 0.623 5.083 4.460 -0.000 0.000 0.324 800 C C -0.253 174.710 174.990 -0.045 0.000 1.234 800 C CA -0.632 58.354 59.018 -0.054 0.000 1.417 800 C CB 0.670 28.369 27.740 -0.069 0.000 2.101 800 C HN 0.895 nan 8.230 nan 0.000 0.466 801 E N 3.322 123.511 120.200 -0.018 0.000 2.130 801 E HA 0.613 4.963 4.350 -0.000 0.000 0.284 801 E C -1.123 175.490 176.600 0.022 0.000 1.018 801 E CA -0.293 56.105 56.400 -0.003 0.000 0.817 801 E CB 0.667 30.367 29.700 0.000 0.000 1.078 801 E HN 0.612 nan 8.360 nan 0.000 0.396 802 L N 2.302 123.542 121.223 0.027 0.000 2.307 802 L HA 0.511 4.851 4.340 -0.000 0.000 0.284 802 L C 0.317 177.233 176.870 0.076 0.000 1.023 802 L CA -0.450 54.430 54.840 0.066 0.000 0.810 802 L CB 2.396 44.464 42.059 0.014 0.000 1.231 802 L HN 0.574 nan 8.230 nan 0.000 0.423 803 T N 4.043 118.664 114.554 0.111 0.000 2.758 803 T HA 0.659 5.009 4.350 -0.000 0.000 0.285 803 T C -0.406 174.393 174.700 0.165 0.000 0.981 803 T CA -0.417 61.746 62.100 0.106 0.000 0.965 803 T CB 0.832 69.746 68.868 0.075 0.000 0.927 803 T HN 0.090 nan 8.240 nan 0.000 0.448 804 L N 3.602 124.921 121.223 0.161 0.000 2.317 804 L HA 0.704 5.044 4.340 -0.000 0.000 0.281 804 L C -0.703 176.311 176.870 0.241 0.000 1.024 804 L CA -0.570 54.387 54.840 0.194 0.000 0.810 804 L CB 1.144 43.294 42.059 0.152 0.000 1.240 804 L HN 0.605 nan 8.230 nan 0.000 0.427 805 F N 1.696 121.680 119.950 0.055 0.000 2.578 805 F HA 0.719 5.246 4.527 -0.000 0.000 0.311 805 F C -0.451 175.358 175.800 0.015 0.000 1.094 805 F CA -0.298 57.720 58.000 0.029 0.000 0.923 805 F CB 2.149 41.160 39.000 0.020 0.000 1.230 805 F HN 0.349 nan 8.300 nan 0.000 0.450 806 S N 2.100 117.371 115.700 -0.715 0.000 2.575 806 S HA 0.341 4.811 4.470 -0.000 0.000 0.278 806 S C 0.378 174.480 174.600 -0.829 0.000 1.139 806 S CA 0.005 57.878 58.200 -0.546 0.000 0.954 806 S CB 1.376 64.388 63.200 -0.314 0.000 1.054 806 S HN 0.863 nan 8.310 nan 0.000 0.483 807 S N 4.417 119.864 115.700 -0.421 0.000 2.442 807 S HA 0.140 4.610 4.470 -0.000 0.000 0.236 807 S C 0.627 175.152 174.600 -0.125 0.000 1.007 807 S CA 0.598 58.679 58.200 -0.198 0.000 0.965 807 S CB -0.430 62.797 63.200 0.045 0.000 0.773 807 S HN 0.678 nan 8.310 nan 0.000 0.504 808 M N 0.184 119.708 119.600 -0.127 0.000 2.658 808 M HA 0.484 4.964 4.480 -0.000 0.000 0.295 808 M C -1.130 175.111 176.300 -0.098 0.000 1.248 808 M CA -1.043 54.231 55.300 -0.043 0.000 0.843 808 M CB 1.913 34.523 32.600 0.017 0.000 1.749 808 M HN 0.090 nan 8.290 nan 0.000 0.464 809 L N 2.162 123.360 121.223 -0.042 0.000 2.578 809 L HA 0.346 4.686 4.340 -0.000 0.000 0.279 809 L C -0.499 176.222 176.870 -0.247 0.000 1.227 809 L CA 0.662 55.410 54.840 -0.153 0.000 0.900 809 L CB 0.196 42.103 42.059 -0.252 0.000 1.144 809 L HN 0.725 nan 8.230 nan 0.000 0.496 810 A N 5.259 127.907 122.820 -0.286 0.000 2.304 810 A HA 0.550 4.870 4.320 -0.000 0.000 0.314 810 A C -0.501 176.936 177.584 -0.245 0.000 1.187 810 A CA -0.826 50.981 52.037 -0.384 0.000 0.810 810 A CB 0.690 19.344 19.000 -0.576 0.000 1.183 810 A HN 0.666 nan 8.150 nan 0.000 0.487 811 K N 2.478 122.773 120.400 -0.174 0.000 2.258 811 K HA 0.315 4.635 4.320 -0.000 0.000 0.284 811 K C -0.521 176.041 176.600 -0.064 0.000 1.051 811 K CA 0.146 56.331 56.287 -0.170 0.000 0.923 811 K CB 0.161 32.539 32.500 -0.204 0.000 1.046 811 K HN 0.667 nan 8.250 nan 0.000 0.474 812 D N 3.267 123.605 120.400 -0.103 0.000 2.697 812 D HA -0.218 4.422 4.640 -0.000 0.000 0.238 812 D C -0.258 176.025 176.300 -0.028 0.000 1.152 812 D CA 0.602 54.577 54.000 -0.041 0.000 0.666 812 D CB -0.616 40.180 40.800 -0.008 0.000 1.037 812 D HN 0.459 nan 8.370 nan 0.000 0.423 813 I N 0.540 120.945 120.570 -0.274 0.000 2.710 813 I HA -0.013 4.157 4.170 -0.000 0.000 0.286 813 I C 0.626 176.377 176.117 -0.610 0.000 1.181 813 I CA 0.506 61.545 61.300 -0.435 0.000 1.430 813 I CB 0.180 37.797 38.000 -0.638 0.000 1.367 813 I HN 0.027 nan 8.210 nan 0.000 0.577 814 F N 8.560 128.049 119.950 -0.767 0.000 2.434 814 F HA 0.476 5.003 4.527 -0.000 0.000 0.355 814 F C -0.336 175.009 175.800 -0.758 0.000 1.115 814 F CA -1.500 55.881 58.000 -1.032 0.000 1.010 814 F CB 0.672 39.085 39.000 -0.977 0.000 1.234 814 F HN 0.193 nan 8.300 nan 0.000 0.439 815 I N 5.519 125.598 120.570 -0.819 0.000 2.294 815 I HA 0.179 4.349 4.170 -0.000 0.000 0.295 815 I C 0.152 175.747 176.117 -0.869 0.000 1.098 815 I CA 0.029 60.912 61.300 -0.694 0.000 1.277 815 I CB 0.390 38.185 38.000 -0.342 0.000 1.434 815 I HN 0.547 nan 8.210 nan 0.000 0.498 816 E N 5.944 125.510 120.200 -1.057 0.000 2.197 816 E HA 0.430 4.780 4.350 -0.000 0.000 0.281 816 E C -0.535 175.859 176.600 -0.343 0.000 0.995 816 E CA -0.495 55.333 56.400 -0.953 0.000 0.808 816 E CB 1.134 30.137 29.700 -1.161 0.000 1.093 816 E HN 0.638 nan 8.360 nan 0.000 0.394 817 T N 0.961 115.454 114.554 -0.102 0.000 2.916 817 T HA 0.459 4.809 4.350 -0.000 0.000 0.292 817 T C -2.305 172.381 174.700 -0.023 0.000 1.064 817 T CA -1.783 60.285 62.100 -0.053 0.000 1.011 817 T CB 1.682 70.531 68.868 -0.032 0.000 1.152 817 T HN 0.232 nan 8.240 nan 0.000 0.510 818 P HA 0.288 nan 4.420 nan 0.000 0.251 818 P C -0.031 177.260 177.300 -0.015 0.000 1.223 818 P CA -0.036 63.052 63.100 -0.019 0.000 0.796 818 P CB 0.045 31.730 31.700 -0.024 0.000 1.068 819 L N 0.812 122.026 121.223 -0.016 0.000 2.313 819 L HA 0.165 4.505 4.340 -0.000 0.000 0.282 819 L C 0.749 177.618 176.870 -0.002 0.000 1.092 819 L CA -0.638 54.190 54.840 -0.020 0.000 0.831 819 L CB 0.095 42.132 42.059 -0.037 0.000 1.159 819 L HN -0.062 nan 8.230 nan 0.000 0.442 820 Q N 2.520 122.307 119.800 -0.022 0.000 2.286 820 Q HA 0.051 4.391 4.340 -0.000 0.000 0.290 820 Q C 1.230 177.255 176.000 0.041 0.000 1.049 820 Q CA 1.007 56.804 55.803 -0.011 0.000 0.923 820 Q CB 0.858 29.530 28.738 -0.111 0.000 1.183 820 Q HN 0.949 nan 8.270 nan 0.000 0.383 821 G N 1.600 110.455 108.800 0.091 0.000 2.168 821 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.263 821 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.263 821 G C 0.416 175.335 174.900 0.032 0.000 0.977 821 G CA 0.216 45.367 45.100 0.084 0.000 0.659 821 G HN 0.934 nan 8.290 nan 0.000 0.533 822 A N -0.025 122.799 122.820 0.007 0.000 2.531 822 A HA 0.573 4.893 4.320 -0.000 0.000 0.236 822 A C 0.859 178.367 177.584 -0.127 0.000 1.062 822 A CA 0.505 52.476 52.037 -0.109 0.000 0.760 822 A CB 0.220 19.097 19.000 -0.206 0.000 0.995 822 A HN 0.559 nan 8.150 nan 0.000 0.501 823 R N 0.723 121.090 120.500 -0.221 0.000 2.407 823 R HA 0.488 4.828 4.340 -0.000 0.000 0.303 823 R C -1.625 174.512 176.300 -0.272 0.000 0.981 823 R CA -0.157 55.812 56.100 -0.218 0.000 0.905 823 R CB 1.270 31.450 30.300 -0.201 0.000 1.099 823 R HN 0.754 nan 8.270 nan 0.000 0.459 824 Y N -0.110 120.091 120.300 -0.164 0.000 2.393 824 Y HA 0.062 4.612 4.550 -0.000 0.000 0.341 824 Y C 1.561 177.434 175.900 -0.046 0.000 0.988 824 Y CA -0.524 57.546 58.100 -0.050 0.000 1.078 824 Y CB 2.216 40.709 38.460 0.055 0.000 1.203 824 Y HN 0.715 nan 8.280 nan 0.000 0.453 825 S N -0.059 115.711 115.700 0.116 0.000 2.400 825 S HA -0.124 4.346 4.470 -0.000 0.000 0.232 825 S C 0.149 174.848 174.600 0.166 0.000 1.025 825 S CA 1.615 59.865 58.200 0.084 0.000 0.993 825 S CB 0.012 63.237 63.200 0.041 0.000 0.808 825 S HN 0.754 nan 8.310 nan 0.000 0.478 826 D N -0.803 119.732 120.400 0.226 0.000 2.653 826 D HA 0.607 5.247 4.640 -0.000 0.000 0.258 826 D C -1.668 174.697 176.300 0.108 0.000 1.252 826 D CA -0.495 53.639 54.000 0.223 0.000 0.777 826 D CB 1.670 42.508 40.800 0.064 0.000 1.339 826 D HN 0.080 nan 8.370 nan 0.000 0.422 827 N N 0.322 118.868 118.700 -0.257 0.000 3.185 827 N HA 0.321 5.061 4.740 -0.000 0.000 0.238 827 N C -1.170 174.003 175.510 -0.561 0.000 1.451 827 N CA -0.459 52.194 53.050 -0.661 0.000 0.888 827 N CB 0.731 38.529 38.487 -1.148 0.000 1.413 827 N HN 0.457 nan 8.380 nan 0.000 0.511 828 F N -0.200 119.355 119.950 -0.658 0.000 3.027 828 F HA -0.227 4.300 4.527 -0.000 0.000 0.276 828 F C -0.456 175.179 175.800 -0.274 0.000 0.967 828 F CA 0.664 58.404 58.000 -0.434 0.000 0.929 828 F CB -1.784 37.021 39.000 -0.325 0.000 0.873 828 F HN 0.325 nan 8.300 nan 0.000 0.787 829 F N -2.009 117.901 119.950 -0.066 0.000 2.579 829 F HA 0.727 5.254 4.527 -0.000 0.000 0.324 829 F C 0.110 175.864 175.800 -0.075 0.000 1.058 829 F CA -2.044 55.922 58.000 -0.057 0.000 0.944 829 F CB 0.691 39.647 39.000 -0.072 0.000 1.245 829 F HN -0.173 nan 8.300 nan 0.000 0.477 830 D N 2.253 122.750 120.400 0.162 0.000 2.390 830 D HA 0.191 4.831 4.640 -0.000 0.000 0.249 830 D C -0.698 175.692 176.300 0.149 0.000 1.144 830 D CA 0.082 54.115 54.000 0.054 0.000 0.880 830 D CB 2.055 42.868 40.800 0.021 0.000 1.182 830 D HN 0.467 nan 8.370 nan 0.000 0.451 831 L N 3.810 125.059 121.223 0.043 0.000 2.261 831 L HA 0.238 4.578 4.340 -0.000 0.000 0.289 831 L C -0.600 176.205 176.870 -0.109 0.000 1.059 831 L CA -0.311 54.545 54.840 0.027 0.000 0.816 831 L CB 0.441 42.501 42.059 0.002 0.000 1.191 831 L HN 0.215 nan 8.230 nan 0.000 0.431 832 L N 6.982 128.140 121.223 -0.108 0.000 2.375 832 L HA 0.468 4.808 4.340 -0.000 0.000 0.271 832 L C -1.889 174.937 176.870 -0.074 0.000 1.107 832 L CA -2.083 52.686 54.840 -0.117 0.000 0.806 832 L CB 0.628 42.640 42.059 -0.078 0.000 1.146 832 L HN 0.477 nan 8.230 nan 0.000 0.447 833 P HA 0.002 nan 4.420 nan 0.000 0.263 833 P C 0.741 177.992 177.300 -0.082 0.000 1.195 833 P CA 0.597 63.671 63.100 -0.042 0.000 0.762 833 P CB 0.714 32.473 31.700 0.097 0.000 0.799 834 G N 2.600 111.209 108.800 -0.318 0.000 2.155 834 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.257 834 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.257 834 G C -0.143 174.824 174.900 0.113 0.000 0.983 834 G CA -0.074 44.958 45.100 -0.114 0.000 0.676 834 G HN 0.613 nan 8.290 nan 0.000 0.528 835 E N 0.725 120.913 120.200 -0.020 0.000 2.101 835 E HA 0.350 4.700 4.350 -0.000 0.000 0.260 835 E C 0.723 177.383 176.600 0.100 0.000 0.897 835 E CA -0.790 55.660 56.400 0.083 0.000 0.744 835 E CB 0.982 30.704 29.700 0.037 0.000 1.140 835 E HN 0.326 nan 8.360 nan 0.000 0.419 836 R N 2.079 122.731 120.500 0.253 0.000 2.758 836 R HA 0.045 4.385 4.340 -0.000 0.000 0.263 836 R C 0.035 176.385 176.300 0.085 0.000 1.010 836 R CA 0.607 56.854 56.100 0.244 0.000 1.114 836 R CB 0.369 30.797 30.300 0.213 0.000 0.985 836 R HN 0.201 nan 8.270 nan 0.000 0.439 837 K N 0.699 121.137 120.400 0.064 0.000 2.601 837 K HA 0.077 4.397 4.320 -0.000 0.000 0.249 837 K C -1.473 175.122 176.600 -0.009 0.000 0.966 837 K CA -0.541 55.725 56.287 -0.035 0.000 0.827 837 K CB 1.549 33.977 32.500 -0.120 0.000 1.178 837 K HN 0.169 nan 8.250 nan 0.000 0.437 838 K N 3.707 124.087 120.400 -0.032 0.000 2.248 838 K HA 0.488 4.808 4.320 -0.000 0.000 0.281 838 K C -1.301 175.286 176.600 -0.020 0.000 1.054 838 K CA -0.524 55.759 56.287 -0.006 0.000 0.903 838 K CB 1.098 33.596 32.500 -0.004 0.000 1.077 838 K HN 0.439 nan 8.250 nan 0.000 0.474 839 V N 6.484 126.409 119.914 0.019 0.000 2.448 839 V HA 0.501 4.621 4.120 -0.000 0.000 0.295 839 V C -0.072 176.038 176.094 0.026 0.000 1.025 839 V CA -0.833 61.494 62.300 0.045 0.000 0.859 839 V CB 1.597 33.501 31.823 0.134 0.000 0.988 839 V HN 0.821 nan 8.190 nan 0.000 0.431 840 I N 6.158 126.736 120.570 0.014 0.000 2.331 840 I HA 0.464 4.634 4.170 -0.000 0.000 0.292 840 I C -0.414 175.653 176.117 -0.083 0.000 0.998 840 I CA -0.133 61.150 61.300 -0.028 0.000 1.267 840 I CB 1.147 39.130 38.000 -0.028 0.000 1.386 840 I HN 0.403 nan 8.210 nan 0.000 0.476 841 I N 5.767 126.241 120.570 -0.160 0.000 2.382 841 I HA 0.324 4.494 4.170 -0.000 0.000 0.286 841 I C 0.009 175.983 176.117 -0.238 0.000 1.002 841 I CA -0.424 60.676 61.300 -0.333 0.000 1.135 841 I CB 1.635 39.356 38.000 -0.465 0.000 1.288 841 I HN 0.563 nan 8.210 nan 0.000 0.448 842 T N 1.728 116.146 114.554 -0.226 0.000 2.855 842 T HA 0.739 5.089 4.350 -0.000 0.000 0.281 842 T C -0.401 174.208 174.700 -0.151 0.000 1.007 842 T CA -0.792 61.218 62.100 -0.150 0.000 1.009 842 T CB 1.985 70.790 68.868 -0.104 0.000 0.983 842 T HN 0.559 nan 8.240 nan 0.000 0.455 843 S N 2.218 117.853 115.700 -0.109 0.000 2.543 843 S HA 0.528 4.998 4.470 -0.000 0.000 0.274 843 S C -2.549 172.020 174.600 -0.052 0.000 1.149 843 S CA -1.095 57.057 58.200 -0.080 0.000 0.866 843 S CB 1.664 64.810 63.200 -0.091 0.000 1.111 843 S HN 0.422 nan 8.310 nan 0.000 0.457 844 P HA 0.030 nan 4.420 nan 0.000 0.223 844 P C 1.167 178.457 177.300 -0.017 0.000 1.151 844 P CA 0.539 63.628 63.100 -0.018 0.000 0.787 844 P CB 0.096 31.793 31.700 -0.005 0.000 0.788 845 R N -1.016 119.471 120.500 -0.021 0.000 2.313 845 R HA 0.174 4.514 4.340 -0.000 0.000 0.199 845 R C 1.025 177.309 176.300 -0.026 0.000 0.958 845 R CA 0.120 56.210 56.100 -0.018 0.000 1.047 845 R CB -1.559 28.731 30.300 -0.016 0.000 0.955 845 R HN 0.306 nan 8.270 nan 0.000 0.481 846 I N 2.091 122.640 120.570 -0.036 0.000 2.322 846 I HA 0.309 4.479 4.170 -0.000 0.000 0.292 846 I C 0.585 176.686 176.117 -0.027 0.000 1.060 846 I CA -0.030 61.247 61.300 -0.038 0.000 1.309 846 I CB 0.848 38.815 38.000 -0.055 0.000 1.415 846 I HN 0.152 nan 8.210 nan 0.000 0.492 847 K N 4.449 124.837 120.400 -0.021 0.000 2.323 847 K HA 0.609 4.929 4.320 -0.000 0.000 0.259 847 K C 0.862 177.453 176.600 -0.014 0.000 0.947 847 K CA -0.167 56.111 56.287 -0.015 0.000 0.819 847 K CB 1.195 nan 32.500 nan 0.000 1.109 847 K HN 0.653 nan 8.250 nan 0.000 0.429 848 K N 1.014 121.406 120.400 -0.013 0.000 2.097 848 K HA -0.185 4.135 4.320 -0.000 0.000 0.214 848 K C 2.446 179.041 176.600 -0.009 0.000 1.052 848 K CA 3.079 59.360 56.287 -0.011 0.000 0.932 848 K CB -1.529 nan 32.500 nan 0.000 0.716 848 K HN 1.303 nan 8.250 nan 0.000 0.455 849 G N 0.138 108.933 108.800 -0.007 0.000 2.514 849 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.217 849 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.217 849 G C 0.930 175.826 174.900 -0.007 0.000 1.198 849 G CA 1.018 46.114 45.100 -0.006 0.000 0.780 849 G HN 0.650 nan 8.290 nan 0.000 0.565 850 E N 0.461 120.657 120.200 -0.007 0.000 2.134 850 E HA 0.386 4.736 4.350 -0.000 0.000 0.278 850 E C -0.478 176.117 176.600 -0.009 0.000 0.959 850 E CA -0.662 55.733 56.400 -0.007 0.000 0.783 850 E CB 1.178 30.873 29.700 -0.007 0.000 1.095 850 E HN 0.466 nan 8.360 nan 0.000 0.399 851 E N 3.583 123.779 120.200 -0.006 0.000 2.313 851 E HA 0.182 4.532 4.350 -0.000 0.000 0.276 851 E C -0.474 176.122 176.600 -0.006 0.000 1.031 851 E CA -0.686 55.712 56.400 -0.003 0.000 0.857 851 E CB 0.835 30.537 29.700 0.004 0.000 1.040 851 E HN 0.460 nan 8.360 nan 0.000 0.408 852 L N 7.260 128.476 121.223 -0.010 0.000 2.369 852 L HA 0.280 4.620 4.340 -0.000 0.000 0.279 852 L C -2.338 174.521 176.870 -0.019 0.000 1.108 852 L CA -1.656 53.169 54.840 -0.025 0.000 0.852 852 L CB 0.354 42.385 42.059 -0.046 0.000 1.169 852 L HN 0.470 nan 8.230 nan 0.000 0.452 853 P HA 0.155 nan 4.420 nan 0.000 0.265 853 P C -1.274 175.988 177.300 -0.064 0.000 1.193 853 P CA -0.017 63.065 63.100 -0.030 0.000 0.765 853 P CB 0.701 32.380 31.700 -0.034 0.000 0.823 854 V N 3.243 123.114 119.914 -0.072 0.000 2.569 854 V HA 0.392 4.512 4.120 -0.000 0.000 0.301 854 V C -0.421 175.569 176.094 -0.173 0.000 1.044 854 V CA -0.505 61.693 62.300 -0.170 0.000 0.874 854 V CB 1.868 33.526 31.823 -0.275 0.000 1.002 854 V HN 0.516 nan 8.190 nan 0.000 0.424 855 N N 4.953 123.497 118.700 -0.260 0.000 2.442 855 N HA 0.511 5.251 4.740 -0.000 0.000 0.274 855 N C -1.080 174.184 175.510 -0.409 0.000 1.002 855 N CA -0.429 52.459 53.050 -0.271 0.000 0.910 855 N CB 1.202 39.535 38.487 -0.257 0.000 1.244 855 N HN 0.630 nan 8.380 nan 0.000 0.492 856 I N 3.355 123.728 120.570 -0.329 0.000 2.297 856 I HA 0.250 4.420 4.170 -0.000 0.000 0.291 856 I C 0.294 176.211 176.117 -0.333 0.000 1.033 856 I CA -0.602 60.481 61.300 -0.361 0.000 1.253 856 I CB 0.757 38.609 38.000 -0.246 0.000 1.396 856 I HN 0.266 nan 8.210 nan 0.000 0.476 857 K N 5.742 125.838 120.400 -0.506 0.000 2.118 857 K HA 0.669 4.989 4.320 -0.000 0.000 0.254 857 K C -0.832 175.479 176.600 -0.482 0.000 0.961 857 K CA -0.758 55.144 56.287 -0.641 0.000 0.876 857 K CB 1.712 33.561 32.500 -1.085 0.000 1.077 857 K HN 0.675 nan 8.250 nan 0.000 0.440 858 H N -1.959 116.884 119.070 -0.379 0.000 2.981 858 H HA 0.281 4.837 4.556 -0.000 0.000 0.327 858 H C 0.235 175.607 175.328 0.074 0.000 1.342 858 H CA -0.946 55.039 56.048 -0.106 0.000 1.123 858 H CB 0.355 30.031 29.762 -0.143 0.000 1.851 858 H HN 0.282 nan 8.280 nan 0.000 0.531 859 I N 0.027 120.739 120.570 0.237 0.000 2.315 859 I HA -0.117 4.053 4.170 -0.000 0.000 0.248 859 I C 2.425 178.600 176.117 0.097 0.000 1.117 859 I CA 1.179 62.614 61.300 0.225 0.000 1.404 859 I CB -0.713 37.401 38.000 0.189 0.000 1.071 859 I HN 0.694 nan 8.210 nan 0.000 0.419 860 R N 1.902 122.416 120.500 0.024 0.000 2.127 860 R HA -0.187 4.153 4.340 -0.000 0.000 0.238 860 R C 1.822 177.789 176.300 -0.555 0.000 1.134 860 R CA 1.474 57.427 56.100 -0.244 0.000 0.975 860 R CB -0.572 29.726 30.300 -0.004 0.000 0.865 860 R HN 0.374 nan 8.270 nan 0.000 0.447 861 E N -0.862 119.032 120.200 -0.510 0.000 2.472 861 E HA -0.081 4.269 4.350 -0.000 0.000 0.200 861 E C 0.721 177.146 176.600 -0.292 0.000 1.046 861 E CA 1.319 57.446 56.400 -0.456 0.000 0.871 861 E CB 0.152 29.504 29.700 -0.579 0.000 0.806 861 E HN 0.617 nan 8.360 nan 0.000 0.533 862 T N -2.083 112.347 114.554 -0.207 0.000 3.069 862 T HA 0.037 4.387 4.350 -0.000 0.000 0.252 862 T C 0.087 174.855 174.700 0.113 0.000 1.053 862 T CA -0.397 61.715 62.100 0.019 0.000 0.964 862 T CB -0.127 68.847 68.868 0.176 0.000 1.005 862 T HN 0.162 nan 8.240 nan 0.000 0.532 863 Y N -0.899 119.407 120.300 0.009 0.000 2.562 863 Y HA 0.751 5.301 4.550 -0.000 0.000 0.345 863 Y C -0.738 175.172 175.900 0.016 0.000 1.045 863 Y CA -2.059 56.055 58.100 0.025 0.000 1.028 863 Y CB 1.474 39.957 38.460 0.038 0.000 1.297 863 Y HN -0.115 nan 8.280 nan 0.000 0.463 864 K N 2.087 122.602 120.400 0.192 0.000 2.213 864 K HA 0.325 4.645 4.320 -0.000 0.000 0.270 864 K C -1.074 175.644 176.600 0.197 0.000 1.002 864 K CA -0.469 55.880 56.287 0.104 0.000 0.868 864 K CB 1.137 33.686 32.500 0.082 0.000 1.093 864 K HN 0.855 nan 8.250 nan 0.000 0.454 865 E N 2.335 122.604 120.200 0.114 0.000 2.331 865 E HA 0.133 4.483 4.350 -0.000 0.000 0.272 865 E C -0.750 175.830 176.600 -0.034 0.000 1.036 865 E CA -0.184 56.283 56.400 0.112 0.000 0.864 865 E CB 0.618 30.360 29.700 0.070 0.000 1.035 865 E HN 0.471 nan 8.360 nan 0.000 0.408 866 H N 1.381 120.449 119.070 -0.004 0.000 2.615 866 H HA 0.243 4.799 4.556 -0.000 0.000 0.346 866 H C -0.159 175.141 175.328 -0.048 0.000 1.200 866 H CA -0.758 55.266 56.048 -0.040 0.000 1.264 866 H CB 0.904 30.674 29.762 0.013 0.000 1.699 866 H HN 0.646 nan 8.280 nan 0.000 0.567 867 H N 0.000 119.151 119.070 0.135 0.000 2.539 867 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 867 H CA 0.000 56.097 56.048 0.082 0.000 1.023 867 H CB 0.000 29.800 29.762 0.064 0.000 1.292 867 H HN 0.000 nan 8.280 nan 0.000 0.496