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 1vsz_1_C DATA FIRST_RESID 2 DATA SEQUENCE ATPSMMPQWS YMHISGQDAS EYLSPGLVQF ARATETYFSL NNKFRNPTVA DATA SEQUENCE PTHDVTTDRS QRLTLRFIPV DREDTAYSYK ARFTLAVGDN RVLDMASTYF DATA SEQUENCE DIRGVLDRGP TFKPYSGTAY NALAPKGAPN PCEWDXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXTHVFGQ APYSGINITK EGIQIGVEGQ TPKYADKTFQ DATA SEQUENCE PEPQIGESQW YETEINHAAG RVLKKTTPMK PCYGSYAKPT NENGGQGILV DATA SEQUENCE KQQNGKLESQ VEMQFFSTTX XXXXXXXNLT PKVVLYSEDV DIETPDTHIS DATA SEQUENCE YMPTIKEGNS RELMGQQSMP NRPNYIAFRD NFIGLMYYNS TGNMGVLAGQ DATA SEQUENCE ASQLNAVVDL QDRNTELSYQ LLLDSIGDRT RYFSMWNQAV DSYDPDVRII DATA SEQUENCE ENHGTEDELP NYCFPLGGVI NTETLTKVKP KTGQENGWEK DAXXFSDKNE DATA SEQUENCE IRVGNNFAME INLNANLWRN FLYSNIALYL PDKLKYSPSN VKISDNPNTY DATA SEQUENCE DYMNKRVVAP GLVDCYINLG ARWSLDYMDN VNPFNHHRNA GLRYRSMLLG DATA SEQUENCE NGRYVPFHIQ VPQKFFAIKN LLLLPGSYTY EWNFRKDVNM VLQSSLGNDL DATA SEQUENCE RVDGASIKFD SICLYATFFP MAHNTASTLE AMLRNDTNDQ SFNDYLSAAN DATA SEQUENCE MLYPIPANAT NVPISIPSRN WAAFRGWAFT RLKTKETPSL GSGYDPYYTY DATA SEQUENCE SGSIPYLDGT FYLNHTFKKV AITFDSSVSW PGNDRLLTPN EFEIKRSVDG DATA SEQUENCE EGYNVAQCNM TKDWFLVQML ANYNIGYQGF YIPESYKDRM YSFFRNFQPM DATA SEQUENCE SRQVVDDTKY KDYQQVGILH QHNNSGFVGY LAPTMREGQA YPANFPYPLI DATA SEQUENCE GKTAVDSITQ KKFLCDRTLW RIPFSSNFMS MGALTDLGQN LLYANSAHAL DATA SEQUENCE DMTFEVDPMD EPTLLYVLFE VFDVVRVHRP HRGVIETVYL RTPFSA 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.607 177.584 0.038 0.000 1.274 2 A CA 0.000 52.057 52.037 0.034 0.000 0.836 2 A CB 0.000 19.027 19.000 0.044 0.000 0.831 3 T N 0.711 115.284 114.554 0.032 0.000 0.541 3 T HA -0.054 4.296 4.350 -0.000 0.000 0.774 3 T C -2.346 172.372 174.700 0.030 0.000 0.992 3 T CA 0.913 63.039 62.100 0.043 0.000 4.077 3 T CB -1.287 67.621 68.868 0.067 0.000 2.303 3 T HN 1.302 nan 8.240 nan 0.000 0.398 4 P HA 0.573 nan 4.420 nan 0.000 0.338 4 P C 0.870 178.244 177.300 0.123 0.000 1.273 4 P CA 0.539 63.720 63.100 0.135 0.000 0.778 4 P CB 0.076 31.955 31.700 0.299 0.000 1.452 5 S N -0.349 115.458 115.700 0.178 0.000 2.398 5 S HA -0.126 4.344 4.470 -0.000 0.000 0.220 5 S C 1.330 176.008 174.600 0.128 0.000 1.038 5 S CA 1.612 59.895 58.200 0.138 0.000 1.080 5 S CB -1.023 62.262 63.200 0.141 0.000 1.039 5 S HN 0.648 nan 8.310 nan 0.000 0.419 6 M N -2.263 117.459 119.600 0.203 0.000 2.631 6 M HA 0.633 5.113 4.480 -0.000 0.000 0.279 6 M C -0.850 175.518 176.300 0.113 0.000 1.179 6 M CA -1.190 54.193 55.300 0.138 0.000 1.222 6 M CB -0.054 32.634 32.600 0.147 0.000 1.709 6 M HN 0.132 nan 8.290 nan 0.000 0.678 7 M N 2.062 121.726 119.600 0.107 0.000 3.836 7 M HA -0.154 4.326 4.480 -0.000 0.000 0.249 7 M C -2.393 173.562 176.300 -0.575 0.000 1.414 7 M CA 0.318 55.597 55.300 -0.036 0.000 0.990 7 M CB -1.228 31.640 32.600 0.447 0.000 1.410 7 M HN 0.589 nan 8.290 nan 0.000 0.319 8 P HA 0.083 nan 4.420 nan 0.000 0.199 8 P C 0.773 177.631 177.300 -0.738 0.000 1.201 8 P CA 0.494 63.261 63.100 -0.555 0.000 0.880 8 P CB -0.039 31.483 31.700 -0.297 0.000 0.714 9 Q N -0.013 119.534 119.800 -0.422 0.000 2.483 9 Q HA -0.238 4.102 4.340 -0.000 0.000 0.229 9 Q C 1.736 177.615 176.000 -0.200 0.000 1.113 9 Q CA 2.770 58.425 55.803 -0.246 0.000 1.004 9 Q CB -2.207 26.486 28.738 -0.076 0.000 1.033 9 Q HN 0.572 nan 8.270 nan 0.000 0.534 10 W N -0.505 120.795 121.300 -0.001 0.000 3.377 10 W HA 0.440 5.100 4.660 -0.000 0.000 0.277 10 W C 1.239 177.739 176.519 -0.031 0.000 1.311 10 W CA 0.565 57.901 57.345 -0.015 0.000 1.703 10 W CB -0.560 28.896 29.460 -0.007 0.000 1.095 10 W HN 0.256 nan 8.180 nan 0.000 0.715 11 S N 0.309 115.860 115.700 -0.249 0.000 2.877 11 S HA -0.083 4.387 4.470 -0.000 0.000 0.230 11 S C 1.451 175.959 174.600 -0.153 0.000 0.999 11 S CA 0.057 58.154 58.200 -0.173 0.000 0.866 11 S CB -1.150 61.861 63.200 -0.316 0.000 0.819 11 S HN 0.088 nan 8.310 nan 0.000 0.607 12 Y N 1.682 121.822 120.300 -0.267 0.000 2.723 12 Y HA 0.253 4.803 4.550 -0.000 0.000 0.286 12 Y C 0.342 176.049 175.900 -0.321 0.000 1.159 12 Y CA 0.863 58.815 58.100 -0.246 0.000 1.442 12 Y CB -0.279 38.066 38.460 -0.192 0.000 0.959 12 Y HN 0.281 nan 8.280 nan 0.000 0.581 13 M N 0.556 119.972 119.600 -0.307 0.000 2.124 13 M HA 0.203 4.683 4.480 -0.000 0.000 0.280 13 M C -1.189 174.902 176.300 -0.348 0.000 0.954 13 M CA -0.411 54.645 55.300 -0.408 0.000 0.958 13 M CB 0.970 33.487 32.600 -0.137 0.000 1.611 13 M HN 0.023 nan 8.290 nan 0.000 0.449 14 H N 5.931 124.894 119.070 -0.180 0.000 3.286 14 H HA 0.033 4.589 4.556 -0.000 0.000 0.245 14 H C 0.373 175.682 175.328 -0.032 0.000 0.932 14 H CA 0.719 56.651 56.048 -0.194 0.000 1.407 14 H CB 0.076 29.578 29.762 -0.432 0.000 1.540 14 H HN 0.726 nan 8.280 nan 0.000 0.516 15 I N 0.796 121.445 120.570 0.131 0.000 4.197 15 I HA -0.023 4.147 4.170 -0.000 0.000 0.307 15 I C 0.314 176.497 176.117 0.109 0.000 1.236 15 I CA 0.192 61.574 61.300 0.137 0.000 1.321 15 I CB 0.632 38.752 38.000 0.200 0.000 1.309 15 I HN 0.332 nan 8.210 nan 0.000 0.450 16 S N -0.089 115.697 115.700 0.143 0.000 2.564 16 S HA 0.608 5.078 4.470 -0.000 0.000 0.274 16 S C 0.542 175.205 174.600 0.106 0.000 1.124 16 S CA -0.096 58.151 58.200 0.077 0.000 0.869 16 S CB 1.904 65.090 63.200 -0.022 0.000 1.105 16 S HN 0.501 nan 8.310 nan 0.000 0.472 17 G N 0.432 109.273 108.800 0.069 0.000 2.296 17 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.282 17 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.282 17 G C -0.182 174.787 174.900 0.115 0.000 1.014 17 G CA 0.894 46.039 45.100 0.074 0.000 0.812 17 G HN 0.899 nan 8.290 nan 0.000 0.508 18 Q N -0.486 119.402 119.800 0.146 0.000 2.263 18 Q HA 0.492 4.832 4.340 -0.000 0.000 0.266 18 Q C -1.840 174.337 176.000 0.295 0.000 1.002 18 Q CA -0.759 55.199 55.803 0.258 0.000 0.790 18 Q CB 1.727 30.641 28.738 0.294 0.000 1.272 18 Q HN 0.230 nan 8.270 nan 0.000 0.435 19 D N 0.856 121.340 120.400 0.140 0.000 2.547 19 D HA 0.519 5.159 4.640 -0.000 0.000 0.231 19 D C 0.219 175.967 176.300 -0.920 0.000 1.099 19 D CA -0.117 53.762 54.000 -0.201 0.000 0.901 19 D CB 2.025 42.747 40.800 -0.130 0.000 1.478 19 D HN 0.539 nan 8.370 nan 0.000 0.471 20 A N 0.849 122.920 122.820 -1.249 0.000 1.972 20 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 20 A C 1.937 179.201 177.584 -0.532 0.000 1.169 20 A CA 1.521 52.792 52.037 -1.277 0.000 0.635 20 A CB -0.411 18.252 19.000 -0.561 0.000 0.810 20 A HN 0.417 nan 8.150 nan 0.000 0.446 21 S N -0.930 114.583 115.700 -0.312 0.000 2.584 21 S HA -0.059 4.411 4.470 -0.000 0.000 0.240 21 S C 1.110 175.633 174.600 -0.128 0.000 0.975 21 S CA 1.356 59.465 58.200 -0.152 0.000 0.949 21 S CB -0.199 62.949 63.200 -0.088 0.000 0.761 21 S HN 0.701 nan 8.310 nan 0.000 0.536 22 E N -1.833 118.253 120.200 -0.189 0.000 2.641 22 E HA 0.174 4.524 4.350 -0.000 0.000 0.224 22 E C 0.376 177.006 176.600 0.049 0.000 0.951 22 E CA -0.094 56.273 56.400 -0.056 0.000 1.102 22 E CB 0.647 30.345 29.700 -0.003 0.000 1.091 22 E HN 0.708 nan 8.360 nan 0.000 0.507 23 Y N -1.728 118.579 120.300 0.012 0.000 2.811 23 Y HA 0.417 4.967 4.550 -0.000 0.000 0.117 23 Y C 0.618 176.524 175.900 0.009 0.000 0.894 23 Y CA -0.965 57.147 58.100 0.019 0.000 1.862 23 Y CB -0.395 38.089 38.460 0.041 0.000 1.207 23 Y HN -0.307 nan 8.280 nan 0.000 0.259 24 L N 2.312 123.812 121.223 0.462 0.000 2.436 24 L HA -0.101 4.239 4.340 -0.000 0.000 0.301 24 L C 0.845 177.768 176.870 0.087 0.000 1.342 24 L CA 1.057 56.040 54.840 0.238 0.000 0.821 24 L CB -0.218 41.975 42.059 0.224 0.000 1.034 24 L HN 0.683 nan 8.230 nan 0.000 0.621 25 S N 0.488 116.225 115.700 0.061 0.000 2.523 25 S HA 0.210 4.680 4.470 -0.000 0.000 0.275 25 S C -1.342 173.258 174.600 -0.001 0.000 1.281 25 S CA -1.309 56.906 58.200 0.025 0.000 1.050 25 S CB 1.254 64.469 63.200 0.023 0.000 0.937 25 S HN 0.406 nan 8.310 nan 0.000 0.492 26 P HA -0.229 nan 4.420 nan 0.000 0.232 26 P C 1.399 178.655 177.300 -0.074 0.000 1.150 26 P CA 2.154 65.222 63.100 -0.053 0.000 0.911 26 P CB -0.542 31.125 31.700 -0.055 0.000 0.776 27 G N -2.134 106.640 108.800 -0.043 0.000 2.535 27 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.218 27 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.218 27 G C 1.286 176.202 174.900 0.027 0.000 1.122 27 G CA 0.461 45.543 45.100 -0.030 0.000 0.769 27 G HN 0.264 nan 8.290 nan 0.000 0.549 28 L N -0.538 120.694 121.223 0.015 0.000 2.388 28 L HA 0.208 4.548 4.340 -0.000 0.000 0.209 28 L C 2.697 179.593 176.870 0.043 0.000 1.061 28 L CA 0.409 55.277 54.840 0.046 0.000 0.834 28 L CB -0.034 42.036 42.059 0.019 0.000 1.029 28 L HN 0.019 nan 8.230 nan 0.000 0.473 29 V N -1.224 118.675 119.914 -0.024 0.000 2.488 29 V HA -0.168 3.952 4.120 -0.000 0.000 0.246 29 V C 1.544 177.598 176.094 -0.066 0.000 1.046 29 V CA 0.841 63.114 62.300 -0.046 0.000 1.053 29 V CB -0.427 31.354 31.823 -0.069 0.000 0.679 29 V HN 0.356 nan 8.190 nan 0.000 0.458 30 Q N -0.176 119.519 119.800 -0.174 0.000 2.800 30 Q HA 0.174 4.514 4.340 -0.000 0.000 0.261 30 Q C -0.427 175.255 176.000 -0.530 0.000 1.093 30 Q CA 0.434 56.040 55.803 -0.328 0.000 0.943 30 Q CB -0.573 27.906 28.738 -0.432 0.000 1.591 30 Q HN 0.699 nan 8.270 nan 0.000 0.429 31 F N -1.958 117.988 119.950 -0.007 0.000 2.481 31 F HA 0.232 4.759 4.527 -0.000 0.000 0.388 31 F C 0.605 176.408 175.800 0.005 0.000 1.418 31 F CA -0.483 57.517 58.000 0.001 0.000 1.053 31 F CB 0.208 39.198 39.000 -0.017 0.000 1.831 31 F HN 0.285 nan 8.300 nan 0.000 0.483 32 A N 0.559 123.485 122.820 0.176 0.000 2.030 32 A HA 0.099 4.419 4.320 -0.000 0.000 0.215 32 A C 1.815 179.467 177.584 0.113 0.000 1.164 32 A CA 1.148 53.252 52.037 0.112 0.000 0.697 32 A CB 0.037 19.075 19.000 0.063 0.000 0.827 32 A HN 0.527 nan 8.150 nan 0.000 0.457 33 R N -2.296 118.289 120.500 0.142 0.000 2.452 33 R HA 0.375 4.715 4.340 -0.000 0.000 0.345 33 R C 0.967 177.382 176.300 0.193 0.000 0.798 33 R CA 0.805 56.985 56.100 0.134 0.000 1.050 33 R CB -0.410 29.944 30.300 0.089 0.000 1.726 33 R HN 0.163 nan 8.270 nan 0.000 0.510 34 A N 0.455 123.452 122.820 0.295 0.000 2.072 34 A HA 0.087 4.407 4.320 -0.000 0.000 0.216 34 A C 1.143 179.159 177.584 0.720 0.000 1.156 34 A CA 1.250 53.530 52.037 0.404 0.000 0.701 34 A CB 0.044 19.161 19.000 0.194 0.000 0.816 34 A HN 0.354 nan 8.150 nan 0.000 0.458 35 T N -1.182 113.687 114.554 0.525 0.000 3.269 35 T HA 0.336 4.686 4.350 -0.000 0.000 0.269 35 T C 0.399 175.227 174.700 0.213 0.000 0.993 35 T CA 0.209 62.280 62.100 -0.048 0.000 0.909 35 T CB 0.168 68.465 68.868 -0.952 0.000 1.115 35 T HN 0.427 nan 8.240 nan 0.000 0.543 36 E N 1.456 121.819 120.200 0.272 0.000 3.869 36 E HA -0.307 4.043 4.350 -0.000 0.000 0.266 36 E C 0.806 177.481 176.600 0.124 0.000 1.286 36 E CA 2.539 59.055 56.400 0.194 0.000 2.002 36 E CB -1.847 27.966 29.700 0.187 0.000 1.775 36 E HN 0.546 nan 8.360 nan 0.000 0.302 37 T N -0.669 113.955 114.554 0.115 0.000 3.328 37 T HA 0.121 4.471 4.350 -0.000 0.000 0.297 37 T C 0.606 175.281 174.700 -0.040 0.000 0.882 37 T CA 0.316 62.434 62.100 0.030 0.000 0.906 37 T CB 0.101 68.983 68.868 0.023 0.000 1.210 37 T HN 0.402 nan 8.240 nan 0.000 0.631 38 Y N 0.175 120.311 120.300 -0.273 0.000 2.471 38 Y HA 0.629 5.179 4.550 -0.000 0.000 0.286 38 Y C -0.099 175.104 175.900 -1.162 0.000 1.188 38 Y CA -0.307 57.447 58.100 -0.577 0.000 1.286 38 Y CB 0.043 38.197 38.460 -0.509 0.000 1.072 38 Y HN 0.095 nan 8.280 nan 0.000 0.517 39 F N 0.453 120.161 119.950 -0.402 0.000 2.495 39 F HA 0.093 4.620 4.527 -0.000 0.000 0.355 39 F C -0.263 175.376 175.800 -0.268 0.000 1.155 39 F CA -1.165 56.570 58.000 -0.441 0.000 0.963 39 F CB -0.606 37.939 39.000 -0.757 0.000 1.838 39 F HN 0.069 nan 8.300 nan 0.000 0.451 40 S N 0.709 116.391 115.700 -0.030 0.000 2.475 40 S HA 0.709 5.179 4.470 -0.000 0.000 0.281 40 S C -0.037 174.608 174.600 0.076 0.000 1.198 40 S CA -0.296 57.930 58.200 0.043 0.000 1.063 40 S CB 1.281 64.505 63.200 0.040 0.000 0.972 40 S HN 0.271 nan 8.310 nan 0.000 0.486 41 L N 3.525 124.819 121.223 0.118 0.000 3.218 41 L HA 0.375 4.715 4.340 -0.000 0.000 0.279 41 L C 1.323 178.316 176.870 0.206 0.000 1.287 41 L CA -0.093 54.878 54.840 0.218 0.000 1.024 41 L CB -0.442 41.766 42.059 0.247 0.000 1.409 41 L HN 0.936 nan 8.230 nan 0.000 0.580 42 N N -1.925 116.841 118.700 0.111 0.000 2.463 42 N HA -0.038 4.702 4.740 -0.000 0.000 0.183 42 N C 1.205 176.747 175.510 0.052 0.000 1.064 42 N CA 0.573 53.657 53.050 0.057 0.000 0.879 42 N CB 0.215 38.724 38.487 0.037 0.000 1.148 42 N HN 0.188 nan 8.380 nan 0.000 0.451 43 N N 0.630 119.369 118.700 0.065 0.000 2.591 43 N HA -0.005 4.735 4.740 -0.000 0.000 0.200 43 N C 1.326 176.878 175.510 0.070 0.000 1.040 43 N CA 0.224 53.306 53.050 0.054 0.000 0.911 43 N CB -0.260 38.253 38.487 0.043 0.000 1.259 43 N HN 0.059 nan 8.380 nan 0.000 0.438 44 K N 1.436 121.889 120.400 0.089 0.000 1.969 44 K HA -0.072 4.248 4.320 -0.000 0.000 0.220 44 K C 0.643 177.356 176.600 0.188 0.000 1.040 44 K CA 0.204 56.556 56.287 0.108 0.000 0.981 44 K CB -0.969 31.583 32.500 0.087 0.000 0.746 44 K HN 0.209 nan 8.250 nan 0.000 0.444 45 F N 3.334 123.298 119.950 0.023 0.000 2.670 45 F HA -0.179 4.348 4.527 -0.000 0.000 0.325 45 F C 0.951 176.771 175.800 0.033 0.000 1.125 45 F CA -0.182 57.836 58.000 0.030 0.000 1.345 45 F CB 0.437 39.452 39.000 0.024 0.000 1.019 45 F HN 0.394 nan 8.300 nan 0.000 0.640 46 R N 3.022 123.421 120.500 -0.169 0.000 2.655 46 R HA -0.121 4.219 4.340 -0.000 0.000 0.266 46 R C -1.375 174.805 176.300 -0.200 0.000 0.981 46 R CA 0.180 56.124 56.100 -0.261 0.000 1.098 46 R CB -0.144 29.891 30.300 -0.441 0.000 0.928 46 R HN 0.547 nan 8.270 nan 0.000 0.425 47 N N 2.296 120.940 118.700 -0.093 0.000 2.762 47 N HA 0.271 5.011 4.740 -0.000 0.000 0.252 47 N C -2.536 172.954 175.510 -0.034 0.000 1.269 47 N CA -1.246 51.774 53.050 -0.050 0.000 0.799 47 N CB 1.590 40.071 38.487 -0.010 0.000 1.173 47 N HN 0.540 nan 8.380 nan 0.000 0.516 48 P HA 0.295 nan 4.420 nan 0.000 0.285 48 P C -0.474 176.830 177.300 0.006 0.000 1.448 48 P CA -0.347 62.749 63.100 -0.008 0.000 0.953 48 P CB 0.425 32.127 31.700 0.004 0.000 1.175 49 T N -0.362 114.195 114.554 0.005 0.000 2.849 49 T HA 0.225 4.575 4.350 -0.000 0.000 0.284 49 T C 0.602 175.309 174.700 0.011 0.000 1.004 49 T CA -0.719 61.388 62.100 0.011 0.000 1.021 49 T CB 0.821 69.697 68.868 0.012 0.000 1.013 49 T HN 0.099 nan 8.240 nan 0.000 0.527 50 V N 1.763 121.687 119.914 0.016 0.000 2.450 50 V HA 0.381 4.501 4.120 -0.000 0.000 0.281 50 V C 0.765 176.867 176.094 0.013 0.000 1.019 50 V CA -0.225 62.084 62.300 0.015 0.000 1.062 50 V CB -0.083 31.752 31.823 0.021 0.000 0.979 50 V HN 1.119 nan 8.190 nan 0.000 0.477 51 A N 7.798 130.618 122.820 -0.000 0.000 2.880 51 A HA 0.649 4.969 4.320 -0.000 0.000 0.328 51 A C -1.437 176.148 177.584 0.001 0.000 1.440 51 A CA -1.348 50.686 52.037 -0.004 0.000 1.068 51 A CB -0.577 18.406 19.000 -0.027 0.000 1.163 51 A HN 0.796 nan 8.150 nan 0.000 0.510 52 P HA 0.020 nan 4.420 nan 0.000 0.274 52 P C 0.865 178.177 177.300 0.021 0.000 1.209 52 P CA 1.062 64.188 63.100 0.044 0.000 0.790 52 P CB 0.554 32.275 31.700 0.035 0.000 0.834 53 T N -2.529 112.046 114.554 0.036 0.000 3.978 53 T HA -0.106 4.244 4.350 -0.000 0.000 0.312 53 T C 0.069 174.784 174.700 0.024 0.000 0.873 53 T CA 0.152 62.260 62.100 0.012 0.000 1.238 53 T CB -1.322 67.553 68.868 0.011 0.000 0.981 53 T HN 0.760 nan 8.240 nan 0.000 0.468 54 H N 3.474 122.532 119.070 -0.020 0.000 3.543 54 H HA 0.099 4.655 4.556 -0.000 0.000 0.187 54 H C -0.957 174.359 175.328 -0.019 0.000 0.717 54 H CA 1.850 57.890 56.048 -0.014 0.000 1.334 54 H CB -1.115 28.643 29.762 -0.007 0.000 1.522 54 H HN 0.586 nan 8.280 nan 0.000 0.584 55 D N 2.049 122.361 120.400 -0.145 0.000 2.862 55 D HA -0.096 4.544 4.640 -0.000 0.000 0.218 55 D C -0.367 175.847 176.300 -0.144 0.000 1.034 55 D CA 0.849 54.735 54.000 -0.191 0.000 0.797 55 D CB -1.493 39.098 40.800 -0.349 0.000 1.027 55 D HN 0.478 nan 8.370 nan 0.000 0.438 56 V N -3.341 116.516 119.914 -0.095 0.000 3.295 56 V HA 0.854 4.974 4.120 -0.000 0.000 0.313 56 V C 0.589 176.644 176.094 -0.066 0.000 1.742 56 V CA -0.202 62.044 62.300 -0.090 0.000 0.950 56 V CB 1.391 33.156 31.823 -0.096 0.000 0.975 56 V HN 0.408 nan 8.190 nan 0.000 0.486 57 T N -1.049 113.469 114.554 -0.059 0.000 1.830 57 T HA 0.178 4.528 4.350 -0.000 0.000 0.565 57 T C -0.420 174.248 174.700 -0.053 0.000 1.065 57 T CA 0.308 62.383 62.100 -0.041 0.000 3.025 57 T CB -1.220 67.628 68.868 -0.033 0.000 2.425 57 T HN 1.847 nan 8.240 nan 0.000 0.339 58 T N -1.010 113.520 114.554 -0.041 0.000 2.661 58 T HA 0.559 4.909 4.350 -0.000 0.000 0.305 58 T C -2.056 172.627 174.700 -0.030 0.000 1.535 58 T CA 0.637 62.707 62.100 -0.050 0.000 1.000 58 T CB 1.367 70.220 68.868 -0.025 0.000 1.811 58 T HN 1.000 nan 8.240 nan 0.000 0.471 59 D N 0.459 120.847 120.400 -0.021 0.000 3.325 59 D HA 0.006 4.646 4.640 -0.000 0.000 0.105 59 D C -0.254 176.045 176.300 -0.001 0.000 0.615 59 D CA 0.111 54.107 54.000 -0.007 0.000 0.812 59 D CB -0.448 40.348 40.800 -0.006 0.000 1.115 59 D HN 0.680 nan 8.370 nan 0.000 0.370 60 R N -1.155 119.347 120.500 0.004 0.000 3.288 60 R HA 0.812 5.152 4.340 -0.000 0.000 0.245 60 R C -0.368 175.953 176.300 0.035 0.000 1.436 60 R CA -0.751 55.361 56.100 0.020 0.000 1.036 60 R CB 0.193 30.508 30.300 0.025 0.000 1.500 60 R HN -0.097 nan 8.270 nan 0.000 0.493 61 S N 0.502 116.233 115.700 0.052 0.000 2.451 61 S HA 0.537 5.007 4.470 -0.000 0.000 0.301 61 S C -1.305 173.352 174.600 0.094 0.000 1.116 61 S CA -0.928 57.309 58.200 0.060 0.000 1.093 61 S CB 1.063 64.293 63.200 0.049 0.000 1.017 61 S HN 0.494 nan 8.310 nan 0.000 0.482 62 Q N 0.763 120.623 119.800 0.099 0.000 2.825 62 Q HA 0.354 4.694 4.340 -0.000 0.000 0.219 62 Q C -1.065 175.006 176.000 0.117 0.000 0.942 62 Q CA -0.601 55.293 55.803 0.151 0.000 1.147 62 Q CB 0.918 29.795 28.738 0.231 0.000 1.723 62 Q HN 0.483 nan 8.270 nan 0.000 0.541 63 R N 1.417 121.985 120.500 0.112 0.000 2.584 63 R HA 0.576 4.915 4.340 -0.000 0.000 0.253 63 R C -0.206 176.014 176.300 -0.134 0.000 1.251 63 R CA -0.402 55.708 56.100 0.016 0.000 1.129 63 R CB 0.560 30.877 30.300 0.028 0.000 1.239 63 R HN 0.760 nan 8.270 nan 0.000 0.595 64 L N 0.686 121.706 121.223 -0.339 0.000 3.132 64 L HA 0.283 4.623 4.340 -0.000 0.000 0.333 64 L C -1.357 175.207 176.870 -0.510 0.000 1.293 64 L CA -0.371 53.904 54.840 -0.941 0.000 0.809 64 L CB 1.090 42.690 42.059 -0.765 0.000 1.244 64 L HN 0.765 nan 8.230 nan 0.000 0.586 65 T N -0.977 113.473 114.554 -0.173 0.000 3.253 65 T HA 0.420 4.770 4.350 -0.000 0.000 0.398 65 T C -1.121 173.573 174.700 -0.010 0.000 1.770 65 T CA -0.639 61.442 62.100 -0.033 0.000 1.100 65 T CB 1.332 70.188 68.868 -0.020 0.000 1.663 65 T HN 0.032 nan 8.240 nan 0.000 0.482 66 L N 1.398 122.592 121.223 -0.048 0.000 2.543 66 L HA 0.550 4.890 4.340 -0.000 0.000 0.265 66 L C 0.430 177.085 176.870 -0.358 0.000 0.945 66 L CA -0.980 53.746 54.840 -0.189 0.000 0.869 66 L CB 2.582 44.459 42.059 -0.303 0.000 1.294 66 L HN 0.770 nan 8.230 nan 0.000 0.405 67 R N 2.332 122.643 120.500 -0.315 0.000 3.255 67 R HA 0.426 4.766 4.340 -0.000 0.000 0.268 67 R C -1.226 174.790 176.300 -0.473 0.000 1.121 67 R CA 0.678 56.465 56.100 -0.522 0.000 1.133 67 R CB 0.524 30.740 30.300 -0.139 0.000 1.038 67 R HN 0.502 nan 8.270 nan 0.000 0.523 68 F N -1.246 118.500 119.950 -0.340 0.000 2.804 68 F HA 0.360 4.887 4.527 -0.000 0.000 0.320 68 F C -1.411 174.324 175.800 -0.109 0.000 1.135 68 F CA -1.070 56.840 58.000 -0.151 0.000 0.947 68 F CB 1.162 40.123 39.000 -0.064 0.000 1.260 68 F HN 0.293 nan 8.300 nan 0.000 0.447 69 I N 4.479 125.135 120.570 0.144 0.000 2.649 69 I HA 0.314 4.484 4.170 -0.000 0.000 0.289 69 I C -2.342 173.590 176.117 -0.308 0.000 1.222 69 I CA -1.745 59.474 61.300 -0.133 0.000 1.046 69 I CB 2.645 40.621 38.000 -0.041 0.000 1.272 69 I HN 0.227 nan 8.210 nan 0.000 0.425 70 P HA -0.014 nan 4.420 nan 0.000 0.279 70 P C 0.475 177.612 177.300 -0.273 0.000 1.278 70 P CA -0.105 62.700 63.100 -0.492 0.000 0.846 70 P CB 0.470 31.787 31.700 -0.639 0.000 1.218 71 V N -2.940 116.845 119.914 -0.216 0.000 3.151 71 V HA 0.115 4.235 4.120 -0.000 0.000 0.241 71 V C 0.431 176.437 176.094 -0.146 0.000 1.173 71 V CA 0.764 62.980 62.300 -0.141 0.000 1.154 71 V CB -0.882 30.881 31.823 -0.099 0.000 0.898 71 V HN 0.338 nan 8.190 nan 0.000 0.473 72 D N 1.240 121.532 120.400 -0.181 0.000 2.389 72 D HA 0.292 4.932 4.640 -0.000 0.000 0.247 72 D C 0.511 176.671 176.300 -0.234 0.000 1.128 72 D CA -0.034 53.852 54.000 -0.191 0.000 0.884 72 D CB 0.619 41.297 40.800 -0.204 0.000 1.194 72 D HN 0.198 nan 8.370 nan 0.000 0.441 73 R N 3.002 123.384 120.500 -0.197 0.000 2.666 73 R HA 0.182 4.522 4.340 -0.000 0.000 0.275 73 R C -0.991 175.169 176.300 -0.233 0.000 1.266 73 R CA -0.447 55.540 56.100 -0.188 0.000 1.401 73 R CB 0.079 30.313 30.300 -0.110 0.000 1.145 73 R HN 0.427 nan 8.270 nan 0.000 0.581 74 E N 2.540 122.497 120.200 -0.405 0.000 2.218 74 E HA 0.171 4.521 4.350 -0.000 0.000 0.263 74 E C -1.455 174.804 176.600 -0.569 0.000 0.879 74 E CA -0.849 55.298 56.400 -0.423 0.000 0.762 74 E CB 2.198 31.647 29.700 -0.419 0.000 1.166 74 E HN 0.331 nan 8.360 nan 0.000 0.415 75 D N 3.263 123.527 120.400 -0.226 0.000 2.358 75 D HA 0.172 4.812 4.640 -0.000 0.000 0.253 75 D C -0.477 175.827 176.300 0.006 0.000 1.288 75 D CA -0.113 53.892 54.000 0.008 0.000 0.950 75 D CB 1.311 42.210 40.800 0.166 0.000 1.197 75 D HN 0.396 nan 8.370 nan 0.000 0.550 76 T N 0.155 114.686 114.554 -0.039 0.000 3.030 76 T HA 0.760 5.110 4.350 -0.000 0.000 0.274 76 T C 0.949 175.631 174.700 -0.030 0.000 1.187 76 T CA -0.021 62.016 62.100 -0.105 0.000 0.949 76 T CB 0.703 69.342 68.868 -0.382 0.000 2.268 76 T HN 0.236 nan 8.240 nan 0.000 0.554 77 A N -0.005 122.745 122.820 -0.117 0.000 2.113 77 A HA 0.345 4.665 4.320 -0.000 0.000 0.211 77 A C 1.850 179.484 177.584 0.083 0.000 2.359 77 A CA 0.228 52.307 52.037 0.070 0.000 1.274 77 A CB -1.388 17.733 19.000 0.201 0.000 1.160 77 A HN 0.889 nan 8.150 nan 0.000 0.585 78 Y N 1.770 122.233 120.300 0.272 0.000 2.588 78 Y HA 0.024 4.574 4.550 -0.000 0.000 0.279 78 Y C 0.810 176.871 175.900 0.270 0.000 1.171 78 Y CA 0.720 58.997 58.100 0.295 0.000 1.425 78 Y CB -0.811 37.829 38.460 0.299 0.000 0.960 78 Y HN 0.392 nan 8.280 nan 0.000 0.585 79 S N -2.355 113.274 115.700 -0.118 0.000 3.930 79 S HA 0.405 4.875 4.470 -0.000 0.000 0.291 79 S C -1.441 173.203 174.600 0.073 0.000 1.078 79 S CA -0.436 57.795 58.200 0.052 0.000 1.259 79 S CB 1.087 64.351 63.200 0.107 0.000 1.724 79 S HN 0.486 nan 8.310 nan 0.000 0.513 80 Y N 1.061 121.255 120.300 -0.177 0.000 1.964 80 Y HA 0.384 4.934 4.550 -0.000 0.000 0.309 80 Y C -0.790 174.924 175.900 -0.310 0.000 1.147 80 Y CA -0.409 57.504 58.100 -0.311 0.000 1.806 80 Y CB -0.069 38.000 38.460 -0.651 0.000 1.239 80 Y HN 0.796 nan 8.280 nan 0.000 0.393 81 K N 2.852 123.019 120.400 -0.388 0.000 2.397 81 K HA 0.709 5.029 4.320 -0.000 0.000 0.265 81 K C -0.007 176.288 176.600 -0.509 0.000 0.982 81 K CA 0.953 57.043 56.287 -0.328 0.000 0.931 81 K CB 0.530 32.883 32.500 -0.245 0.000 0.943 81 K HN 0.646 nan 8.250 nan 0.000 0.501 82 A N 2.004 124.620 122.820 -0.340 0.000 2.593 82 A HA 0.776 5.096 4.320 -0.000 0.000 0.304 82 A C -1.234 176.208 177.584 -0.236 0.000 1.233 82 A CA -0.601 51.208 52.037 -0.380 0.000 0.661 82 A CB 1.458 20.178 19.000 -0.468 0.000 1.338 82 A HN 0.672 nan 8.150 nan 0.000 0.495 83 R N -0.659 119.686 120.500 -0.258 0.000 2.524 83 R HA 0.178 4.518 4.340 -0.000 0.000 0.163 83 R C -0.697 175.561 176.300 -0.070 0.000 1.269 83 R CA -0.139 55.914 56.100 -0.079 0.000 0.847 83 R CB -1.104 29.151 30.300 -0.075 0.000 1.381 83 R HN 0.593 nan 8.270 nan 0.000 0.552 84 F N 0.860 120.643 119.950 -0.278 0.000 2.077 84 F HA -0.310 4.217 4.527 -0.000 0.000 0.292 84 F C 1.158 176.721 175.800 -0.395 0.000 1.120 84 F CA 2.244 60.013 58.000 -0.385 0.000 1.246 84 F CB -0.531 38.258 39.000 -0.351 0.000 0.941 84 F HN 0.435 nan 8.300 nan 0.000 0.514 85 T N -1.501 113.108 114.554 0.091 0.000 2.935 85 T HA 0.308 4.658 4.350 -0.000 0.000 0.291 85 T C -1.372 173.331 174.700 0.005 0.000 1.621 85 T CA -0.656 61.444 62.100 0.001 0.000 1.099 85 T CB -0.336 68.485 68.868 -0.078 0.000 2.192 85 T HN 0.356 nan 8.240 nan 0.000 0.523 86 L N 0.016 121.248 121.223 0.016 0.000 2.765 86 L HA 1.023 5.363 4.340 -0.000 0.000 0.263 86 L C -0.639 176.254 176.870 0.038 0.000 1.068 86 L CA 0.444 55.292 54.840 0.012 0.000 0.903 86 L CB 1.251 43.232 42.059 -0.130 0.000 1.512 86 L HN 1.574 nan 8.230 nan 0.000 0.404 87 A N 0.103 122.949 122.820 0.043 0.000 4.978 87 A HA 0.908 5.228 4.320 -0.000 0.000 0.137 87 A C -1.325 176.271 177.584 0.020 0.000 0.956 87 A CA 0.311 52.358 52.037 0.016 0.000 1.577 87 A CB 0.212 19.228 19.000 0.026 0.000 2.444 87 A HN 1.401 nan 8.150 nan 0.000 1.089 88 V N -2.010 117.901 119.914 -0.005 0.000 3.314 88 V HA 0.641 4.761 4.120 -0.000 0.000 0.285 88 V C -1.000 175.054 176.094 -0.068 0.000 1.630 88 V CA 0.198 62.487 62.300 -0.019 0.000 1.054 88 V CB 2.117 33.947 31.823 0.012 0.000 1.191 88 V HN 2.140 nan 8.190 nan 0.000 0.472 89 G N 0.965 109.703 108.800 -0.102 0.000 2.741 89 G HA2 0.665 4.625 3.960 -0.000 0.000 0.293 89 G HA3 0.665 4.625 3.960 -0.000 0.000 0.293 89 G C -2.146 172.668 174.900 -0.143 0.000 1.457 89 G CA -0.469 44.539 45.100 -0.154 0.000 1.098 89 G HN 0.611 nan 8.290 nan 0.000 0.536 90 D N 0.627 120.944 120.400 -0.139 0.000 2.233 90 D HA 0.473 5.113 4.640 -0.000 0.000 0.240 90 D C 0.478 176.664 176.300 -0.189 0.000 1.074 90 D CA -0.374 53.551 54.000 -0.125 0.000 0.838 90 D CB 1.442 42.184 40.800 -0.097 0.000 1.124 90 D HN 0.417 nan 8.370 nan 0.000 0.475 91 N N 0.852 119.468 118.700 -0.140 0.000 3.003 91 N HA -0.166 4.574 4.740 -0.000 0.000 0.237 91 N C -0.986 174.490 175.510 -0.057 0.000 0.969 91 N CA 0.650 53.617 53.050 -0.139 0.000 0.941 91 N CB -0.481 37.733 38.487 -0.455 0.000 1.098 91 N HN 0.567 nan 8.380 nan 0.000 0.563 92 R N -0.987 119.455 120.500 -0.097 0.000 2.633 92 R HA 0.699 5.039 4.340 -0.000 0.000 0.255 92 R C -1.328 174.824 176.300 -0.246 0.000 1.106 92 R CA -0.118 55.912 56.100 -0.118 0.000 0.959 92 R CB 0.521 30.705 30.300 -0.194 0.000 1.259 92 R HN 0.210 nan 8.270 nan 0.000 0.453 93 V N -0.902 118.903 119.914 -0.181 0.000 3.256 93 V HA 0.746 4.866 4.120 -0.000 0.000 0.292 93 V C -1.435 174.703 176.094 0.073 0.000 1.736 93 V CA -0.623 61.594 62.300 -0.138 0.000 1.009 93 V CB 1.246 33.035 31.823 -0.056 0.000 1.130 93 V HN 1.027 nan 8.190 nan 0.000 0.484 94 L N -1.055 120.224 121.223 0.094 0.000 2.765 94 L HA 0.750 5.090 4.340 -0.000 0.000 0.263 94 L C -0.477 176.457 176.870 0.107 0.000 1.068 94 L CA -0.218 54.714 54.840 0.154 0.000 0.903 94 L CB 1.926 44.117 42.059 0.221 0.000 1.512 94 L HN 0.945 nan 8.230 nan 0.000 0.404 95 D N 0.517 120.980 120.400 0.106 0.000 2.273 95 D HA 0.205 4.845 4.640 -0.000 0.000 0.247 95 D C 0.223 176.565 176.300 0.069 0.000 1.313 95 D CA 0.629 54.676 54.000 0.079 0.000 0.974 95 D CB 0.560 41.400 40.800 0.066 0.000 1.157 95 D HN 0.728 nan 8.370 nan 0.000 0.533 96 M N -0.865 118.767 119.600 0.053 0.000 2.410 96 M HA 0.343 4.823 4.480 -0.000 0.000 0.376 96 M C 0.268 176.589 176.300 0.035 0.000 1.051 96 M CA -0.332 54.999 55.300 0.051 0.000 0.949 96 M CB 1.012 33.640 32.600 0.046 0.000 1.577 96 M HN 0.122 nan 8.290 nan 0.000 0.560 97 A N 1.268 124.103 122.820 0.024 0.000 2.348 97 A HA 0.367 4.687 4.320 -0.000 0.000 0.224 97 A C 0.822 178.418 177.584 0.019 0.000 1.227 97 A CA 0.101 52.136 52.037 -0.004 0.000 0.885 97 A CB 0.022 19.010 19.000 -0.020 0.000 0.933 97 A HN 0.442 nan 8.150 nan 0.000 0.506 98 S N 0.232 115.971 115.700 0.065 0.000 2.060 98 S HA 0.533 5.003 4.470 -0.000 0.000 0.156 98 S C -0.242 174.464 174.600 0.176 0.000 1.690 98 S CA 0.158 58.426 58.200 0.112 0.000 1.238 98 S CB -0.029 63.227 63.200 0.093 0.000 1.150 98 S HN 0.721 nan 8.310 nan 0.000 0.437 99 T N -0.325 114.365 114.554 0.225 0.000 2.711 99 T HA 0.788 5.138 4.350 -0.000 0.000 0.302 99 T C -1.843 173.128 174.700 0.451 0.000 1.373 99 T CA -0.761 61.516 62.100 0.295 0.000 1.000 99 T CB 1.271 70.292 68.868 0.256 0.000 1.483 99 T HN 1.304 nan 8.240 nan 0.000 0.499 100 Y N -0.916 119.628 120.300 0.406 0.000 2.661 100 Y HA 0.633 5.183 4.550 -0.000 0.000 0.339 100 Y C -1.710 174.662 175.900 0.787 0.000 1.186 100 Y CA -1.708 56.618 58.100 0.376 0.000 1.137 100 Y CB 0.294 38.910 38.460 0.261 0.000 1.354 100 Y HN 0.452 nan 8.280 nan 0.000 0.469 101 F N 2.330 122.612 119.950 0.554 0.000 2.986 101 F HA 0.207 4.734 4.527 -0.000 0.000 0.297 101 F C 0.854 176.978 175.800 0.539 0.000 1.210 101 F CA -0.964 57.338 58.000 0.504 0.000 1.346 101 F CB -0.788 38.461 39.000 0.416 0.000 1.007 101 F HN 0.824 nan 8.300 nan 0.000 0.512 102 D N 2.202 123.150 120.400 0.912 0.000 6.610 102 D HA -0.246 4.394 4.640 -0.000 0.000 0.176 102 D C 0.218 176.782 176.300 0.441 0.000 1.245 102 D CA 0.264 54.631 54.000 0.612 0.000 0.811 102 D CB 0.129 41.314 40.800 0.642 0.000 1.423 102 D HN 0.181 nan 8.370 nan 0.000 0.787 103 I N 4.313 125.095 120.570 0.353 0.000 2.349 103 I HA -0.023 4.147 4.170 -0.000 0.000 0.302 103 I C 1.035 177.327 176.117 0.292 0.000 1.180 103 I CA 0.139 61.627 61.300 0.313 0.000 1.405 103 I CB -0.380 37.794 38.000 0.290 0.000 1.474 103 I HN 0.099 nan 8.210 nan 0.000 0.632 104 R N 4.161 124.794 120.500 0.222 0.000 2.608 104 R HA 0.285 4.625 4.340 -0.000 0.000 0.277 104 R C 0.838 177.092 176.300 -0.076 0.000 1.341 104 R CA -0.184 55.998 56.100 0.136 0.000 1.199 104 R CB 0.581 30.980 30.300 0.165 0.000 1.156 104 R HN 0.657 nan 8.270 nan 0.000 0.558 105 G N 0.583 109.160 108.800 -0.371 0.000 3.019 105 G HA2 0.627 4.587 3.960 -0.000 0.000 0.152 105 G HA3 0.627 4.587 3.960 -0.000 0.000 0.152 105 G C -0.556 173.844 174.900 -0.833 0.000 1.320 105 G CA -0.233 44.526 45.100 -0.569 0.000 1.013 105 G HN 0.294 nan 8.290 nan 0.000 0.593 106 V N -1.213 118.249 119.914 -0.754 0.000 3.278 106 V HA 0.572 4.692 4.120 -0.000 0.000 0.276 106 V C -1.230 174.768 176.094 -0.161 0.000 1.848 106 V CA 0.059 62.107 62.300 -0.420 0.000 0.998 106 V CB 1.561 33.259 31.823 -0.208 0.000 1.233 106 V HN 1.569 nan 8.190 nan 0.000 0.482 107 L N -0.582 120.646 121.223 0.009 0.000 3.141 107 L HA 0.583 4.923 4.340 -0.000 0.000 0.305 107 L C -2.424 174.382 176.870 -0.107 0.000 0.875 107 L CA -0.583 54.258 54.840 0.001 0.000 1.073 107 L CB 1.683 43.734 42.059 -0.014 0.000 1.674 107 L HN 0.676 nan 8.230 nan 0.000 0.362 108 D N 0.233 120.503 120.400 -0.217 0.000 2.454 108 D HA 0.484 5.124 4.640 -0.000 0.000 0.247 108 D C -0.172 175.969 176.300 -0.265 0.000 1.129 108 D CA -0.339 53.392 54.000 -0.449 0.000 0.877 108 D CB 1.151 41.756 40.800 -0.324 0.000 1.082 108 D HN 0.597 nan 8.370 nan 0.000 0.537 109 R N 1.745 122.090 120.500 -0.258 0.000 2.596 109 R HA 0.378 4.718 4.340 -0.000 0.000 0.369 109 R C 1.069 177.297 176.300 -0.120 0.000 1.042 109 R CA -0.524 55.464 56.100 -0.187 0.000 1.120 109 R CB 0.838 31.008 30.300 -0.218 0.000 1.353 109 R HN 0.218 nan 8.270 nan 0.000 0.564 110 G N 1.897 110.637 108.800 -0.100 0.000 3.575 110 G HA2 0.120 4.080 3.960 -0.000 0.000 0.273 110 G HA3 0.120 4.080 3.960 -0.000 0.000 0.273 110 G C -1.371 173.538 174.900 0.015 0.000 1.053 110 G CA -0.349 44.754 45.100 0.005 0.000 0.803 110 G HN 0.167 nan 8.290 nan 0.000 0.528 111 P HA 0.182 nan 4.420 nan 0.000 0.268 111 P C 0.318 177.705 177.300 0.144 0.000 1.329 111 P CA 0.552 63.676 63.100 0.041 0.000 0.899 111 P CB 0.643 32.344 31.700 0.002 0.000 1.378 112 T N -3.746 110.916 114.554 0.179 0.000 4.487 112 T HA 0.386 4.736 4.350 -0.000 0.000 0.232 112 T C -1.162 173.714 174.700 0.293 0.000 0.941 112 T CA -0.473 61.807 62.100 0.299 0.000 1.315 112 T CB -1.179 67.716 68.868 0.044 0.000 0.851 112 T HN -0.154 nan 8.240 nan 0.000 0.559 113 F N 1.265 121.238 119.950 0.039 0.000 2.643 113 F HA 0.851 5.378 4.527 -0.000 0.000 0.314 113 F C -1.613 174.086 175.800 -0.168 0.000 1.096 113 F CA -1.515 56.437 58.000 -0.081 0.000 0.953 113 F CB 2.372 41.315 39.000 -0.095 0.000 1.345 113 F HN 0.387 nan 8.300 nan 0.000 0.468 114 K N 4.300 123.953 120.400 -1.245 0.000 2.670 114 K HA 0.456 4.776 4.320 -0.000 0.000 0.274 114 K C -2.889 172.684 176.600 -1.712 0.000 1.068 114 K CA -1.134 54.369 56.287 -1.307 0.000 0.967 114 K CB 1.888 33.840 32.500 -0.913 0.000 1.297 114 K HN 0.164 nan 8.250 nan 0.000 0.477 115 P HA 0.077 nan 4.420 nan 0.000 0.249 115 P C -0.708 176.481 177.300 -0.184 0.000 1.229 115 P CA 0.465 63.165 63.100 -0.666 0.000 0.788 115 P CB -0.202 31.350 31.700 -0.247 0.000 1.072 116 Y N -3.500 116.653 120.300 -0.245 0.000 3.288 116 Y HA 0.740 5.290 4.550 -0.000 0.000 0.283 116 Y C 1.074 176.916 175.900 -0.098 0.000 1.866 116 Y CA -0.717 57.318 58.100 -0.109 0.000 0.808 116 Y CB -0.339 38.056 38.460 -0.108 0.000 1.331 116 Y HN -0.300 nan 8.280 nan 0.000 0.664 117 S N -0.481 115.411 115.700 0.321 0.000 3.078 117 S HA 0.582 5.052 4.470 -0.000 0.000 0.248 117 S C -0.160 174.574 174.600 0.224 0.000 0.857 117 S CA 0.202 58.489 58.200 0.146 0.000 1.139 117 S CB -0.290 62.995 63.200 0.142 0.000 1.186 117 S HN 1.391 nan 8.310 nan 0.000 0.567 118 G N 0.435 109.496 108.800 0.434 0.000 2.718 118 G HA2 0.353 4.313 3.960 -0.000 0.000 0.123 118 G HA3 0.353 4.313 3.960 -0.000 0.000 0.123 118 G C -0.326 174.801 174.900 0.379 0.000 1.042 118 G CA 0.602 45.882 45.100 0.299 0.000 1.397 118 G HN 0.659 nan 8.290 nan 0.000 0.611 119 T N -1.430 113.181 114.554 0.096 0.000 2.762 119 T HA 0.643 4.993 4.350 -0.000 0.000 0.301 119 T C -0.348 174.084 174.700 -0.447 0.000 1.299 119 T CA 0.780 62.818 62.100 -0.104 0.000 1.005 119 T CB 1.375 70.290 68.868 0.079 0.000 1.377 119 T HN 1.565 nan 8.240 nan 0.000 0.504 120 A N 0.545 122.972 122.820 -0.655 0.000 2.425 120 A HA 0.362 4.681 4.320 -0.000 0.000 0.201 120 A C -0.485 176.596 177.584 -0.838 0.000 1.431 120 A CA 0.027 51.583 52.037 -0.802 0.000 1.066 120 A CB 0.206 18.593 19.000 -1.023 0.000 1.318 120 A HN 0.675 nan 8.150 nan 0.000 0.534 121 Y N 2.097 122.307 120.300 -0.150 0.000 2.928 121 Y HA 0.436 4.986 4.550 -0.000 0.000 0.390 121 Y C 0.238 176.109 175.900 -0.049 0.000 1.101 121 Y CA -0.936 57.091 58.100 -0.123 0.000 1.777 121 Y CB -0.643 37.734 38.460 -0.139 0.000 1.720 121 Y HN 0.351 nan 8.280 nan 0.000 0.484 122 N N -0.110 118.594 118.700 0.006 0.000 3.848 122 N HA -0.105 4.635 4.740 -0.000 0.000 0.271 122 N C 0.325 175.951 175.510 0.194 0.000 0.986 122 N CA 0.507 53.617 53.050 0.099 0.000 0.684 122 N CB -0.675 37.913 38.487 0.167 0.000 1.328 122 N HN 0.528 nan 8.380 nan 0.000 0.605 123 A N 0.664 123.529 122.820 0.075 0.000 2.021 123 A HA 0.127 4.447 4.320 -0.000 0.000 0.216 123 A C 1.843 179.451 177.584 0.041 0.000 1.163 123 A CA 0.818 52.907 52.037 0.086 0.000 0.676 123 A CB 0.134 19.130 19.000 -0.007 0.000 0.818 123 A HN 0.438 nan 8.150 nan 0.000 0.453 124 L N -0.163 121.069 121.223 0.015 0.000 2.607 124 L HA 0.297 4.637 4.340 -0.000 0.000 0.228 124 L C 1.169 178.034 176.870 -0.009 0.000 1.123 124 L CA -0.059 54.776 54.840 -0.007 0.000 0.890 124 L CB -0.162 41.888 42.059 -0.016 0.000 1.103 124 L HN 0.281 nan 8.230 nan 0.000 0.468 125 A N 1.522 124.349 122.820 0.012 0.000 2.565 125 A HA 0.152 4.472 4.320 -0.000 0.000 0.237 125 A C -1.376 176.183 177.584 -0.042 0.000 1.053 125 A CA -0.732 51.310 52.037 0.008 0.000 0.755 125 A CB -0.394 18.648 19.000 0.070 0.000 0.980 125 A HN 0.074 nan 8.150 nan 0.000 0.506 126 P HA -0.030 nan 4.420 nan 0.000 0.288 126 P C 0.653 177.911 177.300 -0.071 0.000 1.448 126 P CA 0.358 63.430 63.100 -0.046 0.000 0.764 126 P CB -0.277 31.407 31.700 -0.027 0.000 1.472 127 K N -1.412 118.912 120.400 -0.127 0.000 9.558 127 K HA -0.229 4.091 4.320 -0.000 0.000 0.506 127 K C 1.360 177.886 176.600 -0.124 0.000 0.377 127 K CA 2.079 58.240 56.287 -0.210 0.000 1.944 127 K CB -2.001 30.380 32.500 -0.198 0.000 0.745 127 K HN 0.422 nan 8.250 nan 0.000 1.070 128 G N -0.751 108.015 108.800 -0.058 0.000 3.959 128 G HA2 0.575 4.535 3.960 -0.000 0.000 0.298 128 G HA3 0.575 4.535 3.960 -0.000 0.000 0.298 128 G C -0.559 174.349 174.900 0.013 0.000 1.211 128 G CA 0.297 45.389 45.100 -0.013 0.000 1.001 128 G HN 0.486 nan 8.290 nan 0.000 0.561 129 A N 1.204 124.035 122.820 0.018 0.000 2.304 129 A HA 0.894 5.214 4.320 -0.000 0.000 0.323 129 A C -2.237 175.381 177.584 0.057 0.000 1.195 129 A CA -1.430 50.628 52.037 0.034 0.000 0.826 129 A CB 2.210 21.224 19.000 0.022 0.000 1.184 129 A HN 0.213 nan 8.150 nan 0.000 0.496 130 P HA 0.446 nan 4.420 nan 0.000 0.317 130 P C -0.919 176.428 177.300 0.078 0.000 1.307 130 P CA -0.630 62.523 63.100 0.088 0.000 0.749 130 P CB 0.721 32.489 31.700 0.113 0.000 1.377 131 N N -1.682 117.068 118.700 0.083 0.000 2.235 131 N HA 0.343 5.083 4.740 -0.000 0.000 0.293 131 N C -2.605 172.946 175.510 0.068 0.000 1.083 131 N CA -1.992 51.097 53.050 0.064 0.000 0.801 131 N CB 0.266 38.786 38.487 0.055 0.000 1.559 131 N HN 0.135 nan 8.380 nan 0.000 0.472 132 P HA -0.205 nan 4.420 nan 0.000 0.026 132 P C 0.037 177.363 177.300 0.043 0.000 0.537 132 P CA 0.322 63.442 63.100 0.032 0.000 1.025 132 P CB -1.012 30.690 31.700 0.004 0.000 1.852 133 C N 0.386 119.740 119.300 0.089 0.000 2.943 133 C HA 0.179 4.639 4.460 -0.000 0.000 0.296 133 C C 0.930 175.954 174.990 0.057 0.000 1.361 133 C CA -0.086 59.014 59.018 0.137 0.000 1.846 133 C CB -0.909 26.990 27.740 0.264 0.000 2.181 133 C HN 0.467 nan 8.230 nan 0.000 0.691 134 E N -0.966 119.305 120.200 0.117 0.000 3.397 134 E HA 0.380 4.730 4.350 -0.000 0.000 0.380 134 E C -1.058 175.631 176.600 0.148 0.000 0.989 134 E CA -0.086 56.309 56.400 -0.007 0.000 0.783 134 E CB 0.462 30.154 29.700 -0.014 0.000 1.334 134 E HN 0.792 nan 8.360 nan 0.000 0.457 135 W N 2.160 123.435 121.300 -0.040 0.000 3.069 135 W HA 0.725 5.385 4.660 -0.000 0.000 0.390 135 W C -0.138 176.315 176.519 -0.110 0.000 1.130 135 W CA -0.726 56.593 57.345 -0.044 0.000 1.138 135 W CB -0.157 29.299 29.460 -0.006 0.000 1.497 135 W HN 0.304 nan 8.180 nan 0.000 0.600 167 H N 0.233 119.078 119.070 -0.375 0.000 3.042 167 H HA 0.726 5.282 4.556 -0.000 0.000 0.345 167 H C -0.334 174.112 175.328 -1.469 0.000 1.052 167 H CA -1.208 54.442 56.048 -0.663 0.000 1.311 167 H CB 2.051 31.599 29.762 -0.357 0.000 1.810 167 H HN 0.266 nan 8.280 nan 0.000 0.505 168 V N -1.210 118.029 119.914 -1.124 0.000 3.333 168 V HA 0.766 4.886 4.120 -0.000 0.000 0.312 168 V C -1.721 173.803 176.094 -0.951 0.000 1.520 168 V CA -0.713 60.873 62.300 -1.190 0.000 0.973 168 V CB 2.157 33.607 31.823 -0.621 0.000 1.061 168 V HN 0.511 nan 8.190 nan 0.000 0.483 169 F N -1.318 118.463 119.950 -0.281 0.000 2.799 169 F HA 0.857 5.384 4.527 -0.000 0.000 0.316 169 F C 0.369 176.107 175.800 -0.103 0.000 1.155 169 F CA 0.101 58.018 58.000 -0.137 0.000 0.916 169 F CB 1.346 40.317 39.000 -0.048 0.000 1.294 169 F HN 1.249 nan 8.300 nan 0.000 0.447 170 G N 0.341 109.227 108.800 0.143 0.000 2.435 170 G HA2 0.556 4.516 3.960 -0.000 0.000 0.296 170 G HA3 0.556 4.516 3.960 -0.000 0.000 0.296 170 G C -2.073 172.815 174.900 -0.020 0.000 1.240 170 G CA -0.448 44.669 45.100 0.027 0.000 0.872 170 G HN 0.573 nan 8.290 nan 0.000 0.480 171 Q N -1.509 118.271 119.800 -0.035 0.000 2.687 171 Q HA 0.631 4.971 4.340 -0.000 0.000 0.295 171 Q C -1.877 174.099 176.000 -0.040 0.000 0.920 171 Q CA -0.302 55.476 55.803 -0.041 0.000 0.766 171 Q CB 2.354 31.073 28.738 -0.031 0.000 1.467 171 Q HN 1.843 nan 8.270 nan 0.000 0.415 172 A N 1.420 124.221 122.820 -0.032 0.000 2.582 172 A HA 0.695 5.015 4.320 -0.000 0.000 0.297 172 A C -2.685 174.902 177.584 0.005 0.000 1.059 172 A CA -0.659 51.367 52.037 -0.018 0.000 0.705 172 A CB 1.244 20.219 19.000 -0.041 0.000 1.279 172 A HN 0.536 nan 8.150 nan 0.000 0.404 173 P HA 0.308 nan 4.420 nan 0.000 0.299 173 P C 0.868 178.237 177.300 0.115 0.000 1.363 173 P CA -0.319 62.822 63.100 0.067 0.000 0.837 173 P CB -0.388 31.359 31.700 0.078 0.000 2.115 174 Y N 0.753 121.055 120.300 0.002 0.000 3.274 174 Y HA -0.244 4.306 4.550 -0.000 0.000 0.359 174 Y C 0.372 176.286 175.900 0.023 0.000 1.212 174 Y CA 1.640 59.747 58.100 0.012 0.000 1.385 174 Y CB -0.044 38.423 38.460 0.013 0.000 1.172 174 Y HN 0.391 nan 8.280 nan 0.000 0.635 175 S N 0.406 115.687 115.700 -0.698 0.000 2.488 175 S HA 0.372 4.842 4.470 -0.000 0.000 0.151 175 S C 0.310 174.614 174.600 -0.492 0.000 1.401 175 S CA -0.496 57.446 58.200 -0.430 0.000 1.221 175 S CB 0.563 63.579 63.200 -0.307 0.000 1.407 175 S HN 1.146 nan 8.310 nan 0.000 0.406 176 G N 3.047 111.788 108.800 -0.098 0.000 2.806 176 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.214 176 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.214 176 G C 0.971 175.877 174.900 0.009 0.000 1.331 176 G CA 1.964 47.117 45.100 0.090 0.000 0.807 176 G HN 0.928 nan 8.290 nan 0.000 0.644 177 I N -3.781 116.810 120.570 0.035 0.000 3.918 177 I HA 0.175 4.345 4.170 -0.000 0.000 0.272 177 I C -0.392 175.732 176.117 0.012 0.000 1.070 177 I CA -0.178 61.141 61.300 0.032 0.000 1.366 177 I CB -0.337 37.678 38.000 0.025 0.000 1.983 177 I HN 0.105 nan 8.210 nan 0.000 0.392 178 N N 1.224 119.893 118.700 -0.051 0.000 2.701 178 N HA 0.762 5.502 4.740 -0.000 0.000 0.290 178 N C -1.149 174.299 175.510 -0.103 0.000 1.338 178 N CA -0.328 52.587 53.050 -0.225 0.000 0.799 178 N CB 3.018 41.404 38.487 -0.167 0.000 1.491 178 N HN 0.079 nan 8.380 nan 0.000 0.540 179 I N 0.172 120.663 120.570 -0.131 0.000 2.619 179 I HA 0.342 4.512 4.170 -0.000 0.000 0.292 179 I C -0.425 175.723 176.117 0.052 0.000 1.100 179 I CA -0.269 61.047 61.300 0.027 0.000 1.043 179 I CB 2.358 40.413 38.000 0.092 0.000 1.239 179 I HN 0.286 nan 8.210 nan 0.000 0.420 180 T N 3.418 118.030 114.554 0.097 0.000 2.883 180 T HA 0.333 4.683 4.350 -0.000 0.000 0.284 180 T C 0.735 175.517 174.700 0.137 0.000 1.041 180 T CA -0.668 61.489 62.100 0.095 0.000 1.007 180 T CB 2.019 70.928 68.868 0.068 0.000 1.220 180 T HN 0.331 nan 8.240 nan 0.000 0.552 181 K N 1.204 121.662 120.400 0.096 0.000 1.985 181 K HA 0.047 4.367 4.320 -0.000 0.000 0.210 181 K C 1.827 178.482 176.600 0.092 0.000 1.047 181 K CA 1.412 57.759 56.287 0.100 0.000 0.932 181 K CB -0.258 32.263 32.500 0.035 0.000 0.716 181 K HN 0.498 nan 8.250 nan 0.000 0.439 182 E N 0.224 120.434 120.200 0.016 0.000 2.533 182 E HA 0.047 4.397 4.350 -0.000 0.000 0.201 182 E C 0.244 176.893 176.600 0.082 0.000 1.097 182 E CA 0.504 56.890 56.400 -0.023 0.000 0.887 182 E CB -0.135 29.406 29.700 -0.265 0.000 0.855 182 E HN 0.394 nan 8.360 nan 0.000 0.540 183 G N 1.181 110.072 108.800 0.152 0.000 2.357 183 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.643 183 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.643 183 G C -0.151 174.866 174.900 0.195 0.000 1.358 183 G CA -0.547 44.681 45.100 0.213 0.000 0.986 183 G HN 0.189 nan 8.290 nan 0.000 0.620 184 I N -1.317 119.386 120.570 0.222 0.000 3.624 184 I HA 0.591 4.761 4.170 -0.000 0.000 0.226 184 I C 0.270 176.459 176.117 0.119 0.000 1.359 184 I CA 0.356 61.751 61.300 0.158 0.000 1.076 184 I CB 0.388 38.493 38.000 0.175 0.000 1.508 184 I HN 0.829 nan 8.210 nan 0.000 0.814 185 Q N 0.930 120.787 119.800 0.095 0.000 2.472 185 Q HA 0.437 4.777 4.340 -0.000 0.000 0.281 185 Q C -0.892 175.149 176.000 0.069 0.000 0.997 185 Q CA -0.661 55.189 55.803 0.077 0.000 0.828 185 Q CB 2.394 31.172 28.738 0.067 0.000 1.443 185 Q HN 0.747 nan 8.270 nan 0.000 0.390 186 I N -2.142 118.462 120.570 0.057 0.000 1.753 186 I HA 0.628 4.798 4.170 -0.000 0.000 0.326 186 I C 0.958 177.096 176.117 0.035 0.000 0.403 186 I CA 0.920 62.251 61.300 0.051 0.000 3.301 186 I CB -0.902 37.133 38.000 0.058 0.000 1.556 186 I HN 0.823 nan 8.210 nan 0.000 0.547 187 G N 1.156 109.969 108.800 0.021 0.000 5.356 187 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.309 187 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.309 187 G C 0.922 175.830 174.900 0.013 0.000 1.451 187 G CA 1.921 47.027 45.100 0.010 0.000 0.978 187 G HN 1.623 nan 8.290 nan 0.000 0.771 188 V N 0.647 120.572 119.914 0.019 0.000 2.070 188 V HA -0.300 3.820 4.120 -0.000 0.000 0.100 188 V C 1.437 177.539 176.094 0.013 0.000 0.533 188 V CA 2.861 65.172 62.300 0.017 0.000 1.406 188 V CB -1.819 30.015 31.823 0.018 0.000 1.610 188 V HN 0.847 nan 8.190 nan 0.000 0.921 189 E N 0.275 120.481 120.200 0.010 0.000 2.527 189 E HA 0.102 4.452 4.350 -0.000 0.000 0.204 189 E C 1.994 178.600 176.600 0.010 0.000 1.132 189 E CA 0.692 57.097 56.400 0.007 0.000 0.905 189 E CB -0.447 29.254 29.700 0.002 0.000 0.875 189 E HN 1.013 nan 8.360 nan 0.000 0.548 190 G N 1.507 110.314 108.800 0.013 0.000 4.293 190 G HA2 -0.518 3.442 3.960 -0.000 0.000 0.222 190 G HA3 -0.518 3.442 3.960 -0.000 0.000 0.222 190 G C 1.055 175.964 174.900 0.015 0.000 1.452 190 G CA 1.187 46.295 45.100 0.013 0.000 1.312 190 G HN 0.437 nan 8.290 nan 0.000 0.709 191 Q N 0.014 119.823 119.800 0.014 0.000 1.858 191 Q HA 0.073 4.413 4.340 -0.000 0.000 0.224 191 Q C 0.969 176.983 176.000 0.023 0.000 0.980 191 Q CA 1.818 57.631 55.803 0.016 0.000 0.868 191 Q CB -0.173 28.573 28.738 0.014 0.000 0.920 191 Q HN 0.568 nan 8.270 nan 0.000 0.427 192 T N 1.654 116.222 114.554 0.023 0.000 3.005 192 T HA 0.228 4.578 4.350 -0.000 0.000 0.323 192 T C -2.320 172.401 174.700 0.034 0.000 1.131 192 T CA -1.354 60.767 62.100 0.035 0.000 0.977 192 T CB 1.136 70.024 68.868 0.033 0.000 1.055 192 T HN 0.209 nan 8.240 nan 0.000 0.562 193 P HA -0.069 nan 4.420 nan 0.000 0.228 193 P C 0.907 178.237 177.300 0.050 0.000 1.151 193 P CA 0.629 63.753 63.100 0.040 0.000 0.770 193 P CB 0.173 31.898 31.700 0.043 0.000 0.786 194 K N -3.414 117.037 120.400 0.085 0.000 1.789 194 K HA -0.255 4.065 4.320 -0.000 0.000 0.500 194 K C 0.481 177.251 176.600 0.285 0.000 1.852 194 K CA 1.956 58.308 56.287 0.109 0.000 0.769 194 K CB -1.511 30.926 32.500 -0.105 0.000 1.303 194 K HN 0.143 nan 8.250 nan 0.000 0.656 195 Y N -3.572 116.729 120.300 0.002 0.000 2.610 195 Y HA 0.704 5.254 4.550 -0.000 0.000 0.102 195 Y C -0.312 175.582 175.900 -0.011 0.000 0.950 195 Y CA 0.116 58.216 58.100 0.001 0.000 1.839 195 Y CB 0.004 38.464 38.460 -0.000 0.000 1.162 195 Y HN 0.800 nan 8.280 nan 0.000 0.205 196 A N -0.356 122.462 122.820 -0.003 0.000 2.564 196 A HA 0.478 4.798 4.320 -0.000 0.000 0.291 196 A C -2.198 175.316 177.584 -0.118 0.000 1.102 196 A CA -0.253 51.740 52.037 -0.073 0.000 0.660 196 A CB 1.169 20.153 19.000 -0.026 0.000 1.283 196 A HN 0.508 nan 8.150 nan 0.000 0.430 197 D N 1.009 121.334 120.400 -0.125 0.000 2.472 197 D HA 0.210 4.850 4.640 -0.000 0.000 0.234 197 D C 0.656 176.875 176.300 -0.134 0.000 1.088 197 D CA -0.419 53.517 54.000 -0.105 0.000 0.882 197 D CB 0.884 41.636 40.800 -0.081 0.000 1.037 197 D HN 0.580 nan 8.370 nan 0.000 0.520 198 K N 2.115 122.440 120.400 -0.125 0.000 1.993 198 K HA -0.108 4.212 4.320 -0.000 0.000 0.222 198 K C 1.243 177.777 176.600 -0.109 0.000 1.021 198 K CA 0.669 56.853 56.287 -0.172 0.000 1.023 198 K CB -1.482 30.928 32.500 -0.149 0.000 0.799 198 K HN 0.337 nan 8.250 nan 0.000 0.444 199 T N 1.471 116.001 114.554 -0.039 0.000 8.522 199 T HA -0.339 4.011 4.350 -0.000 0.000 0.276 199 T C 1.381 176.119 174.700 0.063 0.000 1.619 199 T CA 3.100 65.215 62.100 0.025 0.000 1.664 199 T CB -1.367 67.539 68.868 0.063 0.000 1.951 199 T HN 0.609 nan 8.240 nan 0.000 0.595 200 F N 3.564 123.494 119.950 -0.032 0.000 2.164 200 F HA 0.271 4.798 4.527 -0.000 0.000 0.287 200 F C 1.396 177.178 175.800 -0.030 0.000 1.086 200 F CA 0.496 58.480 58.000 -0.026 0.000 1.249 200 F CB -0.221 38.766 39.000 -0.023 0.000 1.059 200 F HN 0.550 nan 8.300 nan 0.000 0.490 201 Q N 2.672 121.827 119.800 -1.075 0.000 2.199 201 Q HA 0.388 4.728 4.340 -0.000 0.000 0.232 201 Q C -2.503 173.230 176.000 -0.444 0.000 0.969 201 Q CA -2.140 53.065 55.803 -0.996 0.000 0.925 201 Q CB 0.856 29.002 28.738 -0.988 0.000 1.198 201 Q HN 0.075 nan 8.270 nan 0.000 0.494 202 P HA -0.013 nan 4.420 nan 0.000 0.313 202 P C -0.998 176.107 177.300 -0.324 0.000 1.332 202 P CA 0.320 63.248 63.100 -0.287 0.000 0.777 202 P CB 0.192 31.823 31.700 -0.115 0.000 1.599 203 E N -3.221 116.867 120.200 -0.186 0.000 2.435 203 E HA 0.440 4.790 4.350 -0.000 0.000 0.277 203 E C -2.815 173.749 176.600 -0.059 0.000 1.106 203 E CA -1.514 54.811 56.400 -0.124 0.000 0.868 203 E CB -1.302 28.326 29.700 -0.119 0.000 1.454 203 E HN 0.238 nan 8.360 nan 0.000 0.452 204 P HA 0.416 nan 4.420 nan 0.000 0.227 204 P C -0.858 176.430 177.300 -0.020 0.000 1.815 204 P CA -0.233 62.855 63.100 -0.020 0.000 1.134 204 P CB 0.613 32.305 31.700 -0.013 0.000 1.795 205 Q N 1.112 120.894 119.800 -0.029 0.000 1.778 205 Q HA 0.224 4.564 4.340 -0.000 0.000 0.170 205 Q C -0.484 175.491 176.000 -0.042 0.000 0.765 205 Q CA 0.045 55.831 55.803 -0.028 0.000 0.842 205 Q CB 0.882 29.609 28.738 -0.018 0.000 1.226 205 Q HN 0.364 nan 8.270 nan 0.000 0.387 206 I N -0.929 119.610 120.570 -0.053 0.000 3.006 206 I HA 0.742 4.912 4.170 -0.000 0.000 0.306 206 I C -0.078 176.024 176.117 -0.025 0.000 1.250 206 I CA -0.755 60.502 61.300 -0.071 0.000 0.996 206 I CB 2.446 40.346 38.000 -0.167 0.000 1.261 206 I HN -0.032 nan 8.210 nan 0.000 0.442 207 G N 1.436 110.246 108.800 0.016 0.000 2.559 207 G HA2 0.559 4.519 3.960 -0.000 0.000 0.291 207 G HA3 0.559 4.519 3.960 -0.000 0.000 0.291 207 G C -0.601 174.397 174.900 0.164 0.000 1.424 207 G CA 0.058 45.224 45.100 0.111 0.000 0.786 207 G HN 0.957 nan 8.290 nan 0.000 0.485 208 E N -0.609 119.698 120.200 0.178 0.000 3.551 208 E HA -0.369 3.981 4.350 -0.000 0.000 0.403 208 E C 0.955 177.653 176.600 0.163 0.000 1.596 208 E CA 2.193 58.670 56.400 0.129 0.000 1.713 208 E CB -1.325 28.423 29.700 0.080 0.000 1.618 208 E HN 1.656 nan 8.360 nan 0.000 0.429 209 S N -1.182 114.579 115.700 0.101 0.000 1.241 209 S HA -0.081 4.389 4.470 -0.000 0.000 0.253 209 S C -0.670 173.964 174.600 0.056 0.000 0.592 209 S CA 0.778 59.032 58.200 0.090 0.000 0.945 209 S CB -0.583 62.690 63.200 0.121 0.000 0.842 209 S HN 0.664 nan 8.310 nan 0.000 0.485 210 Q N 0.005 119.798 119.800 -0.012 0.000 3.022 210 Q HA 0.707 5.047 4.340 -0.000 0.000 0.313 210 Q C -0.673 175.326 176.000 -0.002 0.000 1.018 210 Q CA -0.648 55.091 55.803 -0.106 0.000 0.799 210 Q CB 0.849 29.269 28.738 -0.529 0.000 1.498 210 Q HN 0.585 nan 8.270 nan 0.000 0.494 211 W N -0.593 120.457 121.300 -0.417 0.000 0.830 211 W HA 0.334 4.994 4.660 -0.000 0.000 0.261 211 W C -1.336 175.095 176.519 -0.146 0.000 0.827 211 W CA -0.691 56.511 57.345 -0.240 0.000 1.701 211 W CB -0.923 28.474 29.460 -0.105 0.000 1.057 211 W HN 0.666 nan 8.180 nan 0.000 0.445 212 Y N 0.440 120.661 120.300 -0.131 0.000 2.613 212 Y HA 0.750 5.300 4.550 -0.000 0.000 0.359 212 Y C 0.269 176.134 175.900 -0.059 0.000 1.289 212 Y CA -1.978 56.026 58.100 -0.161 0.000 1.460 212 Y CB -0.271 38.057 38.460 -0.220 0.000 1.622 212 Y HN -0.060 nan 8.280 nan 0.000 0.631 213 E N 0.068 120.431 120.200 0.272 0.000 2.183 213 E HA 0.192 4.542 4.350 -0.000 0.000 0.250 213 E C -1.070 175.573 176.600 0.072 0.000 0.901 213 E CA -0.333 56.150 56.400 0.139 0.000 0.741 213 E CB 1.431 31.163 29.700 0.053 0.000 1.182 213 E HN 0.605 nan 8.360 nan 0.000 0.425 214 T N 3.296 117.923 114.554 0.122 0.000 3.378 214 T HA -0.002 4.348 4.350 -0.000 0.000 0.359 214 T C 0.067 174.773 174.700 0.009 0.000 1.815 214 T CA -0.497 61.613 62.100 0.018 0.000 1.509 214 T CB -0.323 68.579 68.868 0.056 0.000 1.049 214 T HN 0.594 nan 8.240 nan 0.000 0.705 215 E N 2.559 122.750 120.200 -0.015 0.000 2.272 215 E HA -0.234 4.117 4.350 -0.000 0.000 0.160 215 E C -0.841 175.733 176.600 -0.044 0.000 1.627 215 E CA 0.358 56.739 56.400 -0.032 0.000 0.641 215 E CB -1.799 27.880 29.700 -0.035 0.000 1.060 215 E HN 0.634 nan 8.360 nan 0.000 0.324 216 I N 0.953 121.500 120.570 -0.040 0.000 2.529 216 I HA 0.267 4.437 4.170 -0.000 0.000 0.284 216 I C 1.300 177.346 176.117 -0.118 0.000 1.082 216 I CA 0.032 61.297 61.300 -0.058 0.000 1.406 216 I CB 0.621 38.602 38.000 -0.032 0.000 1.405 216 I HN 0.448 nan 8.210 nan 0.000 0.548 217 N N 2.636 121.220 118.700 -0.194 0.000 2.340 217 N HA 0.046 4.786 4.740 -0.000 0.000 0.287 217 N C -0.431 174.913 175.510 -0.276 0.000 0.834 217 N CA -0.474 52.386 53.050 -0.316 0.000 0.906 217 N CB 0.307 38.446 38.487 -0.580 0.000 1.857 217 N HN 0.640 nan 8.380 nan 0.000 1.030 218 H N 1.360 120.427 119.070 -0.005 0.000 2.488 218 H HA 0.843 5.399 4.556 -0.000 0.000 0.322 218 H C -0.293 175.025 175.328 -0.017 0.000 1.078 218 H CA -0.357 55.689 56.048 -0.004 0.000 1.260 218 H CB 1.766 31.537 29.762 0.016 0.000 1.425 218 H HN 0.467 nan 8.280 nan 0.000 0.471 219 A N 1.820 124.692 122.820 0.086 0.000 2.544 219 A HA 0.809 5.129 4.320 -0.000 0.000 0.291 219 A C -1.626 175.973 177.584 0.025 0.000 1.055 219 A CA -0.181 51.891 52.037 0.058 0.000 0.651 219 A CB 0.746 19.762 19.000 0.028 0.000 1.296 219 A HN 0.964 nan 8.150 nan 0.000 0.431 220 A N -1.057 121.796 122.820 0.055 0.000 2.609 220 A HA 0.995 5.315 4.320 -0.000 0.000 0.291 220 A C 0.092 177.702 177.584 0.043 0.000 1.096 220 A CA 0.306 52.349 52.037 0.010 0.000 0.684 220 A CB 0.982 20.018 19.000 0.060 0.000 1.282 220 A HN 2.571 nan 8.150 nan 0.000 0.412 221 G N -0.429 108.370 108.800 -0.002 0.000 3.321 221 G HA2 0.618 4.578 3.960 -0.000 0.000 0.169 221 G HA3 0.618 4.578 3.960 -0.000 0.000 0.169 221 G C -0.815 174.119 174.900 0.057 0.000 1.153 221 G CA -0.149 44.967 45.100 0.026 0.000 1.007 221 G HN 0.848 nan 8.290 nan 0.000 0.668 222 R N -2.315 118.192 120.500 0.013 0.000 2.810 222 R HA 0.814 5.154 4.340 -0.000 0.000 0.266 222 R C -1.345 174.948 176.300 -0.011 0.000 1.061 222 R CA -0.400 55.718 56.100 0.030 0.000 0.943 222 R CB 1.555 31.873 30.300 0.030 0.000 1.237 222 R HN 0.516 nan 8.270 nan 0.000 0.459 223 V N 0.586 120.500 119.914 0.000 0.000 3.156 223 V HA 0.581 4.701 4.120 -0.000 0.000 0.311 223 V C -1.101 174.992 176.094 -0.002 0.000 1.208 223 V CA -0.869 61.420 62.300 -0.018 0.000 1.063 223 V CB 2.382 34.180 31.823 -0.043 0.000 1.098 223 V HN 0.547 nan 8.190 nan 0.000 0.452 224 L N 2.637 123.857 121.223 -0.006 0.000 2.472 224 L HA 0.350 4.690 4.340 -0.000 0.000 0.256 224 L C 0.328 177.202 176.870 0.006 0.000 1.560 224 L CA -0.232 54.612 54.840 0.008 0.000 0.805 224 L CB 0.386 42.457 42.059 0.020 0.000 1.017 224 L HN 0.773 nan 8.230 nan 0.000 0.519 225 K N 0.346 120.744 120.400 -0.003 0.000 2.349 225 K HA -0.284 4.036 4.320 -0.000 0.000 0.236 225 K C 0.866 177.466 176.600 0.000 0.000 1.069 225 K CA 1.037 57.320 56.287 -0.006 0.000 1.031 225 K CB 0.679 33.180 32.500 0.002 0.000 0.734 225 K HN 0.467 nan 8.250 nan 0.000 0.483 226 K N 0.288 120.686 120.400 -0.004 0.000 2.099 226 K HA -0.051 4.269 4.320 -0.000 0.000 0.203 226 K C 1.945 178.560 176.600 0.024 0.000 1.047 226 K CA 1.589 57.879 56.287 0.006 0.000 0.963 226 K CB 0.039 32.532 32.500 -0.012 0.000 0.759 226 K HN 0.700 nan 8.250 nan 0.000 0.451 227 T N 0.046 114.611 114.554 0.018 0.000 3.072 227 T HA -0.024 4.326 4.350 -0.000 0.000 0.266 227 T C 0.612 175.328 174.700 0.026 0.000 1.127 227 T CA 0.471 62.584 62.100 0.022 0.000 1.107 227 T CB -0.243 68.635 68.868 0.016 0.000 0.910 227 T HN 0.071 nan 8.240 nan 0.000 0.513 228 T N 2.575 117.145 114.554 0.027 0.000 2.753 228 T HA 0.432 4.782 4.350 -0.000 0.000 0.297 228 T C -2.653 172.073 174.700 0.044 0.000 0.981 228 T CA -1.894 60.224 62.100 0.031 0.000 0.956 228 T CB 0.989 69.873 68.868 0.025 0.000 0.936 228 T HN -0.035 nan 8.240 nan 0.000 0.463 229 P HA -0.152 nan 4.420 nan 0.000 0.276 229 P C -0.243 177.105 177.300 0.081 0.000 1.202 229 P CA 0.378 63.515 63.100 0.063 0.000 0.786 229 P CB 0.253 31.985 31.700 0.053 0.000 0.782 230 M N 1.393 121.055 119.600 0.104 0.000 2.060 230 M HA 0.474 4.954 4.480 -0.000 0.000 0.275 230 M C -1.509 174.864 176.300 0.122 0.000 0.919 230 M CA 0.015 55.398 55.300 0.138 0.000 0.970 230 M CB 1.101 33.834 32.600 0.221 0.000 1.670 230 M HN 0.229 nan 8.290 nan 0.000 0.440 231 K N 3.144 123.609 120.400 0.109 0.000 2.597 231 K HA 0.602 4.922 4.320 -0.000 0.000 0.282 231 K C -2.971 173.690 176.600 0.101 0.000 0.975 231 K CA -1.340 55.006 56.287 0.100 0.000 0.867 231 K CB 2.168 34.719 32.500 0.086 0.000 1.465 231 K HN 0.304 nan 8.250 nan 0.000 0.417 232 P HA -0.209 nan 4.420 nan 0.000 0.279 232 P C -0.165 177.207 177.300 0.119 0.000 1.441 232 P CA -0.097 63.064 63.100 0.101 0.000 1.085 232 P CB 0.384 32.140 31.700 0.093 0.000 1.000 233 C N -2.233 117.153 119.300 0.142 0.000 3.517 233 C HA 0.602 5.062 4.460 -0.000 0.000 0.182 233 C C -0.047 175.142 174.990 0.330 0.000 2.949 233 C CA 0.189 59.312 59.018 0.174 0.000 1.929 233 C CB -0.678 27.140 27.740 0.131 0.000 3.369 233 C HN 0.726 nan 8.230 nan 0.000 0.431 234 Y N 0.212 120.547 120.300 0.059 0.000 2.511 234 Y HA -0.090 4.460 4.550 -0.000 0.000 0.317 234 Y C 0.930 176.908 175.900 0.130 0.000 1.694 234 Y CA 1.295 59.446 58.100 0.084 0.000 1.421 234 Y CB -1.147 37.345 38.460 0.053 0.000 2.057 234 Y HN 2.383 nan 8.280 nan 0.000 0.257 235 G N 0.930 109.277 108.800 -0.755 0.000 2.542 235 G HA2 -0.441 3.519 3.960 -0.000 0.000 0.251 235 G HA3 -0.441 3.519 3.960 -0.000 0.000 0.251 235 G C 0.827 175.647 174.900 -0.133 0.000 1.016 235 G CA 2.117 46.862 45.100 -0.591 0.000 0.646 235 G HN 2.090 nan 8.290 nan 0.000 0.553 236 S N -0.973 114.662 115.700 -0.109 0.000 2.502 236 S HA 0.623 5.093 4.470 -0.000 0.000 0.251 236 S C -0.041 174.474 174.600 -0.141 0.000 1.254 236 S CA 0.827 58.974 58.200 -0.088 0.000 0.989 236 S CB 1.275 64.472 63.200 -0.005 0.000 1.015 236 S HN 1.506 nan 8.310 nan 0.000 0.529 237 Y N -1.956 118.198 120.300 -0.244 0.000 2.638 237 Y HA 0.466 5.016 4.550 -0.000 0.000 0.334 237 Y C -1.513 174.305 175.900 -0.136 0.000 1.182 237 Y CA -0.317 57.619 58.100 -0.273 0.000 1.102 237 Y CB 1.035 39.209 38.460 -0.476 0.000 1.343 237 Y HN 0.982 nan 8.280 nan 0.000 0.463 238 A N 4.599 127.405 122.820 -0.023 0.000 2.375 238 A HA 0.603 4.923 4.320 -0.000 0.000 0.291 238 A C -1.508 176.178 177.584 0.171 0.000 1.160 238 A CA -0.772 51.302 52.037 0.063 0.000 0.747 238 A CB 1.073 20.043 19.000 -0.050 0.000 1.170 238 A HN 0.561 nan 8.150 nan 0.000 0.458 239 K N 3.755 124.323 120.400 0.281 0.000 2.185 239 K HA 0.542 4.862 4.320 -0.000 0.000 0.271 239 K C -2.616 174.062 176.600 0.129 0.000 1.013 239 K CA -1.540 54.905 56.287 0.264 0.000 0.943 239 K CB 0.869 33.447 32.500 0.129 0.000 0.998 239 K HN 0.374 nan 8.250 nan 0.000 0.468 240 P HA 0.134 nan 4.420 nan 0.000 0.284 240 P C -0.477 176.835 177.300 0.020 0.000 1.432 240 P CA -0.443 62.687 63.100 0.050 0.000 0.929 240 P CB 1.471 33.187 31.700 0.028 0.000 1.158 241 T N 3.064 117.630 114.554 0.019 0.000 2.700 241 T HA -0.084 4.266 4.350 -0.000 0.000 0.226 241 T C 0.821 175.506 174.700 -0.025 0.000 1.209 241 T CA 0.953 63.055 62.100 0.004 0.000 1.755 241 T CB -1.078 67.799 68.868 0.016 0.000 1.080 241 T HN 0.547 nan 8.240 nan 0.000 0.380 242 N N 2.509 121.190 118.700 -0.032 0.000 2.124 242 N HA -0.130 4.610 4.740 -0.000 0.000 0.227 242 N C 0.871 176.323 175.510 -0.097 0.000 1.268 242 N CA 0.418 53.432 53.050 -0.059 0.000 0.864 242 N CB 0.181 38.632 38.487 -0.060 0.000 1.070 242 N HN 0.530 nan 8.380 nan 0.000 0.452 243 E N -0.874 119.269 120.200 -0.095 0.000 2.274 243 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 243 E C -0.106 176.392 176.600 -0.171 0.000 0.996 243 E CA 0.856 57.194 56.400 -0.103 0.000 0.840 243 E CB -0.632 29.024 29.700 -0.074 0.000 0.772 243 E HN 0.586 nan 8.360 nan 0.000 0.491 244 N N 1.112 119.670 118.700 -0.236 0.000 2.683 244 N HA 0.112 4.852 4.740 -0.000 0.000 0.256 244 N C 0.848 175.903 175.510 -0.759 0.000 1.270 244 N CA 0.738 53.531 53.050 -0.429 0.000 0.954 244 N CB -0.259 38.000 38.487 -0.380 0.000 1.289 244 N HN 0.384 nan 8.380 nan 0.000 0.508 245 G N -0.862 107.670 108.800 -0.446 0.000 2.298 245 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.271 245 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.271 245 G C 0.842 175.532 174.900 -0.351 0.000 1.004 245 G CA 0.882 45.763 45.100 -0.364 0.000 0.664 245 G HN 0.625 nan 8.290 nan 0.000 0.553 246 G N -1.226 107.240 108.800 -0.555 0.000 2.647 246 G HA2 0.441 4.401 3.960 -0.000 0.000 0.271 246 G HA3 0.441 4.401 3.960 -0.000 0.000 0.271 246 G C 0.495 175.445 174.900 0.083 0.000 1.300 246 G CA 0.568 45.665 45.100 -0.005 0.000 0.997 246 G HN 0.877 nan 8.290 nan 0.000 0.533 247 Q N -0.562 119.336 119.800 0.164 0.000 2.155 247 Q HA 0.230 4.570 4.340 -0.000 0.000 0.278 247 Q C 1.401 177.456 176.000 0.092 0.000 0.851 247 Q CA 0.055 55.916 55.803 0.098 0.000 1.052 247 Q CB 0.470 29.264 28.738 0.093 0.000 1.307 247 Q HN 0.647 nan 8.270 nan 0.000 0.403 248 G N 1.379 110.242 108.800 0.105 0.000 2.505 248 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.220 248 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.220 248 G C 1.022 175.953 174.900 0.050 0.000 1.145 248 G CA 1.671 46.819 45.100 0.080 0.000 0.761 248 G HN 0.407 nan 8.290 nan 0.000 0.571 249 I N -1.977 118.618 120.570 0.042 0.000 4.089 249 I HA -0.191 3.979 4.170 -0.000 0.000 0.203 249 I C 0.475 176.605 176.117 0.023 0.000 0.441 249 I CA 0.601 61.919 61.300 0.030 0.000 1.227 249 I CB -1.412 36.605 38.000 0.028 0.000 3.637 249 I HN 0.317 nan 8.210 nan 0.000 0.997 250 L N 0.595 121.832 121.223 0.024 0.000 3.963 250 L HA -0.096 4.244 4.340 -0.000 0.000 0.470 250 L C 0.959 177.837 176.870 0.014 0.000 1.007 250 L CA 0.481 55.332 54.840 0.019 0.000 0.675 250 L CB -1.036 41.035 42.059 0.020 0.000 1.045 250 L HN 0.187 nan 8.230 nan 0.000 0.885 251 V N 0.923 120.844 119.914 0.011 0.000 4.866 251 V HA 0.386 4.506 4.120 -0.000 0.000 0.169 251 V C 0.585 176.683 176.094 0.007 0.000 0.965 251 V CA -0.498 61.807 62.300 0.008 0.000 1.452 251 V CB 0.027 31.854 31.823 0.007 0.000 2.235 251 V HN 0.898 nan 8.190 nan 0.000 0.398 252 K N 1.474 121.878 120.400 0.006 0.000 7.219 252 K HA -0.174 4.146 4.320 -0.000 0.000 0.683 252 K C -0.602 176.000 176.600 0.004 0.000 2.548 252 K CA 0.757 57.047 56.287 0.005 0.000 1.868 252 K CB -0.798 31.705 32.500 0.006 0.000 1.932 252 K HN 0.745 nan 8.250 nan 0.000 0.297 253 Q N 2.430 122.232 119.800 0.003 0.000 3.147 253 Q HA 0.202 4.542 4.340 -0.000 0.000 0.224 253 Q C 0.009 176.010 176.000 0.001 0.000 0.901 253 Q CA -0.317 55.487 55.803 0.002 0.000 0.729 253 Q CB 0.954 29.693 28.738 0.001 0.000 1.363 253 Q HN 0.542 nan 8.270 nan 0.000 0.467 254 Q N -0.311 119.490 119.800 0.002 0.000 1.969 254 Q HA 0.045 4.385 4.340 -0.000 0.000 0.151 254 Q C 0.179 176.180 176.000 0.002 0.000 0.644 254 Q CA 0.357 56.161 55.803 0.001 0.000 0.899 254 Q CB 0.029 28.768 28.738 0.002 0.000 1.097 254 Q HN 0.547 nan 8.270 nan 0.000 0.292 255 N N -0.866 117.836 118.700 0.002 0.000 1.986 255 N HA 0.123 4.863 4.740 -0.000 0.000 0.227 255 N C 0.851 176.363 175.510 0.003 0.000 1.387 255 N CA 0.873 53.925 53.050 0.003 0.000 0.810 255 N CB 1.078 39.566 38.487 0.003 0.000 1.140 255 N HN 0.179 nan 8.380 nan 0.000 0.504 256 G N 0.704 109.506 108.800 0.004 0.000 2.798 256 G HA2 0.158 4.118 3.960 -0.000 0.000 0.200 256 G HA3 0.158 4.118 3.960 -0.000 0.000 0.200 256 G C -0.298 174.605 174.900 0.005 0.000 1.092 256 G CA 0.044 45.147 45.100 0.005 0.000 0.800 256 G HN 0.153 nan 8.290 nan 0.000 0.566 257 K N -0.374 120.029 120.400 0.004 0.000 6.744 257 K HA -0.138 4.182 4.320 -0.000 0.000 0.720 257 K C -0.021 176.582 176.600 0.005 0.000 2.325 257 K CA 0.194 56.483 56.287 0.004 0.000 1.691 257 K CB -0.876 31.625 32.500 0.003 0.000 1.863 257 K HN 0.341 nan 8.250 nan 0.000 0.302 258 L N 0.487 121.714 121.223 0.005 0.000 3.664 258 L HA -0.266 4.074 4.340 -0.000 0.000 0.560 258 L C -0.297 176.579 176.870 0.010 0.000 1.285 258 L CA 0.928 55.772 54.840 0.007 0.000 0.864 258 L CB -0.945 41.117 42.059 0.006 0.000 1.512 258 L HN 0.641 nan 8.230 nan 0.000 0.853 259 E N -0.219 119.987 120.200 0.010 0.000 2.238 259 E HA 0.666 5.016 4.350 -0.000 0.000 0.267 259 E C -0.157 176.451 176.600 0.013 0.000 0.887 259 E CA -0.095 56.312 56.400 0.012 0.000 0.769 259 E CB 1.986 31.693 29.700 0.011 0.000 1.187 259 E HN 0.387 nan 8.360 nan 0.000 0.416 260 S N 1.409 117.118 115.700 0.016 0.000 2.855 260 S HA 0.349 4.819 4.470 -0.000 0.000 0.308 260 S C 0.472 175.082 174.600 0.017 0.000 1.077 260 S CA -0.688 57.522 58.200 0.017 0.000 0.896 260 S CB 1.807 65.019 63.200 0.021 0.000 1.339 260 S HN 0.540 nan 8.310 nan 0.000 0.602 261 Q N -0.657 119.154 119.800 0.018 0.000 2.596 261 Q HA 0.337 4.677 4.340 -0.000 0.000 0.190 261 Q C -0.737 175.275 176.000 0.020 0.000 0.905 261 Q CA 0.700 56.514 55.803 0.019 0.000 0.846 261 Q CB 0.283 29.032 28.738 0.020 0.000 1.117 261 Q HN 0.819 nan 8.270 nan 0.000 0.630 262 V N 3.166 123.093 119.914 0.022 0.000 3.585 262 V HA -0.246 3.874 4.120 -0.000 0.000 0.489 262 V C -0.222 175.895 176.094 0.038 0.000 0.682 262 V CA 1.285 63.598 62.300 0.022 0.000 2.013 262 V CB -1.480 30.340 31.823 -0.004 0.000 2.442 262 V HN 0.635 nan 8.190 nan 0.000 0.504 263 E N 6.030 126.273 120.200 0.072 0.000 2.447 263 E HA 0.936 5.286 4.350 -0.000 0.000 0.251 263 E C -0.396 176.322 176.600 0.196 0.000 0.910 263 E CA -1.371 55.088 56.400 0.098 0.000 0.841 263 E CB 2.200 31.940 29.700 0.066 0.000 1.403 263 E HN 0.628 nan 8.360 nan 0.000 0.400 264 M N -0.712 118.985 119.600 0.163 0.000 2.779 264 M HA 0.485 4.965 4.480 -0.000 0.000 0.277 264 M C -1.322 175.022 176.300 0.074 0.000 1.284 264 M CA -0.942 54.464 55.300 0.176 0.000 0.801 264 M CB 2.408 35.151 32.600 0.238 0.000 1.712 264 M HN 0.550 nan 8.290 nan 0.000 0.453 265 Q N 0.978 120.801 119.800 0.037 0.000 2.913 265 Q HA 0.338 4.678 4.340 -0.000 0.000 0.208 265 Q C -2.322 173.747 176.000 0.114 0.000 0.848 265 Q CA -0.103 55.745 55.803 0.076 0.000 1.227 265 Q CB 1.182 29.919 28.738 -0.002 0.000 1.647 265 Q HN 0.621 nan 8.270 nan 0.000 0.591 266 F N 3.382 123.400 119.950 0.113 0.000 2.529 266 F HA 0.521 5.048 4.527 -0.000 0.000 0.365 266 F C -0.616 175.387 175.800 0.338 0.000 1.102 266 F CA 0.949 59.037 58.000 0.147 0.000 1.271 266 F CB 0.509 39.562 39.000 0.089 0.000 1.120 266 F HN 0.518 nan 8.300 nan 0.000 0.579 267 F N 3.403 123.370 119.950 0.028 0.000 2.653 267 F HA 0.389 4.916 4.527 -0.000 0.000 0.327 267 F C -0.356 175.477 175.800 0.054 0.000 1.195 267 F CA -0.494 57.536 58.000 0.051 0.000 0.993 267 F CB 1.613 40.592 39.000 -0.035 0.000 1.259 267 F HN 0.297 nan 8.300 nan 0.000 0.478 268 S N 1.010 116.814 115.700 0.173 0.000 2.638 268 S HA 0.728 5.198 4.470 -0.000 0.000 0.274 268 S C -1.149 173.483 174.600 0.054 0.000 1.157 268 S CA -0.581 57.707 58.200 0.147 0.000 0.826 268 S CB 1.694 65.061 63.200 0.279 0.000 1.139 268 S HN 0.434 nan 8.310 nan 0.000 0.474 269 T N 2.654 117.237 114.554 0.049 0.000 2.806 269 T HA 0.420 4.770 4.350 -0.000 0.000 0.290 269 T C 0.496 175.205 174.700 0.015 0.000 0.966 269 T CA -0.628 61.483 62.100 0.019 0.000 1.060 269 T CB 0.725 69.604 68.868 0.018 0.000 0.927 269 T HN 0.743 nan 8.240 nan 0.000 0.485 280 L N 0.202 121.422 121.223 -0.004 0.000 4.250 280 L HA -0.235 4.105 4.340 -0.000 0.000 0.495 280 L C -0.551 176.316 176.870 -0.006 0.000 1.020 280 L CA 1.714 56.547 54.840 -0.010 0.000 0.932 280 L CB -2.133 39.920 42.059 -0.011 0.000 1.849 280 L HN 0.601 nan 8.230 nan 0.000 1.032 281 T N -2.407 112.151 114.554 0.006 0.000 3.863 281 T HA 0.220 4.570 4.350 -0.000 0.000 0.179 281 T C -2.433 172.302 174.700 0.059 0.000 0.519 281 T CA -0.769 61.344 62.100 0.022 0.000 0.919 281 T CB 1.177 70.061 68.868 0.027 0.000 1.340 281 T HN -0.031 nan 8.240 nan 0.000 0.516 282 P HA 0.921 nan 4.420 nan 0.000 0.310 282 P C -0.963 176.534 177.300 0.329 0.000 1.309 282 P CA -0.828 62.380 63.100 0.180 0.000 0.769 282 P CB 0.824 32.642 31.700 0.196 0.000 1.327 283 K N -0.788 119.896 120.400 0.472 0.000 2.132 283 K HA 0.396 4.716 4.320 -0.000 0.000 0.377 283 K C -1.649 174.998 176.600 0.078 0.000 1.694 283 K CA -0.135 56.441 56.287 0.481 0.000 1.105 283 K CB -0.505 32.260 32.500 0.442 0.000 1.396 283 K HN 0.424 nan 8.250 nan 0.000 0.463 284 V N -0.725 118.932 119.914 -0.428 0.000 3.147 284 V HA 0.933 5.053 4.120 -0.000 0.000 0.306 284 V C -1.650 174.012 176.094 -0.720 0.000 1.209 284 V CA -0.745 61.305 62.300 -0.418 0.000 1.023 284 V CB 2.405 34.062 31.823 -0.276 0.000 1.059 284 V HN 0.280 nan 8.190 nan 0.000 0.435 285 V N 4.616 124.253 119.914 -0.461 0.000 2.707 285 V HA 0.476 4.596 4.120 -0.000 0.000 0.271 285 V C -1.470 174.146 176.094 -0.797 0.000 1.013 285 V CA -0.130 61.846 62.300 -0.540 0.000 0.908 285 V CB 1.224 32.871 31.823 -0.294 0.000 1.051 285 V HN 0.960 nan 8.190 nan 0.000 0.476 286 L N 5.715 126.471 121.223 -0.778 0.000 2.334 286 L HA 0.706 5.046 4.340 -0.000 0.000 0.272 286 L C -0.568 175.776 176.870 -0.878 0.000 1.020 286 L CA -0.388 53.988 54.840 -0.774 0.000 0.812 286 L CB 2.200 44.035 42.059 -0.373 0.000 1.264 286 L HN 0.625 nan 8.230 nan 0.000 0.439 287 Y N -0.425 119.835 120.300 -0.067 0.000 2.772 287 Y HA 0.568 5.118 4.550 -0.000 0.000 0.324 287 Y C 0.642 176.510 175.900 -0.054 0.000 1.169 287 Y CA -0.592 57.475 58.100 -0.054 0.000 1.198 287 Y CB 1.400 39.836 38.460 -0.041 0.000 1.402 287 Y HN 0.503 nan 8.280 nan 0.000 0.577 288 S N -1.210 114.570 115.700 0.134 0.000 3.081 288 S HA 0.707 5.177 4.470 -0.000 0.000 0.316 288 S C -1.261 173.367 174.600 0.047 0.000 1.089 288 S CA -0.513 57.718 58.200 0.052 0.000 0.897 288 S CB 2.629 65.842 63.200 0.022 0.000 1.358 288 S HN 0.784 nan 8.310 nan 0.000 0.678 289 E N -0.683 119.535 120.200 0.029 0.000 6.013 289 E HA 0.196 4.546 4.350 -0.000 0.000 0.552 289 E C -2.368 174.246 176.600 0.023 0.000 1.683 289 E CA -0.623 55.793 56.400 0.027 0.000 3.042 289 E CB -0.910 28.809 29.700 0.031 0.000 0.789 289 E HN 0.452 nan 8.360 nan 0.000 0.264 290 D N -1.667 118.749 120.400 0.026 0.000 2.755 290 D HA 0.617 5.257 4.640 -0.000 0.000 0.277 290 D C -0.909 175.409 176.300 0.029 0.000 1.261 290 D CA 0.205 54.221 54.000 0.026 0.000 0.759 290 D CB 1.761 42.575 40.800 0.022 0.000 1.279 290 D HN 0.469 nan 8.370 nan 0.000 0.420 291 V N -0.735 119.197 119.914 0.030 0.000 5.994 291 V HA 0.510 4.630 4.120 -0.000 0.000 0.290 291 V C -0.724 175.384 176.094 0.023 0.000 1.597 291 V CA -0.601 61.718 62.300 0.032 0.000 0.696 291 V CB 1.073 32.924 31.823 0.047 0.000 1.436 291 V HN 0.463 nan 8.190 nan 0.000 0.409 292 D N 0.140 120.554 120.400 0.023 0.000 2.181 292 D HA 0.434 5.074 4.640 -0.000 0.000 0.248 292 D C -0.406 175.893 176.300 -0.002 0.000 1.020 292 D CA -0.366 53.637 54.000 0.005 0.000 0.891 292 D CB 1.799 42.593 40.800 -0.010 0.000 1.187 292 D HN 0.557 nan 8.370 nan 0.000 0.443 293 I N 1.169 121.732 120.570 -0.011 0.000 2.892 293 I HA 0.128 4.298 4.170 -0.000 0.000 0.287 293 I C -0.752 175.342 176.117 -0.039 0.000 1.205 293 I CA 0.358 61.649 61.300 -0.015 0.000 1.409 293 I CB 0.381 38.373 38.000 -0.012 0.000 1.367 293 I HN 0.296 nan 8.210 nan 0.000 0.597 294 E N 3.779 123.955 120.200 -0.041 0.000 2.506 294 E HA 0.284 4.634 4.350 -0.000 0.000 0.308 294 E C -1.373 175.190 176.600 -0.062 0.000 0.931 294 E CA -0.454 55.902 56.400 -0.074 0.000 0.800 294 E CB 1.932 31.567 29.700 -0.107 0.000 1.292 294 E HN 0.537 nan 8.360 nan 0.000 0.401 295 T N 3.195 117.709 114.554 -0.067 0.000 3.630 295 T HA 0.256 4.606 4.350 -0.000 0.000 0.238 295 T C -2.159 172.481 174.700 -0.101 0.000 1.195 295 T CA -0.875 61.195 62.100 -0.051 0.000 1.433 295 T CB 0.216 69.078 68.868 -0.009 0.000 0.940 295 T HN 0.264 nan 8.240 nan 0.000 0.641 296 P HA 0.211 nan 4.420 nan 0.000 0.298 296 P C 0.916 178.042 177.300 -0.289 0.000 1.367 296 P CA 0.163 63.145 63.100 -0.197 0.000 0.821 296 P CB 0.319 31.936 31.700 -0.138 0.000 2.025 297 D N -0.068 120.208 120.400 -0.207 0.000 2.417 297 D HA -0.088 4.552 4.640 -0.000 0.000 0.225 297 D C 0.182 176.359 176.300 -0.204 0.000 0.983 297 D CA 0.667 54.547 54.000 -0.200 0.000 0.949 297 D CB -1.413 39.346 40.800 -0.069 0.000 0.879 297 D HN 0.315 nan 8.370 nan 0.000 0.520 298 T N -2.067 112.364 114.554 -0.205 0.000 2.753 298 T HA 0.466 4.816 4.350 -0.000 0.000 0.297 298 T C -0.566 174.159 174.700 0.042 0.000 0.981 298 T CA -0.745 61.365 62.100 0.016 0.000 0.956 298 T CB 1.055 69.932 68.868 0.016 0.000 0.936 298 T HN 0.175 nan 8.240 nan 0.000 0.463 299 H N 1.605 120.764 119.070 0.149 0.000 2.834 299 H HA 0.603 5.159 4.556 -0.000 0.000 0.369 299 H C -0.253 175.126 175.328 0.085 0.000 1.174 299 H CA -1.583 54.510 56.048 0.075 0.000 1.165 299 H CB 1.634 31.426 29.762 0.050 0.000 1.820 299 H HN 0.502 nan 8.280 nan 0.000 0.558 300 I N 0.407 121.080 120.570 0.172 0.000 2.460 300 I HA 0.239 4.409 4.170 -0.000 0.000 0.298 300 I C 0.790 176.941 176.117 0.057 0.000 0.989 300 I CA -0.310 61.050 61.300 0.099 0.000 1.173 300 I CB 1.281 39.321 38.000 0.066 0.000 1.338 300 I HN 0.545 nan 8.210 nan 0.000 0.456 301 S N 3.776 119.516 115.700 0.068 0.000 2.349 301 S HA 0.032 4.502 4.470 -0.000 0.000 0.167 301 S C 0.448 175.081 174.600 0.055 0.000 1.027 301 S CA 0.243 58.480 58.200 0.062 0.000 1.284 301 S CB -0.318 62.929 63.200 0.079 0.000 0.774 301 S HN 0.602 nan 8.310 nan 0.000 0.448 302 Y N 3.292 123.597 120.300 0.008 0.000 2.641 302 Y HA 0.191 4.741 4.550 -0.000 0.000 0.338 302 Y C 0.119 176.021 175.900 0.002 0.000 1.203 302 Y CA -0.262 57.842 58.100 0.006 0.000 1.954 302 Y CB -0.396 38.067 38.460 0.004 0.000 1.960 302 Y HN 0.213 nan 8.280 nan 0.000 0.417 303 M N 7.722 127.168 119.600 -0.256 0.000 2.251 303 M HA 0.161 4.641 4.480 -0.000 0.000 0.346 303 M C -2.011 174.063 176.300 -0.376 0.000 1.499 303 M CA -2.954 52.227 55.300 -0.198 0.000 1.128 303 M CB 0.665 33.178 32.600 -0.145 0.000 1.809 303 M HN 0.259 nan 8.290 nan 0.000 0.464 304 P HA 0.133 nan 4.420 nan 0.000 0.249 304 P C -0.724 176.525 177.300 -0.086 0.000 1.229 304 P CA 0.516 63.535 63.100 -0.134 0.000 0.788 304 P CB 0.263 32.060 31.700 0.161 0.000 1.072 305 T N -1.773 112.728 114.554 -0.089 0.000 2.687 305 T HA 0.267 4.617 4.350 -0.000 0.000 0.267 305 T C -0.461 174.208 174.700 -0.053 0.000 2.031 305 T CA -0.534 61.530 62.100 -0.061 0.000 0.933 305 T CB 0.057 68.904 68.868 -0.034 0.000 2.211 305 T HN -0.006 nan 8.240 nan 0.000 0.397 306 I N -0.901 119.647 120.570 -0.036 0.000 2.944 306 I HA 0.479 4.649 4.170 -0.000 0.000 0.330 306 I C 0.000 176.105 176.117 -0.020 0.000 1.482 306 I CA -1.068 60.215 61.300 -0.030 0.000 0.880 306 I CB 0.105 38.088 38.000 -0.029 0.000 1.728 306 I HN 0.539 nan 8.210 nan 0.000 0.561 307 K N 1.077 121.466 120.400 -0.018 0.000 2.706 307 K HA 0.361 4.681 4.320 -0.000 0.000 0.290 307 K C 0.145 176.742 176.600 -0.006 0.000 1.063 307 K CA -0.211 56.069 56.287 -0.011 0.000 0.967 307 K CB 0.113 32.606 32.500 -0.011 0.000 1.157 307 K HN 0.212 nan 8.250 nan 0.000 0.476 308 E N -1.000 119.200 120.200 0.000 0.000 3.626 308 E HA 0.276 4.626 4.350 -0.000 0.000 0.245 308 E C -0.256 176.350 176.600 0.010 0.000 1.236 308 E CA 0.359 56.761 56.400 0.004 0.000 1.072 308 E CB 0.425 30.128 29.700 0.004 0.000 1.309 308 E HN 0.776 nan 8.360 nan 0.000 0.400 309 G N 1.992 110.798 108.800 0.011 0.000 2.134 309 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.225 309 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.225 309 G C -0.529 174.386 174.900 0.025 0.000 1.944 309 G CA -0.132 44.980 45.100 0.019 0.000 1.512 309 G HN 0.479 nan 8.290 nan 0.000 0.493 310 N N 0.398 119.118 118.700 0.033 0.000 2.774 310 N HA 0.788 5.528 4.740 -0.000 0.000 0.264 310 N C -0.095 175.438 175.510 0.039 0.000 1.415 310 N CA 0.483 53.559 53.050 0.045 0.000 0.815 310 N CB 1.827 40.358 38.487 0.073 0.000 1.514 310 N HN 1.678 nan 8.380 nan 0.000 0.523 311 S N -0.788 114.932 115.700 0.032 0.000 2.928 311 S HA 0.285 4.755 4.470 -0.000 0.000 0.297 311 S C -1.418 173.050 174.600 -0.220 0.000 1.251 311 S CA -0.820 57.363 58.200 -0.028 0.000 1.189 311 S CB 0.487 63.645 63.200 -0.070 0.000 1.392 311 S HN 0.731 nan 8.310 nan 0.000 0.485 312 R N 1.531 121.693 120.500 -0.564 0.000 3.863 312 R HA 0.558 4.898 4.340 -0.000 0.000 0.304 312 R C 0.463 176.247 176.300 -0.860 0.000 1.485 312 R CA 0.180 55.451 56.100 -1.382 0.000 1.355 312 R CB -0.467 28.935 30.300 -1.495 0.000 1.457 312 R HN 0.811 nan 8.270 nan 0.000 0.669 313 E N 0.477 120.381 120.200 -0.492 0.000 2.068 313 E HA -0.059 4.291 4.350 -0.000 0.000 0.172 313 E C -0.093 176.459 176.600 -0.081 0.000 0.875 313 E CA -0.118 56.135 56.400 -0.247 0.000 1.299 313 E CB -0.583 29.018 29.700 -0.165 0.000 2.459 313 E HN 0.367 nan 8.360 nan 0.000 0.729 314 L N 1.967 123.154 121.223 -0.060 0.000 2.873 314 L HA 0.309 4.649 4.340 -0.000 0.000 0.252 314 L C 1.152 178.057 176.870 0.058 0.000 1.266 314 L CA 0.391 55.246 54.840 0.024 0.000 1.111 314 L CB -0.817 41.255 42.059 0.023 0.000 1.440 314 L HN 0.190 nan 8.230 nan 0.000 0.427 315 M N -1.931 117.701 119.600 0.052 0.000 2.268 315 M HA 0.312 4.792 4.480 -0.000 0.000 0.355 315 M C 1.044 177.380 176.300 0.060 0.000 0.938 315 M CA 0.064 55.412 55.300 0.080 0.000 1.025 315 M CB 0.786 33.460 32.600 0.125 0.000 1.773 315 M HN 0.021 nan 8.290 nan 0.000 0.613 316 G N 1.540 110.361 108.800 0.035 0.000 4.420 316 G HA2 0.569 4.529 3.960 -0.000 0.000 0.299 316 G HA3 0.569 4.529 3.960 -0.000 0.000 0.299 316 G C -0.508 174.393 174.900 0.002 0.000 1.343 316 G CA -0.257 44.831 45.100 -0.021 0.000 1.272 316 G HN 0.407 nan 8.290 nan 0.000 0.610 317 Q N -0.401 119.445 119.800 0.076 0.000 2.495 317 Q HA 0.474 4.814 4.340 -0.000 0.000 0.287 317 Q C -0.364 175.682 176.000 0.077 0.000 1.078 317 Q CA -1.050 54.833 55.803 0.134 0.000 0.793 317 Q CB 1.464 30.319 28.738 0.195 0.000 1.459 317 Q HN 0.017 nan 8.270 nan 0.000 0.422 318 Q N 0.273 120.117 119.800 0.074 0.000 2.442 318 Q HA 0.541 4.881 4.340 -0.000 0.000 0.175 318 Q C -0.552 175.461 176.000 0.021 0.000 1.096 318 Q CA -0.091 55.725 55.803 0.022 0.000 1.009 318 Q CB 0.651 29.397 28.738 0.012 0.000 2.678 318 Q HN 0.712 nan 8.270 nan 0.000 0.509 319 S N -0.186 115.500 115.700 -0.024 0.000 2.584 319 S HA 0.415 4.885 4.470 -0.000 0.000 0.280 319 S C -0.901 173.705 174.600 0.010 0.000 1.162 319 S CA -0.614 57.589 58.200 0.006 0.000 0.951 319 S CB 1.149 64.267 63.200 -0.135 0.000 1.108 319 S HN 0.458 nan 8.310 nan 0.000 0.464 320 M N 3.882 123.595 119.600 0.190 0.000 2.227 320 M HA 0.469 4.949 4.480 -0.000 0.000 0.335 320 M C -2.856 173.600 176.300 0.261 0.000 1.053 320 M CA -2.040 53.392 55.300 0.219 0.000 0.973 320 M CB 2.006 34.753 32.600 0.246 0.000 1.623 320 M HN 0.276 nan 8.290 nan 0.000 0.434 321 P HA 0.215 nan 4.420 nan 0.000 0.286 321 P C -1.262 176.067 177.300 0.047 0.000 1.261 321 P CA -0.510 62.701 63.100 0.185 0.000 0.821 321 P CB 0.549 32.416 31.700 0.279 0.000 1.013 322 N N 1.910 120.550 118.700 -0.101 0.000 2.416 322 N HA 0.054 4.794 4.740 -0.000 0.000 0.246 322 N C 0.257 175.722 175.510 -0.075 0.000 1.260 322 N CA 0.108 53.093 53.050 -0.107 0.000 0.897 322 N CB 0.354 38.701 38.487 -0.232 0.000 1.110 322 N HN 0.290 nan 8.380 nan 0.000 0.439 323 R N 1.893 122.373 120.500 -0.032 0.000 2.296 323 R HA 0.115 4.455 4.340 -0.000 0.000 0.323 323 R C -1.783 174.395 176.300 -0.205 0.000 1.067 323 R CA -1.109 54.935 56.100 -0.093 0.000 0.946 323 R CB 0.242 30.488 30.300 -0.089 0.000 0.991 323 R HN 0.352 nan 8.270 nan 0.000 0.448 324 P HA -0.253 nan 4.420 nan 0.000 0.131 324 P C -0.678 176.194 177.300 -0.714 0.000 1.013 324 P CA 0.716 63.489 63.100 -0.544 0.000 1.080 324 P CB -0.431 30.973 31.700 -0.494 0.000 1.587 325 N N 0.953 119.338 118.700 -0.526 0.000 2.371 325 N HA 0.095 4.835 4.740 -0.000 0.000 0.243 325 N C -0.793 174.380 175.510 -0.563 0.000 1.287 325 N CA -0.178 52.659 53.050 -0.355 0.000 0.911 325 N CB 0.310 38.733 38.487 -0.107 0.000 1.142 325 N HN 0.042 nan 8.380 nan 0.000 0.451 326 Y N 1.036 121.420 120.300 0.140 0.000 2.406 326 Y HA 0.447 4.997 4.550 -0.000 0.000 0.340 326 Y C -0.393 175.531 175.900 0.039 0.000 0.975 326 Y CA -0.802 57.417 58.100 0.199 0.000 1.056 326 Y CB 1.422 39.942 38.460 0.099 0.000 1.210 326 Y HN 0.260 nan 8.280 nan 0.000 0.448 327 I N 3.352 123.920 120.570 -0.003 0.000 2.411 327 I HA 0.781 4.951 4.170 -0.000 0.000 0.284 327 I C -0.021 175.925 176.117 -0.286 0.000 1.012 327 I CA -0.387 60.774 61.300 -0.232 0.000 1.119 327 I CB 0.629 38.337 38.000 -0.486 0.000 1.261 327 I HN 0.779 nan 8.210 nan 0.000 0.448 328 A N 5.800 128.515 122.820 -0.175 0.000 3.251 328 A HA 0.862 5.182 4.320 -0.000 0.000 0.303 328 A C -1.912 175.682 177.584 0.016 0.000 1.144 328 A CA -0.390 51.428 52.037 -0.365 0.000 0.606 328 A CB 1.076 19.821 19.000 -0.424 0.000 1.494 328 A HN 0.244 nan 8.150 nan 0.000 0.653 329 F N 1.156 121.073 119.950 -0.054 0.000 2.482 329 F HA 0.516 5.043 4.527 -0.000 0.000 0.331 329 F C 0.822 176.663 175.800 0.068 0.000 1.115 329 F CA -1.429 56.566 58.000 -0.007 0.000 0.955 329 F CB 0.950 39.918 39.000 -0.052 0.000 1.136 329 F HN 0.447 nan 8.300 nan 0.000 0.452 330 R N 2.067 122.705 120.500 0.229 0.000 3.844 330 R HA -0.112 4.228 4.340 -0.000 0.000 0.267 330 R C -0.725 175.648 176.300 0.120 0.000 0.940 330 R CA 0.279 56.464 56.100 0.140 0.000 0.946 330 R CB -1.276 29.099 30.300 0.126 0.000 0.995 330 R HN 0.638 nan 8.270 nan 0.000 0.395 331 D N 1.592 122.030 120.400 0.064 0.000 7.888 331 D HA -0.252 4.388 4.640 -0.000 0.000 0.276 331 D C 0.841 177.140 176.300 -0.002 0.000 2.092 331 D CA 1.158 55.154 54.000 -0.006 0.000 1.946 331 D CB -0.038 40.725 40.800 -0.060 0.000 0.931 331 D HN 0.799 nan 8.370 nan 0.000 0.620 332 N N 1.473 120.149 118.700 -0.040 0.000 2.805 332 N HA -0.311 4.429 4.740 -0.000 0.000 0.216 332 N C 0.686 176.175 175.510 -0.035 0.000 0.930 332 N CA 1.948 54.962 53.050 -0.061 0.000 1.376 332 N CB -0.697 37.627 38.487 -0.273 0.000 0.939 332 N HN 0.510 nan 8.380 nan 0.000 0.583 333 F N -1.911 118.113 119.950 0.124 0.000 1.241 333 F HA 0.056 4.583 4.527 -0.000 0.000 0.382 333 F C 0.344 176.205 175.800 0.102 0.000 0.507 333 F CA 0.147 58.255 58.000 0.179 0.000 2.594 333 F CB -1.415 37.703 39.000 0.197 0.000 3.501 333 F HN 0.016 nan 8.300 nan 0.000 0.210 334 I N 1.773 122.484 120.570 0.234 0.000 3.383 334 I HA 0.036 4.206 4.170 -0.000 0.000 0.345 334 I C 1.309 177.535 176.117 0.181 0.000 1.097 334 I CA 2.177 63.592 61.300 0.191 0.000 1.828 334 I CB -0.504 37.583 38.000 0.146 0.000 1.148 334 I HN 0.652 nan 8.210 nan 0.000 0.428 335 G N 4.795 113.707 108.800 0.186 0.000 2.325 335 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.248 335 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.248 335 G C 0.086 175.021 174.900 0.059 0.000 1.108 335 G CA 0.042 45.227 45.100 0.142 0.000 0.881 335 G HN 0.731 nan 8.290 nan 0.000 0.494 336 L N -1.888 119.338 121.223 0.004 0.000 2.781 336 L HA 0.604 4.944 4.340 -0.000 0.000 0.245 336 L C 1.177 177.902 176.870 -0.243 0.000 1.118 336 L CA 0.387 55.166 54.840 -0.101 0.000 0.918 336 L CB -0.034 41.947 42.059 -0.129 0.000 1.246 336 L HN 0.532 nan 8.230 nan 0.000 0.526 337 M N -0.865 118.587 119.600 -0.246 0.000 2.190 337 M HA 0.458 4.938 4.480 -0.000 0.000 0.312 337 M C -1.297 175.125 176.300 0.204 0.000 0.990 337 M CA -0.815 54.315 55.300 -0.284 0.000 0.927 337 M CB 1.518 33.672 32.600 -0.743 0.000 1.571 337 M HN -0.116 nan 8.290 nan 0.000 0.427 338 Y N 3.694 124.111 120.300 0.195 0.000 2.805 338 Y HA -0.088 4.462 4.550 -0.000 0.000 0.390 338 Y C -1.036 174.846 175.900 -0.030 0.000 1.359 338 Y CA 1.429 59.544 58.100 0.026 0.000 1.748 338 Y CB -0.841 37.524 38.460 -0.159 0.000 1.211 338 Y HN 0.532 nan 8.280 nan 0.000 0.500 339 Y N 2.205 122.740 120.300 0.392 0.000 2.587 339 Y HA 0.270 4.820 4.550 -0.000 0.000 0.337 339 Y C 1.161 177.175 175.900 0.191 0.000 1.065 339 Y CA -1.660 56.620 58.100 0.300 0.000 1.126 339 Y CB 1.205 39.828 38.460 0.270 0.000 1.279 339 Y HN 0.699 nan 8.280 nan 0.000 0.489 340 N N -1.124 117.810 118.700 0.391 0.000 2.889 340 N HA -0.268 4.472 4.740 -0.000 0.000 0.234 340 N C -0.087 175.491 175.510 0.113 0.000 0.915 340 N CA 0.894 54.064 53.050 0.201 0.000 1.025 340 N CB -0.837 37.762 38.487 0.187 0.000 1.073 340 N HN 0.336 nan 8.380 nan 0.000 0.613 341 S N 0.741 116.501 115.700 0.101 0.000 2.515 341 S HA 0.119 4.589 4.470 -0.000 0.000 0.285 341 S C 1.449 175.967 174.600 -0.136 0.000 1.265 341 S CA 0.296 58.451 58.200 -0.075 0.000 1.079 341 S CB 0.776 63.760 63.200 -0.361 0.000 0.877 341 S HN 0.221 nan 8.310 nan 0.000 0.493 342 T N 5.674 120.158 114.554 -0.117 0.000 2.276 342 T HA -0.148 4.202 4.350 -0.000 0.000 0.218 342 T C 1.827 176.445 174.700 -0.137 0.000 1.547 342 T CA 1.722 63.760 62.100 -0.103 0.000 1.225 342 T CB -1.173 67.644 68.868 -0.085 0.000 0.864 342 T HN 0.828 nan 8.240 nan 0.000 0.391 343 G N 2.327 111.036 108.800 -0.151 0.000 2.426 343 G HA2 0.023 3.983 3.960 -0.000 0.000 0.214 343 G HA3 0.023 3.983 3.960 -0.000 0.000 0.214 343 G C 0.494 175.277 174.900 -0.196 0.000 1.156 343 G CA 0.080 45.092 45.100 -0.147 0.000 0.802 343 G HN 0.794 nan 8.290 nan 0.000 0.534 344 N N -0.723 117.820 118.700 -0.262 0.000 2.408 344 N HA 0.525 5.265 4.740 -0.000 0.000 0.280 344 N C 0.315 175.532 175.510 -0.489 0.000 1.002 344 N CA -0.393 52.469 53.050 -0.313 0.000 0.907 344 N CB 1.707 40.043 38.487 -0.252 0.000 1.161 344 N HN 0.271 nan 8.380 nan 0.000 0.488 345 M N 0.650 119.923 119.600 -0.546 0.000 1.433 345 M HA 0.172 4.652 4.480 -0.000 0.000 0.192 345 M C -1.194 174.172 176.300 -1.556 0.000 0.876 345 M CA 0.332 55.153 55.300 -0.800 0.000 0.771 345 M CB 0.418 32.645 32.600 -0.622 0.000 1.734 345 M HN 0.615 nan 8.290 nan 0.000 0.676 346 G N 1.808 109.936 108.800 -1.120 0.000 2.503 346 G HA2 0.472 4.432 3.960 -0.000 0.000 0.305 346 G HA3 0.472 4.432 3.960 -0.000 0.000 0.305 346 G C -1.980 172.749 174.900 -0.285 0.000 1.575 346 G CA 0.109 44.662 45.100 -0.913 0.000 0.890 346 G HN 0.934 nan 8.290 nan 0.000 0.612 347 V N 3.527 123.429 119.914 -0.019 0.000 2.567 347 V HA 0.804 4.924 4.120 -0.000 0.000 0.298 347 V C -0.651 175.518 176.094 0.125 0.000 1.047 347 V CA -0.677 61.641 62.300 0.031 0.000 0.880 347 V CB 1.008 32.820 31.823 -0.018 0.000 1.009 347 V HN 1.168 nan 8.190 nan 0.000 0.429 348 L N 6.380 127.684 121.223 0.134 0.000 2.657 348 L HA 1.052 5.392 4.340 -0.000 0.000 0.240 348 L C 0.463 177.400 176.870 0.111 0.000 1.151 348 L CA 0.683 55.609 54.840 0.143 0.000 0.831 348 L CB 1.748 43.885 42.059 0.129 0.000 1.539 348 L HN 1.869 nan 8.230 nan 0.000 0.511 349 A N 0.799 123.692 122.820 0.121 0.000 1.756 349 A HA 0.412 4.732 4.320 -0.000 0.000 0.234 349 A C 0.253 177.917 177.584 0.133 0.000 2.828 349 A CA -0.316 51.789 52.037 0.114 0.000 2.176 349 A CB -2.192 16.855 19.000 0.078 0.000 0.257 349 A HN 1.612 nan 8.150 nan 0.000 0.984 350 G N 1.073 110.021 108.800 0.247 0.000 2.886 350 G HA2 0.010 3.970 3.960 -0.000 0.000 0.276 350 G HA3 0.010 3.970 3.960 -0.000 0.000 0.276 350 G C 0.697 175.601 174.900 0.007 0.000 0.382 350 G CA 0.660 45.920 45.100 0.267 0.000 1.168 350 G HN 0.923 nan 8.290 nan 0.000 0.205 351 Q N 1.398 121.167 119.800 -0.051 0.000 2.561 351 Q HA -0.072 4.268 4.340 -0.000 0.000 0.217 351 Q C 2.204 178.130 176.000 -0.122 0.000 0.980 351 Q CA 1.061 56.824 55.803 -0.067 0.000 0.927 351 Q CB -0.015 28.686 28.738 -0.061 0.000 0.980 351 Q HN 0.737 nan 8.270 nan 0.000 0.525 352 A N -0.251 122.447 122.820 -0.204 0.000 2.383 352 A HA 0.119 4.439 4.320 -0.000 0.000 0.225 352 A C 1.058 178.585 177.584 -0.095 0.000 1.946 352 A CA 0.063 51.984 52.037 -0.194 0.000 0.739 352 A CB -0.038 18.762 19.000 -0.333 0.000 1.405 352 A HN 0.142 nan 8.150 nan 0.000 0.548 353 S N 1.583 117.243 115.700 -0.067 0.000 3.489 353 S HA 0.172 4.642 4.470 -0.000 0.000 0.227 353 S C 0.038 174.652 174.600 0.023 0.000 1.360 353 S CA -0.356 57.838 58.200 -0.010 0.000 0.934 353 S CB -0.081 63.124 63.200 0.009 0.000 1.410 353 S HN 0.398 nan 8.310 nan 0.000 0.483 354 Q N 3.215 123.025 119.800 0.016 0.000 3.178 354 Q HA -0.112 4.228 4.340 -0.000 0.000 0.340 354 Q C -1.023 175.004 176.000 0.046 0.000 1.183 354 Q CA 0.770 56.593 55.803 0.034 0.000 1.188 354 Q CB -0.353 28.396 28.738 0.019 0.000 1.043 354 Q HN 0.472 nan 8.270 nan 0.000 0.438 355 L N 4.821 126.085 121.223 0.069 0.000 2.372 355 L HA 0.276 4.616 4.340 -0.000 0.000 0.273 355 L C -0.383 176.540 176.870 0.088 0.000 0.989 355 L CA -0.647 54.239 54.840 0.075 0.000 0.841 355 L CB 1.466 43.574 42.059 0.082 0.000 1.225 355 L HN 0.458 nan 8.230 nan 0.000 0.414 356 N N 3.221 121.973 118.700 0.086 0.000 2.394 356 N HA 0.064 4.804 4.740 -0.000 0.000 0.282 356 N C 0.661 176.256 175.510 0.142 0.000 1.351 356 N CA 0.537 53.647 53.050 0.100 0.000 0.936 356 N CB 0.726 39.266 38.487 0.089 0.000 1.274 356 N HN 0.654 nan 8.380 nan 0.000 0.489 357 A N 2.576 125.471 122.820 0.126 0.000 2.470 357 A HA 0.217 4.537 4.320 -0.000 0.000 0.251 357 A C -0.218 177.449 177.584 0.139 0.000 1.245 357 A CA -0.268 51.842 52.037 0.121 0.000 0.932 357 A CB 0.169 19.218 19.000 0.081 0.000 1.037 357 A HN 0.360 nan 8.150 nan 0.000 0.522 358 V N -1.269 118.724 119.914 0.131 0.000 2.444 358 V HA 0.807 4.927 4.120 -0.000 0.000 0.294 358 V C -0.904 175.233 176.094 0.071 0.000 1.022 358 V CA -0.822 61.530 62.300 0.087 0.000 0.850 358 V CB 0.936 32.801 31.823 0.070 0.000 0.992 358 V HN 0.059 nan 8.190 nan 0.000 0.426 359 V N 3.196 123.140 119.914 0.049 0.000 2.852 359 V HA 0.594 4.714 4.120 -0.000 0.000 0.300 359 V C -1.518 174.568 176.094 -0.013 0.000 1.205 359 V CA -0.272 62.030 62.300 0.003 0.000 0.940 359 V CB 1.975 33.768 31.823 -0.049 0.000 1.047 359 V HN 1.016 nan 8.190 nan 0.000 0.429 360 D N 2.842 123.233 120.400 -0.015 0.000 2.896 360 D HA 0.653 5.293 4.640 -0.000 0.000 0.241 360 D C -1.002 175.309 176.300 0.018 0.000 1.188 360 D CA -0.240 53.774 54.000 0.023 0.000 0.879 360 D CB 2.752 43.602 40.800 0.082 0.000 1.553 360 D HN 0.391 nan 8.370 nan 0.000 0.515 361 L N 2.190 123.433 121.223 0.035 0.000 2.544 361 L HA 0.334 4.674 4.340 -0.000 0.000 0.256 361 L C 2.071 178.962 176.870 0.036 0.000 1.097 361 L CA -0.139 54.715 54.840 0.023 0.000 0.812 361 L CB 0.823 42.900 42.059 0.031 0.000 1.440 361 L HN 0.422 nan 8.230 nan 0.000 0.496 362 Q N -0.518 119.299 119.800 0.028 0.000 1.890 362 Q HA -0.071 4.269 4.340 -0.000 0.000 0.208 362 Q C -0.376 175.647 176.000 0.038 0.000 0.982 362 Q CA 0.938 56.759 55.803 0.030 0.000 0.856 362 Q CB -0.524 28.226 28.738 0.019 0.000 0.915 362 Q HN 0.524 nan 8.270 nan 0.000 0.427 363 D N 2.644 123.060 120.400 0.026 0.000 2.612 363 D HA -0.040 4.600 4.640 -0.000 0.000 0.260 363 D C 0.112 176.431 176.300 0.031 0.000 1.315 363 D CA 0.749 54.754 54.000 0.008 0.000 1.376 363 D CB -0.247 40.523 40.800 -0.050 0.000 1.147 363 D HN 0.216 nan 8.370 nan 0.000 0.521 364 R N 1.475 122.018 120.500 0.072 0.000 3.466 364 R HA 0.059 4.399 4.340 -0.000 0.000 0.262 364 R C -2.224 174.162 176.300 0.143 0.000 0.997 364 R CA -0.705 55.461 56.100 0.110 0.000 0.978 364 R CB 0.790 31.159 30.300 0.114 0.000 1.256 364 R HN 0.098 nan 8.270 nan 0.000 0.536 365 N N 1.007 119.807 118.700 0.168 0.000 2.443 365 N HA 0.339 5.079 4.740 -0.000 0.000 0.269 365 N C -0.218 175.328 175.510 0.060 0.000 0.985 365 N CA -0.073 53.080 53.050 0.172 0.000 0.921 365 N CB 2.101 40.738 38.487 0.250 0.000 1.195 365 N HN 0.527 nan 8.380 nan 0.000 0.492 366 T N 1.547 116.069 114.554 -0.054 0.000 2.904 366 T HA -0.014 4.336 4.350 -0.000 0.000 0.243 366 T C -0.068 174.432 174.700 -0.333 0.000 1.024 366 T CA 0.658 62.606 62.100 -0.253 0.000 1.158 366 T CB -0.042 68.477 68.868 -0.582 0.000 0.867 366 T HN 0.630 nan 8.240 nan 0.000 0.429 367 E N 1.871 121.881 120.200 -0.317 0.000 1.852 367 E HA 0.340 4.690 4.350 -0.000 0.000 0.276 367 E C -0.133 176.303 176.600 -0.272 0.000 1.163 367 E CA 0.011 56.226 56.400 -0.308 0.000 1.117 367 E CB 0.410 30.117 29.700 0.012 0.000 1.124 367 E HN 0.158 nan 8.360 nan 0.000 0.458 368 L N 1.268 122.220 121.223 -0.451 0.000 3.760 368 L HA -0.007 4.333 4.340 -0.000 0.000 0.405 368 L C 1.355 178.151 176.870 -0.123 0.000 0.943 368 L CA 0.674 55.396 54.840 -0.196 0.000 1.739 368 L CB -0.417 41.552 42.059 -0.150 0.000 2.459 368 L HN 0.330 nan 8.230 nan 0.000 0.586 369 S N -0.211 115.396 115.700 -0.156 0.000 2.626 369 S HA -0.108 4.362 4.470 -0.000 0.000 0.245 369 S C 1.445 176.068 174.600 0.038 0.000 0.973 369 S CA 0.507 58.687 58.200 -0.032 0.000 0.959 369 S CB -0.457 62.739 63.200 -0.007 0.000 0.762 369 S HN 0.350 nan 8.310 nan 0.000 0.539 370 Y N 2.254 122.554 120.300 0.000 0.000 1.479 370 Y HA -0.319 4.231 4.550 -0.000 0.000 0.102 370 Y C 2.589 178.516 175.900 0.045 0.000 0.644 370 Y CA 2.052 60.156 58.100 0.007 0.000 0.419 370 Y CB -1.188 37.276 38.460 0.005 0.000 0.601 370 Y HN 0.300 nan 8.280 nan 0.000 0.776 371 Q N 0.091 120.073 119.800 0.304 0.000 2.146 371 Q HA -0.275 4.065 4.340 -0.000 0.000 0.217 371 Q C 2.044 178.209 176.000 0.275 0.000 1.023 371 Q CA 2.404 58.331 55.803 0.206 0.000 0.903 371 Q CB -1.614 27.230 28.738 0.177 0.000 0.990 371 Q HN 0.775 nan 8.270 nan 0.000 0.413 372 L N -1.880 119.553 121.223 0.350 0.000 2.784 372 L HA -0.004 4.336 4.340 -0.000 0.000 0.247 372 L C 1.362 178.398 176.870 0.276 0.000 1.162 372 L CA 0.910 55.996 54.840 0.409 0.000 0.881 372 L CB -0.297 41.864 42.059 0.171 0.000 1.032 372 L HN 0.055 nan 8.230 nan 0.000 0.446 373 L N -1.151 120.158 121.223 0.144 0.000 2.614 373 L HA 0.154 4.494 4.340 -0.000 0.000 0.185 373 L C 2.101 178.965 176.870 -0.010 0.000 1.098 373 L CA 0.135 54.955 54.840 -0.034 0.000 0.852 373 L CB -0.498 41.522 42.059 -0.065 0.000 1.213 373 L HN 0.202 nan 8.230 nan 0.000 0.491 374 L N -0.339 120.911 121.223 0.046 0.000 2.551 374 L HA -0.122 4.218 4.340 -0.000 0.000 0.230 374 L C 0.855 177.751 176.870 0.043 0.000 1.163 374 L CA 1.165 56.033 54.840 0.047 0.000 0.826 374 L CB -1.028 41.087 42.059 0.092 0.000 0.943 374 L HN 0.354 nan 8.230 nan 0.000 0.452 375 D N -0.759 119.684 120.400 0.071 0.000 2.615 375 D HA 0.086 4.726 4.640 -0.000 0.000 0.236 375 D C 1.315 177.691 176.300 0.127 0.000 1.233 375 D CA -0.016 54.037 54.000 0.088 0.000 0.829 375 D CB 0.584 41.460 40.800 0.127 0.000 1.024 375 D HN 0.048 nan 8.370 nan 0.000 0.490 376 S N -0.377 115.355 115.700 0.053 0.000 2.339 376 S HA 0.217 4.687 4.470 -0.000 0.000 0.213 376 S C 1.024 175.658 174.600 0.057 0.000 1.033 376 S CA 0.263 58.482 58.200 0.031 0.000 0.950 376 S CB 0.202 63.319 63.200 -0.140 0.000 0.893 376 S HN 0.434 nan 8.310 nan 0.000 0.492 377 I N 1.144 121.730 120.570 0.027 0.000 2.833 377 I HA 0.696 4.866 4.170 -0.000 0.000 0.286 377 I C 0.080 176.217 176.117 0.034 0.000 1.287 377 I CA -0.599 60.723 61.300 0.036 0.000 1.046 377 I CB 0.740 38.757 38.000 0.027 0.000 1.612 377 I HN 0.297 nan 8.210 nan 0.000 0.585 378 G N 1.892 110.714 108.800 0.037 0.000 2.322 378 G HA2 0.293 4.253 3.960 -0.000 0.000 0.295 378 G HA3 0.293 4.253 3.960 -0.000 0.000 0.295 378 G C -2.299 172.602 174.900 0.001 0.000 1.369 378 G CA -0.385 44.728 45.100 0.021 0.000 0.821 378 G HN 0.218 nan 8.290 nan 0.000 0.536 379 D N -1.156 119.224 120.400 -0.033 0.000 2.654 379 D HA 0.724 5.364 4.640 -0.000 0.000 0.255 379 D C 0.314 176.530 176.300 -0.141 0.000 1.101 379 D CA -0.547 53.402 54.000 -0.085 0.000 1.116 379 D CB 1.508 42.252 40.800 -0.094 0.000 1.348 379 D HN 0.438 nan 8.370 nan 0.000 0.609 380 R N -0.637 119.728 120.500 -0.224 0.000 2.569 380 R HA 0.250 4.590 4.340 -0.000 0.000 0.429 380 R C 0.060 176.038 176.300 -0.536 0.000 0.994 380 R CA -0.244 55.669 56.100 -0.311 0.000 1.089 380 R CB 0.210 30.365 30.300 -0.243 0.000 1.420 380 R HN 0.115 nan 8.270 nan 0.000 0.615 381 T N 1.005 115.207 114.554 -0.587 0.000 3.023 381 T HA 0.085 4.435 4.350 -0.000 0.000 0.249 381 T C 0.587 174.641 174.700 -1.077 0.000 1.050 381 T CA 0.388 62.068 62.100 -0.700 0.000 1.088 381 T CB 0.264 68.937 68.868 -0.326 0.000 0.946 381 T HN 0.272 nan 8.240 nan 0.000 0.480 382 R N 2.015 122.087 120.500 -0.713 0.000 2.423 382 R HA 0.445 4.785 4.340 -0.000 0.000 0.293 382 R C -0.891 175.210 176.300 -0.332 0.000 1.196 382 R CA -0.601 55.242 56.100 -0.427 0.000 1.262 382 R CB -0.120 30.066 30.300 -0.190 0.000 1.116 382 R HN 0.426 nan 8.270 nan 0.000 0.566 383 Y N 0.877 121.094 120.300 -0.138 0.000 2.565 383 Y HA 0.627 5.177 4.550 -0.000 0.000 0.325 383 Y C 0.198 176.035 175.900 -0.105 0.000 1.221 383 Y CA -1.740 56.244 58.100 -0.193 0.000 1.316 383 Y CB 0.669 38.943 38.460 -0.310 0.000 1.404 383 Y HN 0.326 nan 8.280 nan 0.000 0.527 384 F N -0.822 119.190 119.950 0.102 0.000 2.508 384 F HA 0.699 5.226 4.527 -0.000 0.000 0.325 384 F C 0.205 175.946 175.800 -0.098 0.000 1.090 384 F CA -0.968 57.021 58.000 -0.019 0.000 0.945 384 F CB 1.537 40.527 39.000 -0.015 0.000 1.156 384 F HN 0.591 nan 8.300 nan 0.000 0.463 385 S N 3.600 119.438 115.700 0.230 0.000 2.154 385 S HA -0.048 4.422 4.470 -0.000 0.000 0.154 385 S C 1.310 175.946 174.600 0.059 0.000 1.392 385 S CA 0.353 58.637 58.200 0.140 0.000 2.418 385 S CB -0.326 62.903 63.200 0.049 0.000 0.325 385 S HN 0.916 nan 8.310 nan 0.000 0.348 386 M N 0.902 120.353 119.600 -0.248 0.000 7.319 386 M HA -0.294 4.186 4.480 -0.000 0.000 0.317 386 M C 1.270 177.064 176.300 -0.843 0.000 0.480 386 M CA 2.298 57.180 55.300 -0.697 0.000 1.311 386 M CB -2.276 29.499 32.600 -1.374 0.000 0.422 386 M HN 0.747 nan 8.290 nan 0.000 0.779 387 W N 0.715 121.634 121.300 -0.635 0.000 2.333 387 W HA -0.078 4.582 4.660 -0.000 0.000 0.316 387 W C 1.120 177.091 176.519 -0.914 0.000 1.215 387 W CA 1.008 57.564 57.345 -1.315 0.000 1.278 387 W CB -0.305 28.796 29.460 -0.598 0.000 1.154 387 W HN 0.602 nan 8.180 nan 0.000 0.486 388 N N -0.822 118.013 118.700 0.225 0.000 5.634 388 N HA -0.164 4.576 4.740 -0.000 0.000 0.308 388 N C 0.213 175.513 175.510 -0.349 0.000 0.724 388 N CA 0.209 53.235 53.050 -0.039 0.000 0.889 388 N CB -1.603 36.843 38.487 -0.069 0.000 1.916 388 N HN 0.311 nan 8.380 nan 0.000 0.751 389 Q N 0.132 119.196 119.800 -1.227 0.000 2.515 389 Q HA 0.145 4.485 4.340 -0.000 0.000 0.212 389 Q C 0.514 176.189 176.000 -0.542 0.000 0.970 389 Q CA 0.516 55.537 55.803 -1.304 0.000 0.941 389 Q CB 0.092 27.580 28.738 -2.083 0.000 0.998 389 Q HN 0.506 nan 8.270 nan 0.000 0.518 390 A N 1.622 124.198 122.820 -0.406 0.000 2.666 390 A HA 0.019 4.339 4.320 -0.000 0.000 0.289 390 A C 1.350 178.815 177.584 -0.199 0.000 1.478 390 A CA 0.556 52.408 52.037 -0.308 0.000 1.079 390 A CB -0.962 17.883 19.000 -0.259 0.000 1.015 390 A HN 0.466 nan 8.150 nan 0.000 0.582 391 V N 1.944 121.810 119.914 -0.080 0.000 2.300 391 V HA -0.253 3.867 4.120 -0.000 0.000 0.234 391 V C 0.879 176.860 176.094 -0.188 0.000 0.981 391 V CA 2.658 64.889 62.300 -0.115 0.000 1.026 391 V CB -0.272 31.513 31.823 -0.062 0.000 0.678 391 V HN 0.905 nan 8.190 nan 0.000 0.503 392 D N -1.086 119.202 120.400 -0.186 0.000 4.523 392 D HA 0.120 4.760 4.640 -0.000 0.000 0.124 392 D C -0.305 175.958 176.300 -0.063 0.000 0.770 392 D CA 0.739 54.537 54.000 -0.336 0.000 0.788 392 D CB -0.803 39.553 40.800 -0.740 0.000 1.537 392 D HN 1.029 nan 8.370 nan 0.000 0.564 393 S N -1.049 114.667 115.700 0.026 0.000 2.713 393 S HA 0.765 5.235 4.470 -0.000 0.000 0.283 393 S C 0.227 174.854 174.600 0.045 0.000 1.161 393 S CA -0.110 58.192 58.200 0.170 0.000 0.999 393 S CB 1.924 65.188 63.200 0.107 0.000 1.039 393 S HN 0.072 nan 8.310 nan 0.000 0.548 394 Y N 0.353 120.661 120.300 0.012 0.000 2.518 394 Y HA 0.602 5.152 4.550 -0.000 0.000 0.150 394 Y C -0.344 175.516 175.900 -0.068 0.000 1.318 394 Y CA -0.254 57.800 58.100 -0.077 0.000 1.605 394 Y CB 0.239 38.620 38.460 -0.131 0.000 1.099 394 Y HN 0.716 nan 8.280 nan 0.000 0.380 395 D N -0.941 119.553 120.400 0.157 0.000 2.548 395 D HA 0.292 4.932 4.640 -0.000 0.000 0.214 395 D C -2.433 173.896 176.300 0.049 0.000 1.345 395 D CA -1.583 52.458 54.000 0.069 0.000 0.945 395 D CB 1.721 42.548 40.800 0.045 0.000 1.499 395 D HN -0.124 nan 8.370 nan 0.000 0.579 396 P HA -0.208 nan 4.420 nan 0.000 0.214 396 P C 0.958 178.288 177.300 0.051 0.000 1.164 396 P CA 1.036 64.150 63.100 0.023 0.000 0.942 396 P CB 0.173 31.890 31.700 0.028 0.000 0.791 397 D N -1.310 119.143 120.400 0.090 0.000 2.381 397 D HA -0.126 4.514 4.640 -0.000 0.000 0.212 397 D C 0.857 177.269 176.300 0.186 0.000 0.988 397 D CA 1.108 55.201 54.000 0.155 0.000 0.942 397 D CB 0.179 41.078 40.800 0.165 0.000 0.882 397 D HN 0.084 nan 8.370 nan 0.000 0.480 398 V N -0.959 119.023 119.914 0.115 0.000 3.432 398 V HA 0.057 4.177 4.120 -0.000 0.000 0.290 398 V C 1.137 177.204 176.094 -0.046 0.000 1.591 398 V CA -0.445 61.913 62.300 0.098 0.000 1.069 398 V CB 1.015 32.887 31.823 0.081 0.000 0.892 398 V HN -0.089 nan 8.190 nan 0.000 0.436 399 R N 2.676 123.114 120.500 -0.103 0.000 1.240 399 R HA 0.154 4.494 4.340 -0.000 0.000 0.091 399 R C 1.861 178.000 176.300 -0.269 0.000 0.586 399 R CA 1.704 57.615 56.100 -0.315 0.000 1.956 399 R CB -0.930 29.137 30.300 -0.388 0.000 0.524 399 R HN 0.327 nan 8.270 nan 0.000 0.749 400 I N 1.047 121.461 120.570 -0.260 0.000 2.908 400 I HA -0.065 4.105 4.170 -0.000 0.000 0.271 400 I C 0.049 176.123 176.117 -0.071 0.000 1.275 400 I CA 0.727 61.913 61.300 -0.190 0.000 1.446 400 I CB -0.928 36.967 38.000 -0.175 0.000 1.092 400 I HN 0.339 nan 8.210 nan 0.000 0.482 401 I N 0.376 120.931 120.570 -0.025 0.000 7.371 401 I HA -0.173 3.997 4.170 -0.000 0.000 0.126 401 I C 0.654 176.809 176.117 0.065 0.000 1.839 401 I CA 0.284 61.622 61.300 0.063 0.000 2.037 401 I CB -0.698 37.357 38.000 0.092 0.000 3.641 401 I HN 0.040 nan 8.210 nan 0.000 0.169 402 E N 3.910 124.160 120.200 0.082 0.000 2.502 402 E HA 0.049 4.399 4.350 -0.000 0.000 0.194 402 E C 0.992 177.606 176.600 0.024 0.000 1.062 402 E CA 0.158 56.607 56.400 0.081 0.000 0.867 402 E CB 0.025 29.820 29.700 0.158 0.000 0.888 402 E HN 0.574 nan 8.360 nan 0.000 0.510 403 N N 1.584 120.264 118.700 -0.033 0.000 2.584 403 N HA -0.261 4.479 4.740 -0.000 0.000 0.247 403 N C -0.135 175.281 175.510 -0.157 0.000 1.103 403 N CA 1.106 54.093 53.050 -0.105 0.000 0.769 403 N CB -1.158 37.318 38.487 -0.020 0.000 1.033 403 N HN 0.608 nan 8.380 nan 0.000 0.553 404 H N -1.518 117.514 119.070 -0.064 0.000 2.996 404 H HA 0.225 4.781 4.556 -0.000 0.000 0.285 404 H C 1.619 176.826 175.328 -0.203 0.000 1.092 404 H CA 0.609 56.596 56.048 -0.103 0.000 1.221 404 H CB -0.634 29.085 29.762 -0.071 0.000 1.277 404 H HN 0.384 nan 8.280 nan 0.000 0.668 405 G N 1.405 110.044 108.800 -0.268 0.000 2.557 405 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.292 405 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.292 405 G C 0.155 174.689 174.900 -0.610 0.000 1.162 405 G CA 1.324 46.240 45.100 -0.307 0.000 0.964 405 G HN 1.115 nan 8.290 nan 0.000 0.541 406 T N -2.733 111.534 114.554 -0.478 0.000 3.795 406 T HA 0.476 4.826 4.350 -0.000 0.000 0.215 406 T C 0.251 174.794 174.700 -0.262 0.000 0.588 406 T CA 0.766 62.487 62.100 -0.631 0.000 1.174 406 T CB 0.072 68.624 68.868 -0.527 0.000 1.136 406 T HN 1.396 nan 8.240 nan 0.000 0.538 407 E N 0.660 120.762 120.200 -0.163 0.000 2.448 407 E HA -0.160 4.190 4.350 -0.000 0.000 0.208 407 E C 0.248 176.818 176.600 -0.049 0.000 1.200 407 E CA 0.983 57.338 56.400 -0.075 0.000 0.963 407 E CB -0.729 28.943 29.700 -0.046 0.000 0.935 407 E HN 0.851 nan 8.360 nan 0.000 0.640 408 D N 0.966 121.332 120.400 -0.057 0.000 2.339 408 D HA 0.124 4.764 4.640 -0.000 0.000 0.241 408 D C -0.423 175.853 176.300 -0.040 0.000 1.183 408 D CA -0.470 53.512 54.000 -0.029 0.000 0.859 408 D CB 0.819 41.617 40.800 -0.004 0.000 1.067 408 D HN 0.085 nan 8.370 nan 0.000 0.484 409 E N 2.711 122.889 120.200 -0.037 0.000 4.071 409 E HA 0.199 4.549 4.350 -0.000 0.000 0.230 409 E C -1.030 175.543 176.600 -0.044 0.000 1.138 409 E CA -0.222 56.152 56.400 -0.044 0.000 1.388 409 E CB 0.523 30.201 29.700 -0.036 0.000 1.220 409 E HN 0.498 nan 8.360 nan 0.000 0.404 410 L N 2.210 123.401 121.223 -0.053 0.000 2.287 410 L HA 0.397 4.737 4.340 -0.000 0.000 0.280 410 L C -2.152 174.656 176.870 -0.103 0.000 1.055 410 L CA -1.874 52.934 54.840 -0.054 0.000 0.863 410 L CB 0.740 42.777 42.059 -0.036 0.000 1.245 410 L HN -0.016 nan 8.230 nan 0.000 0.432 411 P HA 0.056 nan 4.420 nan 0.000 0.252 411 P C -1.055 176.078 177.300 -0.278 0.000 1.694 411 P CA -0.054 62.896 63.100 -0.250 0.000 1.163 411 P CB -0.538 31.059 31.700 -0.172 0.000 1.934 412 N N 1.007 119.538 118.700 -0.281 0.000 2.609 412 N HA 0.175 4.915 4.740 -0.000 0.000 0.234 412 N C -0.673 174.605 175.510 -0.386 0.000 1.001 412 N CA -0.942 51.990 53.050 -0.197 0.000 0.926 412 N CB 0.290 38.702 38.487 -0.124 0.000 1.130 412 N HN 0.095 nan 8.380 nan 0.000 0.510 413 Y N 0.744 120.844 120.300 -0.333 0.000 2.717 413 Y HA -0.053 4.497 4.550 -0.000 0.000 0.330 413 Y C 1.634 176.965 175.900 -0.948 0.000 1.217 413 Y CA -1.169 56.664 58.100 -0.445 0.000 1.506 413 Y CB 0.334 38.706 38.460 -0.148 0.000 1.268 413 Y HN 0.680 nan 8.280 nan 0.000 0.561 414 C N 3.672 122.693 119.300 -0.466 0.000 2.329 414 C HA 0.359 4.819 4.460 -0.000 0.000 0.399 414 C C 0.068 174.874 174.990 -0.306 0.000 1.323 414 C CA -1.618 57.128 59.018 -0.452 0.000 1.721 414 C CB -2.809 24.800 27.740 -0.218 0.000 2.124 414 C HN 0.660 nan 8.230 nan 0.000 0.585 415 F N 0.992 120.996 119.950 0.091 0.000 1.968 415 F HA -0.107 4.420 4.527 -0.000 0.000 0.472 415 F C -0.912 174.916 175.800 0.047 0.000 0.795 415 F CA -0.730 57.316 58.000 0.076 0.000 1.015 415 F CB -0.989 38.043 39.000 0.053 0.000 0.793 415 F HN 0.265 nan 8.300 nan 0.000 0.512 416 P HA -0.089 nan 4.420 nan 0.000 0.304 416 P C 1.009 178.339 177.300 0.051 0.000 1.332 416 P CA 0.045 63.205 63.100 0.099 0.000 0.807 416 P CB 0.307 32.073 31.700 0.110 0.000 1.545 417 L N -3.616 117.587 121.223 -0.033 0.000 2.554 417 L HA 0.355 4.695 4.340 -0.000 0.000 0.226 417 L C 1.330 178.188 176.870 -0.020 0.000 1.137 417 L CA 1.147 55.873 54.840 -0.190 0.000 0.863 417 L CB -1.161 40.597 42.059 -0.502 0.000 0.985 417 L HN 0.383 nan 8.230 nan 0.000 0.451 418 G N -0.783 108.088 108.800 0.117 0.000 3.453 418 G HA2 0.455 4.415 3.960 -0.000 0.000 0.165 418 G HA3 0.455 4.415 3.960 -0.000 0.000 0.165 418 G C 0.400 175.389 174.900 0.148 0.000 1.220 418 G CA 0.164 45.376 45.100 0.186 0.000 1.305 418 G HN -0.033 nan 8.290 nan 0.000 0.695 419 G N -1.077 107.806 108.800 0.139 0.000 3.040 419 G HA2 0.593 4.553 3.960 -0.000 0.000 0.214 419 G HA3 0.593 4.553 3.960 -0.000 0.000 0.214 419 G C -0.165 174.811 174.900 0.125 0.000 1.093 419 G CA 1.146 46.321 45.100 0.126 0.000 0.931 419 G HN 1.812 nan 8.290 nan 0.000 0.632 420 V N -1.995 117.980 119.914 0.102 0.000 3.143 420 V HA 0.352 4.472 4.120 -0.000 0.000 0.264 420 V C -0.386 175.737 176.094 0.048 0.000 1.874 420 V CA -0.701 61.634 62.300 0.058 0.000 0.968 420 V CB 1.129 32.975 31.823 0.038 0.000 1.351 420 V HN 0.135 nan 8.190 nan 0.000 0.459 421 I N 0.430 121.008 120.570 0.014 0.000 4.081 421 I HA 0.415 4.585 4.170 -0.000 0.000 0.333 421 I C 0.840 176.955 176.117 -0.003 0.000 1.413 421 I CA 0.448 61.757 61.300 0.015 0.000 1.110 421 I CB 0.151 38.155 38.000 0.006 0.000 1.082 421 I HN 0.674 nan 8.210 nan 0.000 0.402 422 N N 1.511 120.204 118.700 -0.011 0.000 2.389 422 N HA 0.081 4.821 4.740 -0.000 0.000 0.237 422 N C -0.069 175.439 175.510 -0.004 0.000 1.148 422 N CA 0.318 53.358 53.050 -0.016 0.000 0.854 422 N CB -0.437 38.033 38.487 -0.028 0.000 1.115 422 N HN 0.382 nan 8.380 nan 0.000 0.492 423 T N -0.331 114.225 114.554 0.004 0.000 2.792 423 T HA 0.042 4.392 4.350 -0.000 0.000 0.286 423 T C 0.296 174.995 174.700 -0.003 0.000 0.970 423 T CA -0.054 62.048 62.100 0.005 0.000 1.187 423 T CB 0.856 69.728 68.868 0.008 0.000 0.915 423 T HN 0.100 nan 8.240 nan 0.000 0.529 424 E N 3.071 123.268 120.200 -0.005 0.000 2.197 424 E HA 0.338 4.688 4.350 -0.000 0.000 0.281 424 E C -0.336 176.257 176.600 -0.011 0.000 0.995 424 E CA -0.702 55.692 56.400 -0.009 0.000 0.808 424 E CB 1.514 31.209 29.700 -0.010 0.000 1.093 424 E HN 0.640 nan 8.360 nan 0.000 0.394 425 T N 3.365 117.911 114.554 -0.013 0.000 2.823 425 T HA 0.479 4.829 4.350 -0.000 0.000 0.279 425 T C 0.718 175.408 174.700 -0.017 0.000 0.998 425 T CA -0.500 61.591 62.100 -0.015 0.000 0.994 425 T CB 1.103 69.962 68.868 -0.015 0.000 0.960 425 T HN 0.292 nan 8.240 nan 0.000 0.448 426 L N 0.867 122.081 121.223 -0.016 0.000 3.313 426 L HA 0.719 5.059 4.340 -0.000 0.000 0.206 426 L C 0.547 177.410 176.870 -0.013 0.000 1.353 426 L CA -0.628 54.200 54.840 -0.020 0.000 2.181 426 L CB 0.434 42.477 42.059 -0.027 0.000 2.168 426 L HN 0.631 nan 8.230 nan 0.000 0.906 427 T N -0.962 113.587 114.554 -0.008 0.000 2.686 427 T HA 0.168 4.518 4.350 -0.000 0.000 0.308 427 T C -1.913 172.798 174.700 0.019 0.000 1.667 427 T CA -0.728 61.376 62.100 0.006 0.000 0.987 427 T CB 1.462 70.334 68.868 0.006 0.000 1.652 427 T HN 0.247 nan 8.240 nan 0.000 0.496 428 K N 2.682 123.107 120.400 0.041 0.000 2.180 428 K HA 0.603 4.923 4.320 -0.000 0.000 0.250 428 K C -0.294 176.335 176.600 0.048 0.000 1.135 428 K CA -0.365 55.961 56.287 0.064 0.000 1.037 428 K CB -0.441 32.134 32.500 0.125 0.000 1.624 428 K HN 0.353 nan 8.250 nan 0.000 0.382 429 V N 3.463 123.398 119.914 0.035 0.000 3.185 429 V HA 0.156 4.276 4.120 -0.000 0.000 0.305 429 V C 0.223 176.352 176.094 0.059 0.000 1.090 429 V CA -0.087 62.242 62.300 0.047 0.000 1.107 429 V CB 1.047 32.883 31.823 0.022 0.000 1.061 429 V HN 0.876 nan 8.190 nan 0.000 0.480 430 K N 3.557 124.015 120.400 0.097 0.000 2.246 430 K HA 0.690 5.010 4.320 -0.000 0.000 0.239 430 K C -2.039 174.643 176.600 0.137 0.000 1.089 430 K CA -1.194 55.133 56.287 0.066 0.000 0.892 430 K CB -0.421 32.076 32.500 -0.006 0.000 1.334 430 K HN 0.308 nan 8.250 nan 0.000 0.507 431 P HA 0.094 nan 4.420 nan 0.000 0.204 431 P C -0.880 176.386 177.300 -0.056 0.000 1.180 431 P CA 0.379 63.506 63.100 0.046 0.000 0.897 431 P CB 0.078 31.785 31.700 0.011 0.000 0.737 432 K N 0.816 121.166 120.400 -0.084 0.000 4.854 432 K HA -0.104 4.216 4.320 -0.000 0.000 0.338 432 K C -0.356 176.144 176.600 -0.167 0.000 1.013 432 K CA 0.793 56.998 56.287 -0.137 0.000 1.072 432 K CB -2.856 29.531 32.500 -0.189 0.000 1.642 432 K HN 0.349 nan 8.250 nan 0.000 0.426 433 T N 1.253 115.741 114.554 -0.110 0.000 2.871 433 T HA 0.474 4.824 4.350 -0.000 0.000 0.296 433 T C 1.056 175.690 174.700 -0.110 0.000 0.998 433 T CA 1.423 63.464 62.100 -0.098 0.000 1.162 433 T CB 0.219 69.050 68.868 -0.061 0.000 0.947 433 T HN 0.826 nan 8.240 nan 0.000 0.536 434 G N 3.935 112.665 108.800 -0.117 0.000 2.718 434 G HA2 0.299 4.259 3.960 -0.000 0.000 0.123 434 G HA3 0.299 4.259 3.960 -0.000 0.000 0.123 434 G C -0.432 174.409 174.900 -0.099 0.000 1.042 434 G CA 0.023 45.057 45.100 -0.110 0.000 1.397 434 G HN 0.784 nan 8.290 nan 0.000 0.611 435 Q N 0.079 119.802 119.800 -0.128 0.000 2.962 435 Q HA 0.679 5.019 4.340 -0.000 0.000 0.282 435 Q C -0.929 175.009 176.000 -0.104 0.000 1.058 435 Q CA -0.357 55.389 55.803 -0.095 0.000 0.854 435 Q CB 1.557 30.247 28.738 -0.080 0.000 1.441 435 Q HN 0.337 nan 8.270 nan 0.000 0.497 436 E N 0.664 120.841 120.200 -0.039 0.000 2.354 436 E HA 0.337 4.687 4.350 -0.000 0.000 0.252 436 E C -0.732 175.927 176.600 0.099 0.000 1.330 436 E CA -0.044 56.377 56.400 0.035 0.000 1.658 436 E CB 0.065 29.801 29.700 0.060 0.000 1.460 436 E HN 0.302 nan 8.360 nan 0.000 0.435 437 N N -1.536 117.167 118.700 0.004 0.000 3.439 437 N HA 0.228 4.968 4.740 -0.000 0.000 0.285 437 N C 0.046 175.424 175.510 -0.220 0.000 1.386 437 N CA 0.475 53.606 53.050 0.135 0.000 0.824 437 N CB 0.881 39.443 38.487 0.126 0.000 1.632 437 N HN 0.272 nan 8.380 nan 0.000 0.421 438 G N -0.201 108.615 108.800 0.025 0.000 3.138 438 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.247 438 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.247 438 G C -1.471 173.498 174.900 0.114 0.000 1.642 438 G CA 0.550 45.610 45.100 -0.068 0.000 1.087 438 G HN 0.973 nan 8.290 nan 0.000 0.558 439 W N -0.411 120.880 121.300 -0.014 0.000 3.078 439 W HA 0.163 4.823 4.660 -0.000 0.000 0.334 439 W C 0.460 176.969 176.519 -0.017 0.000 0.471 439 W CA 0.404 57.739 57.345 -0.016 0.000 0.459 439 W CB -1.115 28.336 29.460 -0.014 0.000 2.859 439 W HN 0.994 nan 8.180 nan 0.000 0.416 440 E N 0.111 120.455 120.200 0.240 0.000 4.296 440 E HA 0.515 4.865 4.350 -0.000 0.000 0.184 440 E C 0.068 176.731 176.600 0.105 0.000 1.198 440 E CA -0.652 55.821 56.400 0.122 0.000 0.767 440 E CB 1.500 31.233 29.700 0.054 0.000 2.656 440 E HN 0.302 nan 8.360 nan 0.000 0.516 441 K N -0.305 120.135 120.400 0.066 0.000 1.928 441 K HA 0.334 4.654 4.320 -0.000 0.000 0.251 441 K C -1.930 174.677 176.600 0.011 0.000 0.713 441 K CA -0.505 55.808 56.287 0.044 0.000 0.547 441 K CB 1.819 34.337 32.500 0.030 0.000 1.755 441 K HN 0.161 nan 8.250 nan 0.000 0.536 442 D N 0.203 120.603 120.400 0.001 0.000 2.484 442 D HA 0.347 4.987 4.640 -0.000 0.000 0.206 442 D C -1.333 174.984 176.300 0.029 0.000 1.322 442 D CA -0.146 53.831 54.000 -0.039 0.000 0.913 442 D CB 1.464 42.212 40.800 -0.085 0.000 1.559 442 D HN 0.690 nan 8.370 nan 0.000 0.565 447 S N 1.060 116.881 115.700 0.202 0.000 2.526 447 S HA 0.613 5.083 4.470 -0.000 0.000 0.293 447 S C -1.300 173.335 174.600 0.059 0.000 1.092 447 S CA -0.551 57.697 58.200 0.081 0.000 0.980 447 S CB 2.513 65.745 63.200 0.054 0.000 1.048 447 S HN 0.145 nan 8.310 nan 0.000 0.483 448 D N 2.076 122.492 120.400 0.027 0.000 2.772 448 D HA 0.315 4.955 4.640 -0.000 0.000 0.273 448 D C -0.670 175.631 176.300 0.003 0.000 1.233 448 D CA -0.082 53.928 54.000 0.016 0.000 0.984 448 D CB -0.017 40.788 40.800 0.009 0.000 1.000 448 D HN 0.638 nan 8.370 nan 0.000 0.514 449 K N 2.032 122.434 120.400 0.004 0.000 3.916 449 K HA -0.084 4.236 4.320 -0.000 0.000 0.930 449 K C -1.333 175.259 176.600 -0.013 0.000 1.279 449 K CA -0.150 56.134 56.287 -0.005 0.000 1.337 449 K CB -0.488 32.006 32.500 -0.010 0.000 2.888 449 K HN 0.255 nan 8.250 nan 0.000 0.222 450 N N 2.920 121.614 118.700 -0.010 0.000 2.421 450 N HA 0.189 4.929 4.740 -0.000 0.000 0.285 450 N C -0.370 175.130 175.510 -0.017 0.000 1.027 450 N CA -0.524 52.516 53.050 -0.017 0.000 0.918 450 N CB 1.519 39.999 38.487 -0.012 0.000 1.152 450 N HN 0.364 nan 8.380 nan 0.000 0.485 451 E N 1.176 121.362 120.200 -0.022 0.000 2.289 451 E HA 0.513 4.863 4.350 -0.000 0.000 0.278 451 E C -0.682 175.910 176.600 -0.013 0.000 1.032 451 E CA -0.021 56.368 56.400 -0.018 0.000 0.854 451 E CB 0.487 30.175 29.700 -0.020 0.000 1.046 451 E HN 0.448 nan 8.360 nan 0.000 0.409 452 I N 1.979 122.544 120.570 -0.008 0.000 2.908 452 I HA 0.288 4.458 4.170 -0.000 0.000 0.300 452 I C -0.567 175.551 176.117 0.001 0.000 1.385 452 I CA -0.979 60.319 61.300 -0.003 0.000 1.004 452 I CB 1.775 39.772 38.000 -0.005 0.000 1.309 452 I HN 0.330 nan 8.210 nan 0.000 0.449 453 R N 2.748 123.253 120.500 0.008 0.000 2.649 453 R HA 0.654 4.994 4.340 -0.000 0.000 0.270 453 R C -1.204 175.101 176.300 0.008 0.000 1.105 453 R CA -0.221 55.886 56.100 0.012 0.000 1.193 453 R CB 0.889 31.203 30.300 0.024 0.000 1.120 453 R HN 0.397 nan 8.270 nan 0.000 0.561 454 V N 2.939 122.859 119.914 0.011 0.000 2.240 454 V HA 0.528 4.648 4.120 -0.000 0.000 0.265 454 V C 1.016 177.120 176.094 0.016 0.000 1.073 454 V CA 0.078 62.383 62.300 0.009 0.000 0.857 454 V CB -0.639 31.188 31.823 0.007 0.000 1.114 454 V HN 1.078 nan 8.190 nan 0.000 0.469 455 G N 4.340 113.147 108.800 0.011 0.000 2.509 455 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.259 455 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.259 455 G C 0.040 174.950 174.900 0.017 0.000 1.169 455 G CA 0.208 45.315 45.100 0.011 0.000 0.953 455 G HN 0.709 nan 8.290 nan 0.000 0.563 456 N N 1.660 120.373 118.700 0.022 0.000 2.412 456 N HA 0.137 4.877 4.740 -0.000 0.000 0.258 456 N C 1.495 177.049 175.510 0.074 0.000 1.236 456 N CA 0.533 53.596 53.050 0.022 0.000 0.882 456 N CB 0.185 38.679 38.487 0.012 0.000 1.066 456 N HN 0.689 nan 8.380 nan 0.000 0.465 457 N N 2.408 121.144 118.700 0.061 0.000 2.052 457 N HA 0.125 4.865 4.740 -0.000 0.000 0.213 457 N C -0.504 175.193 175.510 0.312 0.000 1.207 457 N CA 0.574 53.703 53.050 0.132 0.000 0.952 457 N CB 0.060 38.591 38.487 0.074 0.000 0.987 457 N HN 0.422 nan 8.380 nan 0.000 0.392 458 F N -2.292 117.708 119.950 0.084 0.000 3.441 458 F HA 0.508 5.035 4.527 -0.000 0.000 0.328 458 F C -1.744 174.185 175.800 0.215 0.000 1.037 458 F CA -0.181 57.897 58.000 0.130 0.000 0.825 458 F CB 0.527 39.583 39.000 0.094 0.000 1.585 458 F HN 0.678 nan 8.300 nan 0.000 0.450 459 A N 1.883 124.863 122.820 0.267 0.000 2.612 459 A HA 0.546 4.866 4.320 -0.000 0.000 0.301 459 A C -2.067 175.543 177.584 0.044 0.000 0.918 459 A CA -0.600 51.554 52.037 0.196 0.000 0.684 459 A CB 0.292 19.414 19.000 0.204 0.000 1.217 459 A HN 0.857 nan 8.150 nan 0.000 0.392 460 M N 1.482 121.084 119.600 0.003 0.000 2.211 460 M HA 0.402 4.882 4.480 -0.000 0.000 0.356 460 M C 0.224 176.428 176.300 -0.159 0.000 1.216 460 M CA 0.604 55.872 55.300 -0.053 0.000 1.134 460 M CB 0.165 32.748 32.600 -0.029 0.000 1.564 460 M HN 0.535 nan 8.290 nan 0.000 0.463 461 E N 4.946 125.037 120.200 -0.181 0.000 2.969 461 E HA 0.218 4.568 4.350 -0.000 0.000 0.213 461 E C -0.604 175.879 176.600 -0.194 0.000 1.107 461 E CA -0.325 55.931 56.400 -0.240 0.000 1.007 461 E CB 0.414 29.928 29.700 -0.310 0.000 1.326 461 E HN 0.709 nan 8.360 nan 0.000 0.432 462 I N 0.436 120.910 120.570 -0.160 0.000 3.079 462 I HA 0.099 4.269 4.170 -0.000 0.000 0.295 462 I C 0.144 176.178 176.117 -0.139 0.000 1.094 462 I CA -0.261 60.956 61.300 -0.137 0.000 1.295 462 I CB 0.682 38.621 38.000 -0.102 0.000 1.443 462 I HN 0.139 nan 8.210 nan 0.000 0.607 463 N N 2.215 120.844 118.700 -0.118 0.000 2.477 463 N HA 0.405 5.145 4.740 -0.000 0.000 0.284 463 N C -0.163 175.316 175.510 -0.052 0.000 1.182 463 N CA -0.432 52.562 53.050 -0.094 0.000 0.949 463 N CB 1.687 40.118 38.487 -0.094 0.000 1.204 463 N HN 0.483 nan 8.380 nan 0.000 0.526 464 L N 0.453 121.660 121.223 -0.027 0.000 3.013 464 L HA 0.386 4.726 4.340 -0.000 0.000 0.181 464 L C 1.680 178.588 176.870 0.064 0.000 1.369 464 L CA 0.168 55.012 54.840 0.007 0.000 1.743 464 L CB -1.300 40.765 42.059 0.010 0.000 1.790 464 L HN 0.465 nan 8.230 nan 0.000 0.899 465 N N 0.800 119.574 118.700 0.123 0.000 2.091 465 N HA -0.254 4.486 4.740 -0.000 0.000 0.193 465 N C 1.637 177.273 175.510 0.209 0.000 1.021 465 N CA 1.605 54.829 53.050 0.289 0.000 0.862 465 N CB -0.248 38.380 38.487 0.234 0.000 1.018 465 N HN 0.519 nan 8.380 nan 0.000 0.429 466 A N 0.276 123.149 122.820 0.088 0.000 2.234 466 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 466 A C 1.538 179.178 177.584 0.094 0.000 1.167 466 A CA 1.516 53.594 52.037 0.068 0.000 0.698 466 A CB -0.268 18.740 19.000 0.013 0.000 0.779 466 A HN 0.374 nan 8.150 nan 0.000 0.475 467 N N -2.416 116.342 118.700 0.096 0.000 2.297 467 N HA 0.084 4.824 4.740 -0.000 0.000 0.247 467 N C 1.185 176.752 175.510 0.094 0.000 1.138 467 N CA 0.424 53.526 53.050 0.086 0.000 0.813 467 N CB 0.048 38.555 38.487 0.033 0.000 1.496 467 N HN 0.296 nan 8.380 nan 0.000 0.480 468 L N -0.865 120.393 121.223 0.057 0.000 2.201 468 L HA 0.118 4.458 4.340 -0.000 0.000 0.212 468 L C 0.644 177.422 176.870 -0.153 0.000 1.105 468 L CA 1.555 56.371 54.840 -0.039 0.000 0.775 468 L CB -0.328 41.670 42.059 -0.101 0.000 0.913 468 L HN 0.275 nan 8.230 nan 0.000 0.440 469 W N -0.024 121.178 121.300 -0.163 0.000 2.991 469 W HA 0.336 4.996 4.660 -0.000 0.000 0.391 469 W C 1.170 177.746 176.519 0.095 0.000 1.054 469 W CA -0.441 56.774 57.345 -0.217 0.000 1.856 469 W CB 0.531 29.836 29.460 -0.260 0.000 1.132 469 W HN 0.219 nan 8.180 nan 0.000 0.601 470 R N 0.239 120.919 120.500 0.300 0.000 2.566 470 R HA 0.144 4.484 4.340 -0.000 0.000 0.388 470 R C 0.352 176.789 176.300 0.227 0.000 0.989 470 R CA 0.411 56.664 56.100 0.255 0.000 1.164 470 R CB -0.679 29.720 30.300 0.165 0.000 1.459 470 R HN -0.201 nan 8.270 nan 0.000 0.553 471 N N -1.274 117.589 118.700 0.272 0.000 2.193 471 N HA 0.088 4.828 4.740 -0.000 0.000 0.210 471 N C 0.396 176.140 175.510 0.391 0.000 1.215 471 N CA 0.079 53.283 53.050 0.257 0.000 0.901 471 N CB 0.094 38.691 38.487 0.184 0.000 1.060 471 N HN 0.015 nan 8.380 nan 0.000 0.508 472 F N 1.384 121.435 119.950 0.169 0.000 2.147 472 F HA 0.188 4.715 4.527 -0.000 0.000 0.291 472 F C 1.278 177.204 175.800 0.211 0.000 1.093 472 F CA 0.555 58.641 58.000 0.145 0.000 1.263 472 F CB -0.018 39.047 39.000 0.108 0.000 1.036 472 F HN -0.075 nan 8.300 nan 0.000 0.481 473 L N 0.561 122.049 121.223 0.441 0.000 3.163 473 L HA -0.115 4.225 4.340 -0.000 0.000 0.261 473 L C -0.077 177.006 176.870 0.355 0.000 1.313 473 L CA 1.186 56.230 54.840 0.341 0.000 1.111 473 L CB -1.843 40.410 42.059 0.324 0.000 1.511 473 L HN 0.443 nan 8.230 nan 0.000 0.419 474 Y N -1.047 119.355 120.300 0.170 0.000 2.588 474 Y HA -0.090 4.460 4.550 -0.000 0.000 0.100 474 Y C 1.744 177.764 175.900 0.200 0.000 0.966 474 Y CA 0.395 58.594 58.100 0.164 0.000 1.835 474 Y CB -0.203 38.342 38.460 0.142 0.000 1.158 474 Y HN 0.033 nan 8.280 nan 0.000 0.196 475 S N 1.812 117.508 115.700 -0.006 0.000 2.776 475 S HA -0.028 4.442 4.470 -0.000 0.000 0.242 475 S C 0.522 175.234 174.600 0.187 0.000 0.977 475 S CA 1.289 59.469 58.200 -0.033 0.000 0.985 475 S CB -0.524 62.861 63.200 0.307 0.000 0.782 475 S HN 0.508 nan 8.310 nan 0.000 0.542 476 N N 0.058 118.816 118.700 0.097 0.000 2.297 476 N HA 0.272 5.012 4.740 -0.000 0.000 0.208 476 N C 0.757 176.115 175.510 -0.254 0.000 1.176 476 N CA 0.485 53.554 53.050 0.032 0.000 0.882 476 N CB 0.612 39.065 38.487 -0.056 0.000 1.134 476 N HN 0.545 nan 8.380 nan 0.000 0.489 477 I N -4.435 116.107 120.570 -0.046 0.000 4.977 477 I HA 0.405 4.575 4.170 -0.000 0.000 0.316 477 I C 1.402 177.626 176.117 0.179 0.000 1.152 477 I CA 0.035 61.334 61.300 -0.002 0.000 1.432 477 I CB -0.562 37.412 38.000 -0.044 0.000 1.711 477 I HN -0.166 nan 8.210 nan 0.000 0.519 478 A N 1.427 124.291 122.820 0.074 0.000 2.178 478 A HA 0.176 4.496 4.320 -0.000 0.000 0.218 478 A C 2.087 179.638 177.584 -0.055 0.000 1.157 478 A CA 1.364 53.440 52.037 0.065 0.000 0.689 478 A CB -0.746 18.373 19.000 0.197 0.000 0.787 478 A HN 0.475 nan 8.150 nan 0.000 0.465 479 L N -1.351 119.723 121.223 -0.247 0.000 2.592 479 L HA 0.088 4.428 4.340 -0.000 0.000 0.227 479 L C -0.320 176.227 176.870 -0.539 0.000 1.127 479 L CA 0.194 54.781 54.840 -0.422 0.000 0.884 479 L CB 0.042 41.716 42.059 -0.641 0.000 1.065 479 L HN 0.466 nan 8.230 nan 0.000 0.457 480 Y N 0.444 120.660 120.300 -0.140 0.000 2.915 480 Y HA 0.553 5.103 4.550 -0.000 0.000 0.350 480 Y C -0.187 175.678 175.900 -0.059 0.000 1.061 480 Y CA -0.358 57.676 58.100 -0.110 0.000 1.179 480 Y CB 0.434 38.790 38.460 -0.173 0.000 1.180 480 Y HN -0.110 nan 8.280 nan 0.000 0.605 481 L N 1.636 122.878 121.223 0.033 0.000 2.540 481 L HA 0.537 4.877 4.340 -0.000 0.000 0.256 481 L C -2.517 174.385 176.870 0.052 0.000 1.001 481 L CA -2.442 52.434 54.840 0.060 0.000 0.843 481 L CB 2.690 44.799 42.059 0.083 0.000 1.436 481 L HN 0.151 nan 8.230 nan 0.000 0.410 482 P HA -0.073 nan 4.420 nan 0.000 0.265 482 P C -0.452 176.897 177.300 0.082 0.000 1.167 482 P CA 0.324 63.465 63.100 0.067 0.000 0.760 482 P CB 0.440 32.186 31.700 0.076 0.000 0.783 483 D N 2.090 122.551 120.400 0.102 0.000 2.340 483 D HA -0.041 4.599 4.640 -0.000 0.000 0.220 483 D C 0.951 177.338 176.300 0.146 0.000 1.039 483 D CA 0.590 54.684 54.000 0.156 0.000 0.866 483 D CB 0.306 41.290 40.800 0.306 0.000 0.913 483 D HN 0.556 nan 8.370 nan 0.000 0.523 484 K N 0.917 121.384 120.400 0.111 0.000 2.758 484 K HA 0.172 4.492 4.320 -0.000 0.000 0.208 484 K C 0.857 177.513 176.600 0.093 0.000 1.091 484 K CA -0.150 56.197 56.287 0.099 0.000 1.059 484 K CB -0.092 32.461 32.500 0.089 0.000 0.801 484 K HN 0.083 nan 8.250 nan 0.000 0.470 485 L N -2.184 119.098 121.223 0.098 0.000 3.217 485 L HA 0.390 4.730 4.340 -0.000 0.000 0.288 485 L C -0.245 176.689 176.870 0.108 0.000 1.202 485 L CA -0.477 54.425 54.840 0.104 0.000 1.027 485 L CB 0.408 42.538 42.059 0.118 0.000 1.427 485 L HN -0.050 nan 8.230 nan 0.000 0.600 486 K N -0.101 120.372 120.400 0.122 0.000 2.512 486 K HA 0.512 4.832 4.320 -0.000 0.000 0.272 486 K C -0.742 175.997 176.600 0.233 0.000 1.033 486 K CA -0.372 56.029 56.287 0.191 0.000 1.096 486 K CB 0.097 32.722 32.500 0.209 0.000 1.498 486 K HN 0.179 nan 8.250 nan 0.000 0.629 487 Y N -1.585 118.702 120.300 -0.021 0.000 2.914 487 Y HA 0.674 5.224 4.550 -0.000 0.000 0.324 487 Y C -0.793 175.075 175.900 -0.053 0.000 1.280 487 Y CA -1.356 56.727 58.100 -0.028 0.000 1.133 487 Y CB 1.293 39.737 38.460 -0.026 0.000 1.395 487 Y HN 0.268 nan 8.280 nan 0.000 0.645 488 S N 2.137 117.533 115.700 -0.507 0.000 2.789 488 S HA 0.319 4.789 4.470 -0.000 0.000 0.286 488 S C -2.975 171.309 174.600 -0.526 0.000 1.153 488 S CA -1.168 56.710 58.200 -0.537 0.000 1.084 488 S CB 0.887 63.926 63.200 -0.269 0.000 1.036 488 S HN 0.453 nan 8.310 nan 0.000 0.484 489 P HA 0.029 nan 4.420 nan 0.000 0.260 489 P C 0.675 177.867 177.300 -0.180 0.000 1.172 489 P CA 0.185 63.093 63.100 -0.319 0.000 0.760 489 P CB 0.451 31.990 31.700 -0.269 0.000 0.773 490 S N 2.831 118.474 115.700 -0.096 0.000 2.368 490 S HA -0.175 4.295 4.470 -0.000 0.000 0.224 490 S C 1.642 176.181 174.600 -0.101 0.000 1.029 490 S CA 0.837 58.989 58.200 -0.079 0.000 0.988 490 S CB -0.720 62.454 63.200 -0.043 0.000 0.838 490 S HN 0.430 nan 8.310 nan 0.000 0.462 491 N N 1.836 120.460 118.700 -0.126 0.000 2.103 491 N HA -0.137 4.603 4.740 -0.000 0.000 0.200 491 N C 0.913 176.350 175.510 -0.121 0.000 1.016 491 N CA 1.831 54.791 53.050 -0.150 0.000 0.890 491 N CB -0.875 37.491 38.487 -0.201 0.000 1.075 491 N HN 0.473 nan 8.380 nan 0.000 0.506 492 V N -0.792 119.050 119.914 -0.120 0.000 3.158 492 V HA 0.390 4.510 4.120 -0.000 0.000 0.315 492 V C 0.027 176.061 176.094 -0.100 0.000 1.148 492 V CA -1.185 61.054 62.300 -0.101 0.000 1.042 492 V CB 1.983 33.746 31.823 -0.099 0.000 1.101 492 V HN 0.153 nan 8.190 nan 0.000 0.448 493 K N 0.991 121.343 120.400 -0.081 0.000 2.098 493 K HA 0.796 5.116 4.320 -0.000 0.000 0.257 493 K C -0.868 175.683 176.600 -0.082 0.000 0.999 493 K CA -0.476 55.767 56.287 -0.074 0.000 0.924 493 K CB 1.945 34.415 32.500 -0.050 0.000 1.028 493 K HN 0.604 nan 8.250 nan 0.000 0.466 494 I N 0.019 120.543 120.570 -0.078 0.000 3.174 494 I HA 0.138 4.308 4.170 -0.000 0.000 0.313 494 I C -0.997 175.100 176.117 -0.032 0.000 1.155 494 I CA -1.027 60.228 61.300 -0.074 0.000 0.977 494 I CB 2.804 40.724 38.000 -0.134 0.000 1.248 494 I HN 0.779 nan 8.210 nan 0.000 0.453 495 S N 1.961 117.662 115.700 0.002 0.000 2.665 495 S HA 0.231 4.701 4.470 -0.000 0.000 0.230 495 S C -0.698 173.957 174.600 0.091 0.000 1.326 495 S CA -0.683 57.540 58.200 0.039 0.000 1.055 495 S CB -0.053 63.175 63.200 0.046 0.000 1.178 495 S HN 0.411 nan 8.310 nan 0.000 0.489 496 D N 3.698 124.148 120.400 0.084 0.000 3.011 496 D HA -0.069 4.571 4.640 -0.000 0.000 0.268 496 D C -0.081 176.325 176.300 0.177 0.000 1.410 496 D CA 1.077 55.171 54.000 0.157 0.000 1.475 496 D CB -0.584 40.270 40.800 0.090 0.000 1.180 496 D HN 0.490 nan 8.370 nan 0.000 0.569 497 N N 1.496 120.344 118.700 0.246 0.000 2.503 497 N HA 0.078 4.818 4.740 -0.000 0.000 0.287 497 N C -2.109 173.295 175.510 -0.176 0.000 1.096 497 N CA -1.442 51.633 53.050 0.042 0.000 0.936 497 N CB 2.341 40.842 38.487 0.024 0.000 1.570 497 N HN -0.164 nan 8.380 nan 0.000 0.504 498 P HA -0.161 nan 4.420 nan 0.000 0.217 498 P C -0.298 176.706 177.300 -0.493 0.000 1.162 498 P CA 1.556 64.087 63.100 -0.950 0.000 0.901 498 P CB 0.094 31.483 31.700 -0.517 0.000 0.793 499 N N -0.174 118.379 118.700 -0.246 0.000 3.322 499 N HA 0.156 4.896 4.740 -0.000 0.000 0.290 499 N C 0.131 175.580 175.510 -0.102 0.000 1.297 499 N CA 0.095 53.056 53.050 -0.148 0.000 1.167 499 N CB 0.514 38.929 38.487 -0.121 0.000 1.434 499 N HN 0.124 nan 8.380 nan 0.000 0.526 500 T N -1.076 113.446 114.554 -0.054 0.000 2.804 500 T HA 0.215 4.565 4.350 -0.000 0.000 0.290 500 T C 0.342 175.048 174.700 0.010 0.000 1.099 500 T CA -0.320 61.777 62.100 -0.005 0.000 1.011 500 T CB 1.245 70.151 68.868 0.064 0.000 1.291 500 T HN 0.122 nan 8.240 nan 0.000 0.523 501 Y N 0.962 121.272 120.300 0.017 0.000 2.206 501 Y HA 0.048 4.598 4.550 -0.000 0.000 0.292 501 Y C 2.033 177.948 175.900 0.024 0.000 1.123 501 Y CA 1.873 59.983 58.100 0.017 0.000 1.142 501 Y CB -0.535 37.936 38.460 0.017 0.000 1.006 501 Y HN 0.738 nan 8.280 nan 0.000 0.518 502 D N -1.048 119.488 120.400 0.227 0.000 2.182 502 D HA -0.322 4.318 4.640 -0.000 0.000 0.193 502 D C 2.007 178.360 176.300 0.088 0.000 0.999 502 D CA 2.252 56.309 54.000 0.095 0.000 0.850 502 D CB -0.998 39.833 40.800 0.052 0.000 0.994 502 D HN 0.365 nan 8.370 nan 0.000 0.450 503 Y N 0.156 120.453 120.300 -0.005 0.000 2.219 503 Y HA -0.324 4.226 4.550 -0.000 0.000 0.283 503 Y C 2.239 178.124 175.900 -0.025 0.000 1.191 503 Y CA 1.401 59.486 58.100 -0.026 0.000 1.199 503 Y CB 0.004 38.449 38.460 -0.025 0.000 0.972 503 Y HN 0.046 nan 8.280 nan 0.000 0.527 504 M N -1.506 118.213 119.600 0.197 0.000 2.276 504 M HA -0.114 4.366 4.480 -0.000 0.000 0.262 504 M C 1.580 177.940 176.300 0.099 0.000 1.098 504 M CA 1.179 56.550 55.300 0.118 0.000 1.167 504 M CB -0.383 32.232 32.600 0.024 0.000 1.337 504 M HN 0.075 nan 8.290 nan 0.000 0.446 505 N N 0.800 119.605 118.700 0.176 0.000 2.336 505 N HA 0.025 4.765 4.740 -0.000 0.000 0.189 505 N C 0.912 176.412 175.510 -0.016 0.000 1.113 505 N CA 0.420 53.559 53.050 0.147 0.000 0.858 505 N CB 0.365 39.039 38.487 0.312 0.000 0.970 505 N HN 0.298 nan 8.380 nan 0.000 0.471 506 K N -0.063 120.286 120.400 -0.085 0.000 2.253 506 K HA 0.230 4.550 4.320 -0.000 0.000 0.225 506 K C 0.227 176.748 176.600 -0.131 0.000 1.037 506 K CA -0.459 55.719 56.287 -0.180 0.000 0.928 506 K CB -0.050 32.326 32.500 -0.208 0.000 1.057 506 K HN -0.115 nan 8.250 nan 0.000 0.462 507 R N 2.491 122.895 120.500 -0.159 0.000 1.232 507 R HA -0.149 4.191 4.340 -0.000 0.000 0.171 507 R C -0.399 175.832 176.300 -0.114 0.000 0.466 507 R CA 0.018 56.012 56.100 -0.176 0.000 0.275 507 R CB -1.880 28.345 30.300 -0.125 0.000 1.664 507 R HN 0.108 nan 8.270 nan 0.000 0.583 508 V N 0.202 120.043 119.914 -0.121 0.000 3.005 508 V HA -0.144 3.976 4.120 -0.000 0.000 0.287 508 V C 0.998 177.165 176.094 0.121 0.000 1.344 508 V CA 1.116 63.410 62.300 -0.009 0.000 1.410 508 V CB 0.685 32.504 31.823 -0.006 0.000 0.913 508 V HN 0.304 nan 8.190 nan 0.000 0.525 509 V N 3.068 123.075 119.914 0.155 0.000 3.112 509 V HA 0.980 5.100 4.120 -0.000 0.000 0.310 509 V C -0.189 175.960 176.094 0.092 0.000 1.364 509 V CA 0.033 62.435 62.300 0.171 0.000 1.058 509 V CB 2.420 34.332 31.823 0.148 0.000 1.079 509 V HN 1.318 nan 8.190 nan 0.000 0.463 510 A N 1.555 124.398 122.820 0.038 0.000 2.387 510 A HA 0.977 5.297 4.320 -0.000 0.000 0.298 510 A C -2.417 175.168 177.584 0.002 0.000 1.165 510 A CA -0.922 51.097 52.037 -0.030 0.000 0.814 510 A CB 1.425 20.342 19.000 -0.137 0.000 1.357 510 A HN 0.674 nan 8.150 nan 0.000 0.443 511 P HA 0.134 nan 4.420 nan 0.000 0.226 511 P C 1.004 178.272 177.300 -0.053 0.000 1.160 511 P CA 1.092 64.172 63.100 -0.033 0.000 0.837 511 P CB 0.138 31.792 31.700 -0.076 0.000 0.860 512 G N 0.208 108.945 108.800 -0.106 0.000 3.375 512 G HA2 0.119 4.079 3.960 -0.000 0.000 0.247 512 G HA3 0.119 4.079 3.960 -0.000 0.000 0.247 512 G C 0.808 175.565 174.900 -0.239 0.000 1.343 512 G CA -0.001 44.985 45.100 -0.190 0.000 1.368 512 G HN 0.209 nan 8.290 nan 0.000 0.549 513 L N -0.291 120.856 121.223 -0.128 0.000 2.609 513 L HA 0.220 4.560 4.340 -0.000 0.000 0.230 513 L C 0.315 177.272 176.870 0.144 0.000 1.064 513 L CA 0.277 55.120 54.840 0.005 0.000 0.873 513 L CB 1.004 43.100 42.059 0.061 0.000 1.139 513 L HN 0.162 nan 8.230 nan 0.000 0.490 514 V N -2.743 117.224 119.914 0.089 0.000 2.385 514 V HA 0.597 4.717 4.120 -0.000 0.000 0.277 514 V C -1.476 174.706 176.094 0.147 0.000 1.012 514 V CA -0.728 61.729 62.300 0.260 0.000 0.832 514 V CB 1.166 33.143 31.823 0.256 0.000 1.028 514 V HN -0.090 nan 8.190 nan 0.000 0.436 515 D N 2.279 122.773 120.400 0.158 0.000 2.687 515 D HA 0.479 5.119 4.640 -0.000 0.000 0.264 515 D C 0.030 176.535 176.300 0.341 0.000 1.091 515 D CA -0.700 53.375 54.000 0.125 0.000 1.123 515 D CB 1.809 42.517 40.800 -0.154 0.000 1.407 515 D HN 0.487 nan 8.370 nan 0.000 0.591 516 C N 1.712 121.153 119.300 0.235 0.000 2.327 516 C HA 0.026 4.486 4.460 -0.000 0.000 0.401 516 C C 1.067 176.191 174.990 0.225 0.000 1.297 516 C CA -0.248 58.889 59.018 0.198 0.000 1.628 516 C CB -2.334 25.470 27.740 0.107 0.000 1.787 516 C HN 0.421 nan 8.230 nan 0.000 0.590 517 Y N -1.420 118.911 120.300 0.052 0.000 2.457 517 Y HA 0.533 5.083 4.550 -0.000 0.000 0.263 517 Y C 0.329 176.241 175.900 0.019 0.000 1.164 517 Y CA -1.305 56.813 58.100 0.030 0.000 1.274 517 Y CB -0.710 37.775 38.460 0.041 0.000 1.097 517 Y HN 0.207 nan 8.280 nan 0.000 0.523 518 I N 1.884 122.440 120.570 -0.024 0.000 2.378 518 I HA 0.183 4.353 4.170 -0.000 0.000 0.291 518 I C 0.248 176.340 176.117 -0.042 0.000 0.992 518 I CA -0.648 60.563 61.300 -0.148 0.000 1.154 518 I CB 1.338 39.281 38.000 -0.095 0.000 1.315 518 I HN 0.089 nan 8.210 nan 0.000 0.448 519 N N 4.144 122.789 118.700 -0.092 0.000 3.586 519 N HA -0.312 4.428 4.740 -0.000 0.000 0.205 519 N C 1.196 176.671 175.510 -0.059 0.000 0.178 519 N CA 2.252 55.251 53.050 -0.086 0.000 2.824 519 N CB -0.536 37.916 38.487 -0.058 0.000 1.219 519 N HN 0.785 nan 8.380 nan 0.000 0.364 520 L N -1.729 119.474 121.223 -0.033 0.000 4.813 520 L HA -0.252 4.088 4.340 -0.000 0.000 0.434 520 L C 0.650 177.473 176.870 -0.079 0.000 1.106 520 L CA 1.498 56.300 54.840 -0.064 0.000 0.991 520 L CB -1.620 40.403 42.059 -0.060 0.000 2.005 520 L HN 0.702 nan 8.230 nan 0.000 0.817 521 G N -0.627 108.140 108.800 -0.055 0.000 5.252 521 G HA2 0.638 4.598 3.960 -0.000 0.000 0.214 521 G HA3 0.638 4.598 3.960 -0.000 0.000 0.214 521 G C -0.243 174.640 174.900 -0.027 0.000 0.817 521 G CA 0.721 45.795 45.100 -0.043 0.000 0.715 521 G HN 0.846 nan 8.290 nan 0.000 0.480 522 A N 0.180 122.997 122.820 -0.005 0.000 2.596 522 A HA 0.634 4.954 4.320 -0.000 0.000 0.305 522 A C -0.654 176.982 177.584 0.086 0.000 1.032 522 A CA -0.831 51.221 52.037 0.024 0.000 0.776 522 A CB 0.961 19.950 19.000 -0.017 0.000 1.253 522 A HN 0.121 nan 8.150 nan 0.000 0.402 523 R N 2.334 122.887 120.500 0.089 0.000 2.357 523 R HA 0.176 4.516 4.340 -0.000 0.000 0.330 523 R C -1.167 175.249 176.300 0.194 0.000 1.102 523 R CA 0.319 56.476 56.100 0.096 0.000 0.974 523 R CB 0.107 30.436 30.300 0.049 0.000 1.002 523 R HN 0.721 nan 8.270 nan 0.000 0.463 524 W N 3.172 124.445 121.300 -0.045 0.000 3.268 524 W HA 0.035 4.695 4.660 -0.000 0.000 0.330 524 W C -0.578 175.916 176.519 -0.042 0.000 1.074 524 W CA -0.552 56.766 57.345 -0.045 0.000 1.263 524 W CB 1.255 30.695 29.460 -0.033 0.000 1.250 524 W HN 0.395 nan 8.180 nan 0.000 0.425 525 S N 6.168 121.622 115.700 -0.410 0.000 2.727 525 S HA 0.112 4.582 4.470 -0.000 0.000 0.226 525 S C 0.807 175.086 174.600 -0.536 0.000 0.963 525 S CA 0.617 58.582 58.200 -0.392 0.000 0.950 525 S CB -0.536 62.451 63.200 -0.355 0.000 0.779 525 S HN 0.458 nan 8.310 nan 0.000 0.532 526 L N 0.830 121.381 121.223 -1.120 0.000 0.586 526 L HA -0.168 4.172 4.340 -0.000 0.000 0.356 526 L C 0.980 177.526 176.870 -0.539 0.000 1.004 526 L CA 0.824 55.296 54.840 -0.614 0.000 1.223 526 L CB -1.049 41.038 42.059 0.048 0.000 0.012 526 L HN 0.361 nan 8.230 nan 0.000 0.092 527 D N 0.376 120.787 120.400 0.019 0.000 2.310 527 D HA -0.132 4.508 4.640 -0.000 0.000 0.212 527 D C 1.099 177.593 176.300 0.323 0.000 0.965 527 D CA 1.394 55.482 54.000 0.146 0.000 0.879 527 D CB 0.319 41.350 40.800 0.384 0.000 0.921 527 D HN 0.473 nan 8.370 nan 0.000 0.510 528 Y N -0.788 119.505 120.300 -0.011 0.000 2.445 528 Y HA 0.204 4.754 4.550 -0.000 0.000 0.247 528 Y C 1.174 177.064 175.900 -0.017 0.000 1.129 528 Y CA -0.087 58.017 58.100 0.007 0.000 1.251 528 Y CB 0.405 38.894 38.460 0.049 0.000 1.176 528 Y HN -0.094 nan 8.280 nan 0.000 0.522 529 M N 0.155 119.768 119.600 0.021 0.000 2.738 529 M HA 0.239 4.719 4.480 -0.000 0.000 0.295 529 M C -0.242 175.994 176.300 -0.107 0.000 1.266 529 M CA 0.241 55.514 55.300 -0.044 0.000 0.985 529 M CB -0.509 32.062 32.600 -0.048 0.000 1.365 529 M HN -0.083 nan 8.290 nan 0.000 0.492 530 D N -0.285 120.055 120.400 -0.101 0.000 2.733 530 D HA 0.118 4.758 4.640 -0.000 0.000 0.262 530 D C 1.233 177.530 176.300 -0.005 0.000 1.497 530 D CA 0.894 54.846 54.000 -0.080 0.000 1.101 530 D CB -0.091 40.660 40.800 -0.082 0.000 1.014 530 D HN 0.307 nan 8.370 nan 0.000 0.319 531 N N 0.988 119.675 118.700 -0.020 0.000 2.251 531 N HA -0.154 4.586 4.740 -0.000 0.000 0.196 531 N C 0.282 175.847 175.510 0.093 0.000 0.993 531 N CA 0.679 53.750 53.050 0.036 0.000 0.896 531 N CB -0.601 37.831 38.487 -0.091 0.000 0.994 531 N HN 0.119 nan 8.380 nan 0.000 0.452 532 V N 1.571 121.468 119.914 -0.029 0.000 2.385 532 V HA 0.083 4.203 4.120 -0.000 0.000 0.269 532 V C 0.759 176.712 176.094 -0.234 0.000 1.043 532 V CA -1.039 61.198 62.300 -0.105 0.000 0.906 532 V CB 0.292 32.076 31.823 -0.064 0.000 0.995 532 V HN 0.212 nan 8.190 nan 0.000 0.467 533 N N 6.864 125.211 118.700 -0.589 0.000 1.754 533 N HA -0.103 4.637 4.740 -0.000 0.000 0.295 533 N C -1.269 174.094 175.510 -0.245 0.000 1.315 533 N CA -0.476 52.133 53.050 -0.735 0.000 0.950 533 N CB 0.705 38.864 38.487 -0.546 0.000 1.311 533 N HN 0.566 nan 8.380 nan 0.000 0.479 534 P HA -0.111 nan 4.420 nan 0.000 0.236 534 P C 0.106 177.363 177.300 -0.072 0.000 1.172 534 P CA 0.949 63.963 63.100 -0.143 0.000 0.759 534 P CB 0.076 31.657 31.700 -0.198 0.000 0.843 535 F N -0.652 119.335 119.950 0.062 0.000 2.724 535 F HA 0.287 4.814 4.527 -0.000 0.000 0.310 535 F C 1.297 177.127 175.800 0.050 0.000 1.107 535 F CA -0.568 57.504 58.000 0.119 0.000 1.218 535 F CB -0.396 38.678 39.000 0.123 0.000 1.042 535 F HN -0.187 nan 8.300 nan 0.000 0.540 536 N N -0.468 118.340 118.700 0.182 0.000 2.313 536 N HA 0.003 4.743 4.740 -0.000 0.000 0.207 536 N C 0.545 176.161 175.510 0.177 0.000 1.141 536 N CA 0.221 53.343 53.050 0.119 0.000 0.830 536 N CB -0.373 38.139 38.487 0.041 0.000 1.008 536 N HN 0.358 nan 8.380 nan 0.000 0.481 537 H N -1.087 118.041 119.070 0.097 0.000 2.307 537 H HA 0.039 4.595 4.556 -0.000 0.000 0.349 537 H C 1.276 176.653 175.328 0.080 0.000 1.754 537 H CA 0.306 56.378 56.048 0.041 0.000 1.431 537 H CB 0.582 30.325 29.762 -0.032 0.000 1.666 537 H HN 0.291 nan 8.280 nan 0.000 0.582 538 H N -0.006 119.233 119.070 0.281 0.000 3.058 538 H HA 0.170 4.726 4.556 -0.000 0.000 0.266 538 H C 0.526 175.687 175.328 -0.279 0.000 1.135 538 H CA -0.171 55.872 56.048 -0.008 0.000 1.174 538 H CB 0.561 30.553 29.762 0.383 0.000 1.581 538 H HN 0.419 nan 8.280 nan 0.000 0.553 539 R N 1.799 121.814 120.500 -0.809 0.000 3.039 539 R HA 0.113 4.453 4.340 -0.000 0.000 0.336 539 R C -0.981 174.592 176.300 -1.212 0.000 1.258 539 R CA -0.091 55.373 56.100 -1.060 0.000 1.125 539 R CB -0.267 29.317 30.300 -1.195 0.000 1.427 539 R HN 0.517 nan 8.270 nan 0.000 0.588 540 N N -1.956 116.318 118.700 -0.709 0.000 2.577 540 N HA 0.206 4.946 4.740 -0.000 0.000 0.275 540 N C 0.439 175.748 175.510 -0.336 0.000 1.091 540 N CA -0.420 52.336 53.050 -0.489 0.000 0.843 540 N CB 1.937 40.312 38.487 -0.187 0.000 1.295 540 N HN -0.072 nan 8.380 nan 0.000 0.530 541 A N 2.329 124.976 122.820 -0.289 0.000 2.110 541 A HA -0.297 4.023 4.320 -0.000 0.000 0.226 541 A C 1.886 179.316 177.584 -0.257 0.000 1.218 541 A CA 2.396 54.270 52.037 -0.273 0.000 0.689 541 A CB -1.332 17.539 19.000 -0.214 0.000 0.824 541 A HN 0.830 nan 8.150 nan 0.000 0.496 542 G N -1.008 107.655 108.800 -0.229 0.000 2.605 542 G HA2 0.074 4.034 3.960 -0.000 0.000 0.215 542 G HA3 0.074 4.034 3.960 -0.000 0.000 0.215 542 G C 1.351 176.152 174.900 -0.166 0.000 1.279 542 G CA 0.875 45.862 45.100 -0.187 0.000 0.831 542 G HN 0.342 nan 8.290 nan 0.000 0.560 543 L N 1.624 122.729 121.223 -0.196 0.000 1.961 543 L HA -0.026 4.314 4.340 -0.000 0.000 0.210 543 L C 3.055 179.728 176.870 -0.329 0.000 1.072 543 L CA 2.328 57.034 54.840 -0.222 0.000 0.749 543 L CB -1.080 40.861 42.059 -0.197 0.000 0.889 543 L HN 0.536 nan 8.230 nan 0.000 0.432 544 R N -1.385 118.823 120.500 -0.487 0.000 2.246 544 R HA -0.330 4.010 4.340 -0.000 0.000 0.266 544 R C 2.076 178.256 176.300 -0.201 0.000 1.163 544 R CA 2.734 58.516 56.100 -0.530 0.000 0.992 544 R CB -1.176 28.898 30.300 -0.378 0.000 0.895 544 R HN 0.516 nan 8.270 nan 0.000 0.465 545 Y N 0.125 120.265 120.300 -0.266 0.000 2.442 545 Y HA 0.309 4.859 4.550 -0.000 0.000 0.250 545 Y C 2.063 177.854 175.900 -0.181 0.000 1.113 545 Y CA -0.380 57.599 58.100 -0.202 0.000 1.273 545 Y CB 0.240 38.545 38.460 -0.258 0.000 1.138 545 Y HN -0.068 nan 8.280 nan 0.000 0.522 546 R N 0.079 120.405 120.500 -0.290 0.000 2.159 546 R HA -0.125 4.215 4.340 -0.000 0.000 0.237 546 R C 2.060 178.095 176.300 -0.441 0.000 1.131 546 R CA 1.497 57.388 56.100 -0.349 0.000 0.982 546 R CB -0.326 29.826 30.300 -0.246 0.000 0.868 546 R HN 0.250 nan 8.270 nan 0.000 0.453 547 S N -0.954 114.570 115.700 -0.293 0.000 2.614 547 S HA 0.162 4.632 4.470 -0.000 0.000 0.230 547 S C 0.392 174.905 174.600 -0.145 0.000 0.952 547 S CA -0.331 57.783 58.200 -0.144 0.000 0.949 547 S CB 0.229 63.563 63.200 0.222 0.000 0.786 547 S HN 0.159 nan 8.310 nan 0.000 0.478 548 M N 1.920 121.267 119.600 -0.422 0.000 3.062 548 M HA 0.423 4.903 4.480 -0.000 0.000 0.270 548 M C -0.540 175.462 176.300 -0.498 0.000 1.270 548 M CA -0.032 55.062 55.300 -0.343 0.000 0.702 548 M CB 0.970 33.465 32.600 -0.175 0.000 1.398 548 M HN 0.364 nan 8.290 nan 0.000 0.490 549 L N 1.023 122.031 121.223 -0.357 0.000 4.452 549 L HA 0.174 4.514 4.340 -0.000 0.000 0.451 549 L C -0.785 175.979 176.870 -0.177 0.000 1.096 549 L CA 0.537 55.223 54.840 -0.256 0.000 1.619 549 L CB 0.214 42.059 42.059 -0.356 0.000 1.512 549 L HN 0.392 nan 8.230 nan 0.000 0.580 550 L N -1.728 119.403 121.223 -0.153 0.000 3.520 550 L HA 0.909 5.249 4.340 -0.000 0.000 0.323 550 L C 0.899 177.757 176.870 -0.018 0.000 1.246 550 L CA -0.074 54.704 54.840 -0.103 0.000 1.085 550 L CB 0.215 42.146 42.059 -0.212 0.000 1.477 550 L HN 0.130 nan 8.230 nan 0.000 0.624 551 G N 2.244 111.048 108.800 0.007 0.000 2.860 551 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.553 551 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.553 551 G C 0.002 174.979 174.900 0.129 0.000 1.439 551 G CA 0.046 45.182 45.100 0.061 0.000 0.879 551 G HN 0.549 nan 8.290 nan 0.000 0.545 552 N N 0.640 119.429 118.700 0.148 0.000 2.389 552 N HA 0.382 5.122 4.740 -0.000 0.000 0.260 552 N C 0.624 176.249 175.510 0.192 0.000 1.191 552 N CA 0.487 53.667 53.050 0.217 0.000 0.885 552 N CB 0.940 39.514 38.487 0.145 0.000 1.162 552 N HN 1.078 nan 8.380 nan 0.000 0.512 553 G N 0.224 109.118 108.800 0.157 0.000 2.667 553 G HA2 0.331 4.291 3.960 -0.000 0.000 0.310 553 G HA3 0.331 4.291 3.960 -0.000 0.000 0.310 553 G C 0.487 175.440 174.900 0.088 0.000 1.259 553 G CA -0.738 44.432 45.100 0.117 0.000 1.019 553 G HN 0.185 nan 8.290 nan 0.000 0.496 554 R N -1.402 119.120 120.500 0.037 0.000 2.052 554 R HA 0.080 4.420 4.340 -0.000 0.000 0.224 554 R C -0.104 176.076 176.300 -0.200 0.000 1.149 554 R CA 0.513 56.565 56.100 -0.081 0.000 0.962 554 R CB -0.264 29.976 30.300 -0.100 0.000 0.856 554 R HN 0.379 nan 8.270 nan 0.000 0.433 555 Y N 1.635 121.946 120.300 0.019 0.000 2.650 555 Y HA 0.236 4.786 4.550 -0.000 0.000 0.343 555 Y C -0.851 175.060 175.900 0.018 0.000 1.078 555 Y CA -0.550 57.553 58.100 0.005 0.000 1.356 555 Y CB 1.428 39.882 38.460 -0.010 0.000 1.204 555 Y HN -0.088 nan 8.280 nan 0.000 0.508 556 V N 6.205 126.198 119.914 0.132 0.000 2.204 556 V HA 0.257 4.377 4.120 -0.000 0.000 0.264 556 V C -2.078 174.126 176.094 0.183 0.000 1.106 556 V CA -1.943 60.443 62.300 0.143 0.000 0.947 556 V CB -0.165 31.730 31.823 0.120 0.000 1.164 556 V HN 0.499 nan 8.190 nan 0.000 0.461 557 P HA 0.308 nan 4.420 nan 0.000 0.269 557 P C -0.629 176.704 177.300 0.055 0.000 1.215 557 P CA 0.340 63.406 63.100 -0.057 0.000 0.780 557 P CB 1.060 32.729 31.700 -0.053 0.000 0.898 558 F N -1.498 118.493 119.950 0.069 0.000 3.918 558 F HA 0.600 5.127 4.527 -0.000 0.000 0.324 558 F C -0.254 175.662 175.800 0.193 0.000 1.247 558 F CA -0.662 57.405 58.000 0.111 0.000 0.926 558 F CB 0.323 39.387 39.000 0.107 0.000 1.731 558 F HN 0.470 nan 8.300 nan 0.000 0.512 559 H N 1.648 121.053 119.070 0.559 0.000 5.420 559 H HA 0.318 4.874 4.556 -0.000 0.000 0.806 559 H C -1.461 174.054 175.328 0.311 0.000 1.944 559 H CA -0.976 55.282 56.048 0.351 0.000 1.511 559 H CB -0.847 29.017 29.762 0.170 0.000 3.954 559 H HN 0.893 nan 8.280 nan 0.000 0.682 560 I N -0.673 120.033 120.570 0.228 0.000 3.418 560 I HA 0.508 4.678 4.170 -0.000 0.000 0.279 560 I C -0.094 175.942 176.117 -0.135 0.000 1.143 560 I CA -0.961 60.280 61.300 -0.100 0.000 0.983 560 I CB 0.529 38.381 38.000 -0.246 0.000 1.558 560 I HN 0.240 nan 8.210 nan 0.000 0.766 561 Q N 0.620 120.388 119.800 -0.053 0.000 2.348 561 Q HA 0.768 5.108 4.340 -0.000 0.000 0.271 561 Q C -1.411 174.762 176.000 0.289 0.000 1.067 561 Q CA -0.627 55.211 55.803 0.058 0.000 0.839 561 Q CB 2.477 31.159 28.738 -0.092 0.000 1.354 561 Q HN 0.617 nan 8.270 nan 0.000 0.447 562 V N -0.071 120.015 119.914 0.286 0.000 2.781 562 V HA 0.591 4.711 4.120 -0.000 0.000 0.289 562 V C -2.893 172.948 176.094 -0.422 0.000 1.275 562 V CA -1.309 60.959 62.300 -0.055 0.000 0.936 562 V CB 1.619 33.282 31.823 -0.267 0.000 1.074 562 V HN 0.702 nan 8.190 nan 0.000 0.444 563 P HA 0.633 nan 4.420 nan 0.000 0.308 563 P C -1.065 176.075 177.300 -0.267 0.000 1.329 563 P CA 0.009 62.956 63.100 -0.255 0.000 0.825 563 P CB 1.120 32.710 31.700 -0.183 0.000 2.072 564 Q N -1.300 118.430 119.800 -0.118 0.000 2.456 564 Q HA 0.556 4.896 4.340 -0.000 0.000 0.284 564 Q C -1.675 174.305 176.000 -0.034 0.000 1.061 564 Q CA -0.488 55.271 55.803 -0.073 0.000 0.799 564 Q CB 1.773 30.520 28.738 0.014 0.000 1.445 564 Q HN 0.196 nan 8.270 nan 0.000 0.411 565 K N 2.015 122.441 120.400 0.044 0.000 2.984 565 K HA 0.451 4.771 4.320 -0.000 0.000 0.211 565 K C -1.427 175.172 176.600 -0.002 0.000 1.174 565 K CA -0.431 55.870 56.287 0.023 0.000 0.978 565 K CB 0.817 33.346 32.500 0.048 0.000 1.212 565 K HN 0.347 nan 8.250 nan 0.000 0.589 566 F N 1.388 121.239 119.950 -0.166 0.000 2.603 566 F HA 0.461 4.988 4.527 -0.000 0.000 0.317 566 F C -0.468 175.239 175.800 -0.154 0.000 1.066 566 F CA -2.071 55.764 58.000 -0.275 0.000 0.941 566 F CB 1.275 40.153 39.000 -0.203 0.000 1.291 566 F HN 0.309 nan 8.300 nan 0.000 0.472 567 F N 1.866 121.117 119.950 -1.165 0.000 2.811 567 F HA 0.602 5.129 4.527 -0.000 0.000 0.292 567 F C 0.517 175.939 175.800 -0.629 0.000 1.240 567 F CA 0.536 58.056 58.000 -0.800 0.000 1.422 567 F CB -0.671 37.945 39.000 -0.641 0.000 1.045 567 F HN 0.401 nan 8.300 nan 0.000 0.512 568 A N 0.830 123.544 122.820 -0.177 0.000 1.703 568 A HA 0.285 4.605 4.320 -0.000 0.000 0.211 568 A C 1.262 178.934 177.584 0.147 0.000 1.773 568 A CA -0.168 51.953 52.037 0.139 0.000 1.186 568 A CB -0.135 19.130 19.000 0.442 0.000 1.117 568 A HN 0.242 nan 8.150 nan 0.000 0.501 569 I N 2.423 123.133 120.570 0.233 0.000 3.609 569 I HA 0.043 4.213 4.170 -0.000 0.000 0.305 569 I C 0.911 177.066 176.117 0.063 0.000 1.239 569 I CA 0.743 62.133 61.300 0.149 0.000 1.191 569 I CB -1.814 36.297 38.000 0.184 0.000 1.020 569 I HN 0.468 nan 8.210 nan 0.000 0.471 570 K N 1.684 122.085 120.400 0.002 0.000 2.632 570 K HA 0.193 4.513 4.320 -0.000 0.000 0.267 570 K C 0.304 176.851 176.600 -0.088 0.000 1.028 570 K CA -0.626 55.612 56.287 -0.081 0.000 1.045 570 K CB 0.590 32.992 32.500 -0.164 0.000 1.400 570 K HN 0.022 nan 8.250 nan 0.000 0.522 571 N N 1.486 120.087 118.700 -0.166 0.000 2.850 571 N HA -0.080 4.660 4.740 -0.000 0.000 0.324 571 N C -0.571 174.923 175.510 -0.027 0.000 1.182 571 N CA 0.232 53.210 53.050 -0.120 0.000 1.177 571 N CB -0.275 38.101 38.487 -0.186 0.000 1.424 571 N HN 0.271 nan 8.380 nan 0.000 0.536 572 L N 0.974 122.217 121.223 0.033 0.000 2.183 572 L HA 0.635 4.975 4.340 -0.000 0.000 0.253 572 L C -0.688 176.228 176.870 0.078 0.000 1.048 572 L CA -0.702 54.200 54.840 0.102 0.000 0.890 572 L CB 1.918 44.042 42.059 0.109 0.000 1.476 572 L HN 0.045 nan 8.230 nan 0.000 0.455 573 L N 0.890 122.157 121.223 0.075 0.000 2.434 573 L HA 0.590 4.930 4.340 -0.000 0.000 0.260 573 L C -0.821 176.066 176.870 0.028 0.000 0.983 573 L CA -0.437 54.437 54.840 0.057 0.000 0.820 573 L CB 1.754 43.857 42.059 0.073 0.000 1.361 573 L HN 0.284 nan 8.230 nan 0.000 0.410 574 L N 1.616 122.844 121.223 0.009 0.000 2.334 574 L HA 0.745 5.085 4.340 -0.000 0.000 0.270 574 L C -1.089 175.773 176.870 -0.013 0.000 1.018 574 L CA -0.213 54.609 54.840 -0.031 0.000 0.811 574 L CB 1.620 43.628 42.059 -0.086 0.000 1.271 574 L HN 0.520 nan 8.230 nan 0.000 0.443 575 L N 2.750 123.964 121.223 -0.015 0.000 2.304 575 L HA 0.621 4.961 4.340 -0.000 0.000 0.268 575 L C -1.935 174.983 176.870 0.080 0.000 1.010 575 L CA -2.073 52.782 54.840 0.025 0.000 0.813 575 L CB 1.656 43.736 42.059 0.034 0.000 1.315 575 L HN 0.525 nan 8.230 nan 0.000 0.445 576 P HA -0.084 nan 4.420 nan 0.000 0.278 576 P C -0.353 177.070 177.300 0.206 0.000 1.271 576 P CA 0.845 64.001 63.100 0.093 0.000 0.860 576 P CB 0.123 31.851 31.700 0.046 0.000 0.864 577 G N -1.071 107.768 108.800 0.065 0.000 2.721 577 G HA2 0.065 4.025 3.960 -0.000 0.000 0.686 577 G HA3 0.065 4.025 3.960 -0.000 0.000 0.686 577 G C -0.698 174.090 174.900 -0.186 0.000 1.236 577 G CA -0.324 44.693 45.100 -0.137 0.000 0.786 577 G HN 0.591 nan 8.290 nan 0.000 0.616 578 S N 0.488 115.958 115.700 -0.383 0.000 2.480 578 S HA 0.753 5.223 4.470 -0.000 0.000 0.286 578 S C -0.903 173.487 174.600 -0.351 0.000 1.180 578 S CA -0.588 57.491 58.200 -0.202 0.000 1.075 578 S CB 1.435 64.552 63.200 -0.139 0.000 0.996 578 S HN 0.822 nan 8.310 nan 0.000 0.487 579 Y N 0.347 120.597 120.300 -0.082 0.000 2.322 579 Y HA 0.358 4.908 4.550 -0.000 0.000 0.324 579 Y C 0.853 176.676 175.900 -0.128 0.000 1.027 579 Y CA -1.053 56.994 58.100 -0.089 0.000 1.179 579 Y CB 0.447 38.856 38.460 -0.085 0.000 1.136 579 Y HN 0.735 nan 8.280 nan 0.000 0.449 580 T N 1.848 116.446 114.554 0.074 0.000 2.466 580 T HA -0.225 4.125 4.350 -0.000 0.000 0.342 580 T C -0.996 173.773 174.700 0.116 0.000 0.944 580 T CA 0.803 62.950 62.100 0.077 0.000 1.196 580 T CB 0.051 68.976 68.868 0.095 0.000 1.075 580 T HN 0.508 nan 8.240 nan 0.000 0.457 581 Y N 0.698 121.029 120.300 0.051 0.000 2.521 581 Y HA 0.551 5.101 4.550 -0.000 0.000 0.332 581 Y C -0.222 175.759 175.900 0.136 0.000 1.121 581 Y CA -1.251 56.891 58.100 0.070 0.000 1.037 581 Y CB 1.980 40.456 38.460 0.025 0.000 1.330 581 Y HN 0.867 nan 8.280 nan 0.000 0.452 582 E N 2.831 123.201 120.200 0.284 0.000 2.398 582 E HA 0.230 4.580 4.350 -0.000 0.000 0.280 582 E C -2.243 174.560 176.600 0.338 0.000 1.122 582 E CA -0.408 56.105 56.400 0.188 0.000 0.873 582 E CB 1.815 31.572 29.700 0.095 0.000 1.294 582 E HN 0.662 nan 8.360 nan 0.000 0.435 583 W N 2.733 124.064 121.300 0.053 0.000 4.071 583 W HA 0.212 4.872 4.660 -0.000 0.000 0.274 583 W C -1.714 174.933 176.519 0.213 0.000 1.278 583 W CA -0.394 57.071 57.345 0.199 0.000 1.258 583 W CB 1.040 30.800 29.460 0.501 0.000 1.236 583 W HN 0.582 nan 8.180 nan 0.000 0.530 584 N N 4.997 123.715 118.700 0.030 0.000 2.527 584 N HA 0.294 5.034 4.740 -0.000 0.000 0.236 584 N C -0.751 175.113 175.510 0.589 0.000 0.999 584 N CA -0.160 53.011 53.050 0.202 0.000 0.935 584 N CB 0.366 38.880 38.487 0.046 0.000 1.132 584 N HN 0.161 nan 8.380 nan 0.000 0.511 585 F N 1.998 122.086 119.950 0.231 0.000 2.382 585 F HA 0.347 4.874 4.527 -0.000 0.000 0.331 585 F C 1.319 177.168 175.800 0.082 0.000 1.121 585 F CA -1.202 56.920 58.000 0.204 0.000 1.183 585 F CB 0.926 40.022 39.000 0.160 0.000 1.207 585 F HN 0.173 nan 8.300 nan 0.000 0.555 586 R N 1.651 122.200 120.500 0.080 0.000 2.438 586 R HA 0.144 4.484 4.340 -0.000 0.000 0.287 586 R C -0.329 176.080 176.300 0.182 0.000 1.077 586 R CA -0.402 55.663 56.100 -0.059 0.000 1.034 586 R CB 0.603 30.763 30.300 -0.233 0.000 0.993 586 R HN 0.622 nan 8.270 nan 0.000 0.459 587 K N 1.204 121.721 120.400 0.195 0.000 2.726 587 K HA 0.104 4.424 4.320 -0.000 0.000 0.209 587 K C -0.750 175.912 176.600 0.103 0.000 1.082 587 K CA -0.093 56.336 56.287 0.237 0.000 1.081 587 K CB 0.367 33.047 32.500 0.299 0.000 0.830 587 K HN 0.447 nan 8.250 nan 0.000 0.470 588 D N -0.825 119.607 120.400 0.054 0.000 2.387 588 D HA 0.216 4.856 4.640 -0.000 0.000 0.255 588 D C 0.678 176.971 176.300 -0.013 0.000 1.081 588 D CA -0.348 53.652 54.000 -0.000 0.000 0.994 588 D CB 2.005 42.802 40.800 -0.006 0.000 1.127 588 D HN -0.097 nan 8.370 nan 0.000 0.513 589 V N 0.417 120.317 119.914 -0.023 0.000 3.411 589 V HA 0.159 4.279 4.120 -0.000 0.000 0.287 589 V C 1.089 177.186 176.094 0.005 0.000 1.543 589 V CA -0.239 62.050 62.300 -0.019 0.000 1.028 589 V CB -0.003 31.794 31.823 -0.044 0.000 0.840 589 V HN 0.282 nan 8.190 nan 0.000 0.435 590 N N 1.770 120.487 118.700 0.028 0.000 2.461 590 N HA 0.177 4.917 4.740 -0.000 0.000 0.188 590 N C 0.931 176.617 175.510 0.293 0.000 1.134 590 N CA 0.816 53.931 53.050 0.107 0.000 0.878 590 N CB 0.198 38.736 38.487 0.086 0.000 0.972 590 N HN 0.590 nan 8.380 nan 0.000 0.456 591 M N -1.928 117.761 119.600 0.149 0.000 4.307 591 M HA 0.266 4.746 4.480 -0.000 0.000 0.538 591 M C -0.053 176.273 176.300 0.044 0.000 1.979 591 M CA -0.047 55.318 55.300 0.109 0.000 0.596 591 M CB -0.077 32.564 32.600 0.068 0.000 1.471 591 M HN -0.096 nan 8.290 nan 0.000 0.585 592 V N -1.930 118.008 119.914 0.039 0.000 3.443 592 V HA 0.514 4.634 4.120 -0.000 0.000 0.277 592 V C -0.354 175.758 176.094 0.029 0.000 1.648 592 V CA 0.018 62.324 62.300 0.010 0.000 1.058 592 V CB 0.627 32.433 31.823 -0.027 0.000 0.877 592 V HN 0.392 nan 8.190 nan 0.000 0.417 593 L N 1.845 123.103 121.223 0.058 0.000 2.424 593 L HA 0.691 5.031 4.340 -0.000 0.000 0.258 593 L C -1.213 175.696 176.870 0.065 0.000 0.995 593 L CA -0.537 54.362 54.840 0.099 0.000 0.821 593 L CB 2.366 44.480 42.059 0.091 0.000 1.383 593 L HN 0.411 nan 8.230 nan 0.000 0.410 594 Q N 1.550 121.384 119.800 0.057 0.000 2.337 594 Q HA 0.497 4.837 4.340 -0.000 0.000 0.264 594 Q C -1.507 174.492 176.000 -0.002 0.000 1.007 594 Q CA -0.594 55.220 55.803 0.019 0.000 0.727 594 Q CB 1.977 30.737 28.738 0.037 0.000 1.256 594 Q HN 0.683 nan 8.270 nan 0.000 0.467 595 S N 1.782 117.461 115.700 -0.036 0.000 2.584 595 S HA 0.169 4.639 4.470 -0.000 0.000 0.273 595 S C 1.162 175.754 174.600 -0.014 0.000 1.311 595 S CA -0.109 58.089 58.200 -0.004 0.000 1.034 595 S CB 1.537 64.704 63.200 -0.055 0.000 0.939 595 S HN 0.808 nan 8.310 nan 0.000 0.513 596 S N 1.634 117.385 115.700 0.085 0.000 2.423 596 S HA -0.082 4.388 4.470 -0.000 0.000 0.231 596 S C 1.279 175.893 174.600 0.025 0.000 1.014 596 S CA 0.598 58.852 58.200 0.089 0.000 0.965 596 S CB -0.616 62.715 63.200 0.218 0.000 0.785 596 S HN 0.527 nan 8.310 nan 0.000 0.495 597 L N 1.401 122.614 121.223 -0.016 0.000 2.046 597 L HA 0.465 4.805 4.340 -0.000 0.000 0.203 597 L C 1.457 178.181 176.870 -0.244 0.000 1.111 597 L CA 1.646 56.427 54.840 -0.098 0.000 0.769 597 L CB -1.150 40.843 42.059 -0.110 0.000 0.914 597 L HN 0.601 nan 8.230 nan 0.000 0.448 598 G N 0.518 109.152 108.800 -0.276 0.000 2.421 598 G HA2 0.015 3.975 3.960 -0.000 0.000 0.360 598 G HA3 0.015 3.975 3.960 -0.000 0.000 0.360 598 G C -1.179 173.550 174.900 -0.286 0.000 1.219 598 G CA -0.367 44.495 45.100 -0.396 0.000 1.257 598 G HN 0.499 nan 8.290 nan 0.000 0.609 599 N N 1.709 120.262 118.700 -0.244 0.000 2.648 599 N HA 0.410 5.150 4.740 -0.000 0.000 0.261 599 N C 0.661 176.070 175.510 -0.169 0.000 1.138 599 N CA -0.167 52.755 53.050 -0.214 0.000 0.804 599 N CB 1.650 39.971 38.487 -0.277 0.000 1.237 599 N HN 0.466 nan 8.380 nan 0.000 0.532 600 D N 2.579 122.884 120.400 -0.157 0.000 2.249 600 D HA -0.296 4.344 4.640 -0.000 0.000 0.575 600 D C 0.165 176.401 176.300 -0.106 0.000 1.095 600 D CA 1.003 54.921 54.000 -0.136 0.000 1.433 600 D CB 0.010 40.714 40.800 -0.160 0.000 1.676 600 D HN 0.577 nan 8.370 nan 0.000 0.486 601 L N -1.734 119.433 121.223 -0.093 0.000 1.474 601 L HA -0.029 4.311 4.340 -0.000 0.000 0.487 601 L C 1.042 177.876 176.870 -0.060 0.000 0.833 601 L CA -0.195 54.602 54.840 -0.070 0.000 1.577 601 L CB -0.548 41.470 42.059 -0.068 0.000 1.423 601 L HN 0.272 nan 8.230 nan 0.000 0.321 602 R N -0.401 120.058 120.500 -0.067 0.000 2.300 602 R HA 0.220 4.560 4.340 -0.000 0.000 0.199 602 R C 1.241 177.548 176.300 0.010 0.000 0.920 602 R CA 1.168 57.234 56.100 -0.056 0.000 1.046 602 R CB 0.694 30.899 30.300 -0.159 0.000 0.984 602 R HN 0.431 nan 8.270 nan 0.000 0.493 603 V N -4.418 115.500 119.914 0.006 0.000 3.236 603 V HA 0.012 4.132 4.120 -0.000 0.000 0.254 603 V C 0.401 176.500 176.094 0.009 0.000 1.761 603 V CA -0.212 62.103 62.300 0.025 0.000 1.017 603 V CB 0.132 31.983 31.823 0.048 0.000 0.911 603 V HN -0.055 nan 8.190 nan 0.000 0.374 604 D N 3.314 123.710 120.400 -0.008 0.000 2.906 604 D HA 0.335 4.975 4.640 -0.000 0.000 0.237 604 D C 1.080 177.373 176.300 -0.011 0.000 1.201 604 D CA 1.521 55.514 54.000 -0.012 0.000 0.998 604 D CB -0.918 39.861 40.800 -0.035 0.000 1.183 604 D HN 1.152 nan 8.370 nan 0.000 0.436 605 G N 0.076 108.874 108.800 -0.003 0.000 2.884 605 G HA2 0.270 4.230 3.960 -0.000 0.000 0.261 605 G HA3 0.270 4.230 3.960 -0.000 0.000 0.261 605 G C -0.292 174.594 174.900 -0.024 0.000 1.025 605 G CA -0.216 44.880 45.100 -0.007 0.000 1.228 605 G HN 0.801 nan 8.290 nan 0.000 0.558 606 A N 0.420 123.230 122.820 -0.016 0.000 2.549 606 A HA 0.965 5.285 4.320 -0.000 0.000 0.297 606 A C 0.294 177.873 177.584 -0.009 0.000 1.061 606 A CA 0.276 52.297 52.037 -0.027 0.000 0.690 606 A CB 1.913 20.897 19.000 -0.026 0.000 1.287 606 A HN 1.605 nan 8.150 nan 0.000 0.402 607 S N 1.234 116.925 115.700 -0.015 0.000 2.745 607 S HA 0.221 4.691 4.470 -0.000 0.000 0.232 607 S C 0.207 174.807 174.600 -0.001 0.000 0.804 607 S CA -0.172 58.036 58.200 0.014 0.000 1.071 607 S CB -0.659 62.581 63.200 0.067 0.000 1.480 607 S HN 0.916 nan 8.310 nan 0.000 0.467 608 I N 0.417 120.951 120.570 -0.059 0.000 3.433 608 I HA 0.641 4.811 4.170 -0.000 0.000 0.265 608 I C -0.326 175.689 176.117 -0.170 0.000 1.186 608 I CA -0.420 60.801 61.300 -0.131 0.000 1.008 608 I CB 0.848 38.721 38.000 -0.212 0.000 1.552 608 I HN 0.254 nan 8.210 nan 0.000 0.790 609 K N 1.085 121.306 120.400 -0.298 0.000 2.639 609 K HA 0.345 4.665 4.320 -0.000 0.000 0.279 609 K C -2.158 174.178 176.600 -0.441 0.000 0.976 609 K CA -0.645 55.471 56.287 -0.286 0.000 0.861 609 K CB 0.766 33.195 32.500 -0.117 0.000 1.436 609 K HN 0.472 nan 8.250 nan 0.000 0.400 610 F N 3.008 122.834 119.950 -0.206 0.000 2.384 610 F HA 0.222 4.749 4.527 -0.000 0.000 0.359 610 F C 1.011 176.687 175.800 -0.207 0.000 1.143 610 F CA -0.444 57.370 58.000 -0.310 0.000 1.216 610 F CB 0.440 39.001 39.000 -0.732 0.000 1.512 610 F HN 0.804 nan 8.300 nan 0.000 0.573 611 D N 1.349 121.726 120.400 -0.038 0.000 1.803 611 D HA -0.140 4.500 4.640 -0.000 0.000 0.290 611 D C 0.448 176.753 176.300 0.009 0.000 1.322 611 D CA 1.609 55.591 54.000 -0.030 0.000 1.110 611 D CB 0.302 41.059 40.800 -0.071 0.000 1.956 611 D HN 0.258 nan 8.370 nan 0.000 0.645 612 S N -0.275 115.436 115.700 0.020 0.000 2.139 612 S HA 0.262 4.732 4.470 -0.000 0.000 0.183 612 S C 0.296 174.947 174.600 0.087 0.000 1.473 612 S CA -0.548 57.679 58.200 0.045 0.000 1.263 612 S CB -0.330 62.897 63.200 0.046 0.000 1.170 612 S HN 0.395 nan 8.310 nan 0.000 0.430 613 I N -1.456 119.167 120.570 0.088 0.000 3.434 613 I HA 0.271 4.441 4.170 -0.000 0.000 0.212 613 I C 0.573 176.792 176.117 0.170 0.000 1.348 613 I CA -0.128 61.269 61.300 0.162 0.000 0.948 613 I CB 0.139 38.226 38.000 0.144 0.000 1.607 613 I HN 0.391 nan 8.210 nan 0.000 0.907 614 C N -0.573 118.886 119.300 0.264 0.000 3.975 614 C HA 0.794 5.254 4.460 -0.000 0.000 0.235 614 C C -0.495 174.644 174.990 0.247 0.000 4.923 614 C CA -0.207 58.937 59.018 0.210 0.000 1.452 614 C CB 0.394 28.300 27.740 0.276 0.000 5.065 614 C HN 0.972 nan 8.230 nan 0.000 0.455 615 L N -0.733 120.560 121.223 0.118 0.000 3.196 615 L HA 0.557 4.897 4.340 -0.000 0.000 0.224 615 L C -2.220 174.252 176.870 -0.664 0.000 0.998 615 L CA -0.120 54.805 54.840 0.142 0.000 1.067 615 L CB 0.565 42.843 42.059 0.365 0.000 1.467 615 L HN 0.748 nan 8.230 nan 0.000 0.412 616 Y N 1.450 121.767 120.300 0.029 0.000 2.967 616 Y HA 0.988 5.538 4.550 -0.000 0.000 0.311 616 Y C -0.063 175.836 175.900 -0.001 0.000 1.555 616 Y CA -0.300 57.730 58.100 -0.117 0.000 1.084 616 Y CB 1.383 39.523 38.460 -0.535 0.000 1.508 616 Y HN 1.167 nan 8.280 nan 0.000 0.457 617 A N -0.248 122.670 122.820 0.165 0.000 2.586 617 A HA 0.564 4.884 4.320 -0.000 0.000 0.303 617 A C -1.223 176.449 177.584 0.147 0.000 0.915 617 A CA -0.324 51.810 52.037 0.162 0.000 0.626 617 A CB -0.159 18.942 19.000 0.168 0.000 1.331 617 A HN 0.965 nan 8.150 nan 0.000 0.424 618 T N -0.411 114.232 114.554 0.149 0.000 2.804 618 T HA 0.969 5.319 4.350 -0.000 0.000 0.290 618 T C -0.399 174.433 174.700 0.220 0.000 1.099 618 T CA -0.049 62.077 62.100 0.044 0.000 1.011 618 T CB 1.214 70.050 68.868 -0.053 0.000 1.291 618 T HN 1.827 nan 8.240 nan 0.000 0.523 619 F N -1.639 118.334 119.950 0.038 0.000 2.950 619 F HA 0.832 5.359 4.527 -0.000 0.000 0.327 619 F C -1.352 174.489 175.800 0.067 0.000 1.197 619 F CA -2.049 55.988 58.000 0.063 0.000 0.954 619 F CB 0.409 39.468 39.000 0.097 0.000 1.442 619 F HN 0.468 nan 8.300 nan 0.000 0.509 620 F N 1.995 122.123 119.950 0.296 0.000 2.396 620 F HA 0.562 5.089 4.527 -0.000 0.000 0.343 620 F C -2.140 173.758 175.800 0.162 0.000 1.104 620 F CA -2.921 55.178 58.000 0.164 0.000 1.161 620 F CB 1.001 40.081 39.000 0.133 0.000 1.146 620 F HN 0.137 nan 8.300 nan 0.000 0.522 621 P HA 0.235 nan 4.420 nan 0.000 0.225 621 P C -1.423 175.984 177.300 0.179 0.000 1.830 621 P CA -0.262 62.993 63.100 0.258 0.000 1.051 621 P CB -0.098 31.693 31.700 0.151 0.000 1.929 622 M N -1.273 118.392 119.600 0.108 0.000 2.550 622 M HA 0.741 5.221 4.480 -0.000 0.000 0.292 622 M C -0.626 175.593 176.300 -0.136 0.000 1.221 622 M CA -1.995 53.290 55.300 -0.025 0.000 0.873 622 M CB 0.809 33.351 32.600 -0.096 0.000 1.727 622 M HN -0.106 nan 8.290 nan 0.000 0.459 623 A N 0.704 123.402 122.820 -0.204 0.000 2.915 623 A HA 0.392 4.712 4.320 -0.000 0.000 0.292 623 A C -0.252 177.122 177.584 -0.350 0.000 1.632 623 A CA -0.427 51.375 52.037 -0.391 0.000 1.337 623 A CB -1.906 16.961 19.000 -0.222 0.000 1.111 623 A HN 1.029 nan 8.150 nan 0.000 0.569 624 H N 1.471 120.540 119.070 -0.000 0.000 1.865 624 H HA -0.275 4.281 4.556 -0.000 0.000 0.346 624 H C 1.299 176.611 175.328 -0.027 0.000 0.871 624 H CA 0.360 56.400 56.048 -0.013 0.000 1.116 624 H CB -1.154 28.605 29.762 -0.005 0.000 1.559 624 H HN 0.763 nan 8.280 nan 0.000 0.328 625 N N 0.780 119.480 118.700 0.000 0.000 2.000 625 N HA -0.171 4.569 4.740 -0.000 0.000 0.197 625 N C 2.096 177.605 175.510 -0.001 0.000 1.076 625 N CA 2.215 55.253 53.050 -0.020 0.000 0.869 625 N CB -0.806 37.642 38.487 -0.065 0.000 1.068 625 N HN 0.677 nan 8.380 nan 0.000 0.426 626 T N -2.458 112.083 114.554 -0.021 0.000 3.065 626 T HA 0.466 4.816 4.350 -0.000 0.000 0.252 626 T C 1.885 176.587 174.700 0.004 0.000 1.099 626 T CA 0.523 62.614 62.100 -0.016 0.000 1.063 626 T CB -0.164 68.681 68.868 -0.039 0.000 0.948 626 T HN 0.335 nan 8.240 nan 0.000 0.506 627 A N 1.866 124.702 122.820 0.026 0.000 2.001 627 A HA -0.217 4.103 4.320 -0.000 0.000 0.224 627 A C 2.621 180.219 177.584 0.024 0.000 1.203 627 A CA 2.415 54.483 52.037 0.052 0.000 0.667 627 A CB -1.361 17.734 19.000 0.157 0.000 0.823 627 A HN 0.534 nan 8.150 nan 0.000 0.473 628 S N -2.214 113.501 115.700 0.025 0.000 2.425 628 S HA -0.005 4.465 4.470 -0.000 0.000 0.225 628 S C 1.914 176.514 174.600 -0.000 0.000 1.024 628 S CA 1.272 59.471 58.200 -0.001 0.000 0.951 628 S CB -0.315 62.885 63.200 -0.000 0.000 0.796 628 S HN 0.729 nan 8.310 nan 0.000 0.498 629 T N 3.384 117.940 114.554 0.003 0.000 2.645 629 T HA -0.002 4.348 4.350 -0.000 0.000 0.233 629 T C 1.657 176.358 174.700 0.002 0.000 1.158 629 T CA 0.988 63.088 62.100 0.000 0.000 1.610 629 T CB -0.677 68.188 68.868 -0.006 0.000 1.059 629 T HN 0.104 nan 8.240 nan 0.000 0.395 630 L N 1.771 122.993 121.223 -0.002 0.000 2.143 630 L HA -0.266 4.074 4.340 -0.000 0.000 0.231 630 L C 2.439 179.314 176.870 0.008 0.000 1.106 630 L CA 1.815 56.656 54.840 0.001 0.000 0.827 630 L CB -1.607 40.450 42.059 -0.004 0.000 0.915 630 L HN 0.517 nan 8.230 nan 0.000 0.448 631 E N -0.130 120.074 120.200 0.007 0.000 2.081 631 E HA -0.359 3.991 4.350 -0.000 0.000 0.235 631 E C 1.942 178.551 176.600 0.016 0.000 1.043 631 E CA 2.432 58.837 56.400 0.009 0.000 0.924 631 E CB -0.236 29.464 29.700 -0.001 0.000 0.821 631 E HN 0.447 nan 8.360 nan 0.000 0.517 632 A N 0.989 123.818 122.820 0.015 0.000 2.076 632 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 632 A C 2.050 179.649 177.584 0.025 0.000 1.160 632 A CA 1.799 53.852 52.037 0.025 0.000 0.653 632 A CB -0.793 18.220 19.000 0.021 0.000 0.801 632 A HN 0.538 nan 8.150 nan 0.000 0.455 633 M N -1.556 118.054 119.600 0.017 0.000 3.663 633 M HA 0.460 4.940 4.480 -0.000 0.000 0.198 633 M C 0.079 176.389 176.300 0.017 0.000 1.365 633 M CA 0.842 56.152 55.300 0.016 0.000 1.595 633 M CB 0.245 32.851 32.600 0.009 0.000 1.120 633 M HN 0.071 nan 8.290 nan 0.000 0.522 634 L N -0.446 120.791 121.223 0.023 0.000 4.183 634 L HA 0.254 4.594 4.340 -0.000 0.000 0.406 634 L C 0.936 177.829 176.870 0.039 0.000 1.119 634 L CA 0.227 55.084 54.840 0.027 0.000 1.467 634 L CB 0.143 42.217 42.059 0.024 0.000 1.684 634 L HN 0.580 nan 8.230 nan 0.000 0.633 635 R N 0.330 120.845 120.500 0.025 0.000 2.366 635 R HA -0.036 4.304 4.340 -0.000 0.000 0.201 635 R C 0.608 176.921 176.300 0.021 0.000 1.057 635 R CA 0.030 56.126 56.100 -0.007 0.000 1.086 635 R CB -0.391 29.898 30.300 -0.018 0.000 0.914 635 R HN 0.350 nan 8.270 nan 0.000 0.476 636 N N 0.365 119.099 118.700 0.057 0.000 2.250 636 N HA -0.082 4.658 4.740 -0.000 0.000 0.256 636 N C 0.648 176.247 175.510 0.148 0.000 1.302 636 N CA 0.550 53.643 53.050 0.071 0.000 0.894 636 N CB 0.328 38.839 38.487 0.040 0.000 1.067 636 N HN -0.054 nan 8.380 nan 0.000 0.487 637 D N -2.034 118.418 120.400 0.087 0.000 2.457 637 D HA 0.134 4.774 4.640 -0.000 0.000 0.254 637 D C -0.064 176.211 176.300 -0.042 0.000 1.097 637 D CA 0.655 54.665 54.000 0.017 0.000 0.870 637 D CB 0.449 41.258 40.800 0.015 0.000 1.253 637 D HN 0.383 nan 8.370 nan 0.000 0.500 638 T N 0.561 115.106 114.554 -0.014 0.000 3.215 638 T HA 0.261 4.611 4.350 -0.000 0.000 0.271 638 T C -0.285 174.404 174.700 -0.019 0.000 1.012 638 T CA -0.297 61.787 62.100 -0.025 0.000 0.899 638 T CB 0.163 69.019 68.868 -0.020 0.000 1.089 638 T HN -0.083 nan 8.240 nan 0.000 0.552 639 N N 2.094 120.790 118.700 -0.006 0.000 2.685 639 N HA 0.368 5.108 4.740 -0.000 0.000 0.252 639 N C -1.221 174.294 175.510 0.009 0.000 1.261 639 N CA -0.333 52.715 53.050 -0.003 0.000 0.768 639 N CB 1.442 39.932 38.487 0.005 0.000 1.304 639 N HN 0.067 nan 8.380 nan 0.000 0.536 640 D N 0.145 120.543 120.400 -0.004 0.000 4.018 640 D HA 0.328 4.968 4.640 -0.000 0.000 0.260 640 D C -0.566 175.729 176.300 -0.008 0.000 1.574 640 D CA -0.010 53.995 54.000 0.007 0.000 1.019 640 D CB 0.803 41.611 40.800 0.014 0.000 1.362 640 D HN 0.268 nan 8.370 nan 0.000 0.648 641 Q N -0.494 119.302 119.800 -0.007 0.000 2.534 641 Q HA 0.650 4.990 4.340 -0.000 0.000 0.290 641 Q C -1.476 174.517 176.000 -0.012 0.000 0.991 641 Q CA -0.345 55.450 55.803 -0.014 0.000 0.783 641 Q CB 2.157 30.909 28.738 0.024 0.000 1.470 641 Q HN 0.287 nan 8.270 nan 0.000 0.406 642 S N 0.216 115.895 115.700 -0.034 0.000 3.144 642 S HA 0.846 5.316 4.470 -0.000 0.000 0.325 642 S C -1.861 172.783 174.600 0.072 0.000 1.161 642 S CA -0.429 57.760 58.200 -0.020 0.000 0.920 642 S CB 0.789 63.934 63.200 -0.093 0.000 1.340 642 S HN 0.598 nan 8.310 nan 0.000 0.681 643 F N 1.664 121.556 119.950 -0.096 0.000 2.507 643 F HA 0.003 4.530 4.527 -0.000 0.000 0.278 643 F C 0.169 175.854 175.800 -0.192 0.000 0.898 643 F CA -0.688 57.242 58.000 -0.117 0.000 0.882 643 F CB 0.279 39.230 39.000 -0.083 0.000 1.654 643 F HN 0.735 nan 8.300 nan 0.000 0.576 644 N N 2.331 121.090 118.700 0.099 0.000 2.237 644 N HA 0.072 4.812 4.740 -0.000 0.000 0.261 644 N C -0.958 174.418 175.510 -0.222 0.000 1.267 644 N CA 0.770 53.754 53.050 -0.110 0.000 0.901 644 N CB 0.594 39.030 38.487 -0.086 0.000 0.986 644 N HN 0.649 nan 8.380 nan 0.000 0.450 645 D N -1.602 118.694 120.400 -0.172 0.000 2.484 645 D HA 0.121 4.761 4.640 -0.000 0.000 0.206 645 D C -0.138 176.192 176.300 0.050 0.000 1.322 645 D CA -0.427 53.481 54.000 -0.153 0.000 0.913 645 D CB -0.228 40.339 40.800 -0.388 0.000 1.559 645 D HN 0.521 nan 8.370 nan 0.000 0.565 646 Y N 2.170 122.430 120.300 -0.067 0.000 2.298 646 Y HA -0.251 4.299 4.550 -0.000 0.000 0.287 646 Y C 1.993 177.877 175.900 -0.027 0.000 1.164 646 Y CA 1.085 59.167 58.100 -0.030 0.000 1.229 646 Y CB 0.459 38.906 38.460 -0.021 0.000 0.977 646 Y HN 0.513 nan 8.280 nan 0.000 0.538 647 L N -0.618 120.670 121.223 0.109 0.000 2.127 647 L HA 0.040 4.380 4.340 -0.000 0.000 0.203 647 L C 1.335 178.224 176.870 0.031 0.000 1.080 647 L CA 0.819 55.685 54.840 0.044 0.000 0.768 647 L CB -0.490 41.595 42.059 0.044 0.000 0.924 647 L HN -0.215 nan 8.230 nan 0.000 0.444 648 S N 1.508 117.212 115.700 0.006 0.000 3.636 648 S HA 0.022 4.492 4.470 -0.000 0.000 0.142 648 S C 0.161 174.780 174.600 0.032 0.000 0.328 648 S CA 0.530 58.734 58.200 0.008 0.000 1.415 648 S CB -1.520 61.752 63.200 0.120 0.000 1.171 648 S HN 0.748 nan 8.310 nan 0.000 0.260 649 A N 1.734 124.584 122.820 0.050 0.000 2.498 649 A HA 0.871 5.191 4.320 -0.000 0.000 0.298 649 A C -0.359 177.267 177.584 0.069 0.000 1.075 649 A CA -0.190 51.871 52.037 0.041 0.000 0.714 649 A CB 1.674 20.701 19.000 0.044 0.000 1.299 649 A HN 1.007 nan 8.150 nan 0.000 0.407 650 A N 2.063 124.928 122.820 0.074 0.000 2.271 650 A HA 0.654 4.974 4.320 -0.000 0.000 0.317 650 A C -0.663 177.091 177.584 0.283 0.000 1.245 650 A CA -0.758 51.299 52.037 0.032 0.000 0.857 650 A CB 0.280 19.033 19.000 -0.411 0.000 1.175 650 A HN 0.720 nan 8.150 nan 0.000 0.512 651 N N 4.057 122.859 118.700 0.170 0.000 2.476 651 N HA 0.368 5.108 4.740 -0.000 0.000 0.257 651 N C -0.551 175.015 175.510 0.093 0.000 0.970 651 N CA -0.271 52.874 53.050 0.159 0.000 0.938 651 N CB 1.720 40.308 38.487 0.168 0.000 1.144 651 N HN 0.631 nan 8.380 nan 0.000 0.500 652 M N 1.157 120.797 119.600 0.066 0.000 2.492 652 M HA 0.574 5.054 4.480 -0.000 0.000 0.238 652 M C -0.834 175.419 176.300 -0.079 0.000 0.928 652 M CA -0.733 54.549 55.300 -0.031 0.000 1.392 652 M CB 1.174 33.755 32.600 -0.031 0.000 1.317 652 M HN 0.287 nan 8.290 nan 0.000 0.739 653 L N 0.525 121.619 121.223 -0.215 0.000 2.751 653 L HA 0.351 4.691 4.340 -0.000 0.000 0.261 653 L C -2.242 174.406 176.870 -0.371 0.000 0.927 653 L CA -0.339 54.378 54.840 -0.204 0.000 0.968 653 L CB 2.064 44.051 42.059 -0.120 0.000 1.432 653 L HN 0.721 nan 8.230 nan 0.000 0.439 654 Y N 3.904 124.227 120.300 0.037 0.000 2.362 654 Y HA 0.390 4.940 4.550 -0.000 0.000 0.326 654 Y C -2.187 173.731 175.900 0.029 0.000 1.083 654 Y CA -1.332 56.796 58.100 0.046 0.000 1.073 654 Y CB 2.622 41.125 38.460 0.072 0.000 1.211 654 Y HN 0.410 nan 8.280 nan 0.000 0.433 655 P HA 0.455 nan 4.420 nan 0.000 0.328 655 P C -0.872 176.479 177.300 0.086 0.000 1.305 655 P CA -0.423 62.731 63.100 0.091 0.000 0.745 655 P CB 2.006 33.740 31.700 0.057 0.000 1.462 656 I N 0.103 120.708 120.570 0.057 0.000 2.478 656 I HA 0.225 4.395 4.170 -0.000 0.000 0.287 656 I C -2.172 173.970 176.117 0.041 0.000 1.042 656 I CA -2.348 58.986 61.300 0.056 0.000 1.067 656 I CB 2.826 40.858 38.000 0.052 0.000 1.233 656 I HN 0.152 nan 8.210 nan 0.000 0.431 657 P HA 0.238 nan 4.420 nan 0.000 0.243 657 P C -0.401 176.915 177.300 0.028 0.000 1.668 657 P CA 0.046 63.165 63.100 0.032 0.000 0.898 657 P CB 0.158 31.878 31.700 0.033 0.000 1.637 658 A N 1.439 124.276 122.820 0.027 0.000 2.203 658 A HA -0.116 4.204 4.320 -0.000 0.000 0.335 658 A C 0.684 178.286 177.584 0.031 0.000 1.146 658 A CA 0.038 52.090 52.037 0.024 0.000 0.628 658 A CB -2.674 16.338 19.000 0.020 0.000 1.787 658 A HN 0.560 nan 8.150 nan 0.000 0.321 659 N N -2.600 116.120 118.700 0.033 0.000 2.782 659 N HA -0.098 4.642 4.740 -0.000 0.000 0.251 659 N C 0.276 175.816 175.510 0.051 0.000 1.101 659 N CA 0.941 54.014 53.050 0.039 0.000 0.764 659 N CB -1.634 36.875 38.487 0.036 0.000 1.122 659 N HN 2.374 nan 8.380 nan 0.000 0.561 660 A N 0.656 123.511 122.820 0.058 0.000 2.505 660 A HA 0.261 4.581 4.320 -0.000 0.000 0.271 660 A C 1.601 179.238 177.584 0.088 0.000 1.112 660 A CA 0.878 52.956 52.037 0.068 0.000 0.781 660 A CB 0.301 19.343 19.000 0.071 0.000 1.059 660 A HN 0.404 nan 8.150 nan 0.000 0.508 661 T N 2.063 116.667 114.554 0.082 0.000 2.770 661 T HA -0.096 4.254 4.350 -0.000 0.000 0.263 661 T C 0.851 175.621 174.700 0.117 0.000 1.039 661 T CA 1.340 63.499 62.100 0.098 0.000 1.142 661 T CB -0.337 68.579 68.868 0.080 0.000 0.868 661 T HN 0.710 nan 8.240 nan 0.000 0.435 662 N N 0.718 119.475 118.700 0.095 0.000 2.426 662 N HA 0.412 5.152 4.740 -0.000 0.000 0.275 662 N C -1.306 174.263 175.510 0.099 0.000 1.019 662 N CA -0.412 52.693 53.050 0.092 0.000 0.941 662 N CB 1.382 39.905 38.487 0.060 0.000 1.123 662 N HN 0.252 nan 8.380 nan 0.000 0.486 663 V N 2.181 122.171 119.914 0.127 0.000 2.658 663 V HA 0.334 4.454 4.120 -0.000 0.000 0.259 663 V C -2.563 173.605 176.094 0.124 0.000 0.933 663 V CA -1.425 60.963 62.300 0.146 0.000 0.871 663 V CB 0.529 32.482 31.823 0.217 0.000 1.062 663 V HN 0.545 nan 8.190 nan 0.000 0.479 664 P HA 0.541 nan 4.420 nan 0.000 0.339 664 P C 0.006 177.240 177.300 -0.110 0.000 1.376 664 P CA -0.032 62.981 63.100 -0.146 0.000 0.797 664 P CB 0.812 32.439 31.700 -0.122 0.000 1.872 665 I N -3.792 116.675 120.570 -0.171 0.000 3.244 665 I HA 0.220 4.390 4.170 -0.000 0.000 0.314 665 I C -0.895 175.071 176.117 -0.251 0.000 1.342 665 I CA -0.681 60.469 61.300 -0.249 0.000 0.925 665 I CB 1.714 39.559 38.000 -0.259 0.000 1.321 665 I HN -0.036 nan 8.210 nan 0.000 0.500 666 S N 2.955 118.434 115.700 -0.369 0.000 2.395 666 S HA 0.534 5.004 4.470 -0.000 0.000 0.207 666 S C -0.671 173.869 174.600 -0.099 0.000 1.454 666 S CA -0.515 57.571 58.200 -0.190 0.000 1.211 666 S CB -0.042 63.077 63.200 -0.136 0.000 1.093 666 S HN 0.306 nan 8.310 nan 0.000 0.472 667 I N 3.075 123.642 120.570 -0.004 0.000 2.353 667 I HA 0.456 4.626 4.170 -0.000 0.000 0.293 667 I C -2.152 174.057 176.117 0.153 0.000 0.992 667 I CA -2.495 58.895 61.300 0.149 0.000 1.268 667 I CB 0.070 38.171 38.000 0.170 0.000 1.387 667 I HN 0.234 nan 8.210 nan 0.000 0.478 668 P HA 0.236 nan 4.420 nan 0.000 0.288 668 P C 0.380 177.772 177.300 0.152 0.000 1.291 668 P CA -0.263 62.923 63.100 0.143 0.000 0.766 668 P CB 0.549 32.321 31.700 0.120 0.000 1.242 669 S N -0.490 115.274 115.700 0.107 0.000 2.121 669 S HA 0.412 4.882 4.470 -0.000 0.000 0.211 669 S C -0.099 174.588 174.600 0.144 0.000 1.316 669 S CA 0.205 58.494 58.200 0.149 0.000 1.061 669 S CB -0.200 63.057 63.200 0.095 0.000 0.831 669 S HN 0.413 nan 8.310 nan 0.000 0.419 670 R N -0.309 120.192 120.500 0.001 0.000 4.190 670 R HA 0.056 4.396 4.340 -0.000 0.000 0.192 670 R C -1.544 174.320 176.300 -0.727 0.000 0.729 670 R CA -0.507 55.480 56.100 -0.189 0.000 0.641 670 R CB -1.050 29.240 30.300 -0.017 0.000 1.401 670 R HN 0.693 nan 8.270 nan 0.000 0.398 671 N N 0.160 118.413 118.700 -0.745 0.000 2.354 671 N HA 0.258 4.998 4.740 -0.000 0.000 0.287 671 N C 0.510 175.613 175.510 -0.678 0.000 1.016 671 N CA -0.292 51.986 53.050 -1.286 0.000 0.871 671 N CB 0.823 38.875 38.487 -0.725 0.000 1.299 671 N HN 0.466 nan 8.380 nan 0.000 0.482 672 W N 2.034 123.443 121.300 0.182 0.000 2.424 672 W HA 0.063 4.723 4.660 -0.000 0.000 0.264 672 W C 1.140 177.904 176.519 0.407 0.000 1.229 672 W CA -0.665 56.895 57.345 0.359 0.000 1.208 672 W CB 0.004 29.661 29.460 0.328 0.000 1.127 672 W HN 0.401 nan 8.180 nan 0.000 0.588 673 A N 1.611 124.540 122.820 0.182 0.000 2.915 673 A HA 0.624 4.944 4.320 -0.000 0.000 0.292 673 A C 0.329 177.996 177.584 0.139 0.000 1.632 673 A CA 0.375 52.522 52.037 0.183 0.000 1.337 673 A CB -1.056 17.980 19.000 0.061 0.000 1.111 673 A HN 0.672 nan 8.150 nan 0.000 0.569 674 A N 1.638 124.564 122.820 0.178 0.000 1.004 674 A HA 0.530 4.850 4.320 -0.000 0.000 0.202 674 A C -0.537 177.072 177.584 0.042 0.000 0.826 674 A CA -0.122 51.981 52.037 0.110 0.000 0.508 674 A CB -0.946 18.115 19.000 0.101 0.000 0.551 674 A HN 2.496 nan 8.150 nan 0.000 0.325 675 F N 0.070 119.806 119.950 -0.357 0.000 2.184 675 F HA 0.413 4.940 4.527 -0.000 0.000 0.318 675 F C -1.005 174.062 175.800 -1.220 0.000 0.851 675 F CA 0.223 57.576 58.000 -1.079 0.000 0.912 675 F CB -0.237 38.222 39.000 -0.902 0.000 4.134 675 F HN 1.742 nan 8.300 nan 0.000 0.138 676 R N 2.817 122.457 120.500 -1.433 0.000 2.446 676 R HA 0.531 4.871 4.340 -0.000 0.000 0.194 676 R C -1.042 174.840 176.300 -0.696 0.000 1.204 676 R CA 0.116 55.589 56.100 -1.044 0.000 0.763 676 R CB 0.575 30.626 30.300 -0.416 0.000 1.430 676 R HN 2.512 nan 8.270 nan 0.000 0.339 677 G N 2.342 110.653 108.800 -0.814 0.000 2.378 677 G HA2 0.344 4.304 3.960 -0.000 0.000 0.302 677 G HA3 0.344 4.304 3.960 -0.000 0.000 0.302 677 G C -1.781 172.686 174.900 -0.721 0.000 1.669 677 G CA -0.674 44.029 45.100 -0.660 0.000 0.920 677 G HN 0.160 nan 8.290 nan 0.000 0.697 678 W N -0.182 121.204 121.300 0.142 0.000 3.163 678 W HA 0.892 5.552 4.660 -0.000 0.000 0.395 678 W C 0.374 177.007 176.519 0.189 0.000 1.100 678 W CA -0.175 57.231 57.345 0.102 0.000 1.134 678 W CB 1.474 30.976 29.460 0.070 0.000 1.496 678 W HN 1.926 nan 8.180 nan 0.000 0.605 679 A N 0.076 123.201 122.820 0.508 0.000 2.467 679 A HA 0.509 4.829 4.320 -0.000 0.000 0.302 679 A C -1.678 176.348 177.584 0.736 0.000 0.917 679 A CA -0.225 52.274 52.037 0.769 0.000 0.560 679 A CB -0.234 18.887 19.000 0.201 0.000 1.452 679 A HN 1.278 nan 8.150 nan 0.000 0.493 680 F N -3.561 116.657 119.950 0.447 0.000 3.548 680 F HA 0.902 5.429 4.527 -0.000 0.000 0.326 680 F C -0.758 175.389 175.800 0.578 0.000 1.036 680 F CA -0.186 58.015 58.000 0.335 0.000 0.820 680 F CB 0.199 39.305 39.000 0.177 0.000 1.590 680 F HN 1.602 nan 8.300 nan 0.000 0.460 681 T N 0.071 114.954 114.554 0.548 0.000 2.927 681 T HA 0.453 4.803 4.350 -0.000 0.000 0.350 681 T C -1.924 172.867 174.700 0.152 0.000 1.746 681 T CA -0.769 61.489 62.100 0.264 0.000 1.081 681 T CB 1.298 70.434 68.868 0.447 0.000 1.551 681 T HN 1.091 nan 8.240 nan 0.000 0.489 682 R N 3.583 124.187 120.500 0.174 0.000 2.593 682 R HA 0.635 4.975 4.340 -0.000 0.000 0.282 682 R C -0.288 175.972 176.300 -0.068 0.000 1.300 682 R CA -0.545 55.631 56.100 0.126 0.000 1.221 682 R CB -0.186 30.287 30.300 0.289 0.000 1.157 682 R HN 0.297 nan 8.270 nan 0.000 0.555 683 L N 1.894 123.033 121.223 -0.139 0.000 2.600 683 L HA 0.393 4.733 4.340 -0.000 0.000 0.221 683 L C -0.006 176.807 176.870 -0.094 0.000 1.197 683 L CA -0.084 54.663 54.840 -0.155 0.000 0.838 683 L CB 0.641 42.544 42.059 -0.260 0.000 1.474 683 L HN 0.515 nan 8.230 nan 0.000 0.514 684 K N -1.427 118.923 120.400 -0.083 0.000 2.378 684 K HA 0.331 4.651 4.320 -0.000 0.000 0.252 684 K C -0.332 176.222 176.600 -0.076 0.000 0.931 684 K CA -0.345 55.903 56.287 -0.065 0.000 0.794 684 K CB 1.731 34.198 32.500 -0.055 0.000 1.181 684 K HN 0.492 nan 8.250 nan 0.000 0.425 685 T N 1.553 116.076 114.554 -0.053 0.000 3.658 685 T HA -0.020 4.330 4.350 -0.000 0.000 0.250 685 T C 0.844 175.527 174.700 -0.027 0.000 1.060 685 T CA 0.568 62.645 62.100 -0.038 0.000 0.962 685 T CB -0.315 68.542 68.868 -0.018 0.000 1.075 685 T HN 0.508 nan 8.240 nan 0.000 0.610 686 K N 0.954 121.316 120.400 -0.064 0.000 2.494 686 K HA 0.177 4.497 4.320 -0.000 0.000 0.201 686 K C 1.775 178.275 176.600 -0.166 0.000 1.338 686 K CA -0.140 56.089 56.287 -0.096 0.000 0.935 686 K CB 0.380 32.785 32.500 -0.159 0.000 1.514 686 K HN 0.049 nan 8.250 nan 0.000 0.490 687 E N 0.762 120.802 120.200 -0.267 0.000 2.333 687 E HA -0.083 4.267 4.350 -0.000 0.000 0.200 687 E C -0.413 176.168 176.600 -0.033 0.000 1.010 687 E CA 1.214 57.426 56.400 -0.312 0.000 0.841 687 E CB -0.010 29.607 29.700 -0.139 0.000 0.757 687 E HN 0.400 nan 8.360 nan 0.000 0.508 688 T N -1.059 113.467 114.554 -0.046 0.000 2.886 688 T HA 0.324 4.674 4.350 -0.000 0.000 0.330 688 T C -2.672 171.847 174.700 -0.301 0.000 1.488 688 T CA -1.340 60.623 62.100 -0.229 0.000 1.054 688 T CB 2.402 71.151 68.868 -0.198 0.000 1.348 688 T HN -0.178 nan 8.240 nan 0.000 0.489 689 P HA 0.658 nan 4.420 nan 0.000 0.340 689 P C -0.511 176.677 177.300 -0.186 0.000 1.299 689 P CA -0.494 62.411 63.100 -0.325 0.000 0.813 689 P CB 0.919 32.327 31.700 -0.486 0.000 1.911 690 S N -1.206 114.436 115.700 -0.097 0.000 2.621 690 S HA 0.422 4.892 4.470 -0.000 0.000 0.302 690 S C 0.530 175.125 174.600 -0.008 0.000 1.093 690 S CA -0.510 57.667 58.200 -0.039 0.000 1.017 690 S CB 0.421 63.627 63.200 0.010 0.000 1.077 690 S HN 0.300 nan 8.310 nan 0.000 0.517 691 L N 3.501 124.739 121.223 0.025 0.000 2.316 691 L HA 0.400 4.740 4.340 -0.000 0.000 0.207 691 L C 2.151 179.098 176.870 0.128 0.000 1.070 691 L CA 1.872 56.773 54.840 0.103 0.000 0.820 691 L CB -1.502 40.621 42.059 0.106 0.000 0.992 691 L HN 0.850 nan 8.230 nan 0.000 0.466 692 G N -0.564 108.268 108.800 0.054 0.000 2.553 692 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 692 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 692 G C 1.308 176.216 174.900 0.013 0.000 1.195 692 G CA 1.083 46.189 45.100 0.009 0.000 0.779 692 G HN 0.446 nan 8.290 nan 0.000 0.577 693 S N -0.500 115.229 115.700 0.049 0.000 2.585 693 S HA 0.360 4.830 4.470 -0.000 0.000 0.233 693 S C 1.629 176.328 174.600 0.166 0.000 1.478 693 S CA 1.469 59.709 58.200 0.067 0.000 1.761 693 S CB -0.397 62.846 63.200 0.073 0.000 0.471 693 S HN 1.114 nan 8.310 nan 0.000 0.368 694 G N -1.170 107.753 108.800 0.206 0.000 3.979 694 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.113 694 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.113 694 G C -0.640 174.409 174.900 0.247 0.000 1.904 694 G CA -0.350 44.946 45.100 0.327 0.000 0.982 694 G HN 0.489 nan 8.290 nan 0.000 0.300 695 Y N 4.205 124.585 120.300 0.133 0.000 2.573 695 Y HA 0.434 4.984 4.550 -0.000 0.000 0.346 695 Y C -0.188 175.737 175.900 0.041 0.000 1.198 695 Y CA -0.736 57.425 58.100 0.102 0.000 1.627 695 Y CB -0.143 38.365 38.460 0.079 0.000 1.457 695 Y HN 0.083 nan 8.280 nan 0.000 0.483 696 D N 7.478 127.928 120.400 0.083 0.000 2.339 696 D HA 0.055 4.695 4.640 -0.000 0.000 0.256 696 D C -1.699 174.625 176.300 0.040 0.000 1.214 696 D CA -1.061 53.001 54.000 0.103 0.000 0.877 696 D CB 1.739 42.661 40.800 0.204 0.000 1.111 696 D HN 0.371 nan 8.370 nan 0.000 0.478 697 P HA -0.007 nan 4.420 nan 0.000 0.224 697 P C 0.622 177.828 177.300 -0.157 0.000 1.159 697 P CA 0.484 63.482 63.100 -0.170 0.000 0.824 697 P CB 0.259 31.694 31.700 -0.442 0.000 0.833 698 Y N -1.589 118.781 120.300 0.116 0.000 2.466 698 Y HA 0.216 4.766 4.550 -0.000 0.000 0.272 698 Y C 0.608 176.580 175.900 0.120 0.000 1.169 698 Y CA -0.927 57.228 58.100 0.092 0.000 1.285 698 Y CB -0.864 37.645 38.460 0.082 0.000 1.078 698 Y HN -0.028 nan 8.280 nan 0.000 0.523 699 Y N 0.474 120.838 120.300 0.107 0.000 2.391 699 Y HA 0.609 5.159 4.550 -0.000 0.000 0.341 699 Y C -0.762 175.160 175.900 0.037 0.000 0.965 699 Y CA -1.357 56.780 58.100 0.062 0.000 1.067 699 Y CB 1.713 40.202 38.460 0.048 0.000 1.199 699 Y HN -0.030 nan 8.280 nan 0.000 0.450 700 T N 3.884 117.904 114.554 -0.891 0.000 3.233 700 T HA 0.266 4.616 4.350 -0.000 0.000 0.324 700 T C -1.167 173.240 174.700 -0.488 0.000 0.992 700 T CA -0.369 61.274 62.100 -0.761 0.000 1.414 700 T CB -0.194 68.491 68.868 -0.306 0.000 0.935 700 T HN 0.735 nan 8.240 nan 0.000 0.544 701 Y N 2.027 121.842 120.300 -0.808 0.000 2.641 701 Y HA 0.735 5.285 4.550 -0.000 0.000 0.108 701 Y C 1.817 177.645 175.900 -0.120 0.000 0.887 701 Y CA -0.009 57.940 58.100 -0.251 0.000 1.812 701 Y CB 0.597 39.088 38.460 0.051 0.000 1.148 701 Y HN 0.604 nan 8.280 nan 0.000 0.271 702 S N -1.943 113.795 115.700 0.063 0.000 1.644 702 S HA -0.125 4.345 4.470 -0.000 0.000 0.248 702 S C 0.807 175.313 174.600 -0.156 0.000 1.055 702 S CA 0.716 58.908 58.200 -0.013 0.000 1.178 702 S CB -2.081 61.072 63.200 -0.078 0.000 1.422 702 S HN 1.060 nan 8.310 nan 0.000 0.544 703 G N 1.382 109.841 108.800 -0.568 0.000 2.326 703 G HA2 0.354 4.314 3.960 -0.000 0.000 0.232 703 G HA3 0.354 4.314 3.960 -0.000 0.000 0.232 703 G C 0.169 174.990 174.900 -0.131 0.000 1.559 703 G CA 0.740 45.525 45.100 -0.525 0.000 1.031 703 G HN 0.693 nan 8.290 nan 0.000 0.498 704 S N -1.198 114.500 115.700 -0.003 0.000 2.654 704 S HA 0.621 5.091 4.470 -0.000 0.000 0.283 704 S C -0.657 174.086 174.600 0.238 0.000 1.180 704 S CA -0.126 58.142 58.200 0.112 0.000 1.021 704 S CB 1.393 64.642 63.200 0.083 0.000 1.018 704 S HN 0.338 nan 8.310 nan 0.000 0.532 705 I N 2.787 123.461 120.570 0.172 0.000 2.563 705 I HA 0.299 4.469 4.170 -0.000 0.000 0.285 705 I C -1.898 174.277 176.117 0.096 0.000 1.123 705 I CA -1.721 59.690 61.300 0.184 0.000 1.059 705 I CB 2.355 40.471 38.000 0.193 0.000 1.229 705 I HN 0.371 nan 8.210 nan 0.000 0.442 706 P HA -0.268 nan 4.420 nan 0.000 0.219 706 P C 1.191 178.233 177.300 -0.431 0.000 1.145 706 P CA 1.581 64.559 63.100 -0.204 0.000 0.813 706 P CB 0.216 31.921 31.700 0.008 0.000 0.771 707 Y N 0.540 120.745 120.300 -0.157 0.000 2.117 707 Y HA -0.046 4.504 4.550 -0.000 0.000 0.277 707 Y C 2.211 178.068 175.900 -0.071 0.000 1.104 707 Y CA 1.593 59.665 58.100 -0.048 0.000 1.089 707 Y CB -0.891 37.620 38.460 0.085 0.000 0.999 707 Y HN -0.265 nan 8.280 nan 0.000 0.480 708 L N 0.743 122.014 121.223 0.080 0.000 2.653 708 L HA 0.054 4.394 4.340 -0.000 0.000 0.231 708 L C 1.050 177.923 176.870 0.006 0.000 1.153 708 L CA 0.194 55.050 54.840 0.027 0.000 0.933 708 L CB -0.084 42.081 42.059 0.178 0.000 1.175 708 L HN 0.331 nan 8.230 nan 0.000 0.473 709 D N -0.864 119.503 120.400 -0.055 0.000 2.277 709 D HA 0.107 4.747 4.640 -0.000 0.000 0.209 709 D C 1.703 177.940 176.300 -0.105 0.000 0.970 709 D CA 1.149 55.108 54.000 -0.069 0.000 0.874 709 D CB 0.693 41.442 40.800 -0.086 0.000 0.982 709 D HN 0.236 nan 8.370 nan 0.000 0.504 710 G N 0.740 109.449 108.800 -0.152 0.000 2.481 710 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.200 710 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.200 710 G C 0.780 175.609 174.900 -0.119 0.000 1.012 710 G CA 0.315 45.364 45.100 -0.085 0.000 0.676 710 G HN 0.559 nan 8.290 nan 0.000 0.488 711 T N -1.114 113.312 114.554 -0.214 0.000 2.793 711 T HA 0.811 5.161 4.350 -0.000 0.000 0.299 711 T C 0.516 175.026 174.700 -0.317 0.000 1.038 711 T CA 0.422 62.471 62.100 -0.084 0.000 0.948 711 T CB 1.600 70.360 68.868 -0.181 0.000 1.231 711 T HN 0.508 nan 8.240 nan 0.000 0.538 712 F N -1.946 118.158 119.950 0.255 0.000 4.325 712 F HA 0.455 4.982 4.527 -0.000 0.000 0.323 712 F C -0.053 176.025 175.800 0.463 0.000 1.230 712 F CA -0.372 57.783 58.000 0.259 0.000 0.897 712 F CB 0.553 39.603 39.000 0.083 0.000 1.899 712 F HN 0.846 nan 8.300 nan 0.000 0.484 713 Y N -1.792 118.691 120.300 0.305 0.000 3.315 713 Y HA 0.187 4.737 4.550 -0.000 0.000 0.366 713 Y C -1.145 174.722 175.900 -0.055 0.000 0.961 713 Y CA -0.617 57.557 58.100 0.124 0.000 0.930 713 Y CB -1.124 37.399 38.460 0.104 0.000 1.260 713 Y HN 0.169 nan 8.280 nan 0.000 0.459 714 L N 3.216 124.056 121.223 -0.637 0.000 2.999 714 L HA 0.443 4.783 4.340 -0.000 0.000 0.263 714 L C 0.173 176.670 176.870 -0.623 0.000 1.320 714 L CA 0.015 54.384 54.840 -0.785 0.000 0.913 714 L CB 0.368 41.956 42.059 -0.786 0.000 1.296 714 L HN 0.238 nan 8.230 nan 0.000 0.546 715 N N 1.219 119.529 118.700 -0.650 0.000 2.623 715 N HA 0.083 4.823 4.740 -0.000 0.000 0.263 715 N C 0.403 175.839 175.510 -0.124 0.000 1.218 715 N CA 0.138 53.072 53.050 -0.194 0.000 0.949 715 N CB 0.214 38.648 38.487 -0.089 0.000 1.270 715 N HN 0.630 nan 8.380 nan 0.000 0.507 716 H N -3.696 115.290 119.070 -0.140 0.000 2.054 716 H HA -0.088 4.468 4.556 -0.000 0.000 0.135 716 H C 0.649 175.763 175.328 -0.356 0.000 0.924 716 H CA -0.135 55.742 56.048 -0.284 0.000 0.563 716 H CB -0.558 28.651 29.762 -0.921 0.000 0.495 716 H HN 0.121 nan 8.280 nan 0.000 0.344 717 T N 0.948 115.064 114.554 -0.730 0.000 4.072 717 T HA 0.299 4.649 4.350 -0.000 0.000 0.205 717 T C -0.382 173.610 174.700 -1.180 0.000 0.825 717 T CA 0.328 61.992 62.100 -0.726 0.000 2.171 717 T CB -1.943 66.533 68.868 -0.654 0.000 1.222 717 T HN 0.215 nan 8.240 nan 0.000 0.692 718 F N -0.463 119.598 119.950 0.185 0.000 2.754 718 F HA 0.709 5.236 4.527 -0.000 0.000 0.320 718 F C 0.636 176.563 175.800 0.211 0.000 1.156 718 F CA -1.523 56.579 58.000 0.169 0.000 0.950 718 F CB 1.848 40.933 39.000 0.143 0.000 1.388 718 F HN 0.017 nan 8.300 nan 0.000 0.485 719 K N -0.299 120.343 120.400 0.404 0.000 2.769 719 K HA 0.338 4.658 4.320 -0.000 0.000 0.313 719 K C -0.767 175.998 176.600 0.275 0.000 0.981 719 K CA -0.940 55.523 56.287 0.293 0.000 1.048 719 K CB 0.269 32.895 32.500 0.210 0.000 3.495 719 K HN 0.260 nan 8.250 nan 0.000 1.181 720 K N 2.558 123.089 120.400 0.219 0.000 2.086 720 K HA 0.079 4.399 4.320 -0.000 0.000 0.215 720 K C -0.920 175.777 176.600 0.161 0.000 1.207 720 K CA -0.001 56.404 56.287 0.196 0.000 1.206 720 K CB -0.440 32.145 32.500 0.142 0.000 1.253 720 K HN 0.078 nan 8.250 nan 0.000 0.234 721 V N 2.799 122.793 119.914 0.134 0.000 2.322 721 V HA 0.151 4.271 4.120 -0.000 0.000 0.258 721 V C 0.487 176.468 176.094 -0.189 0.000 1.074 721 V CA -0.596 61.703 62.300 -0.001 0.000 0.909 721 V CB 0.392 32.205 31.823 -0.016 0.000 1.090 721 V HN 0.551 nan 8.190 nan 0.000 0.486 722 A N 4.658 127.400 122.820 -0.131 0.000 2.302 722 A HA 0.693 5.013 4.320 -0.000 0.000 0.285 722 A C 0.658 178.124 177.584 -0.197 0.000 1.105 722 A CA -0.264 51.726 52.037 -0.079 0.000 0.816 722 A CB 0.734 19.723 19.000 -0.019 0.000 1.067 722 A HN 0.569 nan 8.150 nan 0.000 0.489 723 I N 0.370 120.904 120.570 -0.059 0.000 3.445 723 I HA 0.031 4.201 4.170 -0.000 0.000 0.288 723 I C 1.335 177.460 176.117 0.014 0.000 1.198 723 I CA 1.506 62.767 61.300 -0.064 0.000 1.417 723 I CB -0.611 37.420 38.000 0.051 0.000 1.205 723 I HN 0.952 nan 8.210 nan 0.000 0.448 724 T N 0.296 114.912 114.554 0.102 0.000 0.872 724 T HA -0.332 4.018 4.350 -0.000 0.000 0.740 724 T C -0.175 174.642 174.700 0.195 0.000 0.992 724 T CA 0.294 62.475 62.100 0.135 0.000 3.865 724 T CB -1.168 67.731 68.868 0.051 0.000 2.191 724 T HN 0.195 nan 8.240 nan 0.000 0.395 725 F N 5.132 125.094 119.950 0.020 0.000 2.334 725 F HA 0.360 4.887 4.527 -0.000 0.000 0.365 725 F C 0.977 176.766 175.800 -0.018 0.000 1.124 725 F CA -0.409 57.578 58.000 -0.023 0.000 1.166 725 F CB 0.123 39.100 39.000 -0.038 0.000 1.355 725 F HN 0.979 nan 8.300 nan 0.000 0.532 726 D N 1.240 121.537 120.400 -0.171 0.000 2.504 726 D HA -0.235 4.405 4.640 -0.000 0.000 0.238 726 D C 0.754 177.001 176.300 -0.089 0.000 1.018 726 D CA 1.304 55.177 54.000 -0.212 0.000 1.756 726 D CB -0.910 39.730 40.800 -0.267 0.000 1.359 726 D HN 0.456 nan 8.370 nan 0.000 0.651 727 S N -2.131 113.541 115.700 -0.047 0.000 4.610 727 S HA 0.017 4.487 4.470 -0.000 0.000 0.048 727 S C 0.828 175.426 174.600 -0.004 0.000 0.857 727 S CA 0.837 59.022 58.200 -0.025 0.000 0.975 727 S CB -0.633 62.543 63.200 -0.040 0.000 0.441 727 S HN 0.239 nan 8.310 nan 0.000 0.797 728 S N 1.283 116.985 115.700 0.003 0.000 2.455 728 S HA 0.046 4.516 4.470 -0.000 0.000 0.199 728 S C 0.664 175.298 174.600 0.057 0.000 1.169 728 S CA 1.345 59.557 58.200 0.020 0.000 1.503 728 S CB -0.075 63.133 63.200 0.014 0.000 0.960 728 S HN 0.468 nan 8.310 nan 0.000 0.385 729 V N 1.993 121.974 119.914 0.112 0.000 2.408 729 V HA 0.280 4.400 4.120 -0.000 0.000 0.267 729 V C 0.210 176.399 176.094 0.158 0.000 1.047 729 V CA -0.426 61.950 62.300 0.125 0.000 0.937 729 V CB 1.047 32.973 31.823 0.171 0.000 0.999 729 V HN 0.368 nan 8.190 nan 0.000 0.472 730 S N 5.065 120.824 115.700 0.098 0.000 3.844 730 S HA 0.007 4.477 4.470 -0.000 0.000 0.193 730 S C 0.248 174.932 174.600 0.140 0.000 1.255 730 S CA -0.431 57.832 58.200 0.106 0.000 1.028 730 S CB -1.018 62.217 63.200 0.058 0.000 1.436 730 S HN 0.758 nan 8.310 nan 0.000 0.442 731 W N 3.110 124.430 121.300 0.033 0.000 2.852 731 W HA -0.126 4.534 4.660 -0.000 0.000 0.304 731 W C -2.460 174.084 176.519 0.042 0.000 0.925 731 W CA -0.155 57.205 57.345 0.026 0.000 1.187 731 W CB -0.065 29.393 29.460 -0.002 0.000 1.122 731 W HN 0.234 nan 8.180 nan 0.000 0.531 732 P HA 0.218 nan 4.420 nan 0.000 0.277 732 P C 0.538 177.316 177.300 -0.869 0.000 1.271 732 P CA 0.275 62.179 63.100 -1.993 0.000 0.795 732 P CB 0.502 31.062 31.700 -1.900 0.000 1.101 733 G N 1.072 109.494 108.800 -0.630 0.000 2.480 733 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.169 733 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.169 733 G C 0.012 174.806 174.900 -0.177 0.000 1.566 733 G CA 0.095 45.081 45.100 -0.190 0.000 0.887 733 G HN 0.710 nan 8.290 nan 0.000 0.423 734 N N 2.264 120.893 118.700 -0.119 0.000 2.483 734 N HA 0.083 4.823 4.740 -0.000 0.000 0.264 734 N C 0.144 175.578 175.510 -0.127 0.000 1.197 734 N CA 0.501 53.494 53.050 -0.095 0.000 0.927 734 N CB 0.571 39.025 38.487 -0.054 0.000 1.065 734 N HN 0.529 nan 8.380 nan 0.000 0.461 735 D N 1.213 121.548 120.400 -0.109 0.000 3.833 735 D HA -0.329 4.311 4.640 -0.000 0.000 0.197 735 D C 0.876 177.085 176.300 -0.151 0.000 0.793 735 D CA 1.622 55.554 54.000 -0.113 0.000 0.772 735 D CB -0.183 40.572 40.800 -0.076 0.000 0.375 735 D HN 0.811 nan 8.370 nan 0.000 0.299 736 R N -3.984 116.443 120.500 -0.122 0.000 4.066 736 R HA -0.040 4.300 4.340 -0.000 0.000 0.082 736 R C 0.036 176.267 176.300 -0.115 0.000 0.329 736 R CA 0.743 56.764 56.100 -0.131 0.000 0.611 736 R CB -1.657 28.520 30.300 -0.206 0.000 0.955 736 R HN 0.341 nan 8.270 nan 0.000 0.575 737 L N 2.233 123.360 121.223 -0.160 0.000 2.798 737 L HA 0.324 4.664 4.340 -0.000 0.000 0.254 737 L C 0.934 177.715 176.870 -0.148 0.000 1.176 737 L CA 1.011 55.761 54.840 -0.149 0.000 0.991 737 L CB -1.224 40.695 42.059 -0.233 0.000 1.225 737 L HN 0.589 nan 8.230 nan 0.000 0.420 738 L N -3.338 117.815 121.223 -0.117 0.000 3.370 738 L HA -0.291 4.049 4.340 -0.000 0.000 0.308 738 L C 0.792 177.592 176.870 -0.117 0.000 4.222 738 L CA 2.032 56.821 54.840 -0.085 0.000 1.163 738 L CB -2.267 39.771 42.059 -0.035 0.000 3.373 738 L HN 0.401 nan 8.230 nan 0.000 0.809 739 T N 1.098 115.553 114.554 -0.165 0.000 3.005 739 T HA 0.461 4.811 4.350 -0.000 0.000 0.323 739 T C -1.793 172.702 174.700 -0.341 0.000 1.131 739 T CA -0.532 61.451 62.100 -0.196 0.000 0.977 739 T CB 1.614 70.388 68.868 -0.156 0.000 1.055 739 T HN 0.331 nan 8.240 nan 0.000 0.562 740 P HA 0.018 nan 4.420 nan 0.000 0.212 740 P C 1.523 178.783 177.300 -0.067 0.000 1.131 740 P CA 0.467 63.432 63.100 -0.226 0.000 0.901 740 P CB 0.261 31.840 31.700 -0.202 0.000 0.788 741 N N 0.188 118.861 118.700 -0.045 0.000 2.011 741 N HA -0.181 4.559 4.740 -0.000 0.000 0.199 741 N C 1.266 176.803 175.510 0.045 0.000 1.047 741 N CA 1.331 54.384 53.050 0.004 0.000 0.863 741 N CB -0.942 37.540 38.487 -0.008 0.000 1.056 741 N HN 0.089 nan 8.380 nan 0.000 0.427 742 E N 0.117 120.337 120.200 0.035 0.000 4.337 742 E HA 0.261 4.611 4.350 -0.000 0.000 0.516 742 E C -0.481 176.227 176.600 0.179 0.000 0.822 742 E CA -0.381 56.068 56.400 0.083 0.000 3.237 742 E CB 0.193 29.925 29.700 0.053 0.000 2.124 742 E HN 0.383 nan 8.360 nan 0.000 0.580 743 F N 0.119 120.074 119.950 0.008 0.000 2.495 743 F HA 0.019 4.546 4.527 -0.000 0.000 0.355 743 F C -0.620 175.208 175.800 0.048 0.000 1.155 743 F CA -0.243 57.765 58.000 0.014 0.000 0.963 743 F CB 0.278 39.279 39.000 0.002 0.000 1.838 743 F HN 0.123 nan 8.300 nan 0.000 0.451 744 E N 2.674 122.987 120.200 0.188 0.000 2.966 744 E HA -0.084 4.266 4.350 -0.000 0.000 0.254 744 E C 1.177 177.928 176.600 0.252 0.000 0.923 744 E CA 0.712 57.218 56.400 0.177 0.000 0.960 744 E CB 0.759 30.509 29.700 0.084 0.000 0.901 744 E HN 0.517 nan 8.360 nan 0.000 0.525 745 I N 2.562 123.319 120.570 0.311 0.000 3.728 745 I HA -0.091 4.079 4.170 -0.000 0.000 0.307 745 I C 0.612 176.900 176.117 0.285 0.000 1.276 745 I CA 0.712 62.233 61.300 0.370 0.000 1.285 745 I CB -0.046 38.208 38.000 0.423 0.000 1.038 745 I HN 0.361 nan 8.210 nan 0.000 0.445 746 K N 1.012 121.529 120.400 0.195 0.000 3.302 746 K HA 0.227 4.547 4.320 -0.000 0.000 0.186 746 K C -0.269 176.377 176.600 0.076 0.000 1.232 746 K CA -0.561 55.801 56.287 0.125 0.000 0.756 746 K CB -0.023 32.527 32.500 0.084 0.000 1.076 746 K HN -0.122 nan 8.250 nan 0.000 0.544 747 R N 1.579 122.122 120.500 0.071 0.000 3.844 747 R HA -0.043 4.297 4.340 -0.000 0.000 0.267 747 R C -0.288 176.003 176.300 -0.015 0.000 0.940 747 R CA 0.405 56.509 56.100 0.006 0.000 0.946 747 R CB -0.361 29.913 30.300 -0.044 0.000 0.995 747 R HN 0.394 nan 8.270 nan 0.000 0.395 748 S N 1.952 117.648 115.700 -0.007 0.000 3.068 748 S HA -0.067 4.403 4.470 -0.000 0.000 0.358 748 S C 0.347 174.931 174.600 -0.028 0.000 1.007 748 S CA 0.260 58.453 58.200 -0.012 0.000 1.853 748 S CB -0.538 62.661 63.200 -0.003 0.000 1.250 748 S HN 0.437 nan 8.310 nan 0.000 0.639 749 V N 3.679 123.582 119.914 -0.017 0.000 5.574 749 V HA -0.167 3.953 4.120 -0.000 0.000 0.296 749 V C 0.609 176.677 176.094 -0.043 0.000 0.678 749 V CA 1.071 63.362 62.300 -0.016 0.000 1.093 749 V CB -1.037 30.776 31.823 -0.016 0.000 1.279 749 V HN 0.876 nan 8.190 nan 0.000 0.446 750 D N 1.779 122.146 120.400 -0.054 0.000 2.556 750 D HA 0.414 5.054 4.640 -0.000 0.000 0.237 750 D C 0.744 177.077 176.300 0.055 0.000 1.296 750 D CA 1.011 54.923 54.000 -0.146 0.000 0.807 750 D CB 1.349 41.847 40.800 -0.503 0.000 1.084 750 D HN 1.505 nan 8.370 nan 0.000 0.510 751 G N 1.858 110.749 108.800 0.151 0.000 3.438 751 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.684 751 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.684 751 G C 0.289 175.346 174.900 0.262 0.000 1.192 751 G CA -0.646 44.581 45.100 0.210 0.000 1.013 751 G HN 0.035 nan 8.290 nan 0.000 0.530 752 E N 0.714 120.990 120.200 0.126 0.000 2.517 752 E HA -0.091 4.259 4.350 -0.000 0.000 0.207 752 E C 2.182 178.815 176.600 0.055 0.000 1.144 752 E CA 0.931 57.389 56.400 0.097 0.000 0.920 752 E CB -0.149 29.578 29.700 0.044 0.000 0.867 752 E HN 0.782 nan 8.360 nan 0.000 0.580 753 G N -0.475 108.330 108.800 0.009 0.000 2.679 753 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.212 753 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.212 753 G C 0.764 175.462 174.900 -0.336 0.000 1.137 753 G CA 0.217 45.188 45.100 -0.215 0.000 0.787 753 G HN 0.279 nan 8.290 nan 0.000 0.534 754 Y N -0.427 119.878 120.300 0.007 0.000 2.531 754 Y HA 0.334 4.884 4.550 -0.000 0.000 0.249 754 Y C 0.676 176.588 175.900 0.021 0.000 1.168 754 Y CA -0.908 57.199 58.100 0.012 0.000 1.226 754 Y CB 0.226 38.691 38.460 0.008 0.000 1.177 754 Y HN 0.052 nan 8.280 nan 0.000 0.527 755 N N 0.723 119.501 118.700 0.131 0.000 2.504 755 N HA 0.253 4.993 4.740 -0.000 0.000 0.280 755 N C -0.673 174.869 175.510 0.054 0.000 1.052 755 N CA -0.336 52.770 53.050 0.094 0.000 0.887 755 N CB 2.809 41.343 38.487 0.079 0.000 1.323 755 N HN -0.028 nan 8.380 nan 0.000 0.509 756 V N 2.703 122.651 119.914 0.057 0.000 3.289 756 V HA -0.200 3.920 4.120 -0.000 0.000 0.267 756 V C 0.822 176.920 176.094 0.007 0.000 1.484 756 V CA 0.419 62.732 62.300 0.022 0.000 1.484 756 V CB 0.184 32.031 31.823 0.040 0.000 1.018 756 V HN 0.811 nan 8.190 nan 0.000 0.530 757 A N 5.026 127.831 122.820 -0.025 0.000 2.858 757 A HA 0.111 4.431 4.320 -0.000 0.000 0.290 757 A C 0.801 178.390 177.584 0.008 0.000 1.683 757 A CA 1.052 53.078 52.037 -0.018 0.000 1.180 757 A CB -1.508 17.463 19.000 -0.047 0.000 0.954 757 A HN 1.482 nan 8.150 nan 0.000 0.592 758 Q N -0.943 118.865 119.800 0.013 0.000 2.451 758 Q HA -0.222 4.118 4.340 -0.000 0.000 0.305 758 Q C 0.161 176.181 176.000 0.034 0.000 1.345 758 Q CA 0.976 56.791 55.803 0.020 0.000 0.854 758 Q CB -2.294 26.454 28.738 0.016 0.000 1.162 758 Q HN 1.655 nan 8.270 nan 0.000 0.440 759 C N -1.673 117.651 119.300 0.040 0.000 3.104 759 C HA 0.400 4.860 4.460 -0.000 0.000 0.206 759 C C 1.147 176.150 174.990 0.020 0.000 1.429 759 C CA -0.198 58.853 59.018 0.055 0.000 1.105 759 C CB -0.453 27.349 27.740 0.104 0.000 1.904 759 C HN 0.794 nan 8.230 nan 0.000 0.626 760 N N 1.850 120.534 118.700 -0.026 0.000 1.973 760 N HA -0.356 4.384 4.740 -0.000 0.000 0.147 760 N C 0.768 176.241 175.510 -0.062 0.000 0.310 760 N CA 2.654 55.648 53.050 -0.092 0.000 1.408 760 N CB -1.074 37.260 38.487 -0.256 0.000 1.306 760 N HN 0.958 nan 8.380 nan 0.000 0.413 761 M N 3.697 123.217 119.600 -0.134 0.000 2.882 761 M HA -0.078 4.402 4.480 -0.000 0.000 0.389 761 M C 0.709 177.100 176.300 0.151 0.000 1.812 761 M CA 1.221 56.538 55.300 0.029 0.000 1.236 761 M CB -1.064 31.639 32.600 0.172 0.000 2.103 761 M HN 0.612 nan 8.290 nan 0.000 0.475 762 T N 3.697 118.332 114.554 0.135 0.000 2.276 762 T HA -0.210 4.140 4.350 -0.000 0.000 0.424 762 T C 0.593 175.397 174.700 0.174 0.000 0.977 762 T CA 0.902 63.093 62.100 0.151 0.000 1.097 762 T CB -0.102 68.863 68.868 0.161 0.000 1.001 762 T HN 0.774 nan 8.240 nan 0.000 0.545 763 K N 0.898 121.387 120.400 0.148 0.000 2.911 763 K HA 0.133 4.453 4.320 -0.000 0.000 0.239 763 K C 0.314 177.024 176.600 0.183 0.000 1.090 763 K CA -0.023 56.351 56.287 0.144 0.000 1.225 763 K CB 0.079 32.635 32.500 0.093 0.000 1.087 763 K HN 0.526 nan 8.250 nan 0.000 0.464 764 D N -0.445 120.096 120.400 0.235 0.000 2.398 764 D HA 0.048 4.688 4.640 -0.000 0.000 0.210 764 D C -0.848 175.656 176.300 0.341 0.000 1.094 764 D CA 0.118 54.263 54.000 0.241 0.000 0.839 764 D CB 0.454 41.405 40.800 0.252 0.000 0.963 764 D HN 0.248 nan 8.370 nan 0.000 0.506 765 W N 0.645 122.111 121.300 0.277 0.000 3.036 765 W HA 0.237 4.897 4.660 -0.000 0.000 0.337 765 W C -0.731 176.005 176.519 0.362 0.000 1.055 765 W CA -0.732 56.788 57.345 0.291 0.000 1.248 765 W CB 1.210 30.845 29.460 0.291 0.000 1.335 765 W HN -0.247 nan 8.180 nan 0.000 0.446 766 F N 2.762 123.007 119.950 0.492 0.000 2.009 766 F HA 0.267 4.794 4.527 -0.000 0.000 0.224 766 F C -0.886 175.046 175.800 0.221 0.000 1.300 766 F CA -0.589 57.600 58.000 0.315 0.000 1.145 766 F CB -0.551 38.562 39.000 0.188 0.000 2.109 766 F HN -0.133 nan 8.300 nan 0.000 0.106 767 L N 2.187 123.037 121.223 -0.621 0.000 3.053 767 L HA 0.186 4.526 4.340 -0.000 0.000 0.244 767 L C 0.427 177.155 176.870 -0.237 0.000 1.430 767 L CA 0.572 55.057 54.840 -0.591 0.000 1.143 767 L CB -1.072 40.424 42.059 -0.938 0.000 1.539 767 L HN 0.358 nan 8.230 nan 0.000 0.442 768 V N -0.587 119.297 119.914 -0.051 0.000 2.490 768 V HA -0.081 4.039 4.120 -0.000 0.000 0.238 768 V C 1.966 178.089 176.094 0.049 0.000 1.056 768 V CA 0.952 63.235 62.300 -0.030 0.000 1.075 768 V CB -0.310 31.503 31.823 -0.015 0.000 0.746 768 V HN 0.601 nan 8.190 nan 0.000 0.479 769 Q N -0.416 119.430 119.800 0.077 0.000 1.615 769 Q HA -0.138 4.202 4.340 -0.000 0.000 0.457 769 Q C 1.961 177.870 176.000 -0.152 0.000 0.949 769 Q CA 1.275 57.040 55.803 -0.063 0.000 0.901 769 Q CB -0.619 27.959 28.738 -0.266 0.000 0.929 769 Q HN 0.296 nan 8.270 nan 0.000 0.395 770 M N 0.456 119.874 119.600 -0.303 0.000 3.258 770 M HA -0.314 4.166 4.480 -0.000 0.000 0.286 770 M C 2.036 178.322 176.300 -0.023 0.000 0.540 770 M CA 2.083 57.302 55.300 -0.136 0.000 0.826 770 M CB -1.820 30.740 32.600 -0.067 0.000 1.717 770 M HN 0.427 nan 8.290 nan 0.000 0.531 771 L N -2.394 118.815 121.223 -0.024 0.000 2.549 771 L HA 0.020 4.360 4.340 -0.000 0.000 0.229 771 L C 2.132 179.042 176.870 0.068 0.000 1.158 771 L CA 0.956 55.822 54.840 0.044 0.000 0.842 771 L CB -1.051 41.047 42.059 0.065 0.000 0.952 771 L HN 0.522 nan 8.230 nan 0.000 0.452 772 A N -0.240 122.603 122.820 0.038 0.000 1.999 772 A HA 0.059 4.379 4.320 -0.000 0.000 0.200 772 A C 2.009 179.577 177.584 -0.026 0.000 1.363 772 A CA 0.296 52.355 52.037 0.036 0.000 0.844 772 A CB -0.215 18.831 19.000 0.077 0.000 0.954 772 A HN 0.315 nan 8.150 nan 0.000 0.481 773 N N -1.509 117.134 118.700 -0.094 0.000 2.124 773 N HA -0.071 4.669 4.740 -0.000 0.000 0.188 773 N C 1.464 176.915 175.510 -0.098 0.000 1.045 773 N CA 1.593 54.525 53.050 -0.197 0.000 0.846 773 N CB -0.133 38.097 38.487 -0.427 0.000 1.020 773 N HN 0.440 nan 8.380 nan 0.000 0.432 774 Y N -0.254 120.007 120.300 -0.064 0.000 2.333 774 Y HA 0.228 4.778 4.550 -0.000 0.000 0.287 774 Y C 0.422 176.322 175.900 0.000 0.000 1.149 774 Y CA 0.148 58.224 58.100 -0.041 0.000 1.193 774 Y CB -0.028 38.390 38.460 -0.071 0.000 1.175 774 Y HN -0.024 nan 8.280 nan 0.000 0.518 775 N N -0.286 118.523 118.700 0.182 0.000 4.301 775 N HA -0.119 4.621 4.740 -0.000 0.000 0.277 775 N C -1.295 174.292 175.510 0.128 0.000 0.931 775 N CA 0.558 53.686 53.050 0.130 0.000 0.682 775 N CB -1.371 37.190 38.487 0.124 0.000 1.469 775 N HN 0.465 nan 8.380 nan 0.000 0.634 776 I N -0.740 119.860 120.570 0.050 0.000 2.661 776 I HA 0.563 4.733 4.170 -0.000 0.000 0.290 776 I C 0.291 176.273 176.117 -0.225 0.000 1.734 776 I CA 0.316 61.597 61.300 -0.031 0.000 1.018 776 I CB 0.998 39.054 38.000 0.094 0.000 1.532 776 I HN 0.264 nan 8.210 nan 0.000 0.488 777 G N 4.271 112.692 108.800 -0.631 0.000 4.476 777 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.169 777 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.169 777 G C 0.106 174.486 174.900 -0.866 0.000 0.802 777 G CA 0.667 45.305 45.100 -0.771 0.000 0.782 777 G HN 0.693 nan 8.290 nan 0.000 0.461 778 Y N 1.052 121.184 120.300 -0.280 0.000 2.522 778 Y HA 0.204 4.754 4.550 -0.000 0.000 0.277 778 Y C 2.703 178.476 175.900 -0.211 0.000 1.104 778 Y CA 0.783 58.768 58.100 -0.192 0.000 1.260 778 Y CB -0.191 38.208 38.460 -0.101 0.000 1.151 778 Y HN 0.228 nan 8.280 nan 0.000 0.539 779 Q N 1.144 120.995 119.800 0.085 0.000 2.378 779 Q HA 0.382 4.722 4.340 -0.000 0.000 0.205 779 Q C 0.995 176.916 176.000 -0.132 0.000 0.954 779 Q CA 0.793 56.592 55.803 -0.006 0.000 0.901 779 Q CB 0.387 29.151 28.738 0.043 0.000 0.981 779 Q HN 0.545 nan 8.270 nan 0.000 0.483 780 G N 0.368 108.975 108.800 -0.321 0.000 2.534 780 G HA2 0.268 4.228 3.960 -0.000 0.000 0.142 780 G HA3 0.268 4.228 3.960 -0.000 0.000 0.142 780 G C -1.834 172.746 174.900 -0.533 0.000 1.178 780 G CA -0.891 44.034 45.100 -0.291 0.000 1.037 780 G HN 0.076 nan 8.290 nan 0.000 0.474 781 F N 0.576 120.576 119.950 0.083 0.000 2.767 781 F HA 0.638 5.165 4.527 -0.000 0.000 0.341 781 F C -0.771 175.137 175.800 0.180 0.000 1.192 781 F CA -0.840 57.236 58.000 0.128 0.000 1.127 781 F CB 1.712 40.792 39.000 0.133 0.000 1.388 781 F HN 0.919 nan 8.300 nan 0.000 0.574 782 Y N 4.919 125.313 120.300 0.156 0.000 2.656 782 Y HA 0.825 5.375 4.550 -0.000 0.000 0.334 782 Y C -2.345 173.447 175.900 -0.180 0.000 1.179 782 Y CA -1.953 56.147 58.100 -0.001 0.000 1.050 782 Y CB 1.423 39.872 38.460 -0.017 0.000 1.308 782 Y HN 0.533 nan 8.280 nan 0.000 0.456 783 I N 4.206 124.378 120.570 -0.665 0.000 2.785 783 I HA 0.634 4.804 4.170 -0.000 0.000 0.302 783 I C -3.121 172.366 176.117 -1.051 0.000 1.069 783 I CA -2.611 58.047 61.300 -1.071 0.000 1.045 783 I CB 2.730 40.056 38.000 -1.123 0.000 1.236 783 I HN 0.668 nan 8.210 nan 0.000 0.429 784 P HA 0.207 nan 4.420 nan 0.000 0.284 784 P C 0.041 177.184 177.300 -0.262 0.000 1.343 784 P CA -0.007 62.751 63.100 -0.569 0.000 0.826 784 P CB 0.599 32.002 31.700 -0.496 0.000 0.956 785 E N 2.543 122.672 120.200 -0.117 0.000 2.814 785 E HA -0.120 4.230 4.350 -0.000 0.000 0.296 785 E C 0.578 177.226 176.600 0.080 0.000 1.460 785 E CA 0.152 56.568 56.400 0.027 0.000 1.433 785 E CB -0.496 29.251 29.700 0.078 0.000 0.925 785 E HN 0.262 nan 8.360 nan 0.000 0.552 786 S N -0.693 115.070 115.700 0.105 0.000 2.413 786 S HA -0.265 4.205 4.470 -0.000 0.000 0.237 786 S C 1.079 175.762 174.600 0.138 0.000 1.044 786 S CA 1.617 59.878 58.200 0.102 0.000 1.024 786 S CB -0.736 62.509 63.200 0.075 0.000 0.829 786 S HN 0.559 nan 8.310 nan 0.000 0.475 787 Y N 1.602 121.902 120.300 0.001 0.000 2.922 787 Y HA 0.186 4.736 4.550 -0.000 0.000 0.379 787 Y C 0.841 176.740 175.900 -0.001 0.000 1.057 787 Y CA 0.337 58.438 58.100 0.002 0.000 1.687 787 Y CB -0.522 37.938 38.460 -0.000 0.000 1.707 787 Y HN 0.067 nan 8.280 nan 0.000 0.462 788 K N -0.847 119.559 120.400 0.010 0.000 1.365 788 K HA -0.153 4.167 4.320 -0.000 0.000 0.110 788 K C 0.004 176.642 176.600 0.062 0.000 2.523 788 K CA 0.631 56.892 56.287 -0.043 0.000 1.081 788 K CB -0.977 31.400 32.500 -0.206 0.000 2.805 788 K HN 0.287 nan 8.250 nan 0.000 0.326 789 D N 3.124 123.557 120.400 0.055 0.000 2.941 789 D HA -0.015 4.625 4.640 -0.000 0.000 0.236 789 D C -0.363 176.048 176.300 0.184 0.000 1.147 789 D CA 0.128 54.242 54.000 0.190 0.000 0.975 789 D CB 0.118 41.019 40.800 0.167 0.000 1.162 789 D HN 0.014 nan 8.370 nan 0.000 0.444 790 R N 2.233 122.818 120.500 0.141 0.000 2.351 790 R HA 0.161 4.501 4.340 -0.000 0.000 0.318 790 R C 0.903 177.255 176.300 0.087 0.000 1.055 790 R CA -0.175 55.981 56.100 0.092 0.000 0.968 790 R CB 0.352 30.695 30.300 0.071 0.000 0.974 790 R HN 0.499 nan 8.270 nan 0.000 0.439 791 M N 1.416 121.031 119.600 0.026 0.000 7.319 791 M HA -0.451 4.029 4.480 -0.000 0.000 0.195 791 M C 0.667 177.009 176.300 0.070 0.000 0.480 791 M CA 1.222 56.478 55.300 -0.073 0.000 1.311 791 M CB -0.609 31.811 32.600 -0.300 0.000 0.421 791 M HN 0.669 nan 8.290 nan 0.000 0.195 792 Y N -0.330 120.035 120.300 0.108 0.000 1.651 792 Y HA -0.350 4.200 4.550 -0.000 0.000 0.152 792 Y C 1.729 177.742 175.900 0.187 0.000 0.953 792 Y CA 1.918 60.087 58.100 0.116 0.000 0.760 792 Y CB -1.841 36.673 38.460 0.091 0.000 0.664 792 Y HN 0.770 nan 8.280 nan 0.000 0.644 793 S N -0.093 115.872 115.700 0.442 0.000 3.486 793 S HA -0.317 4.153 4.470 -0.000 0.000 0.371 793 S C 0.462 175.235 174.600 0.289 0.000 1.001 793 S CA 0.841 59.237 58.200 0.327 0.000 1.164 793 S CB -1.672 61.782 63.200 0.423 0.000 0.911 793 S HN 0.782 nan 8.310 nan 0.000 0.472 794 F N -1.608 118.374 119.950 0.053 0.000 2.544 794 F HA -0.448 4.079 4.527 -0.000 0.000 0.723 794 F C 0.740 176.649 175.800 0.182 0.000 0.486 794 F CA 2.516 60.509 58.000 -0.012 0.000 0.738 794 F CB -1.674 37.166 39.000 -0.266 0.000 1.608 794 F HN 0.372 nan 8.300 nan 0.000 0.272 795 F N 1.661 121.665 119.950 0.091 0.000 2.280 795 F HA -0.338 4.189 4.527 -0.000 0.000 0.302 795 F C 2.643 178.429 175.800 -0.023 0.000 1.247 795 F CA 2.976 61.001 58.000 0.040 0.000 1.277 795 F CB -1.449 37.752 39.000 0.335 0.000 0.903 795 F HN 0.283 nan 8.300 nan 0.000 0.576 796 R N 0.912 121.492 120.500 0.134 0.000 2.429 796 R HA -0.197 4.143 4.340 -0.000 0.000 0.249 796 R C -0.208 176.088 176.300 -0.007 0.000 1.203 796 R CA 1.537 57.625 56.100 -0.020 0.000 1.062 796 R CB -0.884 29.459 30.300 0.072 0.000 0.849 796 R HN 0.529 nan 8.270 nan 0.000 0.494 797 N N -0.899 117.813 118.700 0.020 0.000 2.644 797 N HA 0.096 4.836 4.740 -0.000 0.000 0.313 797 N C -0.958 174.550 175.510 -0.004 0.000 1.863 797 N CA -0.115 52.969 53.050 0.056 0.000 0.918 797 N CB 0.473 39.067 38.487 0.179 0.000 1.320 797 N HN 0.014 nan 8.380 nan 0.000 0.490 798 F N 1.220 121.008 119.950 -0.269 0.000 3.479 798 F HA 0.436 4.963 4.527 -0.000 0.000 0.267 798 F C -0.887 174.773 175.800 -0.233 0.000 1.542 798 F CA 0.197 58.011 58.000 -0.311 0.000 0.975 798 F CB 0.480 39.204 39.000 -0.461 0.000 1.778 798 F HN 0.066 nan 8.300 nan 0.000 0.387 799 Q N 0.664 120.125 119.800 -0.565 0.000 3.227 799 Q HA 0.000 4.340 4.340 -0.000 0.000 0.031 799 Q C -2.738 172.924 176.000 -0.563 0.000 1.705 799 Q CA 0.152 55.729 55.803 -0.377 0.000 0.243 799 Q CB -0.971 27.637 28.738 -0.217 0.000 0.586 799 Q HN 0.308 nan 8.270 nan 0.000 0.322 800 P HA 0.642 nan 4.420 nan 0.000 0.307 800 P C -0.940 176.335 177.300 -0.040 0.000 1.307 800 P CA -0.514 62.504 63.100 -0.137 0.000 0.814 800 P CB 1.233 32.932 31.700 -0.003 0.000 1.311 801 M N -1.580 118.057 119.600 0.063 0.000 3.053 801 M HA 0.540 5.020 4.480 -0.000 0.000 0.281 801 M C -0.987 175.493 176.300 0.300 0.000 1.304 801 M CA -0.411 55.024 55.300 0.225 0.000 0.767 801 M CB 2.033 34.789 32.600 0.259 0.000 1.730 801 M HN 0.341 nan 8.290 nan 0.000 0.437 802 S N -0.682 115.297 115.700 0.465 0.000 2.686 802 S HA 0.622 5.092 4.470 -0.000 0.000 0.273 802 S C -1.809 172.476 174.600 -0.525 0.000 1.060 802 S CA -0.844 57.382 58.200 0.043 0.000 0.845 802 S CB 2.350 65.547 63.200 -0.006 0.000 1.086 802 S HN 0.767 nan 8.310 nan 0.000 0.461 803 R N 0.726 120.874 120.500 -0.587 0.000 2.855 803 R HA 0.515 4.855 4.340 -0.000 0.000 0.274 803 R C -2.144 173.915 176.300 -0.400 0.000 0.997 803 R CA -0.545 55.105 56.100 -0.751 0.000 0.856 803 R CB 0.713 30.133 30.300 -1.468 0.000 1.378 803 R HN 0.650 nan 8.270 nan 0.000 0.462 804 Q N 0.162 119.763 119.800 -0.333 0.000 2.472 804 Q HA 0.460 4.800 4.340 -0.000 0.000 0.281 804 Q C -1.004 174.912 176.000 -0.140 0.000 0.997 804 Q CA -0.506 55.183 55.803 -0.191 0.000 0.828 804 Q CB 2.895 31.545 28.738 -0.147 0.000 1.443 804 Q HN 0.582 nan 8.270 nan 0.000 0.390 805 V N -2.135 117.734 119.914 -0.075 0.000 6.955 805 V HA 0.760 4.880 4.120 -0.000 0.000 0.256 805 V C -0.849 175.273 176.094 0.048 0.000 1.615 805 V CA -0.350 61.945 62.300 -0.008 0.000 0.750 805 V CB 0.981 32.814 31.823 0.017 0.000 1.819 805 V HN 0.492 nan 8.190 nan 0.000 0.345 806 V N -0.346 119.624 119.914 0.093 0.000 3.159 806 V HA 0.603 4.723 4.120 -0.000 0.000 0.308 806 V C -1.595 174.455 176.094 -0.073 0.000 1.190 806 V CA -0.376 61.975 62.300 0.086 0.000 1.037 806 V CB 1.653 33.661 31.823 0.308 0.000 1.060 806 V HN 0.776 nan 8.190 nan 0.000 0.437 807 D N 1.004 121.249 120.400 -0.259 0.000 2.317 807 D HA 0.340 4.980 4.640 -0.000 0.000 0.252 807 D C 0.250 175.968 176.300 -0.970 0.000 1.174 807 D CA 0.014 53.752 54.000 -0.437 0.000 0.866 807 D CB 1.611 42.193 40.800 -0.364 0.000 1.127 807 D HN 0.694 nan 8.370 nan 0.000 0.467 808 D N -0.052 119.995 120.400 -0.588 0.000 2.271 808 D HA -0.012 4.628 4.640 -0.000 0.000 0.206 808 D C 0.361 176.560 176.300 -0.169 0.000 0.967 808 D CA 0.471 54.213 54.000 -0.429 0.000 0.867 808 D CB 0.281 41.060 40.800 -0.034 0.000 0.960 808 D HN 0.331 nan 8.370 nan 0.000 0.509 809 T N -1.219 113.248 114.554 -0.146 0.000 3.317 809 T HA 0.519 4.869 4.350 -0.000 0.000 0.361 809 T C -0.180 174.484 174.700 -0.060 0.000 1.499 809 T CA -0.848 61.221 62.100 -0.052 0.000 1.529 809 T CB 0.470 69.324 68.868 -0.024 0.000 0.997 809 T HN -0.216 nan 8.240 nan 0.000 0.624 810 K N 1.574 121.950 120.400 -0.039 0.000 1.992 810 K HA 0.002 4.322 4.320 -0.000 0.000 0.213 810 K C -1.892 174.704 176.600 -0.006 0.000 1.688 810 K CA -0.136 56.132 56.287 -0.030 0.000 0.508 810 K CB -0.800 31.654 32.500 -0.077 0.000 2.156 810 K HN 0.556 nan 8.250 nan 0.000 0.429 811 Y N 0.224 120.509 120.300 -0.024 0.000 2.627 811 Y HA 0.384 4.934 4.550 -0.000 0.000 0.103 811 Y C 1.179 177.100 175.900 0.035 0.000 0.930 811 Y CA 0.660 58.765 58.100 0.008 0.000 1.840 811 Y CB 0.284 38.776 38.460 0.054 0.000 1.162 811 Y HN 0.079 nan 8.280 nan 0.000 0.218 812 K N -0.762 119.792 120.400 0.257 0.000 1.733 812 K HA -0.066 4.254 4.320 -0.000 0.000 0.362 812 K C -0.021 176.553 176.600 -0.043 0.000 1.481 812 K CA 1.201 57.540 56.287 0.087 0.000 1.708 812 K CB -1.583 30.960 32.500 0.071 0.000 1.665 812 K HN 0.470 nan 8.250 nan 0.000 0.309 813 D N 0.448 120.701 120.400 -0.245 0.000 2.358 813 D HA 0.041 4.681 4.640 -0.000 0.000 0.224 813 D C 0.116 176.103 176.300 -0.522 0.000 1.123 813 D CA -0.355 53.438 54.000 -0.345 0.000 0.833 813 D CB -0.268 40.343 40.800 -0.315 0.000 0.946 813 D HN 0.320 nan 8.370 nan 0.000 0.505 814 Y N 2.492 122.432 120.300 -0.600 0.000 2.530 814 Y HA 0.163 4.713 4.550 -0.000 0.000 0.340 814 Y C -0.368 175.450 175.900 -0.137 0.000 1.247 814 Y CA -0.765 57.119 58.100 -0.361 0.000 1.727 814 Y CB -0.307 38.219 38.460 0.110 0.000 1.613 814 Y HN -0.026 nan 8.280 nan 0.000 0.464 815 Q N 5.991 125.541 119.800 -0.417 0.000 2.296 815 Q HA 0.095 4.435 4.340 -0.000 0.000 0.263 815 Q C -0.671 175.127 176.000 -0.337 0.000 1.026 815 Q CA -0.007 55.609 55.803 -0.312 0.000 0.912 815 Q CB 0.831 29.477 28.738 -0.154 0.000 1.198 815 Q HN 0.732 nan 8.270 nan 0.000 0.407 816 Q N 0.779 120.359 119.800 -0.365 0.000 2.271 816 Q HA 0.656 4.996 4.340 -0.000 0.000 0.258 816 Q C -0.487 175.516 176.000 0.005 0.000 0.936 816 Q CA -0.648 55.055 55.803 -0.166 0.000 0.909 816 Q CB 1.643 30.238 28.738 -0.239 0.000 1.253 816 Q HN 0.257 nan 8.270 nan 0.000 0.440 817 V N 1.315 121.249 119.914 0.034 0.000 2.994 817 V HA 0.718 4.838 4.120 -0.000 0.000 0.318 817 V C 0.466 176.322 176.094 -0.397 0.000 1.085 817 V CA -0.412 61.768 62.300 -0.199 0.000 0.998 817 V CB 1.981 33.599 31.823 -0.341 0.000 1.063 817 V HN 0.958 nan 8.190 nan 0.000 0.447 818 G N 0.397 109.071 108.800 -0.210 0.000 2.702 818 G HA2 0.451 4.411 3.960 -0.000 0.000 0.254 818 G HA3 0.451 4.411 3.960 -0.000 0.000 0.254 818 G C 0.635 175.244 174.900 -0.486 0.000 1.380 818 G CA -0.419 44.488 45.100 -0.322 0.000 1.042 818 G HN 0.455 nan 8.290 nan 0.000 0.557 819 I N -0.393 119.948 120.570 -0.382 0.000 2.270 819 I HA -0.001 4.169 4.170 -0.000 0.000 0.239 819 I C 2.806 178.754 176.117 -0.282 0.000 1.080 819 I CA 0.470 61.609 61.300 -0.268 0.000 1.383 819 I CB -0.671 37.246 38.000 -0.137 0.000 1.097 819 I HN 0.175 nan 8.210 nan 0.000 0.420 820 L N 1.111 122.127 121.223 -0.344 0.000 2.058 820 L HA -0.252 4.088 4.340 -0.000 0.000 0.226 820 L C 1.767 178.558 176.870 -0.132 0.000 1.089 820 L CA 1.978 56.701 54.840 -0.195 0.000 0.799 820 L CB -2.275 39.635 42.059 -0.248 0.000 0.900 820 L HN 0.503 nan 8.230 nan 0.000 0.442 821 H N -1.337 117.725 119.070 -0.012 0.000 2.820 821 H HA 0.349 4.905 4.556 -0.000 0.000 0.291 821 H C 0.217 175.612 175.328 0.112 0.000 1.412 821 H CA -0.127 55.948 56.048 0.045 0.000 1.176 821 H CB -0.876 28.892 29.762 0.009 0.000 1.467 821 H HN 0.377 nan 8.280 nan 0.000 0.517 822 Q N 2.328 122.204 119.800 0.126 0.000 2.815 822 Q HA 0.047 4.387 4.340 -0.000 0.000 0.329 822 Q C -0.371 175.695 176.000 0.110 0.000 1.037 822 Q CA -0.552 55.307 55.803 0.093 0.000 1.002 822 Q CB 0.314 29.082 28.738 0.050 0.000 1.274 822 Q HN 0.739 nan 8.270 nan 0.000 0.452 823 H N 0.436 119.511 119.070 0.008 0.000 3.045 823 H HA 0.232 4.788 4.556 -0.000 0.000 0.254 823 H C -0.704 174.654 175.328 0.049 0.000 1.747 823 H CA -0.115 55.904 56.048 -0.049 0.000 1.444 823 H CB -0.413 29.202 29.762 -0.245 0.000 1.778 823 H HN 0.350 nan 8.280 nan 0.000 0.544 824 N N 2.584 121.324 118.700 0.067 0.000 2.292 824 N HA 0.015 4.755 4.740 -0.000 0.000 0.303 824 N C -0.323 175.209 175.510 0.037 0.000 1.140 824 N CA -0.734 52.359 53.050 0.071 0.000 0.788 824 N CB 1.334 39.863 38.487 0.069 0.000 1.361 824 N HN 0.323 nan 8.380 nan 0.000 0.489 825 N N 0.745 119.493 118.700 0.080 0.000 2.693 825 N HA -0.241 4.499 4.740 -0.000 0.000 0.255 825 N C -0.289 175.057 175.510 -0.273 0.000 0.975 825 N CA 1.114 54.250 53.050 0.144 0.000 0.792 825 N CB -0.698 37.995 38.487 0.343 0.000 0.931 825 N HN 0.616 nan 8.380 nan 0.000 0.541 826 S N -1.772 113.691 115.700 -0.394 0.000 2.598 826 S HA 0.618 5.088 4.470 -0.000 0.000 0.267 826 S C 1.851 175.993 174.600 -0.763 0.000 1.189 826 S CA 0.420 58.397 58.200 -0.371 0.000 1.010 826 S CB 1.074 64.192 63.200 -0.136 0.000 1.084 826 S HN 1.068 nan 8.310 nan 0.000 0.541 827 G N 0.344 108.919 108.800 -0.374 0.000 2.934 827 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.231 827 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.231 827 G C 0.520 175.331 174.900 -0.150 0.000 1.235 827 G CA 0.881 45.812 45.100 -0.281 0.000 0.812 827 G HN 0.874 nan 8.290 nan 0.000 0.521 828 F N 1.071 121.040 119.950 0.031 0.000 2.795 828 F HA 0.618 5.145 4.527 -0.000 0.000 0.303 828 F C 0.931 176.726 175.800 -0.009 0.000 1.186 828 F CA -0.337 57.668 58.000 0.008 0.000 1.415 828 F CB -0.023 38.980 39.000 0.005 0.000 1.106 828 F HN 0.139 nan 8.300 nan 0.000 0.558 829 V N 0.031 119.961 119.914 0.026 0.000 2.614 829 V HA 0.538 4.658 4.120 -0.000 0.000 0.281 829 V C 0.588 176.661 176.094 -0.034 0.000 1.031 829 V CA -1.147 61.146 62.300 -0.012 0.000 0.899 829 V CB 1.079 32.880 31.823 -0.038 0.000 1.037 829 V HN 0.329 nan 8.190 nan 0.000 0.456 830 G N 3.224 112.011 108.800 -0.022 0.000 2.760 830 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.236 830 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.236 830 G C -0.280 174.604 174.900 -0.026 0.000 1.243 830 G CA 0.119 45.213 45.100 -0.010 0.000 0.850 830 G HN 0.831 nan 8.290 nan 0.000 0.595 831 Y N 1.732 121.995 120.300 -0.063 0.000 2.784 831 Y HA 0.110 4.660 4.550 -0.000 0.000 0.355 831 Y C 1.438 177.285 175.900 -0.087 0.000 1.198 831 Y CA -0.631 57.418 58.100 -0.085 0.000 1.588 831 Y CB -0.586 37.822 38.460 -0.087 0.000 1.220 831 Y HN 0.437 nan 8.280 nan 0.000 0.517 832 L N 4.587 125.322 121.223 -0.812 0.000 4.061 832 L HA -0.287 4.053 4.340 -0.000 0.000 0.466 832 L C 0.023 176.608 176.870 -0.475 0.000 1.140 832 L CA 0.987 55.398 54.840 -0.715 0.000 0.764 832 L CB -1.893 39.541 42.059 -1.043 0.000 1.688 832 L HN 0.770 nan 8.230 nan 0.000 0.855 833 A N -0.522 122.145 122.820 -0.256 0.000 2.547 833 A HA 0.645 4.965 4.320 -0.000 0.000 0.279 833 A C -1.994 175.558 177.584 -0.053 0.000 1.088 833 A CA -0.971 51.005 52.037 -0.101 0.000 0.796 833 A CB 1.059 20.039 19.000 -0.034 0.000 1.308 833 A HN 0.041 nan 8.150 nan 0.000 0.415 834 P HA -0.057 nan 4.420 nan 0.000 0.280 834 P C 0.957 178.245 177.300 -0.021 0.000 1.359 834 P CA 1.113 64.189 63.100 -0.040 0.000 0.744 834 P CB -0.453 31.218 31.700 -0.047 0.000 1.236 835 T N -0.429 114.126 114.554 0.002 0.000 5.037 835 T HA 0.037 4.387 4.350 -0.000 0.000 0.429 835 T C 1.189 175.884 174.700 -0.007 0.000 1.038 835 T CA 0.068 62.173 62.100 0.010 0.000 0.943 835 T CB -0.198 68.681 68.868 0.019 0.000 1.448 835 T HN 0.056 nan 8.240 nan 0.000 0.450 836 M N 1.117 120.714 119.600 -0.005 0.000 2.297 836 M HA 0.318 4.798 4.480 -0.000 0.000 0.211 836 M C 0.921 177.235 176.300 0.024 0.000 0.897 836 M CA -0.320 54.982 55.300 0.003 0.000 1.820 836 M CB -0.648 31.951 32.600 -0.002 0.000 1.104 836 M HN 0.502 nan 8.290 nan 0.000 0.886 837 R N 1.270 121.795 120.500 0.043 0.000 3.457 837 R HA 0.143 4.483 4.340 -0.000 0.000 0.218 837 R C -0.274 176.061 176.300 0.058 0.000 1.833 837 R CA -0.024 56.127 56.100 0.085 0.000 1.554 837 R CB -1.244 29.113 30.300 0.096 0.000 1.143 837 R HN 0.567 nan 8.270 nan 0.000 0.557 838 E N 1.184 121.400 120.200 0.028 0.000 2.435 838 E HA 0.256 4.606 4.350 -0.000 0.000 0.254 838 E C 0.502 177.105 176.600 0.006 0.000 1.289 838 E CA -0.143 56.265 56.400 0.013 0.000 0.983 838 E CB 0.173 29.877 29.700 0.006 0.000 1.010 838 E HN 0.355 nan 8.360 nan 0.000 0.509 839 G N 0.783 109.583 108.800 0.001 0.000 3.318 839 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.678 839 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.678 839 G C -0.528 174.370 174.900 -0.003 0.000 1.615 839 G CA -0.152 44.940 45.100 -0.013 0.000 1.235 839 G HN 0.515 nan 8.290 nan 0.000 0.601 840 Q N 0.384 120.204 119.800 0.033 0.000 2.395 840 Q HA 0.504 4.844 4.340 -0.000 0.000 0.271 840 Q C 0.731 176.810 176.000 0.131 0.000 1.026 840 Q CA 0.120 55.990 55.803 0.112 0.000 0.900 840 Q CB 0.530 29.401 28.738 0.223 0.000 1.266 840 Q HN 1.341 nan 8.270 nan 0.000 0.430 841 A N 2.597 125.452 122.820 0.059 0.000 2.388 841 A HA 0.437 4.757 4.320 -0.000 0.000 0.257 841 A C -1.152 176.525 177.584 0.154 0.000 1.095 841 A CA -0.092 51.873 52.037 -0.119 0.000 0.791 841 A CB 0.220 19.168 19.000 -0.086 0.000 1.029 841 A HN 0.681 nan 8.150 nan 0.000 0.489 842 Y N 1.569 121.775 120.300 -0.157 0.000 2.457 842 Y HA 0.413 4.963 4.550 -0.000 0.000 0.343 842 Y C -2.139 173.766 175.900 0.009 0.000 0.994 842 Y CA -1.989 56.106 58.100 -0.008 0.000 1.031 842 Y CB 3.181 41.698 38.460 0.095 0.000 1.246 842 Y HN 0.539 nan 8.280 nan 0.000 0.449 843 P HA 0.347 nan 4.420 nan 0.000 0.225 843 P C -0.761 176.584 177.300 0.074 0.000 1.830 843 P CA 0.397 63.548 63.100 0.085 0.000 1.051 843 P CB 0.089 31.813 31.700 0.040 0.000 1.929 844 A N 2.397 125.261 122.820 0.073 0.000 2.435 844 A HA -0.060 4.260 4.320 -0.000 0.000 0.686 844 A C 0.350 177.913 177.584 -0.035 0.000 0.138 844 A CA 0.162 52.219 52.037 0.033 0.000 0.024 844 A CB -1.691 17.330 19.000 0.035 0.000 3.974 844 A HN 0.527 nan 8.150 nan 0.000 0.548 845 N N -0.073 118.600 118.700 -0.044 0.000 2.035 845 N HA 0.160 4.900 4.740 -0.000 0.000 0.290 845 N C -0.269 175.349 175.510 0.180 0.000 1.221 845 N CA 1.235 54.233 53.050 -0.087 0.000 0.736 845 N CB 0.369 38.511 38.487 -0.575 0.000 1.648 845 N HN 1.320 nan 8.380 nan 0.000 0.648 846 F N 1.078 120.973 119.950 -0.091 0.000 2.686 846 F HA 0.447 4.974 4.527 -0.000 0.000 0.315 846 F C -2.445 173.338 175.800 -0.028 0.000 1.088 846 F CA -0.694 57.229 58.000 -0.127 0.000 1.034 846 F CB 1.418 40.353 39.000 -0.109 0.000 1.280 846 F HN -0.171 nan 8.300 nan 0.000 0.463 847 P HA 0.395 nan 4.420 nan 0.000 0.328 847 P C -1.517 175.308 177.300 -0.791 0.000 1.305 847 P CA -0.160 62.278 63.100 -1.104 0.000 0.745 847 P CB 0.867 32.085 31.700 -0.803 0.000 1.462 848 Y N -1.981 118.048 120.300 -0.452 0.000 2.534 848 Y HA 0.691 5.241 4.550 -0.000 0.000 0.329 848 Y C -1.860 173.951 175.900 -0.148 0.000 1.154 848 Y CA -2.444 55.509 58.100 -0.244 0.000 1.192 848 Y CB -1.116 37.217 38.460 -0.213 0.000 1.275 848 Y HN 0.174 nan 8.280 nan 0.000 0.491 849 P HA 0.388 nan 4.420 nan 0.000 0.293 849 P C -0.654 176.660 177.300 0.024 0.000 1.291 849 P CA -0.620 62.496 63.100 0.027 0.000 0.867 849 P CB 2.032 33.742 31.700 0.016 0.000 1.074 850 L N 1.286 122.509 121.223 -0.000 0.000 2.653 850 L HA 0.337 4.677 4.340 -0.000 0.000 0.231 850 L C 0.161 177.023 176.870 -0.014 0.000 1.153 850 L CA 0.404 55.238 54.840 -0.010 0.000 0.933 850 L CB -0.118 41.925 42.059 -0.028 0.000 1.175 850 L HN 0.350 nan 8.230 nan 0.000 0.473 851 I N -2.185 118.379 120.570 -0.009 0.000 2.769 851 I HA 0.591 4.761 4.170 -0.000 0.000 0.298 851 I C 0.538 176.652 176.117 -0.005 0.000 1.128 851 I CA -0.390 60.904 61.300 -0.010 0.000 1.031 851 I CB 2.109 40.101 38.000 -0.015 0.000 1.235 851 I HN -0.062 nan 8.210 nan 0.000 0.423 852 G N 3.074 111.871 108.800 -0.005 0.000 3.768 852 G HA2 0.167 4.127 3.960 -0.000 0.000 0.109 852 G HA3 0.167 4.127 3.960 -0.000 0.000 0.109 852 G C 0.125 175.023 174.900 -0.003 0.000 1.126 852 G CA -0.157 44.941 45.100 -0.002 0.000 1.143 852 G HN 0.427 nan 8.290 nan 0.000 0.407 853 K N -0.777 119.622 120.400 -0.002 0.000 2.564 853 K HA 0.263 4.583 4.320 -0.000 0.000 0.177 853 K C 0.152 176.750 176.600 -0.002 0.000 1.518 853 K CA 0.700 56.985 56.287 -0.003 0.000 1.076 853 K CB 1.325 33.824 32.500 -0.001 0.000 1.335 853 K HN 0.317 nan 8.250 nan 0.000 0.571 854 T N -0.567 113.986 114.554 -0.001 0.000 3.852 854 T HA 0.221 4.571 4.350 -0.000 0.000 0.302 854 T C 0.135 174.835 174.700 0.000 0.000 0.887 854 T CA 0.801 62.901 62.100 0.000 0.000 0.826 854 T CB 0.303 69.176 68.868 0.008 0.000 1.185 854 T HN 0.340 nan 8.240 nan 0.000 0.787 855 A N 0.947 123.766 122.820 -0.002 0.000 5.481 855 A HA -0.136 4.184 4.320 -0.000 0.000 0.318 855 A C 0.087 177.675 177.584 0.007 0.000 1.837 855 A CA 1.699 53.734 52.037 -0.003 0.000 0.717 855 A CB -1.641 17.350 19.000 -0.014 0.000 1.349 855 A HN 1.640 nan 8.150 nan 0.000 0.388 856 V N -3.875 116.040 119.914 0.001 0.000 2.852 856 V HA 0.615 4.735 4.120 -0.000 0.000 0.300 856 V C -0.650 175.425 176.094 -0.030 0.000 1.205 856 V CA -0.224 62.090 62.300 0.022 0.000 0.940 856 V CB 1.749 33.578 31.823 0.011 0.000 1.047 856 V HN 0.914 nan 8.190 nan 0.000 0.429 857 D N 3.586 123.921 120.400 -0.109 0.000 2.433 857 D HA 0.210 4.850 4.640 -0.000 0.000 0.274 857 D C 0.894 177.078 176.300 -0.193 0.000 1.344 857 D CA 0.900 54.733 54.000 -0.279 0.000 0.989 857 D CB 0.797 41.178 40.800 -0.699 0.000 1.116 857 D HN 0.899 nan 8.370 nan 0.000 0.533 858 S N 3.104 118.729 115.700 -0.125 0.000 2.626 858 S HA 0.756 5.226 4.470 -0.000 0.000 0.243 858 S C 0.479 175.018 174.600 -0.102 0.000 1.116 858 S CA -0.774 57.377 58.200 -0.083 0.000 1.089 858 S CB 1.226 64.395 63.200 -0.052 0.000 1.180 858 S HN 0.597 nan 8.310 nan 0.000 0.523 859 I N -0.987 119.536 120.570 -0.079 0.000 2.857 859 I HA 0.403 4.573 4.170 -0.000 0.000 0.304 859 I C -2.155 173.918 176.117 -0.074 0.000 1.643 859 I CA -0.569 60.684 61.300 -0.079 0.000 0.942 859 I CB 1.387 39.337 38.000 -0.082 0.000 1.368 859 I HN 0.694 nan 8.210 nan 0.000 0.583 860 T N 2.960 117.473 114.554 -0.069 0.000 2.855 860 T HA 0.620 4.970 4.350 -0.000 0.000 0.281 860 T C -0.969 173.690 174.700 -0.068 0.000 1.007 860 T CA -0.483 61.572 62.100 -0.075 0.000 1.009 860 T CB 1.548 70.379 68.868 -0.063 0.000 0.983 860 T HN 0.564 nan 8.240 nan 0.000 0.455 861 Q N 1.715 121.460 119.800 -0.092 0.000 3.412 861 Q HA 0.259 4.599 4.340 -0.000 0.000 0.219 861 Q C -0.253 175.713 176.000 -0.055 0.000 0.913 861 Q CA -0.457 55.309 55.803 -0.062 0.000 0.722 861 Q CB 1.315 30.025 28.738 -0.047 0.000 1.385 861 Q HN 0.539 nan 8.270 nan 0.000 0.461 862 K N 0.907 121.300 120.400 -0.012 0.000 2.916 862 K HA 0.419 4.739 4.320 -0.000 0.000 0.320 862 K C 0.159 176.859 176.600 0.166 0.000 1.032 862 K CA -0.272 56.048 56.287 0.055 0.000 1.074 862 K CB 0.390 32.903 32.500 0.020 0.000 1.192 862 K HN 0.232 nan 8.250 nan 0.000 0.468 863 K N -1.412 119.053 120.400 0.107 0.000 5.490 863 K HA 0.139 4.459 4.320 -0.000 0.000 0.750 863 K C -1.577 175.031 176.600 0.013 0.000 0.894 863 K CA -0.466 55.818 56.287 -0.005 0.000 1.049 863 K CB 0.136 32.732 32.500 0.160 0.000 2.035 863 K HN 0.588 nan 8.250 nan 0.000 1.012 864 F N -0.272 119.611 119.950 -0.111 0.000 3.129 864 F HA 0.888 5.415 4.527 -0.000 0.000 0.326 864 F C -1.505 174.021 175.800 -0.456 0.000 1.202 864 F CA -1.262 56.590 58.000 -0.246 0.000 0.929 864 F CB 1.480 40.353 39.000 -0.212 0.000 1.473 864 F HN 0.466 nan 8.300 nan 0.000 0.512 865 L N 0.125 121.001 121.223 -0.578 0.000 3.119 865 L HA 0.437 4.777 4.340 -0.000 0.000 0.242 865 L C -1.570 174.820 176.870 -0.799 0.000 0.978 865 L CA -0.283 54.043 54.840 -0.857 0.000 1.065 865 L CB 1.394 43.154 42.059 -0.499 0.000 1.502 865 L HN 1.209 nan 8.230 nan 0.000 0.405 866 C N 0.266 119.258 119.300 -0.515 0.000 3.086 866 C HA 0.783 5.243 4.460 -0.000 0.000 0.362 866 C C -2.017 172.911 174.990 -0.104 0.000 3.632 866 C CA 0.123 58.929 59.018 -0.353 0.000 1.245 866 C CB 1.563 29.160 27.740 -0.238 0.000 4.058 866 C HN 0.985 nan 8.230 nan 0.000 0.423 867 D N 0.385 120.780 120.400 -0.008 0.000 3.440 867 D HA 0.225 4.865 4.640 -0.000 0.000 0.120 867 D C -0.551 175.877 176.300 0.213 0.000 0.836 867 D CA 0.122 54.219 54.000 0.162 0.000 2.013 867 D CB -0.300 40.639 40.800 0.231 0.000 0.724 867 D HN 0.735 nan 8.370 nan 0.000 0.909 868 R N -0.765 119.776 120.500 0.069 0.000 3.573 868 R HA -0.081 4.259 4.340 -0.000 0.000 0.381 868 R C 0.330 176.541 176.300 -0.149 0.000 1.090 868 R CA 0.957 57.083 56.100 0.042 0.000 0.907 868 R CB -2.029 28.503 30.300 0.386 0.000 1.614 868 R HN 0.249 nan 8.270 nan 0.000 0.494 869 T N 0.326 114.723 114.554 -0.262 0.000 3.266 869 T HA 0.386 4.736 4.350 -0.000 0.000 0.278 869 T C 0.372 174.880 174.700 -0.320 0.000 1.010 869 T CA -0.332 61.651 62.100 -0.194 0.000 0.909 869 T CB 0.127 68.908 68.868 -0.144 0.000 1.122 869 T HN 0.128 nan 8.240 nan 0.000 0.536 870 L N 2.402 123.198 121.223 -0.711 0.000 2.581 870 L HA 0.017 4.357 4.340 -0.000 0.000 0.299 870 L C 0.213 176.693 176.870 -0.650 0.000 1.261 870 L CA -0.018 54.104 54.840 -1.198 0.000 0.866 870 L CB 0.363 41.713 42.059 -1.181 0.000 1.113 870 L HN 0.521 nan 8.230 nan 0.000 0.514 871 W N 3.165 124.557 121.300 0.153 0.000 2.419 871 W HA 0.435 5.095 4.660 -0.000 0.000 0.312 871 W C 0.009 176.649 176.519 0.201 0.000 1.323 871 W CA -0.945 56.590 57.345 0.317 0.000 1.293 871 W CB -0.143 29.753 29.460 0.727 0.000 1.324 871 W HN 0.294 nan 8.180 nan 0.000 0.512 872 R N 4.677 125.308 120.500 0.219 0.000 2.221 872 R HA 0.430 4.770 4.340 -0.000 0.000 0.327 872 R C -0.685 175.727 176.300 0.186 0.000 1.033 872 R CA -0.696 55.470 56.100 0.110 0.000 0.887 872 R CB 0.541 30.819 30.300 -0.037 0.000 1.057 872 R HN 0.727 nan 8.270 nan 0.000 0.455 873 I N 5.424 126.111 120.570 0.194 0.000 2.410 873 I HA 0.371 4.541 4.170 -0.000 0.000 0.286 873 I C -2.380 173.699 176.117 -0.064 0.000 1.009 873 I CA -2.613 58.847 61.300 0.267 0.000 1.111 873 I CB 1.829 40.249 38.000 0.700 0.000 1.262 873 I HN 0.289 nan 8.210 nan 0.000 0.443 874 P HA 0.208 nan 4.420 nan 0.000 0.297 874 P C 0.426 177.492 177.300 -0.390 0.000 1.303 874 P CA -0.335 62.642 63.100 -0.204 0.000 0.753 874 P CB 0.952 32.604 31.700 -0.081 0.000 1.281 875 F N 0.048 119.609 119.950 -0.648 0.000 2.094 875 F HA -0.039 4.488 4.527 -0.000 0.000 0.291 875 F C 0.885 176.247 175.800 -0.731 0.000 1.109 875 F CA 0.747 58.339 58.000 -0.681 0.000 1.221 875 F CB -1.292 37.316 39.000 -0.652 0.000 1.014 875 F HN 0.193 nan 8.300 nan 0.000 0.473 876 S N -0.142 115.248 115.700 -0.517 0.000 3.131 876 S HA -0.247 4.223 4.470 -0.000 0.000 0.297 876 S C 1.291 175.517 174.600 -0.622 0.000 1.484 876 S CA 0.748 58.606 58.200 -0.570 0.000 1.188 876 S CB -0.556 62.389 63.200 -0.425 0.000 0.628 876 S HN 0.502 nan 8.310 nan 0.000 0.385 877 S N 0.666 116.201 115.700 -0.274 0.000 2.539 877 S HA 0.028 4.498 4.470 -0.000 0.000 0.226 877 S C 1.214 175.891 174.600 0.130 0.000 1.054 877 S CA 0.467 58.654 58.200 -0.022 0.000 0.910 877 S CB -0.373 62.799 63.200 -0.048 0.000 0.818 877 S HN 0.787 nan 8.310 nan 0.000 0.490 878 N N 0.385 119.114 118.700 0.048 0.000 2.409 878 N HA 0.205 4.945 4.740 -0.000 0.000 0.174 878 N C -0.228 175.442 175.510 0.268 0.000 1.037 878 N CA 0.086 53.215 53.050 0.131 0.000 0.898 878 N CB -0.782 37.735 38.487 0.049 0.000 1.010 878 N HN 0.255 nan 8.380 nan 0.000 0.445 879 F N 0.657 120.652 119.950 0.076 0.000 2.563 879 F HA -0.197 4.330 4.527 -0.000 0.000 0.351 879 F C -0.844 174.998 175.800 0.069 0.000 1.086 879 F CA 0.622 58.675 58.000 0.089 0.000 1.174 879 F CB -1.187 37.886 39.000 0.122 0.000 1.590 879 F HN 0.172 nan 8.300 nan 0.000 0.808 880 M N 0.740 120.425 119.600 0.141 0.000 2.355 880 M HA 0.263 4.743 4.480 -0.000 0.000 0.232 880 M C 0.120 176.454 176.300 0.057 0.000 0.988 880 M CA -0.712 54.660 55.300 0.119 0.000 0.931 880 M CB 1.397 34.081 32.600 0.141 0.000 2.294 880 M HN -0.075 nan 8.290 nan 0.000 0.459 881 S N 2.659 118.386 115.700 0.044 0.000 3.722 881 S HA -0.032 4.438 4.470 -0.000 0.000 0.446 881 S C -0.290 174.317 174.600 0.011 0.000 1.120 881 S CA 0.920 59.132 58.200 0.020 0.000 0.854 881 S CB -0.075 63.139 63.200 0.023 0.000 0.669 881 S HN 0.760 nan 8.310 nan 0.000 0.454 882 M N 4.350 123.947 119.600 -0.005 0.000 3.303 882 M HA 0.376 4.856 4.480 -0.000 0.000 0.371 882 M C 0.050 176.335 176.300 -0.025 0.000 1.569 882 M CA 0.789 56.081 55.300 -0.014 0.000 0.694 882 M CB 0.525 33.110 32.600 -0.025 0.000 2.534 882 M HN 1.074 nan 8.290 nan 0.000 0.447 883 G N 0.957 109.739 108.800 -0.030 0.000 2.682 883 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.256 883 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.256 883 G C 0.605 175.457 174.900 -0.079 0.000 1.333 883 G CA 0.047 45.114 45.100 -0.055 0.000 0.904 883 G HN 1.140 nan 8.290 nan 0.000 0.569 884 A N -0.240 122.502 122.820 -0.130 0.000 2.481 884 A HA 0.189 4.509 4.320 -0.000 0.000 0.204 884 A C 1.775 179.323 177.584 -0.061 0.000 1.187 884 A CA 2.406 54.313 52.037 -0.217 0.000 0.928 884 A CB -0.854 18.022 19.000 -0.205 0.000 0.788 884 A HN 1.937 nan 8.150 nan 0.000 0.548 885 L N -1.316 119.919 121.223 0.020 0.000 2.454 885 L HA 0.503 4.843 4.340 -0.000 0.000 0.256 885 L C -0.684 176.224 176.870 0.062 0.000 1.136 885 L CA -0.280 54.635 54.840 0.126 0.000 0.804 885 L CB 1.560 43.724 42.059 0.174 0.000 1.181 885 L HN 0.555 nan 8.230 nan 0.000 0.469 886 T N 0.576 115.178 114.554 0.080 0.000 2.841 886 T HA 0.197 4.547 4.350 -0.000 0.000 0.285 886 T C 0.345 174.937 174.700 -0.180 0.000 0.991 886 T CA -0.021 62.048 62.100 -0.053 0.000 0.966 886 T CB 1.455 70.269 68.868 -0.090 0.000 0.962 886 T HN 0.902 nan 8.240 nan 0.000 0.438 887 D N 2.104 122.398 120.400 -0.177 0.000 4.253 887 D HA -0.305 4.335 4.640 -0.000 0.000 0.384 887 D C 0.141 176.194 176.300 -0.411 0.000 1.474 887 D CA 1.638 55.492 54.000 -0.242 0.000 1.346 887 D CB -0.342 40.328 40.800 -0.216 0.000 0.619 887 D HN 0.496 nan 8.370 nan 0.000 0.901 888 L N 1.018 121.872 121.223 -0.615 0.000 2.363 888 L HA 0.397 4.737 4.340 -0.000 0.000 0.286 888 L C 1.526 177.665 176.870 -1.220 0.000 1.106 888 L CA 1.053 55.328 54.840 -0.941 0.000 0.859 888 L CB 0.320 41.833 42.059 -0.911 0.000 1.223 888 L HN 0.684 nan 8.230 nan 0.000 0.446 889 G N 3.497 111.890 108.800 -0.678 0.000 3.288 889 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.219 889 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.219 889 G C -0.119 174.735 174.900 -0.077 0.000 0.944 889 G CA -0.572 44.375 45.100 -0.255 0.000 0.854 889 G HN 0.536 nan 8.290 nan 0.000 0.632 890 Q N 0.411 120.093 119.800 -0.196 0.000 2.374 890 Q HA 0.652 4.992 4.340 -0.000 0.000 0.250 890 Q C -1.234 174.707 176.000 -0.098 0.000 0.918 890 Q CA -0.777 54.973 55.803 -0.089 0.000 0.778 890 Q CB 2.190 30.877 28.738 -0.086 0.000 1.328 890 Q HN 0.119 nan 8.270 nan 0.000 0.445 891 N N 1.223 119.962 118.700 0.065 0.000 4.310 891 N HA 0.035 4.775 4.740 -0.000 0.000 0.212 891 N C -1.036 174.602 175.510 0.212 0.000 1.277 891 N CA -0.545 52.605 53.050 0.166 0.000 0.854 891 N CB 0.985 39.661 38.487 0.315 0.000 1.480 891 N HN 0.504 nan 8.380 nan 0.000 0.489 892 L N 1.489 122.800 121.223 0.147 0.000 2.784 892 L HA 0.137 4.477 4.340 -0.000 0.000 0.247 892 L C 0.215 177.121 176.870 0.059 0.000 1.162 892 L CA 1.187 56.080 54.840 0.088 0.000 0.881 892 L CB -1.165 40.927 42.059 0.054 0.000 1.032 892 L HN 0.475 nan 8.230 nan 0.000 0.446 893 L N -6.454 114.811 121.223 0.069 0.000 2.462 893 L HA 0.262 4.602 4.340 -0.000 0.000 0.289 893 L C -0.482 176.187 176.870 -0.335 0.000 1.351 893 L CA -0.180 54.597 54.840 -0.104 0.000 0.643 893 L CB -1.033 40.909 42.059 -0.194 0.000 0.950 893 L HN -0.129 nan 8.230 nan 0.000 0.516 894 Y N 0.324 120.669 120.300 0.074 0.000 3.266 894 Y HA 0.588 5.138 4.550 -0.000 0.000 0.189 894 Y C 2.168 178.209 175.900 0.234 0.000 0.895 894 Y CA 0.487 58.639 58.100 0.085 0.000 1.706 894 Y CB -0.163 38.307 38.460 0.017 0.000 1.449 894 Y HN 0.174 nan 8.280 nan 0.000 0.391 895 A N 1.014 124.154 122.820 0.534 0.000 2.276 895 A HA -0.114 4.206 4.320 -0.000 0.000 0.205 895 A C 1.177 179.133 177.584 0.621 0.000 1.234 895 A CA 1.173 53.669 52.037 0.764 0.000 0.797 895 A CB -1.437 17.808 19.000 0.409 0.000 0.769 895 A HN 0.671 nan 8.150 nan 0.000 0.491 896 N N 0.222 119.222 118.700 0.500 0.000 2.036 896 N HA -0.231 4.509 4.740 -0.000 0.000 0.199 896 N C 1.708 177.471 175.510 0.421 0.000 1.036 896 N CA 2.232 55.504 53.050 0.370 0.000 0.870 896 N CB -0.058 38.582 38.487 0.255 0.000 1.055 896 N HN 0.651 nan 8.380 nan 0.000 0.436 897 S N -0.950 115.187 115.700 0.729 0.000 3.541 897 S HA 0.725 5.195 4.470 -0.000 0.000 0.180 897 S C -0.380 174.488 174.600 0.447 0.000 0.887 897 S CA -0.241 58.324 58.200 0.608 0.000 1.264 897 S CB 0.881 64.447 63.200 0.611 0.000 0.873 897 S HN 0.305 nan 8.310 nan 0.000 0.809 898 A N 1.677 124.894 122.820 0.661 0.000 2.411 898 A HA 0.580 4.900 4.320 -0.000 0.000 0.303 898 A C -0.801 177.109 177.584 0.543 0.000 1.038 898 A CA -0.835 51.391 52.037 0.315 0.000 1.011 898 A CB -0.214 18.836 19.000 0.082 0.000 1.505 898 A HN 0.801 nan 8.150 nan 0.000 0.380 899 H N -0.055 119.510 119.070 0.825 0.000 3.038 899 H HA 0.926 5.482 4.556 -0.000 0.000 0.289 899 H C 0.201 175.662 175.328 0.221 0.000 1.510 899 H CA -0.395 55.814 56.048 0.268 0.000 1.227 899 H CB 1.316 31.045 29.762 -0.055 0.000 1.880 899 H HN 1.120 nan 8.280 nan 0.000 0.594 900 A N -0.225 122.615 122.820 0.033 0.000 4.069 900 A HA 0.851 5.171 4.320 -0.000 0.000 0.188 900 A C -0.606 176.820 177.584 -0.262 0.000 0.718 900 A CA 0.099 52.137 52.037 0.001 0.000 0.753 900 A CB 0.979 20.020 19.000 0.068 0.000 1.566 900 A HN 0.930 nan 8.150 nan 0.000 0.836 901 L N -3.827 117.351 121.223 -0.075 0.000 2.866 901 L HA 0.828 5.168 4.340 -0.000 0.000 0.298 901 L C -2.300 174.558 176.870 -0.022 0.000 0.848 901 L CA -0.808 53.990 54.840 -0.070 0.000 1.088 901 L CB 1.229 43.368 42.059 0.134 0.000 1.661 901 L HN 0.567 nan 8.230 nan 0.000 0.343 902 D N -0.295 120.089 120.400 -0.027 0.000 2.706 902 D HA 0.767 5.407 4.640 -0.000 0.000 0.227 902 D C -1.743 174.471 176.300 -0.144 0.000 1.233 902 D CA -0.098 53.850 54.000 -0.087 0.000 0.768 902 D CB 2.038 42.784 40.800 -0.089 0.000 1.490 902 D HN 0.747 nan 8.370 nan 0.000 0.458 903 M N 0.161 119.594 119.600 -0.278 0.000 2.325 903 M HA 0.418 4.898 4.480 -0.000 0.000 0.285 903 M C -0.525 175.315 176.300 -0.766 0.000 1.119 903 M CA -0.623 54.398 55.300 -0.464 0.000 0.959 903 M CB 1.547 33.827 32.600 -0.534 0.000 1.737 903 M HN 0.071 nan 8.290 nan 0.000 0.486 904 T N 1.210 115.424 114.554 -0.566 0.000 2.788 904 T HA 0.604 4.954 4.350 -0.000 0.000 0.287 904 T C -0.073 174.258 174.700 -0.616 0.000 1.007 904 T CA 0.277 62.109 62.100 -0.446 0.000 1.005 904 T CB 0.372 69.139 68.868 -0.167 0.000 1.012 904 T HN 0.653 nan 8.240 nan 0.000 0.530 905 F N -1.269 118.677 119.950 -0.007 0.000 3.087 905 F HA 0.219 4.746 4.527 -0.000 0.000 0.371 905 F C 0.841 176.702 175.800 0.102 0.000 1.144 905 F CA -0.596 57.410 58.000 0.010 0.000 1.030 905 F CB 0.385 39.384 39.000 -0.002 0.000 1.366 905 F HN 0.503 nan 8.300 nan 0.000 0.522 906 E N 2.836 123.186 120.200 0.250 0.000 0.993 906 E HA -0.188 4.162 4.350 -0.000 0.000 0.180 906 E C 1.143 177.913 176.600 0.283 0.000 0.713 906 E CA 0.279 56.810 56.400 0.218 0.000 0.414 906 E CB -0.446 29.352 29.700 0.164 0.000 1.047 906 E HN 0.482 nan 8.360 nan 0.000 0.238 907 V N -0.921 119.192 119.914 0.332 0.000 2.306 907 V HA -0.040 4.080 4.120 -0.000 0.000 0.123 907 V C 0.666 176.872 176.094 0.186 0.000 0.760 907 V CA 0.756 63.300 62.300 0.405 0.000 1.372 907 V CB 0.361 32.437 31.823 0.421 0.000 0.833 907 V HN 0.253 nan 8.190 nan 0.000 0.401 908 D N 0.036 120.490 120.400 0.090 0.000 2.351 908 D HA 0.400 5.040 4.640 -0.000 0.000 0.235 908 D C -2.961 173.355 176.300 0.025 0.000 1.331 908 D CA -0.933 53.087 54.000 0.035 0.000 0.959 908 D CB 1.098 41.880 40.800 -0.030 0.000 1.432 908 D HN 0.401 nan 8.370 nan 0.000 0.544 909 P HA -0.131 nan 4.420 nan 0.000 0.268 909 P C -0.360 176.953 177.300 0.021 0.000 1.140 909 P CA 0.755 63.879 63.100 0.039 0.000 0.751 909 P CB 0.441 32.168 31.700 0.046 0.000 0.740 910 M N 2.051 121.661 119.600 0.017 0.000 2.224 910 M HA 0.102 4.582 4.480 -0.000 0.000 0.281 910 M C -0.238 176.069 176.300 0.012 0.000 1.025 910 M CA -0.574 54.729 55.300 0.005 0.000 0.954 910 M CB 1.909 34.504 32.600 -0.010 0.000 1.639 910 M HN 0.182 nan 8.290 nan 0.000 0.461 911 D N 2.432 122.841 120.400 0.014 0.000 2.621 911 D HA -0.061 4.579 4.640 -0.000 0.000 0.261 911 D C -0.316 175.990 176.300 0.010 0.000 1.324 911 D CA 0.671 54.682 54.000 0.017 0.000 0.965 911 D CB -0.204 40.610 40.800 0.024 0.000 1.061 911 D HN 0.397 nan 8.370 nan 0.000 0.471 912 E N -0.978 119.226 120.200 0.006 0.000 2.347 912 E HA 0.198 4.548 4.350 -0.000 0.000 0.285 912 E C -3.033 173.567 176.600 0.001 0.000 0.925 912 E CA -2.388 54.011 56.400 -0.002 0.000 0.779 912 E CB 1.146 30.840 29.700 -0.011 0.000 1.233 912 E HN -0.186 nan 8.360 nan 0.000 0.414 913 P HA -0.053 nan 4.420 nan 0.000 0.229 913 P C 0.035 177.336 177.300 0.001 0.000 1.485 913 P CA 0.606 63.710 63.100 0.006 0.000 1.217 913 P CB -0.814 30.888 31.700 0.003 0.000 1.852 914 T N 0.685 115.241 114.554 0.004 0.000 2.538 914 T HA -0.069 4.281 4.350 -0.000 0.000 0.373 914 T C 0.674 175.368 174.700 -0.010 0.000 1.065 914 T CA -0.130 61.968 62.100 -0.004 0.000 1.068 914 T CB 0.390 69.263 68.868 0.009 0.000 0.998 914 T HN 0.103 nan 8.240 nan 0.000 0.549 915 L N -0.468 120.736 121.223 -0.031 0.000 2.211 915 L HA 0.834 5.174 4.340 -0.000 0.000 0.259 915 L C -0.204 176.635 176.870 -0.052 0.000 1.031 915 L CA -1.121 53.686 54.840 -0.055 0.000 0.877 915 L CB 1.853 43.844 42.059 -0.113 0.000 1.457 915 L HN 0.608 nan 8.230 nan 0.000 0.466 916 L N -1.380 119.794 121.223 -0.082 0.000 2.332 916 L HA 0.569 4.909 4.340 -0.000 0.000 0.242 916 L C -1.725 175.088 176.870 -0.096 0.000 1.127 916 L CA -0.378 54.430 54.840 -0.052 0.000 0.948 916 L CB 2.422 44.491 42.059 0.017 0.000 1.553 916 L HN 0.280 nan 8.230 nan 0.000 0.419 917 Y N -0.904 119.403 120.300 0.012 0.000 2.689 917 Y HA 0.750 5.300 4.550 -0.000 0.000 0.333 917 Y C -1.170 174.702 175.900 -0.046 0.000 1.190 917 Y CA -1.236 56.881 58.100 0.028 0.000 1.063 917 Y CB 2.299 40.845 38.460 0.143 0.000 1.294 917 Y HN 0.062 nan 8.280 nan 0.000 0.466 918 V N 3.232 123.230 119.914 0.140 0.000 3.063 918 V HA 0.268 4.388 4.120 -0.000 0.000 0.249 918 V C -1.579 174.295 176.094 -0.366 0.000 0.908 918 V CA -0.556 61.621 62.300 -0.205 0.000 0.966 918 V CB 0.808 32.504 31.823 -0.213 0.000 1.015 918 V HN 0.400 nan 8.190 nan 0.000 0.512 919 L N 4.609 125.604 121.223 -0.381 0.000 2.354 919 L HA 0.855 5.195 4.340 -0.000 0.000 0.269 919 L C -0.371 176.462 176.870 -0.062 0.000 1.005 919 L CA -0.296 54.465 54.840 -0.133 0.000 0.819 919 L CB 1.858 43.902 42.059 -0.026 0.000 1.311 919 L HN 0.534 nan 8.230 nan 0.000 0.423 920 F N -0.916 119.004 119.950 -0.050 0.000 2.453 920 F HA 0.268 4.795 4.527 -0.000 0.000 0.382 920 F C 0.579 176.148 175.800 -0.386 0.000 1.495 920 F CA -1.594 56.334 58.000 -0.121 0.000 1.071 920 F CB -1.392 37.523 39.000 -0.143 0.000 1.577 920 F HN 0.658 nan 8.300 nan 0.000 0.508 921 E N 1.810 121.943 120.200 -0.112 0.000 1.655 921 E HA -0.227 4.123 4.350 -0.000 0.000 0.169 921 E C 1.336 177.668 176.600 -0.448 0.000 1.169 921 E CA 0.660 56.902 56.400 -0.263 0.000 0.560 921 E CB -0.121 29.364 29.700 -0.359 0.000 1.032 921 E HN 0.552 nan 8.360 nan 0.000 0.273 922 V N -0.868 118.855 119.914 -0.319 0.000 2.546 922 V HA -0.199 3.921 4.120 -0.000 0.000 0.254 922 V C 1.113 177.148 176.094 -0.099 0.000 1.076 922 V CA 1.841 63.971 62.300 -0.283 0.000 1.087 922 V CB -0.992 30.683 31.823 -0.246 0.000 0.674 922 V HN 0.636 nan 8.190 nan 0.000 0.470 923 F N 0.040 119.947 119.950 -0.071 0.000 2.301 923 F HA -0.114 4.413 4.527 -0.000 0.000 0.500 923 F C -0.237 175.501 175.800 -0.104 0.000 1.246 923 F CA -0.158 57.784 58.000 -0.096 0.000 1.596 923 F CB -1.427 37.524 39.000 -0.082 0.000 2.486 923 F HN 0.277 nan 8.300 nan 0.000 0.732 924 D N 2.978 123.404 120.400 0.043 0.000 2.489 924 D HA 0.334 4.974 4.640 -0.000 0.000 0.237 924 D C 0.076 176.237 176.300 -0.232 0.000 1.212 924 D CA 0.637 54.623 54.000 -0.025 0.000 1.058 924 D CB 0.854 41.691 40.800 0.062 0.000 1.098 924 D HN 0.029 nan 8.370 nan 0.000 0.509 925 V N 1.225 121.106 119.914 -0.055 0.000 3.049 925 V HA 0.465 4.585 4.120 -0.000 0.000 0.309 925 V C 0.376 176.500 176.094 0.050 0.000 1.148 925 V CA -0.862 61.397 62.300 -0.068 0.000 0.990 925 V CB 2.545 34.279 31.823 -0.149 0.000 1.039 925 V HN 0.271 nan 8.190 nan 0.000 0.430 926 V N 1.859 121.814 119.914 0.068 0.000 3.204 926 V HA 0.881 5.001 4.120 -0.000 0.000 0.308 926 V C -0.566 175.531 176.094 0.005 0.000 1.324 926 V CA -0.745 61.585 62.300 0.049 0.000 1.042 926 V CB 2.041 33.915 31.823 0.084 0.000 1.167 926 V HN 0.970 nan 8.190 nan 0.000 0.478 927 R N -1.540 118.944 120.500 -0.027 0.000 2.929 927 R HA 0.904 5.244 4.340 -0.000 0.000 0.259 927 R C -1.595 174.683 176.300 -0.036 0.000 1.141 927 R CA 0.277 56.355 56.100 -0.036 0.000 0.991 927 R CB 1.824 32.086 30.300 -0.065 0.000 1.287 927 R HN 0.954 nan 8.270 nan 0.000 0.450 928 V N -1.315 118.584 119.914 -0.025 0.000 3.089 928 V HA 0.648 4.768 4.120 -0.000 0.000 0.312 928 V C -1.625 174.512 176.094 0.071 0.000 1.433 928 V CA -0.215 62.091 62.300 0.010 0.000 1.025 928 V CB 2.183 34.022 31.823 0.026 0.000 1.077 928 V HN 0.907 nan 8.190 nan 0.000 0.478 929 H N -0.142 118.910 119.070 -0.030 0.000 2.921 929 H HA 0.597 5.153 4.556 -0.000 0.000 0.287 929 H C -1.363 173.955 175.328 -0.018 0.000 1.434 929 H CA -0.744 55.286 56.048 -0.030 0.000 1.178 929 H CB 1.490 31.231 29.762 -0.036 0.000 1.836 929 H HN 0.553 nan 8.280 nan 0.000 0.495 930 R N 2.354 122.733 120.500 -0.201 0.000 2.884 930 R HA 0.084 4.424 4.340 -0.000 0.000 0.185 930 R C -2.615 173.460 176.300 -0.376 0.000 1.467 930 R CA -0.677 55.305 56.100 -0.197 0.000 0.984 930 R CB 0.549 30.833 30.300 -0.027 0.000 1.503 930 R HN 0.307 nan 8.270 nan 0.000 0.553 931 P HA -0.261 nan 4.420 nan 0.000 0.221 931 P C 0.009 176.921 177.300 -0.646 0.000 1.153 931 P CA 1.879 64.550 63.100 -0.715 0.000 0.858 931 P CB 0.072 31.265 31.700 -0.846 0.000 0.783 932 H N -5.765 113.253 119.070 -0.087 0.000 5.287 932 H HA 0.224 4.780 4.556 -0.000 0.000 0.146 932 H C -0.097 175.224 175.328 -0.013 0.000 1.313 932 H CA -0.799 55.223 56.048 -0.042 0.000 0.229 932 H CB 0.094 29.830 29.762 -0.042 0.000 1.669 932 H HN -0.291 nan 8.280 nan 0.000 0.235 933 R N 1.360 122.020 120.500 0.267 0.000 2.265 933 R HA 0.385 4.725 4.340 -0.000 0.000 0.319 933 R C 0.550 176.891 176.300 0.067 0.000 1.006 933 R CA 0.968 57.131 56.100 0.105 0.000 0.880 933 R CB 0.834 31.139 30.300 0.008 0.000 1.077 933 R HN 0.943 nan 8.270 nan 0.000 0.454 934 G N 2.375 111.149 108.800 -0.044 0.000 2.258 934 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.233 934 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.233 934 G C -0.075 174.762 174.900 -0.105 0.000 1.006 934 G CA 0.038 45.003 45.100 -0.225 0.000 0.620 934 G HN 0.547 nan 8.290 nan 0.000 0.511 935 V N 0.917 120.871 119.914 0.066 0.000 2.555 935 V HA 0.713 4.833 4.120 -0.000 0.000 0.286 935 V C 0.846 177.057 176.094 0.196 0.000 1.044 935 V CA -0.336 62.009 62.300 0.076 0.000 1.026 935 V CB 1.468 33.244 31.823 -0.079 0.000 0.981 935 V HN 0.372 nan 8.190 nan 0.000 0.480 936 I N 2.511 123.175 120.570 0.157 0.000 3.042 936 I HA 0.791 4.961 4.170 -0.000 0.000 0.310 936 I C -0.143 176.025 176.117 0.084 0.000 1.117 936 I CA -0.422 60.962 61.300 0.140 0.000 1.003 936 I CB 2.734 40.847 38.000 0.189 0.000 1.228 936 I HN 0.918 nan 8.210 nan 0.000 0.443 937 E N 0.514 120.750 120.200 0.060 0.000 1.975 937 E HA 0.490 4.840 4.350 -0.000 0.000 0.240 937 E C -1.778 174.800 176.600 -0.037 0.000 1.652 937 E CA -0.332 56.089 56.400 0.034 0.000 0.996 937 E CB 1.580 31.326 29.700 0.077 0.000 1.487 937 E HN 0.743 nan 8.360 nan 0.000 0.533 938 T N -1.826 112.663 114.554 -0.109 0.000 2.640 938 T HA 0.485 4.835 4.350 -0.000 0.000 0.279 938 T C -1.643 172.863 174.700 -0.323 0.000 1.995 938 T CA -0.609 61.342 62.100 -0.248 0.000 0.943 938 T CB 0.572 69.173 68.868 -0.445 0.000 2.141 938 T HN 0.516 nan 8.240 nan 0.000 0.444 939 V N 2.014 121.674 119.914 -0.424 0.000 2.719 939 V HA 0.526 4.646 4.120 -0.000 0.000 0.289 939 V C -2.052 173.945 176.094 -0.162 0.000 1.167 939 V CA -0.986 61.157 62.300 -0.262 0.000 0.929 939 V CB 1.267 33.030 31.823 -0.100 0.000 1.050 939 V HN 0.917 nan 8.190 nan 0.000 0.448 940 Y N 4.119 124.459 120.300 0.067 0.000 2.376 940 Y HA 0.928 5.478 4.550 -0.000 0.000 0.340 940 Y C -0.608 175.331 175.900 0.066 0.000 0.965 940 Y CA -2.671 55.481 58.100 0.087 0.000 1.078 940 Y CB 1.636 40.163 38.460 0.111 0.000 1.193 940 Y HN 0.520 nan 8.280 nan 0.000 0.452 941 L N 4.451 125.811 121.223 0.229 0.000 2.751 941 L HA 0.496 4.836 4.340 -0.000 0.000 0.261 941 L C -1.466 175.468 176.870 0.107 0.000 0.927 941 L CA -0.715 54.208 54.840 0.139 0.000 0.968 941 L CB 1.985 44.103 42.059 0.098 0.000 1.432 941 L HN 0.863 nan 8.230 nan 0.000 0.439 942 R N 2.500 123.053 120.500 0.088 0.000 2.445 942 R HA 0.892 5.232 4.340 -0.000 0.000 0.308 942 R C -1.177 175.142 176.300 0.032 0.000 0.961 942 R CA -0.761 55.373 56.100 0.057 0.000 0.862 942 R CB 2.106 32.432 30.300 0.044 0.000 1.144 942 R HN 0.367 nan 8.270 nan 0.000 0.447 943 T N 2.476 117.033 114.554 0.006 0.000 3.012 943 T HA 0.295 4.645 4.350 -0.000 0.000 0.330 943 T C -2.909 171.785 174.700 -0.009 0.000 1.321 943 T CA -1.408 60.683 62.100 -0.014 0.000 1.067 943 T CB 2.307 71.163 68.868 -0.020 0.000 1.235 943 T HN 0.369 nan 8.240 nan 0.000 0.479 944 P HA 0.436 nan 4.420 nan 0.000 0.271 944 P C -0.608 176.702 177.300 0.016 0.000 1.380 944 P CA 0.088 63.173 63.100 -0.025 0.000 0.992 944 P CB -0.164 31.594 31.700 0.096 0.000 1.230 945 F N 0.907 120.747 119.950 -0.183 0.000 3.064 945 F HA 0.127 4.654 4.527 -0.000 0.000 0.406 945 F C -0.162 175.568 175.800 -0.117 0.000 1.027 945 F CA 0.308 58.203 58.000 -0.175 0.000 0.960 945 F CB 0.121 38.949 39.000 -0.287 0.000 1.418 945 F HN 0.038 nan 8.300 nan 0.000 0.536 946 S N 1.346 116.979 115.700 -0.112 0.000 3.209 946 S HA 0.134 4.604 4.470 -0.000 0.000 0.787 946 S C 0.119 174.669 174.600 -0.085 0.000 0.904 946 S CA 0.220 58.344 58.200 -0.128 0.000 1.341 946 S CB -0.881 62.198 63.200 -0.201 0.000 1.100 946 S HN 0.879 nan 8.310 nan 0.000 0.534 947 A N 0.000 122.815 122.820 -0.009 0.000 2.254 947 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 947 A CA 0.000 52.049 52.037 0.020 0.000 0.836 947 A CB 0.000 19.025 19.000 0.041 0.000 0.831 947 A HN 0.000 nan 8.150 nan 0.000 0.486