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 3kso_1_A DATA FIRST_RESID 5 DATA SEQUENCE IIRRSVANRF LVLMGALFLS IWGTWTIINT PVDALPDLSD VQVIIKTSYP DATA SEQUENCE GQAPQIVENQ VTYPLTTTML SVPGAKTVRG FSQFGDSYVY VIFEDGTDPY DATA SEQUENCE WARSRVLEYL NQVQGKLPAG VSAELGPDAT GVGWIYEYAL VDRSGKHDLA DATA SEQUENCE DLRSLQDWFL KYELKTIPDV AEVASVGGVV KEYQVVIDPQ RLAQYGISLA DATA SEQUENCE EVKSALDASN QEAGGSSIEL AEAEYMVRAS GYLQTLDDFN HIVLKASENG DATA SEQUENCE VPVYLRDVAK VQIGPEMRRG IAELNGEGEV AGGVVILRSG KNAREVIAAV DATA SEQUENCE KDKLETLKSS LPEGVEIVTT YDRSQLIDRA IDNLSGKLLE EFIVVAVVCA DATA SEQUENCE LFLWHVRSAL VAIISLPLGL CIAFIVMHFQ GLNANIMSLG GIAIAVGAMV DATA SEQUENCE DAAIVMIENA HKRLEEWQHQ XXXXXXXXKT RWQVITDASV EVGPALFISL DATA SEQUENCE LIITLSFIPI FTLEGQEGRL FGPLAFTKTY AMAGAALLAI VVIPILMGXX DATA SEQUENCE XXXXXXXXXX NPLNRFLIRV YHPLLLKVLH WPKTTLLVAA LSVLTVLWPL DATA SEQUENCE NKVGGEFLPQ INEGDLLYMP STLPGISAAE AASMLQKTDK LIMSVPEVAR DATA SEQUENCE VFGKTGKAET ATDSAPLEMV ETTIQLKPQE QWRPGMTMDK IIEELDNTVR DATA SEQUENCE LPGLANLWVP PIRNRIDMLS TGIKSPIGIK VSGTVLADID AMAEQIEEVA DATA SEQUENCE RTVPGVASAL AERLEGGRYI NVEINREKAA RYGMTVADVQ LFVTSAVGGA DATA SEQUENCE MVGETVEGIA RYPINLRYPQ SWRDSPQALR QLPILTPMKQ QITLADVADI DATA SEQUENCE KVSTGPSMLK TENARPTSWI YIDARDRDMV SVVHDLQKAI AEKVQLKPGT DATA SEQUENCE SVAFSGQFEL LERANHKLKL MVPMTLMIIF VLLYLAFRRV GEALLIISSV DATA SEQUENCE PFALVGGIWL LWWMGFHLSV ATGTGFIALA GVAAEFGVVM LMYLRHAIEA DATA SEQUENCE VPSLNNPQTF SEQKLDEALY HGAVLRVRPK AMTVAVIIAG LLPILWGTGA DATA SEQUENCE GSEVMSRIAA PMIGGMITAP LLSLFIIPAA YKLM 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 5 I HA 0.000 nan 4.170 nan 0.000 0.288 5 I C 0.000 176.029 176.117 -0.146 0.000 1.063 5 I CA 0.000 61.230 61.300 -0.116 0.000 1.566 5 I CB 0.000 37.933 38.000 -0.112 0.000 1.214 6 I N 1.264 121.757 120.570 -0.128 0.000 3.956 6 I HA 0.205 4.377 4.170 0.004 0.000 0.333 6 I C 1.971 178.035 176.117 -0.088 0.000 1.302 6 I CA 0.611 61.831 61.300 -0.134 0.000 1.122 6 I CB -0.050 37.878 38.000 -0.120 0.000 1.013 6 I HN 0.129 nan 8.210 nan 0.000 0.405 7 R N -0.255 120.203 120.500 -0.069 0.000 2.087 7 R HA 0.143 4.486 4.340 0.004 0.000 0.216 7 R C 2.092 178.369 176.300 -0.038 0.000 1.114 7 R CA 0.214 56.288 56.100 -0.043 0.000 1.002 7 R CB -0.062 30.220 30.300 -0.030 0.000 0.903 7 R HN 0.018 nan 8.270 nan 0.000 0.445 8 R N 0.753 121.227 120.500 -0.045 0.000 2.189 8 R HA 0.059 4.401 4.340 0.004 0.000 0.223 8 R C 1.705 177.980 176.300 -0.041 0.000 1.092 8 R CA 1.126 57.205 56.100 -0.035 0.000 0.989 8 R CB -0.241 30.037 30.300 -0.036 0.000 0.876 8 R HN 0.090 nan 8.270 nan 0.000 0.457 9 S N -0.318 115.344 115.700 -0.064 0.000 2.453 9 S HA -0.020 4.452 4.470 0.004 0.000 0.231 9 S C 1.522 176.085 174.600 -0.061 0.000 1.005 9 S CA 0.785 58.942 58.200 -0.072 0.000 0.949 9 S CB 0.277 63.412 63.200 -0.108 0.000 0.774 9 S HN 0.089 nan 8.310 nan 0.000 0.510 10 V N 0.629 120.511 119.914 -0.052 0.000 3.621 10 V HA 0.321 4.443 4.120 0.004 0.000 0.285 10 V C 1.766 177.849 176.094 -0.018 0.000 1.346 10 V CA 0.716 62.987 62.300 -0.048 0.000 1.104 10 V CB -0.297 31.503 31.823 -0.040 0.000 0.913 10 V HN 0.452 nan 8.190 nan 0.000 0.432 11 A N 0.288 123.107 122.820 -0.000 0.000 1.973 11 A HA 0.051 4.373 4.320 0.004 0.000 0.210 11 A C 1.934 179.549 177.584 0.052 0.000 1.200 11 A CA 0.607 52.666 52.037 0.037 0.000 0.707 11 A CB -0.294 18.721 19.000 0.024 0.000 0.862 11 A HN 0.461 nan 8.150 nan 0.000 0.461 12 N N 0.356 119.068 118.700 0.020 0.000 2.364 12 N HA -0.168 4.575 4.740 0.004 0.000 0.183 12 N C 1.668 177.192 175.510 0.024 0.000 1.022 12 N CA 0.763 53.828 53.050 0.025 0.000 0.883 12 N CB -0.572 37.916 38.487 0.002 0.000 0.965 12 N HN 0.451 nan 8.380 nan 0.000 0.438 13 R N 0.938 121.427 120.500 -0.019 0.000 2.335 13 R HA -0.278 4.064 4.340 0.004 0.000 0.202 13 R C 1.629 177.843 176.300 -0.143 0.000 1.086 13 R CA 2.164 58.187 56.100 -0.128 0.000 0.622 13 R CB -1.383 28.798 30.300 -0.198 0.000 0.875 13 R HN 0.272 nan 8.270 nan 0.000 0.316 14 F N 1.605 121.529 119.950 -0.042 0.000 2.236 14 F HA -0.188 4.341 4.527 0.003 0.000 0.302 14 F C 2.500 178.268 175.800 -0.054 0.000 1.073 14 F CA 1.421 59.391 58.000 -0.051 0.000 1.336 14 F CB -0.497 38.473 39.000 -0.050 0.000 1.040 14 F HN 0.314 nan 8.300 nan 0.000 0.507 15 L N 0.537 121.817 121.223 0.096 0.000 2.083 15 L HA -0.141 4.201 4.340 0.004 0.000 0.209 15 L C 2.331 179.178 176.870 -0.038 0.000 1.083 15 L CA 1.687 56.552 54.840 0.042 0.000 0.752 15 L CB -0.734 41.359 42.059 0.057 0.000 0.899 15 L HN 0.122 nan 8.230 nan 0.000 0.433 16 V N -1.066 118.812 119.914 -0.060 0.000 2.407 16 V HA -0.243 3.879 4.120 0.004 0.000 0.248 16 V C 2.633 178.640 176.094 -0.144 0.000 1.055 16 V CA 1.625 63.871 62.300 -0.090 0.000 1.049 16 V CB -1.334 30.440 31.823 -0.082 0.000 0.662 16 V HN 0.599 nan 8.190 nan 0.000 0.455 17 L N 1.719 122.858 121.223 -0.140 0.000 2.042 17 L HA -0.154 4.188 4.340 0.004 0.000 0.210 17 L C 2.428 179.134 176.870 -0.273 0.000 1.076 17 L CA 3.028 57.776 54.840 -0.153 0.000 0.749 17 L CB -1.043 40.954 42.059 -0.103 0.000 0.893 17 L HN 0.640 nan 8.230 nan 0.000 0.432 18 M N -1.933 117.449 119.600 -0.364 0.000 2.156 18 M HA 0.159 4.641 4.480 0.004 0.000 0.264 18 M C 2.161 177.507 176.300 -1.590 0.000 1.067 18 M CA 1.673 56.499 55.300 -0.790 0.000 1.131 18 M CB -1.737 30.569 32.600 -0.490 0.000 1.368 18 M HN 0.156 nan 8.290 nan 0.000 0.416 19 G N 0.543 108.883 108.800 -0.767 0.000 2.469 19 G HA2 -0.133 3.829 3.960 0.004 0.000 0.220 19 G HA3 -0.133 3.829 3.960 0.004 0.000 0.220 19 G C 1.614 176.363 174.900 -0.250 0.000 1.136 19 G CA 1.340 46.248 45.100 -0.319 0.000 0.759 19 G HN 0.662 nan 8.290 nan 0.000 0.562 20 A N 0.163 122.831 122.820 -0.254 0.000 1.872 20 A HA 0.172 4.494 4.320 0.004 0.000 0.214 20 A C 2.323 179.853 177.584 -0.090 0.000 1.187 20 A CA 1.508 53.476 52.037 -0.114 0.000 0.614 20 A CB -0.465 18.482 19.000 -0.089 0.000 0.826 20 A HN 0.370 nan 8.150 nan 0.000 0.442 21 L N -0.918 120.185 121.223 -0.199 0.000 2.083 21 L HA -0.077 4.266 4.340 0.004 0.000 0.209 21 L C 2.035 178.944 176.870 0.065 0.000 1.083 21 L CA 1.671 56.462 54.840 -0.082 0.000 0.752 21 L CB -1.058 40.930 42.059 -0.119 0.000 0.899 21 L HN 0.369 nan 8.230 nan 0.000 0.433 22 F N -0.900 119.086 119.950 0.061 0.000 2.192 22 F HA -0.225 4.304 4.527 0.003 0.000 0.301 22 F C 2.321 178.201 175.800 0.133 0.000 1.079 22 F CA 0.759 58.798 58.000 0.064 0.000 1.303 22 F CB -1.002 37.998 39.000 0.001 0.000 1.024 22 F HN 0.054 nan 8.300 nan 0.000 0.494 23 L N -1.702 119.687 121.223 0.277 0.000 2.270 23 L HA -0.055 4.287 4.340 0.004 0.000 0.210 23 L C 2.477 179.515 176.870 0.280 0.000 1.104 23 L CA 0.976 55.986 54.840 0.282 0.000 0.804 23 L CB -1.124 41.043 42.059 0.181 0.000 0.937 23 L HN 0.186 nan 8.230 nan 0.000 0.450 24 S N 0.579 116.400 115.700 0.201 0.000 2.335 24 S HA -0.105 4.367 4.470 0.004 0.000 0.216 24 S C 2.039 176.759 174.600 0.199 0.000 1.032 24 S CA 0.958 59.258 58.200 0.166 0.000 1.000 24 S CB -0.045 63.220 63.200 0.109 0.000 0.928 24 S HN 0.229 nan 8.310 nan 0.000 0.434 25 I N 0.961 121.659 120.570 0.213 0.000 2.151 25 I HA -0.253 3.919 4.170 0.004 0.000 0.243 25 I C 2.374 178.670 176.117 0.300 0.000 1.080 25 I CA 1.778 63.211 61.300 0.221 0.000 1.339 25 I CB -0.455 37.674 38.000 0.216 0.000 1.039 25 I HN 0.598 nan 8.210 nan 0.000 0.409 26 W N 1.899 123.309 121.300 0.183 0.000 2.355 26 W HA -0.159 4.503 4.660 0.004 0.000 0.309 26 W C 2.236 178.937 176.519 0.303 0.000 1.206 26 W CA 1.708 59.203 57.345 0.250 0.000 1.284 26 W CB -0.458 29.126 29.460 0.206 0.000 1.145 26 W HN 0.173 nan 8.180 nan 0.000 0.502 27 G N -0.365 108.614 108.800 0.298 0.000 2.432 27 G HA2 -0.323 3.639 3.960 0.004 0.000 0.219 27 G HA3 -0.323 3.639 3.960 0.004 0.000 0.219 27 G C 1.424 176.356 174.900 0.053 0.000 1.135 27 G CA 1.534 46.737 45.100 0.172 0.000 0.767 27 G HN 0.331 nan 8.290 nan 0.000 0.550 28 T N -0.579 114.025 114.554 0.084 0.000 3.085 28 T HA -0.032 4.320 4.350 0.004 0.000 0.263 28 T C 1.709 176.410 174.700 0.002 0.000 1.127 28 T CA 1.237 63.361 62.100 0.040 0.000 1.103 28 T CB -0.268 68.644 68.868 0.073 0.000 0.921 28 T HN 0.608 nan 8.240 nan 0.000 0.510 29 W N 0.967 122.151 121.300 -0.193 0.000 2.560 29 W HA -0.008 4.654 4.660 0.003 0.000 0.303 29 W C 1.325 177.656 176.519 -0.313 0.000 1.151 29 W CA 1.248 58.445 57.345 -0.246 0.000 1.426 29 W CB -0.789 28.494 29.460 -0.294 0.000 1.135 29 W HN 0.185 nan 8.180 nan 0.000 0.522 30 T N 2.147 115.767 114.554 -1.557 0.000 2.951 30 T HA -0.139 4.214 4.350 0.004 0.000 0.268 30 T C 1.969 176.093 174.700 -0.961 0.000 1.073 30 T CA 1.398 62.536 62.100 -1.604 0.000 1.134 30 T CB -0.363 67.775 68.868 -1.217 0.000 0.884 30 T HN 0.268 nan 8.240 nan 0.000 0.479 31 I N 0.817 120.938 120.570 -0.747 0.000 2.099 31 I HA -0.115 4.057 4.170 0.004 0.000 0.239 31 I C 1.978 177.729 176.117 -0.611 0.000 1.066 31 I CA 1.456 62.252 61.300 -0.840 0.000 1.324 31 I CB -0.100 37.677 38.000 -0.371 0.000 1.037 31 I HN 0.119 nan 8.210 nan 0.000 0.401 32 I N 1.611 121.943 120.570 -0.397 0.000 3.334 32 I HA -0.164 4.008 4.170 0.004 0.000 0.282 32 I C 1.011 176.946 176.117 -0.303 0.000 1.313 32 I CA 1.211 62.349 61.300 -0.271 0.000 1.396 32 I CB -1.360 36.545 38.000 -0.159 0.000 1.054 32 I HN 0.380 nan 8.210 nan 0.000 0.495 33 N N -0.444 117.984 118.700 -0.453 0.000 2.348 33 N HA -0.015 4.727 4.740 0.004 0.000 0.183 33 N C 0.945 176.240 175.510 -0.359 0.000 1.094 33 N CA 0.118 52.907 53.050 -0.435 0.000 0.885 33 N CB 0.041 38.107 38.487 -0.701 0.000 1.065 33 N HN 0.147 nan 8.380 nan 0.000 0.472 34 T N 1.405 115.719 114.554 -0.400 0.000 2.709 34 T HA 0.050 4.402 4.350 0.004 0.000 0.345 34 T C -2.421 172.178 174.700 -0.169 0.000 1.086 34 T CA -0.804 61.125 62.100 -0.284 0.000 1.084 34 T CB 0.325 69.010 68.868 -0.305 0.000 1.000 34 T HN -0.096 nan 8.240 nan 0.000 0.549 35 P HA 0.409 nan 4.420 nan 0.000 0.276 35 P C -1.221 176.047 177.300 -0.054 0.000 1.244 35 P CA -0.310 62.752 63.100 -0.064 0.000 0.801 35 P CB 0.847 32.524 31.700 -0.038 0.000 1.006 36 V N -1.698 118.195 119.914 -0.035 0.000 3.063 36 V HA 0.343 4.465 4.120 0.004 0.000 0.249 36 V C -1.208 174.880 176.094 -0.010 0.000 0.908 36 V CA -0.542 61.742 62.300 -0.026 0.000 0.966 36 V CB 0.457 32.257 31.823 -0.039 0.000 1.015 36 V HN 0.303 nan 8.190 nan 0.000 0.512 37 D N 3.188 123.585 120.400 -0.004 0.000 2.482 37 D HA 1.011 5.653 4.640 0.004 0.000 0.223 37 D C 0.488 176.789 176.300 0.001 0.000 1.262 37 D CA 0.388 54.392 54.000 0.006 0.000 1.125 37 D CB 1.087 41.893 40.800 0.009 0.000 1.196 37 D HN 1.119 nan 8.370 nan 0.000 0.594 38 A N -1.008 121.813 122.820 0.002 0.000 2.564 38 A HA 0.568 4.890 4.320 0.004 0.000 0.291 38 A C -1.800 175.778 177.584 -0.009 0.000 1.102 38 A CA -0.681 51.349 52.037 -0.010 0.000 0.660 38 A CB 0.785 19.781 19.000 -0.006 0.000 1.283 38 A HN 0.524 nan 8.150 nan 0.000 0.430 39 L N -0.826 120.384 121.223 -0.022 0.000 2.895 39 L HA -0.076 4.266 4.340 0.004 0.000 0.661 39 L C -2.599 174.258 176.870 -0.020 0.000 1.020 39 L CA 0.167 54.996 54.840 -0.018 0.000 1.342 39 L CB -2.486 39.572 42.059 -0.000 0.000 1.851 39 L HN 0.651 nan 8.230 nan 0.000 0.881 40 P HA 0.132 nan 4.420 nan 0.000 0.271 40 P C 0.047 177.336 177.300 -0.019 0.000 1.216 40 P CA -0.146 62.932 63.100 -0.036 0.000 0.776 40 P CB 0.700 32.367 31.700 -0.056 0.000 0.881 41 D N 3.058 123.451 120.400 -0.012 0.000 2.417 41 D HA 0.089 4.731 4.640 0.004 0.000 0.250 41 D C 0.473 176.773 176.300 -0.001 0.000 1.166 41 D CA 0.351 54.352 54.000 0.002 0.000 0.881 41 D CB 0.414 41.221 40.800 0.012 0.000 1.164 41 D HN 0.201 nan 8.370 nan 0.000 0.467 42 L N 0.525 121.751 121.223 0.004 0.000 2.326 42 L HA 0.187 4.530 4.340 0.004 0.000 0.137 42 L C 0.949 177.823 176.870 0.006 0.000 1.567 42 L CA -0.294 54.550 54.840 0.005 0.000 0.994 42 L CB -1.421 40.637 42.059 -0.001 0.000 1.862 42 L HN 0.405 nan 8.230 nan 0.000 0.464 43 S N 2.850 118.549 115.700 -0.001 0.000 3.477 43 S HA -0.185 4.287 4.470 0.004 0.000 0.357 43 S C 0.539 175.132 174.600 -0.012 0.000 1.083 43 S CA 1.729 59.922 58.200 -0.011 0.000 1.042 43 S CB -1.699 61.494 63.200 -0.013 0.000 0.911 43 S HN 1.144 nan 8.310 nan 0.000 0.490 44 D N -2.503 117.897 120.400 -0.001 0.000 3.395 44 D HA -0.294 4.348 4.640 0.004 0.000 0.238 44 D C -0.159 176.157 176.300 0.027 0.000 1.741 44 D CA 0.641 54.646 54.000 0.008 0.000 1.135 44 D CB -1.071 39.729 40.800 -0.001 0.000 0.767 44 D HN 1.015 nan 8.370 nan 0.000 0.934 45 V N 1.961 121.905 119.914 0.049 0.000 2.370 45 V HA 0.535 4.657 4.120 0.004 0.000 0.283 45 V C -0.326 175.802 176.094 0.055 0.000 1.023 45 V CA 0.593 62.956 62.300 0.104 0.000 0.857 45 V CB 0.766 32.719 31.823 0.217 0.000 0.985 45 V HN 0.737 nan 8.190 nan 0.000 0.443 46 Q N 4.893 124.723 119.800 0.050 0.000 2.416 46 Q HA 0.805 5.147 4.340 0.004 0.000 0.281 46 Q C -2.133 173.884 176.000 0.029 0.000 1.067 46 Q CA -0.957 54.842 55.803 -0.007 0.000 0.809 46 Q CB 2.703 31.452 28.738 0.018 0.000 1.418 46 Q HN 0.400 nan 8.270 nan 0.000 0.411 47 V N 2.879 122.788 119.914 -0.008 0.000 2.447 47 V HA 0.364 4.486 4.120 0.004 0.000 0.292 47 V C -0.919 175.162 176.094 -0.021 0.000 1.021 47 V CA -0.608 61.697 62.300 0.009 0.000 0.850 47 V CB 1.413 33.259 31.823 0.038 0.000 1.005 47 V HN 0.700 nan 8.190 nan 0.000 0.426 48 I N 6.196 126.750 120.570 -0.026 0.000 2.575 48 I HA 0.343 4.515 4.170 0.004 0.000 0.285 48 I C 0.198 176.239 176.117 -0.127 0.000 1.085 48 I CA 0.364 61.575 61.300 -0.147 0.000 1.403 48 I CB 0.575 38.529 38.000 -0.077 0.000 1.409 48 I HN 0.363 nan 8.210 nan 0.000 0.557 49 I N 5.591 126.054 120.570 -0.178 0.000 2.641 49 I HA 0.221 4.393 4.170 0.004 0.000 0.275 49 I C -0.193 175.885 176.117 -0.066 0.000 1.129 49 I CA -0.689 60.557 61.300 -0.091 0.000 1.094 49 I CB 0.825 38.777 38.000 -0.080 0.000 1.232 49 I HN 0.617 nan 8.210 nan 0.000 0.503 50 K N 3.876 124.271 120.400 -0.007 0.000 2.154 50 K HA 0.506 4.828 4.320 0.004 0.000 0.264 50 K C -0.596 175.935 176.600 -0.116 0.000 1.008 50 K CA 0.063 56.326 56.287 -0.039 0.000 0.937 50 K CB 1.128 33.699 32.500 0.119 0.000 1.002 50 K HN 0.334 nan 8.250 nan 0.000 0.469 51 T N 1.985 116.413 114.554 -0.210 0.000 3.038 51 T HA 0.089 4.441 4.350 0.004 0.000 0.344 51 T C -0.856 173.766 174.700 -0.130 0.000 1.054 51 T CA -0.638 61.382 62.100 -0.133 0.000 1.092 51 T CB 1.071 69.887 68.868 -0.087 0.000 1.031 51 T HN 0.617 nan 8.240 nan 0.000 0.482 52 S N 2.918 118.564 115.700 -0.091 0.000 2.546 52 S HA 0.126 4.598 4.470 0.004 0.000 0.290 52 S C -0.602 173.993 174.600 -0.008 0.000 1.262 52 S CA -0.041 58.136 58.200 -0.040 0.000 1.083 52 S CB -0.056 63.132 63.200 -0.020 0.000 0.859 52 S HN 0.614 nan 8.310 nan 0.000 0.495 53 Y N 7.777 128.023 120.300 -0.091 0.000 2.584 53 Y HA 0.350 4.902 4.550 0.004 0.000 0.358 53 Y C -1.975 173.869 175.900 -0.094 0.000 1.028 53 Y CA -2.282 55.762 58.100 -0.094 0.000 1.148 53 Y CB 0.234 38.622 38.460 -0.120 0.000 1.126 53 Y HN 0.564 nan 8.280 nan 0.000 0.658 54 P HA -0.265 nan 4.420 nan 0.000 0.257 54 P C 0.231 177.569 177.300 0.064 0.000 0.790 54 P CA 2.357 65.531 63.100 0.122 0.000 1.099 54 P CB 0.027 31.794 31.700 0.111 0.000 0.810 55 G N -1.673 107.134 108.800 0.011 0.000 2.415 55 G HA2 0.555 4.517 3.960 0.004 0.000 0.327 55 G HA3 0.555 4.517 3.960 0.004 0.000 0.327 55 G C -0.532 174.136 174.900 -0.387 0.000 1.182 55 G CA -0.265 44.730 45.100 -0.176 0.000 0.924 55 G HN 0.173 nan 8.290 nan 0.000 0.470 56 Q N -0.439 118.901 119.800 -0.767 0.000 2.433 56 Q HA 0.704 5.047 4.340 0.004 0.000 0.428 56 Q C -0.947 174.578 176.000 -0.791 0.000 0.530 56 Q CA -0.307 55.056 55.803 -0.733 0.000 0.985 56 Q CB 1.329 29.535 28.738 -0.886 0.000 1.040 56 Q HN 1.291 nan 8.270 nan 0.000 0.346 57 A N 0.312 122.784 122.820 -0.581 0.000 2.547 57 A HA 0.526 4.848 4.320 0.004 0.000 0.298 57 A C -2.530 174.939 177.584 -0.192 0.000 1.062 57 A CA -0.776 51.065 52.037 -0.327 0.000 0.748 57 A CB 1.064 19.875 19.000 -0.315 0.000 1.288 57 A HN 0.240 nan 8.150 nan 0.000 0.396 58 P HA -0.198 nan 4.420 nan 0.000 0.218 58 P C 1.409 178.721 177.300 0.021 0.000 1.146 58 P CA 1.418 64.537 63.100 0.033 0.000 0.813 58 P CB 0.327 32.113 31.700 0.142 0.000 0.778 59 Q N -1.283 118.515 119.800 -0.004 0.000 2.046 59 Q HA -0.128 4.214 4.340 0.004 0.000 0.200 59 Q C 2.003 178.000 176.000 -0.005 0.000 0.975 59 Q CA 1.042 56.853 55.803 0.014 0.000 0.836 59 Q CB -0.491 28.242 28.738 -0.008 0.000 0.896 59 Q HN 0.259 nan 8.270 nan 0.000 0.428 60 I N 0.137 120.655 120.570 -0.086 0.000 2.703 60 I HA -0.111 4.061 4.170 0.004 0.000 0.259 60 I C 1.785 177.815 176.117 -0.145 0.000 1.151 60 I CA 0.621 61.858 61.300 -0.105 0.000 1.470 60 I CB 0.068 37.968 38.000 -0.166 0.000 1.112 60 I HN -0.009 nan 8.210 nan 0.000 0.437 61 V N 1.231 121.019 119.914 -0.210 0.000 2.867 61 V HA -0.184 3.938 4.120 0.004 0.000 0.260 61 V C 2.458 178.508 176.094 -0.073 0.000 1.099 61 V CA 1.369 63.534 62.300 -0.226 0.000 1.122 61 V CB -0.711 30.972 31.823 -0.234 0.000 0.708 61 V HN 0.403 nan 8.190 nan 0.000 0.490 62 E N 0.417 120.601 120.200 -0.028 0.000 2.060 62 E HA -0.098 4.254 4.350 0.004 0.000 0.189 62 E C 2.000 178.689 176.600 0.147 0.000 0.974 62 E CA 0.818 57.210 56.400 -0.013 0.000 0.808 62 E CB -0.011 29.684 29.700 -0.009 0.000 0.768 62 E HN 0.620 nan 8.360 nan 0.000 0.453 63 N N 1.126 119.980 118.700 0.256 0.000 2.080 63 N HA -0.176 4.566 4.740 0.004 0.000 0.189 63 N C 1.813 177.482 175.510 0.264 0.000 1.036 63 N CA 1.653 54.939 53.050 0.393 0.000 0.846 63 N CB -0.350 38.219 38.487 0.136 0.000 1.015 63 N HN 0.311 nan 8.380 nan 0.000 0.423 64 Q N -0.134 119.750 119.800 0.141 0.000 2.356 64 Q HA 0.190 4.532 4.340 0.004 0.000 0.205 64 Q C 1.108 177.208 176.000 0.166 0.000 0.901 64 Q CA 0.390 56.269 55.803 0.127 0.000 0.938 64 Q CB 0.488 29.284 28.738 0.097 0.000 1.081 64 Q HN 0.205 nan 8.270 nan 0.000 0.517 65 V N -0.338 119.681 119.914 0.174 0.000 3.102 65 V HA -0.036 4.086 4.120 0.004 0.000 0.225 65 V C 2.060 178.208 176.094 0.091 0.000 1.301 65 V CA 1.478 63.876 62.300 0.162 0.000 1.308 65 V CB 0.581 32.584 31.823 0.300 0.000 1.129 65 V HN 0.490 nan 8.190 nan 0.000 0.502 66 T N -1.391 113.191 114.554 0.046 0.000 2.951 66 T HA -0.176 4.176 4.350 0.004 0.000 0.268 66 T C 1.712 176.384 174.700 -0.047 0.000 1.073 66 T CA 1.924 64.004 62.100 -0.032 0.000 1.134 66 T CB -0.529 68.282 68.868 -0.095 0.000 0.884 66 T HN 0.564 nan 8.240 nan 0.000 0.479 67 Y N 2.269 122.588 120.300 0.031 0.000 2.256 67 Y HA 0.081 4.633 4.550 0.004 0.000 0.288 67 Y C -0.790 175.123 175.900 0.022 0.000 1.155 67 Y CA 0.932 59.048 58.100 0.027 0.000 1.203 67 Y CB -0.940 37.533 38.460 0.022 0.000 0.980 67 Y HN 0.421 nan 8.280 nan 0.000 0.530 68 P HA 0.018 nan 4.420 nan 0.000 0.257 68 P C 0.675 178.013 177.300 0.063 0.000 1.281 68 P CA 0.760 63.920 63.100 0.102 0.000 0.826 68 P CB 0.335 32.083 31.700 0.080 0.000 1.237 69 L N -1.197 120.052 121.223 0.042 0.000 2.445 69 L HA 0.085 4.427 4.340 0.004 0.000 0.207 69 L C 2.469 179.342 176.870 0.006 0.000 1.053 69 L CA 1.581 56.432 54.840 0.018 0.000 0.841 69 L CB -1.640 40.417 42.059 -0.003 0.000 1.074 69 L HN -0.026 nan 8.230 nan 0.000 0.479 70 T N -2.494 112.052 114.554 -0.013 0.000 2.684 70 T HA -0.197 4.156 4.350 0.004 0.000 0.267 70 T C 1.765 176.471 174.700 0.009 0.000 1.036 70 T CA 2.400 64.488 62.100 -0.021 0.000 1.148 70 T CB -0.414 68.411 68.868 -0.071 0.000 0.863 70 T HN 0.259 nan 8.240 nan 0.000 0.436 71 T N 1.298 115.879 114.554 0.046 0.000 2.809 71 T HA -0.013 4.339 4.350 0.004 0.000 0.260 71 T C 2.268 176.978 174.700 0.017 0.000 1.039 71 T CA 1.701 63.835 62.100 0.058 0.000 1.141 71 T CB -0.951 67.987 68.868 0.117 0.000 0.869 71 T HN 0.468 nan 8.240 nan 0.000 0.437 72 T N 2.680 117.249 114.554 0.024 0.000 2.720 72 T HA -0.023 4.329 4.350 0.004 0.000 0.268 72 T C 1.840 176.502 174.700 -0.064 0.000 1.037 72 T CA 0.967 63.069 62.100 0.003 0.000 1.144 72 T CB -0.270 68.638 68.868 0.066 0.000 0.864 72 T HN 0.231 nan 8.240 nan 0.000 0.444 73 M N 0.720 120.305 119.600 -0.026 0.000 2.686 73 M HA 0.134 4.616 4.480 0.004 0.000 0.246 73 M C 1.860 178.117 176.300 -0.070 0.000 1.096 73 M CA 0.623 55.903 55.300 -0.034 0.000 1.076 73 M CB -0.887 31.715 32.600 0.005 0.000 1.504 73 M HN 0.296 nan 8.290 nan 0.000 0.524 74 L N -0.975 120.201 121.223 -0.079 0.000 2.141 74 L HA -0.144 4.198 4.340 0.004 0.000 0.209 74 L C 2.224 179.016 176.870 -0.130 0.000 1.094 74 L CA 1.026 55.819 54.840 -0.078 0.000 0.763 74 L CB -0.544 41.481 42.059 -0.058 0.000 0.908 74 L HN 0.240 nan 8.230 nan 0.000 0.437 75 S N -0.718 114.835 115.700 -0.245 0.000 2.710 75 S HA 0.073 4.545 4.470 0.004 0.000 0.224 75 S C 0.094 174.311 174.600 -0.639 0.000 0.948 75 S CA -0.329 57.639 58.200 -0.387 0.000 0.949 75 S CB -0.215 62.732 63.200 -0.422 0.000 0.778 75 S HN 0.112 nan 8.310 nan 0.000 0.498 76 V N 2.104 121.788 119.914 -0.383 0.000 2.581 76 V HA 0.608 4.730 4.120 0.004 0.000 0.303 76 V C -2.515 173.640 176.094 0.100 0.000 1.041 76 V CA -2.381 59.864 62.300 -0.092 0.000 0.907 76 V CB 1.266 33.217 31.823 0.212 0.000 0.994 76 V HN 0.152 nan 8.190 nan 0.000 0.442 77 P HA 0.174 nan 4.420 nan 0.000 0.271 77 P C 0.623 178.105 177.300 0.302 0.000 1.212 77 P CA 1.682 64.911 63.100 0.216 0.000 0.788 77 P CB 0.248 32.087 31.700 0.231 0.000 0.865 78 G N 0.490 109.470 108.800 0.301 0.000 2.273 78 G HA2 -0.179 3.783 3.960 0.004 0.000 0.280 78 G HA3 -0.179 3.783 3.960 0.004 0.000 0.280 78 G C 0.671 175.798 174.900 0.378 0.000 1.047 78 G CA 0.096 45.446 45.100 0.417 0.000 0.869 78 G HN 0.782 nan 8.290 nan 0.000 0.502 79 A N -0.344 122.592 122.820 0.193 0.000 2.190 79 A HA 0.320 4.642 4.320 0.004 0.000 0.226 79 A C 1.976 179.591 177.584 0.052 0.000 1.402 79 A CA 1.602 53.696 52.037 0.095 0.000 1.288 79 A CB -0.185 18.844 19.000 0.047 0.000 0.833 79 A HN 0.510 nan 8.150 nan 0.000 0.564 80 K N 0.584 121.025 120.400 0.069 0.000 1.969 80 K HA -0.088 4.234 4.320 0.004 0.000 0.220 80 K C 0.813 177.379 176.600 -0.057 0.000 1.040 80 K CA 1.930 58.221 56.287 0.006 0.000 0.981 80 K CB -0.271 32.231 32.500 0.004 0.000 0.746 80 K HN 0.591 nan 8.250 nan 0.000 0.444 81 T N -2.427 112.066 114.554 -0.101 0.000 2.916 81 T HA 0.429 4.781 4.350 0.004 0.000 0.305 81 T C -0.656 173.981 174.700 -0.106 0.000 1.119 81 T CA -0.984 61.048 62.100 -0.113 0.000 1.008 81 T CB 2.064 70.845 68.868 -0.144 0.000 1.129 81 T HN -0.118 nan 8.240 nan 0.000 0.480 82 V N 3.174 123.040 119.914 -0.081 0.000 2.204 82 V HA 0.421 4.543 4.120 0.004 0.000 0.264 82 V C 0.462 176.538 176.094 -0.029 0.000 1.106 82 V CA -0.827 61.441 62.300 -0.053 0.000 0.947 82 V CB -0.512 31.289 31.823 -0.038 0.000 1.164 82 V HN 0.942 nan 8.190 nan 0.000 0.461 83 R N 1.867 122.356 120.500 -0.019 0.000 2.255 83 R HA 0.724 5.067 4.340 0.004 0.000 0.326 83 R C 0.041 176.421 176.300 0.134 0.000 0.986 83 R CA -0.186 55.935 56.100 0.035 0.000 0.847 83 R CB 1.497 31.771 30.300 -0.044 0.000 1.111 83 R HN 0.465 nan 8.270 nan 0.000 0.452 84 G N 4.208 113.147 108.800 0.230 0.000 2.487 84 G HA2 0.383 4.346 3.960 0.004 0.000 0.314 84 G HA3 0.383 4.346 3.960 0.004 0.000 0.314 84 G C -0.989 174.162 174.900 0.418 0.000 1.267 84 G CA -0.782 44.459 45.100 0.236 0.000 0.937 84 G HN 0.618 nan 8.290 nan 0.000 0.481 85 F N 3.235 123.360 119.950 0.291 0.000 2.405 85 F HA 0.244 4.773 4.527 0.004 0.000 0.358 85 F C 0.890 176.798 175.800 0.180 0.000 1.151 85 F CA -0.731 57.415 58.000 0.244 0.000 1.161 85 F CB 1.198 40.416 39.000 0.364 0.000 1.245 85 F HN 0.451 nan 8.300 nan 0.000 0.545 86 S N 4.004 119.865 115.700 0.268 0.000 2.577 86 S HA 0.364 4.836 4.470 0.004 0.000 0.294 86 S C -0.470 174.191 174.600 0.101 0.000 1.161 86 S CA -0.913 57.365 58.200 0.130 0.000 1.143 86 S CB 1.176 64.398 63.200 0.037 0.000 0.991 86 S HN 0.729 nan 8.310 nan 0.000 0.475 87 Q N 2.697 122.565 119.800 0.113 0.000 2.926 87 Q HA 0.566 4.908 4.340 0.004 0.000 0.186 87 Q C -0.797 175.283 176.000 0.134 0.000 1.066 87 Q CA -1.167 54.712 55.803 0.128 0.000 0.821 87 Q CB 0.369 29.202 28.738 0.159 0.000 2.959 87 Q HN 0.610 nan 8.270 nan 0.000 0.406 88 F N 0.181 120.137 119.950 0.010 0.000 2.411 88 F HA 0.445 4.975 4.527 0.004 0.000 0.355 88 F C 0.941 176.731 175.800 -0.016 0.000 1.117 88 F CA 0.766 58.758 58.000 -0.013 0.000 1.139 88 F CB 0.730 39.739 39.000 0.015 0.000 1.120 88 F HN 0.884 nan 8.300 nan 0.000 0.493 89 G N 3.632 112.230 108.800 -0.338 0.000 2.267 89 G HA2 -0.252 3.710 3.960 0.004 0.000 0.257 89 G HA3 -0.252 3.710 3.960 0.004 0.000 0.257 89 G C -0.522 174.367 174.900 -0.019 0.000 0.998 89 G CA 0.327 45.314 45.100 -0.188 0.000 0.620 89 G HN 0.655 nan 8.290 nan 0.000 0.529 90 D N -0.681 119.705 120.400 -0.023 0.000 2.581 90 D HA 0.645 5.287 4.640 0.004 0.000 0.232 90 D C -0.801 175.400 176.300 -0.166 0.000 1.143 90 D CA 0.137 54.049 54.000 -0.147 0.000 0.881 90 D CB 1.650 42.296 40.800 -0.256 0.000 1.500 90 D HN 0.180 nan 8.370 nan 0.000 0.458 91 S N 1.123 116.662 115.700 -0.269 0.000 2.664 91 S HA 0.377 4.849 4.470 0.004 0.000 0.262 91 S C -1.516 172.937 174.600 -0.246 0.000 1.229 91 S CA -0.593 57.506 58.200 -0.168 0.000 1.151 91 S CB -0.299 62.860 63.200 -0.068 0.000 1.054 91 S HN 0.271 nan 8.310 nan 0.000 0.483 92 Y N 2.751 123.079 120.300 0.047 0.000 2.313 92 Y HA 0.578 5.130 4.550 0.004 0.000 0.332 92 Y C 0.218 176.025 175.900 -0.155 0.000 1.071 92 Y CA -0.663 57.383 58.100 -0.090 0.000 1.169 92 Y CB 1.419 39.887 38.460 0.013 0.000 1.192 92 Y HN 0.310 nan 8.280 nan 0.000 0.487 93 V N 4.590 124.385 119.914 -0.199 0.000 2.524 93 V HA 0.279 4.401 4.120 0.004 0.000 0.297 93 V C -1.333 174.568 176.094 -0.321 0.000 1.035 93 V CA -1.241 60.962 62.300 -0.161 0.000 0.867 93 V CB 1.011 32.791 31.823 -0.072 0.000 1.004 93 V HN 0.506 nan 8.190 nan 0.000 0.426 94 Y N 3.565 123.807 120.300 -0.097 0.000 2.331 94 Y HA 0.678 5.231 4.550 0.004 0.000 0.338 94 Y C 0.103 175.907 175.900 -0.160 0.000 0.992 94 Y CA -1.103 56.918 58.100 -0.132 0.000 1.121 94 Y CB 1.734 40.080 38.460 -0.190 0.000 1.184 94 Y HN 0.370 nan 8.280 nan 0.000 0.469 95 V N 5.723 125.595 119.914 -0.070 0.000 2.435 95 V HA 0.526 4.648 4.120 0.004 0.000 0.290 95 V C -0.117 175.731 176.094 -0.409 0.000 1.030 95 V CA -0.770 61.398 62.300 -0.220 0.000 0.881 95 V CB 1.387 33.069 31.823 -0.235 0.000 0.983 95 V HN 0.630 nan 8.190 nan 0.000 0.445 96 I N 1.439 121.728 120.570 -0.469 0.000 2.647 96 I HA 0.643 4.815 4.170 0.004 0.000 0.295 96 I C -1.002 174.796 176.117 -0.530 0.000 1.078 96 I CA -0.538 60.462 61.300 -0.500 0.000 1.048 96 I CB 1.588 39.464 38.000 -0.207 0.000 1.239 96 I HN 0.477 nan 8.210 nan 0.000 0.421 97 F N 3.094 123.035 119.950 -0.015 0.000 2.678 97 F HA 0.490 5.020 4.527 0.004 0.000 0.166 97 F C 1.017 176.792 175.800 -0.042 0.000 1.247 97 F CA -0.174 57.809 58.000 -0.030 0.000 0.970 97 F CB -0.487 38.486 39.000 -0.045 0.000 1.771 97 F HN 0.626 nan 8.300 nan 0.000 0.596 98 E N 0.694 121.027 120.200 0.221 0.000 2.263 98 E HA 0.299 4.651 4.350 0.004 0.000 0.264 98 E C -1.643 174.994 176.600 0.061 0.000 0.923 98 E CA -0.793 55.656 56.400 0.080 0.000 0.802 98 E CB 1.669 31.386 29.700 0.027 0.000 1.228 98 E HN 0.266 nan 8.360 nan 0.000 0.417 99 D N 0.536 120.955 120.400 0.030 0.000 2.364 99 D HA 0.240 4.883 4.640 0.004 0.000 0.236 99 D C 0.315 176.616 176.300 0.001 0.000 1.221 99 D CA 1.906 55.919 54.000 0.020 0.000 0.891 99 D CB 0.282 41.089 40.800 0.012 0.000 1.190 99 D HN 0.745 nan 8.370 nan 0.000 0.449 100 G N 0.607 109.406 108.800 -0.003 0.000 2.334 100 G HA2 -0.188 3.774 3.960 0.004 0.000 0.279 100 G HA3 -0.188 3.774 3.960 0.004 0.000 0.279 100 G C -0.028 174.843 174.900 -0.048 0.000 0.918 100 G CA 0.749 45.838 45.100 -0.018 0.000 1.314 100 G HN 0.506 nan 8.290 nan 0.000 0.463 101 T N 0.464 114.981 114.554 -0.062 0.000 2.881 101 T HA 0.399 4.751 4.350 0.004 0.000 0.291 101 T C 0.083 174.714 174.700 -0.114 0.000 0.990 101 T CA -0.129 61.874 62.100 -0.161 0.000 0.976 101 T CB 1.057 69.729 68.868 -0.327 0.000 0.970 101 T HN 0.479 nan 8.240 nan 0.000 0.438 102 D N 6.643 126.991 120.400 -0.086 0.000 2.999 102 D HA -0.003 4.639 4.640 0.004 0.000 0.276 102 D C -1.367 175.000 176.300 0.112 0.000 1.481 102 D CA -1.249 52.773 54.000 0.036 0.000 1.095 102 D CB 0.906 41.741 40.800 0.059 0.000 1.165 102 D HN 0.284 nan 8.370 nan 0.000 0.599 103 P HA -0.169 nan 4.420 nan 0.000 0.216 103 P C 0.763 178.176 177.300 0.188 0.000 1.150 103 P CA 1.062 64.254 63.100 0.155 0.000 0.837 103 P CB -0.106 31.665 31.700 0.119 0.000 0.786 104 Y N -2.016 118.353 120.300 0.116 0.000 2.680 104 Y HA -0.114 4.438 4.550 0.004 0.000 0.303 104 Y C 2.234 178.222 175.900 0.147 0.000 1.166 104 Y CA -0.113 58.051 58.100 0.106 0.000 1.344 104 Y CB -1.049 37.448 38.460 0.062 0.000 1.002 104 Y HN 0.173 nan 8.280 nan 0.000 0.537 105 W N 1.092 122.443 121.300 0.085 0.000 2.484 105 W HA -0.076 4.586 4.660 0.004 0.000 0.320 105 W C 2.237 178.726 176.519 -0.050 0.000 1.159 105 W CA 1.599 58.941 57.345 -0.005 0.000 1.352 105 W CB -1.070 28.356 29.460 -0.056 0.000 1.185 105 W HN -0.025 nan 8.180 nan 0.000 0.470 106 A N 1.639 124.874 122.820 0.692 0.000 1.971 106 A HA -0.301 4.022 4.320 0.004 0.000 0.222 106 A C 2.167 179.972 177.584 0.368 0.000 1.182 106 A CA 2.675 54.962 52.037 0.417 0.000 0.649 106 A CB -1.067 17.947 19.000 0.023 0.000 0.818 106 A HN 0.506 nan 8.150 nan 0.000 0.458 107 R N -0.558 120.058 120.500 0.194 0.000 2.187 107 R HA -0.129 4.213 4.340 0.004 0.000 0.215 107 R C 2.480 178.823 176.300 0.071 0.000 1.106 107 R CA 1.957 58.102 56.100 0.075 0.000 0.869 107 R CB -0.926 29.323 30.300 -0.085 0.000 0.789 107 R HN 0.366 nan 8.270 nan 0.000 0.447 108 S N -0.196 115.509 115.700 0.008 0.000 2.393 108 S HA -0.235 4.237 4.470 0.004 0.000 0.234 108 S C 2.031 176.585 174.600 -0.077 0.000 1.064 108 S CA 1.622 59.791 58.200 -0.052 0.000 1.088 108 S CB -0.319 62.825 63.200 -0.092 0.000 0.939 108 S HN 0.288 nan 8.310 nan 0.000 0.448 109 R N 0.555 120.980 120.500 -0.124 0.000 2.097 109 R HA -0.084 4.258 4.340 0.004 0.000 0.236 109 R C 2.321 178.675 176.300 0.090 0.000 1.135 109 R CA 1.541 57.583 56.100 -0.097 0.000 0.934 109 R CB -1.648 28.598 30.300 -0.089 0.000 0.846 109 R HN 0.425 nan 8.270 nan 0.000 0.431 110 V N 2.087 122.121 119.914 0.201 0.000 2.233 110 V HA -0.312 3.810 4.120 0.004 0.000 0.252 110 V C 2.595 178.764 176.094 0.125 0.000 1.063 110 V CA 2.199 64.623 62.300 0.208 0.000 1.032 110 V CB -0.741 31.198 31.823 0.193 0.000 0.645 110 V HN 0.326 nan 8.190 nan 0.000 0.446 111 L N -0.203 121.051 121.223 0.052 0.000 2.103 111 L HA -0.323 4.019 4.340 0.004 0.000 0.215 111 L C 2.584 179.423 176.870 -0.051 0.000 1.080 111 L CA 2.172 57.011 54.840 -0.002 0.000 0.764 111 L CB -0.466 41.575 42.059 -0.031 0.000 0.890 111 L HN 0.449 nan 8.230 nan 0.000 0.435 112 E N -1.056 119.074 120.200 -0.116 0.000 2.136 112 E HA -0.297 4.055 4.350 0.004 0.000 0.202 112 E C 1.581 177.898 176.600 -0.472 0.000 1.019 112 E CA 2.264 58.457 56.400 -0.344 0.000 0.819 112 E CB -0.239 29.158 29.700 -0.505 0.000 0.739 112 E HN 0.676 nan 8.360 nan 0.000 0.458 113 Y N -0.794 119.506 120.300 -0.000 0.000 2.449 113 Y HA 0.153 4.705 4.550 0.004 0.000 0.254 113 Y C 1.734 177.635 175.900 0.001 0.000 1.140 113 Y CA -0.256 57.846 58.100 0.003 0.000 1.272 113 Y CB 0.337 38.804 38.460 0.013 0.000 1.114 113 Y HN 0.017 nan 8.280 nan 0.000 0.525 114 L N 0.679 121.955 121.223 0.088 0.000 2.095 114 L HA -0.181 4.161 4.340 0.004 0.000 0.204 114 L C 2.235 179.113 176.870 0.013 0.000 1.080 114 L CA 1.840 56.708 54.840 0.046 0.000 0.759 114 L CB -0.328 41.746 42.059 0.025 0.000 0.914 114 L HN 0.326 nan 8.230 nan 0.000 0.439 115 N N -0.468 118.220 118.700 -0.018 0.000 2.018 115 N HA -0.336 4.407 4.740 0.004 0.000 0.196 115 N C 1.683 177.183 175.510 -0.017 0.000 1.043 115 N CA 2.239 55.271 53.050 -0.030 0.000 0.856 115 N CB -0.709 37.745 38.487 -0.055 0.000 1.042 115 N HN 0.441 nan 8.380 nan 0.000 0.423 116 Q N -0.777 119.013 119.800 -0.018 0.000 2.224 116 Q HA -0.112 4.230 4.340 0.004 0.000 0.213 116 Q C -0.110 175.904 176.000 0.022 0.000 0.998 116 Q CA 1.241 57.047 55.803 0.006 0.000 0.895 116 Q CB -0.166 28.597 28.738 0.042 0.000 0.926 116 Q HN 0.270 nan 8.270 nan 0.000 0.417 117 V N 1.675 121.608 119.914 0.032 0.000 2.277 117 V HA 0.090 4.212 4.120 0.004 0.000 0.269 117 V C 0.102 176.203 176.094 0.010 0.000 1.036 117 V CA -0.024 62.294 62.300 0.029 0.000 0.821 117 V CB 1.294 33.145 31.823 0.046 0.000 1.052 117 V HN 0.257 nan 8.190 nan 0.000 0.462 118 Q N 2.868 122.668 119.800 -0.000 0.000 2.040 118 Q HA 0.221 4.563 4.340 0.004 0.000 0.212 118 Q C 1.490 177.481 176.000 -0.015 0.000 0.766 118 Q CA 0.558 56.353 55.803 -0.014 0.000 0.967 118 Q CB 1.710 30.436 28.738 -0.021 0.000 1.202 118 Q HN 0.793 nan 8.270 nan 0.000 0.446 119 G N 0.728 109.526 108.800 -0.004 0.000 2.762 119 G HA2 -0.029 3.933 3.960 0.004 0.000 0.209 119 G HA3 -0.029 3.933 3.960 0.004 0.000 0.209 119 G C 1.256 176.158 174.900 0.004 0.000 1.134 119 G CA -0.022 45.076 45.100 -0.003 0.000 0.781 119 G HN 0.063 nan 8.290 nan 0.000 0.528 120 K N -0.028 120.379 120.400 0.013 0.000 2.444 120 K HA 0.255 4.578 4.320 0.004 0.000 0.193 120 K C 0.583 177.201 176.600 0.030 0.000 1.024 120 K CA -0.070 56.231 56.287 0.024 0.000 1.077 120 K CB 0.159 32.679 32.500 0.035 0.000 0.833 120 K HN 0.437 nan 8.250 nan 0.000 0.517 121 L N -2.219 119.013 121.223 0.014 0.000 2.298 121 L HA 0.598 4.940 4.340 0.004 0.000 0.268 121 L C -2.451 174.404 176.870 -0.024 0.000 1.010 121 L CA -1.923 52.921 54.840 0.007 0.000 0.812 121 L CB 0.666 42.717 42.059 -0.013 0.000 1.331 121 L HN -0.238 nan 8.230 nan 0.000 0.450 122 P HA 0.294 nan 4.420 nan 0.000 0.330 122 P C -0.873 176.373 177.300 -0.091 0.000 1.414 122 P CA -0.133 62.930 63.100 -0.060 0.000 0.878 122 P CB 0.238 31.893 31.700 -0.075 0.000 2.176 123 A N -1.626 121.129 122.820 -0.107 0.000 2.295 123 A HA 0.603 4.925 4.320 0.004 0.000 0.318 123 A C 0.832 178.328 177.584 -0.147 0.000 1.134 123 A CA 0.109 52.088 52.037 -0.096 0.000 0.827 123 A CB -0.179 18.784 19.000 -0.061 0.000 1.136 123 A HN 0.781 nan 8.150 nan 0.000 0.493 124 G N -0.070 108.664 108.800 -0.111 0.000 2.602 124 G HA2 -0.008 3.954 3.960 0.004 0.000 0.317 124 G HA3 -0.008 3.954 3.960 0.004 0.000 0.317 124 G C 0.663 175.448 174.900 -0.191 0.000 1.327 124 G CA 1.380 46.408 45.100 -0.121 0.000 0.971 124 G HN 2.224 nan 8.290 nan 0.000 0.540 125 V N -0.918 118.856 119.914 -0.232 0.000 4.766 125 V HA -0.243 3.879 4.120 0.004 0.000 0.260 125 V C 1.147 177.115 176.094 -0.210 0.000 0.542 125 V CA 1.562 63.669 62.300 -0.321 0.000 0.766 125 V CB -2.252 29.148 31.823 -0.705 0.000 0.697 125 V HN 1.393 nan 8.190 nan 0.000 1.171 126 S N 0.380 116.001 115.700 -0.132 0.000 2.572 126 S HA 0.591 5.063 4.470 0.004 0.000 0.279 126 S C 0.732 175.286 174.600 -0.077 0.000 1.341 126 S CA 0.199 58.344 58.200 -0.091 0.000 1.043 126 S CB 1.362 64.523 63.200 -0.064 0.000 0.887 126 S HN 1.226 nan 8.310 nan 0.000 0.516 127 A N 3.255 126.038 122.820 -0.062 0.000 2.310 127 A HA 0.301 4.623 4.320 0.004 0.000 0.300 127 A C 0.356 177.914 177.584 -0.042 0.000 1.269 127 A CA -0.534 51.471 52.037 -0.054 0.000 0.909 127 A CB 0.019 18.993 19.000 -0.043 0.000 1.144 127 A HN 0.807 nan 8.150 nan 0.000 0.540 128 E N 0.786 120.962 120.200 -0.040 0.000 2.398 128 E HA 0.163 4.515 4.350 0.004 0.000 0.263 128 E C -0.963 175.621 176.600 -0.026 0.000 1.046 128 E CA -0.144 56.240 56.400 -0.027 0.000 0.908 128 E CB 1.028 30.721 29.700 -0.013 0.000 0.963 128 E HN 0.520 nan 8.360 nan 0.000 0.431 129 L N 3.105 124.312 121.223 -0.026 0.000 2.356 129 L HA 0.346 4.688 4.340 0.004 0.000 0.264 129 L C 0.262 177.113 176.870 -0.032 0.000 1.029 129 L CA 0.373 55.196 54.840 -0.029 0.000 0.897 129 L CB 0.558 42.601 42.059 -0.027 0.000 1.256 129 L HN 0.729 nan 8.230 nan 0.000 0.444 130 G N 5.214 113.996 108.800 -0.030 0.000 2.586 130 G HA2 -0.263 3.699 3.960 0.004 0.000 0.308 130 G HA3 -0.263 3.699 3.960 0.004 0.000 0.308 130 G C -2.527 172.348 174.900 -0.041 0.000 1.317 130 G CA 0.110 45.191 45.100 -0.031 0.000 0.922 130 G HN 0.567 nan 8.290 nan 0.000 0.551 131 P HA 0.366 nan 4.420 nan 0.000 0.231 131 P C 0.395 177.651 177.300 -0.073 0.000 1.164 131 P CA 1.403 64.459 63.100 -0.073 0.000 0.760 131 P CB 1.040 32.683 31.700 -0.096 0.000 1.586 132 D N -2.358 118.000 120.400 -0.069 0.000 2.520 132 D HA 0.269 4.911 4.640 0.004 0.000 0.386 132 D C -0.337 175.946 176.300 -0.028 0.000 1.267 132 D CA 0.058 54.021 54.000 -0.062 0.000 0.958 132 D CB 0.284 41.075 40.800 -0.016 0.000 1.462 132 D HN 0.212 nan 8.370 nan 0.000 0.438 133 A N -0.305 122.491 122.820 -0.040 0.000 2.282 133 A HA 0.708 5.030 4.320 0.004 0.000 0.324 133 A C 0.651 178.236 177.584 0.003 0.000 1.119 133 A CA -0.053 51.970 52.037 -0.023 0.000 0.880 133 A CB 1.361 20.322 19.000 -0.066 0.000 1.294 133 A HN 0.018 nan 8.150 nan 0.000 0.493 134 T N -1.527 113.042 114.554 0.026 0.000 3.204 134 T HA 0.447 4.800 4.350 0.004 0.000 0.312 134 T C 1.360 176.119 174.700 0.098 0.000 1.254 134 T CA 0.779 62.910 62.100 0.051 0.000 0.913 134 T CB 0.222 69.117 68.868 0.044 0.000 2.143 134 T HN 0.901 nan 8.240 nan 0.000 0.569 135 G N -0.351 108.515 108.800 0.110 0.000 2.656 135 G HA2 0.085 4.047 3.960 0.004 0.000 0.211 135 G HA3 0.085 4.047 3.960 0.004 0.000 0.211 135 G C 1.543 176.545 174.900 0.170 0.000 1.137 135 G CA 0.546 45.752 45.100 0.177 0.000 0.802 135 G HN 0.538 nan 8.290 nan 0.000 0.527 136 V N 1.939 121.906 119.914 0.088 0.000 2.568 136 V HA -0.089 4.033 4.120 0.004 0.000 0.253 136 V C 3.003 179.154 176.094 0.095 0.000 1.072 136 V CA 1.712 64.049 62.300 0.062 0.000 1.084 136 V CB -0.887 30.957 31.823 0.035 0.000 0.676 136 V HN 0.386 nan 8.190 nan 0.000 0.469 137 G N -1.004 107.866 108.800 0.116 0.000 2.501 137 G HA2 -0.227 3.735 3.960 0.004 0.000 0.220 137 G HA3 -0.227 3.735 3.960 0.004 0.000 0.220 137 G C 0.229 175.144 174.900 0.025 0.000 1.114 137 G CA -0.208 44.920 45.100 0.046 0.000 0.757 137 G HN 0.636 nan 8.290 nan 0.000 0.559 138 W N 1.423 122.643 121.300 -0.135 0.000 2.429 138 W HA 0.465 5.127 4.660 0.004 0.000 0.431 138 W C 1.127 177.507 176.519 -0.231 0.000 1.038 138 W CA -1.310 55.922 57.345 -0.188 0.000 1.635 138 W CB -0.501 28.810 29.460 -0.249 0.000 1.721 138 W HN -0.012 nan 8.180 nan 0.000 0.366 139 I N 1.336 121.920 120.570 0.022 0.000 2.533 139 I HA -0.191 3.981 4.170 0.004 0.000 0.197 139 I C 0.955 177.097 176.117 0.042 0.000 1.052 139 I CA 0.352 61.672 61.300 0.033 0.000 1.375 139 I CB -0.751 37.300 38.000 0.085 0.000 1.199 139 I HN 0.118 nan 8.210 nan 0.000 0.407 140 Y N 1.739 122.033 120.300 -0.009 0.000 2.346 140 Y HA 0.147 4.699 4.550 0.004 0.000 0.330 140 Y C 0.147 176.029 175.900 -0.031 0.000 1.178 140 Y CA -0.261 57.862 58.100 0.039 0.000 1.331 140 Y CB 0.689 39.176 38.460 0.045 0.000 1.253 140 Y HN 0.278 nan 8.280 nan 0.000 0.529 141 E N 6.315 126.715 120.200 0.333 0.000 2.317 141 E HA 0.145 4.497 4.350 0.004 0.000 0.270 141 E C -1.880 174.894 176.600 0.290 0.000 0.899 141 E CA -0.803 55.710 56.400 0.189 0.000 0.814 141 E CB 0.730 30.423 29.700 -0.012 0.000 1.296 141 E HN 0.596 nan 8.360 nan 0.000 0.404 142 Y N 2.280 122.859 120.300 0.464 0.000 2.458 142 Y HA 0.872 5.424 4.550 0.004 0.000 0.322 142 Y C -0.690 175.478 175.900 0.447 0.000 1.259 142 Y CA -1.498 56.868 58.100 0.444 0.000 1.302 142 Y CB 0.715 39.424 38.460 0.415 0.000 1.314 142 Y HN 0.374 nan 8.280 nan 0.000 0.509 143 A N 2.211 125.462 122.820 0.718 0.000 2.430 143 A HA 0.712 5.034 4.320 0.004 0.000 0.300 143 A C -1.674 176.011 177.584 0.168 0.000 1.124 143 A CA -1.023 51.269 52.037 0.424 0.000 0.766 143 A CB 1.449 20.416 19.000 -0.054 0.000 1.328 143 A HN 0.788 nan 8.150 nan 0.000 0.424 144 L N 1.775 123.040 121.223 0.070 0.000 2.317 144 L HA 0.681 5.023 4.340 0.004 0.000 0.281 144 L C -0.548 176.296 176.870 -0.043 0.000 1.024 144 L CA -0.429 54.394 54.840 -0.029 0.000 0.810 144 L CB 1.388 43.438 42.059 -0.015 0.000 1.240 144 L HN 0.785 nan 8.230 nan 0.000 0.427 145 V N 0.317 120.198 119.914 -0.055 0.000 2.925 145 V HA 0.670 4.793 4.120 0.004 0.000 0.311 145 V C -1.365 174.711 176.094 -0.030 0.000 1.104 145 V CA -0.986 61.288 62.300 -0.043 0.000 0.954 145 V CB 2.357 34.155 31.823 -0.042 0.000 1.022 145 V HN 0.778 nan 8.190 nan 0.000 0.427 146 D N 2.174 122.567 120.400 -0.012 0.000 2.408 146 D HA 0.459 5.101 4.640 0.004 0.000 0.243 146 D C 0.215 176.524 176.300 0.015 0.000 1.075 146 D CA -0.783 53.226 54.000 0.015 0.000 0.832 146 D CB 1.947 42.770 40.800 0.039 0.000 1.162 146 D HN 0.528 nan 8.370 nan 0.000 0.515 147 R N 0.650 121.164 120.500 0.023 0.000 2.317 147 R HA 0.162 4.504 4.340 0.004 0.000 0.208 147 R C -0.037 176.278 176.300 0.025 0.000 0.914 147 R CA 0.032 56.142 56.100 0.018 0.000 1.060 147 R CB 0.143 30.452 30.300 0.015 0.000 1.015 147 R HN 0.657 nan 8.270 nan 0.000 0.498 148 S N -3.148 112.576 115.700 0.039 0.000 2.579 148 S HA 0.350 4.822 4.470 0.004 0.000 0.272 148 S C 0.374 174.993 174.600 0.032 0.000 1.141 148 S CA -0.804 57.414 58.200 0.030 0.000 0.843 148 S CB 1.799 65.017 63.200 0.030 0.000 1.122 148 S HN 0.043 nan 8.310 nan 0.000 0.468 149 G N 0.125 108.932 108.800 0.011 0.000 3.327 149 G HA2 0.125 4.087 3.960 0.004 0.000 0.240 149 G HA3 0.125 4.087 3.960 0.004 0.000 0.240 149 G C 0.658 175.550 174.900 -0.013 0.000 1.222 149 G CA -0.171 44.932 45.100 0.006 0.000 0.871 149 G HN 0.733 nan 8.290 nan 0.000 0.525 150 K N -0.375 120.006 120.400 -0.031 0.000 2.361 150 K HA 0.075 4.397 4.320 0.004 0.000 0.196 150 K C 0.204 176.676 176.600 -0.212 0.000 1.039 150 K CA 0.091 56.306 56.287 -0.120 0.000 1.001 150 K CB 0.092 32.500 32.500 -0.153 0.000 0.795 150 K HN 0.243 nan 8.250 nan 0.000 0.495 151 H N 0.032 119.103 119.070 0.002 0.000 2.499 151 H HA 0.167 4.725 4.556 0.004 0.000 0.340 151 H C -1.111 174.221 175.328 0.008 0.000 1.148 151 H CA -0.649 55.403 56.048 0.006 0.000 1.215 151 H CB 1.767 31.535 29.762 0.010 0.000 1.529 151 H HN 0.064 nan 8.280 nan 0.000 0.510 152 D N 1.667 122.179 120.400 0.186 0.000 2.185 152 D HA 0.120 4.763 4.640 0.004 0.000 0.247 152 D C 1.358 177.712 176.300 0.090 0.000 1.027 152 D CA -0.518 53.542 54.000 0.099 0.000 0.861 152 D CB 1.443 42.288 40.800 0.074 0.000 1.202 152 D HN 0.397 nan 8.370 nan 0.000 0.453 153 L N 2.459 123.721 121.223 0.064 0.000 1.997 153 L HA -0.273 4.069 4.340 0.004 0.000 0.216 153 L C 2.215 179.130 176.870 0.075 0.000 1.074 153 L CA 1.898 56.775 54.840 0.061 0.000 0.763 153 L CB -0.363 41.726 42.059 0.051 0.000 0.890 153 L HN 0.585 nan 8.230 nan 0.000 0.434 154 A N -0.818 122.043 122.820 0.068 0.000 1.908 154 A HA -0.299 4.023 4.320 0.004 0.000 0.218 154 A C 2.033 179.672 177.584 0.092 0.000 1.181 154 A CA 2.129 54.209 52.037 0.071 0.000 0.627 154 A CB -0.682 18.332 19.000 0.023 0.000 0.818 154 A HN 0.443 nan 8.150 nan 0.000 0.445 155 D N -0.357 120.096 120.400 0.087 0.000 2.182 155 D HA -0.104 4.538 4.640 0.004 0.000 0.201 155 D C 1.908 178.269 176.300 0.102 0.000 0.986 155 D CA 0.821 54.885 54.000 0.108 0.000 0.847 155 D CB -0.106 40.790 40.800 0.161 0.000 0.942 155 D HN 0.452 nan 8.370 nan 0.000 0.467 156 L N 0.010 121.283 121.223 0.084 0.000 1.993 156 L HA -0.090 4.252 4.340 0.004 0.000 0.206 156 L C 2.769 179.693 176.870 0.089 0.000 1.074 156 L CA 0.737 55.611 54.840 0.056 0.000 0.746 156 L CB -0.360 41.724 42.059 0.041 0.000 0.896 156 L HN -0.042 nan 8.230 nan 0.000 0.435 157 R N 0.011 120.578 120.500 0.113 0.000 2.105 157 R HA -0.150 4.192 4.340 0.004 0.000 0.239 157 R C 2.276 178.675 176.300 0.165 0.000 1.135 157 R CA 1.880 58.051 56.100 0.120 0.000 0.967 157 R CB -0.289 30.090 30.300 0.132 0.000 0.861 157 R HN 0.358 nan 8.270 nan 0.000 0.442 158 S N 1.321 117.198 115.700 0.294 0.000 2.368 158 S HA -0.165 4.307 4.470 0.004 0.000 0.225 158 S C 1.808 176.612 174.600 0.339 0.000 1.030 158 S CA 1.080 59.590 58.200 0.517 0.000 0.999 158 S CB -0.324 63.241 63.200 0.608 0.000 0.844 158 S HN 0.268 nan 8.310 nan 0.000 0.459 159 L N 1.995 123.346 121.223 0.214 0.000 2.046 159 L HA -0.055 4.287 4.340 0.004 0.000 0.208 159 L C 2.350 179.280 176.870 0.099 0.000 1.077 159 L CA 1.821 56.766 54.840 0.175 0.000 0.747 159 L CB -0.946 41.177 42.059 0.108 0.000 0.896 159 L HN 0.150 nan 8.230 nan 0.000 0.432 160 Q N -0.352 119.476 119.800 0.047 0.000 2.084 160 Q HA -0.224 4.118 4.340 0.004 0.000 0.202 160 Q C 1.910 177.873 176.000 -0.062 0.000 0.978 160 Q CA 2.075 57.883 55.803 0.008 0.000 0.844 160 Q CB -0.268 28.506 28.738 0.061 0.000 0.898 160 Q HN 0.599 nan 8.270 nan 0.000 0.426 161 D N -1.219 119.093 120.400 -0.145 0.000 2.123 161 D HA -0.108 4.534 4.640 0.004 0.000 0.200 161 D C 1.131 177.031 176.300 -0.668 0.000 0.976 161 D CA 0.777 54.486 54.000 -0.486 0.000 0.831 161 D CB -0.011 40.296 40.800 -0.822 0.000 0.974 161 D HN 0.388 nan 8.370 nan 0.000 0.469 162 W N -0.710 120.511 121.300 -0.130 0.000 3.220 162 W HA 0.227 4.889 4.660 0.004 0.000 0.328 162 W C 1.180 177.506 176.519 -0.322 0.000 1.205 162 W CA -0.373 56.778 57.345 -0.323 0.000 1.773 162 W CB -0.171 29.155 29.460 -0.224 0.000 1.086 162 W HN -0.041 nan 8.180 nan 0.000 0.622 163 F N -1.239 118.590 119.950 -0.202 0.000 2.784 163 F HA 0.150 4.680 4.527 0.004 0.000 0.316 163 F C 1.688 177.438 175.800 -0.083 0.000 1.026 163 F CA 0.218 58.135 58.000 -0.138 0.000 1.188 163 F CB -0.080 38.892 39.000 -0.046 0.000 0.999 163 F HN -0.375 nan 8.300 nan 0.000 0.605 164 L N 0.609 121.733 121.223 -0.166 0.000 2.127 164 L HA -0.048 4.294 4.340 0.004 0.000 0.203 164 L C 2.120 178.966 176.870 -0.039 0.000 1.080 164 L CA 1.068 55.793 54.840 -0.192 0.000 0.768 164 L CB -0.419 41.578 42.059 -0.102 0.000 0.924 164 L HN 0.085 nan 8.230 nan 0.000 0.444 165 K N -0.517 119.892 120.400 0.015 0.000 2.057 165 K HA -0.199 4.123 4.320 0.004 0.000 0.207 165 K C 2.171 178.997 176.600 0.378 0.000 1.049 165 K CA 1.505 57.889 56.287 0.161 0.000 0.931 165 K CB -0.023 32.585 32.500 0.179 0.000 0.714 165 K HN 0.109 nan 8.250 nan 0.000 0.440 166 Y N 1.305 121.602 120.300 -0.005 0.000 2.224 166 Y HA -0.128 4.424 4.550 0.004 0.000 0.289 166 Y C 2.001 177.906 175.900 0.009 0.000 1.146 166 Y CA 0.760 58.879 58.100 0.031 0.000 1.182 166 Y CB -0.558 37.964 38.460 0.103 0.000 0.983 166 Y HN 0.086 nan 8.280 nan 0.000 0.524 167 E N -0.635 119.652 120.200 0.146 0.000 2.409 167 E HA -0.086 4.266 4.350 0.004 0.000 0.198 167 E C 1.633 178.228 176.600 -0.009 0.000 1.024 167 E CA 0.604 57.014 56.400 0.017 0.000 0.861 167 E CB 0.065 29.667 29.700 -0.163 0.000 0.788 167 E HN 0.341 nan 8.360 nan 0.000 0.521 168 L N -0.099 121.124 121.223 0.001 0.000 2.590 168 L HA 0.138 4.480 4.340 0.004 0.000 0.181 168 L C 1.989 178.837 176.870 -0.036 0.000 1.134 168 L CA 0.675 55.496 54.840 -0.031 0.000 0.850 168 L CB -0.938 41.092 42.059 -0.049 0.000 1.172 168 L HN -0.137 nan 8.230 nan 0.000 0.498 169 K N -0.163 120.214 120.400 -0.039 0.000 2.448 169 K HA -0.168 4.154 4.320 0.004 0.000 0.200 169 K C 0.559 177.128 176.600 -0.051 0.000 1.045 169 K CA 1.369 57.621 56.287 -0.058 0.000 0.933 169 K CB -0.050 32.405 32.500 -0.076 0.000 0.755 169 K HN 0.301 nan 8.250 nan 0.000 0.481 170 T N 0.776 115.309 114.554 -0.034 0.000 3.509 170 T HA 0.125 4.477 4.350 0.004 0.000 0.250 170 T C 0.282 174.968 174.700 -0.022 0.000 1.076 170 T CA 0.410 62.496 62.100 -0.025 0.000 0.966 170 T CB -0.192 68.674 68.868 -0.004 0.000 1.046 170 T HN 0.093 nan 8.240 nan 0.000 0.591 171 I N 2.486 123.038 120.570 -0.031 0.000 2.439 171 I HA 0.225 4.397 4.170 0.004 0.000 0.283 171 I C -1.574 174.526 176.117 -0.029 0.000 1.023 171 I CA -2.565 58.717 61.300 -0.029 0.000 1.100 171 I CB 2.476 40.453 38.000 -0.038 0.000 1.238 171 I HN -0.119 nan 8.210 nan 0.000 0.445 172 P HA -0.286 nan 4.420 nan 0.000 0.231 172 P C 0.385 177.674 177.300 -0.018 0.000 0.982 172 P CA 1.966 65.056 63.100 -0.016 0.000 1.072 172 P CB 0.191 31.883 31.700 -0.013 0.000 0.706 173 D N -2.775 117.612 120.400 -0.021 0.000 2.556 173 D HA 0.157 4.799 4.640 0.004 0.000 0.237 173 D C -0.199 176.084 176.300 -0.029 0.000 1.296 173 D CA -0.136 53.853 54.000 -0.019 0.000 0.807 173 D CB 0.723 41.514 40.800 -0.014 0.000 1.084 173 D HN -0.011 nan 8.370 nan 0.000 0.510 174 V N 1.771 121.659 119.914 -0.042 0.000 2.521 174 V HA 0.289 4.412 4.120 0.004 0.000 0.286 174 V C 1.365 177.419 176.094 -0.066 0.000 1.034 174 V CA 0.081 62.342 62.300 -0.064 0.000 1.045 174 V CB 1.176 32.953 31.823 -0.076 0.000 0.974 174 V HN 0.123 nan 8.190 nan 0.000 0.480 175 A N 4.789 127.560 122.820 -0.081 0.000 1.909 175 A HA 0.146 4.468 4.320 0.004 0.000 0.215 175 A C 0.930 178.451 177.584 -0.104 0.000 1.392 175 A CA 0.545 52.535 52.037 -0.079 0.000 0.599 175 A CB -0.092 18.857 19.000 -0.085 0.000 1.029 175 A HN 0.762 nan 8.150 nan 0.000 0.480 176 E N -0.950 119.162 120.200 -0.146 0.000 2.235 176 E HA 0.561 4.913 4.350 0.004 0.000 0.265 176 E C -1.973 174.506 176.600 -0.202 0.000 0.940 176 E CA -0.565 55.738 56.400 -0.161 0.000 0.819 176 E CB 2.028 31.624 29.700 -0.174 0.000 1.206 176 E HN 0.102 nan 8.360 nan 0.000 0.409 177 V N 2.653 122.459 119.914 -0.180 0.000 2.380 177 V HA 0.392 4.514 4.120 0.004 0.000 0.268 177 V C -0.563 175.420 176.094 -0.186 0.000 1.008 177 V CA -0.455 61.727 62.300 -0.197 0.000 0.823 177 V CB 0.884 32.622 31.823 -0.141 0.000 1.053 177 V HN 0.720 nan 8.190 nan 0.000 0.446 178 A N 3.719 126.398 122.820 -0.235 0.000 2.320 178 A HA 0.705 5.028 4.320 0.004 0.000 0.287 178 A C 0.663 178.181 177.584 -0.110 0.000 1.181 178 A CA -0.118 51.815 52.037 -0.172 0.000 0.831 178 A CB 0.549 19.428 19.000 -0.203 0.000 1.102 178 A HN 0.958 nan 8.150 nan 0.000 0.513 179 S N 1.770 117.430 115.700 -0.067 0.000 2.565 179 S HA 0.513 4.986 4.470 0.004 0.000 0.276 179 S C -0.116 174.508 174.600 0.040 0.000 1.326 179 S CA -0.496 57.700 58.200 -0.007 0.000 1.045 179 S CB 1.291 64.472 63.200 -0.032 0.000 0.918 179 S HN 1.484 nan 8.310 nan 0.000 0.505 180 V N 2.839 122.812 119.914 0.098 0.000 2.823 180 V HA 0.776 4.899 4.120 0.004 0.000 0.312 180 V C 0.640 176.821 176.094 0.144 0.000 1.072 180 V CA 0.843 63.218 62.300 0.125 0.000 0.937 180 V CB 0.879 32.791 31.823 0.148 0.000 1.013 180 V HN 1.890 nan 8.190 nan 0.000 0.430 181 G N 3.710 112.583 108.800 0.123 0.000 2.806 181 G HA2 0.382 4.344 3.960 0.004 0.000 0.236 181 G HA3 0.382 4.344 3.960 0.004 0.000 0.236 181 G C 0.878 175.838 174.900 0.100 0.000 1.387 181 G CA 0.234 45.402 45.100 0.113 0.000 0.884 181 G HN 2.801 nan 8.290 nan 0.000 0.560 182 G N -2.640 106.211 108.800 0.085 0.000 2.475 182 G HA2 0.392 4.354 3.960 0.004 0.000 0.223 182 G HA3 0.392 4.354 3.960 0.004 0.000 0.223 182 G C 0.032 174.981 174.900 0.081 0.000 1.201 182 G CA 0.976 46.124 45.100 0.080 0.000 0.962 182 G HN 2.384 nan 8.290 nan 0.000 0.586 183 V N -0.432 119.539 119.914 0.094 0.000 3.023 183 V HA 0.564 4.686 4.120 0.004 0.000 0.294 183 V C -0.606 175.567 176.094 0.132 0.000 1.324 183 V CA 0.003 62.363 62.300 0.100 0.000 0.979 183 V CB 2.026 33.895 31.823 0.078 0.000 1.093 183 V HN 1.671 nan 8.190 nan 0.000 0.434 184 V N 3.264 123.269 119.914 0.152 0.000 2.384 184 V HA 0.542 4.665 4.120 0.004 0.000 0.287 184 V C 0.210 176.401 176.094 0.162 0.000 1.020 184 V CA -1.132 61.307 62.300 0.232 0.000 0.850 184 V CB 1.323 33.304 31.823 0.264 0.000 0.987 184 V HN 0.878 nan 8.190 nan 0.000 0.436 185 K N 3.067 123.497 120.400 0.051 0.000 2.477 185 K HA -0.027 4.295 4.320 0.004 0.000 0.275 185 K C 0.060 176.617 176.600 -0.072 0.000 1.054 185 K CA 0.710 56.885 56.287 -0.186 0.000 1.135 185 K CB 0.277 32.280 32.500 -0.829 0.000 0.854 185 K HN 0.889 nan 8.250 nan 0.000 0.484 186 E N 5.071 125.280 120.200 0.016 0.000 2.402 186 E HA 0.086 4.438 4.350 0.004 0.000 0.244 186 E C -1.123 175.616 176.600 0.233 0.000 0.945 186 E CA -0.770 55.676 56.400 0.078 0.000 0.774 186 E CB 0.455 30.219 29.700 0.106 0.000 1.296 186 E HN 0.395 nan 8.360 nan 0.000 0.414 187 Y N 1.880 122.250 120.300 0.117 0.000 2.729 187 Y HA -0.019 4.533 4.550 0.004 0.000 0.331 187 Y C 0.509 176.516 175.900 0.178 0.000 1.208 187 Y CA 0.165 58.383 58.100 0.197 0.000 1.521 187 Y CB 0.102 38.787 38.460 0.375 0.000 1.233 187 Y HN 0.386 nan 8.280 nan 0.000 0.539 188 Q N 2.199 122.178 119.800 0.299 0.000 2.327 188 Q HA 0.442 4.784 4.340 0.004 0.000 0.270 188 Q C -1.151 174.921 176.000 0.120 0.000 1.022 188 Q CA -0.795 55.112 55.803 0.173 0.000 0.773 188 Q CB 2.479 31.298 28.738 0.135 0.000 1.251 188 Q HN 0.392 nan 8.270 nan 0.000 0.457 189 V N 3.257 123.205 119.914 0.057 0.000 2.408 189 V HA 0.128 4.251 4.120 0.004 0.000 0.267 189 V C -0.202 175.914 176.094 0.036 0.000 1.047 189 V CA -0.375 61.929 62.300 0.007 0.000 0.937 189 V CB 1.473 33.254 31.823 -0.069 0.000 0.999 189 V HN 0.523 nan 8.190 nan 0.000 0.472 190 V N 8.038 127.978 119.914 0.043 0.000 2.270 190 V HA 0.358 4.480 4.120 0.004 0.000 0.263 190 V C 0.421 176.537 176.094 0.037 0.000 1.066 190 V CA -0.452 61.885 62.300 0.062 0.000 0.857 190 V CB 0.354 32.219 31.823 0.070 0.000 1.099 190 V HN 0.679 nan 8.190 nan 0.000 0.476 191 I N 4.997 125.597 120.570 0.051 0.000 2.948 191 I HA 0.011 4.183 4.170 0.004 0.000 0.303 191 I C 0.294 176.356 176.117 -0.091 0.000 1.224 191 I CA 0.963 62.261 61.300 -0.003 0.000 1.442 191 I CB 0.524 38.572 38.000 0.080 0.000 1.328 191 I HN 0.775 nan 8.210 nan 0.000 0.578 192 D N 8.512 128.830 120.400 -0.136 0.000 2.471 192 D HA 0.363 5.005 4.640 0.004 0.000 0.245 192 D C -1.986 174.184 176.300 -0.217 0.000 1.116 192 D CA -1.923 51.988 54.000 -0.148 0.000 0.853 192 D CB 1.782 42.542 40.800 -0.067 0.000 1.123 192 D HN 0.129 nan 8.370 nan 0.000 0.540 193 P HA -0.038 nan 4.420 nan 0.000 0.242 193 P C 0.790 177.969 177.300 -0.202 0.000 1.197 193 P CA 0.776 63.622 63.100 -0.423 0.000 0.765 193 P CB 0.507 31.761 31.700 -0.743 0.000 0.936 194 Q N -0.616 119.121 119.800 -0.104 0.000 2.084 194 Q HA 0.055 4.397 4.340 0.004 0.000 0.194 194 Q C 2.187 178.188 176.000 0.001 0.000 0.969 194 Q CA 0.695 56.485 55.803 -0.022 0.000 0.829 194 Q CB -0.191 28.565 28.738 0.030 0.000 0.904 194 Q HN -0.074 nan 8.270 nan 0.000 0.464 195 R N 0.636 121.115 120.500 -0.036 0.000 2.211 195 R HA -0.130 4.212 4.340 0.004 0.000 0.240 195 R C 1.962 178.198 176.300 -0.107 0.000 1.144 195 R CA 0.792 56.832 56.100 -0.101 0.000 0.992 195 R CB -0.688 29.469 30.300 -0.238 0.000 0.869 195 R HN 0.226 nan 8.270 nan 0.000 0.462 196 L N -0.230 120.949 121.223 -0.073 0.000 2.418 196 L HA 0.141 4.483 4.340 0.004 0.000 0.218 196 L C 1.822 178.715 176.870 0.039 0.000 1.125 196 L CA 1.106 55.926 54.840 -0.032 0.000 0.835 196 L CB -0.060 41.967 42.059 -0.053 0.000 0.953 196 L HN 0.096 nan 8.230 nan 0.000 0.454 197 A N -1.604 121.241 122.820 0.042 0.000 2.014 197 A HA -0.004 4.318 4.320 0.004 0.000 0.210 197 A C 2.081 179.719 177.584 0.089 0.000 1.188 197 A CA 0.506 52.570 52.037 0.045 0.000 0.731 197 A CB -0.142 18.861 19.000 0.005 0.000 0.858 197 A HN 0.485 nan 8.150 nan 0.000 0.464 198 Q N -0.970 118.930 119.800 0.166 0.000 1.990 198 Q HA -0.154 4.189 4.340 0.004 0.000 0.200 198 Q C 1.794 177.887 176.000 0.156 0.000 0.980 198 Q CA 2.052 57.959 55.803 0.172 0.000 0.832 198 Q CB -0.358 28.546 28.738 0.275 0.000 0.897 198 Q HN 0.847 nan 8.270 nan 0.000 0.427 199 Y N -0.949 119.349 120.300 -0.003 0.000 2.263 199 Y HA -0.004 4.548 4.550 0.004 0.000 0.292 199 Y C 1.477 177.375 175.900 -0.003 0.000 1.130 199 Y CA 0.383 58.481 58.100 -0.002 0.000 1.179 199 Y CB 0.338 38.799 38.460 0.000 0.000 0.998 199 Y HN 0.345 nan 8.280 nan 0.000 0.532 200 G N 1.144 110.039 108.800 0.159 0.000 2.145 200 G HA2 -0.207 3.756 3.960 0.004 0.000 0.176 200 G HA3 -0.207 3.756 3.960 0.004 0.000 0.176 200 G C -0.141 174.802 174.900 0.072 0.000 1.013 200 G CA -0.049 45.101 45.100 0.083 0.000 0.689 200 G HN 0.386 nan 8.290 nan 0.000 0.506 201 I N -1.518 119.099 120.570 0.078 0.000 2.355 201 I HA 0.799 4.971 4.170 0.004 0.000 0.288 201 I C 0.231 176.386 176.117 0.062 0.000 0.999 201 I CA -0.765 60.569 61.300 0.057 0.000 1.163 201 I CB 1.627 39.653 38.000 0.043 0.000 1.316 201 I HN 0.030 nan 8.210 nan 0.000 0.454 202 S N 4.651 120.391 115.700 0.068 0.000 2.624 202 S HA 0.408 4.880 4.470 0.004 0.000 0.263 202 S C 1.228 175.861 174.600 0.055 0.000 1.287 202 S CA -0.645 57.616 58.200 0.102 0.000 0.990 202 S CB 1.051 64.319 63.200 0.113 0.000 0.950 202 S HN 0.740 nan 8.310 nan 0.000 0.561 203 L N 1.638 122.879 121.223 0.030 0.000 2.056 203 L HA -0.066 4.277 4.340 0.004 0.000 0.207 203 L C 2.557 179.378 176.870 -0.081 0.000 1.078 203 L CA 1.524 56.313 54.840 -0.086 0.000 0.749 203 L CB -0.968 40.904 42.059 -0.312 0.000 0.901 203 L HN 0.823 nan 8.230 nan 0.000 0.433 204 A N -0.311 122.471 122.820 -0.064 0.000 2.259 204 A HA -0.153 4.169 4.320 0.004 0.000 0.212 204 A C 1.915 179.487 177.584 -0.021 0.000 1.178 204 A CA 1.186 53.197 52.037 -0.042 0.000 0.734 204 A CB -0.362 18.629 19.000 -0.016 0.000 0.774 204 A HN 0.561 nan 8.150 nan 0.000 0.481 205 E N -0.662 119.530 120.200 -0.014 0.000 2.175 205 E HA -0.010 4.343 4.350 0.004 0.000 0.195 205 E C 1.849 178.438 176.600 -0.018 0.000 0.934 205 E CA 0.851 57.246 56.400 -0.008 0.000 0.870 205 E CB -0.248 29.456 29.700 0.007 0.000 0.838 205 E HN 0.418 nan 8.360 nan 0.000 0.474 206 V N 2.227 122.127 119.914 -0.023 0.000 2.244 206 V HA -0.223 3.899 4.120 0.004 0.000 0.244 206 V C 2.487 178.555 176.094 -0.044 0.000 1.042 206 V CA 1.939 64.219 62.300 -0.034 0.000 1.006 206 V CB -0.681 31.122 31.823 -0.034 0.000 0.641 206 V HN 0.111 nan 8.190 nan 0.000 0.446 207 K N 0.309 120.678 120.400 -0.052 0.000 2.211 207 K HA -0.198 4.124 4.320 0.004 0.000 0.204 207 K C 2.470 179.046 176.600 -0.040 0.000 1.047 207 K CA 1.509 57.764 56.287 -0.053 0.000 0.935 207 K CB -0.250 32.208 32.500 -0.069 0.000 0.728 207 K HN 0.442 nan 8.250 nan 0.000 0.452 208 S N -0.151 115.529 115.700 -0.034 0.000 2.355 208 S HA -0.108 4.364 4.470 0.004 0.000 0.222 208 S C 1.953 176.540 174.600 -0.020 0.000 1.031 208 S CA 1.199 59.385 58.200 -0.023 0.000 0.993 208 S CB -0.265 62.925 63.200 -0.018 0.000 0.859 208 S HN 0.470 nan 8.310 nan 0.000 0.453 209 A N 1.266 124.072 122.820 -0.023 0.000 1.898 209 A HA 0.043 4.366 4.320 0.004 0.000 0.216 209 A C 2.124 179.694 177.584 -0.023 0.000 1.181 209 A CA 1.459 53.483 52.037 -0.020 0.000 0.620 209 A CB -0.870 18.117 19.000 -0.023 0.000 0.819 209 A HN 0.526 nan 8.150 nan 0.000 0.442 210 L N 0.198 121.398 121.223 -0.038 0.000 2.046 210 L HA -0.147 4.195 4.340 0.004 0.000 0.208 210 L C 1.633 178.492 176.870 -0.018 0.000 1.077 210 L CA 2.273 57.083 54.840 -0.049 0.000 0.747 210 L CB -0.914 41.099 42.059 -0.078 0.000 0.896 210 L HN 0.343 nan 8.230 nan 0.000 0.432 211 D N -0.648 119.744 120.400 -0.013 0.000 2.117 211 D HA -0.127 4.515 4.640 0.004 0.000 0.197 211 D C 2.216 178.523 176.300 0.012 0.000 0.987 211 D CA 1.426 55.427 54.000 0.002 0.000 0.829 211 D CB -0.124 40.674 40.800 -0.003 0.000 0.961 211 D HN 0.405 nan 8.370 nan 0.000 0.460 212 A N 0.435 123.258 122.820 0.005 0.000 1.902 212 A HA -0.087 4.235 4.320 0.004 0.000 0.217 212 A C 1.493 179.088 177.584 0.017 0.000 1.181 212 A CA 1.340 53.382 52.037 0.008 0.000 0.623 212 A CB -0.352 18.648 19.000 0.001 0.000 0.818 212 A HN 0.249 nan 8.150 nan 0.000 0.443 213 S N 0.349 116.062 115.700 0.022 0.000 3.965 213 S HA 0.418 4.890 4.470 0.004 0.000 0.195 213 S C -0.109 174.536 174.600 0.076 0.000 1.449 213 S CA 0.006 58.230 58.200 0.041 0.000 0.965 213 S CB -0.641 62.583 63.200 0.040 0.000 1.459 213 S HN 0.588 nan 8.310 nan 0.000 0.476 214 N N 0.845 119.591 118.700 0.077 0.000 3.054 214 N HA 0.054 4.796 4.740 0.004 0.000 0.182 214 N C -0.794 174.776 175.510 0.100 0.000 1.267 214 N CA -0.085 53.045 53.050 0.134 0.000 1.495 214 N CB 0.164 38.768 38.487 0.194 0.000 1.612 214 N HN 0.522 nan 8.380 nan 0.000 0.625 215 Q N 0.146 119.924 119.800 -0.036 0.000 3.353 215 Q HA 0.592 4.934 4.340 0.004 0.000 0.302 215 Q C -1.290 174.437 176.000 -0.456 0.000 0.991 215 Q CA -0.948 54.753 55.803 -0.170 0.000 0.827 215 Q CB 1.889 30.578 28.738 -0.082 0.000 1.694 215 Q HN 0.343 nan 8.270 nan 0.000 0.458 216 E N -0.470 119.493 120.200 -0.395 0.000 2.879 216 E HA 0.546 4.898 4.350 0.004 0.000 0.345 216 E C -2.286 174.198 176.600 -0.194 0.000 0.955 216 E CA -0.275 55.883 56.400 -0.403 0.000 0.801 216 E CB 0.927 30.152 29.700 -0.792 0.000 1.324 216 E HN 0.652 nan 8.360 nan 0.000 0.417 217 A N 2.707 125.457 122.820 -0.117 0.000 2.498 217 A HA 0.977 5.299 4.320 0.004 0.000 0.298 217 A C -0.412 177.149 177.584 -0.039 0.000 1.075 217 A CA -0.284 51.716 52.037 -0.061 0.000 0.714 217 A CB 1.936 20.908 19.000 -0.046 0.000 1.299 217 A HN 0.677 nan 8.150 nan 0.000 0.407 218 G N -1.071 107.717 108.800 -0.020 0.000 2.563 218 G HA2 0.597 4.559 3.960 0.004 0.000 0.302 218 G HA3 0.597 4.559 3.960 0.004 0.000 0.302 218 G C -0.222 174.677 174.900 -0.003 0.000 1.301 218 G CA -0.152 44.943 45.100 -0.008 0.000 0.965 218 G HN 1.602 nan 8.290 nan 0.000 0.480 219 G N -0.405 108.396 108.800 0.001 0.000 4.566 219 G HA2 0.583 4.545 3.960 0.004 0.000 0.276 219 G HA3 0.583 4.545 3.960 0.004 0.000 0.276 219 G C -0.140 174.766 174.900 0.009 0.000 1.248 219 G CA 0.720 45.822 45.100 0.003 0.000 0.858 219 G HN 1.649 nan 8.290 nan 0.000 0.549 220 S N -1.026 114.683 115.700 0.015 0.000 4.169 220 S HA -0.063 4.409 4.470 0.004 0.000 0.642 220 S C -0.272 174.349 174.600 0.034 0.000 1.074 220 S CA 0.001 58.214 58.200 0.021 0.000 1.250 220 S CB -0.854 62.356 63.200 0.017 0.000 0.324 220 S HN 0.936 nan 8.310 nan 0.000 1.787 221 S N 0.904 116.626 115.700 0.036 0.000 2.472 221 S HA 0.727 5.199 4.470 0.004 0.000 0.303 221 S C -0.319 174.320 174.600 0.065 0.000 1.099 221 S CA -0.661 57.572 58.200 0.056 0.000 1.077 221 S CB 0.897 64.121 63.200 0.040 0.000 1.031 221 S HN 0.591 nan 8.310 nan 0.000 0.487 222 I N 1.713 122.347 120.570 0.107 0.000 2.331 222 I HA 0.360 4.532 4.170 0.004 0.000 0.292 222 I C 0.428 176.631 176.117 0.143 0.000 0.998 222 I CA -0.439 60.924 61.300 0.105 0.000 1.267 222 I CB 0.976 39.032 38.000 0.093 0.000 1.386 222 I HN 0.594 nan 8.210 nan 0.000 0.476 223 E N 5.187 125.442 120.200 0.092 0.000 1.892 223 E HA 0.181 4.533 4.350 0.004 0.000 0.271 223 E C -0.172 176.490 176.600 0.103 0.000 1.146 223 E CA -0.396 56.052 56.400 0.080 0.000 1.096 223 E CB 0.459 30.184 29.700 0.041 0.000 1.155 223 E HN 0.482 nan 8.360 nan 0.000 0.458 224 L N 2.089 123.430 121.223 0.196 0.000 2.822 224 L HA 0.453 4.795 4.340 0.004 0.000 0.153 224 L C -0.004 176.955 176.870 0.149 0.000 1.695 224 L CA 0.263 55.228 54.840 0.208 0.000 2.336 224 L CB -0.204 42.082 42.059 0.379 0.000 2.854 224 L HN 0.361 nan 8.230 nan 0.000 0.610 225 A N 0.500 123.429 122.820 0.182 0.000 2.553 225 A HA 0.024 4.346 4.320 0.004 0.000 0.258 225 A C 1.178 178.782 177.584 0.034 0.000 1.069 225 A CA 0.378 52.475 52.037 0.100 0.000 0.767 225 A CB -0.536 18.532 19.000 0.115 0.000 0.997 225 A HN 0.670 nan 8.150 nan 0.000 0.512 226 E N 2.418 122.622 120.200 0.006 0.000 2.507 226 E HA -0.287 4.065 4.350 0.004 0.000 0.242 226 E C 1.041 177.593 176.600 -0.081 0.000 1.169 226 E CA 1.932 58.317 56.400 -0.025 0.000 0.972 226 E CB -0.473 29.215 29.700 -0.020 0.000 0.806 226 E HN 0.941 nan 8.360 nan 0.000 0.449 227 A N 1.550 124.284 122.820 -0.144 0.000 2.489 227 A HA 0.036 4.358 4.320 0.004 0.000 0.289 227 A C 0.202 177.536 177.584 -0.417 0.000 1.216 227 A CA 0.373 52.260 52.037 -0.251 0.000 0.883 227 A CB -0.467 18.366 19.000 -0.280 0.000 1.110 227 A HN 0.312 nan 8.150 nan 0.000 0.523 228 E N 2.376 122.431 120.200 -0.242 0.000 2.502 228 E HA 0.055 4.407 4.350 0.004 0.000 0.261 228 E C -1.214 175.241 176.600 -0.242 0.000 0.974 228 E CA 0.584 56.880 56.400 -0.173 0.000 0.936 228 E CB 0.233 29.893 29.700 -0.066 0.000 0.926 228 E HN 0.616 nan 8.360 nan 0.000 0.459 229 Y N 2.937 123.237 120.300 0.001 0.000 2.446 229 Y HA 0.333 4.885 4.550 0.004 0.000 0.338 229 Y C 0.308 176.208 175.900 0.001 0.000 1.055 229 Y CA -1.047 57.054 58.100 0.001 0.000 1.101 229 Y CB 1.688 40.148 38.460 0.001 0.000 1.221 229 Y HN 0.424 nan 8.280 nan 0.000 0.460 230 M N 2.977 122.684 119.600 0.178 0.000 2.423 230 M HA 0.514 4.996 4.480 0.004 0.000 0.335 230 M C -0.987 175.363 176.300 0.083 0.000 1.177 230 M CA -0.945 54.413 55.300 0.097 0.000 1.038 230 M CB 1.833 34.472 32.600 0.065 0.000 1.641 230 M HN 0.415 nan 8.290 nan 0.000 0.455 231 V N 3.130 123.072 119.914 0.046 0.000 2.459 231 V HA 0.668 4.790 4.120 0.004 0.000 0.295 231 V C -1.057 175.044 176.094 0.011 0.000 1.029 231 V CA -0.456 61.857 62.300 0.021 0.000 0.874 231 V CB 1.674 33.504 31.823 0.010 0.000 0.985 231 V HN 0.940 nan 8.190 nan 0.000 0.438 232 R N 4.927 125.429 120.500 0.003 0.000 2.740 232 R HA 0.863 5.205 4.340 0.004 0.000 0.282 232 R C -0.884 175.404 176.300 -0.019 0.000 0.969 232 R CA -0.251 55.846 56.100 -0.005 0.000 0.918 232 R CB 2.103 32.406 30.300 0.004 0.000 1.175 232 R HN 0.918 nan 8.270 nan 0.000 0.464 233 A N 1.978 124.777 122.820 -0.036 0.000 2.318 233 A HA 0.462 4.784 4.320 0.004 0.000 0.324 233 A C -0.776 176.764 177.584 -0.074 0.000 1.170 233 A CA -0.527 51.480 52.037 -0.049 0.000 0.810 233 A CB 1.646 20.612 19.000 -0.057 0.000 1.198 233 A HN 0.652 nan 8.150 nan 0.000 0.484 234 S N 1.079 116.746 115.700 -0.055 0.000 2.608 234 S HA 0.749 5.221 4.470 0.004 0.000 0.291 234 S C 0.764 175.329 174.600 -0.058 0.000 1.146 234 S CA 0.437 58.605 58.200 -0.052 0.000 1.043 234 S CB 1.351 64.546 63.200 -0.009 0.000 1.037 234 S HN 2.138 nan 8.310 nan 0.000 0.520 235 G N 1.475 110.243 108.800 -0.053 0.000 3.859 235 G HA2 -0.034 3.928 3.960 0.004 0.000 0.220 235 G HA3 -0.034 3.928 3.960 0.004 0.000 0.220 235 G C -0.394 174.507 174.900 0.001 0.000 0.892 235 G CA -0.626 44.444 45.100 -0.049 0.000 0.858 235 G HN 0.663 nan 8.290 nan 0.000 0.625 236 Y N 1.352 121.681 120.300 0.048 0.000 2.677 236 Y HA 0.244 4.797 4.550 0.004 0.000 0.335 236 Y C 1.176 177.117 175.900 0.069 0.000 1.162 236 Y CA -0.357 57.776 58.100 0.054 0.000 1.483 236 Y CB 0.660 39.141 38.460 0.035 0.000 1.209 236 Y HN 0.027 nan 8.280 nan 0.000 0.528 237 L N 6.444 127.865 121.223 0.331 0.000 2.505 237 L HA -0.055 4.287 4.340 0.004 0.000 0.279 237 L C 1.063 178.010 176.870 0.128 0.000 1.211 237 L CA 0.499 55.504 54.840 0.274 0.000 1.059 237 L CB -0.106 42.227 42.059 0.456 0.000 1.340 237 L HN 0.805 nan 8.230 nan 0.000 0.447 238 Q N 1.207 121.019 119.800 0.020 0.000 2.342 238 Q HA 0.078 4.420 4.340 0.004 0.000 0.261 238 Q C 0.262 176.144 176.000 -0.198 0.000 0.841 238 Q CA -0.107 55.660 55.803 -0.060 0.000 0.969 238 Q CB 0.462 29.205 28.738 0.008 0.000 1.136 238 Q HN 0.522 nan 8.270 nan 0.000 0.528 239 T N -1.031 113.415 114.554 -0.180 0.000 2.806 239 T HA 0.344 4.696 4.350 0.004 0.000 0.290 239 T C 1.180 175.667 174.700 -0.355 0.000 0.966 239 T CA -0.711 61.259 62.100 -0.216 0.000 1.060 239 T CB 1.384 70.188 68.868 -0.106 0.000 0.927 239 T HN 0.209 nan 8.240 nan 0.000 0.485 240 L N 1.188 122.163 121.223 -0.413 0.000 2.187 240 L HA -0.128 4.214 4.340 0.004 0.000 0.213 240 L C 2.278 179.009 176.870 -0.232 0.000 1.100 240 L CA 1.507 56.099 54.840 -0.412 0.000 0.765 240 L CB -0.485 41.374 42.059 -0.334 0.000 0.904 240 L HN 0.808 nan 8.230 nan 0.000 0.437 241 D N -0.023 120.256 120.400 -0.202 0.000 2.104 241 D HA -0.248 4.394 4.640 0.004 0.000 0.194 241 D C 1.821 178.002 176.300 -0.200 0.000 0.994 241 D CA 1.328 55.200 54.000 -0.214 0.000 0.830 241 D CB -0.016 40.731 40.800 -0.087 0.000 0.959 241 D HN 0.323 nan 8.370 nan 0.000 0.452 242 D N -0.949 119.423 120.400 -0.046 0.000 2.219 242 D HA -0.135 4.507 4.640 0.004 0.000 0.205 242 D C 1.975 178.394 176.300 0.198 0.000 0.970 242 D CA 0.241 54.296 54.000 0.092 0.000 0.851 242 D CB 0.005 40.867 40.800 0.104 0.000 0.943 242 D HN 0.045 nan 8.370 nan 0.000 0.488 243 F N 2.405 122.300 119.950 -0.093 0.000 2.000 243 F HA -0.164 4.365 4.527 0.004 0.000 0.295 243 F C 2.381 178.126 175.800 -0.092 0.000 1.159 243 F CA 0.948 58.901 58.000 -0.078 0.000 1.171 243 F CB -1.350 37.576 39.000 -0.123 0.000 0.971 243 F HN 0.043 nan 8.300 nan 0.000 0.479 244 N N -0.029 118.681 118.700 0.017 0.000 2.144 244 N HA -0.265 4.477 4.740 0.004 0.000 0.195 244 N C 1.024 176.502 175.510 -0.053 0.000 1.006 244 N CA 1.945 54.923 53.050 -0.121 0.000 0.880 244 N CB -1.156 37.147 38.487 -0.307 0.000 1.018 244 N HN 0.568 nan 8.380 nan 0.000 0.443 245 H N -0.060 119.055 119.070 0.074 0.000 2.610 245 H HA 0.309 4.867 4.556 0.004 0.000 0.302 245 H C 0.450 176.002 175.328 0.373 0.000 1.063 245 H CA -0.638 55.491 56.048 0.135 0.000 1.159 245 H CB 0.046 29.773 29.762 -0.058 0.000 1.427 245 H HN 0.136 nan 8.280 nan 0.000 0.553 246 I N 1.064 121.828 120.570 0.324 0.000 2.779 246 I HA 0.008 4.180 4.170 0.004 0.000 0.285 246 I C 0.350 176.569 176.117 0.170 0.000 1.134 246 I CA -0.225 61.194 61.300 0.199 0.000 1.398 246 I CB 1.066 39.107 38.000 0.069 0.000 1.404 246 I HN 0.041 nan 8.210 nan 0.000 0.587 247 V N 6.426 126.357 119.914 0.029 0.000 2.547 247 V HA 0.395 4.517 4.120 0.004 0.000 0.299 247 V C 0.258 176.305 176.094 -0.077 0.000 1.040 247 V CA -0.262 61.959 62.300 -0.132 0.000 0.913 247 V CB 1.652 33.362 31.823 -0.187 0.000 0.992 247 V HN 0.682 nan 8.190 nan 0.000 0.449 248 L N 3.260 124.430 121.223 -0.088 0.000 3.405 248 L HA 0.509 4.851 4.340 0.004 0.000 0.176 248 L C 0.187 177.034 176.870 -0.039 0.000 1.340 248 L CA -0.547 54.267 54.840 -0.043 0.000 0.975 248 L CB -0.322 41.725 42.059 -0.021 0.000 1.509 248 L HN 0.390 nan 8.230 nan 0.000 0.646 249 K N 1.381 121.768 120.400 -0.021 0.000 2.298 249 K HA 0.401 4.724 4.320 0.004 0.000 0.280 249 K C -0.272 176.297 176.600 -0.051 0.000 1.032 249 K CA 0.144 56.422 56.287 -0.015 0.000 0.958 249 K CB 1.217 33.730 32.500 0.023 0.000 0.978 249 K HN 0.328 nan 8.250 nan 0.000 0.472 250 A N 2.500 125.292 122.820 -0.047 0.000 3.113 250 A HA 0.143 4.465 4.320 0.004 0.000 0.307 250 A C -0.122 177.435 177.584 -0.044 0.000 1.025 250 A CA -0.410 51.589 52.037 -0.063 0.000 1.012 250 A CB 0.061 19.027 19.000 -0.056 0.000 1.085 250 A HN 0.499 nan 8.150 nan 0.000 0.519 251 S N 2.980 118.657 115.700 -0.037 0.000 2.780 251 S HA 0.052 4.525 4.470 0.004 0.000 0.339 251 S C 0.826 175.411 174.600 -0.025 0.000 1.183 251 S CA -0.252 57.931 58.200 -0.027 0.000 1.358 251 S CB -0.381 62.805 63.200 -0.025 0.000 1.167 251 S HN 0.701 nan 8.310 nan 0.000 0.556 252 E N 4.934 125.121 120.200 -0.022 0.000 2.502 252 E HA -0.149 4.203 4.350 0.004 0.000 0.261 252 E C 0.041 176.633 176.600 -0.013 0.000 0.974 252 E CA 0.201 56.591 56.400 -0.018 0.000 0.936 252 E CB -0.144 29.547 29.700 -0.015 0.000 0.926 252 E HN 0.779 nan 8.360 nan 0.000 0.459 253 N N 1.428 120.122 118.700 -0.010 0.000 2.727 253 N HA -0.206 4.536 4.740 0.004 0.000 0.249 253 N C 0.038 175.545 175.510 -0.006 0.000 1.048 253 N CA 0.751 53.797 53.050 -0.007 0.000 0.714 253 N CB -1.004 37.478 38.487 -0.007 0.000 0.959 253 N HN 0.832 nan 8.380 nan 0.000 0.544 254 G N -1.299 107.497 108.800 -0.005 0.000 2.562 254 G HA2 0.455 4.417 3.960 0.004 0.000 0.190 254 G HA3 0.455 4.417 3.960 0.004 0.000 0.190 254 G C -0.661 174.241 174.900 0.004 0.000 1.196 254 G CA -0.024 45.074 45.100 -0.002 0.000 0.986 254 G HN 0.420 nan 8.290 nan 0.000 0.512 255 V N -0.121 119.795 119.914 0.004 0.000 2.509 255 V HA 0.722 4.845 4.120 0.004 0.000 0.284 255 V C -2.578 173.511 176.094 -0.007 0.000 1.047 255 V CA -1.830 60.483 62.300 0.020 0.000 0.952 255 V CB 1.170 33.014 31.823 0.035 0.000 0.988 255 V HN 0.526 nan 8.190 nan 0.000 0.469 256 P HA 0.463 nan 4.420 nan 0.000 0.304 256 P C -0.556 176.659 177.300 -0.141 0.000 1.360 256 P CA -0.717 62.296 63.100 -0.146 0.000 0.869 256 P CB 1.654 33.160 31.700 -0.323 0.000 0.988 257 V N 4.731 124.624 119.914 -0.036 0.000 2.540 257 V HA -0.025 4.098 4.120 0.004 0.000 0.297 257 V C 0.354 176.396 176.094 -0.087 0.000 1.024 257 V CA 0.568 62.911 62.300 0.072 0.000 1.105 257 V CB -1.174 30.756 31.823 0.178 0.000 0.938 257 V HN 0.446 nan 8.190 nan 0.000 0.482 258 Y N 2.756 123.094 120.300 0.064 0.000 2.392 258 Y HA 0.290 4.842 4.550 0.004 0.000 0.323 258 Y C 1.064 176.965 175.900 0.003 0.000 1.291 258 Y CA -0.399 57.733 58.100 0.054 0.000 1.345 258 Y CB 1.126 39.647 38.460 0.103 0.000 1.320 258 Y HN 0.452 nan 8.280 nan 0.000 0.518 259 L N 1.521 122.862 121.223 0.197 0.000 2.046 259 L HA -0.243 4.099 4.340 0.004 0.000 0.208 259 L C 2.439 179.327 176.870 0.030 0.000 1.077 259 L CA 1.663 56.539 54.840 0.060 0.000 0.747 259 L CB -0.267 41.812 42.059 0.032 0.000 0.896 259 L HN 0.798 nan 8.230 nan 0.000 0.432 260 R N -0.461 120.081 120.500 0.070 0.000 2.174 260 R HA -0.228 4.114 4.340 0.004 0.000 0.253 260 R C 0.851 177.142 176.300 -0.016 0.000 1.165 260 R CA 2.058 58.170 56.100 0.020 0.000 0.984 260 R CB -0.876 29.441 30.300 0.028 0.000 0.873 260 R HN 0.370 nan 8.270 nan 0.000 0.456 261 D N 0.169 120.551 120.400 -0.031 0.000 2.325 261 D HA 0.072 4.714 4.640 0.004 0.000 0.234 261 D C 0.692 176.783 176.300 -0.348 0.000 1.122 261 D CA 0.414 54.311 54.000 -0.172 0.000 0.850 261 D CB 0.988 41.686 40.800 -0.171 0.000 0.921 261 D HN 0.318 nan 8.370 nan 0.000 0.513 262 V N -2.106 117.683 119.914 -0.209 0.000 3.356 262 V HA 0.515 4.637 4.120 0.004 0.000 0.274 262 V C 0.411 176.434 176.094 -0.117 0.000 1.631 262 V CA -0.207 61.969 62.300 -0.206 0.000 1.025 262 V CB 0.356 32.070 31.823 -0.182 0.000 0.840 262 V HN 0.149 nan 8.190 nan 0.000 0.419 263 A N 0.202 122.973 122.820 -0.081 0.000 2.599 263 A HA 0.914 5.236 4.320 0.004 0.000 0.290 263 A C -1.837 175.731 177.584 -0.028 0.000 1.101 263 A CA -0.647 51.362 52.037 -0.046 0.000 0.674 263 A CB 1.896 20.875 19.000 -0.036 0.000 1.277 263 A HN 0.036 nan 8.150 nan 0.000 0.419 264 K N 0.604 121.000 120.400 -0.007 0.000 2.572 264 K HA 0.508 4.830 4.320 0.004 0.000 0.244 264 K C -1.157 175.455 176.600 0.021 0.000 0.965 264 K CA -0.347 55.942 56.287 0.003 0.000 0.943 264 K CB 1.608 34.112 32.500 0.007 0.000 1.154 264 K HN 0.391 nan 8.250 nan 0.000 0.447 265 V N 5.309 125.238 119.914 0.025 0.000 2.387 265 V HA 0.101 4.223 4.120 0.004 0.000 0.260 265 V C -0.341 175.785 176.094 0.054 0.000 1.054 265 V CA 0.028 62.368 62.300 0.065 0.000 0.967 265 V CB 0.223 32.124 31.823 0.130 0.000 1.036 265 V HN 0.667 nan 8.190 nan 0.000 0.481 266 Q N 5.924 125.765 119.800 0.067 0.000 2.353 266 Q HA 0.616 4.958 4.340 0.004 0.000 0.268 266 Q C -0.850 175.203 176.000 0.087 0.000 1.045 266 Q CA -0.933 54.899 55.803 0.049 0.000 0.811 266 Q CB 2.352 31.115 28.738 0.042 0.000 1.305 266 Q HN 0.541 nan 8.270 nan 0.000 0.447 267 I N 2.126 122.736 120.570 0.066 0.000 2.556 267 I HA 0.394 4.566 4.170 0.004 0.000 0.284 267 I C 0.531 176.710 176.117 0.102 0.000 1.114 267 I CA 0.221 61.600 61.300 0.133 0.000 1.418 267 I CB 0.475 38.534 38.000 0.098 0.000 1.394 267 I HN 0.909 nan 8.210 nan 0.000 0.552 268 G N 7.103 115.974 108.800 0.119 0.000 2.870 268 G HA2 0.653 4.615 3.960 0.004 0.000 0.299 268 G HA3 0.653 4.615 3.960 0.004 0.000 0.299 268 G C -3.071 171.876 174.900 0.080 0.000 1.324 268 G CA -0.794 44.358 45.100 0.086 0.000 0.808 268 G HN 0.390 nan 8.290 nan 0.000 0.535 269 P HA 0.310 nan 4.420 nan 0.000 0.296 269 P C -0.390 176.962 177.300 0.086 0.000 1.306 269 P CA -0.304 62.841 63.100 0.075 0.000 0.818 269 P CB 2.121 33.861 31.700 0.065 0.000 0.969 270 E N 2.256 122.514 120.200 0.097 0.000 2.438 270 E HA 0.030 4.382 4.350 0.004 0.000 0.261 270 E C 0.005 176.661 176.600 0.094 0.000 1.103 270 E CA -0.389 56.072 56.400 0.103 0.000 0.959 270 E CB 0.322 30.093 29.700 0.118 0.000 0.958 270 E HN 0.288 nan 8.360 nan 0.000 0.447 271 M N 2.875 122.533 119.600 0.096 0.000 2.261 271 M HA -0.030 4.452 4.480 0.004 0.000 0.350 271 M C -0.313 176.044 176.300 0.095 0.000 1.343 271 M CA 1.246 56.603 55.300 0.096 0.000 1.003 271 M CB 0.285 32.950 32.600 0.108 0.000 1.848 271 M HN 0.297 nan 8.290 nan 0.000 0.456 272 R N 4.359 124.909 120.500 0.084 0.000 2.410 272 R HA 0.438 4.780 4.340 0.004 0.000 0.288 272 R C 0.545 176.894 176.300 0.082 0.000 1.051 272 R CA -0.407 55.741 56.100 0.079 0.000 1.021 272 R CB 0.729 31.067 30.300 0.063 0.000 1.032 272 R HN 0.756 nan 8.270 nan 0.000 0.481 273 R N 0.388 120.940 120.500 0.086 0.000 2.576 273 R HA 0.239 4.581 4.340 0.004 0.000 0.237 273 R C 0.281 176.633 176.300 0.086 0.000 0.917 273 R CA -0.060 56.096 56.100 0.094 0.000 1.002 273 R CB 0.891 31.261 30.300 0.116 0.000 1.428 273 R HN 0.569 nan 8.270 nan 0.000 0.603 274 G N 2.692 111.542 108.800 0.084 0.000 2.737 274 G HA2 0.593 4.555 3.960 0.004 0.000 0.290 274 G HA3 0.593 4.555 3.960 0.004 0.000 0.290 274 G C -0.695 174.253 174.900 0.080 0.000 1.482 274 G CA -0.642 44.507 45.100 0.082 0.000 1.017 274 G HN 0.074 nan 8.290 nan 0.000 0.529 275 I N 1.189 121.800 120.570 0.069 0.000 2.460 275 I HA 0.774 4.947 4.170 0.004 0.000 0.298 275 I C 0.206 176.374 176.117 0.087 0.000 0.989 275 I CA -1.139 60.201 61.300 0.067 0.000 1.173 275 I CB 2.238 40.263 38.000 0.042 0.000 1.338 275 I HN 0.505 nan 8.210 nan 0.000 0.456 276 A N 4.765 127.645 122.820 0.099 0.000 2.371 276 A HA 0.687 5.010 4.320 0.004 0.000 0.311 276 A C -0.784 176.822 177.584 0.036 0.000 1.068 276 A CA -0.494 51.632 52.037 0.147 0.000 0.744 276 A CB 1.908 21.074 19.000 0.277 0.000 1.239 276 A HN 0.851 nan 8.150 nan 0.000 0.435 277 E N 1.448 121.649 120.200 0.002 0.000 2.339 277 E HA 0.733 5.085 4.350 0.004 0.000 0.262 277 E C -1.811 174.651 176.600 -0.230 0.000 0.934 277 E CA -0.709 55.633 56.400 -0.097 0.000 0.802 277 E CB 1.794 31.458 29.700 -0.059 0.000 1.275 277 E HN 0.598 nan 8.360 nan 0.000 0.427 278 L N 3.785 124.874 121.223 -0.224 0.000 2.487 278 L HA 0.330 4.672 4.340 0.004 0.000 0.261 278 L C -1.403 175.378 176.870 -0.149 0.000 1.223 278 L CA 0.002 54.678 54.840 -0.273 0.000 0.883 278 L CB -0.290 41.543 42.059 -0.376 0.000 1.065 278 L HN 0.875 nan 8.230 nan 0.000 0.488 279 N N 0.839 119.477 118.700 -0.103 0.000 6.832 279 N HA -0.208 4.534 4.740 0.004 0.000 0.417 279 N C 1.085 176.554 175.510 -0.069 0.000 0.938 279 N CA 1.406 54.411 53.050 -0.076 0.000 1.317 279 N CB -0.729 37.715 38.487 -0.072 0.000 0.820 279 N HN 0.619 nan 8.380 nan 0.000 0.305 280 G N -0.454 108.313 108.800 -0.055 0.000 2.545 280 G HA2 -0.330 3.632 3.960 0.004 0.000 0.217 280 G HA3 -0.330 3.632 3.960 0.004 0.000 0.217 280 G C 0.948 175.819 174.900 -0.048 0.000 1.218 280 G CA 2.173 47.244 45.100 -0.047 0.000 0.787 280 G HN 0.757 nan 8.290 nan 0.000 0.571 281 E N 0.500 120.671 120.200 -0.048 0.000 2.026 281 E HA 0.004 4.356 4.350 0.004 0.000 0.206 281 E C 1.923 178.493 176.600 -0.050 0.000 1.028 281 E CA 1.053 57.426 56.400 -0.044 0.000 0.845 281 E CB -0.924 28.750 29.700 -0.043 0.000 0.772 281 E HN 0.354 nan 8.360 nan 0.000 0.462 282 G N 1.279 110.036 108.800 -0.071 0.000 2.365 282 G HA2 0.255 4.217 3.960 0.004 0.000 0.293 282 G HA3 0.255 4.217 3.960 0.004 0.000 0.293 282 G C -0.824 174.024 174.900 -0.086 0.000 1.128 282 G CA -0.479 44.571 45.100 -0.083 0.000 0.971 282 G HN 0.141 nan 8.290 nan 0.000 0.422 283 E N 2.153 122.321 120.200 -0.054 0.000 2.089 283 E HA 0.544 4.896 4.350 0.004 0.000 0.284 283 E C -0.656 175.925 176.600 -0.032 0.000 1.023 283 E CA -0.655 55.721 56.400 -0.040 0.000 0.819 283 E CB 1.615 31.304 29.700 -0.018 0.000 1.076 283 E HN 0.245 nan 8.360 nan 0.000 0.396 284 V N 2.448 122.338 119.914 -0.041 0.000 3.203 284 V HA 0.845 4.967 4.120 0.004 0.000 0.305 284 V C -1.487 174.624 176.094 0.028 0.000 1.361 284 V CA -0.407 61.882 62.300 -0.020 0.000 1.066 284 V CB 2.296 34.085 31.823 -0.056 0.000 1.085 284 V HN 0.921 nan 8.190 nan 0.000 0.456 285 A N 0.712 123.569 122.820 0.061 0.000 2.330 285 A HA 0.988 5.310 4.320 0.004 0.000 0.313 285 A C -0.220 177.462 177.584 0.164 0.000 1.124 285 A CA 0.228 52.338 52.037 0.121 0.000 0.774 285 A CB 1.413 20.477 19.000 0.106 0.000 1.198 285 A HN 1.698 nan 8.150 nan 0.000 0.465 286 G N 0.009 108.976 108.800 0.279 0.000 2.727 286 G HA2 0.780 4.742 3.960 0.004 0.000 0.289 286 G HA3 0.780 4.742 3.960 0.004 0.000 0.289 286 G C -0.379 174.759 174.900 0.397 0.000 1.418 286 G CA -0.055 45.314 45.100 0.447 0.000 0.818 286 G HN 1.377 nan 8.290 nan 0.000 0.486 287 G N -1.936 107.075 108.800 0.353 0.000 2.730 287 G HA2 0.803 4.765 3.960 0.004 0.000 0.289 287 G HA3 0.803 4.765 3.960 0.004 0.000 0.289 287 G C -1.120 173.423 174.900 -0.596 0.000 1.341 287 G CA -0.043 44.958 45.100 -0.164 0.000 0.932 287 G HN 1.598 nan 8.290 nan 0.000 0.481 288 V N -1.118 118.585 119.914 -0.353 0.000 3.019 288 V HA 0.841 4.963 4.120 0.004 0.000 0.317 288 V C -1.018 174.884 176.094 -0.319 0.000 1.094 288 V CA -0.769 61.367 62.300 -0.274 0.000 1.000 288 V CB 2.053 33.851 31.823 -0.041 0.000 1.060 288 V HN 0.621 nan 8.190 nan 0.000 0.443 289 V N 5.520 125.299 119.914 -0.224 0.000 2.350 289 V HA 0.490 4.612 4.120 0.004 0.000 0.285 289 V C -0.082 175.878 176.094 -0.224 0.000 1.014 289 V CA -0.310 61.858 62.300 -0.220 0.000 0.831 289 V CB 1.146 32.869 31.823 -0.167 0.000 1.000 289 V HN 0.733 nan 8.190 nan 0.000 0.433 290 I N 5.278 125.652 120.570 -0.327 0.000 2.365 290 I HA 0.330 4.503 4.170 0.004 0.000 0.291 290 I C -0.226 175.773 176.117 -0.196 0.000 1.004 290 I CA -0.664 60.420 61.300 -0.360 0.000 1.311 290 I CB 1.556 39.236 38.000 -0.534 0.000 1.401 290 I HN 0.402 nan 8.210 nan 0.000 0.491 291 L N 6.837 127.986 121.223 -0.124 0.000 2.313 291 L HA 0.243 4.585 4.340 0.004 0.000 0.282 291 L C 0.748 177.589 176.870 -0.049 0.000 1.092 291 L CA -0.066 54.735 54.840 -0.064 0.000 0.831 291 L CB 0.207 42.252 42.059 -0.025 0.000 1.159 291 L HN 0.456 nan 8.230 nan 0.000 0.442 292 R N 3.894 124.372 120.500 -0.037 0.000 2.998 292 R HA -0.053 4.289 4.340 0.004 0.000 0.274 292 R C 0.193 176.508 176.300 0.024 0.000 1.393 292 R CA 0.273 56.370 56.100 -0.005 0.000 0.983 292 R CB -0.951 29.350 30.300 0.002 0.000 1.111 292 R HN 0.864 nan 8.270 nan 0.000 0.514 293 S N 1.558 117.275 115.700 0.027 0.000 3.776 293 S HA -0.159 4.313 4.470 0.004 0.000 0.453 293 S C 0.674 175.306 174.600 0.053 0.000 1.121 293 S CA 1.313 59.539 58.200 0.044 0.000 0.869 293 S CB -0.054 63.184 63.200 0.062 0.000 0.648 293 S HN 0.939 nan 8.310 nan 0.000 0.469 294 G N 3.413 112.233 108.800 0.032 0.000 2.546 294 G HA2 -0.140 3.822 3.960 0.004 0.000 0.285 294 G HA3 -0.140 3.822 3.960 0.004 0.000 0.285 294 G C -0.471 174.433 174.900 0.007 0.000 1.105 294 G CA 0.343 45.455 45.100 0.021 0.000 1.189 294 G HN 0.913 nan 8.290 nan 0.000 0.534 295 K N -0.200 120.201 120.400 0.001 0.000 2.610 295 K HA 0.246 4.568 4.320 0.004 0.000 0.267 295 K C -0.137 176.458 176.600 -0.009 0.000 0.943 295 K CA -0.865 55.417 56.287 -0.008 0.000 0.862 295 K CB 0.751 33.247 32.500 -0.008 0.000 1.376 295 K HN 0.366 nan 8.250 nan 0.000 0.412 296 N N 2.458 121.148 118.700 -0.018 0.000 2.360 296 N HA -0.087 4.655 4.740 0.004 0.000 0.292 296 N C 0.828 176.336 175.510 -0.003 0.000 1.330 296 N CA 0.840 53.879 53.050 -0.018 0.000 1.009 296 N CB 0.423 38.888 38.487 -0.036 0.000 1.419 296 N HN 0.726 nan 8.380 nan 0.000 0.487 297 A N 3.076 125.901 122.820 0.008 0.000 1.957 297 A HA -0.349 3.974 4.320 0.004 0.000 0.224 297 A C 2.265 179.869 177.584 0.034 0.000 1.287 297 A CA 1.828 53.880 52.037 0.026 0.000 0.682 297 A CB -0.572 18.450 19.000 0.037 0.000 0.833 297 A HN 0.661 nan 8.150 nan 0.000 0.482 298 R N -0.478 120.035 120.500 0.022 0.000 2.082 298 R HA -0.190 4.152 4.340 0.004 0.000 0.234 298 R C 2.203 178.517 176.300 0.022 0.000 1.136 298 R CA 2.254 58.369 56.100 0.025 0.000 0.935 298 R CB -0.555 29.749 30.300 0.007 0.000 0.842 298 R HN 0.647 nan 8.270 nan 0.000 0.430 299 E N 0.238 120.441 120.200 0.005 0.000 2.047 299 E HA -0.095 4.257 4.350 0.004 0.000 0.191 299 E C 2.056 178.661 176.600 0.007 0.000 0.987 299 E CA 1.364 57.765 56.400 0.001 0.000 0.799 299 E CB -0.483 29.209 29.700 -0.013 0.000 0.752 299 E HN 0.098 nan 8.360 nan 0.000 0.449 300 V N 1.384 121.301 119.914 0.006 0.000 2.233 300 V HA -0.350 3.772 4.120 0.004 0.000 0.252 300 V C 2.514 178.616 176.094 0.012 0.000 1.063 300 V CA 2.245 64.546 62.300 0.002 0.000 1.032 300 V CB -0.572 31.251 31.823 -0.001 0.000 0.645 300 V HN 0.369 nan 8.190 nan 0.000 0.446 301 I N -0.158 120.438 120.570 0.044 0.000 2.113 301 I HA -0.356 3.816 4.170 0.004 0.000 0.242 301 I C 2.693 178.847 176.117 0.061 0.000 1.064 301 I CA 1.852 63.204 61.300 0.086 0.000 1.320 301 I CB -1.002 37.086 38.000 0.147 0.000 1.028 301 I HN 0.404 nan 8.210 nan 0.000 0.406 302 A N 1.264 124.112 122.820 0.047 0.000 1.859 302 A HA -0.324 3.998 4.320 0.004 0.000 0.218 302 A C 2.581 180.176 177.584 0.018 0.000 1.242 302 A CA 2.850 54.908 52.037 0.035 0.000 0.661 302 A CB -1.303 17.710 19.000 0.022 0.000 0.842 302 A HN 0.488 nan 8.150 nan 0.000 0.455 303 A N -1.418 121.405 122.820 0.006 0.000 2.054 303 A HA -0.058 4.264 4.320 0.004 0.000 0.223 303 A C 2.242 179.814 177.584 -0.020 0.000 1.169 303 A CA 2.173 54.206 52.037 -0.006 0.000 0.655 303 A CB -0.913 18.081 19.000 -0.010 0.000 0.812 303 A HN 0.486 nan 8.150 nan 0.000 0.462 304 V N -0.628 119.267 119.914 -0.032 0.000 2.256 304 V HA -0.211 3.912 4.120 0.004 0.000 0.240 304 V C 2.407 178.462 176.094 -0.065 0.000 1.036 304 V CA 2.250 64.502 62.300 -0.080 0.000 1.008 304 V CB -0.585 31.143 31.823 -0.157 0.000 0.648 304 V HN 0.576 nan 8.190 nan 0.000 0.453 305 K N 0.071 120.462 120.400 -0.015 0.000 2.015 305 K HA -0.307 4.015 4.320 0.004 0.000 0.216 305 K C 1.960 178.569 176.600 0.015 0.000 1.052 305 K CA 2.328 58.635 56.287 0.034 0.000 0.937 305 K CB -0.522 32.033 32.500 0.093 0.000 0.719 305 K HN 0.509 nan 8.250 nan 0.000 0.446 306 D N 0.703 121.111 120.400 0.013 0.000 2.158 306 D HA -0.218 4.424 4.640 0.004 0.000 0.197 306 D C 1.799 178.097 176.300 -0.002 0.000 0.995 306 D CA 1.611 55.616 54.000 0.009 0.000 0.846 306 D CB 0.037 40.842 40.800 0.009 0.000 0.941 306 D HN 0.044 nan 8.370 nan 0.000 0.456 307 K N -0.557 119.833 120.400 -0.016 0.000 2.167 307 K HA 0.077 4.399 4.320 0.004 0.000 0.203 307 K C 2.269 178.846 176.600 -0.039 0.000 1.052 307 K CA 0.459 56.731 56.287 -0.025 0.000 0.956 307 K CB -0.224 32.255 32.500 -0.035 0.000 0.735 307 K HN 0.192 nan 8.250 nan 0.000 0.451 308 L N 0.473 121.670 121.223 -0.044 0.000 2.027 308 L HA -0.174 4.168 4.340 0.004 0.000 0.206 308 L C 2.313 179.166 176.870 -0.029 0.000 1.074 308 L CA 1.413 56.221 54.840 -0.052 0.000 0.745 308 L CB -0.327 41.706 42.059 -0.043 0.000 0.898 308 L HN 0.273 nan 8.230 nan 0.000 0.433 309 E N -0.081 120.116 120.200 -0.006 0.000 2.038 309 E HA -0.204 4.148 4.350 0.004 0.000 0.195 309 E C 1.947 178.547 176.600 0.000 0.000 1.000 309 E CA 2.189 58.591 56.400 0.004 0.000 0.803 309 E CB -0.399 29.309 29.700 0.014 0.000 0.750 309 E HN 0.341 nan 8.360 nan 0.000 0.448 310 T N 1.237 115.791 114.554 0.000 0.000 2.620 310 T HA -0.227 4.125 4.350 0.004 0.000 0.267 310 T C 1.809 176.511 174.700 0.003 0.000 1.044 310 T CA 1.607 63.709 62.100 0.005 0.000 1.161 310 T CB -0.446 68.425 68.868 0.005 0.000 0.862 310 T HN 0.149 nan 8.240 nan 0.000 0.438 311 L N 0.446 121.658 121.223 -0.018 0.000 2.275 311 L HA -0.042 4.300 4.340 0.004 0.000 0.215 311 L C 2.332 179.185 176.870 -0.028 0.000 1.119 311 L CA 0.927 55.746 54.840 -0.035 0.000 0.790 311 L CB -0.369 41.628 42.059 -0.103 0.000 0.919 311 L HN 0.199 nan 8.230 nan 0.000 0.443 312 K N -0.036 120.350 120.400 -0.023 0.000 2.444 312 K HA -0.188 4.134 4.320 0.004 0.000 0.200 312 K C 2.090 178.688 176.600 -0.003 0.000 1.045 312 K CA 1.483 57.759 56.287 -0.019 0.000 0.934 312 K CB -0.264 32.232 32.500 -0.007 0.000 0.756 312 K HN 0.494 nan 8.250 nan 0.000 0.477 313 S N -0.632 115.076 115.700 0.013 0.000 2.438 313 S HA 0.007 4.479 4.470 0.004 0.000 0.220 313 S C 1.982 176.612 174.600 0.050 0.000 1.045 313 S CA 0.479 58.696 58.200 0.029 0.000 0.940 313 S CB -0.112 63.107 63.200 0.032 0.000 0.863 313 S HN 0.091 nan 8.310 nan 0.000 0.539 314 S N 2.512 118.262 115.700 0.083 0.000 2.520 314 S HA 0.098 4.570 4.470 0.004 0.000 0.249 314 S C 0.907 175.613 174.600 0.177 0.000 0.983 314 S CA 0.616 58.909 58.200 0.155 0.000 0.958 314 S CB -1.073 62.300 63.200 0.289 0.000 0.750 314 S HN 0.503 nan 8.310 nan 0.000 0.527 315 L N 1.345 122.629 121.223 0.102 0.000 2.371 315 L HA 0.142 4.484 4.340 0.004 0.000 0.234 315 L C -1.121 175.776 176.870 0.046 0.000 1.230 315 L CA -1.411 53.466 54.840 0.062 0.000 0.825 315 L CB -0.881 41.173 42.059 -0.009 0.000 1.157 315 L HN 0.027 nan 8.230 nan 0.000 0.565 316 P HA 0.266 nan 4.420 nan 0.000 0.341 316 P C -0.985 176.354 177.300 0.065 0.000 1.349 316 P CA -0.142 62.984 63.100 0.044 0.000 0.830 316 P CB 0.546 32.248 31.700 0.005 0.000 1.986 317 E N -1.452 118.852 120.200 0.172 0.000 2.176 317 E HA 0.522 4.874 4.350 0.004 0.000 0.267 317 E C -0.100 176.606 176.600 0.177 0.000 0.893 317 E CA -0.195 56.288 56.400 0.139 0.000 0.761 317 E CB 0.532 30.297 29.700 0.109 0.000 1.133 317 E HN 0.750 nan 8.360 nan 0.000 0.409 318 G N 2.083 110.935 108.800 0.088 0.000 2.414 318 G HA2 -0.085 3.877 3.960 0.004 0.000 0.256 318 G HA3 -0.085 3.877 3.960 0.004 0.000 0.256 318 G C -0.260 174.663 174.900 0.038 0.000 1.128 318 G CA 0.055 45.198 45.100 0.072 0.000 0.944 318 G HN 1.029 nan 8.290 nan 0.000 0.500 319 V N -2.313 117.599 119.914 -0.004 0.000 2.811 319 V HA 0.553 4.675 4.120 0.004 0.000 0.266 319 V C 0.443 176.507 176.094 -0.050 0.000 0.872 319 V CA -0.386 61.889 62.300 -0.043 0.000 0.992 319 V CB 0.171 31.934 31.823 -0.099 0.000 1.016 319 V HN 0.721 nan 8.190 nan 0.000 0.496 320 E N 3.305 123.485 120.200 -0.034 0.000 2.435 320 E HA 0.339 4.691 4.350 0.004 0.000 0.256 320 E C -0.688 175.876 176.600 -0.059 0.000 1.245 320 E CA -0.492 55.887 56.400 -0.036 0.000 0.989 320 E CB 1.018 30.707 29.700 -0.017 0.000 0.983 320 E HN 0.458 nan 8.360 nan 0.000 0.480 321 I N 1.299 121.837 120.570 -0.053 0.000 2.418 321 I HA 0.171 4.343 4.170 0.004 0.000 0.287 321 I C 0.250 176.375 176.117 0.012 0.000 1.008 321 I CA -1.136 60.119 61.300 -0.075 0.000 1.104 321 I CB 0.859 38.785 38.000 -0.123 0.000 1.264 321 I HN 0.486 nan 8.210 nan 0.000 0.438 322 V N 3.491 123.435 119.914 0.049 0.000 2.834 322 V HA 0.897 5.019 4.120 0.004 0.000 0.313 322 V C 0.200 176.402 176.094 0.179 0.000 1.060 322 V CA -0.333 62.016 62.300 0.081 0.000 0.989 322 V CB 1.770 33.616 31.823 0.039 0.000 1.041 322 V HN 0.884 nan 8.190 nan 0.000 0.459 323 T N 0.098 114.738 114.554 0.144 0.000 2.779 323 T HA 0.531 4.883 4.350 0.004 0.000 0.280 323 T C 0.448 175.201 174.700 0.088 0.000 0.987 323 T CA 0.112 62.287 62.100 0.125 0.000 0.966 323 T CB 1.150 70.005 68.868 -0.021 0.000 0.933 323 T HN 0.859 nan 8.240 nan 0.000 0.442 324 T N 0.788 115.440 114.554 0.164 0.000 2.990 324 T HA 0.162 4.514 4.350 0.004 0.000 0.250 324 T C -0.335 174.429 174.700 0.107 0.000 1.041 324 T CA 0.087 62.316 62.100 0.214 0.000 1.010 324 T CB -0.232 68.977 68.868 0.569 0.000 1.003 324 T HN 0.777 nan 8.240 nan 0.000 0.499 325 Y N 1.924 122.146 120.300 -0.129 0.000 2.517 325 Y HA 0.281 4.833 4.550 0.004 0.000 0.328 325 Y C -1.175 174.562 175.900 -0.272 0.000 1.130 325 Y CA -1.032 56.974 58.100 -0.156 0.000 1.280 325 Y CB 0.713 39.105 38.460 -0.114 0.000 1.101 325 Y HN -0.111 nan 8.280 nan 0.000 0.610 326 D N 3.515 123.810 120.400 -0.175 0.000 2.608 326 D HA 0.034 4.676 4.640 0.004 0.000 0.224 326 D C 1.601 177.912 176.300 0.019 0.000 1.123 326 D CA 0.074 53.968 54.000 -0.176 0.000 1.030 326 D CB 0.376 41.062 40.800 -0.190 0.000 1.093 326 D HN 0.659 nan 8.370 nan 0.000 0.497 327 R N 1.229 121.906 120.500 0.294 0.000 2.204 327 R HA -0.249 4.093 4.340 0.004 0.000 0.253 327 R C 1.842 178.222 176.300 0.134 0.000 1.172 327 R CA 2.078 58.376 56.100 0.331 0.000 0.994 327 R CB -0.604 29.917 30.300 0.369 0.000 0.874 327 R HN 0.269 nan 8.270 nan 0.000 0.462 328 S N -0.279 115.484 115.700 0.105 0.000 2.380 328 S HA -0.357 4.115 4.470 0.004 0.000 0.229 328 S C 1.895 176.516 174.600 0.036 0.000 1.050 328 S CA 1.918 60.161 58.200 0.071 0.000 1.100 328 S CB -0.383 62.863 63.200 0.077 0.000 0.984 328 S HN 0.679 nan 8.310 nan 0.000 0.434 329 Q N 0.093 119.898 119.800 0.009 0.000 2.014 329 Q HA -0.097 4.245 4.340 0.004 0.000 0.207 329 Q C 2.252 178.246 176.000 -0.010 0.000 0.993 329 Q CA 1.783 57.579 55.803 -0.010 0.000 0.850 329 Q CB -0.488 28.227 28.738 -0.038 0.000 0.916 329 Q HN 0.573 nan 8.270 nan 0.000 0.417 330 L N 0.454 121.664 121.223 -0.022 0.000 2.349 330 L HA -0.152 4.190 4.340 0.004 0.000 0.220 330 L C 1.609 178.485 176.870 0.010 0.000 1.130 330 L CA 1.476 56.309 54.840 -0.012 0.000 0.791 330 L CB -0.537 41.511 42.059 -0.018 0.000 0.918 330 L HN 0.288 nan 8.230 nan 0.000 0.444 331 I N -0.488 120.094 120.570 0.020 0.000 2.617 331 I HA -0.129 4.043 4.170 0.004 0.000 0.256 331 I C 1.906 178.030 176.117 0.012 0.000 1.167 331 I CA 0.853 62.165 61.300 0.020 0.000 1.469 331 I CB -0.769 37.247 38.000 0.027 0.000 1.098 331 I HN 0.301 nan 8.210 nan 0.000 0.436 332 D N 0.128 120.534 120.400 0.010 0.000 2.201 332 D HA -0.014 4.629 4.640 0.004 0.000 0.209 332 D C 2.205 178.509 176.300 0.007 0.000 0.961 332 D CA 0.525 54.530 54.000 0.008 0.000 0.861 332 D CB 0.029 40.834 40.800 0.009 0.000 0.997 332 D HN 0.181 nan 8.370 nan 0.000 0.486 333 R N 0.793 121.296 120.500 0.006 0.000 2.170 333 R HA -0.087 4.256 4.340 0.004 0.000 0.242 333 R C 2.034 178.340 176.300 0.010 0.000 1.145 333 R CA 1.345 57.450 56.100 0.007 0.000 0.984 333 R CB -0.032 30.270 30.300 0.003 0.000 0.869 333 R HN 0.082 nan 8.270 nan 0.000 0.455 334 A N 0.234 123.059 122.820 0.009 0.000 1.911 334 A HA -0.025 4.297 4.320 0.004 0.000 0.212 334 A C 1.924 179.516 177.584 0.013 0.000 1.189 334 A CA 0.371 52.415 52.037 0.011 0.000 0.639 334 A CB -0.124 18.882 19.000 0.010 0.000 0.839 334 A HN 0.178 nan 8.150 nan 0.000 0.449 335 I N 0.802 121.378 120.570 0.010 0.000 2.315 335 I HA -0.172 4.000 4.170 0.004 0.000 0.248 335 I C 1.339 177.463 176.117 0.011 0.000 1.117 335 I CA 1.575 62.880 61.300 0.010 0.000 1.404 335 I CB -0.354 37.649 38.000 0.004 0.000 1.071 335 I HN 0.269 nan 8.210 nan 0.000 0.419 336 D N 0.065 120.471 120.400 0.010 0.000 2.117 336 D HA -0.191 4.451 4.640 0.004 0.000 0.198 336 D C 1.920 178.229 176.300 0.014 0.000 0.982 336 D CA 0.901 54.907 54.000 0.010 0.000 0.828 336 D CB -0.646 40.159 40.800 0.008 0.000 0.967 336 D HN 0.342 nan 8.370 nan 0.000 0.464 337 N N 1.137 119.848 118.700 0.017 0.000 2.064 337 N HA -0.183 4.559 4.740 0.004 0.000 0.200 337 N C 1.537 177.063 175.510 0.025 0.000 1.028 337 N CA 1.079 54.143 53.050 0.023 0.000 0.880 337 N CB -0.351 38.151 38.487 0.024 0.000 1.062 337 N HN 0.110 nan 8.380 nan 0.000 0.454 338 L N 0.306 121.544 121.223 0.025 0.000 2.492 338 L HA 0.071 4.414 4.340 0.004 0.000 0.223 338 L C 2.323 179.209 176.870 0.026 0.000 1.132 338 L CA 0.674 55.531 54.840 0.028 0.000 0.850 338 L CB -1.192 40.885 42.059 0.029 0.000 0.966 338 L HN 0.256 nan 8.230 nan 0.000 0.454 339 S N 0.022 115.734 115.700 0.019 0.000 2.377 339 S HA -0.038 4.434 4.470 0.004 0.000 0.223 339 S C 1.963 176.566 174.600 0.006 0.000 1.030 339 S CA 1.160 59.368 58.200 0.013 0.000 0.970 339 S CB 0.096 63.300 63.200 0.007 0.000 0.830 339 S HN 0.456 nan 8.310 nan 0.000 0.473 340 G N 1.989 110.794 108.800 0.008 0.000 2.404 340 G HA2 -0.142 3.820 3.960 0.004 0.000 0.214 340 G HA3 -0.142 3.820 3.960 0.004 0.000 0.214 340 G C 1.482 176.391 174.900 0.015 0.000 1.189 340 G CA 0.782 45.885 45.100 0.005 0.000 0.789 340 G HN 0.453 nan 8.290 nan 0.000 0.533 341 K N 0.600 121.016 120.400 0.026 0.000 2.160 341 K HA 0.003 4.325 4.320 0.004 0.000 0.206 341 K C 2.356 178.981 176.600 0.042 0.000 1.047 341 K CA 0.927 57.236 56.287 0.037 0.000 0.930 341 K CB -0.417 32.108 32.500 0.042 0.000 0.720 341 K HN 0.367 nan 8.250 nan 0.000 0.450 342 L N 1.158 122.403 121.223 0.036 0.000 2.240 342 L HA -0.132 4.210 4.340 0.004 0.000 0.211 342 L C 2.407 179.307 176.870 0.050 0.000 1.106 342 L CA 0.482 55.349 54.840 0.044 0.000 0.793 342 L CB -0.397 41.685 42.059 0.038 0.000 0.927 342 L HN 0.206 nan 8.230 nan 0.000 0.446 343 L N -1.765 119.466 121.223 0.015 0.000 2.313 343 L HA -0.032 4.310 4.340 0.004 0.000 0.214 343 L C 2.243 179.132 176.870 0.032 0.000 1.119 343 L CA 1.478 56.295 54.840 -0.038 0.000 0.809 343 L CB -0.717 41.273 42.059 -0.114 0.000 0.933 343 L HN 0.095 nan 8.230 nan 0.000 0.449 344 E N 0.496 120.730 120.200 0.057 0.000 2.216 344 E HA -0.247 4.106 4.350 0.004 0.000 0.192 344 E C 1.839 178.512 176.600 0.122 0.000 0.988 344 E CA 0.852 57.305 56.400 0.088 0.000 0.834 344 E CB 0.152 29.885 29.700 0.056 0.000 0.772 344 E HN 0.663 nan 8.360 nan 0.000 0.479 345 E N 0.079 120.345 120.200 0.111 0.000 2.204 345 E HA -0.163 4.189 4.350 0.004 0.000 0.195 345 E C 1.724 178.406 176.600 0.137 0.000 0.990 345 E CA 0.866 57.324 56.400 0.098 0.000 0.821 345 E CB -0.576 29.170 29.700 0.077 0.000 0.750 345 E HN 0.338 nan 8.360 nan 0.000 0.477 346 F N 0.034 119.980 119.950 -0.006 0.000 2.163 346 F HA -0.046 4.483 4.527 0.004 0.000 0.297 346 F C 1.786 177.576 175.800 -0.017 0.000 1.094 346 F CA 0.902 58.895 58.000 -0.010 0.000 1.290 346 F CB -0.595 38.401 39.000 -0.006 0.000 1.017 346 F HN 0.032 nan 8.300 nan 0.000 0.483 347 I N -0.041 120.843 120.570 0.522 0.000 2.361 347 I HA -0.221 3.951 4.170 0.004 0.000 0.251 347 I C 2.267 178.400 176.117 0.026 0.000 1.133 347 I CA 0.956 62.416 61.300 0.267 0.000 1.413 347 I CB -0.497 37.644 38.000 0.235 0.000 1.073 347 I HN 0.085 nan 8.210 nan 0.000 0.424 348 V N -0.978 118.949 119.914 0.021 0.000 2.346 348 V HA -0.176 3.946 4.120 0.004 0.000 0.244 348 V C 2.319 178.364 176.094 -0.082 0.000 1.037 348 V CA 1.264 63.548 62.300 -0.027 0.000 1.029 348 V CB -0.100 31.719 31.823 -0.007 0.000 0.663 348 V HN 0.189 nan 8.190 nan 0.000 0.454 349 V N 0.226 120.078 119.914 -0.103 0.000 2.427 349 V HA -0.209 3.913 4.120 0.004 0.000 0.248 349 V C 2.677 178.642 176.094 -0.215 0.000 1.051 349 V CA 1.810 64.024 62.300 -0.144 0.000 1.048 349 V CB -0.804 30.944 31.823 -0.124 0.000 0.666 349 V HN 0.550 nan 8.190 nan 0.000 0.456 350 A N -0.317 122.297 122.820 -0.343 0.000 1.883 350 A HA -0.201 4.121 4.320 0.004 0.000 0.217 350 A C 2.421 179.866 177.584 -0.232 0.000 1.186 350 A CA 2.263 54.068 52.037 -0.388 0.000 0.624 350 A CB -0.802 17.842 19.000 -0.593 0.000 0.822 350 A HN 0.311 nan 8.150 nan 0.000 0.444 351 V N -0.656 119.153 119.914 -0.175 0.000 2.231 351 V HA -0.265 3.857 4.120 0.004 0.000 0.248 351 V C 2.554 178.585 176.094 -0.104 0.000 1.054 351 V CA 2.349 64.574 62.300 -0.125 0.000 1.015 351 V CB -0.620 31.153 31.823 -0.084 0.000 0.638 351 V HN 0.381 nan 8.190 nan 0.000 0.444 352 V N -1.574 118.283 119.914 -0.095 0.000 2.591 352 V HA -0.203 3.919 4.120 0.004 0.000 0.249 352 V C 2.413 178.470 176.094 -0.062 0.000 1.053 352 V CA 1.642 63.901 62.300 -0.067 0.000 1.068 352 V CB -0.121 31.613 31.823 -0.148 0.000 0.689 352 V HN 0.783 nan 8.190 nan 0.000 0.462 353 C N 0.716 119.957 119.300 -0.097 0.000 2.436 353 C HA -0.105 4.357 4.460 0.004 0.000 0.277 353 C C 3.097 178.078 174.990 -0.015 0.000 1.241 353 C CA 1.064 60.052 59.018 -0.050 0.000 1.721 353 C CB -1.120 26.574 27.740 -0.076 0.000 2.043 353 C HN 0.565 nan 8.230 nan 0.000 0.472 354 A N -0.293 122.467 122.820 -0.100 0.000 2.024 354 A HA -0.125 4.197 4.320 0.004 0.000 0.220 354 A C 2.021 179.458 177.584 -0.245 0.000 1.164 354 A CA 1.894 53.824 52.037 -0.177 0.000 0.643 354 A CB -0.643 18.215 19.000 -0.237 0.000 0.806 354 A HN 0.713 nan 8.150 nan 0.000 0.451 355 L N -2.812 118.347 121.223 -0.106 0.000 2.375 355 L HA 0.236 4.578 4.340 0.004 0.000 0.215 355 L C 1.788 178.705 176.870 0.080 0.000 1.108 355 L CA 1.211 55.986 54.840 -0.109 0.000 0.830 355 L CB -0.221 41.860 42.059 0.037 0.000 0.959 355 L HN 0.277 nan 8.230 nan 0.000 0.457 356 F N -0.811 119.120 119.950 -0.032 0.000 2.204 356 F HA 0.149 4.678 4.527 0.003 0.000 0.276 356 F C 1.234 177.102 175.800 0.112 0.000 1.085 356 F CA 0.507 58.538 58.000 0.050 0.000 1.160 356 F CB -0.320 38.698 39.000 0.031 0.000 1.091 356 F HN -0.253 nan 8.300 nan 0.000 0.522 357 L N 0.319 121.705 121.223 0.270 0.000 3.001 357 L HA 0.056 4.398 4.340 0.004 0.000 0.234 357 L C -0.687 176.280 176.870 0.161 0.000 1.321 357 L CA -0.712 54.192 54.840 0.107 0.000 1.138 357 L CB -1.933 40.014 42.059 -0.187 0.000 1.503 357 L HN 0.301 nan 8.230 nan 0.000 0.487 358 W N 2.290 123.599 121.300 0.014 0.000 3.079 358 W HA -0.325 4.337 4.660 0.003 0.000 0.358 358 W C 1.128 177.707 176.519 0.101 0.000 0.775 358 W CA 1.736 59.103 57.345 0.037 0.000 0.459 358 W CB -0.479 28.989 29.460 0.014 0.000 2.857 358 W HN 0.707 nan 8.180 nan 0.000 0.417 359 H N 0.915 120.018 119.070 0.055 0.000 3.075 359 H HA -0.196 4.362 4.556 0.004 0.000 0.287 359 H C 0.469 175.818 175.328 0.034 0.000 1.310 359 H CA 0.749 56.840 56.048 0.071 0.000 1.167 359 H CB -1.141 28.726 29.762 0.176 0.000 1.319 359 H HN 0.514 nan 8.280 nan 0.000 0.408 360 V N -0.023 119.864 119.914 -0.044 0.000 3.393 360 V HA -0.027 4.095 4.120 0.004 0.000 0.296 360 V C 1.218 177.299 176.094 -0.020 0.000 1.204 360 V CA 1.439 63.728 62.300 -0.017 0.000 1.323 360 V CB 0.578 32.363 31.823 -0.065 0.000 1.017 360 V HN 0.545 nan 8.190 nan 0.000 0.511 361 R N 1.297 121.813 120.500 0.027 0.000 2.437 361 R HA 0.109 4.452 4.340 0.004 0.000 0.184 361 R C 2.453 178.765 176.300 0.020 0.000 0.850 361 R CA 0.753 56.874 56.100 0.035 0.000 1.073 361 R CB -0.594 29.749 30.300 0.072 0.000 1.336 361 R HN 0.881 nan 8.270 nan 0.000 0.640 362 S N 1.833 117.546 115.700 0.022 0.000 2.374 362 S HA -0.192 4.280 4.470 0.004 0.000 0.227 362 S C 2.233 176.825 174.600 -0.013 0.000 1.037 362 S CA 1.299 59.503 58.200 0.007 0.000 1.024 362 S CB -0.406 62.796 63.200 0.004 0.000 0.861 362 S HN 0.365 nan 8.310 nan 0.000 0.456 363 A N 1.959 124.749 122.820 -0.051 0.000 1.902 363 A HA 0.124 4.446 4.320 0.004 0.000 0.217 363 A C 2.351 179.921 177.584 -0.023 0.000 1.181 363 A CA 1.411 53.402 52.037 -0.078 0.000 0.623 363 A CB -0.874 18.003 19.000 -0.205 0.000 0.818 363 A HN 0.520 nan 8.150 nan 0.000 0.443 364 L N -0.219 120.996 121.223 -0.014 0.000 2.046 364 L HA -0.178 4.164 4.340 0.004 0.000 0.208 364 L C 2.539 179.443 176.870 0.058 0.000 1.077 364 L CA 1.343 56.213 54.840 0.050 0.000 0.747 364 L CB -0.432 41.652 42.059 0.041 0.000 0.896 364 L HN 0.318 nan 8.230 nan 0.000 0.432 365 V N -0.450 119.488 119.914 0.040 0.000 2.358 365 V HA -0.238 3.884 4.120 0.004 0.000 0.246 365 V C 2.708 178.827 176.094 0.042 0.000 1.047 365 V CA 1.614 63.939 62.300 0.042 0.000 1.035 365 V CB -1.149 30.696 31.823 0.037 0.000 0.658 365 V HN 0.463 nan 8.190 nan 0.000 0.452 366 A N 0.602 123.444 122.820 0.036 0.000 1.933 366 A HA -0.181 4.142 4.320 0.004 0.000 0.218 366 A C 2.291 179.910 177.584 0.058 0.000 1.175 366 A CA 1.981 54.039 52.037 0.036 0.000 0.628 366 A CB -0.572 18.440 19.000 0.021 0.000 0.814 366 A HN 0.581 nan 8.150 nan 0.000 0.444 367 I N -1.210 119.414 120.570 0.091 0.000 2.226 367 I HA -0.180 3.992 4.170 0.004 0.000 0.245 367 I C 2.093 178.260 176.117 0.085 0.000 1.100 367 I CA 1.768 63.142 61.300 0.123 0.000 1.374 367 I CB -0.251 37.879 38.000 0.217 0.000 1.057 367 I HN 0.282 nan 8.210 nan 0.000 0.413 368 I N 2.094 122.709 120.570 0.075 0.000 2.226 368 I HA -0.238 3.935 4.170 0.004 0.000 0.245 368 I C 2.740 178.888 176.117 0.052 0.000 1.100 368 I CA 2.184 63.519 61.300 0.059 0.000 1.374 368 I CB -1.017 37.014 38.000 0.052 0.000 1.057 368 I HN 0.479 nan 8.210 nan 0.000 0.413 369 S N 0.796 116.524 115.700 0.046 0.000 2.382 369 S HA -0.162 4.310 4.470 0.004 0.000 0.228 369 S C 2.170 176.793 174.600 0.037 0.000 1.027 369 S CA 1.170 59.392 58.200 0.037 0.000 0.991 369 S CB -0.954 62.262 63.200 0.027 0.000 0.823 369 S HN 0.505 nan 8.310 nan 0.000 0.469 370 L N 1.541 122.787 121.223 0.038 0.000 2.017 370 L HA -0.002 4.340 4.340 0.004 0.000 0.208 370 L C -0.609 176.279 176.870 0.031 0.000 1.073 370 L CA 1.271 56.128 54.840 0.028 0.000 0.745 370 L CB -1.703 40.373 42.059 0.028 0.000 0.894 370 L HN 0.249 nan 8.230 nan 0.000 0.432 371 P HA -0.164 nan 4.420 nan 0.000 0.218 371 P C 1.833 179.192 177.300 0.099 0.000 1.148 371 P CA 1.326 64.472 63.100 0.077 0.000 0.822 371 P CB 0.071 31.816 31.700 0.075 0.000 0.784 372 L N -1.537 119.737 121.223 0.087 0.000 2.023 372 L HA -0.007 4.335 4.340 0.004 0.000 0.205 372 L C 2.658 179.575 176.870 0.080 0.000 1.073 372 L CA 1.875 56.780 54.840 0.108 0.000 0.745 372 L CB -2.020 40.099 42.059 0.099 0.000 0.900 372 L HN 0.039 nan 8.230 nan 0.000 0.435 373 G N 0.295 109.118 108.800 0.039 0.000 2.499 373 G HA2 -0.233 3.729 3.960 0.004 0.000 0.221 373 G HA3 -0.233 3.729 3.960 0.004 0.000 0.221 373 G C 1.529 176.390 174.900 -0.066 0.000 1.109 373 G CA 0.564 45.665 45.100 0.001 0.000 0.749 373 G HN 0.117 nan 8.290 nan 0.000 0.568 374 L N 0.083 121.248 121.223 -0.097 0.000 2.202 374 L HA 0.193 4.535 4.340 0.004 0.000 0.205 374 L C 2.706 179.262 176.870 -0.522 0.000 1.083 374 L CA 0.411 55.051 54.840 -0.333 0.000 0.790 374 L CB -0.853 41.078 42.059 -0.213 0.000 0.942 374 L HN 0.225 nan 8.230 nan 0.000 0.452 375 C N -0.038 119.291 119.300 0.049 0.000 2.421 375 C HA -0.119 4.343 4.460 0.004 0.000 0.296 375 C C 2.660 177.832 174.990 0.303 0.000 1.470 375 C CA 0.812 60.081 59.018 0.419 0.000 1.779 375 C CB -1.219 26.703 27.740 0.304 0.000 1.715 375 C HN 0.558 nan 8.230 nan 0.000 0.564 376 I N 0.084 120.709 120.570 0.093 0.000 2.810 376 I HA 0.115 4.287 4.170 0.004 0.000 0.262 376 I C 2.413 178.559 176.117 0.048 0.000 1.131 376 I CA 1.233 62.611 61.300 0.131 0.000 1.453 376 I CB -0.587 37.462 38.000 0.083 0.000 1.161 376 I HN 0.095 nan 8.210 nan 0.000 0.444 377 A N 2.082 124.801 122.820 -0.169 0.000 1.948 377 A HA -0.219 4.103 4.320 0.004 0.000 0.220 377 A C 1.785 179.367 177.584 -0.004 0.000 1.177 377 A CA 2.149 54.102 52.037 -0.140 0.000 0.636 377 A CB -1.118 17.695 19.000 -0.311 0.000 0.815 377 A HN 0.717 nan 8.150 nan 0.000 0.449 378 F N -1.994 118.032 119.950 0.125 0.000 2.776 378 F HA 0.369 4.899 4.527 0.004 0.000 0.300 378 F C 1.488 177.379 175.800 0.153 0.000 1.116 378 F CA -1.016 57.052 58.000 0.112 0.000 1.375 378 F CB -0.752 38.261 39.000 0.020 0.000 1.109 378 F HN 0.106 nan 8.300 nan 0.000 0.585 379 I N 0.072 120.904 120.570 0.436 0.000 2.761 379 I HA -0.111 4.061 4.170 0.004 0.000 0.261 379 I C 2.167 178.546 176.117 0.435 0.000 1.198 379 I CA 0.639 62.165 61.300 0.377 0.000 1.482 379 I CB 0.228 38.478 38.000 0.416 0.000 1.100 379 I HN 0.169 nan 8.210 nan 0.000 0.445 380 V N 1.408 121.548 119.914 0.377 0.000 3.406 380 V HA -0.173 3.949 4.120 0.004 0.000 0.263 380 V C 2.136 178.575 176.094 0.575 0.000 1.172 380 V CA 0.986 63.479 62.300 0.322 0.000 1.140 380 V CB 0.066 31.877 31.823 -0.022 0.000 0.784 380 V HN 0.500 nan 8.190 nan 0.000 0.467 381 M N -0.212 119.746 119.600 0.596 0.000 2.319 381 M HA -0.019 4.463 4.480 0.004 0.000 0.265 381 M C 1.931 178.472 176.300 0.401 0.000 1.068 381 M CA 2.524 58.107 55.300 0.471 0.000 1.118 381 M CB -1.647 31.111 32.600 0.264 0.000 1.395 381 M HN 0.474 nan 8.290 nan 0.000 0.435 382 H N -0.354 118.896 119.070 0.300 0.000 2.423 382 H HA -0.047 4.511 4.556 0.004 0.000 0.297 382 H C 1.670 177.141 175.328 0.240 0.000 1.075 382 H CA 1.906 58.094 56.048 0.233 0.000 1.342 382 H CB -0.235 29.668 29.762 0.234 0.000 1.395 382 H HN 0.460 nan 8.280 nan 0.000 0.530 383 F N 1.197 121.301 119.950 0.257 0.000 2.206 383 F HA -0.063 4.466 4.527 0.004 0.000 0.298 383 F C 1.050 176.907 175.800 0.095 0.000 1.090 383 F CA 1.173 59.262 58.000 0.149 0.000 1.323 383 F CB 0.312 39.397 39.000 0.142 0.000 1.028 383 F HN 0.418 nan 8.300 nan 0.000 0.492 384 Q N -0.093 119.954 119.800 0.412 0.000 2.805 384 Q HA 0.369 4.711 4.340 0.004 0.000 0.360 384 Q C 0.120 176.317 176.000 0.328 0.000 0.832 384 Q CA -0.286 55.719 55.803 0.337 0.000 1.020 384 Q CB 0.508 29.506 28.738 0.434 0.000 1.444 384 Q HN 0.217 nan 8.270 nan 0.000 0.391 385 G N 1.178 110.098 108.800 0.200 0.000 3.763 385 G HA2 -0.142 3.820 3.960 0.004 0.000 0.357 385 G HA3 -0.142 3.820 3.960 0.004 0.000 0.357 385 G C -0.607 174.391 174.900 0.163 0.000 1.449 385 G CA 0.430 45.616 45.100 0.143 0.000 1.296 385 G HN 0.523 nan 8.290 nan 0.000 0.565 386 L N 0.542 121.819 121.223 0.091 0.000 2.834 386 L HA 0.525 4.867 4.340 0.004 0.000 0.277 386 L C -0.658 176.212 176.870 0.000 0.000 0.944 386 L CA -1.123 53.734 54.840 0.029 0.000 1.065 386 L CB 1.597 43.679 42.059 0.039 0.000 1.623 386 L HN 0.695 nan 8.230 nan 0.000 0.347 387 N N -0.247 118.436 118.700 -0.028 0.000 2.371 387 N HA 0.533 5.275 4.740 0.004 0.000 0.291 387 N C -0.433 175.061 175.510 -0.027 0.000 1.053 387 N CA -0.033 53.000 53.050 -0.028 0.000 0.870 387 N CB 2.276 40.737 38.487 -0.043 0.000 1.503 387 N HN 0.649 nan 8.380 nan 0.000 0.485 388 A N 2.400 125.214 122.820 -0.010 0.000 2.265 388 A HA 0.023 4.345 4.320 0.004 0.000 0.213 388 A C 0.602 178.178 177.584 -0.012 0.000 1.255 388 A CA -0.333 51.706 52.037 0.002 0.000 0.862 388 A CB -1.144 17.864 19.000 0.013 0.000 0.852 388 A HN 0.758 nan 8.150 nan 0.000 0.484 389 N N 0.322 119.005 118.700 -0.028 0.000 2.237 389 N HA 0.004 4.746 4.740 0.004 0.000 0.222 389 N C 0.866 176.350 175.510 -0.042 0.000 1.311 389 N CA 0.388 53.418 53.050 -0.034 0.000 0.880 389 N CB 0.031 38.491 38.487 -0.046 0.000 1.106 389 N HN 0.378 nan 8.380 nan 0.000 0.435 390 I N -2.775 117.771 120.570 -0.041 0.000 2.361 390 I HA -0.212 3.960 4.170 0.004 0.000 0.251 390 I C 1.940 178.014 176.117 -0.071 0.000 1.133 390 I CA 1.206 62.482 61.300 -0.039 0.000 1.413 390 I CB -0.415 37.570 38.000 -0.026 0.000 1.073 390 I HN 0.280 nan 8.210 nan 0.000 0.424 391 M N 0.892 120.420 119.600 -0.120 0.000 2.163 391 M HA -0.257 4.225 4.480 0.004 0.000 0.258 391 M C 2.611 178.822 176.300 -0.148 0.000 1.071 391 M CA 2.222 57.399 55.300 -0.205 0.000 1.093 391 M CB -1.893 30.536 32.600 -0.286 0.000 1.285 391 M HN 0.527 nan 8.290 nan 0.000 0.420 392 S N 0.516 116.142 115.700 -0.124 0.000 2.368 392 S HA -0.113 4.359 4.470 0.004 0.000 0.226 392 S C 1.836 176.400 174.600 -0.061 0.000 1.044 392 S CA 1.158 59.300 58.200 -0.098 0.000 1.062 392 S CB -0.295 62.855 63.200 -0.083 0.000 0.931 392 S HN 0.451 nan 8.310 nan 0.000 0.440 393 L N 0.765 121.965 121.223 -0.038 0.000 2.633 393 L HA 0.008 4.350 4.340 0.004 0.000 0.235 393 L C 2.351 179.216 176.870 -0.007 0.000 1.163 393 L CA 0.841 55.674 54.840 -0.011 0.000 0.859 393 L CB -1.104 40.958 42.059 0.004 0.000 0.973 393 L HN 0.422 nan 8.230 nan 0.000 0.451 394 G N -0.037 108.752 108.800 -0.019 0.000 2.494 394 G HA2 -0.061 3.902 3.960 0.004 0.000 0.216 394 G HA3 -0.061 3.902 3.960 0.004 0.000 0.216 394 G C 1.559 176.477 174.900 0.031 0.000 1.140 394 G CA 0.570 45.677 45.100 0.012 0.000 0.801 394 G HN 0.438 nan 8.290 nan 0.000 0.536 395 G N 1.545 110.343 108.800 -0.003 0.000 2.422 395 G HA2 -0.127 3.835 3.960 0.004 0.000 0.218 395 G HA3 -0.127 3.835 3.960 0.004 0.000 0.218 395 G C 1.792 176.667 174.900 -0.041 0.000 1.140 395 G CA 0.930 46.013 45.100 -0.029 0.000 0.775 395 G HN 0.629 nan 8.290 nan 0.000 0.545 396 I N -1.170 119.381 120.570 -0.032 0.000 2.546 396 I HA 0.225 4.397 4.170 0.004 0.000 0.255 396 I C 2.567 178.679 176.117 -0.008 0.000 1.163 396 I CA 1.260 62.540 61.300 -0.033 0.000 1.457 396 I CB -0.047 37.940 38.000 -0.023 0.000 1.092 396 I HN 0.105 nan 8.210 nan 0.000 0.434 397 A N 2.344 125.171 122.820 0.013 0.000 1.855 397 A HA -0.066 4.256 4.320 0.004 0.000 0.213 397 A C 2.284 179.888 177.584 0.033 0.000 1.195 397 A CA 1.524 53.578 52.037 0.029 0.000 0.610 397 A CB -0.890 18.136 19.000 0.043 0.000 0.837 397 A HN 0.654 nan 8.150 nan 0.000 0.444 398 I N -0.629 119.968 120.570 0.045 0.000 2.264 398 I HA -0.159 4.014 4.170 0.004 0.000 0.248 398 I C 2.278 178.404 176.117 0.014 0.000 1.111 398 I CA 1.756 63.086 61.300 0.051 0.000 1.382 398 I CB -0.857 37.197 38.000 0.090 0.000 1.060 398 I HN 0.223 nan 8.210 nan 0.000 0.418 399 A N 1.022 123.834 122.820 -0.013 0.000 1.915 399 A HA -0.224 4.099 4.320 0.004 0.000 0.220 399 A C 2.373 179.948 177.584 -0.016 0.000 1.198 399 A CA 3.176 55.193 52.037 -0.034 0.000 0.647 399 A CB -1.633 17.337 19.000 -0.049 0.000 0.825 399 A HN 0.463 nan 8.150 nan 0.000 0.456 400 V N -0.138 119.775 119.914 -0.000 0.000 2.233 400 V HA -0.239 3.883 4.120 0.004 0.000 0.247 400 V C 2.861 178.962 176.094 0.012 0.000 1.050 400 V CA 2.203 64.509 62.300 0.010 0.000 1.010 400 V CB -1.867 29.970 31.823 0.023 0.000 0.637 400 V HN 0.625 nan 8.190 nan 0.000 0.444 401 G N -0.271 108.541 108.800 0.020 0.000 2.476 401 G HA2 -0.251 3.711 3.960 0.004 0.000 0.218 401 G HA3 -0.251 3.711 3.960 0.004 0.000 0.218 401 G C 1.653 176.562 174.900 0.014 0.000 1.164 401 G CA 1.201 46.316 45.100 0.025 0.000 0.768 401 G HN 0.696 nan 8.290 nan 0.000 0.560 402 A N -0.379 122.441 122.820 0.000 0.000 2.119 402 A HA 0.307 4.629 4.320 0.004 0.000 0.217 402 A C 2.207 179.776 177.584 -0.026 0.000 1.153 402 A CA 1.509 53.533 52.037 -0.022 0.000 0.692 402 A CB -0.202 18.776 19.000 -0.036 0.000 0.799 402 A HN 0.434 nan 8.150 nan 0.000 0.458 403 M N -0.905 118.686 119.600 -0.014 0.000 2.501 403 M HA 0.032 4.515 4.480 0.004 0.000 0.261 403 M C 1.484 177.783 176.300 -0.003 0.000 1.129 403 M CA 0.620 55.913 55.300 -0.012 0.000 1.126 403 M CB 0.148 32.742 32.600 -0.010 0.000 1.359 403 M HN 0.167 nan 8.290 nan 0.000 0.471 404 V N 0.705 120.621 119.914 0.003 0.000 2.261 404 V HA -0.304 3.818 4.120 0.004 0.000 0.246 404 V C 1.919 178.020 176.094 0.012 0.000 1.047 404 V CA 2.380 64.683 62.300 0.005 0.000 1.015 404 V CB -1.048 30.780 31.823 0.009 0.000 0.642 404 V HN 0.564 nan 8.190 nan 0.000 0.446 405 D N 0.782 121.200 120.400 0.029 0.000 2.106 405 D HA -0.225 4.417 4.640 0.004 0.000 0.191 405 D C 2.076 178.395 176.300 0.033 0.000 0.997 405 D CA 2.075 56.111 54.000 0.060 0.000 0.834 405 D CB -0.286 40.537 40.800 0.040 0.000 0.956 405 D HN 0.358 nan 8.370 nan 0.000 0.448 406 A N 0.531 123.355 122.820 0.006 0.000 1.883 406 A HA -0.011 4.312 4.320 0.004 0.000 0.217 406 A C 2.479 180.062 177.584 -0.001 0.000 1.186 406 A CA 2.725 54.764 52.037 0.002 0.000 0.624 406 A CB -1.356 17.643 19.000 -0.003 0.000 0.822 406 A HN 0.411 nan 8.150 nan 0.000 0.444 407 A N -0.177 122.641 122.820 -0.004 0.000 1.978 407 A HA -0.087 4.235 4.320 0.004 0.000 0.220 407 A C 1.984 179.555 177.584 -0.021 0.000 1.170 407 A CA 1.613 53.643 52.037 -0.011 0.000 0.636 407 A CB -0.516 18.479 19.000 -0.009 0.000 0.810 407 A HN 0.445 nan 8.150 nan 0.000 0.448 408 I N -0.372 120.191 120.570 -0.012 0.000 2.226 408 I HA -0.172 4.000 4.170 0.004 0.000 0.245 408 I C 2.493 178.591 176.117 -0.030 0.000 1.100 408 I CA 1.121 62.410 61.300 -0.019 0.000 1.374 408 I CB -1.370 36.633 38.000 0.005 0.000 1.057 408 I HN 0.148 nan 8.210 nan 0.000 0.413 409 V N 0.318 120.230 119.914 -0.003 0.000 2.343 409 V HA -0.272 3.850 4.120 0.004 0.000 0.247 409 V C 2.618 178.678 176.094 -0.056 0.000 1.051 409 V CA 1.449 63.746 62.300 -0.004 0.000 1.036 409 V CB -0.423 31.414 31.823 0.024 0.000 0.654 409 V HN 0.359 nan 8.190 nan 0.000 0.451 410 M N -0.777 118.787 119.600 -0.060 0.000 2.159 410 M HA -0.128 4.354 4.480 0.004 0.000 0.263 410 M C 2.130 178.338 176.300 -0.153 0.000 1.063 410 M CA 1.859 57.109 55.300 -0.083 0.000 1.110 410 M CB -0.485 32.082 32.600 -0.054 0.000 1.374 410 M HN 0.242 nan 8.290 nan 0.000 0.411 411 I N 0.060 120.530 120.570 -0.167 0.000 2.286 411 I HA -0.245 3.927 4.170 0.004 0.000 0.248 411 I C 2.232 177.864 176.117 -0.808 0.000 1.115 411 I CA 1.489 62.614 61.300 -0.291 0.000 1.392 411 I CB -1.327 36.599 38.000 -0.124 0.000 1.065 411 I HN 0.312 nan 8.210 nan 0.000 0.418 412 E N 1.164 121.072 120.200 -0.487 0.000 2.127 412 E HA -0.117 4.235 4.350 0.004 0.000 0.191 412 E C 1.882 178.326 176.600 -0.260 0.000 0.964 412 E CA 0.865 56.990 56.400 -0.459 0.000 0.832 412 E CB -0.424 29.220 29.700 -0.093 0.000 0.790 412 E HN 0.363 nan 8.360 nan 0.000 0.465 413 N N -0.194 118.420 118.700 -0.144 0.000 2.459 413 N HA -0.094 4.648 4.740 0.004 0.000 0.181 413 N C 1.200 176.655 175.510 -0.091 0.000 1.046 413 N CA 0.914 53.931 53.050 -0.056 0.000 0.904 413 N CB 0.032 38.510 38.487 -0.015 0.000 0.964 413 N HN 0.237 nan 8.380 nan 0.000 0.444 414 A N -0.527 122.196 122.820 -0.162 0.000 2.208 414 A HA 0.020 4.342 4.320 0.004 0.000 0.209 414 A C 1.363 178.948 177.584 0.002 0.000 1.161 414 A CA 0.337 52.298 52.037 -0.126 0.000 0.782 414 A CB -0.457 18.454 19.000 -0.148 0.000 0.816 414 A HN 0.475 nan 8.150 nan 0.000 0.477 415 H N -0.708 118.345 119.070 -0.028 0.000 2.384 415 H HA -0.010 4.548 4.556 0.003 0.000 0.300 415 H C 2.150 177.479 175.328 0.001 0.000 1.057 415 H CA 1.163 57.209 56.048 -0.004 0.000 1.370 415 H CB 0.202 29.980 29.762 0.026 0.000 1.417 415 H HN 0.488 nan 8.280 nan 0.000 0.527 416 K N 1.582 122.052 120.400 0.117 0.000 1.973 416 K HA -0.140 4.182 4.320 0.004 0.000 0.212 416 K C 1.587 178.210 176.600 0.038 0.000 1.047 416 K CA 1.319 57.648 56.287 0.071 0.000 0.937 416 K CB 0.096 32.626 32.500 0.050 0.000 0.721 416 K HN 0.004 nan 8.250 nan 0.000 0.440 417 R N 0.654 121.124 120.500 -0.051 0.000 2.404 417 R HA 0.115 4.457 4.340 0.004 0.000 0.236 417 R C 1.188 177.364 176.300 -0.206 0.000 1.044 417 R CA 0.024 56.000 56.100 -0.205 0.000 1.133 417 R CB 0.124 30.212 30.300 -0.354 0.000 1.142 417 R HN 0.296 nan 8.270 nan 0.000 0.512 418 L N -0.724 120.474 121.223 -0.041 0.000 2.609 418 L HA 0.163 4.505 4.340 0.004 0.000 0.230 418 L C 1.256 178.185 176.870 0.098 0.000 1.064 418 L CA 1.048 55.886 54.840 -0.003 0.000 0.873 418 L CB 0.366 42.419 42.059 -0.010 0.000 1.139 418 L HN 0.111 nan 8.230 nan 0.000 0.490 419 E N 0.368 120.637 120.200 0.115 0.000 2.318 419 E HA -0.101 4.252 4.350 0.004 0.000 0.193 419 E C 1.707 178.425 176.600 0.198 0.000 0.998 419 E CA 0.839 57.317 56.400 0.129 0.000 0.859 419 E CB 0.206 29.958 29.700 0.087 0.000 0.812 419 E HN 0.463 nan 8.360 nan 0.000 0.492 420 E N -0.521 119.852 120.200 0.287 0.000 2.216 420 E HA -0.110 4.242 4.350 0.004 0.000 0.192 420 E C 1.270 178.213 176.600 0.571 0.000 0.988 420 E CA 0.529 57.161 56.400 0.386 0.000 0.834 420 E CB -0.176 29.854 29.700 0.551 0.000 0.772 420 E HN 0.488 nan 8.360 nan 0.000 0.479 421 W N 0.753 122.096 121.300 0.072 0.000 3.290 421 W HA 0.091 4.752 4.660 0.003 0.000 0.287 421 W C 1.472 178.037 176.519 0.077 0.000 1.288 421 W CA -0.131 57.265 57.345 0.085 0.000 1.725 421 W CB 0.538 30.026 29.460 0.047 0.000 1.103 421 W HN 0.120 nan 8.180 nan 0.000 0.670 422 Q N -0.322 119.645 119.800 0.279 0.000 2.219 422 Q HA -0.071 4.271 4.340 0.004 0.000 0.209 422 Q C 1.939 178.025 176.000 0.143 0.000 0.854 422 Q CA 0.545 56.445 55.803 0.161 0.000 0.960 422 Q CB -0.089 28.721 28.738 0.121 0.000 1.116 422 Q HN 0.238 nan 8.270 nan 0.000 0.500 423 H N -1.664 117.426 119.070 0.034 0.000 2.729 423 H HA 0.147 4.705 4.556 0.003 0.000 0.263 423 H C 0.500 175.797 175.328 -0.052 0.000 0.961 423 H CA 0.057 56.101 56.048 -0.006 0.000 1.217 423 H CB 0.373 30.137 29.762 0.003 0.000 1.447 423 H HN 0.155 nan 8.280 nan 0.000 0.496 434 T N -0.853 113.807 114.554 0.176 0.000 3.081 434 T HA 0.077 4.429 4.350 0.004 0.000 0.255 434 T C 0.819 175.631 174.700 0.188 0.000 1.113 434 T CA 0.919 63.123 62.100 0.174 0.000 1.082 434 T CB -0.154 68.800 68.868 0.145 0.000 0.939 434 T HN 0.461 nan 8.240 nan 0.000 0.506 435 R N -0.150 120.473 120.500 0.205 0.000 2.152 435 R HA 0.072 4.414 4.340 0.004 0.000 0.232 435 R C 2.035 178.380 176.300 0.075 0.000 1.117 435 R CA 1.097 57.284 56.100 0.145 0.000 0.981 435 R CB -0.463 29.920 30.300 0.139 0.000 0.870 435 R HN 0.505 nan 8.270 nan 0.000 0.451 436 W N 0.983 122.293 121.300 0.017 0.000 2.481 436 W HA 0.013 4.675 4.660 0.003 0.000 0.293 436 W C 1.893 178.396 176.519 -0.027 0.000 1.201 436 W CA 0.971 58.312 57.345 -0.007 0.000 1.328 436 W CB -0.145 29.319 29.460 0.007 0.000 1.112 436 W HN 0.258 nan 8.180 nan 0.000 0.546 437 Q N 0.761 120.693 119.800 0.220 0.000 2.226 437 Q HA -0.165 4.177 4.340 0.004 0.000 0.204 437 Q C 1.910 177.925 176.000 0.026 0.000 0.975 437 Q CA 1.970 57.845 55.803 0.120 0.000 0.866 437 Q CB -0.058 28.747 28.738 0.112 0.000 0.915 437 Q HN 0.193 nan 8.270 nan 0.000 0.440 438 V N -2.275 117.622 119.914 -0.029 0.000 2.951 438 V HA -0.093 4.029 4.120 0.004 0.000 0.255 438 V C 1.904 177.823 176.094 -0.292 0.000 1.088 438 V CA 0.563 62.760 62.300 -0.173 0.000 1.109 438 V CB -0.400 31.254 31.823 -0.283 0.000 0.724 438 V HN 0.217 nan 8.190 nan 0.000 0.471 439 I N 2.542 122.964 120.570 -0.247 0.000 2.500 439 I HA -0.099 4.073 4.170 0.004 0.000 0.252 439 I C 2.882 178.889 176.117 -0.182 0.000 1.142 439 I CA 1.978 63.113 61.300 -0.275 0.000 1.451 439 I CB -1.619 36.173 38.000 -0.346 0.000 1.093 439 I HN 0.599 nan 8.210 nan 0.000 0.430 440 T N -0.189 114.302 114.554 -0.105 0.000 2.867 440 T HA -0.198 4.154 4.350 0.004 0.000 0.268 440 T C 1.686 176.342 174.700 -0.073 0.000 1.057 440 T CA 1.476 63.541 62.100 -0.059 0.000 1.136 440 T CB -0.424 68.445 68.868 0.002 0.000 0.874 440 T HN 0.465 nan 8.240 nan 0.000 0.466 441 D N 1.995 122.344 120.400 -0.085 0.000 2.178 441 D HA -0.053 4.589 4.640 0.004 0.000 0.202 441 D C 2.271 178.513 176.300 -0.096 0.000 0.974 441 D CA 1.342 55.296 54.000 -0.077 0.000 0.841 441 D CB -0.589 40.170 40.800 -0.068 0.000 0.953 441 D HN 0.564 nan 8.370 nan 0.000 0.478 442 A N 0.821 123.557 122.820 -0.140 0.000 1.883 442 A HA -0.132 4.190 4.320 0.004 0.000 0.217 442 A C 2.288 179.820 177.584 -0.088 0.000 1.186 442 A CA 1.882 53.841 52.037 -0.130 0.000 0.624 442 A CB -0.743 18.153 19.000 -0.173 0.000 0.822 442 A HN 0.313 nan 8.150 nan 0.000 0.444 443 S N -0.531 115.116 115.700 -0.087 0.000 2.803 443 S HA 0.179 4.651 4.470 0.004 0.000 0.226 443 S C 1.058 175.620 174.600 -0.064 0.000 0.962 443 S CA 0.716 58.875 58.200 -0.068 0.000 0.968 443 S CB 0.018 63.178 63.200 -0.067 0.000 0.786 443 S HN 0.341 nan 8.310 nan 0.000 0.527 444 V N 0.410 120.282 119.914 -0.071 0.000 3.151 444 V HA 0.089 4.211 4.120 0.004 0.000 0.241 444 V C 2.094 178.129 176.094 -0.097 0.000 1.173 444 V CA 0.358 62.615 62.300 -0.072 0.000 1.154 444 V CB -0.160 31.626 31.823 -0.061 0.000 0.898 444 V HN 0.355 nan 8.190 nan 0.000 0.473 445 E N 0.239 120.374 120.200 -0.109 0.000 2.072 445 E HA -0.174 4.179 4.350 0.004 0.000 0.191 445 E C 2.188 178.672 176.600 -0.192 0.000 0.985 445 E CA 1.694 57.979 56.400 -0.191 0.000 0.801 445 E CB 0.066 29.696 29.700 -0.116 0.000 0.750 445 E HN 0.439 nan 8.360 nan 0.000 0.452 446 V N -0.006 119.840 119.914 -0.113 0.000 2.672 446 V HA 0.083 4.205 4.120 0.004 0.000 0.242 446 V C 1.581 177.640 176.094 -0.058 0.000 1.059 446 V CA 1.583 63.816 62.300 -0.111 0.000 1.081 446 V CB -0.291 31.477 31.823 -0.092 0.000 0.752 446 V HN 0.374 nan 8.190 nan 0.000 0.472 447 G N 0.961 109.734 108.800 -0.046 0.000 3.152 447 G HA2 -0.375 3.587 3.960 0.004 0.000 0.407 447 G HA3 -0.375 3.587 3.960 0.004 0.000 0.407 447 G C -0.298 174.615 174.900 0.022 0.000 0.933 447 G CA 1.376 46.464 45.100 -0.020 0.000 0.773 447 G HN 0.454 nan 8.290 nan 0.000 1.074 448 P HA -0.253 nan 4.420 nan 0.000 0.224 448 P C 1.962 179.308 177.300 0.077 0.000 1.154 448 P CA 2.874 66.065 63.100 0.151 0.000 0.868 448 P CB -0.473 31.285 31.700 0.097 0.000 0.782 449 A N -2.111 120.727 122.820 0.031 0.000 2.194 449 A HA -0.171 4.151 4.320 0.004 0.000 0.220 449 A C 2.101 179.670 177.584 -0.025 0.000 1.162 449 A CA 1.250 53.289 52.037 0.004 0.000 0.674 449 A CB -1.241 17.789 19.000 0.050 0.000 0.789 449 A HN 0.222 nan 8.150 nan 0.000 0.470 450 L N -2.585 118.642 121.223 0.007 0.000 2.276 450 L HA 0.101 4.443 4.340 0.004 0.000 0.194 450 L C 2.311 179.180 176.870 -0.002 0.000 1.099 450 L CA 1.037 55.876 54.840 -0.001 0.000 0.800 450 L CB -0.532 41.543 42.059 0.027 0.000 0.994 450 L HN 0.524 nan 8.230 nan 0.000 0.475 451 F N 1.383 121.289 119.950 -0.073 0.000 2.015 451 F HA -0.341 4.188 4.527 0.004 0.000 0.297 451 F C 2.267 178.014 175.800 -0.088 0.000 1.141 451 F CA 2.180 60.134 58.000 -0.076 0.000 1.192 451 F CB -0.491 38.465 39.000 -0.074 0.000 0.957 451 F HN -0.029 nan 8.300 nan 0.000 0.491 452 I N 1.146 121.273 120.570 -0.738 0.000 2.068 452 I HA -0.427 3.745 4.170 0.004 0.000 0.238 452 I C 2.870 178.694 176.117 -0.489 0.000 1.046 452 I CA 2.108 62.927 61.300 -0.802 0.000 1.306 452 I CB -1.208 36.569 38.000 -0.373 0.000 1.023 452 I HN 0.505 nan 8.210 nan 0.000 0.399 453 S N 1.649 117.169 115.700 -0.299 0.000 2.380 453 S HA -0.228 4.244 4.470 0.004 0.000 0.229 453 S C 1.997 176.462 174.600 -0.226 0.000 1.043 453 S CA 1.439 59.501 58.200 -0.230 0.000 1.038 453 S CB -1.120 61.968 63.200 -0.186 0.000 0.872 453 S HN 0.424 nan 8.310 nan 0.000 0.456 454 L N 0.892 121.976 121.223 -0.232 0.000 1.989 454 L HA -0.112 4.230 4.340 0.004 0.000 0.211 454 L C 2.827 179.576 176.870 -0.201 0.000 1.071 454 L CA 1.701 56.429 54.840 -0.188 0.000 0.749 454 L CB -0.899 41.071 42.059 -0.149 0.000 0.890 454 L HN 0.340 nan 8.230 nan 0.000 0.431 455 L N -0.513 120.529 121.223 -0.302 0.000 2.021 455 L HA -0.310 4.032 4.340 0.004 0.000 0.215 455 L C 2.688 179.448 176.870 -0.182 0.000 1.074 455 L CA 1.281 55.961 54.840 -0.266 0.000 0.760 455 L CB -0.619 41.199 42.059 -0.402 0.000 0.889 455 L HN 0.277 nan 8.230 nan 0.000 0.433 456 I N 0.311 120.762 120.570 -0.199 0.000 2.118 456 I HA -0.314 3.858 4.170 0.004 0.000 0.241 456 I C 2.547 178.620 176.117 -0.074 0.000 1.070 456 I CA 1.893 63.112 61.300 -0.135 0.000 1.327 456 I CB -0.885 37.025 38.000 -0.149 0.000 1.034 456 I HN 0.231 nan 8.210 nan 0.000 0.405 457 I N -0.219 120.305 120.570 -0.076 0.000 2.454 457 I HA -0.269 3.903 4.170 0.004 0.000 0.254 457 I C 2.552 178.700 176.117 0.052 0.000 1.156 457 I CA 1.431 62.722 61.300 -0.015 0.000 1.433 457 I CB -0.636 37.339 38.000 -0.042 0.000 1.082 457 I HN 0.273 nan 8.210 nan 0.000 0.432 458 T N 0.699 115.256 114.554 0.005 0.000 2.852 458 T HA 0.046 4.399 4.350 0.004 0.000 0.256 458 T C 1.833 176.603 174.700 0.116 0.000 1.038 458 T CA 0.915 63.034 62.100 0.030 0.000 1.141 458 T CB -0.028 68.815 68.868 -0.042 0.000 0.869 458 T HN 0.202 nan 8.240 nan 0.000 0.439 459 L N 1.823 123.078 121.223 0.053 0.000 2.217 459 L HA 0.021 4.363 4.340 0.004 0.000 0.211 459 L C 2.838 179.752 176.870 0.073 0.000 1.107 459 L CA 1.427 56.301 54.840 0.055 0.000 0.783 459 L CB -0.780 41.279 42.059 0.000 0.000 0.919 459 L HN 0.436 nan 8.230 nan 0.000 0.442 460 S N -0.674 115.073 115.700 0.077 0.000 2.507 460 S HA -0.193 4.279 4.470 0.004 0.000 0.235 460 S C 1.684 176.363 174.600 0.131 0.000 0.988 460 S CA 0.696 58.940 58.200 0.073 0.000 0.944 460 S CB -0.477 62.753 63.200 0.051 0.000 0.762 460 S HN 0.518 nan 8.310 nan 0.000 0.526 461 F N 0.835 120.811 119.950 0.042 0.000 2.559 461 F HA 0.419 4.949 4.527 0.004 0.000 0.286 461 F C 1.790 177.678 175.800 0.148 0.000 1.108 461 F CA -0.068 57.995 58.000 0.105 0.000 1.436 461 F CB 0.177 39.258 39.000 0.135 0.000 1.130 461 F HN 0.088 nan 8.300 nan 0.000 0.584 462 I N 2.444 123.268 120.570 0.423 0.000 2.361 462 I HA -0.145 4.027 4.170 0.004 0.000 0.251 462 I C -0.699 175.134 176.117 -0.474 0.000 1.133 462 I CA 1.020 62.342 61.300 0.038 0.000 1.413 462 I CB -1.742 36.227 38.000 -0.051 0.000 1.073 462 I HN 0.136 nan 8.210 nan 0.000 0.424 463 P HA -0.099 nan 4.420 nan 0.000 0.221 463 P C 1.565 178.763 177.300 -0.169 0.000 1.150 463 P CA 1.340 64.317 63.100 -0.206 0.000 0.800 463 P CB -0.055 31.583 31.700 -0.104 0.000 0.787 464 I N -0.861 119.632 120.570 -0.129 0.000 3.251 464 I HA -0.072 4.100 4.170 0.004 0.000 0.277 464 I C 2.045 178.148 176.117 -0.024 0.000 1.268 464 I CA 0.783 62.020 61.300 -0.105 0.000 1.449 464 I CB -1.087 36.819 38.000 -0.157 0.000 1.083 464 I HN -0.093 nan 8.210 nan 0.000 0.464 465 F N 0.508 120.460 119.950 0.003 0.000 2.446 465 F HA 0.061 4.591 4.527 0.004 0.000 0.292 465 F C 2.376 178.249 175.800 0.123 0.000 1.096 465 F CA 0.931 58.989 58.000 0.096 0.000 1.438 465 F CB -1.962 37.201 39.000 0.271 0.000 1.107 465 F HN 0.088 nan 8.300 nan 0.000 0.546 466 T N 0.335 115.026 114.554 0.228 0.000 2.929 466 T HA -0.035 4.317 4.350 0.004 0.000 0.271 466 T C 0.918 175.750 174.700 0.220 0.000 1.085 466 T CA 0.512 62.788 62.100 0.294 0.000 1.125 466 T CB -1.458 67.400 68.868 -0.018 0.000 0.874 466 T HN 0.260 nan 8.240 nan 0.000 0.494 467 L N 1.297 122.605 121.223 0.141 0.000 2.586 467 L HA 0.038 4.380 4.340 0.004 0.000 0.307 467 L C 1.625 178.549 176.870 0.091 0.000 1.274 467 L CA 0.586 55.474 54.840 0.082 0.000 0.857 467 L CB 0.072 42.155 42.059 0.039 0.000 1.099 467 L HN 0.084 nan 8.230 nan 0.000 0.525 468 E N 1.810 122.045 120.200 0.057 0.000 2.067 468 E HA 0.103 4.456 4.350 0.004 0.000 0.194 468 E C 1.412 178.033 176.600 0.035 0.000 0.950 468 E CA 0.517 56.945 56.400 0.048 0.000 0.872 468 E CB -0.256 29.465 29.700 0.036 0.000 0.877 468 E HN 0.849 nan 8.360 nan 0.000 0.470 469 G N 2.014 110.827 108.800 0.022 0.000 2.338 469 G HA2 -0.346 3.616 3.960 0.004 0.000 1.024 469 G HA3 -0.346 3.616 3.960 0.004 0.000 1.024 469 G C 0.900 175.811 174.900 0.018 0.000 1.090 469 G CA 1.442 46.551 45.100 0.014 0.000 1.646 469 G HN 0.343 nan 8.290 nan 0.000 0.929 470 Q N -0.979 118.829 119.800 0.013 0.000 2.050 470 Q HA -0.092 4.250 4.340 0.004 0.000 0.202 470 Q C 2.210 178.229 176.000 0.032 0.000 0.980 470 Q CA 2.717 58.530 55.803 0.016 0.000 0.840 470 Q CB -0.413 28.331 28.738 0.011 0.000 0.898 470 Q HN 0.816 nan 8.270 nan 0.000 0.424 471 E N 0.163 120.384 120.200 0.035 0.000 2.106 471 E HA -0.072 4.280 4.350 0.004 0.000 0.192 471 E C 2.121 178.786 176.600 0.107 0.000 0.984 471 E CA 0.872 57.313 56.400 0.068 0.000 0.806 471 E CB -0.320 29.404 29.700 0.040 0.000 0.750 471 E HN 0.647 nan 8.360 nan 0.000 0.458 472 G N 1.439 110.284 108.800 0.076 0.000 2.484 472 G HA2 -0.221 3.742 3.960 0.004 0.000 0.218 472 G HA3 -0.221 3.742 3.960 0.004 0.000 0.218 472 G C 1.708 176.664 174.900 0.094 0.000 1.130 472 G CA -0.037 45.122 45.100 0.099 0.000 0.784 472 G HN -0.022 nan 8.290 nan 0.000 0.543 473 R N -0.100 120.435 120.500 0.058 0.000 2.148 473 R HA 0.116 4.458 4.340 0.004 0.000 0.223 473 R C 2.138 178.454 176.300 0.026 0.000 1.088 473 R CA 0.526 56.641 56.100 0.025 0.000 0.985 473 R CB -0.520 29.787 30.300 0.012 0.000 0.880 473 R HN 0.324 nan 8.270 nan 0.000 0.451 474 L N -0.970 120.294 121.223 0.069 0.000 2.313 474 L HA 0.062 4.405 4.340 0.004 0.000 0.214 474 L C 1.706 178.607 176.870 0.052 0.000 1.119 474 L CA 1.186 56.061 54.840 0.058 0.000 0.809 474 L CB -0.534 41.579 42.059 0.090 0.000 0.933 474 L HN 0.042 nan 8.230 nan 0.000 0.449 475 F N -0.989 118.956 119.950 -0.009 0.000 2.678 475 F HA 0.174 4.703 4.527 0.003 0.000 0.291 475 F C 2.294 178.064 175.800 -0.050 0.000 1.123 475 F CA 0.505 58.504 58.000 -0.002 0.000 1.395 475 F CB -0.261 38.763 39.000 0.039 0.000 1.121 475 F HN 0.098 nan 8.300 nan 0.000 0.592 476 G N 1.680 110.519 108.800 0.064 0.000 2.663 476 G HA2 -0.319 3.643 3.960 0.004 0.000 0.222 476 G HA3 -0.319 3.643 3.960 0.004 0.000 0.222 476 G C -0.798 173.921 174.900 -0.302 0.000 1.146 476 G CA 1.278 46.301 45.100 -0.127 0.000 0.764 476 G HN 0.239 nan 8.290 nan 0.000 0.608 477 P HA -0.079 nan 4.420 nan 0.000 0.211 477 P C 2.209 179.389 177.300 -0.199 0.000 1.179 477 P CA 0.727 63.693 63.100 -0.225 0.000 0.910 477 P CB -0.267 31.329 31.700 -0.174 0.000 0.785 478 L N -0.872 120.237 121.223 -0.190 0.000 1.951 478 L HA -0.313 4.029 4.340 0.004 0.000 0.222 478 L C 2.214 179.070 176.870 -0.023 0.000 1.078 478 L CA 2.310 57.080 54.840 -0.117 0.000 0.778 478 L CB -1.272 40.665 42.059 -0.204 0.000 0.893 478 L HN -0.029 nan 8.230 nan 0.000 0.436 479 A N 0.128 122.968 122.820 0.034 0.000 1.900 479 A HA -0.395 3.927 4.320 0.004 0.000 0.250 479 A C 1.946 179.269 177.584 -0.435 0.000 2.132 479 A CA 2.870 54.740 52.037 -0.277 0.000 0.861 479 A CB -1.676 16.786 19.000 -0.896 0.000 0.830 479 A HN 0.529 nan 8.150 nan 0.000 0.499 480 F N 0.644 120.144 119.950 -0.750 0.000 2.063 480 F HA -0.224 4.305 4.527 0.004 0.000 0.298 480 F C 2.963 178.419 175.800 -0.574 0.000 1.109 480 F CA 1.984 59.672 58.000 -0.521 0.000 1.212 480 F CB -1.514 37.183 39.000 -0.507 0.000 0.973 480 F HN 0.373 nan 8.300 nan 0.000 0.480 481 T N -0.113 114.248 114.554 -0.321 0.000 2.685 481 T HA -0.294 4.058 4.350 0.004 0.000 0.268 481 T C 2.105 176.694 174.700 -0.186 0.000 1.034 481 T CA 1.722 63.632 62.100 -0.317 0.000 1.149 481 T CB -0.349 68.410 68.868 -0.181 0.000 0.860 481 T HN 0.163 nan 8.240 nan 0.000 0.449 482 K N 0.982 121.267 120.400 -0.191 0.000 2.026 482 K HA -0.136 4.186 4.320 0.004 0.000 0.208 482 K C 2.344 178.832 176.600 -0.187 0.000 1.048 482 K CA 1.688 57.775 56.287 -0.334 0.000 0.929 482 K CB -0.803 31.106 32.500 -0.985 0.000 0.713 482 K HN 0.325 nan 8.250 nan 0.000 0.439 483 T N 0.890 115.431 114.554 -0.021 0.000 2.714 483 T HA -0.186 4.166 4.350 0.004 0.000 0.268 483 T C 1.512 176.334 174.700 0.203 0.000 1.036 483 T CA 1.767 63.963 62.100 0.160 0.000 1.148 483 T CB -0.287 68.776 68.868 0.326 0.000 0.856 483 T HN 0.268 nan 8.240 nan 0.000 0.462 484 Y N 0.362 120.578 120.300 -0.141 0.000 2.436 484 Y HA 0.518 5.070 4.550 0.004 0.000 0.288 484 Y C 2.534 178.356 175.900 -0.130 0.000 1.112 484 Y CA -0.675 57.352 58.100 -0.122 0.000 1.220 484 Y CB -1.151 37.251 38.460 -0.096 0.000 1.073 484 Y HN 0.180 nan 8.280 nan 0.000 0.552 485 A N -0.035 122.802 122.820 0.028 0.000 1.972 485 A HA -0.200 4.123 4.320 0.004 0.000 0.219 485 A C 2.270 179.816 177.584 -0.062 0.000 1.169 485 A CA 1.909 53.913 52.037 -0.055 0.000 0.635 485 A CB -0.647 18.300 19.000 -0.089 0.000 0.810 485 A HN 0.423 nan 8.150 nan 0.000 0.446 486 M N -0.050 119.508 119.600 -0.070 0.000 2.134 486 M HA 0.138 4.620 4.480 0.004 0.000 0.262 486 M C 2.178 178.441 176.300 -0.063 0.000 1.076 486 M CA 1.764 57.016 55.300 -0.079 0.000 1.143 486 M CB -0.558 31.984 32.600 -0.097 0.000 1.346 486 M HN 0.316 nan 8.290 nan 0.000 0.421 487 A N 0.336 123.115 122.820 -0.068 0.000 1.896 487 A HA -0.147 4.175 4.320 0.004 0.000 0.220 487 A C 2.342 179.897 177.584 -0.048 0.000 1.206 487 A CA 2.372 54.364 52.037 -0.075 0.000 0.647 487 A CB -2.090 16.836 19.000 -0.123 0.000 0.828 487 A HN 0.682 nan 8.150 nan 0.000 0.455 488 G N -0.794 107.980 108.800 -0.044 0.000 2.679 488 G HA2 -0.111 3.851 3.960 0.004 0.000 0.217 488 G HA3 -0.111 3.851 3.960 0.004 0.000 0.217 488 G C 1.845 176.731 174.900 -0.022 0.000 1.267 488 G CA 2.242 47.323 45.100 -0.032 0.000 0.799 488 G HN 1.129 nan 8.290 nan 0.000 0.606 489 A N 0.820 123.622 122.820 -0.030 0.000 1.940 489 A HA 0.213 4.535 4.320 0.004 0.000 0.219 489 A C 2.826 180.403 177.584 -0.011 0.000 1.176 489 A CA 2.540 54.564 52.037 -0.023 0.000 0.631 489 A CB -0.860 18.119 19.000 -0.036 0.000 0.814 489 A HN 1.012 nan 8.150 nan 0.000 0.446 490 A N -0.171 122.637 122.820 -0.021 0.000 1.841 490 A HA -0.078 4.244 4.320 0.004 0.000 0.216 490 A C 1.997 179.633 177.584 0.087 0.000 1.199 490 A CA 1.592 53.626 52.037 -0.005 0.000 0.621 490 A CB -0.704 18.273 19.000 -0.039 0.000 0.835 490 A HN 0.457 nan 8.150 nan 0.000 0.445 491 L N -0.229 121.032 121.223 0.063 0.000 2.599 491 L HA 0.053 4.395 4.340 0.004 0.000 0.230 491 L C 2.276 179.165 176.870 0.033 0.000 1.141 491 L CA 0.298 55.178 54.840 0.067 0.000 0.877 491 L CB -0.261 41.814 42.059 0.027 0.000 1.009 491 L HN 0.572 nan 8.230 nan 0.000 0.447 492 L N -0.051 121.186 121.223 0.024 0.000 2.049 492 L HA -0.071 4.272 4.340 0.004 0.000 0.203 492 L C 2.743 179.625 176.870 0.019 0.000 1.074 492 L CA 1.498 56.345 54.840 0.012 0.000 0.749 492 L CB -0.263 41.797 42.059 0.002 0.000 0.907 492 L HN 0.151 nan 8.230 nan 0.000 0.439 493 A N 0.830 123.672 122.820 0.037 0.000 1.881 493 A HA -0.292 4.030 4.320 0.004 0.000 0.219 493 A C 2.157 179.765 177.584 0.041 0.000 1.215 493 A CA 2.441 54.507 52.037 0.048 0.000 0.648 493 A CB -1.118 17.932 19.000 0.084 0.000 0.832 493 A HN 0.520 nan 8.150 nan 0.000 0.455 494 I N -0.986 119.618 120.570 0.058 0.000 2.423 494 I HA -0.132 4.040 4.170 0.004 0.000 0.254 494 I C 1.919 178.005 176.117 -0.050 0.000 1.151 494 I CA 1.368 62.646 61.300 -0.038 0.000 1.421 494 I CB -0.665 37.268 38.000 -0.111 0.000 1.079 494 I HN 0.230 nan 8.210 nan 0.000 0.431 495 V N -0.148 119.751 119.914 -0.025 0.000 3.253 495 V HA 0.171 4.293 4.120 0.004 0.000 0.320 495 V C 1.260 177.342 176.094 -0.021 0.000 1.442 495 V CA 0.156 62.436 62.300 -0.032 0.000 1.097 495 V CB 1.101 32.905 31.823 -0.032 0.000 1.008 495 V HN 0.108 nan 8.190 nan 0.000 0.463 496 V N 1.747 121.654 119.914 -0.012 0.000 3.577 496 V HA 0.093 4.215 4.120 0.004 0.000 0.294 496 V C 1.561 177.649 176.094 -0.010 0.000 1.317 496 V CA 1.026 63.322 62.300 -0.007 0.000 1.169 496 V CB 0.033 31.855 31.823 -0.001 0.000 1.011 496 V HN 0.549 nan 8.190 nan 0.000 0.426 497 I N -0.418 120.140 120.570 -0.019 0.000 2.685 497 I HA 0.173 4.345 4.170 0.004 0.000 0.251 497 I C -0.365 175.747 176.117 -0.008 0.000 1.102 497 I CA 0.581 61.870 61.300 -0.019 0.000 1.442 497 I CB -2.550 35.431 38.000 -0.032 0.000 1.194 497 I HN 0.246 nan 8.210 nan 0.000 0.448 498 P HA -0.014 nan 4.420 nan 0.000 0.217 498 P C 2.206 179.484 177.300 -0.036 0.000 1.150 498 P CA 1.412 64.481 63.100 -0.052 0.000 0.832 498 P CB 0.041 31.687 31.700 -0.090 0.000 0.787 499 I N -0.886 119.671 120.570 -0.022 0.000 2.286 499 I HA -0.224 3.948 4.170 0.004 0.000 0.248 499 I C 2.117 178.251 176.117 0.029 0.000 1.115 499 I CA 1.205 62.501 61.300 -0.007 0.000 1.392 499 I CB -0.716 37.281 38.000 -0.005 0.000 1.065 499 I HN -0.107 nan 8.210 nan 0.000 0.418 500 L N -0.711 120.541 121.223 0.048 0.000 2.042 500 L HA -0.240 4.102 4.340 0.004 0.000 0.210 500 L C 2.662 179.622 176.870 0.151 0.000 1.076 500 L CA 0.927 55.813 54.840 0.078 0.000 0.749 500 L CB -0.988 41.106 42.059 0.059 0.000 0.893 500 L HN 0.217 nan 8.230 nan 0.000 0.432 501 M N 0.810 120.548 119.600 0.229 0.000 2.082 501 M HA -0.008 4.474 4.480 0.004 0.000 0.258 501 M C 1.420 177.842 176.300 0.204 0.000 1.069 501 M CA 1.400 56.949 55.300 0.416 0.000 1.102 501 M CB -2.052 30.745 32.600 0.329 0.000 1.336 501 M HN 0.285 nan 8.290 nan 0.000 0.404 516 P HA 0.048 nan 4.420 nan 0.000 0.219 516 P C 1.590 178.946 177.300 0.093 0.000 1.150 516 P CA 0.748 63.881 63.100 0.055 0.000 0.814 516 P CB 0.205 31.910 31.700 0.007 0.000 0.787 517 L N -0.344 120.873 121.223 -0.011 0.000 2.156 517 L HA 0.031 4.373 4.340 0.004 0.000 0.208 517 L C 1.912 178.816 176.870 0.057 0.000 1.095 517 L CA 1.859 56.683 54.840 -0.027 0.000 0.770 517 L CB -1.674 40.312 42.059 -0.121 0.000 0.914 517 L HN -0.175 nan 8.230 nan 0.000 0.439 518 N N 0.658 119.361 118.700 0.006 0.000 2.205 518 N HA -0.214 4.528 4.740 0.004 0.000 0.186 518 N C 1.909 177.460 175.510 0.068 0.000 1.015 518 N CA 1.443 54.500 53.050 0.013 0.000 0.862 518 N CB -0.018 38.461 38.487 -0.014 0.000 0.986 518 N HN 0.503 nan 8.380 nan 0.000 0.429 519 R N -0.892 119.681 120.500 0.122 0.000 2.066 519 R HA -0.022 4.320 4.340 0.004 0.000 0.232 519 R C 2.165 178.480 176.300 0.026 0.000 1.131 519 R CA 1.294 57.433 56.100 0.066 0.000 0.955 519 R CB -0.487 29.843 30.300 0.050 0.000 0.851 519 R HN 0.234 nan 8.270 nan 0.000 0.432 520 F N 0.650 120.586 119.950 -0.024 0.000 2.259 520 F HA -0.038 4.491 4.527 0.004 0.000 0.298 520 F C 2.234 178.023 175.800 -0.019 0.000 1.088 520 F CA 0.595 58.584 58.000 -0.018 0.000 1.358 520 F CB -0.132 38.857 39.000 -0.018 0.000 1.040 520 F HN -0.013 nan 8.300 nan 0.000 0.505 521 L N 0.126 121.444 121.223 0.158 0.000 2.093 521 L HA -0.157 4.186 4.340 0.004 0.000 0.208 521 L C 2.106 178.997 176.870 0.035 0.000 1.085 521 L CA 1.446 56.329 54.840 0.072 0.000 0.755 521 L CB -0.279 41.800 42.059 0.034 0.000 0.904 521 L HN 0.109 nan 8.230 nan 0.000 0.435 522 I N -0.314 120.254 120.570 -0.002 0.000 2.315 522 I HA -0.226 3.946 4.170 0.004 0.000 0.248 522 I C 2.735 178.667 176.117 -0.308 0.000 1.117 522 I CA 0.750 61.977 61.300 -0.120 0.000 1.404 522 I CB -0.478 37.485 38.000 -0.061 0.000 1.071 522 I HN 0.314 nan 8.210 nan 0.000 0.419 523 R N 1.306 121.727 120.500 -0.131 0.000 2.090 523 R HA -0.081 4.261 4.340 0.004 0.000 0.228 523 R C 1.963 178.240 176.300 -0.039 0.000 1.110 523 R CA 1.332 57.383 56.100 -0.083 0.000 0.973 523 R CB -0.448 29.788 30.300 -0.106 0.000 0.869 523 R HN 0.221 nan 8.270 nan 0.000 0.440 524 V N 0.540 120.459 119.914 0.009 0.000 3.141 524 V HA -0.168 3.954 4.120 0.004 0.000 0.265 524 V C 1.789 177.958 176.094 0.125 0.000 1.126 524 V CA 1.338 63.678 62.300 0.065 0.000 1.141 524 V CB -0.758 31.117 31.823 0.086 0.000 0.743 524 V HN 0.366 nan 8.190 nan 0.000 0.492 525 Y N -0.572 119.660 120.300 -0.114 0.000 2.524 525 Y HA 0.007 4.559 4.550 0.003 0.000 0.270 525 Y C 2.445 178.314 175.900 -0.051 0.000 1.094 525 Y CA 0.555 58.603 58.100 -0.086 0.000 1.276 525 Y CB 0.197 38.579 38.460 -0.130 0.000 1.130 525 Y HN 0.358 nan 8.280 nan 0.000 0.536 526 H N 0.418 119.443 119.070 -0.075 0.000 2.495 526 H HA -0.035 4.523 4.556 0.004 0.000 0.287 526 H C -1.122 174.141 175.328 -0.108 0.000 1.033 526 H CA 0.726 56.663 56.048 -0.185 0.000 1.307 526 H CB -0.721 28.917 29.762 -0.207 0.000 1.401 526 H HN 0.367 nan 8.280 nan 0.000 0.555 527 P HA -0.082 nan 4.420 nan 0.000 0.224 527 P C 1.006 178.328 177.300 0.037 0.000 1.157 527 P CA 0.907 64.030 63.100 0.038 0.000 0.799 527 P CB 0.281 32.005 31.700 0.040 0.000 0.809 528 L N -0.752 120.509 121.223 0.062 0.000 2.270 528 L HA 0.005 4.347 4.340 0.004 0.000 0.210 528 L C 2.457 179.347 176.870 0.033 0.000 1.104 528 L CA 1.162 56.024 54.840 0.036 0.000 0.804 528 L CB -2.356 39.755 42.059 0.087 0.000 0.937 528 L HN 0.019 nan 8.230 nan 0.000 0.450 529 L N -0.381 120.851 121.223 0.014 0.000 2.109 529 L HA -0.039 4.303 4.340 0.004 0.000 0.207 529 L C 2.095 178.982 176.870 0.028 0.000 1.086 529 L CA 1.263 56.112 54.840 0.016 0.000 0.760 529 L CB -1.410 40.606 42.059 -0.073 0.000 0.910 529 L HN 0.222 nan 8.230 nan 0.000 0.437 530 L N -2.496 118.737 121.223 0.016 0.000 2.627 530 L HA 0.227 4.569 4.340 0.004 0.000 0.233 530 L C 1.719 178.593 176.870 0.007 0.000 1.144 530 L CA 1.091 55.932 54.840 0.002 0.000 0.892 530 L CB -0.714 41.342 42.059 -0.006 0.000 1.039 530 L HN 0.215 nan 8.230 nan 0.000 0.442 531 K N -0.867 119.546 120.400 0.020 0.000 2.474 531 K HA 0.199 4.521 4.320 0.004 0.000 0.204 531 K C 1.693 178.365 176.600 0.120 0.000 1.220 531 K CA 0.773 57.086 56.287 0.044 0.000 0.966 531 K CB 0.679 33.224 32.500 0.074 0.000 1.049 531 K HN 0.290 nan 8.250 nan 0.000 0.554 532 V N 0.055 120.000 119.914 0.052 0.000 3.041 532 V HA -0.057 4.066 4.120 0.004 0.000 0.260 532 V C 1.757 177.914 176.094 0.106 0.000 1.105 532 V CA 0.927 63.272 62.300 0.076 0.000 1.125 532 V CB -0.387 31.476 31.823 0.066 0.000 0.730 532 V HN 0.147 nan 8.190 nan 0.000 0.479 533 L N 0.384 121.642 121.223 0.059 0.000 2.145 533 L HA 0.204 4.547 4.340 0.004 0.000 0.201 533 L C 2.522 179.359 176.870 -0.055 0.000 1.075 533 L CA 1.964 56.812 54.840 0.013 0.000 0.773 533 L CB -1.030 41.017 42.059 -0.019 0.000 0.936 533 L HN 0.324 nan 8.230 nan 0.000 0.451 534 H N -1.058 117.854 119.070 -0.262 0.000 2.466 534 H HA -0.178 4.380 4.556 0.004 0.000 0.297 534 H C -0.544 174.312 175.328 -0.788 0.000 1.113 534 H CA 1.574 57.237 56.048 -0.641 0.000 1.273 534 H CB 0.214 29.366 29.762 -1.016 0.000 1.371 534 H HN 0.283 nan 8.280 nan 0.000 0.528 535 W N -1.303 120.087 121.300 0.149 0.000 3.132 535 W HA 0.172 4.834 4.660 0.004 0.000 0.337 535 W C -2.436 174.120 176.519 0.061 0.000 1.082 535 W CA -2.127 55.273 57.345 0.093 0.000 1.242 535 W CB 1.447 30.944 29.460 0.062 0.000 1.354 535 W HN -0.028 nan 8.180 nan 0.000 0.461 536 P HA -0.034 nan 4.420 nan 0.000 0.210 536 P C 1.678 179.079 177.300 0.168 0.000 1.173 536 P CA 1.393 64.600 63.100 0.179 0.000 0.898 536 P CB 0.777 32.561 31.700 0.140 0.000 0.758 537 K N 0.086 120.581 120.400 0.159 0.000 2.127 537 K HA -0.157 4.165 4.320 0.004 0.000 0.208 537 K C 1.929 178.589 176.600 0.100 0.000 1.047 537 K CA 2.368 58.726 56.287 0.119 0.000 0.927 537 K CB -1.743 30.822 32.500 0.107 0.000 0.716 537 K HN 0.295 nan 8.250 nan 0.000 0.450 538 T N -2.534 112.087 114.554 0.112 0.000 2.849 538 T HA -0.195 4.157 4.350 0.004 0.000 0.270 538 T C 1.842 176.569 174.700 0.045 0.000 1.066 538 T CA 1.847 63.966 62.100 0.032 0.000 1.130 538 T CB -1.005 67.851 68.868 -0.020 0.000 0.864 538 T HN 0.428 nan 8.240 nan 0.000 0.481 539 T N 1.033 115.635 114.554 0.080 0.000 2.777 539 T HA 0.004 4.356 4.350 0.004 0.000 0.266 539 T C 1.860 176.611 174.700 0.085 0.000 1.040 539 T CA 1.007 63.147 62.100 0.066 0.000 1.141 539 T CB -0.767 68.148 68.868 0.078 0.000 0.868 539 T HN 0.308 nan 8.240 nan 0.000 0.444 540 L N 0.910 122.192 121.223 0.097 0.000 2.191 540 L HA 0.142 4.484 4.340 0.004 0.000 0.212 540 L C 2.109 179.047 176.870 0.114 0.000 1.103 540 L CA 1.385 56.294 54.840 0.114 0.000 0.769 540 L CB -0.656 41.460 42.059 0.095 0.000 0.908 540 L HN 0.357 nan 8.230 nan 0.000 0.438 541 L N -2.315 118.958 121.223 0.082 0.000 2.130 541 L HA -0.018 4.324 4.340 0.004 0.000 0.200 541 L C 2.299 179.217 176.870 0.080 0.000 1.075 541 L CA 0.572 55.447 54.840 0.059 0.000 0.768 541 L CB -0.930 41.135 42.059 0.010 0.000 0.933 541 L HN -0.044 nan 8.230 nan 0.000 0.451 542 V N 0.752 120.712 119.914 0.078 0.000 2.867 542 V HA -0.194 3.928 4.120 0.004 0.000 0.260 542 V C 2.634 178.906 176.094 0.296 0.000 1.099 542 V CA 1.514 63.886 62.300 0.121 0.000 1.122 542 V CB -0.882 30.985 31.823 0.073 0.000 0.708 542 V HN 0.441 nan 8.190 nan 0.000 0.490 543 A N 0.253 123.275 122.820 0.337 0.000 1.878 543 A HA 0.127 4.449 4.320 0.004 0.000 0.213 543 A C 2.385 180.175 177.584 0.344 0.000 1.192 543 A CA 1.326 53.766 52.037 0.672 0.000 0.619 543 A CB -0.626 18.651 19.000 0.463 0.000 0.837 543 A HN 0.525 nan 8.150 nan 0.000 0.446 544 A N -0.235 122.698 122.820 0.190 0.000 2.125 544 A HA 0.067 4.389 4.320 0.004 0.000 0.219 544 A C 2.097 179.721 177.584 0.065 0.000 1.156 544 A CA 1.399 53.495 52.037 0.098 0.000 0.671 544 A CB -0.606 18.440 19.000 0.077 0.000 0.794 544 A HN 0.774 nan 8.150 nan 0.000 0.459 545 L N -0.915 120.361 121.223 0.089 0.000 2.022 545 L HA -0.051 4.291 4.340 0.004 0.000 0.204 545 L C 2.356 179.244 176.870 0.029 0.000 1.076 545 L CA 2.287 57.163 54.840 0.059 0.000 0.749 545 L CB -0.416 41.682 42.059 0.065 0.000 0.903 545 L HN 0.195 nan 8.230 nan 0.000 0.439 546 S N -0.572 115.138 115.700 0.016 0.000 2.402 546 S HA -0.071 4.401 4.470 0.004 0.000 0.229 546 S C 1.735 176.172 174.600 -0.270 0.000 1.021 546 S CA 1.182 59.319 58.200 -0.105 0.000 0.974 546 S CB -0.109 63.086 63.200 -0.009 0.000 0.800 546 S HN 0.332 nan 8.310 nan 0.000 0.484 547 V N 0.966 120.628 119.914 -0.420 0.000 3.623 547 V HA 0.197 4.319 4.120 0.004 0.000 0.271 547 V C 1.422 177.469 176.094 -0.077 0.000 1.248 547 V CA 0.712 62.820 62.300 -0.321 0.000 1.156 547 V CB 0.240 31.834 31.823 -0.383 0.000 0.870 547 V HN 0.322 nan 8.190 nan 0.000 0.453 548 L N -1.173 120.044 121.223 -0.011 0.000 2.575 548 L HA 0.157 4.499 4.340 0.004 0.000 0.228 548 L C 2.340 179.289 176.870 0.131 0.000 1.075 548 L CA 1.523 56.394 54.840 0.050 0.000 0.867 548 L CB 0.119 42.205 42.059 0.044 0.000 1.097 548 L HN 0.265 nan 8.230 nan 0.000 0.485 549 T N -1.702 112.957 114.554 0.175 0.000 2.788 549 T HA -0.185 4.167 4.350 0.004 0.000 0.268 549 T C 1.942 177.031 174.700 0.647 0.000 1.044 549 T CA 1.700 64.009 62.100 0.347 0.000 1.139 549 T CB -0.219 68.778 68.868 0.215 0.000 0.867 549 T HN 0.139 nan 8.240 nan 0.000 0.454 550 V N 1.184 121.421 119.914 0.538 0.000 2.660 550 V HA -0.064 4.058 4.120 0.004 0.000 0.257 550 V C 2.249 178.336 176.094 -0.013 0.000 1.088 550 V CA 1.796 64.278 62.300 0.303 0.000 1.106 550 V CB -0.524 31.396 31.823 0.161 0.000 0.686 550 V HN 0.641 nan 8.190 nan 0.000 0.481 551 L N -1.630 119.642 121.223 0.082 0.000 2.551 551 L HA -0.057 4.285 4.340 0.004 0.000 0.228 551 L C 1.782 178.641 176.870 -0.018 0.000 1.153 551 L CA 1.230 56.074 54.840 0.007 0.000 0.851 551 L CB -0.204 41.874 42.059 0.033 0.000 0.959 551 L HN 0.648 nan 8.230 nan 0.000 0.451 552 W N 1.104 122.300 121.300 -0.174 0.000 2.523 552 W HA 0.062 4.724 4.660 0.003 0.000 0.278 552 W C -1.095 175.155 176.519 -0.447 0.000 1.236 552 W CA 0.456 57.654 57.345 -0.245 0.000 1.306 552 W CB -0.378 29.020 29.460 -0.105 0.000 1.101 552 W HN 0.059 nan 8.180 nan 0.000 0.577 553 P HA 0.061 nan 4.420 nan 0.000 0.257 553 P C 1.175 178.235 177.300 -0.400 0.000 1.241 553 P CA 1.008 63.778 63.100 -0.549 0.000 0.816 553 P CB 0.050 31.426 31.700 -0.540 0.000 1.150 554 L N -0.912 120.117 121.223 -0.324 0.000 2.591 554 L HA 0.159 4.501 4.340 0.004 0.000 0.228 554 L C 1.318 178.062 176.870 -0.210 0.000 1.133 554 L CA 0.705 55.419 54.840 -0.209 0.000 0.880 554 L CB -0.317 41.671 42.059 -0.119 0.000 1.033 554 L HN 0.088 nan 8.230 nan 0.000 0.450 555 N N -0.713 117.810 118.700 -0.294 0.000 2.324 555 N HA -0.039 4.703 4.740 0.004 0.000 0.235 555 N C 1.534 176.833 175.510 -0.352 0.000 1.162 555 N CA 0.090 52.976 53.050 -0.274 0.000 0.834 555 N CB 0.850 39.201 38.487 -0.227 0.000 1.354 555 N HN 0.154 nan 8.380 nan 0.000 0.471 556 K N 2.146 122.224 120.400 -0.537 0.000 2.137 556 K HA 0.013 4.335 4.320 0.004 0.000 0.202 556 K C 1.294 177.652 176.600 -0.402 0.000 1.052 556 K CA 1.380 57.326 56.287 -0.569 0.000 0.961 556 K CB 0.086 31.982 32.500 -1.006 0.000 0.741 556 K HN -0.055 nan 8.250 nan 0.000 0.452 557 V N -2.502 117.188 119.914 -0.373 0.000 2.167 557 V HA -0.323 3.799 4.120 0.004 0.000 0.105 557 V C 0.916 176.946 176.094 -0.107 0.000 0.454 557 V CA 1.932 64.094 62.300 -0.229 0.000 1.344 557 V CB -2.627 29.037 31.823 -0.266 0.000 1.586 557 V HN 0.769 nan 8.190 nan 0.000 0.935 558 G N -0.689 108.072 108.800 -0.064 0.000 5.266 558 G HA2 0.279 4.241 3.960 0.004 0.000 0.262 558 G HA3 0.279 4.241 3.960 0.004 0.000 0.262 558 G C 1.626 176.529 174.900 0.005 0.000 1.359 558 G CA 0.987 46.136 45.100 0.081 0.000 0.955 558 G HN 3.127 nan 8.290 nan 0.000 0.754 559 G N -1.253 107.527 108.800 -0.033 0.000 2.368 559 G HA2 0.634 4.597 3.960 0.004 0.000 0.303 559 G HA3 0.634 4.597 3.960 0.004 0.000 0.303 559 G C -0.477 174.382 174.900 -0.067 0.000 1.590 559 G CA 0.577 45.635 45.100 -0.069 0.000 0.938 559 G HN 1.749 nan 8.290 nan 0.000 0.675 560 E N -1.403 118.749 120.200 -0.081 0.000 9.128 560 E HA -0.158 4.194 4.350 0.004 0.000 0.466 560 E C 0.028 176.622 176.600 -0.011 0.000 1.362 560 E CA 1.542 57.993 56.400 0.086 0.000 2.366 560 E CB -0.571 29.173 29.700 0.073 0.000 1.025 560 E HN 0.643 nan 8.360 nan 0.000 0.333 561 F N -0.670 119.302 119.950 0.037 0.000 2.123 561 F HA 0.405 4.934 4.527 0.004 0.000 0.207 561 F C 0.743 176.602 175.800 0.099 0.000 1.198 561 F CA -0.679 57.353 58.000 0.053 0.000 1.265 561 F CB -0.008 38.995 39.000 0.005 0.000 1.722 561 F HN 0.323 nan 8.300 nan 0.000 0.351 562 L N 3.417 124.822 121.223 0.304 0.000 2.360 562 L HA 0.616 4.959 4.340 0.004 0.000 0.265 562 L C -2.935 173.994 176.870 0.098 0.000 1.066 562 L CA -1.553 53.396 54.840 0.181 0.000 0.929 562 L CB -0.503 41.645 42.059 0.148 0.000 1.306 562 L HN 0.070 nan 8.230 nan 0.000 0.434 563 P HA 0.793 nan 4.420 nan 0.000 0.308 563 P C -1.284 175.994 177.300 -0.036 0.000 1.236 563 P CA -0.485 62.609 63.100 -0.009 0.000 0.971 563 P CB 1.842 33.513 31.700 -0.049 0.000 1.399 564 Q N -1.409 118.365 119.800 -0.044 0.000 0.839 564 Q HA 0.027 4.369 4.340 0.004 0.000 0.249 564 Q C -0.598 175.387 176.000 -0.025 0.000 1.079 564 Q CA 0.607 56.379 55.803 -0.052 0.000 0.686 564 Q CB -1.568 27.116 28.738 -0.090 0.000 4.405 564 Q HN 0.601 nan 8.270 nan 0.000 0.332 565 I N -0.979 119.578 120.570 -0.023 0.000 8.673 565 I HA -0.217 3.955 4.170 0.004 0.000 0.310 565 I C -0.673 175.436 176.117 -0.012 0.000 1.891 565 I CA 0.153 61.447 61.300 -0.010 0.000 2.022 565 I CB -0.416 37.582 38.000 -0.003 0.000 3.871 565 I HN 0.788 nan 8.210 nan 0.000 0.195 566 N N 2.240 120.936 118.700 -0.007 0.000 2.448 566 N HA 0.488 5.230 4.740 0.004 0.000 0.279 566 N C -0.790 174.718 175.510 -0.004 0.000 1.025 566 N CA -0.647 52.398 53.050 -0.007 0.000 0.898 566 N CB 1.278 39.759 38.487 -0.011 0.000 1.303 566 N HN 0.494 nan 8.380 nan 0.000 0.495 567 E N 0.917 121.115 120.200 -0.002 0.000 2.397 567 E HA 0.412 4.764 4.350 0.004 0.000 0.254 567 E C 1.071 177.648 176.600 -0.038 0.000 1.231 567 E CA -0.504 55.890 56.400 -0.010 0.000 0.954 567 E CB 0.171 29.873 29.700 0.003 0.000 1.024 567 E HN 0.448 nan 8.360 nan 0.000 0.481 568 G N -0.618 108.129 108.800 -0.087 0.000 2.656 568 G HA2 0.074 4.037 3.960 0.004 0.000 0.211 568 G HA3 0.074 4.037 3.960 0.004 0.000 0.211 568 G C -0.670 174.159 174.900 -0.118 0.000 1.137 568 G CA 0.087 45.125 45.100 -0.104 0.000 0.802 568 G HN 0.500 nan 8.290 nan 0.000 0.527 569 D N -0.333 119.972 120.400 -0.157 0.000 2.896 569 D HA 0.459 5.101 4.640 0.004 0.000 0.241 569 D C -1.153 175.125 176.300 -0.036 0.000 1.188 569 D CA -0.585 53.339 54.000 -0.128 0.000 0.879 569 D CB 2.669 43.313 40.800 -0.260 0.000 1.553 569 D HN 0.028 nan 8.370 nan 0.000 0.515 570 L N 1.859 123.094 121.223 0.021 0.000 2.307 570 L HA 0.462 4.804 4.340 0.004 0.000 0.282 570 L C -1.420 175.479 176.870 0.047 0.000 1.051 570 L CA -0.619 54.261 54.840 0.067 0.000 0.804 570 L CB 0.940 43.087 42.059 0.147 0.000 1.197 570 L HN 0.335 nan 8.230 nan 0.000 0.431 571 L N 6.070 127.305 121.223 0.019 0.000 2.259 571 L HA 0.217 4.559 4.340 0.004 0.000 0.288 571 L C -0.537 176.258 176.870 -0.125 0.000 1.051 571 L CA -0.328 54.486 54.840 -0.042 0.000 0.824 571 L CB 0.092 42.111 42.059 -0.067 0.000 1.206 571 L HN 0.659 nan 8.230 nan 0.000 0.429 572 Y N 5.334 125.414 120.300 -0.367 0.000 2.511 572 Y HA 0.260 4.812 4.550 0.004 0.000 0.332 572 Y C -0.047 175.605 175.900 -0.413 0.000 1.177 572 Y CA 0.407 58.113 58.100 -0.658 0.000 1.422 572 Y CB 0.566 38.590 38.460 -0.727 0.000 1.271 572 Y HN 0.522 nan 8.280 nan 0.000 0.550 573 M N 8.802 128.116 119.600 -0.477 0.000 2.274 573 M HA 0.249 4.731 4.480 0.004 0.000 0.272 573 M C -2.890 173.205 176.300 -0.341 0.000 1.053 573 M CA -1.386 53.782 55.300 -0.220 0.000 0.978 573 M CB 2.617 35.112 32.600 -0.174 0.000 1.836 573 M HN 0.412 nan 8.290 nan 0.000 0.484 574 P HA 0.476 nan 4.420 nan 0.000 0.317 574 P C -0.962 176.274 177.300 -0.108 0.000 1.301 574 P CA -0.672 62.328 63.100 -0.166 0.000 0.799 574 P CB 0.950 32.653 31.700 0.004 0.000 1.344 575 S N -0.594 115.055 115.700 -0.084 0.000 2.488 575 S HA 0.408 4.880 4.470 0.004 0.000 0.310 575 S C -0.201 174.367 174.600 -0.053 0.000 1.093 575 S CA -0.254 57.900 58.200 -0.076 0.000 1.129 575 S CB -0.466 62.688 63.200 -0.076 0.000 0.989 575 S HN 0.420 nan 8.310 nan 0.000 0.479 576 T N 4.091 118.613 114.554 -0.054 0.000 2.795 576 T HA 0.537 4.890 4.350 0.004 0.000 0.282 576 T C -0.002 174.664 174.700 -0.057 0.000 0.980 576 T CA -0.794 61.280 62.100 -0.043 0.000 1.012 576 T CB 0.120 68.966 68.868 -0.037 0.000 0.936 576 T HN 0.426 nan 8.240 nan 0.000 0.457 577 L N 7.257 128.450 121.223 -0.051 0.000 2.453 577 L HA 0.219 4.561 4.340 0.004 0.000 0.272 577 L C -1.108 175.723 176.870 -0.064 0.000 1.182 577 L CA -1.686 53.118 54.840 -0.059 0.000 0.858 577 L CB 0.148 42.177 42.059 -0.051 0.000 1.120 577 L HN 0.594 nan 8.230 nan 0.000 0.474 578 P HA -0.219 nan 4.420 nan 0.000 0.228 578 P C 0.401 177.655 177.300 -0.077 0.000 0.821 578 P CA 1.100 64.153 63.100 -0.079 0.000 1.093 578 P CB -0.158 31.491 31.700 -0.085 0.000 0.688 579 G N -0.308 108.443 108.800 -0.081 0.000 2.365 579 G HA2 0.395 4.357 3.960 0.004 0.000 0.249 579 G HA3 0.395 4.357 3.960 0.004 0.000 0.249 579 G C -0.456 174.403 174.900 -0.068 0.000 1.288 579 G CA 0.191 45.242 45.100 -0.082 0.000 0.887 579 G HN 0.448 nan 8.290 nan 0.000 0.524 580 I N -0.289 120.239 120.570 -0.071 0.000 2.785 580 I HA 0.514 4.686 4.170 0.004 0.000 0.293 580 I C -0.153 175.929 176.117 -0.058 0.000 1.446 580 I CA -0.558 60.709 61.300 -0.056 0.000 1.028 580 I CB 1.462 39.433 38.000 -0.047 0.000 1.349 580 I HN 0.439 nan 8.210 nan 0.000 0.438 581 S N 3.210 118.884 115.700 -0.043 0.000 2.634 581 S HA 0.591 5.063 4.470 0.004 0.000 0.254 581 S C 1.144 175.724 174.600 -0.034 0.000 1.299 581 S CA 0.165 58.343 58.200 -0.038 0.000 0.974 581 S CB 1.008 64.195 63.200 -0.022 0.000 1.001 581 S HN 0.953 nan 8.310 nan 0.000 0.584 582 A N -0.410 122.397 122.820 -0.022 0.000 2.115 582 A HA 0.507 4.829 4.320 0.004 0.000 0.211 582 A C 1.837 179.419 177.584 -0.004 0.000 1.169 582 A CA 0.747 52.776 52.037 -0.013 0.000 0.787 582 A CB -0.573 18.426 19.000 -0.002 0.000 0.858 582 A HN 0.732 nan 8.150 nan 0.000 0.474 583 A N 0.297 123.115 122.820 -0.003 0.000 1.924 583 A HA 0.087 4.409 4.320 0.004 0.000 0.211 583 A C 1.882 179.461 177.584 -0.008 0.000 1.198 583 A CA 1.345 53.382 52.037 -0.001 0.000 0.657 583 A CB -0.375 18.627 19.000 0.003 0.000 0.852 583 A HN 0.576 nan 8.150 nan 0.000 0.454 584 E N 0.668 120.861 120.200 -0.012 0.000 2.023 584 E HA -0.144 4.208 4.350 0.004 0.000 0.196 584 E C 1.931 178.519 176.600 -0.021 0.000 1.003 584 E CA 1.642 58.032 56.400 -0.016 0.000 0.809 584 E CB -0.415 29.274 29.700 -0.018 0.000 0.755 584 E HN 0.416 nan 8.360 nan 0.000 0.449 585 A N 0.575 123.381 122.820 -0.024 0.000 2.131 585 A HA -0.051 4.271 4.320 0.004 0.000 0.220 585 A C 2.287 179.855 177.584 -0.026 0.000 1.158 585 A CA 1.732 53.752 52.037 -0.028 0.000 0.665 585 A CB -0.709 18.273 19.000 -0.030 0.000 0.795 585 A HN 0.473 nan 8.150 nan 0.000 0.460 586 A N -1.152 121.657 122.820 -0.018 0.000 2.021 586 A HA 0.112 4.434 4.320 0.004 0.000 0.216 586 A C 2.346 179.918 177.584 -0.021 0.000 1.163 586 A CA 1.648 53.677 52.037 -0.014 0.000 0.676 586 A CB -0.503 18.495 19.000 -0.003 0.000 0.818 586 A HN 0.582 nan 8.150 nan 0.000 0.453 587 S N -0.852 114.835 115.700 -0.022 0.000 2.387 587 S HA -0.011 4.462 4.470 0.004 0.000 0.221 587 S C 1.983 176.562 174.600 -0.035 0.000 1.041 587 S CA 1.013 59.198 58.200 -0.025 0.000 0.959 587 S CB -0.418 62.771 63.200 -0.019 0.000 0.843 587 S HN 0.461 nan 8.310 nan 0.000 0.488 588 M N 0.879 120.458 119.600 -0.036 0.000 2.521 588 M HA -0.075 4.407 4.480 0.004 0.000 0.260 588 M C 1.636 177.895 176.300 -0.067 0.000 1.068 588 M CA 0.821 56.094 55.300 -0.045 0.000 1.060 588 M CB -0.172 32.404 32.600 -0.040 0.000 1.398 588 M HN 0.442 nan 8.290 nan 0.000 0.473 589 L N -0.747 120.437 121.223 -0.065 0.000 2.388 589 L HA 0.031 4.374 4.340 0.004 0.000 0.209 589 L C 2.093 178.918 176.870 -0.075 0.000 1.061 589 L CA 1.411 56.200 54.840 -0.085 0.000 0.834 589 L CB -0.725 41.294 42.059 -0.066 0.000 1.029 589 L HN 0.063 nan 8.230 nan 0.000 0.473 590 Q N 0.514 120.281 119.800 -0.054 0.000 2.152 590 Q HA -0.265 4.077 4.340 0.004 0.000 0.206 590 Q C 2.252 178.220 176.000 -0.053 0.000 0.985 590 Q CA 2.258 58.032 55.803 -0.048 0.000 0.863 590 Q CB -0.228 28.489 28.738 -0.035 0.000 0.904 590 Q HN 0.568 nan 8.270 nan 0.000 0.422 591 K N -1.339 119.029 120.400 -0.053 0.000 1.980 591 K HA -0.095 4.227 4.320 0.004 0.000 0.208 591 K C 2.083 178.643 176.600 -0.066 0.000 1.043 591 K CA 1.640 57.897 56.287 -0.050 0.000 0.938 591 K CB -0.488 31.988 32.500 -0.040 0.000 0.724 591 K HN 0.186 nan 8.250 nan 0.000 0.438 592 T N 1.742 116.239 114.554 -0.096 0.000 2.649 592 T HA -0.213 4.140 4.350 0.004 0.000 0.268 592 T C 1.455 176.070 174.700 -0.142 0.000 1.036 592 T CA 2.029 64.041 62.100 -0.147 0.000 1.157 592 T CB -0.451 68.260 68.868 -0.262 0.000 0.861 592 T HN 0.395 nan 8.240 nan 0.000 0.445 593 D N 0.135 120.459 120.400 -0.127 0.000 2.348 593 D HA -0.023 4.620 4.640 0.004 0.000 0.216 593 D C 2.022 178.281 176.300 -0.070 0.000 0.970 593 D CA 0.765 54.703 54.000 -0.102 0.000 0.889 593 D CB 0.018 40.764 40.800 -0.090 0.000 0.912 593 D HN 0.365 nan 8.370 nan 0.000 0.524 594 K N -0.294 120.070 120.400 -0.059 0.000 2.076 594 K HA -0.006 4.316 4.320 0.004 0.000 0.204 594 K C 2.150 178.731 176.600 -0.031 0.000 1.051 594 K CA 0.677 56.939 56.287 -0.043 0.000 0.949 594 K CB 0.080 32.559 32.500 -0.036 0.000 0.726 594 K HN 0.229 nan 8.250 nan 0.000 0.443 595 L N -1.745 119.463 121.223 -0.026 0.000 2.529 595 L HA 0.162 4.504 4.340 0.004 0.000 0.223 595 L C 1.509 178.386 176.870 0.012 0.000 1.113 595 L CA 0.112 54.949 54.840 -0.005 0.000 0.861 595 L CB -0.057 42.006 42.059 0.006 0.000 1.012 595 L HN -0.082 nan 8.230 nan 0.000 0.461 596 I N 0.692 121.264 120.570 0.003 0.000 3.111 596 I HA -0.061 4.112 4.170 0.004 0.000 0.272 596 I C 2.051 178.175 176.117 0.012 0.000 1.268 596 I CA 1.032 62.352 61.300 0.033 0.000 1.467 596 I CB -0.366 37.642 38.000 0.014 0.000 1.087 596 I HN 0.440 nan 8.210 nan 0.000 0.467 597 M N 0.451 120.043 119.600 -0.014 0.000 2.659 597 M HA -0.046 4.436 4.480 0.004 0.000 0.243 597 M C 2.209 178.490 176.300 -0.033 0.000 1.111 597 M CA 0.580 55.862 55.300 -0.031 0.000 1.070 597 M CB -0.715 31.860 32.600 -0.042 0.000 1.525 597 M HN 0.271 nan 8.290 nan 0.000 0.517 598 S N -0.515 115.176 115.700 -0.014 0.000 2.361 598 S HA -0.039 4.434 4.470 0.004 0.000 0.214 598 S C 0.823 175.410 174.600 -0.023 0.000 1.034 598 S CA 0.810 59.002 58.200 -0.013 0.000 1.025 598 S CB -1.730 61.472 63.200 0.003 0.000 0.996 598 S HN 0.318 nan 8.310 nan 0.000 0.422 599 V N 3.783 123.690 119.914 -0.011 0.000 2.644 599 V HA 0.083 4.205 4.120 0.004 0.000 0.305 599 V C -0.957 175.099 176.094 -0.063 0.000 1.053 599 V CA -0.856 61.433 62.300 -0.018 0.000 1.186 599 V CB -0.420 31.403 31.823 -0.000 0.000 0.895 599 V HN 0.384 nan 8.190 nan 0.000 0.490 600 P HA -0.082 nan 4.420 nan 0.000 0.223 600 P C 0.954 178.026 177.300 -0.379 0.000 1.151 600 P CA 0.943 63.915 63.100 -0.215 0.000 0.787 600 P CB 0.401 32.029 31.700 -0.120 0.000 0.788 601 E N 0.419 120.506 120.200 -0.189 0.000 2.208 601 E HA -0.040 4.313 4.350 0.004 0.000 0.193 601 E C 1.018 177.502 176.600 -0.194 0.000 0.988 601 E CA 0.224 56.526 56.400 -0.163 0.000 0.828 601 E CB -1.029 28.679 29.700 0.013 0.000 0.763 601 E HN 0.209 nan 8.360 nan 0.000 0.478 602 V N -0.677 119.147 119.914 -0.150 0.000 2.446 602 V HA 0.377 4.499 4.120 0.004 0.000 0.276 602 V C 0.967 176.966 176.094 -0.158 0.000 1.030 602 V CA 0.201 62.436 62.300 -0.108 0.000 1.033 602 V CB 0.961 32.753 31.823 -0.052 0.000 0.993 602 V HN 0.129 nan 8.190 nan 0.000 0.477 603 A N 5.283 128.022 122.820 -0.134 0.000 1.984 603 A HA 0.428 4.750 4.320 0.004 0.000 0.214 603 A C 1.210 178.739 177.584 -0.092 0.000 1.173 603 A CA 0.395 52.346 52.037 -0.143 0.000 0.673 603 A CB 0.066 18.998 19.000 -0.114 0.000 0.830 603 A HN 0.866 nan 8.150 nan 0.000 0.453 604 R N -2.474 117.991 120.500 -0.058 0.000 2.634 604 R HA 0.578 4.920 4.340 0.004 0.000 0.263 604 R C -1.883 174.418 176.300 0.002 0.000 1.060 604 R CA -0.416 55.667 56.100 -0.029 0.000 0.898 604 R CB 2.255 32.552 30.300 -0.005 0.000 1.253 604 R HN 0.059 nan 8.270 nan 0.000 0.461 605 V N 1.578 121.497 119.914 0.007 0.000 3.102 605 V HA 0.682 4.805 4.120 0.004 0.000 0.312 605 V C -1.592 174.560 176.094 0.096 0.000 1.135 605 V CA -0.657 61.671 62.300 0.047 0.000 1.022 605 V CB 2.392 34.219 31.823 0.006 0.000 1.056 605 V HN 0.647 nan 8.190 nan 0.000 0.436 606 F N 1.464 121.392 119.950 -0.036 0.000 3.240 606 F HA 0.637 5.166 4.527 0.004 0.000 0.370 606 F C 0.088 175.861 175.800 -0.045 0.000 1.271 606 F CA -0.782 57.205 58.000 -0.022 0.000 1.224 606 F CB 1.334 40.338 39.000 0.008 0.000 1.624 606 F HN 0.489 nan 8.300 nan 0.000 0.658 607 G N 4.996 113.969 108.800 0.288 0.000 2.655 607 G HA2 0.489 4.452 3.960 0.004 0.000 0.334 607 G HA3 0.489 4.452 3.960 0.004 0.000 0.334 607 G C -1.070 173.930 174.900 0.167 0.000 1.099 607 G CA -0.786 44.394 45.100 0.134 0.000 1.075 607 G HN 0.431 nan 8.290 nan 0.000 0.463 608 K N 0.443 120.933 120.400 0.150 0.000 2.234 608 K HA 0.655 4.977 4.320 0.004 0.000 0.277 608 K C -0.445 176.173 176.600 0.029 0.000 1.038 608 K CA -0.671 55.687 56.287 0.118 0.000 0.888 608 K CB 1.394 33.936 32.500 0.071 0.000 1.091 608 K HN 0.067 nan 8.250 nan 0.000 0.467 609 T N 1.876 116.448 114.554 0.030 0.000 2.833 609 T HA 0.756 5.108 4.350 0.004 0.000 0.297 609 T C -0.006 174.704 174.700 0.017 0.000 1.015 609 T CA -0.224 61.878 62.100 0.003 0.000 0.963 609 T CB 1.106 69.967 68.868 -0.011 0.000 0.955 609 T HN 0.957 nan 8.240 nan 0.000 0.449 610 G N 2.345 111.155 108.800 0.016 0.000 2.298 610 G HA2 0.038 4.001 3.960 0.004 0.000 0.309 610 G HA3 0.038 4.001 3.960 0.004 0.000 0.309 610 G C -0.877 174.060 174.900 0.061 0.000 1.279 610 G CA -1.098 44.025 45.100 0.039 0.000 1.042 610 G HN 0.734 nan 8.290 nan 0.000 0.480 611 K N -0.141 120.318 120.400 0.099 0.000 2.188 611 K HA 0.506 4.828 4.320 0.004 0.000 0.246 611 K C 1.156 177.830 176.600 0.123 0.000 1.026 611 K CA 0.568 56.933 56.287 0.129 0.000 0.871 611 K CB 0.550 33.157 32.500 0.178 0.000 1.042 611 K HN 1.204 nan 8.250 nan 0.000 0.509 612 A N 1.622 124.542 122.820 0.166 0.000 2.564 612 A HA 0.136 4.458 4.320 0.004 0.000 0.279 612 A C 0.002 177.673 177.584 0.146 0.000 1.232 612 A CA 0.443 52.595 52.037 0.192 0.000 0.950 612 A CB -0.047 19.175 19.000 0.371 0.000 1.138 612 A HN 0.917 nan 8.150 nan 0.000 0.526 613 E N -1.154 119.117 120.200 0.119 0.000 2.694 613 E HA -0.156 4.196 4.350 0.004 0.000 0.272 613 E C -0.118 176.499 176.600 0.027 0.000 1.040 613 E CA 1.190 57.630 56.400 0.066 0.000 0.809 613 E CB -2.147 27.571 29.700 0.030 0.000 1.389 613 E HN 0.498 nan 8.360 nan 0.000 0.413 614 T N -1.903 112.689 114.554 0.063 0.000 2.894 614 T HA 0.727 5.080 4.350 0.004 0.000 0.309 614 T C 0.367 175.120 174.700 0.089 0.000 1.208 614 T CA -0.112 61.987 62.100 -0.002 0.000 1.016 614 T CB 1.241 70.006 68.868 -0.170 0.000 1.192 614 T HN 0.439 nan 8.240 nan 0.000 0.491 615 A N 1.919 124.779 122.820 0.068 0.000 2.261 615 A HA 0.208 4.530 4.320 0.004 0.000 0.208 615 A C 1.625 179.225 177.584 0.027 0.000 1.223 615 A CA 1.143 53.258 52.037 0.129 0.000 0.833 615 A CB -0.702 18.369 19.000 0.119 0.000 0.830 615 A HN 0.826 nan 8.150 nan 0.000 0.483 616 T N -1.040 113.567 114.554 0.088 0.000 2.953 616 T HA 0.020 4.372 4.350 0.004 0.000 0.247 616 T C 0.508 175.311 174.700 0.172 0.000 1.029 616 T CA 0.373 62.589 62.100 0.194 0.000 1.144 616 T CB -0.191 68.924 68.868 0.413 0.000 0.870 616 T HN 0.355 nan 8.240 nan 0.000 0.446 617 D N 2.952 123.504 120.400 0.254 0.000 2.416 617 D HA 0.145 4.787 4.640 0.004 0.000 0.240 617 D C 0.741 177.033 176.300 -0.014 0.000 1.250 617 D CA -0.181 53.893 54.000 0.122 0.000 0.967 617 D CB 0.217 41.136 40.800 0.197 0.000 1.059 617 D HN 0.318 nan 8.370 nan 0.000 0.512 618 S N 1.567 117.170 115.700 -0.162 0.000 2.743 618 S HA 0.295 4.767 4.470 0.004 0.000 0.230 618 S C 0.725 175.360 174.600 0.058 0.000 0.950 618 S CA -0.715 57.293 58.200 -0.320 0.000 0.976 618 S CB 0.061 63.031 63.200 -0.384 0.000 0.779 618 S HN 0.374 nan 8.310 nan 0.000 0.487 619 A N 2.856 125.706 122.820 0.050 0.000 2.450 619 A HA 0.623 4.945 4.320 0.004 0.000 0.255 619 A C -1.991 175.638 177.584 0.074 0.000 1.096 619 A CA -1.347 50.711 52.037 0.035 0.000 0.778 619 A CB 0.017 19.013 19.000 -0.006 0.000 1.031 619 A HN 0.405 nan 8.150 nan 0.000 0.494 620 P HA 0.216 nan 4.420 nan 0.000 0.312 620 P C 0.793 178.099 177.300 0.011 0.000 1.307 620 P CA -0.528 62.592 63.100 0.034 0.000 0.738 620 P CB 0.500 32.193 31.700 -0.011 0.000 1.422 621 L N -0.230 120.983 121.223 -0.017 0.000 2.408 621 L HA 0.047 4.389 4.340 0.004 0.000 0.215 621 L C 1.716 178.564 176.870 -0.037 0.000 1.081 621 L CA 1.171 55.997 54.840 -0.024 0.000 0.840 621 L CB -1.052 40.985 42.059 -0.036 0.000 1.002 621 L HN 0.247 nan 8.230 nan 0.000 0.468 622 E N -0.522 119.649 120.200 -0.050 0.000 2.511 622 E HA -0.131 4.221 4.350 0.004 0.000 0.196 622 E C 0.538 177.112 176.600 -0.044 0.000 1.066 622 E CA 0.055 56.425 56.400 -0.049 0.000 0.871 622 E CB -0.634 29.030 29.700 -0.059 0.000 0.863 622 E HN 0.360 nan 8.360 nan 0.000 0.520 623 M N 1.895 121.470 119.600 -0.042 0.000 2.080 623 M HA 0.198 4.680 4.480 0.004 0.000 0.350 623 M C -1.132 175.145 176.300 -0.038 0.000 1.173 623 M CA -0.824 54.449 55.300 -0.045 0.000 1.052 623 M CB 1.708 34.277 32.600 -0.051 0.000 1.577 623 M HN -0.119 nan 8.290 nan 0.000 0.455 624 V N 6.634 126.531 119.914 -0.028 0.000 2.357 624 V HA 0.566 4.688 4.120 0.004 0.000 0.284 624 V C -0.763 175.313 176.094 -0.029 0.000 1.018 624 V CA -0.116 62.163 62.300 -0.035 0.000 0.841 624 V CB 1.131 32.925 31.823 -0.049 0.000 0.991 624 V HN 0.978 nan 8.190 nan 0.000 0.437 625 E N 3.902 124.068 120.200 -0.058 0.000 2.232 625 E HA 0.770 5.122 4.350 0.004 0.000 0.264 625 E C -1.049 175.507 176.600 -0.073 0.000 0.973 625 E CA -0.811 55.545 56.400 -0.073 0.000 0.849 625 E CB 2.270 31.890 29.700 -0.133 0.000 1.198 625 E HN 0.732 nan 8.360 nan 0.000 0.407 626 T N 0.664 115.176 114.554 -0.069 0.000 3.798 626 T HA 0.158 4.510 4.350 0.004 0.000 0.339 626 T C -0.584 174.103 174.700 -0.021 0.000 0.967 626 T CA -0.712 61.362 62.100 -0.042 0.000 1.046 626 T CB 1.400 70.197 68.868 -0.120 0.000 1.092 626 T HN 0.243 nan 8.240 nan 0.000 0.465 627 T N 3.362 117.923 114.554 0.011 0.000 2.869 627 T HA 0.539 4.891 4.350 0.004 0.000 0.295 627 T C 0.180 174.919 174.700 0.066 0.000 0.987 627 T CA -0.255 61.866 62.100 0.037 0.000 1.109 627 T CB 0.041 68.931 68.868 0.036 0.000 0.932 627 T HN 0.481 nan 8.240 nan 0.000 0.518 628 I N 3.786 124.378 120.570 0.036 0.000 2.537 628 I HA 0.259 4.431 4.170 0.004 0.000 0.276 628 I C 0.307 176.415 176.117 -0.014 0.000 1.063 628 I CA -0.613 60.703 61.300 0.026 0.000 1.144 628 I CB 1.337 39.367 38.000 0.049 0.000 1.252 628 I HN 0.502 nan 8.210 nan 0.000 0.480 629 Q N 5.628 125.413 119.800 -0.025 0.000 2.311 629 Q HA 0.394 4.736 4.340 0.004 0.000 0.272 629 Q C -1.228 174.736 176.000 -0.059 0.000 1.012 629 Q CA 0.187 55.950 55.803 -0.067 0.000 0.891 629 Q CB 1.022 29.725 28.738 -0.058 0.000 1.201 629 Q HN 0.594 nan 8.270 nan 0.000 0.391 630 L N 3.826 125.011 121.223 -0.064 0.000 2.346 630 L HA 0.487 4.829 4.340 0.004 0.000 0.274 630 L C -0.211 176.640 176.870 -0.032 0.000 1.007 630 L CA -0.837 53.977 54.840 -0.044 0.000 0.818 630 L CB 1.848 43.894 42.059 -0.021 0.000 1.284 630 L HN 0.551 nan 8.230 nan 0.000 0.424 631 K N 2.406 122.793 120.400 -0.023 0.000 2.154 631 K HA 0.323 4.645 4.320 0.004 0.000 0.264 631 K C -2.298 174.384 176.600 0.137 0.000 1.008 631 K CA -1.625 54.694 56.287 0.053 0.000 0.937 631 K CB 0.586 33.090 32.500 0.007 0.000 1.002 631 K HN 0.251 nan 8.250 nan 0.000 0.469 632 P HA -0.054 nan 4.420 nan 0.000 0.264 632 P C 0.094 177.478 177.300 0.139 0.000 1.183 632 P CA 0.097 63.263 63.100 0.111 0.000 0.763 632 P CB 0.454 32.213 31.700 0.098 0.000 0.807 633 Q N 2.062 121.914 119.800 0.088 0.000 2.561 633 Q HA -0.173 4.169 4.340 0.004 0.000 0.217 633 Q C 1.564 177.598 176.000 0.057 0.000 0.980 633 Q CA 0.859 56.713 55.803 0.085 0.000 0.927 633 Q CB -0.438 28.329 28.738 0.049 0.000 0.980 633 Q HN 0.659 nan 8.270 nan 0.000 0.525 634 E N 1.048 121.272 120.200 0.041 0.000 2.284 634 E HA -0.219 4.133 4.350 0.004 0.000 0.200 634 E C -0.046 176.489 176.600 -0.107 0.000 1.008 634 E CA 1.114 57.500 56.400 -0.024 0.000 0.829 634 E CB 0.164 29.846 29.700 -0.029 0.000 0.744 634 E HN 0.443 nan 8.360 nan 0.000 0.491 635 Q N -3.224 116.526 119.800 -0.084 0.000 2.482 635 Q HA 0.274 4.617 4.340 0.004 0.000 0.286 635 Q C -0.819 175.223 176.000 0.071 0.000 1.007 635 Q CA -0.671 54.942 55.803 -0.316 0.000 0.801 635 Q CB 0.693 28.729 28.738 -1.170 0.000 1.455 635 Q HN 0.193 nan 8.270 nan 0.000 0.398 636 W N -0.954 120.346 121.300 0.000 0.000 0.989 636 W HA -0.117 4.545 4.660 0.004 0.000 0.241 636 W C -0.205 176.314 176.519 -0.001 0.000 0.997 636 W CA 0.347 57.692 57.345 -0.000 0.000 0.376 636 W CB -0.733 28.727 29.460 -0.000 0.000 2.006 636 W HN 0.813 nan 8.180 nan 0.000 1.038 637 R N -0.051 120.539 120.500 0.150 0.000 2.647 637 R HA 0.386 4.728 4.340 0.004 0.000 0.260 637 R C -2.658 173.672 176.300 0.049 0.000 1.154 637 R CA -0.972 55.184 56.100 0.094 0.000 1.029 637 R CB 0.660 31.016 30.300 0.094 0.000 1.262 637 R HN -0.375 nan 8.270 nan 0.000 0.437 638 P HA 0.311 nan 4.420 nan 0.000 0.264 638 P C 0.440 177.750 177.300 0.016 0.000 1.229 638 P CA 0.966 64.078 63.100 0.019 0.000 0.780 638 P CB 0.948 32.657 31.700 0.016 0.000 0.808 639 G N 3.681 112.488 108.800 0.012 0.000 2.728 639 G HA2 -0.305 3.657 3.960 0.004 0.000 0.269 639 G HA3 -0.305 3.657 3.960 0.004 0.000 0.269 639 G C 0.076 174.975 174.900 -0.001 0.000 1.334 639 G CA -0.068 45.034 45.100 0.003 0.000 0.974 639 G HN 0.528 nan 8.290 nan 0.000 0.550 640 M N 0.975 120.570 119.600 -0.007 0.000 2.516 640 M HA -0.182 4.300 4.480 0.004 0.000 0.183 640 M C 0.785 177.073 176.300 -0.020 0.000 0.928 640 M CA 1.083 56.376 55.300 -0.012 0.000 0.573 640 M CB -2.130 30.472 32.600 0.005 0.000 1.126 640 M HN 1.449 nan 8.290 nan 0.000 0.859 641 T N 0.137 114.670 114.554 -0.035 0.000 2.934 641 T HA 0.042 4.394 4.350 0.004 0.000 0.321 641 T C 1.113 175.786 174.700 -0.045 0.000 1.080 641 T CA 0.664 62.736 62.100 -0.047 0.000 1.132 641 T CB 0.542 69.373 68.868 -0.062 0.000 1.039 641 T HN 0.551 nan 8.240 nan 0.000 0.543 642 M N 2.781 122.356 119.600 -0.042 0.000 2.413 642 M HA -0.133 4.349 4.480 0.004 0.000 0.258 642 M C 1.144 177.408 176.300 -0.060 0.000 1.081 642 M CA 1.965 57.241 55.300 -0.040 0.000 1.047 642 M CB -0.426 32.154 32.600 -0.034 0.000 1.390 642 M HN 0.672 nan 8.290 nan 0.000 0.438 643 D N -0.772 119.585 120.400 -0.072 0.000 2.333 643 D HA -0.010 4.632 4.640 0.004 0.000 0.208 643 D C 1.796 178.036 176.300 -0.101 0.000 0.984 643 D CA 0.695 54.640 54.000 -0.092 0.000 0.873 643 D CB 0.017 40.764 40.800 -0.088 0.000 0.935 643 D HN 0.480 nan 8.370 nan 0.000 0.521 644 K N 0.100 120.451 120.400 -0.081 0.000 2.211 644 K HA 0.023 4.345 4.320 0.004 0.000 0.201 644 K C 1.749 178.297 176.600 -0.087 0.000 1.052 644 K CA 0.273 56.513 56.287 -0.078 0.000 0.973 644 K CB 0.238 32.706 32.500 -0.053 0.000 0.766 644 K HN -0.100 nan 8.250 nan 0.000 0.466 645 I N 2.207 122.731 120.570 -0.077 0.000 2.090 645 I HA -0.298 3.874 4.170 0.004 0.000 0.236 645 I C 2.316 178.339 176.117 -0.156 0.000 1.064 645 I CA 1.223 62.477 61.300 -0.077 0.000 1.324 645 I CB -0.880 37.098 38.000 -0.038 0.000 1.044 645 I HN 0.338 nan 8.210 nan 0.000 0.399 646 I N 0.614 121.067 120.570 -0.195 0.000 2.113 646 I HA -0.389 3.783 4.170 0.004 0.000 0.242 646 I C 2.490 178.314 176.117 -0.488 0.000 1.064 646 I CA 2.096 63.164 61.300 -0.387 0.000 1.320 646 I CB -0.313 37.504 38.000 -0.305 0.000 1.028 646 I HN 0.410 nan 8.210 nan 0.000 0.406 647 E N 0.986 121.003 120.200 -0.306 0.000 2.007 647 E HA -0.365 3.987 4.350 0.004 0.000 0.203 647 E C 2.165 178.628 176.600 -0.228 0.000 1.020 647 E CA 2.110 58.357 56.400 -0.255 0.000 0.845 647 E CB -0.559 29.045 29.700 -0.161 0.000 0.779 647 E HN 0.622 nan 8.360 nan 0.000 0.466 648 E N 0.244 120.351 120.200 -0.156 0.000 2.086 648 E HA -0.257 4.095 4.350 0.004 0.000 0.205 648 E C 2.342 178.870 176.600 -0.121 0.000 1.027 648 E CA 1.551 57.887 56.400 -0.106 0.000 0.830 648 E CB -0.172 29.487 29.700 -0.068 0.000 0.751 648 E HN 0.306 nan 8.360 nan 0.000 0.456 649 L N 1.519 122.636 121.223 -0.176 0.000 1.956 649 L HA -0.235 4.107 4.340 0.004 0.000 0.216 649 L C 2.614 179.328 176.870 -0.259 0.000 1.073 649 L CA 2.252 56.990 54.840 -0.171 0.000 0.762 649 L CB -1.528 40.384 42.059 -0.245 0.000 0.889 649 L HN 0.370 nan 8.230 nan 0.000 0.433 650 D N -0.127 119.867 120.400 -0.677 0.000 2.254 650 D HA -0.262 4.380 4.640 0.004 0.000 0.201 650 D C 1.792 178.030 176.300 -0.103 0.000 0.998 650 D CA 1.284 54.956 54.000 -0.547 0.000 0.885 650 D CB -0.018 40.405 40.800 -0.628 0.000 0.915 650 D HN 0.259 nan 8.370 nan 0.000 0.460 651 N N -0.930 117.714 118.700 -0.093 0.000 2.409 651 N HA -0.015 4.727 4.740 0.004 0.000 0.174 651 N C 0.764 176.295 175.510 0.035 0.000 1.037 651 N CA 0.680 53.720 53.050 -0.017 0.000 0.898 651 N CB 0.026 38.489 38.487 -0.039 0.000 1.010 651 N HN 0.074 nan 8.380 nan 0.000 0.445 652 T N -0.483 114.099 114.554 0.047 0.000 3.427 652 T HA 0.071 4.424 4.350 0.004 0.000 0.256 652 T C 0.505 175.281 174.700 0.126 0.000 1.172 652 T CA 0.341 62.486 62.100 0.076 0.000 1.018 652 T CB 0.064 68.981 68.868 0.081 0.000 0.981 652 T HN -0.112 nan 8.240 nan 0.000 0.555 653 V N 1.535 121.546 119.914 0.161 0.000 3.829 653 V HA 0.266 4.388 4.120 0.004 0.000 0.409 653 V C -0.131 176.072 176.094 0.183 0.000 1.319 653 V CA -0.593 61.829 62.300 0.203 0.000 1.906 653 V CB 0.825 32.870 31.823 0.371 0.000 0.812 653 V HN 0.094 nan 8.190 nan 0.000 0.520 654 R N 1.835 122.400 120.500 0.108 0.000 3.463 654 R HA 0.467 4.809 4.340 0.004 0.000 0.303 654 R C -0.638 175.698 176.300 0.060 0.000 1.370 654 R CA -0.283 55.867 56.100 0.083 0.000 1.524 654 R CB 0.428 30.759 30.300 0.052 0.000 1.389 654 R HN 0.412 nan 8.270 nan 0.000 0.640 655 L N 1.524 122.787 121.223 0.067 0.000 2.469 655 L HA 0.465 4.808 4.340 0.004 0.000 0.253 655 L C -1.648 175.244 176.870 0.036 0.000 1.143 655 L CA -1.591 53.274 54.840 0.042 0.000 0.804 655 L CB 0.155 42.234 42.059 0.034 0.000 1.214 655 L HN 0.254 nan 8.230 nan 0.000 0.476 656 P HA 0.237 nan 4.420 nan 0.000 0.277 656 P C 0.504 177.810 177.300 0.011 0.000 1.271 656 P CA -0.184 62.923 63.100 0.012 0.000 0.795 656 P CB 0.414 32.116 31.700 0.002 0.000 1.101 657 G N -1.038 107.763 108.800 0.001 0.000 2.219 657 G HA2 -0.251 3.711 3.960 0.004 0.000 0.271 657 G HA3 -0.251 3.711 3.960 0.004 0.000 0.271 657 G C -0.210 174.690 174.900 0.001 0.000 0.991 657 G CA 0.381 45.478 45.100 -0.006 0.000 0.685 657 G HN 0.439 nan 8.290 nan 0.000 0.531 658 L N 0.223 121.458 121.223 0.019 0.000 2.287 658 L HA 0.696 5.038 4.340 0.004 0.000 0.287 658 L C 0.423 177.309 176.870 0.026 0.000 1.022 658 L CA -0.444 54.417 54.840 0.036 0.000 0.814 658 L CB 1.856 43.968 42.059 0.089 0.000 1.217 658 L HN 0.200 nan 8.230 nan 0.000 0.420 659 A N 3.781 126.599 122.820 -0.003 0.000 2.271 659 A HA 0.641 4.963 4.320 0.004 0.000 0.317 659 A C -0.673 176.887 177.584 -0.040 0.000 1.245 659 A CA -0.781 51.246 52.037 -0.016 0.000 0.857 659 A CB 0.408 19.385 19.000 -0.038 0.000 1.175 659 A HN 0.729 nan 8.150 nan 0.000 0.512 660 N N 2.617 121.302 118.700 -0.025 0.000 2.408 660 N HA 0.519 5.261 4.740 0.004 0.000 0.280 660 N C -1.197 174.262 175.510 -0.086 0.000 1.002 660 N CA -0.242 52.708 53.050 -0.166 0.000 0.907 660 N CB 1.596 40.066 38.487 -0.028 0.000 1.161 660 N HN 0.520 nan 8.380 nan 0.000 0.488 661 L N 1.500 122.561 121.223 -0.270 0.000 2.307 661 L HA 0.521 4.863 4.340 0.004 0.000 0.284 661 L C -0.932 175.818 176.870 -0.200 0.000 1.023 661 L CA -0.749 54.033 54.840 -0.096 0.000 0.810 661 L CB 1.062 43.043 42.059 -0.130 0.000 1.231 661 L HN 0.432 nan 8.230 nan 0.000 0.423 662 W N 4.219 125.388 121.300 -0.219 0.000 2.532 662 W HA 0.681 5.343 4.660 0.004 0.000 0.321 662 W C -0.762 175.690 176.519 -0.112 0.000 1.037 662 W CA -0.742 56.498 57.345 -0.175 0.000 1.220 662 W CB 1.701 31.077 29.460 -0.139 0.000 1.361 662 W HN 0.129 nan 8.180 nan 0.000 0.468 663 V N 1.149 121.103 119.914 0.068 0.000 3.147 663 V HA 0.674 4.796 4.120 0.004 0.000 0.306 663 V C -2.714 173.396 176.094 0.027 0.000 1.209 663 V CA -3.213 59.108 62.300 0.035 0.000 1.023 663 V CB 1.700 33.515 31.823 -0.013 0.000 1.059 663 V HN 0.178 nan 8.190 nan 0.000 0.435 664 P HA 0.307 nan 4.420 nan 0.000 0.280 664 P C -2.334 174.980 177.300 0.025 0.000 1.278 664 P CA -0.848 62.268 63.100 0.027 0.000 0.787 664 P CB -0.034 31.678 31.700 0.019 0.000 1.163 665 P HA 0.028 nan 4.420 nan 0.000 0.212 665 P C 1.443 178.738 177.300 -0.009 0.000 1.163 665 P CA 0.777 63.926 63.100 0.081 0.000 0.892 665 P CB -0.355 31.554 31.700 0.347 0.000 0.766 666 I N -0.024 120.561 120.570 0.026 0.000 2.113 666 I HA -0.276 3.896 4.170 0.004 0.000 0.242 666 I C 2.692 178.792 176.117 -0.028 0.000 1.057 666 I CA 1.712 63.009 61.300 -0.006 0.000 1.314 666 I CB -1.035 36.977 38.000 0.020 0.000 1.022 666 I HN -0.158 nan 8.210 nan 0.000 0.408 667 R N 0.734 121.223 120.500 -0.018 0.000 2.094 667 R HA -0.236 4.106 4.340 0.004 0.000 0.239 667 R C 2.203 178.474 176.300 -0.050 0.000 1.137 667 R CA 2.042 58.126 56.100 -0.027 0.000 0.943 667 R CB -0.821 29.468 30.300 -0.018 0.000 0.850 667 R HN 0.386 nan 8.270 nan 0.000 0.433 668 N N -0.023 118.638 118.700 -0.065 0.000 2.060 668 N HA -0.194 4.549 4.740 0.004 0.000 0.195 668 N C 1.543 176.978 175.510 -0.125 0.000 1.028 668 N CA 1.715 54.706 53.050 -0.098 0.000 0.861 668 N CB -0.046 38.369 38.487 -0.120 0.000 1.029 668 N HN 0.147 nan 8.380 nan 0.000 0.428 669 R N 0.345 120.757 120.500 -0.148 0.000 2.061 669 R HA -0.000 4.342 4.340 0.004 0.000 0.230 669 R C 2.378 178.630 176.300 -0.079 0.000 1.140 669 R CA 1.030 57.032 56.100 -0.164 0.000 0.940 669 R CB -1.061 29.124 30.300 -0.191 0.000 0.839 669 R HN 0.400 nan 8.270 nan 0.000 0.429 670 I N 1.996 122.536 120.570 -0.050 0.000 2.208 670 I HA -0.277 3.895 4.170 0.004 0.000 0.245 670 I C 2.286 178.384 176.117 -0.032 0.000 1.097 670 I CA 1.813 63.097 61.300 -0.026 0.000 1.363 670 I CB -0.607 37.383 38.000 -0.016 0.000 1.051 670 I HN 0.284 nan 8.210 nan 0.000 0.413 671 D N 0.596 120.973 120.400 -0.038 0.000 2.249 671 D HA -0.183 4.459 4.640 0.004 0.000 0.205 671 D C 2.095 178.372 176.300 -0.039 0.000 0.962 671 D CA 0.614 54.595 54.000 -0.033 0.000 0.860 671 D CB -0.202 40.581 40.800 -0.029 0.000 0.955 671 D HN 0.152 nan 8.370 nan 0.000 0.505 672 M N 0.270 119.837 119.600 -0.054 0.000 2.426 672 M HA -0.035 4.447 4.480 0.004 0.000 0.261 672 M C 1.539 177.813 176.300 -0.043 0.000 1.068 672 M CA 0.967 56.234 55.300 -0.054 0.000 1.066 672 M CB -0.167 32.379 32.600 -0.090 0.000 1.399 672 M HN 0.203 nan 8.290 nan 0.000 0.449 673 L N -3.210 117.966 121.223 -0.078 0.000 2.948 673 L HA 0.145 4.487 4.340 0.004 0.000 0.259 673 L C 1.112 177.850 176.870 -0.219 0.000 1.136 673 L CA -0.105 54.625 54.840 -0.182 0.000 0.959 673 L CB 0.007 41.993 42.059 -0.121 0.000 1.370 673 L HN -0.178 nan 8.230 nan 0.000 0.552 674 S N 1.878 117.512 115.700 -0.110 0.000 3.844 674 S HA -0.009 4.463 4.470 0.004 0.000 0.193 674 S C 0.953 175.512 174.600 -0.070 0.000 1.255 674 S CA 0.202 58.352 58.200 -0.084 0.000 1.028 674 S CB -0.811 62.367 63.200 -0.036 0.000 1.436 674 S HN 0.425 nan 8.310 nan 0.000 0.442 675 T N 0.920 115.380 114.554 -0.156 0.000 2.709 675 T HA 0.386 4.738 4.350 0.004 0.000 0.345 675 T C 1.235 175.962 174.700 0.045 0.000 1.086 675 T CA 1.066 63.120 62.100 -0.077 0.000 1.084 675 T CB 0.145 68.822 68.868 -0.318 0.000 1.000 675 T HN 0.783 nan 8.240 nan 0.000 0.549 676 G N 1.952 110.875 108.800 0.205 0.000 2.680 676 G HA2 0.046 4.008 3.960 0.004 0.000 0.222 676 G HA3 0.046 4.008 3.960 0.004 0.000 0.222 676 G C -0.878 174.210 174.900 0.313 0.000 1.460 676 G CA -0.168 45.054 45.100 0.204 0.000 1.275 676 G HN 1.357 nan 8.290 nan 0.000 0.506 677 I N 0.778 121.492 120.570 0.240 0.000 2.590 677 I HA 0.442 4.614 4.170 0.004 0.000 0.283 677 I C 0.712 176.959 176.117 0.217 0.000 1.154 677 I CA -0.325 61.170 61.300 0.325 0.000 1.067 677 I CB 1.645 39.749 38.000 0.173 0.000 1.243 677 I HN 0.692 nan 8.210 nan 0.000 0.451 678 K N 2.744 123.260 120.400 0.194 0.000 2.026 678 K HA 0.008 4.330 4.320 0.004 0.000 0.208 678 K C 0.775 177.440 176.600 0.108 0.000 1.048 678 K CA 1.223 57.567 56.287 0.094 0.000 0.929 678 K CB 0.141 32.660 32.500 0.030 0.000 0.713 678 K HN 0.675 nan 8.250 nan 0.000 0.439 679 S N 1.717 117.519 115.700 0.169 0.000 2.540 679 S HA -0.044 4.428 4.470 0.004 0.000 0.272 679 S C -1.887 172.792 174.600 0.132 0.000 1.357 679 S CA -0.693 57.601 58.200 0.156 0.000 1.011 679 S CB 0.668 64.026 63.200 0.263 0.000 0.852 679 S HN 0.295 nan 8.310 nan 0.000 0.535 680 P HA 0.244 nan 4.420 nan 0.000 0.230 680 P C 0.033 177.365 177.300 0.052 0.000 1.168 680 P CA 0.796 63.991 63.100 0.159 0.000 0.793 680 P CB 0.216 32.015 31.700 0.165 0.000 0.851 681 I N -3.261 117.292 120.570 -0.029 0.000 3.600 681 I HA 0.692 4.864 4.170 0.004 0.000 0.302 681 I C -0.485 175.608 176.117 -0.040 0.000 1.175 681 I CA -1.190 60.057 61.300 -0.088 0.000 1.059 681 I CB 1.432 39.287 38.000 -0.242 0.000 1.359 681 I HN -0.147 nan 8.210 nan 0.000 0.468 682 G N 2.204 110.964 108.800 -0.066 0.000 2.249 682 G HA2 0.232 4.194 3.960 0.004 0.000 0.252 682 G HA3 0.232 4.194 3.960 0.004 0.000 0.252 682 G C -1.202 173.717 174.900 0.032 0.000 1.697 682 G CA -0.949 44.133 45.100 -0.031 0.000 0.916 682 G HN 0.786 nan 8.290 nan 0.000 0.725 683 I N -0.204 120.406 120.570 0.067 0.000 2.308 683 I HA 0.530 4.702 4.170 0.004 0.000 0.293 683 I C 0.447 176.692 176.117 0.214 0.000 1.078 683 I CA -0.655 60.790 61.300 0.242 0.000 1.292 683 I CB 0.676 38.808 38.000 0.220 0.000 1.423 683 I HN 0.228 nan 8.210 nan 0.000 0.493 684 K N 5.063 125.574 120.400 0.185 0.000 2.295 684 K HA 0.487 4.809 4.320 0.004 0.000 0.270 684 K C -0.602 176.052 176.600 0.090 0.000 1.011 684 K CA -0.485 55.867 56.287 0.107 0.000 0.953 684 K CB 2.070 34.510 32.500 -0.100 0.000 0.956 684 K HN 0.590 nan 8.250 nan 0.000 0.477 685 V N 1.957 121.943 119.914 0.120 0.000 2.509 685 V HA 0.261 4.383 4.120 0.004 0.000 0.289 685 V C -1.094 175.049 176.094 0.082 0.000 1.026 685 V CA -0.266 62.083 62.300 0.082 0.000 0.872 685 V CB 1.554 33.436 31.823 0.099 0.000 1.017 685 V HN 0.747 nan 8.190 nan 0.000 0.436 686 S N 3.958 119.678 115.700 0.033 0.000 2.722 686 S HA 0.940 5.412 4.470 0.004 0.000 0.292 686 S C 0.530 175.151 174.600 0.035 0.000 1.135 686 S CA 0.152 58.374 58.200 0.038 0.000 1.003 686 S CB 1.646 64.844 63.200 -0.003 0.000 1.067 686 S HN 2.002 nan 8.310 nan 0.000 0.546 687 G N 0.133 108.960 108.800 0.045 0.000 2.519 687 G HA2 0.213 4.175 3.960 0.004 0.000 0.229 687 G HA3 0.213 4.175 3.960 0.004 0.000 0.229 687 G C 0.123 175.048 174.900 0.041 0.000 1.333 687 G CA 0.045 45.165 45.100 0.034 0.000 0.939 687 G HN 0.880 nan 8.290 nan 0.000 0.501 688 T N -2.595 111.992 114.554 0.056 0.000 5.503 688 T HA -0.135 4.217 4.350 0.004 0.000 0.269 688 T C 0.209 174.939 174.700 0.051 0.000 2.213 688 T CA 1.617 63.747 62.100 0.050 0.000 3.777 688 T CB -1.568 67.317 68.868 0.028 0.000 0.512 688 T HN 2.127 nan 8.240 nan 0.000 1.050 689 V N 0.996 120.946 119.914 0.060 0.000 3.088 689 V HA 0.468 4.590 4.120 0.004 0.000 0.272 689 V C 0.368 176.499 176.094 0.061 0.000 1.611 689 V CA -0.420 61.913 62.300 0.056 0.000 0.990 689 V CB 1.741 33.585 31.823 0.035 0.000 1.234 689 V HN 0.103 nan 8.190 nan 0.000 0.453 690 L N 4.470 125.732 121.223 0.064 0.000 2.042 690 L HA -0.034 4.308 4.340 0.004 0.000 0.210 690 L C 2.181 179.080 176.870 0.048 0.000 1.076 690 L CA 3.293 58.170 54.840 0.062 0.000 0.749 690 L CB -0.953 41.143 42.059 0.063 0.000 0.893 690 L HN 1.023 nan 8.230 nan 0.000 0.432 691 A N -0.123 122.721 122.820 0.040 0.000 1.940 691 A HA -0.234 4.088 4.320 0.004 0.000 0.219 691 A C 1.813 179.416 177.584 0.032 0.000 1.176 691 A CA 1.833 53.889 52.037 0.032 0.000 0.631 691 A CB -0.548 18.467 19.000 0.026 0.000 0.814 691 A HN 0.534 nan 8.150 nan 0.000 0.446 692 D N 0.226 120.647 120.400 0.035 0.000 2.084 692 D HA -0.107 4.536 4.640 0.004 0.000 0.196 692 D C 1.585 177.909 176.300 0.040 0.000 0.985 692 D CA 1.156 55.176 54.000 0.034 0.000 0.826 692 D CB -0.286 40.534 40.800 0.034 0.000 0.978 692 D HN 0.393 nan 8.370 nan 0.000 0.456 693 I N 0.736 121.336 120.570 0.050 0.000 3.564 693 I HA -0.016 4.156 4.170 0.004 0.000 0.294 693 I C 1.480 177.628 176.117 0.051 0.000 1.289 693 I CA 0.583 61.919 61.300 0.060 0.000 1.325 693 I CB -0.820 37.228 38.000 0.081 0.000 1.039 693 I HN -0.086 nan 8.210 nan 0.000 0.474 694 D N 1.607 122.031 120.400 0.041 0.000 2.290 694 D HA 0.044 4.687 4.640 0.004 0.000 0.224 694 D C 2.205 178.521 176.300 0.026 0.000 0.967 694 D CA 1.326 55.344 54.000 0.031 0.000 0.893 694 D CB 0.316 41.133 40.800 0.029 0.000 1.037 694 D HN 0.088 nan 8.370 nan 0.000 0.477 695 A N 0.093 122.929 122.820 0.026 0.000 1.933 695 A HA -0.113 4.209 4.320 0.004 0.000 0.218 695 A C 2.107 179.705 177.584 0.024 0.000 1.175 695 A CA 1.630 53.680 52.037 0.022 0.000 0.628 695 A CB -0.626 18.386 19.000 0.020 0.000 0.814 695 A HN 0.266 nan 8.150 nan 0.000 0.444 696 M N -0.128 119.490 119.600 0.031 0.000 2.084 696 M HA -0.066 4.416 4.480 0.004 0.000 0.259 696 M C 2.455 178.777 176.300 0.036 0.000 1.072 696 M CA 1.628 56.950 55.300 0.035 0.000 1.107 696 M CB -1.215 31.411 32.600 0.044 0.000 1.299 696 M HN 0.433 nan 8.290 nan 0.000 0.413 697 A N 0.003 122.847 122.820 0.040 0.000 2.023 697 A HA -0.266 4.056 4.320 0.004 0.000 0.223 697 A C 1.947 179.546 177.584 0.026 0.000 1.180 697 A CA 2.204 54.263 52.037 0.037 0.000 0.659 697 A CB -0.772 18.247 19.000 0.032 0.000 0.817 697 A HN 0.614 nan 8.150 nan 0.000 0.466 698 E N -0.896 119.316 120.200 0.021 0.000 2.024 698 E HA -0.146 4.206 4.350 0.004 0.000 0.190 698 E C 2.009 178.618 176.600 0.015 0.000 0.974 698 E CA 1.204 57.612 56.400 0.015 0.000 0.810 698 E CB -0.902 28.805 29.700 0.011 0.000 0.775 698 E HN 0.649 nan 8.360 nan 0.000 0.453 699 Q N 0.389 120.200 119.800 0.018 0.000 2.290 699 Q HA -0.097 4.245 4.340 0.004 0.000 0.211 699 Q C 1.907 177.918 176.000 0.018 0.000 0.991 699 Q CA 1.193 57.006 55.803 0.018 0.000 0.893 699 Q CB -0.164 28.586 28.738 0.020 0.000 0.913 699 Q HN 0.316 nan 8.270 nan 0.000 0.428 700 I N -1.229 119.354 120.570 0.021 0.000 3.790 700 I HA -0.061 4.111 4.170 0.004 0.000 0.305 700 I C 1.917 178.040 176.117 0.010 0.000 1.253 700 I CA 0.004 61.316 61.300 0.020 0.000 1.355 700 I CB 0.076 38.097 38.000 0.035 0.000 1.137 700 I HN 0.131 nan 8.210 nan 0.000 0.435 701 E N 2.079 122.285 120.200 0.010 0.000 2.208 701 E HA -0.317 4.035 4.350 0.004 0.000 0.202 701 E C 1.700 178.297 176.600 -0.004 0.000 1.014 701 E CA 2.146 58.548 56.400 0.003 0.000 0.819 701 E CB 0.023 29.726 29.700 0.004 0.000 0.735 701 E HN 0.722 nan 8.360 nan 0.000 0.469 702 E N -0.317 119.881 120.200 -0.002 0.000 2.208 702 E HA -0.090 4.262 4.350 0.004 0.000 0.193 702 E C 2.158 178.753 176.600 -0.010 0.000 0.988 702 E CA 0.973 57.369 56.400 -0.005 0.000 0.828 702 E CB -0.347 29.352 29.700 -0.002 0.000 0.763 702 E HN 0.064 nan 8.360 nan 0.000 0.478 703 V N 1.671 121.579 119.914 -0.010 0.000 2.546 703 V HA -0.277 3.845 4.120 0.004 0.000 0.254 703 V C 2.467 178.545 176.094 -0.027 0.000 1.076 703 V CA 1.833 64.124 62.300 -0.016 0.000 1.087 703 V CB -0.562 31.252 31.823 -0.015 0.000 0.674 703 V HN 0.520 nan 8.190 nan 0.000 0.470 704 A N -0.543 122.259 122.820 -0.030 0.000 2.067 704 A HA -0.123 4.200 4.320 0.004 0.000 0.217 704 A C 2.273 179.838 177.584 -0.032 0.000 1.156 704 A CA 1.450 53.463 52.037 -0.040 0.000 0.683 704 A CB -0.320 18.655 19.000 -0.042 0.000 0.808 704 A HN 0.469 nan 8.150 nan 0.000 0.455 705 R N -1.130 119.357 120.500 -0.023 0.000 2.066 705 R HA -0.011 4.331 4.340 0.004 0.000 0.224 705 R C 2.386 178.676 176.300 -0.017 0.000 1.122 705 R CA 1.941 58.030 56.100 -0.019 0.000 0.974 705 R CB -0.820 29.471 30.300 -0.014 0.000 0.871 705 R HN 0.407 nan 8.270 nan 0.000 0.435 706 T N -0.661 113.884 114.554 -0.015 0.000 2.732 706 T HA 0.068 4.420 4.350 0.004 0.000 0.261 706 T C 0.695 175.386 174.700 -0.015 0.000 1.040 706 T CA 0.833 62.926 62.100 -0.013 0.000 1.145 706 T CB -0.259 68.603 68.868 -0.009 0.000 0.866 706 T HN 0.006 nan 8.240 nan 0.000 0.427 707 V N 3.482 123.385 119.914 -0.018 0.000 3.332 707 V HA 0.125 4.247 4.120 0.004 0.000 0.305 707 V C -1.470 174.610 176.094 -0.024 0.000 1.114 707 V CA -0.931 61.356 62.300 -0.021 0.000 1.194 707 V CB 1.031 32.837 31.823 -0.028 0.000 1.027 707 V HN 0.446 nan 8.190 nan 0.000 0.492 708 P HA 0.104 nan 4.420 nan 0.000 0.286 708 P C 0.013 177.296 177.300 -0.029 0.000 1.577 708 P CA 0.350 63.437 63.100 -0.022 0.000 0.805 708 P CB -0.485 31.205 31.700 -0.017 0.000 1.706 709 G N 0.415 109.192 108.800 -0.038 0.000 2.502 709 G HA2 0.387 4.349 3.960 0.004 0.000 0.311 709 G HA3 0.387 4.349 3.960 0.004 0.000 0.311 709 G C -0.314 174.561 174.900 -0.042 0.000 1.270 709 G CA -0.539 44.531 45.100 -0.050 0.000 0.948 709 G HN 0.121 nan 8.290 nan 0.000 0.487 710 V N 1.898 121.792 119.914 -0.035 0.000 2.557 710 V HA 0.564 4.686 4.120 0.004 0.000 0.301 710 V C 0.435 176.509 176.094 -0.033 0.000 1.026 710 V CA 0.285 62.568 62.300 -0.027 0.000 1.137 710 V CB 0.268 32.079 31.823 -0.019 0.000 0.917 710 V HN 1.162 nan 8.190 nan 0.000 0.484 711 A N 4.464 127.267 122.820 -0.028 0.000 2.355 711 A HA 0.854 5.176 4.320 0.004 0.000 0.324 711 A C 0.125 177.696 177.584 -0.022 0.000 1.117 711 A CA -0.067 51.953 52.037 -0.029 0.000 0.785 711 A CB 2.097 21.081 19.000 -0.028 0.000 1.254 711 A HN 1.897 nan 8.150 nan 0.000 0.453 712 S N 0.365 116.053 115.700 -0.020 0.000 2.891 712 S HA 0.484 4.956 4.470 0.004 0.000 0.141 712 S C -0.648 173.948 174.600 -0.006 0.000 0.993 712 S CA 0.259 58.451 58.200 -0.014 0.000 1.051 712 S CB -0.499 62.692 63.200 -0.016 0.000 1.657 712 S HN 1.911 nan 8.310 nan 0.000 0.482 713 A N 3.215 126.032 122.820 -0.005 0.000 2.301 713 A HA 0.811 5.133 4.320 0.004 0.000 0.312 713 A C -0.244 177.346 177.584 0.010 0.000 1.182 713 A CA -0.469 51.572 52.037 0.006 0.000 0.826 713 A CB 0.450 19.450 19.000 -0.001 0.000 1.134 713 A HN 0.769 nan 8.150 nan 0.000 0.501 714 L N 3.089 124.326 121.223 0.024 0.000 2.556 714 L HA 0.331 4.673 4.340 0.004 0.000 0.243 714 L C 1.464 178.347 176.870 0.022 0.000 1.331 714 L CA -0.269 54.581 54.840 0.015 0.000 0.927 714 L CB 0.426 42.489 42.059 0.007 0.000 1.219 714 L HN 0.919 nan 8.230 nan 0.000 0.490 715 A N 2.028 124.858 122.820 0.018 0.000 1.886 715 A HA -0.234 4.088 4.320 0.004 0.000 0.240 715 A C 0.982 178.570 177.584 0.007 0.000 1.875 715 A CA 2.473 54.521 52.037 0.018 0.000 0.760 715 A CB -0.293 18.714 19.000 0.012 0.000 0.849 715 A HN 0.747 nan 8.150 nan 0.000 0.505 716 E N -1.825 118.371 120.200 -0.006 0.000 2.361 716 E HA 0.461 4.814 4.350 0.004 0.000 0.270 716 E C -0.209 176.371 176.600 -0.033 0.000 0.911 716 E CA -0.500 55.886 56.400 -0.023 0.000 0.818 716 E CB 0.999 30.686 29.700 -0.023 0.000 1.332 716 E HN 0.517 nan 8.360 nan 0.000 0.402 717 R N 2.420 122.893 120.500 -0.044 0.000 2.282 717 R HA 0.241 4.584 4.340 0.004 0.000 0.195 717 R C 1.132 177.387 176.300 -0.074 0.000 0.909 717 R CA 0.208 56.273 56.100 -0.058 0.000 1.039 717 R CB 0.190 30.451 30.300 -0.066 0.000 1.015 717 R HN 0.465 nan 8.270 nan 0.000 0.513 718 L N 1.136 122.312 121.223 -0.080 0.000 2.044 718 L HA -0.069 4.273 4.340 0.004 0.000 0.205 718 L C 1.731 178.556 176.870 -0.075 0.000 1.075 718 L CA 1.400 56.186 54.840 -0.090 0.000 0.747 718 L CB -0.484 41.514 42.059 -0.102 0.000 0.903 718 L HN 0.202 nan 8.230 nan 0.000 0.435 719 E N 1.318 121.480 120.200 -0.063 0.000 2.453 719 E HA -0.038 4.314 4.350 0.004 0.000 0.207 719 E C 0.734 177.281 176.600 -0.088 0.000 1.212 719 E CA 0.338 56.702 56.400 -0.060 0.000 0.959 719 E CB -0.868 28.806 29.700 -0.042 0.000 0.957 719 E HN 0.297 nan 8.360 nan 0.000 0.540 720 G N -0.225 108.520 108.800 -0.092 0.000 2.353 720 G HA2 0.562 4.525 3.960 0.004 0.000 0.284 720 G HA3 0.562 4.525 3.960 0.004 0.000 0.284 720 G C -0.088 174.730 174.900 -0.136 0.000 1.172 720 G CA -0.214 44.821 45.100 -0.109 0.000 0.854 720 G HN 0.610 nan 8.290 nan 0.000 0.485 721 G N 1.183 109.870 108.800 -0.187 0.000 2.282 721 G HA2 0.359 4.321 3.960 0.004 0.000 0.274 721 G HA3 0.359 4.321 3.960 0.004 0.000 0.274 721 G C -1.049 173.617 174.900 -0.390 0.000 1.718 721 G CA -1.090 43.868 45.100 -0.237 0.000 0.927 721 G HN 0.711 nan 8.290 nan 0.000 0.733 722 R N 0.826 121.156 120.500 -0.283 0.000 2.494 722 R HA 0.570 4.912 4.340 0.004 0.000 0.305 722 R C -0.814 175.432 176.300 -0.090 0.000 0.959 722 R CA -0.680 55.270 56.100 -0.249 0.000 0.864 722 R CB 1.891 32.125 30.300 -0.110 0.000 1.159 722 R HN 0.607 nan 8.270 nan 0.000 0.446 723 Y N 1.923 122.231 120.300 0.013 0.000 2.602 723 Y HA 0.511 5.063 4.550 0.004 0.000 0.330 723 Y C 0.700 176.612 175.900 0.021 0.000 1.114 723 Y CA -1.283 56.831 58.100 0.024 0.000 1.182 723 Y CB 2.048 40.525 38.460 0.027 0.000 1.305 723 Y HN 0.241 nan 8.280 nan 0.000 0.502 724 I N 2.732 123.427 120.570 0.208 0.000 2.503 724 I HA 0.151 4.323 4.170 0.004 0.000 0.277 724 I C -0.905 175.261 176.117 0.081 0.000 1.078 724 I CA -0.685 60.684 61.300 0.115 0.000 1.184 724 I CB 0.245 38.294 38.000 0.083 0.000 1.353 724 I HN 0.589 nan 8.210 nan 0.000 0.490 725 N N 4.218 122.968 118.700 0.084 0.000 2.407 725 N HA 0.059 4.801 4.740 0.004 0.000 0.250 725 N C -0.295 175.229 175.510 0.024 0.000 1.236 725 N CA 0.272 53.349 53.050 0.047 0.000 0.879 725 N CB 1.319 39.838 38.487 0.054 0.000 1.088 725 N HN 0.235 nan 8.380 nan 0.000 0.450 726 V N 2.786 122.703 119.914 0.005 0.000 2.315 726 V HA 0.098 4.220 4.120 0.004 0.000 0.265 726 V C -0.467 175.621 176.094 -0.010 0.000 1.019 726 V CA -0.717 61.582 62.300 -0.002 0.000 0.824 726 V CB 0.552 32.372 31.823 -0.005 0.000 1.072 726 V HN 0.481 nan 8.190 nan 0.000 0.448 727 E N 3.607 123.802 120.200 -0.008 0.000 1.932 727 E HA 0.258 4.610 4.350 0.004 0.000 0.275 727 E C -0.121 176.464 176.600 -0.025 0.000 1.159 727 E CA -0.666 55.726 56.400 -0.014 0.000 0.905 727 E CB 0.996 30.690 29.700 -0.009 0.000 1.059 727 E HN 0.354 nan 8.360 nan 0.000 0.400 728 I N 2.802 123.354 120.570 -0.030 0.000 2.752 728 I HA -0.162 4.010 4.170 0.004 0.000 0.289 728 I C 0.947 177.037 176.117 -0.046 0.000 1.197 728 I CA 0.080 61.354 61.300 -0.045 0.000 1.432 728 I CB -0.297 37.679 38.000 -0.040 0.000 1.359 728 I HN 0.261 nan 8.210 nan 0.000 0.571 729 N N 5.801 124.464 118.700 -0.063 0.000 2.411 729 N HA 0.103 4.845 4.740 0.004 0.000 0.259 729 N C 1.078 176.554 175.510 -0.058 0.000 1.103 729 N CA -0.037 52.979 53.050 -0.056 0.000 0.954 729 N CB 0.700 39.149 38.487 -0.064 0.000 1.085 729 N HN 0.321 nan 8.380 nan 0.000 0.485 730 R N 2.900 123.377 120.500 -0.038 0.000 2.113 730 R HA -0.144 4.198 4.340 0.004 0.000 0.231 730 R C 1.022 177.303 176.300 -0.030 0.000 1.129 730 R CA 1.662 57.744 56.100 -0.030 0.000 0.915 730 R CB -0.459 29.830 30.300 -0.019 0.000 0.837 730 R HN 0.741 nan 8.270 nan 0.000 0.430 731 E N 0.377 120.563 120.200 -0.023 0.000 2.114 731 E HA -0.248 4.104 4.350 0.004 0.000 0.199 731 E C 1.882 178.469 176.600 -0.022 0.000 1.008 731 E CA 1.141 57.533 56.400 -0.013 0.000 0.810 731 E CB -0.217 29.478 29.700 -0.007 0.000 0.739 731 E HN 0.275 nan 8.360 nan 0.000 0.456 732 K N 0.320 120.684 120.400 -0.060 0.000 2.555 732 K HA -0.021 4.301 4.320 0.004 0.000 0.193 732 K C 1.679 178.160 176.600 -0.197 0.000 1.032 732 K CA 0.585 56.796 56.287 -0.128 0.000 1.004 732 K CB 0.122 32.516 32.500 -0.177 0.000 0.804 732 K HN 0.072 nan 8.250 nan 0.000 0.496 733 A N 0.504 123.265 122.820 -0.099 0.000 1.887 733 A HA 0.137 4.460 4.320 0.004 0.000 0.212 733 A C 2.237 179.833 177.584 0.020 0.000 1.198 733 A CA 0.919 52.917 52.037 -0.065 0.000 0.628 733 A CB -0.523 18.452 19.000 -0.041 0.000 0.847 733 A HN 0.340 nan 8.150 nan 0.000 0.449 734 A N 0.415 123.250 122.820 0.025 0.000 1.873 734 A HA -0.236 4.086 4.320 0.004 0.000 0.218 734 A C 2.216 179.852 177.584 0.087 0.000 1.193 734 A CA 2.169 54.235 52.037 0.047 0.000 0.629 734 A CB -0.626 18.392 19.000 0.031 0.000 0.826 734 A HN 0.543 nan 8.150 nan 0.000 0.447 735 R N -1.390 119.183 120.500 0.122 0.000 2.097 735 R HA -0.205 4.137 4.340 0.004 0.000 0.236 735 R C 1.937 178.356 176.300 0.197 0.000 1.135 735 R CA 2.275 58.471 56.100 0.159 0.000 0.934 735 R CB -0.663 29.767 30.300 0.215 0.000 0.846 735 R HN 0.651 nan 8.270 nan 0.000 0.431 736 Y N -0.248 120.042 120.300 -0.016 0.000 2.651 736 Y HA -0.025 4.527 4.550 0.004 0.000 0.296 736 Y C 1.460 177.350 175.900 -0.016 0.000 1.150 736 Y CA 0.169 58.256 58.100 -0.021 0.000 1.348 736 Y CB 0.055 38.495 38.460 -0.033 0.000 0.983 736 Y HN 0.562 nan 8.280 nan 0.000 0.555 737 G N 1.116 110.000 108.800 0.139 0.000 2.249 737 G HA2 -0.340 3.623 3.960 0.004 0.000 0.273 737 G HA3 -0.340 3.623 3.960 0.004 0.000 0.273 737 G C -0.094 174.850 174.900 0.073 0.000 1.036 737 G CA 0.166 45.311 45.100 0.075 0.000 0.824 737 G HN 0.346 nan 8.290 nan 0.000 0.504 738 M N 1.625 121.276 119.600 0.085 0.000 2.311 738 M HA 0.409 4.891 4.480 0.004 0.000 0.325 738 M C 0.906 177.234 176.300 0.047 0.000 1.061 738 M CA -0.401 54.940 55.300 0.067 0.000 0.957 738 M CB 1.524 34.164 32.600 0.068 0.000 1.646 738 M HN 0.414 nan 8.290 nan 0.000 0.434 739 T N 1.390 115.972 114.554 0.047 0.000 2.834 739 T HA 0.106 4.458 4.350 0.004 0.000 0.298 739 T C 1.183 175.903 174.700 0.032 0.000 0.966 739 T CA -0.459 61.662 62.100 0.034 0.000 1.141 739 T CB 0.937 69.825 68.868 0.033 0.000 0.905 739 T HN 0.657 nan 8.240 nan 0.000 0.535 740 V N 4.037 123.960 119.914 0.016 0.000 2.252 740 V HA -0.312 3.811 4.120 0.004 0.000 0.255 740 V C 2.764 178.872 176.094 0.024 0.000 1.071 740 V CA 3.116 65.422 62.300 0.010 0.000 1.050 740 V CB -1.589 30.233 31.823 -0.001 0.000 0.654 740 V HN 1.186 nan 8.190 nan 0.000 0.448 741 A N -0.506 122.326 122.820 0.020 0.000 1.909 741 A HA -0.413 3.909 4.320 0.004 0.000 0.221 741 A C 2.174 179.782 177.584 0.041 0.000 1.223 741 A CA 2.681 54.730 52.037 0.020 0.000 0.658 741 A CB -1.341 17.667 19.000 0.013 0.000 0.831 741 A HN 0.761 nan 8.150 nan 0.000 0.462 742 D N -0.568 119.871 120.400 0.065 0.000 2.158 742 D HA -0.123 4.519 4.640 0.004 0.000 0.197 742 D C 2.014 178.454 176.300 0.232 0.000 0.995 742 D CA 1.503 55.578 54.000 0.126 0.000 0.846 742 D CB -0.227 40.658 40.800 0.142 0.000 0.941 742 D HN 0.200 nan 8.370 nan 0.000 0.456 743 V N 0.454 120.465 119.914 0.163 0.000 2.233 743 V HA -0.309 3.813 4.120 0.004 0.000 0.247 743 V C 2.630 178.832 176.094 0.179 0.000 1.050 743 V CA 1.941 64.344 62.300 0.173 0.000 1.010 743 V CB -0.604 31.246 31.823 0.045 0.000 0.637 743 V HN 0.190 nan 8.190 nan 0.000 0.444 744 Q N -0.551 119.295 119.800 0.076 0.000 2.103 744 Q HA -0.302 4.040 4.340 0.004 0.000 0.213 744 Q C 2.209 178.212 176.000 0.005 0.000 1.008 744 Q CA 2.390 58.209 55.803 0.027 0.000 0.879 744 Q CB -0.695 28.044 28.738 0.000 0.000 0.946 744 Q HN 0.570 nan 8.270 nan 0.000 0.413 745 L N -0.775 120.433 121.223 -0.024 0.000 2.103 745 L HA -0.264 4.078 4.340 0.004 0.000 0.215 745 L C 1.394 178.050 176.870 -0.356 0.000 1.080 745 L CA 1.619 56.330 54.840 -0.214 0.000 0.764 745 L CB -0.145 41.715 42.059 -0.332 0.000 0.890 745 L HN 0.326 nan 8.230 nan 0.000 0.435 746 F N -2.234 117.657 119.950 -0.098 0.000 2.746 746 F HA 0.021 4.551 4.527 0.004 0.000 0.297 746 F C 1.939 177.630 175.800 -0.183 0.000 1.113 746 F CA 0.135 58.032 58.000 -0.172 0.000 1.367 746 F CB -0.052 38.857 39.000 -0.152 0.000 1.111 746 F HN -0.173 nan 8.300 nan 0.000 0.590 747 V N -1.549 118.382 119.914 0.028 0.000 2.725 747 V HA -0.127 3.995 4.120 0.004 0.000 0.247 747 V C 2.188 178.255 176.094 -0.045 0.000 1.058 747 V CA 2.017 64.309 62.300 -0.013 0.000 1.080 747 V CB -0.457 31.363 31.823 -0.005 0.000 0.713 747 V HN 0.393 nan 8.190 nan 0.000 0.465 748 T N -1.006 113.511 114.554 -0.062 0.000 2.898 748 T HA -0.058 4.294 4.350 0.004 0.000 0.241 748 T C 2.129 176.785 174.700 -0.074 0.000 1.024 748 T CA 1.689 63.752 62.100 -0.062 0.000 1.174 748 T CB 0.008 68.843 68.868 -0.056 0.000 0.873 748 T HN 0.397 nan 8.240 nan 0.000 0.422 749 S N 0.982 116.614 115.700 -0.113 0.000 2.371 749 S HA 0.183 4.656 4.470 0.004 0.000 0.224 749 S C 2.403 176.928 174.600 -0.124 0.000 1.029 749 S CA 1.030 59.163 58.200 -0.111 0.000 0.978 749 S CB -0.535 62.577 63.200 -0.147 0.000 0.833 749 S HN 0.627 nan 8.310 nan 0.000 0.466 750 A N 0.630 123.313 122.820 -0.228 0.000 1.898 750 A HA 0.013 4.335 4.320 0.004 0.000 0.216 750 A C 2.238 179.658 177.584 -0.275 0.000 1.181 750 A CA 1.423 53.229 52.037 -0.385 0.000 0.620 750 A CB -0.538 18.042 19.000 -0.700 0.000 0.819 750 A HN 0.354 nan 8.150 nan 0.000 0.442 751 V N -1.191 118.625 119.914 -0.163 0.000 2.521 751 V HA 0.067 4.190 4.120 0.004 0.000 0.239 751 V C 2.736 178.840 176.094 0.016 0.000 1.053 751 V CA 1.407 63.678 62.300 -0.049 0.000 1.073 751 V CB -0.925 30.879 31.823 -0.032 0.000 0.746 751 V HN 0.541 nan 8.190 nan 0.000 0.476 752 G N -0.202 108.603 108.800 0.010 0.000 2.404 752 G HA2 0.221 4.184 3.960 0.004 0.000 0.215 752 G HA3 0.221 4.184 3.960 0.004 0.000 0.215 752 G C 1.098 176.029 174.900 0.051 0.000 1.174 752 G CA 1.182 46.306 45.100 0.040 0.000 0.780 752 G HN 1.219 nan 8.290 nan 0.000 0.537 753 G N -1.260 107.561 108.800 0.034 0.000 2.247 753 G HA2 0.340 4.302 3.960 0.004 0.000 0.111 753 G HA3 0.340 4.302 3.960 0.004 0.000 0.111 753 G C 0.176 175.099 174.900 0.038 0.000 1.045 753 G CA 0.064 45.192 45.100 0.047 0.000 0.715 753 G HN 1.210 nan 8.290 nan 0.000 0.485 754 A N 0.443 123.272 122.820 0.015 0.000 2.540 754 A HA 0.626 4.948 4.320 0.004 0.000 0.239 754 A C 0.813 178.407 177.584 0.016 0.000 1.061 754 A CA 1.059 53.105 52.037 0.014 0.000 0.758 754 A CB 0.076 19.071 19.000 -0.008 0.000 0.991 754 A HN 1.899 nan 8.150 nan 0.000 0.502 755 M N 3.127 122.744 119.600 0.028 0.000 2.342 755 M HA 0.743 5.225 4.480 0.004 0.000 0.332 755 M C -0.614 175.696 176.300 0.016 0.000 1.166 755 M CA -0.452 54.867 55.300 0.030 0.000 1.086 755 M CB 1.592 34.221 32.600 0.048 0.000 1.541 755 M HN 0.634 nan 8.290 nan 0.000 0.462 756 V N 2.582 122.504 119.914 0.014 0.000 2.876 756 V HA 0.902 5.024 4.120 0.004 0.000 0.312 756 V C -0.027 176.080 176.094 0.022 0.000 1.085 756 V CA 0.482 62.785 62.300 0.006 0.000 0.945 756 V CB 1.591 33.406 31.823 -0.013 0.000 1.017 756 V HN 1.510 nan 8.190 nan 0.000 0.428 757 G N 4.613 113.430 108.800 0.027 0.000 3.188 757 G HA2 -0.159 3.803 3.960 0.004 0.000 0.683 757 G HA3 -0.159 3.803 3.960 0.004 0.000 0.683 757 G C -0.625 174.320 174.900 0.075 0.000 1.164 757 G CA 0.355 45.485 45.100 0.051 0.000 1.059 757 G HN 1.074 nan 8.290 nan 0.000 0.570 758 E N 1.122 121.367 120.200 0.075 0.000 2.145 758 E HA 0.465 4.817 4.350 0.004 0.000 0.270 758 E C 0.761 177.415 176.600 0.090 0.000 0.906 758 E CA -0.324 56.114 56.400 0.064 0.000 0.761 758 E CB 1.539 31.252 29.700 0.022 0.000 1.116 758 E HN 0.742 nan 8.360 nan 0.000 0.408 759 T N 0.894 115.524 114.554 0.126 0.000 2.946 759 T HA 0.068 4.420 4.350 0.004 0.000 0.311 759 T C -0.199 174.497 174.700 -0.008 0.000 1.063 759 T CA -0.346 61.845 62.100 0.152 0.000 1.139 759 T CB 0.678 69.675 68.868 0.214 0.000 0.994 759 T HN 0.201 nan 8.240 nan 0.000 0.547 760 V N 4.126 124.000 119.914 -0.067 0.000 2.448 760 V HA 0.470 4.592 4.120 0.004 0.000 0.295 760 V C -0.326 175.618 176.094 -0.250 0.000 1.025 760 V CA -0.547 61.605 62.300 -0.246 0.000 0.859 760 V CB 1.709 33.260 31.823 -0.452 0.000 0.988 760 V HN 1.106 nan 8.190 nan 0.000 0.431 761 E N 4.774 124.835 120.200 -0.232 0.000 3.896 761 E HA 0.509 4.861 4.350 0.004 0.000 0.217 761 E C 0.319 176.790 176.600 -0.215 0.000 1.150 761 E CA 0.138 56.432 56.400 -0.176 0.000 1.338 761 E CB 1.068 30.716 29.700 -0.087 0.000 1.242 761 E HN 1.096 nan 8.360 nan 0.000 0.435 762 G N 1.680 110.345 108.800 -0.225 0.000 3.477 762 G HA2 -0.311 3.651 3.960 0.004 0.000 0.669 762 G HA3 -0.311 3.651 3.960 0.004 0.000 0.669 762 G C 0.717 175.517 174.900 -0.167 0.000 1.333 762 G CA 0.210 45.211 45.100 -0.165 0.000 1.233 762 G HN 0.729 nan 8.290 nan 0.000 0.586 763 I N -0.558 119.961 120.570 -0.085 0.000 4.412 763 I HA -0.363 3.809 4.170 0.004 0.000 0.072 763 I C 1.258 177.308 176.117 -0.112 0.000 0.595 763 I CA 2.938 64.237 61.300 -0.003 0.000 0.980 763 I CB -0.766 37.276 38.000 0.069 0.000 0.880 763 I HN 2.377 nan 8.210 nan 0.000 0.175 764 A N 2.865 125.383 122.820 -0.502 0.000 2.318 764 A HA 0.774 5.096 4.320 0.004 0.000 0.324 764 A C -0.409 176.562 177.584 -1.021 0.000 1.170 764 A CA -0.550 50.667 52.037 -1.367 0.000 0.810 764 A CB 0.723 18.154 19.000 -2.615 0.000 1.198 764 A HN 0.392 nan 8.150 nan 0.000 0.484 765 R N 2.529 122.493 120.500 -0.893 0.000 2.480 765 R HA 0.498 4.841 4.340 0.004 0.000 0.306 765 R C -1.795 174.140 176.300 -0.608 0.000 0.958 765 R CA -0.360 55.405 56.100 -0.560 0.000 0.861 765 R CB 0.397 30.542 30.300 -0.260 0.000 1.171 765 R HN 0.627 nan 8.270 nan 0.000 0.445 766 Y N 2.090 122.171 120.300 -0.365 0.000 2.403 766 Y HA 0.505 5.057 4.550 0.004 0.000 0.323 766 Y C -1.957 173.802 175.900 -0.234 0.000 1.226 766 Y CA -2.352 55.562 58.100 -0.310 0.000 1.235 766 Y CB 1.628 39.805 38.460 -0.471 0.000 1.248 766 Y HN 0.400 nan 8.280 nan 0.000 0.489 767 P HA 0.405 nan 4.420 nan 0.000 0.296 767 P C -1.088 176.249 177.300 0.062 0.000 1.310 767 P CA -0.509 62.613 63.100 0.037 0.000 0.900 767 P CB 1.375 33.116 31.700 0.068 0.000 1.111 768 I N 2.416 123.057 120.570 0.119 0.000 2.321 768 I HA 0.384 4.556 4.170 0.004 0.000 0.291 768 I C 0.392 176.574 176.117 0.108 0.000 0.998 768 I CA -0.464 60.945 61.300 0.183 0.000 1.227 768 I CB 0.842 38.961 38.000 0.198 0.000 1.368 768 I HN 0.278 nan 8.210 nan 0.000 0.466 769 N N 7.007 125.775 118.700 0.113 0.000 2.319 769 N HA 0.595 5.337 4.740 0.004 0.000 0.305 769 N C -1.614 173.930 175.510 0.056 0.000 1.103 769 N CA -0.586 52.511 53.050 0.078 0.000 0.815 769 N CB 2.369 40.911 38.487 0.092 0.000 1.288 769 N HN 0.549 nan 8.380 nan 0.000 0.493 770 L N 3.232 124.477 121.223 0.036 0.000 2.457 770 L HA 0.673 5.015 4.340 0.004 0.000 0.266 770 L C -1.182 175.712 176.870 0.041 0.000 0.979 770 L CA -0.492 54.363 54.840 0.025 0.000 0.857 770 L CB 0.737 42.790 42.059 -0.011 0.000 1.213 770 L HN 0.707 nan 8.230 nan 0.000 0.418 771 R N 3.346 123.897 120.500 0.086 0.000 2.728 771 R HA 0.375 4.717 4.340 0.004 0.000 0.274 771 R C -1.557 174.902 176.300 0.265 0.000 1.030 771 R CA -0.754 55.425 56.100 0.132 0.000 0.876 771 R CB 0.131 30.481 30.300 0.084 0.000 1.259 771 R HN 0.593 nan 8.270 nan 0.000 0.468 772 Y N 0.969 121.304 120.300 0.058 0.000 2.546 772 Y HA 0.123 4.675 4.550 0.004 0.000 0.351 772 Y C -1.288 174.687 175.900 0.126 0.000 1.266 772 Y CA -1.321 56.834 58.100 0.091 0.000 1.487 772 Y CB 0.328 38.853 38.460 0.108 0.000 1.365 772 Y HN 0.336 nan 8.280 nan 0.000 0.642 773 P HA -0.084 nan 4.420 nan 0.000 0.272 773 P C -0.162 177.258 177.300 0.201 0.000 1.240 773 P CA -0.192 63.031 63.100 0.205 0.000 0.791 773 P CB 0.459 32.269 31.700 0.183 0.000 0.978 774 Q N 0.370 120.249 119.800 0.133 0.000 2.480 774 Q HA -0.248 4.094 4.340 0.004 0.000 0.217 774 Q C 1.277 177.333 176.000 0.094 0.000 0.993 774 Q CA 2.462 58.326 55.803 0.102 0.000 0.908 774 Q CB -1.469 27.311 28.738 0.068 0.000 0.927 774 Q HN 0.601 nan 8.270 nan 0.000 0.471 775 S N -1.552 114.212 115.700 0.107 0.000 2.811 775 S HA -0.022 4.450 4.470 0.004 0.000 0.237 775 S C 1.451 176.097 174.600 0.077 0.000 1.038 775 S CA -0.059 58.161 58.200 0.033 0.000 0.881 775 S CB -0.882 62.270 63.200 -0.080 0.000 0.815 775 S HN 0.422 nan 8.310 nan 0.000 0.582 776 W N 3.856 125.215 121.300 0.098 0.000 2.389 776 W HA -0.001 4.661 4.660 0.004 0.000 0.267 776 W C 2.259 178.851 176.519 0.122 0.000 1.219 776 W CA 1.128 58.548 57.345 0.125 0.000 1.189 776 W CB 0.003 29.584 29.460 0.201 0.000 1.129 776 W HN 0.477 nan 8.180 nan 0.000 0.581 777 R N -0.040 120.648 120.500 0.312 0.000 2.515 777 R HA 0.110 4.453 4.340 0.004 0.000 0.294 777 R C 0.056 176.436 176.300 0.132 0.000 1.021 777 R CA 0.479 56.702 56.100 0.206 0.000 1.081 777 R CB -0.310 30.096 30.300 0.177 0.000 1.263 777 R HN 0.083 nan 8.270 nan 0.000 0.557 778 D N 1.222 121.688 120.400 0.109 0.000 2.368 778 D HA 0.061 4.704 4.640 0.004 0.000 0.218 778 D C -0.993 175.335 176.300 0.046 0.000 1.112 778 D CA 0.125 54.162 54.000 0.062 0.000 0.834 778 D CB 0.579 41.397 40.800 0.030 0.000 0.953 778 D HN 0.376 nan 8.370 nan 0.000 0.505 779 S N -2.572 113.163 115.700 0.059 0.000 2.756 779 S HA 0.085 4.557 4.470 0.004 0.000 0.295 779 S C -2.551 172.083 174.600 0.057 0.000 0.945 779 S CA -1.076 57.152 58.200 0.046 0.000 0.838 779 S CB 0.660 63.876 63.200 0.027 0.000 1.042 779 S HN -0.285 nan 8.310 nan 0.000 0.467 780 P HA -0.234 nan 4.420 nan 0.000 0.217 780 P C 1.652 178.985 177.300 0.055 0.000 1.158 780 P CA 1.862 64.993 63.100 0.051 0.000 0.887 780 P CB 0.134 31.858 31.700 0.040 0.000 0.792 781 Q N -0.579 119.249 119.800 0.047 0.000 2.020 781 Q HA -0.039 4.303 4.340 0.004 0.000 0.198 781 Q C 2.162 178.206 176.000 0.073 0.000 0.974 781 Q CA 1.894 57.727 55.803 0.050 0.000 0.829 781 Q CB -1.393 27.365 28.738 0.033 0.000 0.894 781 Q HN 0.089 nan 8.270 nan 0.000 0.433 782 A N 0.298 123.160 122.820 0.069 0.000 1.997 782 A HA -0.215 4.107 4.320 0.004 0.000 0.221 782 A C 2.071 179.770 177.584 0.190 0.000 1.172 782 A CA 1.752 53.853 52.037 0.106 0.000 0.645 782 A CB -0.835 18.205 19.000 0.066 0.000 0.813 782 A HN 0.512 nan 8.150 nan 0.000 0.454 783 L N -1.411 119.896 121.223 0.140 0.000 2.162 783 L HA 0.035 4.377 4.340 0.004 0.000 0.205 783 L C 2.477 179.414 176.870 0.111 0.000 1.086 783 L CA 0.960 55.883 54.840 0.137 0.000 0.778 783 L CB -0.216 41.901 42.059 0.097 0.000 0.928 783 L HN 0.273 nan 8.230 nan 0.000 0.446 784 R N -0.483 120.070 120.500 0.089 0.000 2.170 784 R HA -0.197 4.145 4.340 0.004 0.000 0.242 784 R C 1.956 178.310 176.300 0.091 0.000 1.145 784 R CA 1.666 57.808 56.100 0.070 0.000 0.984 784 R CB -0.221 30.113 30.300 0.057 0.000 0.869 784 R HN 0.541 nan 8.270 nan 0.000 0.455 785 Q N 0.111 120.000 119.800 0.149 0.000 2.360 785 Q HA 0.150 4.492 4.340 0.004 0.000 0.202 785 Q C 0.041 176.174 176.000 0.221 0.000 0.915 785 Q CA -0.306 55.619 55.803 0.203 0.000 0.943 785 Q CB 0.393 29.302 28.738 0.285 0.000 1.064 785 Q HN 0.308 nan 8.270 nan 0.000 0.511 786 L N 3.116 124.449 121.223 0.184 0.000 2.714 786 L HA -0.091 4.251 4.340 0.004 0.000 0.301 786 L C -2.225 174.606 176.870 -0.064 0.000 1.248 786 L CA -0.540 54.357 54.840 0.094 0.000 0.885 786 L CB 0.412 42.507 42.059 0.060 0.000 1.143 786 L HN -0.033 nan 8.230 nan 0.000 0.500 787 P HA 0.353 nan 4.420 nan 0.000 0.295 787 P C -0.832 176.381 177.300 -0.146 0.000 1.354 787 P CA -0.353 62.589 63.100 -0.263 0.000 0.814 787 P CB 1.268 32.632 31.700 -0.560 0.000 0.935 788 I N 4.593 125.052 120.570 -0.185 0.000 2.603 788 I HA 0.426 4.598 4.170 0.004 0.000 0.300 788 I C -0.674 175.298 176.117 -0.242 0.000 1.017 788 I CA -1.019 60.073 61.300 -0.347 0.000 1.098 788 I CB 1.624 39.345 38.000 -0.466 0.000 1.279 788 I HN 0.168 nan 8.210 nan 0.000 0.437 789 L N 4.380 125.443 121.223 -0.267 0.000 2.492 789 L HA 0.583 4.926 4.340 0.004 0.000 0.258 789 L C 0.111 176.952 176.870 -0.049 0.000 1.028 789 L CA -0.628 54.156 54.840 -0.093 0.000 0.900 789 L CB 0.849 42.903 42.059 -0.009 0.000 1.191 789 L HN 0.584 nan 8.230 nan 0.000 0.459 790 T N -0.671 113.857 114.554 -0.043 0.000 2.701 790 T HA 0.350 4.702 4.350 0.004 0.000 0.303 790 T C -1.086 173.635 174.700 0.035 0.000 1.030 790 T CA -0.723 61.380 62.100 0.005 0.000 1.010 790 T CB 0.659 69.540 68.868 0.021 0.000 1.007 790 T HN 0.546 nan 8.240 nan 0.000 0.532 791 P HA -0.054 nan 4.420 nan 0.000 0.218 791 P C 1.195 178.509 177.300 0.023 0.000 1.149 791 P CA 1.207 64.335 63.100 0.046 0.000 0.817 791 P CB -0.134 31.595 31.700 0.049 0.000 0.785 792 M N -0.374 119.232 119.600 0.010 0.000 3.168 792 M HA 0.109 4.591 4.480 0.004 0.000 0.202 792 M C -0.058 176.233 176.300 -0.016 0.000 1.310 792 M CA 0.096 55.392 55.300 -0.008 0.000 1.302 792 M CB -1.221 31.364 32.600 -0.025 0.000 1.484 792 M HN -0.193 nan 8.290 nan 0.000 0.434 793 K N 1.594 121.993 120.400 -0.002 0.000 3.491 793 K HA -0.219 4.103 4.320 0.004 0.000 0.271 793 K C 0.001 176.588 176.600 -0.021 0.000 0.852 793 K CA 0.877 57.162 56.287 -0.003 0.000 0.651 793 K CB -1.608 30.892 32.500 -0.001 0.000 1.568 793 K HN 0.788 nan 8.250 nan 0.000 0.452 794 Q N -1.076 118.704 119.800 -0.034 0.000 2.399 794 Q HA 0.487 4.829 4.340 0.004 0.000 0.276 794 Q C -0.799 175.170 176.000 -0.053 0.000 1.098 794 Q CA -1.249 54.519 55.803 -0.058 0.000 0.827 794 Q CB 1.943 30.619 28.738 -0.103 0.000 1.386 794 Q HN 0.217 nan 8.270 nan 0.000 0.443 795 Q N 1.603 121.371 119.800 -0.054 0.000 2.307 795 Q HA 0.585 4.927 4.340 0.004 0.000 0.262 795 Q C -1.325 174.655 176.000 -0.033 0.000 0.961 795 Q CA -0.249 55.527 55.803 -0.045 0.000 0.882 795 Q CB 1.173 29.890 28.738 -0.036 0.000 1.264 795 Q HN 0.727 nan 8.270 nan 0.000 0.446 796 I N 0.546 121.104 120.570 -0.019 0.000 3.660 796 I HA 0.581 4.753 4.170 0.004 0.000 0.287 796 I C -0.668 175.447 176.117 -0.003 0.000 1.142 796 I CA -1.015 60.312 61.300 0.045 0.000 1.121 796 I CB 2.515 40.622 38.000 0.178 0.000 1.373 796 I HN 0.632 nan 8.210 nan 0.000 0.473 797 T N -0.882 113.679 114.554 0.012 0.000 3.105 797 T HA 0.302 4.655 4.350 0.004 0.000 0.321 797 T C 0.238 174.916 174.700 -0.037 0.000 1.135 797 T CA -0.658 61.428 62.100 -0.023 0.000 1.053 797 T CB 1.344 70.223 68.868 0.017 0.000 1.133 797 T HN 0.606 nan 8.240 nan 0.000 0.463 798 L N 3.465 124.649 121.223 -0.064 0.000 2.095 798 L HA -0.205 4.137 4.340 0.004 0.000 0.229 798 L C 2.822 179.661 176.870 -0.051 0.000 1.097 798 L CA 3.272 58.072 54.840 -0.067 0.000 0.813 798 L CB -1.036 41.001 42.059 -0.036 0.000 0.907 798 L HN 1.016 nan 8.230 nan 0.000 0.445 799 A N -1.528 121.284 122.820 -0.013 0.000 2.054 799 A HA -0.324 3.998 4.320 0.004 0.000 0.223 799 A C 2.114 179.679 177.584 -0.032 0.000 1.169 799 A CA 2.255 54.288 52.037 -0.006 0.000 0.655 799 A CB -0.919 18.094 19.000 0.022 0.000 0.812 799 A HN 0.714 nan 8.150 nan 0.000 0.462 800 D N -0.858 119.516 120.400 -0.044 0.000 2.277 800 D HA -0.020 4.622 4.640 0.004 0.000 0.208 800 D C 1.670 177.835 176.300 -0.226 0.000 0.962 800 D CA 1.575 55.536 54.000 -0.066 0.000 0.865 800 D CB 0.260 41.077 40.800 0.027 0.000 0.939 800 D HN 0.428 nan 8.370 nan 0.000 0.510 801 V N -2.473 117.297 119.914 -0.241 0.000 3.528 801 V HA 0.621 4.743 4.120 0.004 0.000 0.294 801 V C 0.480 176.469 176.094 -0.175 0.000 1.404 801 V CA -0.155 61.956 62.300 -0.314 0.000 1.065 801 V CB 0.262 31.886 31.823 -0.332 0.000 0.904 801 V HN 0.095 nan 8.190 nan 0.000 0.435 802 A N 0.149 122.901 122.820 -0.113 0.000 2.604 802 A HA 0.639 4.961 4.320 0.004 0.000 0.295 802 A C -1.744 175.816 177.584 -0.041 0.000 1.067 802 A CA -0.619 51.377 52.037 -0.069 0.000 0.683 802 A CB 1.118 20.086 19.000 -0.054 0.000 1.281 802 A HN 0.219 nan 8.150 nan 0.000 0.407 803 D N 2.278 122.661 120.400 -0.028 0.000 2.365 803 D HA 0.334 4.976 4.640 0.004 0.000 0.237 803 D C -0.045 176.254 176.300 -0.002 0.000 1.190 803 D CA 0.162 54.155 54.000 -0.012 0.000 0.867 803 D CB 1.169 41.964 40.800 -0.008 0.000 1.050 803 D HN 0.560 nan 8.370 nan 0.000 0.491 804 I N -0.047 120.526 120.570 0.006 0.000 2.294 804 I HA 0.159 4.331 4.170 0.004 0.000 0.295 804 I C -0.435 175.695 176.117 0.021 0.000 1.098 804 I CA -0.252 61.058 61.300 0.016 0.000 1.277 804 I CB 0.173 38.187 38.000 0.023 0.000 1.434 804 I HN -0.002 nan 8.210 nan 0.000 0.498 805 K N 5.546 125.960 120.400 0.024 0.000 2.164 805 K HA 0.618 4.940 4.320 0.004 0.000 0.258 805 K C -0.582 176.042 176.600 0.040 0.000 0.951 805 K CA -1.005 55.299 56.287 0.028 0.000 0.844 805 K CB 2.335 34.850 32.500 0.024 0.000 1.099 805 K HN 0.463 nan 8.250 nan 0.000 0.435 806 V N 1.059 120.996 119.914 0.038 0.000 3.214 806 V HA 0.361 4.484 4.120 0.004 0.000 0.306 806 V C 0.315 176.437 176.094 0.048 0.000 1.078 806 V CA -0.200 62.128 62.300 0.047 0.000 1.077 806 V CB 1.519 33.361 31.823 0.033 0.000 1.121 806 V HN 0.916 nan 8.190 nan 0.000 0.468 807 S N 0.094 115.826 115.700 0.054 0.000 2.627 807 S HA 0.585 5.057 4.470 0.004 0.000 0.268 807 S C -0.871 173.719 174.600 -0.018 0.000 1.130 807 S CA -0.081 58.143 58.200 0.040 0.000 0.819 807 S CB 1.937 65.189 63.200 0.086 0.000 1.100 807 S HN 1.119 nan 8.310 nan 0.000 0.465 808 T N 0.330 114.848 114.554 -0.060 0.000 2.856 808 T HA 0.903 5.255 4.350 0.004 0.000 0.283 808 T C 0.281 174.854 174.700 -0.212 0.000 1.008 808 T CA -0.154 61.849 62.100 -0.161 0.000 0.997 808 T CB 1.209 70.016 68.868 -0.103 0.000 0.992 808 T HN 1.284 nan 8.240 nan 0.000 0.454 809 G N 1.459 110.011 108.800 -0.414 0.000 2.619 809 G HA2 0.742 4.704 3.960 0.004 0.000 0.305 809 G HA3 0.742 4.704 3.960 0.004 0.000 0.305 809 G C -3.317 171.414 174.900 -0.282 0.000 1.330 809 G CA -1.353 43.548 45.100 -0.332 0.000 0.789 809 G HN 0.668 nan 8.290 nan 0.000 0.487 810 P HA 0.242 nan 4.420 nan 0.000 0.271 810 P C 0.146 177.476 177.300 0.050 0.000 1.216 810 P CA 0.152 63.254 63.100 0.003 0.000 0.776 810 P CB 1.902 33.652 31.700 0.084 0.000 0.881 811 S N 1.885 117.587 115.700 0.004 0.000 2.593 811 S HA 0.437 4.909 4.470 0.004 0.000 0.236 811 S C 0.121 174.742 174.600 0.035 0.000 0.991 811 S CA -0.312 57.907 58.200 0.032 0.000 0.963 811 S CB -0.766 62.414 63.200 -0.033 0.000 0.865 811 S HN 0.512 nan 8.310 nan 0.000 0.488 812 M N 1.176 120.791 119.600 0.025 0.000 3.012 812 M HA 0.520 5.002 4.480 0.004 0.000 0.272 812 M C -2.646 173.658 176.300 0.006 0.000 1.187 812 M CA -0.587 54.713 55.300 -0.000 0.000 0.813 812 M CB 1.382 33.931 32.600 -0.085 0.000 1.626 812 M HN -0.044 nan 8.290 nan 0.000 0.507 813 L N 1.584 122.812 121.223 0.007 0.000 2.513 813 L HA 0.561 4.903 4.340 0.004 0.000 0.261 813 L C -1.043 175.843 176.870 0.027 0.000 0.945 813 L CA -0.717 54.127 54.840 0.007 0.000 0.848 813 L CB 1.719 43.803 42.059 0.042 0.000 1.334 813 L HN 0.808 nan 8.230 nan 0.000 0.407 814 K N 1.047 121.414 120.400 -0.056 0.000 2.109 814 K HA 0.862 5.184 4.320 0.004 0.000 0.243 814 K C -0.486 176.287 176.600 0.289 0.000 1.006 814 K CA -0.542 55.747 56.287 0.004 0.000 0.917 814 K CB 1.497 33.494 32.500 -0.838 0.000 1.081 814 K HN 0.748 nan 8.250 nan 0.000 0.468 815 T N -0.915 114.021 114.554 0.637 0.000 4.111 815 T HA 0.107 4.459 4.350 0.004 0.000 0.346 815 T C -1.247 173.637 174.700 0.308 0.000 0.893 815 T CA -0.875 61.488 62.100 0.438 0.000 1.011 815 T CB 0.864 69.836 68.868 0.174 0.000 1.094 815 T HN 0.532 nan 8.240 nan 0.000 0.467 816 E N 2.804 123.092 120.200 0.146 0.000 1.993 816 E HA 0.500 4.852 4.350 0.004 0.000 0.271 816 E C -0.303 176.254 176.600 -0.072 0.000 1.008 816 E CA -0.062 56.254 56.400 -0.140 0.000 0.814 816 E CB -0.135 29.275 29.700 -0.484 0.000 1.098 816 E HN 0.569 nan 8.360 nan 0.000 0.407 817 N N 3.852 122.529 118.700 -0.039 0.000 3.053 817 N HA -0.180 4.563 4.740 0.004 0.000 0.252 817 N C 0.050 175.568 175.510 0.013 0.000 1.092 817 N CA 0.871 53.905 53.050 -0.028 0.000 0.668 817 N CB -1.387 37.069 38.487 -0.052 0.000 1.009 817 N HN 0.707 nan 8.380 nan 0.000 0.572 818 A N -0.999 121.836 122.820 0.026 0.000 1.282 818 A HA -0.395 3.927 4.320 0.004 0.000 0.226 818 A C 0.838 178.498 177.584 0.126 0.000 0.465 818 A CA 2.137 54.219 52.037 0.074 0.000 1.095 818 A CB -1.609 17.447 19.000 0.094 0.000 1.470 818 A HN 0.899 nan 8.150 nan 0.000 0.723 819 R N 0.898 121.469 120.500 0.118 0.000 2.980 819 R HA 0.426 4.768 4.340 0.004 0.000 0.285 819 R C -2.656 173.727 176.300 0.138 0.000 1.072 819 R CA -0.339 55.843 56.100 0.137 0.000 1.203 819 R CB -0.787 29.565 30.300 0.086 0.000 1.163 819 R HN 0.440 nan 8.270 nan 0.000 0.545 820 P HA 0.226 nan 4.420 nan 0.000 0.303 820 P C -1.208 176.198 177.300 0.177 0.000 1.350 820 P CA -0.504 62.692 63.100 0.160 0.000 0.880 820 P CB 2.132 33.918 31.700 0.143 0.000 1.018 821 T N 0.866 115.589 114.554 0.281 0.000 2.912 821 T HA 0.583 4.935 4.350 0.004 0.000 0.299 821 T C -1.028 173.974 174.700 0.504 0.000 1.052 821 T CA -0.521 61.798 62.100 0.365 0.000 0.996 821 T CB 0.581 69.625 68.868 0.293 0.000 1.070 821 T HN 0.296 nan 8.240 nan 0.000 0.465 822 S N 4.179 120.109 115.700 0.384 0.000 2.594 822 S HA 0.569 5.041 4.470 0.004 0.000 0.322 822 S C -0.992 173.822 174.600 0.356 0.000 1.085 822 S CA -0.912 57.407 58.200 0.198 0.000 1.116 822 S CB 0.258 63.501 63.200 0.072 0.000 0.979 822 S HN 0.660 nan 8.310 nan 0.000 0.465 823 W N 3.850 125.121 121.300 -0.049 0.000 2.317 823 W HA 0.461 5.123 4.660 0.004 0.000 0.327 823 W C -0.608 175.785 176.519 -0.209 0.000 1.036 823 W CA -2.518 54.739 57.345 -0.147 0.000 1.419 823 W CB -0.942 28.377 29.460 -0.236 0.000 1.253 823 W HN 0.516 nan 8.180 nan 0.000 0.392 824 I N 4.787 125.396 120.570 0.065 0.000 2.241 824 I HA 0.107 4.279 4.170 0.004 0.000 0.294 824 I C -0.027 176.135 176.117 0.075 0.000 1.145 824 I CA -1.002 60.342 61.300 0.074 0.000 1.261 824 I CB -0.728 37.314 38.000 0.070 0.000 1.475 824 I HN 0.188 nan 8.210 nan 0.000 0.533 825 Y N 6.536 126.868 120.300 0.054 0.000 2.987 825 Y HA 0.107 4.659 4.550 0.004 0.000 0.339 825 Y C 0.629 176.524 175.900 -0.009 0.000 1.272 825 Y CA 0.001 58.120 58.100 0.032 0.000 1.562 825 Y CB -0.005 38.468 38.460 0.023 0.000 1.253 825 Y HN 0.461 nan 8.280 nan 0.000 0.604 826 I N -0.549 120.081 120.570 0.101 0.000 2.984 826 I HA 0.694 4.866 4.170 0.004 0.000 0.303 826 I C -1.432 174.665 176.117 -0.035 0.000 1.381 826 I CA -1.064 60.243 61.300 0.013 0.000 0.988 826 I CB 2.637 40.611 38.000 -0.043 0.000 1.307 826 I HN 0.373 nan 8.210 nan 0.000 0.460 827 D N 2.320 122.691 120.400 -0.047 0.000 2.706 827 D HA 0.684 5.326 4.640 0.004 0.000 0.225 827 D C -1.655 174.615 176.300 -0.051 0.000 1.241 827 D CA -0.381 53.585 54.000 -0.057 0.000 0.784 827 D CB 2.675 43.466 40.800 -0.016 0.000 1.521 827 D HN 0.926 nan 8.370 nan 0.000 0.461 828 A N 2.950 125.741 122.820 -0.049 0.000 3.105 828 A HA 0.451 4.773 4.320 0.004 0.000 0.336 828 A C 0.126 177.716 177.584 0.010 0.000 1.042 828 A CA -0.579 51.444 52.037 -0.024 0.000 0.851 828 A CB 0.212 19.190 19.000 -0.038 0.000 1.068 828 A HN 0.287 nan 8.150 nan 0.000 0.477 829 R N 1.768 122.278 120.500 0.017 0.000 2.598 829 R HA -0.023 4.319 4.340 0.004 0.000 0.266 829 R C -0.104 176.239 176.300 0.072 0.000 0.977 829 R CA 1.269 57.392 56.100 0.039 0.000 1.097 829 R CB -0.381 29.939 30.300 0.033 0.000 0.911 829 R HN 0.757 nan 8.270 nan 0.000 0.419 830 D N -0.121 120.346 120.400 0.110 0.000 2.873 830 D HA -0.189 4.453 4.640 0.004 0.000 0.228 830 D C 0.160 176.559 176.300 0.165 0.000 1.122 830 D CA 0.830 54.949 54.000 0.198 0.000 0.758 830 D CB -0.293 40.602 40.800 0.159 0.000 1.094 830 D HN 0.431 nan 8.370 nan 0.000 0.434 831 R N -0.009 120.581 120.500 0.150 0.000 2.962 831 R HA 0.531 4.873 4.340 0.004 0.000 0.256 831 R C -1.653 174.739 176.300 0.154 0.000 1.199 831 R CA -0.510 55.668 56.100 0.129 0.000 1.012 831 R CB 1.611 31.972 30.300 0.100 0.000 1.289 831 R HN -0.028 nan 8.270 nan 0.000 0.462 832 D N 0.644 121.130 120.400 0.142 0.000 2.549 832 D HA 0.336 4.978 4.640 0.004 0.000 0.251 832 D C -0.518 175.934 176.300 0.253 0.000 1.153 832 D CA -0.241 53.859 54.000 0.167 0.000 0.861 832 D CB 1.029 41.847 40.800 0.030 0.000 1.207 832 D HN 0.348 nan 8.370 nan 0.000 0.543 833 M N 3.151 123.066 119.600 0.524 0.000 2.869 833 M HA 0.192 4.674 4.480 0.004 0.000 0.353 833 M C 0.741 177.198 176.300 0.262 0.000 1.224 833 M CA -0.318 55.140 55.300 0.264 0.000 0.917 833 M CB 1.257 33.881 32.600 0.040 0.000 1.322 833 M HN 0.145 nan 8.290 nan 0.000 0.516 834 V N -0.717 119.424 119.914 0.378 0.000 2.867 834 V HA -0.201 3.922 4.120 0.004 0.000 0.260 834 V C 2.044 178.225 176.094 0.146 0.000 1.099 834 V CA 2.046 64.507 62.300 0.268 0.000 1.122 834 V CB -0.692 31.252 31.823 0.203 0.000 0.708 834 V HN 0.596 nan 8.190 nan 0.000 0.490 835 S N -0.113 115.649 115.700 0.103 0.000 2.377 835 S HA -0.099 4.373 4.470 0.004 0.000 0.223 835 S C 2.037 176.663 174.600 0.043 0.000 1.030 835 S CA 1.186 59.420 58.200 0.057 0.000 0.970 835 S CB -0.058 63.158 63.200 0.028 0.000 0.830 835 S HN 0.410 nan 8.310 nan 0.000 0.473 836 V N 2.582 122.504 119.914 0.013 0.000 2.407 836 V HA -0.149 3.973 4.120 0.004 0.000 0.248 836 V C 2.568 178.641 176.094 -0.036 0.000 1.055 836 V CA 1.686 63.971 62.300 -0.024 0.000 1.049 836 V CB -0.996 30.787 31.823 -0.066 0.000 0.662 836 V HN 0.563 nan 8.190 nan 0.000 0.455 837 V N -1.085 118.801 119.914 -0.046 0.000 2.427 837 V HA -0.279 3.843 4.120 0.004 0.000 0.248 837 V C 2.434 178.536 176.094 0.014 0.000 1.051 837 V CA 2.455 64.704 62.300 -0.084 0.000 1.048 837 V CB -1.016 30.754 31.823 -0.089 0.000 0.666 837 V HN 0.659 nan 8.190 nan 0.000 0.456 838 H N 2.347 121.411 119.070 -0.011 0.000 2.387 838 H HA -0.150 4.408 4.556 0.004 0.000 0.299 838 H C 2.088 177.423 175.328 0.010 0.000 1.090 838 H CA 2.400 58.459 56.048 0.019 0.000 1.332 838 H CB -0.458 29.320 29.762 0.025 0.000 1.386 838 H HN 0.821 nan 8.280 nan 0.000 0.516 839 D N -0.021 120.520 120.400 0.235 0.000 2.264 839 D HA -0.130 4.512 4.640 0.004 0.000 0.208 839 D C 2.450 178.799 176.300 0.082 0.000 0.966 839 D CA 0.773 54.866 54.000 0.156 0.000 0.864 839 D CB -0.744 40.091 40.800 0.059 0.000 0.933 839 D HN 0.435 nan 8.370 nan 0.000 0.499 840 L N -0.297 120.943 121.223 0.029 0.000 2.131 840 L HA -0.123 4.220 4.340 0.004 0.000 0.206 840 L C 2.618 179.511 176.870 0.037 0.000 1.087 840 L CA 1.220 56.053 54.840 -0.010 0.000 0.767 840 L CB -0.411 41.580 42.059 -0.113 0.000 0.917 840 L HN 0.172 nan 8.230 nan 0.000 0.441 841 Q N -0.785 119.054 119.800 0.065 0.000 2.050 841 Q HA -0.245 4.097 4.340 0.004 0.000 0.202 841 Q C 2.041 178.074 176.000 0.055 0.000 0.980 841 Q CA 1.188 57.052 55.803 0.102 0.000 0.840 841 Q CB -0.416 28.369 28.738 0.079 0.000 0.898 841 Q HN 0.187 nan 8.270 nan 0.000 0.424 842 K N 0.654 121.082 120.400 0.046 0.000 2.103 842 K HA -0.089 4.233 4.320 0.004 0.000 0.207 842 K C 2.104 178.731 176.600 0.046 0.000 1.048 842 K CA 1.428 57.746 56.287 0.053 0.000 0.930 842 K CB -0.419 32.136 32.500 0.091 0.000 0.716 842 K HN 0.409 nan 8.250 nan 0.000 0.444 843 A N 1.149 123.996 122.820 0.046 0.000 1.872 843 A HA -0.083 4.239 4.320 0.004 0.000 0.214 843 A C 2.252 179.855 177.584 0.031 0.000 1.187 843 A CA 0.936 52.993 52.037 0.033 0.000 0.614 843 A CB -0.449 18.566 19.000 0.025 0.000 0.826 843 A HN 0.204 nan 8.150 nan 0.000 0.442 844 I N -0.089 120.505 120.570 0.040 0.000 2.208 844 I HA -0.290 3.882 4.170 0.004 0.000 0.245 844 I C 2.778 178.915 176.117 0.034 0.000 1.097 844 I CA 1.231 62.556 61.300 0.042 0.000 1.363 844 I CB -0.328 37.714 38.000 0.069 0.000 1.051 844 I HN 0.384 nan 8.210 nan 0.000 0.413 845 A N -0.409 122.431 122.820 0.034 0.000 2.178 845 A HA -0.216 4.106 4.320 0.004 0.000 0.218 845 A C 1.987 179.582 177.584 0.018 0.000 1.157 845 A CA 1.518 53.569 52.037 0.023 0.000 0.689 845 A CB -0.384 18.627 19.000 0.019 0.000 0.787 845 A HN 0.401 nan 8.150 nan 0.000 0.465 846 E N -1.078 119.134 120.200 0.020 0.000 2.431 846 E HA 0.158 4.510 4.350 0.004 0.000 0.200 846 E C 0.502 177.110 176.600 0.014 0.000 0.995 846 E CA 0.361 56.770 56.400 0.016 0.000 0.915 846 E CB 0.296 30.007 29.700 0.017 0.000 0.930 846 E HN 0.370 nan 8.360 nan 0.000 0.496 847 K N 0.253 120.662 120.400 0.015 0.000 3.062 847 K HA 0.168 4.490 4.320 0.004 0.000 0.214 847 K C -1.713 174.895 176.600 0.014 0.000 1.349 847 K CA -0.145 56.150 56.287 0.013 0.000 0.805 847 K CB 0.400 32.906 32.500 0.011 0.000 1.242 847 K HN 0.000 nan 8.250 nan 0.000 0.527 848 V N -0.965 118.958 119.914 0.016 0.000 3.087 848 V HA 0.567 4.689 4.120 0.004 0.000 0.306 848 V C -1.765 174.338 176.094 0.015 0.000 1.187 848 V CA -0.829 61.481 62.300 0.017 0.000 0.999 848 V CB 2.091 33.928 31.823 0.024 0.000 1.049 848 V HN 0.398 nan 8.190 nan 0.000 0.431 849 Q N 3.505 123.314 119.800 0.015 0.000 2.325 849 Q HA 0.700 5.042 4.340 0.004 0.000 0.262 849 Q C -1.055 174.954 176.000 0.013 0.000 0.968 849 Q CA -0.366 55.444 55.803 0.012 0.000 0.877 849 Q CB 2.207 30.952 28.738 0.011 0.000 1.253 849 Q HN 0.757 nan 8.270 nan 0.000 0.448 850 L N 3.193 124.423 121.223 0.010 0.000 2.265 850 L HA 0.398 4.741 4.340 0.004 0.000 0.289 850 L C 0.289 177.164 176.870 0.008 0.000 1.033 850 L CA -0.626 54.220 54.840 0.009 0.000 0.814 850 L CB 0.765 42.825 42.059 0.003 0.000 1.203 850 L HN 0.469 nan 8.230 nan 0.000 0.423 851 K N 3.306 123.712 120.400 0.010 0.000 2.233 851 K HA 0.266 4.588 4.320 0.004 0.000 0.239 851 K C -2.213 174.391 176.600 0.007 0.000 1.064 851 K CA -1.570 54.723 56.287 0.010 0.000 0.884 851 K CB 0.010 32.517 32.500 0.013 0.000 1.166 851 K HN 0.242 nan 8.250 nan 0.000 0.512 852 P HA -0.002 nan 4.420 nan 0.000 0.259 852 P C -0.490 176.812 177.300 0.005 0.000 1.211 852 P CA 0.635 63.737 63.100 0.004 0.000 0.810 852 P CB -0.156 31.547 31.700 0.004 0.000 0.815 853 G N 2.857 111.657 108.800 0.001 0.000 2.920 853 G HA2 0.056 4.018 3.960 0.004 0.000 0.210 853 G HA3 0.056 4.018 3.960 0.004 0.000 0.210 853 G C -0.290 174.612 174.900 0.003 0.000 0.806 853 G CA -0.140 44.960 45.100 0.000 0.000 0.853 853 G HN 0.764 nan 8.290 nan 0.000 0.333 854 T N -1.460 113.093 114.554 -0.003 0.000 2.843 854 T HA 0.863 5.215 4.350 0.004 0.000 0.337 854 T C -0.317 174.374 174.700 -0.016 0.000 1.754 854 T CA -0.078 62.021 62.100 -0.002 0.000 1.052 854 T CB 1.484 70.357 68.868 0.008 0.000 1.588 854 T HN 2.252 nan 8.240 nan 0.000 0.493 855 S N -0.398 115.288 115.700 -0.024 0.000 2.579 855 S HA 0.830 5.302 4.470 0.004 0.000 0.272 855 S C -1.434 173.125 174.600 -0.067 0.000 1.141 855 S CA -0.885 57.284 58.200 -0.053 0.000 0.843 855 S CB 1.838 64.997 63.200 -0.067 0.000 1.122 855 S HN 0.918 nan 8.310 nan 0.000 0.468 856 V N 1.051 120.893 119.914 -0.120 0.000 2.555 856 V HA 0.910 5.032 4.120 0.004 0.000 0.302 856 V C 0.121 175.999 176.094 -0.360 0.000 1.038 856 V CA -0.112 62.087 62.300 -0.167 0.000 0.887 856 V CB 1.424 33.176 31.823 -0.119 0.000 0.991 856 V HN 1.371 nan 8.190 nan 0.000 0.434 857 A N 4.161 126.778 122.820 -0.339 0.000 2.454 857 A HA 0.984 5.306 4.320 0.004 0.000 0.302 857 A C -1.532 175.888 177.584 -0.274 0.000 1.079 857 A CA -0.400 51.380 52.037 -0.428 0.000 0.731 857 A CB 1.441 20.296 19.000 -0.242 0.000 1.299 857 A HN 0.533 nan 8.150 nan 0.000 0.413 858 F N 0.657 120.566 119.950 -0.070 0.000 2.538 858 F HA 0.842 5.371 4.527 0.004 0.000 0.325 858 F C 0.726 176.484 175.800 -0.069 0.000 1.066 858 F CA -0.661 57.300 58.000 -0.065 0.000 0.946 858 F CB 2.135 41.103 39.000 -0.054 0.000 1.199 858 F HN 0.893 nan 8.300 nan 0.000 0.473 859 S N 0.003 115.787 115.700 0.139 0.000 2.611 859 S HA 0.880 5.352 4.470 0.004 0.000 0.270 859 S C -0.892 173.730 174.600 0.037 0.000 1.131 859 S CA -0.128 58.102 58.200 0.051 0.000 0.826 859 S CB 1.517 64.703 63.200 -0.024 0.000 1.095 859 S HN 1.661 nan 8.310 nan 0.000 0.461 860 G N 0.345 109.177 108.800 0.054 0.000 2.356 860 G HA2 0.328 4.290 3.960 0.004 0.000 0.281 860 G HA3 0.328 4.290 3.960 0.004 0.000 0.281 860 G C -0.724 174.238 174.900 0.102 0.000 1.246 860 G CA 0.043 45.190 45.100 0.077 0.000 0.889 860 G HN 0.799 nan 8.290 nan 0.000 0.486 861 Q N -0.864 119.014 119.800 0.131 0.000 2.365 861 Q HA 0.272 4.614 4.340 0.004 0.000 0.203 861 Q C 1.182 177.254 176.000 0.120 0.000 0.929 861 Q CA 0.066 55.927 55.803 0.098 0.000 0.948 861 Q CB -0.069 28.710 28.738 0.068 0.000 1.043 861 Q HN 0.497 nan 8.270 nan 0.000 0.505 862 F N 0.423 120.364 119.950 -0.015 0.000 2.118 862 F HA -0.114 4.415 4.527 0.004 0.000 0.293 862 F C 2.428 178.222 175.800 -0.009 0.000 1.102 862 F CA 0.888 58.879 58.000 -0.015 0.000 1.247 862 F CB 0.325 39.316 39.000 -0.014 0.000 1.017 862 F HN 0.134 nan 8.300 nan 0.000 0.475 863 E N 0.554 120.854 120.200 0.166 0.000 2.219 863 E HA -0.221 4.131 4.350 0.004 0.000 0.198 863 E C 2.203 178.812 176.600 0.015 0.000 0.998 863 E CA 0.685 57.131 56.400 0.077 0.000 0.818 863 E CB -0.382 29.354 29.700 0.060 0.000 0.741 863 E HN 0.309 nan 8.360 nan 0.000 0.477 864 L N 0.325 121.551 121.223 0.006 0.000 2.131 864 L HA -0.092 4.250 4.340 0.004 0.000 0.206 864 L C 2.202 179.040 176.870 -0.053 0.000 1.087 864 L CA 0.875 55.705 54.840 -0.018 0.000 0.767 864 L CB -0.512 41.541 42.059 -0.009 0.000 0.917 864 L HN 0.203 nan 8.230 nan 0.000 0.441 865 L N -0.036 121.120 121.223 -0.111 0.000 2.313 865 L HA -0.118 4.224 4.340 0.004 0.000 0.214 865 L C 2.396 179.173 176.870 -0.155 0.000 1.119 865 L CA 1.079 55.815 54.840 -0.173 0.000 0.809 865 L CB -0.480 41.386 42.059 -0.322 0.000 0.933 865 L HN 0.412 nan 8.230 nan 0.000 0.449 866 E N 0.569 120.695 120.200 -0.123 0.000 2.250 866 E HA -0.193 4.159 4.350 0.004 0.000 0.192 866 E C 2.102 178.698 176.600 -0.006 0.000 0.986 866 E CA 0.383 56.747 56.400 -0.061 0.000 0.849 866 E CB 0.186 29.873 29.700 -0.021 0.000 0.797 866 E HN 0.365 nan 8.360 nan 0.000 0.482 867 R N 0.167 120.657 120.500 -0.017 0.000 2.090 867 R HA 0.007 4.350 4.340 0.004 0.000 0.228 867 R C 2.188 178.512 176.300 0.040 0.000 1.110 867 R CA 1.261 57.355 56.100 -0.011 0.000 0.973 867 R CB -0.152 30.130 30.300 -0.030 0.000 0.869 867 R HN 0.129 nan 8.270 nan 0.000 0.440 868 A N 1.493 124.321 122.820 0.012 0.000 1.872 868 A HA -0.180 4.142 4.320 0.004 0.000 0.214 868 A C 1.971 179.564 177.584 0.016 0.000 1.187 868 A CA 1.348 53.392 52.037 0.012 0.000 0.614 868 A CB -0.863 18.127 19.000 -0.017 0.000 0.826 868 A HN 0.565 nan 8.150 nan 0.000 0.442 869 N N -0.080 118.621 118.700 0.001 0.000 2.137 869 N HA -0.283 4.459 4.740 0.004 0.000 0.190 869 N C 1.722 177.250 175.510 0.031 0.000 1.017 869 N CA 2.045 55.094 53.050 -0.002 0.000 0.859 869 N CB -0.661 37.814 38.487 -0.020 0.000 1.002 869 N HN 0.704 nan 8.380 nan 0.000 0.428 870 H N 0.359 119.411 119.070 -0.030 0.000 2.428 870 H HA 0.082 4.640 4.556 0.004 0.000 0.296 870 H C 1.244 176.561 175.328 -0.019 0.000 1.062 870 H CA 1.057 57.093 56.048 -0.020 0.000 1.350 870 H CB 0.261 30.015 29.762 -0.012 0.000 1.403 870 H HN 0.265 nan 8.280 nan 0.000 0.533 871 K N 0.075 120.554 120.400 0.132 0.000 2.356 871 K HA 0.014 4.336 4.320 0.004 0.000 0.195 871 K C 1.983 178.572 176.600 -0.019 0.000 1.037 871 K CA -0.193 56.132 56.287 0.064 0.000 1.014 871 K CB 0.478 33.043 32.500 0.109 0.000 0.815 871 K HN 0.146 nan 8.250 nan 0.000 0.507 872 L N 1.388 122.596 121.223 -0.026 0.000 2.179 872 L HA -0.029 4.313 4.340 0.004 0.000 0.208 872 L C 0.969 177.803 176.870 -0.060 0.000 1.096 872 L CA 1.713 56.527 54.840 -0.044 0.000 0.779 872 L CB -0.200 41.833 42.059 -0.043 0.000 0.922 872 L HN -0.034 nan 8.230 nan 0.000 0.443 873 K N -0.098 120.256 120.400 -0.077 0.000 2.589 873 K HA 0.097 4.419 4.320 0.004 0.000 0.204 873 K C 1.084 177.619 176.600 -0.108 0.000 1.029 873 K CA 0.052 56.286 56.287 -0.088 0.000 1.177 873 K CB 0.503 32.945 32.500 -0.097 0.000 0.902 873 K HN 0.290 nan 8.250 nan 0.000 0.501 874 L N -0.762 120.402 121.223 -0.098 0.000 3.406 874 L HA 0.200 4.542 4.340 0.004 0.000 0.309 874 L C 0.942 177.775 176.870 -0.061 0.000 1.159 874 L CA 0.306 55.090 54.840 -0.093 0.000 1.122 874 L CB 0.364 42.349 42.059 -0.124 0.000 1.633 874 L HN 0.048 nan 8.230 nan 0.000 0.607 875 M N -1.338 118.226 119.600 -0.059 0.000 2.491 875 M HA 0.133 4.615 4.480 0.004 0.000 0.259 875 M C 1.889 178.156 176.300 -0.055 0.000 1.163 875 M CA 0.736 56.001 55.300 -0.058 0.000 1.109 875 M CB 0.361 32.919 32.600 -0.070 0.000 1.353 875 M HN -0.076 nan 8.290 nan 0.000 0.500 876 V N 0.968 120.852 119.914 -0.051 0.000 2.535 876 V HA -0.051 4.071 4.120 0.004 0.000 0.246 876 V C -0.780 175.297 176.094 -0.030 0.000 1.045 876 V CA 1.430 63.706 62.300 -0.039 0.000 1.058 876 V CB -1.433 30.368 31.823 -0.036 0.000 0.689 876 V HN 0.185 nan 8.190 nan 0.000 0.461 877 P HA -0.091 nan 4.420 nan 0.000 0.217 877 P C 1.747 179.033 177.300 -0.024 0.000 1.151 877 P CA 1.198 64.279 63.100 -0.031 0.000 0.828 877 P CB -0.067 31.607 31.700 -0.044 0.000 0.788 878 M N -1.813 117.770 119.600 -0.029 0.000 2.394 878 M HA -0.011 4.471 4.480 0.004 0.000 0.264 878 M C 1.951 178.243 176.300 -0.014 0.000 1.073 878 M CA 1.446 56.734 55.300 -0.021 0.000 1.111 878 M CB -1.963 30.621 32.600 -0.027 0.000 1.401 878 M HN -0.120 nan 8.290 nan 0.000 0.448 879 T N -0.643 113.901 114.554 -0.018 0.000 3.067 879 T HA 0.113 4.465 4.350 0.004 0.000 0.261 879 T C 1.584 176.291 174.700 0.010 0.000 1.110 879 T CA 0.679 62.773 62.100 -0.010 0.000 1.113 879 T CB 0.079 68.936 68.868 -0.018 0.000 0.917 879 T HN 0.298 nan 8.240 nan 0.000 0.499 880 L N -0.189 121.044 121.223 0.016 0.000 2.354 880 L HA 0.235 4.577 4.340 0.004 0.000 0.212 880 L C 2.635 179.550 176.870 0.075 0.000 1.091 880 L CA 0.244 55.112 54.840 0.046 0.000 0.828 880 L CB -0.273 41.806 42.059 0.033 0.000 0.973 880 L HN 0.241 nan 8.230 nan 0.000 0.461 881 M N -0.390 119.236 119.600 0.043 0.000 2.117 881 M HA -0.190 4.292 4.480 0.004 0.000 0.262 881 M C 2.324 178.674 176.300 0.084 0.000 1.065 881 M CA 1.771 57.104 55.300 0.054 0.000 1.114 881 M CB -0.341 32.270 32.600 0.018 0.000 1.361 881 M HN 0.240 nan 8.290 nan 0.000 0.408 882 I N 0.170 120.772 120.570 0.053 0.000 2.761 882 I HA -0.138 4.034 4.170 0.004 0.000 0.261 882 I C 1.899 178.043 176.117 0.045 0.000 1.198 882 I CA 0.796 62.122 61.300 0.044 0.000 1.482 882 I CB -0.324 37.684 38.000 0.013 0.000 1.100 882 I HN 0.068 nan 8.210 nan 0.000 0.445 883 I N -0.517 120.087 120.570 0.057 0.000 2.286 883 I HA -0.215 3.957 4.170 0.004 0.000 0.245 883 I C 2.121 178.280 176.117 0.071 0.000 1.104 883 I CA 1.501 62.825 61.300 0.041 0.000 1.397 883 I CB -0.553 37.473 38.000 0.043 0.000 1.072 883 I HN 0.250 nan 8.210 nan 0.000 0.417 884 F N 0.046 120.007 119.950 0.018 0.000 2.335 884 F HA 0.042 4.571 4.527 0.004 0.000 0.296 884 F C 1.840 177.717 175.800 0.129 0.000 1.091 884 F CA 0.738 58.769 58.000 0.052 0.000 1.399 884 F CB -0.029 38.984 39.000 0.022 0.000 1.067 884 F HN -0.228 nan 8.300 nan 0.000 0.520 885 V N 1.540 121.636 119.914 0.303 0.000 3.458 885 V HA -0.089 4.033 4.120 0.004 0.000 0.318 885 V C 0.590 176.751 176.094 0.111 0.000 1.182 885 V CA 1.006 63.467 62.300 0.269 0.000 1.303 885 V CB -0.938 30.996 31.823 0.184 0.000 1.073 885 V HN 0.397 nan 8.190 nan 0.000 0.418 886 L N -2.015 119.213 121.223 0.008 0.000 4.194 886 L HA 0.268 4.611 4.340 0.004 0.000 0.409 886 L C 1.358 178.087 176.870 -0.234 0.000 1.084 886 L CA 0.417 55.175 54.840 -0.138 0.000 1.510 886 L CB 0.257 42.247 42.059 -0.114 0.000 1.780 886 L HN 0.146 nan 8.230 nan 0.000 0.634 887 L N -0.406 120.652 121.223 -0.274 0.000 2.478 887 L HA -0.073 4.269 4.340 0.004 0.000 0.223 887 L C 1.862 178.490 176.870 -0.403 0.000 1.140 887 L CA 1.207 55.831 54.840 -0.360 0.000 0.842 887 L CB 0.071 41.876 42.059 -0.425 0.000 0.953 887 L HN 0.546 nan 8.230 nan 0.000 0.452 888 Y N -2.270 117.700 120.300 -0.549 0.000 2.444 888 Y HA 0.156 4.708 4.550 0.004 0.000 0.252 888 Y C 1.773 177.523 175.900 -0.251 0.000 1.091 888 Y CA -0.188 57.669 58.100 -0.405 0.000 1.276 888 Y CB -0.200 38.002 38.460 -0.429 0.000 1.170 888 Y HN 0.009 nan 8.280 nan 0.000 0.517 889 L N 2.199 122.906 121.223 -0.859 0.000 1.933 889 L HA -0.115 4.227 4.340 0.004 0.000 0.220 889 L C 2.511 179.040 176.870 -0.568 0.000 1.078 889 L CA 2.795 57.133 54.840 -0.835 0.000 0.773 889 L CB -1.070 40.660 42.059 -0.548 0.000 0.890 889 L HN 0.185 nan 8.230 nan 0.000 0.434 890 A N -1.286 121.161 122.820 -0.623 0.000 2.076 890 A HA -0.123 4.199 4.320 0.004 0.000 0.220 890 A C 1.741 179.088 177.584 -0.395 0.000 1.160 890 A CA 1.984 53.624 52.037 -0.662 0.000 0.653 890 A CB -0.917 17.445 19.000 -1.063 0.000 0.801 890 A HN 0.718 nan 8.150 nan 0.000 0.455 891 F N -3.945 115.937 119.950 -0.113 0.000 2.817 891 F HA 0.308 4.837 4.527 0.003 0.000 0.333 891 F C 1.315 177.116 175.800 0.002 0.000 1.085 891 F CA 0.041 58.016 58.000 -0.041 0.000 1.170 891 F CB 0.569 39.548 39.000 -0.034 0.000 1.066 891 F HN 0.209 nan 8.300 nan 0.000 0.564 892 R N 1.026 121.607 120.500 0.134 0.000 1.175 892 R HA -0.259 4.083 4.340 0.004 0.000 0.012 892 R C 0.454 176.910 176.300 0.259 0.000 0.961 892 R CA 1.184 57.405 56.100 0.201 0.000 1.989 892 R CB -0.913 29.486 30.300 0.166 0.000 0.117 892 R HN 0.236 nan 8.270 nan 0.000 0.732 893 R N 1.290 121.904 120.500 0.189 0.000 2.390 893 R HA 0.281 4.624 4.340 0.004 0.000 0.291 893 R C 1.166 177.546 176.300 0.134 0.000 1.070 893 R CA 0.725 56.916 56.100 0.152 0.000 1.014 893 R CB 1.422 31.801 30.300 0.132 0.000 1.007 893 R HN 0.277 nan 8.270 nan 0.000 0.466 894 V N 4.749 124.747 119.914 0.139 0.000 2.407 894 V HA -0.085 4.037 4.120 0.004 0.000 0.248 894 V C 1.787 177.958 176.094 0.128 0.000 1.055 894 V CA 2.608 65.016 62.300 0.181 0.000 1.049 894 V CB -0.800 31.139 31.823 0.193 0.000 0.662 894 V HN 1.043 nan 8.190 nan 0.000 0.455 895 G N 0.374 109.219 108.800 0.075 0.000 2.503 895 G HA2 -0.364 3.598 3.960 0.004 0.000 0.221 895 G HA3 -0.364 3.598 3.960 0.004 0.000 0.221 895 G C 1.298 176.168 174.900 -0.050 0.000 1.131 895 G CA 1.241 46.356 45.100 0.025 0.000 0.756 895 G HN 0.807 nan 8.290 nan 0.000 0.572 896 E N 0.670 120.815 120.200 -0.091 0.000 2.051 896 E HA 0.069 4.421 4.350 0.004 0.000 0.192 896 E C 2.647 179.230 176.600 -0.029 0.000 0.991 896 E CA 1.172 57.491 56.400 -0.134 0.000 0.799 896 E CB -0.550 29.103 29.700 -0.078 0.000 0.748 896 E HN 0.322 nan 8.360 nan 0.000 0.449 897 A N 2.132 124.964 122.820 0.021 0.000 1.865 897 A HA -0.136 4.186 4.320 0.004 0.000 0.217 897 A C 2.376 180.035 177.584 0.124 0.000 1.191 897 A CA 1.398 53.460 52.037 0.042 0.000 0.623 897 A CB -0.779 18.220 19.000 -0.002 0.000 0.826 897 A HN 0.319 nan 8.150 nan 0.000 0.444 898 L N -0.380 120.938 121.223 0.158 0.000 2.189 898 L HA -0.184 4.158 4.340 0.004 0.000 0.214 898 L C 2.487 179.404 176.870 0.078 0.000 1.097 898 L CA 1.489 56.402 54.840 0.122 0.000 0.764 898 L CB -0.988 41.130 42.059 0.097 0.000 0.900 898 L HN 0.504 nan 8.230 nan 0.000 0.436 899 L N -0.151 121.097 121.223 0.042 0.000 2.044 899 L HA -0.173 4.170 4.340 0.004 0.000 0.205 899 L C 2.452 179.343 176.870 0.036 0.000 1.075 899 L CA 1.336 56.188 54.840 0.022 0.000 0.747 899 L CB -0.338 41.695 42.059 -0.043 0.000 0.903 899 L HN 0.214 nan 8.230 nan 0.000 0.435 900 I N -0.009 120.580 120.570 0.032 0.000 2.454 900 I HA -0.287 3.886 4.170 0.004 0.000 0.254 900 I C 2.183 178.331 176.117 0.052 0.000 1.156 900 I CA 1.630 62.952 61.300 0.037 0.000 1.433 900 I CB -0.442 37.572 38.000 0.023 0.000 1.082 900 I HN 0.289 nan 8.210 nan 0.000 0.432 901 I N 0.549 121.160 120.570 0.069 0.000 2.584 901 I HA -0.158 4.014 4.170 0.004 0.000 0.255 901 I C 2.201 178.369 176.117 0.084 0.000 1.145 901 I CA 0.783 62.129 61.300 0.076 0.000 1.462 901 I CB 0.018 38.075 38.000 0.095 0.000 1.102 901 I HN 0.157 nan 8.210 nan 0.000 0.433 902 S N -0.451 115.307 115.700 0.096 0.000 2.527 902 S HA -0.080 4.393 4.470 0.004 0.000 0.222 902 S C 1.968 176.673 174.600 0.175 0.000 0.985 902 S CA 0.915 59.195 58.200 0.133 0.000 0.921 902 S CB 0.084 63.359 63.200 0.125 0.000 0.772 902 S HN 0.407 nan 8.310 nan 0.000 0.529 903 S N 1.373 117.144 115.700 0.118 0.000 2.406 903 S HA -0.018 4.454 4.470 0.004 0.000 0.224 903 S C 2.015 176.696 174.600 0.134 0.000 1.030 903 S CA 0.965 59.227 58.200 0.104 0.000 0.958 903 S CB -0.387 62.846 63.200 0.055 0.000 0.811 903 S HN 0.374 nan 8.310 nan 0.000 0.489 904 V N 2.388 122.360 119.914 0.096 0.000 2.270 904 V HA 0.069 4.191 4.120 0.004 0.000 0.245 904 V C -1.003 175.128 176.094 0.062 0.000 1.043 904 V CA 1.682 64.018 62.300 0.060 0.000 1.014 904 V CB -1.726 30.105 31.823 0.012 0.000 0.645 904 V HN 0.321 nan 8.190 nan 0.000 0.447 905 P HA -0.169 nan 4.420 nan 0.000 0.218 905 P C 1.434 178.746 177.300 0.019 0.000 1.147 905 P CA 1.887 64.999 63.100 0.020 0.000 0.827 905 P CB -0.226 31.499 31.700 0.042 0.000 0.778 906 F N -0.430 119.536 119.950 0.026 0.000 2.163 906 F HA -0.056 4.473 4.527 0.004 0.000 0.297 906 F C 2.463 178.288 175.800 0.042 0.000 1.094 906 F CA 1.257 59.289 58.000 0.053 0.000 1.290 906 F CB -1.161 37.875 39.000 0.060 0.000 1.017 906 F HN -0.139 nan 8.300 nan 0.000 0.483 907 A N 0.693 123.631 122.820 0.196 0.000 1.873 907 A HA -0.220 4.102 4.320 0.004 0.000 0.218 907 A C 2.196 179.789 177.584 0.015 0.000 1.193 907 A CA 2.073 54.166 52.037 0.093 0.000 0.629 907 A CB -1.340 17.690 19.000 0.049 0.000 0.826 907 A HN 0.412 nan 8.150 nan 0.000 0.447 908 L N -0.580 120.583 121.223 -0.100 0.000 2.079 908 L HA -0.187 4.155 4.340 0.004 0.000 0.210 908 L C 2.414 179.254 176.870 -0.050 0.000 1.081 908 L CA 1.156 55.820 54.840 -0.292 0.000 0.752 908 L CB -0.925 40.860 42.059 -0.457 0.000 0.896 908 L HN 0.231 nan 8.230 nan 0.000 0.433 909 V N 0.634 120.574 119.914 0.043 0.000 2.307 909 V HA -0.161 3.961 4.120 0.004 0.000 0.245 909 V C 2.725 179.053 176.094 0.390 0.000 1.045 909 V CA 2.044 64.463 62.300 0.198 0.000 1.024 909 V CB -1.255 30.613 31.823 0.074 0.000 0.651 909 V HN 0.546 nan 8.190 nan 0.000 0.449 910 G N -0.082 108.873 108.800 0.258 0.000 2.440 910 G HA2 -0.162 3.800 3.960 0.004 0.000 0.218 910 G HA3 -0.162 3.800 3.960 0.004 0.000 0.218 910 G C 1.526 176.581 174.900 0.258 0.000 1.154 910 G CA 1.091 46.337 45.100 0.244 0.000 0.767 910 G HN 0.589 nan 8.290 nan 0.000 0.552 911 G N 1.163 110.082 108.800 0.198 0.000 2.736 911 G HA2 -0.229 3.733 3.960 0.004 0.000 0.214 911 G HA3 -0.229 3.733 3.960 0.004 0.000 0.214 911 G C 1.711 176.774 174.900 0.271 0.000 1.327 911 G CA 0.773 45.995 45.100 0.204 0.000 0.818 911 G HN 0.288 nan 8.290 nan 0.000 0.611 912 I N -0.356 120.423 120.570 0.349 0.000 2.285 912 I HA -0.260 3.912 4.170 0.004 0.000 0.253 912 I C 2.400 178.599 176.117 0.137 0.000 1.104 912 I CA 1.972 63.427 61.300 0.258 0.000 1.372 912 I CB -0.406 37.743 38.000 0.249 0.000 1.057 912 I HN 0.460 nan 8.210 nan 0.000 0.431 913 W N 0.221 121.647 121.300 0.210 0.000 2.379 913 W HA -0.223 4.439 4.660 0.003 0.000 0.307 913 W C 2.352 179.006 176.519 0.224 0.000 1.200 913 W CA 0.715 58.215 57.345 0.259 0.000 1.297 913 W CB -0.740 28.853 29.460 0.222 0.000 1.140 913 W HN 0.131 nan 8.180 nan 0.000 0.507 914 L N 0.617 122.047 121.223 0.346 0.000 2.302 914 L HA -0.254 4.088 4.340 0.004 0.000 0.218 914 L C 1.685 178.595 176.870 0.066 0.000 1.100 914 L CA 1.829 56.748 54.840 0.132 0.000 0.774 914 L CB -1.041 41.037 42.059 0.032 0.000 0.896 914 L HN 0.088 nan 8.230 nan 0.000 0.439 915 L N -2.404 118.876 121.223 0.095 0.000 2.084 915 L HA -0.167 4.176 4.340 0.004 0.000 0.202 915 L C 2.445 179.437 176.870 0.203 0.000 1.074 915 L CA 1.504 56.341 54.840 -0.005 0.000 0.757 915 L CB -1.046 41.009 42.059 -0.006 0.000 0.918 915 L HN 0.531 nan 8.230 nan 0.000 0.444 916 W N 0.617 122.014 121.300 0.163 0.000 2.321 916 W HA -0.323 4.339 4.660 0.003 0.000 0.306 916 W C 2.249 178.979 176.519 0.352 0.000 1.217 916 W CA 1.294 58.792 57.345 0.255 0.000 1.257 916 W CB -0.632 29.042 29.460 0.357 0.000 1.145 916 W HN 0.313 nan 8.180 nan 0.000 0.509 917 W N 1.857 122.959 121.300 -0.330 0.000 2.290 917 W HA -0.348 4.314 4.660 0.004 0.000 0.328 917 W C 2.554 178.845 176.519 -0.381 0.000 1.272 917 W CA 3.352 60.405 57.345 -0.487 0.000 1.262 917 W CB -0.818 28.540 29.460 -0.170 0.000 1.151 917 W HN -0.197 nan 8.180 nan 0.000 0.473 918 M N 0.490 120.324 119.600 0.389 0.000 2.562 918 M HA 0.146 4.629 4.480 0.004 0.000 0.257 918 M C 1.517 177.962 176.300 0.241 0.000 1.099 918 M CA 1.266 56.781 55.300 0.358 0.000 1.099 918 M CB -0.731 32.065 32.600 0.327 0.000 1.427 918 M HN 0.296 nan 8.290 nan 0.000 0.489 919 G N 1.291 110.200 108.800 0.181 0.000 2.295 919 G HA2 -0.249 3.713 3.960 0.004 0.000 0.287 919 G HA3 -0.249 3.713 3.960 0.004 0.000 0.287 919 G C 0.092 175.239 174.900 0.412 0.000 1.055 919 G CA -0.259 45.025 45.100 0.306 0.000 0.922 919 G HN 0.238 nan 8.290 nan 0.000 0.503 920 F N 0.240 120.300 119.950 0.184 0.000 2.028 920 F HA 0.261 4.790 4.527 0.004 0.000 0.192 920 F C 2.285 178.244 175.800 0.264 0.000 0.804 920 F CA 1.503 59.655 58.000 0.254 0.000 1.122 920 F CB -0.026 38.974 39.000 -0.001 0.000 2.146 920 F HN 0.511 nan 8.300 nan 0.000 0.635 921 H N -2.240 116.891 119.070 0.101 0.000 3.090 921 H HA 0.209 4.767 4.556 0.004 0.000 0.206 921 H C 0.453 175.702 175.328 -0.131 0.000 0.936 921 H CA 0.341 56.330 56.048 -0.099 0.000 0.937 921 H CB 0.112 29.780 29.762 -0.157 0.000 1.091 921 H HN 0.445 nan 8.280 nan 0.000 0.605 922 L N 1.425 122.416 121.223 -0.387 0.000 0.585 922 L HA -0.159 4.183 4.340 0.004 0.000 0.356 922 L C -0.271 176.519 176.870 -0.134 0.000 0.973 922 L CA 1.033 55.711 54.840 -0.271 0.000 1.223 922 L CB -0.297 41.603 42.059 -0.265 0.000 0.012 922 L HN 1.035 nan 8.230 nan 0.000 0.091 923 S N -0.447 115.190 115.700 -0.104 0.000 4.063 923 S HA 0.378 4.850 4.470 0.004 0.000 0.275 923 S C -0.243 174.310 174.600 -0.078 0.000 1.029 923 S CA -0.230 57.970 58.200 -0.001 0.000 1.325 923 S CB 0.953 64.199 63.200 0.076 0.000 1.800 923 S HN 0.971 nan 8.310 nan 0.000 0.406 924 V N 1.184 121.049 119.914 -0.081 0.000 3.477 924 V HA 0.597 4.719 4.120 0.004 0.000 0.297 924 V C 1.923 177.950 176.094 -0.112 0.000 1.433 924 V CA 0.532 62.634 62.300 -0.331 0.000 1.052 924 V CB -0.083 31.279 31.823 -0.769 0.000 0.895 924 V HN 0.898 nan 8.190 nan 0.000 0.438 925 A N 1.576 124.472 122.820 0.126 0.000 1.850 925 A HA -0.081 4.241 4.320 0.004 0.000 0.212 925 A C 2.447 180.089 177.584 0.097 0.000 1.208 925 A CA 2.044 54.216 52.037 0.224 0.000 0.609 925 A CB -0.849 18.271 19.000 0.200 0.000 0.860 925 A HN 0.535 nan 8.150 nan 0.000 0.448 926 T N -2.093 112.455 114.554 -0.010 0.000 2.708 926 T HA -0.044 4.308 4.350 0.004 0.000 0.266 926 T C 1.911 176.517 174.700 -0.157 0.000 1.037 926 T CA 1.684 63.722 62.100 -0.104 0.000 1.146 926 T CB -1.265 67.451 68.868 -0.253 0.000 0.865 926 T HN 0.555 nan 8.240 nan 0.000 0.435 927 G N 0.390 109.072 108.800 -0.197 0.000 2.591 927 G HA2 -0.114 3.848 3.960 0.004 0.000 0.218 927 G HA3 -0.114 3.848 3.960 0.004 0.000 0.218 927 G C 1.363 176.197 174.900 -0.110 0.000 1.113 927 G CA 1.378 46.362 45.100 -0.193 0.000 0.740 927 G HN 0.589 nan 8.290 nan 0.000 0.569 928 T N -0.744 113.790 114.554 -0.034 0.000 3.056 928 T HA 0.187 4.539 4.350 0.004 0.000 0.243 928 T C 2.525 177.297 174.700 0.120 0.000 0.995 928 T CA 0.689 62.788 62.100 -0.002 0.000 1.091 928 T CB -0.193 68.744 68.868 0.115 0.000 0.990 928 T HN 0.260 nan 8.240 nan 0.000 0.464 929 G N 1.617 110.513 108.800 0.160 0.000 2.529 929 G HA2 -0.259 3.703 3.960 0.004 0.000 0.219 929 G HA3 -0.259 3.703 3.960 0.004 0.000 0.219 929 G C 1.278 176.334 174.900 0.260 0.000 1.177 929 G CA 0.805 46.024 45.100 0.197 0.000 0.773 929 G HN 0.365 nan 8.290 nan 0.000 0.573 930 F N 0.708 120.669 119.950 0.018 0.000 2.176 930 F HA -0.117 4.412 4.527 0.004 0.000 0.301 930 F C 2.505 178.307 175.800 0.004 0.000 1.071 930 F CA 0.538 58.541 58.000 0.004 0.000 1.289 930 F CB -0.072 38.913 39.000 -0.025 0.000 1.028 930 F HN 0.084 nan 8.300 nan 0.000 0.494 931 I N -1.553 119.111 120.570 0.157 0.000 2.731 931 I HA -0.013 4.159 4.170 0.004 0.000 0.260 931 I C 2.446 178.643 176.117 0.135 0.000 1.138 931 I CA 1.156 62.497 61.300 0.068 0.000 1.461 931 I CB -1.478 36.465 38.000 -0.095 0.000 1.128 931 I HN 0.004 nan 8.210 nan 0.000 0.438 932 A N 1.015 123.957 122.820 0.202 0.000 2.014 932 A HA -0.123 4.200 4.320 0.004 0.000 0.218 932 A C 2.324 179.967 177.584 0.097 0.000 1.163 932 A CA 0.792 52.946 52.037 0.195 0.000 0.652 932 A CB -0.588 18.541 19.000 0.216 0.000 0.808 932 A HN 0.403 nan 8.150 nan 0.000 0.449 933 L N -0.247 121.030 121.223 0.090 0.000 1.955 933 L HA -0.175 4.168 4.340 0.004 0.000 0.213 933 L C 2.652 179.524 176.870 0.003 0.000 1.072 933 L CA 2.012 56.880 54.840 0.046 0.000 0.755 933 L CB -0.466 41.613 42.059 0.034 0.000 0.888 933 L HN 0.321 nan 8.230 nan 0.000 0.432 934 A N -0.383 122.422 122.820 -0.025 0.000 2.070 934 A HA -0.094 4.229 4.320 0.004 0.000 0.220 934 A C 2.172 179.741 177.584 -0.024 0.000 1.159 934 A CA 1.480 53.493 52.037 -0.041 0.000 0.656 934 A CB -1.302 17.661 19.000 -0.062 0.000 0.800 934 A HN 0.671 nan 8.150 nan 0.000 0.453 935 G N -1.122 107.672 108.800 -0.010 0.000 2.395 935 G HA2 -0.020 3.942 3.960 0.004 0.000 0.214 935 G HA3 -0.020 3.942 3.960 0.004 0.000 0.214 935 G C 1.573 176.413 174.900 -0.099 0.000 1.177 935 G CA 1.018 46.098 45.100 -0.032 0.000 0.794 935 G HN 0.457 nan 8.290 nan 0.000 0.532 936 V N 1.157 121.009 119.914 -0.104 0.000 2.453 936 V HA 0.148 4.270 4.120 0.004 0.000 0.247 936 V C 3.065 178.998 176.094 -0.268 0.000 1.048 936 V CA 2.224 64.380 62.300 -0.239 0.000 1.049 936 V CB -0.330 31.409 31.823 -0.141 0.000 0.672 936 V HN 0.382 nan 8.190 nan 0.000 0.457 937 A N -0.141 122.649 122.820 -0.050 0.000 1.969 937 A HA 0.039 4.362 4.320 0.004 0.000 0.218 937 A C 2.394 179.983 177.584 0.009 0.000 1.169 937 A CA 1.831 53.901 52.037 0.056 0.000 0.635 937 A CB -0.848 18.193 19.000 0.067 0.000 0.810 937 A HN 0.812 nan 8.150 nan 0.000 0.445 938 A N -0.454 122.340 122.820 -0.044 0.000 1.933 938 A HA -0.171 4.151 4.320 0.004 0.000 0.218 938 A C 2.065 179.601 177.584 -0.080 0.000 1.175 938 A CA 1.720 53.730 52.037 -0.044 0.000 0.628 938 A CB -0.397 18.572 19.000 -0.051 0.000 0.814 938 A HN 0.525 nan 8.150 nan 0.000 0.444 939 E N -0.731 119.352 120.200 -0.195 0.000 2.106 939 E HA -0.143 4.209 4.350 0.004 0.000 0.192 939 E C 1.382 177.859 176.600 -0.204 0.000 0.984 939 E CA 1.087 57.319 56.400 -0.279 0.000 0.806 939 E CB -0.195 29.211 29.700 -0.490 0.000 0.750 939 E HN 0.573 nan 8.360 nan 0.000 0.458 940 F N -0.181 119.769 119.950 -0.000 0.000 2.615 940 F HA 0.179 4.708 4.527 0.003 0.000 0.297 940 F C 2.333 178.142 175.800 0.015 0.000 1.124 940 F CA 0.807 58.812 58.000 0.007 0.000 1.451 940 F CB -0.620 38.375 39.000 -0.008 0.000 1.103 940 F HN 0.057 nan 8.300 nan 0.000 0.569 941 G N -0.388 108.504 108.800 0.154 0.000 2.430 941 G HA2 -0.081 3.881 3.960 0.004 0.000 0.216 941 G HA3 -0.081 3.881 3.960 0.004 0.000 0.216 941 G C 1.740 176.691 174.900 0.086 0.000 1.146 941 G CA 0.798 45.958 45.100 0.100 0.000 0.793 941 G HN 0.219 nan 8.290 nan 0.000 0.537 942 V N 0.484 120.446 119.914 0.080 0.000 2.548 942 V HA -0.095 4.027 4.120 0.004 0.000 0.249 942 V C 2.800 178.967 176.094 0.122 0.000 1.055 942 V CA 1.413 63.787 62.300 0.124 0.000 1.065 942 V CB 0.308 32.197 31.823 0.110 0.000 0.681 942 V HN 0.272 nan 8.190 nan 0.000 0.462 943 V N -0.464 119.500 119.914 0.084 0.000 2.548 943 V HA -0.170 3.952 4.120 0.004 0.000 0.249 943 V C 2.144 178.242 176.094 0.007 0.000 1.055 943 V CA 2.166 64.459 62.300 -0.010 0.000 1.065 943 V CB 0.114 31.977 31.823 0.066 0.000 0.681 943 V HN 0.528 nan 8.190 nan 0.000 0.462 944 M N -0.368 119.322 119.600 0.149 0.000 2.447 944 M HA 0.163 4.645 4.480 0.004 0.000 0.264 944 M C 1.621 178.000 176.300 0.131 0.000 1.095 944 M CA 1.463 56.890 55.300 0.211 0.000 1.125 944 M CB -0.464 32.238 32.600 0.171 0.000 1.389 944 M HN 0.327 nan 8.290 nan 0.000 0.459 945 L N -0.293 120.962 121.223 0.053 0.000 2.395 945 L HA -0.024 4.318 4.340 0.004 0.000 0.218 945 L C 1.834 178.620 176.870 -0.140 0.000 1.130 945 L CA 1.159 55.997 54.840 -0.003 0.000 0.826 945 L CB -0.511 41.535 42.059 -0.021 0.000 0.941 945 L HN 0.395 nan 8.230 nan 0.000 0.451 946 M N -1.444 118.004 119.600 -0.253 0.000 2.357 946 M HA -0.118 4.364 4.480 0.004 0.000 0.266 946 M C 1.688 177.817 176.300 -0.285 0.000 1.095 946 M CA 1.145 56.126 55.300 -0.532 0.000 1.156 946 M CB -0.572 31.663 32.600 -0.610 0.000 1.365 946 M HN 0.173 nan 8.290 nan 0.000 0.447 947 Y N 0.077 120.331 120.300 -0.076 0.000 2.716 947 Y HA -0.132 4.420 4.550 0.003 0.000 0.302 947 Y C 0.895 176.773 175.900 -0.037 0.000 1.160 947 Y CA 0.160 58.226 58.100 -0.057 0.000 1.362 947 Y CB 0.110 38.532 38.460 -0.065 0.000 0.988 947 Y HN 0.156 nan 8.280 nan 0.000 0.546 948 L N -1.445 119.847 121.223 0.115 0.000 3.298 948 L HA 0.221 4.563 4.340 0.004 0.000 0.296 948 L C 1.314 178.255 176.870 0.119 0.000 1.237 948 L CA 0.250 55.172 54.840 0.138 0.000 1.038 948 L CB 0.422 42.604 42.059 0.205 0.000 1.423 948 L HN -0.051 nan 8.230 nan 0.000 0.605 949 R N -1.796 118.722 120.500 0.030 0.000 2.551 949 R HA 0.188 4.530 4.340 0.004 0.000 0.202 949 R C 1.789 178.081 176.300 -0.012 0.000 0.861 949 R CA 0.315 56.422 56.100 0.011 0.000 1.018 949 R CB 0.018 30.286 30.300 -0.053 0.000 1.435 949 R HN 0.363 nan 8.270 nan 0.000 0.659 950 H N 0.363 119.356 119.070 -0.127 0.000 2.489 950 H HA 0.111 4.669 4.556 0.003 0.000 0.293 950 H C -0.218 175.108 175.328 -0.004 0.000 1.066 950 H CA 1.156 57.167 56.048 -0.061 0.000 1.305 950 H CB 0.406 30.126 29.762 -0.069 0.000 1.386 950 H HN 0.033 nan 8.280 nan 0.000 0.551 951 A N 2.332 125.062 122.820 -0.151 0.000 3.157 951 A HA 0.252 4.574 4.320 0.004 0.000 0.276 951 A C 1.068 178.589 177.584 -0.105 0.000 1.524 951 A CA -0.485 51.452 52.037 -0.167 0.000 1.236 951 A CB -0.732 18.272 19.000 0.007 0.000 1.173 951 A HN 0.384 nan 8.150 nan 0.000 0.595 952 I N 0.675 121.169 120.570 -0.127 0.000 3.550 952 I HA -0.114 4.058 4.170 0.004 0.000 0.295 952 I C 1.563 177.628 176.117 -0.087 0.000 1.291 952 I CA 0.993 62.245 61.300 -0.081 0.000 1.298 952 I CB -0.941 37.026 38.000 -0.057 0.000 1.026 952 I HN 0.779 nan 8.210 nan 0.000 0.491 953 E N 0.844 120.974 120.200 -0.118 0.000 2.473 953 E HA 0.179 4.532 4.350 0.004 0.000 0.204 953 E C 1.810 178.372 176.600 -0.063 0.000 0.994 953 E CA 0.468 56.814 56.400 -0.090 0.000 0.945 953 E CB 0.268 29.900 29.700 -0.114 0.000 0.990 953 E HN 0.289 nan 8.360 nan 0.000 0.493 954 A N 1.481 124.267 122.820 -0.057 0.000 2.044 954 A HA 0.137 4.459 4.320 0.004 0.000 0.213 954 A C 2.331 179.848 177.584 -0.111 0.000 1.169 954 A CA 0.179 52.177 52.037 -0.065 0.000 0.724 954 A CB -0.261 18.744 19.000 0.008 0.000 0.840 954 A HN 0.091 nan 8.150 nan 0.000 0.463 955 V N 1.242 121.104 119.914 -0.088 0.000 2.287 955 V HA -0.130 3.992 4.120 0.004 0.000 0.248 955 V C -0.341 175.702 176.094 -0.085 0.000 1.053 955 V CA 2.590 64.835 62.300 -0.092 0.000 1.027 955 V CB -1.093 30.686 31.823 -0.073 0.000 0.646 955 V HN 0.531 nan 8.190 nan 0.000 0.447 956 P HA 0.037 nan 4.420 nan 0.000 0.252 956 P C 1.767 179.033 177.300 -0.056 0.000 1.218 956 P CA 1.208 64.274 63.100 -0.056 0.000 0.807 956 P CB 0.247 31.922 31.700 -0.042 0.000 1.072 957 S N 0.838 116.499 115.700 -0.065 0.000 2.382 957 S HA -0.115 4.357 4.470 0.004 0.000 0.228 957 S C 1.934 176.491 174.600 -0.072 0.000 1.027 957 S CA 1.169 59.333 58.200 -0.060 0.000 0.991 957 S CB -1.641 61.523 63.200 -0.060 0.000 0.823 957 S HN 0.104 nan 8.310 nan 0.000 0.469 958 L N 0.644 121.808 121.223 -0.098 0.000 2.249 958 L HA 0.233 4.575 4.340 0.004 0.000 0.207 958 L C 0.757 177.577 176.870 -0.083 0.000 1.090 958 L CA -0.150 54.627 54.840 -0.104 0.000 0.802 958 L CB -1.301 40.668 42.059 -0.150 0.000 0.947 958 L HN 0.124 nan 8.230 nan 0.000 0.453 959 N N 2.837 121.490 118.700 -0.078 0.000 1.903 959 N HA -0.164 4.578 4.740 0.004 0.000 0.309 959 N C -0.049 175.429 175.510 -0.053 0.000 1.241 959 N CA 0.696 53.709 53.050 -0.063 0.000 0.802 959 N CB 0.007 38.464 38.487 -0.050 0.000 1.026 959 N HN 0.396 nan 8.380 nan 0.000 0.492 960 N N 0.395 119.065 118.700 -0.051 0.000 2.571 960 N HA 0.269 5.011 4.740 0.004 0.000 0.298 960 N C -2.930 172.560 175.510 -0.033 0.000 1.671 960 N CA -1.050 51.973 53.050 -0.045 0.000 0.900 960 N CB 0.076 38.528 38.487 -0.057 0.000 1.365 960 N HN 0.236 nan 8.380 nan 0.000 0.493 961 P HA 0.377 nan 4.420 nan 0.000 0.279 961 P C 0.281 177.589 177.300 0.013 0.000 1.239 961 P CA 0.139 63.241 63.100 0.003 0.000 0.789 961 P CB 1.886 33.587 31.700 0.002 0.000 0.933 962 Q N 0.613 120.439 119.800 0.042 0.000 7.943 962 Q HA -0.072 4.271 4.340 0.004 0.000 0.369 962 Q C 0.445 176.502 176.000 0.095 0.000 0.942 962 Q CA 0.761 56.592 55.803 0.047 0.000 0.541 962 Q CB -1.091 27.658 28.738 0.019 0.000 0.164 962 Q HN 0.346 nan 8.270 nan 0.000 0.898 963 T N 2.279 116.874 114.554 0.069 0.000 3.206 963 T HA 0.407 4.759 4.350 0.004 0.000 0.253 963 T C -0.189 174.530 174.700 0.031 0.000 1.042 963 T CA 0.339 62.493 62.100 0.090 0.000 0.931 963 T CB -1.017 67.833 68.868 -0.030 0.000 1.029 963 T HN 0.604 nan 8.240 nan 0.000 0.564 964 F N 0.730 120.660 119.950 -0.033 0.000 1.677 964 F HA -0.216 4.313 4.527 0.003 0.000 0.246 964 F C 0.211 175.984 175.800 -0.045 0.000 0.747 964 F CA -0.248 57.729 58.000 -0.038 0.000 0.791 964 F CB -1.758 37.223 39.000 -0.032 0.000 1.323 964 F HN 0.337 nan 8.300 nan 0.000 0.690 965 S N -0.589 115.073 115.700 -0.064 0.000 4.086 965 S HA -0.046 4.426 4.470 0.004 0.000 0.627 965 S C 0.081 174.577 174.600 -0.174 0.000 1.963 965 S CA 0.776 58.884 58.200 -0.153 0.000 4.120 965 S CB -0.994 62.006 63.200 -0.334 0.000 0.214 965 S HN 1.960 nan 8.310 nan 0.000 0.593 966 E N -0.215 119.855 120.200 -0.217 0.000 6.317 966 E HA -0.155 4.197 4.350 0.004 0.000 0.457 966 E C 0.184 176.708 176.600 -0.127 0.000 1.396 966 E CA 0.656 56.955 56.400 -0.168 0.000 2.717 966 E CB -1.244 28.373 29.700 -0.139 0.000 1.362 966 E HN 0.831 nan 8.360 nan 0.000 0.383 967 Q N 0.771 120.509 119.800 -0.103 0.000 2.322 967 Q HA 0.004 4.346 4.340 0.004 0.000 0.203 967 Q C 1.434 177.390 176.000 -0.072 0.000 0.923 967 Q CA 0.598 56.357 55.803 -0.073 0.000 0.949 967 Q CB 0.173 28.877 28.738 -0.057 0.000 1.039 967 Q HN 0.296 nan 8.270 nan 0.000 0.496 968 K N 0.749 121.089 120.400 -0.099 0.000 2.242 968 K HA -0.051 4.272 4.320 0.004 0.000 0.200 968 K C 1.885 178.397 176.600 -0.146 0.000 1.050 968 K CA 0.574 56.788 56.287 -0.122 0.000 0.981 968 K CB 0.029 32.463 32.500 -0.110 0.000 0.795 968 K HN 0.303 nan 8.250 nan 0.000 0.477 969 L N 0.979 122.132 121.223 -0.117 0.000 2.046 969 L HA -0.052 4.290 4.340 0.004 0.000 0.208 969 L C 2.138 178.935 176.870 -0.121 0.000 1.077 969 L CA 2.014 56.788 54.840 -0.110 0.000 0.747 969 L CB -1.505 40.509 42.059 -0.075 0.000 0.896 969 L HN 0.040 nan 8.230 nan 0.000 0.432 970 D N 0.832 121.174 120.400 -0.095 0.000 2.149 970 D HA -0.266 4.377 4.640 0.004 0.000 0.198 970 D C 1.926 178.107 176.300 -0.199 0.000 0.990 970 D CA 1.669 55.639 54.000 -0.050 0.000 0.839 970 D CB 0.089 40.902 40.800 0.021 0.000 0.948 970 D HN 0.844 nan 8.370 nan 0.000 0.460 971 E N -0.796 119.186 120.200 -0.364 0.000 2.479 971 E HA 0.209 4.561 4.350 0.004 0.000 0.193 971 E C 1.277 177.429 176.600 -0.745 0.000 1.049 971 E CA 0.166 55.993 56.400 -0.954 0.000 0.870 971 E CB 0.268 29.673 29.700 -0.493 0.000 0.944 971 E HN 0.135 nan 8.360 nan 0.000 0.492 972 A N 0.426 122.987 122.820 -0.431 0.000 2.275 972 A HA 0.208 4.530 4.320 0.004 0.000 0.212 972 A C 1.493 179.024 177.584 -0.089 0.000 1.201 972 A CA 0.098 51.935 52.037 -0.334 0.000 0.843 972 A CB 0.060 18.939 19.000 -0.202 0.000 0.873 972 A HN 0.214 nan 8.150 nan 0.000 0.492 973 L N -2.045 119.103 121.223 -0.126 0.000 2.488 973 L HA 0.112 4.455 4.340 0.004 0.000 0.186 973 L C 2.126 179.060 176.870 0.106 0.000 1.124 973 L CA 1.348 56.216 54.840 0.047 0.000 0.838 973 L CB -1.223 40.850 42.059 0.024 0.000 1.107 973 L HN 0.599 nan 8.230 nan 0.000 0.494 974 Y N -0.886 119.468 120.300 0.090 0.000 2.736 974 Y HA -0.200 4.352 4.550 0.004 0.000 0.298 974 Y C 2.299 178.290 175.900 0.152 0.000 1.156 974 Y CA 1.260 59.398 58.100 0.063 0.000 1.384 974 Y CB -1.540 36.898 38.460 -0.036 0.000 0.976 974 Y HN 0.536 nan 8.280 nan 0.000 0.556 975 H N -1.638 117.435 119.070 0.006 0.000 2.344 975 H HA 0.249 4.807 4.556 0.003 0.000 0.307 975 H C 2.318 177.662 175.328 0.026 0.000 1.057 975 H CA 0.614 56.686 56.048 0.041 0.000 1.373 975 H CB -0.733 29.004 29.762 -0.042 0.000 1.421 975 H HN 0.200 nan 8.280 nan 0.000 0.532 976 G N 0.018 108.434 108.800 -0.641 0.000 2.679 976 G HA2 -0.023 3.939 3.960 0.004 0.000 0.212 976 G HA3 -0.023 3.939 3.960 0.004 0.000 0.212 976 G C 1.562 176.378 174.900 -0.139 0.000 1.137 976 G CA 0.439 45.251 45.100 -0.480 0.000 0.787 976 G HN 0.649 nan 8.290 nan 0.000 0.534 977 A N -0.041 122.814 122.820 0.059 0.000 1.887 977 A HA 0.233 4.555 4.320 0.004 0.000 0.212 977 A C 2.400 180.227 177.584 0.406 0.000 1.198 977 A CA 1.292 53.521 52.037 0.321 0.000 0.628 977 A CB -0.544 18.563 19.000 0.179 0.000 0.847 977 A HN 0.469 nan 8.150 nan 0.000 0.449 978 V N 0.874 120.942 119.914 0.257 0.000 2.719 978 V HA -0.109 4.013 4.120 0.004 0.000 0.252 978 V C 2.207 178.337 176.094 0.061 0.000 1.065 978 V CA 1.905 64.328 62.300 0.204 0.000 1.086 978 V CB -0.597 31.360 31.823 0.222 0.000 0.700 978 V HN 0.582 nan 8.190 nan 0.000 0.467 979 L N 1.050 122.243 121.223 -0.050 0.000 2.291 979 L HA 0.074 4.416 4.340 0.004 0.000 0.214 979 L C 2.285 179.032 176.870 -0.205 0.000 1.120 979 L CA 2.063 56.803 54.840 -0.167 0.000 0.799 979 L CB -1.356 40.493 42.059 -0.349 0.000 0.925 979 L HN 0.454 nan 8.230 nan 0.000 0.446 980 R N 1.086 121.479 120.500 -0.178 0.000 2.276 980 R HA 0.128 4.470 4.340 0.004 0.000 0.196 980 R C 1.462 177.703 176.300 -0.098 0.000 0.961 980 R CA 1.022 57.037 56.100 -0.141 0.000 1.024 980 R CB -1.435 28.817 30.300 -0.079 0.000 0.940 980 R HN 0.394 nan 8.270 nan 0.000 0.480 981 V N -3.099 116.773 119.914 -0.070 0.000 3.647 981 V HA 0.360 4.482 4.120 0.004 0.000 0.279 981 V C 1.764 177.883 176.094 0.041 0.000 1.314 981 V CA 0.106 62.369 62.300 -0.062 0.000 1.125 981 V CB -0.277 31.496 31.823 -0.083 0.000 0.907 981 V HN 0.144 nan 8.190 nan 0.000 0.434 982 R N 0.691 121.228 120.500 0.060 0.000 2.087 982 R HA 0.238 4.580 4.340 0.004 0.000 0.213 982 R C -0.381 176.002 176.300 0.138 0.000 1.137 982 R CA 1.106 57.308 56.100 0.171 0.000 1.022 982 R CB -0.773 29.617 30.300 0.150 0.000 0.920 982 R HN 0.469 nan 8.270 nan 0.000 0.451 983 P HA -0.068 nan 4.420 nan 0.000 0.214 983 P C 0.465 177.703 177.300 -0.104 0.000 1.162 983 P CA 1.351 64.453 63.100 0.002 0.000 0.874 983 P CB 0.179 31.901 31.700 0.037 0.000 0.784 984 K N -0.378 119.924 120.400 -0.163 0.000 2.217 984 K HA 0.080 4.402 4.320 0.004 0.000 0.202 984 K C 2.059 178.460 176.600 -0.333 0.000 1.051 984 K CA 1.210 57.267 56.287 -0.383 0.000 0.952 984 K CB -1.224 31.029 32.500 -0.412 0.000 0.736 984 K HN 0.013 nan 8.250 nan 0.000 0.453 985 A N 1.297 124.018 122.820 -0.165 0.000 1.855 985 A HA -0.149 4.173 4.320 0.004 0.000 0.215 985 A C 2.145 179.525 177.584 -0.341 0.000 1.191 985 A CA 1.893 53.877 52.037 -0.088 0.000 0.613 985 A CB -0.567 18.591 19.000 0.263 0.000 0.829 985 A HN 0.443 nan 8.150 nan 0.000 0.442 986 M N -2.005 117.158 119.600 -0.729 0.000 2.492 986 M HA 0.031 4.513 4.480 0.004 0.000 0.262 986 M C 1.733 177.728 176.300 -0.508 0.000 1.090 986 M CA 2.029 56.642 55.300 -1.145 0.000 1.110 986 M CB -0.629 30.988 32.600 -1.639 0.000 1.407 986 M HN 0.224 nan 8.290 nan 0.000 0.470 987 T N 0.338 114.691 114.554 -0.335 0.000 2.937 987 T HA 0.049 4.401 4.350 0.004 0.000 0.260 987 T C 1.546 176.157 174.700 -0.149 0.000 1.051 987 T CA 1.108 63.101 62.100 -0.179 0.000 1.141 987 T CB -0.111 68.710 68.868 -0.078 0.000 0.879 987 T HN 0.307 nan 8.240 nan 0.000 0.459 988 V N 1.663 121.433 119.914 -0.240 0.000 3.380 988 V HA 0.186 4.308 4.120 0.004 0.000 0.268 988 V C 2.617 178.639 176.094 -0.119 0.000 1.168 988 V CA 0.963 63.167 62.300 -0.161 0.000 1.156 988 V CB -0.984 30.709 31.823 -0.217 0.000 0.785 988 V HN 0.551 nan 8.190 nan 0.000 0.487 989 A N 1.107 123.827 122.820 -0.167 0.000 1.835 989 A HA -0.075 4.247 4.320 0.004 0.000 0.213 989 A C 2.357 179.882 177.584 -0.099 0.000 1.210 989 A CA 1.763 53.717 52.037 -0.138 0.000 0.605 989 A CB -0.744 18.129 19.000 -0.211 0.000 0.860 989 A HN 0.435 nan 8.150 nan 0.000 0.447 990 V N -1.253 118.593 119.914 -0.114 0.000 2.287 990 V HA -0.257 3.865 4.120 0.004 0.000 0.248 990 V C 2.279 178.356 176.094 -0.028 0.000 1.053 990 V CA 2.016 64.274 62.300 -0.069 0.000 1.027 990 V CB -1.249 30.529 31.823 -0.075 0.000 0.646 990 V HN 0.317 nan 8.190 nan 0.000 0.447 991 I N 0.239 120.802 120.570 -0.013 0.000 2.185 991 I HA -0.207 3.966 4.170 0.004 0.000 0.246 991 I C 2.166 178.293 176.117 0.016 0.000 1.088 991 I CA 1.644 62.960 61.300 0.026 0.000 1.347 991 I CB -0.520 37.522 38.000 0.071 0.000 1.041 991 I HN 0.248 nan 8.210 nan 0.000 0.415 992 I N -0.061 120.506 120.570 -0.006 0.000 3.564 992 I HA 0.026 4.198 4.170 0.004 0.000 0.294 992 I C 2.104 178.212 176.117 -0.016 0.000 1.289 992 I CA 0.743 62.037 61.300 -0.011 0.000 1.325 992 I CB -1.686 36.299 38.000 -0.025 0.000 1.039 992 I HN 0.161 nan 8.210 nan 0.000 0.474 993 A N 0.004 122.814 122.820 -0.017 0.000 2.197 993 A HA 0.414 4.736 4.320 0.004 0.000 0.210 993 A C 2.188 179.773 177.584 0.002 0.000 1.180 993 A CA 0.786 52.813 52.037 -0.016 0.000 0.846 993 A CB -0.282 18.699 19.000 -0.030 0.000 0.884 993 A HN 0.351 nan 8.150 nan 0.000 0.487 994 G N -0.469 108.338 108.800 0.012 0.000 2.608 994 G HA2 0.168 4.130 3.960 0.004 0.000 0.210 994 G HA3 0.168 4.130 3.960 0.004 0.000 0.210 994 G C 1.134 176.057 174.900 0.038 0.000 1.139 994 G CA 0.175 45.291 45.100 0.028 0.000 0.812 994 G HN 0.323 nan 8.290 nan 0.000 0.529 995 L N 1.132 122.377 121.223 0.036 0.000 2.711 995 L HA 0.217 4.560 4.340 0.004 0.000 0.242 995 L C 2.019 178.914 176.870 0.042 0.000 1.153 995 L CA -0.076 54.791 54.840 0.046 0.000 0.898 995 L CB 0.044 42.131 42.059 0.047 0.000 1.044 995 L HN 0.199 nan 8.230 nan 0.000 0.437 996 L N 0.148 121.392 121.223 0.035 0.000 2.519 996 L HA 0.219 4.562 4.340 0.004 0.000 0.194 996 L C -0.725 176.184 176.870 0.065 0.000 1.072 996 L CA 0.727 55.588 54.840 0.036 0.000 0.845 996 L CB -1.499 40.563 42.059 0.005 0.000 1.138 996 L HN 0.045 nan 8.230 nan 0.000 0.487 997 P HA -0.222 nan 4.420 nan 0.000 0.218 997 P C 1.759 179.118 177.300 0.099 0.000 1.150 997 P CA 2.018 65.161 63.100 0.071 0.000 0.841 997 P CB -0.225 31.509 31.700 0.056 0.000 0.784 998 I N -3.748 116.878 120.570 0.093 0.000 3.059 998 I HA -0.035 4.137 4.170 0.004 0.000 0.270 998 I C 1.779 177.970 176.117 0.124 0.000 1.238 998 I CA 1.084 62.443 61.300 0.099 0.000 1.478 998 I CB -0.614 37.437 38.000 0.086 0.000 1.097 998 I HN -0.166 nan 8.210 nan 0.000 0.455 999 L N -0.352 120.956 121.223 0.142 0.000 2.007 999 L HA -0.113 4.229 4.340 0.004 0.000 0.205 999 L C 2.203 179.204 176.870 0.218 0.000 1.073 999 L CA 1.202 56.145 54.840 0.172 0.000 0.744 999 L CB -0.695 41.451 42.059 0.145 0.000 0.898 999 L HN 0.563 nan 8.230 nan 0.000 0.435 1000 W N 1.090 122.420 121.300 0.050 0.000 3.204 1000 W HA 0.188 4.851 4.660 0.004 0.000 0.249 1000 W C 0.108 176.659 176.519 0.053 0.000 1.322 1000 W CA 0.907 58.283 57.345 0.053 0.000 1.593 1000 W CB -0.045 29.435 29.460 0.033 0.000 1.122 1000 W HN 0.118 nan 8.180 nan 0.000 0.710 1001 G N -0.379 108.489 108.800 0.114 0.000 2.356 1001 G HA2 0.350 4.312 3.960 0.004 0.000 0.294 1001 G HA3 0.350 4.312 3.960 0.004 0.000 0.294 1001 G C -1.230 173.704 174.900 0.057 0.000 1.423 1001 G CA -0.035 45.089 45.100 0.040 0.000 0.806 1001 G HN -0.051 nan 8.290 nan 0.000 0.527 1002 T N -1.366 113.208 114.554 0.033 0.000 4.124 1002 T HA 0.431 4.783 4.350 0.004 0.000 0.292 1002 T C 0.911 175.623 174.700 0.020 0.000 0.676 1002 T CA 0.839 62.960 62.100 0.035 0.000 0.903 1002 T CB -0.289 68.601 68.868 0.036 0.000 1.257 1002 T HN 1.871 nan 8.240 nan 0.000 0.466 1003 G N 2.065 110.879 108.800 0.023 0.000 2.990 1003 G HA2 0.442 4.404 3.960 0.004 0.000 0.206 1003 G HA3 0.442 4.404 3.960 0.004 0.000 0.206 1003 G C 0.786 175.693 174.900 0.012 0.000 1.169 1003 G CA 0.253 45.362 45.100 0.016 0.000 0.819 1003 G HN 1.386 nan 8.290 nan 0.000 0.517 1004 A N -0.351 122.477 122.820 0.014 0.000 3.165 1004 A HA 0.623 4.946 4.320 0.004 0.000 0.212 1004 A C 0.775 178.366 177.584 0.012 0.000 0.935 1004 A CA 0.441 52.484 52.037 0.011 0.000 1.100 1004 A CB -0.357 18.651 19.000 0.014 0.000 1.260 1004 A HN 1.649 nan 8.150 nan 0.000 0.532 1005 G N -0.033 108.772 108.800 0.009 0.000 2.880 1005 G HA2 0.061 4.023 3.960 0.004 0.000 0.220 1005 G HA3 0.061 4.023 3.960 0.004 0.000 0.220 1005 G C 0.117 175.029 174.900 0.020 0.000 0.486 1005 G CA 0.397 45.504 45.100 0.010 0.000 0.914 1005 G HN 1.155 nan 8.290 nan 0.000 0.427 1006 S N 1.737 117.455 115.700 0.029 0.000 2.801 1006 S HA 0.255 4.727 4.470 0.004 0.000 0.236 1006 S C 1.061 175.699 174.600 0.064 0.000 0.852 1006 S CA -0.122 58.106 58.200 0.047 0.000 1.089 1006 S CB 0.468 63.701 63.200 0.056 0.000 1.376 1006 S HN 0.624 nan 8.310 nan 0.000 0.470 1007 E N 0.927 121.157 120.200 0.049 0.000 2.338 1007 E HA -0.036 4.317 4.350 0.004 0.000 0.197 1007 E C 1.954 178.611 176.600 0.096 0.000 1.007 1007 E CA 0.619 57.055 56.400 0.060 0.000 0.849 1007 E CB -0.122 29.588 29.700 0.017 0.000 0.774 1007 E HN 0.454 nan 8.360 nan 0.000 0.506 1008 V N -0.019 119.942 119.914 0.078 0.000 2.273 1008 V HA -0.178 3.944 4.120 0.004 0.000 0.242 1008 V C 1.677 177.838 176.094 0.112 0.000 1.035 1008 V CA 1.508 63.860 62.300 0.086 0.000 1.013 1008 V CB -0.158 31.687 31.823 0.036 0.000 0.652 1008 V HN 0.223 nan 8.190 nan 0.000 0.452 1009 M N 0.861 120.518 119.600 0.096 0.000 2.476 1009 M HA -0.028 4.454 4.480 0.004 0.000 0.262 1009 M C 2.352 178.728 176.300 0.128 0.000 1.079 1009 M CA 1.571 56.934 55.300 0.105 0.000 1.104 1009 M CB -0.376 32.273 32.600 0.082 0.000 1.409 1009 M HN 0.703 nan 8.290 nan 0.000 0.467 1010 S N 1.123 116.911 115.700 0.148 0.000 2.335 1010 S HA -0.079 4.393 4.470 0.004 0.000 0.217 1010 S C 1.938 176.683 174.600 0.242 0.000 1.032 1010 S CA 0.681 58.995 58.200 0.190 0.000 0.985 1010 S CB -0.385 62.952 63.200 0.228 0.000 0.896 1010 S HN 0.422 nan 8.310 nan 0.000 0.445 1011 R N 0.772 121.436 120.500 0.274 0.000 2.261 1011 R HA -0.033 4.309 4.340 0.004 0.000 0.236 1011 R C 2.210 178.623 176.300 0.188 0.000 1.141 1011 R CA 1.496 57.770 56.100 0.291 0.000 1.001 1011 R CB -0.672 29.757 30.300 0.215 0.000 0.866 1011 R HN 0.790 nan 8.270 nan 0.000 0.468 1012 I N -3.487 117.186 120.570 0.171 0.000 3.081 1012 I HA 0.210 4.382 4.170 0.004 0.000 0.274 1012 I C 1.934 178.136 176.117 0.142 0.000 1.178 1012 I CA 0.850 62.244 61.300 0.156 0.000 1.460 1012 I CB 0.048 38.157 38.000 0.181 0.000 1.137 1012 I HN -0.149 nan 8.210 nan 0.000 0.443 1013 A N 1.280 124.178 122.820 0.130 0.000 2.121 1013 A HA 0.217 4.539 4.320 0.004 0.000 0.218 1013 A C 2.427 180.058 177.584 0.078 0.000 1.154 1013 A CA 1.294 53.393 52.037 0.103 0.000 0.679 1013 A CB -1.018 18.037 19.000 0.092 0.000 0.795 1013 A HN 0.614 nan 8.150 nan 0.000 0.458 1014 A N 1.002 123.866 122.820 0.073 0.000 1.834 1014 A HA -0.073 4.249 4.320 0.004 0.000 0.216 1014 A C 0.055 177.654 177.584 0.026 0.000 1.203 1014 A CA 1.965 53.993 52.037 -0.015 0.000 0.621 1014 A CB -1.602 17.361 19.000 -0.062 0.000 0.841 1014 A HN 0.455 nan 8.150 nan 0.000 0.446 1015 P HA 0.063 nan 4.420 nan 0.000 0.240 1015 P C 1.538 178.970 177.300 0.220 0.000 1.190 1015 P CA 0.794 64.035 63.100 0.236 0.000 0.781 1015 P CB -0.059 31.938 31.700 0.494 0.000 0.931 1016 M N -0.767 118.938 119.600 0.174 0.000 2.117 1016 M HA -0.115 4.367 4.480 0.004 0.000 0.262 1016 M C 1.731 178.087 176.300 0.092 0.000 1.065 1016 M CA 1.923 57.301 55.300 0.130 0.000 1.114 1016 M CB -0.426 32.248 32.600 0.124 0.000 1.361 1016 M HN -0.183 nan 8.290 nan 0.000 0.408 1017 I N -0.434 120.180 120.570 0.073 0.000 2.193 1017 I HA -0.145 4.027 4.170 0.004 0.000 0.240 1017 I C 2.527 178.671 176.117 0.046 0.000 1.084 1017 I CA 1.290 62.617 61.300 0.045 0.000 1.365 1017 I CB -1.132 36.875 38.000 0.013 0.000 1.064 1017 I HN 0.454 nan 8.210 nan 0.000 0.410 1018 G N 0.704 109.540 108.800 0.059 0.000 2.469 1018 G HA2 -0.242 3.720 3.960 0.004 0.000 0.220 1018 G HA3 -0.242 3.720 3.960 0.004 0.000 0.220 1018 G C 1.683 176.644 174.900 0.101 0.000 1.136 1018 G CA 0.953 46.105 45.100 0.088 0.000 0.759 1018 G HN 0.515 nan 8.290 nan 0.000 0.562 1019 G N 0.213 109.069 108.800 0.094 0.000 2.422 1019 G HA2 -0.167 3.796 3.960 0.004 0.000 0.218 1019 G HA3 -0.167 3.796 3.960 0.004 0.000 0.218 1019 G C 1.766 176.710 174.900 0.072 0.000 1.146 1019 G CA 1.326 46.470 45.100 0.074 0.000 0.769 1019 G HN 0.301 nan 8.290 nan 0.000 0.547 1020 M N 0.213 119.852 119.600 0.065 0.000 2.077 1020 M HA 0.109 4.591 4.480 0.004 0.000 0.261 1020 M C 2.371 178.686 176.300 0.025 0.000 1.070 1020 M CA 0.408 55.739 55.300 0.051 0.000 1.125 1020 M CB -0.971 31.655 32.600 0.043 0.000 1.339 1020 M HN 0.306 nan 8.290 nan 0.000 0.409 1021 I N -0.273 120.311 120.570 0.023 0.000 2.179 1021 I HA -0.248 3.924 4.170 0.004 0.000 0.242 1021 I C 1.911 178.042 176.117 0.022 0.000 1.088 1021 I CA 1.949 63.254 61.300 0.009 0.000 1.357 1021 I CB -0.944 37.060 38.000 0.008 0.000 1.051 1021 I HN 0.281 nan 8.210 nan 0.000 0.409 1022 T N 1.157 115.746 114.554 0.059 0.000 2.777 1022 T HA -0.045 4.307 4.350 0.004 0.000 0.266 1022 T C 1.991 176.732 174.700 0.068 0.000 1.040 1022 T CA 1.441 63.596 62.100 0.092 0.000 1.141 1022 T CB -0.690 68.270 68.868 0.153 0.000 0.868 1022 T HN 0.543 nan 8.240 nan 0.000 0.444 1023 A N 1.980 124.836 122.820 0.060 0.000 1.877 1023 A HA 0.018 4.340 4.320 0.004 0.000 0.216 1023 A C 0.055 177.634 177.584 -0.008 0.000 1.186 1023 A CA 1.132 53.200 52.037 0.051 0.000 0.620 1023 A CB -1.440 17.610 19.000 0.083 0.000 0.822 1023 A HN 0.341 nan 8.150 nan 0.000 0.443 1024 P HA -0.075 nan 4.420 nan 0.000 0.218 1024 P C 1.766 178.932 177.300 -0.223 0.000 1.152 1024 P CA 0.653 63.670 63.100 -0.140 0.000 0.826 1024 P CB -0.129 31.467 31.700 -0.173 0.000 0.790 1025 L N -0.454 120.652 121.223 -0.195 0.000 2.127 1025 L HA -0.119 4.223 4.340 0.004 0.000 0.211 1025 L C 2.049 178.626 176.870 -0.487 0.000 1.089 1025 L CA 1.366 56.035 54.840 -0.285 0.000 0.757 1025 L CB -0.592 41.411 42.059 -0.094 0.000 0.899 1025 L HN -0.097 nan 8.230 nan 0.000 0.434 1026 L N -2.440 118.619 121.223 -0.274 0.000 2.492 1026 L HA 0.028 4.370 4.340 0.004 0.000 0.223 1026 L C 2.122 178.828 176.870 -0.274 0.000 1.132 1026 L CA 0.829 55.496 54.840 -0.287 0.000 0.850 1026 L CB -0.048 41.941 42.059 -0.117 0.000 0.966 1026 L HN 0.061 nan 8.230 nan 0.000 0.454 1027 S N 0.143 115.704 115.700 -0.232 0.000 2.423 1027 S HA -0.023 4.449 4.470 0.004 0.000 0.231 1027 S C 1.741 176.235 174.600 -0.176 0.000 1.014 1027 S CA 1.427 59.548 58.200 -0.132 0.000 0.965 1027 S CB -0.338 62.824 63.200 -0.065 0.000 0.785 1027 S HN 0.537 nan 8.310 nan 0.000 0.495 1028 L N -0.788 120.172 121.223 -0.438 0.000 2.313 1028 L HA 0.120 4.462 4.340 0.004 0.000 0.214 1028 L C 1.342 178.238 176.870 0.043 0.000 1.119 1028 L CA 1.064 55.707 54.840 -0.329 0.000 0.809 1028 L CB -0.434 41.238 42.059 -0.645 0.000 0.933 1028 L HN 0.324 nan 8.230 nan 0.000 0.449 1029 F N -0.941 119.050 119.950 0.068 0.000 2.746 1029 F HA 0.209 4.738 4.527 0.003 0.000 0.313 1029 F C 2.051 177.876 175.800 0.041 0.000 1.095 1029 F CA -0.440 57.599 58.000 0.064 0.000 1.224 1029 F CB 0.098 39.112 39.000 0.023 0.000 1.060 1029 F HN -0.061 nan 8.300 nan 0.000 0.584 1030 I N -1.111 119.535 120.570 0.128 0.000 2.333 1030 I HA -0.107 4.065 4.170 0.004 0.000 0.246 1030 I C 2.060 178.248 176.117 0.118 0.000 1.106 1030 I CA 1.009 62.360 61.300 0.085 0.000 1.411 1030 I CB -0.465 37.549 38.000 0.023 0.000 1.082 1030 I HN -0.093 nan 8.210 nan 0.000 0.420 1031 I N 2.057 122.704 120.570 0.129 0.000 2.286 1031 I HA -0.092 4.080 4.170 0.004 0.000 0.248 1031 I C 0.012 176.298 176.117 0.282 0.000 1.115 1031 I CA 1.600 63.002 61.300 0.171 0.000 1.392 1031 I CB -2.903 35.200 38.000 0.171 0.000 1.065 1031 I HN 0.322 nan 8.210 nan 0.000 0.418 1032 P HA 0.026 nan 4.420 nan 0.000 0.219 1032 P C 1.297 178.736 177.300 0.232 0.000 1.154 1032 P CA 1.367 64.614 63.100 0.245 0.000 0.826 1032 P CB 0.322 32.161 31.700 0.231 0.000 0.795 1033 A N -0.304 122.643 122.820 0.212 0.000 2.169 1033 A HA 0.458 4.780 4.320 0.004 0.000 0.210 1033 A C 2.167 179.845 177.584 0.157 0.000 1.168 1033 A CA 0.874 53.017 52.037 0.176 0.000 0.813 1033 A CB -0.726 18.372 19.000 0.163 0.000 0.861 1033 A HN 0.179 nan 8.150 nan 0.000 0.481 1034 A N -2.139 120.769 122.820 0.148 0.000 2.169 1034 A HA 0.219 4.542 4.320 0.004 0.000 0.210 1034 A C 1.757 179.436 177.584 0.159 0.000 1.168 1034 A CA 0.378 52.486 52.037 0.119 0.000 0.813 1034 A CB -0.534 18.509 19.000 0.072 0.000 0.861 1034 A HN 0.581 nan 8.150 nan 0.000 0.481 1035 Y N 1.633 121.980 120.300 0.078 0.000 2.163 1035 Y HA -0.293 4.259 4.550 0.003 0.000 0.288 1035 Y C 2.541 178.480 175.900 0.065 0.000 1.136 1035 Y CA 1.643 59.785 58.100 0.070 0.000 1.147 1035 Y CB -0.011 38.490 38.460 0.069 0.000 0.987 1035 Y HN 0.461 nan 8.280 nan 0.000 0.509 1036 K N 0.163 120.719 120.400 0.259 0.000 2.015 1036 K HA -0.269 4.053 4.320 0.004 0.000 0.220 1036 K C 1.858 178.541 176.600 0.139 0.000 1.055 1036 K CA 1.931 58.307 56.287 0.148 0.000 0.951 1036 K CB -0.955 31.621 32.500 0.127 0.000 0.725 1036 K HN 0.237 nan 8.250 nan 0.000 0.449 1037 L N 0.414 121.720 121.223 0.139 0.000 1.910 1037 L HA -0.085 4.257 4.340 0.004 0.000 0.221 1037 L C 1.940 178.882 176.870 0.120 0.000 1.084 1037 L CA 1.433 56.340 54.840 0.113 0.000 0.779 1037 L CB -0.544 41.577 42.059 0.102 0.000 0.888 1037 L HN 0.400 nan 8.230 nan 0.000 0.432 1038 M N 0.000 119.678 119.600 0.130 0.000 2.572 1038 M HA 0.000 4.482 4.480 0.004 0.000 0.227 1038 M CA 0.000 55.375 55.300 0.126 0.000 0.988 1038 M CB 0.000 32.653 32.600 0.088 0.000 1.302 1038 M HN 0.000 nan 8.290 nan 0.000 0.411