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 3k07_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 HPDATLDNKT RWQVITDASV EVGPALFISL DATA SEQUENCE LIITLSFIPI FTLEGQEGRL FGPLAFTKTY AMAGAALLAI VVIPILMGYW DATA SEQUENCE XXXXXXXXXX XPLNRFLIRV 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 YKLMWL 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 0.000 176.067 176.117 -0.084 0.000 1.063 5 I CA 0.000 61.248 61.300 -0.087 0.000 1.566 5 I CB 0.000 37.921 38.000 -0.132 0.000 1.214 6 I N 2.095 122.610 120.570 -0.092 0.000 2.335 6 I HA -0.238 3.934 4.170 0.004 0.000 0.251 6 I C 2.288 178.373 176.117 -0.054 0.000 1.129 6 I CA 2.011 63.265 61.300 -0.077 0.000 1.402 6 I CB -0.259 37.697 38.000 -0.073 0.000 1.069 6 I HN 0.308 nan 8.210 nan 0.000 0.424 7 R N -0.004 120.470 120.500 -0.043 0.000 2.189 7 R HA -0.107 4.236 4.340 0.004 0.000 0.218 7 R C 2.237 178.522 176.300 -0.025 0.000 1.074 7 R CA 0.895 56.979 56.100 -0.028 0.000 0.991 7 R CB -0.119 30.170 30.300 -0.018 0.000 0.883 7 R HN 0.283 nan 8.270 nan 0.000 0.457 8 R N -0.147 120.335 120.500 -0.030 0.000 2.073 8 R HA -0.051 4.292 4.340 0.004 0.000 0.229 8 R C 2.362 178.646 176.300 -0.026 0.000 1.120 8 R CA 1.804 57.889 56.100 -0.024 0.000 0.967 8 R CB -0.184 30.101 30.300 -0.026 0.000 0.862 8 R HN 0.238 nan 8.270 nan 0.000 0.436 9 S N 0.364 116.042 115.700 -0.036 0.000 2.382 9 S HA -0.150 4.323 4.470 0.004 0.000 0.228 9 S C 2.151 176.726 174.600 -0.041 0.000 1.027 9 S CA 1.308 59.485 58.200 -0.040 0.000 0.991 9 S CB -0.876 62.294 63.200 -0.049 0.000 0.823 9 S HN 0.250 nan 8.310 nan 0.000 0.469 10 V N 0.227 120.115 119.914 -0.043 0.000 2.667 10 V HA 0.143 4.266 4.120 0.004 0.000 0.252 10 V C 2.588 178.665 176.094 -0.028 0.000 1.065 10 V CA 0.841 63.112 62.300 -0.048 0.000 1.083 10 V CB -1.811 29.979 31.823 -0.055 0.000 0.692 10 V HN 0.532 nan 8.190 nan 0.000 0.468 11 A N 3.071 125.881 122.820 -0.016 0.000 1.836 11 A HA -0.220 4.102 4.320 0.004 0.000 0.215 11 A C 1.562 179.151 177.584 0.009 0.000 1.214 11 A CA 1.960 53.997 52.037 -0.001 0.000 0.636 11 A CB -1.432 17.568 19.000 0.000 0.000 0.847 11 A HN 0.829 nan 8.150 nan 0.000 0.451 12 N N 0.835 119.541 118.700 0.010 0.000 2.892 12 N HA -0.007 4.735 4.740 0.004 0.000 0.300 12 N C 0.710 176.235 175.510 0.026 0.000 1.211 12 N CA 0.260 53.327 53.050 0.028 0.000 1.158 12 N CB 0.004 38.504 38.487 0.022 0.000 1.455 12 N HN 0.626 nan 8.380 nan 0.000 0.524 13 R N -0.263 120.262 120.500 0.041 0.000 2.236 13 R HA -0.040 4.302 4.340 0.004 0.000 0.208 13 R C 0.403 176.743 176.300 0.065 0.000 1.036 13 R CA 0.441 56.556 56.100 0.025 0.000 1.001 13 R CB -0.718 29.601 30.300 0.031 0.000 0.896 13 R HN 0.382 nan 8.270 nan 0.000 0.464 14 F N 1.319 121.225 119.950 -0.073 0.000 2.473 14 F HA 0.257 4.786 4.527 0.004 0.000 0.294 14 F C 1.959 177.695 175.800 -0.106 0.000 1.103 14 F CA 0.213 58.159 58.000 -0.090 0.000 1.442 14 F CB 0.101 39.069 39.000 -0.053 0.000 1.097 14 F HN -0.135 nan 8.300 nan 0.000 0.547 15 L N -0.184 121.033 121.223 -0.010 0.000 2.275 15 L HA -0.112 4.231 4.340 0.004 0.000 0.215 15 L C 2.404 179.184 176.870 -0.149 0.000 1.119 15 L CA 1.220 56.009 54.840 -0.084 0.000 0.790 15 L CB -0.918 41.134 42.059 -0.012 0.000 0.919 15 L HN 0.179 nan 8.230 nan 0.000 0.443 16 V N -2.584 117.245 119.914 -0.142 0.000 2.649 16 V HA -0.131 3.991 4.120 0.004 0.000 0.248 16 V C 2.277 178.232 176.094 -0.232 0.000 1.054 16 V CA 0.873 63.082 62.300 -0.152 0.000 1.073 16 V CB -0.305 31.448 31.823 -0.116 0.000 0.699 16 V HN 0.300 nan 8.190 nan 0.000 0.463 17 L N -0.152 120.883 121.223 -0.314 0.000 1.988 17 L HA 0.020 4.362 4.340 0.004 0.000 0.207 17 L C 2.478 179.035 176.870 -0.521 0.000 1.071 17 L CA 2.392 56.990 54.840 -0.403 0.000 0.744 17 L CB -0.821 40.961 42.059 -0.462 0.000 0.893 17 L HN 0.175 nan 8.230 nan 0.000 0.433 18 M N 0.160 119.335 119.600 -0.708 0.000 2.108 18 M HA -0.109 4.373 4.480 0.004 0.000 0.261 18 M C 2.295 178.026 176.300 -0.949 0.000 1.066 18 M CA 1.677 56.436 55.300 -0.902 0.000 1.107 18 M CB -2.256 29.867 32.600 -0.794 0.000 1.356 18 M HN 0.484 nan 8.290 nan 0.000 0.406 19 G N -0.376 108.133 108.800 -0.485 0.000 2.446 19 G HA2 -0.107 3.855 3.960 0.004 0.000 0.217 19 G HA3 -0.107 3.855 3.960 0.004 0.000 0.217 19 G C 1.650 176.442 174.900 -0.181 0.000 1.168 19 G CA 1.379 46.339 45.100 -0.233 0.000 0.771 19 G HN 0.561 nan 8.290 nan 0.000 0.551 20 A N 0.516 123.204 122.820 -0.219 0.000 1.898 20 A HA 0.128 4.450 4.320 0.004 0.000 0.216 20 A C 2.265 179.774 177.584 -0.125 0.000 1.181 20 A CA 1.290 53.245 52.037 -0.137 0.000 0.620 20 A CB -0.468 18.440 19.000 -0.152 0.000 0.819 20 A HN 0.356 nan 8.150 nan 0.000 0.442 21 L N -0.927 120.137 121.223 -0.266 0.000 2.349 21 L HA -0.107 4.235 4.340 0.004 0.000 0.220 21 L C 1.708 178.623 176.870 0.074 0.000 1.130 21 L CA 1.723 56.455 54.840 -0.180 0.000 0.791 21 L CB -0.749 41.115 42.059 -0.325 0.000 0.918 21 L HN 0.587 nan 8.230 nan 0.000 0.444 22 F N -1.941 118.017 119.950 0.013 0.000 2.437 22 F HA -0.064 4.465 4.527 0.004 0.000 0.288 22 F C 2.113 178.011 175.800 0.163 0.000 1.085 22 F CA -0.597 57.456 58.000 0.088 0.000 1.430 22 F CB 0.057 39.107 39.000 0.084 0.000 1.120 22 F HN -0.101 nan 8.300 nan 0.000 0.556 23 L N 0.682 122.071 121.223 0.276 0.000 2.349 23 L HA -0.179 4.163 4.340 0.004 0.000 0.220 23 L C 2.389 179.298 176.870 0.065 0.000 1.130 23 L CA 1.848 56.781 54.840 0.155 0.000 0.791 23 L CB -1.388 40.718 42.059 0.078 0.000 0.918 23 L HN 0.223 nan 8.230 nan 0.000 0.444 24 S N -1.713 114.043 115.700 0.093 0.000 2.502 24 S HA -0.008 4.465 4.470 0.004 0.000 0.228 24 S C 1.959 176.611 174.600 0.086 0.000 1.061 24 S CA 0.081 58.310 58.200 0.050 0.000 0.935 24 S CB -0.286 62.933 63.200 0.032 0.000 0.809 24 S HN 0.286 nan 8.310 nan 0.000 0.510 25 I N 1.329 121.995 120.570 0.160 0.000 2.163 25 I HA -0.029 4.143 4.170 0.004 0.000 0.240 25 I C 2.400 178.666 176.117 0.249 0.000 1.081 25 I CA 1.425 62.828 61.300 0.171 0.000 1.353 25 I CB -0.151 37.965 38.000 0.194 0.000 1.054 25 I HN 0.653 nan 8.210 nan 0.000 0.407 26 W N 1.484 122.836 121.300 0.087 0.000 2.358 26 W HA -0.135 4.527 4.660 0.004 0.000 0.303 26 W C 1.909 178.496 176.519 0.114 0.000 1.208 26 W CA 0.992 58.394 57.345 0.095 0.000 1.274 26 W CB -0.581 28.919 29.460 0.066 0.000 1.138 26 W HN 0.209 nan 8.180 nan 0.000 0.515 27 G N 0.399 109.099 108.800 -0.166 0.000 2.422 27 G HA2 -0.360 3.602 3.960 0.004 0.000 0.218 27 G HA3 -0.360 3.602 3.960 0.004 0.000 0.218 27 G C 1.439 176.245 174.900 -0.157 0.000 1.146 27 G CA 1.679 46.569 45.100 -0.351 0.000 0.769 27 G HN 0.374 nan 8.290 nan 0.000 0.547 28 T N -1.076 113.461 114.554 -0.027 0.000 2.788 28 T HA -0.170 4.183 4.350 0.004 0.000 0.268 28 T C 1.872 176.618 174.700 0.076 0.000 1.044 28 T CA 1.560 63.649 62.100 -0.020 0.000 1.139 28 T CB -0.377 68.503 68.868 0.020 0.000 0.867 28 T HN 0.534 nan 8.240 nan 0.000 0.454 29 W N 1.620 122.906 121.300 -0.023 0.000 2.358 29 W HA -0.167 4.495 4.660 0.004 0.000 0.303 29 W C 1.972 178.492 176.519 0.000 0.000 1.208 29 W CA 1.536 58.896 57.345 0.025 0.000 1.274 29 W CB -0.251 29.288 29.460 0.131 0.000 1.138 29 W HN 0.461 nan 8.180 nan 0.000 0.515 30 T N -2.087 112.424 114.554 -0.073 0.000 3.129 30 T HA -0.035 4.318 4.350 0.004 0.000 0.251 30 T C 1.634 176.241 174.700 -0.153 0.000 1.117 30 T CA 0.563 62.501 62.100 -0.270 0.000 1.034 30 T CB -0.196 68.424 68.868 -0.414 0.000 0.968 30 T HN 0.285 nan 8.240 nan 0.000 0.526 31 I N 1.441 121.900 120.570 -0.185 0.000 2.400 31 I HA 0.103 4.275 4.170 0.004 0.000 0.248 31 I C 2.175 178.153 176.117 -0.232 0.000 1.109 31 I CA 0.791 61.895 61.300 -0.326 0.000 1.425 31 I CB 0.078 37.650 38.000 -0.714 0.000 1.094 31 I HN 0.293 nan 8.210 nan 0.000 0.425 32 I N -1.630 118.809 120.570 -0.218 0.000 2.830 32 I HA -0.093 4.079 4.170 0.004 0.000 0.263 32 I C 1.329 177.315 176.117 -0.217 0.000 1.230 32 I CA 1.100 62.292 61.300 -0.180 0.000 1.480 32 I CB -0.712 37.215 38.000 -0.122 0.000 1.095 32 I HN 0.191 nan 8.210 nan 0.000 0.455 33 N N 0.664 119.184 118.700 -0.300 0.000 2.388 33 N HA 0.033 4.776 4.740 0.004 0.000 0.176 33 N C 0.433 175.876 175.510 -0.112 0.000 1.062 33 N CA 0.384 53.258 53.050 -0.293 0.000 0.895 33 N CB 0.088 38.275 38.487 -0.500 0.000 1.018 33 N HN 0.158 nan 8.380 nan 0.000 0.456 34 T N 3.222 117.769 114.554 -0.013 0.000 2.822 34 T HA 0.065 4.417 4.350 0.004 0.000 0.288 34 T C -2.403 172.319 174.700 0.037 0.000 0.991 34 T CA -0.613 61.525 62.100 0.064 0.000 1.176 34 T CB 0.508 69.508 68.868 0.220 0.000 0.951 34 T HN 0.045 nan 8.240 nan 0.000 0.526 35 P HA 0.174 nan 4.420 nan 0.000 0.268 35 P C -0.369 176.940 177.300 0.015 0.000 1.205 35 P CA -0.396 62.705 63.100 0.002 0.000 0.771 35 P CB 0.500 32.195 31.700 -0.010 0.000 0.858 36 V N 2.321 122.246 119.914 0.019 0.000 2.997 36 V HA 0.581 4.703 4.120 0.004 0.000 0.311 36 V C -0.267 175.841 176.094 0.023 0.000 1.066 36 V CA 0.245 62.562 62.300 0.028 0.000 1.039 36 V CB 1.550 33.392 31.823 0.031 0.000 1.081 36 V HN 0.640 nan 8.190 nan 0.000 0.467 37 D N 1.196 121.613 120.400 0.027 0.000 2.807 37 D HA 0.525 5.168 4.640 0.004 0.000 0.279 37 D C 0.131 176.447 176.300 0.028 0.000 1.247 37 D CA 0.166 54.181 54.000 0.026 0.000 0.749 37 D CB 1.425 42.236 40.800 0.019 0.000 1.264 37 D HN 0.642 nan 8.370 nan 0.000 0.421 38 A N 0.053 122.890 122.820 0.028 0.000 1.887 38 A HA 0.479 4.801 4.320 0.004 0.000 0.212 38 A C 0.434 178.024 177.584 0.011 0.000 1.198 38 A CA 0.907 52.959 52.037 0.025 0.000 0.628 38 A CB 0.002 19.023 19.000 0.034 0.000 0.847 38 A HN 0.367 nan 8.150 nan 0.000 0.449 39 L N -0.436 120.791 121.223 0.006 0.000 2.424 39 L HA 0.403 4.745 4.340 0.004 0.000 0.258 39 L C -2.708 174.158 176.870 -0.007 0.000 0.995 39 L CA -2.321 52.511 54.840 -0.013 0.000 0.821 39 L CB 2.381 44.426 42.059 -0.023 0.000 1.383 39 L HN -0.035 nan 8.230 nan 0.000 0.410 40 P HA -0.024 nan 4.420 nan 0.000 0.269 40 P C -0.994 176.308 177.300 0.004 0.000 1.209 40 P CA -0.112 62.990 63.100 0.004 0.000 0.776 40 P CB 0.599 32.305 31.700 0.009 0.000 0.876 41 D N 1.822 122.230 120.400 0.014 0.000 2.493 41 D HA -0.016 4.626 4.640 0.004 0.000 0.240 41 D C 0.600 176.909 176.300 0.014 0.000 1.142 41 D CA 0.219 54.229 54.000 0.015 0.000 0.872 41 D CB 0.492 41.304 40.800 0.019 0.000 1.173 41 D HN 0.136 nan 8.370 nan 0.000 0.467 42 L N 2.445 123.674 121.223 0.011 0.000 2.664 42 L HA 0.094 4.436 4.340 0.004 0.000 0.233 42 L C 1.057 177.941 176.870 0.022 0.000 1.113 42 L CA -0.080 54.767 54.840 0.012 0.000 0.896 42 L CB -0.097 41.962 42.059 0.001 0.000 1.163 42 L HN 0.256 nan 8.230 nan 0.000 0.497 43 S N -1.394 114.319 115.700 0.022 0.000 2.614 43 S HA 0.375 4.847 4.470 0.004 0.000 0.265 43 S C -0.322 174.297 174.600 0.031 0.000 1.303 43 S CA -0.892 57.322 58.200 0.023 0.000 1.000 43 S CB 0.988 64.201 63.200 0.021 0.000 0.935 43 S HN 0.015 nan 8.310 nan 0.000 0.551 44 D N 0.004 120.427 120.400 0.038 0.000 2.388 44 D HA 0.382 5.024 4.640 0.004 0.000 0.254 44 D C -0.519 175.822 176.300 0.068 0.000 1.111 44 D CA -0.631 53.403 54.000 0.057 0.000 0.993 44 D CB 0.604 41.443 40.800 0.065 0.000 1.118 44 D HN 0.300 nan 8.370 nan 0.000 0.502 45 V N 1.561 121.531 119.914 0.094 0.000 2.370 45 V HA 0.139 4.261 4.120 0.004 0.000 0.257 45 V C 0.113 176.339 176.094 0.220 0.000 1.064 45 V CA 0.070 62.423 62.300 0.089 0.000 0.975 45 V CB -0.396 31.439 31.823 0.021 0.000 1.067 45 V HN 0.425 nan 8.190 nan 0.000 0.485 46 Q N 4.589 124.491 119.800 0.169 0.000 2.377 46 Q HA 0.817 5.159 4.340 0.004 0.000 0.271 46 Q C -1.756 174.359 176.000 0.192 0.000 1.077 46 Q CA -0.810 55.128 55.803 0.225 0.000 0.820 46 Q CB 2.586 31.428 28.738 0.172 0.000 1.347 46 Q HN 0.338 nan 8.270 nan 0.000 0.444 47 V N 4.189 124.243 119.914 0.233 0.000 2.531 47 V HA 0.450 4.573 4.120 0.004 0.000 0.301 47 V C -0.513 175.628 176.094 0.078 0.000 1.034 47 V CA -0.639 61.752 62.300 0.152 0.000 0.865 47 V CB 1.693 33.635 31.823 0.198 0.000 0.995 47 V HN 0.792 nan 8.190 nan 0.000 0.424 48 I N 5.571 126.149 120.570 0.013 0.000 2.385 48 I HA 0.460 4.632 4.170 0.004 0.000 0.294 48 I C -0.650 175.386 176.117 -0.134 0.000 0.988 48 I CA -0.566 60.656 61.300 -0.129 0.000 1.265 48 I CB 1.555 39.472 38.000 -0.138 0.000 1.388 48 I HN 0.351 nan 8.210 nan 0.000 0.480 49 I N 6.007 126.451 120.570 -0.209 0.000 2.359 49 I HA 0.358 4.530 4.170 0.004 0.000 0.284 49 I C -0.126 175.841 176.117 -0.249 0.000 1.018 49 I CA -0.566 60.628 61.300 -0.176 0.000 1.173 49 I CB 0.852 38.764 38.000 -0.147 0.000 1.326 49 I HN 0.602 nan 8.210 nan 0.000 0.462 50 K N 4.985 125.248 120.400 -0.229 0.000 2.156 50 K HA 0.679 5.001 4.320 0.004 0.000 0.271 50 K C -0.882 175.559 176.600 -0.266 0.000 0.995 50 K CA -0.155 55.923 56.287 -0.348 0.000 0.890 50 K CB 1.295 33.608 32.500 -0.313 0.000 1.073 50 K HN 0.662 nan 8.250 nan 0.000 0.454 51 T N 1.562 115.932 114.554 -0.306 0.000 3.071 51 T HA 0.158 4.511 4.350 0.004 0.000 0.311 51 T C -1.060 173.554 174.700 -0.143 0.000 1.042 51 T CA -0.936 61.054 62.100 -0.183 0.000 1.028 51 T CB 1.378 70.151 68.868 -0.158 0.000 1.068 51 T HN 0.585 nan 8.240 nan 0.000 0.451 52 S N 2.436 118.103 115.700 -0.054 0.000 2.442 52 S HA 0.523 4.995 4.470 0.004 0.000 0.297 52 S C -0.871 173.812 174.600 0.138 0.000 1.131 52 S CA -0.734 57.487 58.200 0.035 0.000 1.092 52 S CB 0.759 63.993 63.200 0.057 0.000 0.998 52 S HN 0.662 nan 8.310 nan 0.000 0.478 53 Y N 3.768 124.069 120.300 0.001 0.000 2.726 53 Y HA 0.425 4.978 4.550 0.004 0.000 0.367 53 Y C -2.792 173.128 175.900 0.033 0.000 1.038 53 Y CA -3.032 55.073 58.100 0.008 0.000 1.174 53 Y CB -0.271 38.188 38.460 -0.002 0.000 1.265 53 Y HN 0.522 nan 8.280 nan 0.000 0.622 54 P HA -0.048 nan 4.420 nan 0.000 0.258 54 P C 0.521 177.771 177.300 -0.083 0.000 1.136 54 P CA 1.973 65.086 63.100 0.022 0.000 0.761 54 P CB 0.272 31.985 31.700 0.022 0.000 0.724 55 G N 2.703 111.480 108.800 -0.039 0.000 2.325 55 G HA2 -0.205 3.758 3.960 0.004 0.000 0.274 55 G HA3 -0.205 3.758 3.960 0.004 0.000 0.274 55 G C -0.548 174.249 174.900 -0.172 0.000 0.921 55 G CA -0.307 44.744 45.100 -0.081 0.000 1.340 55 G HN 0.536 nan 8.290 nan 0.000 0.447 56 Q N -0.747 118.964 119.800 -0.147 0.000 2.281 56 Q HA 0.623 4.965 4.340 0.004 0.000 0.263 56 Q C 0.308 176.264 176.000 -0.074 0.000 0.989 56 Q CA -0.121 55.552 55.803 -0.216 0.000 0.852 56 Q CB 1.924 30.347 28.738 -0.526 0.000 1.337 56 Q HN 1.314 nan 8.270 nan 0.000 0.418 57 A N 3.770 126.533 122.820 -0.095 0.000 2.583 57 A HA 0.145 4.467 4.320 0.004 0.000 0.231 57 A C -1.350 176.253 177.584 0.031 0.000 1.065 57 A CA -0.263 51.731 52.037 -0.071 0.000 0.760 57 A CB -0.246 18.672 19.000 -0.136 0.000 1.001 57 A HN 0.449 nan 8.150 nan 0.000 0.509 58 P HA -0.166 nan 4.420 nan 0.000 0.215 58 P C 1.305 178.654 177.300 0.083 0.000 1.157 58 P CA 1.129 64.283 63.100 0.091 0.000 0.868 58 P CB 0.069 31.837 31.700 0.113 0.000 0.788 59 Q N -1.042 118.808 119.800 0.084 0.000 2.443 59 Q HA -0.082 4.261 4.340 0.004 0.000 0.213 59 Q C 1.957 177.989 176.000 0.054 0.000 0.982 59 Q CA 1.029 56.868 55.803 0.061 0.000 0.894 59 Q CB -0.555 28.223 28.738 0.067 0.000 0.947 59 Q HN 0.391 nan 8.270 nan 0.000 0.480 60 I N -1.624 118.989 120.570 0.071 0.000 2.685 60 I HA -0.144 4.028 4.170 0.004 0.000 0.251 60 I C 2.072 178.284 176.117 0.157 0.000 1.102 60 I CA 0.236 61.600 61.300 0.108 0.000 1.442 60 I CB -0.165 37.901 38.000 0.111 0.000 1.194 60 I HN -0.140 nan 8.210 nan 0.000 0.448 61 V N 1.271 121.291 119.914 0.177 0.000 2.317 61 V HA -0.328 3.794 4.120 0.004 0.000 0.251 61 V C 2.519 178.669 176.094 0.094 0.000 1.065 61 V CA 2.365 64.772 62.300 0.178 0.000 1.049 61 V CB -0.704 31.203 31.823 0.140 0.000 0.651 61 V HN 0.450 nan 8.190 nan 0.000 0.450 62 E N 1.011 121.263 120.200 0.086 0.000 2.017 62 E HA -0.200 4.153 4.350 0.004 0.000 0.193 62 E C 1.933 178.591 176.600 0.096 0.000 0.997 62 E CA 1.989 58.441 56.400 0.086 0.000 0.804 62 E CB -0.432 29.305 29.700 0.062 0.000 0.757 62 E HN 0.633 nan 8.360 nan 0.000 0.448 63 N N -0.148 118.583 118.700 0.051 0.000 2.104 63 N HA -0.146 4.597 4.740 0.004 0.000 0.190 63 N C 1.609 177.161 175.510 0.070 0.000 1.024 63 N CA 1.511 54.581 53.050 0.032 0.000 0.853 63 N CB -0.106 38.387 38.487 0.009 0.000 1.008 63 N HN 0.197 nan 8.380 nan 0.000 0.424 64 Q N -0.892 118.938 119.800 0.050 0.000 2.391 64 Q HA 0.225 4.567 4.340 0.004 0.000 0.211 64 Q C 1.330 177.272 176.000 -0.097 0.000 0.908 64 Q CA 0.405 56.196 55.803 -0.020 0.000 0.920 64 Q CB 0.810 29.526 28.738 -0.035 0.000 1.056 64 Q HN 0.254 nan 8.270 nan 0.000 0.523 65 V N -1.370 118.504 119.914 -0.067 0.000 3.278 65 V HA 0.002 4.124 4.120 0.004 0.000 0.215 65 V C 1.872 177.933 176.094 -0.056 0.000 1.287 65 V CA 0.978 63.213 62.300 -0.109 0.000 1.302 65 V CB -0.201 31.520 31.823 -0.169 0.000 1.228 65 V HN 0.073 nan 8.190 nan 0.000 0.523 66 T N -0.007 114.538 114.554 -0.014 0.000 2.746 66 T HA -0.200 4.152 4.350 0.004 0.000 0.267 66 T C 1.667 176.382 174.700 0.025 0.000 1.039 66 T CA 2.518 64.612 62.100 -0.011 0.000 1.142 66 T CB -0.225 68.655 68.868 0.020 0.000 0.866 66 T HN 0.520 nan 8.240 nan 0.000 0.444 67 Y N 2.841 123.116 120.300 -0.043 0.000 2.206 67 Y HA 0.049 4.602 4.550 0.004 0.000 0.292 67 Y C -0.918 174.955 175.900 -0.044 0.000 1.123 67 Y CA 0.408 58.487 58.100 -0.035 0.000 1.142 67 Y CB -0.818 37.629 38.460 -0.021 0.000 1.006 67 Y HN 0.143 nan 8.280 nan 0.000 0.518 68 P HA -0.170 nan 4.420 nan 0.000 0.221 68 P C 1.475 178.670 177.300 -0.175 0.000 1.145 68 P CA 1.227 64.257 63.100 -0.116 0.000 0.795 68 P CB 0.109 31.794 31.700 -0.025 0.000 0.775 69 L N 0.071 121.202 121.223 -0.153 0.000 2.168 69 L HA 0.005 4.348 4.340 0.004 0.000 0.203 69 L C 2.457 179.220 176.870 -0.178 0.000 1.078 69 L CA 2.060 56.813 54.840 -0.145 0.000 0.780 69 L CB -1.628 40.357 42.059 -0.122 0.000 0.939 69 L HN -0.008 nan 8.230 nan 0.000 0.451 70 T N -3.686 110.752 114.554 -0.194 0.000 2.746 70 T HA -0.195 4.157 4.350 0.004 0.000 0.267 70 T C 1.810 176.361 174.700 -0.248 0.000 1.039 70 T CA 1.723 63.711 62.100 -0.186 0.000 1.142 70 T CB -1.246 67.549 68.868 -0.122 0.000 0.866 70 T HN 0.477 nan 8.240 nan 0.000 0.444 71 T N -0.411 113.908 114.554 -0.392 0.000 2.867 71 T HA -0.070 4.282 4.350 0.004 0.000 0.268 71 T C 2.062 176.609 174.700 -0.255 0.000 1.057 71 T CA 1.664 63.539 62.100 -0.376 0.000 1.136 71 T CB -1.080 67.438 68.868 -0.583 0.000 0.874 71 T HN 0.433 nan 8.240 nan 0.000 0.466 72 T N -0.490 113.925 114.554 -0.232 0.000 3.129 72 T HA 0.294 4.646 4.350 0.004 0.000 0.251 72 T C 1.314 175.873 174.700 -0.235 0.000 1.117 72 T CA 0.208 62.200 62.100 -0.180 0.000 1.034 72 T CB -0.438 68.360 68.868 -0.116 0.000 0.968 72 T HN 0.249 nan 8.240 nan 0.000 0.526 73 M N -0.399 119.056 119.600 -0.241 0.000 2.449 73 M HA 0.511 4.994 4.480 0.004 0.000 0.262 73 M C 1.410 177.538 176.300 -0.286 0.000 1.152 73 M CA 0.468 55.607 55.300 -0.269 0.000 1.104 73 M CB 0.107 32.588 32.600 -0.198 0.000 1.416 73 M HN 0.167 nan 8.290 nan 0.000 0.519 74 L N -0.452 120.630 121.223 -0.234 0.000 2.275 74 L HA -0.074 4.269 4.340 0.004 0.000 0.215 74 L C 1.539 178.287 176.870 -0.202 0.000 1.119 74 L CA 1.185 55.905 54.840 -0.200 0.000 0.790 74 L CB -0.511 41.459 42.059 -0.148 0.000 0.919 74 L HN 0.368 nan 8.230 nan 0.000 0.443 75 S N -1.806 113.746 115.700 -0.247 0.000 2.614 75 S HA 0.183 4.655 4.470 0.004 0.000 0.230 75 S C 0.337 174.725 174.600 -0.354 0.000 0.952 75 S CA -0.562 57.502 58.200 -0.226 0.000 0.949 75 S CB -0.333 62.764 63.200 -0.173 0.000 0.786 75 S HN -0.019 nan 8.310 nan 0.000 0.478 76 V N 3.647 123.309 119.914 -0.420 0.000 2.498 76 V HA 0.330 4.453 4.120 0.004 0.000 0.279 76 V C -2.282 173.796 176.094 -0.026 0.000 1.048 76 V CA -2.027 60.035 62.300 -0.397 0.000 0.967 76 V CB 0.779 32.395 31.823 -0.345 0.000 0.988 76 V HN 0.228 nan 8.190 nan 0.000 0.473 77 P HA 0.110 nan 4.420 nan 0.000 0.258 77 P C 0.831 178.379 177.300 0.414 0.000 1.172 77 P CA 1.443 64.726 63.100 0.304 0.000 0.762 77 P CB 0.164 32.139 31.700 0.459 0.000 0.764 78 G N 2.349 111.312 108.800 0.273 0.000 2.136 78 G HA2 -0.119 3.844 3.960 0.004 0.000 0.242 78 G HA3 -0.119 3.844 3.960 0.004 0.000 0.242 78 G C 0.316 175.351 174.900 0.224 0.000 0.989 78 G CA -0.142 45.143 45.100 0.307 0.000 0.682 78 G HN 0.836 nan 8.290 nan 0.000 0.522 79 A N -0.231 122.553 122.820 -0.059 0.000 2.320 79 A HA 0.759 5.081 4.320 0.004 0.000 0.287 79 A C 1.057 178.530 177.584 -0.184 0.000 1.181 79 A CA 0.848 52.663 52.037 -0.371 0.000 0.831 79 A CB 0.892 19.629 19.000 -0.439 0.000 1.102 79 A HN 0.477 nan 8.150 nan 0.000 0.513 80 K N 1.421 121.718 120.400 -0.173 0.000 2.065 80 K HA 0.064 4.387 4.320 0.004 0.000 0.211 80 K C 0.704 177.249 176.600 -0.091 0.000 1.025 80 K CA 1.612 57.848 56.287 -0.085 0.000 0.948 80 K CB 0.025 32.501 32.500 -0.041 0.000 0.798 80 K HN 0.804 nan 8.250 nan 0.000 0.450 81 T N -1.808 112.692 114.554 -0.090 0.000 2.930 81 T HA 0.545 4.898 4.350 0.004 0.000 0.290 81 T C -0.731 173.924 174.700 -0.075 0.000 1.052 81 T CA -0.977 61.086 62.100 -0.062 0.000 1.017 81 T CB 2.086 70.942 68.868 -0.021 0.000 1.137 81 T HN -0.088 nan 8.240 nan 0.000 0.511 82 V N 1.877 121.765 119.914 -0.043 0.000 2.380 82 V HA 0.409 4.532 4.120 0.004 0.000 0.272 82 V C 0.114 176.230 176.094 0.036 0.000 1.011 82 V CA -0.775 61.504 62.300 -0.034 0.000 0.826 82 V CB 0.768 32.538 31.823 -0.089 0.000 1.040 82 V HN 0.800 nan 8.190 nan 0.000 0.441 83 R N 2.588 123.148 120.500 0.100 0.000 2.267 83 R HA 0.623 4.965 4.340 0.004 0.000 0.319 83 R C 0.436 176.846 176.300 0.183 0.000 1.067 83 R CA 0.048 56.250 56.100 0.170 0.000 0.936 83 R CB 1.387 31.802 30.300 0.191 0.000 1.006 83 R HN 0.785 nan 8.270 nan 0.000 0.452 84 G N 3.135 112.004 108.800 0.114 0.000 2.746 84 G HA2 0.579 4.542 3.960 0.004 0.000 0.297 84 G HA3 0.579 4.542 3.960 0.004 0.000 0.297 84 G C -1.389 173.527 174.900 0.026 0.000 1.426 84 G CA -0.649 44.429 45.100 -0.036 0.000 0.989 84 G HN 0.455 nan 8.290 nan 0.000 0.520 85 F N -0.103 119.920 119.950 0.122 0.000 2.591 85 F HA 0.806 5.335 4.527 0.004 0.000 0.309 85 F C -0.093 175.742 175.800 0.059 0.000 1.098 85 F CA -1.528 56.503 58.000 0.052 0.000 0.937 85 F CB 1.390 40.386 39.000 -0.007 0.000 1.250 85 F HN 0.378 nan 8.300 nan 0.000 0.447 86 S N 2.253 118.087 115.700 0.223 0.000 2.610 86 S HA 0.601 5.074 4.470 0.004 0.000 0.273 86 S C -0.409 174.261 174.600 0.117 0.000 1.274 86 S CA -0.756 57.520 58.200 0.126 0.000 1.023 86 S CB 1.665 64.918 63.200 0.088 0.000 0.962 86 S HN 0.756 nan 8.310 nan 0.000 0.523 87 Q N -0.339 119.466 119.800 0.008 0.000 3.353 87 Q HA 0.365 4.707 4.340 0.004 0.000 0.302 87 Q C 0.855 176.788 176.000 -0.112 0.000 0.991 87 Q CA -0.775 54.942 55.803 -0.143 0.000 0.827 87 Q CB -0.006 28.464 28.738 -0.447 0.000 1.694 87 Q HN 0.680 nan 8.270 nan 0.000 0.458 88 F N -0.687 119.330 119.950 0.112 0.000 2.202 88 F HA 0.148 4.677 4.527 0.004 0.000 0.301 88 F C 1.153 176.975 175.800 0.036 0.000 1.082 88 F CA 1.372 59.413 58.000 0.068 0.000 1.313 88 F CB -0.515 38.524 39.000 0.065 0.000 1.024 88 F HN 0.517 nan 8.300 nan 0.000 0.495 89 G N -0.978 108.068 108.800 0.410 0.000 4.657 89 G HA2 0.128 4.090 3.960 0.004 0.000 0.213 89 G HA3 0.128 4.090 3.960 0.004 0.000 0.213 89 G C -0.921 174.094 174.900 0.191 0.000 0.912 89 G CA -0.334 44.947 45.100 0.300 0.000 0.815 89 G HN 0.174 nan 8.290 nan 0.000 0.384 90 D N 0.219 120.602 120.400 -0.027 0.000 2.423 90 D HA 0.722 5.364 4.640 0.004 0.000 0.235 90 D C -0.635 175.572 176.300 -0.154 0.000 1.011 90 D CA -0.336 53.587 54.000 -0.129 0.000 0.963 90 D CB 2.010 42.667 40.800 -0.238 0.000 1.349 90 D HN -0.009 nan 8.370 nan 0.000 0.508 91 S N 0.875 116.410 115.700 -0.276 0.000 2.776 91 S HA 0.434 4.906 4.470 0.004 0.000 0.284 91 S C -1.821 172.516 174.600 -0.437 0.000 1.160 91 S CA -0.614 57.445 58.200 -0.235 0.000 1.051 91 S CB -0.099 63.008 63.200 -0.155 0.000 1.037 91 S HN 0.288 nan 8.310 nan 0.000 0.485 92 Y N 3.299 123.416 120.300 -0.306 0.000 2.331 92 Y HA 0.592 5.145 4.550 0.004 0.000 0.338 92 Y C -0.048 175.472 175.900 -0.632 0.000 0.976 92 Y CA -0.698 57.083 58.100 -0.532 0.000 1.137 92 Y CB 1.774 39.867 38.460 -0.611 0.000 1.172 92 Y HN 0.425 nan 8.280 nan 0.000 0.478 93 V N 4.861 124.491 119.914 -0.473 0.000 2.487 93 V HA 0.351 4.474 4.120 0.004 0.000 0.298 93 V C -1.175 174.659 176.094 -0.433 0.000 1.028 93 V CA -1.282 60.811 62.300 -0.344 0.000 0.860 93 V CB 1.079 32.774 31.823 -0.213 0.000 0.991 93 V HN 0.513 nan 8.190 nan 0.000 0.427 94 Y N 3.130 123.368 120.300 -0.104 0.000 2.335 94 Y HA 0.617 5.170 4.550 0.004 0.000 0.338 94 Y C 0.028 175.893 175.900 -0.059 0.000 0.977 94 Y CA -0.986 57.084 58.100 -0.051 0.000 1.114 94 Y CB 1.991 40.433 38.460 -0.030 0.000 1.182 94 Y HN 0.348 nan 8.280 nan 0.000 0.463 95 V N 5.885 125.840 119.914 0.069 0.000 2.293 95 V HA 0.301 4.424 4.120 0.004 0.000 0.275 95 V C -0.242 175.817 176.094 -0.058 0.000 1.021 95 V CA -0.689 61.569 62.300 -0.070 0.000 0.815 95 V CB 0.352 32.096 31.823 -0.131 0.000 1.025 95 V HN 0.537 nan 8.190 nan 0.000 0.448 96 I N 4.831 125.343 120.570 -0.097 0.000 2.396 96 I HA 0.462 4.634 4.170 0.004 0.000 0.292 96 I C -0.122 175.900 176.117 -0.157 0.000 0.999 96 I CA -0.216 61.077 61.300 -0.012 0.000 1.310 96 I CB 0.810 38.817 38.000 0.011 0.000 1.404 96 I HN 0.313 nan 8.210 nan 0.000 0.496 97 F N 3.263 123.234 119.950 0.035 0.000 2.470 97 F HA 0.326 4.855 4.527 0.004 0.000 0.329 97 F C 1.019 176.835 175.800 0.026 0.000 1.072 97 F CA -0.812 57.212 58.000 0.040 0.000 0.989 97 F CB 0.923 39.962 39.000 0.065 0.000 1.193 97 F HN 0.489 nan 8.300 nan 0.000 0.481 98 E N 0.147 120.467 120.200 0.199 0.000 2.408 98 E HA 0.091 4.443 4.350 0.004 0.000 0.259 98 E C -1.071 175.590 176.600 0.103 0.000 1.110 98 E CA -0.745 55.719 56.400 0.108 0.000 0.929 98 E CB 0.320 30.064 29.700 0.072 0.000 0.971 98 E HN 0.467 nan 8.360 nan 0.000 0.438 99 D N 0.886 121.324 120.400 0.064 0.000 2.629 99 D HA 0.138 4.780 4.640 0.004 0.000 0.228 99 D C 0.609 176.931 176.300 0.037 0.000 1.127 99 D CA 2.371 56.401 54.000 0.051 0.000 0.855 99 D CB 0.138 40.963 40.800 0.041 0.000 1.180 99 D HN 0.776 nan 8.370 nan 0.000 0.484 100 G N 2.143 110.960 108.800 0.029 0.000 2.367 100 G HA2 -0.174 3.788 3.960 0.004 0.000 0.295 100 G HA3 -0.174 3.788 3.960 0.004 0.000 0.295 100 G C 0.043 174.923 174.900 -0.033 0.000 1.019 100 G CA 0.368 45.469 45.100 0.003 0.000 1.224 100 G HN 0.672 nan 8.290 nan 0.000 0.510 101 T N -1.671 112.863 114.554 -0.034 0.000 2.863 101 T HA 0.563 4.915 4.350 0.004 0.000 0.285 101 T C -0.414 174.222 174.700 -0.106 0.000 1.009 101 T CA -0.899 61.138 62.100 -0.105 0.000 0.989 101 T CB 2.571 71.407 68.868 -0.053 0.000 1.004 101 T HN 0.115 nan 8.240 nan 0.000 0.455 102 D N 2.963 123.287 120.400 -0.127 0.000 2.412 102 D HA 0.141 4.784 4.640 0.004 0.000 0.257 102 D C -1.298 174.994 176.300 -0.012 0.000 1.217 102 D CA -1.665 52.329 54.000 -0.011 0.000 0.897 102 D CB 1.475 42.316 40.800 0.069 0.000 1.132 102 D HN 0.226 nan 8.370 nan 0.000 0.493 103 P HA -0.158 nan 4.420 nan 0.000 0.218 103 P C 0.579 177.674 177.300 -0.342 0.000 1.146 103 P CA 1.308 64.248 63.100 -0.267 0.000 0.820 103 P CB 0.075 31.554 31.700 -0.368 0.000 0.778 104 Y N -3.063 117.242 120.300 0.007 0.000 2.503 104 Y HA 0.024 4.576 4.550 0.004 0.000 0.277 104 Y C 2.449 178.378 175.900 0.048 0.000 1.102 104 Y CA -0.087 58.022 58.100 0.016 0.000 1.261 104 Y CB -0.731 37.743 38.460 0.023 0.000 1.096 104 Y HN 0.042 nan 8.280 nan 0.000 0.546 105 W N 1.700 123.009 121.300 0.016 0.000 2.381 105 W HA -0.182 4.481 4.660 0.004 0.000 0.301 105 W C 1.976 178.425 176.519 -0.116 0.000 1.205 105 W CA 1.776 59.102 57.345 -0.032 0.000 1.285 105 W CB -0.773 28.664 29.460 -0.037 0.000 1.133 105 W HN 0.039 nan 8.180 nan 0.000 0.521 106 A N 1.625 124.465 122.820 0.033 0.000 2.024 106 A HA -0.212 4.111 4.320 0.004 0.000 0.220 106 A C 2.162 179.595 177.584 -0.251 0.000 1.164 106 A CA 1.917 53.683 52.037 -0.451 0.000 0.643 106 A CB -0.637 17.622 19.000 -1.236 0.000 0.806 106 A HN 0.474 nan 8.150 nan 0.000 0.451 107 R N -1.303 119.110 120.500 -0.143 0.000 2.052 107 R HA 0.045 4.387 4.340 0.004 0.000 0.224 107 R C 2.367 178.634 176.300 -0.055 0.000 1.149 107 R CA 1.202 57.269 56.100 -0.056 0.000 0.962 107 R CB -0.662 29.623 30.300 -0.025 0.000 0.856 107 R HN 0.379 nan 8.270 nan 0.000 0.433 108 S N 0.646 116.301 115.700 -0.074 0.000 2.465 108 S HA -0.117 4.356 4.470 0.004 0.000 0.241 108 S C 1.775 176.252 174.600 -0.206 0.000 1.000 108 S CA 1.132 59.263 58.200 -0.115 0.000 0.964 108 S CB -0.157 62.978 63.200 -0.109 0.000 0.763 108 S HN 0.108 nan 8.310 nan 0.000 0.512 109 R N 0.956 121.287 120.500 -0.283 0.000 2.052 109 R HA 0.147 4.489 4.340 0.004 0.000 0.226 109 R C 1.953 178.275 176.300 0.037 0.000 1.145 109 R CA 1.124 57.066 56.100 -0.264 0.000 0.952 109 R CB -1.064 28.998 30.300 -0.396 0.000 0.847 109 R HN 0.234 nan 8.270 nan 0.000 0.431 110 V N 1.239 121.208 119.914 0.091 0.000 3.026 110 V HA -0.149 3.973 4.120 0.004 0.000 0.265 110 V C 1.878 178.022 176.094 0.084 0.000 1.121 110 V CA 1.096 63.485 62.300 0.148 0.000 1.142 110 V CB -0.360 31.558 31.823 0.160 0.000 0.730 110 V HN 0.206 nan 8.190 nan 0.000 0.503 111 L N -0.147 121.087 121.223 0.019 0.000 2.102 111 L HA -0.004 4.338 4.340 0.004 0.000 0.202 111 L C 2.319 179.169 176.870 -0.034 0.000 1.076 111 L CA 1.709 56.542 54.840 -0.011 0.000 0.761 111 L CB -0.517 41.522 42.059 -0.033 0.000 0.921 111 L HN 0.322 nan 8.230 nan 0.000 0.444 112 E N -1.267 118.882 120.200 -0.085 0.000 2.049 112 E HA -0.295 4.058 4.350 0.004 0.000 0.198 112 E C 2.151 178.649 176.600 -0.171 0.000 1.007 112 E CA 2.150 58.447 56.400 -0.172 0.000 0.809 112 E CB -0.426 29.093 29.700 -0.302 0.000 0.749 112 E HN 0.513 nan 8.360 nan 0.000 0.450 113 Y N 0.239 120.502 120.300 -0.063 0.000 2.224 113 Y HA -0.206 4.347 4.550 0.004 0.000 0.289 113 Y C 2.264 178.131 175.900 -0.054 0.000 1.146 113 Y CA 0.478 58.546 58.100 -0.054 0.000 1.182 113 Y CB -0.115 38.316 38.460 -0.049 0.000 0.983 113 Y HN 0.078 nan 8.280 nan 0.000 0.524 114 L N 0.810 122.091 121.223 0.096 0.000 2.127 114 L HA -0.261 4.082 4.340 0.004 0.000 0.211 114 L C 1.970 178.839 176.870 -0.002 0.000 1.089 114 L CA 1.905 56.762 54.840 0.028 0.000 0.757 114 L CB -1.235 40.829 42.059 0.008 0.000 0.899 114 L HN 0.337 nan 8.230 nan 0.000 0.434 115 N N -0.982 117.707 118.700 -0.018 0.000 2.120 115 N HA -0.235 4.507 4.740 0.004 0.000 0.188 115 N C 1.742 177.233 175.510 -0.032 0.000 1.024 115 N CA 1.320 54.348 53.050 -0.036 0.000 0.852 115 N CB -0.085 38.368 38.487 -0.056 0.000 1.003 115 N HN 0.489 nan 8.380 nan 0.000 0.424 116 Q N -0.718 119.065 119.800 -0.029 0.000 2.364 116 Q HA -0.051 4.292 4.340 0.004 0.000 0.209 116 Q C 1.337 177.333 176.000 -0.006 0.000 0.977 116 Q CA 0.832 56.624 55.803 -0.018 0.000 0.885 116 Q CB 0.303 29.040 28.738 -0.002 0.000 0.941 116 Q HN 0.316 nan 8.270 nan 0.000 0.464 117 V N -0.577 119.333 119.914 -0.006 0.000 3.621 117 V HA -0.072 4.050 4.120 0.004 0.000 0.263 117 V C 1.682 177.754 176.094 -0.035 0.000 1.272 117 V CA 0.495 62.783 62.300 -0.019 0.000 1.080 117 V CB 0.398 32.208 31.823 -0.022 0.000 0.816 117 V HN 0.147 nan 8.190 nan 0.000 0.451 118 Q N 1.149 120.929 119.800 -0.034 0.000 2.181 118 Q HA -0.109 4.233 4.340 0.004 0.000 0.205 118 Q C 2.162 178.138 176.000 -0.039 0.000 0.980 118 Q CA 2.021 57.799 55.803 -0.041 0.000 0.862 118 Q CB -0.678 28.039 28.738 -0.035 0.000 0.905 118 Q HN 0.591 nan 8.270 nan 0.000 0.429 119 G N 0.225 109.006 108.800 -0.032 0.000 2.433 119 G HA2 -0.260 3.702 3.960 0.004 0.000 0.216 119 G HA3 -0.260 3.702 3.960 0.004 0.000 0.216 119 G C 1.156 176.037 174.900 -0.031 0.000 1.186 119 G CA 0.867 45.950 45.100 -0.028 0.000 0.779 119 G HN 0.322 nan 8.290 nan 0.000 0.543 120 K N 0.242 120.623 120.400 -0.032 0.000 1.969 120 K HA -0.067 4.256 4.320 0.004 0.000 0.223 120 K C 1.280 177.850 176.600 -0.051 0.000 1.048 120 K CA 0.927 57.194 56.287 -0.034 0.000 0.983 120 K CB -1.046 31.435 32.500 -0.033 0.000 0.738 120 K HN 0.372 nan 8.250 nan 0.000 0.446 121 L N 0.726 121.906 121.223 -0.072 0.000 2.517 121 L HA 0.044 4.387 4.340 0.004 0.000 0.294 121 L C -2.337 174.456 176.870 -0.129 0.000 1.264 121 L CA -1.127 53.643 54.840 -0.117 0.000 0.839 121 L CB -1.183 40.790 42.059 -0.144 0.000 1.098 121 L HN 0.007 nan 8.230 nan 0.000 0.525 122 P HA -0.124 nan 4.420 nan 0.000 0.275 122 P C 0.401 177.656 177.300 -0.074 0.000 1.239 122 P CA 0.948 63.951 63.100 -0.162 0.000 0.820 122 P CB 0.128 31.579 31.700 -0.415 0.000 0.909 123 A N 1.324 124.143 122.820 -0.000 0.000 1.830 123 A HA -0.093 4.229 4.320 0.004 0.000 0.214 123 A C 2.296 179.889 177.584 0.014 0.000 1.218 123 A CA 2.274 54.320 52.037 0.015 0.000 0.628 123 A CB -1.887 17.137 19.000 0.040 0.000 0.860 123 A HN 0.623 nan 8.150 nan 0.000 0.454 124 G N -0.681 108.146 108.800 0.045 0.000 2.534 124 G HA2 0.228 4.191 3.960 0.004 0.000 0.217 124 G HA3 0.228 4.191 3.960 0.004 0.000 0.217 124 G C 0.797 175.715 174.900 0.030 0.000 1.128 124 G CA 0.799 45.923 45.100 0.040 0.000 0.784 124 G HN 1.042 nan 8.290 nan 0.000 0.542 125 V N 0.189 120.115 119.914 0.019 0.000 2.872 125 V HA 0.530 4.653 4.120 0.004 0.000 0.307 125 V C -0.015 176.057 176.094 -0.038 0.000 1.072 125 V CA -0.561 61.731 62.300 -0.014 0.000 1.148 125 V CB 1.015 32.773 31.823 -0.108 0.000 0.954 125 V HN 0.403 nan 8.190 nan 0.000 0.490 126 S N 2.254 117.933 115.700 -0.036 0.000 2.677 126 S HA 0.778 5.251 4.470 0.004 0.000 0.283 126 S C -0.370 174.196 174.600 -0.055 0.000 1.159 126 S CA -0.146 58.029 58.200 -0.041 0.000 1.001 126 S CB 1.174 64.361 63.200 -0.022 0.000 1.032 126 S HN 1.910 nan 8.310 nan 0.000 0.487 127 A N 2.523 125.303 122.820 -0.067 0.000 2.451 127 A HA 0.493 4.815 4.320 0.004 0.000 0.266 127 A C 0.408 177.954 177.584 -0.063 0.000 1.119 127 A CA -0.269 51.720 52.037 -0.080 0.000 0.786 127 A CB 0.025 18.975 19.000 -0.084 0.000 1.061 127 A HN 0.871 nan 8.150 nan 0.000 0.503 128 E N 3.276 123.434 120.200 -0.070 0.000 2.179 128 E HA 0.434 4.786 4.350 0.004 0.000 0.275 128 E C -1.148 175.421 176.600 -0.052 0.000 0.945 128 E CA -0.743 55.627 56.400 -0.050 0.000 0.792 128 E CB 1.007 30.682 29.700 -0.041 0.000 1.125 128 E HN 0.573 nan 8.360 nan 0.000 0.397 129 L N 3.644 124.848 121.223 -0.032 0.000 2.461 129 L HA 0.283 4.625 4.340 0.004 0.000 0.272 129 L C 0.790 177.650 176.870 -0.016 0.000 1.197 129 L CA 0.672 55.498 54.840 -0.023 0.000 0.836 129 L CB 0.953 43.007 42.059 -0.008 0.000 1.105 129 L HN 0.730 nan 8.230 nan 0.000 0.477 130 G N 3.609 112.401 108.800 -0.013 0.000 2.588 130 G HA2 0.433 4.395 3.960 0.004 0.000 0.278 130 G HA3 0.433 4.395 3.960 0.004 0.000 0.278 130 G C -2.461 172.450 174.900 0.019 0.000 1.307 130 G CA -0.747 44.357 45.100 0.007 0.000 1.016 130 G HN 0.590 nan 8.290 nan 0.000 0.503 131 P HA 0.188 nan 4.420 nan 0.000 0.279 131 P C -0.234 177.079 177.300 0.023 0.000 1.282 131 P CA -0.468 62.650 63.100 0.030 0.000 0.788 131 P CB 0.921 32.647 31.700 0.044 0.000 1.139 132 D N -1.283 119.128 120.400 0.018 0.000 2.413 132 D HA 0.326 4.969 4.640 0.004 0.000 0.237 132 D C 0.117 176.411 176.300 -0.010 0.000 1.171 132 D CA 0.021 54.020 54.000 -0.003 0.000 0.839 132 D CB -0.386 40.437 40.800 0.038 0.000 0.950 132 D HN 0.385 nan 8.370 nan 0.000 0.499 133 A N -1.227 121.606 122.820 0.020 0.000 2.583 133 A HA 0.760 5.082 4.320 0.004 0.000 0.299 133 A C 0.001 177.628 177.584 0.072 0.000 1.258 133 A CA -0.200 51.862 52.037 0.042 0.000 0.682 133 A CB 1.183 20.220 19.000 0.063 0.000 1.332 133 A HN 0.186 nan 8.150 nan 0.000 0.485 134 T N -4.499 110.111 114.554 0.093 0.000 2.618 134 T HA 0.566 4.918 4.350 0.004 0.000 0.286 134 T C 1.147 175.908 174.700 0.102 0.000 1.027 134 T CA 0.510 62.668 62.100 0.096 0.000 1.063 134 T CB 0.767 69.672 68.868 0.061 0.000 1.440 134 T HN 1.642 nan 8.240 nan 0.000 0.505 135 G N -0.147 108.653 108.800 -0.000 0.000 2.484 135 G HA2 0.037 4.000 3.960 0.004 0.000 0.218 135 G HA3 0.037 4.000 3.960 0.004 0.000 0.218 135 G C 1.271 176.104 174.900 -0.113 0.000 1.130 135 G CA 0.837 45.829 45.100 -0.180 0.000 0.784 135 G HN 0.633 nan 8.290 nan 0.000 0.543 136 V N 1.173 121.083 119.914 -0.008 0.000 2.809 136 V HA 0.037 4.159 4.120 0.004 0.000 0.256 136 V C 2.791 178.935 176.094 0.084 0.000 1.080 136 V CA 1.409 63.727 62.300 0.028 0.000 1.102 136 V CB -0.415 31.422 31.823 0.024 0.000 0.705 136 V HN 0.387 nan 8.190 nan 0.000 0.475 137 G N -1.692 107.189 108.800 0.134 0.000 2.848 137 G HA2 -0.141 3.821 3.960 0.004 0.000 0.208 137 G HA3 -0.141 3.821 3.960 0.004 0.000 0.208 137 G C 0.095 175.112 174.900 0.195 0.000 1.152 137 G CA -0.463 44.722 45.100 0.142 0.000 0.789 137 G HN 0.540 nan 8.290 nan 0.000 0.531 138 W N 1.458 122.697 121.300 -0.102 0.000 2.429 138 W HA 0.349 5.011 4.660 0.004 0.000 0.431 138 W C 0.885 177.189 176.519 -0.357 0.000 1.038 138 W CA -1.351 55.887 57.345 -0.179 0.000 1.635 138 W CB -0.167 29.212 29.460 -0.136 0.000 1.721 138 W HN -0.016 nan 8.180 nan 0.000 0.366 139 I N 1.229 121.697 120.570 -0.169 0.000 2.368 139 I HA -0.073 4.099 4.170 0.004 0.000 0.238 139 I C 0.412 176.310 176.117 -0.365 0.000 1.076 139 I CA 0.681 61.841 61.300 -0.234 0.000 1.397 139 I CB -1.204 36.756 38.000 -0.066 0.000 1.141 139 I HN 0.079 nan 8.210 nan 0.000 0.430 140 Y N 1.194 121.305 120.300 -0.315 0.000 2.468 140 Y HA 0.477 5.029 4.550 0.004 0.000 0.342 140 Y C -0.201 175.547 175.900 -0.254 0.000 1.021 140 Y CA -0.567 57.403 58.100 -0.217 0.000 1.079 140 Y CB 1.532 39.935 38.460 -0.096 0.000 1.226 140 Y HN 0.117 nan 8.280 nan 0.000 0.460 141 E N 3.392 123.434 120.200 -0.263 0.000 2.416 141 E HA 0.356 4.708 4.350 0.004 0.000 0.273 141 E C -2.056 174.449 176.600 -0.158 0.000 0.935 141 E CA -1.062 55.178 56.400 -0.268 0.000 0.784 141 E CB 2.991 32.478 29.700 -0.355 0.000 1.301 141 E HN 0.522 nan 8.360 nan 0.000 0.454 142 Y N -1.665 118.528 120.300 -0.179 0.000 2.558 142 Y HA 0.755 5.308 4.550 0.004 0.000 0.333 142 Y C -1.586 174.235 175.900 -0.132 0.000 1.125 142 Y CA -1.292 56.752 58.100 -0.093 0.000 1.039 142 Y CB 0.694 39.212 38.460 0.097 0.000 1.331 142 Y HN 0.540 nan 8.280 nan 0.000 0.456 143 A N 2.630 125.581 122.820 0.218 0.000 2.325 143 A HA 0.742 5.064 4.320 0.004 0.000 0.333 143 A C -1.562 176.222 177.584 0.334 0.000 1.155 143 A CA -0.760 51.472 52.037 0.325 0.000 0.814 143 A CB 1.280 20.540 19.000 0.433 0.000 1.206 143 A HN 0.802 nan 8.150 nan 0.000 0.482 144 L N 3.249 124.652 121.223 0.299 0.000 2.417 144 L HA 0.364 4.706 4.340 0.004 0.000 0.258 144 L C 0.168 177.131 176.870 0.154 0.000 1.088 144 L CA -0.114 54.855 54.840 0.214 0.000 0.975 144 L CB 0.549 42.738 42.059 0.217 0.000 1.341 144 L HN 0.630 nan 8.230 nan 0.000 0.431 145 V N -0.481 119.513 119.914 0.133 0.000 3.170 145 V HA 0.603 4.726 4.120 0.004 0.000 0.309 145 V C -0.272 175.876 176.094 0.089 0.000 1.071 145 V CA -0.613 61.752 62.300 0.108 0.000 1.063 145 V CB 1.743 33.627 31.823 0.102 0.000 1.123 145 V HN 0.666 nan 8.190 nan 0.000 0.464 146 D N 1.751 122.205 120.400 0.089 0.000 2.686 146 D HA 0.324 4.966 4.640 0.004 0.000 0.249 146 D C -0.623 175.726 176.300 0.081 0.000 1.260 146 D CA -0.694 53.365 54.000 0.099 0.000 0.910 146 D CB 1.858 42.739 40.800 0.136 0.000 1.323 146 D HN 0.733 nan 8.370 nan 0.000 0.561 147 R N 2.412 122.957 120.500 0.075 0.000 3.570 147 R HA 0.284 4.627 4.340 0.004 0.000 0.233 147 R C 0.144 176.474 176.300 0.049 0.000 1.492 147 R CA -0.368 55.765 56.100 0.055 0.000 1.504 147 R CB 0.078 30.406 30.300 0.047 0.000 1.314 147 R HN 0.493 nan 8.270 nan 0.000 0.687 148 S N -1.994 113.732 115.700 0.044 0.000 2.848 148 S HA 0.023 4.495 4.470 0.004 0.000 0.163 148 S C 1.192 175.800 174.600 0.013 0.000 0.810 148 S CA -0.128 58.087 58.200 0.025 0.000 1.607 148 S CB -0.032 63.182 63.200 0.023 0.000 1.189 148 S HN 0.603 nan 8.310 nan 0.000 0.610 149 G N 2.935 111.751 108.800 0.026 0.000 2.249 149 G HA2 -0.482 3.481 3.960 0.004 0.000 0.269 149 G HA3 -0.482 3.481 3.960 0.004 0.000 0.269 149 G C 0.840 175.740 174.900 0.001 0.000 0.979 149 G CA 1.408 46.519 45.100 0.018 0.000 0.644 149 G HN 0.771 nan 8.290 nan 0.000 0.546 150 K N -0.159 120.228 120.400 -0.023 0.000 2.097 150 K HA -0.105 4.217 4.320 0.004 0.000 0.206 150 K C 0.535 177.028 176.600 -0.177 0.000 1.049 150 K CA 0.870 57.086 56.287 -0.118 0.000 0.933 150 K CB -0.103 32.292 32.500 -0.176 0.000 0.717 150 K HN 0.515 nan 8.250 nan 0.000 0.442 151 H N 1.480 120.560 119.070 0.016 0.000 2.517 151 H HA 0.046 4.605 4.556 0.004 0.000 0.317 151 H C -0.839 174.503 175.328 0.023 0.000 1.080 151 H CA -0.692 55.368 56.048 0.020 0.000 1.301 151 H CB 1.199 30.979 29.762 0.029 0.000 1.425 151 H HN 0.233 nan 8.280 nan 0.000 0.471 152 D N 2.515 123.006 120.400 0.151 0.000 2.472 152 D HA -0.104 4.538 4.640 0.004 0.000 0.237 152 D C 1.142 177.502 176.300 0.100 0.000 1.141 152 D CA 0.002 54.056 54.000 0.090 0.000 0.875 152 D CB 0.929 41.764 40.800 0.059 0.000 1.192 152 D HN 0.509 nan 8.370 nan 0.000 0.450 153 L N 3.211 124.478 121.223 0.073 0.000 2.395 153 L HA 0.049 4.392 4.340 0.004 0.000 0.218 153 L C 1.749 178.667 176.870 0.080 0.000 1.130 153 L CA 1.138 56.023 54.840 0.075 0.000 0.826 153 L CB -0.004 42.089 42.059 0.057 0.000 0.941 153 L HN 0.502 nan 8.230 nan 0.000 0.451 154 A N -1.639 121.220 122.820 0.066 0.000 2.195 154 A HA -0.043 4.279 4.320 0.004 0.000 0.210 154 A C 1.814 179.453 177.584 0.092 0.000 1.165 154 A CA 0.671 52.751 52.037 0.071 0.000 0.806 154 A CB -0.195 18.820 19.000 0.024 0.000 0.847 154 A HN 0.402 nan 8.150 nan 0.000 0.482 155 D N -0.328 120.127 120.400 0.092 0.000 2.301 155 D HA 0.065 4.708 4.640 0.004 0.000 0.206 155 D C 1.857 178.234 176.300 0.128 0.000 0.979 155 D CA 0.467 54.533 54.000 0.111 0.000 0.874 155 D CB 0.185 41.061 40.800 0.126 0.000 0.968 155 D HN 0.404 nan 8.370 nan 0.000 0.510 156 L N 0.505 121.799 121.223 0.119 0.000 2.027 156 L HA -0.064 4.279 4.340 0.004 0.000 0.206 156 L C 2.755 179.712 176.870 0.145 0.000 1.074 156 L CA 0.799 55.705 54.840 0.110 0.000 0.745 156 L CB -0.278 41.845 42.059 0.107 0.000 0.898 156 L HN -0.067 nan 8.230 nan 0.000 0.433 157 R N -0.170 120.424 120.500 0.156 0.000 2.081 157 R HA -0.147 4.195 4.340 0.004 0.000 0.235 157 R C 2.351 178.785 176.300 0.224 0.000 1.131 157 R CA 1.741 57.939 56.100 0.164 0.000 0.960 157 R CB -0.150 30.239 30.300 0.149 0.000 0.856 157 R HN 0.242 nan 8.270 nan 0.000 0.436 158 S N 1.421 117.307 115.700 0.310 0.000 2.374 158 S HA -0.191 4.281 4.470 0.004 0.000 0.227 158 S C 1.773 176.621 174.600 0.412 0.000 1.037 158 S CA 1.450 59.945 58.200 0.491 0.000 1.024 158 S CB -0.363 63.098 63.200 0.434 0.000 0.861 158 S HN 0.344 nan 8.310 nan 0.000 0.456 159 L N 1.558 122.944 121.223 0.270 0.000 2.131 159 L HA -0.079 4.264 4.340 0.004 0.000 0.210 159 L C 2.242 179.292 176.870 0.300 0.000 1.092 159 L CA 1.834 56.821 54.840 0.245 0.000 0.759 159 L CB -0.709 41.428 42.059 0.130 0.000 0.903 159 L HN 0.321 nan 8.230 nan 0.000 0.435 160 Q N -1.012 118.928 119.800 0.234 0.000 2.033 160 Q HA -0.181 4.161 4.340 0.004 0.000 0.196 160 Q C 1.808 177.876 176.000 0.113 0.000 0.970 160 Q CA 1.567 57.485 55.803 0.191 0.000 0.828 160 Q CB -0.022 28.819 28.738 0.172 0.000 0.895 160 Q HN 0.474 nan 8.270 nan 0.000 0.440 161 D N -0.587 119.820 120.400 0.012 0.000 2.149 161 D HA -0.168 4.475 4.640 0.004 0.000 0.198 161 D C 0.780 176.945 176.300 -0.226 0.000 0.990 161 D CA 0.981 54.799 54.000 -0.304 0.000 0.839 161 D CB -0.015 40.325 40.800 -0.767 0.000 0.948 161 D HN 0.463 nan 8.370 nan 0.000 0.460 162 W N -1.196 120.275 121.300 0.286 0.000 3.132 162 W HA 0.263 4.925 4.660 0.004 0.000 0.364 162 W C 0.972 177.660 176.519 0.282 0.000 1.129 162 W CA -0.399 57.102 57.345 0.260 0.000 1.815 162 W CB -0.188 29.338 29.460 0.110 0.000 1.099 162 W HN -0.044 nan 8.180 nan 0.000 0.605 163 F N -0.944 119.180 119.950 0.289 0.000 1.832 163 F HA 0.167 4.696 4.527 0.004 0.000 0.236 163 F C 1.868 177.775 175.800 0.179 0.000 1.180 163 F CA 0.237 58.354 58.000 0.196 0.000 1.297 163 F CB -0.544 38.530 39.000 0.124 0.000 1.748 163 F HN -0.409 nan 8.300 nan 0.000 0.453 164 L N 1.497 122.678 121.223 -0.069 0.000 2.127 164 L HA -0.202 4.140 4.340 0.004 0.000 0.211 164 L C 2.315 179.099 176.870 -0.143 0.000 1.089 164 L CA 1.260 55.965 54.840 -0.224 0.000 0.757 164 L CB -0.609 41.452 42.059 0.003 0.000 0.899 164 L HN 0.234 nan 8.230 nan 0.000 0.434 165 K N -0.024 120.347 120.400 -0.048 0.000 2.009 165 K HA -0.194 4.128 4.320 0.004 0.000 0.210 165 K C 1.948 178.396 176.600 -0.253 0.000 1.049 165 K CA 1.787 57.963 56.287 -0.186 0.000 0.929 165 K CB -0.335 31.967 32.500 -0.330 0.000 0.714 165 K HN 0.290 nan 8.250 nan 0.000 0.440 166 Y N 1.085 121.307 120.300 -0.130 0.000 2.583 166 Y HA 0.001 4.553 4.550 0.004 0.000 0.293 166 Y C 2.014 177.824 175.900 -0.150 0.000 1.157 166 Y CA 0.370 58.409 58.100 -0.102 0.000 1.315 166 Y CB 0.130 38.569 38.460 -0.035 0.000 1.021 166 Y HN 0.081 nan 8.280 nan 0.000 0.536 167 E N -0.790 119.331 120.200 -0.132 0.000 2.216 167 E HA 0.003 4.355 4.350 0.004 0.000 0.192 167 E C 1.654 178.155 176.600 -0.164 0.000 0.973 167 E CA 0.502 56.778 56.400 -0.207 0.000 0.851 167 E CB 0.082 29.521 29.700 -0.435 0.000 0.804 167 E HN 0.360 nan 8.360 nan 0.000 0.477 168 L N 0.930 122.054 121.223 -0.165 0.000 2.298 168 L HA 0.090 4.433 4.340 0.004 0.000 0.209 168 L C 2.220 179.014 176.870 -0.127 0.000 1.084 168 L CA 1.016 55.772 54.840 -0.141 0.000 0.816 168 L CB -0.467 41.519 42.059 -0.121 0.000 0.967 168 L HN -0.035 nan 8.230 nan 0.000 0.460 169 K N -0.657 119.656 120.400 -0.144 0.000 2.063 169 K HA -0.190 4.132 4.320 0.004 0.000 0.208 169 K C 1.916 178.462 176.600 -0.089 0.000 1.048 169 K CA 1.886 58.090 56.287 -0.139 0.000 0.928 169 K CB -0.008 32.374 32.500 -0.196 0.000 0.713 169 K HN 0.255 nan 8.250 nan 0.000 0.442 170 T N 1.824 116.336 114.554 -0.070 0.000 2.624 170 T HA -0.184 4.168 4.350 0.004 0.000 0.268 170 T C 0.906 175.577 174.700 -0.050 0.000 1.041 170 T CA 1.319 63.392 62.100 -0.045 0.000 1.159 170 T CB -0.403 68.442 68.868 -0.038 0.000 0.863 170 T HN 0.200 nan 8.240 nan 0.000 0.434 171 I N 2.842 123.374 120.570 -0.064 0.000 3.163 171 I HA -0.144 4.029 4.170 0.004 0.000 0.332 171 I C -1.087 175.001 176.117 -0.049 0.000 1.205 171 I CA -0.805 60.458 61.300 -0.062 0.000 1.473 171 I CB -0.069 37.881 38.000 -0.083 0.000 1.300 171 I HN 0.161 nan 8.210 nan 0.000 0.532 172 P HA -0.264 nan 4.420 nan 0.000 0.222 172 P C 0.422 177.709 177.300 -0.023 0.000 0.821 172 P CA 1.616 64.700 63.100 -0.027 0.000 1.062 172 P CB 0.073 31.758 31.700 -0.026 0.000 0.720 173 D N -1.135 119.252 120.400 -0.021 0.000 2.722 173 D HA 0.148 4.790 4.640 0.004 0.000 0.239 173 D C -0.535 175.755 176.300 -0.017 0.000 1.249 173 D CA 0.027 54.021 54.000 -0.010 0.000 0.830 173 D CB -0.224 40.575 40.800 -0.002 0.000 1.025 173 D HN -0.068 nan 8.370 nan 0.000 0.486 174 V N 1.464 121.358 119.914 -0.033 0.000 2.385 174 V HA 0.253 4.375 4.120 0.004 0.000 0.269 174 V C 1.432 177.503 176.094 -0.039 0.000 1.043 174 V CA -0.307 61.965 62.300 -0.048 0.000 0.906 174 V CB 1.290 33.068 31.823 -0.074 0.000 0.995 174 V HN 0.179 nan 8.190 nan 0.000 0.467 175 A N 4.559 127.361 122.820 -0.030 0.000 2.067 175 A HA 0.158 4.480 4.320 0.004 0.000 0.217 175 A C 0.714 178.273 177.584 -0.042 0.000 1.156 175 A CA 1.111 53.138 52.037 -0.017 0.000 0.683 175 A CB -0.098 18.905 19.000 0.005 0.000 0.808 175 A HN 1.055 nan 8.150 nan 0.000 0.455 176 E N -2.235 117.920 120.200 -0.076 0.000 2.972 176 E HA 0.302 4.655 4.350 0.004 0.000 0.311 176 E C -1.632 174.871 176.600 -0.162 0.000 1.132 176 E CA -0.830 55.502 56.400 -0.114 0.000 0.912 176 E CB 0.151 29.795 29.700 -0.094 0.000 1.174 176 E HN -0.042 nan 8.360 nan 0.000 0.462 177 V N 1.273 121.075 119.914 -0.186 0.000 2.509 177 V HA 0.782 4.904 4.120 0.004 0.000 0.284 177 V C 0.140 176.091 176.094 -0.238 0.000 1.047 177 V CA 0.193 62.365 62.300 -0.213 0.000 0.952 177 V CB 1.130 32.852 31.823 -0.170 0.000 0.988 177 V HN 0.814 nan 8.190 nan 0.000 0.469 178 A N 3.330 125.977 122.820 -0.288 0.000 2.359 178 A HA 0.710 5.032 4.320 0.004 0.000 0.303 178 A C -0.006 177.428 177.584 -0.249 0.000 1.066 178 A CA -0.520 51.366 52.037 -0.253 0.000 0.730 178 A CB 1.201 20.056 19.000 -0.242 0.000 1.211 178 A HN 0.754 nan 8.150 nan 0.000 0.439 179 S N 0.383 115.978 115.700 -0.175 0.000 2.572 179 S HA 0.403 4.875 4.470 0.004 0.000 0.279 179 S C -0.083 174.477 174.600 -0.067 0.000 1.341 179 S CA -0.332 57.795 58.200 -0.121 0.000 1.043 179 S CB 1.325 64.467 63.200 -0.098 0.000 0.887 179 S HN 1.382 nan 8.310 nan 0.000 0.516 180 V N 2.620 122.525 119.914 -0.016 0.000 2.567 180 V HA 0.668 4.790 4.120 0.004 0.000 0.298 180 V C 0.342 176.509 176.094 0.122 0.000 1.047 180 V CA 0.926 63.269 62.300 0.073 0.000 0.880 180 V CB 0.503 32.394 31.823 0.112 0.000 1.009 180 V HN 1.356 nan 8.190 nan 0.000 0.429 181 G N 4.860 113.721 108.800 0.101 0.000 2.503 181 G HA2 0.372 4.335 3.960 0.004 0.000 0.235 181 G HA3 0.372 4.335 3.960 0.004 0.000 0.235 181 G C 1.173 176.123 174.900 0.082 0.000 1.179 181 G CA 0.344 45.495 45.100 0.085 0.000 0.944 181 G HN 2.673 nan 8.290 nan 0.000 0.580 182 G N -2.125 106.724 108.800 0.082 0.000 2.682 182 G HA2 0.229 4.191 3.960 0.004 0.000 0.256 182 G HA3 0.229 4.191 3.960 0.004 0.000 0.256 182 G C -0.006 174.945 174.900 0.084 0.000 1.333 182 G CA 0.794 45.947 45.100 0.089 0.000 0.904 182 G HN 2.042 nan 8.290 nan 0.000 0.569 183 V N -0.494 119.478 119.914 0.097 0.000 2.686 183 V HA 0.514 4.636 4.120 0.004 0.000 0.306 183 V C 0.440 176.617 176.094 0.138 0.000 1.065 183 V CA -0.638 61.718 62.300 0.095 0.000 0.894 183 V CB 1.906 33.767 31.823 0.062 0.000 1.004 183 V HN 0.947 nan 8.190 nan 0.000 0.424 184 V N 4.249 124.258 119.914 0.158 0.000 2.488 184 V HA 0.260 4.382 4.120 0.004 0.000 0.277 184 V C 0.507 176.708 176.094 0.179 0.000 1.046 184 V CA -0.549 61.901 62.300 0.251 0.000 0.986 184 V CB 1.096 33.078 31.823 0.266 0.000 0.989 184 V HN 0.836 nan 8.190 nan 0.000 0.475 185 K N 3.830 124.328 120.400 0.164 0.000 2.436 185 K HA 0.162 4.484 4.320 0.004 0.000 0.275 185 K C -0.033 176.565 176.600 -0.004 0.000 0.999 185 K CA 0.201 56.418 56.287 -0.116 0.000 0.980 185 K CB 0.403 32.539 32.500 -0.606 0.000 0.919 185 K HN 0.868 nan 8.250 nan 0.000 0.484 186 E N 4.126 124.247 120.200 -0.131 0.000 2.294 186 E HA 0.094 4.447 4.350 0.004 0.000 0.272 186 E C -1.534 174.969 176.600 -0.161 0.000 0.896 186 E CA -0.648 55.740 56.400 -0.019 0.000 0.802 186 E CB 0.630 30.361 29.700 0.051 0.000 1.267 186 E HN 0.515 nan 8.360 nan 0.000 0.406 187 Y N 3.907 124.166 120.300 -0.068 0.000 2.620 187 Y HA 0.040 4.592 4.550 0.004 0.000 0.352 187 Y C 0.445 176.287 175.900 -0.096 0.000 1.140 187 Y CA -0.098 57.876 58.100 -0.209 0.000 1.529 187 Y CB 0.271 38.478 38.460 -0.423 0.000 1.321 187 Y HN 0.316 nan 8.280 nan 0.000 0.501 188 Q N 1.133 120.935 119.800 0.002 0.000 2.390 188 Q HA 0.455 4.797 4.340 0.004 0.000 0.249 188 Q C -1.005 175.024 176.000 0.049 0.000 0.996 188 Q CA -0.748 55.082 55.803 0.044 0.000 0.899 188 Q CB 1.395 30.148 28.738 0.025 0.000 1.216 188 Q HN 0.317 nan 8.270 nan 0.000 0.465 189 V N 4.015 123.986 119.914 0.095 0.000 2.405 189 V HA 0.071 4.193 4.120 0.004 0.000 0.264 189 V C -0.051 176.101 176.094 0.096 0.000 1.048 189 V CA -0.574 61.789 62.300 0.104 0.000 0.966 189 V CB 1.225 33.138 31.823 0.149 0.000 1.015 189 V HN 0.700 nan 8.190 nan 0.000 0.477 190 V N 7.936 127.899 119.914 0.083 0.000 2.320 190 V HA 0.367 4.489 4.120 0.004 0.000 0.265 190 V C 0.288 176.432 176.094 0.084 0.000 1.048 190 V CA -0.444 61.913 62.300 0.095 0.000 0.865 190 V CB 0.529 32.404 31.823 0.086 0.000 1.043 190 V HN 0.640 nan 8.190 nan 0.000 0.474 191 I N 5.225 125.858 120.570 0.106 0.000 2.648 191 I HA 0.177 4.350 4.170 0.004 0.000 0.284 191 I C 0.252 176.332 176.117 -0.062 0.000 1.153 191 I CA 0.465 61.800 61.300 0.058 0.000 1.426 191 I CB 0.922 39.010 38.000 0.146 0.000 1.381 191 I HN 0.648 nan 8.210 nan 0.000 0.571 192 D N 8.571 128.923 120.400 -0.079 0.000 2.414 192 D HA 0.327 4.969 4.640 0.004 0.000 0.232 192 D C -1.899 174.292 176.300 -0.182 0.000 1.070 192 D CA -2.233 51.695 54.000 -0.120 0.000 0.839 192 D CB 1.942 42.729 40.800 -0.022 0.000 1.079 192 D HN 0.107 nan 8.370 nan 0.000 0.521 193 P HA -0.149 nan 4.420 nan 0.000 0.216 193 P C 1.030 178.237 177.300 -0.154 0.000 1.150 193 P CA 1.285 64.165 63.100 -0.366 0.000 0.837 193 P CB 0.253 31.510 31.700 -0.738 0.000 0.786 194 Q N -0.939 118.812 119.800 -0.081 0.000 2.226 194 Q HA -0.122 4.221 4.340 0.004 0.000 0.204 194 Q C 1.993 178.028 176.000 0.058 0.000 0.975 194 Q CA 0.950 56.760 55.803 0.012 0.000 0.866 194 Q CB -0.320 28.452 28.738 0.057 0.000 0.915 194 Q HN 0.210 nan 8.270 nan 0.000 0.440 195 R N 0.090 120.619 120.500 0.049 0.000 2.276 195 R HA 0.118 4.460 4.340 0.004 0.000 0.196 195 R C 1.882 178.250 176.300 0.114 0.000 0.961 195 R CA 0.437 56.603 56.100 0.111 0.000 1.024 195 R CB 0.128 30.432 30.300 0.007 0.000 0.940 195 R HN 0.329 nan 8.270 nan 0.000 0.480 196 L N -0.574 120.678 121.223 0.049 0.000 2.202 196 L HA 0.106 4.448 4.340 0.004 0.000 0.205 196 L C 2.257 179.186 176.870 0.097 0.000 1.083 196 L CA 0.815 55.691 54.840 0.060 0.000 0.790 196 L CB -0.383 41.696 42.059 0.033 0.000 0.942 196 L HN 0.060 nan 8.230 nan 0.000 0.452 197 A N -0.480 122.380 122.820 0.067 0.000 1.930 197 A HA -0.215 4.108 4.320 0.004 0.000 0.215 197 A C 2.162 179.788 177.584 0.070 0.000 1.176 197 A CA 1.069 53.138 52.037 0.053 0.000 0.632 197 A CB -0.362 18.647 19.000 0.015 0.000 0.819 197 A HN 0.397 nan 8.150 nan 0.000 0.445 198 Q N -1.590 118.278 119.800 0.112 0.000 2.181 198 Q HA -0.191 4.151 4.340 0.004 0.000 0.205 198 Q C 0.891 176.843 176.000 -0.079 0.000 0.980 198 Q CA 1.976 57.800 55.803 0.036 0.000 0.862 198 Q CB -0.169 28.635 28.738 0.110 0.000 0.905 198 Q HN 0.848 nan 8.270 nan 0.000 0.429 199 Y N -2.015 118.279 120.300 -0.011 0.000 2.481 199 Y HA 0.316 4.869 4.550 0.004 0.000 0.247 199 Y C 1.024 176.919 175.900 -0.007 0.000 1.151 199 Y CA -0.195 57.897 58.100 -0.013 0.000 1.238 199 Y CB 1.158 39.607 38.460 -0.018 0.000 1.179 199 Y HN 0.147 nan 8.280 nan 0.000 0.524 200 G N 2.208 111.089 108.800 0.134 0.000 2.366 200 G HA2 -0.306 3.656 3.960 0.004 0.000 0.299 200 G HA3 -0.306 3.656 3.960 0.004 0.000 0.299 200 G C -0.277 174.677 174.900 0.089 0.000 1.020 200 G CA 0.199 45.350 45.100 0.085 0.000 1.026 200 G HN 0.417 nan 8.290 nan 0.000 0.512 201 I N 1.362 121.992 120.570 0.100 0.000 2.362 201 I HA 0.324 4.497 4.170 0.004 0.000 0.289 201 I C 1.033 177.194 176.117 0.073 0.000 0.994 201 I CA -0.508 60.834 61.300 0.070 0.000 1.158 201 I CB 1.622 39.648 38.000 0.044 0.000 1.315 201 I HN 0.393 nan 8.210 nan 0.000 0.451 202 S N 6.210 121.951 115.700 0.069 0.000 2.603 202 S HA 0.332 4.805 4.470 0.004 0.000 0.268 202 S C 1.105 175.737 174.600 0.053 0.000 1.317 202 S CA -0.660 57.595 58.200 0.090 0.000 1.012 202 S CB 1.404 64.651 63.200 0.077 0.000 0.926 202 S HN 0.620 nan 8.310 nan 0.000 0.539 203 L N 1.556 122.803 121.223 0.040 0.000 1.994 203 L HA -0.085 4.257 4.340 0.004 0.000 0.208 203 L C 3.064 179.886 176.870 -0.081 0.000 1.071 203 L CA 1.686 56.496 54.840 -0.050 0.000 0.745 203 L CB -1.170 40.755 42.059 -0.223 0.000 0.892 203 L HN 0.987 nan 8.230 nan 0.000 0.431 204 A N -0.318 122.437 122.820 -0.107 0.000 2.042 204 A HA -0.269 4.054 4.320 0.004 0.000 0.222 204 A C 2.050 179.608 177.584 -0.044 0.000 1.167 204 A CA 1.960 53.947 52.037 -0.084 0.000 0.649 204 A CB -0.457 18.499 19.000 -0.073 0.000 0.809 204 A HN 0.540 nan 8.150 nan 0.000 0.457 205 E N -0.539 119.647 120.200 -0.025 0.000 2.028 205 E HA -0.093 4.260 4.350 0.004 0.000 0.190 205 E C 2.046 178.637 176.600 -0.015 0.000 0.984 205 E CA 1.193 57.585 56.400 -0.013 0.000 0.800 205 E CB -0.306 29.395 29.700 0.001 0.000 0.758 205 E HN 0.412 nan 8.360 nan 0.000 0.448 206 V N 2.011 121.918 119.914 -0.011 0.000 2.282 206 V HA -0.331 3.792 4.120 0.004 0.000 0.249 206 V C 2.430 178.518 176.094 -0.010 0.000 1.057 206 V CA 2.205 64.502 62.300 -0.006 0.000 1.032 206 V CB -0.598 31.229 31.823 0.006 0.000 0.645 206 V HN 0.228 nan 8.190 nan 0.000 0.447 207 K N 0.181 120.567 120.400 -0.023 0.000 2.063 207 K HA -0.193 4.129 4.320 0.004 0.000 0.208 207 K C 2.285 178.870 176.600 -0.025 0.000 1.048 207 K CA 1.954 58.225 56.287 -0.025 0.000 0.928 207 K CB -0.222 32.249 32.500 -0.047 0.000 0.713 207 K HN 0.467 nan 8.250 nan 0.000 0.442 208 S N 0.277 115.960 115.700 -0.028 0.000 2.387 208 S HA -0.043 4.430 4.470 0.004 0.000 0.226 208 S C 1.940 176.523 174.600 -0.028 0.000 1.026 208 S CA 0.890 59.074 58.200 -0.028 0.000 0.972 208 S CB -0.087 63.098 63.200 -0.026 0.000 0.814 208 S HN 0.520 nan 8.310 nan 0.000 0.477 209 A N 1.330 124.136 122.820 -0.024 0.000 2.019 209 A HA -0.001 4.322 4.320 0.004 0.000 0.219 209 A C 2.011 179.573 177.584 -0.037 0.000 1.164 209 A CA 0.920 52.943 52.037 -0.025 0.000 0.644 209 A CB -0.444 18.547 19.000 -0.014 0.000 0.805 209 A HN 0.387 nan 8.150 nan 0.000 0.449 210 L N 0.135 121.338 121.223 -0.034 0.000 2.049 210 L HA -0.081 4.261 4.340 0.004 0.000 0.203 210 L C 1.621 178.452 176.870 -0.066 0.000 1.074 210 L CA 2.314 57.126 54.840 -0.048 0.000 0.749 210 L CB -1.517 40.534 42.059 -0.013 0.000 0.907 210 L HN 0.344 nan 8.230 nan 0.000 0.439 211 D N 0.101 120.474 120.400 -0.046 0.000 2.190 211 D HA -0.151 4.491 4.640 0.004 0.000 0.200 211 D C 1.683 177.943 176.300 -0.067 0.000 0.992 211 D CA 1.395 55.366 54.000 -0.047 0.000 0.854 211 D CB 0.040 40.820 40.800 -0.034 0.000 0.936 211 D HN 0.386 nan 8.370 nan 0.000 0.462 212 A N -0.622 122.157 122.820 -0.068 0.000 2.415 212 A HA 0.275 4.597 4.320 0.004 0.000 0.248 212 A C 0.862 178.387 177.584 -0.097 0.000 1.299 212 A CA -0.138 51.854 52.037 -0.075 0.000 0.899 212 A CB 0.410 19.377 19.000 -0.055 0.000 0.997 212 A HN 0.012 nan 8.150 nan 0.000 0.506 213 S N 0.467 116.093 115.700 -0.123 0.000 2.751 213 S HA 0.236 4.708 4.470 0.004 0.000 0.247 213 S C -0.007 174.469 174.600 -0.208 0.000 1.103 213 S CA -0.427 57.682 58.200 -0.151 0.000 1.090 213 S CB -0.192 62.921 63.200 -0.145 0.000 0.928 213 S HN 0.431 nan 8.310 nan 0.000 0.502 214 N N 2.078 120.647 118.700 -0.218 0.000 2.639 214 N HA 0.236 4.978 4.740 0.004 0.000 0.265 214 N C -1.056 174.194 175.510 -0.433 0.000 1.689 214 N CA 0.113 53.006 53.050 -0.261 0.000 0.813 214 N CB 0.519 38.902 38.487 -0.173 0.000 1.353 214 N HN 0.265 nan 8.380 nan 0.000 0.510 215 Q N -0.463 119.021 119.800 -0.526 0.000 2.687 215 Q HA 0.586 4.928 4.340 0.004 0.000 0.305 215 Q C -0.946 174.689 176.000 -0.608 0.000 1.006 215 Q CA -0.675 54.746 55.803 -0.637 0.000 0.763 215 Q CB 1.887 30.439 28.738 -0.310 0.000 1.506 215 Q HN 0.093 nan 8.270 nan 0.000 0.459 216 E N -0.568 119.383 120.200 -0.415 0.000 2.416 216 E HA 0.889 5.242 4.350 0.004 0.000 0.273 216 E C -1.526 175.014 176.600 -0.099 0.000 0.935 216 E CA -1.183 55.105 56.400 -0.186 0.000 0.784 216 E CB 2.368 32.038 29.700 -0.051 0.000 1.301 216 E HN 0.554 nan 8.360 nan 0.000 0.454 217 A N 0.279 123.067 122.820 -0.054 0.000 2.612 217 A HA 0.798 5.121 4.320 0.004 0.000 0.293 217 A C -1.172 176.404 177.584 -0.014 0.000 1.075 217 A CA -0.263 51.754 52.037 -0.033 0.000 0.680 217 A CB 2.027 21.002 19.000 -0.042 0.000 1.279 217 A HN 0.547 nan 8.150 nan 0.000 0.411 218 G N -0.673 108.123 108.800 -0.006 0.000 2.643 218 G HA2 0.565 4.527 3.960 0.004 0.000 0.305 218 G HA3 0.565 4.527 3.960 0.004 0.000 0.305 218 G C -0.029 174.873 174.900 0.002 0.000 1.387 218 G CA 0.133 45.234 45.100 0.003 0.000 0.982 218 G HN 1.554 nan 8.290 nan 0.000 0.501 219 G N 0.718 109.522 108.800 0.006 0.000 4.464 219 G HA2 0.487 4.449 3.960 0.004 0.000 0.297 219 G HA3 0.487 4.449 3.960 0.004 0.000 0.297 219 G C 0.582 175.489 174.900 0.011 0.000 1.342 219 G CA 0.812 45.915 45.100 0.005 0.000 1.335 219 G HN 1.536 nan 8.290 nan 0.000 0.609 220 S N -0.539 115.168 115.700 0.013 0.000 3.583 220 S HA -0.227 4.245 4.470 0.004 0.000 0.629 220 S C 0.558 175.175 174.600 0.027 0.000 2.549 220 S CA 1.293 59.503 58.200 0.016 0.000 3.665 220 S CB -1.308 61.900 63.200 0.013 0.000 0.265 220 S HN 2.069 nan 8.310 nan 0.000 1.206 221 S N 1.257 116.976 115.700 0.031 0.000 2.672 221 S HA 0.678 5.150 4.470 0.004 0.000 0.291 221 S C -0.441 174.190 174.600 0.053 0.000 1.145 221 S CA -0.359 57.871 58.200 0.050 0.000 1.013 221 S CB 1.091 64.317 63.200 0.044 0.000 1.017 221 S HN 1.251 nan 8.310 nan 0.000 0.487 222 I N -0.119 120.492 120.570 0.069 0.000 2.359 222 I HA 0.532 4.704 4.170 0.004 0.000 0.294 222 I C 0.195 176.363 176.117 0.085 0.000 0.987 222 I CA -0.625 60.705 61.300 0.050 0.000 1.225 222 I CB 1.347 39.356 38.000 0.015 0.000 1.366 222 I HN 0.804 nan 8.210 nan 0.000 0.466 223 E N 7.226 127.464 120.200 0.064 0.000 1.865 223 E HA 0.250 4.602 4.350 0.004 0.000 0.269 223 E C -1.015 175.619 176.600 0.056 0.000 1.177 223 E CA -0.702 55.750 56.400 0.087 0.000 0.932 223 E CB 0.683 30.417 29.700 0.057 0.000 1.066 223 E HN 0.668 nan 8.360 nan 0.000 0.405 224 L N 3.216 124.473 121.223 0.057 0.000 2.344 224 L HA 0.805 5.148 4.340 0.004 0.000 0.272 224 L C 0.437 177.340 176.870 0.056 0.000 1.035 224 L CA 0.387 55.196 54.840 -0.051 0.000 0.807 224 L CB 1.453 43.330 42.059 -0.303 0.000 1.237 224 L HN 0.627 nan 8.230 nan 0.000 0.442 225 A N 2.193 125.026 122.820 0.023 0.000 5.295 225 A HA -0.342 3.980 4.320 0.004 0.000 0.313 225 A C 1.294 178.919 177.584 0.068 0.000 1.912 225 A CA 1.457 53.531 52.037 0.062 0.000 0.714 225 A CB -2.009 17.066 19.000 0.126 0.000 1.319 225 A HN 1.033 nan 8.150 nan 0.000 0.375 226 E N -0.716 119.535 120.200 0.085 0.000 2.465 226 E HA 0.556 4.908 4.350 0.004 0.000 0.209 226 E C 0.573 177.215 176.600 0.070 0.000 0.951 226 E CA 1.152 57.588 56.400 0.060 0.000 0.997 226 E CB 0.482 30.206 29.700 0.040 0.000 1.025 226 E HN 1.240 nan 8.360 nan 0.000 0.500 227 A N 0.566 123.451 122.820 0.108 0.000 2.282 227 A HA 0.445 4.768 4.320 0.004 0.000 0.319 227 A C -0.331 177.333 177.584 0.132 0.000 1.121 227 A CA -0.558 51.519 52.037 0.067 0.000 0.836 227 A CB 0.610 19.595 19.000 -0.024 0.000 1.146 227 A HN 0.051 nan 8.150 nan 0.000 0.494 228 E N 0.658 120.888 120.200 0.051 0.000 2.259 228 E HA 0.224 4.576 4.350 0.004 0.000 0.281 228 E C -1.519 175.109 176.600 0.046 0.000 1.037 228 E CA 0.353 56.804 56.400 0.085 0.000 0.854 228 E CB 0.751 30.471 29.700 0.033 0.000 1.051 228 E HN 0.497 nan 8.360 nan 0.000 0.409 229 Y N 1.759 122.058 120.300 -0.001 0.000 2.328 229 Y HA 0.220 4.773 4.550 0.004 0.000 0.337 229 Y C 0.854 176.753 175.900 -0.001 0.000 1.008 229 Y CA -0.368 57.731 58.100 -0.001 0.000 1.129 229 Y CB 1.114 39.574 38.460 -0.001 0.000 1.185 229 Y HN 0.377 nan 8.280 nan 0.000 0.476 230 M N 3.306 122.950 119.600 0.074 0.000 2.238 230 M HA 0.325 4.807 4.480 0.004 0.000 0.347 230 M C -1.059 175.291 176.300 0.083 0.000 1.173 230 M CA -0.124 55.208 55.300 0.054 0.000 1.147 230 M CB 0.417 33.024 32.600 0.012 0.000 1.547 230 M HN 0.366 nan 8.290 nan 0.000 0.455 231 V N 5.559 125.508 119.914 0.059 0.000 2.305 231 V HA 0.391 4.513 4.120 0.004 0.000 0.275 231 V C -0.055 176.059 176.094 0.033 0.000 1.020 231 V CA -0.737 61.594 62.300 0.053 0.000 0.811 231 V CB 0.962 32.811 31.823 0.043 0.000 1.031 231 V HN 0.827 nan 8.190 nan 0.000 0.439 232 R N 3.473 123.993 120.500 0.034 0.000 2.528 232 R HA 0.818 5.160 4.340 0.004 0.000 0.271 232 R C -0.481 175.830 176.300 0.018 0.000 1.056 232 R CA -0.182 55.934 56.100 0.026 0.000 1.117 232 R CB 1.668 31.987 30.300 0.032 0.000 1.085 232 R HN 0.674 nan 8.270 nan 0.000 0.530 233 A N 2.581 125.405 122.820 0.008 0.000 2.411 233 A HA 0.307 4.630 4.320 0.004 0.000 0.285 233 A C -0.237 177.341 177.584 -0.010 0.000 1.129 233 A CA -0.647 51.388 52.037 -0.003 0.000 0.736 233 A CB 1.069 20.060 19.000 -0.015 0.000 1.186 233 A HN 0.919 nan 8.150 nan 0.000 0.445 234 S N 1.454 117.154 115.700 -0.000 0.000 2.563 234 S HA 0.468 4.940 4.470 0.004 0.000 0.269 234 S C 0.958 175.535 174.600 -0.037 0.000 1.364 234 S CA 0.658 58.862 58.200 0.006 0.000 1.010 234 S CB 0.934 64.140 63.200 0.010 0.000 0.877 234 S HN 2.236 nan 8.310 nan 0.000 0.549 235 G N -0.675 108.097 108.800 -0.047 0.000 4.491 235 G HA2 0.066 4.028 3.960 0.004 0.000 0.216 235 G HA3 0.066 4.028 3.960 0.004 0.000 0.216 235 G C -0.424 174.373 174.900 -0.171 0.000 0.705 235 G CA -0.634 44.387 45.100 -0.130 0.000 0.832 235 G HN 0.641 nan 8.290 nan 0.000 0.602 236 Y N 0.928 121.184 120.300 -0.074 0.000 2.425 236 Y HA 0.455 5.008 4.550 0.004 0.000 0.331 236 Y C 0.722 176.547 175.900 -0.125 0.000 1.157 236 Y CA -0.681 57.362 58.100 -0.094 0.000 1.372 236 Y CB 0.913 39.331 38.460 -0.069 0.000 1.253 236 Y HN -0.058 nan 8.280 nan 0.000 0.536 237 L N 4.593 125.805 121.223 -0.017 0.000 2.562 237 L HA -0.043 4.299 4.340 0.004 0.000 0.271 237 L C 0.666 177.539 176.870 0.004 0.000 1.167 237 L CA 0.667 55.414 54.840 -0.154 0.000 0.917 237 L CB 0.242 41.986 42.059 -0.524 0.000 1.187 237 L HN 0.823 nan 8.230 nan 0.000 0.482 238 Q N 0.681 120.511 119.800 0.049 0.000 2.506 238 Q HA 0.207 4.550 4.340 0.004 0.000 0.239 238 Q C 0.079 176.149 176.000 0.117 0.000 0.782 238 Q CA -0.235 55.608 55.803 0.067 0.000 0.972 238 Q CB 0.196 28.958 28.738 0.040 0.000 1.304 238 Q HN 0.484 nan 8.270 nan 0.000 0.534 239 T N 2.024 116.646 114.554 0.113 0.000 2.882 239 T HA 0.276 4.629 4.350 0.004 0.000 0.287 239 T C 0.958 175.790 174.700 0.220 0.000 0.992 239 T CA -0.476 61.697 62.100 0.121 0.000 1.076 239 T CB 1.655 70.552 68.868 0.050 0.000 0.961 239 T HN 0.173 nan 8.240 nan 0.000 0.490 240 L N 1.466 122.797 121.223 0.180 0.000 2.261 240 L HA -0.137 4.205 4.340 0.004 0.000 0.216 240 L C 2.214 179.196 176.870 0.187 0.000 1.114 240 L CA 1.408 56.347 54.840 0.165 0.000 0.777 240 L CB -0.118 41.977 42.059 0.059 0.000 0.910 240 L HN 0.718 nan 8.230 nan 0.000 0.440 241 D N 0.168 120.634 120.400 0.111 0.000 2.117 241 D HA -0.212 4.430 4.640 0.004 0.000 0.198 241 D C 1.558 177.884 176.300 0.044 0.000 0.982 241 D CA 1.370 55.392 54.000 0.038 0.000 0.828 241 D CB 0.067 40.825 40.800 -0.070 0.000 0.967 241 D HN 0.313 nan 8.370 nan 0.000 0.464 242 D N -1.146 119.296 120.400 0.070 0.000 2.218 242 D HA -0.116 4.526 4.640 0.004 0.000 0.204 242 D C 1.661 177.977 176.300 0.027 0.000 0.976 242 D CA 0.578 54.582 54.000 0.008 0.000 0.853 242 D CB -0.269 40.514 40.800 -0.029 0.000 0.939 242 D HN 0.280 nan 8.370 nan 0.000 0.481 243 F N 0.653 120.606 119.950 0.006 0.000 2.206 243 F HA -0.021 4.508 4.527 0.004 0.000 0.298 243 F C 2.184 178.022 175.800 0.062 0.000 1.090 243 F CA 0.650 58.668 58.000 0.030 0.000 1.323 243 F CB -0.291 38.739 39.000 0.050 0.000 1.028 243 F HN -0.066 nan 8.300 nan 0.000 0.492 244 N N -0.636 118.232 118.700 0.280 0.000 2.309 244 N HA -0.145 4.598 4.740 0.004 0.000 0.182 244 N C 0.699 176.305 175.510 0.162 0.000 1.018 244 N CA 1.084 54.269 53.050 0.224 0.000 0.876 244 N CB -0.438 38.190 38.487 0.235 0.000 0.972 244 N HN 0.316 nan 8.380 nan 0.000 0.434 245 H N -0.020 118.982 119.070 -0.113 0.000 2.524 245 H HA 0.289 4.847 4.556 0.004 0.000 0.299 245 H C 0.031 175.356 175.328 -0.004 0.000 1.074 245 H CA -0.426 55.454 56.048 -0.280 0.000 1.115 245 H CB -0.075 29.427 29.762 -0.433 0.000 1.522 245 H HN 0.024 nan 8.280 nan 0.000 0.543 246 I N 2.042 122.691 120.570 0.131 0.000 2.574 246 I HA -0.076 4.096 4.170 0.004 0.000 0.291 246 I C 0.578 176.783 176.117 0.147 0.000 1.131 246 I CA 0.020 61.374 61.300 0.090 0.000 1.352 246 I CB -0.066 37.955 38.000 0.034 0.000 1.431 246 I HN 0.051 nan 8.210 nan 0.000 0.543 247 V N 8.595 128.602 119.914 0.155 0.000 2.458 247 V HA -0.038 4.084 4.120 0.004 0.000 0.287 247 V C 0.904 177.014 176.094 0.027 0.000 1.009 247 V CA 0.648 63.017 62.300 0.115 0.000 1.091 247 V CB 0.529 32.406 31.823 0.091 0.000 0.960 247 V HN 0.651 nan 8.190 nan 0.000 0.476 248 L N 4.890 126.103 121.223 -0.017 0.000 2.370 248 L HA 0.390 4.732 4.340 0.004 0.000 0.191 248 L C 1.038 177.887 176.870 -0.035 0.000 1.203 248 L CA 0.256 55.078 54.840 -0.031 0.000 0.825 248 L CB -0.068 41.958 42.059 -0.054 0.000 1.048 248 L HN 0.483 nan 8.230 nan 0.000 0.487 249 K N 0.351 120.719 120.400 -0.053 0.000 2.292 249 K HA 0.654 4.976 4.320 0.004 0.000 0.257 249 K C -1.446 175.119 176.600 -0.058 0.000 0.940 249 K CA -0.400 55.869 56.287 -0.031 0.000 0.811 249 K CB 1.981 34.488 32.500 0.011 0.000 1.120 249 K HN 0.179 nan 8.250 nan 0.000 0.428 250 A N 2.111 124.904 122.820 -0.045 0.000 2.371 250 A HA 0.481 4.803 4.320 0.004 0.000 0.311 250 A C -0.943 176.621 177.584 -0.033 0.000 1.068 250 A CA -0.764 51.239 52.037 -0.057 0.000 0.744 250 A CB 1.381 20.350 19.000 -0.051 0.000 1.239 250 A HN 0.686 nan 8.150 nan 0.000 0.435 251 S N 2.451 118.130 115.700 -0.035 0.000 2.429 251 S HA 0.450 4.922 4.470 0.004 0.000 0.302 251 S C -0.034 174.555 174.600 -0.018 0.000 1.115 251 S CA -0.599 57.588 58.200 -0.022 0.000 1.095 251 S CB 0.539 63.726 63.200 -0.022 0.000 0.987 251 S HN 0.825 nan 8.310 nan 0.000 0.474 252 E N 2.947 123.139 120.200 -0.013 0.000 2.608 252 E HA -0.100 4.252 4.350 0.004 0.000 0.259 252 E C -0.255 176.341 176.600 -0.008 0.000 0.951 252 E CA 0.243 56.638 56.400 -0.009 0.000 0.945 252 E CB -0.565 29.131 29.700 -0.007 0.000 0.916 252 E HN 0.871 nan 8.360 nan 0.000 0.477 253 N N 1.316 120.013 118.700 -0.005 0.000 2.780 253 N HA -0.167 4.576 4.740 0.004 0.000 0.248 253 N C -0.224 175.283 175.510 -0.005 0.000 1.102 253 N CA 0.519 53.568 53.050 -0.003 0.000 0.697 253 N CB -0.950 37.534 38.487 -0.004 0.000 1.028 253 N HN 0.900 nan 8.380 nan 0.000 0.554 254 G N -1.521 107.275 108.800 -0.007 0.000 2.317 254 G HA2 0.308 4.270 3.960 0.004 0.000 0.293 254 G HA3 0.308 4.270 3.960 0.004 0.000 0.293 254 G C -0.789 174.099 174.900 -0.021 0.000 1.287 254 G CA -0.331 44.764 45.100 -0.009 0.000 0.850 254 G HN 0.524 nan 8.290 nan 0.000 0.515 255 V N 1.651 121.549 119.914 -0.025 0.000 2.726 255 V HA 0.376 4.498 4.120 0.004 0.000 0.304 255 V C -1.815 174.207 176.094 -0.119 0.000 1.115 255 V CA 0.070 62.336 62.300 -0.056 0.000 1.264 255 V CB 0.623 32.421 31.823 -0.040 0.000 0.867 255 V HN 0.619 nan 8.190 nan 0.000 0.498 256 P HA 0.419 nan 4.420 nan 0.000 0.293 256 P C -1.157 175.774 177.300 -0.617 0.000 1.291 256 P CA -0.468 62.403 63.100 -0.381 0.000 0.867 256 P CB 1.437 32.882 31.700 -0.426 0.000 1.074 257 V N 3.676 123.354 119.914 -0.393 0.000 2.408 257 V HA 0.173 4.296 4.120 0.004 0.000 0.267 257 V C -0.078 175.769 176.094 -0.411 0.000 1.047 257 V CA -0.104 61.986 62.300 -0.350 0.000 0.937 257 V CB -1.089 30.642 31.823 -0.155 0.000 0.999 257 V HN 0.430 nan 8.190 nan 0.000 0.472 258 Y N 2.786 123.006 120.300 -0.134 0.000 2.374 258 Y HA 0.330 4.882 4.550 0.004 0.000 0.322 258 Y C 1.228 177.053 175.900 -0.125 0.000 1.275 258 Y CA -0.769 57.251 58.100 -0.134 0.000 1.307 258 Y CB 1.073 39.405 38.460 -0.215 0.000 1.282 258 Y HN 0.414 nan 8.280 nan 0.000 0.509 259 L N 1.397 122.687 121.223 0.112 0.000 2.129 259 L HA -0.256 4.086 4.340 0.004 0.000 0.212 259 L C 2.545 179.440 176.870 0.042 0.000 1.087 259 L CA 1.700 56.572 54.840 0.053 0.000 0.757 259 L CB -0.229 41.884 42.059 0.090 0.000 0.896 259 L HN 0.775 nan 8.230 nan 0.000 0.434 260 R N -0.839 119.707 120.500 0.077 0.000 2.193 260 R HA -0.176 4.166 4.340 0.004 0.000 0.229 260 R C 1.120 177.428 176.300 0.013 0.000 1.110 260 R CA 1.765 57.899 56.100 0.057 0.000 0.988 260 R CB -0.497 29.840 30.300 0.061 0.000 0.871 260 R HN 0.303 nan 8.270 nan 0.000 0.458 261 D N 0.561 120.939 120.400 -0.038 0.000 2.336 261 D HA -0.001 4.641 4.640 0.004 0.000 0.229 261 D C 0.911 177.057 176.300 -0.256 0.000 1.061 261 D CA 0.897 54.812 54.000 -0.141 0.000 0.875 261 D CB 1.113 41.768 40.800 -0.241 0.000 0.904 261 D HN 0.365 nan 8.370 nan 0.000 0.525 262 V N -4.171 115.648 119.914 -0.158 0.000 3.544 262 V HA 0.725 4.847 4.120 0.004 0.000 0.298 262 V C 0.001 176.068 176.094 -0.046 0.000 1.580 262 V CA -0.192 62.025 62.300 -0.139 0.000 1.122 262 V CB 0.064 31.777 31.823 -0.182 0.000 0.951 262 V HN 0.002 nan 8.190 nan 0.000 0.448 263 A N 0.183 122.997 122.820 -0.010 0.000 2.590 263 A HA 0.603 4.926 4.320 0.004 0.000 0.296 263 A C -1.095 176.513 177.584 0.040 0.000 1.050 263 A CA -0.573 51.478 52.037 0.024 0.000 0.697 263 A CB 1.401 20.426 19.000 0.042 0.000 1.277 263 A HN 0.248 nan 8.150 nan 0.000 0.411 264 K N 1.475 121.901 120.400 0.043 0.000 2.258 264 K HA 0.557 4.879 4.320 0.004 0.000 0.284 264 K C -1.116 175.510 176.600 0.044 0.000 1.051 264 K CA -0.240 56.072 56.287 0.042 0.000 0.923 264 K CB 0.876 33.397 32.500 0.035 0.000 1.046 264 K HN 0.479 nan 8.250 nan 0.000 0.474 265 V N 6.380 126.319 119.914 0.041 0.000 2.311 265 V HA 0.166 4.288 4.120 0.004 0.000 0.275 265 V C -0.457 175.616 176.094 -0.035 0.000 1.022 265 V CA -0.624 61.689 62.300 0.021 0.000 0.830 265 V CB 0.921 32.785 31.823 0.067 0.000 1.012 265 V HN 0.808 nan 8.190 nan 0.000 0.452 266 Q N 3.980 123.743 119.800 -0.061 0.000 2.356 266 Q HA 0.681 5.023 4.340 0.004 0.000 0.270 266 Q C -1.101 174.795 176.000 -0.173 0.000 1.058 266 Q CA -1.111 54.635 55.803 -0.095 0.000 0.802 266 Q CB 2.544 31.248 28.738 -0.057 0.000 1.303 266 Q HN 0.439 nan 8.270 nan 0.000 0.444 267 I N 2.475 122.893 120.570 -0.252 0.000 2.664 267 I HA 0.289 4.461 4.170 0.004 0.000 0.284 267 I C 0.524 176.497 176.117 -0.239 0.000 1.154 267 I CA 1.155 62.223 61.300 -0.387 0.000 1.402 267 I CB 0.515 38.244 38.000 -0.452 0.000 1.395 267 I HN 0.785 nan 8.210 nan 0.000 0.545 268 G N 7.471 116.148 108.800 -0.206 0.000 2.642 268 G HA2 0.690 4.652 3.960 0.004 0.000 0.293 268 G HA3 0.690 4.652 3.960 0.004 0.000 0.293 268 G C -3.045 171.807 174.900 -0.081 0.000 1.341 268 G CA -1.344 43.689 45.100 -0.111 0.000 0.916 268 G HN 0.316 nan 8.290 nan 0.000 0.474 269 P HA 0.129 nan 4.420 nan 0.000 0.276 269 P C -0.093 177.216 177.300 0.015 0.000 1.253 269 P CA -0.007 63.089 63.100 -0.006 0.000 0.766 269 P CB 1.436 33.136 31.700 0.001 0.000 0.845 270 E N 4.123 124.348 120.200 0.041 0.000 2.404 270 E HA 0.058 4.410 4.350 0.004 0.000 0.261 270 E C 0.110 176.735 176.600 0.043 0.000 1.074 270 E CA -0.551 55.881 56.400 0.054 0.000 0.917 270 E CB 0.509 30.263 29.700 0.090 0.000 0.965 270 E HN 0.411 nan 8.360 nan 0.000 0.433 271 M N 3.701 123.318 119.600 0.028 0.000 2.290 271 M HA -0.016 4.466 4.480 0.004 0.000 0.356 271 M C -0.280 176.032 176.300 0.020 0.000 1.448 271 M CA 0.446 55.753 55.300 0.012 0.000 0.993 271 M CB 0.318 32.909 32.600 -0.015 0.000 1.934 271 M HN 0.431 nan 8.290 nan 0.000 0.461 272 R N 3.498 124.012 120.500 0.025 0.000 2.582 272 R HA 0.243 4.586 4.340 0.004 0.000 0.271 272 R C 0.584 176.906 176.300 0.036 0.000 1.078 272 R CA 0.192 56.316 56.100 0.039 0.000 1.127 272 R CB 0.625 30.951 30.300 0.042 0.000 1.038 272 R HN 0.715 nan 8.270 nan 0.000 0.500 273 R N 0.250 120.789 120.500 0.065 0.000 2.549 273 R HA 0.325 4.667 4.340 0.004 0.000 0.344 273 R C -0.218 176.150 176.300 0.114 0.000 0.979 273 R CA -0.112 56.045 56.100 0.095 0.000 1.140 273 R CB 1.236 31.616 30.300 0.132 0.000 1.377 273 R HN 0.564 nan 8.270 nan 0.000 0.541 274 G N 1.567 110.423 108.800 0.092 0.000 2.659 274 G HA2 0.505 4.468 3.960 0.004 0.000 0.291 274 G HA3 0.505 4.468 3.960 0.004 0.000 0.291 274 G C -1.501 173.440 174.900 0.068 0.000 1.379 274 G CA -0.562 44.594 45.100 0.092 0.000 1.254 274 G HN 0.011 nan 8.290 nan 0.000 0.590 275 I N 2.141 122.739 120.570 0.047 0.000 2.339 275 I HA 0.629 4.801 4.170 0.004 0.000 0.290 275 I C 0.653 176.754 176.117 -0.026 0.000 0.994 275 I CA -0.449 60.859 61.300 0.014 0.000 1.191 275 I CB 1.969 39.970 38.000 0.001 0.000 1.343 275 I HN 0.637 nan 8.210 nan 0.000 0.458 276 A N 5.688 128.476 122.820 -0.052 0.000 2.312 276 A HA 0.853 5.175 4.320 0.004 0.000 0.328 276 A C -0.408 176.997 177.584 -0.298 0.000 1.158 276 A CA -0.342 51.566 52.037 -0.215 0.000 0.821 276 A CB 1.166 20.125 19.000 -0.068 0.000 1.170 276 A HN 0.630 nan 8.150 nan 0.000 0.490 277 E N 1.731 121.606 120.200 -0.543 0.000 2.335 277 E HA 0.329 4.681 4.350 0.004 0.000 0.280 277 E C -2.214 174.158 176.600 -0.380 0.000 0.918 277 E CA -0.433 55.767 56.400 -0.334 0.000 0.765 277 E CB 1.718 31.301 29.700 -0.195 0.000 1.218 277 E HN 0.651 nan 8.360 nan 0.000 0.425 278 L N 4.871 125.995 121.223 -0.165 0.000 2.287 278 L HA 0.378 4.720 4.340 0.004 0.000 0.287 278 L C 0.582 177.441 176.870 -0.018 0.000 1.022 278 L CA 0.052 54.865 54.840 -0.045 0.000 0.814 278 L CB 0.325 42.421 42.059 0.061 0.000 1.217 278 L HN 0.833 nan 8.230 nan 0.000 0.420 279 N N 2.579 121.278 118.700 -0.002 0.000 1.170 279 N HA -0.283 4.459 4.740 0.004 0.000 0.121 279 N C 0.753 176.250 175.510 -0.022 0.000 0.786 279 N CA 1.525 54.573 53.050 -0.003 0.000 0.876 279 N CB -0.896 37.597 38.487 0.009 0.000 1.094 279 N HN 0.792 nan 8.380 nan 0.000 0.586 280 G N -0.757 108.034 108.800 -0.016 0.000 3.228 280 G HA2 0.191 4.154 3.960 0.004 0.000 0.245 280 G HA3 0.191 4.154 3.960 0.004 0.000 0.245 280 G C 0.642 175.535 174.900 -0.012 0.000 1.051 280 G CA 0.185 45.273 45.100 -0.019 0.000 0.809 280 G HN 0.471 nan 8.290 nan 0.000 0.531 281 E N -0.020 120.177 120.200 -0.005 0.000 2.051 281 E HA 0.187 4.540 4.350 0.004 0.000 0.189 281 E C 1.171 177.774 176.600 0.005 0.000 0.979 281 E CA 0.720 57.121 56.400 0.003 0.000 0.803 281 E CB 0.258 29.965 29.700 0.012 0.000 0.761 281 E HN 0.278 nan 8.360 nan 0.000 0.451 282 G N 0.966 109.769 108.800 0.004 0.000 2.711 282 G HA2 0.147 4.109 3.960 0.004 0.000 0.288 282 G HA3 0.147 4.109 3.960 0.004 0.000 0.288 282 G C -1.519 173.376 174.900 -0.007 0.000 1.451 282 G CA -0.677 44.427 45.100 0.008 0.000 1.186 282 G HN -0.030 nan 8.290 nan 0.000 0.560 283 E N 1.586 121.778 120.200 -0.013 0.000 2.417 283 E HA 0.343 4.695 4.350 0.004 0.000 0.261 283 E C -0.354 176.246 176.600 0.001 0.000 1.000 283 E CA 0.067 56.450 56.400 -0.028 0.000 0.919 283 E CB 0.830 30.519 29.700 -0.019 0.000 0.955 283 E HN 0.183 nan 8.360 nan 0.000 0.455 284 V N 2.588 122.498 119.914 -0.007 0.000 3.102 284 V HA 0.632 4.754 4.120 0.004 0.000 0.312 284 V C -0.409 175.742 176.094 0.095 0.000 1.135 284 V CA -0.822 61.516 62.300 0.064 0.000 1.022 284 V CB 1.924 33.817 31.823 0.117 0.000 1.056 284 V HN 0.820 nan 8.190 nan 0.000 0.436 285 A N 0.898 123.803 122.820 0.140 0.000 2.312 285 A HA 0.975 5.298 4.320 0.004 0.000 0.326 285 A C 0.172 177.888 177.584 0.221 0.000 1.172 285 A CA 0.258 52.391 52.037 0.161 0.000 0.821 285 A CB 1.246 20.328 19.000 0.136 0.000 1.166 285 A HN 1.395 nan 8.150 nan 0.000 0.493 286 G N -0.625 108.293 108.800 0.196 0.000 2.721 286 G HA2 0.735 4.697 3.960 0.004 0.000 0.296 286 G HA3 0.735 4.697 3.960 0.004 0.000 0.296 286 G C -0.458 174.318 174.900 -0.207 0.000 1.383 286 G CA -0.063 45.084 45.100 0.079 0.000 0.788 286 G HN 1.458 nan 8.290 nan 0.000 0.500 287 G N -1.784 106.532 108.800 -0.806 0.000 2.642 287 G HA2 0.795 4.758 3.960 0.004 0.000 0.293 287 G HA3 0.795 4.758 3.960 0.004 0.000 0.293 287 G C -1.115 173.233 174.900 -0.919 0.000 1.341 287 G CA 0.010 44.623 45.100 -0.811 0.000 0.916 287 G HN 1.764 nan 8.290 nan 0.000 0.474 288 V N -1.258 118.252 119.914 -0.675 0.000 2.735 288 V HA 0.825 4.947 4.120 0.004 0.000 0.310 288 V C -0.711 175.079 176.094 -0.506 0.000 1.061 288 V CA -0.954 60.940 62.300 -0.677 0.000 0.913 288 V CB 1.707 32.874 31.823 -1.093 0.000 1.005 288 V HN 0.690 nan 8.190 nan 0.000 0.428 289 V N 6.139 125.847 119.914 -0.342 0.000 2.333 289 V HA 0.494 4.616 4.120 0.004 0.000 0.274 289 V C 0.160 176.107 176.094 -0.245 0.000 1.028 289 V CA -0.320 61.844 62.300 -0.227 0.000 0.851 289 V CB 0.782 32.542 31.823 -0.104 0.000 1.000 289 V HN 0.779 nan 8.190 nan 0.000 0.456 290 I N 5.614 126.046 120.570 -0.229 0.000 2.315 290 I HA 0.304 4.476 4.170 0.004 0.000 0.291 290 I C -0.222 175.863 176.117 -0.053 0.000 1.006 290 I CA -0.650 60.566 61.300 -0.140 0.000 1.265 290 I CB 1.601 39.538 38.000 -0.106 0.000 1.387 290 I HN 0.435 nan 8.210 nan 0.000 0.475 291 L N 7.419 128.635 121.223 -0.012 0.000 2.367 291 L HA 0.276 4.618 4.340 0.004 0.000 0.275 291 L C 0.627 177.507 176.870 0.017 0.000 1.129 291 L CA 0.040 54.880 54.840 -0.001 0.000 0.839 291 L CB 0.616 42.679 42.059 0.007 0.000 1.133 291 L HN 0.576 nan 8.230 nan 0.000 0.453 292 R N 3.356 123.865 120.500 0.015 0.000 2.538 292 R HA 0.105 4.447 4.340 0.004 0.000 0.282 292 R C -0.271 176.046 176.300 0.028 0.000 1.009 292 R CA 0.021 56.138 56.100 0.029 0.000 1.063 292 R CB 0.267 30.596 30.300 0.047 0.000 0.945 292 R HN 0.845 nan 8.270 nan 0.000 0.414 293 S N 3.093 118.801 115.700 0.012 0.000 2.575 293 S HA 0.173 4.646 4.470 0.004 0.000 0.295 293 S C 1.088 175.699 174.600 0.017 0.000 1.267 293 S CA 0.658 58.859 58.200 0.002 0.000 1.074 293 S CB 0.851 64.027 63.200 -0.041 0.000 0.829 293 S HN 0.970 nan 8.310 nan 0.000 0.497 294 G N 1.924 110.736 108.800 0.021 0.000 2.141 294 G HA2 -0.197 3.766 3.960 0.004 0.000 0.242 294 G HA3 -0.197 3.766 3.960 0.004 0.000 0.242 294 G C 0.021 174.938 174.900 0.029 0.000 0.982 294 G CA -0.094 45.022 45.100 0.027 0.000 0.662 294 G HN 0.510 nan 8.290 nan 0.000 0.527 295 K N -0.013 120.403 120.400 0.027 0.000 2.267 295 K HA 0.369 4.691 4.320 0.004 0.000 0.236 295 K C 0.044 176.653 176.600 0.014 0.000 1.030 295 K CA -1.090 55.209 56.287 0.020 0.000 0.930 295 K CB 0.393 32.906 32.500 0.021 0.000 1.182 295 K HN 0.193 nan 8.250 nan 0.000 0.474 296 N N 0.657 119.362 118.700 0.009 0.000 2.469 296 N HA 0.119 4.861 4.740 0.004 0.000 0.239 296 N C 0.667 176.184 175.510 0.010 0.000 1.053 296 N CA -0.213 52.842 53.050 0.009 0.000 0.937 296 N CB 0.720 39.209 38.487 0.004 0.000 1.163 296 N HN 0.527 nan 8.380 nan 0.000 0.509 297 A N 3.978 126.808 122.820 0.016 0.000 1.884 297 A HA -0.277 4.045 4.320 0.004 0.000 0.219 297 A C 2.156 179.755 177.584 0.026 0.000 1.197 297 A CA 1.491 53.539 52.037 0.019 0.000 0.637 297 A CB -0.495 18.521 19.000 0.026 0.000 0.827 297 A HN 0.772 nan 8.150 nan 0.000 0.450 298 R N 0.022 120.541 120.500 0.032 0.000 2.136 298 R HA -0.244 4.098 4.340 0.004 0.000 0.242 298 R C 2.090 178.403 176.300 0.023 0.000 1.131 298 R CA 2.497 58.619 56.100 0.036 0.000 0.937 298 R CB -0.706 29.613 30.300 0.032 0.000 0.863 298 R HN 0.523 nan 8.270 nan 0.000 0.435 299 E N -0.354 119.852 120.200 0.010 0.000 2.085 299 E HA -0.114 4.238 4.350 0.004 0.000 0.194 299 E C 1.915 178.507 176.600 -0.012 0.000 0.994 299 E CA 1.837 58.237 56.400 -0.001 0.000 0.801 299 E CB -0.321 29.376 29.700 -0.004 0.000 0.743 299 E HN 0.258 nan 8.360 nan 0.000 0.453 300 V N 0.832 120.738 119.914 -0.013 0.000 2.343 300 V HA -0.243 3.879 4.120 0.004 0.000 0.247 300 V C 2.502 178.565 176.094 -0.051 0.000 1.051 300 V CA 1.814 64.095 62.300 -0.032 0.000 1.036 300 V CB -0.483 31.323 31.823 -0.028 0.000 0.654 300 V HN 0.299 nan 8.190 nan 0.000 0.451 301 I N 0.359 120.919 120.570 -0.018 0.000 2.163 301 I HA -0.284 3.888 4.170 0.004 0.000 0.243 301 I C 2.726 178.811 176.117 -0.053 0.000 1.085 301 I CA 1.572 62.865 61.300 -0.012 0.000 1.347 301 I CB -0.593 37.475 38.000 0.114 0.000 1.044 301 I HN 0.318 nan 8.210 nan 0.000 0.408 302 A N 0.810 123.620 122.820 -0.017 0.000 1.873 302 A HA -0.283 4.039 4.320 0.004 0.000 0.218 302 A C 2.517 180.067 177.584 -0.056 0.000 1.193 302 A CA 2.306 54.330 52.037 -0.022 0.000 0.629 302 A CB -1.055 17.941 19.000 -0.007 0.000 0.826 302 A HN 0.474 nan 8.150 nan 0.000 0.447 303 A N -0.946 121.837 122.820 -0.061 0.000 1.972 303 A HA 0.040 4.362 4.320 0.004 0.000 0.219 303 A C 2.227 179.740 177.584 -0.117 0.000 1.169 303 A CA 1.784 53.777 52.037 -0.074 0.000 0.635 303 A CB -0.793 18.170 19.000 -0.061 0.000 0.810 303 A HN 0.398 nan 8.150 nan 0.000 0.446 304 V N 0.292 120.104 119.914 -0.170 0.000 2.270 304 V HA -0.258 3.865 4.120 0.004 0.000 0.245 304 V C 2.435 178.354 176.094 -0.291 0.000 1.043 304 V CA 2.210 64.345 62.300 -0.274 0.000 1.014 304 V CB -0.655 30.901 31.823 -0.444 0.000 0.645 304 V HN 0.541 nan 8.190 nan 0.000 0.447 305 K N -0.108 120.135 120.400 -0.263 0.000 2.044 305 K HA -0.283 4.039 4.320 0.004 0.000 0.210 305 K C 2.035 178.570 176.600 -0.109 0.000 1.049 305 K CA 1.956 58.147 56.287 -0.160 0.000 0.927 305 K CB -0.565 31.901 32.500 -0.056 0.000 0.713 305 K HN 0.471 nan 8.250 nan 0.000 0.443 306 D N 1.325 121.671 120.400 -0.089 0.000 2.092 306 D HA -0.185 4.457 4.640 0.004 0.000 0.193 306 D C 1.859 178.115 176.300 -0.073 0.000 0.994 306 D CA 1.474 55.436 54.000 -0.063 0.000 0.828 306 D CB 0.063 40.833 40.800 -0.051 0.000 0.963 306 D HN -0.043 nan 8.370 nan 0.000 0.450 307 K N -0.059 120.283 120.400 -0.097 0.000 2.209 307 K HA 0.002 4.324 4.320 0.004 0.000 0.204 307 K C 2.301 178.833 176.600 -0.113 0.000 1.048 307 K CA 0.495 56.721 56.287 -0.100 0.000 0.940 307 K CB -0.233 32.195 32.500 -0.120 0.000 0.729 307 K HN 0.193 nan 8.250 nan 0.000 0.451 308 L N 0.342 121.482 121.223 -0.138 0.000 2.179 308 L HA -0.095 4.247 4.340 0.004 0.000 0.208 308 L C 1.812 178.631 176.870 -0.085 0.000 1.096 308 L CA 0.766 55.519 54.840 -0.145 0.000 0.779 308 L CB -0.205 41.739 42.059 -0.192 0.000 0.922 308 L HN 0.176 nan 8.230 nan 0.000 0.443 309 E N -0.681 119.482 120.200 -0.062 0.000 2.208 309 E HA -0.115 4.237 4.350 0.004 0.000 0.193 309 E C 2.092 178.680 176.600 -0.020 0.000 0.988 309 E CA 1.018 57.399 56.400 -0.032 0.000 0.828 309 E CB -0.320 29.366 29.700 -0.023 0.000 0.763 309 E HN 0.337 nan 8.360 nan 0.000 0.478 310 T N 1.256 115.795 114.554 -0.026 0.000 2.904 310 T HA 0.025 4.378 4.350 0.004 0.000 0.267 310 T C 1.795 176.503 174.700 0.013 0.000 1.059 310 T CA 0.597 62.691 62.100 -0.009 0.000 1.137 310 T CB 0.038 68.896 68.868 -0.017 0.000 0.879 310 T HN 0.094 nan 8.240 nan 0.000 0.467 311 L N -0.040 121.185 121.223 0.004 0.000 2.585 311 L HA 0.246 4.588 4.340 0.004 0.000 0.226 311 L C 2.295 179.209 176.870 0.074 0.000 1.113 311 L CA 0.322 55.199 54.840 0.063 0.000 0.876 311 L CB -0.183 41.881 42.059 0.008 0.000 1.072 311 L HN 0.093 nan 8.230 nan 0.000 0.468 312 K N 0.332 120.746 120.400 0.023 0.000 2.148 312 K HA -0.069 4.253 4.320 0.004 0.000 0.204 312 K C 2.022 178.637 176.600 0.025 0.000 1.050 312 K CA 1.330 57.627 56.287 0.017 0.000 0.942 312 K CB 0.019 32.519 32.500 0.001 0.000 0.724 312 K HN 0.188 nan 8.250 nan 0.000 0.446 313 S N 0.405 116.122 115.700 0.028 0.000 2.547 313 S HA -0.028 4.444 4.470 0.004 0.000 0.235 313 S C 1.600 176.212 174.600 0.020 0.000 0.980 313 S CA 0.726 58.939 58.200 0.022 0.000 0.941 313 S CB 0.137 63.349 63.200 0.020 0.000 0.763 313 S HN 0.150 nan 8.310 nan 0.000 0.532 314 S N 0.578 116.302 115.700 0.039 0.000 2.497 314 S HA 0.310 4.783 4.470 0.004 0.000 0.218 314 S C 0.434 174.994 174.600 -0.066 0.000 1.023 314 S CA -0.192 58.010 58.200 0.002 0.000 0.913 314 S CB 0.025 63.281 63.200 0.092 0.000 0.800 314 S HN 0.270 nan 8.310 nan 0.000 0.505 315 L N 3.333 124.549 121.223 -0.012 0.000 2.452 315 L HA 0.279 4.622 4.340 0.004 0.000 0.267 315 L C -1.856 174.979 176.870 -0.059 0.000 1.188 315 L CA -1.589 53.222 54.840 -0.048 0.000 0.821 315 L CB -0.575 41.480 42.059 -0.007 0.000 1.102 315 L HN 0.036 nan 8.230 nan 0.000 0.470 316 P HA -0.007 nan 4.420 nan 0.000 0.271 316 P C -1.009 176.311 177.300 0.033 0.000 1.233 316 P CA -0.360 62.723 63.100 -0.029 0.000 0.795 316 P CB 0.285 31.893 31.700 -0.153 0.000 0.936 317 E N -0.447 119.821 120.200 0.114 0.000 2.259 317 E HA 0.453 4.805 4.350 0.004 0.000 0.281 317 E C 1.184 177.869 176.600 0.142 0.000 1.037 317 E CA 0.254 56.712 56.400 0.095 0.000 0.854 317 E CB -0.346 29.397 29.700 0.072 0.000 1.051 317 E HN 0.775 nan 8.360 nan 0.000 0.409 318 G N 1.406 110.265 108.800 0.098 0.000 2.179 318 G HA2 -0.225 3.737 3.960 0.004 0.000 0.220 318 G HA3 -0.225 3.737 3.960 0.004 0.000 0.220 318 G C -0.062 174.899 174.900 0.101 0.000 0.990 318 G CA -0.110 45.056 45.100 0.108 0.000 0.646 318 G HN 0.774 nan 8.290 nan 0.000 0.517 319 V N -1.961 117.989 119.914 0.060 0.000 2.347 319 V HA 0.847 4.970 4.120 0.004 0.000 0.280 319 V C -0.182 175.929 176.094 0.028 0.000 1.021 319 V CA -1.305 61.012 62.300 0.029 0.000 0.847 319 V CB 1.895 33.694 31.823 -0.040 0.000 0.990 319 V HN 0.168 nan 8.190 nan 0.000 0.444 320 E N 4.105 124.330 120.200 0.042 0.000 2.195 320 E HA 0.523 4.875 4.350 0.004 0.000 0.271 320 E C -0.861 175.766 176.600 0.045 0.000 0.923 320 E CA -0.777 55.646 56.400 0.038 0.000 0.790 320 E CB 2.564 32.291 29.700 0.045 0.000 1.155 320 E HN 0.677 nan 8.360 nan 0.000 0.402 321 I N 3.932 124.517 120.570 0.025 0.000 2.268 321 I HA 0.072 4.244 4.170 0.004 0.000 0.290 321 I C 0.522 176.683 176.117 0.074 0.000 1.125 321 I CA -0.539 60.775 61.300 0.023 0.000 1.236 321 I CB 0.054 38.003 38.000 -0.085 0.000 1.469 321 I HN 0.125 nan 8.210 nan 0.000 0.512 322 V N 3.427 123.407 119.914 0.111 0.000 2.439 322 V HA 0.285 4.407 4.120 0.004 0.000 0.271 322 V C 0.792 176.965 176.094 0.132 0.000 1.040 322 V CA -0.367 61.999 62.300 0.111 0.000 1.002 322 V CB 0.758 32.647 31.823 0.111 0.000 1.000 322 V HN 0.811 nan 8.190 nan 0.000 0.477 323 T N 2.153 116.770 114.554 0.105 0.000 2.794 323 T HA 0.278 4.630 4.350 0.004 0.000 0.296 323 T C 0.820 175.490 174.700 -0.051 0.000 0.949 323 T CA 0.548 62.680 62.100 0.054 0.000 1.101 323 T CB 1.105 69.989 68.868 0.027 0.000 0.905 323 T HN 0.824 nan 8.240 nan 0.000 0.516 324 T N 3.051 117.527 114.554 -0.131 0.000 2.983 324 T HA 0.146 4.499 4.350 0.004 0.000 0.250 324 T C -0.312 174.337 174.700 -0.084 0.000 1.037 324 T CA 0.399 62.422 62.100 -0.130 0.000 1.142 324 T CB -0.219 68.421 68.868 -0.380 0.000 0.876 324 T HN 0.767 nan 8.240 nan 0.000 0.455 325 Y N 1.795 121.899 120.300 -0.326 0.000 2.327 325 Y HA 0.406 4.959 4.550 0.004 0.000 0.325 325 Y C -1.710 173.940 175.900 -0.416 0.000 0.999 325 Y CA -1.330 56.616 58.100 -0.258 0.000 1.195 325 Y CB 1.084 39.456 38.460 -0.146 0.000 1.132 325 Y HN -0.070 nan 8.280 nan 0.000 0.455 326 D N 5.513 126.007 120.400 0.157 0.000 2.414 326 D HA 0.162 4.804 4.640 0.004 0.000 0.232 326 D C 0.681 177.153 176.300 0.287 0.000 1.070 326 D CA -0.429 53.581 54.000 0.017 0.000 0.839 326 D CB 1.599 42.359 40.800 -0.066 0.000 1.079 326 D HN 0.770 nan 8.370 nan 0.000 0.521 327 R N 2.216 122.867 120.500 0.250 0.000 2.193 327 R HA -0.076 4.266 4.340 0.004 0.000 0.213 327 R C 1.721 178.122 176.300 0.167 0.000 1.055 327 R CA 1.712 57.985 56.100 0.288 0.000 0.995 327 R CB -0.148 30.211 30.300 0.099 0.000 0.893 327 R HN 0.359 nan 8.270 nan 0.000 0.459 328 S N -0.326 115.456 115.700 0.136 0.000 2.442 328 S HA -0.183 4.289 4.470 0.004 0.000 0.236 328 S C 1.732 176.384 174.600 0.088 0.000 1.007 328 S CA 0.832 59.095 58.200 0.104 0.000 0.965 328 S CB -0.227 63.037 63.200 0.108 0.000 0.773 328 S HN 0.505 nan 8.310 nan 0.000 0.504 329 Q N 0.496 120.351 119.800 0.090 0.000 2.002 329 Q HA -0.102 4.241 4.340 0.004 0.000 0.204 329 Q C 2.247 178.282 176.000 0.059 0.000 0.988 329 Q CA 1.795 57.637 55.803 0.065 0.000 0.843 329 Q CB -0.474 28.295 28.738 0.050 0.000 0.908 329 Q HN 0.550 nan 8.270 nan 0.000 0.420 330 L N 0.907 122.170 121.223 0.067 0.000 2.013 330 L HA -0.241 4.102 4.340 0.004 0.000 0.212 330 L C 2.078 178.981 176.870 0.054 0.000 1.073 330 L CA 1.517 56.391 54.840 0.057 0.000 0.753 330 L CB -0.542 41.557 42.059 0.067 0.000 0.890 330 L HN 0.264 nan 8.230 nan 0.000 0.432 331 I N 0.007 120.614 120.570 0.062 0.000 2.113 331 I HA -0.381 3.792 4.170 0.004 0.000 0.242 331 I C 2.250 178.394 176.117 0.047 0.000 1.057 331 I CA 1.872 63.203 61.300 0.053 0.000 1.314 331 I CB -1.719 36.314 38.000 0.055 0.000 1.022 331 I HN 0.381 nan 8.210 nan 0.000 0.408 332 D N 0.638 121.066 120.400 0.048 0.000 2.077 332 D HA -0.164 4.478 4.640 0.004 0.000 0.193 332 D C 2.310 178.634 176.300 0.040 0.000 0.989 332 D CA 1.247 55.273 54.000 0.042 0.000 0.831 332 D CB -0.416 40.410 40.800 0.042 0.000 0.979 332 D HN 0.250 nan 8.370 nan 0.000 0.449 333 R N 0.622 121.147 120.500 0.040 0.000 2.119 333 R HA -0.157 4.185 4.340 0.004 0.000 0.246 333 R C 2.233 178.556 176.300 0.039 0.000 1.146 333 R CA 1.823 57.946 56.100 0.038 0.000 0.962 333 R CB -0.316 30.005 30.300 0.036 0.000 0.863 333 R HN 0.173 nan 8.270 nan 0.000 0.442 334 A N -0.112 122.731 122.820 0.039 0.000 1.970 334 A HA -0.053 4.270 4.320 0.004 0.000 0.216 334 A C 1.999 179.606 177.584 0.040 0.000 1.170 334 A CA 0.728 52.787 52.037 0.037 0.000 0.645 334 A CB -0.174 18.846 19.000 0.033 0.000 0.816 334 A HN 0.217 nan 8.150 nan 0.000 0.447 335 I N 0.343 120.938 120.570 0.041 0.000 2.353 335 I HA -0.140 4.032 4.170 0.004 0.000 0.248 335 I C 1.358 177.503 176.117 0.046 0.000 1.119 335 I CA 1.387 62.714 61.300 0.046 0.000 1.417 335 I CB -0.200 37.827 38.000 0.045 0.000 1.078 335 I HN 0.241 nan 8.210 nan 0.000 0.421 336 D N -0.054 120.371 120.400 0.041 0.000 2.117 336 D HA -0.177 4.465 4.640 0.004 0.000 0.198 336 D C 1.903 178.229 176.300 0.043 0.000 0.982 336 D CA 0.899 54.922 54.000 0.039 0.000 0.828 336 D CB -0.497 40.324 40.800 0.036 0.000 0.967 336 D HN 0.273 nan 8.370 nan 0.000 0.464 337 N N 0.597 119.324 118.700 0.045 0.000 2.061 337 N HA -0.135 4.607 4.740 0.004 0.000 0.193 337 N C 1.656 177.199 175.510 0.054 0.000 1.030 337 N CA 0.689 53.769 53.050 0.050 0.000 0.856 337 N CB -0.256 38.260 38.487 0.048 0.000 1.023 337 N HN 0.058 nan 8.380 nan 0.000 0.424 338 L N 0.202 121.457 121.223 0.054 0.000 2.156 338 L HA 0.028 4.370 4.340 0.004 0.000 0.208 338 L C 1.993 178.900 176.870 0.063 0.000 1.095 338 L CA 1.059 55.935 54.840 0.060 0.000 0.770 338 L CB -1.202 40.895 42.059 0.063 0.000 0.914 338 L HN 0.180 nan 8.230 nan 0.000 0.439 339 S N -0.093 115.641 115.700 0.056 0.000 2.402 339 S HA -0.066 4.406 4.470 0.004 0.000 0.229 339 S C 2.028 176.653 174.600 0.042 0.000 1.021 339 S CA 0.908 59.135 58.200 0.045 0.000 0.974 339 S CB -0.341 62.878 63.200 0.032 0.000 0.800 339 S HN 0.560 nan 8.310 nan 0.000 0.484 340 G N 2.828 111.657 108.800 0.049 0.000 2.433 340 G HA2 -0.195 3.767 3.960 0.004 0.000 0.216 340 G HA3 -0.195 3.767 3.960 0.004 0.000 0.216 340 G C 1.482 176.421 174.900 0.066 0.000 1.186 340 G CA 0.673 45.806 45.100 0.054 0.000 0.779 340 G HN 0.308 nan 8.290 nan 0.000 0.543 341 K N 0.729 121.171 120.400 0.071 0.000 2.009 341 K HA 0.022 4.344 4.320 0.004 0.000 0.210 341 K C 2.525 179.176 176.600 0.086 0.000 1.049 341 K CA 0.632 56.967 56.287 0.079 0.000 0.929 341 K CB -1.170 31.375 32.500 0.074 0.000 0.714 341 K HN 0.355 nan 8.250 nan 0.000 0.440 342 L N 0.721 121.992 121.223 0.079 0.000 2.051 342 L HA -0.228 4.114 4.340 0.004 0.000 0.214 342 L C 2.498 179.432 176.870 0.107 0.000 1.076 342 L CA 1.040 55.932 54.840 0.087 0.000 0.758 342 L CB -0.512 41.586 42.059 0.064 0.000 0.890 342 L HN 0.154 nan 8.230 nan 0.000 0.433 343 L N -0.077 121.195 121.223 0.083 0.000 2.044 343 L HA -0.152 4.190 4.340 0.004 0.000 0.205 343 L C 2.498 179.463 176.870 0.158 0.000 1.075 343 L CA 1.717 56.618 54.840 0.102 0.000 0.747 343 L CB -0.765 41.326 42.059 0.053 0.000 0.903 343 L HN 0.336 nan 8.230 nan 0.000 0.435 344 E N -0.204 120.067 120.200 0.118 0.000 2.070 344 E HA -0.276 4.076 4.350 0.004 0.000 0.197 344 E C 1.893 178.565 176.600 0.119 0.000 1.004 344 E CA 1.750 58.217 56.400 0.112 0.000 0.805 344 E CB -0.014 29.744 29.700 0.097 0.000 0.744 344 E HN 0.589 nan 8.360 nan 0.000 0.451 345 E N 0.168 120.441 120.200 0.123 0.000 2.051 345 E HA -0.186 4.167 4.350 0.004 0.000 0.192 345 E C 1.901 178.573 176.600 0.121 0.000 0.991 345 E CA 0.854 57.317 56.400 0.105 0.000 0.799 345 E CB -0.265 29.493 29.700 0.097 0.000 0.748 345 E HN 0.194 nan 8.360 nan 0.000 0.449 346 F N 1.835 121.802 119.950 0.028 0.000 2.043 346 F HA -0.292 4.237 4.527 0.004 0.000 0.297 346 F C 2.131 177.948 175.800 0.028 0.000 1.118 346 F CA 1.716 59.731 58.000 0.026 0.000 1.202 346 F CB -0.189 38.826 39.000 0.024 0.000 0.965 346 F HN -0.091 nan 8.300 nan 0.000 0.482 347 I N -0.488 120.172 120.570 0.149 0.000 2.118 347 I HA -0.361 3.811 4.170 0.004 0.000 0.241 347 I C 2.310 178.406 176.117 -0.036 0.000 1.070 347 I CA 1.500 62.823 61.300 0.038 0.000 1.327 347 I CB -0.888 37.181 38.000 0.116 0.000 1.034 347 I HN 0.079 nan 8.210 nan 0.000 0.405 348 V N 0.483 120.402 119.914 0.008 0.000 2.219 348 V HA -0.294 3.829 4.120 0.004 0.000 0.248 348 V C 2.437 178.507 176.094 -0.040 0.000 1.053 348 V CA 1.999 64.301 62.300 0.004 0.000 1.009 348 V CB -0.502 31.340 31.823 0.032 0.000 0.636 348 V HN 0.244 nan 8.190 nan 0.000 0.445 349 V N -0.141 119.731 119.914 -0.069 0.000 2.392 349 V HA -0.294 3.828 4.120 0.004 0.000 0.249 349 V C 2.631 178.633 176.094 -0.152 0.000 1.059 349 V CA 2.074 64.312 62.300 -0.104 0.000 1.051 349 V CB -0.989 30.776 31.823 -0.098 0.000 0.658 349 V HN 0.595 nan 8.190 nan 0.000 0.455 350 A N -0.510 122.159 122.820 -0.252 0.000 1.851 350 A HA -0.205 4.117 4.320 0.004 0.000 0.216 350 A C 2.383 179.901 177.584 -0.111 0.000 1.195 350 A CA 2.309 54.184 52.037 -0.271 0.000 0.622 350 A CB -0.890 17.837 19.000 -0.454 0.000 0.831 350 A HN 0.323 nan 8.150 nan 0.000 0.444 351 V N -0.341 119.533 119.914 -0.067 0.000 2.490 351 V HA -0.222 3.900 4.120 0.004 0.000 0.250 351 V C 2.580 178.707 176.094 0.054 0.000 1.061 351 V CA 1.917 64.222 62.300 0.008 0.000 1.064 351 V CB -0.500 31.336 31.823 0.022 0.000 0.670 351 V HN 0.389 nan 8.190 nan 0.000 0.461 352 V N -1.369 118.560 119.914 0.024 0.000 2.270 352 V HA -0.272 3.850 4.120 0.004 0.000 0.245 352 V C 2.497 178.619 176.094 0.047 0.000 1.043 352 V CA 2.249 64.577 62.300 0.047 0.000 1.014 352 V CB -0.685 31.107 31.823 -0.052 0.000 0.645 352 V HN 0.628 nan 8.190 nan 0.000 0.447 353 C N 0.291 119.569 119.300 -0.038 0.000 2.413 353 C HA -0.113 4.350 4.460 0.004 0.000 0.276 353 C C 3.103 178.151 174.990 0.096 0.000 1.248 353 C CA 0.792 59.797 59.018 -0.021 0.000 1.742 353 C CB -1.372 26.331 27.740 -0.062 0.000 2.017 353 C HN 0.643 nan 8.230 nan 0.000 0.481 354 A N 0.372 123.246 122.820 0.089 0.000 1.883 354 A HA -0.133 4.190 4.320 0.004 0.000 0.217 354 A C 2.131 179.860 177.584 0.241 0.000 1.186 354 A CA 1.573 53.690 52.037 0.134 0.000 0.624 354 A CB -0.676 18.374 19.000 0.082 0.000 0.822 354 A HN 0.597 nan 8.150 nan 0.000 0.444 355 L N -2.059 119.328 121.223 0.272 0.000 1.970 355 L HA -0.218 4.124 4.340 0.004 0.000 0.212 355 L C 2.591 179.709 176.870 0.413 0.000 1.071 355 L CA 1.771 56.828 54.840 0.361 0.000 0.751 355 L CB -0.747 41.505 42.059 0.320 0.000 0.889 355 L HN 0.373 nan 8.230 nan 0.000 0.432 356 F N -0.329 119.691 119.950 0.115 0.000 2.126 356 F HA -0.249 4.280 4.527 0.004 0.000 0.299 356 F C 2.224 178.059 175.800 0.058 0.000 1.096 356 F CA 1.283 59.308 58.000 0.041 0.000 1.255 356 F CB -0.549 38.456 39.000 0.008 0.000 0.997 356 F HN -0.013 nan 8.300 nan 0.000 0.479 357 L N -2.811 118.598 121.223 0.311 0.000 2.240 357 L HA -0.104 4.239 4.340 0.004 0.000 0.211 357 L C 0.602 177.728 176.870 0.425 0.000 1.106 357 L CA 0.509 55.502 54.840 0.255 0.000 0.793 357 L CB -1.193 40.961 42.059 0.158 0.000 0.927 357 L HN 0.343 nan 8.230 nan 0.000 0.446 358 W N -1.213 120.179 121.300 0.154 0.000 2.929 358 W HA -0.317 4.346 4.660 0.004 0.000 0.272 358 W C 0.756 177.392 176.519 0.195 0.000 1.040 358 W CA 0.952 58.378 57.345 0.136 0.000 0.569 358 W CB -1.853 27.664 29.460 0.094 0.000 2.058 358 W HN 0.213 nan 8.180 nan 0.000 1.477 359 H N -0.203 119.055 119.070 0.314 0.000 2.595 359 H HA 0.459 5.018 4.556 0.004 0.000 0.313 359 H C 0.990 176.430 175.328 0.188 0.000 1.023 359 H CA 0.115 56.315 56.048 0.253 0.000 1.218 359 H CB 1.210 31.204 29.762 0.386 0.000 1.403 359 H HN -0.185 nan 8.280 nan 0.000 0.477 360 V N 5.807 125.964 119.914 0.404 0.000 2.287 360 V HA -0.276 3.847 4.120 0.004 0.000 0.248 360 V C 2.381 178.519 176.094 0.074 0.000 1.053 360 V CA 2.133 64.541 62.300 0.180 0.000 1.027 360 V CB -0.224 31.676 31.823 0.129 0.000 0.646 360 V HN 0.715 nan 8.190 nan 0.000 0.447 361 R N -0.254 120.234 120.500 -0.020 0.000 2.094 361 R HA -0.171 4.171 4.340 0.004 0.000 0.239 361 R C 2.534 178.814 176.300 -0.034 0.000 1.137 361 R CA 1.960 58.013 56.100 -0.078 0.000 0.943 361 R CB -0.645 29.572 30.300 -0.138 0.000 0.850 361 R HN 0.406 nan 8.270 nan 0.000 0.433 362 S N 0.234 115.821 115.700 -0.189 0.000 2.406 362 S HA -0.024 4.448 4.470 0.004 0.000 0.228 362 S C 1.978 176.582 174.600 0.006 0.000 1.020 362 S CA 0.850 59.038 58.200 -0.020 0.000 0.965 362 S CB -0.002 63.215 63.200 0.027 0.000 0.798 362 S HN 0.473 nan 8.310 nan 0.000 0.488 363 A N 1.647 124.485 122.820 0.030 0.000 1.978 363 A HA -0.087 4.235 4.320 0.004 0.000 0.220 363 A C 2.089 179.687 177.584 0.023 0.000 1.170 363 A CA 1.633 53.696 52.037 0.043 0.000 0.636 363 A CB -0.567 18.484 19.000 0.085 0.000 0.810 363 A HN 0.554 nan 8.150 nan 0.000 0.448 364 L N -2.453 118.800 121.223 0.049 0.000 2.249 364 L HA 0.147 4.489 4.340 0.004 0.000 0.207 364 L C 1.951 178.889 176.870 0.113 0.000 1.090 364 L CA 1.248 56.132 54.840 0.073 0.000 0.802 364 L CB -1.016 41.101 42.059 0.097 0.000 0.947 364 L HN -0.032 nan 8.230 nan 0.000 0.453 365 V N 1.296 121.287 119.914 0.129 0.000 2.332 365 V HA -0.294 3.828 4.120 0.004 0.000 0.248 365 V C 3.080 179.206 176.094 0.054 0.000 1.055 365 V CA 1.890 64.258 62.300 0.114 0.000 1.038 365 V CB -1.423 30.454 31.823 0.090 0.000 0.651 365 V HN 0.656 nan 8.190 nan 0.000 0.450 366 A N -0.115 122.721 122.820 0.026 0.000 1.877 366 A HA -0.197 4.126 4.320 0.004 0.000 0.216 366 A C 2.196 179.782 177.584 0.004 0.000 1.186 366 A CA 2.022 54.059 52.037 0.000 0.000 0.620 366 A CB -0.558 18.426 19.000 -0.027 0.000 0.822 366 A HN 0.484 nan 8.150 nan 0.000 0.443 367 I N 0.175 120.739 120.570 -0.009 0.000 2.118 367 I HA -0.271 3.901 4.170 0.004 0.000 0.241 367 I C 1.934 178.130 176.117 0.131 0.000 1.070 367 I CA 1.206 62.484 61.300 -0.036 0.000 1.327 367 I CB -0.301 37.654 38.000 -0.074 0.000 1.034 367 I HN 0.247 nan 8.210 nan 0.000 0.405 368 I N 0.291 120.951 120.570 0.150 0.000 2.800 368 I HA -0.233 3.939 4.170 0.004 0.000 0.266 368 I C 2.641 178.832 176.117 0.123 0.000 1.249 368 I CA 1.155 62.557 61.300 0.169 0.000 1.458 368 I CB -1.594 36.498 38.000 0.153 0.000 1.093 368 I HN 0.235 nan 8.210 nan 0.000 0.466 369 S N 0.561 116.319 115.700 0.096 0.000 2.442 369 S HA -0.077 4.396 4.470 0.004 0.000 0.236 369 S C 1.949 176.609 174.600 0.100 0.000 1.007 369 S CA 0.870 59.114 58.200 0.072 0.000 0.965 369 S CB 0.089 63.318 63.200 0.049 0.000 0.773 369 S HN 0.431 nan 8.310 nan 0.000 0.504 370 L N 0.901 122.223 121.223 0.164 0.000 2.084 370 L HA 0.086 4.429 4.340 0.004 0.000 0.202 370 L C -0.656 176.290 176.870 0.125 0.000 1.074 370 L CA 0.769 55.726 54.840 0.195 0.000 0.757 370 L CB -1.877 40.410 42.059 0.380 0.000 0.918 370 L HN 0.177 nan 8.230 nan 0.000 0.444 371 P HA -0.184 nan 4.420 nan 0.000 0.216 371 P C 1.753 179.054 177.300 0.002 0.000 1.153 371 P CA 1.389 64.485 63.100 -0.007 0.000 0.858 371 P CB 0.060 31.759 31.700 -0.002 0.000 0.789 372 L N -1.228 120.015 121.223 0.032 0.000 2.217 372 L HA 0.035 4.377 4.340 0.004 0.000 0.211 372 L C 2.561 179.453 176.870 0.036 0.000 1.107 372 L CA 1.832 56.685 54.840 0.022 0.000 0.783 372 L CB -1.860 40.212 42.059 0.022 0.000 0.919 372 L HN -0.006 nan 8.230 nan 0.000 0.442 373 G N -0.326 108.509 108.800 0.059 0.000 2.514 373 G HA2 -0.260 3.702 3.960 0.004 0.000 0.217 373 G HA3 -0.260 3.702 3.960 0.004 0.000 0.217 373 G C 1.682 176.637 174.900 0.092 0.000 1.198 373 G CA 0.980 46.128 45.100 0.079 0.000 0.780 373 G HN 0.283 nan 8.290 nan 0.000 0.565 374 L N -0.049 121.222 121.223 0.079 0.000 1.971 374 L HA -0.198 4.144 4.340 0.004 0.000 0.215 374 L C 3.208 180.136 176.870 0.097 0.000 1.072 374 L CA 1.515 56.418 54.840 0.105 0.000 0.758 374 L CB -0.664 41.384 42.059 -0.018 0.000 0.889 374 L HN 0.299 nan 8.230 nan 0.000 0.433 375 C N -0.285 119.009 119.300 -0.009 0.000 2.385 375 C HA -0.228 4.235 4.460 0.004 0.000 0.275 375 C C 2.664 177.624 174.990 -0.050 0.000 1.207 375 C CA 0.677 59.659 59.018 -0.060 0.000 1.760 375 C CB -0.848 26.850 27.740 -0.071 0.000 2.051 375 C HN 0.436 nan 8.230 nan 0.000 0.467 376 I N 1.498 122.066 120.570 -0.003 0.000 2.252 376 I HA -0.117 4.056 4.170 0.004 0.000 0.245 376 I C 2.637 178.767 176.117 0.021 0.000 1.102 376 I CA 1.693 62.994 61.300 0.002 0.000 1.385 376 I CB -0.882 37.142 38.000 0.040 0.000 1.064 376 I HN 0.256 nan 8.210 nan 0.000 0.414 377 A N -0.209 122.668 122.820 0.095 0.000 1.883 377 A HA -0.237 4.085 4.320 0.004 0.000 0.217 377 A C 2.294 179.905 177.584 0.045 0.000 1.186 377 A CA 1.720 53.833 52.037 0.126 0.000 0.624 377 A CB -1.238 17.887 19.000 0.209 0.000 0.822 377 A HN 0.379 nan 8.150 nan 0.000 0.444 378 F N -0.375 119.521 119.950 -0.090 0.000 2.325 378 F HA -0.021 4.509 4.527 0.004 0.000 0.299 378 F C 2.053 177.713 175.800 -0.235 0.000 1.090 378 F CA 0.935 58.853 58.000 -0.138 0.000 1.392 378 F CB -0.092 38.816 39.000 -0.153 0.000 1.053 378 F HN 0.141 nan 8.300 nan 0.000 0.521 379 I N -1.074 119.409 120.570 -0.145 0.000 2.286 379 I HA -0.243 3.929 4.170 0.004 0.000 0.245 379 I C 2.139 178.190 176.117 -0.110 0.000 1.104 379 I CA 0.744 61.860 61.300 -0.307 0.000 1.397 379 I CB -0.424 37.367 38.000 -0.349 0.000 1.072 379 I HN -0.120 nan 8.210 nan 0.000 0.417 380 V N 0.574 120.425 119.914 -0.106 0.000 2.343 380 V HA -0.312 3.810 4.120 0.004 0.000 0.247 380 V C 2.481 178.439 176.094 -0.227 0.000 1.051 380 V CA 1.799 63.980 62.300 -0.197 0.000 1.036 380 V CB -0.603 30.776 31.823 -0.740 0.000 0.654 380 V HN 0.376 nan 8.190 nan 0.000 0.451 381 M N -0.327 119.123 119.600 -0.251 0.000 2.073 381 M HA -0.261 4.222 4.480 0.004 0.000 0.258 381 M C 2.354 178.550 176.300 -0.174 0.000 1.070 381 M CA 2.560 57.734 55.300 -0.210 0.000 1.103 381 M CB -0.850 31.563 32.600 -0.312 0.000 1.321 381 M HN 0.492 nan 8.290 nan 0.000 0.405 382 H N 0.065 118.956 119.070 -0.298 0.000 2.357 382 H HA -0.196 4.363 4.556 0.004 0.000 0.296 382 H C 1.581 176.730 175.328 -0.299 0.000 1.108 382 H CA 2.311 58.154 56.048 -0.342 0.000 1.273 382 H CB -0.199 29.257 29.762 -0.510 0.000 1.367 382 H HN 0.333 nan 8.280 nan 0.000 0.498 383 F N -0.214 119.698 119.950 -0.062 0.000 2.118 383 F HA -0.089 4.440 4.527 0.004 0.000 0.293 383 F C 2.967 178.679 175.800 -0.146 0.000 1.102 383 F CA 0.962 58.908 58.000 -0.090 0.000 1.247 383 F CB -0.377 38.616 39.000 -0.011 0.000 1.017 383 F HN 0.234 nan 8.300 nan 0.000 0.475 384 Q N 0.874 120.683 119.800 0.015 0.000 2.181 384 Q HA -0.043 4.300 4.340 0.004 0.000 0.205 384 Q C 1.144 177.074 176.000 -0.116 0.000 0.980 384 Q CA 1.574 57.325 55.803 -0.086 0.000 0.862 384 Q CB -0.087 28.539 28.738 -0.187 0.000 0.905 384 Q HN 0.442 nan 8.270 nan 0.000 0.429 385 G N -0.102 108.615 108.800 -0.139 0.000 2.226 385 G HA2 -0.157 3.805 3.960 0.004 0.000 0.176 385 G HA3 -0.157 3.805 3.960 0.004 0.000 0.176 385 G C -0.609 174.217 174.900 -0.124 0.000 1.042 385 G CA -0.003 45.012 45.100 -0.141 0.000 0.732 385 G HN 0.229 nan 8.290 nan 0.000 0.494 386 L N 0.736 121.878 121.223 -0.136 0.000 2.334 386 L HA 0.704 5.046 4.340 0.004 0.000 0.275 386 L C 0.417 177.215 176.870 -0.121 0.000 1.036 386 L CA -1.072 53.704 54.840 -0.106 0.000 0.807 386 L CB 1.548 43.554 42.059 -0.088 0.000 1.231 386 L HN 0.488 nan 8.230 nan 0.000 0.438 387 N N 1.470 120.116 118.700 -0.090 0.000 2.545 387 N HA 0.643 5.386 4.740 0.004 0.000 0.289 387 N C -0.894 174.562 175.510 -0.091 0.000 1.279 387 N CA -0.796 52.200 53.050 -0.090 0.000 0.824 387 N CB 1.231 39.692 38.487 -0.044 0.000 1.395 387 N HN 0.551 nan 8.380 nan 0.000 0.526 388 A N -0.057 122.730 122.820 -0.054 0.000 2.425 388 A HA 0.519 4.841 4.320 0.004 0.000 0.249 388 A C -0.176 177.417 177.584 0.014 0.000 1.084 388 A CA -0.109 51.925 52.037 -0.006 0.000 0.781 388 A CB -1.067 17.991 19.000 0.098 0.000 1.019 388 A HN 1.066 nan 8.150 nan 0.000 0.490 389 N N -0.114 118.600 118.700 0.023 0.000 4.059 389 N HA 0.145 4.888 4.740 0.004 0.000 0.212 389 N C 0.209 175.735 175.510 0.026 0.000 1.159 389 N CA -0.277 52.787 53.050 0.023 0.000 0.967 389 N CB 0.371 38.865 38.487 0.012 0.000 1.589 389 N HN 0.787 nan 8.380 nan 0.000 0.549 390 I N -0.514 120.071 120.570 0.024 0.000 2.227 390 I HA -0.313 3.859 4.170 0.004 0.000 0.250 390 I C 1.745 177.873 176.117 0.019 0.000 1.087 390 I CA 1.896 63.210 61.300 0.024 0.000 1.352 390 I CB -0.226 37.782 38.000 0.013 0.000 1.043 390 I HN 0.795 nan 8.210 nan 0.000 0.425 391 M N 1.097 120.700 119.600 0.004 0.000 2.160 391 M HA -0.074 4.408 4.480 0.004 0.000 0.264 391 M C 2.538 178.860 176.300 0.037 0.000 1.073 391 M CA 2.137 57.436 55.300 -0.001 0.000 1.142 391 M CB -0.694 31.879 32.600 -0.046 0.000 1.358 391 M HN 0.620 nan 8.290 nan 0.000 0.422 392 S N -0.579 115.145 115.700 0.040 0.000 2.395 392 S HA -0.036 4.436 4.470 0.004 0.000 0.225 392 S C 2.001 176.630 174.600 0.049 0.000 1.027 392 S CA 0.777 59.010 58.200 0.055 0.000 0.965 392 S CB -0.955 62.265 63.200 0.033 0.000 0.812 392 S HN 0.539 nan 8.310 nan 0.000 0.482 393 L N 1.353 122.605 121.223 0.047 0.000 2.191 393 L HA 0.006 4.349 4.340 0.004 0.000 0.212 393 L C 2.842 179.758 176.870 0.076 0.000 1.103 393 L CA 1.119 56.008 54.840 0.080 0.000 0.769 393 L CB -1.027 41.087 42.059 0.092 0.000 0.908 393 L HN 0.581 nan 8.230 nan 0.000 0.438 394 G N -0.526 108.310 108.800 0.060 0.000 2.408 394 G HA2 -0.162 3.800 3.960 0.004 0.000 0.217 394 G HA3 -0.162 3.800 3.960 0.004 0.000 0.217 394 G C 1.574 176.504 174.900 0.050 0.000 1.150 394 G CA 0.615 45.748 45.100 0.054 0.000 0.776 394 G HN 0.470 nan 8.290 nan 0.000 0.542 395 G N 0.971 109.807 108.800 0.060 0.000 2.442 395 G HA2 -0.177 3.785 3.960 0.004 0.000 0.219 395 G HA3 -0.177 3.785 3.960 0.004 0.000 0.219 395 G C 1.739 176.666 174.900 0.044 0.000 1.141 395 G CA 0.748 45.879 45.100 0.050 0.000 0.763 395 G HN 0.442 nan 8.290 nan 0.000 0.554 396 I N 1.107 121.722 120.570 0.074 0.000 2.233 396 I HA -0.111 4.061 4.170 0.004 0.000 0.243 396 I C 3.274 179.431 176.117 0.068 0.000 1.093 396 I CA 0.853 62.207 61.300 0.090 0.000 1.380 396 I CB -0.198 37.883 38.000 0.136 0.000 1.067 396 I HN 0.242 nan 8.210 nan 0.000 0.413 397 A N 0.711 123.569 122.820 0.063 0.000 1.986 397 A HA -0.203 4.119 4.320 0.004 0.000 0.220 397 A C 2.241 179.838 177.584 0.023 0.000 1.171 397 A CA 1.655 53.723 52.037 0.052 0.000 0.640 397 A CB -0.754 18.278 19.000 0.053 0.000 0.811 397 A HN 0.437 nan 8.150 nan 0.000 0.451 398 I N -1.057 119.511 120.570 -0.003 0.000 2.480 398 I HA -0.113 4.060 4.170 0.004 0.000 0.251 398 I C 2.771 178.853 176.117 -0.058 0.000 1.124 398 I CA 0.831 62.102 61.300 -0.049 0.000 1.444 398 I CB -0.104 37.838 38.000 -0.098 0.000 1.098 398 I HN 0.317 nan 8.210 nan 0.000 0.428 399 A N -0.056 122.742 122.820 -0.037 0.000 2.066 399 A HA -0.112 4.210 4.320 0.004 0.000 0.218 399 A C 2.404 179.987 177.584 -0.002 0.000 1.157 399 A CA 1.107 53.126 52.037 -0.031 0.000 0.670 399 A CB -0.763 18.235 19.000 -0.003 0.000 0.804 399 A HN 0.269 nan 8.150 nan 0.000 0.453 400 V N 0.375 120.302 119.914 0.021 0.000 2.233 400 V HA -0.209 3.913 4.120 0.004 0.000 0.247 400 V C 2.491 178.594 176.094 0.016 0.000 1.050 400 V CA 2.804 65.128 62.300 0.041 0.000 1.010 400 V CB -1.136 30.728 31.823 0.070 0.000 0.637 400 V HN 0.510 nan 8.190 nan 0.000 0.444 401 G N -1.138 107.660 108.800 -0.003 0.000 2.469 401 G HA2 -0.260 3.703 3.960 0.004 0.000 0.220 401 G HA3 -0.260 3.703 3.960 0.004 0.000 0.220 401 G C 1.743 176.624 174.900 -0.032 0.000 1.136 401 G CA 1.244 46.329 45.100 -0.024 0.000 0.759 401 G HN 0.849 nan 8.290 nan 0.000 0.562 402 A N 1.233 124.033 122.820 -0.034 0.000 1.897 402 A HA 0.050 4.373 4.320 0.004 0.000 0.215 402 A C 2.443 180.014 177.584 -0.022 0.000 1.181 402 A CA 1.979 53.994 52.037 -0.036 0.000 0.620 402 A CB -0.386 18.583 19.000 -0.052 0.000 0.821 402 A HN 0.568 nan 8.150 nan 0.000 0.443 403 M N -1.695 117.901 119.600 -0.007 0.000 2.349 403 M HA 0.108 4.590 4.480 0.004 0.000 0.266 403 M C 1.792 178.099 176.300 0.010 0.000 1.076 403 M CA 1.559 56.864 55.300 0.009 0.000 1.126 403 M CB -0.378 32.239 32.600 0.030 0.000 1.392 403 M HN 0.053 nan 8.290 nan 0.000 0.440 404 V N 2.594 122.509 119.914 0.002 0.000 2.488 404 V HA -0.200 3.922 4.120 0.004 0.000 0.246 404 V C 2.210 178.289 176.094 -0.026 0.000 1.046 404 V CA 2.518 64.813 62.300 -0.008 0.000 1.053 404 V CB -0.485 31.326 31.823 -0.021 0.000 0.679 404 V HN 0.717 nan 8.190 nan 0.000 0.458 405 D N 0.794 121.173 120.400 -0.034 0.000 2.264 405 D HA -0.080 4.562 4.640 0.004 0.000 0.208 405 D C 1.638 177.921 176.300 -0.028 0.000 0.966 405 D CA 1.560 55.532 54.000 -0.045 0.000 0.864 405 D CB -0.015 40.755 40.800 -0.048 0.000 0.933 405 D HN 0.496 nan 8.370 nan 0.000 0.499 406 A N -0.171 122.640 122.820 -0.015 0.000 2.195 406 A HA 0.557 4.880 4.320 0.004 0.000 0.210 406 A C 2.200 179.787 177.584 0.006 0.000 1.165 406 A CA 0.754 52.789 52.037 -0.003 0.000 0.806 406 A CB -0.045 18.956 19.000 0.001 0.000 0.847 406 A HN 0.318 nan 8.150 nan 0.000 0.482 407 A N 0.648 123.469 122.820 0.002 0.000 1.943 407 A HA 0.124 4.446 4.320 0.004 0.000 0.213 407 A C 2.027 179.607 177.584 -0.006 0.000 1.181 407 A CA 1.013 53.052 52.037 0.004 0.000 0.653 407 A CB -0.565 18.438 19.000 0.006 0.000 0.833 407 A HN 0.772 nan 8.150 nan 0.000 0.451 408 I N -2.302 118.256 120.570 -0.019 0.000 2.353 408 I HA -0.085 4.087 4.170 0.004 0.000 0.248 408 I C 1.809 177.913 176.117 -0.022 0.000 1.119 408 I CA 1.204 62.485 61.300 -0.032 0.000 1.417 408 I CB -0.776 37.191 38.000 -0.056 0.000 1.078 408 I HN -0.001 nan 8.210 nan 0.000 0.421 409 V N 1.685 121.592 119.914 -0.011 0.000 2.453 409 V HA -0.296 3.826 4.120 0.004 0.000 0.252 409 V C 2.686 178.793 176.094 0.022 0.000 1.068 409 V CA 2.375 64.680 62.300 0.009 0.000 1.070 409 V CB -0.776 31.053 31.823 0.010 0.000 0.664 409 V HN 0.479 nan 8.190 nan 0.000 0.461 410 M N -1.166 118.444 119.600 0.016 0.000 2.236 410 M HA -0.044 4.439 4.480 0.004 0.000 0.266 410 M C 2.150 178.472 176.300 0.036 0.000 1.070 410 M CA 1.834 57.150 55.300 0.026 0.000 1.137 410 M CB -0.318 32.293 32.600 0.019 0.000 1.378 410 M HN 0.262 nan 8.290 nan 0.000 0.426 411 I N -0.142 120.434 120.570 0.011 0.000 2.286 411 I HA -0.224 3.948 4.170 0.004 0.000 0.245 411 I C 2.633 178.699 176.117 -0.085 0.000 1.104 411 I CA 1.022 62.318 61.300 -0.007 0.000 1.397 411 I CB -0.396 37.579 38.000 -0.041 0.000 1.072 411 I HN 0.295 nan 8.210 nan 0.000 0.417 412 E N 1.108 121.254 120.200 -0.090 0.000 2.274 412 E HA -0.226 4.127 4.350 0.004 0.000 0.194 412 E C 1.610 178.237 176.600 0.046 0.000 0.996 412 E CA 1.143 57.486 56.400 -0.095 0.000 0.840 412 E CB -0.097 29.585 29.700 -0.028 0.000 0.772 412 E HN 0.548 nan 8.360 nan 0.000 0.491 413 N N -0.063 118.684 118.700 0.078 0.000 2.305 413 N HA -0.026 4.717 4.740 0.004 0.000 0.179 413 N C 1.866 177.468 175.510 0.154 0.000 1.019 413 N CA 1.336 54.457 53.050 0.118 0.000 0.869 413 N CB -0.140 38.410 38.487 0.105 0.000 1.000 413 N HN 0.076 nan 8.380 nan 0.000 0.431 414 A N 0.089 123.008 122.820 0.164 0.000 1.940 414 A HA -0.201 4.121 4.320 0.004 0.000 0.219 414 A C 1.801 179.533 177.584 0.248 0.000 1.176 414 A CA 1.689 53.838 52.037 0.187 0.000 0.631 414 A CB -1.246 17.865 19.000 0.185 0.000 0.814 414 A HN 0.505 nan 8.150 nan 0.000 0.446 415 H N -0.782 118.357 119.070 0.116 0.000 2.390 415 H HA -0.104 4.454 4.556 0.004 0.000 0.298 415 H C 2.003 177.403 175.328 0.120 0.000 1.106 415 H CA 1.960 58.088 56.048 0.134 0.000 1.297 415 H CB 0.000 29.847 29.762 0.142 0.000 1.375 415 H HN 0.384 nan 8.280 nan 0.000 0.509 416 K N -0.041 120.499 120.400 0.234 0.000 2.243 416 K HA 0.044 4.367 4.320 0.004 0.000 0.201 416 K C 1.710 178.402 176.600 0.153 0.000 1.051 416 K CA 0.506 56.892 56.287 0.165 0.000 0.970 416 K CB 0.383 32.964 32.500 0.134 0.000 0.755 416 K HN -0.050 nan 8.250 nan 0.000 0.465 417 R N -0.202 120.391 120.500 0.154 0.000 2.299 417 R HA 0.228 4.570 4.340 0.004 0.000 0.197 417 R C 1.333 177.728 176.300 0.159 0.000 0.971 417 R CA 0.473 56.664 56.100 0.151 0.000 1.030 417 R CB -0.038 30.339 30.300 0.127 0.000 0.932 417 R HN 0.178 nan 8.270 nan 0.000 0.477 418 L N -1.031 120.278 121.223 0.145 0.000 2.556 418 L HA 0.158 4.501 4.340 0.004 0.000 0.226 418 L C 1.723 178.686 176.870 0.156 0.000 1.089 418 L CA 0.337 55.253 54.840 0.128 0.000 0.864 418 L CB 0.037 42.135 42.059 0.065 0.000 1.067 418 L HN 0.100 nan 8.230 nan 0.000 0.477 419 E N 1.316 121.606 120.200 0.150 0.000 2.152 419 E HA -0.227 4.125 4.350 0.004 0.000 0.192 419 E C 1.935 178.636 176.600 0.169 0.000 0.983 419 E CA 1.308 57.795 56.400 0.144 0.000 0.818 419 E CB 0.223 29.998 29.700 0.124 0.000 0.758 419 E HN 0.583 nan 8.360 nan 0.000 0.467 420 E N -0.027 120.283 120.200 0.184 0.000 2.028 420 E HA -0.220 4.133 4.350 0.004 0.000 0.191 420 E C 2.092 178.833 176.600 0.235 0.000 0.988 420 E CA 0.936 57.451 56.400 0.193 0.000 0.799 420 E CB -1.097 28.715 29.700 0.186 0.000 0.755 420 E HN 0.418 nan 8.360 nan 0.000 0.447 421 W N 2.223 123.562 121.300 0.065 0.000 2.364 421 W HA -0.180 4.482 4.660 0.002 0.000 0.281 421 W C 2.058 178.628 176.519 0.086 0.000 1.219 421 W CA 1.900 59.258 57.345 0.022 0.000 1.220 421 W CB 0.032 29.449 29.460 -0.071 0.000 1.127 421 W HN 0.301 nan 8.180 nan 0.000 0.556 422 Q N -0.185 119.778 119.800 0.270 0.000 1.967 422 Q HA -0.270 4.072 4.340 0.004 0.000 0.202 422 Q C 2.312 178.390 176.000 0.131 0.000 0.985 422 Q CA 1.670 57.588 55.803 0.191 0.000 0.839 422 Q CB -1.342 27.501 28.738 0.176 0.000 0.906 422 Q HN 0.351 nan 8.270 nan 0.000 0.423 423 H N -0.240 118.863 119.070 0.054 0.000 2.457 423 H HA -0.091 4.467 4.556 0.004 0.000 0.297 423 H C 1.890 177.207 175.328 -0.017 0.000 1.092 423 H CA 1.404 57.464 56.048 0.020 0.000 1.309 423 H CB 0.640 30.419 29.762 0.029 0.000 1.382 423 H HN 0.332 nan 8.280 nan 0.000 0.535 424 Q N -0.413 119.419 119.800 0.054 0.000 2.089 424 Q HA 0.002 4.345 4.340 0.004 0.000 0.195 424 Q C 0.623 176.489 176.000 -0.224 0.000 0.963 424 Q CA 1.013 56.797 55.803 -0.032 0.000 0.834 424 Q CB 0.087 28.886 28.738 0.101 0.000 0.906 424 Q HN 0.585 nan 8.270 nan 0.000 0.452 425 H N -0.654 118.180 119.070 -0.394 0.000 3.664 425 H HA 0.385 4.943 4.556 0.003 0.000 0.282 425 H C -2.042 173.183 175.328 -0.172 0.000 1.666 425 H CA -1.506 54.314 56.048 -0.379 0.000 1.548 425 H CB -0.379 28.948 29.762 -0.725 0.000 1.247 425 H HN -0.014 nan 8.280 nan 0.000 0.857 426 P HA 0.263 nan 4.420 nan 0.000 0.293 426 P C -0.983 176.379 177.300 0.103 0.000 1.291 426 P CA -0.478 62.655 63.100 0.055 0.000 0.867 426 P CB 1.719 33.452 31.700 0.054 0.000 1.074 427 D N 0.887 121.328 120.400 0.068 0.000 2.193 427 D HA 0.526 5.169 4.640 0.004 0.000 0.249 427 D C 0.772 177.104 176.300 0.054 0.000 1.034 427 D CA 0.316 54.361 54.000 0.076 0.000 0.902 427 D CB 0.969 41.805 40.800 0.060 0.000 1.182 427 D HN 0.476 nan 8.370 nan 0.000 0.436 428 A N 0.865 123.715 122.820 0.051 0.000 3.562 428 A HA -0.089 4.233 4.320 0.004 0.000 0.232 428 A C 0.423 178.025 177.584 0.030 0.000 1.178 428 A CA 0.876 52.933 52.037 0.033 0.000 1.500 428 A CB -2.306 16.709 19.000 0.025 0.000 1.009 428 A HN 0.768 nan 8.150 nan 0.000 0.862 429 T N -1.234 113.348 114.554 0.046 0.000 3.071 429 T HA 0.800 5.152 4.350 0.004 0.000 0.311 429 T C -0.921 173.806 174.700 0.045 0.000 1.042 429 T CA 0.036 62.158 62.100 0.036 0.000 1.028 429 T CB 1.402 70.297 68.868 0.044 0.000 1.068 429 T HN 1.952 nan 8.240 nan 0.000 0.451 430 L N -0.492 120.713 121.223 -0.029 0.000 2.845 430 L HA 0.923 5.265 4.340 0.004 0.000 0.256 430 L C -1.224 175.526 176.870 -0.201 0.000 0.968 430 L CA -0.749 54.023 54.840 -0.115 0.000 0.944 430 L CB 0.708 42.661 42.059 -0.175 0.000 1.494 430 L HN 0.666 nan 8.230 nan 0.000 0.419 431 D N -0.748 119.477 120.400 -0.293 0.000 2.831 431 D HA 0.465 5.108 4.640 0.004 0.000 0.240 431 D C 0.713 176.633 176.300 -0.633 0.000 1.183 431 D CA 0.316 54.105 54.000 -0.352 0.000 1.079 431 D CB 0.974 41.636 40.800 -0.230 0.000 1.262 431 D HN 0.768 nan 8.370 nan 0.000 0.634 432 N N 0.472 118.788 118.700 -0.641 0.000 2.092 432 N HA -0.133 4.610 4.740 0.004 0.000 0.189 432 N C 1.278 176.298 175.510 -0.817 0.000 1.040 432 N CA 1.325 53.718 53.050 -1.096 0.000 0.845 432 N CB -0.537 37.680 38.487 -0.451 0.000 1.017 432 N HN 0.082 nan 8.380 nan 0.000 0.426 433 K N 0.057 120.229 120.400 -0.380 0.000 2.032 433 K HA -0.122 4.200 4.320 0.004 0.000 0.218 433 K C 2.275 178.710 176.600 -0.276 0.000 1.054 433 K CA 2.073 58.228 56.287 -0.219 0.000 0.941 433 K CB -1.183 31.233 32.500 -0.139 0.000 0.720 433 K HN 0.447 nan 8.250 nan 0.000 0.449 434 T N -0.702 113.618 114.554 -0.391 0.000 2.942 434 T HA -0.040 4.312 4.350 0.004 0.000 0.265 434 T C 1.907 176.245 174.700 -0.605 0.000 1.062 434 T CA 0.995 62.775 62.100 -0.533 0.000 1.139 434 T CB -0.043 68.395 68.868 -0.716 0.000 0.883 434 T HN 0.194 nan 8.240 nan 0.000 0.468 435 R N -1.148 118.963 120.500 -0.649 0.000 2.119 435 R HA 0.056 4.399 4.340 0.004 0.000 0.222 435 R C 1.964 178.169 176.300 -0.159 0.000 1.088 435 R CA 0.961 56.709 56.100 -0.588 0.000 0.984 435 R CB -0.133 29.642 30.300 -0.876 0.000 0.884 435 R HN 0.575 nan 8.270 nan 0.000 0.447 436 W N -0.084 121.119 121.300 -0.162 0.000 2.576 436 W HA -0.016 4.646 4.660 0.004 0.000 0.270 436 W C 2.179 178.637 176.519 -0.102 0.000 1.255 436 W CA -0.445 56.831 57.345 -0.114 0.000 1.314 436 W CB 0.160 29.561 29.460 -0.098 0.000 1.101 436 W HN 0.165 nan 8.180 nan 0.000 0.595 437 Q N 1.320 121.162 119.800 0.070 0.000 2.083 437 Q HA -0.151 4.192 4.340 0.004 0.000 0.198 437 Q C 2.062 178.057 176.000 -0.008 0.000 0.969 437 Q CA 1.805 57.614 55.803 0.010 0.000 0.838 437 Q CB -0.923 27.785 28.738 -0.051 0.000 0.900 437 Q HN 0.175 nan 8.270 nan 0.000 0.436 438 V N 0.132 120.000 119.914 -0.077 0.000 2.626 438 V HA -0.130 3.993 4.120 0.004 0.000 0.252 438 V C 1.842 177.956 176.094 0.033 0.000 1.067 438 V CA 1.076 63.347 62.300 -0.047 0.000 1.081 438 V CB -0.332 31.402 31.823 -0.148 0.000 0.686 438 V HN 0.372 nan 8.190 nan 0.000 0.468 439 I N 0.243 120.861 120.570 0.080 0.000 2.277 439 I HA -0.114 4.059 4.170 0.004 0.000 0.243 439 I C 2.553 178.710 176.117 0.066 0.000 1.094 439 I CA 2.050 63.414 61.300 0.107 0.000 1.393 439 I CB -1.709 36.398 38.000 0.177 0.000 1.078 439 I HN 0.303 nan 8.210 nan 0.000 0.417 440 T N 0.577 115.168 114.554 0.062 0.000 2.720 440 T HA -0.216 4.137 4.350 0.004 0.000 0.268 440 T C 1.730 176.447 174.700 0.027 0.000 1.037 440 T CA 1.730 63.850 62.100 0.033 0.000 1.144 440 T CB -0.265 68.624 68.868 0.034 0.000 0.864 440 T HN 0.365 nan 8.240 nan 0.000 0.444 441 D N 1.197 121.618 120.400 0.035 0.000 2.097 441 D HA -0.087 4.556 4.640 0.004 0.000 0.195 441 D C 2.363 178.687 176.300 0.038 0.000 0.989 441 D CA 1.351 55.373 54.000 0.037 0.000 0.827 441 D CB -0.180 40.648 40.800 0.046 0.000 0.966 441 D HN 0.366 nan 8.370 nan 0.000 0.456 442 A N 0.101 122.950 122.820 0.050 0.000 1.978 442 A HA -0.117 4.206 4.320 0.004 0.000 0.220 442 A C 2.454 180.060 177.584 0.036 0.000 1.170 442 A CA 1.837 53.908 52.037 0.056 0.000 0.636 442 A CB -0.399 18.649 19.000 0.080 0.000 0.810 442 A HN 0.268 nan 8.150 nan 0.000 0.448 443 S N -1.182 114.534 115.700 0.026 0.000 2.470 443 S HA 0.034 4.506 4.470 0.004 0.000 0.225 443 S C 1.603 176.200 174.600 -0.005 0.000 1.006 443 S CA 0.980 59.186 58.200 0.010 0.000 0.934 443 S CB 0.129 63.331 63.200 0.003 0.000 0.778 443 S HN 0.339 nan 8.310 nan 0.000 0.517 444 V N 1.224 121.135 119.914 -0.005 0.000 2.992 444 V HA 0.083 4.205 4.120 0.004 0.000 0.250 444 V C 2.289 178.370 176.094 -0.021 0.000 1.090 444 V CA 0.803 63.094 62.300 -0.016 0.000 1.101 444 V CB -0.234 31.583 31.823 -0.011 0.000 0.743 444 V HN 0.290 nan 8.190 nan 0.000 0.468 445 E N 0.256 120.444 120.200 -0.021 0.000 2.046 445 E HA -0.079 4.273 4.350 0.004 0.000 0.190 445 E C 1.942 178.492 176.600 -0.082 0.000 0.982 445 E CA 1.132 57.507 56.400 -0.043 0.000 0.800 445 E CB 0.030 29.704 29.700 -0.044 0.000 0.756 445 E HN 0.392 nan 8.360 nan 0.000 0.449 446 V N 0.436 120.298 119.914 -0.086 0.000 3.542 446 V HA 0.085 4.208 4.120 0.004 0.000 0.296 446 V C 1.685 177.745 176.094 -0.057 0.000 1.364 446 V CA 0.757 62.985 62.300 -0.120 0.000 1.118 446 V CB 0.510 32.241 31.823 -0.153 0.000 0.972 446 V HN 0.235 nan 8.190 nan 0.000 0.430 447 G N 1.457 110.239 108.800 -0.030 0.000 2.464 447 G HA2 -0.112 3.850 3.960 0.004 0.000 0.214 447 G HA3 -0.112 3.850 3.960 0.004 0.000 0.214 447 G C -0.278 174.641 174.900 0.031 0.000 1.218 447 G CA 0.992 46.091 45.100 -0.003 0.000 0.794 447 G HN 0.489 nan 8.290 nan 0.000 0.542 448 P HA -0.009 nan 4.420 nan 0.000 0.216 448 P C 2.054 179.419 177.300 0.108 0.000 1.150 448 P CA 1.869 65.010 63.100 0.067 0.000 0.837 448 P CB -0.125 31.579 31.700 0.008 0.000 0.786 449 A N -0.868 121.968 122.820 0.027 0.000 2.015 449 A HA -0.117 4.205 4.320 0.004 0.000 0.219 449 A C 2.139 179.729 177.584 0.009 0.000 1.163 449 A CA 1.212 53.249 52.037 -0.001 0.000 0.646 449 A CB -1.491 17.482 19.000 -0.045 0.000 0.806 449 A HN 0.135 nan 8.150 nan 0.000 0.448 450 L N -2.302 118.938 121.223 0.028 0.000 2.131 450 L HA -0.048 4.294 4.340 0.004 0.000 0.206 450 L C 2.417 179.324 176.870 0.060 0.000 1.087 450 L CA 1.181 56.039 54.840 0.029 0.000 0.767 450 L CB -0.512 41.565 42.059 0.030 0.000 0.917 450 L HN 0.501 nan 8.230 nan 0.000 0.441 451 F N 0.807 120.740 119.950 -0.028 0.000 2.134 451 F HA -0.227 4.303 4.527 0.005 0.000 0.299 451 F C 2.325 178.114 175.800 -0.017 0.000 1.097 451 F CA 1.452 59.441 58.000 -0.018 0.000 1.264 451 F CB 0.002 38.991 39.000 -0.019 0.000 1.001 451 F HN -0.123 nan 8.300 nan 0.000 0.479 452 I N -0.217 120.357 120.570 0.007 0.000 2.315 452 I HA -0.223 3.949 4.170 0.004 0.000 0.248 452 I C 2.538 178.576 176.117 -0.131 0.000 1.117 452 I CA 1.169 62.410 61.300 -0.098 0.000 1.404 452 I CB -1.642 36.355 38.000 -0.005 0.000 1.071 452 I HN 0.151 nan 8.210 nan 0.000 0.419 453 S N 1.022 116.675 115.700 -0.078 0.000 2.353 453 S HA -0.132 4.340 4.470 0.004 0.000 0.222 453 S C 2.093 176.638 174.600 -0.092 0.000 1.035 453 S CA 1.202 59.364 58.200 -0.062 0.000 1.025 453 S CB -0.304 62.875 63.200 -0.034 0.000 0.902 453 S HN 0.350 nan 8.310 nan 0.000 0.440 454 L N 1.047 122.195 121.223 -0.124 0.000 2.083 454 L HA -0.056 4.286 4.340 0.004 0.000 0.209 454 L C 2.398 179.145 176.870 -0.206 0.000 1.083 454 L CA 0.924 55.680 54.840 -0.141 0.000 0.752 454 L CB -0.586 41.395 42.059 -0.129 0.000 0.899 454 L HN 0.338 nan 8.230 nan 0.000 0.433 455 L N 0.117 121.124 121.223 -0.360 0.000 2.141 455 L HA -0.173 4.170 4.340 0.004 0.000 0.209 455 L C 2.336 179.101 176.870 -0.175 0.000 1.094 455 L CA 1.683 56.298 54.840 -0.375 0.000 0.763 455 L CB -0.296 41.386 42.059 -0.627 0.000 0.908 455 L HN 0.233 nan 8.230 nan 0.000 0.437 456 I N -0.661 119.831 120.570 -0.131 0.000 2.439 456 I HA -0.297 3.875 4.170 0.004 0.000 0.251 456 I C 2.429 178.529 176.117 -0.028 0.000 1.139 456 I CA 0.762 62.027 61.300 -0.059 0.000 1.438 456 I CB 0.115 38.090 38.000 -0.042 0.000 1.085 456 I HN 0.185 nan 8.210 nan 0.000 0.427 457 I N 0.519 121.064 120.570 -0.042 0.000 2.113 457 I HA -0.327 3.846 4.170 0.004 0.000 0.238 457 I C 2.856 178.981 176.117 0.012 0.000 1.070 457 I CA 2.108 63.395 61.300 -0.021 0.000 1.332 457 I CB -0.633 37.340 38.000 -0.045 0.000 1.044 457 I HN 0.368 nan 8.210 nan 0.000 0.402 458 T N 0.390 114.943 114.554 -0.002 0.000 2.665 458 T HA -0.204 4.149 4.350 0.004 0.000 0.268 458 T C 1.843 176.594 174.700 0.084 0.000 1.035 458 T CA 1.329 63.456 62.100 0.045 0.000 1.151 458 T CB -0.528 68.351 68.868 0.018 0.000 0.862 458 T HN 0.070 nan 8.240 nan 0.000 0.438 459 L N 2.358 123.607 121.223 0.044 0.000 2.093 459 L HA 0.044 4.387 4.340 0.004 0.000 0.208 459 L C 3.189 180.098 176.870 0.065 0.000 1.085 459 L CA 1.944 56.815 54.840 0.050 0.000 0.755 459 L CB -1.244 40.827 42.059 0.021 0.000 0.904 459 L HN 0.662 nan 8.230 nan 0.000 0.435 460 S N -1.285 114.457 115.700 0.070 0.000 2.399 460 S HA -0.259 4.213 4.470 0.004 0.000 0.231 460 S C 2.114 176.782 174.600 0.114 0.000 1.022 460 S CA 1.127 59.374 58.200 0.079 0.000 0.983 460 S CB -1.064 62.180 63.200 0.074 0.000 0.803 460 S HN 0.419 nan 8.310 nan 0.000 0.480 461 F N 1.461 121.385 119.950 -0.044 0.000 2.456 461 F HA 0.246 4.775 4.527 0.004 0.000 0.298 461 F C 1.899 177.630 175.800 -0.114 0.000 1.104 461 F CA 0.228 58.174 58.000 -0.091 0.000 1.435 461 F CB -0.129 38.800 39.000 -0.118 0.000 1.078 461 F HN 0.124 nan 8.300 nan 0.000 0.546 462 I N 1.516 122.038 120.570 -0.079 0.000 2.147 462 I HA -0.330 3.842 4.170 0.004 0.000 0.245 462 I C -0.753 175.295 176.117 -0.114 0.000 1.059 462 I CA 1.703 63.001 61.300 -0.003 0.000 1.320 462 I CB -1.628 36.463 38.000 0.151 0.000 1.021 462 I HN 0.102 nan 8.210 nan 0.000 0.415 463 P HA -0.209 nan 4.420 nan 0.000 0.219 463 P C 1.570 178.727 177.300 -0.238 0.000 1.144 463 P CA 1.240 64.261 63.100 -0.130 0.000 0.806 463 P CB -0.387 31.249 31.700 -0.106 0.000 0.771 464 I N -4.960 115.302 120.570 -0.515 0.000 3.444 464 I HA -0.054 4.119 4.170 0.004 0.000 0.287 464 I C 1.248 177.077 176.117 -0.480 0.000 1.302 464 I CA 1.156 62.121 61.300 -0.557 0.000 1.368 464 I CB -1.662 35.839 38.000 -0.830 0.000 1.048 464 I HN -0.167 nan 8.210 nan 0.000 0.487 465 F N 2.510 122.248 119.950 -0.352 0.000 2.293 465 F HA -0.046 4.483 4.527 0.004 0.000 0.300 465 F C 2.488 178.194 175.800 -0.155 0.000 1.086 465 F CA 1.543 59.382 58.000 -0.268 0.000 1.375 465 F CB -1.112 37.729 39.000 -0.265 0.000 1.045 465 F HN 0.098 nan 8.300 nan 0.000 0.516 466 T N 0.891 115.459 114.554 0.022 0.000 2.849 466 T HA -0.114 4.239 4.350 0.004 0.000 0.270 466 T C 1.174 175.878 174.700 0.006 0.000 1.066 466 T CA 0.318 62.424 62.100 0.009 0.000 1.130 466 T CB -0.468 68.388 68.868 -0.020 0.000 0.864 466 T HN -0.006 nan 8.240 nan 0.000 0.481 467 L N 1.418 122.628 121.223 -0.023 0.000 2.536 467 L HA 0.008 4.350 4.340 0.004 0.000 0.294 467 L C 0.928 177.825 176.870 0.045 0.000 1.257 467 L CA 0.529 55.373 54.840 0.007 0.000 0.850 467 L CB 0.222 42.285 42.059 0.006 0.000 1.105 467 L HN 0.307 nan 8.230 nan 0.000 0.517 468 E N 0.253 120.489 120.200 0.059 0.000 2.568 468 E HA 0.398 4.750 4.350 0.004 0.000 0.242 468 E C 0.769 177.412 176.600 0.071 0.000 0.945 468 E CA 0.021 56.455 56.400 0.057 0.000 0.918 468 E CB 0.949 30.675 29.700 0.043 0.000 1.386 468 E HN 0.676 nan 8.360 nan 0.000 0.426 469 G N 0.621 109.455 108.800 0.056 0.000 2.998 469 G HA2 -0.482 3.481 3.960 0.004 0.000 0.855 469 G HA3 -0.482 3.481 3.960 0.004 0.000 0.855 469 G C 0.983 175.927 174.900 0.073 0.000 1.032 469 G CA 1.481 46.615 45.100 0.057 0.000 0.804 469 G HN 0.666 nan 8.290 nan 0.000 0.970 470 Q N 0.192 120.041 119.800 0.082 0.000 2.050 470 Q HA -0.180 4.162 4.340 0.004 0.000 0.202 470 Q C 2.624 178.689 176.000 0.108 0.000 0.980 470 Q CA 2.336 58.193 55.803 0.091 0.000 0.840 470 Q CB -0.345 28.453 28.738 0.101 0.000 0.898 470 Q HN 0.801 nan 8.270 nan 0.000 0.424 471 E N -0.406 119.908 120.200 0.189 0.000 2.209 471 E HA -0.170 4.183 4.350 0.004 0.000 0.196 471 E C 1.785 178.477 176.600 0.153 0.000 0.993 471 E CA 1.462 57.967 56.400 0.174 0.000 0.819 471 E CB -0.527 29.330 29.700 0.262 0.000 0.745 471 E HN 0.507 nan 8.360 nan 0.000 0.477 472 G N 1.232 110.107 108.800 0.124 0.000 2.396 472 G HA2 -0.193 3.769 3.960 0.004 0.000 0.214 472 G HA3 -0.193 3.769 3.960 0.004 0.000 0.214 472 G C 1.821 176.769 174.900 0.080 0.000 1.166 472 G CA 0.441 45.605 45.100 0.107 0.000 0.793 472 G HN 0.182 nan 8.290 nan 0.000 0.533 473 R N -0.690 119.846 120.500 0.060 0.000 2.127 473 R HA -0.031 4.311 4.340 0.004 0.000 0.238 473 R C 2.383 178.679 176.300 -0.007 0.000 1.134 473 R CA 1.005 57.134 56.100 0.049 0.000 0.975 473 R CB -0.343 29.981 30.300 0.039 0.000 0.865 473 R HN 0.368 nan 8.270 nan 0.000 0.447 474 L N -0.338 120.824 121.223 -0.101 0.000 2.007 474 L HA -0.056 4.287 4.340 0.004 0.000 0.205 474 L C 1.337 178.007 176.870 -0.334 0.000 1.073 474 L CA 1.775 56.434 54.840 -0.300 0.000 0.744 474 L CB -0.306 41.411 42.059 -0.570 0.000 0.898 474 L HN 0.019 nan 8.230 nan 0.000 0.435 475 F N -0.393 119.524 119.950 -0.054 0.000 2.773 475 F HA 0.212 4.741 4.527 0.004 0.000 0.304 475 F C 2.070 177.767 175.800 -0.171 0.000 1.129 475 F CA 0.260 58.199 58.000 -0.103 0.000 1.378 475 F CB -0.633 38.282 39.000 -0.142 0.000 1.095 475 F HN 0.171 nan 8.300 nan 0.000 0.565 476 G N 1.718 110.539 108.800 0.034 0.000 2.464 476 G HA2 -0.180 3.782 3.960 0.004 0.000 0.214 476 G HA3 -0.180 3.782 3.960 0.004 0.000 0.214 476 G C -0.694 174.220 174.900 0.022 0.000 1.218 476 G CA 0.667 45.772 45.100 0.009 0.000 0.794 476 G HN 0.174 nan 8.290 nan 0.000 0.542 477 P HA -0.027 nan 4.420 nan 0.000 0.220 477 P C 1.913 179.340 177.300 0.211 0.000 1.148 477 P CA 0.357 63.692 63.100 0.392 0.000 0.803 477 P CB -0.032 31.798 31.700 0.217 0.000 0.782 478 L N -0.676 120.610 121.223 0.105 0.000 2.141 478 L HA -0.056 4.286 4.340 0.004 0.000 0.209 478 L C 2.154 179.072 176.870 0.081 0.000 1.094 478 L CA 1.720 56.626 54.840 0.109 0.000 0.763 478 L CB -1.166 41.004 42.059 0.185 0.000 0.908 478 L HN -0.111 nan 8.230 nan 0.000 0.437 479 A N -1.465 121.276 122.820 -0.131 0.000 1.935 479 A HA -0.030 4.292 4.320 0.004 0.000 0.214 479 A C 2.018 179.473 177.584 -0.216 0.000 1.178 479 A CA 0.959 52.763 52.037 -0.389 0.000 0.640 479 A CB -0.779 17.288 19.000 -1.556 0.000 0.825 479 A HN 0.403 nan 8.150 nan 0.000 0.447 480 F N 1.260 121.242 119.950 0.054 0.000 2.031 480 F HA -0.209 4.320 4.527 0.004 0.000 0.295 480 F C 3.098 178.628 175.800 -0.450 0.000 1.133 480 F CA 1.942 59.831 58.000 -0.185 0.000 1.188 480 F CB -0.960 38.074 39.000 0.056 0.000 0.974 480 F HN 0.331 nan 8.300 nan 0.000 0.473 481 T N -1.209 113.456 114.554 0.184 0.000 2.699 481 T HA -0.247 4.105 4.350 0.004 0.000 0.268 481 T C 1.881 176.657 174.700 0.127 0.000 1.036 481 T CA 1.479 63.719 62.100 0.235 0.000 1.147 481 T CB -0.531 68.446 68.868 0.182 0.000 0.862 481 T HN 0.178 nan 8.240 nan 0.000 0.446 482 K N 0.671 121.109 120.400 0.063 0.000 2.009 482 K HA -0.118 4.205 4.320 0.004 0.000 0.210 482 K C 2.687 179.306 176.600 0.030 0.000 1.049 482 K CA 1.970 58.272 56.287 0.026 0.000 0.929 482 K CB -0.697 31.788 32.500 -0.025 0.000 0.714 482 K HN 0.396 nan 8.250 nan 0.000 0.440 483 T N 0.474 115.028 114.554 0.001 0.000 2.759 483 T HA -0.151 4.201 4.350 0.004 0.000 0.269 483 T C 1.619 176.344 174.700 0.042 0.000 1.042 483 T CA 1.339 63.439 62.100 0.000 0.000 1.140 483 T CB -0.280 68.582 68.868 -0.012 0.000 0.864 483 T HN 0.196 nan 8.240 nan 0.000 0.455 484 Y N 1.273 121.672 120.300 0.165 0.000 2.263 484 Y HA 0.208 4.760 4.550 0.004 0.000 0.292 484 Y C 2.651 178.609 175.900 0.097 0.000 1.130 484 Y CA -0.118 58.060 58.100 0.130 0.000 1.179 484 Y CB -1.161 37.377 38.460 0.130 0.000 0.998 484 Y HN 0.200 nan 8.280 nan 0.000 0.532 485 A N -0.095 122.862 122.820 0.230 0.000 1.898 485 A HA -0.138 4.185 4.320 0.004 0.000 0.216 485 A C 2.208 179.854 177.584 0.103 0.000 1.181 485 A CA 1.636 53.763 52.037 0.151 0.000 0.620 485 A CB -0.545 18.526 19.000 0.119 0.000 0.819 485 A HN 0.229 nan 8.150 nan 0.000 0.442 486 M N -0.177 119.468 119.600 0.076 0.000 2.067 486 M HA -0.083 4.400 4.480 0.004 0.000 0.260 486 M C 2.461 178.791 176.300 0.050 0.000 1.069 486 M CA 1.740 57.063 55.300 0.037 0.000 1.117 486 M CB -1.639 30.965 32.600 0.006 0.000 1.334 486 M HN 0.443 nan 8.290 nan 0.000 0.407 487 A N 0.214 123.085 122.820 0.086 0.000 2.125 487 A HA 0.073 4.396 4.320 0.004 0.000 0.219 487 A C 2.358 180.019 177.584 0.130 0.000 1.156 487 A CA 1.708 53.809 52.037 0.107 0.000 0.671 487 A CB -1.201 17.894 19.000 0.158 0.000 0.794 487 A HN 0.561 nan 8.150 nan 0.000 0.459 488 G N -0.682 108.197 108.800 0.131 0.000 2.439 488 G HA2 0.160 4.122 3.960 0.004 0.000 0.212 488 G HA3 0.160 4.122 3.960 0.004 0.000 0.212 488 G C 1.756 176.712 174.900 0.093 0.000 1.199 488 G CA 0.928 46.097 45.100 0.115 0.000 0.807 488 G HN 0.679 nan 8.290 nan 0.000 0.537 489 A N 1.218 124.086 122.820 0.081 0.000 1.940 489 A HA 0.220 4.543 4.320 0.004 0.000 0.219 489 A C 2.776 180.408 177.584 0.081 0.000 1.176 489 A CA 2.326 54.403 52.037 0.067 0.000 0.631 489 A CB -0.813 18.219 19.000 0.052 0.000 0.814 489 A HN 0.793 nan 8.150 nan 0.000 0.446 490 A N -0.392 122.483 122.820 0.091 0.000 1.851 490 A HA -0.093 4.229 4.320 0.004 0.000 0.216 490 A C 1.944 179.671 177.584 0.238 0.000 1.195 490 A CA 1.860 53.991 52.037 0.157 0.000 0.622 490 A CB -0.670 18.367 19.000 0.061 0.000 0.831 490 A HN 0.417 nan 8.150 nan 0.000 0.444 491 L N -0.412 120.925 121.223 0.191 0.000 2.191 491 L HA -0.098 4.244 4.340 0.004 0.000 0.212 491 L C 2.313 179.231 176.870 0.080 0.000 1.103 491 L CA 1.025 55.951 54.840 0.144 0.000 0.769 491 L CB -0.680 41.450 42.059 0.118 0.000 0.908 491 L HN 0.311 nan 8.230 nan 0.000 0.438 492 L N -1.217 120.049 121.223 0.073 0.000 2.131 492 L HA -0.027 4.316 4.340 0.004 0.000 0.206 492 L C 2.531 179.416 176.870 0.025 0.000 1.087 492 L CA 1.498 56.360 54.840 0.036 0.000 0.767 492 L CB -1.276 40.805 42.059 0.036 0.000 0.917 492 L HN 0.275 nan 8.230 nan 0.000 0.441 493 A N -0.040 122.811 122.820 0.052 0.000 2.019 493 A HA -0.135 4.187 4.320 0.004 0.000 0.219 493 A C 2.126 179.722 177.584 0.020 0.000 1.164 493 A CA 1.219 53.281 52.037 0.041 0.000 0.644 493 A CB -0.360 18.683 19.000 0.072 0.000 0.805 493 A HN 0.428 nan 8.150 nan 0.000 0.449 494 I N -1.391 119.190 120.570 0.018 0.000 2.867 494 I HA -0.040 4.132 4.170 0.004 0.000 0.265 494 I C 1.486 177.575 176.117 -0.046 0.000 1.162 494 I CA 0.585 61.866 61.300 -0.033 0.000 1.471 494 I CB 0.238 38.186 38.000 -0.085 0.000 1.123 494 I HN 0.097 nan 8.210 nan 0.000 0.440 495 V N -0.931 118.962 119.914 -0.035 0.000 3.635 495 V HA 0.157 4.279 4.120 0.004 0.000 0.266 495 V C 1.482 177.536 176.094 -0.067 0.000 1.316 495 V CA 0.350 62.621 62.300 -0.048 0.000 1.060 495 V CB 1.216 33.018 31.823 -0.034 0.000 0.820 495 V HN 0.161 nan 8.190 nan 0.000 0.447 496 V N -0.771 119.103 119.914 -0.067 0.000 3.229 496 V HA 0.174 4.297 4.120 0.004 0.000 0.239 496 V C 1.902 177.925 176.094 -0.118 0.000 1.390 496 V CA 0.340 62.580 62.300 -0.100 0.000 1.231 496 V CB 0.837 32.608 31.823 -0.086 0.000 1.025 496 V HN 0.240 nan 8.190 nan 0.000 0.461 497 I N 1.382 121.905 120.570 -0.078 0.000 2.315 497 I HA -0.067 4.105 4.170 0.004 0.000 0.248 497 I C -0.374 175.689 176.117 -0.091 0.000 1.117 497 I CA 1.585 62.838 61.300 -0.077 0.000 1.404 497 I CB -2.442 35.539 38.000 -0.033 0.000 1.071 497 I HN 0.349 nan 8.210 nan 0.000 0.419 498 P HA -0.073 nan 4.420 nan 0.000 0.216 498 P C 2.210 179.434 177.300 -0.128 0.000 1.153 498 P CA 1.368 64.422 63.100 -0.076 0.000 0.848 498 P CB 0.052 31.715 31.700 -0.061 0.000 0.787 499 I N -1.396 119.081 120.570 -0.156 0.000 2.394 499 I HA -0.182 3.990 4.170 0.004 0.000 0.251 499 I C 2.214 178.165 176.117 -0.277 0.000 1.136 499 I CA 1.193 62.375 61.300 -0.197 0.000 1.425 499 I CB -0.335 37.553 38.000 -0.188 0.000 1.079 499 I HN -0.072 nan 8.210 nan 0.000 0.425 500 L N 0.214 121.238 121.223 -0.332 0.000 2.179 500 L HA -0.148 4.194 4.340 0.004 0.000 0.208 500 L C 2.648 179.263 176.870 -0.425 0.000 1.096 500 L CA 0.934 55.449 54.840 -0.542 0.000 0.779 500 L CB -0.182 41.597 42.059 -0.467 0.000 0.922 500 L HN 0.345 nan 8.230 nan 0.000 0.443 501 M N -2.587 116.897 119.600 -0.194 0.000 2.388 501 M HA 0.116 4.598 4.480 0.004 0.000 0.265 501 M C 1.995 178.280 176.300 -0.024 0.000 1.088 501 M CA 1.633 56.903 55.300 -0.050 0.000 1.134 501 M CB -0.897 31.708 32.600 0.008 0.000 1.384 501 M HN -0.003 nan 8.290 nan 0.000 0.447 502 G N -0.054 108.669 108.800 -0.129 0.000 2.394 502 G HA2 -0.186 3.776 3.960 0.004 0.000 0.214 502 G HA3 -0.186 3.776 3.960 0.004 0.000 0.214 502 G C 1.178 175.864 174.900 -0.357 0.000 1.176 502 G CA 0.546 45.508 45.100 -0.229 0.000 0.786 502 G HN 0.453 nan 8.290 nan 0.000 0.533 503 Y N -0.374 119.614 120.300 -0.521 0.000 2.165 503 Y HA -0.028 4.524 4.550 0.004 0.000 0.286 503 Y C 1.222 177.128 175.900 0.011 0.000 1.155 503 Y CA 0.934 58.784 58.100 -0.417 0.000 1.164 503 Y CB 0.122 38.173 38.460 -0.682 0.000 0.978 503 Y HN 0.177 nan 8.280 nan 0.000 0.513 517 L N 1.798 122.918 121.223 -0.171 0.000 2.083 517 L HA -0.023 4.319 4.340 0.004 0.000 0.209 517 L C 2.101 178.914 176.870 -0.096 0.000 1.083 517 L CA 1.891 56.670 54.840 -0.101 0.000 0.752 517 L CB -1.669 40.274 42.059 -0.193 0.000 0.899 517 L HN 0.210 nan 8.230 nan 0.000 0.433 518 N N -0.099 118.488 118.700 -0.189 0.000 2.120 518 N HA -0.195 4.548 4.740 0.004 0.000 0.188 518 N C 2.023 177.514 175.510 -0.033 0.000 1.024 518 N CA 1.038 54.006 53.050 -0.136 0.000 0.852 518 N CB -0.308 38.071 38.487 -0.180 0.000 1.003 518 N HN 0.382 nan 8.380 nan 0.000 0.424 519 R N -0.077 120.401 120.500 -0.038 0.000 2.081 519 R HA -0.077 4.265 4.340 0.004 0.000 0.235 519 R C 1.874 178.219 176.300 0.076 0.000 1.131 519 R CA 0.874 56.971 56.100 -0.005 0.000 0.960 519 R CB -0.294 29.969 30.300 -0.062 0.000 0.856 519 R HN 0.065 nan 8.270 nan 0.000 0.436 520 F N 1.269 121.199 119.950 -0.034 0.000 2.171 520 F HA -0.182 4.348 4.527 0.004 0.000 0.300 520 F C 2.135 177.937 175.800 0.002 0.000 1.090 520 F CA 0.824 58.816 58.000 -0.013 0.000 1.293 520 F CB -0.487 38.498 39.000 -0.024 0.000 1.013 520 F HN -0.012 nan 8.300 nan 0.000 0.486 521 L N 0.030 121.368 121.223 0.192 0.000 1.978 521 L HA -0.303 4.040 4.340 0.004 0.000 0.218 521 L C 2.539 179.499 176.870 0.149 0.000 1.075 521 L CA 2.103 57.005 54.840 0.104 0.000 0.767 521 L CB -1.533 40.545 42.059 0.032 0.000 0.890 521 L HN 0.151 nan 8.230 nan 0.000 0.434 522 I N -0.936 119.730 120.570 0.160 0.000 2.208 522 I HA -0.302 3.871 4.170 0.004 0.000 0.245 522 I C 2.800 179.102 176.117 0.309 0.000 1.097 522 I CA 0.938 62.392 61.300 0.255 0.000 1.363 522 I CB -0.323 37.833 38.000 0.259 0.000 1.051 522 I HN 0.299 nan 8.210 nan 0.000 0.413 523 R N 0.499 121.145 120.500 0.243 0.000 2.073 523 R HA -0.129 4.214 4.340 0.004 0.000 0.234 523 R C 2.327 178.744 176.300 0.196 0.000 1.134 523 R CA 1.557 57.792 56.100 0.224 0.000 0.952 523 R CB -0.880 29.536 30.300 0.193 0.000 0.850 523 R HN 0.296 nan 8.270 nan 0.000 0.433 524 V N 0.299 120.338 119.914 0.208 0.000 2.324 524 V HA -0.309 3.813 4.120 0.004 0.000 0.250 524 V C 2.152 178.317 176.094 0.119 0.000 1.060 524 V CA 2.077 64.465 62.300 0.147 0.000 1.042 524 V CB -0.911 30.976 31.823 0.107 0.000 0.650 524 V HN 0.370 nan 8.190 nan 0.000 0.450 525 Y N -0.348 119.907 120.300 -0.075 0.000 2.475 525 Y HA -0.046 4.506 4.550 0.004 0.000 0.289 525 Y C 2.347 178.005 175.900 -0.404 0.000 1.121 525 Y CA 1.125 59.092 58.100 -0.221 0.000 1.257 525 Y CB 0.021 38.287 38.460 -0.324 0.000 1.026 525 Y HN 0.308 nan 8.280 nan 0.000 0.555 526 H N -0.486 118.383 119.070 -0.335 0.000 2.526 526 H HA 0.194 4.753 4.556 0.004 0.000 0.274 526 H C -1.615 173.621 175.328 -0.152 0.000 0.999 526 H CA -0.446 55.323 56.048 -0.464 0.000 1.157 526 H CB -0.211 29.296 29.762 -0.424 0.000 1.407 526 H HN 0.500 nan 8.280 nan 0.000 0.568 527 P HA 0.048 nan 4.420 nan 0.000 0.232 527 P C 1.657 178.922 177.300 -0.058 0.000 1.170 527 P CA 0.387 63.492 63.100 0.007 0.000 0.824 527 P CB 0.515 32.239 31.700 0.041 0.000 0.896 528 L N -1.212 119.931 121.223 -0.133 0.000 2.418 528 L HA 0.006 4.348 4.340 0.004 0.000 0.218 528 L C 2.068 178.704 176.870 -0.389 0.000 1.125 528 L CA 0.378 55.122 54.840 -0.159 0.000 0.835 528 L CB -0.590 41.480 42.059 0.018 0.000 0.953 528 L HN 0.004 nan 8.230 nan 0.000 0.454 529 L N 0.568 121.457 121.223 -0.557 0.000 2.027 529 L HA -0.154 4.188 4.340 0.004 0.000 0.206 529 L C 2.181 178.922 176.870 -0.215 0.000 1.074 529 L CA 1.933 56.420 54.840 -0.587 0.000 0.745 529 L CB -0.435 41.132 42.059 -0.821 0.000 0.898 529 L HN 0.119 nan 8.230 nan 0.000 0.433 530 L N -0.788 120.389 121.223 -0.077 0.000 2.156 530 L HA -0.045 4.297 4.340 0.004 0.000 0.208 530 L C 2.388 179.287 176.870 0.049 0.000 1.095 530 L CA 1.461 56.322 54.840 0.036 0.000 0.770 530 L CB -1.186 40.923 42.059 0.083 0.000 0.914 530 L HN 0.163 nan 8.230 nan 0.000 0.439 531 K N 0.334 120.741 120.400 0.012 0.000 2.211 531 K HA -0.046 4.276 4.320 0.004 0.000 0.203 531 K C 1.841 178.494 176.600 0.087 0.000 1.050 531 K CA 0.855 57.165 56.287 0.038 0.000 0.945 531 K CB -0.112 32.381 32.500 -0.013 0.000 0.732 531 K HN 0.113 nan 8.250 nan 0.000 0.451 532 V N 0.597 120.533 119.914 0.036 0.000 2.488 532 V HA -0.143 3.979 4.120 0.004 0.000 0.246 532 V C 1.857 178.026 176.094 0.124 0.000 1.046 532 V CA 1.017 63.359 62.300 0.071 0.000 1.053 532 V CB -0.276 31.547 31.823 0.001 0.000 0.679 532 V HN 0.297 nan 8.190 nan 0.000 0.458 533 L N -0.196 121.093 121.223 0.111 0.000 2.291 533 L HA -0.095 4.247 4.340 0.004 0.000 0.214 533 L C 2.304 179.282 176.870 0.179 0.000 1.120 533 L CA 1.940 56.859 54.840 0.131 0.000 0.799 533 L CB -1.947 40.173 42.059 0.101 0.000 0.925 533 L HN 0.578 nan 8.230 nan 0.000 0.446 534 H N -1.135 117.998 119.070 0.105 0.000 2.297 534 H HA -0.271 4.287 4.556 0.004 0.000 0.289 534 H C -0.108 175.360 175.328 0.234 0.000 1.105 534 H CA 2.235 58.358 56.048 0.125 0.000 1.219 534 H CB 0.097 29.924 29.762 0.109 0.000 1.351 534 H HN 0.202 nan 8.280 nan 0.000 0.481 535 W N -0.305 121.055 121.300 0.100 0.000 2.957 535 W HA 0.289 4.951 4.660 0.004 0.000 0.327 535 W C -2.487 174.082 176.519 0.083 0.000 1.039 535 W CA -3.089 54.270 57.345 0.023 0.000 1.257 535 W CB 1.171 30.634 29.460 0.004 0.000 1.238 535 W HN -0.002 nan 8.180 nan 0.000 0.406 536 P HA -0.266 nan 4.420 nan 0.000 0.214 536 P C 1.821 178.958 177.300 -0.272 0.000 1.163 536 P CA 2.449 65.525 63.100 -0.039 0.000 0.883 536 P CB 0.271 31.986 31.700 0.026 0.000 0.788 537 K N -0.202 119.835 120.400 -0.606 0.000 2.071 537 K HA -0.270 4.052 4.320 0.004 0.000 0.217 537 K C 1.900 178.149 176.600 -0.584 0.000 1.054 537 K CA 3.152 59.011 56.287 -0.713 0.000 0.937 537 K CB -1.134 30.628 32.500 -1.231 0.000 0.719 537 K HN 0.260 nan 8.250 nan 0.000 0.454 538 T N -1.442 112.690 114.554 -0.704 0.000 2.759 538 T HA -0.176 4.176 4.350 0.004 0.000 0.269 538 T C 2.117 176.724 174.700 -0.156 0.000 1.042 538 T CA 2.213 64.108 62.100 -0.342 0.000 1.140 538 T CB -1.168 67.606 68.868 -0.156 0.000 0.864 538 T HN 0.547 nan 8.240 nan 0.000 0.455 539 T N 1.135 115.621 114.554 -0.113 0.000 2.788 539 T HA 0.044 4.397 4.350 0.004 0.000 0.268 539 T C 2.032 176.706 174.700 -0.043 0.000 1.044 539 T CA 0.952 63.030 62.100 -0.036 0.000 1.139 539 T CB -0.773 68.107 68.868 0.020 0.000 0.867 539 T HN 0.437 nan 8.240 nan 0.000 0.454 540 L N 0.004 121.188 121.223 -0.065 0.000 2.109 540 L HA 0.111 4.454 4.340 0.004 0.000 0.207 540 L C 2.874 179.735 176.870 -0.015 0.000 1.086 540 L CA 0.581 55.411 54.840 -0.017 0.000 0.760 540 L CB -0.745 41.298 42.059 -0.027 0.000 0.910 540 L HN 0.259 nan 8.230 nan 0.000 0.437 541 L N 0.127 121.304 121.223 -0.076 0.000 2.012 541 L HA -0.196 4.146 4.340 0.004 0.000 0.210 541 L C 2.588 179.446 176.870 -0.020 0.000 1.073 541 L CA 1.750 56.556 54.840 -0.057 0.000 0.748 541 L CB -0.457 41.541 42.059 -0.102 0.000 0.891 541 L HN 0.047 nan 8.230 nan 0.000 0.431 542 V N 0.388 120.282 119.914 -0.032 0.000 2.332 542 V HA -0.328 3.795 4.120 0.004 0.000 0.248 542 V C 2.906 179.003 176.094 0.004 0.000 1.055 542 V CA 1.708 63.994 62.300 -0.023 0.000 1.038 542 V CB -0.937 30.862 31.823 -0.040 0.000 0.651 542 V HN 0.604 nan 8.190 nan 0.000 0.450 543 A N -0.079 122.756 122.820 0.024 0.000 1.841 543 A HA -0.205 4.117 4.320 0.004 0.000 0.216 543 A C 2.480 180.228 177.584 0.274 0.000 1.199 543 A CA 2.531 54.648 52.037 0.133 0.000 0.621 543 A CB -1.184 17.931 19.000 0.192 0.000 0.835 543 A HN 0.629 nan 8.150 nan 0.000 0.445 544 A N -0.542 122.382 122.820 0.173 0.000 1.903 544 A HA -0.161 4.161 4.320 0.004 0.000 0.219 544 A C 2.134 179.771 177.584 0.089 0.000 1.191 544 A CA 1.842 53.944 52.037 0.109 0.000 0.638 544 A CB -0.678 18.354 19.000 0.053 0.000 0.823 544 A HN 0.452 nan 8.150 nan 0.000 0.451 545 L N -0.181 121.081 121.223 0.065 0.000 2.042 545 L HA -0.176 4.167 4.340 0.004 0.000 0.210 545 L C 2.805 179.715 176.870 0.067 0.000 1.076 545 L CA 2.301 57.169 54.840 0.047 0.000 0.749 545 L CB -1.423 40.646 42.059 0.018 0.000 0.893 545 L HN 0.419 nan 8.230 nan 0.000 0.432 546 S N -0.381 115.372 115.700 0.087 0.000 2.353 546 S HA -0.158 4.314 4.470 0.004 0.000 0.222 546 S C 2.066 176.762 174.600 0.159 0.000 1.035 546 S CA 1.248 59.507 58.200 0.098 0.000 1.025 546 S CB -0.349 62.906 63.200 0.091 0.000 0.902 546 S HN 0.228 nan 8.310 nan 0.000 0.440 547 V N 1.739 121.768 119.914 0.191 0.000 2.546 547 V HA -0.168 3.955 4.120 0.004 0.000 0.254 547 V C 2.172 178.327 176.094 0.102 0.000 1.076 547 V CA 1.354 63.722 62.300 0.114 0.000 1.087 547 V CB -0.636 31.182 31.823 -0.008 0.000 0.674 547 V HN 0.312 nan 8.190 nan 0.000 0.470 548 L N -0.177 121.103 121.223 0.096 0.000 2.109 548 L HA -0.075 4.267 4.340 0.004 0.000 0.207 548 L C 2.481 179.429 176.870 0.130 0.000 1.086 548 L CA 2.237 57.128 54.840 0.085 0.000 0.760 548 L CB -0.830 41.267 42.059 0.062 0.000 0.910 548 L HN 0.321 nan 8.230 nan 0.000 0.437 549 T N -1.933 112.725 114.554 0.173 0.000 3.155 549 T HA -0.105 4.248 4.350 0.004 0.000 0.264 549 T C 1.780 176.762 174.700 0.470 0.000 1.160 549 T CA 0.875 63.142 62.100 0.279 0.000 1.075 549 T CB -0.267 68.734 68.868 0.220 0.000 0.921 549 T HN 0.156 nan 8.240 nan 0.000 0.533 550 V N 0.634 120.746 119.914 0.330 0.000 3.141 550 V HA 0.056 4.178 4.120 0.004 0.000 0.265 550 V C 1.876 177.981 176.094 0.019 0.000 1.126 550 V CA 0.947 63.388 62.300 0.234 0.000 1.141 550 V CB -0.288 31.636 31.823 0.169 0.000 0.743 550 V HN 0.410 nan 8.190 nan 0.000 0.492 551 L N -1.661 119.599 121.223 0.061 0.000 2.341 551 L HA 0.047 4.389 4.340 0.004 0.000 0.214 551 L C 1.749 178.595 176.870 -0.040 0.000 1.115 551 L CA 1.550 56.389 54.840 -0.000 0.000 0.820 551 L CB -0.657 41.423 42.059 0.035 0.000 0.944 551 L HN 0.606 nan 8.230 nan 0.000 0.452 552 W N 1.718 122.889 121.300 -0.215 0.000 2.481 552 W HA -0.012 4.650 4.660 0.004 0.000 0.293 552 W C -0.548 175.627 176.519 -0.573 0.000 1.201 552 W CA 0.840 57.997 57.345 -0.312 0.000 1.328 552 W CB -0.906 28.411 29.460 -0.237 0.000 1.112 552 W HN 0.014 nan 8.180 nan 0.000 0.546 553 P HA -0.214 nan 4.420 nan 0.000 0.217 553 P C 2.023 178.958 177.300 -0.608 0.000 1.150 553 P CA 1.299 63.718 63.100 -1.135 0.000 0.832 553 P CB -0.462 30.271 31.700 -1.611 0.000 0.787 554 L N 0.336 121.300 121.223 -0.432 0.000 2.129 554 L HA -0.135 4.207 4.340 0.004 0.000 0.212 554 L C 1.123 177.851 176.870 -0.236 0.000 1.087 554 L CA 2.227 56.919 54.840 -0.246 0.000 0.757 554 L CB -1.581 40.377 42.059 -0.169 0.000 0.896 554 L HN -0.073 nan 8.230 nan 0.000 0.434 555 N N -0.417 118.086 118.700 -0.328 0.000 2.412 555 N HA -0.074 4.668 4.740 0.004 0.000 0.184 555 N C 1.334 176.663 175.510 -0.303 0.000 1.101 555 N CA 0.369 53.244 53.050 -0.292 0.000 0.881 555 N CB 0.219 38.526 38.487 -0.300 0.000 0.969 555 N HN 0.196 nan 8.380 nan 0.000 0.459 556 K N -0.266 119.926 120.400 -0.346 0.000 2.335 556 K HA 0.156 4.478 4.320 0.004 0.000 0.195 556 K C -0.045 176.540 176.600 -0.025 0.000 1.058 556 K CA 0.014 56.191 56.287 -0.183 0.000 0.988 556 K CB 0.389 32.810 32.500 -0.132 0.000 0.880 556 K HN 0.033 nan 8.250 nan 0.000 0.513 557 V N -0.688 119.214 119.914 -0.020 0.000 2.924 557 V HA 0.588 4.710 4.120 0.004 0.000 0.305 557 V C 0.688 176.801 176.094 0.031 0.000 1.073 557 V CA -0.549 61.753 62.300 0.004 0.000 1.098 557 V CB 0.929 32.762 31.823 0.016 0.000 1.000 557 V HN 0.149 nan 8.190 nan 0.000 0.484 558 G N 1.179 110.061 108.800 0.136 0.000 2.705 558 G HA2 0.715 4.678 3.960 0.004 0.000 0.299 558 G HA3 0.715 4.678 3.960 0.004 0.000 0.299 558 G C -0.250 174.794 174.900 0.241 0.000 1.315 558 G CA -0.566 44.702 45.100 0.280 0.000 1.045 558 G HN 1.420 nan 8.290 nan 0.000 0.517 559 G N -0.347 108.539 108.800 0.142 0.000 2.702 559 G HA2 0.601 4.563 3.960 0.004 0.000 0.295 559 G HA3 0.601 4.563 3.960 0.004 0.000 0.295 559 G C -0.554 174.364 174.900 0.031 0.000 1.446 559 G CA -0.491 44.662 45.100 0.088 0.000 0.983 559 G HN 0.749 nan 8.290 nan 0.000 0.520 560 E N 1.703 121.914 120.200 0.019 0.000 2.339 560 E HA 0.563 4.915 4.350 0.004 0.000 0.262 560 E C -0.064 176.595 176.600 0.098 0.000 0.934 560 E CA -0.999 55.409 56.400 0.013 0.000 0.802 560 E CB 1.826 31.478 29.700 -0.079 0.000 1.275 560 E HN 0.216 nan 8.360 nan 0.000 0.427 561 F N 1.064 121.000 119.950 -0.025 0.000 2.037 561 F HA 0.213 4.742 4.527 0.004 0.000 0.291 561 F C 0.202 176.008 175.800 0.011 0.000 1.137 561 F CA 1.120 59.109 58.000 -0.019 0.000 1.178 561 F CB 0.164 39.150 39.000 -0.024 0.000 0.995 561 F HN 0.352 nan 8.300 nan 0.000 0.472 562 L N -0.763 120.391 121.223 -0.116 0.000 2.327 562 L HA 0.418 4.760 4.340 0.004 0.000 0.258 562 L C -2.319 174.519 176.870 -0.054 0.000 1.024 562 L CA -2.359 52.375 54.840 -0.177 0.000 0.825 562 L CB 1.676 43.585 42.059 -0.250 0.000 1.386 562 L HN -0.166 nan 8.230 nan 0.000 0.417 563 P HA -0.014 nan 4.420 nan 0.000 0.280 563 P C -1.168 176.107 177.300 -0.042 0.000 1.278 563 P CA -0.366 62.695 63.100 -0.064 0.000 0.787 563 P CB 0.328 31.964 31.700 -0.106 0.000 1.163 564 Q N 0.702 120.477 119.800 -0.042 0.000 2.503 564 Q HA 0.228 4.570 4.340 0.004 0.000 0.227 564 Q C -0.785 175.202 176.000 -0.023 0.000 1.109 564 Q CA -0.139 55.651 55.803 -0.021 0.000 0.922 564 Q CB -0.964 27.767 28.738 -0.013 0.000 1.249 564 Q HN 0.151 nan 8.270 nan 0.000 0.530 565 I N 2.603 123.162 120.570 -0.019 0.000 2.598 565 I HA 0.072 4.244 4.170 0.004 0.000 0.284 565 I C 0.189 176.306 176.117 -0.001 0.000 1.140 565 I CA -0.010 61.281 61.300 -0.015 0.000 1.420 565 I CB -0.125 37.864 38.000 -0.018 0.000 1.387 565 I HN 0.615 nan 8.210 nan 0.000 0.553 566 N N 6.207 124.909 118.700 0.003 0.000 2.457 566 N HA 0.203 4.945 4.740 0.004 0.000 0.250 566 N C -0.669 174.849 175.510 0.014 0.000 0.982 566 N CA -0.479 52.577 53.050 0.010 0.000 0.941 566 N CB 0.890 39.385 38.487 0.013 0.000 1.120 566 N HN 0.547 nan 8.380 nan 0.000 0.505 567 E N 1.102 121.309 120.200 0.012 0.000 2.202 567 E HA 0.366 4.718 4.350 0.004 0.000 0.272 567 E C 0.313 176.911 176.600 -0.004 0.000 0.951 567 E CA -1.313 55.092 56.400 0.008 0.000 0.813 567 E CB 1.213 30.918 29.700 0.008 0.000 1.151 567 E HN 0.540 nan 8.360 nan 0.000 0.398 568 G N 2.590 111.384 108.800 -0.010 0.000 3.375 568 G HA2 0.042 4.004 3.960 0.004 0.000 0.247 568 G HA3 0.042 4.004 3.960 0.004 0.000 0.247 568 G C -0.555 174.314 174.900 -0.051 0.000 1.343 568 G CA -0.002 45.088 45.100 -0.016 0.000 1.368 568 G HN 0.458 nan 8.290 nan 0.000 0.549 569 D N -0.578 119.781 120.400 -0.069 0.000 2.717 569 D HA 0.472 5.114 4.640 0.004 0.000 0.223 569 D C -0.525 175.743 176.300 -0.053 0.000 1.240 569 D CA -0.309 53.625 54.000 -0.110 0.000 0.801 569 D CB 2.220 42.843 40.800 -0.294 0.000 1.556 569 D HN 0.198 nan 8.370 nan 0.000 0.462 570 L N -1.702 119.520 121.223 -0.001 0.000 2.506 570 L HA 0.706 5.048 4.340 0.004 0.000 0.257 570 L C -1.397 175.539 176.870 0.110 0.000 0.964 570 L CA -1.181 53.698 54.840 0.066 0.000 0.836 570 L CB 1.644 43.779 42.059 0.126 0.000 1.384 570 L HN 0.275 nan 8.230 nan 0.000 0.410 571 L N 0.521 121.804 121.223 0.100 0.000 2.317 571 L HA 0.607 4.949 4.340 0.004 0.000 0.281 571 L C -0.829 176.101 176.870 0.099 0.000 1.024 571 L CA -0.784 54.120 54.840 0.106 0.000 0.810 571 L CB 1.194 43.285 42.059 0.053 0.000 1.240 571 L HN 0.716 nan 8.230 nan 0.000 0.427 572 Y N 3.561 123.830 120.300 -0.052 0.000 2.367 572 Y HA 0.677 5.229 4.550 0.004 0.000 0.342 572 Y C -0.744 174.941 175.900 -0.358 0.000 0.979 572 Y CA -0.640 57.248 58.100 -0.353 0.000 1.161 572 Y CB 1.185 39.382 38.460 -0.438 0.000 1.155 572 Y HN 0.637 nan 8.280 nan 0.000 0.503 573 M N 9.499 128.581 119.600 -0.863 0.000 2.253 573 M HA 0.449 4.931 4.480 0.004 0.000 0.314 573 M C -2.797 172.944 176.300 -0.933 0.000 1.019 573 M CA -1.659 53.228 55.300 -0.689 0.000 0.932 573 M CB 2.439 34.781 32.600 -0.430 0.000 1.606 573 M HN 0.465 nan 8.290 nan 0.000 0.430 574 P HA 0.215 nan 4.420 nan 0.000 0.308 574 P C -1.044 176.065 177.300 -0.319 0.000 1.457 574 P CA -0.663 62.087 63.100 -0.583 0.000 1.041 574 P CB 1.830 33.263 31.700 -0.445 0.000 1.101 575 S N 3.009 118.548 115.700 -0.268 0.000 2.711 575 S HA 0.113 4.585 4.470 0.004 0.000 0.335 575 S C -0.032 174.522 174.600 -0.077 0.000 1.175 575 S CA 0.359 58.470 58.200 -0.149 0.000 1.372 575 S CB -1.317 61.871 63.200 -0.021 0.000 1.337 575 S HN 0.317 nan 8.310 nan 0.000 0.572 576 T N 6.686 121.197 114.554 -0.071 0.000 2.829 576 T HA 0.389 4.741 4.350 0.004 0.000 0.282 576 T C 0.219 174.909 174.700 -0.017 0.000 0.990 576 T CA -0.871 61.207 62.100 -0.036 0.000 1.028 576 T CB 0.873 69.723 68.868 -0.031 0.000 0.951 576 T HN 0.444 nan 8.240 nan 0.000 0.460 577 L N 4.606 125.824 121.223 -0.009 0.000 2.452 577 L HA 0.175 4.517 4.340 0.004 0.000 0.267 577 L C -0.498 176.370 176.870 -0.004 0.000 1.188 577 L CA -1.438 53.397 54.840 -0.008 0.000 0.821 577 L CB 0.671 42.725 42.059 -0.008 0.000 1.102 577 L HN 0.511 nan 8.230 nan 0.000 0.470 578 P HA -0.090 nan 4.420 nan 0.000 0.215 578 P C 0.733 178.045 177.300 0.019 0.000 1.157 578 P CA 0.660 63.765 63.100 0.008 0.000 0.863 578 P CB 0.064 31.765 31.700 0.002 0.000 0.787 579 G N 1.873 110.679 108.800 0.011 0.000 2.624 579 G HA2 0.328 4.290 3.960 0.004 0.000 0.292 579 G HA3 0.328 4.290 3.960 0.004 0.000 0.292 579 G C 0.298 175.208 174.900 0.017 0.000 0.777 579 G CA -0.086 45.024 45.100 0.017 0.000 1.883 579 G HN 0.482 nan 8.290 nan 0.000 0.505 580 I N -1.393 119.192 120.570 0.024 0.000 3.181 580 I HA 0.752 4.924 4.170 0.004 0.000 0.311 580 I C -0.375 175.756 176.117 0.025 0.000 1.287 580 I CA -1.007 60.305 61.300 0.021 0.000 0.958 580 I CB 1.939 39.950 38.000 0.018 0.000 1.294 580 I HN 0.107 nan 8.210 nan 0.000 0.467 581 S N 1.460 117.172 115.700 0.020 0.000 2.745 581 S HA 0.687 5.159 4.470 0.004 0.000 0.292 581 S C 0.936 175.547 174.600 0.018 0.000 1.133 581 S CA -0.151 58.060 58.200 0.019 0.000 0.998 581 S CB 1.607 64.816 63.200 0.015 0.000 1.087 581 S HN 0.872 nan 8.310 nan 0.000 0.551 582 A N 0.756 123.586 122.820 0.017 0.000 1.929 582 A HA 0.164 4.486 4.320 0.004 0.000 0.216 582 A C 2.134 179.726 177.584 0.013 0.000 1.176 582 A CA 1.513 53.560 52.037 0.017 0.000 0.628 582 A CB -1.216 17.793 19.000 0.016 0.000 0.816 582 A HN 0.870 nan 8.150 nan 0.000 0.444 583 A N -0.231 122.596 122.820 0.011 0.000 1.898 583 A HA -0.166 4.157 4.320 0.004 0.000 0.216 583 A C 1.999 179.587 177.584 0.006 0.000 1.181 583 A CA 1.706 53.748 52.037 0.007 0.000 0.620 583 A CB -0.535 18.469 19.000 0.007 0.000 0.819 583 A HN 0.642 nan 8.150 nan 0.000 0.442 584 E N -0.184 120.021 120.200 0.008 0.000 2.265 584 E HA -0.088 4.264 4.350 0.004 0.000 0.196 584 E C 1.924 178.528 176.600 0.008 0.000 0.996 584 E CA 0.846 57.251 56.400 0.008 0.000 0.832 584 E CB -0.183 29.523 29.700 0.010 0.000 0.756 584 E HN 0.566 nan 8.360 nan 0.000 0.491 585 A N 0.863 123.689 122.820 0.010 0.000 1.930 585 A HA 0.091 4.413 4.320 0.004 0.000 0.215 585 A C 2.326 179.912 177.584 0.003 0.000 1.176 585 A CA 1.201 53.244 52.037 0.011 0.000 0.632 585 A CB -0.476 18.535 19.000 0.017 0.000 0.819 585 A HN 0.375 nan 8.150 nan 0.000 0.445 586 A N -0.743 122.077 122.820 0.001 0.000 1.873 586 A HA -0.093 4.230 4.320 0.004 0.000 0.215 586 A C 2.475 180.051 177.584 -0.013 0.000 1.186 586 A CA 2.076 54.108 52.037 -0.009 0.000 0.616 586 A CB -1.070 17.926 19.000 -0.006 0.000 0.823 586 A HN 0.509 nan 8.150 nan 0.000 0.442 587 S N -1.055 114.641 115.700 -0.007 0.000 2.370 587 S HA -0.188 4.284 4.470 0.004 0.000 0.226 587 S C 2.119 176.713 174.600 -0.010 0.000 1.033 587 S CA 1.803 59.998 58.200 -0.008 0.000 1.011 587 S CB -0.423 62.775 63.200 -0.003 0.000 0.852 587 S HN 0.513 nan 8.310 nan 0.000 0.457 588 M N 0.078 119.675 119.600 -0.006 0.000 2.117 588 M HA -0.092 4.391 4.480 0.004 0.000 0.262 588 M C 2.116 178.406 176.300 -0.017 0.000 1.065 588 M CA 1.180 56.476 55.300 -0.005 0.000 1.114 588 M CB -0.453 32.151 32.600 0.006 0.000 1.361 588 M HN 0.392 nan 8.290 nan 0.000 0.408 589 L N 0.714 121.925 121.223 -0.019 0.000 2.046 589 L HA -0.237 4.105 4.340 0.004 0.000 0.208 589 L C 2.516 179.357 176.870 -0.049 0.000 1.077 589 L CA 1.889 56.708 54.840 -0.035 0.000 0.747 589 L CB -0.923 41.112 42.059 -0.041 0.000 0.896 589 L HN 0.348 nan 8.230 nan 0.000 0.432 590 Q N 0.074 119.850 119.800 -0.040 0.000 1.990 590 Q HA -0.269 4.073 4.340 0.004 0.000 0.200 590 Q C 2.358 178.336 176.000 -0.036 0.000 0.980 590 Q CA 2.125 57.905 55.803 -0.039 0.000 0.832 590 Q CB -0.277 28.444 28.738 -0.028 0.000 0.897 590 Q HN 0.564 nan 8.270 nan 0.000 0.427 591 K N -0.514 119.869 120.400 -0.029 0.000 2.020 591 K HA -0.156 4.166 4.320 0.004 0.000 0.212 591 K C 2.165 178.741 176.600 -0.040 0.000 1.050 591 K CA 1.984 58.255 56.287 -0.026 0.000 0.929 591 K CB -0.202 32.288 32.500 -0.017 0.000 0.714 591 K HN 0.219 nan 8.250 nan 0.000 0.443 592 T N 1.567 116.086 114.554 -0.058 0.000 2.607 592 T HA -0.167 4.185 4.350 0.004 0.000 0.267 592 T C 1.197 175.832 174.700 -0.108 0.000 1.049 592 T CA 1.976 64.011 62.100 -0.109 0.000 1.162 592 T CB -0.438 68.333 68.868 -0.161 0.000 0.863 592 T HN 0.346 nan 8.240 nan 0.000 0.424 593 D N 0.542 120.890 120.400 -0.086 0.000 2.263 593 D HA -0.055 4.587 4.640 0.004 0.000 0.208 593 D C 2.172 178.449 176.300 -0.038 0.000 0.971 593 D CA 0.704 54.668 54.000 -0.059 0.000 0.867 593 D CB -0.167 40.603 40.800 -0.050 0.000 0.929 593 D HN 0.124 nan 8.370 nan 0.000 0.492 594 K N 0.582 120.960 120.400 -0.037 0.000 2.148 594 K HA 0.004 4.327 4.320 0.004 0.000 0.204 594 K C 2.087 178.673 176.600 -0.024 0.000 1.050 594 K CA 0.443 56.714 56.287 -0.026 0.000 0.942 594 K CB -0.178 32.309 32.500 -0.022 0.000 0.724 594 K HN 0.279 nan 8.250 nan 0.000 0.446 595 L N -0.263 120.942 121.223 -0.030 0.000 2.253 595 L HA 0.030 4.372 4.340 0.004 0.000 0.205 595 L C 2.040 178.896 176.870 -0.024 0.000 1.078 595 L CA 0.108 54.934 54.840 -0.024 0.000 0.805 595 L CB -0.428 41.620 42.059 -0.018 0.000 0.963 595 L HN -0.089 nan 8.230 nan 0.000 0.459 596 I N 0.458 121.011 120.570 -0.029 0.000 2.264 596 I HA -0.289 3.883 4.170 0.004 0.000 0.248 596 I C 2.440 178.552 176.117 -0.009 0.000 1.111 596 I CA 1.859 63.156 61.300 -0.005 0.000 1.382 596 I CB -0.622 37.381 38.000 0.005 0.000 1.060 596 I HN 0.379 nan 8.210 nan 0.000 0.418 597 M N 0.806 120.397 119.600 -0.014 0.000 2.558 597 M HA -0.068 4.414 4.480 0.004 0.000 0.255 597 M C 2.300 178.584 176.300 -0.027 0.000 1.113 597 M CA 0.977 56.267 55.300 -0.017 0.000 1.097 597 M CB -0.305 32.288 32.600 -0.012 0.000 1.426 597 M HN 0.288 nan 8.290 nan 0.000 0.488 598 S N -1.003 114.681 115.700 -0.026 0.000 2.371 598 S HA 0.034 4.507 4.470 0.004 0.000 0.224 598 S C 0.770 175.350 174.600 -0.034 0.000 1.029 598 S CA 0.272 58.455 58.200 -0.027 0.000 0.978 598 S CB -1.047 62.141 63.200 -0.020 0.000 0.833 598 S HN 0.221 nan 8.310 nan 0.000 0.466 599 V N 4.759 124.652 119.914 -0.034 0.000 2.584 599 V HA 0.060 4.183 4.120 0.004 0.000 0.303 599 V C -0.997 175.060 176.094 -0.060 0.000 1.035 599 V CA -0.719 61.562 62.300 -0.032 0.000 1.172 599 V CB 0.274 32.074 31.823 -0.039 0.000 0.896 599 V HN 0.307 nan 8.190 nan 0.000 0.486 600 P HA -0.195 nan 4.420 nan 0.000 0.218 600 P C 1.380 178.495 177.300 -0.308 0.000 1.154 600 P CA 1.270 64.231 63.100 -0.230 0.000 0.872 600 P CB 0.365 31.866 31.700 -0.332 0.000 0.790 601 E N -1.023 119.034 120.200 -0.238 0.000 2.452 601 E HA 0.020 4.372 4.350 0.004 0.000 0.197 601 E C 0.247 176.786 176.600 -0.101 0.000 1.022 601 E CA -0.169 56.091 56.400 -0.234 0.000 0.890 601 E CB -0.375 29.257 29.700 -0.114 0.000 0.918 601 E HN 0.047 nan 8.360 nan 0.000 0.496 602 V N -1.426 118.448 119.914 -0.066 0.000 3.032 602 V HA 0.322 4.445 4.120 0.004 0.000 0.307 602 V C 0.839 176.906 176.094 -0.046 0.000 1.097 602 V CA 0.442 62.720 62.300 -0.036 0.000 1.191 602 V CB 1.300 33.111 31.823 -0.019 0.000 0.964 602 V HN 0.090 nan 8.190 nan 0.000 0.494 603 A N 4.216 127.021 122.820 -0.026 0.000 2.050 603 A HA 0.467 4.789 4.320 0.004 0.000 0.214 603 A C 1.334 178.915 177.584 -0.004 0.000 1.577 603 A CA -0.050 51.973 52.037 -0.024 0.000 0.752 603 A CB 0.152 19.139 19.000 -0.021 0.000 1.220 603 A HN 0.809 nan 8.150 nan 0.000 0.543 604 R N -1.127 119.381 120.500 0.012 0.000 2.828 604 R HA 0.660 5.002 4.340 0.004 0.000 0.264 604 R C -1.827 174.508 176.300 0.058 0.000 1.022 604 R CA -0.539 55.584 56.100 0.039 0.000 1.021 604 R CB 2.199 32.531 30.300 0.053 0.000 1.163 604 R HN 0.163 nan 8.270 nan 0.000 0.494 605 V N 2.410 122.374 119.914 0.083 0.000 2.509 605 V HA 0.237 4.360 4.120 0.004 0.000 0.289 605 V C -1.346 174.834 176.094 0.144 0.000 1.026 605 V CA -0.643 61.716 62.300 0.098 0.000 0.872 605 V CB 1.430 33.283 31.823 0.049 0.000 1.017 605 V HN 0.594 nan 8.190 nan 0.000 0.436 606 F N 4.307 124.281 119.950 0.040 0.000 2.303 606 F HA 0.753 5.282 4.527 0.004 0.000 0.368 606 F C 1.016 176.853 175.800 0.061 0.000 1.105 606 F CA -0.311 57.719 58.000 0.051 0.000 1.153 606 F CB 0.724 39.761 39.000 0.060 0.000 1.362 606 F HN 0.586 nan 8.300 nan 0.000 0.511 607 G N 4.534 113.191 108.800 -0.239 0.000 2.606 607 G HA2 0.326 4.288 3.960 0.004 0.000 0.252 607 G HA3 0.326 4.288 3.960 0.004 0.000 0.252 607 G C -1.254 173.515 174.900 -0.218 0.000 1.206 607 G CA -0.450 44.556 45.100 -0.156 0.000 0.861 607 G HN 0.638 nan 8.290 nan 0.000 0.561 608 K N -0.541 119.834 120.400 -0.043 0.000 2.569 608 K HA 0.431 4.753 4.320 0.004 0.000 0.259 608 K C -1.473 175.148 176.600 0.036 0.000 0.932 608 K CA -0.534 55.762 56.287 0.015 0.000 0.833 608 K CB 1.819 34.418 32.500 0.165 0.000 1.340 608 K HN 0.582 nan 8.250 nan 0.000 0.429 609 T N 1.011 115.587 114.554 0.037 0.000 2.900 609 T HA 0.706 5.059 4.350 0.004 0.000 0.295 609 T C 0.028 174.767 174.700 0.066 0.000 1.044 609 T CA 0.086 62.211 62.100 0.041 0.000 0.995 609 T CB 1.607 70.491 68.868 0.027 0.000 1.072 609 T HN 0.991 nan 8.240 nan 0.000 0.473 610 G N 2.279 111.121 108.800 0.070 0.000 2.601 610 G HA2 -0.171 3.792 3.960 0.004 0.000 0.252 610 G HA3 -0.171 3.792 3.960 0.004 0.000 0.252 610 G C -0.663 174.306 174.900 0.116 0.000 1.294 610 G CA 0.116 45.276 45.100 0.100 0.000 0.912 610 G HN 1.033 nan 8.290 nan 0.000 0.574 611 K N -0.147 120.342 120.400 0.148 0.000 2.156 611 K HA 0.808 5.130 4.320 0.004 0.000 0.254 611 K C 0.098 176.813 176.600 0.191 0.000 0.950 611 K CA -0.228 56.163 56.287 0.172 0.000 0.849 611 K CB 2.175 34.784 32.500 0.183 0.000 1.100 611 K HN 1.502 nan 8.250 nan 0.000 0.434 612 A N 2.134 125.102 122.820 0.247 0.000 2.371 612 A HA 0.116 4.439 4.320 0.004 0.000 0.257 612 A C -0.035 177.642 177.584 0.156 0.000 1.089 612 A CA -0.550 51.604 52.037 0.195 0.000 0.794 612 A CB 0.076 19.203 19.000 0.212 0.000 1.029 612 A HN 0.770 nan 8.150 nan 0.000 0.488 613 E N 1.779 122.026 120.200 0.077 0.000 1.943 613 E HA 0.117 4.469 4.350 0.004 0.000 0.254 613 E C -0.558 176.079 176.600 0.061 0.000 1.239 613 E CA 0.811 57.247 56.400 0.059 0.000 1.027 613 E CB -0.739 28.957 29.700 -0.007 0.000 1.087 613 E HN 0.527 nan 8.360 nan 0.000 0.437 614 T N -0.394 114.242 114.554 0.137 0.000 3.087 614 T HA 0.305 4.658 4.350 0.004 0.000 0.351 614 T C 0.727 175.560 174.700 0.222 0.000 1.520 614 T CA -0.227 61.968 62.100 0.158 0.000 1.111 614 T CB 1.582 70.575 68.868 0.209 0.000 1.353 614 T HN 0.179 nan 8.240 nan 0.000 0.481 615 A N 1.148 124.091 122.820 0.205 0.000 2.121 615 A HA 0.049 4.372 4.320 0.004 0.000 0.218 615 A C 2.156 179.902 177.584 0.270 0.000 1.154 615 A CA 1.794 54.003 52.037 0.287 0.000 0.679 615 A CB -0.819 18.280 19.000 0.165 0.000 0.795 615 A HN 0.791 nan 8.150 nan 0.000 0.458 616 T N -0.097 114.600 114.554 0.238 0.000 2.833 616 T HA -0.097 4.255 4.350 0.004 0.000 0.269 616 T C 0.530 175.318 174.700 0.147 0.000 1.054 616 T CA 1.520 63.757 62.100 0.229 0.000 1.135 616 T CB -0.208 68.855 68.868 0.325 0.000 0.869 616 T HN 0.525 nan 8.240 nan 0.000 0.466 617 D N 0.208 120.709 120.400 0.168 0.000 2.381 617 D HA 0.301 4.943 4.640 0.004 0.000 0.235 617 D C 0.705 176.994 176.300 -0.018 0.000 1.068 617 D CA -0.274 53.765 54.000 0.066 0.000 0.832 617 D CB 1.466 42.378 40.800 0.186 0.000 1.101 617 D HN 0.157 nan 8.370 nan 0.000 0.515 618 S N 2.217 117.795 115.700 -0.203 0.000 2.512 618 S HA 0.275 4.747 4.470 0.004 0.000 0.216 618 S C 1.023 175.566 174.600 -0.095 0.000 1.006 618 S CA -0.003 57.927 58.200 -0.449 0.000 0.915 618 S CB 0.078 62.707 63.200 -0.951 0.000 0.824 618 S HN 0.567 nan 8.310 nan 0.000 0.497 619 A N 4.028 126.818 122.820 -0.049 0.000 2.600 619 A HA 0.314 4.636 4.320 0.004 0.000 0.253 619 A C -2.263 175.356 177.584 0.058 0.000 0.997 619 A CA -0.291 51.736 52.037 -0.016 0.000 0.820 619 A CB -0.636 18.356 19.000 -0.014 0.000 0.888 619 A HN 0.404 nan 8.150 nan 0.000 0.508 620 P HA 0.328 nan 4.420 nan 0.000 0.277 620 P C 0.414 177.780 177.300 0.111 0.000 1.271 620 P CA -0.655 62.531 63.100 0.143 0.000 0.795 620 P CB 0.429 32.200 31.700 0.118 0.000 1.101 621 L N 0.372 121.675 121.223 0.132 0.000 2.456 621 L HA -0.123 4.219 4.340 0.004 0.000 0.266 621 L C 1.302 178.206 176.870 0.055 0.000 1.258 621 L CA 0.475 55.366 54.840 0.084 0.000 0.823 621 L CB -0.605 41.500 42.059 0.076 0.000 1.100 621 L HN 0.605 nan 8.230 nan 0.000 0.531 622 E N -1.174 119.048 120.200 0.038 0.000 3.208 622 E HA -0.315 4.037 4.350 0.004 0.000 0.277 622 E C 0.194 176.797 176.600 0.005 0.000 0.989 622 E CA 1.535 57.947 56.400 0.021 0.000 0.850 622 E CB -1.405 28.308 29.700 0.021 0.000 1.429 622 E HN 0.407 nan 8.360 nan 0.000 0.463 623 M N 1.785 121.386 119.600 0.002 0.000 3.347 623 M HA 0.272 4.755 4.480 0.004 0.000 0.260 623 M C -0.133 176.148 176.300 -0.031 0.000 1.362 623 M CA -0.690 54.591 55.300 -0.032 0.000 1.497 623 M CB 0.500 33.074 32.600 -0.042 0.000 1.080 623 M HN 0.228 nan 8.290 nan 0.000 0.592 624 V N 4.265 124.165 119.914 -0.023 0.000 2.694 624 V HA 0.067 4.189 4.120 0.004 0.000 0.306 624 V C 0.015 176.096 176.094 -0.023 0.000 1.054 624 V CA 0.790 63.094 62.300 0.006 0.000 1.161 624 V CB 0.703 32.561 31.823 0.060 0.000 0.916 624 V HN 0.884 nan 8.190 nan 0.000 0.490 625 E N 4.171 124.384 120.200 0.021 0.000 3.191 625 E HA 0.219 4.571 4.350 0.004 0.000 0.303 625 E C -0.485 176.172 176.600 0.095 0.000 1.197 625 E CA -0.221 56.186 56.400 0.012 0.000 0.901 625 E CB 0.599 30.288 29.700 -0.018 0.000 1.446 625 E HN 0.990 nan 8.360 nan 0.000 0.385 626 T N -0.426 114.208 114.554 0.133 0.000 2.771 626 T HA 0.316 4.669 4.350 0.004 0.000 0.291 626 T C 0.271 175.083 174.700 0.186 0.000 0.954 626 T CA -0.338 61.859 62.100 0.163 0.000 1.045 626 T CB 1.454 70.393 68.868 0.119 0.000 0.917 626 T HN 0.025 nan 8.240 nan 0.000 0.484 627 T N 5.578 120.270 114.554 0.230 0.000 2.737 627 T HA 0.370 4.722 4.350 0.004 0.000 0.296 627 T C 0.327 175.112 174.700 0.142 0.000 0.922 627 T CA -0.344 61.863 62.100 0.178 0.000 1.079 627 T CB -0.359 68.629 68.868 0.198 0.000 0.892 627 T HN 0.578 nan 8.240 nan 0.000 0.514 628 I N 3.676 124.313 120.570 0.112 0.000 2.331 628 I HA 0.342 4.515 4.170 0.004 0.000 0.292 628 I C 0.445 176.575 176.117 0.021 0.000 0.998 628 I CA -0.689 60.667 61.300 0.095 0.000 1.267 628 I CB 1.180 39.270 38.000 0.151 0.000 1.386 628 I HN 0.467 nan 8.210 nan 0.000 0.476 629 Q N 6.418 126.223 119.800 0.009 0.000 2.245 629 Q HA 0.634 4.977 4.340 0.004 0.000 0.256 629 Q C -1.589 174.401 176.000 -0.016 0.000 0.942 629 Q CA -0.683 55.101 55.803 -0.032 0.000 0.896 629 Q CB 1.770 30.490 28.738 -0.030 0.000 1.272 629 Q HN 0.627 nan 8.270 nan 0.000 0.442 630 L N 3.770 124.979 121.223 -0.024 0.000 2.333 630 L HA 0.488 4.831 4.340 0.004 0.000 0.280 630 L C -0.497 176.365 176.870 -0.014 0.000 1.004 630 L CA -0.941 53.892 54.840 -0.012 0.000 0.820 630 L CB 1.811 43.870 42.059 0.002 0.000 1.247 630 L HN 0.629 nan 8.230 nan 0.000 0.416 631 K N 3.303 123.688 120.400 -0.024 0.000 2.436 631 K HA 0.143 4.465 4.320 0.004 0.000 0.275 631 K C -2.293 174.306 176.600 -0.001 0.000 0.999 631 K CA -1.536 54.736 56.287 -0.025 0.000 0.980 631 K CB -0.143 32.321 32.500 -0.060 0.000 0.919 631 K HN 0.254 nan 8.250 nan 0.000 0.484 632 P HA -0.135 nan 4.420 nan 0.000 0.257 632 P C 0.331 177.663 177.300 0.053 0.000 1.162 632 P CA 0.371 63.488 63.100 0.028 0.000 0.762 632 P CB 0.401 32.116 31.700 0.026 0.000 0.753 633 Q N 3.235 123.078 119.800 0.071 0.000 2.248 633 Q HA -0.235 4.108 4.340 0.004 0.000 0.208 633 Q C 1.745 177.824 176.000 0.132 0.000 0.984 633 Q CA 1.972 57.846 55.803 0.118 0.000 0.875 633 Q CB -0.190 28.605 28.738 0.094 0.000 0.910 633 Q HN 0.700 nan 8.270 nan 0.000 0.433 634 E N 0.221 120.475 120.200 0.089 0.000 2.130 634 E HA -0.247 4.105 4.350 0.004 0.000 0.196 634 E C 1.798 178.459 176.600 0.102 0.000 0.998 634 E CA 1.402 57.852 56.400 0.083 0.000 0.806 634 E CB -0.331 29.403 29.700 0.058 0.000 0.738 634 E HN 0.387 nan 8.360 nan 0.000 0.459 635 Q N -0.183 119.673 119.800 0.092 0.000 2.172 635 Q HA -0.055 4.288 4.340 0.004 0.000 0.200 635 Q C 0.225 176.312 176.000 0.146 0.000 0.964 635 Q CA 0.420 56.268 55.803 0.075 0.000 0.855 635 Q CB -0.094 28.650 28.738 0.010 0.000 0.918 635 Q HN 0.383 nan 8.270 nan 0.000 0.444 636 W N 1.455 122.752 121.300 -0.005 0.000 2.170 636 W HA 0.025 4.688 4.660 0.004 0.000 0.342 636 W C 0.531 177.047 176.519 -0.006 0.000 1.294 636 W CA -1.030 56.310 57.345 -0.008 0.000 1.246 636 W CB 0.557 30.009 29.460 -0.013 0.000 1.156 636 W HN -0.063 nan 8.180 nan 0.000 0.572 637 R N 5.274 126.220 120.500 0.743 0.000 2.489 637 R HA 0.088 4.431 4.340 0.004 0.000 0.287 637 R C -1.922 174.360 176.300 -0.029 0.000 1.053 637 R CA -1.757 54.483 56.100 0.232 0.000 1.036 637 R CB 0.103 30.515 30.300 0.188 0.000 0.966 637 R HN 0.116 nan 8.270 nan 0.000 0.432 638 P HA 0.031 nan 4.420 nan 0.000 0.233 638 P C -0.148 177.073 177.300 -0.131 0.000 1.576 638 P CA 0.442 63.505 63.100 -0.062 0.000 0.962 638 P CB -0.193 31.495 31.700 -0.020 0.000 1.859 639 G N 0.410 109.057 108.800 -0.254 0.000 3.596 639 G HA2 0.452 4.415 3.960 0.004 0.000 0.274 639 G HA3 0.452 4.415 3.960 0.004 0.000 0.274 639 G C 0.173 174.887 174.900 -0.310 0.000 1.007 639 G CA -0.218 44.719 45.100 -0.271 0.000 0.825 639 G HN 0.454 nan 8.290 nan 0.000 0.508 640 M N -1.882 117.534 119.600 -0.308 0.000 3.012 640 M HA 0.583 5.066 4.480 0.004 0.000 0.272 640 M C -0.428 175.771 176.300 -0.168 0.000 1.187 640 M CA -0.891 54.256 55.300 -0.254 0.000 0.813 640 M CB 0.974 33.367 32.600 -0.344 0.000 1.626 640 M HN 0.001 nan 8.290 nan 0.000 0.507 641 T N -1.715 112.770 114.554 -0.116 0.000 2.855 641 T HA 0.532 4.885 4.350 0.004 0.000 0.275 641 T C 0.600 175.275 174.700 -0.043 0.000 1.022 641 T CA -0.121 61.943 62.100 -0.061 0.000 0.977 641 T CB 0.878 69.720 68.868 -0.043 0.000 1.559 641 T HN 0.892 nan 8.240 nan 0.000 0.600 642 M N 0.510 120.099 119.600 -0.019 0.000 2.447 642 M HA 0.134 4.616 4.480 0.004 0.000 0.264 642 M C 0.917 177.199 176.300 -0.031 0.000 1.095 642 M CA 1.475 56.770 55.300 -0.010 0.000 1.125 642 M CB -0.847 31.756 32.600 0.004 0.000 1.389 642 M HN 0.550 nan 8.290 nan 0.000 0.459 643 D N 0.275 120.655 120.400 -0.035 0.000 2.183 643 D HA -0.083 4.559 4.640 0.004 0.000 0.203 643 D C 1.732 177.993 176.300 -0.065 0.000 0.969 643 D CA 1.011 54.986 54.000 -0.041 0.000 0.842 643 D CB -0.122 40.663 40.800 -0.026 0.000 0.957 643 D HN 0.319 nan 8.370 nan 0.000 0.484 644 K N 0.561 120.918 120.400 -0.072 0.000 2.031 644 K HA 0.018 4.340 4.320 0.004 0.000 0.205 644 K C 2.059 178.606 176.600 -0.089 0.000 1.049 644 K CA 0.213 56.449 56.287 -0.086 0.000 0.939 644 K CB -0.205 32.230 32.500 -0.108 0.000 0.717 644 K HN 0.027 nan 8.250 nan 0.000 0.438 645 I N 1.333 121.863 120.570 -0.067 0.000 2.087 645 I HA -0.333 3.840 4.170 0.004 0.000 0.240 645 I C 2.121 178.131 176.117 -0.179 0.000 1.054 645 I CA 1.656 62.922 61.300 -0.057 0.000 1.311 645 I CB -0.885 37.109 38.000 -0.010 0.000 1.024 645 I HN 0.143 nan 8.210 nan 0.000 0.402 646 I N 0.351 120.803 120.570 -0.196 0.000 2.208 646 I HA -0.273 3.899 4.170 0.004 0.000 0.245 646 I C 2.530 178.413 176.117 -0.390 0.000 1.097 646 I CA 1.490 62.583 61.300 -0.345 0.000 1.363 646 I CB -0.934 36.966 38.000 -0.166 0.000 1.051 646 I HN 0.266 nan 8.210 nan 0.000 0.413 647 E N 1.057 121.135 120.200 -0.204 0.000 2.106 647 E HA -0.248 4.104 4.350 0.004 0.000 0.192 647 E C 2.010 178.524 176.600 -0.144 0.000 0.984 647 E CA 1.418 57.735 56.400 -0.139 0.000 0.806 647 E CB -0.086 29.567 29.700 -0.078 0.000 0.750 647 E HN 0.476 nan 8.360 nan 0.000 0.458 648 E N -0.446 119.665 120.200 -0.148 0.000 2.031 648 E HA -0.187 4.165 4.350 0.004 0.000 0.193 648 E C 1.890 178.387 176.600 -0.172 0.000 0.994 648 E CA 1.117 57.448 56.400 -0.114 0.000 0.800 648 E CB -0.212 29.447 29.700 -0.068 0.000 0.752 648 E HN 0.176 nan 8.360 nan 0.000 0.447 649 L N 1.493 122.503 121.223 -0.355 0.000 2.021 649 L HA -0.248 4.095 4.340 0.004 0.000 0.215 649 L C 2.203 178.923 176.870 -0.251 0.000 1.074 649 L CA 2.299 56.804 54.840 -0.559 0.000 0.760 649 L CB -1.432 39.716 42.059 -1.520 0.000 0.889 649 L HN 0.334 nan 8.230 nan 0.000 0.433 650 D N -0.463 119.799 120.400 -0.229 0.000 2.104 650 D HA -0.188 4.455 4.640 0.004 0.000 0.194 650 D C 1.752 178.137 176.300 0.143 0.000 0.994 650 D CA 1.268 55.361 54.000 0.154 0.000 0.830 650 D CB 0.128 40.988 40.800 0.100 0.000 0.959 650 D HN 0.282 nan 8.370 nan 0.000 0.452 651 N N -0.935 117.793 118.700 0.046 0.000 2.396 651 N HA -0.051 4.691 4.740 0.004 0.000 0.180 651 N C 1.519 177.059 175.510 0.050 0.000 1.028 651 N CA 0.781 53.859 53.050 0.046 0.000 0.893 651 N CB -0.276 38.221 38.487 0.016 0.000 0.967 651 N HN 0.214 nan 8.380 nan 0.000 0.440 652 T N 0.079 114.657 114.554 0.039 0.000 2.937 652 T HA 0.079 4.432 4.350 0.004 0.000 0.260 652 T C 2.091 176.829 174.700 0.064 0.000 1.051 652 T CA 0.363 62.482 62.100 0.032 0.000 1.141 652 T CB 0.134 68.999 68.868 -0.006 0.000 0.879 652 T HN -0.045 nan 8.240 nan 0.000 0.459 653 V N 0.805 120.799 119.914 0.133 0.000 2.500 653 V HA 0.028 4.151 4.120 0.004 0.000 0.243 653 V C 1.426 177.594 176.094 0.124 0.000 1.039 653 V CA 0.504 62.888 62.300 0.139 0.000 1.053 653 V CB -0.364 31.609 31.823 0.250 0.000 0.695 653 V HN 0.382 nan 8.190 nan 0.000 0.463 654 R N -0.897 119.695 120.500 0.153 0.000 3.835 654 R HA -0.268 4.074 4.340 0.004 0.000 0.455 654 R C 0.557 176.915 176.300 0.097 0.000 0.241 654 R CA 1.394 57.560 56.100 0.110 0.000 1.439 654 R CB -1.807 28.536 30.300 0.072 0.000 0.987 654 R HN 0.454 nan 8.270 nan 0.000 0.570 655 L N -0.983 120.279 121.223 0.065 0.000 2.895 655 L HA -0.145 4.198 4.340 0.004 0.000 0.661 655 L C -2.230 174.669 176.870 0.048 0.000 1.020 655 L CA -0.449 54.422 54.840 0.051 0.000 1.342 655 L CB -1.231 40.859 42.059 0.052 0.000 1.851 655 L HN 0.376 nan 8.230 nan 0.000 0.881 656 P HA 0.305 nan 4.420 nan 0.000 0.272 656 P C 1.065 178.378 177.300 0.022 0.000 1.240 656 P CA 1.176 64.294 63.100 0.029 0.000 0.791 656 P CB 1.219 32.932 31.700 0.023 0.000 0.978 657 G N -0.267 108.542 108.800 0.016 0.000 2.254 657 G HA2 -0.183 3.780 3.960 0.004 0.000 0.225 657 G HA3 -0.183 3.780 3.960 0.004 0.000 0.225 657 G C -0.480 174.424 174.900 0.007 0.000 1.003 657 G CA -0.400 44.706 45.100 0.009 0.000 0.622 657 G HN 0.432 nan 8.290 nan 0.000 0.507 658 L N 1.477 122.708 121.223 0.013 0.000 2.342 658 L HA 0.820 5.162 4.340 0.004 0.000 0.276 658 L C 0.413 177.288 176.870 0.008 0.000 0.997 658 L CA -0.121 54.724 54.840 0.009 0.000 0.838 658 L CB 1.677 43.762 42.059 0.042 0.000 1.224 658 L HN 0.553 nan 8.230 nan 0.000 0.416 659 A N 3.195 125.998 122.820 -0.029 0.000 2.249 659 A HA 0.644 4.967 4.320 0.004 0.000 0.314 659 A C -0.263 177.241 177.584 -0.132 0.000 1.290 659 A CA -0.596 51.420 52.037 -0.036 0.000 0.893 659 A CB -0.032 18.954 19.000 -0.024 0.000 1.165 659 A HN 0.797 nan 8.150 nan 0.000 0.530 660 N N 2.082 120.701 118.700 -0.136 0.000 2.421 660 N HA 0.566 5.309 4.740 0.004 0.000 0.285 660 N C -1.003 174.165 175.510 -0.571 0.000 1.027 660 N CA -0.508 52.289 53.050 -0.421 0.000 0.918 660 N CB 1.557 40.045 38.487 0.003 0.000 1.152 660 N HN 0.532 nan 8.380 nan 0.000 0.485 661 L N 1.999 122.658 121.223 -0.940 0.000 2.365 661 L HA 0.642 4.985 4.340 0.004 0.000 0.273 661 L C -1.591 174.756 176.870 -0.871 0.000 1.000 661 L CA -0.904 53.541 54.840 -0.658 0.000 0.819 661 L CB 1.078 42.882 42.059 -0.425 0.000 1.284 661 L HN 0.729 nan 8.230 nan 0.000 0.418 662 W N 5.753 126.997 121.300 -0.092 0.000 2.471 662 W HA 0.638 5.300 4.660 0.004 0.000 0.318 662 W C -0.582 175.914 176.519 -0.038 0.000 1.034 662 W CA -0.705 56.621 57.345 -0.032 0.000 1.224 662 W CB 1.568 31.049 29.460 0.034 0.000 1.335 662 W HN 0.282 nan 8.180 nan 0.000 0.452 663 V N 0.790 120.775 119.914 0.118 0.000 3.160 663 V HA 0.820 4.942 4.120 0.004 0.000 0.310 663 V C -2.834 173.297 176.094 0.061 0.000 1.181 663 V CA -3.249 59.082 62.300 0.051 0.000 1.047 663 V CB 2.269 34.073 31.823 -0.032 0.000 1.068 663 V HN 0.264 nan 8.190 nan 0.000 0.441 664 P HA 0.474 nan 4.420 nan 0.000 0.301 664 P C -2.454 174.860 177.300 0.023 0.000 1.337 664 P CA -2.238 60.880 63.100 0.031 0.000 0.889 664 P CB 1.936 33.653 31.700 0.028 0.000 1.050 665 P HA -0.121 nan 4.420 nan 0.000 0.215 665 P C 1.505 178.860 177.300 0.093 0.000 1.157 665 P CA 1.506 64.647 63.100 0.069 0.000 0.863 665 P CB 0.114 31.869 31.700 0.091 0.000 0.787 666 I N -0.558 120.070 120.570 0.097 0.000 2.226 666 I HA -0.180 3.993 4.170 0.004 0.000 0.245 666 I C 3.016 179.157 176.117 0.040 0.000 1.100 666 I CA 1.312 62.663 61.300 0.084 0.000 1.374 666 I CB -0.654 37.394 38.000 0.080 0.000 1.057 666 I HN -0.101 nan 8.210 nan 0.000 0.413 667 R N 1.086 121.603 120.500 0.028 0.000 2.092 667 R HA -0.187 4.155 4.340 0.004 0.000 0.231 667 R C 2.282 178.579 176.300 -0.006 0.000 1.119 667 R CA 1.660 57.769 56.100 0.014 0.000 0.970 667 R CB -0.221 30.089 30.300 0.017 0.000 0.864 667 R HN 0.289 nan 8.270 nan 0.000 0.440 668 N N 0.573 119.262 118.700 -0.017 0.000 2.120 668 N HA -0.158 4.584 4.740 0.004 0.000 0.188 668 N C 1.459 176.926 175.510 -0.071 0.000 1.024 668 N CA 1.464 54.483 53.050 -0.052 0.000 0.852 668 N CB 0.033 38.480 38.487 -0.067 0.000 1.003 668 N HN 0.015 nan 8.380 nan 0.000 0.424 669 R N 0.039 120.500 120.500 -0.065 0.000 2.148 669 R HA 0.205 4.547 4.340 0.004 0.000 0.223 669 R C 2.075 178.342 176.300 -0.056 0.000 1.088 669 R CA 0.539 56.587 56.100 -0.085 0.000 0.985 669 R CB -0.292 29.953 30.300 -0.092 0.000 0.880 669 R HN 0.397 nan 8.270 nan 0.000 0.451 670 I N -0.195 120.357 120.570 -0.030 0.000 2.235 670 I HA -0.181 3.991 4.170 0.004 0.000 0.241 670 I C 1.329 177.428 176.117 -0.030 0.000 1.085 670 I CA 1.213 62.503 61.300 -0.016 0.000 1.378 670 I CB -0.341 37.662 38.000 0.004 0.000 1.076 670 I HN 0.052 nan 8.210 nan 0.000 0.415 671 D N 0.874 121.253 120.400 -0.036 0.000 2.149 671 D HA -0.225 4.417 4.640 0.004 0.000 0.194 671 D C 2.311 178.561 176.300 -0.084 0.000 1.001 671 D CA 1.579 55.543 54.000 -0.061 0.000 0.849 671 D CB -0.068 40.695 40.800 -0.063 0.000 0.939 671 D HN 0.232 nan 8.370 nan 0.000 0.449 672 M N -0.396 119.153 119.600 -0.086 0.000 2.099 672 M HA -0.070 4.413 4.480 0.004 0.000 0.262 672 M C 1.306 177.550 176.300 -0.093 0.000 1.067 672 M CA 0.737 55.977 55.300 -0.101 0.000 1.124 672 M CB -0.384 32.146 32.600 -0.117 0.000 1.353 672 M HN 0.109 nan 8.290 nan 0.000 0.410 673 L N -2.054 119.125 121.223 -0.073 0.000 2.718 673 L HA 0.264 4.606 4.340 0.004 0.000 0.242 673 L C 1.116 177.968 176.870 -0.031 0.000 1.203 673 L CA 0.518 55.329 54.840 -0.048 0.000 1.011 673 L CB -1.207 40.843 42.059 -0.016 0.000 1.250 673 L HN -0.043 nan 8.230 nan 0.000 0.437 674 S N -0.553 115.115 115.700 -0.053 0.000 2.811 674 S HA 0.053 4.525 4.470 0.004 0.000 0.237 674 S C 1.640 176.192 174.600 -0.080 0.000 1.038 674 S CA 0.886 59.053 58.200 -0.055 0.000 0.881 674 S CB 0.290 63.450 63.200 -0.066 0.000 0.815 674 S HN 0.728 nan 8.310 nan 0.000 0.582 675 T N -2.779 111.705 114.554 -0.116 0.000 3.058 675 T HA 0.500 4.852 4.350 0.004 0.000 0.247 675 T C 1.449 176.029 174.700 -0.201 0.000 0.987 675 T CA 1.207 63.212 62.100 -0.160 0.000 1.062 675 T CB 0.574 69.320 68.868 -0.204 0.000 1.048 675 T HN 0.651 nan 8.240 nan 0.000 0.468 676 G N 1.358 110.045 108.800 -0.189 0.000 2.316 676 G HA2 -0.071 3.892 3.960 0.004 0.000 0.203 676 G HA3 -0.071 3.892 3.960 0.004 0.000 0.203 676 G C -0.070 174.690 174.900 -0.233 0.000 0.999 676 G CA -0.150 44.856 45.100 -0.157 0.000 0.649 676 G HN 0.525 nan 8.290 nan 0.000 0.489 677 I N 2.779 123.143 120.570 -0.344 0.000 2.416 677 I HA 0.203 4.376 4.170 0.004 0.000 0.288 677 I C 1.773 177.826 176.117 -0.107 0.000 1.051 677 I CA 0.347 61.521 61.300 -0.211 0.000 1.375 677 I CB 1.273 39.120 38.000 -0.256 0.000 1.407 677 I HN 0.531 nan 8.210 nan 0.000 0.516 678 K N 4.287 124.629 120.400 -0.095 0.000 2.103 678 K HA -0.026 4.297 4.320 0.004 0.000 0.204 678 K C 0.778 177.287 176.600 -0.151 0.000 1.052 678 K CA 0.422 56.600 56.287 -0.180 0.000 0.945 678 K CB -0.071 32.237 32.500 -0.320 0.000 0.722 678 K HN 0.592 nan 8.250 nan 0.000 0.443 679 S N 1.009 116.642 115.700 -0.111 0.000 2.617 679 S HA 0.220 4.693 4.470 0.004 0.000 0.269 679 S C -2.028 172.547 174.600 -0.042 0.000 1.292 679 S CA -1.464 56.697 58.200 -0.065 0.000 1.010 679 S CB 1.403 64.593 63.200 -0.015 0.000 0.944 679 S HN -0.109 nan 8.310 nan 0.000 0.536 680 P HA 0.109 nan 4.420 nan 0.000 0.215 680 P C 0.048 177.344 177.300 -0.008 0.000 1.157 680 P CA 0.889 63.980 63.100 -0.015 0.000 0.863 680 P CB -0.004 31.699 31.700 0.006 0.000 0.787 681 I N -0.427 120.146 120.570 0.004 0.000 2.353 681 I HA 0.495 4.667 4.170 0.004 0.000 0.293 681 I C 0.422 176.531 176.117 -0.014 0.000 0.992 681 I CA -0.306 61.000 61.300 0.009 0.000 1.268 681 I CB 1.228 39.239 38.000 0.018 0.000 1.387 681 I HN -0.055 nan 8.210 nan 0.000 0.478 682 G N 7.025 115.791 108.800 -0.057 0.000 2.728 682 G HA2 0.547 4.509 3.960 0.004 0.000 0.294 682 G HA3 0.547 4.509 3.960 0.004 0.000 0.294 682 G C -1.070 173.681 174.900 -0.247 0.000 1.398 682 G CA -0.501 44.514 45.100 -0.141 0.000 1.183 682 G HN 0.439 nan 8.290 nan 0.000 0.578 683 I N 1.505 121.874 120.570 -0.334 0.000 2.499 683 I HA 0.509 4.681 4.170 0.004 0.000 0.296 683 I C 0.060 175.962 176.117 -0.358 0.000 0.992 683 I CA -0.856 60.166 61.300 -0.464 0.000 1.297 683 I CB 2.030 39.680 38.000 -0.583 0.000 1.410 683 I HN 0.168 nan 8.210 nan 0.000 0.507 684 K N 6.167 126.383 120.400 -0.306 0.000 2.616 684 K HA 0.306 4.628 4.320 0.004 0.000 0.241 684 K C -1.651 174.920 176.600 -0.048 0.000 0.961 684 K CA -0.421 55.761 56.287 -0.175 0.000 0.942 684 K CB 1.758 34.085 32.500 -0.289 0.000 1.153 684 K HN 0.501 nan 8.250 nan 0.000 0.452 685 V N 4.034 123.959 119.914 0.018 0.000 2.385 685 V HA 0.419 4.542 4.120 0.004 0.000 0.269 685 V C -0.012 176.104 176.094 0.036 0.000 1.043 685 V CA -0.025 62.271 62.300 -0.006 0.000 0.906 685 V CB 0.952 32.749 31.823 -0.043 0.000 0.995 685 V HN 0.803 nan 8.190 nan 0.000 0.467 686 S N 5.409 121.123 115.700 0.024 0.000 2.730 686 S HA 1.031 5.503 4.470 0.004 0.000 0.284 686 S C 0.143 174.747 174.600 0.006 0.000 1.153 686 S CA 0.024 58.242 58.200 0.030 0.000 0.995 686 S CB 1.687 64.909 63.200 0.036 0.000 1.058 686 S HN 2.161 nan 8.310 nan 0.000 0.552 687 G N -0.835 107.969 108.800 0.006 0.000 2.320 687 G HA2 0.388 4.350 3.960 0.004 0.000 0.297 687 G HA3 0.388 4.350 3.960 0.004 0.000 0.297 687 G C -0.080 174.817 174.900 -0.005 0.000 1.344 687 G CA 0.024 45.122 45.100 -0.004 0.000 0.851 687 G HN 1.180 nan 8.290 nan 0.000 0.567 688 T N -2.571 111.976 114.554 -0.011 0.000 2.964 688 T HA 0.401 4.753 4.350 0.004 0.000 0.249 688 T C 0.973 175.657 174.700 -0.026 0.000 1.000 688 T CA 0.868 62.959 62.100 -0.015 0.000 0.992 688 T CB 0.527 69.388 68.868 -0.012 0.000 1.087 688 T HN 1.508 nan 8.240 nan 0.000 0.489 689 V N 4.703 124.602 119.914 -0.025 0.000 2.368 689 V HA 0.316 4.438 4.120 0.004 0.000 0.266 689 V C 1.290 177.364 176.094 -0.033 0.000 1.045 689 V CA -0.820 61.462 62.300 -0.029 0.000 0.899 689 V CB -0.131 31.677 31.823 -0.025 0.000 1.006 689 V HN 0.284 nan 8.190 nan 0.000 0.470 690 L N 5.833 127.033 121.223 -0.038 0.000 1.978 690 L HA -0.186 4.156 4.340 0.004 0.000 0.218 690 L C 2.605 179.448 176.870 -0.045 0.000 1.075 690 L CA 2.896 57.709 54.840 -0.044 0.000 0.767 690 L CB -1.435 40.599 42.059 -0.043 0.000 0.890 690 L HN 0.838 nan 8.230 nan 0.000 0.434 691 A N -0.931 121.865 122.820 -0.041 0.000 1.969 691 A HA -0.195 4.127 4.320 0.004 0.000 0.218 691 A C 1.918 179.479 177.584 -0.039 0.000 1.169 691 A CA 1.637 53.649 52.037 -0.041 0.000 0.635 691 A CB -0.419 18.559 19.000 -0.036 0.000 0.810 691 A HN 0.394 nan 8.150 nan 0.000 0.445 692 D N 0.268 120.647 120.400 -0.035 0.000 2.078 692 D HA -0.152 4.490 4.640 0.004 0.000 0.193 692 D C 1.880 178.158 176.300 -0.037 0.000 0.990 692 D CA 1.730 55.710 54.000 -0.032 0.000 0.827 692 D CB -0.432 40.352 40.800 -0.027 0.000 0.975 692 D HN 0.654 nan 8.370 nan 0.000 0.451 693 I N -1.462 119.085 120.570 -0.039 0.000 3.241 693 I HA -0.098 4.074 4.170 0.004 0.000 0.280 693 I C 0.854 176.939 176.117 -0.054 0.000 1.320 693 I CA 1.090 62.364 61.300 -0.043 0.000 1.413 693 I CB 0.031 38.009 38.000 -0.037 0.000 1.060 693 I HN -0.263 nan 8.210 nan 0.000 0.500 694 D N 1.942 122.309 120.400 -0.055 0.000 2.162 694 D HA 0.040 4.682 4.640 0.004 0.000 0.205 694 D C 2.444 178.711 176.300 -0.055 0.000 0.964 694 D CA 1.605 55.568 54.000 -0.061 0.000 0.847 694 D CB 0.074 40.838 40.800 -0.060 0.000 0.988 694 D HN 0.462 nan 8.370 nan 0.000 0.480 695 A N 1.191 123.982 122.820 -0.047 0.000 1.851 695 A HA -0.218 4.105 4.320 0.004 0.000 0.216 695 A C 2.178 179.734 177.584 -0.046 0.000 1.195 695 A CA 1.577 53.589 52.037 -0.043 0.000 0.622 695 A CB -0.639 18.339 19.000 -0.036 0.000 0.831 695 A HN 0.122 nan 8.150 nan 0.000 0.444 696 M N -0.524 119.048 119.600 -0.047 0.000 2.089 696 M HA -0.269 4.213 4.480 0.004 0.000 0.257 696 M C 2.485 178.745 176.300 -0.066 0.000 1.071 696 M CA 2.002 57.270 55.300 -0.053 0.000 1.096 696 M CB -1.326 31.243 32.600 -0.053 0.000 1.330 696 M HN 0.535 nan 8.290 nan 0.000 0.403 697 A N -0.087 122.691 122.820 -0.070 0.000 1.877 697 A HA -0.225 4.097 4.320 0.004 0.000 0.216 697 A C 2.019 179.558 177.584 -0.075 0.000 1.186 697 A CA 2.050 54.038 52.037 -0.082 0.000 0.620 697 A CB -0.895 18.054 19.000 -0.085 0.000 0.822 697 A HN 0.691 nan 8.150 nan 0.000 0.443 698 E N -0.084 120.078 120.200 -0.063 0.000 2.085 698 E HA -0.295 4.057 4.350 0.004 0.000 0.194 698 E C 2.008 178.579 176.600 -0.048 0.000 0.994 698 E CA 1.581 57.949 56.400 -0.053 0.000 0.801 698 E CB -0.333 29.339 29.700 -0.046 0.000 0.743 698 E HN 0.778 nan 8.360 nan 0.000 0.453 699 Q N 0.281 120.052 119.800 -0.047 0.000 2.016 699 Q HA -0.104 4.239 4.340 0.004 0.000 0.200 699 Q C 2.517 178.488 176.000 -0.047 0.000 0.978 699 Q CA 1.693 57.471 55.803 -0.042 0.000 0.833 699 Q CB -0.125 28.590 28.738 -0.038 0.000 0.895 699 Q HN 0.429 nan 8.270 nan 0.000 0.427 700 I N 0.914 121.446 120.570 -0.063 0.000 2.361 700 I HA -0.258 3.914 4.170 0.004 0.000 0.251 700 I C 2.495 178.569 176.117 -0.073 0.000 1.133 700 I CA 1.058 62.311 61.300 -0.077 0.000 1.413 700 I CB -0.344 37.586 38.000 -0.117 0.000 1.073 700 I HN 0.316 nan 8.210 nan 0.000 0.424 701 E N 1.566 121.724 120.200 -0.069 0.000 2.038 701 E HA -0.333 4.020 4.350 0.004 0.000 0.195 701 E C 2.027 178.603 176.600 -0.039 0.000 1.000 701 E CA 1.943 58.309 56.400 -0.057 0.000 0.803 701 E CB -0.006 29.662 29.700 -0.053 0.000 0.750 701 E HN 0.435 nan 8.360 nan 0.000 0.448 702 E N 0.272 120.451 120.200 -0.035 0.000 2.017 702 E HA -0.159 4.193 4.350 0.004 0.000 0.193 702 E C 2.066 178.654 176.600 -0.021 0.000 0.997 702 E CA 1.941 58.327 56.400 -0.024 0.000 0.804 702 E CB -0.422 29.264 29.700 -0.023 0.000 0.757 702 E HN 0.209 nan 8.360 nan 0.000 0.448 703 V N 1.084 120.984 119.914 -0.024 0.000 2.688 703 V HA -0.225 3.897 4.120 0.004 0.000 0.256 703 V C 2.320 178.405 176.094 -0.015 0.000 1.084 703 V CA 1.662 63.951 62.300 -0.018 0.000 1.103 703 V CB -0.983 30.828 31.823 -0.019 0.000 0.688 703 V HN 0.472 nan 8.190 nan 0.000 0.480 704 A N 1.374 124.180 122.820 -0.023 0.000 1.968 704 A HA -0.148 4.174 4.320 0.004 0.000 0.217 704 A C 2.340 179.920 177.584 -0.007 0.000 1.169 704 A CA 1.338 53.363 52.037 -0.019 0.000 0.638 704 A CB -0.374 18.602 19.000 -0.040 0.000 0.812 704 A HN 0.640 nan 8.150 nan 0.000 0.446 705 R N 0.307 120.802 120.500 -0.007 0.000 2.313 705 R HA -0.032 4.310 4.340 0.004 0.000 0.199 705 R C 1.253 177.555 176.300 0.003 0.000 0.958 705 R CA 1.523 57.624 56.100 0.000 0.000 1.047 705 R CB -1.144 29.156 30.300 0.000 0.000 0.955 705 R HN 0.442 nan 8.270 nan 0.000 0.481 706 T N -1.828 112.727 114.554 0.001 0.000 3.148 706 T HA 0.169 4.521 4.350 0.004 0.000 0.253 706 T C 0.683 175.386 174.700 0.006 0.000 1.134 706 T CA -0.288 61.814 62.100 0.003 0.000 1.051 706 T CB 0.016 68.884 68.868 0.001 0.000 0.959 706 T HN -0.030 nan 8.240 nan 0.000 0.525 707 V N 4.020 123.939 119.914 0.007 0.000 2.607 707 V HA 0.238 4.360 4.120 0.004 0.000 0.289 707 V C -0.720 175.380 176.094 0.010 0.000 1.053 707 V CA -1.799 60.507 62.300 0.010 0.000 0.996 707 V CB 1.407 33.238 31.823 0.013 0.000 0.995 707 V HN 0.199 nan 8.190 nan 0.000 0.476 708 P HA -0.153 nan 4.420 nan 0.000 0.208 708 P C 1.671 178.979 177.300 0.013 0.000 1.189 708 P CA 1.949 65.056 63.100 0.011 0.000 0.931 708 P CB -0.084 31.622 31.700 0.009 0.000 0.783 709 G N 0.476 109.284 108.800 0.013 0.000 2.545 709 G HA2 -0.204 3.759 3.960 0.004 0.000 0.222 709 G HA3 -0.204 3.759 3.960 0.004 0.000 0.222 709 G C 0.772 175.682 174.900 0.017 0.000 1.126 709 G CA 0.603 45.712 45.100 0.015 0.000 0.754 709 G HN 0.270 nan 8.290 nan 0.000 0.583 710 V N 0.715 120.639 119.914 0.017 0.000 2.763 710 V HA 0.381 4.503 4.120 0.004 0.000 0.306 710 V C 1.311 177.419 176.094 0.023 0.000 1.059 710 V CA 0.499 62.811 62.300 0.019 0.000 1.138 710 V CB 1.229 33.061 31.823 0.015 0.000 0.940 710 V HN 0.408 nan 8.190 nan 0.000 0.489 711 A N 3.735 126.573 122.820 0.030 0.000 1.983 711 A HA 0.326 4.649 4.320 0.004 0.000 0.207 711 A C 0.906 178.512 177.584 0.036 0.000 1.412 711 A CA 0.669 52.728 52.037 0.037 0.000 0.750 711 A CB 0.234 19.266 19.000 0.053 0.000 1.047 711 A HN 0.912 nan 8.150 nan 0.000 0.504 712 S N -0.268 115.454 115.700 0.036 0.000 2.774 712 S HA 0.732 5.205 4.470 0.004 0.000 0.297 712 S C -0.576 174.039 174.600 0.024 0.000 1.143 712 S CA 0.066 58.284 58.200 0.030 0.000 1.090 712 S CB 1.134 64.353 63.200 0.032 0.000 1.019 712 S HN 1.098 nan 8.310 nan 0.000 0.482 713 A N 4.036 126.866 122.820 0.017 0.000 2.267 713 A HA 0.783 5.105 4.320 0.004 0.000 0.315 713 A C -0.685 176.902 177.584 0.005 0.000 1.297 713 A CA -0.670 51.373 52.037 0.010 0.000 0.865 713 A CB 0.621 19.618 19.000 -0.005 0.000 1.165 713 A HN 0.975 nan 8.150 nan 0.000 0.513 714 L N 2.430 123.665 121.223 0.020 0.000 2.341 714 L HA 0.916 5.258 4.340 0.004 0.000 0.267 714 L C -0.254 176.593 176.870 -0.039 0.000 1.009 714 L CA -0.629 54.218 54.840 0.012 0.000 0.819 714 L CB 2.103 44.195 42.059 0.055 0.000 1.323 714 L HN 0.737 nan 8.230 nan 0.000 0.425 715 A N 3.343 126.126 122.820 -0.062 0.000 2.357 715 A HA 0.465 4.788 4.320 0.004 0.000 0.295 715 A C -0.909 176.618 177.584 -0.095 0.000 1.121 715 A CA -0.642 51.327 52.037 -0.114 0.000 0.742 715 A CB 0.847 19.784 19.000 -0.106 0.000 1.181 715 A HN 0.722 nan 8.150 nan 0.000 0.454 716 E N 2.931 123.057 120.200 -0.123 0.000 2.344 716 E HA 0.257 4.610 4.350 0.004 0.000 0.270 716 E C -0.650 175.884 176.600 -0.110 0.000 1.021 716 E CA -0.429 55.913 56.400 -0.097 0.000 0.887 716 E CB 1.010 30.647 29.700 -0.105 0.000 0.997 716 E HN 0.386 nan 8.360 nan 0.000 0.429 717 R N 3.111 123.557 120.500 -0.089 0.000 2.198 717 R HA 0.125 4.467 4.340 0.004 0.000 0.339 717 R C 0.744 176.987 176.300 -0.095 0.000 1.020 717 R CA -0.506 55.541 56.100 -0.088 0.000 0.864 717 R CB 0.989 31.246 30.300 -0.071 0.000 1.105 717 R HN 0.599 nan 8.270 nan 0.000 0.463 718 L N 2.952 124.113 121.223 -0.105 0.000 1.989 718 L HA -0.214 4.128 4.340 0.004 0.000 0.211 718 L C 1.984 178.802 176.870 -0.086 0.000 1.071 718 L CA 1.969 56.748 54.840 -0.102 0.000 0.749 718 L CB -0.466 41.532 42.059 -0.102 0.000 0.890 718 L HN 0.655 nan 8.230 nan 0.000 0.431 719 E N -0.793 119.358 120.200 -0.082 0.000 2.485 719 E HA 0.038 4.390 4.350 0.004 0.000 0.194 719 E C 0.802 177.338 176.600 -0.107 0.000 1.098 719 E CA 0.444 56.792 56.400 -0.087 0.000 0.878 719 E CB -0.424 29.232 29.700 -0.073 0.000 0.939 719 E HN 0.357 nan 8.360 nan 0.000 0.503 720 G N 0.803 109.542 108.800 -0.101 0.000 4.232 720 G HA2 0.497 4.459 3.960 0.004 0.000 0.304 720 G HA3 0.497 4.459 3.960 0.004 0.000 0.304 720 G C -0.391 174.444 174.900 -0.110 0.000 1.295 720 G CA -0.189 44.850 45.100 -0.101 0.000 1.398 720 G HN 0.249 nan 8.290 nan 0.000 0.571 721 G N 0.798 109.494 108.800 -0.172 0.000 2.719 721 G HA2 0.563 4.525 3.960 0.004 0.000 0.298 721 G HA3 0.563 4.525 3.960 0.004 0.000 0.298 721 G C -0.494 174.211 174.900 -0.325 0.000 1.433 721 G CA -0.946 44.046 45.100 -0.180 0.000 1.034 721 G HN 0.392 nan 8.290 nan 0.000 0.517 722 R N 1.437 121.835 120.500 -0.171 0.000 2.297 722 R HA 0.415 4.758 4.340 0.004 0.000 0.308 722 R C -0.835 175.473 176.300 0.013 0.000 1.029 722 R CA -0.316 55.701 56.100 -0.138 0.000 0.929 722 R CB 1.346 31.623 30.300 -0.039 0.000 1.046 722 R HN 0.617 nan 8.270 nan 0.000 0.461 723 Y N 1.566 121.872 120.300 0.010 0.000 2.602 723 Y HA 0.474 5.026 4.550 0.004 0.000 0.330 723 Y C 0.499 176.405 175.900 0.009 0.000 1.114 723 Y CA -1.500 56.607 58.100 0.011 0.000 1.182 723 Y CB 1.850 40.315 38.460 0.009 0.000 1.305 723 Y HN 0.178 nan 8.280 nan 0.000 0.502 724 I N 2.557 123.240 120.570 0.187 0.000 2.390 724 I HA 0.171 4.344 4.170 0.004 0.000 0.283 724 I C -0.942 175.217 176.117 0.070 0.000 1.016 724 I CA -0.773 60.586 61.300 0.099 0.000 1.151 724 I CB 0.737 38.774 38.000 0.062 0.000 1.293 724 I HN 0.568 nan 8.210 nan 0.000 0.458 725 N N 5.556 124.300 118.700 0.073 0.000 2.422 725 N HA 0.221 4.964 4.740 0.004 0.000 0.264 725 N C -0.211 175.311 175.510 0.020 0.000 1.063 725 N CA -0.166 52.911 53.050 0.045 0.000 0.959 725 N CB 2.024 40.549 38.487 0.064 0.000 1.087 725 N HN 0.240 nan 8.380 nan 0.000 0.483 726 V N 3.098 123.012 119.914 0.001 0.000 2.217 726 V HA 0.121 4.244 4.120 0.004 0.000 0.264 726 V C 0.071 176.161 176.094 -0.007 0.000 1.107 726 V CA -0.706 61.591 62.300 -0.004 0.000 0.913 726 V CB -0.077 31.738 31.823 -0.013 0.000 1.153 726 V HN 0.419 nan 8.190 nan 0.000 0.469 727 E N 4.114 124.314 120.200 -0.000 0.000 1.985 727 E HA 0.215 4.567 4.350 0.004 0.000 0.268 727 E C 0.018 176.615 176.600 -0.005 0.000 1.219 727 E CA 0.025 56.425 56.400 -0.000 0.000 0.942 727 E CB 0.915 30.619 29.700 0.006 0.000 1.045 727 E HN 0.574 nan 8.360 nan 0.000 0.413 728 I N 2.832 123.397 120.570 -0.008 0.000 2.406 728 I HA -0.030 4.143 4.170 0.004 0.000 0.293 728 I C 0.946 177.059 176.117 -0.006 0.000 1.101 728 I CA -0.132 61.162 61.300 -0.011 0.000 1.334 728 I CB -0.151 37.842 38.000 -0.010 0.000 1.421 728 I HN 0.235 nan 8.210 nan 0.000 0.513 729 N N 6.159 124.854 118.700 -0.008 0.000 2.416 729 N HA 0.045 4.787 4.740 0.004 0.000 0.265 729 N C 1.285 176.799 175.510 0.007 0.000 1.195 729 N CA -0.366 52.684 53.050 0.001 0.000 0.943 729 N CB 0.606 39.094 38.487 0.002 0.000 1.115 729 N HN 0.452 nan 8.380 nan 0.000 0.481 730 R N 2.473 122.980 120.500 0.012 0.000 2.091 730 R HA -0.170 4.172 4.340 0.004 0.000 0.238 730 R C 1.228 177.546 176.300 0.030 0.000 1.136 730 R CA 1.306 57.417 56.100 0.018 0.000 0.959 730 R CB -0.152 30.158 30.300 0.016 0.000 0.856 730 R HN 0.728 nan 8.270 nan 0.000 0.437 731 E N 1.029 121.249 120.200 0.032 0.000 2.038 731 E HA -0.186 4.167 4.350 0.004 0.000 0.195 731 E C 1.949 178.592 176.600 0.073 0.000 1.000 731 E CA 1.220 57.647 56.400 0.045 0.000 0.803 731 E CB -0.048 29.675 29.700 0.038 0.000 0.750 731 E HN 0.298 nan 8.360 nan 0.000 0.448 732 K N 0.235 120.675 120.400 0.066 0.000 2.281 732 K HA -0.147 4.175 4.320 0.004 0.000 0.203 732 K C 2.005 178.668 176.600 0.105 0.000 1.046 732 K CA 0.919 57.264 56.287 0.096 0.000 0.938 732 K CB -0.062 32.451 32.500 0.021 0.000 0.737 732 K HN 0.065 nan 8.250 nan 0.000 0.458 733 A N 1.376 124.233 122.820 0.061 0.000 1.874 733 A HA 0.002 4.325 4.320 0.004 0.000 0.214 733 A C 2.382 180.044 177.584 0.129 0.000 1.189 733 A CA 1.384 53.457 52.037 0.061 0.000 0.615 733 A CB -0.592 18.427 19.000 0.030 0.000 0.830 733 A HN 0.281 nan 8.150 nan 0.000 0.443 734 A N 0.319 123.200 122.820 0.102 0.000 1.892 734 A HA -0.238 4.084 4.320 0.004 0.000 0.218 734 A C 2.167 179.815 177.584 0.107 0.000 1.188 734 A CA 2.508 54.597 52.037 0.087 0.000 0.631 734 A CB -0.557 18.477 19.000 0.057 0.000 0.822 734 A HN 0.485 nan 8.150 nan 0.000 0.447 735 R N -0.317 120.267 120.500 0.140 0.000 2.113 735 R HA -0.197 4.145 4.340 0.004 0.000 0.244 735 R C 1.161 177.464 176.300 0.004 0.000 1.142 735 R CA 2.203 58.339 56.100 0.061 0.000 0.953 735 R CB -1.213 29.124 30.300 0.062 0.000 0.860 735 R HN 0.634 nan 8.270 nan 0.000 0.438 736 Y N 0.020 120.323 120.300 0.005 0.000 2.496 736 Y HA 0.288 4.840 4.550 0.004 0.000 0.313 736 Y C 1.015 176.922 175.900 0.011 0.000 1.184 736 Y CA -0.186 57.917 58.100 0.005 0.000 1.275 736 Y CB -0.098 38.363 38.460 0.001 0.000 1.103 736 Y HN 0.356 nan 8.280 nan 0.000 0.513 737 G N 2.383 111.261 108.800 0.129 0.000 2.290 737 G HA2 -0.295 3.668 3.960 0.004 0.000 0.270 737 G HA3 -0.295 3.668 3.960 0.004 0.000 0.270 737 G C -0.402 174.554 174.900 0.094 0.000 0.891 737 G CA 0.717 45.868 45.100 0.085 0.000 1.321 737 G HN 0.462 nan 8.290 nan 0.000 0.425 738 M N 0.671 120.327 119.600 0.092 0.000 2.426 738 M HA 0.514 4.996 4.480 0.004 0.000 0.289 738 M C -0.812 175.525 176.300 0.060 0.000 1.168 738 M CA -0.642 54.707 55.300 0.082 0.000 0.933 738 M CB 1.577 34.236 32.600 0.099 0.000 1.750 738 M HN 0.133 nan 8.290 nan 0.000 0.494 739 T N 2.612 117.195 114.554 0.048 0.000 2.902 739 T HA 0.393 4.745 4.350 0.004 0.000 0.283 739 T C 1.429 176.145 174.700 0.026 0.000 1.009 739 T CA -0.545 61.574 62.100 0.032 0.000 1.051 739 T CB 1.530 70.411 68.868 0.022 0.000 0.999 739 T HN 0.635 nan 8.240 nan 0.000 0.474 740 V N 1.563 121.487 119.914 0.017 0.000 2.439 740 V HA -0.222 3.900 4.120 0.004 0.000 0.253 740 V C 2.534 178.629 176.094 0.001 0.000 1.074 740 V CA 2.006 64.311 62.300 0.008 0.000 1.076 740 V CB -1.813 30.012 31.823 0.003 0.000 0.664 740 V HN 0.946 nan 8.190 nan 0.000 0.461 741 A N 2.367 125.186 122.820 -0.003 0.000 1.828 741 A HA -0.234 4.088 4.320 0.004 0.000 0.215 741 A C 1.882 179.449 177.584 -0.028 0.000 1.203 741 A CA 1.907 53.933 52.037 -0.018 0.000 0.614 741 A CB -1.072 17.918 19.000 -0.018 0.000 0.844 741 A HN 0.728 nan 8.150 nan 0.000 0.445 742 D N -0.417 119.972 120.400 -0.017 0.000 2.378 742 D HA 0.037 4.679 4.640 0.004 0.000 0.227 742 D C 1.234 177.559 176.300 0.042 0.000 1.012 742 D CA 0.699 54.677 54.000 -0.037 0.000 0.905 742 D CB -0.381 40.408 40.800 -0.018 0.000 0.895 742 D HN 0.190 nan 8.370 nan 0.000 0.532 743 V N 0.290 120.250 119.914 0.076 0.000 2.446 743 V HA -0.183 3.939 4.120 0.004 0.000 0.244 743 V C 2.424 178.586 176.094 0.114 0.000 1.039 743 V CA 1.372 63.766 62.300 0.156 0.000 1.045 743 V CB -0.557 31.307 31.823 0.068 0.000 0.681 743 V HN 0.152 nan 8.190 nan 0.000 0.459 744 Q N -0.428 119.379 119.800 0.011 0.000 2.291 744 Q HA -0.200 4.142 4.340 0.004 0.000 0.206 744 Q C 2.158 178.103 176.000 -0.092 0.000 0.976 744 Q CA 1.214 56.998 55.803 -0.033 0.000 0.875 744 Q CB -0.279 28.430 28.738 -0.049 0.000 0.927 744 Q HN 0.491 nan 8.270 nan 0.000 0.450 745 L N -0.220 120.897 121.223 -0.177 0.000 2.083 745 L HA -0.133 4.210 4.340 0.004 0.000 0.209 745 L C 1.475 178.106 176.870 -0.398 0.000 1.083 745 L CA 1.720 56.365 54.840 -0.326 0.000 0.752 745 L CB -0.411 41.362 42.059 -0.475 0.000 0.899 745 L HN 0.127 nan 8.230 nan 0.000 0.433 746 F N -2.193 117.661 119.950 -0.161 0.000 2.558 746 F HA -0.044 4.486 4.527 0.004 0.000 0.298 746 F C 2.185 177.825 175.800 -0.267 0.000 1.119 746 F CA 0.566 58.403 58.000 -0.272 0.000 1.451 746 F CB -0.394 38.467 39.000 -0.232 0.000 1.091 746 F HN -0.109 nan 8.300 nan 0.000 0.563 747 V N -0.841 119.055 119.914 -0.030 0.000 2.426 747 V HA -0.165 3.958 4.120 0.004 0.000 0.242 747 V C 2.166 178.210 176.094 -0.083 0.000 1.036 747 V CA 2.109 64.377 62.300 -0.052 0.000 1.044 747 V CB -0.516 31.286 31.823 -0.035 0.000 0.688 747 V HN 0.291 nan 8.190 nan 0.000 0.462 748 T N -0.997 113.497 114.554 -0.100 0.000 2.701 748 T HA -0.166 4.186 4.350 0.004 0.000 0.263 748 T C 2.058 176.701 174.700 -0.096 0.000 1.040 748 T CA 2.050 64.092 62.100 -0.096 0.000 1.147 748 T CB -0.177 68.630 68.868 -0.101 0.000 0.865 748 T HN 0.380 nan 8.240 nan 0.000 0.426 749 S N 0.011 115.633 115.700 -0.129 0.000 2.384 749 S HA 0.292 4.765 4.470 0.004 0.000 0.217 749 S C 2.409 176.937 174.600 -0.119 0.000 1.041 749 S CA 0.657 58.792 58.200 -0.108 0.000 0.948 749 S CB -0.584 62.543 63.200 -0.121 0.000 0.872 749 S HN 0.456 nan 8.310 nan 0.000 0.512 750 A N 1.255 123.925 122.820 -0.251 0.000 1.841 750 A HA -0.071 4.251 4.320 0.004 0.000 0.216 750 A C 2.277 179.744 177.584 -0.194 0.000 1.199 750 A CA 2.092 53.864 52.037 -0.441 0.000 0.621 750 A CB -1.356 16.856 19.000 -1.312 0.000 0.835 750 A HN 0.394 nan 8.150 nan 0.000 0.445 751 V N -0.418 119.395 119.914 -0.169 0.000 2.295 751 V HA -0.125 3.998 4.120 0.004 0.000 0.246 751 V C 2.480 178.568 176.094 -0.010 0.000 1.049 751 V CA 2.015 64.291 62.300 -0.039 0.000 1.024 751 V CB -1.307 30.497 31.823 -0.032 0.000 0.648 751 V HN 0.697 nan 8.190 nan 0.000 0.447 752 G N -1.172 107.606 108.800 -0.037 0.000 2.535 752 G HA2 0.398 4.360 3.960 0.004 0.000 0.210 752 G HA3 0.398 4.360 3.960 0.004 0.000 0.210 752 G C 0.822 175.717 174.900 -0.008 0.000 1.593 752 G CA 0.788 45.873 45.100 -0.025 0.000 0.948 752 G HN 1.080 nan 8.290 nan 0.000 0.476 753 G N -1.455 107.336 108.800 -0.015 0.000 3.829 753 G HA2 0.484 4.446 3.960 0.004 0.000 0.226 753 G HA3 0.484 4.446 3.960 0.004 0.000 0.226 753 G C 0.057 174.958 174.900 0.003 0.000 1.243 753 G CA 0.315 45.418 45.100 0.006 0.000 1.211 753 G HN 1.135 nan 8.290 nan 0.000 0.641 754 A N 1.159 123.971 122.820 -0.014 0.000 2.540 754 A HA 0.530 4.853 4.320 0.004 0.000 0.239 754 A C 0.977 178.570 177.584 0.015 0.000 1.061 754 A CA 0.736 52.767 52.037 -0.010 0.000 0.758 754 A CB -0.175 18.806 19.000 -0.031 0.000 0.991 754 A HN 1.618 nan 8.150 nan 0.000 0.502 755 M N 3.211 122.829 119.600 0.031 0.000 2.220 755 M HA 0.369 4.852 4.480 0.004 0.000 0.343 755 M C 0.171 176.501 176.300 0.049 0.000 1.470 755 M CA -0.036 55.298 55.300 0.057 0.000 1.161 755 M CB 0.931 33.577 32.600 0.077 0.000 1.737 755 M HN 0.331 nan 8.290 nan 0.000 0.464 756 V N 4.113 124.059 119.914 0.053 0.000 3.573 756 V HA 0.454 4.577 4.120 0.004 0.000 0.270 756 V C 0.711 176.832 176.094 0.044 0.000 1.221 756 V CA 1.522 63.844 62.300 0.036 0.000 1.163 756 V CB -0.803 31.038 31.823 0.032 0.000 0.847 756 V HN 1.166 nan 8.190 nan 0.000 0.468 757 G N -0.420 108.421 108.800 0.068 0.000 2.333 757 G HA2 0.264 4.226 3.960 0.004 0.000 0.288 757 G HA3 0.264 4.226 3.960 0.004 0.000 0.288 757 G C -1.607 173.355 174.900 0.103 0.000 1.286 757 G CA -0.667 44.474 45.100 0.068 0.000 0.865 757 G HN 0.200 nan 8.290 nan 0.000 0.506 758 E N 0.045 120.303 120.200 0.097 0.000 2.274 758 E HA 0.431 4.783 4.350 0.004 0.000 0.269 758 E C -0.865 175.801 176.600 0.111 0.000 0.891 758 E CA -0.673 55.802 56.400 0.125 0.000 0.784 758 E CB 2.123 31.888 29.700 0.108 0.000 1.225 758 E HN 0.385 nan 8.360 nan 0.000 0.412 759 T N 1.609 116.246 114.554 0.138 0.000 2.934 759 T HA 0.083 4.435 4.350 0.004 0.000 0.306 759 T C -0.012 174.725 174.700 0.062 0.000 1.042 759 T CA 0.205 62.347 62.100 0.070 0.000 1.145 759 T CB 0.376 69.207 68.868 -0.062 0.000 0.982 759 T HN 0.094 nan 8.240 nan 0.000 0.544 760 V N 4.681 124.609 119.914 0.024 0.000 2.409 760 V HA 0.324 4.446 4.120 0.004 0.000 0.291 760 V C -0.034 175.925 176.094 -0.225 0.000 1.020 760 V CA -0.539 61.696 62.300 -0.108 0.000 0.848 760 V CB 1.640 33.396 31.823 -0.112 0.000 0.990 760 V HN 0.907 nan 8.190 nan 0.000 0.430 761 E N 4.284 124.361 120.200 -0.206 0.000 3.303 761 E HA 0.544 4.897 4.350 0.004 0.000 0.215 761 E C 0.737 177.206 176.600 -0.218 0.000 1.181 761 E CA 0.158 56.454 56.400 -0.173 0.000 0.998 761 E CB 1.354 31.043 29.700 -0.018 0.000 1.312 761 E HN 0.947 nan 8.360 nan 0.000 0.412 762 G N 1.730 110.377 108.800 -0.255 0.000 2.531 762 G HA2 -0.390 3.572 3.960 0.004 0.000 0.274 762 G HA3 -0.390 3.572 3.960 0.004 0.000 0.274 762 G C 0.845 175.620 174.900 -0.210 0.000 1.159 762 G CA 0.159 45.135 45.100 -0.206 0.000 0.969 762 G HN 0.419 nan 8.290 nan 0.000 0.554 763 I N 2.893 123.351 120.570 -0.187 0.000 2.361 763 I HA 0.178 4.350 4.170 0.004 0.000 0.251 763 I C 2.373 178.313 176.117 -0.295 0.000 1.133 763 I CA 1.339 62.535 61.300 -0.174 0.000 1.413 763 I CB -0.557 37.348 38.000 -0.158 0.000 1.073 763 I HN 0.812 nan 8.210 nan 0.000 0.424 764 A N 1.042 123.519 122.820 -0.573 0.000 2.429 764 A HA 0.381 4.703 4.320 0.004 0.000 0.242 764 A C 0.524 177.522 177.584 -0.976 0.000 1.088 764 A CA 0.156 51.389 52.037 -1.340 0.000 0.784 764 A CB 0.248 18.640 19.000 -1.013 0.000 1.038 764 A HN 0.382 nan 8.150 nan 0.000 0.501 765 R N 0.238 119.906 120.500 -1.387 0.000 2.658 765 R HA 0.386 4.728 4.340 0.004 0.000 0.287 765 R C -2.296 173.645 176.300 -0.599 0.000 1.209 765 R CA -0.232 55.502 56.100 -0.610 0.000 1.046 765 R CB 0.792 31.000 30.300 -0.154 0.000 1.247 765 R HN 0.768 nan 8.270 nan 0.000 0.405 766 Y N 4.126 124.415 120.300 -0.018 0.000 2.429 766 Y HA 0.487 5.039 4.550 0.004 0.000 0.342 766 Y C -1.860 174.157 175.900 0.196 0.000 1.004 766 Y CA -2.372 55.805 58.100 0.129 0.000 1.075 766 Y CB 1.547 40.107 38.460 0.168 0.000 1.214 766 Y HN 0.386 nan 8.280 nan 0.000 0.455 767 P HA 0.176 nan 4.420 nan 0.000 0.272 767 P C -0.613 176.858 177.300 0.285 0.000 1.230 767 P CA 0.131 63.382 63.100 0.251 0.000 0.788 767 P CB 1.465 33.286 31.700 0.202 0.000 0.949 768 I N 1.892 122.601 120.570 0.232 0.000 2.390 768 I HA 0.239 4.411 4.170 0.004 0.000 0.283 768 I C 0.706 176.926 176.117 0.172 0.000 1.016 768 I CA -0.698 60.752 61.300 0.251 0.000 1.151 768 I CB 1.011 39.178 38.000 0.278 0.000 1.293 768 I HN 0.276 nan 8.210 nan 0.000 0.458 769 N N 5.506 124.296 118.700 0.149 0.000 2.381 769 N HA 0.565 5.307 4.740 0.004 0.000 0.254 769 N C -1.227 174.344 175.510 0.101 0.000 1.264 769 N CA -0.031 53.080 53.050 0.103 0.000 0.942 769 N CB 1.161 39.696 38.487 0.081 0.000 1.190 769 N HN 0.429 nan 8.380 nan 0.000 0.495 770 L N 1.346 122.613 121.223 0.075 0.000 2.680 770 L HA 0.413 4.755 4.340 0.004 0.000 0.260 770 L C -1.315 175.594 176.870 0.065 0.000 0.975 770 L CA -0.301 54.583 54.840 0.074 0.000 0.920 770 L CB 0.541 42.633 42.059 0.054 0.000 1.234 770 L HN 0.808 nan 8.230 nan 0.000 0.429 771 R N 2.381 122.944 120.500 0.105 0.000 2.739 771 R HA 0.528 4.871 4.340 0.004 0.000 0.271 771 R C -1.327 175.134 176.300 0.267 0.000 1.010 771 R CA -0.925 55.253 56.100 0.130 0.000 0.897 771 R CB 1.139 31.500 30.300 0.102 0.000 1.236 771 R HN 0.276 nan 8.270 nan 0.000 0.466 772 Y N 1.056 121.387 120.300 0.051 0.000 2.379 772 Y HA 0.189 4.741 4.550 0.004 0.000 0.337 772 Y C -1.637 174.356 175.900 0.155 0.000 1.238 772 Y CA -2.091 56.046 58.100 0.062 0.000 1.405 772 Y CB 0.917 39.389 38.460 0.021 0.000 1.310 772 Y HN 0.327 nan 8.280 nan 0.000 0.569 773 P HA -0.095 nan 4.420 nan 0.000 0.269 773 P C 0.092 177.576 177.300 0.308 0.000 1.217 773 P CA 0.209 63.484 63.100 0.291 0.000 0.783 773 P CB 0.521 32.401 31.700 0.301 0.000 0.898 774 Q N 0.825 120.727 119.800 0.170 0.000 2.248 774 Q HA -0.189 4.153 4.340 0.004 0.000 0.208 774 Q C 1.531 177.589 176.000 0.096 0.000 0.984 774 Q CA 1.810 57.686 55.803 0.121 0.000 0.875 774 Q CB -0.299 28.476 28.738 0.062 0.000 0.910 774 Q HN 0.385 nan 8.270 nan 0.000 0.433 775 S N -0.429 115.289 115.700 0.031 0.000 2.402 775 S HA -0.136 4.337 4.470 0.004 0.000 0.229 775 S C 0.620 175.095 174.600 -0.208 0.000 1.021 775 S CA 1.209 59.298 58.200 -0.185 0.000 0.974 775 S CB -0.217 62.730 63.200 -0.421 0.000 0.800 775 S HN 0.573 nan 8.310 nan 0.000 0.484 776 W N 1.575 122.916 121.300 0.068 0.000 3.197 776 W HA 0.273 4.936 4.660 0.004 0.000 0.274 776 W C 0.970 177.547 176.519 0.096 0.000 1.297 776 W CA -0.509 56.891 57.345 0.092 0.000 1.662 776 W CB -0.122 29.433 29.460 0.157 0.000 1.106 776 W HN 0.073 nan 8.180 nan 0.000 0.663 777 R N 0.219 120.880 120.500 0.268 0.000 2.767 777 R HA 0.179 4.521 4.340 0.004 0.000 0.377 777 R C 0.178 176.538 176.300 0.100 0.000 1.151 777 R CA -0.131 56.073 56.100 0.173 0.000 1.046 777 R CB 0.069 30.466 30.300 0.163 0.000 1.404 777 R HN -0.067 nan 8.270 nan 0.000 0.580 778 D N 0.806 121.249 120.400 0.073 0.000 2.201 778 D HA -0.022 4.620 4.640 0.004 0.000 0.209 778 D C 0.768 177.088 176.300 0.034 0.000 0.961 778 D CA 1.204 55.225 54.000 0.036 0.000 0.861 778 D CB 0.489 41.291 40.800 0.005 0.000 0.997 778 D HN 0.298 nan 8.370 nan 0.000 0.486 779 S N -1.893 113.831 115.700 0.039 0.000 2.671 779 S HA 0.444 4.917 4.470 0.004 0.000 0.277 779 S C -2.419 172.205 174.600 0.041 0.000 1.165 779 S CA -1.078 57.142 58.200 0.033 0.000 0.822 779 S CB 1.927 65.139 63.200 0.021 0.000 1.150 779 S HN -0.329 nan 8.310 nan 0.000 0.479 780 P HA -0.169 nan 4.420 nan 0.000 0.215 780 P C 1.630 178.953 177.300 0.038 0.000 1.163 780 P CA 1.771 64.893 63.100 0.037 0.000 0.894 780 P CB -0.011 31.707 31.700 0.030 0.000 0.791 781 Q N 0.009 119.828 119.800 0.031 0.000 2.096 781 Q HA -0.155 4.187 4.340 0.004 0.000 0.204 781 Q C 2.048 178.075 176.000 0.045 0.000 0.982 781 Q CA 2.229 58.050 55.803 0.031 0.000 0.850 781 Q CB -1.431 27.319 28.738 0.019 0.000 0.901 781 Q HN 0.136 nan 8.270 nan 0.000 0.422 782 A N -0.451 122.398 122.820 0.049 0.000 1.978 782 A HA -0.146 4.176 4.320 0.004 0.000 0.220 782 A C 1.872 179.533 177.584 0.129 0.000 1.170 782 A CA 1.502 53.585 52.037 0.076 0.000 0.636 782 A CB -0.512 18.528 19.000 0.066 0.000 0.810 782 A HN 0.418 nan 8.150 nan 0.000 0.448 783 L N -0.782 120.500 121.223 0.100 0.000 2.209 783 L HA 0.036 4.378 4.340 0.004 0.000 0.207 783 L C 2.485 179.399 176.870 0.072 0.000 1.094 783 L CA 1.296 56.194 54.840 0.097 0.000 0.790 783 L CB -0.566 41.532 42.059 0.066 0.000 0.932 783 L HN 0.303 nan 8.230 nan 0.000 0.447 784 R N -0.711 119.823 120.500 0.056 0.000 2.127 784 R HA -0.174 4.169 4.340 0.004 0.000 0.238 784 R C 2.021 178.350 176.300 0.049 0.000 1.134 784 R CA 0.993 57.115 56.100 0.038 0.000 0.975 784 R CB -0.229 30.089 30.300 0.030 0.000 0.865 784 R HN 0.457 nan 8.270 nan 0.000 0.447 785 Q N 0.496 120.347 119.800 0.086 0.000 2.137 785 Q HA 0.022 4.365 4.340 0.004 0.000 0.198 785 Q C 0.905 176.997 176.000 0.155 0.000 0.960 785 Q CA 0.069 55.945 55.803 0.122 0.000 0.847 785 Q CB -0.215 28.616 28.738 0.154 0.000 0.915 785 Q HN 0.269 nan 8.270 nan 0.000 0.448 786 L N 4.933 126.265 121.223 0.182 0.000 2.999 786 L HA -0.097 4.245 4.340 0.004 0.000 0.304 786 L C -2.118 174.764 176.870 0.020 0.000 1.104 786 L CA 0.325 55.264 54.840 0.164 0.000 0.911 786 L CB -0.079 42.046 42.059 0.110 0.000 1.341 786 L HN 0.007 nan 8.230 nan 0.000 0.487 787 P HA 0.248 nan 4.420 nan 0.000 0.271 787 P C -0.758 176.375 177.300 -0.278 0.000 1.216 787 P CA -0.314 62.682 63.100 -0.174 0.000 0.776 787 P CB 1.427 32.929 31.700 -0.329 0.000 0.881 788 I N 2.691 123.053 120.570 -0.347 0.000 2.619 788 I HA 0.309 4.481 4.170 0.004 0.000 0.292 788 I C -0.353 175.560 176.117 -0.340 0.000 1.100 788 I CA -0.611 60.314 61.300 -0.624 0.000 1.043 788 I CB 2.335 39.899 38.000 -0.726 0.000 1.239 788 I HN 0.203 nan 8.210 nan 0.000 0.420 789 L N 5.837 126.905 121.223 -0.258 0.000 2.277 789 L HA 0.500 4.843 4.340 0.004 0.000 0.284 789 L C -0.078 176.820 176.870 0.046 0.000 1.028 789 L CA -0.083 54.735 54.840 -0.037 0.000 0.835 789 L CB 0.764 42.848 42.059 0.042 0.000 1.215 789 L HN 0.630 nan 8.230 nan 0.000 0.425 790 T N 6.236 120.816 114.554 0.044 0.000 2.932 790 T HA 0.069 4.422 4.350 0.004 0.000 0.312 790 T C -1.673 173.083 174.700 0.094 0.000 1.071 790 T CA -0.630 61.524 62.100 0.090 0.000 1.128 790 T CB 0.990 69.933 68.868 0.125 0.000 0.984 790 T HN 0.482 nan 8.240 nan 0.000 0.549 791 P HA -0.044 nan 4.420 nan 0.000 0.220 791 P C 0.935 178.269 177.300 0.056 0.000 1.144 791 P CA 1.226 64.371 63.100 0.075 0.000 0.800 791 P CB -0.013 31.728 31.700 0.068 0.000 0.772 792 M N -2.145 117.489 119.600 0.057 0.000 2.493 792 M HA 0.171 4.653 4.480 0.004 0.000 0.244 792 M C -0.210 176.111 176.300 0.036 0.000 1.182 792 M CA 0.040 55.363 55.300 0.038 0.000 0.981 792 M CB -0.301 32.316 32.600 0.029 0.000 1.551 792 M HN -0.304 nan 8.290 nan 0.000 0.476 793 K N 1.727 122.154 120.400 0.045 0.000 3.239 793 K HA -0.140 4.182 4.320 0.004 0.000 0.270 793 K C -0.855 175.767 176.600 0.037 0.000 1.049 793 K CA 0.689 57.001 56.287 0.040 0.000 0.769 793 K CB -1.750 30.767 32.500 0.029 0.000 1.305 793 K HN 0.565 nan 8.250 nan 0.000 0.469 794 Q N 0.094 119.925 119.800 0.052 0.000 2.266 794 Q HA 0.388 4.730 4.340 0.004 0.000 0.261 794 Q C -0.413 175.615 176.000 0.047 0.000 0.985 794 Q CA -0.863 54.977 55.803 0.062 0.000 0.873 794 Q CB 1.883 30.689 28.738 0.113 0.000 1.306 794 Q HN 0.222 nan 8.270 nan 0.000 0.447 795 Q N 2.988 122.812 119.800 0.039 0.000 2.431 795 Q HA 0.474 4.817 4.340 0.004 0.000 0.249 795 Q C -1.189 174.817 176.000 0.011 0.000 1.025 795 Q CA -0.263 55.543 55.803 0.005 0.000 0.835 795 Q CB 0.573 29.312 28.738 0.003 0.000 1.207 795 Q HN 0.603 nan 8.270 nan 0.000 0.490 796 I N -0.235 120.313 120.570 -0.037 0.000 2.828 796 I HA 0.658 4.830 4.170 0.004 0.000 0.302 796 I C 0.043 176.092 176.117 -0.113 0.000 1.101 796 I CA -1.023 60.245 61.300 -0.053 0.000 1.031 796 I CB 2.126 40.072 38.000 -0.092 0.000 1.231 796 I HN 0.403 nan 8.210 nan 0.000 0.427 797 T N 0.910 115.415 114.554 -0.082 0.000 2.788 797 T HA 0.247 4.600 4.350 0.004 0.000 0.280 797 T C 0.721 175.349 174.700 -0.119 0.000 0.984 797 T CA -0.565 61.492 62.100 -0.072 0.000 0.972 797 T CB 1.460 70.319 68.868 -0.015 0.000 1.039 797 T HN 0.663 nan 8.240 nan 0.000 0.530 798 L N 0.986 122.158 121.223 -0.084 0.000 2.131 798 L HA 0.314 4.656 4.340 0.004 0.000 0.206 798 L C 2.663 179.488 176.870 -0.075 0.000 1.087 798 L CA 1.869 56.654 54.840 -0.091 0.000 0.767 798 L CB -1.625 40.406 42.059 -0.047 0.000 0.917 798 L HN 0.920 nan 8.230 nan 0.000 0.441 799 A N -1.031 121.763 122.820 -0.044 0.000 2.178 799 A HA -0.182 4.141 4.320 0.004 0.000 0.218 799 A C 1.840 179.392 177.584 -0.053 0.000 1.157 799 A CA 1.565 53.583 52.037 -0.032 0.000 0.689 799 A CB -0.652 18.343 19.000 -0.008 0.000 0.787 799 A HN 0.505 nan 8.150 nan 0.000 0.465 800 D N -0.406 119.936 120.400 -0.097 0.000 2.123 800 D HA -0.075 4.567 4.640 0.004 0.000 0.200 800 D C 1.745 177.927 176.300 -0.196 0.000 0.976 800 D CA 2.025 55.937 54.000 -0.146 0.000 0.831 800 D CB -0.040 40.617 40.800 -0.238 0.000 0.974 800 D HN 0.468 nan 8.370 nan 0.000 0.469 801 V N -2.533 117.249 119.914 -0.219 0.000 3.214 801 V HA 0.735 4.857 4.120 0.004 0.000 0.330 801 V C 0.129 176.169 176.094 -0.089 0.000 1.403 801 V CA -0.284 61.906 62.300 -0.183 0.000 1.143 801 V CB -0.086 31.595 31.823 -0.236 0.000 1.098 801 V HN 0.096 nan 8.190 nan 0.000 0.463 802 A N -0.101 122.679 122.820 -0.066 0.000 2.534 802 A HA 0.564 4.886 4.320 0.004 0.000 0.300 802 A C -1.456 176.115 177.584 -0.022 0.000 1.054 802 A CA -0.586 51.430 52.037 -0.035 0.000 0.858 802 A CB 0.779 19.760 19.000 -0.032 0.000 1.333 802 A HN 0.206 nan 8.150 nan 0.000 0.391 803 D N 2.385 122.779 120.400 -0.010 0.000 2.351 803 D HA 0.435 5.077 4.640 0.004 0.000 0.251 803 D C 0.290 176.592 176.300 0.003 0.000 1.137 803 D CA 0.510 54.509 54.000 -0.002 0.000 0.879 803 D CB 1.484 42.286 40.800 0.003 0.000 1.181 803 D HN 0.721 nan 8.370 nan 0.000 0.448 804 I N -1.182 119.392 120.570 0.007 0.000 2.410 804 I HA 0.467 4.639 4.170 0.004 0.000 0.286 804 I C -1.043 175.086 176.117 0.020 0.000 1.009 804 I CA -0.914 60.395 61.300 0.014 0.000 1.111 804 I CB 1.083 39.091 38.000 0.014 0.000 1.262 804 I HN 0.147 nan 8.210 nan 0.000 0.443 805 K N 5.729 126.144 120.400 0.025 0.000 2.378 805 K HA 0.676 4.998 4.320 0.004 0.000 0.252 805 K C -1.014 175.610 176.600 0.040 0.000 0.931 805 K CA -0.935 55.369 56.287 0.028 0.000 0.794 805 K CB 2.543 35.057 32.500 0.024 0.000 1.181 805 K HN 0.397 nan 8.250 nan 0.000 0.425 806 V N 1.823 121.759 119.914 0.037 0.000 3.096 806 V HA 0.292 4.415 4.120 0.004 0.000 0.306 806 V C 0.374 176.492 176.094 0.040 0.000 1.088 806 V CA 0.371 62.697 62.300 0.044 0.000 1.129 806 V CB 0.974 32.815 31.823 0.029 0.000 1.014 806 V HN 1.103 nan 8.190 nan 0.000 0.486 807 S N 1.736 117.462 115.700 0.043 0.000 2.694 807 S HA 0.679 5.151 4.470 0.004 0.000 0.273 807 S C -0.601 173.959 174.600 -0.066 0.000 1.180 807 S CA -0.103 58.102 58.200 0.009 0.000 0.864 807 S CB 1.867 65.092 63.200 0.042 0.000 1.198 807 S HN 1.156 nan 8.310 nan 0.000 0.499 808 T N -2.081 112.396 114.554 -0.128 0.000 2.773 808 T HA 0.986 5.339 4.350 0.004 0.000 0.278 808 T C 0.542 175.022 174.700 -0.367 0.000 1.011 808 T CA -0.261 61.682 62.100 -0.262 0.000 1.014 808 T CB 0.823 69.592 68.868 -0.164 0.000 1.293 808 T HN 2.398 nan 8.240 nan 0.000 0.554 809 G N -0.044 108.507 108.800 -0.416 0.000 2.345 809 G HA2 0.439 4.401 3.960 0.004 0.000 0.285 809 G HA3 0.439 4.401 3.960 0.004 0.000 0.285 809 G C -3.305 171.432 174.900 -0.271 0.000 1.297 809 G CA -0.773 44.136 45.100 -0.318 0.000 0.875 809 G HN 0.746 nan 8.290 nan 0.000 0.506 810 P HA 0.117 nan 4.420 nan 0.000 0.261 810 P C 0.525 177.821 177.300 -0.006 0.000 1.173 810 P CA 0.929 64.015 63.100 -0.022 0.000 0.760 810 P CB 1.607 33.346 31.700 0.064 0.000 0.783 811 S N 3.294 118.978 115.700 -0.027 0.000 2.398 811 S HA 0.162 4.634 4.470 0.004 0.000 0.220 811 S C 0.712 175.327 174.600 0.023 0.000 1.046 811 S CA 0.226 58.428 58.200 0.003 0.000 0.953 811 S CB -0.033 63.145 63.200 -0.036 0.000 0.856 811 S HN 0.582 nan 8.310 nan 0.000 0.506 812 M N 1.599 121.182 119.600 -0.027 0.000 2.371 812 M HA 0.417 4.899 4.480 0.004 0.000 0.287 812 M C -2.369 173.899 176.300 -0.054 0.000 1.149 812 M CA -0.779 54.499 55.300 -0.036 0.000 0.929 812 M CB 1.675 34.210 32.600 -0.108 0.000 1.683 812 M HN 0.105 nan 8.290 nan 0.000 0.470 813 L N 5.229 126.455 121.223 0.004 0.000 2.270 813 L HA 0.453 4.795 4.340 0.004 0.000 0.286 813 L C -0.229 176.661 176.870 0.032 0.000 1.059 813 L CA 0.180 55.022 54.840 0.002 0.000 0.839 813 L CB 0.729 42.807 42.059 0.032 0.000 1.221 813 L HN 0.587 nan 8.230 nan 0.000 0.431 814 K N 2.214 122.572 120.400 -0.071 0.000 2.262 814 K HA 0.437 4.759 4.320 0.004 0.000 0.282 814 K C -0.197 176.380 176.600 -0.038 0.000 1.066 814 K CA -0.226 56.017 56.287 -0.073 0.000 0.901 814 K CB 0.970 33.228 32.500 -0.403 0.000 1.089 814 K HN 0.596 nan 8.250 nan 0.000 0.476 815 T N 0.390 114.982 114.554 0.063 0.000 2.912 815 T HA 0.218 4.570 4.350 0.004 0.000 0.326 815 T C -0.311 174.449 174.700 0.100 0.000 1.080 815 T CA -0.906 61.239 62.100 0.076 0.000 1.000 815 T CB 0.886 69.823 68.868 0.115 0.000 1.008 815 T HN 0.500 nan 8.240 nan 0.000 0.473 816 E N 3.224 123.491 120.200 0.111 0.000 2.130 816 E HA 0.296 4.648 4.350 0.004 0.000 0.284 816 E C -0.196 176.458 176.600 0.089 0.000 1.018 816 E CA -0.427 56.056 56.400 0.139 0.000 0.817 816 E CB 0.085 29.923 29.700 0.231 0.000 1.078 816 E HN 0.703 nan 8.360 nan 0.000 0.396 817 N N 3.806 122.539 118.700 0.055 0.000 2.754 817 N HA -0.288 4.455 4.740 0.004 0.000 0.248 817 N C -0.024 175.501 175.510 0.025 0.000 1.093 817 N CA 0.916 53.977 53.050 0.019 0.000 0.699 817 N CB -1.260 37.237 38.487 0.017 0.000 1.016 817 N HN 0.805 nan 8.380 nan 0.000 0.552 818 A N -1.806 121.040 122.820 0.042 0.000 2.979 818 A HA -0.325 3.998 4.320 0.004 0.000 0.260 818 A C 0.533 178.211 177.584 0.156 0.000 1.282 818 A CA 1.806 53.900 52.037 0.095 0.000 0.971 818 A CB -1.766 17.239 19.000 0.008 0.000 1.124 818 A HN 0.786 nan 8.150 nan 0.000 0.826 819 R N -1.095 119.464 120.500 0.099 0.000 2.534 819 R HA 0.667 5.010 4.340 0.004 0.000 0.301 819 R C -3.295 173.040 176.300 0.057 0.000 0.961 819 R CA -2.209 53.936 56.100 0.076 0.000 0.871 819 R CB 1.192 31.524 30.300 0.054 0.000 1.170 819 R HN 0.096 nan 8.270 nan 0.000 0.446 820 P HA -0.043 nan 4.420 nan 0.000 0.264 820 P C -0.695 176.602 177.300 -0.005 0.000 1.183 820 P CA 0.324 63.424 63.100 -0.001 0.000 0.763 820 P CB 0.922 32.609 31.700 -0.021 0.000 0.807 821 T N 1.624 116.151 114.554 -0.045 0.000 2.916 821 T HA 0.592 4.944 4.350 0.004 0.000 0.292 821 T C -1.055 173.534 174.700 -0.185 0.000 1.055 821 T CA -0.441 61.635 62.100 -0.040 0.000 1.009 821 T CB 0.763 69.681 68.868 0.083 0.000 1.118 821 T HN 0.175 nan 8.240 nan 0.000 0.497 822 S N 1.787 117.425 115.700 -0.103 0.000 2.547 822 S HA 0.760 5.232 4.470 0.004 0.000 0.281 822 S C -1.655 172.976 174.600 0.052 0.000 1.118 822 S CA -0.675 57.425 58.200 -0.166 0.000 0.947 822 S CB 0.546 63.680 63.200 -0.109 0.000 1.053 822 S HN 0.562 nan 8.310 nan 0.000 0.482 823 W N 2.899 124.048 121.300 -0.251 0.000 2.804 823 W HA 0.741 5.404 4.660 0.004 0.000 0.352 823 W C -0.630 175.605 176.519 -0.473 0.000 1.153 823 W CA -1.299 55.826 57.345 -0.367 0.000 1.119 823 W CB 0.439 29.631 29.460 -0.446 0.000 1.448 823 W HN 0.458 nan 8.180 nan 0.000 0.600 824 I N 1.761 122.147 120.570 -0.307 0.000 2.611 824 I HA 0.124 4.297 4.170 0.004 0.000 0.287 824 I C -1.648 174.239 176.117 -0.382 0.000 1.184 824 I CA -1.026 60.061 61.300 -0.355 0.000 1.054 824 I CB 1.480 39.349 38.000 -0.218 0.000 1.257 824 I HN 0.115 nan 8.210 nan 0.000 0.435 825 Y N 6.292 126.569 120.300 -0.039 0.000 2.367 825 Y HA 0.519 5.071 4.550 0.004 0.000 0.342 825 Y C -0.004 175.857 175.900 -0.065 0.000 0.979 825 Y CA -0.794 57.268 58.100 -0.064 0.000 1.161 825 Y CB 0.691 39.114 38.460 -0.063 0.000 1.155 825 Y HN 0.326 nan 8.280 nan 0.000 0.503 826 I N 3.262 123.869 120.570 0.062 0.000 2.392 826 I HA 0.232 4.404 4.170 0.004 0.000 0.295 826 I C -0.486 175.650 176.117 0.032 0.000 0.985 826 I CA -0.405 60.911 61.300 0.027 0.000 1.221 826 I CB 1.418 39.418 38.000 -0.000 0.000 1.366 826 I HN 0.516 nan 8.210 nan 0.000 0.467 827 D N 5.142 125.559 120.400 0.028 0.000 2.505 827 D HA 0.743 5.385 4.640 0.004 0.000 0.250 827 D C -1.319 175.002 176.300 0.034 0.000 1.164 827 D CA -0.240 53.777 54.000 0.029 0.000 0.870 827 D CB 1.296 42.113 40.800 0.028 0.000 1.160 827 D HN 0.624 nan 8.370 nan 0.000 0.549 828 A N 3.810 126.648 122.820 0.030 0.000 2.398 828 A HA 0.620 4.942 4.320 0.004 0.000 0.301 828 A C 0.319 177.918 177.584 0.026 0.000 1.041 828 A CA -0.774 51.280 52.037 0.028 0.000 0.711 828 A CB 1.265 20.276 19.000 0.019 0.000 1.240 828 A HN 0.610 nan 8.150 nan 0.000 0.420 829 R N 0.407 120.924 120.500 0.029 0.000 2.544 829 R HA 0.211 4.554 4.340 0.004 0.000 0.303 829 R C -0.929 175.379 176.300 0.014 0.000 0.939 829 R CA 0.188 56.303 56.100 0.025 0.000 1.102 829 R CB 0.407 30.733 30.300 0.043 0.000 1.440 829 R HN 0.517 nan 8.270 nan 0.000 0.532 830 D N 1.056 121.465 120.400 0.015 0.000 2.431 830 D HA 0.016 4.658 4.640 0.004 0.000 0.235 830 D C 0.646 176.957 176.300 0.018 0.000 0.980 830 D CA 0.276 54.285 54.000 0.014 0.000 0.912 830 D CB 0.225 41.032 40.800 0.012 0.000 1.056 830 D HN 0.004 nan 8.370 nan 0.000 0.494 831 R N 1.438 121.946 120.500 0.014 0.000 2.840 831 R HA 0.060 4.402 4.340 0.004 0.000 0.282 831 R C -0.287 176.013 176.300 0.000 0.000 1.133 831 R CA -0.155 55.955 56.100 0.015 0.000 1.208 831 R CB 0.256 30.564 30.300 0.013 0.000 1.160 831 R HN -0.183 nan 8.270 nan 0.000 0.576 832 D N 0.629 121.031 120.400 0.004 0.000 2.255 832 D HA 0.026 4.668 4.640 0.004 0.000 0.249 832 D C 1.106 177.379 176.300 -0.046 0.000 1.078 832 D CA -0.261 53.709 54.000 -0.049 0.000 0.896 832 D CB 0.850 41.666 40.800 0.026 0.000 1.194 832 D HN 0.423 nan 8.370 nan 0.000 0.429 833 M N 3.844 123.388 119.600 -0.094 0.000 2.065 833 M HA -0.149 4.333 4.480 0.004 0.000 0.259 833 M C 1.800 178.128 176.300 0.046 0.000 1.071 833 M CA 1.636 56.924 55.300 -0.020 0.000 1.109 833 M CB -0.689 31.900 32.600 -0.019 0.000 1.313 833 M HN 0.462 nan 8.290 nan 0.000 0.408 834 V N 0.148 120.117 119.914 0.092 0.000 2.343 834 V HA -0.255 3.867 4.120 0.004 0.000 0.247 834 V C 2.290 178.514 176.094 0.218 0.000 1.051 834 V CA 2.516 64.934 62.300 0.197 0.000 1.036 834 V CB -0.491 31.481 31.823 0.249 0.000 0.654 834 V HN 0.622 nan 8.190 nan 0.000 0.451 835 S N 0.059 115.851 115.700 0.152 0.000 2.359 835 S HA -0.228 4.244 4.470 0.004 0.000 0.223 835 S C 1.902 176.559 174.600 0.095 0.000 1.039 835 S CA 1.819 60.096 58.200 0.128 0.000 1.042 835 S CB -0.649 62.577 63.200 0.043 0.000 0.915 835 S HN 0.519 nan 8.310 nan 0.000 0.439 836 V N 2.398 122.334 119.914 0.037 0.000 2.282 836 V HA -0.203 3.919 4.120 0.004 0.000 0.249 836 V C 2.598 178.669 176.094 -0.039 0.000 1.057 836 V CA 1.881 64.186 62.300 0.007 0.000 1.032 836 V CB -1.332 30.494 31.823 0.006 0.000 0.645 836 V HN 0.593 nan 8.190 nan 0.000 0.447 837 V N -1.272 118.557 119.914 -0.142 0.000 2.594 837 V HA -0.277 3.845 4.120 0.004 0.000 0.253 837 V C 2.298 178.059 176.094 -0.555 0.000 1.069 837 V CA 2.188 64.244 62.300 -0.407 0.000 1.082 837 V CB -1.023 30.298 31.823 -0.837 0.000 0.680 837 V HN 0.658 nan 8.190 nan 0.000 0.469 838 H N 0.489 119.382 119.070 -0.294 0.000 2.363 838 H HA -0.039 4.519 4.556 0.004 0.000 0.301 838 H C 2.146 177.389 175.328 -0.142 0.000 1.074 838 H CA 1.957 57.863 56.048 -0.237 0.000 1.354 838 H CB -0.102 29.571 29.762 -0.148 0.000 1.397 838 H HN 0.516 nan 8.280 nan 0.000 0.516 839 D N 0.726 121.144 120.400 0.030 0.000 2.117 839 D HA -0.090 4.552 4.640 0.004 0.000 0.198 839 D C 2.476 178.786 176.300 0.017 0.000 0.982 839 D CA 0.472 54.484 54.000 0.019 0.000 0.828 839 D CB -0.411 40.400 40.800 0.018 0.000 0.967 839 D HN 0.224 nan 8.370 nan 0.000 0.464 840 L N 0.297 121.535 121.223 0.025 0.000 1.994 840 L HA -0.209 4.133 4.340 0.004 0.000 0.208 840 L C 2.600 179.561 176.870 0.152 0.000 1.071 840 L CA 1.284 56.182 54.840 0.096 0.000 0.745 840 L CB -0.531 41.642 42.059 0.191 0.000 0.892 840 L HN -0.003 nan 8.230 nan 0.000 0.431 841 Q N 0.141 119.980 119.800 0.066 0.000 2.133 841 Q HA -0.272 4.070 4.340 0.004 0.000 0.208 841 Q C 2.163 178.187 176.000 0.039 0.000 0.991 841 Q CA 1.986 57.798 55.803 0.016 0.000 0.867 841 Q CB 0.092 28.545 28.738 -0.475 0.000 0.911 841 Q HN 0.429 nan 8.270 nan 0.000 0.417 842 K N -0.935 119.469 120.400 0.007 0.000 2.098 842 K HA 0.073 4.395 4.320 0.004 0.000 0.203 842 K C 1.923 178.536 176.600 0.022 0.000 1.051 842 K CA 0.736 57.031 56.287 0.014 0.000 0.957 842 K CB 0.012 32.516 32.500 0.008 0.000 0.738 842 K HN 0.122 nan 8.250 nan 0.000 0.447 843 A N 1.126 123.961 122.820 0.026 0.000 2.131 843 A HA -0.118 4.205 4.320 0.004 0.000 0.220 843 A C 1.927 179.522 177.584 0.018 0.000 1.158 843 A CA 1.273 53.321 52.037 0.019 0.000 0.665 843 A CB -0.606 18.405 19.000 0.018 0.000 0.795 843 A HN 0.200 nan 8.150 nan 0.000 0.460 844 I N -1.469 119.120 120.570 0.033 0.000 2.810 844 I HA -0.006 4.166 4.170 0.004 0.000 0.262 844 I C 2.786 178.914 176.117 0.018 0.000 1.131 844 I CA 0.707 62.019 61.300 0.021 0.000 1.453 844 I CB -0.306 37.713 38.000 0.031 0.000 1.161 844 I HN 0.237 nan 8.210 nan 0.000 0.444 845 A N 1.575 124.413 122.820 0.029 0.000 1.978 845 A HA -0.241 4.082 4.320 0.004 0.000 0.220 845 A C 2.165 179.754 177.584 0.010 0.000 1.170 845 A CA 2.235 54.284 52.037 0.020 0.000 0.636 845 A CB -0.617 18.395 19.000 0.021 0.000 0.810 845 A HN 0.670 nan 8.150 nan 0.000 0.448 846 E N -0.597 119.608 120.200 0.008 0.000 2.079 846 E HA 0.013 4.365 4.350 0.004 0.000 0.191 846 E C 1.458 178.059 176.600 0.001 0.000 0.961 846 E CA 0.574 56.977 56.400 0.004 0.000 0.823 846 E CB -0.275 29.428 29.700 0.004 0.000 0.789 846 E HN 0.443 nan 8.360 nan 0.000 0.459 847 K N 0.875 121.275 120.400 -0.000 0.000 2.444 847 K HA 0.177 4.499 4.320 0.004 0.000 0.193 847 K C -0.523 176.072 176.600 -0.008 0.000 1.024 847 K CA 0.089 56.374 56.287 -0.004 0.000 1.077 847 K CB 1.278 33.776 32.500 -0.004 0.000 0.833 847 K HN -0.003 nan 8.250 nan 0.000 0.517 848 V N 2.014 121.923 119.914 -0.008 0.000 2.568 848 V HA 0.122 4.244 4.120 0.004 0.000 0.276 848 V C -0.858 175.229 176.094 -0.012 0.000 1.002 848 V CA -1.029 61.263 62.300 -0.014 0.000 0.879 848 V CB 1.223 33.033 31.823 -0.021 0.000 1.040 848 V HN 0.063 nan 8.190 nan 0.000 0.457 849 Q N 2.767 122.561 119.800 -0.011 0.000 2.373 849 Q HA 0.555 4.898 4.340 0.004 0.000 0.255 849 Q C -0.274 175.718 176.000 -0.013 0.000 0.980 849 Q CA 0.108 55.905 55.803 -0.009 0.000 0.882 849 Q CB 1.081 29.814 28.738 -0.008 0.000 1.249 849 Q HN 0.650 nan 8.270 nan 0.000 0.438 850 L N 1.979 123.195 121.223 -0.011 0.000 2.395 850 L HA 0.283 4.626 4.340 0.004 0.000 0.269 850 L C 0.620 177.482 176.870 -0.013 0.000 1.133 850 L CA -0.519 54.312 54.840 -0.014 0.000 0.812 850 L CB 0.534 42.586 42.059 -0.011 0.000 1.125 850 L HN 0.411 nan 8.230 nan 0.000 0.452 851 K N 2.115 122.505 120.400 -0.016 0.000 2.102 851 K HA 0.396 4.718 4.320 0.004 0.000 0.244 851 K C -2.254 174.339 176.600 -0.012 0.000 1.021 851 K CA -1.537 54.741 56.287 -0.015 0.000 0.913 851 K CB 0.469 32.958 32.500 -0.019 0.000 1.062 851 K HN 0.267 nan 8.250 nan 0.000 0.485 852 P HA 0.080 nan 4.420 nan 0.000 0.274 852 P C 0.150 177.445 177.300 -0.009 0.000 1.231 852 P CA 0.064 63.158 63.100 -0.009 0.000 0.790 852 P CB 0.401 32.096 31.700 -0.008 0.000 0.951 853 G N 0.931 109.727 108.800 -0.007 0.000 2.269 853 G HA2 -0.220 3.742 3.960 0.004 0.000 0.277 853 G HA3 -0.220 3.742 3.960 0.004 0.000 0.277 853 G C -0.038 174.857 174.900 -0.008 0.000 1.008 853 G CA 0.464 45.561 45.100 -0.006 0.000 0.774 853 G HN 0.636 nan 8.290 nan 0.000 0.511 854 T N 0.530 115.079 114.554 -0.009 0.000 2.906 854 T HA 0.618 4.971 4.350 0.004 0.000 0.302 854 T C 0.016 174.708 174.700 -0.012 0.000 1.002 854 T CA 0.223 62.315 62.100 -0.013 0.000 0.988 854 T CB 1.604 70.460 68.868 -0.019 0.000 0.972 854 T HN 0.914 nan 8.240 nan 0.000 0.447 855 S N 2.119 117.813 115.700 -0.010 0.000 2.532 855 S HA 0.858 5.331 4.470 0.004 0.000 0.301 855 S C -0.362 174.226 174.600 -0.021 0.000 1.083 855 S CA -0.773 57.422 58.200 -0.010 0.000 1.025 855 S CB 1.560 64.759 63.200 -0.001 0.000 1.056 855 S HN 0.394 nan 8.310 nan 0.000 0.494 856 V N 1.110 121.006 119.914 -0.030 0.000 2.769 856 V HA 0.935 5.057 4.120 0.004 0.000 0.312 856 V C 0.024 176.089 176.094 -0.049 0.000 1.058 856 V CA -0.373 61.886 62.300 -0.069 0.000 0.952 856 V CB 1.563 33.322 31.823 -0.106 0.000 1.019 856 V HN 1.334 nan 8.190 nan 0.000 0.445 857 A N 2.910 125.671 122.820 -0.098 0.000 2.513 857 A HA 0.766 5.089 4.320 0.004 0.000 0.296 857 A C -1.229 176.294 177.584 -0.100 0.000 1.052 857 A CA -0.519 51.508 52.037 -0.016 0.000 0.714 857 A CB 0.836 19.842 19.000 0.009 0.000 1.279 857 A HN 0.510 nan 8.150 nan 0.000 0.397 858 F N 1.631 121.512 119.950 -0.116 0.000 2.495 858 F HA 0.537 5.066 4.527 0.004 0.000 0.365 858 F C 1.245 176.996 175.800 -0.082 0.000 1.090 858 F CA 0.962 58.870 58.000 -0.154 0.000 1.235 858 F CB 1.509 40.324 39.000 -0.308 0.000 1.119 858 F HN 0.569 nan 8.300 nan 0.000 0.562 859 S N 1.262 116.953 115.700 -0.015 0.000 2.823 859 S HA 0.840 5.312 4.470 0.004 0.000 0.316 859 S C 0.342 174.894 174.600 -0.080 0.000 1.116 859 S CA 0.067 58.213 58.200 -0.090 0.000 0.911 859 S CB 1.022 64.058 63.200 -0.273 0.000 1.276 859 S HN 1.272 nan 8.310 nan 0.000 0.565 860 G N 1.392 110.098 108.800 -0.157 0.000 2.547 860 G HA2 -0.324 3.638 3.960 0.004 0.000 0.271 860 G HA3 -0.324 3.638 3.960 0.004 0.000 0.271 860 G C 0.559 175.367 174.900 -0.155 0.000 1.209 860 G CA 0.975 45.984 45.100 -0.153 0.000 0.959 860 G HN 0.797 nan 8.290 nan 0.000 0.563 861 Q N -0.931 118.789 119.800 -0.132 0.000 2.096 861 Q HA -0.020 4.322 4.340 0.004 0.000 0.204 861 Q C 2.450 178.307 176.000 -0.240 0.000 0.982 861 Q CA 2.681 58.350 55.803 -0.223 0.000 0.850 861 Q CB -0.224 28.477 28.738 -0.061 0.000 0.901 861 Q HN 0.635 nan 8.270 nan 0.000 0.422 862 F N 1.250 121.093 119.950 -0.179 0.000 2.069 862 F HA -0.251 4.278 4.527 0.004 0.000 0.298 862 F C 2.151 177.845 175.800 -0.176 0.000 1.113 862 F CA 2.153 60.068 58.000 -0.142 0.000 1.214 862 F CB -0.330 38.609 39.000 -0.102 0.000 0.978 862 F HN 0.187 nan 8.300 nan 0.000 0.474 863 E N 0.402 120.606 120.200 0.007 0.000 2.130 863 E HA -0.257 4.095 4.350 0.004 0.000 0.196 863 E C 2.118 178.552 176.600 -0.278 0.000 0.998 863 E CA 1.883 58.226 56.400 -0.096 0.000 0.806 863 E CB -0.412 29.264 29.700 -0.039 0.000 0.738 863 E HN 0.596 nan 8.360 nan 0.000 0.459 864 L N 0.563 121.536 121.223 -0.418 0.000 2.313 864 L HA -0.049 4.293 4.340 0.004 0.000 0.214 864 L C 2.529 179.073 176.870 -0.543 0.000 1.119 864 L CA 0.206 54.713 54.840 -0.555 0.000 0.809 864 L CB -0.129 41.398 42.059 -0.886 0.000 0.933 864 L HN 0.272 nan 8.230 nan 0.000 0.449 865 L N -0.533 120.371 121.223 -0.532 0.000 2.156 865 L HA -0.138 4.204 4.340 0.004 0.000 0.208 865 L C 2.479 179.236 176.870 -0.189 0.000 1.095 865 L CA 1.160 55.942 54.840 -0.097 0.000 0.770 865 L CB 0.003 42.000 42.059 -0.104 0.000 0.914 865 L HN 0.270 nan 8.230 nan 0.000 0.439 866 E N -0.286 119.677 120.200 -0.396 0.000 2.047 866 E HA -0.274 4.078 4.350 0.004 0.000 0.191 866 E C 2.167 178.695 176.600 -0.120 0.000 0.987 866 E CA 0.941 57.162 56.400 -0.299 0.000 0.799 866 E CB -0.083 29.406 29.700 -0.351 0.000 0.752 866 E HN 0.380 nan 8.360 nan 0.000 0.449 867 R N 0.786 121.219 120.500 -0.111 0.000 2.117 867 R HA -0.192 4.151 4.340 0.004 0.000 0.243 867 R C 2.112 178.424 176.300 0.020 0.000 1.143 867 R CA 1.329 57.397 56.100 -0.052 0.000 0.968 867 R CB -0.135 30.131 30.300 -0.058 0.000 0.863 867 R HN 0.118 nan 8.270 nan 0.000 0.444 868 A N 0.979 123.828 122.820 0.049 0.000 1.821 868 A HA -0.199 4.123 4.320 0.004 0.000 0.215 868 A C 1.707 179.312 177.584 0.035 0.000 1.214 868 A CA 1.675 53.761 52.037 0.082 0.000 0.608 868 A CB -1.157 17.950 19.000 0.177 0.000 0.862 868 A HN 0.588 nan 8.150 nan 0.000 0.448 869 N N -1.424 117.279 118.700 0.005 0.000 2.204 869 N HA -0.376 4.366 4.740 0.004 0.000 0.192 869 N C 1.917 177.423 175.510 -0.008 0.000 0.938 869 N CA 1.992 55.025 53.050 -0.027 0.000 0.904 869 N CB -0.510 37.948 38.487 -0.050 0.000 1.069 869 N HN 0.687 nan 8.380 nan 0.000 0.711 870 H N 1.097 120.129 119.070 -0.063 0.000 2.252 870 H HA -0.181 4.377 4.556 0.004 0.000 0.292 870 H C 2.110 177.409 175.328 -0.049 0.000 1.082 870 H CA 2.258 58.275 56.048 -0.052 0.000 1.229 870 H CB -0.115 29.619 29.762 -0.046 0.000 1.353 870 H HN 0.035 nan 8.280 nan 0.000 0.488 871 K N 0.687 121.177 120.400 0.150 0.000 2.097 871 K HA -0.078 4.245 4.320 0.004 0.000 0.206 871 K C 2.400 178.974 176.600 -0.043 0.000 1.049 871 K CA 0.801 57.127 56.287 0.066 0.000 0.933 871 K CB -0.634 31.913 32.500 0.080 0.000 0.717 871 K HN 0.226 nan 8.250 nan 0.000 0.442 872 L N 0.613 121.804 121.223 -0.053 0.000 1.994 872 L HA -0.193 4.149 4.340 0.004 0.000 0.208 872 L C 1.576 178.379 176.870 -0.113 0.000 1.071 872 L CA 1.944 56.727 54.840 -0.096 0.000 0.745 872 L CB -0.713 41.285 42.059 -0.103 0.000 0.892 872 L HN 0.125 nan 8.230 nan 0.000 0.431 873 K N 0.686 121.012 120.400 -0.122 0.000 2.009 873 K HA -0.133 4.189 4.320 0.004 0.000 0.210 873 K C 1.779 178.299 176.600 -0.133 0.000 1.049 873 K CA 1.346 57.554 56.287 -0.131 0.000 0.929 873 K CB -1.073 31.345 32.500 -0.138 0.000 0.714 873 K HN 0.470 nan 8.250 nan 0.000 0.440 874 L N -1.072 120.049 121.223 -0.170 0.000 2.737 874 L HA 0.225 4.567 4.340 0.004 0.000 0.246 874 L C 1.725 178.535 176.870 -0.100 0.000 1.153 874 L CA 0.926 55.678 54.840 -0.146 0.000 0.920 874 L CB -0.871 41.073 42.059 -0.193 0.000 1.090 874 L HN -0.013 nan 8.230 nan 0.000 0.430 875 M N -0.571 118.973 119.600 -0.093 0.000 2.435 875 M HA -0.004 4.479 4.480 0.004 0.000 0.265 875 M C 1.865 178.133 176.300 -0.055 0.000 1.104 875 M CA 0.757 56.012 55.300 -0.076 0.000 1.140 875 M CB 0.252 32.795 32.600 -0.094 0.000 1.372 875 M HN 0.388 nan 8.290 nan 0.000 0.456 876 V N -2.035 117.847 119.914 -0.053 0.000 2.358 876 V HA -0.051 4.071 4.120 0.004 0.000 0.246 876 V C -0.851 175.227 176.094 -0.026 0.000 1.047 876 V CA 0.926 63.208 62.300 -0.030 0.000 1.035 876 V CB -2.897 28.909 31.823 -0.029 0.000 0.658 876 V HN 0.256 nan 8.190 nan 0.000 0.452 877 P HA -0.150 nan 4.420 nan 0.000 0.216 877 P C 2.052 179.336 177.300 -0.026 0.000 1.153 877 P CA 1.933 65.009 63.100 -0.040 0.000 0.858 877 P CB -0.147 31.521 31.700 -0.052 0.000 0.789 878 M N -1.531 118.053 119.600 -0.026 0.000 2.091 878 M HA -0.139 4.343 4.480 0.004 0.000 0.259 878 M C 2.107 178.411 176.300 0.006 0.000 1.076 878 M CA 2.309 57.601 55.300 -0.013 0.000 1.111 878 M CB -1.953 30.633 32.600 -0.022 0.000 1.291 878 M HN -0.104 nan 8.290 nan 0.000 0.417 879 T N 2.090 116.646 114.554 0.005 0.000 2.649 879 T HA -0.192 4.160 4.350 0.004 0.000 0.268 879 T C 1.890 176.621 174.700 0.051 0.000 1.036 879 T CA 1.597 63.714 62.100 0.027 0.000 1.157 879 T CB -0.657 68.228 68.868 0.029 0.000 0.861 879 T HN 0.283 nan 8.240 nan 0.000 0.445 880 L N -0.170 121.080 121.223 0.045 0.000 1.994 880 L HA -0.113 4.229 4.340 0.004 0.000 0.208 880 L C 2.852 179.789 176.870 0.111 0.000 1.071 880 L CA 1.102 55.985 54.840 0.071 0.000 0.745 880 L CB -0.607 41.473 42.059 0.035 0.000 0.892 880 L HN 0.251 nan 8.230 nan 0.000 0.431 881 M N -0.199 119.441 119.600 0.067 0.000 2.108 881 M HA -0.216 4.267 4.480 0.004 0.000 0.261 881 M C 2.443 178.831 176.300 0.147 0.000 1.066 881 M CA 1.805 57.160 55.300 0.092 0.000 1.107 881 M CB -1.056 31.561 32.600 0.029 0.000 1.356 881 M HN 0.304 nan 8.290 nan 0.000 0.406 882 I N -0.167 120.460 120.570 0.095 0.000 2.286 882 I HA -0.210 3.963 4.170 0.004 0.000 0.248 882 I C 2.094 178.270 176.117 0.099 0.000 1.115 882 I CA 1.405 62.755 61.300 0.083 0.000 1.392 882 I CB -0.469 37.562 38.000 0.052 0.000 1.065 882 I HN 0.166 nan 8.210 nan 0.000 0.418 883 I N -0.066 120.574 120.570 0.117 0.000 2.233 883 I HA -0.156 4.016 4.170 0.004 0.000 0.243 883 I C 2.217 178.426 176.117 0.154 0.000 1.093 883 I CA 1.447 62.815 61.300 0.114 0.000 1.380 883 I CB -0.718 37.347 38.000 0.108 0.000 1.067 883 I HN 0.393 nan 8.210 nan 0.000 0.413 884 F N 0.269 120.261 119.950 0.071 0.000 2.075 884 F HA -0.210 4.320 4.527 0.004 0.000 0.297 884 F C 2.318 178.202 175.800 0.140 0.000 1.113 884 F CA 2.123 60.188 58.000 0.109 0.000 1.218 884 F CB -0.710 38.352 39.000 0.104 0.000 0.984 884 F HN -0.079 nan 8.300 nan 0.000 0.472 885 V N 0.940 121.033 119.914 0.298 0.000 2.287 885 V HA -0.319 3.803 4.120 0.004 0.000 0.248 885 V C 2.542 178.656 176.094 0.032 0.000 1.053 885 V CA 1.990 64.383 62.300 0.154 0.000 1.027 885 V CB -0.694 31.216 31.823 0.144 0.000 0.646 885 V HN 0.425 nan 8.190 nan 0.000 0.447 886 L N -1.064 120.174 121.223 0.024 0.000 2.275 886 L HA -0.126 4.216 4.340 0.004 0.000 0.215 886 L C 2.207 179.031 176.870 -0.076 0.000 1.119 886 L CA 1.224 56.053 54.840 -0.018 0.000 0.790 886 L CB -0.208 41.844 42.059 -0.010 0.000 0.919 886 L HN 0.361 nan 8.230 nan 0.000 0.443 887 L N -2.204 118.966 121.223 -0.088 0.000 2.127 887 L HA -0.203 4.139 4.340 0.004 0.000 0.203 887 L C 2.365 179.118 176.870 -0.195 0.000 1.080 887 L CA 0.678 55.431 54.840 -0.144 0.000 0.768 887 L CB -0.519 41.511 42.059 -0.050 0.000 0.924 887 L HN 0.112 nan 8.230 nan 0.000 0.444 888 Y N 0.689 120.776 120.300 -0.355 0.000 2.365 888 Y HA -0.298 4.254 4.550 0.004 0.000 0.287 888 Y C 2.234 178.021 175.900 -0.189 0.000 1.162 888 Y CA 1.495 59.406 58.100 -0.316 0.000 1.260 888 Y CB -0.067 38.162 38.460 -0.385 0.000 0.976 888 Y HN 0.145 nan 8.280 nan 0.000 0.548 889 L N -0.790 120.434 121.223 0.003 0.000 2.095 889 L HA -0.007 4.336 4.340 0.004 0.000 0.204 889 L C 2.418 179.183 176.870 -0.175 0.000 1.080 889 L CA 1.552 56.370 54.840 -0.036 0.000 0.759 889 L CB -0.649 41.380 42.059 -0.050 0.000 0.914 889 L HN 0.112 nan 8.230 nan 0.000 0.439 890 A N -0.018 122.550 122.820 -0.420 0.000 1.898 890 A HA -0.134 4.188 4.320 0.004 0.000 0.216 890 A C 1.660 178.851 177.584 -0.655 0.000 1.181 890 A CA 1.912 53.517 52.037 -0.720 0.000 0.620 890 A CB -0.768 17.438 19.000 -1.322 0.000 0.819 890 A HN 0.609 nan 8.150 nan 0.000 0.442 891 F N -3.056 116.855 119.950 -0.065 0.000 2.706 891 F HA 0.364 4.893 4.527 0.004 0.000 0.313 891 F C 1.190 176.930 175.800 -0.099 0.000 1.096 891 F CA 0.088 58.043 58.000 -0.075 0.000 1.219 891 F CB 0.336 39.284 39.000 -0.087 0.000 1.051 891 F HN 0.166 nan 8.300 nan 0.000 0.568 892 R N 1.132 121.619 120.500 -0.021 0.000 4.024 892 R HA -0.276 4.066 4.340 0.004 0.000 0.391 892 R C -0.153 176.028 176.300 -0.200 0.000 1.157 892 R CA 0.934 57.010 56.100 -0.041 0.000 1.215 892 R CB -0.847 29.480 30.300 0.045 0.000 1.738 892 R HN 0.282 nan 8.270 nan 0.000 0.566 893 R N -0.152 120.211 120.500 -0.229 0.000 2.439 893 R HA 0.219 4.561 4.340 0.004 0.000 0.310 893 R C 0.748 176.830 176.300 -0.363 0.000 0.955 893 R CA 0.038 55.993 56.100 -0.241 0.000 0.853 893 R CB 1.680 31.948 30.300 -0.053 0.000 1.171 893 R HN -0.015 nan 8.270 nan 0.000 0.449 894 V N 4.831 124.499 119.914 -0.409 0.000 2.828 894 V HA -0.082 4.041 4.120 0.004 0.000 0.260 894 V C 1.491 177.578 176.094 -0.012 0.000 1.101 894 V CA 2.575 64.751 62.300 -0.206 0.000 1.123 894 V CB -0.629 31.280 31.823 0.144 0.000 0.704 894 V HN 0.916 nan 8.190 nan 0.000 0.493 895 G N 0.823 109.619 108.800 -0.008 0.000 2.552 895 G HA2 -0.280 3.682 3.960 0.004 0.000 0.216 895 G HA3 -0.280 3.682 3.960 0.004 0.000 0.216 895 G C 1.308 176.237 174.900 0.048 0.000 1.240 895 G CA 0.920 46.050 45.100 0.050 0.000 0.796 895 G HN 0.672 nan 8.290 nan 0.000 0.568 896 E N 1.206 121.403 120.200 -0.005 0.000 2.347 896 E HA 0.102 4.454 4.350 0.004 0.000 0.196 896 E C 2.431 179.015 176.600 -0.026 0.000 1.008 896 E CA 0.987 57.336 56.400 -0.085 0.000 0.852 896 E CB -0.397 29.082 29.700 -0.368 0.000 0.783 896 E HN 0.396 nan 8.360 nan 0.000 0.505 897 A N 1.775 124.610 122.820 0.025 0.000 1.898 897 A HA 0.057 4.379 4.320 0.004 0.000 0.214 897 A C 2.244 179.887 177.584 0.098 0.000 1.183 897 A CA 0.664 52.716 52.037 0.025 0.000 0.622 897 A CB -0.605 18.259 19.000 -0.227 0.000 0.824 897 A HN 0.260 nan 8.150 nan 0.000 0.444 898 L N -0.597 120.724 121.223 0.164 0.000 2.156 898 L HA -0.050 4.292 4.340 0.004 0.000 0.208 898 L C 2.149 179.119 176.870 0.167 0.000 1.095 898 L CA 0.694 55.689 54.840 0.258 0.000 0.770 898 L CB -0.068 42.153 42.059 0.271 0.000 0.914 898 L HN 0.256 nan 8.230 nan 0.000 0.439 899 L N -0.398 120.899 121.223 0.125 0.000 2.044 899 L HA -0.205 4.137 4.340 0.004 0.000 0.205 899 L C 2.455 179.392 176.870 0.112 0.000 1.075 899 L CA 1.527 56.435 54.840 0.113 0.000 0.747 899 L CB -0.930 41.189 42.059 0.100 0.000 0.903 899 L HN 0.357 nan 8.230 nan 0.000 0.435 900 I N -0.137 120.488 120.570 0.090 0.000 2.493 900 I HA -0.273 3.899 4.170 0.004 0.000 0.254 900 I C 2.415 178.606 176.117 0.124 0.000 1.160 900 I CA 1.207 62.565 61.300 0.097 0.000 1.445 900 I CB -0.096 37.954 38.000 0.083 0.000 1.086 900 I HN 0.177 nan 8.210 nan 0.000 0.433 901 I N 0.025 120.678 120.570 0.137 0.000 2.361 901 I HA -0.264 3.909 4.170 0.004 0.000 0.251 901 I C 2.339 178.522 176.117 0.111 0.000 1.133 901 I CA 0.989 62.374 61.300 0.142 0.000 1.413 901 I CB 0.017 38.133 38.000 0.194 0.000 1.073 901 I HN 0.142 nan 8.210 nan 0.000 0.424 902 S N -0.290 115.477 115.700 0.111 0.000 2.547 902 S HA -0.143 4.329 4.470 0.004 0.000 0.235 902 S C 2.083 176.748 174.600 0.107 0.000 0.980 902 S CA 1.210 59.455 58.200 0.074 0.000 0.941 902 S CB -0.274 62.986 63.200 0.100 0.000 0.763 902 S HN 0.584 nan 8.310 nan 0.000 0.532 903 S N 0.959 116.758 115.700 0.166 0.000 2.382 903 S HA -0.106 4.366 4.470 0.004 0.000 0.228 903 S C 2.083 176.791 174.600 0.180 0.000 1.027 903 S CA 1.525 59.866 58.200 0.235 0.000 0.991 903 S CB -0.549 62.760 63.200 0.181 0.000 0.823 903 S HN 0.555 nan 8.310 nan 0.000 0.469 904 V N 0.803 120.768 119.914 0.084 0.000 2.343 904 V HA 0.076 4.198 4.120 0.004 0.000 0.247 904 V C -0.804 175.283 176.094 -0.012 0.000 1.051 904 V CA 1.512 63.838 62.300 0.044 0.000 1.036 904 V CB -2.231 29.616 31.823 0.040 0.000 0.654 904 V HN 0.343 nan 8.190 nan 0.000 0.451 905 P HA -0.055 nan 4.420 nan 0.000 0.226 905 P C 1.199 178.348 177.300 -0.252 0.000 1.146 905 P CA 1.448 64.415 63.100 -0.221 0.000 0.773 905 P CB -0.222 31.254 31.700 -0.374 0.000 0.772 906 F N -0.637 119.321 119.950 0.013 0.000 2.387 906 F HA 0.155 4.684 4.527 0.004 0.000 0.294 906 F C 2.395 178.177 175.800 -0.030 0.000 1.093 906 F CA 0.547 58.540 58.000 -0.011 0.000 1.420 906 F CB -1.406 37.571 39.000 -0.038 0.000 1.086 906 F HN -0.122 nan 8.300 nan 0.000 0.531 907 A N 1.034 123.924 122.820 0.116 0.000 1.841 907 A HA -0.169 4.153 4.320 0.004 0.000 0.216 907 A C 2.254 179.825 177.584 -0.022 0.000 1.199 907 A CA 1.770 53.809 52.037 0.003 0.000 0.621 907 A CB -1.237 17.742 19.000 -0.035 0.000 0.835 907 A HN 0.335 nan 8.150 nan 0.000 0.445 908 L N -0.398 120.837 121.223 0.021 0.000 2.034 908 L HA -0.280 4.063 4.340 0.004 0.000 0.217 908 L C 2.532 179.505 176.870 0.172 0.000 1.077 908 L CA 1.736 56.653 54.840 0.128 0.000 0.769 908 L CB -1.051 41.141 42.059 0.220 0.000 0.890 908 L HN 0.278 nan 8.230 nan 0.000 0.435 909 V N 0.330 120.346 119.914 0.170 0.000 2.287 909 V HA -0.237 3.885 4.120 0.004 0.000 0.248 909 V C 2.678 178.964 176.094 0.319 0.000 1.053 909 V CA 2.142 64.602 62.300 0.267 0.000 1.027 909 V CB -1.408 30.571 31.823 0.259 0.000 0.646 909 V HN 0.595 nan 8.190 nan 0.000 0.447 910 G N -0.080 108.813 108.800 0.155 0.000 2.446 910 G HA2 -0.176 3.787 3.960 0.004 0.000 0.217 910 G HA3 -0.176 3.787 3.960 0.004 0.000 0.217 910 G C 1.615 176.572 174.900 0.095 0.000 1.168 910 G CA 1.055 46.203 45.100 0.081 0.000 0.771 910 G HN 0.596 nan 8.290 nan 0.000 0.551 911 G N 0.670 109.462 108.800 -0.013 0.000 2.404 911 G HA2 -0.148 3.815 3.960 0.004 0.000 0.215 911 G HA3 -0.148 3.815 3.960 0.004 0.000 0.215 911 G C 1.754 176.713 174.900 0.098 0.000 1.174 911 G CA 0.617 45.663 45.100 -0.091 0.000 0.780 911 G HN 0.399 nan 8.290 nan 0.000 0.537 912 I N -0.994 119.707 120.570 0.218 0.000 2.530 912 I HA -0.159 4.013 4.170 0.004 0.000 0.257 912 I C 2.311 178.543 176.117 0.190 0.000 1.179 912 I CA 0.978 62.452 61.300 0.289 0.000 1.440 912 I CB 0.019 38.173 38.000 0.258 0.000 1.087 912 I HN 0.363 nan 8.210 nan 0.000 0.440 913 W N -0.265 121.122 121.300 0.144 0.000 2.441 913 W HA -0.144 4.518 4.660 0.004 0.000 0.302 913 W C 2.226 178.898 176.519 0.255 0.000 1.191 913 W CA 0.436 57.896 57.345 0.191 0.000 1.327 913 W CB -0.427 29.104 29.460 0.118 0.000 1.128 913 W HN 0.067 nan 8.180 nan 0.000 0.522 914 L N 0.402 121.844 121.223 0.366 0.000 2.187 914 L HA -0.164 4.178 4.340 0.004 0.000 0.213 914 L C 1.948 178.912 176.870 0.156 0.000 1.100 914 L CA 1.723 56.691 54.840 0.214 0.000 0.765 914 L CB -0.941 41.132 42.059 0.023 0.000 0.904 914 L HN 0.033 nan 8.230 nan 0.000 0.437 915 L N -2.202 119.117 121.223 0.161 0.000 2.046 915 L HA -0.248 4.094 4.340 0.004 0.000 0.208 915 L C 2.360 179.302 176.870 0.120 0.000 1.077 915 L CA 1.808 56.719 54.840 0.119 0.000 0.747 915 L CB -0.667 41.509 42.059 0.195 0.000 0.896 915 L HN 0.544 nan 8.230 nan 0.000 0.432 916 W N 0.414 121.725 121.300 0.018 0.000 2.378 916 W HA -0.255 4.407 4.660 0.004 0.000 0.313 916 W C 2.573 179.129 176.519 0.061 0.000 1.197 916 W CA 1.308 58.641 57.345 -0.020 0.000 1.304 916 W CB -0.644 28.762 29.460 -0.090 0.000 1.148 916 W HN 0.268 nan 8.180 nan 0.000 0.494 917 W N 0.823 122.155 121.300 0.053 0.000 2.308 917 W HA -0.271 4.392 4.660 0.004 0.000 0.301 917 W C 1.121 177.444 176.519 -0.326 0.000 1.220 917 W CA 1.847 59.091 57.345 -0.169 0.000 1.240 917 W CB -0.644 28.862 29.460 0.078 0.000 1.142 917 W HN -0.028 nan 8.180 nan 0.000 0.521 918 M N 0.366 119.787 119.600 -0.298 0.000 2.419 918 M HA 0.209 4.691 4.480 0.004 0.000 0.252 918 M C 1.445 177.574 176.300 -0.284 0.000 1.143 918 M CA 0.742 55.758 55.300 -0.474 0.000 0.985 918 M CB -0.151 31.935 32.600 -0.856 0.000 1.489 918 M HN 0.073 nan 8.290 nan 0.000 0.484 919 G N 1.022 109.632 108.800 -0.316 0.000 2.296 919 G HA2 -0.272 3.690 3.960 0.004 0.000 0.282 919 G HA3 -0.272 3.690 3.960 0.004 0.000 0.282 919 G C -0.089 174.756 174.900 -0.091 0.000 1.014 919 G CA 0.040 44.990 45.100 -0.249 0.000 0.812 919 G HN 0.348 nan 8.290 nan 0.000 0.508 920 F N 0.123 119.911 119.950 -0.270 0.000 2.410 920 F HA 0.523 5.053 4.527 0.004 0.000 0.334 920 F C 1.223 176.843 175.800 -0.301 0.000 1.134 920 F CA -1.120 56.754 58.000 -0.211 0.000 1.227 920 F CB 0.567 39.531 39.000 -0.061 0.000 1.194 920 F HN 0.185 nan 8.300 nan 0.000 0.571 921 H N 1.291 120.432 119.070 0.119 0.000 2.499 921 H HA 0.328 4.886 4.556 0.004 0.000 0.340 921 H C -0.465 174.894 175.328 0.052 0.000 1.148 921 H CA -1.006 55.078 56.048 0.059 0.000 1.215 921 H CB 0.994 30.765 29.762 0.014 0.000 1.529 921 H HN 0.233 nan 8.280 nan 0.000 0.510 922 L N 3.345 124.656 121.223 0.148 0.000 2.638 922 L HA 0.041 4.383 4.340 0.004 0.000 0.273 922 L C 0.149 177.040 176.870 0.034 0.000 1.147 922 L CA 0.679 55.548 54.840 0.049 0.000 0.941 922 L CB -1.248 40.804 42.059 -0.011 0.000 1.251 922 L HN 0.751 nan 8.230 nan 0.000 0.479 923 S N 1.862 117.565 115.700 0.006 0.000 2.634 923 S HA 0.436 4.909 4.470 0.004 0.000 0.296 923 S C 0.948 175.491 174.600 -0.095 0.000 1.104 923 S CA -0.941 57.239 58.200 -0.034 0.000 0.920 923 S CB 1.948 65.132 63.200 -0.025 0.000 1.111 923 S HN 0.170 nan 8.310 nan 0.000 0.493 924 V N 0.992 120.814 119.914 -0.154 0.000 2.982 924 V HA -0.149 3.973 4.120 0.004 0.000 0.265 924 V C 2.530 178.463 176.094 -0.268 0.000 1.122 924 V CA 2.185 64.358 62.300 -0.211 0.000 1.143 924 V CB -1.891 29.788 31.823 -0.239 0.000 0.726 924 V HN 0.955 nan 8.190 nan 0.000 0.507 925 A N 1.126 123.900 122.820 -0.076 0.000 1.840 925 A HA -0.172 4.151 4.320 0.004 0.000 0.214 925 A C 2.574 180.135 177.584 -0.039 0.000 1.198 925 A CA 2.155 54.196 52.037 0.007 0.000 0.608 925 A CB -1.094 17.968 19.000 0.103 0.000 0.839 925 A HN 0.585 nan 8.150 nan 0.000 0.443 926 T N -2.082 112.487 114.554 0.025 0.000 2.684 926 T HA -0.070 4.282 4.350 0.004 0.000 0.267 926 T C 1.934 176.724 174.700 0.149 0.000 1.036 926 T CA 1.932 64.120 62.100 0.146 0.000 1.148 926 T CB -1.220 67.747 68.868 0.164 0.000 0.863 926 T HN 0.517 nan 8.240 nan 0.000 0.436 927 G N 0.904 109.650 108.800 -0.089 0.000 2.485 927 G HA2 -0.178 3.784 3.960 0.004 0.000 0.221 927 G HA3 -0.178 3.784 3.960 0.004 0.000 0.221 927 G C 1.653 176.518 174.900 -0.059 0.000 1.115 927 G CA 1.451 46.458 45.100 -0.154 0.000 0.751 927 G HN 0.590 nan 8.290 nan 0.000 0.567 928 T N 0.435 114.904 114.554 -0.142 0.000 2.978 928 T HA 0.086 4.438 4.350 0.004 0.000 0.262 928 T C 2.502 177.244 174.700 0.071 0.000 1.063 928 T CA 0.965 63.000 62.100 -0.108 0.000 1.140 928 T CB -0.199 68.411 68.868 -0.431 0.000 0.886 928 T HN 0.324 nan 8.240 nan 0.000 0.470 929 G N 0.471 109.315 108.800 0.073 0.000 2.422 929 G HA2 -0.099 3.863 3.960 0.004 0.000 0.218 929 G HA3 -0.099 3.863 3.960 0.004 0.000 0.218 929 G C 1.175 176.098 174.900 0.038 0.000 1.140 929 G CA 0.271 45.394 45.100 0.040 0.000 0.775 929 G HN 0.385 nan 8.290 nan 0.000 0.545 930 F N 0.931 120.857 119.950 -0.040 0.000 2.098 930 F HA 0.112 4.642 4.527 0.004 0.000 0.294 930 F C 2.605 178.401 175.800 -0.006 0.000 1.107 930 F CA 0.439 58.424 58.000 -0.025 0.000 1.234 930 F CB -0.190 38.793 39.000 -0.028 0.000 1.002 930 F HN -0.008 nan 8.300 nan 0.000 0.472 931 I N -0.034 120.671 120.570 0.224 0.000 2.567 931 I HA -0.243 3.929 4.170 0.004 0.000 0.257 931 I C 2.374 178.632 176.117 0.235 0.000 1.184 931 I CA 1.375 62.793 61.300 0.198 0.000 1.451 931 I CB -1.838 36.257 38.000 0.158 0.000 1.089 931 I HN 0.098 nan 8.210 nan 0.000 0.441 932 A N 0.528 123.399 122.820 0.085 0.000 1.943 932 A HA -0.036 4.286 4.320 0.004 0.000 0.213 932 A C 2.377 179.883 177.584 -0.131 0.000 1.181 932 A CA 0.329 52.245 52.037 -0.201 0.000 0.653 932 A CB -0.518 18.159 19.000 -0.538 0.000 0.833 932 A HN 0.342 nan 8.150 nan 0.000 0.451 933 L N -0.225 120.934 121.223 -0.106 0.000 2.012 933 L HA -0.228 4.114 4.340 0.004 0.000 0.210 933 L C 2.878 179.711 176.870 -0.062 0.000 1.073 933 L CA 1.586 56.352 54.840 -0.123 0.000 0.748 933 L CB -0.408 41.526 42.059 -0.210 0.000 0.891 933 L HN 0.419 nan 8.230 nan 0.000 0.431 934 A N -0.109 122.704 122.820 -0.012 0.000 1.958 934 A HA -0.237 4.086 4.320 0.004 0.000 0.221 934 A C 2.275 179.873 177.584 0.024 0.000 1.178 934 A CA 1.921 53.971 52.037 0.023 0.000 0.642 934 A CB -1.501 17.533 19.000 0.056 0.000 0.816 934 A HN 0.586 nan 8.150 nan 0.000 0.453 935 G N -0.991 107.817 108.800 0.013 0.000 2.446 935 G HA2 -0.152 3.811 3.960 0.004 0.000 0.217 935 G HA3 -0.152 3.811 3.960 0.004 0.000 0.217 935 G C 1.657 176.557 174.900 0.001 0.000 1.168 935 G CA 1.533 46.639 45.100 0.009 0.000 0.771 935 G HN 0.885 nan 8.290 nan 0.000 0.551 936 V N 0.584 120.487 119.914 -0.018 0.000 2.649 936 V HA 0.316 4.438 4.120 0.004 0.000 0.248 936 V C 2.961 179.076 176.094 0.034 0.000 1.054 936 V CA 1.804 64.102 62.300 -0.004 0.000 1.073 936 V CB -0.304 31.498 31.823 -0.034 0.000 0.699 936 V HN 0.420 nan 8.190 nan 0.000 0.463 937 A N 0.521 123.350 122.820 0.016 0.000 1.908 937 A HA -0.038 4.285 4.320 0.004 0.000 0.218 937 A C 2.431 180.072 177.584 0.096 0.000 1.181 937 A CA 2.203 54.262 52.037 0.038 0.000 0.627 937 A CB -1.041 17.964 19.000 0.009 0.000 0.818 937 A HN 0.957 nan 8.150 nan 0.000 0.445 938 A N -0.770 122.097 122.820 0.079 0.000 2.014 938 A HA -0.098 4.224 4.320 0.004 0.000 0.218 938 A C 1.977 179.616 177.584 0.092 0.000 1.163 938 A CA 1.511 53.603 52.037 0.091 0.000 0.652 938 A CB -0.414 18.631 19.000 0.075 0.000 0.808 938 A HN 0.667 nan 8.150 nan 0.000 0.449 939 E N -1.046 119.202 120.200 0.080 0.000 2.051 939 E HA -0.196 4.156 4.350 0.004 0.000 0.192 939 E C 1.713 178.364 176.600 0.085 0.000 0.991 939 E CA 1.222 57.660 56.400 0.062 0.000 0.799 939 E CB -0.230 29.495 29.700 0.041 0.000 0.748 939 E HN 0.637 nan 8.360 nan 0.000 0.449 940 F N 0.474 120.420 119.950 -0.007 0.000 2.234 940 F HA -0.019 4.511 4.527 0.004 0.000 0.299 940 F C 1.965 177.766 175.800 0.002 0.000 1.087 940 F CA 1.537 59.530 58.000 -0.011 0.000 1.340 940 F CB -0.136 38.846 39.000 -0.030 0.000 1.031 940 F HN 0.057 nan 8.300 nan 0.000 0.500 941 G N -0.886 108.047 108.800 0.222 0.000 2.534 941 G HA2 -0.108 3.855 3.960 0.004 0.000 0.217 941 G HA3 -0.108 3.855 3.960 0.004 0.000 0.217 941 G C 1.496 176.424 174.900 0.046 0.000 1.128 941 G CA 0.914 46.100 45.100 0.144 0.000 0.784 941 G HN 0.317 nan 8.290 nan 0.000 0.542 942 V N -0.014 119.924 119.914 0.041 0.000 2.878 942 V HA -0.026 4.096 4.120 0.004 0.000 0.250 942 V C 2.610 178.702 176.094 -0.005 0.000 1.075 942 V CA 1.145 63.481 62.300 0.060 0.000 1.096 942 V CB 0.706 32.578 31.823 0.081 0.000 0.724 942 V HN 0.265 nan 8.190 nan 0.000 0.467 943 V N -0.430 119.432 119.914 -0.088 0.000 2.446 943 V HA -0.140 3.983 4.120 0.004 0.000 0.244 943 V C 2.293 178.343 176.094 -0.074 0.000 1.039 943 V CA 1.599 63.836 62.300 -0.106 0.000 1.045 943 V CB 0.080 31.801 31.823 -0.171 0.000 0.681 943 V HN 0.359 nan 8.190 nan 0.000 0.459 944 M N -0.435 119.060 119.600 -0.176 0.000 2.159 944 M HA -0.083 4.399 4.480 0.004 0.000 0.263 944 M C 2.199 178.447 176.300 -0.086 0.000 1.063 944 M CA 1.673 56.905 55.300 -0.113 0.000 1.110 944 M CB -1.088 31.448 32.600 -0.108 0.000 1.374 944 M HN 0.375 nan 8.290 nan 0.000 0.411 945 L N 0.955 122.093 121.223 -0.142 0.000 2.044 945 L HA -0.182 4.160 4.340 0.004 0.000 0.205 945 L C 2.457 179.208 176.870 -0.198 0.000 1.075 945 L CA 1.883 56.557 54.840 -0.277 0.000 0.747 945 L CB -0.894 40.964 42.059 -0.335 0.000 0.903 945 L HN 0.407 nan 8.230 nan 0.000 0.435 946 M N -1.962 117.587 119.600 -0.085 0.000 2.065 946 M HA -0.286 4.196 4.480 0.004 0.000 0.259 946 M C 2.342 178.632 176.300 -0.017 0.000 1.069 946 M CA 2.156 57.436 55.300 -0.034 0.000 1.110 946 M CB -1.415 31.154 32.600 -0.051 0.000 1.328 946 M HN 0.041 nan 8.290 nan 0.000 0.405 947 Y N 1.436 121.717 120.300 -0.031 0.000 2.181 947 Y HA -0.189 4.364 4.550 0.004 0.000 0.288 947 Y C 2.366 178.312 175.900 0.076 0.000 1.146 947 Y CA 1.497 59.597 58.100 -0.001 0.000 1.164 947 Y CB -0.217 38.215 38.460 -0.047 0.000 0.982 947 Y HN 0.460 nan 8.280 nan 0.000 0.515 948 L N -1.073 120.270 121.223 0.200 0.000 2.418 948 L HA 0.109 4.451 4.340 0.004 0.000 0.218 948 L C 1.802 178.769 176.870 0.160 0.000 1.125 948 L CA 1.213 56.158 54.840 0.174 0.000 0.835 948 L CB -0.925 41.211 42.059 0.129 0.000 0.953 948 L HN -0.077 nan 8.230 nan 0.000 0.454 949 R N -1.050 119.502 120.500 0.088 0.000 2.189 949 R HA -0.135 4.207 4.340 0.004 0.000 0.218 949 R C 2.247 178.614 176.300 0.110 0.000 1.074 949 R CA 1.101 57.253 56.100 0.087 0.000 0.991 949 R CB -0.253 30.025 30.300 -0.035 0.000 0.883 949 R HN 0.716 nan 8.270 nan 0.000 0.457 950 H N -0.742 118.363 119.070 0.059 0.000 2.317 950 H HA 0.128 4.686 4.556 0.004 0.000 0.304 950 H C 1.632 177.014 175.328 0.091 0.000 1.067 950 H CA 1.642 57.730 56.048 0.066 0.000 1.352 950 H CB -0.047 29.756 29.762 0.069 0.000 1.398 950 H HN 0.177 nan 8.280 nan 0.000 0.510 951 A N 0.597 123.501 122.820 0.140 0.000 2.121 951 A HA -0.001 4.322 4.320 0.004 0.000 0.218 951 A C 2.346 179.941 177.584 0.018 0.000 1.154 951 A CA 1.072 53.168 52.037 0.098 0.000 0.679 951 A CB -0.686 18.511 19.000 0.330 0.000 0.795 951 A HN 0.607 nan 8.150 nan 0.000 0.458 952 I N -1.491 119.093 120.570 0.023 0.000 2.703 952 I HA -0.078 4.094 4.170 0.004 0.000 0.259 952 I C 2.367 178.431 176.117 -0.088 0.000 1.151 952 I CA 0.978 62.272 61.300 -0.012 0.000 1.470 952 I CB 0.077 38.090 38.000 0.023 0.000 1.112 952 I HN 0.306 nan 8.210 nan 0.000 0.437 953 E N 1.176 121.311 120.200 -0.109 0.000 2.046 953 E HA -0.123 4.229 4.350 0.004 0.000 0.190 953 E C 2.132 178.653 176.600 -0.132 0.000 0.982 953 E CA 1.596 57.919 56.400 -0.129 0.000 0.800 953 E CB -0.095 29.537 29.700 -0.114 0.000 0.756 953 E HN 0.412 nan 8.360 nan 0.000 0.449 954 A N -0.269 122.442 122.820 -0.181 0.000 1.873 954 A HA -0.106 4.216 4.320 0.004 0.000 0.215 954 A C 2.377 179.902 177.584 -0.098 0.000 1.186 954 A CA 1.746 53.688 52.037 -0.158 0.000 0.616 954 A CB -0.527 18.323 19.000 -0.251 0.000 0.823 954 A HN 0.178 nan 8.150 nan 0.000 0.442 955 V N -0.280 119.581 119.914 -0.087 0.000 2.403 955 V HA -0.021 4.101 4.120 0.004 0.000 0.239 955 V C -0.844 175.221 176.094 -0.049 0.000 1.041 955 V CA 1.651 63.912 62.300 -0.065 0.000 1.051 955 V CB -1.204 30.574 31.823 -0.074 0.000 0.704 955 V HN 0.381 nan 8.190 nan 0.000 0.472 956 P HA 0.050 nan 4.420 nan 0.000 0.245 956 P C 1.759 179.036 177.300 -0.038 0.000 1.206 956 P CA 0.856 63.941 63.100 -0.026 0.000 0.781 956 P CB 0.149 31.845 31.700 -0.007 0.000 0.994 957 S N 0.837 116.497 115.700 -0.067 0.000 2.374 957 S HA -0.163 4.310 4.470 0.004 0.000 0.227 957 S C 1.653 176.224 174.600 -0.048 0.000 1.037 957 S CA 1.549 59.699 58.200 -0.083 0.000 1.024 957 S CB -1.019 62.123 63.200 -0.096 0.000 0.861 957 S HN 0.155 nan 8.310 nan 0.000 0.456 958 L N -0.169 121.033 121.223 -0.036 0.000 2.291 958 L HA 0.237 4.579 4.340 0.004 0.000 0.214 958 L C 0.741 177.607 176.870 -0.007 0.000 1.120 958 L CA 0.782 55.610 54.840 -0.020 0.000 0.799 958 L CB -0.603 41.443 42.059 -0.021 0.000 0.925 958 L HN 0.093 nan 8.230 nan 0.000 0.446 959 N N 0.511 119.209 118.700 -0.004 0.000 2.320 959 N HA 0.000 4.743 4.740 0.004 0.000 0.237 959 N C 0.773 176.301 175.510 0.030 0.000 1.129 959 N CA 0.129 53.184 53.050 0.009 0.000 0.854 959 N CB 0.092 38.581 38.487 0.003 0.000 1.083 959 N HN 0.400 nan 8.380 nan 0.000 0.504 960 N N 1.263 119.986 118.700 0.038 0.000 2.432 960 N HA 0.094 4.836 4.740 0.004 0.000 0.174 960 N C -1.017 174.541 175.510 0.080 0.000 1.037 960 N CA -0.094 53.001 53.050 0.076 0.000 0.892 960 N CB -0.300 38.244 38.487 0.095 0.000 1.049 960 N HN -0.039 nan 8.380 nan 0.000 0.442 961 P HA -0.202 nan 4.420 nan 0.000 0.218 961 P C -0.021 177.317 177.300 0.064 0.000 1.147 961 P CA 1.024 64.158 63.100 0.057 0.000 0.827 961 P CB -0.078 31.645 31.700 0.039 0.000 0.778 962 Q N 1.322 121.160 119.800 0.063 0.000 2.271 962 Q HA 0.066 4.408 4.340 0.004 0.000 0.273 962 Q C 0.181 176.242 176.000 0.102 0.000 1.051 962 Q CA 0.539 56.387 55.803 0.074 0.000 0.901 962 Q CB 0.409 29.183 28.738 0.061 0.000 1.174 962 Q HN 0.193 nan 8.270 nan 0.000 0.385 963 T N 0.628 115.269 114.554 0.146 0.000 2.909 963 T HA 0.474 4.826 4.350 0.004 0.000 0.286 963 T C 0.107 175.051 174.700 0.406 0.000 1.002 963 T CA -0.446 61.778 62.100 0.208 0.000 1.074 963 T CB 0.324 69.348 68.868 0.261 0.000 0.984 963 T HN 0.589 nan 8.240 nan 0.000 0.495 964 F N -0.090 119.850 119.950 -0.015 0.000 2.860 964 F HA -0.098 4.432 4.527 0.004 0.000 0.355 964 F C 0.616 176.407 175.800 -0.014 0.000 1.024 964 F CA 0.466 58.453 58.000 -0.021 0.000 1.160 964 F CB -1.863 37.124 39.000 -0.022 0.000 1.422 964 F HN 0.841 nan 8.300 nan 0.000 0.766 965 S N 0.241 115.992 115.700 0.085 0.000 2.413 965 S HA 0.346 4.818 4.470 0.004 0.000 0.170 965 S C 0.529 175.155 174.600 0.042 0.000 1.294 965 S CA 0.033 58.275 58.200 0.069 0.000 1.201 965 S CB 0.370 63.616 63.200 0.076 0.000 1.328 965 S HN 0.538 nan 8.310 nan 0.000 0.418 966 E N 1.691 121.905 120.200 0.024 0.000 2.162 966 E HA 0.063 4.416 4.350 0.004 0.000 0.193 966 E C 1.497 178.119 176.600 0.036 0.000 0.953 966 E CA -0.116 56.297 56.400 0.023 0.000 0.849 966 E CB -0.356 29.339 29.700 -0.007 0.000 0.810 966 E HN 0.435 nan 8.360 nan 0.000 0.470 967 Q N 1.401 121.218 119.800 0.027 0.000 2.297 967 Q HA -0.194 4.148 4.340 0.004 0.000 0.208 967 Q C 1.904 177.918 176.000 0.024 0.000 0.981 967 Q CA 1.728 57.545 55.803 0.023 0.000 0.876 967 Q CB -0.024 28.721 28.738 0.012 0.000 0.921 967 Q HN 0.250 nan 8.270 nan 0.000 0.446 968 K N 0.689 121.107 120.400 0.031 0.000 2.002 968 K HA -0.177 4.145 4.320 0.004 0.000 0.209 968 K C 2.092 178.715 176.600 0.038 0.000 1.048 968 K CA 1.705 58.010 56.287 0.029 0.000 0.930 968 K CB -0.587 31.935 32.500 0.037 0.000 0.714 968 K HN 0.263 nan 8.250 nan 0.000 0.438 969 L N -0.559 120.701 121.223 0.062 0.000 2.141 969 L HA 0.065 4.408 4.340 0.004 0.000 0.209 969 L C 1.337 178.257 176.870 0.084 0.000 1.094 969 L CA 1.816 56.704 54.840 0.079 0.000 0.763 969 L CB -0.953 41.180 42.059 0.124 0.000 0.908 969 L HN -0.004 nan 8.230 nan 0.000 0.437 970 D N 0.366 120.814 120.400 0.080 0.000 2.228 970 D HA -0.226 4.417 4.640 0.004 0.000 0.203 970 D C 2.073 178.440 176.300 0.111 0.000 0.988 970 D CA 1.454 55.512 54.000 0.097 0.000 0.864 970 D CB -0.060 40.786 40.800 0.077 0.000 0.928 970 D HN 0.611 nan 8.370 nan 0.000 0.469 971 E N 0.419 120.660 120.200 0.068 0.000 2.077 971 E HA -0.117 4.235 4.350 0.004 0.000 0.193 971 E C 1.923 178.599 176.600 0.125 0.000 0.989 971 E CA 1.417 57.850 56.400 0.055 0.000 0.800 971 E CB -0.299 29.397 29.700 -0.006 0.000 0.746 971 E HN 0.205 nan 8.360 nan 0.000 0.452 972 A N -0.203 122.684 122.820 0.111 0.000 1.930 972 A HA -0.112 4.210 4.320 0.004 0.000 0.217 972 A C 2.035 179.746 177.584 0.211 0.000 1.175 972 A CA 1.265 53.391 52.037 0.147 0.000 0.627 972 A CB -0.514 18.544 19.000 0.096 0.000 0.815 972 A HN 0.287 nan 8.150 nan 0.000 0.443 973 L N -2.177 119.162 121.223 0.194 0.000 2.027 973 L HA -0.098 4.244 4.340 0.004 0.000 0.206 973 L C 2.365 179.357 176.870 0.203 0.000 1.074 973 L CA 1.845 56.803 54.840 0.196 0.000 0.745 973 L CB -1.211 40.956 42.059 0.180 0.000 0.898 973 L HN 0.554 nan 8.230 nan 0.000 0.433 974 Y N -0.637 119.715 120.300 0.087 0.000 2.165 974 Y HA -0.337 4.215 4.550 0.004 0.000 0.286 974 Y C 2.974 178.909 175.900 0.059 0.000 1.155 974 Y CA 2.067 60.197 58.100 0.050 0.000 1.164 974 Y CB -0.209 38.241 38.460 -0.018 0.000 0.978 974 Y HN 0.280 nan 8.280 nan 0.000 0.513 975 H N -0.889 118.307 119.070 0.211 0.000 2.389 975 H HA -0.087 4.472 4.556 0.004 0.000 0.299 975 H C 2.050 177.424 175.328 0.076 0.000 1.081 975 H CA 1.105 57.226 56.048 0.122 0.000 1.345 975 H CB -0.393 29.433 29.762 0.107 0.000 1.393 975 H HN 0.493 nan 8.280 nan 0.000 0.520 976 G N -0.655 108.225 108.800 0.133 0.000 2.653 976 G HA2 0.010 3.973 3.960 0.004 0.000 0.212 976 G HA3 0.010 3.973 3.960 0.004 0.000 0.212 976 G C 1.106 176.010 174.900 0.007 0.000 1.138 976 G CA 0.569 45.715 45.100 0.077 0.000 0.782 976 G HN 0.504 nan 8.290 nan 0.000 0.535 977 A N -1.159 121.681 122.820 0.034 0.000 2.551 977 A HA 0.553 4.875 4.320 0.004 0.000 0.252 977 A C 1.607 179.326 177.584 0.226 0.000 1.199 977 A CA 0.737 52.877 52.037 0.173 0.000 0.972 977 A CB 0.344 19.566 19.000 0.370 0.000 1.153 977 A HN 0.335 nan 8.150 nan 0.000 0.559 978 V N -0.553 119.368 119.914 0.013 0.000 2.599 978 V HA 0.054 4.176 4.120 0.004 0.000 0.237 978 V C 2.006 178.042 176.094 -0.096 0.000 1.081 978 V CA 1.578 63.894 62.300 0.026 0.000 1.107 978 V CB 0.176 31.898 31.823 -0.168 0.000 0.808 978 V HN 0.471 nan 8.190 nan 0.000 0.486 979 L N 1.064 122.134 121.223 -0.255 0.000 2.191 979 L HA -0.019 4.324 4.340 0.004 0.000 0.212 979 L C 2.317 179.002 176.870 -0.309 0.000 1.103 979 L CA 1.978 56.665 54.840 -0.255 0.000 0.769 979 L CB -0.754 41.125 42.059 -0.301 0.000 0.908 979 L HN 0.280 nan 8.230 nan 0.000 0.438 980 R N -0.956 119.282 120.500 -0.438 0.000 2.161 980 R HA 0.104 4.447 4.340 0.004 0.000 0.213 980 R C 2.173 178.337 176.300 -0.227 0.000 1.055 980 R CA 1.054 56.837 56.100 -0.528 0.000 0.996 980 R CB -1.182 28.703 30.300 -0.692 0.000 0.901 980 R HN 0.237 nan 8.270 nan 0.000 0.456 981 V N 1.089 120.925 119.914 -0.130 0.000 2.343 981 V HA -0.268 3.855 4.120 0.004 0.000 0.247 981 V C 2.459 178.561 176.094 0.013 0.000 1.051 981 V CA 2.000 64.269 62.300 -0.052 0.000 1.036 981 V CB -0.454 31.370 31.823 0.000 0.000 0.654 981 V HN 0.273 nan 8.190 nan 0.000 0.451 982 R N 0.178 120.684 120.500 0.011 0.000 2.096 982 R HA -0.189 4.154 4.340 0.004 0.000 0.240 982 R C -0.114 176.261 176.300 0.125 0.000 1.139 982 R CA 2.345 58.492 56.100 0.078 0.000 0.952 982 R CB -1.258 29.060 30.300 0.030 0.000 0.854 982 R HN 0.452 nan 8.270 nan 0.000 0.436 983 P HA -0.108 nan 4.420 nan 0.000 0.215 983 P C 0.698 177.996 177.300 -0.002 0.000 1.157 983 P CA 1.035 64.145 63.100 0.018 0.000 0.859 983 P CB 0.006 31.716 31.700 0.017 0.000 0.786 984 K N 0.106 120.489 120.400 -0.029 0.000 2.001 984 K HA -0.133 4.189 4.320 0.004 0.000 0.214 984 K C 2.129 178.775 176.600 0.077 0.000 1.050 984 K CA 2.025 58.293 56.287 -0.032 0.000 0.934 984 K CB -1.429 31.005 32.500 -0.109 0.000 0.718 984 K HN 0.011 nan 8.250 nan 0.000 0.443 985 A N 2.112 124.992 122.820 0.100 0.000 1.892 985 A HA -0.234 4.089 4.320 0.004 0.000 0.218 985 A C 2.262 179.849 177.584 0.006 0.000 1.188 985 A CA 2.674 54.796 52.037 0.141 0.000 0.631 985 A CB -0.688 18.478 19.000 0.277 0.000 0.822 985 A HN 0.587 nan 8.150 nan 0.000 0.447 986 M N -0.029 119.508 119.600 -0.105 0.000 2.279 986 M HA -0.106 4.376 4.480 0.004 0.000 0.264 986 M C 1.935 178.016 176.300 -0.365 0.000 1.062 986 M CA 2.364 57.281 55.300 -0.638 0.000 1.099 986 M CB -1.051 31.245 32.600 -0.505 0.000 1.394 986 M HN 0.467 nan 8.290 nan 0.000 0.426 987 T N -1.059 113.404 114.554 -0.151 0.000 2.770 987 T HA 0.002 4.355 4.350 0.004 0.000 0.258 987 T C 1.799 176.466 174.700 -0.056 0.000 1.039 987 T CA 1.223 63.272 62.100 -0.085 0.000 1.143 987 T CB -1.042 67.814 68.868 -0.020 0.000 0.866 987 T HN 0.243 nan 8.240 nan 0.000 0.428 988 V N 2.489 122.411 119.914 0.012 0.000 2.453 988 V HA -0.114 4.008 4.120 0.004 0.000 0.252 988 V C 3.252 179.304 176.094 -0.070 0.000 1.068 988 V CA 1.665 63.960 62.300 -0.008 0.000 1.070 988 V CB -1.531 30.299 31.823 0.011 0.000 0.664 988 V HN 0.742 nan 8.190 nan 0.000 0.461 989 A N 0.546 123.296 122.820 -0.117 0.000 1.851 989 A HA -0.196 4.126 4.320 0.004 0.000 0.216 989 A C 2.411 179.910 177.584 -0.142 0.000 1.195 989 A CA 2.770 54.712 52.037 -0.157 0.000 0.622 989 A CB -0.855 17.912 19.000 -0.389 0.000 0.831 989 A HN 0.619 nan 8.150 nan 0.000 0.444 990 V N -2.157 117.653 119.914 -0.173 0.000 2.379 990 V HA -0.136 3.986 4.120 0.004 0.000 0.245 990 V C 2.221 178.267 176.094 -0.080 0.000 1.044 990 V CA 1.400 63.626 62.300 -0.123 0.000 1.036 990 V CB -1.019 30.725 31.823 -0.132 0.000 0.664 990 V HN 0.413 nan 8.190 nan 0.000 0.453 991 I N 0.625 121.150 120.570 -0.075 0.000 2.185 991 I HA -0.259 3.913 4.170 0.004 0.000 0.246 991 I C 2.469 178.547 176.117 -0.066 0.000 1.088 991 I CA 2.356 63.619 61.300 -0.062 0.000 1.347 991 I CB -0.680 37.289 38.000 -0.050 0.000 1.041 991 I HN 0.377 nan 8.210 nan 0.000 0.415 992 I N -0.353 120.177 120.570 -0.068 0.000 2.867 992 I HA -0.050 4.122 4.170 0.004 0.000 0.265 992 I C 2.658 178.752 176.117 -0.039 0.000 1.162 992 I CA 0.646 61.907 61.300 -0.065 0.000 1.471 992 I CB -0.399 37.557 38.000 -0.073 0.000 1.123 992 I HN 0.027 nan 8.210 nan 0.000 0.440 993 A N 1.563 124.363 122.820 -0.034 0.000 1.834 993 A HA -0.165 4.158 4.320 0.004 0.000 0.216 993 A C 2.356 179.943 177.584 0.005 0.000 1.203 993 A CA 2.167 54.198 52.037 -0.009 0.000 0.621 993 A CB -1.571 17.413 19.000 -0.026 0.000 0.841 993 A HN 0.420 nan 8.150 nan 0.000 0.446 994 G N -1.451 107.343 108.800 -0.009 0.000 2.598 994 G HA2 0.096 4.058 3.960 0.004 0.000 0.215 994 G HA3 0.096 4.058 3.960 0.004 0.000 0.215 994 G C 1.198 176.102 174.900 0.007 0.000 1.131 994 G CA 0.891 45.996 45.100 0.008 0.000 0.785 994 G HN 0.417 nan 8.290 nan 0.000 0.539 995 L N -0.253 120.961 121.223 -0.015 0.000 2.592 995 L HA 0.454 4.797 4.340 0.004 0.000 0.227 995 L C 2.027 178.874 176.870 -0.037 0.000 1.127 995 L CA 0.207 55.028 54.840 -0.032 0.000 0.884 995 L CB 0.250 42.272 42.059 -0.061 0.000 1.065 995 L HN 0.128 nan 8.230 nan 0.000 0.457 996 L N -0.108 121.112 121.223 -0.005 0.000 2.202 996 L HA 0.153 4.496 4.340 0.004 0.000 0.205 996 L C -0.699 176.209 176.870 0.065 0.000 1.083 996 L CA 1.215 56.059 54.840 0.005 0.000 0.790 996 L CB -0.991 41.130 42.059 0.103 0.000 0.942 996 L HN 0.100 nan 8.230 nan 0.000 0.452 997 P HA -0.145 nan 4.420 nan 0.000 0.219 997 P C 1.748 179.118 177.300 0.116 0.000 1.146 997 P CA 1.575 64.763 63.100 0.146 0.000 0.808 997 P CB -0.205 31.563 31.700 0.113 0.000 0.779 998 I N -3.931 116.675 120.570 0.059 0.000 3.578 998 I HA 0.040 4.212 4.170 0.004 0.000 0.295 998 I C 1.531 177.665 176.117 0.030 0.000 1.280 998 I CA 0.589 61.919 61.300 0.051 0.000 1.347 998 I CB -0.241 37.781 38.000 0.036 0.000 1.051 998 I HN -0.146 nan 8.210 nan 0.000 0.460 999 L N -0.089 121.109 121.223 -0.041 0.000 2.221 999 L HA 0.267 4.609 4.340 0.004 0.000 0.202 999 L C 1.844 178.639 176.870 -0.125 0.000 1.074 999 L CA 1.318 56.065 54.840 -0.156 0.000 0.795 999 L CB -0.429 41.380 42.059 -0.416 0.000 0.960 999 L HN 0.279 nan 8.230 nan 0.000 0.458 1000 W N 0.568 121.917 121.300 0.081 0.000 2.558 1000 W HA 0.249 4.911 4.660 0.004 0.000 0.317 1000 W C 1.458 178.022 176.519 0.074 0.000 1.139 1000 W CA 0.101 57.492 57.345 0.076 0.000 1.408 1000 W CB -1.036 28.457 29.460 0.056 0.000 1.184 1000 W HN 0.168 nan 8.180 nan 0.000 0.481 1001 G N 0.697 109.696 108.800 0.332 0.000 2.224 1001 G HA2 0.245 4.207 3.960 0.004 0.000 0.239 1001 G HA3 0.245 4.207 3.960 0.004 0.000 0.239 1001 G C -0.665 174.332 174.900 0.162 0.000 1.240 1001 G CA 0.197 45.418 45.100 0.201 0.000 0.896 1001 G HN -0.004 nan 8.290 nan 0.000 0.496 1002 T N 2.466 117.099 114.554 0.133 0.000 3.103 1002 T HA 0.549 4.902 4.350 0.004 0.000 0.352 1002 T C 0.889 175.636 174.700 0.078 0.000 1.048 1002 T CA 0.037 62.201 62.100 0.106 0.000 1.175 1002 T CB 1.255 70.194 68.868 0.119 0.000 1.029 1002 T HN 0.796 nan 8.240 nan 0.000 0.498 1003 G N 1.653 110.493 108.800 0.066 0.000 3.198 1003 G HA2 0.673 4.635 3.960 0.004 0.000 0.203 1003 G HA3 0.673 4.635 3.960 0.004 0.000 0.203 1003 G C -0.217 174.709 174.900 0.044 0.000 1.950 1003 G CA -0.301 44.831 45.100 0.054 0.000 0.798 1003 G HN 0.789 nan 8.290 nan 0.000 0.720 1004 A N -0.813 122.032 122.820 0.040 0.000 2.273 1004 A HA 0.607 4.929 4.320 0.004 0.000 0.320 1004 A C 0.865 178.466 177.584 0.029 0.000 1.358 1004 A CA 0.637 52.694 52.037 0.033 0.000 0.910 1004 A CB -0.049 18.971 19.000 0.034 0.000 1.159 1004 A HN 2.237 nan 8.150 nan 0.000 0.526 1005 G N 1.308 110.120 108.800 0.020 0.000 2.195 1005 G HA2 -0.240 3.722 3.960 0.004 0.000 0.224 1005 G HA3 -0.240 3.722 3.960 0.004 0.000 0.224 1005 G C 1.197 176.104 174.900 0.012 0.000 0.990 1005 G CA 0.530 45.637 45.100 0.011 0.000 0.639 1005 G HN 0.868 nan 8.290 nan 0.000 0.514 1006 S N 0.496 116.210 115.700 0.025 0.000 2.547 1006 S HA 0.062 4.534 4.470 0.004 0.000 0.235 1006 S C 1.982 176.588 174.600 0.011 0.000 0.980 1006 S CA 1.711 59.931 58.200 0.033 0.000 0.941 1006 S CB -0.092 63.143 63.200 0.058 0.000 0.763 1006 S HN 0.661 nan 8.310 nan 0.000 0.532 1007 E N 0.676 120.867 120.200 -0.016 0.000 2.077 1007 E HA -0.085 4.267 4.350 0.004 0.000 0.193 1007 E C 2.086 178.628 176.600 -0.097 0.000 0.989 1007 E CA 0.952 57.310 56.400 -0.069 0.000 0.800 1007 E CB -0.396 29.266 29.700 -0.063 0.000 0.746 1007 E HN 0.329 nan 8.360 nan 0.000 0.452 1008 V N 0.043 119.926 119.914 -0.051 0.000 2.488 1008 V HA -0.140 3.982 4.120 0.004 0.000 0.246 1008 V C 1.648 177.750 176.094 0.013 0.000 1.046 1008 V CA 1.184 63.465 62.300 -0.031 0.000 1.053 1008 V CB -0.092 31.709 31.823 -0.036 0.000 0.679 1008 V HN 0.259 nan 8.190 nan 0.000 0.458 1009 M N -0.333 119.279 119.600 0.020 0.000 2.319 1009 M HA -0.047 4.436 4.480 0.004 0.000 0.265 1009 M C 2.300 178.633 176.300 0.054 0.000 1.068 1009 M CA 1.449 56.776 55.300 0.044 0.000 1.118 1009 M CB -1.145 31.479 32.600 0.040 0.000 1.395 1009 M HN 0.411 nan 8.290 nan 0.000 0.435 1010 S N 0.294 116.025 115.700 0.052 0.000 2.355 1010 S HA -0.079 4.394 4.470 0.004 0.000 0.222 1010 S C 1.861 176.606 174.600 0.240 0.000 1.031 1010 S CA 0.986 59.276 58.200 0.150 0.000 0.993 1010 S CB -0.143 63.167 63.200 0.184 0.000 0.859 1010 S HN 0.308 nan 8.310 nan 0.000 0.453 1011 R N 1.236 121.765 120.500 0.049 0.000 2.241 1011 R HA 0.143 4.485 4.340 0.004 0.000 0.224 1011 R C 1.783 178.175 176.300 0.152 0.000 1.101 1011 R CA 0.579 56.732 56.100 0.088 0.000 0.995 1011 R CB -0.489 29.776 30.300 -0.057 0.000 0.870 1011 R HN 0.586 nan 8.270 nan 0.000 0.463 1012 I N -2.290 118.347 120.570 0.111 0.000 4.139 1012 I HA 0.245 4.417 4.170 0.004 0.000 0.335 1012 I C 1.176 177.312 176.117 0.030 0.000 1.327 1012 I CA 0.300 61.646 61.300 0.076 0.000 1.112 1012 I CB 0.375 38.417 38.000 0.070 0.000 1.058 1012 I HN 0.048 nan 8.210 nan 0.000 0.396 1013 A N 0.721 123.566 122.820 0.042 0.000 1.997 1013 A HA 0.347 4.669 4.320 0.004 0.000 0.212 1013 A C 2.363 179.917 177.584 -0.049 0.000 1.178 1013 A CA 0.916 52.943 52.037 -0.017 0.000 0.698 1013 A CB -0.483 18.506 19.000 -0.019 0.000 0.842 1013 A HN 0.466 nan 8.150 nan 0.000 0.458 1014 A N 0.983 123.811 122.820 0.014 0.000 1.858 1014 A HA -0.016 4.306 4.320 0.004 0.000 0.216 1014 A C 0.168 177.701 177.584 -0.084 0.000 1.190 1014 A CA 1.920 53.919 52.037 -0.065 0.000 0.617 1014 A CB -1.673 17.308 19.000 -0.033 0.000 0.827 1014 A HN 0.415 nan 8.150 nan 0.000 0.443 1015 P HA -0.163 nan 4.420 nan 0.000 0.215 1015 P C 1.751 178.862 177.300 -0.314 0.000 1.157 1015 P CA 1.422 64.375 63.100 -0.244 0.000 0.868 1015 P CB -0.220 31.291 31.700 -0.315 0.000 0.788 1016 M N -1.658 117.805 119.600 -0.228 0.000 2.086 1016 M HA -0.149 4.334 4.480 0.004 0.000 0.261 1016 M C 2.172 178.365 176.300 -0.178 0.000 1.067 1016 M CA 1.856 57.031 55.300 -0.207 0.000 1.116 1016 M CB -0.872 31.631 32.600 -0.162 0.000 1.348 1016 M HN -0.099 nan 8.290 nan 0.000 0.407 1017 I N -0.156 120.319 120.570 -0.158 0.000 2.058 1017 I HA -0.236 3.936 4.170 0.004 0.000 0.235 1017 I C 2.656 178.682 176.117 -0.153 0.000 1.053 1017 I CA 1.723 62.933 61.300 -0.150 0.000 1.313 1017 I CB -1.214 36.688 38.000 -0.162 0.000 1.039 1017 I HN 0.363 nan 8.210 nan 0.000 0.396 1018 G N 0.416 109.127 108.800 -0.148 0.000 2.476 1018 G HA2 -0.258 3.704 3.960 0.004 0.000 0.218 1018 G HA3 -0.258 3.704 3.960 0.004 0.000 0.218 1018 G C 1.669 176.491 174.900 -0.130 0.000 1.164 1018 G CA 0.991 46.017 45.100 -0.122 0.000 0.768 1018 G HN 0.552 nan 8.290 nan 0.000 0.560 1019 G N -0.129 108.573 108.800 -0.162 0.000 2.470 1019 G HA2 -0.110 3.852 3.960 0.004 0.000 0.220 1019 G HA3 -0.110 3.852 3.960 0.004 0.000 0.220 1019 G C 1.482 176.284 174.900 -0.163 0.000 1.121 1019 G CA 1.026 46.024 45.100 -0.171 0.000 0.766 1019 G HN 0.402 nan 8.290 nan 0.000 0.553 1020 M N 0.060 119.557 119.600 -0.172 0.000 2.571 1020 M HA 0.464 4.947 4.480 0.004 0.000 0.235 1020 M C 1.092 177.262 176.300 -0.216 0.000 1.216 1020 M CA -0.254 54.937 55.300 -0.182 0.000 0.979 1020 M CB -0.130 32.378 32.600 -0.153 0.000 1.616 1020 M HN 0.112 nan 8.290 nan 0.000 0.469 1021 I N -2.080 118.364 120.570 -0.209 0.000 3.366 1021 I HA 0.044 4.216 4.170 0.004 0.000 0.267 1021 I C 1.857 177.816 176.117 -0.264 0.000 1.149 1021 I CA 0.892 62.051 61.300 -0.235 0.000 1.436 1021 I CB -0.415 37.467 38.000 -0.197 0.000 1.379 1021 I HN 0.081 nan 8.210 nan 0.000 0.460 1022 T N 1.088 115.518 114.554 -0.206 0.000 2.803 1022 T HA -0.139 4.213 4.350 0.004 0.000 0.269 1022 T C 1.896 176.475 174.700 -0.202 0.000 1.052 1022 T CA 1.524 63.510 62.100 -0.190 0.000 1.136 1022 T CB -0.330 68.486 68.868 -0.087 0.000 0.864 1022 T HN 0.370 nan 8.240 nan 0.000 0.467 1023 A N 1.880 124.588 122.820 -0.187 0.000 1.843 1023 A HA 0.131 4.453 4.320 0.004 0.000 0.213 1023 A C 0.031 177.381 177.584 -0.390 0.000 1.202 1023 A CA 0.670 52.605 52.037 -0.169 0.000 0.607 1023 A CB -1.411 17.530 19.000 -0.098 0.000 0.847 1023 A HN 0.342 nan 8.150 nan 0.000 0.445 1024 P HA -0.121 nan 4.420 nan 0.000 0.215 1024 P C 1.798 178.596 177.300 -0.838 0.000 1.157 1024 P CA 0.746 62.913 63.100 -1.556 0.000 0.863 1024 P CB -0.087 30.748 31.700 -1.441 0.000 0.787 1025 L N -1.247 119.654 121.223 -0.537 0.000 1.970 1025 L HA -0.203 4.139 4.340 0.004 0.000 0.212 1025 L C 2.169 178.778 176.870 -0.435 0.000 1.071 1025 L CA 1.762 56.346 54.840 -0.427 0.000 0.751 1025 L CB -0.957 40.862 42.059 -0.400 0.000 0.889 1025 L HN -0.137 nan 8.230 nan 0.000 0.432 1026 L N -0.527 120.437 121.223 -0.431 0.000 2.046 1026 L HA -0.210 4.133 4.340 0.004 0.000 0.208 1026 L C 2.672 179.407 176.870 -0.225 0.000 1.077 1026 L CA 1.687 56.262 54.840 -0.442 0.000 0.747 1026 L CB -0.951 40.721 42.059 -0.646 0.000 0.896 1026 L HN 0.207 nan 8.230 nan 0.000 0.432 1027 S N -0.591 115.028 115.700 -0.136 0.000 2.387 1027 S HA -0.199 4.274 4.470 0.004 0.000 0.230 1027 S C 1.983 176.701 174.600 0.196 0.000 1.035 1027 S CA 1.219 59.467 58.200 0.081 0.000 1.014 1027 S CB -0.424 62.930 63.200 0.255 0.000 0.836 1027 S HN 0.348 nan 8.310 nan 0.000 0.466 1028 L N -0.637 120.726 121.223 0.232 0.000 2.127 1028 L HA -0.122 4.220 4.340 0.004 0.000 0.211 1028 L C 1.771 178.987 176.870 0.576 0.000 1.089 1028 L CA 1.484 56.523 54.840 0.331 0.000 0.757 1028 L CB -0.382 41.792 42.059 0.192 0.000 0.899 1028 L HN 0.390 nan 8.230 nan 0.000 0.434 1029 F N -1.987 117.997 119.950 0.058 0.000 2.602 1029 F HA 0.077 4.607 4.527 0.004 0.000 0.284 1029 F C 2.124 177.939 175.800 0.025 0.000 1.111 1029 F CA -0.423 57.617 58.000 0.067 0.000 1.405 1029 F CB 0.322 39.331 39.000 0.015 0.000 1.121 1029 F HN -0.138 nan 8.300 nan 0.000 0.603 1030 I N 0.301 120.975 120.570 0.174 0.000 2.617 1030 I HA -0.158 4.014 4.170 0.004 0.000 0.256 1030 I C 2.198 178.386 176.117 0.119 0.000 1.167 1030 I CA 1.277 62.627 61.300 0.082 0.000 1.469 1030 I CB -0.636 37.340 38.000 -0.041 0.000 1.098 1030 I HN 0.227 nan 8.210 nan 0.000 0.436 1031 I N 1.549 122.197 120.570 0.130 0.000 2.500 1031 I HA -0.097 4.075 4.170 0.004 0.000 0.252 1031 I C -0.564 175.636 176.117 0.138 0.000 1.142 1031 I CA 0.909 62.273 61.300 0.107 0.000 1.451 1031 I CB -0.610 37.429 38.000 0.066 0.000 1.093 1031 I HN 0.091 nan 8.210 nan 0.000 0.430 1032 P HA 0.025 nan 4.420 nan 0.000 0.219 1032 P C 1.389 178.804 177.300 0.192 0.000 1.154 1032 P CA 1.077 64.291 63.100 0.190 0.000 0.826 1032 P CB 0.056 31.839 31.700 0.138 0.000 0.795 1033 A N 0.984 123.894 122.820 0.149 0.000 1.824 1033 A HA -0.082 4.241 4.320 0.004 0.000 0.215 1033 A C 2.337 179.998 177.584 0.129 0.000 1.209 1033 A CA 2.300 54.410 52.037 0.121 0.000 0.614 1033 A CB -1.746 17.309 19.000 0.092 0.000 0.852 1033 A HN 0.163 nan 8.150 nan 0.000 0.447 1034 A N -2.718 120.183 122.820 0.134 0.000 2.225 1034 A HA 0.009 4.332 4.320 0.004 0.000 0.215 1034 A C 1.927 179.630 177.584 0.199 0.000 1.164 1034 A CA 1.593 53.710 52.037 0.134 0.000 0.710 1034 A CB -0.610 18.468 19.000 0.129 0.000 0.780 1034 A HN 0.711 nan 8.150 nan 0.000 0.473 1035 Y N 0.163 120.506 120.300 0.073 0.000 2.262 1035 Y HA 0.023 4.575 4.550 0.004 0.000 0.295 1035 Y C 2.242 178.212 175.900 0.116 0.000 1.121 1035 Y CA 1.557 59.705 58.100 0.081 0.000 1.144 1035 Y CB -0.284 38.216 38.460 0.067 0.000 1.043 1035 Y HN 0.296 nan 8.280 nan 0.000 0.528 1036 K N 0.373 120.837 120.400 0.106 0.000 2.032 1036 K HA -0.217 4.105 4.320 0.004 0.000 0.209 1036 K C 2.100 178.704 176.600 0.006 0.000 1.048 1036 K CA 1.852 58.166 56.287 0.047 0.000 0.927 1036 K CB -0.628 31.930 32.500 0.095 0.000 0.712 1036 K HN 0.450 nan 8.250 nan 0.000 0.441 1037 L N 0.786 122.030 121.223 0.035 0.000 2.456 1037 L HA -0.106 4.236 4.340 0.004 0.000 0.224 1037 L C 2.324 179.186 176.870 -0.014 0.000 1.148 1037 L CA 0.539 55.388 54.840 0.014 0.000 0.825 1037 L CB 0.011 42.094 42.059 0.041 0.000 0.937 1037 L HN 0.401 nan 8.230 nan 0.000 0.450 1038 M N -1.439 118.157 119.600 -0.008 0.000 2.384 1038 M HA -0.129 4.353 4.480 0.004 0.000 0.258 1038 M C 2.106 178.399 176.300 -0.011 0.000 1.130 1038 M CA 1.360 56.662 55.300 0.003 0.000 1.187 1038 M CB -0.518 32.119 32.600 0.063 0.000 1.307 1038 M HN 0.423 nan 8.290 nan 0.000 0.468 1039 W N 2.636 123.789 121.300 -0.244 0.000 2.315 1039 W HA -0.166 4.497 4.660 0.005 0.000 0.323 1039 W C 0.289 176.733 176.519 -0.126 0.000 1.233 1039 W CA 0.890 58.104 57.345 -0.218 0.000 1.267 1039 W CB -0.761 28.512 29.460 -0.313 0.000 1.160 1039 W HN 0.135 nan 8.180 nan 0.000 0.474 1040 L N 0.000 120.700 121.223 -0.872 0.000 2.949 1040 L HA 0.000 4.342 4.340 0.004 0.000 0.249 1040 L CA 0.000 54.230 54.840 -1.017 0.000 0.813 1040 L CB 0.000 41.705 42.059 -0.590 0.000 0.961 1040 L HN 0.000 nan 8.230 nan 0.000 0.502