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 3iyl_1_W DATA FIRST_RESID 2 DATA SEQUENCE AAVFGIQLVP KLNTSTTRRT FLPLRFDLLL DRLQSTNLHG VLYRALDFNP DATA SEQUENCE VDRSATVIQT YPPLNAWSPH HAFIENPLDY RDWTEFIHDR ALAFVGVLTQ DATA SEQUENCE RYPLTQNAQR YTNPLVLGAA FGDFLNARSI DIFLDRLFYD PTQDSPITAI DATA SEQUENCE TKFPYQWTID SNVTTDSVRT SAGCKYITLY GYDPSRPSTP ATYGKHRPTY DATA SEQUENCE ATVFYYSTLP ARSRLLANLA AGPTVLEHFD SPTYGPHLLL PQTGDVLGYS DATA SEQUENCE SSLISQAALL MVESVMDALR DNANASASTA VTRLDQSYHP VTSFDPSTFN DATA SEQUENCE TLLQRATNLA LLAVQGVQSE SAIPAIPTMS DVRSFVARLM AEGDPQQWFP DATA SEQUENCE YRVDQILYWP ESPFVPPIGP FYAPFRPVNF PFTTGSYTVV PDASRPLRLL DATA SEQUENCE PQYRNATITV QQADDAYEDT ALSPLITTHG FCVTGGVFTS IYDISGDPTA DATA SEQUENCE YPPAQLVDAP NDYFDRERMA RRDLFRRLRA PXXRSAIKDR AVFDFLASLV DATA SEQUENCE NPTTANPVLD TSFSMAYLGA SXXXXXXDEP VILADIRSGS IPGLPIPRRI DATA SEQUENCE VQFGYDVVHG SLLDLSRAVP TGTFGLVYAD LDQVXXXXXD MPAANRAAIA DATA SEQUENCE MLGTALQMTT AGGVSVLKVN FPTRAFWTQV FNLYATHATT LHLVKPTIVN DATA SEQUENCE SSEVFLVFGG RQSNGALRST TALQRALLSL YARNAAIDRA VTHIPFFGVP DATA SEQUENCE DDGTSDLGID AVRLFDPMFS DAVANLPSNA LASLVSRVVP SSIMFTRVPS DATA SEQUENCE NGPVSTTIYG KRTFLSNRRR ARLRDVPMLI TTTLVHQRRF TTPPTFTLFS DATA SEQUENCE SEAVPVTTLV AAGYNSFISE QTRNPNLAHL LDLGTGPECR ILSLIPPTLQ DATA SEQUENCE VTMSDSRPCA ELMASFDPAL TAYVQGDYST AAFWNGIRCD SATAIFTIGA DATA SEQUENCE AAAAAGTDLI AFVQQLIPRI VAAGGTRMWL QLNTPLYEVS SLPDLIEIDL DATA SEQUENCE RDHVYRFNGG ERVEPYADPV PLQQAIAALL PAAALSWHTL SPTCDWLPYI DATA SEQUENCE IGVGSPLNLS DINTAISYSR LTPILHIDTT TPPLRVNPVP TPLNQQCAIR DATA SEQUENCE ITSLDPAAVL SVQHNGVEVI GGTPGNVISV AGAAALQYIL ANQEFLLQFT DATA SEQUENCE PTLPGIFDVF LTTLGQPPVP RGSFTITPPP TTVALNMPPP RQLDFTDVGN DATA SEQUENCE DARITCDPYY QLAVCIFKDG QYVRVNPEKA SVVTNAPNRD LHFVLDLADN DATA SEQUENCE HVLLYLCDVT PSGLGDRIAF PIVDIYRIAF PRNTPVRASL PYTGGGAHLT DATA SEQUENCE SGGNPFMSLT TPPAVLPAGV ALAALSTSVA TQYPTYTLPA GVYEYVI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.649 177.584 0.108 0.000 1.274 2 A CA 0.000 52.029 52.037 -0.014 0.000 0.836 2 A CB 0.000 19.115 19.000 0.191 0.000 0.831 3 A N -0.646 122.268 122.820 0.156 0.000 2.517 3 A HA 0.655 4.975 4.320 0.000 0.000 0.297 3 A C -1.471 176.146 177.584 0.055 0.000 1.050 3 A CA -0.271 51.832 52.037 0.109 0.000 0.694 3 A CB 1.460 20.485 19.000 0.041 0.000 1.277 3 A HN 1.726 nan 8.150 nan 0.000 0.400 4 V N 4.285 124.228 119.914 0.048 0.000 2.294 4 V HA 0.559 4.679 4.120 0.000 0.000 0.272 4 V C 0.304 176.370 176.094 -0.046 0.000 1.027 4 V CA 0.209 62.439 62.300 -0.117 0.000 0.823 4 V CB -1.085 30.732 31.823 -0.010 0.000 1.030 4 V HN 1.046 nan 8.190 nan 0.000 0.457 5 F N 3.143 123.057 119.950 -0.061 0.000 2.183 5 F HA -0.295 4.232 4.527 0.000 0.000 0.318 5 F C 2.077 177.845 175.800 -0.053 0.000 0.958 5 F CA 1.785 59.743 58.000 -0.070 0.000 0.912 5 F CB -1.784 37.174 39.000 -0.070 0.000 4.135 5 F HN 0.471 nan 8.300 nan 0.000 0.137 6 G N 0.511 109.427 108.800 0.192 0.000 2.511 6 G HA2 0.207 4.167 3.960 0.000 0.000 0.217 6 G HA3 0.207 4.167 3.960 0.000 0.000 0.217 6 G C 0.455 175.370 174.900 0.025 0.000 1.133 6 G CA 0.636 45.774 45.100 0.063 0.000 0.792 6 G HN 0.415 nan 8.290 nan 0.000 0.539 7 I N 1.218 121.796 120.570 0.013 0.000 2.474 7 I HA 0.160 4.330 4.170 0.000 0.000 0.287 7 I C -0.219 175.930 176.117 0.053 0.000 1.048 7 I CA -0.337 60.953 61.300 -0.017 0.000 1.383 7 I CB 1.280 39.232 38.000 -0.079 0.000 1.412 7 I HN 0.031 nan 8.210 nan 0.000 0.531 8 Q N 6.977 126.816 119.800 0.066 0.000 2.271 8 Q HA 0.546 4.886 4.340 0.000 0.000 0.258 8 Q C -0.991 175.084 176.000 0.125 0.000 0.936 8 Q CA -0.598 55.256 55.803 0.085 0.000 0.909 8 Q CB 2.553 31.330 28.738 0.065 0.000 1.253 8 Q HN 0.539 nan 8.270 nan 0.000 0.440 9 L N 2.650 123.973 121.223 0.166 0.000 2.298 9 L HA 0.393 4.733 4.340 0.000 0.000 0.284 9 L C 0.411 177.407 176.870 0.209 0.000 1.013 9 L CA -1.270 53.712 54.840 0.236 0.000 0.824 9 L CB 1.466 43.750 42.059 0.375 0.000 1.221 9 L HN 0.350 nan 8.230 nan 0.000 0.418 10 V N 1.530 121.564 119.914 0.200 0.000 2.673 10 V HA 0.092 4.212 4.120 0.000 0.000 0.303 10 V C -1.599 174.660 176.094 0.274 0.000 1.046 10 V CA -0.806 61.617 62.300 0.205 0.000 1.126 10 V CB 0.411 32.388 31.823 0.255 0.000 0.934 10 V HN 0.594 nan 8.190 nan 0.000 0.487 11 P HA -0.180 nan 4.420 nan 0.000 0.217 11 P C 0.306 177.711 177.300 0.176 0.000 1.162 11 P CA 1.476 64.586 63.100 0.017 0.000 0.901 11 P CB -0.052 31.647 31.700 -0.001 0.000 0.793 12 K N 0.482 120.980 120.400 0.164 0.000 2.451 12 K HA 0.111 4.431 4.320 0.000 0.000 0.280 12 K C 0.295 176.962 176.600 0.111 0.000 1.020 12 K CA 0.388 56.688 56.287 0.021 0.000 1.008 12 K CB -0.231 32.040 32.500 -0.382 0.000 0.917 12 K HN 0.209 nan 8.250 nan 0.000 0.478 13 L N 3.008 124.310 121.223 0.133 0.000 2.295 13 L HA 0.311 4.651 4.340 0.000 0.000 0.285 13 L C 0.101 177.034 176.870 0.104 0.000 1.035 13 L CA -0.727 54.207 54.840 0.156 0.000 0.806 13 L CB 1.071 43.273 42.059 0.238 0.000 1.214 13 L HN 0.614 nan 8.230 nan 0.000 0.426 14 N N 1.644 120.402 118.700 0.097 0.000 2.542 14 N HA 0.457 5.197 4.740 0.000 0.000 0.288 14 N C -1.161 174.399 175.510 0.083 0.000 1.115 14 N CA -0.413 52.679 53.050 0.070 0.000 0.924 14 N CB 1.833 40.337 38.487 0.029 0.000 1.526 14 N HN 0.623 nan 8.380 nan 0.000 0.515 15 T N -0.367 114.235 114.554 0.080 0.000 2.901 15 T HA 0.648 4.998 4.350 0.000 0.000 0.293 15 T C -0.118 174.600 174.700 0.030 0.000 1.084 15 T CA -0.830 61.314 62.100 0.074 0.000 1.008 15 T CB 0.682 69.623 68.868 0.121 0.000 1.170 15 T HN 0.544 nan 8.240 nan 0.000 0.509 16 S N 0.488 116.193 115.700 0.008 0.000 2.573 16 S HA 0.251 4.721 4.470 0.000 0.000 0.277 16 S C 1.128 175.694 174.600 -0.057 0.000 1.346 16 S CA 0.082 58.269 58.200 -0.022 0.000 1.034 16 S CB 0.189 63.371 63.200 -0.031 0.000 0.879 16 S HN 1.105 nan 8.310 nan 0.000 0.528 17 T N -1.926 112.591 114.554 -0.061 0.000 3.054 17 T HA 0.347 4.697 4.350 0.000 0.000 0.255 17 T C 0.416 175.049 174.700 -0.111 0.000 1.035 17 T CA 0.177 62.226 62.100 -0.086 0.000 0.941 17 T CB -0.559 68.276 68.868 -0.055 0.000 1.026 17 T HN 0.910 nan 8.240 nan 0.000 0.533 18 T N 0.626 115.118 114.554 -0.103 0.000 2.843 18 T HA 0.673 5.023 4.350 0.000 0.000 0.302 18 T C -1.506 173.135 174.700 -0.099 0.000 1.232 18 T CA -1.375 60.663 62.100 -0.104 0.000 1.009 18 T CB 2.183 71.008 68.868 -0.071 0.000 1.254 18 T HN 0.316 nan 8.240 nan 0.000 0.504 19 R N 1.026 121.468 120.500 -0.095 0.000 2.480 19 R HA 0.528 4.868 4.340 0.000 0.000 0.306 19 R C -0.386 175.889 176.300 -0.042 0.000 0.958 19 R CA -0.991 55.064 56.100 -0.075 0.000 0.861 19 R CB 1.681 31.925 30.300 -0.094 0.000 1.171 19 R HN 0.954 nan 8.270 nan 0.000 0.445 20 R N 0.538 121.025 120.500 -0.022 0.000 2.489 20 R HA 0.093 4.433 4.340 0.000 0.000 0.287 20 R C -0.044 176.266 176.300 0.016 0.000 1.053 20 R CA -0.336 55.759 56.100 -0.008 0.000 1.036 20 R CB 0.010 30.308 30.300 -0.003 0.000 0.966 20 R HN 0.697 nan 8.270 nan 0.000 0.432 21 T N 1.494 116.051 114.554 0.006 0.000 2.908 21 T HA -0.045 4.305 4.350 0.000 0.000 0.301 21 T C 0.062 174.799 174.700 0.061 0.000 1.019 21 T CA -0.687 61.430 62.100 0.028 0.000 1.152 21 T CB 0.250 69.115 68.868 -0.006 0.000 0.966 21 T HN 0.469 nan 8.240 nan 0.000 0.540 22 F N 4.359 124.296 119.950 -0.021 0.000 2.590 22 F HA 0.294 4.821 4.527 0.000 0.000 0.389 22 F C -0.070 175.713 175.800 -0.028 0.000 1.049 22 F CA -1.206 56.791 58.000 -0.004 0.000 1.199 22 F CB -0.070 38.946 39.000 0.026 0.000 1.058 22 F HN 0.674 nan 8.300 nan 0.000 0.556 23 L N 10.099 130.886 121.223 -0.727 0.000 2.287 23 L HA 0.539 4.879 4.340 0.000 0.000 0.287 23 L C -2.285 174.008 176.870 -0.962 0.000 1.022 23 L CA -2.005 52.427 54.840 -0.681 0.000 0.814 23 L CB 1.294 43.157 42.059 -0.325 0.000 1.217 23 L HN 0.493 nan 8.230 nan 0.000 0.420 24 P HA 0.138 nan 4.420 nan 0.000 0.292 24 P C -0.705 176.493 177.300 -0.170 0.000 1.287 24 P CA -0.663 62.125 63.100 -0.519 0.000 0.800 24 P CB 1.788 33.237 31.700 -0.417 0.000 0.945 25 L N 4.187 125.382 121.223 -0.048 0.000 2.513 25 L HA 0.079 4.419 4.340 0.000 0.000 0.272 25 L C 1.058 178.028 176.870 0.166 0.000 1.187 25 L CA 0.398 55.264 54.840 0.044 0.000 0.895 25 L CB -0.182 41.885 42.059 0.014 0.000 1.147 25 L HN 0.344 nan 8.230 nan 0.000 0.483 26 R N 3.219 123.818 120.500 0.164 0.000 2.801 26 R HA -0.054 4.286 4.340 0.000 0.000 0.273 26 R C 0.915 177.294 176.300 0.132 0.000 1.080 26 R CA 0.210 56.369 56.100 0.098 0.000 1.197 26 R CB 0.167 30.455 30.300 -0.020 0.000 1.109 26 R HN 0.801 nan 8.270 nan 0.000 0.535 27 F N 1.433 121.395 119.950 0.019 0.000 2.325 27 F HA -0.182 4.345 4.527 0.000 0.000 0.299 27 F C 1.909 177.739 175.800 0.049 0.000 1.090 27 F CA 1.504 59.562 58.000 0.096 0.000 1.392 27 F CB 0.158 39.327 39.000 0.282 0.000 1.053 27 F HN 0.609 nan 8.300 nan 0.000 0.521 28 D N 0.481 120.820 120.400 -0.101 0.000 2.110 28 D HA -0.176 4.464 4.640 0.000 0.000 0.202 28 D C 2.234 178.430 176.300 -0.173 0.000 0.975 28 D CA 0.790 54.674 54.000 -0.194 0.000 0.839 28 D CB -0.891 39.861 40.800 -0.081 0.000 0.996 28 D HN 0.230 nan 8.370 nan 0.000 0.464 29 L N 0.969 122.134 121.223 -0.097 0.000 2.043 29 L HA -0.119 4.221 4.340 0.000 0.000 0.212 29 L C 2.564 179.374 176.870 -0.100 0.000 1.075 29 L CA 0.974 55.766 54.840 -0.080 0.000 0.752 29 L CB -1.004 41.029 42.059 -0.044 0.000 0.891 29 L HN 0.231 nan 8.230 nan 0.000 0.432 30 L N -0.790 120.366 121.223 -0.111 0.000 2.131 30 L HA -0.196 4.144 4.340 0.000 0.000 0.210 30 L C 2.332 179.108 176.870 -0.157 0.000 1.092 30 L CA 1.588 56.361 54.840 -0.111 0.000 0.759 30 L CB -0.534 41.487 42.059 -0.064 0.000 0.903 30 L HN 0.214 nan 8.230 nan 0.000 0.435 31 L N 0.110 121.175 121.223 -0.264 0.000 2.156 31 L HA -0.125 4.215 4.340 0.000 0.000 0.208 31 L C 2.218 179.004 176.870 -0.141 0.000 1.095 31 L CA 1.333 56.017 54.840 -0.259 0.000 0.770 31 L CB -0.917 40.896 42.059 -0.410 0.000 0.914 31 L HN 0.348 nan 8.230 nan 0.000 0.439 32 D N -0.991 119.336 120.400 -0.122 0.000 2.162 32 D HA -0.123 4.517 4.640 0.000 0.000 0.205 32 D C 2.089 178.349 176.300 -0.066 0.000 0.964 32 D CA 0.419 54.371 54.000 -0.080 0.000 0.847 32 D CB -0.061 40.696 40.800 -0.072 0.000 0.988 32 D HN 0.184 nan 8.370 nan 0.000 0.480 33 R N 0.816 121.269 120.500 -0.078 0.000 2.096 33 R HA -0.120 4.220 4.340 0.000 0.000 0.240 33 R C 2.383 178.641 176.300 -0.071 0.000 1.139 33 R CA 1.053 57.107 56.100 -0.077 0.000 0.952 33 R CB -0.394 29.852 30.300 -0.090 0.000 0.854 33 R HN 0.145 nan 8.270 nan 0.000 0.436 34 L N 0.230 121.409 121.223 -0.072 0.000 2.056 34 L HA -0.125 4.215 4.340 0.000 0.000 0.207 34 L C 1.226 178.091 176.870 -0.008 0.000 1.078 34 L CA 1.252 56.065 54.840 -0.046 0.000 0.749 34 L CB -0.045 42.013 42.059 -0.002 0.000 0.901 34 L HN 0.315 nan 8.230 nan 0.000 0.433 35 Q N 0.332 120.124 119.800 -0.014 0.000 2.823 35 Q HA 0.122 4.462 4.340 0.000 0.000 0.370 35 Q C -0.116 175.886 176.000 0.005 0.000 1.110 35 Q CA -0.305 55.499 55.803 0.002 0.000 0.990 35 Q CB 0.393 29.124 28.738 -0.011 0.000 1.383 35 Q HN 0.362 nan 8.270 nan 0.000 0.430 36 S N -1.616 114.094 115.700 0.016 0.000 2.651 36 S HA 0.250 4.720 4.470 0.000 0.000 0.291 36 S C 1.467 176.105 174.600 0.063 0.000 1.141 36 S CA -0.266 57.946 58.200 0.021 0.000 1.027 36 S CB 1.504 64.707 63.200 0.005 0.000 1.043 36 S HN 0.402 nan 8.310 nan 0.000 0.530 37 T N -0.224 114.358 114.554 0.047 0.000 2.597 37 T HA -0.207 4.143 4.350 0.000 0.000 0.267 37 T C 0.627 175.394 174.700 0.112 0.000 1.053 37 T CA 1.767 63.897 62.100 0.049 0.000 1.165 37 T CB -0.966 67.914 68.868 0.019 0.000 0.863 37 T HN 0.709 nan 8.240 nan 0.000 0.427 38 N N 0.384 119.174 118.700 0.150 0.000 2.407 38 N HA 0.319 5.059 4.740 0.000 0.000 0.277 38 N C 0.496 176.146 175.510 0.233 0.000 0.995 38 N CA -0.674 52.563 53.050 0.313 0.000 0.903 38 N CB 1.076 39.667 38.487 0.173 0.000 1.218 38 N HN -0.009 nan 8.380 nan 0.000 0.487 39 L N 1.710 123.064 121.223 0.219 0.000 2.156 39 L HA -0.014 4.326 4.340 0.000 0.000 0.208 39 L C 0.874 177.612 176.870 -0.220 0.000 1.095 39 L CA 0.931 55.724 54.840 -0.080 0.000 0.770 39 L CB -1.343 40.577 42.059 -0.233 0.000 0.914 39 L HN 0.753 nan 8.230 nan 0.000 0.439 40 H N 0.325 119.159 119.070 -0.392 0.000 3.184 40 H HA 0.161 4.717 4.556 0.000 0.000 0.274 40 H C 1.186 176.343 175.328 -0.284 0.000 0.962 40 H CA 1.276 56.908 56.048 -0.694 0.000 1.441 40 H CB 0.438 30.003 29.762 -0.328 0.000 1.518 40 H HN 0.411 nan 8.280 nan 0.000 0.539 41 G N 3.803 112.211 108.800 -0.653 0.000 2.475 41 G HA2 -0.341 3.619 3.960 0.000 0.000 0.209 41 G HA3 -0.341 3.619 3.960 0.000 0.000 0.209 41 G C 1.206 175.971 174.900 -0.225 0.000 1.127 41 G CA 0.225 45.108 45.100 -0.361 0.000 0.681 41 G HN 0.525 nan 8.290 nan 0.000 0.517 42 V N 0.550 120.358 119.914 -0.177 0.000 2.379 42 V HA 0.220 4.340 4.120 0.000 0.000 0.245 42 V C 2.337 178.385 176.094 -0.078 0.000 1.044 42 V CA 2.440 64.660 62.300 -0.133 0.000 1.036 42 V CB 0.013 31.785 31.823 -0.086 0.000 0.664 42 V HN 0.459 nan 8.190 nan 0.000 0.453 43 L N -1.784 119.432 121.223 -0.011 0.000 2.675 43 L HA 0.347 4.687 4.340 0.000 0.000 0.178 43 L C 0.635 177.695 176.870 0.316 0.000 1.135 43 L CA 0.359 55.265 54.840 0.111 0.000 0.855 43 L CB 0.229 42.320 42.059 0.053 0.000 1.235 43 L HN 0.476 nan 8.230 nan 0.000 0.499 44 Y N -0.418 120.003 120.300 0.202 0.000 2.602 44 Y HA 0.724 5.274 4.550 0.000 0.000 0.330 44 Y C -0.364 175.629 175.900 0.155 0.000 1.114 44 Y CA -1.480 56.736 58.100 0.194 0.000 1.182 44 Y CB 0.817 39.513 38.460 0.393 0.000 1.305 44 Y HN 0.066 nan 8.280 nan 0.000 0.502 45 R N 1.992 122.566 120.500 0.123 0.000 2.549 45 R HA 0.623 4.963 4.340 0.000 0.000 0.291 45 R C -1.537 174.954 176.300 0.318 0.000 1.164 45 R CA -0.634 55.452 56.100 -0.024 0.000 0.973 45 R CB 1.227 31.518 30.300 -0.015 0.000 1.210 45 R HN 1.153 nan 8.270 nan 0.000 0.422 46 A N 5.189 128.402 122.820 0.655 0.000 2.561 46 A HA -0.006 4.314 4.320 0.000 0.000 0.251 46 A C 1.131 178.905 177.584 0.316 0.000 1.062 46 A CA -0.203 52.142 52.037 0.513 0.000 0.761 46 A CB 0.196 19.456 19.000 0.433 0.000 0.986 46 A HN 0.780 nan 8.150 nan 0.000 0.510 47 L N 1.750 123.103 121.223 0.217 0.000 2.056 47 L HA -0.022 4.318 4.340 0.000 0.000 0.207 47 L C 0.609 177.567 176.870 0.147 0.000 1.078 47 L CA 2.387 57.328 54.840 0.169 0.000 0.749 47 L CB -0.667 41.486 42.059 0.158 0.000 0.901 47 L HN 0.909 nan 8.230 nan 0.000 0.433 48 D N -1.858 118.614 120.400 0.121 0.000 2.552 48 D HA 0.053 4.693 4.640 0.000 0.000 0.285 48 D C -0.381 175.946 176.300 0.045 0.000 1.206 48 D CA -0.587 53.461 54.000 0.080 0.000 0.826 48 D CB -0.805 40.016 40.800 0.035 0.000 1.179 48 D HN -0.027 nan 8.370 nan 0.000 0.508 49 F N 1.990 121.902 119.950 -0.063 0.000 2.506 49 F HA 0.263 4.790 4.527 0.000 0.000 0.371 49 F C 0.445 176.179 175.800 -0.110 0.000 1.078 49 F CA -0.651 57.241 58.000 -0.179 0.000 1.195 49 F CB 0.660 39.519 39.000 -0.235 0.000 1.099 49 F HN 0.077 nan 8.300 nan 0.000 0.548 50 N N 8.167 126.338 118.700 -0.881 0.000 2.458 50 N HA 0.251 4.991 4.740 0.000 0.000 0.270 50 N C -2.195 172.840 175.510 -0.792 0.000 1.102 50 N CA -2.007 50.672 53.050 -0.619 0.000 0.967 50 N CB 1.378 39.608 38.487 -0.428 0.000 1.078 50 N HN 0.273 nan 8.380 nan 0.000 0.471 51 P HA -0.165 nan 4.420 nan 0.000 0.211 51 P C 1.331 178.583 177.300 -0.080 0.000 1.179 51 P CA 0.896 63.958 63.100 -0.064 0.000 0.910 51 P CB 0.149 31.863 31.700 0.023 0.000 0.785 52 V N -0.584 119.278 119.914 -0.085 0.000 2.233 52 V HA -0.241 3.879 4.120 0.000 0.000 0.256 52 V C 1.006 177.070 176.094 -0.049 0.000 1.069 52 V CA 1.938 64.206 62.300 -0.052 0.000 1.054 52 V CB -0.927 30.861 31.823 -0.060 0.000 0.664 52 V HN 0.202 nan 8.190 nan 0.000 0.453 53 D N -1.806 118.523 120.400 -0.117 0.000 2.481 53 D HA 0.323 4.963 4.640 0.000 0.000 0.244 53 D C -0.102 176.096 176.300 -0.169 0.000 1.057 53 D CA -0.635 53.323 54.000 -0.070 0.000 0.848 53 D CB 1.360 42.137 40.800 -0.037 0.000 1.388 53 D HN 0.163 nan 8.370 nan 0.000 0.475 54 R N 1.165 121.707 120.500 0.069 0.000 3.097 54 R HA 0.106 4.446 4.340 0.000 0.000 0.212 54 R C 0.005 176.426 176.300 0.201 0.000 1.651 54 R CA 0.220 56.506 56.100 0.310 0.000 1.134 54 R CB -0.151 30.495 30.300 0.576 0.000 1.241 54 R HN 0.028 nan 8.270 nan 0.000 0.640 55 S N 0.490 116.028 115.700 -0.270 0.000 2.538 55 S HA 0.734 5.204 4.470 0.000 0.000 0.288 55 S C -1.308 173.112 174.600 -0.301 0.000 1.108 55 S CA -0.585 57.541 58.200 -0.123 0.000 0.971 55 S CB 1.765 64.904 63.200 -0.102 0.000 1.041 55 S HN 0.517 nan 8.310 nan 0.000 0.483 56 A N 3.375 126.146 122.820 -0.082 0.000 2.414 56 A HA 0.574 4.894 4.320 0.000 0.000 0.286 56 A C 0.719 178.317 177.584 0.023 0.000 1.073 56 A CA -0.539 51.455 52.037 -0.072 0.000 0.727 56 A CB 0.901 19.848 19.000 -0.089 0.000 1.215 56 A HN 0.757 nan 8.150 nan 0.000 0.430 57 T N 0.725 115.280 114.554 0.000 0.000 2.643 57 T HA 0.010 4.360 4.350 0.000 0.000 0.264 57 T C 0.841 175.546 174.700 0.008 0.000 1.045 57 T CA 2.000 64.122 62.100 0.037 0.000 1.155 57 T CB -0.154 68.756 68.868 0.070 0.000 0.863 57 T HN 0.510 nan 8.240 nan 0.000 0.420 58 V N 0.637 120.545 119.914 -0.010 0.000 3.001 58 V HA 0.562 4.682 4.120 0.000 0.000 0.314 58 V C -0.774 175.337 176.094 0.028 0.000 1.099 58 V CA -1.015 61.234 62.300 -0.084 0.000 0.989 58 V CB 2.347 34.102 31.823 -0.114 0.000 1.040 58 V HN 0.268 nan 8.190 nan 0.000 0.434 59 I N 2.514 123.091 120.570 0.012 0.000 2.500 59 I HA 0.337 4.507 4.170 0.000 0.000 0.286 59 I C -0.446 175.683 176.117 0.021 0.000 1.063 59 I CA -0.307 61.048 61.300 0.092 0.000 1.062 59 I CB 1.832 39.877 38.000 0.075 0.000 1.223 59 I HN 0.634 nan 8.210 nan 0.000 0.435 60 Q N 5.484 125.262 119.800 -0.038 0.000 2.261 60 Q HA 0.385 4.725 4.340 0.000 0.000 0.252 60 Q C -0.603 175.161 176.000 -0.395 0.000 0.915 60 Q CA -0.174 55.399 55.803 -0.383 0.000 0.915 60 Q CB 1.671 30.133 28.738 -0.461 0.000 1.204 60 Q HN 0.762 nan 8.270 nan 0.000 0.421 61 T N 0.669 114.969 114.554 -0.423 0.000 2.940 61 T HA 0.562 4.912 4.350 0.000 0.000 0.288 61 T C -0.645 173.769 174.700 -0.477 0.000 1.033 61 T CA -0.520 61.387 62.100 -0.322 0.000 1.033 61 T CB 0.752 69.632 68.868 0.021 0.000 1.079 61 T HN 0.441 nan 8.240 nan 0.000 0.496 62 Y N 0.833 121.153 120.300 0.033 0.000 2.596 62 Y HA 0.463 5.013 4.550 0.000 0.000 0.326 62 Y C -1.321 174.585 175.900 0.010 0.000 1.167 62 Y CA -2.268 55.833 58.100 0.003 0.000 1.246 62 Y CB 0.228 38.676 38.460 -0.020 0.000 1.347 62 Y HN 0.429 nan 8.280 nan 0.000 0.515 63 P HA -0.313 nan 4.420 nan 0.000 0.245 63 P C -1.436 175.885 177.300 0.034 0.000 0.778 63 P CA 2.572 65.756 63.100 0.141 0.000 1.113 63 P CB -1.560 30.224 31.700 0.139 0.000 0.760 64 P HA -0.110 nan 4.420 nan 0.000 0.231 64 P C 1.448 178.464 177.300 -0.473 0.000 1.154 64 P CA 1.213 64.120 63.100 -0.321 0.000 0.762 64 P CB -0.287 31.113 31.700 -0.498 0.000 0.790 65 L N 0.560 121.675 121.223 -0.179 0.000 2.624 65 L HA 0.166 4.506 4.340 0.000 0.000 0.222 65 L C 2.074 179.085 176.870 0.236 0.000 1.046 65 L CA 0.791 55.652 54.840 0.034 0.000 0.872 65 L CB -0.915 41.202 42.059 0.098 0.000 1.190 65 L HN -0.140 nan 8.230 nan 0.000 0.487 66 N N 0.834 119.618 118.700 0.140 0.000 2.348 66 N HA -0.205 4.535 4.740 0.000 0.000 0.185 66 N C 1.469 177.069 175.510 0.149 0.000 1.019 66 N CA 1.430 54.548 53.050 0.113 0.000 0.880 66 N CB -0.190 38.333 38.487 0.060 0.000 0.965 66 N HN 0.425 nan 8.380 nan 0.000 0.437 67 A N 1.091 124.023 122.820 0.186 0.000 1.873 67 A HA -0.098 4.222 4.320 0.000 0.000 0.215 67 A C 0.873 178.596 177.584 0.232 0.000 1.186 67 A CA 0.450 52.604 52.037 0.195 0.000 0.616 67 A CB -1.309 17.799 19.000 0.179 0.000 0.823 67 A HN 0.568 nan 8.150 nan 0.000 0.442 68 W N 2.331 123.691 121.300 0.100 0.000 2.391 68 W HA 0.263 4.923 4.660 0.000 0.000 0.339 68 W C 0.003 176.559 176.519 0.062 0.000 1.252 68 W CA 0.324 57.726 57.345 0.095 0.000 1.304 68 W CB 0.181 29.731 29.460 0.149 0.000 1.179 68 W HN 0.332 nan 8.180 nan 0.000 0.567 69 S N 6.751 122.288 115.700 -0.271 0.000 2.774 69 S HA 0.546 5.016 4.470 0.000 0.000 0.297 69 S C -2.616 171.691 174.600 -0.489 0.000 1.143 69 S CA -1.633 56.293 58.200 -0.458 0.000 1.090 69 S CB 1.921 65.048 63.200 -0.121 0.000 1.019 69 S HN 0.299 nan 8.310 nan 0.000 0.482 70 P HA 0.120 nan 4.420 nan 0.000 0.269 70 P C -0.260 177.005 177.300 -0.059 0.000 1.211 70 P CA 0.177 63.044 63.100 -0.388 0.000 0.781 70 P CB 0.161 31.524 31.700 -0.561 0.000 0.877 71 H N -0.430 118.763 119.070 0.205 0.000 2.508 71 H HA 0.244 4.800 4.556 0.000 0.000 0.344 71 H C 1.711 177.152 175.328 0.189 0.000 1.192 71 H CA -0.506 55.670 56.048 0.213 0.000 1.290 71 H CB -0.121 29.759 29.762 0.197 0.000 1.571 71 H HN 0.495 nan 8.280 nan 0.000 0.555 72 H N 0.293 119.556 119.070 0.322 0.000 2.362 72 H HA -0.247 4.309 4.556 0.000 0.000 0.294 72 H C 1.769 177.264 175.328 0.278 0.000 1.113 72 H CA 1.854 58.043 56.048 0.235 0.000 1.253 72 H CB -1.136 28.729 29.762 0.173 0.000 1.363 72 H HN 0.715 nan 8.280 nan 0.000 0.494 73 A N 0.625 123.328 122.820 -0.194 0.000 2.076 73 A HA -0.117 4.203 4.320 0.000 0.000 0.220 73 A C 2.346 180.002 177.584 0.121 0.000 1.160 73 A CA 1.291 53.326 52.037 -0.004 0.000 0.653 73 A CB -1.183 17.807 19.000 -0.017 0.000 0.801 73 A HN 0.495 nan 8.150 nan 0.000 0.455 74 F N 0.032 119.901 119.950 -0.135 0.000 2.387 74 F HA 0.089 4.616 4.527 0.000 0.000 0.294 74 F C 1.759 177.506 175.800 -0.088 0.000 1.093 74 F CA 0.894 58.793 58.000 -0.169 0.000 1.420 74 F CB -0.037 38.765 39.000 -0.329 0.000 1.086 74 F HN 0.154 nan 8.300 nan 0.000 0.531 75 I N 0.788 121.374 120.570 0.027 0.000 2.163 75 I HA -0.208 3.962 4.170 0.000 0.000 0.240 75 I C 0.996 177.077 176.117 -0.060 0.000 1.081 75 I CA 0.958 62.255 61.300 -0.005 0.000 1.353 75 I CB -0.887 37.167 38.000 0.090 0.000 1.054 75 I HN 0.119 nan 8.210 nan 0.000 0.407 76 E N 2.903 123.102 120.200 -0.001 0.000 2.324 76 E HA -0.030 4.320 4.350 0.000 0.000 0.271 76 E C -0.112 176.458 176.600 -0.051 0.000 1.028 76 E CA -0.200 56.203 56.400 0.006 0.000 0.890 76 E CB 0.327 30.060 29.700 0.055 0.000 1.004 76 E HN 0.342 nan 8.360 nan 0.000 0.431 77 N N 2.530 121.201 118.700 -0.048 0.000 2.765 77 N HA -0.098 4.642 4.740 0.000 0.000 0.254 77 N C -2.703 172.706 175.510 -0.169 0.000 1.094 77 N CA 0.213 53.215 53.050 -0.080 0.000 0.680 77 N CB -1.001 37.445 38.487 -0.068 0.000 0.902 77 N HN 0.458 nan 8.380 nan 0.000 0.557 78 P HA 0.218 nan 4.420 nan 0.000 0.272 78 P C 0.284 177.495 177.300 -0.148 0.000 1.223 78 P CA -0.342 62.587 63.100 -0.285 0.000 0.784 78 P CB 0.474 32.089 31.700 -0.142 0.000 0.923 79 L N -0.235 120.882 121.223 -0.177 0.000 2.431 79 L HA 0.573 4.913 4.340 0.000 0.000 0.260 79 L C 0.101 177.052 176.870 0.137 0.000 1.098 79 L CA -0.967 53.872 54.840 -0.002 0.000 0.800 79 L CB 0.311 42.410 42.059 0.067 0.000 1.210 79 L HN 0.211 nan 8.230 nan 0.000 0.465 80 D N -0.986 119.525 120.400 0.185 0.000 2.253 80 D HA 0.045 4.685 4.640 0.000 0.000 0.249 80 D C 0.378 176.880 176.300 0.336 0.000 1.049 80 D CA -0.416 53.747 54.000 0.271 0.000 0.929 80 D CB 1.323 42.267 40.800 0.241 0.000 1.176 80 D HN 0.692 nan 8.370 nan 0.000 0.437 81 Y N 0.885 121.337 120.300 0.253 0.000 2.538 81 Y HA -0.258 4.292 4.550 0.000 0.000 0.287 81 Y C 2.065 178.186 175.900 0.368 0.000 1.157 81 Y CA 1.463 59.772 58.100 0.349 0.000 1.338 81 Y CB 0.125 38.796 38.460 0.352 0.000 0.970 81 Y HN 0.289 nan 8.280 nan 0.000 0.564 82 R N 0.139 120.827 120.500 0.313 0.000 2.060 82 R HA -0.129 4.211 4.340 0.000 0.000 0.225 82 R C 1.935 178.325 176.300 0.149 0.000 1.155 82 R CA 1.534 57.761 56.100 0.212 0.000 0.930 82 R CB -0.683 29.732 30.300 0.190 0.000 0.829 82 R HN 0.440 nan 8.270 nan 0.000 0.433 83 D N 0.489 120.991 120.400 0.169 0.000 2.350 83 D HA -0.202 4.438 4.640 0.000 0.000 0.216 83 D C 1.588 178.015 176.300 0.212 0.000 0.968 83 D CA 0.529 54.628 54.000 0.165 0.000 0.894 83 D CB -0.625 40.268 40.800 0.154 0.000 0.909 83 D HN 0.445 nan 8.370 nan 0.000 0.520 84 W N 2.466 123.795 121.300 0.048 0.000 2.407 84 W HA -0.221 4.439 4.660 0.000 0.000 0.305 84 W C 1.746 178.245 176.519 -0.033 0.000 1.196 84 W CA 2.489 59.848 57.345 0.023 0.000 1.311 84 W CB -0.431 28.998 29.460 -0.052 0.000 1.135 84 W HN 0.137 nan 8.180 nan 0.000 0.514 85 T N -1.087 113.295 114.554 -0.286 0.000 2.720 85 T HA -0.307 4.043 4.350 0.000 0.000 0.268 85 T C 1.721 176.433 174.700 0.020 0.000 1.037 85 T CA 1.799 63.774 62.100 -0.209 0.000 1.144 85 T CB -0.865 68.049 68.868 0.077 0.000 0.864 85 T HN 0.354 nan 8.240 nan 0.000 0.444 86 E N -0.158 120.071 120.200 0.049 0.000 2.077 86 E HA -0.139 4.211 4.350 0.000 0.000 0.193 86 E C 1.936 178.551 176.600 0.025 0.000 0.989 86 E CA 1.172 57.616 56.400 0.074 0.000 0.800 86 E CB -0.327 29.420 29.700 0.078 0.000 0.746 86 E HN 0.611 nan 8.360 nan 0.000 0.452 87 F N 1.525 121.386 119.950 -0.150 0.000 2.043 87 F HA -0.230 4.297 4.527 0.000 0.000 0.297 87 F C 2.157 177.787 175.800 -0.282 0.000 1.121 87 F CA 1.781 59.676 58.000 -0.175 0.000 1.199 87 F CB -0.307 38.608 39.000 -0.142 0.000 0.968 87 F HN -0.007 nan 8.300 nan 0.000 0.478 88 I N -0.550 119.759 120.570 -0.435 0.000 2.163 88 I HA -0.322 3.848 4.170 0.000 0.000 0.240 88 I C 2.393 178.326 176.117 -0.307 0.000 1.081 88 I CA 1.327 62.328 61.300 -0.499 0.000 1.353 88 I CB -0.833 36.756 38.000 -0.685 0.000 1.054 88 I HN 0.205 nan 8.210 nan 0.000 0.407 89 H N 0.217 119.182 119.070 -0.176 0.000 2.520 89 H HA -0.216 4.340 4.556 0.000 0.000 0.295 89 H C 1.611 176.884 175.328 -0.092 0.000 1.096 89 H CA 1.588 57.588 56.048 -0.080 0.000 1.249 89 H CB -0.210 29.524 29.762 -0.047 0.000 1.365 89 H HN 0.470 nan 8.280 nan 0.000 0.556 90 D N 0.240 120.602 120.400 -0.063 0.000 2.394 90 D HA -0.071 4.569 4.640 0.000 0.000 0.237 90 D C 2.137 178.359 176.300 -0.129 0.000 1.028 90 D CA 0.142 54.083 54.000 -0.097 0.000 0.937 90 D CB 0.352 41.060 40.800 -0.153 0.000 1.072 90 D HN 0.043 nan 8.370 nan 0.000 0.457 91 R N 1.054 121.374 120.500 -0.300 0.000 2.117 91 R HA -0.040 4.300 4.340 0.000 0.000 0.243 91 R C 2.175 178.474 176.300 -0.003 0.000 1.143 91 R CA 1.127 57.108 56.100 -0.199 0.000 0.968 91 R CB -1.243 28.708 30.300 -0.581 0.000 0.863 91 R HN 0.282 nan 8.270 nan 0.000 0.444 92 A N 1.021 123.832 122.820 -0.015 0.000 1.933 92 A HA -0.136 4.184 4.320 0.000 0.000 0.218 92 A C 2.220 179.882 177.584 0.131 0.000 1.175 92 A CA 1.159 53.279 52.037 0.138 0.000 0.628 92 A CB -0.442 18.588 19.000 0.051 0.000 0.814 92 A HN 0.223 nan 8.150 nan 0.000 0.444 93 L N -0.375 120.885 121.223 0.060 0.000 2.007 93 L HA 0.077 4.417 4.340 0.000 0.000 0.205 93 L C 2.673 179.566 176.870 0.039 0.000 1.073 93 L CA 2.176 57.045 54.840 0.048 0.000 0.744 93 L CB -0.834 41.244 42.059 0.031 0.000 0.898 93 L HN 0.298 nan 8.230 nan 0.000 0.435 94 A N -1.225 121.624 122.820 0.049 0.000 2.131 94 A HA -0.265 4.055 4.320 0.000 0.000 0.220 94 A C 2.189 179.776 177.584 0.005 0.000 1.158 94 A CA 1.889 53.971 52.037 0.074 0.000 0.665 94 A CB -1.160 17.923 19.000 0.138 0.000 0.795 94 A HN 0.633 nan 8.150 nan 0.000 0.460 95 F N -0.309 119.426 119.950 -0.358 0.000 2.219 95 F HA 0.001 4.528 4.527 0.000 0.000 0.294 95 F C 2.023 177.550 175.800 -0.455 0.000 1.086 95 F CA 1.318 58.703 58.000 -1.024 0.000 1.330 95 F CB -0.183 38.075 39.000 -1.237 0.000 1.047 95 F HN -0.021 nan 8.300 nan 0.000 0.495 96 V N 0.972 120.851 119.914 -0.058 0.000 2.469 96 V HA -0.259 3.861 4.120 0.000 0.000 0.251 96 V C 2.646 178.643 176.094 -0.161 0.000 1.064 96 V CA 1.942 64.199 62.300 -0.071 0.000 1.066 96 V CB -1.551 30.283 31.823 0.019 0.000 0.667 96 V HN 0.587 nan 8.190 nan 0.000 0.461 97 G N -0.323 108.388 108.800 -0.149 0.000 2.484 97 G HA2 -0.214 3.746 3.960 0.000 0.000 0.215 97 G HA3 -0.214 3.746 3.960 0.000 0.000 0.215 97 G C 1.676 176.485 174.900 -0.151 0.000 1.219 97 G CA 1.148 46.185 45.100 -0.104 0.000 0.791 97 G HN 0.337 nan 8.290 nan 0.000 0.550 98 V N 1.435 121.207 119.914 -0.237 0.000 2.277 98 V HA -0.254 3.866 4.120 0.000 0.000 0.253 98 V C 2.756 178.705 176.094 -0.242 0.000 1.067 98 V CA 2.137 64.298 62.300 -0.231 0.000 1.047 98 V CB -0.624 31.021 31.823 -0.296 0.000 0.649 98 V HN 0.454 nan 8.190 nan 0.000 0.447 99 L N -1.006 119.971 121.223 -0.410 0.000 2.156 99 L HA -0.106 4.234 4.340 0.000 0.000 0.208 99 L C 2.400 179.358 176.870 0.146 0.000 1.095 99 L CA 2.277 57.006 54.840 -0.185 0.000 0.770 99 L CB -0.359 41.456 42.059 -0.406 0.000 0.914 99 L HN 0.402 nan 8.230 nan 0.000 0.439 100 T N -0.388 114.226 114.554 0.101 0.000 3.014 100 T HA -0.144 4.206 4.350 0.000 0.000 0.263 100 T C 1.787 176.562 174.700 0.125 0.000 1.078 100 T CA 1.201 63.439 62.100 0.230 0.000 1.135 100 T CB -0.054 68.887 68.868 0.122 0.000 0.895 100 T HN 0.735 nan 8.240 nan 0.000 0.480 101 Q N -0.261 119.552 119.800 0.022 0.000 2.436 101 Q HA 0.037 4.377 4.340 0.000 0.000 0.209 101 Q C 2.097 178.050 176.000 -0.078 0.000 0.965 101 Q CA 0.906 56.696 55.803 -0.022 0.000 0.910 101 Q CB -0.134 28.579 28.738 -0.040 0.000 0.980 101 Q HN 0.197 nan 8.270 nan 0.000 0.491 102 R N -0.454 119.978 120.500 -0.114 0.000 2.290 102 R HA 0.135 4.475 4.340 0.000 0.000 0.197 102 R C -0.732 175.152 176.300 -0.694 0.000 0.913 102 R CA 0.508 56.393 56.100 -0.358 0.000 1.040 102 R CB 0.564 30.653 30.300 -0.353 0.000 0.992 102 R HN 0.293 nan 8.270 nan 0.000 0.500 103 Y N 0.854 121.160 120.300 0.011 0.000 2.520 103 Y HA 0.313 4.863 4.550 0.000 0.000 0.339 103 Y C -2.362 173.564 175.900 0.043 0.000 1.113 103 Y CA -3.317 54.750 58.100 -0.054 0.000 1.255 103 Y CB 1.299 39.645 38.460 -0.190 0.000 1.099 103 Y HN -0.010 nan 8.280 nan 0.000 0.628 104 P HA -0.100 nan 4.420 nan 0.000 0.255 104 P C 1.271 178.668 177.300 0.161 0.000 1.173 104 P CA 0.550 63.714 63.100 0.107 0.000 0.780 104 P CB 1.065 32.784 31.700 0.032 0.000 0.758 105 L N 4.519 125.884 121.223 0.236 0.000 2.010 105 L HA -0.288 4.052 4.340 0.000 0.000 0.219 105 L C 2.480 179.424 176.870 0.124 0.000 1.077 105 L CA 3.048 58.040 54.840 0.253 0.000 0.773 105 L CB -1.077 41.061 42.059 0.131 0.000 0.892 105 L HN 0.410 nan 8.230 nan 0.000 0.436 106 T N -3.039 111.554 114.554 0.064 0.000 2.680 106 T HA -0.362 3.988 4.350 0.000 0.000 0.268 106 T C 1.708 176.415 174.700 0.011 0.000 1.033 106 T CA 1.921 64.037 62.100 0.026 0.000 1.152 106 T CB -0.470 68.406 68.868 0.012 0.000 0.859 106 T HN 0.406 nan 8.240 nan 0.000 0.452 107 Q N 2.878 122.683 119.800 0.007 0.000 2.204 107 Q HA 0.075 4.415 4.340 0.000 0.000 0.198 107 Q C 0.561 176.529 176.000 -0.052 0.000 0.946 107 Q CA 0.958 56.746 55.803 -0.024 0.000 0.859 107 Q CB 0.119 28.838 28.738 -0.030 0.000 0.946 107 Q HN 0.865 nan 8.270 nan 0.000 0.474 108 N N -0.547 118.122 118.700 -0.052 0.000 2.791 108 N HA 0.329 5.069 4.740 0.000 0.000 0.265 108 N C -0.526 174.956 175.510 -0.046 0.000 1.580 108 N CA 0.406 53.365 53.050 -0.152 0.000 0.809 108 N CB 1.214 39.501 38.487 -0.333 0.000 1.178 108 N HN 0.131 nan 8.380 nan 0.000 0.499 109 A N 0.794 123.646 122.820 0.053 0.000 2.085 109 A HA 0.059 4.379 4.320 0.000 0.000 0.208 109 A C 1.320 178.934 177.584 0.050 0.000 1.191 109 A CA 0.260 52.415 52.037 0.197 0.000 0.799 109 A CB 0.022 19.083 19.000 0.102 0.000 0.877 109 A HN 0.441 nan 8.150 nan 0.000 0.473 110 Q N 0.238 119.989 119.800 -0.081 0.000 2.292 110 Q HA 0.147 4.487 4.340 0.000 0.000 0.235 110 Q C -0.146 175.661 176.000 -0.322 0.000 0.910 110 Q CA 0.177 55.863 55.803 -0.195 0.000 0.952 110 Q CB -0.154 28.483 28.738 -0.169 0.000 1.089 110 Q HN 0.314 nan 8.270 nan 0.000 0.431 111 R N 0.596 120.943 120.500 -0.255 0.000 2.476 111 R HA 0.225 4.565 4.340 0.000 0.000 0.305 111 R C -1.313 174.953 176.300 -0.057 0.000 0.965 111 R CA -0.787 55.150 56.100 -0.272 0.000 0.867 111 R CB 0.971 31.037 30.300 -0.389 0.000 1.176 111 R HN 0.132 nan 8.270 nan 0.000 0.447 112 Y N 2.207 122.507 120.300 -0.000 0.000 2.650 112 Y HA -0.055 4.495 4.550 0.000 0.000 0.331 112 Y C 1.373 177.256 175.900 -0.029 0.000 1.165 112 Y CA 0.287 58.346 58.100 -0.067 0.000 1.473 112 Y CB 0.246 38.528 38.460 -0.297 0.000 1.224 112 Y HN 0.487 nan 8.280 nan 0.000 0.533 113 T N 0.035 114.680 114.554 0.153 0.000 2.860 113 T HA 0.040 4.390 4.350 0.000 0.000 0.299 113 T C 0.190 174.953 174.700 0.106 0.000 1.045 113 T CA -1.007 61.062 62.100 -0.051 0.000 1.071 113 T CB 0.690 69.532 68.868 -0.043 0.000 0.985 113 T HN 0.611 nan 8.240 nan 0.000 0.537 114 N N 2.334 121.100 118.700 0.110 0.000 2.437 114 N HA 0.221 4.961 4.740 0.000 0.000 0.243 114 N C -1.864 173.620 175.510 -0.044 0.000 1.041 114 N CA -2.218 50.980 53.050 0.246 0.000 0.940 114 N CB 1.101 39.680 38.487 0.153 0.000 1.133 114 N HN 0.258 nan 8.380 nan 0.000 0.506 115 P HA -0.261 nan 4.420 nan 0.000 0.221 115 P C 1.490 178.449 177.300 -0.568 0.000 1.160 115 P CA 1.589 64.359 63.100 -0.549 0.000 0.933 115 P CB 0.326 31.396 31.700 -1.050 0.000 0.793 116 L N -1.374 119.553 121.223 -0.492 0.000 1.948 116 L HA -0.162 4.178 4.340 0.000 0.000 0.212 116 L C 2.548 179.326 176.870 -0.154 0.000 1.074 116 L CA 1.538 56.192 54.840 -0.309 0.000 0.753 116 L CB -1.554 40.286 42.059 -0.364 0.000 0.888 116 L HN -0.098 nan 8.230 nan 0.000 0.432 117 V N 0.327 120.184 119.914 -0.094 0.000 2.324 117 V HA -0.317 3.803 4.120 0.000 0.000 0.250 117 V C 2.423 178.480 176.094 -0.062 0.000 1.060 117 V CA 1.903 64.201 62.300 -0.004 0.000 1.042 117 V CB -0.190 31.690 31.823 0.095 0.000 0.650 117 V HN 0.368 nan 8.190 nan 0.000 0.450 118 L N -0.088 121.099 121.223 -0.059 0.000 2.079 118 L HA -0.101 4.239 4.340 0.000 0.000 0.210 118 L C 2.348 179.209 176.870 -0.014 0.000 1.081 118 L CA 2.049 56.880 54.840 -0.015 0.000 0.752 118 L CB -0.939 41.096 42.059 -0.040 0.000 0.896 118 L HN 0.496 nan 8.230 nan 0.000 0.433 119 G N -1.082 107.687 108.800 -0.051 0.000 2.453 119 G HA2 -0.285 3.675 3.960 0.000 0.000 0.215 119 G HA3 -0.285 3.675 3.960 0.000 0.000 0.215 119 G C 1.616 176.512 174.900 -0.006 0.000 1.201 119 G CA 0.710 45.814 45.100 0.007 0.000 0.784 119 G HN 0.540 nan 8.290 nan 0.000 0.545 120 A N 1.004 123.749 122.820 -0.126 0.000 1.972 120 A HA 0.262 4.582 4.320 0.000 0.000 0.219 120 A C 2.751 179.942 177.584 -0.656 0.000 1.169 120 A CA 2.248 54.098 52.037 -0.311 0.000 0.635 120 A CB -0.679 18.109 19.000 -0.353 0.000 0.810 120 A HN 0.841 nan 8.150 nan 0.000 0.446 121 A N -1.822 120.624 122.820 -0.623 0.000 2.015 121 A HA 0.059 4.379 4.320 0.000 0.000 0.219 121 A C 1.946 179.596 177.584 0.110 0.000 1.163 121 A CA 1.481 53.294 52.037 -0.374 0.000 0.646 121 A CB -0.503 18.511 19.000 0.024 0.000 0.806 121 A HN 0.662 nan 8.150 nan 0.000 0.448 122 F N 0.226 120.101 119.950 -0.125 0.000 2.317 122 F HA 0.236 4.763 4.527 0.000 0.000 0.290 122 F C 2.231 177.919 175.800 -0.186 0.000 1.075 122 F CA 1.018 58.793 58.000 -0.376 0.000 1.380 122 F CB -0.458 38.124 39.000 -0.696 0.000 1.093 122 F HN 0.190 nan 8.300 nan 0.000 0.524 123 G N -0.188 108.698 108.800 0.145 0.000 2.422 123 G HA2 -0.251 3.709 3.960 0.000 0.000 0.218 123 G HA3 -0.251 3.709 3.960 0.000 0.000 0.218 123 G C 1.128 176.090 174.900 0.104 0.000 1.146 123 G CA 1.142 46.367 45.100 0.208 0.000 0.769 123 G HN 0.306 nan 8.290 nan 0.000 0.547 124 D N -0.570 119.874 120.400 0.072 0.000 2.224 124 D HA -0.033 4.607 4.640 0.000 0.000 0.205 124 D C 1.803 178.173 176.300 0.116 0.000 0.965 124 D CA 0.147 54.231 54.000 0.141 0.000 0.852 124 D CB -0.230 40.688 40.800 0.196 0.000 0.947 124 D HN 0.326 nan 8.370 nan 0.000 0.494 125 F N 0.959 120.854 119.950 -0.092 0.000 2.146 125 F HA -0.099 4.428 4.527 0.000 0.000 0.298 125 F C 1.845 177.502 175.800 -0.238 0.000 1.096 125 F CA 1.126 59.060 58.000 -0.110 0.000 1.275 125 F CB -0.028 38.949 39.000 -0.038 0.000 1.008 125 F HN -0.108 nan 8.300 nan 0.000 0.480 126 L N 0.236 121.204 121.223 -0.425 0.000 1.994 126 L HA -0.256 4.084 4.340 0.000 0.000 0.208 126 L C 1.916 178.671 176.870 -0.192 0.000 1.071 126 L CA 1.394 55.914 54.840 -0.532 0.000 0.745 126 L CB -1.080 40.327 42.059 -1.088 0.000 0.892 126 L HN 0.157 nan 8.230 nan 0.000 0.431 127 N N 0.456 119.162 118.700 0.009 0.000 2.635 127 N HA -0.081 4.659 4.740 0.000 0.000 0.191 127 N C 1.012 176.603 175.510 0.136 0.000 1.155 127 N CA 0.979 54.218 53.050 0.316 0.000 0.927 127 N CB -0.029 38.698 38.487 0.400 0.000 0.976 127 N HN 0.379 nan 8.380 nan 0.000 0.448 128 A N 0.246 123.030 122.820 -0.061 0.000 2.930 128 A HA -0.249 4.071 4.320 0.000 0.000 0.273 128 A C 0.120 177.680 177.584 -0.039 0.000 1.435 128 A CA 0.610 52.566 52.037 -0.134 0.000 0.780 128 A CB -2.076 16.866 19.000 -0.098 0.000 1.034 128 A HN 0.397 nan 8.150 nan 0.000 0.562 129 R N 0.448 120.969 120.500 0.035 0.000 2.428 129 R HA 0.540 4.880 4.340 0.000 0.000 0.294 129 R C 0.399 176.775 176.300 0.126 0.000 1.000 129 R CA -0.175 55.985 56.100 0.100 0.000 0.960 129 R CB 1.050 31.454 30.300 0.174 0.000 1.076 129 R HN 0.394 nan 8.270 nan 0.000 0.475 130 S N 2.072 117.836 115.700 0.107 0.000 2.593 130 S HA -0.077 4.393 4.470 0.000 0.000 0.300 130 S C 0.934 175.648 174.600 0.190 0.000 1.267 130 S CA 0.116 58.382 58.200 0.110 0.000 1.065 130 S CB 0.169 63.408 63.200 0.064 0.000 0.807 130 S HN 0.568 nan 8.310 nan 0.000 0.499 131 I N 1.987 122.690 120.570 0.222 0.000 3.941 131 I HA 0.043 4.213 4.170 0.000 0.000 0.335 131 I C 0.413 176.660 176.117 0.217 0.000 1.402 131 I CA -0.036 61.470 61.300 0.344 0.000 1.112 131 I CB 0.025 38.256 38.000 0.385 0.000 1.043 131 I HN 0.502 nan 8.210 nan 0.000 0.395 132 D N 1.726 122.178 120.400 0.086 0.000 2.127 132 D HA -0.278 4.362 4.640 0.000 0.000 0.190 132 D C 2.181 178.453 176.300 -0.047 0.000 1.000 132 D CA 2.350 56.355 54.000 0.008 0.000 0.839 132 D CB -0.262 40.516 40.800 -0.037 0.000 0.955 132 D HN 0.598 nan 8.370 nan 0.000 0.446 133 I N -1.929 118.535 120.570 -0.177 0.000 2.208 133 I HA -0.259 3.911 4.170 0.000 0.000 0.245 133 I C 1.946 177.915 176.117 -0.246 0.000 1.097 133 I CA 1.374 62.476 61.300 -0.331 0.000 1.363 133 I CB -0.684 36.975 38.000 -0.569 0.000 1.051 133 I HN -0.177 nan 8.210 nan 0.000 0.413 134 F N 1.620 121.590 119.950 0.034 0.000 2.171 134 F HA -0.094 4.433 4.527 0.000 0.000 0.300 134 F C 2.373 178.218 175.800 0.075 0.000 1.090 134 F CA 1.424 59.464 58.000 0.067 0.000 1.293 134 F CB -0.906 38.159 39.000 0.108 0.000 1.013 134 F HN 0.030 nan 8.300 nan 0.000 0.486 135 L N 0.238 121.618 121.223 0.262 0.000 2.042 135 L HA -0.267 4.073 4.340 0.000 0.000 0.210 135 L C 2.567 179.619 176.870 0.304 0.000 1.076 135 L CA 1.754 56.757 54.840 0.273 0.000 0.749 135 L CB -1.113 41.083 42.059 0.229 0.000 0.893 135 L HN 0.267 nan 8.230 nan 0.000 0.432 136 D N 1.984 122.498 120.400 0.191 0.000 2.218 136 D HA -0.303 4.337 4.640 0.000 0.000 0.194 136 D C 1.361 177.805 176.300 0.240 0.000 1.007 136 D CA 1.985 56.098 54.000 0.189 0.000 0.879 136 D CB -0.212 40.635 40.800 0.079 0.000 0.918 136 D HN 0.560 nan 8.370 nan 0.000 0.449 137 R N -0.128 120.492 120.500 0.198 0.000 2.776 137 R HA 0.349 4.689 4.340 0.000 0.000 0.391 137 R C 1.322 177.678 176.300 0.095 0.000 1.116 137 R CA -0.386 55.821 56.100 0.179 0.000 1.056 137 R CB -0.653 29.752 30.300 0.174 0.000 1.369 137 R HN 0.098 nan 8.270 nan 0.000 0.590 138 L N 0.674 121.879 121.223 -0.031 0.000 2.633 138 L HA 0.218 4.558 4.340 0.000 0.000 0.235 138 L C -0.642 175.751 176.870 -0.796 0.000 1.163 138 L CA 0.835 55.436 54.840 -0.398 0.000 0.859 138 L CB 0.074 41.768 42.059 -0.608 0.000 0.973 138 L HN 0.213 nan 8.230 nan 0.000 0.451 139 F N -1.830 118.069 119.950 -0.086 0.000 2.640 139 F HA 0.515 5.042 4.527 0.000 0.000 0.324 139 F C -0.574 175.302 175.800 0.126 0.000 1.077 139 F CA -1.065 56.900 58.000 -0.057 0.000 0.965 139 F CB 1.412 40.264 39.000 -0.247 0.000 1.351 139 F HN -0.151 nan 8.300 nan 0.000 0.487 140 Y N -1.101 119.315 120.300 0.192 0.000 2.521 140 Y HA 0.428 4.978 4.550 0.000 0.000 0.326 140 Y C -1.831 174.160 175.900 0.152 0.000 1.176 140 Y CA -1.695 56.485 58.100 0.133 0.000 1.079 140 Y CB 0.707 39.219 38.460 0.087 0.000 1.341 140 Y HN 0.569 nan 8.280 nan 0.000 0.456 141 D N 5.478 125.952 120.400 0.124 0.000 2.383 141 D HA 0.295 4.935 4.640 0.000 0.000 0.252 141 D C -1.842 174.522 176.300 0.106 0.000 1.166 141 D CA -2.185 51.848 54.000 0.055 0.000 0.879 141 D CB 1.719 42.574 40.800 0.092 0.000 1.164 141 D HN 0.434 nan 8.370 nan 0.000 0.462 142 P HA -0.237 nan 4.420 nan 0.000 0.218 142 P C 1.292 178.696 177.300 0.173 0.000 1.150 142 P CA 2.219 65.352 63.100 0.054 0.000 0.841 142 P CB -0.046 31.589 31.700 -0.108 0.000 0.784 143 T N -3.509 111.120 114.554 0.125 0.000 2.652 143 T HA -0.184 4.166 4.350 0.000 0.000 0.267 143 T C 0.951 175.727 174.700 0.127 0.000 1.039 143 T CA 0.908 63.071 62.100 0.105 0.000 1.153 143 T CB -1.114 67.799 68.868 0.076 0.000 0.863 143 T HN 0.199 nan 8.240 nan 0.000 0.428 144 Q N 2.847 122.746 119.800 0.166 0.000 2.313 144 Q HA 0.180 4.520 4.340 0.000 0.000 0.266 144 Q C -0.514 175.561 176.000 0.125 0.000 0.989 144 Q CA -0.673 55.211 55.803 0.135 0.000 0.890 144 Q CB 0.425 29.250 28.738 0.146 0.000 1.200 144 Q HN 0.561 nan 8.270 nan 0.000 0.396 145 D N 1.406 121.832 120.400 0.042 0.000 2.515 145 D HA -0.125 4.515 4.640 0.000 0.000 0.232 145 D C 0.883 177.060 176.300 -0.204 0.000 1.157 145 D CA 0.274 54.261 54.000 -0.022 0.000 0.871 145 D CB 0.705 41.489 40.800 -0.026 0.000 1.200 145 D HN 0.540 nan 8.370 nan 0.000 0.466 146 S N 1.498 117.019 115.700 -0.297 0.000 2.368 146 S HA -0.083 4.387 4.470 0.000 0.000 0.225 146 S C -0.705 173.627 174.600 -0.448 0.000 1.030 146 S CA 0.918 58.717 58.200 -0.667 0.000 0.999 146 S CB -0.521 62.476 63.200 -0.338 0.000 0.844 146 S HN 0.475 nan 8.310 nan 0.000 0.459 147 P HA 0.123 nan 4.420 nan 0.000 0.235 147 P C 1.612 178.863 177.300 -0.082 0.000 1.177 147 P CA 0.426 63.429 63.100 -0.162 0.000 0.785 147 P CB -0.071 31.582 31.700 -0.078 0.000 0.885 148 I N 0.009 120.530 120.570 -0.082 0.000 2.333 148 I HA -0.125 4.045 4.170 0.000 0.000 0.246 148 I C 1.811 177.920 176.117 -0.014 0.000 1.106 148 I CA 1.264 62.552 61.300 -0.020 0.000 1.411 148 I CB -0.329 37.670 38.000 -0.002 0.000 1.082 148 I HN -0.102 nan 8.210 nan 0.000 0.420 149 T N 1.255 115.771 114.554 -0.063 0.000 2.803 149 T HA -0.149 4.201 4.350 0.000 0.000 0.269 149 T C 1.875 176.592 174.700 0.028 0.000 1.052 149 T CA 1.283 63.380 62.100 -0.004 0.000 1.136 149 T CB -0.313 68.548 68.868 -0.010 0.000 0.864 149 T HN 0.526 nan 8.240 nan 0.000 0.467 150 A N 1.451 124.265 122.820 -0.009 0.000 1.972 150 A HA -0.020 4.300 4.320 0.000 0.000 0.219 150 A C 2.277 179.925 177.584 0.107 0.000 1.169 150 A CA 1.472 53.539 52.037 0.051 0.000 0.635 150 A CB -0.660 18.346 19.000 0.010 0.000 0.810 150 A HN 0.748 nan 8.150 nan 0.000 0.446 151 I N -4.396 116.225 120.570 0.085 0.000 2.512 151 I HA -0.001 4.169 4.170 0.000 0.000 0.247 151 I C 2.295 178.468 176.117 0.094 0.000 1.094 151 I CA 1.644 63.008 61.300 0.106 0.000 1.427 151 I CB -1.074 36.980 38.000 0.090 0.000 1.149 151 I HN 0.148 nan 8.210 nan 0.000 0.438 152 T N 1.316 115.908 114.554 0.063 0.000 2.635 152 T HA -0.272 4.078 4.350 0.000 0.000 0.267 152 T C 1.957 176.671 174.700 0.024 0.000 1.040 152 T CA 2.612 64.735 62.100 0.038 0.000 1.156 152 T CB -0.284 68.606 68.868 0.036 0.000 0.863 152 T HN 0.343 nan 8.240 nan 0.000 0.430 153 K N -0.530 119.914 120.400 0.074 0.000 2.074 153 K HA 0.043 4.363 4.320 0.000 0.000 0.209 153 K C -0.249 176.410 176.600 0.098 0.000 1.048 153 K CA 1.208 57.557 56.287 0.104 0.000 0.926 153 K CB -0.174 32.439 32.500 0.188 0.000 0.713 153 K HN 0.471 nan 8.250 nan 0.000 0.444 154 F N -2.194 117.809 119.950 0.088 0.000 2.680 154 F HA 0.231 4.758 4.527 0.000 0.000 0.315 154 F C -2.596 173.300 175.800 0.160 0.000 1.099 154 F CA -1.835 56.236 58.000 0.118 0.000 1.033 154 F CB 2.092 41.150 39.000 0.097 0.000 1.285 154 F HN -0.186 nan 8.300 nan 0.000 0.457 155 P HA 0.168 nan 4.420 nan 0.000 0.205 155 P C -1.221 176.332 177.300 0.423 0.000 1.858 155 P CA 0.039 63.326 63.100 0.311 0.000 0.998 155 P CB -0.374 31.446 31.700 0.200 0.000 1.875 156 Y N 1.482 121.976 120.300 0.323 0.000 2.627 156 Y HA 0.102 4.652 4.550 0.000 0.000 0.347 156 Y C 1.264 177.253 175.900 0.149 0.000 1.099 156 Y CA -0.106 58.214 58.100 0.367 0.000 1.408 156 Y CB 0.472 39.076 38.460 0.240 0.000 1.247 156 Y HN 0.130 nan 8.280 nan 0.000 0.506 157 Q N 5.583 125.061 119.800 -0.537 0.000 2.294 157 Q HA 0.003 4.343 4.340 0.000 0.000 0.256 157 Q C -0.136 175.187 176.000 -1.128 0.000 0.907 157 Q CA 0.109 55.401 55.803 -0.852 0.000 0.954 157 Q CB 0.093 28.249 28.738 -0.970 0.000 1.102 157 Q HN 0.913 nan 8.270 nan 0.000 0.429 158 W N -1.270 119.732 121.300 -0.497 0.000 3.520 158 W HA 0.084 4.744 4.660 0.000 0.000 0.223 158 W C 0.796 177.226 176.519 -0.149 0.000 1.110 158 W CA -0.286 56.838 57.345 -0.370 0.000 1.552 158 W CB -0.215 28.922 29.460 -0.538 0.000 0.775 158 W HN 0.090 nan 8.180 nan 0.000 0.794 159 T N 3.912 118.569 114.554 0.172 0.000 2.736 159 T HA 0.162 4.512 4.350 0.000 0.000 0.275 159 T C 0.351 175.168 174.700 0.195 0.000 0.962 159 T CA 0.115 62.358 62.100 0.239 0.000 1.214 159 T CB -0.651 68.370 68.868 0.256 0.000 0.904 159 T HN -0.083 nan 8.240 nan 0.000 0.529 160 I N 5.649 126.323 120.570 0.174 0.000 2.845 160 I HA -0.051 4.119 4.170 0.000 0.000 0.296 160 I C 0.883 177.111 176.117 0.184 0.000 1.216 160 I CA 0.334 61.722 61.300 0.146 0.000 1.438 160 I CB 0.155 38.236 38.000 0.135 0.000 1.342 160 I HN 0.741 nan 8.210 nan 0.000 0.577 161 D N 3.009 123.490 120.400 0.136 0.000 3.099 161 D HA -0.175 4.465 4.640 0.000 0.000 0.213 161 D C 0.261 176.673 176.300 0.186 0.000 1.121 161 D CA 1.362 55.445 54.000 0.138 0.000 0.951 161 D CB -1.221 39.677 40.800 0.164 0.000 1.102 161 D HN 0.605 nan 8.370 nan 0.000 0.423 162 S N -0.282 115.542 115.700 0.207 0.000 2.631 162 S HA 0.057 4.527 4.470 0.000 0.000 0.159 162 S C -0.959 173.766 174.600 0.208 0.000 0.896 162 S CA -0.608 57.746 58.200 0.257 0.000 1.022 162 S CB -0.219 63.266 63.200 0.475 0.000 1.722 162 S HN 0.126 nan 8.310 nan 0.000 0.520 163 N N 1.927 120.699 118.700 0.120 0.000 2.405 163 N HA 0.194 4.934 4.740 0.000 0.000 0.260 163 N C -0.290 175.277 175.510 0.095 0.000 1.152 163 N CA 0.059 53.144 53.050 0.058 0.000 0.948 163 N CB 1.187 39.669 38.487 -0.008 0.000 1.111 163 N HN 0.248 nan 8.380 nan 0.000 0.485 164 V N 2.000 121.985 119.914 0.118 0.000 2.364 164 V HA 0.334 4.454 4.120 0.000 0.000 0.272 164 V C 1.071 177.224 176.094 0.099 0.000 1.036 164 V CA -0.658 61.730 62.300 0.147 0.000 0.880 164 V CB 0.744 32.691 31.823 0.207 0.000 0.991 164 V HN 0.727 nan 8.190 nan 0.000 0.460 165 T N 0.715 115.325 114.554 0.093 0.000 2.864 165 T HA 0.264 4.614 4.350 0.000 0.000 0.276 165 T C 1.476 176.230 174.700 0.090 0.000 1.006 165 T CA 0.294 62.429 62.100 0.059 0.000 0.970 165 T CB 1.265 70.161 68.868 0.047 0.000 1.420 165 T HN 0.672 nan 8.240 nan 0.000 0.601 166 T N -0.886 113.711 114.554 0.073 0.000 2.857 166 T HA -0.053 4.297 4.350 0.000 0.000 0.266 166 T C 1.194 175.946 174.700 0.086 0.000 1.048 166 T CA 1.464 63.609 62.100 0.075 0.000 1.139 166 T CB -0.573 68.329 68.868 0.057 0.000 0.874 166 T HN 0.788 nan 8.240 nan 0.000 0.455 167 D N 1.062 121.518 120.400 0.094 0.000 2.454 167 D HA 0.148 4.788 4.640 0.000 0.000 0.214 167 D C 0.777 177.182 176.300 0.175 0.000 1.088 167 D CA 0.064 54.136 54.000 0.119 0.000 0.855 167 D CB -0.005 40.853 40.800 0.097 0.000 1.025 167 D HN 0.585 nan 8.370 nan 0.000 0.502 168 S N -0.547 115.263 115.700 0.182 0.000 2.569 168 S HA 0.651 5.121 4.470 0.000 0.000 0.280 168 S C -0.855 173.897 174.600 0.253 0.000 1.111 168 S CA -0.827 57.528 58.200 0.259 0.000 0.887 168 S CB 2.443 65.820 63.200 0.295 0.000 1.095 168 S HN -0.080 nan 8.310 nan 0.000 0.476 169 V N 2.251 122.352 119.914 0.312 0.000 2.289 169 V HA 0.458 4.578 4.120 0.000 0.000 0.272 169 V C 0.293 176.543 176.094 0.260 0.000 1.026 169 V CA -0.594 61.867 62.300 0.267 0.000 0.807 169 V CB 0.627 32.593 31.823 0.238 0.000 1.044 169 V HN 0.945 nan 8.190 nan 0.000 0.443 170 R N 3.680 124.267 120.500 0.144 0.000 2.309 170 R HA 0.378 4.718 4.340 0.000 0.000 0.331 170 R C 0.132 176.366 176.300 -0.111 0.000 1.116 170 R CA 0.181 56.187 56.100 -0.157 0.000 0.970 170 R CB 0.314 30.490 30.300 -0.206 0.000 1.024 170 R HN 0.792 nan 8.270 nan 0.000 0.472 171 T N 0.176 114.673 114.554 -0.094 0.000 2.908 171 T HA 0.241 4.591 4.350 0.000 0.000 0.290 171 T C -0.164 174.483 174.700 -0.090 0.000 1.034 171 T CA -0.848 61.251 62.100 -0.003 0.000 1.010 171 T CB 1.811 70.765 68.868 0.143 0.000 1.068 171 T HN 0.335 nan 8.240 nan 0.000 0.481 172 S N 1.248 116.916 115.700 -0.053 0.000 2.510 172 S HA 0.517 4.987 4.470 0.000 0.000 0.279 172 S C 0.875 175.422 174.600 -0.089 0.000 1.284 172 S CA -0.390 57.748 58.200 -0.104 0.000 1.059 172 S CB -0.789 62.374 63.200 -0.062 0.000 0.901 172 S HN 1.183 nan 8.310 nan 0.000 0.491 173 A N 4.630 127.336 122.820 -0.191 0.000 2.577 173 A HA 0.443 4.763 4.320 0.000 0.000 0.233 173 A C 1.189 178.751 177.584 -0.037 0.000 1.076 173 A CA 0.340 52.286 52.037 -0.153 0.000 0.767 173 A CB -0.705 18.067 19.000 -0.379 0.000 1.017 173 A HN 1.130 nan 8.150 nan 0.000 0.511 174 G N -1.348 107.501 108.800 0.081 0.000 2.447 174 G HA2 0.341 4.301 3.960 0.000 0.000 0.269 174 G HA3 0.341 4.301 3.960 0.000 0.000 0.269 174 G C -0.188 174.829 174.900 0.194 0.000 1.455 174 G CA 0.496 45.669 45.100 0.122 0.000 1.061 174 G HN 1.126 nan 8.290 nan 0.000 0.545 175 C N 0.583 119.951 119.300 0.113 0.000 3.498 175 C HA 0.348 4.808 4.460 0.000 0.000 0.218 175 C C 1.070 176.052 174.990 -0.013 0.000 1.284 175 C CA -1.205 57.856 59.018 0.072 0.000 1.343 175 C CB 0.421 28.106 27.740 -0.091 0.000 1.825 175 C HN 0.650 nan 8.230 nan 0.000 0.518 176 K N 0.330 120.720 120.400 -0.018 0.000 2.589 176 K HA -0.089 4.231 4.320 0.000 0.000 0.195 176 K C -0.484 175.743 176.600 -0.623 0.000 1.042 176 K CA 1.143 57.274 56.287 -0.260 0.000 0.940 176 K CB -0.330 32.036 32.500 -0.223 0.000 0.776 176 K HN 0.728 nan 8.250 nan 0.000 0.487 177 Y N 0.158 120.408 120.300 -0.082 0.000 2.358 177 Y HA 0.294 4.844 4.550 0.000 0.000 0.324 177 Y C -0.053 175.754 175.900 -0.155 0.000 1.123 177 Y CA -1.596 56.436 58.100 -0.114 0.000 1.067 177 Y CB 1.489 39.882 38.460 -0.110 0.000 1.230 177 Y HN -0.135 nan 8.280 nan 0.000 0.429 178 I N 0.591 121.116 120.570 -0.075 0.000 2.530 178 I HA 0.734 4.904 4.170 0.000 0.000 0.297 178 I C -0.517 175.467 176.117 -0.222 0.000 1.011 178 I CA -0.829 60.373 61.300 -0.164 0.000 1.107 178 I CB 1.865 39.695 38.000 -0.283 0.000 1.285 178 I HN 0.628 nan 8.210 nan 0.000 0.436 179 T N 4.103 118.522 114.554 -0.224 0.000 2.788 179 T HA 0.601 4.951 4.350 0.000 0.000 0.296 179 T C -0.239 174.347 174.700 -0.190 0.000 1.009 179 T CA -0.653 61.252 62.100 -0.325 0.000 0.949 179 T CB 0.907 69.398 68.868 -0.627 0.000 0.946 179 T HN 0.433 nan 8.240 nan 0.000 0.453 180 L N 3.880 125.005 121.223 -0.163 0.000 2.426 180 L HA 0.262 4.602 4.340 0.000 0.000 0.271 180 L C 0.491 177.373 176.870 0.019 0.000 1.169 180 L CA -0.672 54.126 54.840 -0.069 0.000 0.836 180 L CB -0.351 41.709 42.059 0.003 0.000 1.112 180 L HN 0.740 nan 8.230 nan 0.000 0.465 181 Y N 3.106 123.372 120.300 -0.057 0.000 2.996 181 Y HA 0.194 4.744 4.550 0.000 0.000 0.347 181 Y C 1.125 177.031 175.900 0.009 0.000 1.276 181 Y CA 1.130 59.214 58.100 -0.028 0.000 1.601 181 Y CB 0.052 38.489 38.460 -0.039 0.000 1.193 181 Y HN 0.802 nan 8.280 nan 0.000 0.582 182 G N 3.862 112.202 108.800 -0.767 0.000 2.148 182 G HA2 -0.270 3.690 3.960 0.000 0.000 0.157 182 G HA3 -0.270 3.690 3.960 0.000 0.000 0.157 182 G C -0.796 173.946 174.900 -0.263 0.000 1.012 182 G CA -0.220 44.490 45.100 -0.651 0.000 0.677 182 G HN 1.042 nan 8.290 nan 0.000 0.506 183 Y N 2.008 122.127 120.300 -0.302 0.000 2.387 183 Y HA 0.609 5.159 4.550 0.000 0.000 0.336 183 Y C -0.709 175.050 175.900 -0.235 0.000 1.067 183 Y CA -0.466 57.491 58.100 -0.238 0.000 1.114 183 Y CB 1.576 39.904 38.460 -0.220 0.000 1.208 183 Y HN 0.255 nan 8.280 nan 0.000 0.458 184 D N 6.573 126.286 120.400 -1.145 0.000 2.966 184 D HA 0.150 4.790 4.640 0.000 0.000 0.222 184 D C -2.851 172.852 176.300 -0.996 0.000 1.292 184 D CA -1.943 51.467 54.000 -0.983 0.000 0.907 184 D CB 2.191 42.698 40.800 -0.488 0.000 1.621 184 D HN 0.394 nan 8.370 nan 0.000 0.557 185 P HA -0.072 nan 4.420 nan 0.000 0.242 185 P C 1.196 178.270 177.300 -0.376 0.000 1.197 185 P CA 0.232 63.017 63.100 -0.525 0.000 0.765 185 P CB 0.603 32.080 31.700 -0.371 0.000 0.936 186 S N 0.439 115.931 115.700 -0.347 0.000 2.344 186 S HA -0.075 4.395 4.470 0.000 0.000 0.217 186 S C 1.140 175.611 174.600 -0.215 0.000 1.033 186 S CA 0.534 58.586 58.200 -0.247 0.000 1.017 186 S CB -0.562 62.508 63.200 -0.217 0.000 0.941 186 S HN 0.133 nan 8.310 nan 0.000 0.430 187 R N 1.642 122.012 120.500 -0.215 0.000 2.537 187 R HA 0.049 4.389 4.340 0.000 0.000 0.281 187 R C -2.003 174.202 176.300 -0.157 0.000 0.988 187 R CA -0.602 55.398 56.100 -0.166 0.000 1.077 187 R CB -0.006 30.201 30.300 -0.156 0.000 0.932 187 R HN 0.340 nan 8.270 nan 0.000 0.409 188 P HA -0.024 nan 4.420 nan 0.000 0.229 188 P C 0.427 177.675 177.300 -0.088 0.000 1.160 188 P CA 0.897 63.932 63.100 -0.108 0.000 0.777 188 P CB 0.447 32.096 31.700 -0.084 0.000 0.814 189 S N -1.131 114.520 115.700 -0.083 0.000 2.377 189 S HA -0.044 4.426 4.470 0.000 0.000 0.223 189 S C 1.006 175.573 174.600 -0.055 0.000 1.030 189 S CA 0.908 59.072 58.200 -0.060 0.000 0.970 189 S CB -1.283 61.884 63.200 -0.056 0.000 0.830 189 S HN 0.313 nan 8.310 nan 0.000 0.473 190 T N 2.735 117.246 114.554 -0.071 0.000 2.933 190 T HA 0.091 4.441 4.350 0.000 0.000 0.306 190 T C -2.636 172.041 174.700 -0.038 0.000 1.045 190 T CA -1.255 60.823 62.100 -0.037 0.000 1.143 190 T CB -0.092 68.756 68.868 -0.034 0.000 1.003 190 T HN 0.062 nan 8.240 nan 0.000 0.540 191 P HA 0.211 nan 4.420 nan 0.000 0.268 191 P C -0.114 177.084 177.300 -0.170 0.000 1.204 191 P CA -0.355 62.709 63.100 -0.059 0.000 0.768 191 P CB 0.256 31.954 31.700 -0.004 0.000 0.842 192 A N 3.348 126.016 122.820 -0.254 0.000 2.507 192 A HA 0.040 4.360 4.320 0.000 0.000 0.281 192 A C 1.732 178.769 177.584 -0.913 0.000 1.154 192 A CA 0.400 52.159 52.037 -0.464 0.000 0.828 192 A CB -0.960 17.713 19.000 -0.544 0.000 1.069 192 A HN 0.630 nan 8.150 nan 0.000 0.522 193 T N 2.027 116.198 114.554 -0.638 0.000 2.985 193 T HA -0.011 4.339 4.350 0.000 0.000 0.266 193 T C 0.308 174.646 174.700 -0.602 0.000 1.076 193 T CA 1.732 63.331 62.100 -0.835 0.000 1.135 193 T CB -0.500 68.152 68.868 -0.360 0.000 0.890 193 T HN 0.930 nan 8.240 nan 0.000 0.480 194 Y N -1.019 119.193 120.300 -0.145 0.000 4.569 194 Y HA -0.201 4.349 4.550 0.000 0.000 0.237 194 Y C 1.411 177.194 175.900 -0.196 0.000 1.090 194 Y CA 0.567 58.511 58.100 -0.260 0.000 2.052 194 Y CB -2.082 36.193 38.460 -0.308 0.000 1.621 194 Y HN 0.385 nan 8.280 nan 0.000 0.682 195 G N -1.034 107.821 108.800 0.092 0.000 2.245 195 G HA2 -0.453 3.507 3.960 0.000 0.000 0.264 195 G HA3 -0.453 3.507 3.960 0.000 0.000 0.264 195 G C 1.022 175.677 174.900 -0.408 0.000 0.985 195 G CA 0.746 45.797 45.100 -0.082 0.000 0.625 195 G HN 0.414 nan 8.290 nan 0.000 0.536 196 K N 1.031 121.180 120.400 -0.418 0.000 2.515 196 K HA 0.042 4.362 4.320 0.000 0.000 0.196 196 K C 2.025 178.480 176.600 -0.241 0.000 1.038 196 K CA 1.197 57.114 56.287 -0.617 0.000 0.967 196 K CB -0.329 31.938 32.500 -0.389 0.000 0.780 196 K HN 0.877 nan 8.250 nan 0.000 0.483 197 H N -1.299 117.687 119.070 -0.139 0.000 2.521 197 H HA 0.065 4.621 4.556 0.000 0.000 0.286 197 H C 0.742 176.026 175.328 -0.073 0.000 1.034 197 H CA 0.253 56.219 56.048 -0.135 0.000 1.278 197 H CB -0.020 29.587 29.762 -0.259 0.000 1.386 197 H HN -0.138 nan 8.280 nan 0.000 0.567 198 R N 1.904 122.094 120.500 -0.515 0.000 2.637 198 R HA 0.182 4.522 4.340 0.000 0.000 0.269 198 R C -1.679 174.598 176.300 -0.037 0.000 1.089 198 R CA -1.899 54.048 56.100 -0.254 0.000 1.177 198 R CB 0.383 30.540 30.300 -0.239 0.000 1.091 198 R HN 0.107 nan 8.270 nan 0.000 0.540 199 P HA 0.040 nan 4.420 nan 0.000 0.215 199 P C -0.289 177.025 177.300 0.023 0.000 1.157 199 P CA 0.868 63.959 63.100 -0.014 0.000 0.869 199 P CB 0.270 31.960 31.700 -0.017 0.000 0.781 200 T N -0.720 113.845 114.554 0.018 0.000 3.254 200 T HA 0.266 4.616 4.350 0.000 0.000 0.385 200 T C 0.075 174.759 174.700 -0.026 0.000 1.528 200 T CA -0.656 61.416 62.100 -0.047 0.000 1.212 200 T CB -0.742 68.107 68.868 -0.033 0.000 1.145 200 T HN 0.082 nan 8.240 nan 0.000 0.631 201 Y N 2.680 122.944 120.300 -0.060 0.000 2.444 201 Y HA 0.810 5.360 4.550 0.000 0.000 0.252 201 Y C 0.293 176.161 175.900 -0.054 0.000 1.091 201 Y CA -0.342 57.722 58.100 -0.061 0.000 1.276 201 Y CB 0.098 38.513 38.460 -0.075 0.000 1.170 201 Y HN 0.585 nan 8.280 nan 0.000 0.517 202 A N 0.120 122.395 122.820 -0.908 0.000 2.552 202 A HA 0.836 5.156 4.320 0.000 0.000 0.288 202 A C -0.924 176.410 177.584 -0.417 0.000 1.193 202 A CA -0.525 51.140 52.037 -0.620 0.000 0.713 202 A CB 1.114 19.647 19.000 -0.779 0.000 1.305 202 A HN 0.121 nan 8.150 nan 0.000 0.424 203 T N 1.114 115.501 114.554 -0.278 0.000 3.223 203 T HA 0.346 4.696 4.350 0.000 0.000 0.334 203 T C -0.934 173.594 174.700 -0.287 0.000 0.940 203 T CA -0.302 61.625 62.100 -0.287 0.000 1.272 203 T CB 0.427 69.146 68.868 -0.249 0.000 0.982 203 T HN 0.643 nan 8.240 nan 0.000 0.512 204 V N 3.531 123.292 119.914 -0.254 0.000 2.425 204 V HA 0.225 4.345 4.120 0.000 0.000 0.276 204 V C -0.139 175.760 176.094 -0.325 0.000 1.017 204 V CA 0.068 62.230 62.300 -0.231 0.000 1.062 204 V CB -0.748 30.920 31.823 -0.258 0.000 0.997 204 V HN 0.664 nan 8.190 nan 0.000 0.476 205 F N 5.294 125.168 119.950 -0.126 0.000 2.361 205 F HA 0.488 5.014 4.527 0.000 0.000 0.364 205 F C 0.113 175.887 175.800 -0.043 0.000 1.120 205 F CA -0.534 57.456 58.000 -0.015 0.000 1.102 205 F CB 0.689 39.719 39.000 0.049 0.000 1.183 205 F HN 0.382 nan 8.300 nan 0.000 0.476 206 Y N 3.550 124.028 120.300 0.297 0.000 2.316 206 Y HA 0.334 4.884 4.550 0.000 0.000 0.331 206 Y C -0.152 175.892 175.900 0.240 0.000 1.083 206 Y CA -0.784 57.433 58.100 0.194 0.000 1.206 206 Y CB 0.524 39.050 38.460 0.112 0.000 1.195 206 Y HN 0.510 nan 8.280 nan 0.000 0.497 207 Y N -1.233 119.235 120.300 0.280 0.000 2.509 207 Y HA 0.555 5.105 4.550 0.000 0.000 0.341 207 Y C 0.770 176.758 175.900 0.146 0.000 1.038 207 Y CA -0.898 57.313 58.100 0.185 0.000 1.089 207 Y CB 1.265 39.802 38.460 0.128 0.000 1.241 207 Y HN 0.528 nan 8.280 nan 0.000 0.468 208 S N 0.558 116.447 115.700 0.316 0.000 2.341 208 S HA 0.097 4.567 4.470 0.000 0.000 0.216 208 S C 0.683 175.412 174.600 0.214 0.000 1.034 208 S CA 0.949 59.264 58.200 0.191 0.000 0.964 208 S CB -0.708 62.573 63.200 0.135 0.000 0.882 208 S HN 0.975 nan 8.310 nan 0.000 0.469 209 T N -2.004 112.693 114.554 0.239 0.000 2.907 209 T HA 0.624 4.974 4.350 0.000 0.000 0.290 209 T C 0.835 175.626 174.700 0.151 0.000 1.066 209 T CA -0.873 61.330 62.100 0.172 0.000 1.012 209 T CB 1.093 70.011 68.868 0.083 0.000 1.184 209 T HN 0.073 nan 8.240 nan 0.000 0.522 210 L N 1.253 122.515 121.223 0.066 0.000 2.017 210 L HA 0.032 4.372 4.340 0.000 0.000 0.208 210 L C -0.237 176.584 176.870 -0.083 0.000 1.073 210 L CA 1.398 56.215 54.840 -0.037 0.000 0.745 210 L CB -0.997 41.045 42.059 -0.029 0.000 0.894 210 L HN 0.645 nan 8.230 nan 0.000 0.432 211 P HA -0.166 nan 4.420 nan 0.000 0.220 211 P C 1.210 178.480 177.300 -0.049 0.000 1.148 211 P CA 1.745 64.821 63.100 -0.040 0.000 0.803 211 P CB 0.034 31.725 31.700 -0.015 0.000 0.782 212 A N 0.456 123.262 122.820 -0.024 0.000 2.015 212 A HA -0.149 4.171 4.320 0.000 0.000 0.219 212 A C 2.498 180.034 177.584 -0.081 0.000 1.163 212 A CA 1.130 53.166 52.037 -0.002 0.000 0.646 212 A CB -1.129 17.926 19.000 0.091 0.000 0.806 212 A HN 0.086 nan 8.150 nan 0.000 0.448 213 R N -0.448 119.906 120.500 -0.242 0.000 2.093 213 R HA -0.032 4.308 4.340 0.000 0.000 0.224 213 R C 2.134 178.270 176.300 -0.272 0.000 1.101 213 R CA 1.422 57.240 56.100 -0.470 0.000 0.979 213 R CB -0.254 29.438 30.300 -1.013 0.000 0.877 213 R HN 0.448 nan 8.270 nan 0.000 0.441 214 S N 1.297 116.884 115.700 -0.188 0.000 2.359 214 S HA -0.165 4.305 4.470 0.000 0.000 0.224 214 S C 1.868 176.400 174.600 -0.112 0.000 1.035 214 S CA 1.317 59.440 58.200 -0.127 0.000 1.018 214 S CB -0.395 62.754 63.200 -0.087 0.000 0.876 214 S HN 0.339 nan 8.310 nan 0.000 0.448 215 R N 1.283 121.725 120.500 -0.097 0.000 2.127 215 R HA -0.046 4.294 4.340 0.000 0.000 0.238 215 R C 1.990 178.224 176.300 -0.110 0.000 1.134 215 R CA 1.143 57.195 56.100 -0.081 0.000 0.975 215 R CB -0.754 29.514 30.300 -0.054 0.000 0.865 215 R HN 0.425 nan 8.270 nan 0.000 0.447 216 L N 0.115 121.251 121.223 -0.145 0.000 2.022 216 L HA -0.167 4.173 4.340 0.000 0.000 0.204 216 L C 2.444 179.175 176.870 -0.231 0.000 1.076 216 L CA 0.565 55.276 54.840 -0.214 0.000 0.749 216 L CB -0.490 41.439 42.059 -0.217 0.000 0.903 216 L HN 0.140 nan 8.230 nan 0.000 0.439 217 L N 0.097 121.206 121.223 -0.189 0.000 2.021 217 L HA -0.283 4.057 4.340 0.000 0.000 0.215 217 L C 2.890 179.688 176.870 -0.121 0.000 1.074 217 L CA 2.319 57.071 54.840 -0.147 0.000 0.760 217 L CB -1.864 40.129 42.059 -0.110 0.000 0.889 217 L HN 0.305 nan 8.230 nan 0.000 0.433 218 A N 0.131 122.888 122.820 -0.105 0.000 1.892 218 A HA -0.296 4.024 4.320 0.000 0.000 0.218 218 A C 2.178 179.712 177.584 -0.085 0.000 1.188 218 A CA 2.216 54.205 52.037 -0.080 0.000 0.631 218 A CB -0.880 18.079 19.000 -0.069 0.000 0.822 218 A HN 0.630 nan 8.150 nan 0.000 0.447 219 N N 0.661 119.296 118.700 -0.109 0.000 2.244 219 N HA -0.091 4.649 4.740 0.000 0.000 0.183 219 N C 1.315 176.754 175.510 -0.118 0.000 1.016 219 N CA 1.491 54.477 53.050 -0.107 0.000 0.866 219 N CB -0.223 38.191 38.487 -0.121 0.000 0.980 219 N HN 0.651 nan 8.380 nan 0.000 0.430 220 L N -1.518 119.608 121.223 -0.162 0.000 3.034 220 L HA 0.573 4.913 4.340 0.000 0.000 0.245 220 L C 1.186 178.003 176.870 -0.088 0.000 1.295 220 L CA -0.257 54.497 54.840 -0.143 0.000 1.068 220 L CB 0.019 41.926 42.059 -0.253 0.000 1.426 220 L HN -0.092 nan 8.230 nan 0.000 0.531 221 A N 0.182 122.961 122.820 -0.068 0.000 2.167 221 A HA 0.259 4.579 4.320 0.000 0.000 0.214 221 A C 2.292 179.859 177.584 -0.028 0.000 1.151 221 A CA 1.158 53.169 52.037 -0.043 0.000 0.735 221 A CB -0.110 18.868 19.000 -0.038 0.000 0.802 221 A HN 0.689 nan 8.150 nan 0.000 0.467 222 A N 0.004 122.807 122.820 -0.028 0.000 2.021 222 A HA 0.397 4.717 4.320 0.000 0.000 0.216 222 A C 1.599 179.176 177.584 -0.013 0.000 1.163 222 A CA 0.731 52.757 52.037 -0.018 0.000 0.676 222 A CB -0.964 18.027 19.000 -0.016 0.000 0.818 222 A HN 0.729 nan 8.150 nan 0.000 0.453 223 G N 0.275 109.068 108.800 -0.011 0.000 2.353 223 G HA2 0.328 4.288 3.960 0.000 0.000 0.239 223 G HA3 0.328 4.288 3.960 0.000 0.000 0.239 223 G C -1.074 173.823 174.900 -0.004 0.000 1.295 223 G CA -0.433 44.666 45.100 -0.002 0.000 0.884 223 G HN 0.129 nan 8.290 nan 0.000 0.537 224 P HA -0.153 nan 4.420 nan 0.000 0.224 224 P C 0.790 178.089 177.300 -0.001 0.000 1.153 224 P CA 1.765 64.861 63.100 -0.006 0.000 0.947 224 P CB 0.158 31.853 31.700 -0.008 0.000 0.790 225 T N -3.239 111.313 114.554 -0.003 0.000 2.827 225 T HA 0.380 4.730 4.350 0.000 0.000 0.328 225 T C -1.652 173.035 174.700 -0.022 0.000 1.598 225 T CA -0.611 61.489 62.100 0.000 0.000 1.043 225 T CB 1.750 70.621 68.868 0.005 0.000 1.447 225 T HN -0.419 nan 8.240 nan 0.000 0.491 226 V N 2.888 122.786 119.914 -0.028 0.000 2.419 226 V HA 0.463 4.583 4.120 0.000 0.000 0.287 226 V C -0.305 175.753 176.094 -0.061 0.000 1.017 226 V CA -0.828 61.451 62.300 -0.035 0.000 0.844 226 V CB 1.014 32.828 31.823 -0.016 0.000 1.011 226 V HN 0.668 nan 8.190 nan 0.000 0.429 227 L N 3.608 124.759 121.223 -0.119 0.000 2.395 227 L HA 0.701 5.041 4.340 0.000 0.000 0.269 227 L C 0.168 177.029 176.870 -0.015 0.000 1.133 227 L CA -0.019 54.737 54.840 -0.139 0.000 0.812 227 L CB 1.052 42.830 42.059 -0.468 0.000 1.125 227 L HN 0.742 nan 8.230 nan 0.000 0.452 228 E N 0.819 121.050 120.200 0.051 0.000 2.335 228 E HA 0.231 4.581 4.350 0.000 0.000 0.280 228 E C -1.351 175.215 176.600 -0.058 0.000 0.918 228 E CA -0.820 55.585 56.400 0.008 0.000 0.765 228 E CB 1.304 31.087 29.700 0.138 0.000 1.218 228 E HN 0.532 nan 8.360 nan 0.000 0.425 229 H N 5.324 124.331 119.070 -0.104 0.000 2.934 229 H HA 0.119 4.675 4.556 0.000 0.000 0.273 229 H C 0.347 175.858 175.328 0.305 0.000 1.121 229 H CA -0.123 55.890 56.048 -0.059 0.000 1.451 229 H CB 0.288 29.972 29.762 -0.130 0.000 1.469 229 H HN 0.525 nan 8.280 nan 0.000 0.476 230 F N 0.298 120.364 119.950 0.193 0.000 2.293 230 F HA -0.085 4.442 4.527 0.000 0.000 0.297 230 F C 1.473 177.575 175.800 0.503 0.000 1.089 230 F CA 0.491 58.706 58.000 0.358 0.000 1.377 230 F CB 0.063 39.105 39.000 0.070 0.000 1.051 230 F HN 0.396 nan 8.300 nan 0.000 0.511 231 D N 0.752 121.495 120.400 0.572 0.000 2.325 231 D HA 0.017 4.657 4.640 0.000 0.000 0.251 231 D C -0.089 176.295 176.300 0.139 0.000 1.196 231 D CA 0.165 54.351 54.000 0.311 0.000 0.866 231 D CB 0.629 41.553 40.800 0.207 0.000 1.101 231 D HN -0.017 nan 8.370 nan 0.000 0.476 232 S N 4.370 120.120 115.700 0.084 0.000 3.298 232 S HA -0.145 4.325 4.470 0.000 0.000 0.273 232 S C -2.064 172.546 174.600 0.015 0.000 0.804 232 S CA -0.351 57.861 58.200 0.021 0.000 1.369 232 S CB -1.113 62.070 63.200 -0.028 0.000 0.993 232 S HN 0.542 nan 8.310 nan 0.000 0.449 233 P HA -0.015 nan 4.420 nan 0.000 0.270 233 P C 1.238 178.527 177.300 -0.018 0.000 1.216 233 P CA -0.102 63.089 63.100 0.151 0.000 0.788 233 P CB 0.414 32.262 31.700 0.247 0.000 0.883 234 T N 0.340 114.838 114.554 -0.093 0.000 2.588 234 T HA -0.160 4.190 4.350 0.000 0.000 0.261 234 T C 1.419 175.821 174.700 -0.497 0.000 1.069 234 T CA 1.779 63.647 62.100 -0.387 0.000 1.172 234 T CB -0.915 67.545 68.868 -0.680 0.000 0.863 234 T HN 0.508 nan 8.240 nan 0.000 0.408 235 Y N 1.149 121.307 120.300 -0.238 0.000 2.507 235 Y HA 0.480 5.030 4.550 0.000 0.000 0.254 235 Y C 1.233 176.969 175.900 -0.272 0.000 1.171 235 Y CA -0.627 57.244 58.100 -0.381 0.000 1.238 235 Y CB 0.815 39.127 38.460 -0.246 0.000 1.148 235 Y HN 0.477 nan 8.280 nan 0.000 0.525 236 G N 0.358 109.154 108.800 -0.006 0.000 2.326 236 G HA2 -0.025 3.935 3.960 0.000 0.000 0.413 236 G HA3 -0.025 3.935 3.960 0.000 0.000 0.413 236 G C -3.302 171.642 174.900 0.073 0.000 1.444 236 G CA -1.533 43.562 45.100 -0.008 0.000 1.002 236 G HN -0.270 nan 8.290 nan 0.000 0.649 237 P HA 0.126 nan 4.420 nan 0.000 0.257 237 P C 0.178 177.311 177.300 -0.278 0.000 1.189 237 P CA 0.373 63.297 63.100 -0.292 0.000 0.780 237 P CB -0.087 31.120 31.700 -0.823 0.000 0.772 238 H N 3.004 122.010 119.070 -0.107 0.000 2.669 238 H HA 0.576 5.132 4.556 0.000 0.000 0.318 238 H C -0.582 174.782 175.328 0.060 0.000 1.429 238 H CA -1.169 54.740 56.048 -0.231 0.000 1.460 238 H CB 0.997 30.470 29.762 -0.481 0.000 1.784 238 H HN 0.257 nan 8.280 nan 0.000 0.750 239 L N 1.854 123.127 121.223 0.085 0.000 2.481 239 L HA 0.118 4.458 4.340 0.000 0.000 0.263 239 L C -0.805 176.160 176.870 0.157 0.000 1.537 239 L CA -0.639 54.291 54.840 0.149 0.000 0.741 239 L CB 0.649 42.868 42.059 0.266 0.000 0.974 239 L HN 0.356 nan 8.230 nan 0.000 0.519 240 L N 1.995 123.285 121.223 0.110 0.000 2.653 240 L HA -0.025 4.315 4.340 0.000 0.000 0.288 240 L C -0.334 176.536 176.870 0.000 0.000 1.243 240 L CA 1.328 56.193 54.840 0.042 0.000 0.906 240 L CB 0.435 42.478 42.059 -0.026 0.000 1.154 240 L HN 0.431 nan 8.230 nan 0.000 0.498 241 L N 7.842 129.069 121.223 0.006 0.000 2.388 241 L HA 0.566 4.906 4.340 0.000 0.000 0.267 241 L C -2.463 174.378 176.870 -0.048 0.000 0.995 241 L CA -1.703 53.149 54.840 0.020 0.000 0.864 241 L CB 1.688 43.842 42.059 0.159 0.000 1.216 241 L HN 0.476 nan 8.230 nan 0.000 0.430 242 P HA 0.065 nan 4.420 nan 0.000 0.271 242 P C -0.961 176.323 177.300 -0.027 0.000 1.216 242 P CA -0.196 62.872 63.100 -0.053 0.000 0.771 242 P CB 0.657 32.327 31.700 -0.050 0.000 0.864 243 Q N 2.618 122.406 119.800 -0.020 0.000 2.535 243 Q HA 0.012 4.352 4.340 0.000 0.000 0.228 243 Q C 0.738 176.741 176.000 0.005 0.000 1.062 243 Q CA 0.747 56.546 55.803 -0.006 0.000 0.967 243 Q CB -0.064 28.673 28.738 -0.002 0.000 1.273 243 Q HN 0.577 nan 8.270 nan 0.000 0.554 244 T N -1.270 113.287 114.554 0.006 0.000 2.821 244 T HA 0.051 4.401 4.350 0.000 0.000 0.267 244 T C 1.194 175.900 174.700 0.010 0.000 1.046 244 T CA 0.597 62.700 62.100 0.005 0.000 1.139 244 T CB -0.893 67.977 68.868 0.004 0.000 0.871 244 T HN 0.742 nan 8.240 nan 0.000 0.454 245 G N 2.539 111.349 108.800 0.017 0.000 2.720 245 G HA2 0.362 4.322 3.960 0.000 0.000 0.237 245 G HA3 0.362 4.322 3.960 0.000 0.000 0.237 245 G C -0.661 174.256 174.900 0.028 0.000 1.239 245 G CA -0.054 45.060 45.100 0.023 0.000 0.847 245 G HN 0.704 nan 8.290 nan 0.000 0.593 246 D N -0.745 119.675 120.400 0.034 0.000 2.646 246 D HA 0.385 5.025 4.640 0.000 0.000 0.245 246 D C 0.036 176.378 176.300 0.070 0.000 1.099 246 D CA -0.804 53.223 54.000 0.044 0.000 0.849 246 D CB 1.380 42.200 40.800 0.033 0.000 1.448 246 D HN 0.253 nan 8.370 nan 0.000 0.489 247 V N 0.961 120.937 119.914 0.104 0.000 2.924 247 V HA 0.185 4.305 4.120 0.000 0.000 0.305 247 V C 0.551 176.744 176.094 0.165 0.000 1.073 247 V CA -0.483 61.918 62.300 0.169 0.000 1.098 247 V CB 0.542 32.533 31.823 0.280 0.000 1.000 247 V HN 0.432 nan 8.190 nan 0.000 0.484 248 L N 3.278 124.575 121.223 0.123 0.000 2.307 248 L HA 0.786 5.126 4.340 0.000 0.000 0.284 248 L C 1.038 177.871 176.870 -0.062 0.000 1.023 248 L CA 0.493 55.355 54.840 0.037 0.000 0.810 248 L CB 1.185 43.247 42.059 0.005 0.000 1.231 248 L HN 0.929 nan 8.230 nan 0.000 0.423 249 G N 1.051 109.778 108.800 -0.122 0.000 2.796 249 G HA2 -0.273 3.687 3.960 0.000 0.000 0.198 249 G HA3 -0.273 3.687 3.960 0.000 0.000 0.198 249 G C 0.546 175.220 174.900 -0.377 0.000 1.062 249 G CA -0.135 44.771 45.100 -0.323 0.000 0.752 249 G HN 0.511 nan 8.290 nan 0.000 0.487 250 Y N 1.533 121.829 120.300 -0.007 0.000 2.314 250 Y HA 0.507 5.057 4.550 0.000 0.000 0.293 250 Y C 1.841 177.749 175.900 0.014 0.000 1.129 250 Y CA 1.563 59.669 58.100 0.011 0.000 1.201 250 Y CB 0.099 38.584 38.460 0.041 0.000 0.999 250 Y HN 0.356 nan 8.280 nan 0.000 0.541 251 S N -1.613 114.164 115.700 0.127 0.000 2.549 251 S HA 0.341 4.811 4.470 0.000 0.000 0.280 251 S C 0.761 175.375 174.600 0.023 0.000 1.109 251 S CA -0.547 57.693 58.200 0.068 0.000 0.905 251 S CB 1.483 64.728 63.200 0.075 0.000 1.081 251 S HN 0.092 nan 8.310 nan 0.000 0.477 252 S N 1.838 117.538 115.700 0.000 0.000 2.383 252 S HA -0.029 4.441 4.470 0.000 0.000 0.229 252 S C 0.664 175.259 174.600 -0.007 0.000 1.030 252 S CA 0.926 59.117 58.200 -0.014 0.000 1.002 252 S CB -0.157 63.029 63.200 -0.023 0.000 0.829 252 S HN 0.678 nan 8.310 nan 0.000 0.467 253 S N 2.320 118.020 115.700 -0.000 0.000 2.416 253 S HA 0.348 4.818 4.470 0.000 0.000 0.287 253 S C 0.019 174.629 174.600 0.017 0.000 1.139 253 S CA -0.428 57.772 58.200 -0.000 0.000 1.058 253 S CB 0.345 63.540 63.200 -0.008 0.000 0.967 253 S HN 0.292 nan 8.310 nan 0.000 0.495 254 L N 4.286 125.519 121.223 0.017 0.000 2.737 254 L HA 0.008 4.348 4.340 0.000 0.000 0.275 254 L C 0.124 177.017 176.870 0.039 0.000 1.179 254 L CA 0.395 55.255 54.840 0.035 0.000 0.970 254 L CB -0.592 41.482 42.059 0.025 0.000 1.268 254 L HN 0.564 nan 8.230 nan 0.000 0.485 255 I N 3.269 123.879 120.570 0.067 0.000 2.416 255 I HA 0.040 4.210 4.170 0.000 0.000 0.288 255 I C 0.889 177.029 176.117 0.038 0.000 1.051 255 I CA -0.190 61.141 61.300 0.051 0.000 1.375 255 I CB 1.103 39.147 38.000 0.072 0.000 1.407 255 I HN 0.674 nan 8.210 nan 0.000 0.516 256 S N 5.450 121.159 115.700 0.015 0.000 2.552 256 S HA -0.017 4.453 4.470 0.000 0.000 0.289 256 S C 0.940 175.541 174.600 0.002 0.000 1.304 256 S CA -0.617 57.587 58.200 0.008 0.000 1.063 256 S CB 1.304 64.501 63.200 -0.005 0.000 0.848 256 S HN 0.601 nan 8.310 nan 0.000 0.499 257 Q N 2.188 121.994 119.800 0.011 0.000 2.217 257 Q HA -0.199 4.141 4.340 0.000 0.000 0.209 257 Q C 2.329 178.317 176.000 -0.020 0.000 0.988 257 Q CA 2.036 57.845 55.803 0.010 0.000 0.878 257 Q CB -1.066 27.697 28.738 0.042 0.000 0.909 257 Q HN 0.986 nan 8.270 nan 0.000 0.424 258 A N 0.079 122.883 122.820 -0.027 0.000 1.877 258 A HA -0.066 4.254 4.320 0.000 0.000 0.216 258 A C 2.224 179.765 177.584 -0.072 0.000 1.186 258 A CA 1.988 53.991 52.037 -0.056 0.000 0.620 258 A CB -0.688 18.290 19.000 -0.037 0.000 0.822 258 A HN 0.398 nan 8.150 nan 0.000 0.443 259 A N -0.958 121.836 122.820 -0.044 0.000 2.016 259 A HA 0.140 4.460 4.320 0.000 0.000 0.217 259 A C 2.058 179.609 177.584 -0.055 0.000 1.162 259 A CA 1.397 53.413 52.037 -0.036 0.000 0.662 259 A CB -0.480 18.512 19.000 -0.013 0.000 0.812 259 A HN 0.616 nan 8.150 nan 0.000 0.450 260 L N -0.050 121.130 121.223 -0.071 0.000 2.046 260 L HA -0.079 4.261 4.340 0.000 0.000 0.208 260 L C 2.163 178.931 176.870 -0.170 0.000 1.077 260 L CA 1.594 56.362 54.840 -0.121 0.000 0.747 260 L CB -0.485 41.488 42.059 -0.143 0.000 0.896 260 L HN 0.391 nan 8.230 nan 0.000 0.432 261 L N -1.508 119.617 121.223 -0.164 0.000 2.079 261 L HA -0.253 4.087 4.340 0.000 0.000 0.210 261 L C 2.607 179.379 176.870 -0.163 0.000 1.081 261 L CA 1.238 55.952 54.840 -0.211 0.000 0.752 261 L CB -0.565 41.329 42.059 -0.275 0.000 0.896 261 L HN 0.370 nan 8.230 nan 0.000 0.433 262 M N -0.708 118.819 119.600 -0.120 0.000 2.059 262 M HA -0.180 4.300 4.480 0.000 0.000 0.259 262 M C 2.442 178.728 176.300 -0.024 0.000 1.072 262 M CA 1.613 56.895 55.300 -0.031 0.000 1.117 262 M CB -0.599 31.986 32.600 -0.025 0.000 1.320 262 M HN 0.108 nan 8.290 nan 0.000 0.408 263 V N 1.411 121.298 119.914 -0.046 0.000 2.252 263 V HA -0.312 3.808 4.120 0.000 0.000 0.249 263 V C 2.271 178.243 176.094 -0.203 0.000 1.056 263 V CA 2.549 64.819 62.300 -0.051 0.000 1.022 263 V CB -1.399 30.422 31.823 -0.004 0.000 0.641 263 V HN 0.591 nan 8.190 nan 0.000 0.445 264 E N 1.824 121.823 120.200 -0.334 0.000 2.171 264 E HA -0.242 4.108 4.350 0.000 0.000 0.197 264 E C 2.051 178.449 176.600 -0.336 0.000 0.997 264 E CA 2.061 58.084 56.400 -0.629 0.000 0.810 264 E CB -0.545 28.301 29.700 -1.424 0.000 0.738 264 E HN 0.706 nan 8.360 nan 0.000 0.467 265 S N 0.012 115.634 115.700 -0.129 0.000 2.387 265 S HA 0.007 4.477 4.470 0.000 0.000 0.221 265 S C 2.171 176.770 174.600 -0.001 0.000 1.041 265 S CA 0.522 58.730 58.200 0.014 0.000 0.959 265 S CB -0.537 62.803 63.200 0.232 0.000 0.843 265 S HN 0.148 nan 8.310 nan 0.000 0.488 266 V N 2.002 121.921 119.914 0.008 0.000 2.453 266 V HA -0.107 4.013 4.120 0.000 0.000 0.252 266 V C 2.497 178.573 176.094 -0.030 0.000 1.068 266 V CA 2.218 64.543 62.300 0.040 0.000 1.070 266 V CB -0.641 31.247 31.823 0.108 0.000 0.664 266 V HN 0.638 nan 8.190 nan 0.000 0.461 267 M N -1.004 118.469 119.600 -0.212 0.000 2.682 267 M HA -0.058 4.422 4.480 0.000 0.000 0.235 267 M C 1.047 177.269 176.300 -0.130 0.000 1.114 267 M CA 0.890 55.969 55.300 -0.369 0.000 1.053 267 M CB -0.093 32.137 32.600 -0.617 0.000 1.599 267 M HN 0.331 nan 8.290 nan 0.000 0.520 268 D N -0.290 120.080 120.400 -0.051 0.000 2.840 268 D HA 0.186 4.826 4.640 0.000 0.000 0.277 268 D C 1.833 178.154 176.300 0.034 0.000 1.066 268 D CA 1.102 55.103 54.000 0.002 0.000 0.979 268 D CB -0.213 40.588 40.800 0.001 0.000 1.157 268 D HN 0.287 nan 8.370 nan 0.000 0.466 269 A N 1.054 123.900 122.820 0.043 0.000 2.042 269 A HA -0.161 4.159 4.320 0.000 0.000 0.222 269 A C 2.240 179.879 177.584 0.091 0.000 1.167 269 A CA 1.122 53.201 52.037 0.069 0.000 0.649 269 A CB -0.690 18.359 19.000 0.082 0.000 0.809 269 A HN 0.235 nan 8.150 nan 0.000 0.457 270 L N -1.563 119.718 121.223 0.098 0.000 2.084 270 L HA -0.059 4.281 4.340 0.000 0.000 0.202 270 L C 2.820 179.765 176.870 0.125 0.000 1.074 270 L CA 1.304 56.227 54.840 0.138 0.000 0.757 270 L CB -0.474 41.702 42.059 0.196 0.000 0.918 270 L HN 0.472 nan 8.230 nan 0.000 0.444 271 R N 0.362 120.920 120.500 0.096 0.000 2.148 271 R HA -0.158 4.182 4.340 0.000 0.000 0.227 271 R C 1.401 177.752 176.300 0.085 0.000 1.103 271 R CA 1.650 57.807 56.100 0.095 0.000 0.983 271 R CB -0.119 30.227 30.300 0.078 0.000 0.874 271 R HN 0.348 nan 8.270 nan 0.000 0.451 272 D N 0.426 120.871 120.400 0.074 0.000 2.137 272 D HA -0.083 4.557 4.640 0.000 0.000 0.202 272 D C 1.526 177.869 176.300 0.072 0.000 0.970 272 D CA 0.847 54.886 54.000 0.064 0.000 0.837 272 D CB -0.424 40.406 40.800 0.050 0.000 0.981 272 D HN 0.183 nan 8.370 nan 0.000 0.475 273 N N 1.052 119.804 118.700 0.087 0.000 2.104 273 N HA -0.127 4.613 4.740 0.000 0.000 0.190 273 N C 1.757 177.326 175.510 0.098 0.000 1.024 273 N CA 1.299 54.406 53.050 0.096 0.000 0.853 273 N CB -0.516 38.039 38.487 0.114 0.000 1.008 273 N HN 0.130 nan 8.380 nan 0.000 0.424 274 A N 1.913 124.800 122.820 0.111 0.000 1.896 274 A HA -0.232 4.088 4.320 0.000 0.000 0.220 274 A C 1.640 179.284 177.584 0.101 0.000 1.206 274 A CA 2.366 54.476 52.037 0.121 0.000 0.647 274 A CB -0.675 18.397 19.000 0.120 0.000 0.828 274 A HN 0.642 nan 8.150 nan 0.000 0.455 275 N N -0.876 117.872 118.700 0.081 0.000 2.187 275 N HA 0.345 5.085 4.740 0.000 0.000 0.212 275 N C 0.303 175.844 175.510 0.051 0.000 1.152 275 N CA 0.564 53.654 53.050 0.066 0.000 0.872 275 N CB -0.173 38.352 38.487 0.063 0.000 1.025 275 N HN 0.443 nan 8.380 nan 0.000 0.514 276 A N 1.335 124.184 122.820 0.050 0.000 2.511 276 A HA 0.421 4.741 4.320 0.000 0.000 0.242 276 A C 0.631 178.232 177.584 0.028 0.000 1.069 276 A CA -0.029 52.029 52.037 0.035 0.000 0.763 276 A CB 0.036 19.058 19.000 0.036 0.000 1.001 276 A HN 0.545 nan 8.150 nan 0.000 0.498 277 S N 1.153 116.863 115.700 0.017 0.000 2.677 277 S HA 0.714 5.184 4.470 0.000 0.000 0.304 277 S C 0.969 175.570 174.600 0.002 0.000 1.108 277 S CA -0.170 58.038 58.200 0.012 0.000 0.944 277 S CB 1.595 64.803 63.200 0.013 0.000 1.127 277 S HN 1.598 nan 8.310 nan 0.000 0.511 278 A N 1.749 124.569 122.820 -0.001 0.000 1.877 278 A HA -0.020 4.300 4.320 0.000 0.000 0.216 278 A C 2.358 179.935 177.584 -0.011 0.000 1.186 278 A CA 2.107 54.139 52.037 -0.008 0.000 0.620 278 A CB -1.711 17.285 19.000 -0.007 0.000 0.822 278 A HN 1.495 nan 8.150 nan 0.000 0.443 279 S N -0.833 114.863 115.700 -0.007 0.000 2.419 279 S HA -0.041 4.429 4.470 0.000 0.000 0.233 279 S C 0.949 175.542 174.600 -0.010 0.000 1.016 279 S CA 1.231 59.426 58.200 -0.008 0.000 0.974 279 S CB -0.874 62.324 63.200 -0.004 0.000 0.786 279 S HN 0.418 nan 8.310 nan 0.000 0.492 280 T N 2.413 116.962 114.554 -0.009 0.000 2.909 280 T HA 0.664 5.014 4.350 0.000 0.000 0.289 280 T C -0.223 174.465 174.700 -0.019 0.000 1.005 280 T CA -0.038 62.056 62.100 -0.011 0.000 1.084 280 T CB 1.429 70.295 68.868 -0.004 0.000 0.975 280 T HN 0.452 nan 8.240 nan 0.000 0.509 281 A N 2.731 125.538 122.820 -0.021 0.000 2.291 281 A HA 0.671 4.991 4.320 0.000 0.000 0.311 281 A C -0.264 177.304 177.584 -0.027 0.000 1.224 281 A CA -0.605 51.414 52.037 -0.031 0.000 0.821 281 A CB 0.529 19.510 19.000 -0.031 0.000 1.172 281 A HN 0.661 nan 8.150 nan 0.000 0.494 282 V N 2.106 122.000 119.914 -0.034 0.000 2.837 282 V HA 0.316 4.436 4.120 0.000 0.000 0.310 282 V C 1.947 178.021 176.094 -0.033 0.000 1.059 282 V CA 0.351 62.634 62.300 -0.028 0.000 1.004 282 V CB 1.566 33.372 31.823 -0.028 0.000 1.045 282 V HN 1.122 nan 8.190 nan 0.000 0.465 283 T N 1.688 116.229 114.554 -0.020 0.000 2.622 283 T HA -0.097 4.253 4.350 0.000 0.000 0.266 283 T C 0.747 175.420 174.700 -0.045 0.000 1.047 283 T CA 0.959 63.051 62.100 -0.013 0.000 1.159 283 T CB -0.109 68.758 68.868 -0.001 0.000 0.863 283 T HN 0.591 nan 8.240 nan 0.000 0.422 284 R N 0.511 120.973 120.500 -0.062 0.000 2.562 284 R HA 0.487 4.827 4.340 0.000 0.000 0.298 284 R C 0.459 176.711 176.300 -0.079 0.000 0.961 284 R CA -0.875 55.177 56.100 -0.080 0.000 0.881 284 R CB 1.423 31.665 30.300 -0.096 0.000 1.159 284 R HN 0.016 nan 8.270 nan 0.000 0.450 285 L N 2.002 123.147 121.223 -0.130 0.000 2.633 285 L HA -0.051 4.289 4.340 0.000 0.000 0.235 285 L C -0.368 176.525 176.870 0.039 0.000 1.163 285 L CA 1.630 56.377 54.840 -0.155 0.000 0.859 285 L CB -1.572 40.179 42.059 -0.514 0.000 0.973 285 L HN 0.840 nan 8.230 nan 0.000 0.451 286 D N -4.090 116.349 120.400 0.065 0.000 2.722 286 D HA 0.069 4.709 4.640 0.000 0.000 0.231 286 D C -0.100 176.216 176.300 0.027 0.000 1.218 286 D CA -0.474 53.593 54.000 0.111 0.000 0.753 286 D CB 0.550 41.489 40.800 0.232 0.000 1.471 286 D HN -0.275 nan 8.370 nan 0.000 0.455 287 Q N 0.229 120.033 119.800 0.007 0.000 2.247 287 Q HA 0.211 4.551 4.340 0.000 0.000 0.211 287 Q C 0.028 176.021 176.000 -0.012 0.000 0.861 287 Q CA 0.045 55.803 55.803 -0.075 0.000 0.949 287 Q CB 0.663 29.367 28.738 -0.055 0.000 1.115 287 Q HN 0.652 nan 8.270 nan 0.000 0.507 288 S N 0.112 115.848 115.700 0.060 0.000 2.549 288 S HA 0.234 4.704 4.470 0.000 0.000 0.283 288 S C 0.059 174.726 174.600 0.113 0.000 1.320 288 S CA -0.461 57.797 58.200 0.096 0.000 1.058 288 S CB 0.660 63.917 63.200 0.097 0.000 0.882 288 S HN 0.119 nan 8.310 nan 0.000 0.498 289 Y N 1.250 121.606 120.300 0.093 0.000 2.230 289 Y HA 0.317 4.867 4.550 0.000 0.000 0.354 289 Y C 1.221 177.064 175.900 -0.095 0.000 1.343 289 Y CA 0.317 58.381 58.100 -0.059 0.000 1.693 289 Y CB 0.655 39.019 38.460 -0.159 0.000 1.553 289 Y HN 0.768 nan 8.280 nan 0.000 0.599 290 H N 1.663 120.691 119.070 -0.070 0.000 3.128 290 H HA 0.212 4.768 4.556 0.000 0.000 0.336 290 H C -3.020 172.120 175.328 -0.314 0.000 1.026 290 H CA -1.942 53.918 56.048 -0.313 0.000 1.376 290 H CB 2.369 31.713 29.762 -0.696 0.000 1.882 290 H HN 0.291 nan 8.280 nan 0.000 0.479 291 P HA 0.056 nan 4.420 nan 0.000 0.276 291 P C 0.108 177.300 177.300 -0.180 0.000 1.235 291 P CA -0.168 62.706 63.100 -0.377 0.000 0.772 291 P CB 1.955 33.207 31.700 -0.746 0.000 0.871 292 V N 2.057 121.944 119.914 -0.045 0.000 3.548 292 V HA 0.182 4.302 4.120 0.000 0.000 0.279 292 V C 0.719 176.841 176.094 0.048 0.000 1.446 292 V CA 0.793 63.114 62.300 0.035 0.000 1.023 292 V CB 0.504 32.349 31.823 0.037 0.000 0.820 292 V HN 0.590 nan 8.190 nan 0.000 0.438 293 T N -0.884 113.697 114.554 0.046 0.000 2.889 293 T HA 0.378 4.728 4.350 0.000 0.000 0.315 293 T C 0.140 174.888 174.700 0.080 0.000 1.291 293 T CA 0.045 62.179 62.100 0.057 0.000 1.028 293 T CB 1.851 70.725 68.868 0.010 0.000 1.235 293 T HN 0.115 nan 8.240 nan 0.000 0.491 294 S N 0.601 116.342 115.700 0.069 0.000 3.581 294 S HA -0.181 4.289 4.470 0.000 0.000 0.354 294 S C -0.380 174.268 174.600 0.080 0.000 1.059 294 S CA 0.616 58.843 58.200 0.045 0.000 1.060 294 S CB -1.557 61.653 63.200 0.016 0.000 0.908 294 S HN 0.666 nan 8.310 nan 0.000 0.475 295 F N 1.820 121.730 119.950 -0.067 0.000 2.467 295 F HA 0.557 5.084 4.527 0.000 0.000 0.336 295 F C -0.259 175.456 175.800 -0.142 0.000 1.123 295 F CA -1.225 56.704 58.000 -0.120 0.000 0.964 295 F CB 1.178 40.092 39.000 -0.144 0.000 1.136 295 F HN -0.002 nan 8.300 nan 0.000 0.447 296 D N 8.525 128.379 120.400 -0.911 0.000 2.352 296 D HA 0.205 4.845 4.640 0.000 0.000 0.245 296 D C -1.688 173.900 176.300 -1.187 0.000 1.224 296 D CA -2.378 51.161 54.000 -0.768 0.000 0.879 296 D CB 1.590 42.058 40.800 -0.554 0.000 1.057 296 D HN 0.347 nan 8.370 nan 0.000 0.491 297 P HA -0.117 nan 4.420 nan 0.000 0.222 297 P C 1.074 178.138 177.300 -0.395 0.000 1.153 297 P CA 0.635 63.521 63.100 -0.357 0.000 0.798 297 P CB 0.369 32.154 31.700 0.141 0.000 0.796 298 S N 0.121 115.583 115.700 -0.396 0.000 2.317 298 S HA -0.032 4.438 4.470 0.000 0.000 0.212 298 S C 1.404 175.586 174.600 -0.698 0.000 1.030 298 S CA 1.006 58.970 58.200 -0.393 0.000 0.970 298 S CB -2.110 60.957 63.200 -0.222 0.000 0.928 298 S HN 0.311 nan 8.310 nan 0.000 0.451 299 T N -0.223 113.980 114.554 -0.586 0.000 2.680 299 T HA 0.350 4.700 4.350 0.000 0.000 0.314 299 T C -0.417 173.748 174.700 -0.892 0.000 1.045 299 T CA -0.230 61.545 62.100 -0.542 0.000 1.025 299 T CB -0.132 68.552 68.868 -0.306 0.000 1.000 299 T HN 0.268 nan 8.240 nan 0.000 0.535 300 F N 1.015 120.930 119.950 -0.059 0.000 2.566 300 F HA 0.389 4.916 4.527 0.000 0.000 0.352 300 F C 0.401 176.136 175.800 -0.109 0.000 1.534 300 F CA -1.065 56.920 58.000 -0.024 0.000 1.097 300 F CB -0.259 38.847 39.000 0.177 0.000 1.488 300 F HN 0.452 nan 8.300 nan 0.000 0.562 301 N N -0.718 117.953 118.700 -0.049 0.000 2.530 301 N HA 0.059 4.799 4.740 0.000 0.000 0.216 301 N C 0.339 175.787 175.510 -0.104 0.000 1.031 301 N CA 0.472 53.475 53.050 -0.078 0.000 1.063 301 N CB -0.581 37.855 38.487 -0.086 0.000 1.346 301 N HN -0.049 nan 8.380 nan 0.000 0.515 302 T N 3.235 117.721 114.554 -0.112 0.000 2.903 302 T HA -0.087 4.263 4.350 0.000 0.000 0.299 302 T C 1.471 176.123 174.700 -0.079 0.000 1.041 302 T CA 0.091 62.134 62.100 -0.095 0.000 1.138 302 T CB 0.280 69.082 68.868 -0.110 0.000 1.040 302 T HN 0.141 nan 8.240 nan 0.000 0.524 303 L N 3.856 125.043 121.223 -0.060 0.000 2.081 303 L HA -0.106 4.234 4.340 0.000 0.000 0.212 303 L C 2.036 178.902 176.870 -0.007 0.000 1.080 303 L CA 1.823 56.636 54.840 -0.045 0.000 0.754 303 L CB -1.127 40.923 42.059 -0.015 0.000 0.893 303 L HN 0.786 nan 8.230 nan 0.000 0.433 304 L N -0.078 121.148 121.223 0.005 0.000 1.970 304 L HA -0.326 4.014 4.340 0.000 0.000 0.212 304 L C 2.797 179.745 176.870 0.129 0.000 1.071 304 L CA 1.758 56.630 54.840 0.054 0.000 0.751 304 L CB -0.221 41.872 42.059 0.057 0.000 0.889 304 L HN 0.388 nan 8.230 nan 0.000 0.432 305 Q N -0.588 119.259 119.800 0.078 0.000 2.077 305 Q HA -0.296 4.044 4.340 0.000 0.000 0.206 305 Q C 2.281 178.434 176.000 0.255 0.000 0.989 305 Q CA 2.122 57.984 55.803 0.097 0.000 0.853 305 Q CB -0.261 28.348 28.738 -0.214 0.000 0.907 305 Q HN 0.477 nan 8.270 nan 0.000 0.418 306 R N 0.170 120.763 120.500 0.154 0.000 2.081 306 R HA -0.120 4.220 4.340 0.000 0.000 0.235 306 R C 2.321 178.774 176.300 0.256 0.000 1.131 306 R CA 1.264 57.451 56.100 0.144 0.000 0.960 306 R CB -0.370 29.689 30.300 -0.402 0.000 0.856 306 R HN 0.275 nan 8.270 nan 0.000 0.436 307 A N 0.054 122.969 122.820 0.159 0.000 1.855 307 A HA -0.143 4.177 4.320 0.000 0.000 0.215 307 A C 2.154 179.836 177.584 0.164 0.000 1.191 307 A CA 1.923 54.066 52.037 0.176 0.000 0.613 307 A CB -0.939 18.136 19.000 0.125 0.000 0.829 307 A HN 0.285 nan 8.150 nan 0.000 0.442 308 T N 0.787 115.412 114.554 0.119 0.000 2.607 308 T HA -0.236 4.114 4.350 0.000 0.000 0.267 308 T C 2.014 176.771 174.700 0.096 0.000 1.049 308 T CA 1.578 63.680 62.100 0.003 0.000 1.162 308 T CB -0.575 68.215 68.868 -0.131 0.000 0.863 308 T HN 0.647 nan 8.240 nan 0.000 0.424 309 N N 1.196 120.040 118.700 0.240 0.000 2.184 309 N HA -0.138 4.602 4.740 0.000 0.000 0.190 309 N C 1.818 177.452 175.510 0.207 0.000 1.011 309 N CA 1.041 54.263 53.050 0.287 0.000 0.867 309 N CB -0.355 38.406 38.487 0.456 0.000 0.993 309 N HN 0.304 nan 8.380 nan 0.000 0.433 310 L N 0.425 121.787 121.223 0.232 0.000 2.341 310 L HA 0.124 4.464 4.340 0.000 0.000 0.214 310 L C 2.018 178.993 176.870 0.175 0.000 1.115 310 L CA 1.085 56.053 54.840 0.212 0.000 0.820 310 L CB -1.048 41.174 42.059 0.271 0.000 0.944 310 L HN 0.122 nan 8.230 nan 0.000 0.452 311 A N -0.044 122.859 122.820 0.138 0.000 2.016 311 A HA -0.031 4.289 4.320 0.000 0.000 0.217 311 A C 2.087 179.715 177.584 0.072 0.000 1.162 311 A CA 0.561 52.658 52.037 0.101 0.000 0.662 311 A CB -0.346 18.693 19.000 0.066 0.000 0.812 311 A HN 0.477 nan 8.150 nan 0.000 0.450 312 L N -0.574 120.698 121.223 0.082 0.000 2.362 312 L HA -0.070 4.270 4.340 0.000 0.000 0.219 312 L C 2.255 179.116 176.870 -0.015 0.000 1.134 312 L CA 0.411 55.284 54.840 0.054 0.000 0.807 312 L CB -0.402 41.739 42.059 0.136 0.000 0.927 312 L HN 0.357 nan 8.230 nan 0.000 0.447 313 L N -0.172 121.095 121.223 0.072 0.000 2.316 313 L HA 0.161 4.501 4.340 0.000 0.000 0.207 313 L C 2.506 179.386 176.870 0.016 0.000 1.070 313 L CA 1.126 56.017 54.840 0.086 0.000 0.820 313 L CB -0.436 41.763 42.059 0.234 0.000 0.992 313 L HN 0.163 nan 8.230 nan 0.000 0.466 314 A N -0.724 122.133 122.820 0.062 0.000 2.216 314 A HA -0.100 4.220 4.320 0.000 0.000 0.214 314 A C 2.047 179.655 177.584 0.041 0.000 1.160 314 A CA 1.223 53.306 52.037 0.076 0.000 0.725 314 A CB -0.554 18.518 19.000 0.120 0.000 0.784 314 A HN 0.260 nan 8.150 nan 0.000 0.472 315 V N -0.759 119.134 119.914 -0.034 0.000 3.608 315 V HA -0.025 4.095 4.120 0.000 0.000 0.269 315 V C 1.603 177.607 176.094 -0.151 0.000 1.245 315 V CA 1.157 63.403 62.300 -0.090 0.000 1.138 315 V CB -0.347 31.365 31.823 -0.185 0.000 0.841 315 V HN 0.590 nan 8.190 nan 0.000 0.451 316 Q N 0.501 120.236 119.800 -0.108 0.000 2.398 316 Q HA 0.285 4.625 4.340 0.000 0.000 0.204 316 Q C 1.754 177.830 176.000 0.127 0.000 0.932 316 Q CA 0.952 56.747 55.803 -0.015 0.000 0.916 316 Q CB 0.510 29.227 28.738 -0.035 0.000 1.024 316 Q HN 0.823 nan 8.270 nan 0.000 0.504 317 G N 0.876 109.738 108.800 0.104 0.000 2.192 317 G HA2 -0.232 3.728 3.960 0.000 0.000 0.193 317 G HA3 -0.232 3.728 3.960 0.000 0.000 0.193 317 G C 0.191 175.162 174.900 0.118 0.000 0.999 317 G CA 0.079 45.258 45.100 0.130 0.000 0.659 317 G HN 0.348 nan 8.290 nan 0.000 0.503 318 V N 0.596 120.559 119.914 0.082 0.000 2.763 318 V HA 0.611 4.731 4.120 0.000 0.000 0.306 318 V C 0.091 176.285 176.094 0.165 0.000 1.059 318 V CA 0.580 62.946 62.300 0.109 0.000 1.138 318 V CB 1.066 32.901 31.823 0.020 0.000 0.940 318 V HN 0.544 nan 8.190 nan 0.000 0.489 319 Q N 4.296 124.224 119.800 0.214 0.000 2.365 319 Q HA 0.515 4.855 4.340 0.000 0.000 0.269 319 Q C -0.528 175.604 176.000 0.220 0.000 1.061 319 Q CA -0.547 55.383 55.803 0.212 0.000 0.816 319 Q CB 1.852 30.722 28.738 0.221 0.000 1.325 319 Q HN 0.849 nan 8.270 nan 0.000 0.446 320 S N 0.703 116.530 115.700 0.212 0.000 2.549 320 S HA -0.023 4.447 4.470 0.000 0.000 0.279 320 S C 1.054 175.739 174.600 0.142 0.000 1.321 320 S CA -0.070 58.250 58.200 0.200 0.000 1.054 320 S CB 0.571 63.927 63.200 0.260 0.000 0.899 320 S HN 0.770 nan 8.310 nan 0.000 0.497 321 E N 3.426 123.686 120.200 0.100 0.000 2.085 321 E HA -0.097 4.253 4.350 0.000 0.000 0.194 321 E C 0.708 177.303 176.600 -0.007 0.000 0.994 321 E CA 1.098 57.506 56.400 0.014 0.000 0.801 321 E CB -0.267 29.436 29.700 0.006 0.000 0.743 321 E HN 0.426 nan 8.360 nan 0.000 0.453 322 S N 0.687 116.431 115.700 0.073 0.000 2.430 322 S HA 0.402 4.872 4.470 0.000 0.000 0.282 322 S C 0.026 174.718 174.600 0.153 0.000 1.186 322 S CA -0.240 58.027 58.200 0.111 0.000 1.060 322 S CB 0.299 63.679 63.200 0.300 0.000 0.966 322 S HN 0.475 nan 8.310 nan 0.000 0.501 323 A N 6.339 129.206 122.820 0.079 0.000 2.561 323 A HA 0.234 4.554 4.320 0.000 0.000 0.251 323 A C 0.349 178.051 177.584 0.197 0.000 1.062 323 A CA 0.131 52.239 52.037 0.119 0.000 0.761 323 A CB -0.443 18.601 19.000 0.072 0.000 0.986 323 A HN 0.900 nan 8.150 nan 0.000 0.510 324 I N 5.922 126.600 120.570 0.180 0.000 2.337 324 I HA 0.188 4.358 4.170 0.000 0.000 0.291 324 I C -1.521 174.681 176.117 0.141 0.000 1.046 324 I CA -1.749 59.658 61.300 0.179 0.000 1.324 324 I CB 0.955 39.047 38.000 0.152 0.000 1.409 324 I HN 0.559 nan 8.210 nan 0.000 0.494 325 P HA -0.060 nan 4.420 nan 0.000 0.266 325 P C 0.477 177.841 177.300 0.107 0.000 1.193 325 P CA -0.017 63.155 63.100 0.120 0.000 0.770 325 P CB 1.001 32.769 31.700 0.113 0.000 0.836 326 A N 3.799 126.679 122.820 0.100 0.000 1.902 326 A HA -0.092 4.228 4.320 0.000 0.000 0.217 326 A C 1.495 179.145 177.584 0.111 0.000 1.181 326 A CA 1.159 53.255 52.037 0.099 0.000 0.623 326 A CB -0.701 18.353 19.000 0.090 0.000 0.818 326 A HN 0.597 nan 8.150 nan 0.000 0.443 327 I N 0.931 121.566 120.570 0.108 0.000 2.479 327 I HA 0.198 4.368 4.170 0.000 0.000 0.279 327 I C -2.588 173.589 176.117 0.099 0.000 1.102 327 I CA -2.090 59.281 61.300 0.117 0.000 1.196 327 I CB 1.147 39.212 38.000 0.109 0.000 1.427 327 I HN 0.014 nan 8.210 nan 0.000 0.503 328 P HA -0.084 nan 4.420 nan 0.000 0.261 328 P C -0.048 177.263 177.300 0.019 0.000 1.165 328 P CA 0.645 63.800 63.100 0.091 0.000 0.759 328 P CB 0.485 32.280 31.700 0.159 0.000 0.772 329 T N 2.759 117.324 114.554 0.018 0.000 2.918 329 T HA 0.309 4.659 4.350 0.000 0.000 0.286 329 T C 1.516 176.203 174.700 -0.020 0.000 1.026 329 T CA -0.728 61.360 62.100 -0.021 0.000 1.031 329 T CB 0.509 69.373 68.868 -0.006 0.000 1.046 329 T HN 0.216 nan 8.240 nan 0.000 0.479 330 M N 2.098 121.658 119.600 -0.066 0.000 2.116 330 M HA -0.150 4.330 4.480 0.000 0.000 0.255 330 M C 2.574 178.849 176.300 -0.042 0.000 1.075 330 M CA 2.007 57.257 55.300 -0.083 0.000 1.087 330 M CB -0.747 31.716 32.600 -0.228 0.000 1.340 330 M HN 0.729 nan 8.290 nan 0.000 0.402 331 S N 0.428 116.101 115.700 -0.046 0.000 2.359 331 S HA -0.226 4.244 4.470 0.000 0.000 0.224 331 S C 1.459 176.075 174.600 0.026 0.000 1.035 331 S CA 2.270 60.455 58.200 -0.026 0.000 1.018 331 S CB -0.355 62.825 63.200 -0.035 0.000 0.876 331 S HN 0.618 nan 8.310 nan 0.000 0.448 332 D N 0.384 120.813 120.400 0.048 0.000 2.084 332 D HA -0.082 4.558 4.640 0.000 0.000 0.196 332 D C 1.940 178.341 176.300 0.168 0.000 0.985 332 D CA 1.664 55.723 54.000 0.099 0.000 0.826 332 D CB -0.635 40.224 40.800 0.098 0.000 0.978 332 D HN 0.287 nan 8.370 nan 0.000 0.456 333 V N 0.591 120.608 119.914 0.172 0.000 2.324 333 V HA -0.266 3.854 4.120 0.000 0.000 0.250 333 V C 2.774 179.050 176.094 0.303 0.000 1.060 333 V CA 2.240 64.689 62.300 0.248 0.000 1.042 333 V CB -0.773 31.239 31.823 0.314 0.000 0.650 333 V HN 0.301 nan 8.190 nan 0.000 0.450 334 R N 0.604 121.251 120.500 0.245 0.000 2.120 334 R HA -0.156 4.184 4.340 0.000 0.000 0.234 334 R C 2.382 178.777 176.300 0.158 0.000 1.123 334 R CA 1.733 57.946 56.100 0.189 0.000 0.975 334 R CB -0.307 30.039 30.300 0.076 0.000 0.866 334 R HN 0.659 nan 8.270 nan 0.000 0.446 335 S N -0.940 114.851 115.700 0.152 0.000 2.561 335 S HA -0.078 4.392 4.470 0.000 0.000 0.225 335 S C 1.405 176.115 174.600 0.183 0.000 0.977 335 S CA 0.237 58.513 58.200 0.127 0.000 0.926 335 S CB -0.158 63.096 63.200 0.091 0.000 0.769 335 S HN 0.461 nan 8.310 nan 0.000 0.533 336 F N 0.843 120.850 119.950 0.095 0.000 2.453 336 F HA 0.403 4.930 4.527 0.000 0.000 0.284 336 F C 2.008 177.861 175.800 0.089 0.000 1.065 336 F CA 0.169 58.232 58.000 0.105 0.000 1.411 336 F CB -0.216 38.857 39.000 0.121 0.000 1.131 336 F HN 0.092 nan 8.300 nan 0.000 0.582 337 V N 0.511 120.656 119.914 0.385 0.000 3.078 337 V HA -0.138 3.982 4.120 0.000 0.000 0.265 337 V C 2.200 178.351 176.094 0.095 0.000 1.122 337 V CA 1.524 63.971 62.300 0.247 0.000 1.141 337 V CB -0.727 31.236 31.823 0.233 0.000 0.735 337 V HN 0.467 nan 8.190 nan 0.000 0.498 338 A N -0.619 122.244 122.820 0.072 0.000 1.887 338 A HA -0.057 4.263 4.320 0.000 0.000 0.212 338 A C 2.312 179.878 177.584 -0.030 0.000 1.198 338 A CA 0.950 52.997 52.037 0.016 0.000 0.628 338 A CB -0.434 18.580 19.000 0.023 0.000 0.847 338 A HN 0.426 nan 8.150 nan 0.000 0.449 339 R N -0.650 119.816 120.500 -0.056 0.000 2.152 339 R HA 0.022 4.362 4.340 0.000 0.000 0.232 339 R C 1.935 178.160 176.300 -0.124 0.000 1.117 339 R CA 0.955 56.996 56.100 -0.097 0.000 0.981 339 R CB -0.295 29.907 30.300 -0.163 0.000 0.870 339 R HN 0.518 nan 8.270 nan 0.000 0.451 340 L N -0.191 120.936 121.223 -0.160 0.000 2.109 340 L HA -0.136 4.204 4.340 0.000 0.000 0.207 340 L C 2.159 178.915 176.870 -0.190 0.000 1.086 340 L CA 0.844 55.601 54.840 -0.138 0.000 0.760 340 L CB -0.054 41.962 42.059 -0.072 0.000 0.910 340 L HN 0.254 nan 8.230 nan 0.000 0.437 341 M N -0.193 119.324 119.600 -0.138 0.000 2.254 341 M HA 0.004 4.484 4.480 0.000 0.000 0.265 341 M C 1.278 177.496 176.300 -0.137 0.000 1.066 341 M CA 0.521 55.728 55.300 -0.156 0.000 1.123 341 M CB -1.167 31.380 32.600 -0.089 0.000 1.388 341 M HN 0.135 nan 8.290 nan 0.000 0.425 342 A N 2.116 124.886 122.820 -0.083 0.000 2.580 342 A HA -0.035 4.285 4.320 0.000 0.000 0.244 342 A C 0.121 177.698 177.584 -0.012 0.000 1.045 342 A CA 0.102 52.112 52.037 -0.046 0.000 0.761 342 A CB -0.550 18.435 19.000 -0.024 0.000 0.962 342 A HN 0.478 nan 8.150 nan 0.000 0.512 343 E N 0.987 121.184 120.200 -0.006 0.000 2.608 343 E HA 0.262 4.612 4.350 0.000 0.000 0.259 343 E C 0.744 177.408 176.600 0.106 0.000 0.951 343 E CA 1.073 57.498 56.400 0.042 0.000 0.945 343 E CB 0.360 30.070 29.700 0.017 0.000 0.916 343 E HN 0.857 nan 8.360 nan 0.000 0.477 344 G N 2.545 111.481 108.800 0.226 0.000 2.634 344 G HA2 0.259 4.219 3.960 0.000 0.000 0.309 344 G HA3 0.259 4.219 3.960 0.000 0.000 0.309 344 G C -1.615 173.314 174.900 0.049 0.000 1.299 344 G CA -0.796 44.405 45.100 0.169 0.000 0.798 344 G HN 0.381 nan 8.290 nan 0.000 0.490 345 D N 2.079 122.343 120.400 -0.227 0.000 2.392 345 D HA 0.449 5.089 4.640 0.000 0.000 0.228 345 D C -2.154 173.599 176.300 -0.911 0.000 1.074 345 D CA -1.012 52.734 54.000 -0.422 0.000 0.838 345 D CB 2.001 42.616 40.800 -0.308 0.000 1.067 345 D HN 0.132 nan 8.370 nan 0.000 0.511 346 P HA -0.050 nan 4.420 nan 0.000 0.265 346 P C 0.097 176.841 177.300 -0.927 0.000 1.222 346 P CA -0.364 61.785 63.100 -1.584 0.000 0.767 346 P CB 0.657 31.141 31.700 -2.025 0.000 0.801 347 Q N 3.767 123.144 119.800 -0.705 0.000 2.431 347 Q HA -0.165 4.175 4.340 0.000 0.000 0.349 347 Q C -0.135 175.587 176.000 -0.464 0.000 1.119 347 Q CA 1.472 56.972 55.803 -0.506 0.000 1.065 347 Q CB 0.365 29.052 28.738 -0.085 0.000 1.149 347 Q HN 0.541 nan 8.270 nan 0.000 0.403 348 Q N 3.072 122.470 119.800 -0.670 0.000 2.164 348 Q HA 0.074 4.414 4.340 0.000 0.000 0.226 348 Q C 0.997 176.784 176.000 -0.355 0.000 0.813 348 Q CA -0.318 55.223 55.803 -0.437 0.000 0.978 348 Q CB 0.432 28.920 28.738 -0.416 0.000 1.149 348 Q HN 0.721 nan 8.270 nan 0.000 0.489 349 W N 0.227 121.453 121.300 -0.123 0.000 2.335 349 W HA -0.090 4.570 4.660 0.000 0.000 0.311 349 W C 0.305 176.447 176.519 -0.627 0.000 1.213 349 W CA 0.766 57.883 57.345 -0.379 0.000 1.274 349 W CB -0.368 28.788 29.460 -0.506 0.000 1.148 349 W HN 0.024 nan 8.180 nan 0.000 0.498 350 F N 1.318 121.315 119.950 0.078 0.000 2.308 350 F HA 0.364 4.891 4.527 0.000 0.000 0.370 350 F C -1.969 173.745 175.800 -0.143 0.000 1.100 350 F CA -2.571 55.356 58.000 -0.121 0.000 1.108 350 F CB -0.026 38.914 39.000 -0.100 0.000 1.293 350 F HN -0.458 nan 8.300 nan 0.000 0.478 351 P HA -0.049 nan 4.420 nan 0.000 0.269 351 P C -0.976 176.342 177.300 0.030 0.000 1.215 351 P CA -0.079 62.984 63.100 -0.062 0.000 0.780 351 P CB 0.445 32.037 31.700 -0.181 0.000 0.898 352 Y N 2.602 122.906 120.300 0.006 0.000 2.310 352 Y HA 0.459 5.009 4.550 0.000 0.000 0.326 352 Y C 0.044 175.955 175.900 0.019 0.000 1.151 352 Y CA -0.322 57.796 58.100 0.029 0.000 1.195 352 Y CB 0.813 39.321 38.460 0.079 0.000 1.210 352 Y HN 0.225 nan 8.280 nan 0.000 0.483 353 R N 3.487 123.462 120.500 -0.874 0.000 2.912 353 R HA 0.439 4.779 4.340 0.000 0.000 0.262 353 R C -0.069 175.600 176.300 -1.052 0.000 1.057 353 R CA -0.893 54.768 56.100 -0.732 0.000 0.981 353 R CB 1.290 31.392 30.300 -0.330 0.000 1.201 353 R HN 0.695 nan 8.270 nan 0.000 0.484 354 V N 0.391 120.000 119.914 -0.508 0.000 3.307 354 V HA -0.006 4.114 4.120 0.000 0.000 0.253 354 V C 0.385 176.410 176.094 -0.114 0.000 1.149 354 V CA 1.406 63.561 62.300 -0.242 0.000 1.112 354 V CB -0.066 31.721 31.823 -0.060 0.000 0.777 354 V HN 0.608 nan 8.190 nan 0.000 0.464 355 D N -0.695 119.615 120.400 -0.150 0.000 2.503 355 D HA 0.238 4.878 4.640 0.000 0.000 0.218 355 D C 0.394 176.574 176.300 -0.201 0.000 1.183 355 D CA 0.153 54.049 54.000 -0.173 0.000 0.827 355 D CB 1.114 41.829 40.800 -0.142 0.000 1.034 355 D HN 0.412 nan 8.370 nan 0.000 0.510 356 Q N 0.547 120.257 119.800 -0.149 0.000 2.309 356 Q HA 0.477 4.817 4.340 0.000 0.000 0.273 356 Q C -0.920 174.975 176.000 -0.174 0.000 1.040 356 Q CA -0.452 55.270 55.803 -0.136 0.000 0.834 356 Q CB 3.139 31.838 28.738 -0.064 0.000 1.345 356 Q HN 0.001 nan 8.270 nan 0.000 0.414 357 I N 3.684 124.110 120.570 -0.239 0.000 2.307 357 I HA 0.251 4.421 4.170 0.000 0.000 0.289 357 I C -0.377 175.741 176.117 0.003 0.000 1.021 357 I CA -0.579 60.610 61.300 -0.185 0.000 1.224 357 I CB 0.639 38.450 38.000 -0.316 0.000 1.376 357 I HN 0.364 nan 8.210 nan 0.000 0.470 358 L N 7.708 128.938 121.223 0.011 0.000 2.418 358 L HA 0.183 4.523 4.340 0.000 0.000 0.274 358 L C -0.524 176.340 176.870 -0.011 0.000 1.135 358 L CA -0.379 54.513 54.840 0.085 0.000 0.870 358 L CB -0.487 41.632 42.059 0.099 0.000 1.154 358 L HN 0.511 nan 8.230 nan 0.000 0.462 359 Y N 1.022 121.336 120.300 0.023 0.000 2.393 359 Y HA 0.463 5.013 4.550 0.000 0.000 0.341 359 Y C -0.581 175.403 175.900 0.140 0.000 0.988 359 Y CA -1.909 56.091 58.100 -0.167 0.000 1.078 359 Y CB 0.667 38.978 38.460 -0.248 0.000 1.203 359 Y HN 0.483 nan 8.280 nan 0.000 0.453 360 W N 7.323 128.536 121.300 -0.144 0.000 2.295 360 W HA 0.263 4.923 4.660 0.000 0.000 0.335 360 W C -2.032 174.553 176.519 0.110 0.000 1.351 360 W CA -2.122 55.267 57.345 0.074 0.000 1.273 360 W CB 0.874 30.430 29.460 0.161 0.000 1.214 360 W HN 0.555 nan 8.180 nan 0.000 0.563 361 P HA -0.189 nan 4.420 nan 0.000 0.216 361 P C 0.454 177.634 177.300 -0.200 0.000 1.153 361 P CA 1.609 64.677 63.100 -0.053 0.000 0.848 361 P CB 0.256 31.887 31.700 -0.115 0.000 0.787 362 E N -0.345 119.422 120.200 -0.722 0.000 2.528 362 E HA 0.152 4.502 4.350 0.000 0.000 0.237 362 E C -0.373 175.826 176.600 -0.667 0.000 1.408 362 E CA -0.086 55.780 56.400 -0.889 0.000 1.571 362 E CB -0.950 27.861 29.700 -1.482 0.000 1.395 362 E HN -0.081 nan 8.360 nan 0.000 0.438 363 S N -0.734 114.904 115.700 -0.103 0.000 2.549 363 S HA 0.409 4.879 4.470 0.000 0.000 0.280 363 S C -2.047 172.671 174.600 0.197 0.000 1.109 363 S CA -1.760 56.571 58.200 0.218 0.000 0.905 363 S CB 1.201 64.701 63.200 0.500 0.000 1.081 363 S HN -0.086 nan 8.310 nan 0.000 0.477 364 P HA -0.107 nan 4.420 nan 0.000 0.218 364 P C 0.255 177.635 177.300 0.132 0.000 1.154 364 P CA 0.818 63.993 63.100 0.125 0.000 0.872 364 P CB -0.093 31.678 31.700 0.118 0.000 0.790 365 F N 0.689 120.658 119.950 0.032 0.000 2.590 365 F HA 0.075 4.602 4.527 0.000 0.000 0.389 365 F C -0.179 175.549 175.800 -0.121 0.000 1.049 365 F CA -0.109 57.865 58.000 -0.043 0.000 1.199 365 F CB 0.102 39.089 39.000 -0.021 0.000 1.058 365 F HN -0.345 nan 8.300 nan 0.000 0.556 366 V N 9.257 128.790 119.914 -0.635 0.000 2.347 366 V HA 0.292 4.412 4.120 0.000 0.000 0.280 366 V C -1.890 173.630 176.094 -0.956 0.000 1.021 366 V CA -1.867 60.115 62.300 -0.530 0.000 0.847 366 V CB 1.051 32.678 31.823 -0.328 0.000 0.990 366 V HN 0.681 nan 8.190 nan 0.000 0.444 367 P HA 0.078 nan 4.420 nan 0.000 0.264 367 P C -1.938 175.076 177.300 -0.478 0.000 1.183 367 P CA -0.651 62.047 63.100 -0.669 0.000 0.763 367 P CB 0.521 31.941 31.700 -0.466 0.000 0.807 368 P HA -0.105 nan 4.420 nan 0.000 0.199 368 P C 1.162 178.379 177.300 -0.138 0.000 1.085 368 P CA 1.461 64.408 63.100 -0.255 0.000 0.924 368 P CB 0.287 31.886 31.700 -0.167 0.000 0.736 369 I N -3.759 116.770 120.570 -0.068 0.000 2.522 369 I HA 0.153 4.323 4.170 0.000 0.000 0.295 369 I C 1.652 177.752 176.117 -0.027 0.000 0.837 369 I CA 0.131 61.403 61.300 -0.046 0.000 2.423 369 I CB -0.931 37.035 38.000 -0.058 0.000 1.763 369 I HN 0.042 nan 8.210 nan 0.000 0.446 370 G N 3.508 112.256 108.800 -0.087 0.000 2.347 370 G HA2 -0.094 3.866 3.960 0.000 0.000 0.824 370 G HA3 -0.094 3.866 3.960 0.000 0.000 0.824 370 G C -2.000 172.830 174.900 -0.118 0.000 1.218 370 G CA 0.248 45.249 45.100 -0.165 0.000 1.407 370 G HN 0.328 nan 8.290 nan 0.000 0.794 371 P HA 0.362 nan 4.420 nan 0.000 0.206 371 P C -0.565 176.798 177.300 0.105 0.000 1.854 371 P CA -0.189 62.879 63.100 -0.053 0.000 0.969 371 P CB 0.127 31.796 31.700 -0.052 0.000 1.843 372 F N -1.113 118.782 119.950 -0.092 0.000 2.789 372 F HA 0.288 4.815 4.527 0.000 0.000 0.320 372 F C 0.280 175.871 175.800 -0.349 0.000 1.079 372 F CA -0.857 56.938 58.000 -0.342 0.000 1.205 372 F CB 0.039 38.686 39.000 -0.589 0.000 1.046 372 F HN -0.064 nan 8.300 nan 0.000 0.586 373 Y N 0.617 121.094 120.300 0.294 0.000 2.388 373 Y HA 0.647 5.197 4.550 0.000 0.000 0.328 373 Y C 0.191 176.369 175.900 0.462 0.000 0.963 373 Y CA -1.230 57.094 58.100 0.373 0.000 1.240 373 Y CB 1.033 39.686 38.460 0.322 0.000 1.118 373 Y HN -0.064 nan 8.280 nan 0.000 0.484 374 A N 5.624 128.700 122.820 0.426 0.000 2.309 374 A HA 0.524 4.844 4.320 0.000 0.000 0.298 374 A C -2.389 175.223 177.584 0.047 0.000 1.165 374 A CA -1.897 50.304 52.037 0.273 0.000 0.821 374 A CB 0.362 19.458 19.000 0.160 0.000 1.102 374 A HN 0.488 nan 8.150 nan 0.000 0.500 375 P HA 0.101 nan 4.420 nan 0.000 0.218 375 P C -0.556 176.611 177.300 -0.222 0.000 1.793 375 P CA -0.069 62.630 63.100 -0.668 0.000 0.941 375 P CB -0.587 30.970 31.700 -0.238 0.000 1.919 376 F N 2.008 121.844 119.950 -0.190 0.000 2.529 376 F HA 0.224 4.751 4.527 0.000 0.000 0.365 376 F C 0.587 176.463 175.800 0.128 0.000 1.102 376 F CA -0.379 57.624 58.000 0.006 0.000 1.271 376 F CB 0.717 39.760 39.000 0.073 0.000 1.120 376 F HN -0.023 nan 8.300 nan 0.000 0.579 377 R N 8.472 128.565 120.500 -0.680 0.000 2.388 377 R HA 0.417 4.757 4.340 0.000 0.000 0.314 377 R C -2.614 173.275 176.300 -0.684 0.000 0.959 377 R CA -2.192 53.738 56.100 -0.283 0.000 0.851 377 R CB 1.030 31.290 30.300 -0.067 0.000 1.168 377 R HN 0.458 nan 8.270 nan 0.000 0.472 378 P HA -0.063 nan 4.420 nan 0.000 0.271 378 P C 0.717 177.960 177.300 -0.095 0.000 1.238 378 P CA -0.222 62.755 63.100 -0.204 0.000 0.794 378 P CB 0.933 32.438 31.700 -0.325 0.000 0.959 379 V N 0.254 120.169 119.914 0.002 0.000 2.515 379 V HA -0.095 4.025 4.120 0.000 0.000 0.250 379 V C 1.025 177.173 176.094 0.089 0.000 1.058 379 V CA 1.725 64.048 62.300 0.038 0.000 1.064 379 V CB -0.875 30.980 31.823 0.054 0.000 0.675 379 V HN 0.653 nan 8.190 nan 0.000 0.461 380 N N -0.662 118.112 118.700 0.124 0.000 2.751 380 N HA 0.211 4.951 4.740 0.000 0.000 0.234 380 N C -1.245 174.330 175.510 0.108 0.000 1.403 380 N CA -0.241 52.891 53.050 0.137 0.000 0.747 380 N CB 0.872 39.438 38.487 0.131 0.000 1.326 380 N HN 0.328 nan 8.380 nan 0.000 0.532 381 F N 3.066 122.851 119.950 -0.276 0.000 2.467 381 F HA 0.248 4.775 4.527 0.000 0.000 0.362 381 F C -0.693 174.859 175.800 -0.412 0.000 1.090 381 F CA -1.326 56.256 58.000 -0.697 0.000 1.202 381 F CB 1.242 39.422 39.000 -1.366 0.000 1.113 381 F HN 0.290 nan 8.300 nan 0.000 0.541 382 P HA -0.063 nan 4.420 nan 0.000 0.231 382 P C -0.277 176.659 177.300 -0.607 0.000 1.168 382 P CA 0.618 63.391 63.100 -0.545 0.000 0.779 382 P CB 0.023 31.369 31.700 -0.591 0.000 0.844 383 F N 1.705 121.059 119.950 -0.994 0.000 2.399 383 F HA 0.319 4.846 4.527 0.000 0.000 0.342 383 F C 1.654 177.382 175.800 -0.121 0.000 1.106 383 F CA -0.264 57.382 58.000 -0.591 0.000 1.196 383 F CB 0.150 38.680 39.000 -0.783 0.000 1.163 383 F HN -0.169 nan 8.300 nan 0.000 0.547 384 T N -2.252 112.404 114.554 0.171 0.000 2.905 384 T HA 0.659 5.009 4.350 0.000 0.000 0.283 384 T C 0.005 174.822 174.700 0.195 0.000 1.031 384 T CA -0.714 61.518 62.100 0.221 0.000 1.002 384 T CB 1.675 70.608 68.868 0.109 0.000 1.200 384 T HN 0.706 nan 8.240 nan 0.000 0.560 385 T N -2.099 112.541 114.554 0.144 0.000 2.884 385 T HA 0.742 5.092 4.350 0.000 0.000 0.277 385 T C 0.515 175.216 174.700 0.001 0.000 0.976 385 T CA 0.339 62.495 62.100 0.092 0.000 0.956 385 T CB 0.602 69.524 68.868 0.090 0.000 1.113 385 T HN 2.115 nan 8.240 nan 0.000 0.554 386 G N 0.296 109.073 108.800 -0.039 0.000 2.357 386 G HA2 0.389 4.349 3.960 0.000 0.000 0.643 386 G HA3 0.389 4.349 3.960 0.000 0.000 0.643 386 G C -0.377 174.396 174.900 -0.212 0.000 1.358 386 G CA -0.075 44.958 45.100 -0.113 0.000 0.986 386 G HN 1.608 nan 8.290 nan 0.000 0.620 387 S N -1.103 114.453 115.700 -0.239 0.000 2.795 387 S HA 0.926 5.396 4.470 0.000 0.000 0.308 387 S C -1.184 173.162 174.600 -0.425 0.000 1.098 387 S CA -0.865 57.182 58.200 -0.255 0.000 0.934 387 S CB 1.992 65.154 63.200 -0.064 0.000 1.300 387 S HN 1.342 nan 8.310 nan 0.000 0.566 388 Y N 0.418 120.746 120.300 0.046 0.000 2.362 388 Y HA 0.409 4.959 4.550 0.000 0.000 0.326 388 Y C -0.124 175.790 175.900 0.023 0.000 1.083 388 Y CA -0.908 57.211 58.100 0.031 0.000 1.073 388 Y CB 1.649 40.111 38.460 0.003 0.000 1.211 388 Y HN 0.877 nan 8.280 nan 0.000 0.433 389 T N 0.291 114.962 114.554 0.196 0.000 2.794 389 T HA 0.481 4.831 4.350 0.000 0.000 0.296 389 T C 0.095 174.843 174.700 0.081 0.000 0.949 389 T CA -0.699 61.471 62.100 0.115 0.000 1.101 389 T CB 0.503 69.428 68.868 0.096 0.000 0.905 389 T HN 0.326 nan 8.240 nan 0.000 0.516 390 V N 3.842 123.792 119.914 0.061 0.000 2.673 390 V HA 0.177 4.297 4.120 0.000 0.000 0.303 390 V C 0.507 176.611 176.094 0.017 0.000 1.046 390 V CA -0.373 61.944 62.300 0.028 0.000 1.126 390 V CB 0.648 32.493 31.823 0.038 0.000 0.934 390 V HN 0.806 nan 8.190 nan 0.000 0.487 391 V N 6.694 126.601 119.914 -0.012 0.000 2.540 391 V HA 0.423 4.543 4.120 0.000 0.000 0.302 391 V C -1.836 174.254 176.094 -0.007 0.000 1.035 391 V CA -1.482 60.815 62.300 -0.004 0.000 0.873 391 V CB 2.082 33.896 31.823 -0.014 0.000 0.992 391 V HN 0.864 nan 8.190 nan 0.000 0.428 392 P HA 0.124 nan 4.420 nan 0.000 0.268 392 P C -0.800 176.512 177.300 0.020 0.000 1.208 392 P CA -0.350 62.764 63.100 0.023 0.000 0.777 392 P CB 0.581 32.299 31.700 0.030 0.000 0.875 393 D N 0.393 120.817 120.400 0.039 0.000 2.434 393 D HA 0.260 4.900 4.640 0.000 0.000 0.252 393 D C 0.509 176.833 176.300 0.041 0.000 1.185 393 D CA 0.392 54.423 54.000 0.053 0.000 0.886 393 D CB -0.068 40.794 40.800 0.104 0.000 1.148 393 D HN 0.391 nan 8.370 nan 0.000 0.483 394 A N 2.466 125.304 122.820 0.030 0.000 2.545 394 A HA 0.150 4.470 4.320 0.000 0.000 0.253 394 A C 1.543 179.141 177.584 0.023 0.000 1.074 394 A CA 0.110 52.160 52.037 0.022 0.000 0.760 394 A CB 0.082 19.090 19.000 0.014 0.000 1.005 394 A HN 0.619 nan 8.150 nan 0.000 0.506 395 S N 1.999 117.711 115.700 0.021 0.000 2.474 395 S HA 0.028 4.498 4.470 0.000 0.000 0.235 395 S C 0.693 175.299 174.600 0.011 0.000 0.997 395 S CA 0.840 59.051 58.200 0.018 0.000 0.949 395 S CB -0.288 62.924 63.200 0.019 0.000 0.766 395 S HN 1.091 nan 8.310 nan 0.000 0.517 396 R N -0.097 120.408 120.500 0.007 0.000 2.680 396 R HA 0.568 4.908 4.340 0.000 0.000 0.269 396 R C -3.497 172.800 176.300 -0.005 0.000 1.026 396 R CA -1.936 54.165 56.100 0.002 0.000 0.889 396 R CB -0.222 30.084 30.300 0.008 0.000 1.241 396 R HN -0.138 nan 8.270 nan 0.000 0.463 397 P HA -0.004 nan 4.420 nan 0.000 0.258 397 P C -0.332 176.955 177.300 -0.022 0.000 1.187 397 P CA 0.138 63.227 63.100 -0.018 0.000 0.767 397 P CB 0.260 31.996 31.700 0.060 0.000 0.770 398 L N 3.125 124.335 121.223 -0.021 0.000 2.290 398 L HA 0.490 4.830 4.340 0.000 0.000 0.284 398 L C 0.864 177.728 176.870 -0.010 0.000 1.078 398 L CA -1.147 53.694 54.840 0.001 0.000 0.815 398 L CB 0.667 42.746 42.059 0.035 0.000 1.162 398 L HN 0.320 nan 8.230 nan 0.000 0.435 399 R N 4.631 125.111 120.500 -0.034 0.000 2.641 399 R HA 0.536 4.876 4.340 0.000 0.000 0.269 399 R C -1.024 175.245 176.300 -0.050 0.000 1.074 399 R CA -0.606 55.457 56.100 -0.062 0.000 1.133 399 R CB 1.169 31.434 30.300 -0.057 0.000 1.029 399 R HN 0.928 nan 8.270 nan 0.000 0.488 400 L N 4.198 125.375 121.223 -0.077 0.000 2.377 400 L HA 0.382 4.722 4.340 0.000 0.000 0.270 400 L C -1.053 175.743 176.870 -0.124 0.000 0.991 400 L CA -0.844 53.933 54.840 -0.104 0.000 0.851 400 L CB 1.286 43.258 42.059 -0.145 0.000 1.218 400 L HN 0.671 nan 8.230 nan 0.000 0.420 401 L N 6.204 127.360 121.223 -0.112 0.000 2.514 401 L HA 0.241 4.581 4.340 0.000 0.000 0.280 401 L C -1.818 174.946 176.870 -0.178 0.000 1.223 401 L CA -1.118 53.651 54.840 -0.118 0.000 0.864 401 L CB 0.381 42.382 42.059 -0.096 0.000 1.118 401 L HN 0.550 nan 8.230 nan 0.000 0.494 402 P HA 0.249 nan 4.420 nan 0.000 0.300 402 P C -1.571 175.422 177.300 -0.513 0.000 1.356 402 P CA -0.681 62.194 63.100 -0.375 0.000 0.823 402 P CB 1.259 32.730 31.700 -0.381 0.000 0.934 403 Q N 2.721 122.238 119.800 -0.471 0.000 2.322 403 Q HA 0.368 4.708 4.340 0.000 0.000 0.265 403 Q C -0.659 175.075 176.000 -0.444 0.000 0.985 403 Q CA -0.691 54.889 55.803 -0.373 0.000 0.849 403 Q CB 1.507 30.130 28.738 -0.191 0.000 1.274 403 Q HN 0.421 nan 8.270 nan 0.000 0.449 404 Y N 0.626 120.897 120.300 -0.047 0.000 2.300 404 Y HA 0.322 4.872 4.550 0.000 0.000 0.328 404 Y C 0.814 176.690 175.900 -0.040 0.000 1.270 404 Y CA -0.353 57.721 58.100 -0.043 0.000 1.352 404 Y CB 0.739 39.178 38.460 -0.035 0.000 1.286 404 Y HN 0.505 nan 8.280 nan 0.000 0.536 405 R N 0.104 120.691 120.500 0.145 0.000 2.748 405 R HA 0.281 4.621 4.340 0.000 0.000 0.220 405 R C 1.020 177.357 176.300 0.062 0.000 1.404 405 R CA -0.587 55.553 56.100 0.066 0.000 1.039 405 R CB 0.598 30.922 30.300 0.039 0.000 1.904 405 R HN 0.753 nan 8.270 nan 0.000 0.529 406 N N -0.433 118.286 118.700 0.033 0.000 2.322 406 N HA 0.057 4.797 4.740 0.000 0.000 0.186 406 N C -0.310 175.206 175.510 0.009 0.000 1.037 406 N CA 0.547 53.609 53.050 0.019 0.000 0.869 406 N CB 0.016 38.510 38.487 0.012 0.000 1.036 406 N HN 0.527 nan 8.380 nan 0.000 0.439 407 A N 1.058 123.884 122.820 0.010 0.000 2.531 407 A HA 0.256 4.576 4.320 0.000 0.000 0.236 407 A C 0.243 177.827 177.584 -0.000 0.000 1.062 407 A CA 0.388 52.427 52.037 0.003 0.000 0.760 407 A CB -0.039 18.966 19.000 0.007 0.000 0.995 407 A HN 0.425 nan 8.150 nan 0.000 0.501 408 T N 0.362 114.907 114.554 -0.016 0.000 2.876 408 T HA 0.619 4.969 4.350 0.000 0.000 0.289 408 T C -0.277 174.407 174.700 -0.027 0.000 1.014 408 T CA -0.832 61.249 62.100 -0.032 0.000 0.986 408 T CB 0.760 69.586 68.868 -0.071 0.000 1.021 408 T HN 0.372 nan 8.240 nan 0.000 0.458 409 I N 3.300 123.856 120.570 -0.023 0.000 2.612 409 I HA 0.290 4.460 4.170 0.000 0.000 0.295 409 I C 1.384 177.482 176.117 -0.032 0.000 1.011 409 I CA -0.445 60.846 61.300 -0.016 0.000 1.326 409 I CB 1.140 39.141 38.000 0.002 0.000 1.427 409 I HN 0.991 nan 8.210 nan 0.000 0.537 410 T N 1.616 116.155 114.554 -0.025 0.000 2.794 410 T HA 0.298 4.648 4.350 0.000 0.000 0.296 410 T C 1.507 176.188 174.700 -0.031 0.000 0.949 410 T CA -0.768 61.313 62.100 -0.032 0.000 1.101 410 T CB 1.028 69.883 68.868 -0.022 0.000 0.905 410 T HN 0.311 nan 8.240 nan 0.000 0.516 411 V N 3.080 122.967 119.914 -0.046 0.000 2.280 411 V HA -0.350 3.770 4.120 0.000 0.000 0.258 411 V C 2.917 178.993 176.094 -0.030 0.000 1.081 411 V CA 2.363 64.635 62.300 -0.047 0.000 1.070 411 V CB -1.173 30.617 31.823 -0.055 0.000 0.666 411 V HN 0.947 nan 8.190 nan 0.000 0.450 412 Q N -0.728 119.059 119.800 -0.022 0.000 2.030 412 Q HA -0.298 4.042 4.340 0.000 0.000 0.204 412 Q C 2.478 178.478 176.000 0.001 0.000 0.986 412 Q CA 2.223 58.019 55.803 -0.011 0.000 0.843 412 Q CB -0.238 28.495 28.738 -0.009 0.000 0.904 412 Q HN 0.818 nan 8.270 nan 0.000 0.420 413 Q N -0.017 119.784 119.800 0.002 0.000 2.123 413 Q HA -0.048 4.292 4.340 0.000 0.000 0.199 413 Q C 1.426 177.441 176.000 0.024 0.000 0.966 413 Q CA 1.092 56.902 55.803 0.012 0.000 0.845 413 Q CB -0.040 28.703 28.738 0.007 0.000 0.907 413 Q HN 0.294 nan 8.270 nan 0.000 0.439 414 A N 0.309 123.138 122.820 0.015 0.000 2.261 414 A HA -0.036 4.284 4.320 0.000 0.000 0.208 414 A C 1.056 178.663 177.584 0.038 0.000 1.223 414 A CA 0.623 52.677 52.037 0.028 0.000 0.833 414 A CB -0.017 18.986 19.000 0.005 0.000 0.830 414 A HN 0.419 nan 8.150 nan 0.000 0.483 415 D N -0.036 120.385 120.400 0.035 0.000 2.943 415 D HA -0.095 4.545 4.640 0.000 0.000 0.282 415 D C 1.334 177.704 176.300 0.117 0.000 1.148 415 D CA 1.031 55.051 54.000 0.033 0.000 1.006 415 D CB 0.001 40.796 40.800 -0.007 0.000 1.168 415 D HN 0.535 nan 8.370 nan 0.000 0.450 416 D N 1.690 122.141 120.400 0.084 0.000 2.182 416 D HA -0.144 4.496 4.640 0.000 0.000 0.201 416 D C 1.838 178.203 176.300 0.107 0.000 0.986 416 D CA 1.125 55.181 54.000 0.093 0.000 0.847 416 D CB -0.310 40.522 40.800 0.053 0.000 0.942 416 D HN 0.116 nan 8.370 nan 0.000 0.467 417 A N 0.571 123.451 122.820 0.099 0.000 1.917 417 A HA -0.249 4.071 4.320 0.000 0.000 0.219 417 A C 2.232 179.888 177.584 0.121 0.000 1.182 417 A CA 1.817 53.908 52.037 0.090 0.000 0.633 417 A CB -1.312 17.737 19.000 0.083 0.000 0.819 417 A HN 0.471 nan 8.150 nan 0.000 0.448 418 Y N 0.940 121.256 120.300 0.026 0.000 2.184 418 Y HA -0.056 4.494 4.550 0.000 0.000 0.290 418 Y C 1.859 177.777 175.900 0.030 0.000 1.129 418 Y CA 1.887 60.006 58.100 0.033 0.000 1.144 418 Y CB -0.432 38.045 38.460 0.029 0.000 0.995 418 Y HN 0.456 nan 8.280 nan 0.000 0.513 419 E N -0.153 120.241 120.200 0.323 0.000 2.516 419 E HA -0.118 4.232 4.350 0.000 0.000 0.199 419 E C 0.911 177.535 176.600 0.039 0.000 1.069 419 E CA 0.687 57.199 56.400 0.186 0.000 0.876 419 E CB 0.013 29.850 29.700 0.227 0.000 0.843 419 E HN 0.557 nan 8.360 nan 0.000 0.530 420 D N -0.114 120.296 120.400 0.016 0.000 2.392 420 D HA -0.007 4.633 4.640 0.000 0.000 0.206 420 D C 1.148 177.437 176.300 -0.019 0.000 1.046 420 D CA 0.963 54.966 54.000 0.005 0.000 0.865 420 D CB 0.784 41.595 40.800 0.019 0.000 0.969 420 D HN 0.206 nan 8.370 nan 0.000 0.509 421 T N -2.417 112.096 114.554 -0.068 0.000 3.332 421 T HA 0.531 4.881 4.350 0.000 0.000 0.304 421 T C 0.381 174.981 174.700 -0.166 0.000 0.971 421 T CA -0.540 61.519 62.100 -0.070 0.000 0.954 421 T CB 0.657 69.507 68.868 -0.029 0.000 1.175 421 T HN 0.017 nan 8.240 nan 0.000 0.519 422 A N 1.326 123.954 122.820 -0.319 0.000 2.302 422 A HA 0.760 5.080 4.320 0.000 0.000 0.285 422 A C -0.225 177.224 177.584 -0.225 0.000 1.105 422 A CA -0.627 51.126 52.037 -0.474 0.000 0.816 422 A CB 0.355 18.658 19.000 -1.161 0.000 1.067 422 A HN 0.348 nan 8.150 nan 0.000 0.489 423 L N 2.606 123.728 121.223 -0.167 0.000 2.358 423 L HA 0.238 4.578 4.340 0.000 0.000 0.274 423 L C 1.403 178.206 176.870 -0.111 0.000 1.136 423 L CA 0.650 55.418 54.840 -0.121 0.000 0.970 423 L CB -0.232 41.746 42.059 -0.135 0.000 1.314 423 L HN 0.868 nan 8.230 nan 0.000 0.427 424 S N 4.064 119.720 115.700 -0.074 0.000 2.406 424 S HA 0.003 4.473 4.470 0.000 0.000 0.211 424 S C -1.429 173.140 174.600 -0.052 0.000 1.045 424 S CA 0.947 59.130 58.200 -0.029 0.000 1.058 424 S CB -0.419 62.782 63.200 0.002 0.000 1.044 424 S HN 0.495 nan 8.310 nan 0.000 0.413 425 P HA 0.189 nan 4.420 nan 0.000 0.235 425 P C -1.052 176.179 177.300 -0.116 0.000 1.765 425 P CA -0.035 63.026 63.100 -0.065 0.000 1.034 425 P CB -0.338 31.336 31.700 -0.044 0.000 1.984 426 L N 2.380 123.502 121.223 -0.169 0.000 2.385 426 L HA 0.218 4.558 4.340 0.000 0.000 0.281 426 L C -0.061 176.635 176.870 -0.290 0.000 1.106 426 L CA -0.315 54.339 54.840 -0.310 0.000 0.856 426 L CB -0.387 41.417 42.059 -0.425 0.000 1.186 426 L HN 0.068 nan 8.230 nan 0.000 0.453 427 I N 4.643 125.057 120.570 -0.260 0.000 2.683 427 I HA 0.177 4.347 4.170 0.000 0.000 0.286 427 I C 0.750 176.762 176.117 -0.175 0.000 1.175 427 I CA 0.732 61.936 61.300 -0.160 0.000 1.429 427 I CB 0.556 38.499 38.000 -0.095 0.000 1.371 427 I HN 0.781 nan 8.210 nan 0.000 0.569 428 T N 1.872 116.365 114.554 -0.103 0.000 2.912 428 T HA 0.474 4.824 4.350 0.000 0.000 0.299 428 T C -0.229 174.435 174.700 -0.059 0.000 1.052 428 T CA -0.828 61.227 62.100 -0.075 0.000 0.996 428 T CB 1.361 70.149 68.868 -0.134 0.000 1.070 428 T HN 0.455 nan 8.240 nan 0.000 0.465 429 T N 2.966 117.508 114.554 -0.020 0.000 2.904 429 T HA 0.309 4.659 4.350 0.000 0.000 0.290 429 T C 0.972 175.632 174.700 -0.066 0.000 1.018 429 T CA -0.593 61.523 62.100 0.028 0.000 1.075 429 T CB 0.678 69.566 68.868 0.032 0.000 0.986 429 T HN 0.730 nan 8.240 nan 0.000 0.523 430 H N 0.884 119.936 119.070 -0.030 0.000 2.439 430 H HA 0.221 4.777 4.556 0.000 0.000 0.299 430 H C 1.728 177.103 175.328 0.079 0.000 1.033 430 H CA 0.693 56.729 56.048 -0.020 0.000 1.348 430 H CB 0.122 29.802 29.762 -0.137 0.000 1.449 430 H HN 0.942 nan 8.280 nan 0.000 0.544 431 G N 1.142 109.939 108.800 -0.004 0.000 2.539 431 G HA2 -0.281 3.679 3.960 0.000 0.000 0.256 431 G HA3 -0.281 3.679 3.960 0.000 0.000 0.256 431 G C -0.807 173.767 174.900 -0.544 0.000 1.233 431 G CA 0.033 44.980 45.100 -0.255 0.000 0.936 431 G HN 0.234 nan 8.290 nan 0.000 0.571 432 F N 0.552 120.585 119.950 0.138 0.000 2.536 432 F HA 0.477 5.004 4.527 0.000 0.000 0.322 432 F C 1.498 177.148 175.800 -0.250 0.000 1.144 432 F CA -0.246 57.741 58.000 -0.021 0.000 0.924 432 F CB 1.436 40.426 39.000 -0.016 0.000 1.181 432 F HN 0.915 nan 8.300 nan 0.000 0.438 433 C N -0.036 118.983 119.300 -0.468 0.000 2.464 433 C HA 0.392 4.852 4.460 0.000 0.000 0.278 433 C C 0.489 175.310 174.990 -0.283 0.000 1.375 433 C CA -0.245 58.251 59.018 -0.870 0.000 1.761 433 C CB -0.839 26.080 27.740 -1.368 0.000 1.944 433 C HN 0.398 nan 8.230 nan 0.000 0.509 434 V N 1.731 121.555 119.914 -0.150 0.000 2.588 434 V HA 0.561 4.681 4.120 0.000 0.000 0.304 434 V C 0.789 176.836 176.094 -0.079 0.000 1.042 434 V CA 0.674 62.917 62.300 -0.095 0.000 0.877 434 V CB 1.897 33.632 31.823 -0.148 0.000 0.996 434 V HN 0.543 nan 8.190 nan 0.000 0.425 435 T N -0.096 114.425 114.554 -0.055 0.000 3.009 435 T HA 0.270 4.620 4.350 0.000 0.000 0.267 435 T C 0.849 175.516 174.700 -0.054 0.000 0.942 435 T CA 0.533 62.592 62.100 -0.069 0.000 0.883 435 T CB 0.352 69.197 68.868 -0.038 0.000 1.192 435 T HN 0.855 nan 8.240 nan 0.000 0.524 436 G N 0.771 109.554 108.800 -0.029 0.000 2.653 436 G HA2 0.514 4.474 3.960 0.000 0.000 0.265 436 G HA3 0.514 4.474 3.960 0.000 0.000 0.265 436 G C 0.719 175.613 174.900 -0.010 0.000 1.237 436 G CA -0.229 44.865 45.100 -0.009 0.000 0.946 436 G HN 0.490 nan 8.290 nan 0.000 0.522 437 G N -1.809 106.998 108.800 0.011 0.000 2.608 437 G HA2 0.375 4.335 3.960 0.000 0.000 0.212 437 G HA3 0.375 4.335 3.960 0.000 0.000 0.212 437 G C 0.099 175.023 174.900 0.039 0.000 1.572 437 G CA 0.503 45.611 45.100 0.014 0.000 1.064 437 G HN 1.033 nan 8.290 nan 0.000 0.556 438 V N -1.176 118.771 119.914 0.055 0.000 2.966 438 V HA 0.692 4.812 4.120 0.000 0.000 0.317 438 V C -0.822 175.378 176.094 0.176 0.000 1.070 438 V CA -0.866 61.486 62.300 0.088 0.000 1.008 438 V CB 1.784 33.631 31.823 0.040 0.000 1.070 438 V HN 0.477 nan 8.190 nan 0.000 0.457 439 F N 3.750 123.705 119.950 0.008 0.000 2.798 439 F HA 0.413 4.940 4.527 0.000 0.000 0.333 439 F C 0.798 176.596 175.800 -0.004 0.000 1.324 439 F CA -0.608 57.400 58.000 0.014 0.000 1.183 439 F CB -0.353 38.667 39.000 0.033 0.000 1.132 439 F HN 0.705 nan 8.300 nan 0.000 0.521 440 T N -0.041 114.432 114.554 -0.136 0.000 2.906 440 T HA 0.304 4.654 4.350 0.000 0.000 0.329 440 T C 0.315 174.797 174.700 -0.365 0.000 1.091 440 T CA 0.116 62.096 62.100 -0.200 0.000 1.127 440 T CB 0.652 69.432 68.868 -0.147 0.000 1.035 440 T HN 0.545 nan 8.240 nan 0.000 0.547 441 S N 1.307 116.811 115.700 -0.326 0.000 2.609 441 S HA 0.476 4.946 4.470 0.000 0.000 0.250 441 S C -0.342 173.916 174.600 -0.570 0.000 1.112 441 S CA -1.084 56.833 58.200 -0.471 0.000 1.102 441 S CB -0.052 62.879 63.200 -0.447 0.000 1.124 441 S HN 0.718 nan 8.310 nan 0.000 0.460 442 I N 2.558 122.814 120.570 -0.523 0.000 2.882 442 I HA 0.368 4.538 4.170 0.000 0.000 0.286 442 I C -0.755 175.001 176.117 -0.602 0.000 1.139 442 I CA -0.371 60.652 61.300 -0.462 0.000 1.379 442 I CB 0.394 38.235 38.000 -0.265 0.000 1.410 442 I HN 0.624 nan 8.210 nan 0.000 0.594 443 Y N 1.590 121.841 120.300 -0.083 0.000 2.313 443 Y HA 0.216 4.766 4.550 0.000 0.000 0.320 443 Y C -0.952 174.929 175.900 -0.033 0.000 1.171 443 Y CA -1.124 56.950 58.100 -0.043 0.000 1.093 443 Y CB 1.248 39.672 38.460 -0.060 0.000 1.224 443 Y HN 0.469 nan 8.280 nan 0.000 0.421 444 D N 3.769 124.230 120.400 0.102 0.000 2.339 444 D HA 0.306 4.946 4.640 0.000 0.000 0.241 444 D C 0.748 177.025 176.300 -0.039 0.000 1.183 444 D CA 0.061 54.015 54.000 -0.077 0.000 0.859 444 D CB 0.800 41.533 40.800 -0.112 0.000 1.067 444 D HN 0.365 nan 8.370 nan 0.000 0.484 445 I N 1.704 122.249 120.570 -0.042 0.000 2.480 445 I HA -0.125 4.045 4.170 0.000 0.000 0.251 445 I C 2.238 178.354 176.117 -0.002 0.000 1.124 445 I CA 0.767 62.073 61.300 0.009 0.000 1.444 445 I CB -1.094 36.976 38.000 0.116 0.000 1.098 445 I HN 0.372 nan 8.210 nan 0.000 0.428 446 S N 0.739 116.423 115.700 -0.027 0.000 2.489 446 S HA 0.021 4.491 4.470 0.000 0.000 0.228 446 S C 2.087 176.669 174.600 -0.029 0.000 0.995 446 S CA 0.657 58.853 58.200 -0.006 0.000 0.934 446 S CB -0.755 62.454 63.200 0.015 0.000 0.771 446 S HN 0.385 nan 8.310 nan 0.000 0.522 447 G N 1.653 110.416 108.800 -0.063 0.000 2.453 447 G HA2 -0.069 3.891 3.960 0.000 0.000 0.215 447 G HA3 -0.069 3.891 3.960 0.000 0.000 0.215 447 G C 0.051 174.951 174.900 -0.001 0.000 1.201 447 G CA 0.507 45.588 45.100 -0.032 0.000 0.784 447 G HN 0.501 nan 8.290 nan 0.000 0.545 448 D N 1.157 121.560 120.400 0.006 0.000 2.533 448 D HA 0.257 4.897 4.640 0.000 0.000 0.236 448 D C -1.635 174.671 176.300 0.011 0.000 1.137 448 D CA -0.501 53.511 54.000 0.019 0.000 0.867 448 D CB 1.504 42.318 40.800 0.023 0.000 1.170 448 D HN 0.098 nan 8.370 nan 0.000 0.474 449 P HA 0.080 nan 4.420 nan 0.000 0.257 449 P C -0.665 176.643 177.300 0.012 0.000 1.325 449 P CA 0.135 63.241 63.100 0.010 0.000 0.850 449 P CB 0.586 32.292 31.700 0.010 0.000 1.324 450 T N 0.638 115.207 114.554 0.024 0.000 2.794 450 T HA 0.584 4.934 4.350 0.000 0.000 0.280 450 T C 0.164 174.887 174.700 0.038 0.000 0.987 450 T CA -0.503 61.619 62.100 0.037 0.000 0.993 450 T CB 1.378 70.288 68.868 0.070 0.000 0.939 450 T HN -0.085 nan 8.240 nan 0.000 0.449 451 A N 3.060 125.891 122.820 0.019 0.000 2.401 451 A HA 0.527 4.847 4.320 0.000 0.000 0.259 451 A C -0.979 176.631 177.584 0.045 0.000 1.103 451 A CA -0.230 51.809 52.037 0.005 0.000 0.789 451 A CB -0.053 18.933 19.000 -0.024 0.000 1.035 451 A HN 0.847 nan 8.150 nan 0.000 0.491 452 Y N 3.586 123.845 120.300 -0.069 0.000 2.402 452 Y HA 0.429 4.979 4.550 0.000 0.000 0.325 452 Y C -2.545 173.333 175.900 -0.036 0.000 1.009 452 Y CA -2.558 55.516 58.100 -0.043 0.000 1.278 452 Y CB 1.688 40.121 38.460 -0.046 0.000 1.105 452 Y HN 0.542 nan 8.280 nan 0.000 0.476 453 P HA -0.109 nan 4.420 nan 0.000 0.248 453 P C -1.956 175.438 177.300 0.157 0.000 1.127 453 P CA -0.250 62.843 63.100 -0.012 0.000 0.801 453 P CB 0.320 31.953 31.700 -0.112 0.000 0.732 454 P HA -0.213 nan 4.420 nan 0.000 0.226 454 P C 0.925 178.373 177.300 0.247 0.000 1.146 454 P CA 1.326 64.590 63.100 0.273 0.000 0.773 454 P CB 0.003 31.892 31.700 0.314 0.000 0.772 455 A N 0.685 123.606 122.820 0.168 0.000 1.970 455 A HA -0.122 4.198 4.320 0.000 0.000 0.216 455 A C 1.724 179.395 177.584 0.145 0.000 1.170 455 A CA 0.710 52.829 52.037 0.138 0.000 0.645 455 A CB -0.870 18.181 19.000 0.084 0.000 0.816 455 A HN 0.415 nan 8.150 nan 0.000 0.447 456 Q N 0.397 120.292 119.800 0.159 0.000 2.819 456 Q HA 0.543 4.883 4.340 0.000 0.000 0.392 456 Q C -0.546 175.638 176.000 0.306 0.000 1.088 456 Q CA -0.500 55.409 55.803 0.176 0.000 1.062 456 Q CB 0.212 29.009 28.738 0.098 0.000 1.369 456 Q HN 0.243 nan 8.270 nan 0.000 0.434 457 L N 0.383 121.751 121.223 0.242 0.000 2.440 457 L HA 0.425 4.765 4.340 0.000 0.000 0.262 457 L C 0.417 177.355 176.870 0.113 0.000 1.072 457 L CA -1.105 53.827 54.840 0.154 0.000 0.798 457 L CB 1.453 43.561 42.059 0.082 0.000 1.307 457 L HN 0.201 nan 8.230 nan 0.000 0.475 458 V N 1.258 121.212 119.914 0.067 0.000 2.352 458 V HA 0.010 4.130 4.120 0.000 0.000 0.253 458 V C 0.179 176.289 176.094 0.026 0.000 1.083 458 V CA -0.469 61.856 62.300 0.042 0.000 0.993 458 V CB 0.144 32.007 31.823 0.067 0.000 1.111 458 V HN 0.640 nan 8.190 nan 0.000 0.490 459 D N 4.033 124.434 120.400 0.000 0.000 2.382 459 D HA 0.379 5.019 4.640 0.000 0.000 0.240 459 D C 0.761 176.943 176.300 -0.196 0.000 1.146 459 D CA 0.194 54.200 54.000 0.010 0.000 0.897 459 D CB 1.071 41.896 40.800 0.041 0.000 1.197 459 D HN 0.804 nan 8.370 nan 0.000 0.432 460 A N 3.961 126.723 122.820 -0.096 0.000 2.592 460 A HA 0.110 4.430 4.320 0.000 0.000 0.250 460 A C -1.919 175.515 177.584 -0.249 0.000 1.017 460 A CA -0.697 51.214 52.037 -0.210 0.000 0.794 460 A CB -0.525 18.525 19.000 0.083 0.000 0.917 460 A HN 0.500 nan 8.150 nan 0.000 0.515 461 P HA -0.023 nan 4.420 nan 0.000 0.268 461 P C 0.783 178.098 177.300 0.025 0.000 1.204 461 P CA -0.302 62.695 63.100 -0.172 0.000 0.768 461 P CB 0.684 32.296 31.700 -0.147 0.000 0.842 462 N N 3.761 122.482 118.700 0.034 0.000 2.023 462 N HA -0.254 4.486 4.740 0.000 0.000 0.200 462 N C 1.151 176.740 175.510 0.132 0.000 1.048 462 N CA 2.662 55.763 53.050 0.084 0.000 0.872 462 N CB -0.907 37.607 38.487 0.046 0.000 1.070 462 N HN 0.530 nan 8.380 nan 0.000 0.441 463 D N -0.586 119.867 120.400 0.090 0.000 2.218 463 D HA -0.265 4.375 4.640 0.000 0.000 0.194 463 D C 2.004 178.348 176.300 0.074 0.000 1.007 463 D CA 1.524 55.567 54.000 0.072 0.000 0.879 463 D CB -1.208 39.616 40.800 0.039 0.000 0.918 463 D HN 0.546 nan 8.370 nan 0.000 0.449 464 Y N 0.338 120.604 120.300 -0.057 0.000 2.064 464 Y HA -0.287 4.263 4.550 0.000 0.000 0.262 464 Y C 0.673 176.365 175.900 -0.346 0.000 1.243 464 Y CA 1.723 59.694 58.100 -0.214 0.000 1.096 464 Y CB -0.430 37.842 38.460 -0.314 0.000 0.915 464 Y HN -0.045 nan 8.280 nan 0.000 0.505 465 F N 1.121 121.132 119.950 0.101 0.000 2.368 465 F HA 0.338 4.865 4.527 0.000 0.000 0.362 465 F C -0.342 175.452 175.800 -0.011 0.000 1.137 465 F CA -0.222 57.781 58.000 0.005 0.000 1.161 465 F CB 0.635 39.620 39.000 -0.025 0.000 1.265 465 F HN -0.026 nan 8.300 nan 0.000 0.530 466 D N 0.936 121.373 120.400 0.061 0.000 2.745 466 D HA 0.236 4.876 4.640 0.000 0.000 0.221 466 D C 0.650 176.958 176.300 0.014 0.000 1.237 466 D CA -0.710 53.315 54.000 0.043 0.000 0.781 466 D CB 1.234 42.051 40.800 0.029 0.000 1.575 466 D HN 0.287 nan 8.370 nan 0.000 0.482 467 R N 1.240 121.750 120.500 0.017 0.000 2.119 467 R HA -0.182 4.158 4.340 0.000 0.000 0.246 467 R C 1.252 177.556 176.300 0.007 0.000 1.146 467 R CA 2.012 58.113 56.100 0.003 0.000 0.962 467 R CB -0.035 30.260 30.300 -0.010 0.000 0.863 467 R HN 0.604 nan 8.270 nan 0.000 0.442 468 E N -0.127 120.081 120.200 0.014 0.000 2.028 468 E HA -0.166 4.184 4.350 0.000 0.000 0.190 468 E C 2.140 178.765 176.600 0.042 0.000 0.984 468 E CA 0.815 57.240 56.400 0.042 0.000 0.800 468 E CB -0.089 29.629 29.700 0.030 0.000 0.758 468 E HN 0.167 nan 8.360 nan 0.000 0.448 469 R N 0.968 121.459 120.500 -0.015 0.000 2.062 469 R HA -0.066 4.274 4.340 0.000 0.000 0.231 469 R C 2.313 178.559 176.300 -0.090 0.000 1.136 469 R CA 1.469 57.524 56.100 -0.076 0.000 0.948 469 R CB -0.114 30.102 30.300 -0.140 0.000 0.845 469 R HN 0.104 nan 8.270 nan 0.000 0.430 470 M N -0.064 119.485 119.600 -0.086 0.000 2.108 470 M HA -0.142 4.338 4.480 0.000 0.000 0.261 470 M C 2.404 178.723 176.300 0.033 0.000 1.066 470 M CA 1.821 57.084 55.300 -0.062 0.000 1.107 470 M CB -0.455 32.128 32.600 -0.029 0.000 1.356 470 M HN 0.361 nan 8.290 nan 0.000 0.406 471 A N 0.642 123.514 122.820 0.087 0.000 1.892 471 A HA -0.225 4.095 4.320 0.000 0.000 0.218 471 A C 2.195 179.966 177.584 0.311 0.000 1.188 471 A CA 2.045 54.213 52.037 0.219 0.000 0.631 471 A CB -0.722 18.416 19.000 0.229 0.000 0.822 471 A HN 0.446 nan 8.150 nan 0.000 0.447 472 R N -1.486 119.131 120.500 0.195 0.000 2.062 472 R HA -0.010 4.330 4.340 0.000 0.000 0.229 472 R C 2.554 178.899 176.300 0.074 0.000 1.128 472 R CA 1.240 57.383 56.100 0.072 0.000 0.960 472 R CB -0.271 30.011 30.300 -0.031 0.000 0.855 472 R HN 0.480 nan 8.270 nan 0.000 0.432 473 R N 0.382 120.898 120.500 0.027 0.000 2.139 473 R HA -0.195 4.145 4.340 0.000 0.000 0.243 473 R C 1.655 178.020 176.300 0.109 0.000 1.145 473 R CA 2.022 58.146 56.100 0.039 0.000 0.976 473 R CB -0.181 30.072 30.300 -0.078 0.000 0.866 473 R HN 0.230 nan 8.270 nan 0.000 0.449 474 D N -0.014 120.449 120.400 0.105 0.000 2.120 474 D HA -0.141 4.499 4.640 0.000 0.000 0.202 474 D C 1.977 178.369 176.300 0.154 0.000 0.972 474 D CA 0.689 54.755 54.000 0.109 0.000 0.837 474 D CB -0.025 40.836 40.800 0.102 0.000 0.989 474 D HN 0.186 nan 8.370 nan 0.000 0.469 475 L N -0.516 120.839 121.223 0.219 0.000 1.990 475 L HA -0.148 4.192 4.340 0.000 0.000 0.213 475 L C 2.293 179.358 176.870 0.325 0.000 1.072 475 L CA 1.579 56.601 54.840 0.304 0.000 0.755 475 L CB -0.555 41.604 42.059 0.166 0.000 0.889 475 L HN 0.171 nan 8.230 nan 0.000 0.432 476 F N 0.674 120.665 119.950 0.068 0.000 2.126 476 F HA -0.329 4.198 4.527 0.000 0.000 0.299 476 F C 2.809 178.645 175.800 0.059 0.000 1.096 476 F CA 1.803 59.826 58.000 0.039 0.000 1.255 476 F CB -0.158 38.834 39.000 -0.013 0.000 0.997 476 F HN 0.102 nan 8.300 nan 0.000 0.479 477 R N 0.779 121.291 120.500 0.021 0.000 2.096 477 R HA -0.223 4.117 4.340 0.000 0.000 0.240 477 R C 2.237 178.482 176.300 -0.091 0.000 1.139 477 R CA 2.173 58.215 56.100 -0.097 0.000 0.952 477 R CB -0.393 29.901 30.300 -0.010 0.000 0.854 477 R HN 0.295 nan 8.270 nan 0.000 0.436 478 R N 0.144 120.635 120.500 -0.015 0.000 2.193 478 R HA 0.021 4.361 4.340 0.000 0.000 0.213 478 R C 2.011 178.393 176.300 0.137 0.000 1.055 478 R CA 0.565 56.642 56.100 -0.039 0.000 0.995 478 R CB -0.113 30.012 30.300 -0.291 0.000 0.893 478 R HN 0.302 nan 8.270 nan 0.000 0.459 479 L N 1.180 122.538 121.223 0.224 0.000 2.711 479 L HA 0.011 4.351 4.340 0.000 0.000 0.242 479 L C 0.824 177.774 176.870 0.134 0.000 1.153 479 L CA 0.297 55.302 54.840 0.274 0.000 0.898 479 L CB -0.162 42.021 42.059 0.206 0.000 1.044 479 L HN 0.018 nan 8.230 nan 0.000 0.437 480 R N 1.036 121.566 120.500 0.051 0.000 2.272 480 R HA 0.413 4.753 4.340 0.000 0.000 0.323 480 R C -0.063 176.151 176.300 -0.143 0.000 1.002 480 R CA -0.496 55.553 56.100 -0.085 0.000 0.900 480 R CB 0.968 31.117 30.300 -0.252 0.000 1.151 480 R HN 0.060 nan 8.270 nan 0.000 0.507 481 A N 6.855 129.460 122.820 -0.358 0.000 2.532 481 A HA 0.122 4.442 4.320 0.000 0.000 0.269 481 A C -1.896 175.345 177.584 -0.572 0.000 1.079 481 A CA -0.493 50.864 52.037 -1.133 0.000 0.800 481 A CB -0.405 18.012 19.000 -0.971 0.000 1.000 481 A HN 0.667 nan 8.150 nan 0.000 0.522 486 S N 1.314 117.040 115.700 0.044 0.000 2.399 486 S HA -0.097 4.373 4.470 0.000 0.000 0.231 486 S C 2.119 176.739 174.600 0.034 0.000 1.022 486 S CA 1.087 59.337 58.200 0.082 0.000 0.983 486 S CB -0.119 63.157 63.200 0.127 0.000 0.803 486 S HN 0.377 nan 8.310 nan 0.000 0.480 487 A N 1.971 124.788 122.820 -0.004 0.000 1.958 487 A HA -0.065 4.255 4.320 0.000 0.000 0.221 487 A C 2.155 179.716 177.584 -0.038 0.000 1.178 487 A CA 1.832 53.845 52.037 -0.040 0.000 0.642 487 A CB -0.801 18.170 19.000 -0.048 0.000 0.816 487 A HN 0.665 nan 8.150 nan 0.000 0.453 488 I N -1.667 118.891 120.570 -0.021 0.000 2.260 488 I HA -0.132 4.038 4.170 0.000 0.000 0.237 488 I C 2.454 178.562 176.117 -0.015 0.000 1.075 488 I CA 1.141 62.430 61.300 -0.019 0.000 1.376 488 I CB -0.462 37.528 38.000 -0.016 0.000 1.107 488 I HN 0.185 nan 8.210 nan 0.000 0.420 489 K N 1.189 121.589 120.400 -0.000 0.000 1.987 489 K HA -0.269 4.051 4.320 0.000 0.000 0.216 489 K C 1.757 178.329 176.600 -0.046 0.000 1.051 489 K CA 2.582 58.852 56.287 -0.029 0.000 0.942 489 K CB -0.325 32.216 32.500 0.069 0.000 0.722 489 K HN 0.203 nan 8.250 nan 0.000 0.444 490 D N -0.559 119.878 120.400 0.062 0.000 2.126 490 D HA -0.204 4.436 4.640 0.000 0.000 0.190 490 D C 1.999 178.348 176.300 0.081 0.000 1.001 490 D CA 1.562 55.630 54.000 0.112 0.000 0.841 490 D CB 0.024 40.843 40.800 0.032 0.000 0.949 490 D HN 0.130 nan 8.370 nan 0.000 0.446 491 R N 0.103 120.588 120.500 -0.026 0.000 2.105 491 R HA -0.148 4.192 4.340 0.000 0.000 0.239 491 R C 2.109 178.454 176.300 0.075 0.000 1.135 491 R CA 1.333 57.422 56.100 -0.018 0.000 0.967 491 R CB -0.202 30.066 30.300 -0.052 0.000 0.861 491 R HN 0.185 nan 8.270 nan 0.000 0.442 492 A N 0.212 123.045 122.820 0.023 0.000 1.883 492 A HA -0.143 4.177 4.320 0.000 0.000 0.217 492 A C 2.247 179.845 177.584 0.024 0.000 1.186 492 A CA 1.797 53.833 52.037 -0.003 0.000 0.624 492 A CB -0.659 18.299 19.000 -0.071 0.000 0.822 492 A HN 0.235 nan 8.150 nan 0.000 0.444 493 V N -1.474 118.439 119.914 -0.001 0.000 2.407 493 V HA -0.233 3.887 4.120 0.000 0.000 0.248 493 V C 2.263 178.451 176.094 0.156 0.000 1.055 493 V CA 1.948 64.260 62.300 0.020 0.000 1.049 493 V CB -0.911 30.898 31.823 -0.025 0.000 0.662 493 V HN 0.594 nan 8.190 nan 0.000 0.455 494 F N 0.002 119.971 119.950 0.032 0.000 2.367 494 F HA -0.081 4.446 4.527 0.000 0.000 0.298 494 F C 2.262 178.070 175.800 0.013 0.000 1.094 494 F CA 1.029 59.045 58.000 0.027 0.000 1.409 494 F CB -0.221 38.770 39.000 -0.014 0.000 1.064 494 F HN 0.185 nan 8.300 nan 0.000 0.528 495 D N -0.015 120.497 120.400 0.187 0.000 2.144 495 D HA -0.218 4.422 4.640 0.000 0.000 0.199 495 D C 1.907 178.250 176.300 0.071 0.000 0.984 495 D CA 1.266 55.328 54.000 0.103 0.000 0.834 495 D CB -0.457 40.389 40.800 0.077 0.000 0.955 495 D HN 0.303 nan 8.370 nan 0.000 0.465 496 F N 0.907 120.829 119.950 -0.047 0.000 2.147 496 F HA 0.044 4.571 4.527 0.000 0.000 0.291 496 F C 2.141 177.865 175.800 -0.127 0.000 1.093 496 F CA 0.540 58.484 58.000 -0.093 0.000 1.263 496 F CB -0.381 38.546 39.000 -0.122 0.000 1.036 496 F HN -0.193 nan 8.300 nan 0.000 0.481 497 L N 0.566 121.649 121.223 -0.234 0.000 2.263 497 L HA -0.252 4.088 4.340 0.000 0.000 0.216 497 L C 2.515 179.156 176.870 -0.383 0.000 1.111 497 L CA 1.072 55.680 54.840 -0.386 0.000 0.773 497 L CB -0.755 41.099 42.059 -0.342 0.000 0.906 497 L HN 0.377 nan 8.230 nan 0.000 0.439 498 A N -1.023 121.644 122.820 -0.254 0.000 2.168 498 A HA -0.131 4.189 4.320 0.000 0.000 0.215 498 A C 2.355 179.808 177.584 -0.218 0.000 1.152 498 A CA 1.395 53.333 52.037 -0.165 0.000 0.716 498 A CB -0.352 18.617 19.000 -0.052 0.000 0.794 498 A HN 0.539 nan 8.150 nan 0.000 0.465 499 S N -1.067 114.410 115.700 -0.371 0.000 2.503 499 S HA 0.190 4.660 4.470 0.000 0.000 0.217 499 S C 1.255 175.660 174.600 -0.325 0.000 0.999 499 S CA 0.292 58.295 58.200 -0.330 0.000 0.914 499 S CB -0.313 62.657 63.200 -0.384 0.000 0.782 499 S HN 0.375 nan 8.310 nan 0.000 0.520 500 L N 1.973 122.944 121.223 -0.420 0.000 2.629 500 L HA 0.396 4.736 4.340 0.000 0.000 0.230 500 L C 0.401 177.153 176.870 -0.197 0.000 1.151 500 L CA -0.179 54.487 54.840 -0.289 0.000 0.924 500 L CB 0.828 42.684 42.059 -0.338 0.000 1.137 500 L HN 0.242 nan 8.230 nan 0.000 0.457 501 V N 0.891 120.691 119.914 -0.191 0.000 2.408 501 V HA 0.191 4.311 4.120 0.000 0.000 0.267 501 V C -0.370 175.664 176.094 -0.100 0.000 1.047 501 V CA -0.291 61.914 62.300 -0.158 0.000 0.937 501 V CB 1.220 32.950 31.823 -0.153 0.000 0.999 501 V HN 0.338 nan 8.190 nan 0.000 0.472 502 N N 8.322 126.969 118.700 -0.089 0.000 2.476 502 N HA 0.565 5.305 4.740 0.000 0.000 0.257 502 N C -1.594 173.875 175.510 -0.068 0.000 0.970 502 N CA -1.826 51.183 53.050 -0.068 0.000 0.938 502 N CB 2.227 40.681 38.487 -0.056 0.000 1.144 502 N HN 0.396 nan 8.380 nan 0.000 0.500 503 P HA -0.035 nan 4.420 nan 0.000 0.227 503 P C 0.143 177.384 177.300 -0.099 0.000 1.161 503 P CA 0.547 63.610 63.100 -0.061 0.000 0.788 503 P CB -0.132 31.549 31.700 -0.031 0.000 0.822 504 T N -1.670 112.781 114.554 -0.172 0.000 2.855 504 T HA 0.089 4.439 4.350 0.000 0.000 0.314 504 T C 1.504 176.153 174.700 -0.086 0.000 1.077 504 T CA 0.588 62.575 62.100 -0.187 0.000 1.095 504 T CB 0.194 68.923 68.868 -0.233 0.000 0.987 504 T HN 0.114 nan 8.240 nan 0.000 0.546 505 T N -0.550 113.967 114.554 -0.062 0.000 2.896 505 T HA 0.067 4.417 4.350 0.000 0.000 0.263 505 T C 2.409 177.096 174.700 -0.021 0.000 1.050 505 T CA 0.717 62.801 62.100 -0.026 0.000 1.140 505 T CB -0.956 67.905 68.868 -0.012 0.000 0.877 505 T HN 0.882 nan 8.240 nan 0.000 0.457 506 A N 3.736 126.539 122.820 -0.028 0.000 1.909 506 A HA -0.177 4.143 4.320 0.000 0.000 0.221 506 A C 1.260 178.838 177.584 -0.010 0.000 1.223 506 A CA 1.776 53.803 52.037 -0.016 0.000 0.658 506 A CB -0.679 18.309 19.000 -0.020 0.000 0.831 506 A HN 0.859 nan 8.150 nan 0.000 0.462 507 N N -1.633 117.057 118.700 -0.016 0.000 2.839 507 N HA 0.223 4.963 4.740 0.000 0.000 0.230 507 N C -3.549 171.952 175.510 -0.015 0.000 1.388 507 N CA -1.001 52.045 53.050 -0.007 0.000 0.747 507 N CB 0.793 39.282 38.487 0.002 0.000 1.411 507 N HN 0.206 nan 8.380 nan 0.000 0.556 508 P HA 0.170 nan 4.420 nan 0.000 0.271 508 P C -0.452 176.835 177.300 -0.022 0.000 1.216 508 P CA -0.190 62.898 63.100 -0.020 0.000 0.776 508 P CB 1.560 33.258 31.700 -0.004 0.000 0.881 509 V N 5.182 125.065 119.914 -0.051 0.000 2.509 509 V HA 0.143 4.263 4.120 0.000 0.000 0.289 509 V C 0.815 176.805 176.094 -0.174 0.000 1.026 509 V CA -0.597 61.654 62.300 -0.082 0.000 0.872 509 V CB 0.877 32.658 31.823 -0.071 0.000 1.017 509 V HN 0.557 nan 8.190 nan 0.000 0.436 510 L N 1.555 122.623 121.223 -0.259 0.000 4.089 510 L HA -0.143 4.197 4.340 0.000 0.000 0.408 510 L C 0.449 177.126 176.870 -0.321 0.000 1.184 510 L CA 0.289 54.739 54.840 -0.650 0.000 0.947 510 L CB -0.955 40.634 42.059 -0.783 0.000 2.066 510 L HN 0.744 nan 8.230 nan 0.000 0.851 511 D N 1.803 122.172 120.400 -0.052 0.000 2.472 511 D HA 0.136 4.776 4.640 0.000 0.000 0.237 511 D C 0.881 177.308 176.300 0.211 0.000 1.141 511 D CA 0.976 55.010 54.000 0.057 0.000 0.875 511 D CB 0.857 41.688 40.800 0.052 0.000 1.192 511 D HN 0.302 nan 8.370 nan 0.000 0.450 512 T N 0.980 115.643 114.554 0.181 0.000 2.720 512 T HA -0.056 4.294 4.350 0.000 0.000 0.255 512 T C 0.722 175.538 174.700 0.193 0.000 1.021 512 T CA 0.489 62.712 62.100 0.204 0.000 1.145 512 T CB -0.027 68.908 68.868 0.112 0.000 1.036 512 T HN 0.455 nan 8.240 nan 0.000 0.479 513 S N 0.373 116.163 115.700 0.149 0.000 3.361 513 S HA -0.164 4.306 4.470 0.000 0.000 0.288 513 S C 0.252 174.861 174.600 0.016 0.000 1.269 513 S CA 0.767 58.977 58.200 0.017 0.000 0.976 513 S CB -2.664 60.552 63.200 0.026 0.000 1.162 513 S HN 1.187 nan 8.310 nan 0.000 0.643 514 F N 2.535 122.517 119.950 0.054 0.000 2.518 514 F HA 0.595 5.122 4.527 0.000 0.000 0.359 514 F C 0.670 176.533 175.800 0.105 0.000 1.118 514 F CA -0.695 57.350 58.000 0.075 0.000 1.287 514 F CB 0.192 39.238 39.000 0.077 0.000 1.132 514 F HN 0.202 nan 8.300 nan 0.000 0.587 515 S N 5.286 121.054 115.700 0.113 0.000 2.580 515 S HA 0.481 4.951 4.470 0.000 0.000 0.274 515 S C -0.461 174.270 174.600 0.219 0.000 1.329 515 S CA -0.958 57.309 58.200 0.111 0.000 1.036 515 S CB 1.231 64.600 63.200 0.282 0.000 0.919 515 S HN 0.968 nan 8.310 nan 0.000 0.515 516 M N 2.301 121.953 119.600 0.086 0.000 2.393 516 M HA 0.648 5.128 4.480 0.000 0.000 0.299 516 M C -1.108 175.052 176.300 -0.233 0.000 1.103 516 M CA -0.671 54.678 55.300 0.082 0.000 0.910 516 M CB 1.952 34.601 32.600 0.082 0.000 1.659 516 M HN 0.941 nan 8.290 nan 0.000 0.445 517 A N 3.703 126.282 122.820 -0.403 0.000 2.312 517 A HA 0.707 5.027 4.320 0.000 0.000 0.328 517 A C -2.114 175.462 177.584 -0.013 0.000 1.158 517 A CA -0.385 51.261 52.037 -0.652 0.000 0.821 517 A CB 0.862 19.302 19.000 -0.933 0.000 1.170 517 A HN 0.882 nan 8.150 nan 0.000 0.490 518 Y N 1.572 121.811 120.300 -0.101 0.000 2.396 518 Y HA 0.556 5.106 4.550 0.000 0.000 0.332 518 Y C -1.178 174.810 175.900 0.148 0.000 1.034 518 Y CA -0.841 57.314 58.100 0.092 0.000 1.057 518 Y CB 1.781 40.254 38.460 0.022 0.000 1.220 518 Y HN 0.703 nan 8.280 nan 0.000 0.440 519 L N 4.161 125.424 121.223 0.066 0.000 2.349 519 L HA 1.040 5.380 4.340 0.000 0.000 0.278 519 L C -0.047 176.905 176.870 0.137 0.000 0.996 519 L CA -1.012 53.941 54.840 0.189 0.000 0.825 519 L CB 1.586 43.745 42.059 0.167 0.000 1.243 519 L HN 0.864 nan 8.230 nan 0.000 0.412 520 G N 1.865 110.825 108.800 0.266 0.000 3.444 520 G HA2 0.456 4.416 3.960 0.000 0.000 0.685 520 G HA3 0.456 4.416 3.960 0.000 0.000 0.685 520 G C -0.851 174.252 174.900 0.338 0.000 1.145 520 G CA -0.323 44.927 45.100 0.249 0.000 0.973 520 G HN 1.256 nan 8.290 nan 0.000 0.525 521 A N 1.218 124.182 122.820 0.240 0.000 2.594 521 A HA 1.018 5.338 4.320 0.000 0.000 0.295 521 A C 0.002 177.659 177.584 0.123 0.000 1.071 521 A CA 0.477 52.626 52.037 0.187 0.000 0.685 521 A CB 1.667 20.761 19.000 0.156 0.000 1.285 521 A HN 2.188 nan 8.150 nan 0.000 0.405 530 E N 2.238 122.461 120.200 0.037 0.000 2.383 530 E HA 0.479 4.829 4.350 0.000 0.000 0.264 530 E C -2.376 174.168 176.600 -0.093 0.000 1.050 530 E CA -1.411 54.973 56.400 -0.026 0.000 0.896 530 E CB 0.210 29.828 29.700 -0.136 0.000 0.982 530 E HN -0.037 nan 8.360 nan 0.000 0.424 531 P HA -0.140 nan 4.420 nan 0.000 0.263 531 P C 0.564 177.750 177.300 -0.190 0.000 1.168 531 P CA 0.042 63.054 63.100 -0.147 0.000 0.759 531 P CB 0.565 32.109 31.700 -0.261 0.000 0.782 532 V N 4.194 124.028 119.914 -0.133 0.000 2.720 532 V HA -0.205 3.915 4.120 0.000 0.000 0.256 532 V C 2.007 177.987 176.094 -0.190 0.000 1.082 532 V CA 1.446 63.663 62.300 -0.139 0.000 1.101 532 V CB -0.997 30.767 31.823 -0.098 0.000 0.693 532 V HN 0.653 nan 8.190 nan 0.000 0.479 533 I N -0.615 119.811 120.570 -0.239 0.000 2.394 533 I HA -0.188 3.982 4.170 0.000 0.000 0.251 533 I C 2.210 178.102 176.117 -0.375 0.000 1.136 533 I CA 1.248 62.352 61.300 -0.326 0.000 1.425 533 I CB 0.066 37.811 38.000 -0.425 0.000 1.079 533 I HN 0.243 nan 8.210 nan 0.000 0.425 534 L N 0.926 121.907 121.223 -0.403 0.000 2.043 534 L HA -0.249 4.091 4.340 0.000 0.000 0.212 534 L C 2.885 179.589 176.870 -0.276 0.000 1.075 534 L CA 1.535 56.141 54.840 -0.389 0.000 0.752 534 L CB -0.946 40.856 42.059 -0.429 0.000 0.891 534 L HN 0.342 nan 8.230 nan 0.000 0.432 535 A N -0.126 122.555 122.820 -0.233 0.000 1.917 535 A HA -0.293 4.027 4.320 0.000 0.000 0.219 535 A C 1.893 179.380 177.584 -0.163 0.000 1.182 535 A CA 2.385 54.315 52.037 -0.179 0.000 0.633 535 A CB -0.662 18.248 19.000 -0.149 0.000 0.819 535 A HN 0.374 nan 8.150 nan 0.000 0.448 536 D N -0.394 119.900 120.400 -0.176 0.000 2.117 536 D HA -0.103 4.537 4.640 0.000 0.000 0.198 536 D C 1.862 178.077 176.300 -0.141 0.000 0.982 536 D CA 1.068 54.977 54.000 -0.152 0.000 0.828 536 D CB -0.122 40.579 40.800 -0.165 0.000 0.967 536 D HN 0.357 nan 8.370 nan 0.000 0.464 537 I N 0.478 120.939 120.570 -0.180 0.000 2.226 537 I HA -0.177 3.993 4.170 0.000 0.000 0.245 537 I C 2.054 178.117 176.117 -0.089 0.000 1.100 537 I CA 1.212 62.445 61.300 -0.111 0.000 1.374 537 I CB -0.985 36.943 38.000 -0.121 0.000 1.057 537 I HN 0.066 nan 8.210 nan 0.000 0.413 538 R N 0.358 120.782 120.500 -0.128 0.000 2.235 538 R HA 0.007 4.347 4.340 0.000 0.000 0.213 538 R C 2.187 178.427 176.300 -0.100 0.000 1.059 538 R CA 0.943 56.971 56.100 -0.121 0.000 0.997 538 R CB -0.150 30.066 30.300 -0.139 0.000 0.884 538 R HN 0.287 nan 8.270 nan 0.000 0.462 539 S N -0.595 115.047 115.700 -0.097 0.000 2.501 539 S HA 0.083 4.553 4.470 0.000 0.000 0.220 539 S C 1.351 175.906 174.600 -0.073 0.000 0.997 539 S CA 0.664 58.811 58.200 -0.088 0.000 0.919 539 S CB 0.765 63.913 63.200 -0.086 0.000 0.778 539 S HN 0.623 nan 8.310 nan 0.000 0.523 540 G N 1.481 110.250 108.800 -0.052 0.000 2.155 540 G HA2 -0.341 3.619 3.960 0.000 0.000 0.257 540 G HA3 -0.341 3.619 3.960 0.000 0.000 0.257 540 G C 1.052 175.942 174.900 -0.017 0.000 0.983 540 G CA 0.858 45.946 45.100 -0.020 0.000 0.676 540 G HN 0.501 nan 8.290 nan 0.000 0.528 541 S N -0.548 115.130 115.700 -0.037 0.000 2.365 541 S HA -0.013 4.457 4.470 0.000 0.000 0.225 541 S C 1.509 176.101 174.600 -0.014 0.000 1.039 541 S CA 1.166 59.346 58.200 -0.034 0.000 1.033 541 S CB -0.233 62.933 63.200 -0.056 0.000 0.887 541 S HN 0.614 nan 8.310 nan 0.000 0.447 542 I N 4.317 124.882 120.570 -0.009 0.000 2.471 542 I HA 0.120 4.290 4.170 0.000 0.000 0.294 542 I C -2.074 174.068 176.117 0.042 0.000 1.123 542 I CA -1.669 59.642 61.300 0.018 0.000 1.336 542 I CB 0.398 38.422 38.000 0.040 0.000 1.430 542 I HN 0.261 nan 8.210 nan 0.000 0.533 543 P HA 0.004 nan 4.420 nan 0.000 0.263 543 P C 0.803 178.132 177.300 0.049 0.000 1.195 543 P CA 0.744 63.872 63.100 0.046 0.000 0.762 543 P CB 1.093 32.818 31.700 0.041 0.000 0.799 544 G N 2.195 111.028 108.800 0.054 0.000 2.313 544 G HA2 -0.221 3.739 3.960 0.000 0.000 0.215 544 G HA3 -0.221 3.739 3.960 0.000 0.000 0.215 544 G C -0.467 174.457 174.900 0.039 0.000 1.023 544 G CA -0.102 45.023 45.100 0.041 0.000 0.626 544 G HN 0.615 nan 8.290 nan 0.000 0.503 545 L N 4.269 125.530 121.223 0.064 0.000 2.275 545 L HA 0.687 5.027 4.340 0.000 0.000 0.288 545 L C -1.607 175.347 176.870 0.140 0.000 1.046 545 L CA -2.316 52.581 54.840 0.095 0.000 0.805 545 L CB 0.797 42.949 42.059 0.155 0.000 1.193 545 L HN 0.114 nan 8.230 nan 0.000 0.426 546 P HA 0.141 nan 4.420 nan 0.000 0.274 546 P C -0.443 177.000 177.300 0.240 0.000 1.237 546 P CA -0.266 62.948 63.100 0.191 0.000 0.793 546 P CB 0.820 32.639 31.700 0.198 0.000 0.977 547 I N 3.387 124.025 120.570 0.112 0.000 2.436 547 I HA 0.099 4.269 4.170 0.000 0.000 0.289 547 I C -1.535 174.542 176.117 -0.066 0.000 1.083 547 I CA -1.893 59.419 61.300 0.021 0.000 1.372 547 I CB 0.339 38.324 38.000 -0.026 0.000 1.408 547 I HN 0.191 nan 8.210 nan 0.000 0.516 548 P HA 0.037 nan 4.420 nan 0.000 0.271 548 P C 0.191 177.298 177.300 -0.321 0.000 1.218 548 P CA -0.388 62.325 63.100 -0.645 0.000 0.780 548 P CB 1.097 32.185 31.700 -1.020 0.000 0.901 549 R N 4.288 124.636 120.500 -0.253 0.000 2.082 549 R HA -0.134 4.206 4.340 0.000 0.000 0.234 549 R C 0.915 177.142 176.300 -0.121 0.000 1.136 549 R CA 1.789 57.813 56.100 -0.128 0.000 0.935 549 R CB -0.291 29.968 30.300 -0.068 0.000 0.842 549 R HN 0.692 nan 8.270 nan 0.000 0.430 550 R N -0.876 119.551 120.500 -0.123 0.000 2.668 550 R HA 0.463 4.803 4.340 0.000 0.000 0.272 550 R C -1.163 175.074 176.300 -0.106 0.000 1.019 550 R CA -0.767 55.276 56.100 -0.094 0.000 0.894 550 R CB 1.073 31.352 30.300 -0.035 0.000 1.228 550 R HN 0.087 nan 8.270 nan 0.000 0.460 551 I N 2.501 122.994 120.570 -0.128 0.000 2.362 551 I HA 0.303 4.473 4.170 0.000 0.000 0.289 551 I C -0.642 175.367 176.117 -0.181 0.000 0.994 551 I CA -1.309 59.898 61.300 -0.154 0.000 1.158 551 I CB 2.272 40.162 38.000 -0.183 0.000 1.315 551 I HN 0.344 nan 8.210 nan 0.000 0.451 552 V N 6.803 126.564 119.914 -0.254 0.000 2.328 552 V HA 0.266 4.386 4.120 0.000 0.000 0.278 552 V C 0.093 175.793 176.094 -0.658 0.000 1.021 552 V CA -0.612 61.449 62.300 -0.398 0.000 0.838 552 V CB 1.101 32.744 31.823 -0.300 0.000 0.999 552 V HN 0.711 nan 8.190 nan 0.000 0.447 553 Q N 3.149 122.635 119.800 -0.524 0.000 2.306 553 Q HA 0.644 4.984 4.340 0.000 0.000 0.241 553 Q C -1.161 174.448 176.000 -0.652 0.000 0.948 553 Q CA -0.030 55.543 55.803 -0.384 0.000 0.886 553 Q CB 1.552 30.216 28.738 -0.123 0.000 1.227 553 Q HN 0.622 nan 8.270 nan 0.000 0.457 554 F N -1.180 118.841 119.950 0.118 0.000 3.305 554 F HA 0.710 5.237 4.527 0.000 0.000 0.330 554 F C 0.555 176.424 175.800 0.115 0.000 1.233 554 F CA 0.218 58.270 58.000 0.087 0.000 0.962 554 F CB 0.640 39.676 39.000 0.060 0.000 1.540 554 F HN 0.726 nan 8.300 nan 0.000 0.524 555 G N -0.551 108.456 108.800 0.344 0.000 2.466 555 G HA2 -0.198 3.762 3.960 0.000 0.000 0.316 555 G HA3 -0.198 3.762 3.960 0.000 0.000 0.316 555 G C -0.653 174.373 174.900 0.210 0.000 1.270 555 G CA -0.227 45.053 45.100 0.300 0.000 0.982 555 G HN 0.616 nan 8.290 nan 0.000 0.506 556 Y N 0.844 121.197 120.300 0.089 0.000 2.510 556 Y HA 0.227 4.777 4.550 0.000 0.000 0.273 556 Y C 1.428 177.364 175.900 0.060 0.000 1.119 556 Y CA 0.893 59.032 58.100 0.065 0.000 1.286 556 Y CB 0.656 39.145 38.460 0.048 0.000 1.061 556 Y HN 0.434 nan 8.280 nan 0.000 0.542 557 D N -1.086 119.438 120.400 0.207 0.000 2.865 557 D HA 0.037 4.677 4.640 0.000 0.000 0.347 557 D C 1.235 177.599 176.300 0.106 0.000 1.498 557 D CA 0.137 54.213 54.000 0.126 0.000 0.787 557 D CB -0.186 40.682 40.800 0.112 0.000 1.190 557 D HN 0.151 nan 8.370 nan 0.000 0.445 558 V N 0.721 120.707 119.914 0.119 0.000 2.278 558 V HA -0.354 3.766 4.120 0.000 0.000 0.251 558 V C 1.595 177.727 176.094 0.064 0.000 1.062 558 V CA 2.630 64.999 62.300 0.114 0.000 1.038 558 V CB -0.184 31.709 31.823 0.118 0.000 0.646 558 V HN 0.300 nan 8.190 nan 0.000 0.447 559 V N -1.665 118.243 119.914 -0.010 0.000 2.199 559 V HA -0.350 3.770 4.120 0.000 0.000 0.113 559 V C 1.004 176.866 176.094 -0.387 0.000 0.603 559 V CA 2.216 64.420 62.300 -0.161 0.000 1.413 559 V CB -2.591 29.131 31.823 -0.168 0.000 1.568 559 V HN 0.900 nan 8.190 nan 0.000 0.958 560 H N -1.799 117.259 119.070 -0.021 0.000 3.876 560 H HA 0.533 5.089 4.556 0.000 0.000 0.262 560 H C 0.763 176.056 175.328 -0.059 0.000 1.158 560 H CA 0.594 56.615 56.048 -0.045 0.000 1.170 560 H CB 1.448 31.167 29.762 -0.071 0.000 1.528 560 H HN 0.622 nan 8.280 nan 0.000 0.689 561 G N -0.098 108.728 108.800 0.044 0.000 2.798 561 G HA2 0.425 4.385 3.960 0.000 0.000 0.286 561 G HA3 0.425 4.385 3.960 0.000 0.000 0.286 561 G C -0.603 174.349 174.900 0.087 0.000 1.389 561 G CA -0.487 44.610 45.100 -0.006 0.000 0.894 561 G HN 0.184 nan 8.290 nan 0.000 0.488 562 S N -0.994 114.820 115.700 0.190 0.000 2.584 562 S HA 0.432 4.902 4.470 0.000 0.000 0.270 562 S C -0.340 174.402 174.600 0.237 0.000 1.346 562 S CA -0.335 57.989 58.200 0.207 0.000 1.018 562 S CB 0.974 64.314 63.200 0.235 0.000 0.899 562 S HN 0.385 nan 8.310 nan 0.000 0.542 563 L N 1.908 123.189 121.223 0.097 0.000 2.255 563 L HA 0.476 4.816 4.340 0.000 0.000 0.289 563 L C -0.108 176.713 176.870 -0.082 0.000 1.046 563 L CA 0.192 55.038 54.840 0.011 0.000 0.816 563 L CB 0.150 42.169 42.059 -0.067 0.000 1.197 563 L HN 0.621 nan 8.230 nan 0.000 0.427 564 L N 2.261 123.427 121.223 -0.095 0.000 2.322 564 L HA 0.600 4.940 4.340 0.000 0.000 0.269 564 L C -0.665 176.059 176.870 -0.245 0.000 1.012 564 L CA -0.844 53.888 54.840 -0.181 0.000 0.815 564 L CB 1.754 43.659 42.059 -0.257 0.000 1.295 564 L HN 0.396 nan 8.230 nan 0.000 0.438 565 D N 1.518 121.811 120.400 -0.178 0.000 2.446 565 D HA 0.229 4.869 4.640 0.000 0.000 0.251 565 D C 0.940 177.253 176.300 0.021 0.000 1.137 565 D CA -0.424 53.541 54.000 -0.059 0.000 0.890 565 D CB 1.463 42.232 40.800 -0.051 0.000 1.071 565 D HN 0.289 nan 8.370 nan 0.000 0.528 566 L N 1.093 122.354 121.223 0.064 0.000 2.450 566 L HA -0.188 4.152 4.340 0.000 0.000 0.225 566 L C 2.167 179.051 176.870 0.025 0.000 1.145 566 L CA 1.293 56.147 54.840 0.023 0.000 0.801 566 L CB -0.883 41.193 42.059 0.029 0.000 0.924 566 L HN 0.344 nan 8.230 nan 0.000 0.447 567 S N -0.421 115.312 115.700 0.054 0.000 2.338 567 S HA -0.121 4.349 4.470 0.000 0.000 0.218 567 S C 1.491 176.106 174.600 0.025 0.000 1.032 567 S CA 0.317 58.544 58.200 0.045 0.000 0.999 567 S CB 0.028 63.265 63.200 0.061 0.000 0.905 567 S HN 0.384 nan 8.310 nan 0.000 0.439 568 R N 1.145 121.654 120.500 0.015 0.000 2.542 568 R HA 0.697 5.037 4.340 0.000 0.000 0.227 568 R C 0.466 176.756 176.300 -0.017 0.000 1.257 568 R CA -0.184 55.916 56.100 0.001 0.000 1.053 568 R CB -0.076 30.222 30.300 -0.003 0.000 1.463 568 R HN 0.455 nan 8.270 nan 0.000 0.550 569 A N 0.630 123.437 122.820 -0.023 0.000 2.366 569 A HA 0.390 4.710 4.320 0.000 0.000 0.249 569 A C -0.312 177.236 177.584 -0.060 0.000 1.084 569 A CA -0.340 51.675 52.037 -0.035 0.000 0.794 569 A CB 0.549 19.533 19.000 -0.027 0.000 1.034 569 A HN 0.288 nan 8.150 nan 0.000 0.491 570 V N 2.102 121.970 119.914 -0.076 0.000 2.628 570 V HA 0.414 4.534 4.120 0.000 0.000 0.306 570 V C -1.850 174.190 176.094 -0.090 0.000 1.045 570 V CA -0.754 61.476 62.300 -0.118 0.000 0.905 570 V CB 1.687 33.408 31.823 -0.170 0.000 0.997 570 V HN 0.892 nan 8.190 nan 0.000 0.436 571 P HA 0.182 nan 4.420 nan 0.000 0.254 571 P C 0.176 177.461 177.300 -0.026 0.000 1.494 571 P CA 0.015 63.087 63.100 -0.047 0.000 0.961 571 P CB -0.004 31.678 31.700 -0.030 0.000 1.493 572 T N -3.887 110.644 114.554 -0.037 0.000 2.937 572 T HA 0.685 5.035 4.350 0.000 0.000 0.283 572 T C 0.643 175.330 174.700 -0.023 0.000 1.012 572 T CA -0.713 61.410 62.100 0.037 0.000 0.997 572 T CB 1.544 70.521 68.868 0.182 0.000 1.136 572 T HN -0.032 nan 8.240 nan 0.000 0.551 573 G N 0.321 109.069 108.800 -0.087 0.000 2.588 573 G HA2 0.516 4.476 3.960 0.000 0.000 0.281 573 G HA3 0.516 4.476 3.960 0.000 0.000 0.281 573 G C 0.302 174.867 174.900 -0.558 0.000 1.236 573 G CA -0.375 44.574 45.100 -0.253 0.000 0.969 573 G HN 1.093 nan 8.290 nan 0.000 0.504 574 T N -2.484 111.776 114.554 -0.490 0.000 2.788 574 T HA 0.618 4.968 4.350 0.000 0.000 0.287 574 T C -0.686 173.523 174.700 -0.817 0.000 1.007 574 T CA -0.148 61.669 62.100 -0.470 0.000 1.005 574 T CB 0.813 69.578 68.868 -0.173 0.000 1.012 574 T HN 0.269 nan 8.240 nan 0.000 0.530 575 F N -1.757 118.258 119.950 0.109 0.000 2.619 575 F HA 0.599 5.126 4.527 0.000 0.000 0.308 575 F C 1.311 177.209 175.800 0.163 0.000 1.097 575 F CA -1.166 56.922 58.000 0.146 0.000 0.953 575 F CB 1.326 40.435 39.000 0.183 0.000 1.287 575 F HN 0.729 nan 8.300 nan 0.000 0.446 576 G N 0.992 110.035 108.800 0.406 0.000 2.421 576 G HA2 -0.098 3.862 3.960 0.000 0.000 0.216 576 G HA3 -0.098 3.862 3.960 0.000 0.000 0.216 576 G C 0.058 175.133 174.900 0.293 0.000 1.171 576 G CA 0.516 45.809 45.100 0.321 0.000 0.775 576 G HN 0.520 nan 8.290 nan 0.000 0.543 577 L N 0.706 122.186 121.223 0.428 0.000 2.325 577 L HA 0.624 4.964 4.340 0.000 0.000 0.281 577 L C -0.983 176.083 176.870 0.326 0.000 1.004 577 L CA -0.718 54.317 54.840 0.325 0.000 0.823 577 L CB 2.276 44.570 42.059 0.393 0.000 1.236 577 L HN -0.104 nan 8.230 nan 0.000 0.415 578 V N 5.474 125.543 119.914 0.258 0.000 2.435 578 V HA 0.079 4.199 4.120 0.000 0.000 0.263 578 V C -0.414 175.787 176.094 0.179 0.000 1.087 578 V CA -0.492 61.938 62.300 0.216 0.000 1.253 578 V CB 0.006 31.966 31.823 0.228 0.000 1.462 578 V HN 0.650 nan 8.190 nan 0.000 0.547 579 Y N 2.836 123.193 120.300 0.095 0.000 2.802 579 Y HA 0.318 4.868 4.550 0.000 0.000 0.351 579 Y C 0.687 176.555 175.900 -0.052 0.000 1.237 579 Y CA 0.100 58.233 58.100 0.055 0.000 1.599 579 Y CB 0.177 38.728 38.460 0.152 0.000 1.214 579 Y HN 0.537 nan 8.280 nan 0.000 0.520 580 A N 5.100 127.688 122.820 -0.388 0.000 2.288 580 A HA 0.368 4.688 4.320 0.000 0.000 0.320 580 A C -0.110 177.170 177.584 -0.506 0.000 1.217 580 A CA -0.462 51.386 52.037 -0.315 0.000 0.840 580 A CB 0.669 19.570 19.000 -0.165 0.000 1.179 580 A HN 0.805 nan 8.150 nan 0.000 0.504 581 D N 1.846 122.048 120.400 -0.330 0.000 2.563 581 D HA 0.221 4.861 4.640 0.000 0.000 0.237 581 D C -0.045 176.163 176.300 -0.152 0.000 1.282 581 D CA -0.052 53.799 54.000 -0.249 0.000 0.816 581 D CB -0.046 40.769 40.800 0.025 0.000 1.066 581 D HN 0.537 nan 8.370 nan 0.000 0.501 582 L N 0.910 122.055 121.223 -0.130 0.000 2.483 582 L HA 0.187 4.527 4.340 0.000 0.000 0.275 582 L C 0.381 177.164 176.870 -0.146 0.000 1.220 582 L CA -0.020 54.762 54.840 -0.096 0.000 0.833 582 L CB 0.438 42.469 42.059 -0.045 0.000 1.102 582 L HN 0.008 nan 8.230 nan 0.000 0.490 583 D N 0.638 120.957 120.400 -0.135 0.000 2.253 583 D HA 0.134 4.774 4.640 0.000 0.000 0.249 583 D C 0.583 176.815 176.300 -0.114 0.000 1.049 583 D CA -0.436 53.481 54.000 -0.139 0.000 0.929 583 D CB 1.199 41.935 40.800 -0.106 0.000 1.176 583 D HN 0.360 nan 8.370 nan 0.000 0.437 584 Q N -0.022 119.721 119.800 -0.095 0.000 2.376 584 Q HA 0.183 4.523 4.340 0.000 0.000 0.206 584 Q C 0.265 176.308 176.000 0.071 0.000 0.921 584 Q CA 0.342 56.139 55.803 -0.011 0.000 0.911 584 Q CB 0.663 29.412 28.738 0.018 0.000 1.032 584 Q HN 0.223 nan 8.270 nan 0.000 0.510 592 M N 0.569 120.008 119.600 -0.268 0.000 1.793 592 M HA 0.258 4.738 4.480 0.000 0.000 0.222 592 M C -1.948 174.274 176.300 -0.129 0.000 1.202 592 M CA 0.865 55.985 55.300 -0.300 0.000 0.959 592 M CB 0.023 32.360 32.600 -0.439 0.000 1.726 592 M HN -0.120 nan 8.290 nan 0.000 0.618 593 P HA 0.133 nan 4.420 nan 0.000 0.217 593 P C 0.937 178.227 177.300 -0.016 0.000 1.154 593 P CA 1.987 65.063 63.100 -0.041 0.000 0.841 593 P CB -0.065 31.610 31.700 -0.042 0.000 0.788 594 A N 0.211 123.016 122.820 -0.025 0.000 2.067 594 A HA 0.192 4.512 4.320 0.000 0.000 0.217 594 A C 2.391 179.981 177.584 0.010 0.000 1.156 594 A CA 1.354 53.387 52.037 -0.005 0.000 0.683 594 A CB -1.240 17.753 19.000 -0.011 0.000 0.808 594 A HN 0.227 nan 8.150 nan 0.000 0.455 595 A N 0.215 123.036 122.820 0.002 0.000 1.968 595 A HA -0.117 4.203 4.320 0.000 0.000 0.217 595 A C 1.845 179.473 177.584 0.073 0.000 1.169 595 A CA 1.488 53.549 52.037 0.040 0.000 0.638 595 A CB -0.605 18.416 19.000 0.035 0.000 0.812 595 A HN 0.667 nan 8.150 nan 0.000 0.446 596 N N -1.064 117.676 118.700 0.067 0.000 2.171 596 N HA -0.146 4.594 4.740 0.000 0.000 0.184 596 N C 2.004 177.586 175.510 0.119 0.000 1.021 596 N CA 1.034 54.156 53.050 0.119 0.000 0.854 596 N CB -0.080 38.473 38.487 0.110 0.000 0.994 596 N HN 0.344 nan 8.380 nan 0.000 0.426 597 R N 1.460 122.000 120.500 0.067 0.000 2.081 597 R HA -0.004 4.336 4.340 0.000 0.000 0.235 597 R C 1.894 178.231 176.300 0.061 0.000 1.131 597 R CA 1.582 57.713 56.100 0.052 0.000 0.960 597 R CB -0.768 29.550 30.300 0.029 0.000 0.856 597 R HN 0.198 nan 8.270 nan 0.000 0.436 598 A N 0.201 123.055 122.820 0.057 0.000 1.865 598 A HA -0.127 4.193 4.320 0.000 0.000 0.217 598 A C 2.399 180.019 177.584 0.060 0.000 1.191 598 A CA 2.185 54.253 52.037 0.051 0.000 0.623 598 A CB -1.272 17.752 19.000 0.041 0.000 0.826 598 A HN 0.501 nan 8.150 nan 0.000 0.444 599 A N -0.189 122.680 122.820 0.081 0.000 1.858 599 A HA -0.048 4.272 4.320 0.000 0.000 0.216 599 A C 2.022 179.714 177.584 0.180 0.000 1.190 599 A CA 1.601 53.700 52.037 0.103 0.000 0.617 599 A CB -0.587 18.460 19.000 0.078 0.000 0.827 599 A HN 0.400 nan 8.150 nan 0.000 0.443 600 I N 0.169 120.868 120.570 0.215 0.000 2.248 600 I HA -0.306 3.864 4.170 0.000 0.000 0.248 600 I C 2.854 179.060 176.117 0.148 0.000 1.107 600 I CA 1.590 62.972 61.300 0.136 0.000 1.373 600 I CB -1.545 36.469 38.000 0.023 0.000 1.055 600 I HN 0.398 nan 8.210 nan 0.000 0.418 601 A N 0.504 123.384 122.820 0.099 0.000 1.855 601 A HA -0.180 4.140 4.320 0.000 0.000 0.215 601 A C 2.394 180.000 177.584 0.037 0.000 1.191 601 A CA 1.379 53.461 52.037 0.076 0.000 0.613 601 A CB -0.526 18.506 19.000 0.053 0.000 0.829 601 A HN 0.306 nan 8.150 nan 0.000 0.442 602 M N -0.722 118.894 119.600 0.027 0.000 2.073 602 M HA -0.181 4.299 4.480 0.000 0.000 0.258 602 M C 2.335 178.603 176.300 -0.052 0.000 1.070 602 M CA 1.963 57.260 55.300 -0.005 0.000 1.103 602 M CB -0.593 32.005 32.600 -0.004 0.000 1.321 602 M HN 0.525 nan 8.290 nan 0.000 0.405 603 L N 0.197 121.385 121.223 -0.058 0.000 2.131 603 L HA -0.120 4.220 4.340 0.000 0.000 0.210 603 L C 2.351 178.975 176.870 -0.410 0.000 1.092 603 L CA 1.522 56.263 54.840 -0.166 0.000 0.759 603 L CB -0.688 41.317 42.059 -0.090 0.000 0.903 603 L HN 0.352 nan 8.230 nan 0.000 0.435 604 G N -1.219 107.373 108.800 -0.346 0.000 2.422 604 G HA2 -0.334 3.626 3.960 0.000 0.000 0.218 604 G HA3 -0.334 3.626 3.960 0.000 0.000 0.218 604 G C 1.578 176.361 174.900 -0.193 0.000 1.146 604 G CA 1.231 46.115 45.100 -0.360 0.000 0.769 604 G HN 0.515 nan 8.290 nan 0.000 0.547 605 T N -1.878 112.607 114.554 -0.115 0.000 3.035 605 T HA 0.433 4.783 4.350 0.000 0.000 0.259 605 T C 2.469 177.119 174.700 -0.084 0.000 1.078 605 T CA 1.353 63.405 62.100 -0.080 0.000 1.132 605 T CB -0.018 68.820 68.868 -0.051 0.000 0.900 605 T HN 0.263 nan 8.240 nan 0.000 0.480 606 A N 1.126 123.886 122.820 -0.100 0.000 1.968 606 A HA 0.394 4.714 4.320 0.000 0.000 0.217 606 A C 2.104 179.640 177.584 -0.080 0.000 1.169 606 A CA 0.623 52.626 52.037 -0.057 0.000 0.638 606 A CB -0.688 18.281 19.000 -0.052 0.000 0.812 606 A HN 0.541 nan 8.150 nan 0.000 0.446 607 L N -1.028 120.069 121.223 -0.209 0.000 2.645 607 L HA 0.073 4.413 4.340 0.000 0.000 0.234 607 L C 1.839 178.574 176.870 -0.224 0.000 1.165 607 L CA 0.372 55.044 54.840 -0.279 0.000 0.944 607 L CB 0.083 41.804 42.059 -0.564 0.000 1.149 607 L HN 0.417 nan 8.230 nan 0.000 0.446 608 Q N -1.201 118.512 119.800 -0.146 0.000 2.477 608 Q HA 0.133 4.473 4.340 0.000 0.000 0.252 608 Q C 1.863 177.830 176.000 -0.056 0.000 0.869 608 Q CA 0.602 56.330 55.803 -0.125 0.000 0.969 608 Q CB 0.318 28.997 28.738 -0.098 0.000 1.144 608 Q HN 0.369 nan 8.270 nan 0.000 0.577 609 M N 1.033 120.639 119.600 0.009 0.000 2.557 609 M HA 0.029 4.509 4.480 0.000 0.000 0.259 609 M C 0.316 176.709 176.300 0.156 0.000 1.086 609 M CA 0.734 56.098 55.300 0.108 0.000 1.096 609 M CB -0.321 32.428 32.600 0.248 0.000 1.424 609 M HN 0.084 nan 8.290 nan 0.000 0.488 610 T N -0.533 114.084 114.554 0.106 0.000 2.884 610 T HA 0.171 4.521 4.350 0.000 0.000 0.298 610 T C 0.357 175.089 174.700 0.053 0.000 0.998 610 T CA -0.638 61.537 62.100 0.125 0.000 1.124 610 T CB 0.768 69.693 68.868 0.095 0.000 0.931 610 T HN 0.031 nan 8.240 nan 0.000 0.531 611 T N 2.896 117.493 114.554 0.071 0.000 2.906 611 T HA 0.366 4.716 4.350 0.000 0.000 0.320 611 T C 0.929 175.644 174.700 0.025 0.000 1.088 611 T CA -0.046 62.070 62.100 0.026 0.000 1.120 611 T CB 0.064 68.963 68.868 0.052 0.000 1.000 611 T HN 0.993 nan 8.240 nan 0.000 0.550 612 A N 1.968 124.791 122.820 0.004 0.000 2.526 612 A HA 0.473 4.793 4.320 0.000 0.000 0.267 612 A C 1.470 179.069 177.584 0.024 0.000 1.095 612 A CA 0.215 52.255 52.037 0.005 0.000 0.775 612 A CB -1.158 17.840 19.000 -0.003 0.000 1.036 612 A HN 1.650 nan 8.150 nan 0.000 0.510 613 G N 1.873 110.694 108.800 0.035 0.000 2.140 613 G HA2 0.106 4.066 3.960 0.000 0.000 0.211 613 G HA3 0.106 4.066 3.960 0.000 0.000 0.211 613 G C 0.629 175.559 174.900 0.050 0.000 1.013 613 G CA 0.318 45.444 45.100 0.043 0.000 0.705 613 G HN 1.698 nan 8.290 nan 0.000 0.508 614 G N -1.622 107.217 108.800 0.065 0.000 2.641 614 G HA2 0.740 4.700 3.960 0.000 0.000 0.239 614 G HA3 0.740 4.700 3.960 0.000 0.000 0.239 614 G C -0.475 174.478 174.900 0.090 0.000 1.402 614 G CA -0.065 45.084 45.100 0.081 0.000 1.046 614 G HN 1.071 nan 8.290 nan 0.000 0.565 615 V N 1.137 121.114 119.914 0.105 0.000 2.501 615 V HA 0.323 4.443 4.120 0.000 0.000 0.277 615 V C -0.131 176.057 176.094 0.157 0.000 1.004 615 V CA -0.888 61.482 62.300 0.116 0.000 0.862 615 V CB 0.828 32.668 31.823 0.029 0.000 1.035 615 V HN 0.860 nan 8.190 nan 0.000 0.448 616 S N 3.165 118.993 115.700 0.214 0.000 2.523 616 S HA 0.625 5.095 4.470 0.000 0.000 0.275 616 S C -0.185 174.559 174.600 0.241 0.000 1.281 616 S CA -0.637 57.691 58.200 0.212 0.000 1.050 616 S CB 1.735 65.037 63.200 0.170 0.000 0.937 616 S HN 0.435 nan 8.310 nan 0.000 0.492 617 V N 4.585 124.573 119.914 0.123 0.000 2.320 617 V HA 0.243 4.363 4.120 0.000 0.000 0.257 617 V C 0.114 176.145 176.094 -0.105 0.000 0.996 617 V CA -0.704 61.621 62.300 0.042 0.000 0.928 617 V CB 0.411 32.255 31.823 0.037 0.000 1.169 617 V HN 0.858 nan 8.190 nan 0.000 0.475 618 L N 2.611 123.822 121.223 -0.020 0.000 2.476 618 L HA 0.460 4.800 4.340 0.000 0.000 0.255 618 L C 0.324 177.030 176.870 -0.274 0.000 1.218 618 L CA 0.385 55.150 54.840 -0.126 0.000 0.819 618 L CB 1.226 43.283 42.059 -0.005 0.000 1.119 618 L HN 0.603 nan 8.230 nan 0.000 0.485 619 K N 2.556 122.707 120.400 -0.415 0.000 2.616 619 K HA 0.386 4.706 4.320 0.000 0.000 0.241 619 K C -1.577 174.720 176.600 -0.505 0.000 0.961 619 K CA -0.585 55.282 56.287 -0.700 0.000 0.942 619 K CB 1.317 33.156 32.500 -1.103 0.000 1.153 619 K HN 0.402 nan 8.250 nan 0.000 0.452 620 V N 3.924 123.566 119.914 -0.454 0.000 2.686 620 V HA 0.038 4.158 4.120 0.000 0.000 0.295 620 V C 1.046 176.841 176.094 -0.498 0.000 1.055 620 V CA -0.253 61.753 62.300 -0.490 0.000 1.050 620 V CB 1.269 32.662 31.823 -0.717 0.000 0.984 620 V HN 0.822 nan 8.190 nan 0.000 0.482 621 N N 1.820 120.205 118.700 -0.524 0.000 2.387 621 N HA 0.178 4.918 4.740 0.000 0.000 0.176 621 N C -0.248 174.657 175.510 -1.009 0.000 1.022 621 N CA 0.738 53.330 53.050 -0.764 0.000 0.883 621 N CB 0.230 38.200 38.487 -0.862 0.000 1.019 621 N HN 0.615 nan 8.380 nan 0.000 0.435 622 F N 0.688 120.540 119.950 -0.162 0.000 2.686 622 F HA 0.360 4.887 4.527 0.000 0.000 0.365 622 F C -2.216 173.454 175.800 -0.217 0.000 1.196 622 F CA -2.337 55.611 58.000 -0.086 0.000 1.198 622 F CB 1.512 40.569 39.000 0.096 0.000 1.454 622 F HN -0.118 nan 8.300 nan 0.000 0.539 623 P HA -0.004 nan 4.420 nan 0.000 0.238 623 P C 0.163 177.663 177.300 0.333 0.000 1.679 623 P CA 0.211 63.242 63.100 -0.115 0.000 1.080 623 P CB -0.567 31.295 31.700 0.271 0.000 1.961 624 T N -1.258 113.423 114.554 0.210 0.000 2.899 624 T HA 0.147 4.497 4.350 0.000 0.000 0.295 624 T C 1.195 176.204 174.700 0.515 0.000 1.033 624 T CA -0.910 61.397 62.100 0.345 0.000 1.084 624 T CB 1.328 70.329 68.868 0.222 0.000 0.979 624 T HN 0.297 nan 8.240 nan 0.000 0.532 625 R N 0.714 121.478 120.500 0.439 0.000 2.346 625 R HA 0.205 4.545 4.340 0.000 0.000 0.208 625 R C 1.247 177.738 176.300 0.318 0.000 1.052 625 R CA 0.467 56.826 56.100 0.432 0.000 1.116 625 R CB -0.718 29.748 30.300 0.277 0.000 1.003 625 R HN 0.728 nan 8.270 nan 0.000 0.482 626 A N 0.340 123.328 122.820 0.280 0.000 2.055 626 A HA 0.062 4.382 4.320 0.000 0.000 0.205 626 A C 1.446 179.140 177.584 0.184 0.000 1.235 626 A CA -0.178 51.970 52.037 0.185 0.000 0.822 626 A CB -0.226 18.854 19.000 0.133 0.000 0.903 626 A HN 0.506 nan 8.150 nan 0.000 0.473 627 F N -1.397 118.556 119.950 0.004 0.000 2.530 627 F HA 0.157 4.684 4.527 0.000 0.000 0.292 627 F C 1.368 177.046 175.800 -0.203 0.000 1.109 627 F CA 0.046 57.962 58.000 -0.139 0.000 1.450 627 F CB -0.335 38.516 39.000 -0.248 0.000 1.114 627 F HN 0.272 nan 8.300 nan 0.000 0.560 628 W N 1.491 122.945 121.300 0.256 0.000 2.961 628 W HA -0.025 4.635 4.660 0.000 0.000 0.240 628 W C 1.797 178.351 176.519 0.059 0.000 1.305 628 W CA 1.178 58.580 57.345 0.096 0.000 1.465 628 W CB -0.175 29.448 29.460 0.272 0.000 1.135 628 W HN 0.049 nan 8.180 nan 0.000 0.688 629 T N -3.089 111.574 114.554 0.182 0.000 3.046 629 T HA -0.051 4.299 4.350 0.000 0.000 0.242 629 T C 1.705 176.396 174.700 -0.015 0.000 1.018 629 T CA 0.255 62.444 62.100 0.149 0.000 1.131 629 T CB -0.205 68.736 68.868 0.122 0.000 0.904 629 T HN -0.094 nan 8.240 nan 0.000 0.459 630 Q N 0.931 120.641 119.800 -0.149 0.000 2.119 630 Q HA 0.017 4.357 4.340 0.000 0.000 0.201 630 Q C 2.549 178.287 176.000 -0.436 0.000 0.972 630 Q CA 0.972 56.619 55.803 -0.261 0.000 0.847 630 Q CB -0.822 27.766 28.738 -0.249 0.000 0.903 630 Q HN 0.422 nan 8.270 nan 0.000 0.433 631 V N -0.127 119.424 119.914 -0.605 0.000 2.323 631 V HA -0.176 3.944 4.120 0.000 0.000 0.244 631 V C 1.552 177.451 176.094 -0.324 0.000 1.041 631 V CA 1.356 63.284 62.300 -0.620 0.000 1.025 631 V CB -0.380 30.810 31.823 -1.055 0.000 0.656 631 V HN 0.163 nan 8.190 nan 0.000 0.451 632 F N 1.089 120.997 119.950 -0.069 0.000 2.802 632 F HA 0.096 4.623 4.527 0.000 0.000 0.300 632 F C 2.046 177.804 175.800 -0.070 0.000 1.168 632 F CA 0.951 58.967 58.000 0.026 0.000 1.433 632 F CB -0.758 38.321 39.000 0.132 0.000 1.115 632 F HN 0.376 nan 8.300 nan 0.000 0.582 633 N N -0.007 118.673 118.700 -0.034 0.000 2.607 633 N HA -0.007 4.733 4.740 0.000 0.000 0.207 633 N C 1.872 177.226 175.510 -0.261 0.000 1.040 633 N CA 0.463 53.451 53.050 -0.104 0.000 0.947 633 N CB -0.132 38.292 38.487 -0.105 0.000 1.293 633 N HN 0.223 nan 8.380 nan 0.000 0.446 634 L N 0.259 121.168 121.223 -0.525 0.000 1.976 634 L HA -0.116 4.224 4.340 0.000 0.000 0.209 634 L C 1.181 177.539 176.870 -0.853 0.000 1.071 634 L CA 1.296 55.673 54.840 -0.773 0.000 0.746 634 L CB -0.630 40.660 42.059 -1.283 0.000 0.890 634 L HN 0.242 nan 8.230 nan 0.000 0.432 635 Y N -0.865 119.189 120.300 -0.411 0.000 2.645 635 Y HA 0.352 4.902 4.550 0.000 0.000 0.307 635 Y C 1.937 177.709 175.900 -0.214 0.000 1.151 635 Y CA -0.173 57.542 58.100 -0.642 0.000 1.291 635 Y CB -0.539 37.607 38.460 -0.524 0.000 1.135 635 Y HN 0.061 nan 8.280 nan 0.000 0.523 636 A N 0.281 123.067 122.820 -0.056 0.000 2.186 636 A HA -0.171 4.149 4.320 0.000 0.000 0.219 636 A C 2.033 179.685 177.584 0.113 0.000 1.159 636 A CA 2.202 54.304 52.037 0.109 0.000 0.680 636 A CB -0.721 18.315 19.000 0.061 0.000 0.787 636 A HN 0.541 nan 8.150 nan 0.000 0.467 637 T N -4.505 110.091 114.554 0.070 0.000 3.151 637 T HA 0.082 4.432 4.350 0.000 0.000 0.239 637 T C 1.558 176.395 174.700 0.227 0.000 0.979 637 T CA 0.617 62.801 62.100 0.140 0.000 1.194 637 T CB -0.737 68.215 68.868 0.140 0.000 0.982 637 T HN 0.602 nan 8.240 nan 0.000 0.428 638 H N 2.599 121.721 119.070 0.087 0.000 2.365 638 H HA -0.173 4.383 4.556 0.000 0.000 0.279 638 H C 1.151 176.502 175.328 0.039 0.000 1.141 638 H CA 0.982 57.049 56.048 0.031 0.000 1.135 638 H CB -0.216 29.517 29.762 -0.049 0.000 1.356 638 H HN 0.646 nan 8.280 nan 0.000 0.465 639 A N -0.864 122.104 122.820 0.245 0.000 2.435 639 A HA 0.421 4.741 4.320 0.000 0.000 0.296 639 A C 0.895 178.644 177.584 0.275 0.000 1.147 639 A CA -0.206 51.993 52.037 0.271 0.000 0.775 639 A CB 1.596 20.853 19.000 0.429 0.000 1.340 639 A HN 0.115 nan 8.150 nan 0.000 0.427 640 T N 0.004 114.702 114.554 0.240 0.000 2.925 640 T HA 0.135 4.485 4.350 0.000 0.000 0.245 640 T C 1.235 176.055 174.700 0.200 0.000 1.025 640 T CA 1.638 63.852 62.100 0.191 0.000 1.149 640 T CB -0.238 68.715 68.868 0.141 0.000 0.866 640 T HN 1.059 nan 8.240 nan 0.000 0.437 641 T N -0.179 114.510 114.554 0.224 0.000 2.922 641 T HA 0.733 5.083 4.350 0.000 0.000 0.281 641 T C -1.028 173.809 174.700 0.228 0.000 1.005 641 T CA -0.853 61.367 62.100 0.199 0.000 0.982 641 T CB 1.506 70.519 68.868 0.242 0.000 1.158 641 T HN 0.207 nan 8.240 nan 0.000 0.566 642 L N 1.279 122.594 121.223 0.153 0.000 2.847 642 L HA 0.417 4.757 4.340 0.000 0.000 0.261 642 L C -1.627 175.308 176.870 0.108 0.000 0.926 642 L CA -0.577 54.341 54.840 0.129 0.000 1.010 642 L CB 1.286 43.395 42.059 0.084 0.000 1.538 642 L HN 1.008 nan 8.230 nan 0.000 0.465 643 H N 5.344 124.408 119.070 -0.009 0.000 2.717 643 H HA 0.486 5.042 4.556 0.000 0.000 0.366 643 H C -1.082 174.191 175.328 -0.091 0.000 1.132 643 H CA -1.083 54.947 56.048 -0.031 0.000 1.180 643 H CB 2.511 32.222 29.762 -0.085 0.000 1.678 643 H HN 0.375 nan 8.280 nan 0.000 0.537 644 L N 2.664 123.954 121.223 0.110 0.000 2.292 644 L HA 0.262 4.602 4.340 0.000 0.000 0.284 644 L C -0.091 176.778 176.870 -0.002 0.000 1.065 644 L CA -0.859 54.043 54.840 0.105 0.000 0.806 644 L CB 1.301 43.461 42.059 0.168 0.000 1.175 644 L HN 0.397 nan 8.230 nan 0.000 0.431 645 V N 2.898 122.783 119.914 -0.048 0.000 2.271 645 V HA 0.138 4.258 4.120 0.000 0.000 0.259 645 V C 0.100 176.176 176.094 -0.030 0.000 1.030 645 V CA -0.725 61.465 62.300 -0.184 0.000 0.957 645 V CB 0.712 32.303 31.823 -0.387 0.000 1.186 645 V HN 0.569 nan 8.190 nan 0.000 0.471 646 K N 5.286 125.709 120.400 0.037 0.000 2.278 646 K HA 0.293 4.613 4.320 0.000 0.000 0.289 646 K C -2.669 173.941 176.600 0.017 0.000 1.080 646 K CA -1.774 54.566 56.287 0.088 0.000 0.934 646 K CB 0.506 33.070 32.500 0.107 0.000 1.093 646 K HN 0.245 nan 8.250 nan 0.000 0.459 647 P HA 0.119 nan 4.420 nan 0.000 0.258 647 P C -1.061 176.274 177.300 0.059 0.000 1.647 647 P CA -0.583 62.505 63.100 -0.020 0.000 1.099 647 P CB 0.573 32.202 31.700 -0.118 0.000 1.604 648 T N 1.318 115.930 114.554 0.096 0.000 2.961 648 T HA 0.127 4.476 4.350 0.000 0.000 0.270 648 T C 1.223 175.994 174.700 0.118 0.000 0.926 648 T CA -0.293 61.888 62.100 0.136 0.000 1.112 648 T CB -0.494 68.495 68.868 0.202 0.000 0.926 648 T HN 0.077 nan 8.240 nan 0.000 0.612 649 I N 2.111 122.725 120.570 0.073 0.000 2.494 649 I HA 0.129 4.299 4.170 0.000 0.000 0.250 649 I C 0.971 177.074 176.117 -0.025 0.000 1.112 649 I CA 0.473 61.788 61.300 0.024 0.000 1.438 649 I CB -0.702 37.303 38.000 0.008 0.000 1.111 649 I HN 0.417 nan 8.210 nan 0.000 0.431 650 V N 0.064 119.975 119.914 -0.005 0.000 3.156 650 V HA 0.244 4.364 4.120 0.000 0.000 0.310 650 V C -0.038 176.145 176.094 0.148 0.000 1.234 650 V CA -1.060 61.204 62.300 -0.060 0.000 1.065 650 V CB 2.401 34.149 31.823 -0.126 0.000 1.088 650 V HN 0.218 nan 8.190 nan 0.000 0.451 651 N N 1.398 120.300 118.700 0.336 0.000 2.415 651 N HA 0.350 5.090 4.740 0.000 0.000 0.250 651 N C -0.527 175.090 175.510 0.178 0.000 1.127 651 N CA 0.135 53.367 53.050 0.303 0.000 0.945 651 N CB 0.311 39.000 38.487 0.336 0.000 1.196 651 N HN 0.861 nan 8.380 nan 0.000 0.499 652 S N 1.065 116.854 115.700 0.149 0.000 2.596 652 S HA 0.250 4.720 4.470 0.000 0.000 0.270 652 S C 0.218 174.897 174.600 0.133 0.000 1.155 652 S CA -0.773 57.510 58.200 0.139 0.000 0.827 652 S CB 1.352 64.594 63.200 0.070 0.000 1.130 652 S HN 0.381 nan 8.310 nan 0.000 0.467 653 S N -0.842 114.939 115.700 0.134 0.000 2.568 653 S HA 0.205 4.675 4.470 0.000 0.000 0.232 653 S C 0.141 174.667 174.600 -0.125 0.000 0.975 653 S CA -0.190 58.006 58.200 -0.006 0.000 0.949 653 S CB -0.881 62.288 63.200 -0.052 0.000 0.829 653 S HN 0.900 nan 8.310 nan 0.000 0.479 654 E N 1.900 122.012 120.200 -0.147 0.000 2.265 654 E HA 0.388 4.738 4.350 0.000 0.000 0.272 654 E C 0.137 176.666 176.600 -0.117 0.000 1.067 654 E CA -0.783 55.477 56.400 -0.235 0.000 0.900 654 E CB 0.821 30.361 29.700 -0.266 0.000 1.017 654 E HN 0.309 nan 8.360 nan 0.000 0.431 655 V N 1.298 121.124 119.914 -0.147 0.000 2.769 655 V HA 0.616 4.736 4.120 0.000 0.000 0.312 655 V C -0.697 175.355 176.094 -0.070 0.000 1.058 655 V CA -1.105 61.200 62.300 0.008 0.000 0.952 655 V CB 0.803 32.649 31.823 0.037 0.000 1.019 655 V HN 0.635 nan 8.190 nan 0.000 0.445 656 F N 2.834 122.742 119.950 -0.069 0.000 2.421 656 F HA 0.781 5.308 4.527 0.000 0.000 0.337 656 F C -0.360 175.393 175.800 -0.078 0.000 1.105 656 F CA -0.687 57.261 58.000 -0.088 0.000 1.049 656 F CB 1.849 40.800 39.000 -0.080 0.000 1.139 656 F HN 0.340 nan 8.300 nan 0.000 0.479 657 L N 4.239 125.492 121.223 0.049 0.000 2.362 657 L HA 0.711 5.051 4.340 0.000 0.000 0.275 657 L C -0.615 176.190 176.870 -0.108 0.000 0.998 657 L CA -0.979 53.833 54.840 -0.046 0.000 0.820 657 L CB 1.684 43.686 42.059 -0.095 0.000 1.270 657 L HN 0.381 nan 8.230 nan 0.000 0.415 658 V N -1.221 118.606 119.914 -0.145 0.000 2.555 658 V HA 0.668 4.788 4.120 0.000 0.000 0.302 658 V C -0.722 175.268 176.094 -0.173 0.000 1.038 658 V CA -0.642 61.627 62.300 -0.052 0.000 0.887 658 V CB 1.558 33.434 31.823 0.089 0.000 0.991 658 V HN 0.452 nan 8.190 nan 0.000 0.434 659 F N 2.893 122.937 119.950 0.157 0.000 2.420 659 F HA 0.764 5.291 4.527 0.000 0.000 0.342 659 F C 1.514 177.406 175.800 0.153 0.000 1.113 659 F CA 0.556 58.658 58.000 0.170 0.000 1.059 659 F CB 1.914 40.991 39.000 0.128 0.000 1.128 659 F HN 0.840 nan 8.300 nan 0.000 0.475 660 G N 2.201 111.196 108.800 0.325 0.000 2.645 660 G HA2 0.151 4.111 3.960 0.000 0.000 0.179 660 G HA3 0.151 4.111 3.960 0.000 0.000 0.179 660 G C 0.487 175.495 174.900 0.180 0.000 1.515 660 G CA 0.298 45.537 45.100 0.231 0.000 0.852 660 G HN 0.899 nan 8.290 nan 0.000 0.481 661 G N -0.585 108.310 108.800 0.158 0.000 2.356 661 G HA2 0.432 4.392 3.960 0.000 0.000 0.312 661 G HA3 0.432 4.392 3.960 0.000 0.000 0.312 661 G C 0.208 175.181 174.900 0.122 0.000 1.096 661 G CA -0.608 44.560 45.100 0.115 0.000 0.950 661 G HN 0.432 nan 8.290 nan 0.000 0.428 662 R N 2.093 122.653 120.500 0.100 0.000 4.828 662 R HA 0.003 4.343 4.340 0.000 0.000 0.167 662 R C 0.741 177.067 176.300 0.042 0.000 2.071 662 R CA -0.123 56.017 56.100 0.067 0.000 1.630 662 R CB -0.974 29.349 30.300 0.038 0.000 1.359 662 R HN 0.696 nan 8.270 nan 0.000 0.834 663 Q N -0.408 119.432 119.800 0.067 0.000 2.256 663 Q HA 0.284 4.624 4.340 0.000 0.000 0.257 663 Q C 0.597 176.637 176.000 0.066 0.000 0.936 663 Q CA -0.196 55.639 55.803 0.054 0.000 0.903 663 Q CB 1.710 30.485 28.738 0.061 0.000 1.263 663 Q HN 0.276 nan 8.270 nan 0.000 0.440 664 S N 2.903 118.631 115.700 0.046 0.000 2.387 664 S HA -0.227 4.243 4.470 0.000 0.000 0.230 664 S C 0.320 174.979 174.600 0.098 0.000 1.035 664 S CA 1.603 59.843 58.200 0.066 0.000 1.014 664 S CB -0.550 62.673 63.200 0.038 0.000 0.836 664 S HN 0.805 nan 8.310 nan 0.000 0.466 665 N N 2.086 120.833 118.700 0.079 0.000 2.920 665 N HA 0.499 5.239 4.740 0.000 0.000 0.310 665 N C 0.233 175.794 175.510 0.085 0.000 1.384 665 N CA 0.104 53.200 53.050 0.077 0.000 1.083 665 N CB 0.810 39.331 38.487 0.056 0.000 1.389 665 N HN 0.518 nan 8.380 nan 0.000 0.521 666 G N -0.354 108.513 108.800 0.111 0.000 2.543 666 G HA2 0.650 4.610 3.960 0.000 0.000 0.290 666 G HA3 0.650 4.610 3.960 0.000 0.000 0.290 666 G C -0.628 174.340 174.900 0.113 0.000 1.310 666 G CA -0.679 44.493 45.100 0.121 0.000 1.025 666 G HN 0.278 nan 8.290 nan 0.000 0.502 667 A N 0.163 123.053 122.820 0.117 0.000 3.156 667 A HA 0.484 4.804 4.320 0.000 0.000 0.311 667 A C -0.336 177.312 177.584 0.107 0.000 1.129 667 A CA -0.491 51.603 52.037 0.095 0.000 0.809 667 A CB 0.014 19.049 19.000 0.058 0.000 1.257 667 A HN 0.487 nan 8.150 nan 0.000 0.491 668 L N 2.262 123.594 121.223 0.181 0.000 2.375 668 L HA 0.324 4.664 4.340 0.000 0.000 0.276 668 L C 0.857 177.751 176.870 0.040 0.000 1.162 668 L CA -0.163 54.819 54.840 0.237 0.000 0.991 668 L CB -0.077 42.284 42.059 0.503 0.000 1.315 668 L HN 0.675 nan 8.230 nan 0.000 0.431 669 R N 1.948 122.355 120.500 -0.155 0.000 2.459 669 R HA 0.262 4.601 4.340 0.000 0.000 0.281 669 R C 0.238 176.082 176.300 -0.761 0.000 1.050 669 R CA -0.449 55.417 56.100 -0.389 0.000 1.055 669 R CB 1.091 31.282 30.300 -0.181 0.000 1.045 669 R HN 0.591 nan 8.270 nan 0.000 0.495 670 S N 2.292 117.338 115.700 -1.089 0.000 2.488 670 S HA 0.108 4.578 4.470 0.000 0.000 0.278 670 S C 0.239 174.674 174.600 -0.275 0.000 1.259 670 S CA -0.501 57.174 58.200 -0.876 0.000 1.061 670 S CB 0.842 63.787 63.200 -0.425 0.000 0.910 670 S HN 0.701 nan 8.310 nan 0.000 0.491 671 T N -0.349 114.104 114.554 -0.169 0.000 2.937 671 T HA 0.440 4.790 4.350 0.000 0.000 0.283 671 T C 1.276 175.961 174.700 -0.026 0.000 1.012 671 T CA -0.541 61.532 62.100 -0.045 0.000 0.997 671 T CB 0.555 69.398 68.868 -0.042 0.000 1.136 671 T HN 0.486 nan 8.240 nan 0.000 0.551 672 T N 0.455 115.040 114.554 0.051 0.000 2.929 672 T HA 0.034 4.384 4.350 0.000 0.000 0.271 672 T C 2.297 176.927 174.700 -0.117 0.000 1.085 672 T CA 0.889 62.995 62.100 0.009 0.000 1.125 672 T CB -0.741 68.219 68.868 0.155 0.000 0.874 672 T HN 0.783 nan 8.240 nan 0.000 0.494 673 A N 2.120 124.897 122.820 -0.072 0.000 1.851 673 A HA -0.054 4.266 4.320 0.000 0.000 0.216 673 A C 2.236 179.692 177.584 -0.214 0.000 1.195 673 A CA 1.583 53.575 52.037 -0.074 0.000 0.622 673 A CB -1.009 17.980 19.000 -0.018 0.000 0.831 673 A HN 0.418 nan 8.150 nan 0.000 0.444 674 L N -0.260 120.811 121.223 -0.253 0.000 1.997 674 L HA -0.267 4.073 4.340 0.000 0.000 0.216 674 L C 2.518 179.098 176.870 -0.483 0.000 1.074 674 L CA 3.016 57.619 54.840 -0.396 0.000 0.763 674 L CB -0.977 40.841 42.059 -0.401 0.000 0.890 674 L HN 0.537 nan 8.230 nan 0.000 0.434 675 Q N -0.234 119.233 119.800 -0.555 0.000 2.152 675 Q HA -0.262 4.078 4.340 0.000 0.000 0.206 675 Q C 2.476 178.249 176.000 -0.379 0.000 0.985 675 Q CA 2.203 57.629 55.803 -0.629 0.000 0.863 675 Q CB -0.405 27.605 28.738 -1.213 0.000 0.904 675 Q HN 0.569 nan 8.270 nan 0.000 0.422 676 R N -0.856 119.458 120.500 -0.311 0.000 2.062 676 R HA -0.031 4.309 4.340 0.000 0.000 0.229 676 R C 2.070 178.145 176.300 -0.375 0.000 1.128 676 R CA 1.159 57.131 56.100 -0.213 0.000 0.960 676 R CB -0.462 29.785 30.300 -0.088 0.000 0.855 676 R HN 0.336 nan 8.270 nan 0.000 0.432 677 A N 1.615 124.036 122.820 -0.666 0.000 1.851 677 A HA -0.215 4.105 4.320 0.000 0.000 0.216 677 A C 2.079 179.248 177.584 -0.692 0.000 1.195 677 A CA 1.440 52.687 52.037 -1.316 0.000 0.622 677 A CB -0.895 17.288 19.000 -1.362 0.000 0.831 677 A HN 0.355 nan 8.150 nan 0.000 0.444 678 L N -0.545 120.389 121.223 -0.482 0.000 2.013 678 L HA -0.161 4.179 4.340 0.000 0.000 0.212 678 L C 2.421 179.175 176.870 -0.194 0.000 1.073 678 L CA 1.960 56.607 54.840 -0.322 0.000 0.753 678 L CB -0.577 41.328 42.059 -0.256 0.000 0.890 678 L HN 0.474 nan 8.230 nan 0.000 0.432 679 L N -1.593 119.561 121.223 -0.115 0.000 2.083 679 L HA -0.238 4.102 4.340 0.000 0.000 0.209 679 L C 2.405 179.278 176.870 0.005 0.000 1.083 679 L CA 1.493 56.345 54.840 0.019 0.000 0.752 679 L CB -0.195 41.849 42.059 -0.025 0.000 0.899 679 L HN 0.300 nan 8.230 nan 0.000 0.433 680 S N -0.167 115.485 115.700 -0.080 0.000 2.368 680 S HA -0.204 4.266 4.470 0.000 0.000 0.224 680 S C 1.762 176.357 174.600 -0.009 0.000 1.029 680 S CA 1.308 59.497 58.200 -0.018 0.000 0.988 680 S CB -0.364 62.851 63.200 0.025 0.000 0.838 680 S HN 0.426 nan 8.310 nan 0.000 0.462 681 L N 0.387 121.547 121.223 -0.105 0.000 1.956 681 L HA -0.243 4.097 4.340 0.000 0.000 0.216 681 L C 2.214 179.017 176.870 -0.112 0.000 1.073 681 L CA 1.902 56.649 54.840 -0.156 0.000 0.762 681 L CB -0.527 41.309 42.059 -0.371 0.000 0.889 681 L HN 0.253 nan 8.230 nan 0.000 0.433 682 Y N 0.274 120.572 120.300 -0.002 0.000 2.128 682 Y HA -0.260 4.290 4.550 0.000 0.000 0.284 682 Y C 2.693 178.603 175.900 0.017 0.000 1.154 682 Y CA 1.242 59.346 58.100 0.008 0.000 1.149 682 Y CB -1.346 37.104 38.460 -0.018 0.000 0.976 682 Y HN 0.365 nan 8.280 nan 0.000 0.505 683 A N 0.042 122.961 122.820 0.164 0.000 2.093 683 A HA -0.298 4.022 4.320 0.000 0.000 0.222 683 A C 2.305 179.919 177.584 0.050 0.000 1.162 683 A CA 2.220 54.310 52.037 0.087 0.000 0.655 683 A CB -0.768 18.267 19.000 0.058 0.000 0.805 683 A HN 0.528 nan 8.150 nan 0.000 0.461 684 R N -1.065 119.464 120.500 0.048 0.000 2.156 684 R HA 0.016 4.356 4.340 0.000 0.000 0.207 684 R C 1.481 177.781 176.300 -0.000 0.000 1.040 684 R CA 1.006 57.108 56.100 0.005 0.000 1.013 684 R CB -0.187 30.127 30.300 0.024 0.000 0.931 684 R HN 0.447 nan 8.270 nan 0.000 0.465 685 N N 0.623 119.366 118.700 0.071 0.000 2.381 685 N HA -0.050 4.690 4.740 0.000 0.000 0.182 685 N C 1.273 176.804 175.510 0.035 0.000 1.025 685 N CA 1.235 54.338 53.050 0.088 0.000 0.888 685 N CB 0.046 38.690 38.487 0.261 0.000 0.965 685 N HN 0.321 nan 8.380 nan 0.000 0.438 686 A N 0.275 123.121 122.820 0.042 0.000 1.930 686 A HA 0.199 4.519 4.320 0.000 0.000 0.215 686 A C 2.222 179.772 177.584 -0.058 0.000 1.176 686 A CA 1.427 53.467 52.037 0.004 0.000 0.632 686 A CB -0.701 18.312 19.000 0.023 0.000 0.819 686 A HN 0.275 nan 8.150 nan 0.000 0.445 687 A N 0.084 122.861 122.820 -0.072 0.000 1.873 687 A HA -0.004 4.316 4.320 0.000 0.000 0.215 687 A C 2.078 179.537 177.584 -0.209 0.000 1.186 687 A CA 1.431 53.389 52.037 -0.132 0.000 0.616 687 A CB -0.547 18.359 19.000 -0.156 0.000 0.823 687 A HN 0.460 nan 8.150 nan 0.000 0.442 688 I N -0.390 120.048 120.570 -0.220 0.000 2.439 688 I HA -0.177 3.993 4.170 0.000 0.000 0.251 688 I C 2.304 178.196 176.117 -0.374 0.000 1.139 688 I CA 1.489 62.584 61.300 -0.342 0.000 1.438 688 I CB -0.303 37.517 38.000 -0.300 0.000 1.085 688 I HN 0.443 nan 8.210 nan 0.000 0.427 689 D N 1.799 122.053 120.400 -0.242 0.000 2.085 689 D HA -0.225 4.415 4.640 0.000 0.000 0.199 689 D C 2.282 178.435 176.300 -0.245 0.000 0.981 689 D CA 1.387 55.251 54.000 -0.226 0.000 0.834 689 D CB -0.057 40.659 40.800 -0.141 0.000 0.992 689 D HN 0.269 nan 8.370 nan 0.000 0.457 690 R N 0.893 121.272 120.500 -0.202 0.000 2.154 690 R HA -0.173 4.167 4.340 0.000 0.000 0.248 690 R C 2.118 178.209 176.300 -0.349 0.000 1.155 690 R CA 1.912 57.878 56.100 -0.224 0.000 0.979 690 R CB -0.496 29.719 30.300 -0.142 0.000 0.869 690 R HN 0.135 nan 8.270 nan 0.000 0.452 691 A N 0.971 123.598 122.820 -0.321 0.000 1.855 691 A HA -0.032 4.288 4.320 0.000 0.000 0.215 691 A C 2.343 179.697 177.584 -0.382 0.000 1.191 691 A CA 1.431 53.266 52.037 -0.336 0.000 0.613 691 A CB -0.524 18.295 19.000 -0.301 0.000 0.829 691 A HN 0.204 nan 8.150 nan 0.000 0.442 692 V N 0.488 120.170 119.914 -0.388 0.000 2.913 692 V HA -0.184 3.936 4.120 0.000 0.000 0.260 692 V C 2.542 178.460 176.094 -0.294 0.000 1.098 692 V CA 2.149 64.256 62.300 -0.322 0.000 1.121 692 V CB -1.192 30.419 31.823 -0.354 0.000 0.714 692 V HN 0.641 nan 8.190 nan 0.000 0.487 693 T N -0.908 113.429 114.554 -0.362 0.000 2.778 693 T HA -0.217 4.133 4.350 0.000 0.000 0.269 693 T C 1.610 176.143 174.700 -0.278 0.000 1.050 693 T CA 1.405 63.312 62.100 -0.321 0.000 1.137 693 T CB -0.410 68.251 68.868 -0.345 0.000 0.860 693 T HN 0.571 nan 8.240 nan 0.000 0.468 694 H N 0.189 119.117 119.070 -0.237 0.000 2.567 694 H HA 0.227 4.783 4.556 0.000 0.000 0.276 694 H C 0.632 175.824 175.328 -0.226 0.000 1.016 694 H CA 0.258 56.144 56.048 -0.271 0.000 1.186 694 H CB -0.492 29.003 29.762 -0.445 0.000 1.351 694 H HN 0.396 nan 8.280 nan 0.000 0.605 695 I N 1.719 122.219 120.570 -0.117 0.000 2.441 695 I HA 0.256 4.426 4.170 0.000 0.000 0.295 695 I C -2.169 173.811 176.117 -0.227 0.000 0.994 695 I CA -2.180 59.041 61.300 -0.131 0.000 1.144 695 I CB 2.062 40.040 38.000 -0.036 0.000 1.314 695 I HN -0.221 nan 8.210 nan 0.000 0.445 696 P HA 0.159 nan 4.420 nan 0.000 0.272 696 P C -0.861 176.347 177.300 -0.153 0.000 1.223 696 P CA -0.151 62.890 63.100 -0.098 0.000 0.784 696 P CB 0.381 32.063 31.700 -0.031 0.000 0.923 697 F N 0.962 120.919 119.950 0.012 0.000 2.443 697 F HA 0.254 4.781 4.527 0.000 0.000 0.353 697 F C 0.946 176.712 175.800 -0.056 0.000 1.101 697 F CA 0.149 58.141 58.000 -0.014 0.000 1.226 697 F CB -0.123 38.904 39.000 0.045 0.000 1.140 697 F HN 0.211 nan 8.300 nan 0.000 0.557 698 F N 1.168 121.088 119.950 -0.050 0.000 2.650 698 F HA 0.212 4.739 4.527 0.000 0.000 0.355 698 F C 1.533 177.358 175.800 0.043 0.000 1.163 698 F CA 0.898 58.781 58.000 -0.196 0.000 1.374 698 F CB -0.249 38.615 39.000 -0.227 0.000 1.065 698 F HN 0.740 nan 8.300 nan 0.000 0.616 699 G N 1.082 110.038 108.800 0.260 0.000 2.233 699 G HA2 -0.224 3.736 3.960 0.000 0.000 0.270 699 G HA3 -0.224 3.736 3.960 0.000 0.000 0.270 699 G C -0.434 174.546 174.900 0.133 0.000 1.011 699 G CA 0.274 45.479 45.100 0.176 0.000 0.762 699 G HN 0.779 nan 8.290 nan 0.000 0.511 700 V N 1.945 121.948 119.914 0.148 0.000 2.417 700 V HA 0.652 4.772 4.120 0.000 0.000 0.291 700 V C -1.449 174.680 176.094 0.060 0.000 1.024 700 V CA -2.022 60.339 62.300 0.102 0.000 0.861 700 V CB 1.564 33.465 31.823 0.130 0.000 0.985 700 V HN 0.246 nan 8.190 nan 0.000 0.436 701 P HA 0.033 nan 4.420 nan 0.000 0.264 701 P C -0.664 176.624 177.300 -0.020 0.000 1.183 701 P CA 0.086 63.180 63.100 -0.010 0.000 0.763 701 P CB 0.460 32.151 31.700 -0.015 0.000 0.807 702 D N 1.676 122.041 120.400 -0.058 0.000 2.417 702 D HA 0.078 4.718 4.640 0.000 0.000 0.250 702 D C -0.046 176.230 176.300 -0.040 0.000 1.166 702 D CA 0.423 54.386 54.000 -0.062 0.000 0.881 702 D CB 0.302 41.038 40.800 -0.106 0.000 1.164 702 D HN 0.268 nan 8.370 nan 0.000 0.467 703 D N 0.955 121.344 120.400 -0.018 0.000 2.624 703 D HA 0.577 5.217 4.640 0.000 0.000 0.257 703 D C 1.224 177.526 176.300 0.004 0.000 1.167 703 D CA -0.596 53.403 54.000 -0.003 0.000 1.086 703 D CB 1.053 41.857 40.800 0.008 0.000 1.210 703 D HN 0.362 nan 8.370 nan 0.000 0.631 704 G N -1.666 107.141 108.800 0.013 0.000 2.887 704 G HA2 -0.007 3.953 3.960 0.000 0.000 0.211 704 G HA3 -0.007 3.953 3.960 0.000 0.000 0.211 704 G C 1.102 176.005 174.900 0.005 0.000 1.152 704 G CA 0.459 45.567 45.100 0.012 0.000 0.769 704 G HN 0.458 nan 8.290 nan 0.000 0.541 705 T N 1.827 116.387 114.554 0.010 0.000 2.643 705 T HA -0.079 4.271 4.350 0.000 0.000 0.264 705 T C 1.873 176.580 174.700 0.011 0.000 1.045 705 T CA 1.145 63.254 62.100 0.015 0.000 1.155 705 T CB -0.476 68.407 68.868 0.025 0.000 0.863 705 T HN 0.475 nan 8.240 nan 0.000 0.420 706 S N 2.491 118.193 115.700 0.004 0.000 2.593 706 S HA -0.066 4.404 4.470 0.000 0.000 0.300 706 S C 0.870 175.452 174.600 -0.030 0.000 1.267 706 S CA -0.345 57.846 58.200 -0.016 0.000 1.065 706 S CB 0.527 63.704 63.200 -0.038 0.000 0.807 706 S HN 0.333 nan 8.310 nan 0.000 0.499 707 D N 2.146 122.526 120.400 -0.033 0.000 2.097 707 D HA -0.068 4.572 4.640 0.000 0.000 0.197 707 D C 1.342 177.584 176.300 -0.098 0.000 0.984 707 D CA 1.202 55.175 54.000 -0.046 0.000 0.826 707 D CB -0.165 40.619 40.800 -0.027 0.000 0.973 707 D HN 0.657 nan 8.370 nan 0.000 0.460 708 L N 0.488 121.629 121.223 -0.137 0.000 2.627 708 L HA 0.250 4.590 4.340 0.000 0.000 0.233 708 L C 0.914 177.672 176.870 -0.187 0.000 1.144 708 L CA -0.243 54.482 54.840 -0.191 0.000 0.892 708 L CB -0.215 41.686 42.059 -0.264 0.000 1.039 708 L HN -0.004 nan 8.230 nan 0.000 0.442 709 G N 0.797 109.519 108.800 -0.130 0.000 2.353 709 G HA2 0.118 4.078 3.960 0.000 0.000 0.239 709 G HA3 0.118 4.078 3.960 0.000 0.000 0.239 709 G C -0.077 174.780 174.900 -0.072 0.000 1.295 709 G CA -0.342 44.691 45.100 -0.111 0.000 0.884 709 G HN 0.171 nan 8.290 nan 0.000 0.537 710 I N 2.791 123.322 120.570 -0.065 0.000 2.291 710 I HA 0.122 4.292 4.170 0.000 0.000 0.292 710 I C -0.512 175.648 176.117 0.072 0.000 1.064 710 I CA -0.645 60.672 61.300 0.027 0.000 1.269 710 I CB 0.793 38.832 38.000 0.065 0.000 1.418 710 I HN 0.503 nan 8.210 nan 0.000 0.485 711 D N 6.521 126.992 120.400 0.119 0.000 2.256 711 D HA 0.658 5.298 4.640 0.000 0.000 0.240 711 D C -0.482 175.957 176.300 0.232 0.000 1.062 711 D CA -0.515 53.579 54.000 0.158 0.000 0.832 711 D CB 2.081 43.001 40.800 0.200 0.000 1.135 711 D HN 0.433 nan 8.370 nan 0.000 0.484 712 A N 1.635 124.576 122.820 0.201 0.000 2.468 712 A HA 0.814 5.134 4.320 0.000 0.000 0.270 712 A C -1.062 176.563 177.584 0.069 0.000 1.217 712 A CA -0.812 51.372 52.037 0.244 0.000 0.908 712 A CB 1.648 20.917 19.000 0.449 0.000 1.423 712 A HN 0.481 nan 8.150 nan 0.000 0.459 713 V N 0.951 120.915 119.914 0.083 0.000 2.614 713 V HA 0.337 4.457 4.120 0.000 0.000 0.281 713 V C -0.359 175.756 176.094 0.034 0.000 1.031 713 V CA -0.384 61.901 62.300 -0.024 0.000 0.899 713 V CB 1.239 33.051 31.823 -0.017 0.000 1.037 713 V HN 0.864 nan 8.190 nan 0.000 0.456 714 R N 5.048 125.541 120.500 -0.011 0.000 2.202 714 R HA 0.723 5.063 4.340 0.000 0.000 0.334 714 R C -1.268 174.951 176.300 -0.135 0.000 1.036 714 R CA -0.347 55.708 56.100 -0.075 0.000 0.878 714 R CB 0.719 30.950 30.300 -0.115 0.000 1.067 714 R HN 0.649 nan 8.270 nan 0.000 0.457 715 L N 4.444 125.577 121.223 -0.151 0.000 2.330 715 L HA 0.521 4.861 4.340 0.000 0.000 0.271 715 L C -0.787 175.909 176.870 -0.291 0.000 1.013 715 L CA -0.855 53.917 54.840 -0.114 0.000 0.816 715 L CB 1.447 43.484 42.059 -0.036 0.000 1.287 715 L HN 0.512 nan 8.230 nan 0.000 0.435 716 F N 0.899 120.849 119.950 0.000 0.000 2.347 716 F HA 0.284 4.811 4.527 0.000 0.000 0.366 716 F C -0.106 175.688 175.800 -0.011 0.000 1.107 716 F CA -0.650 57.355 58.000 0.008 0.000 1.058 716 F CB 0.864 39.864 39.000 -0.001 0.000 1.236 716 F HN 0.485 nan 8.300 nan 0.000 0.456 717 D N 2.467 122.947 120.400 0.132 0.000 2.689 717 D HA -0.152 4.488 4.640 0.000 0.000 0.237 717 D C -2.395 173.890 176.300 -0.026 0.000 1.148 717 D CA 0.272 54.321 54.000 0.082 0.000 0.656 717 D CB -0.991 39.869 40.800 0.100 0.000 1.050 717 D HN 0.209 nan 8.370 nan 0.000 0.426 718 P HA -0.047 nan 4.420 nan 0.000 0.267 718 P C 0.220 177.196 177.300 -0.540 0.000 1.205 718 P CA -0.099 62.733 63.100 -0.445 0.000 0.765 718 P CB 0.670 31.908 31.700 -0.770 0.000 0.828 719 M N 4.755 124.110 119.600 -0.408 0.000 3.347 719 M HA 0.241 4.721 4.480 0.000 0.000 0.260 719 M C -0.877 175.280 176.300 -0.237 0.000 1.362 719 M CA -0.929 54.228 55.300 -0.238 0.000 1.497 719 M CB -0.770 31.762 32.600 -0.113 0.000 1.080 719 M HN 0.044 nan 8.290 nan 0.000 0.592 720 F N 1.126 121.063 119.950 -0.023 0.000 2.519 720 F HA 0.077 4.604 4.527 0.000 0.000 0.381 720 F C 0.894 176.667 175.800 -0.045 0.000 1.076 720 F CA 0.406 58.382 58.000 -0.041 0.000 1.095 720 F CB -0.080 38.875 39.000 -0.074 0.000 1.046 720 F HN 0.331 nan 8.300 nan 0.000 0.559 721 S N 2.227 117.983 115.700 0.094 0.000 2.503 721 S HA 0.452 4.922 4.470 0.000 0.000 0.301 721 S C -0.829 173.792 174.600 0.036 0.000 1.087 721 S CA -1.060 57.164 58.200 0.040 0.000 1.042 721 S CB 0.733 63.934 63.200 0.003 0.000 1.043 721 S HN 0.436 nan 8.310 nan 0.000 0.489 722 D N 2.390 122.798 120.400 0.014 0.000 2.302 722 D HA 0.573 5.213 4.640 0.000 0.000 0.248 722 D C 0.872 177.173 176.300 0.003 0.000 1.094 722 D CA 0.895 54.899 54.000 0.007 0.000 0.897 722 D CB 1.102 41.899 40.800 -0.006 0.000 1.200 722 D HN 0.888 nan 8.370 nan 0.000 0.429 723 A N 0.465 123.289 122.820 0.007 0.000 3.172 723 A HA -0.142 4.178 4.320 0.000 0.000 0.263 723 A C 0.001 177.589 177.584 0.007 0.000 1.215 723 A CA 0.832 52.872 52.037 0.006 0.000 1.065 723 A CB -1.843 17.157 19.000 0.001 0.000 1.148 723 A HN 0.364 nan 8.150 nan 0.000 0.904 724 V N -1.605 118.315 119.914 0.010 0.000 2.686 724 V HA 0.698 4.818 4.120 0.000 0.000 0.306 724 V C 0.810 176.913 176.094 0.014 0.000 1.065 724 V CA -0.165 62.140 62.300 0.008 0.000 0.894 724 V CB 1.789 33.614 31.823 0.003 0.000 1.004 724 V HN 1.307 nan 8.190 nan 0.000 0.424 725 A N 3.411 126.238 122.820 0.011 0.000 2.503 725 A HA 0.185 4.505 4.320 0.000 0.000 0.263 725 A C 0.866 178.457 177.584 0.012 0.000 1.360 725 A CA -0.366 51.680 52.037 0.016 0.000 0.969 725 A CB -0.974 18.033 19.000 0.013 0.000 1.000 725 A HN 0.917 nan 8.150 nan 0.000 0.530 726 N N 0.921 119.624 118.700 0.005 0.000 2.454 726 N HA -0.072 4.668 4.740 0.000 0.000 0.260 726 N C 0.980 176.485 175.510 -0.007 0.000 1.218 726 N CA -0.396 52.649 53.050 -0.008 0.000 0.904 726 N CB 0.737 39.210 38.487 -0.023 0.000 1.065 726 N HN 0.125 nan 8.380 nan 0.000 0.462 727 L N 2.720 123.938 121.223 -0.008 0.000 2.040 727 L HA -0.203 4.137 4.340 0.000 0.000 0.228 727 L C -0.834 176.030 176.870 -0.010 0.000 1.092 727 L CA 2.780 57.619 54.840 -0.001 0.000 0.805 727 L CB -2.220 39.837 42.059 -0.005 0.000 0.905 727 L HN 0.431 nan 8.230 nan 0.000 0.443 728 P HA -0.167 nan 4.420 nan 0.000 0.216 728 P C 2.006 179.275 177.300 -0.050 0.000 1.154 728 P CA 2.238 65.242 63.100 -0.159 0.000 0.865 728 P CB -0.068 31.425 31.700 -0.345 0.000 0.789 729 S N -2.412 113.301 115.700 0.021 0.000 2.528 729 S HA 0.016 4.486 4.470 0.000 0.000 0.219 729 S C 1.753 176.430 174.600 0.127 0.000 0.985 729 S CA 0.502 58.809 58.200 0.177 0.000 0.914 729 S CB -0.867 62.414 63.200 0.136 0.000 0.776 729 S HN -0.005 nan 8.310 nan 0.000 0.526 730 N N 1.305 120.053 118.700 0.081 0.000 2.333 730 N HA 0.266 5.006 4.740 0.000 0.000 0.178 730 N C 1.674 177.242 175.510 0.097 0.000 1.018 730 N CA 1.060 54.154 53.050 0.073 0.000 0.882 730 N CB -0.271 38.245 38.487 0.049 0.000 0.984 730 N HN 0.410 nan 8.380 nan 0.000 0.434 731 A N 0.487 123.371 122.820 0.106 0.000 1.968 731 A HA -0.011 4.309 4.320 0.000 0.000 0.217 731 A C 1.936 179.616 177.584 0.161 0.000 1.169 731 A CA 0.606 52.720 52.037 0.129 0.000 0.638 731 A CB -0.578 18.473 19.000 0.085 0.000 0.812 731 A HN 0.303 nan 8.150 nan 0.000 0.446 732 L N -0.301 121.026 121.223 0.174 0.000 2.079 732 L HA -0.175 4.165 4.340 0.000 0.000 0.210 732 L C 2.630 179.566 176.870 0.110 0.000 1.081 732 L CA 2.141 57.074 54.840 0.154 0.000 0.752 732 L CB -1.389 40.771 42.059 0.168 0.000 0.896 732 L HN 0.437 nan 8.230 nan 0.000 0.433 733 A N -0.197 122.689 122.820 0.111 0.000 1.829 733 A HA -0.234 4.086 4.320 0.000 0.000 0.216 733 A C 2.357 180.002 177.584 0.101 0.000 1.207 733 A CA 2.473 54.569 52.037 0.099 0.000 0.622 733 A CB -1.097 17.950 19.000 0.078 0.000 0.846 733 A HN 0.546 nan 8.150 nan 0.000 0.447 734 S N 0.205 115.967 115.700 0.104 0.000 2.401 734 S HA -0.328 4.142 4.470 0.000 0.000 0.236 734 S C 1.854 176.516 174.600 0.103 0.000 1.058 734 S CA 1.878 60.129 58.200 0.084 0.000 1.151 734 S CB -1.111 62.178 63.200 0.148 0.000 1.049 734 S HN 0.627 nan 8.310 nan 0.000 0.432 735 L N 1.900 123.262 121.223 0.231 0.000 2.010 735 L HA -0.161 4.179 4.340 0.000 0.000 0.219 735 L C 2.330 179.273 176.870 0.123 0.000 1.077 735 L CA 1.872 56.855 54.840 0.238 0.000 0.773 735 L CB -0.734 41.461 42.059 0.226 0.000 0.892 735 L HN 0.248 nan 8.230 nan 0.000 0.436 736 V N -1.246 118.724 119.914 0.094 0.000 2.626 736 V HA -0.210 3.910 4.120 0.000 0.000 0.252 736 V C 2.685 178.834 176.094 0.092 0.000 1.067 736 V CA 1.635 63.978 62.300 0.072 0.000 1.081 736 V CB -0.378 31.475 31.823 0.051 0.000 0.686 736 V HN 0.665 nan 8.190 nan 0.000 0.468 737 S N -0.018 115.729 115.700 0.078 0.000 2.406 737 S HA -0.102 4.368 4.470 0.000 0.000 0.228 737 S C 2.022 176.622 174.600 -0.000 0.000 1.020 737 S CA 0.910 59.129 58.200 0.032 0.000 0.965 737 S CB -0.181 63.010 63.200 -0.016 0.000 0.798 737 S HN 0.597 nan 8.310 nan 0.000 0.488 738 R N 0.089 120.583 120.500 -0.009 0.000 2.299 738 R HA 0.140 4.480 4.340 0.000 0.000 0.197 738 R C 0.004 176.306 176.300 0.003 0.000 0.971 738 R CA 0.548 56.627 56.100 -0.036 0.000 1.030 738 R CB 0.299 30.545 30.300 -0.090 0.000 0.932 738 R HN 0.318 nan 8.270 nan 0.000 0.477 739 V N -0.155 119.776 119.914 0.029 0.000 3.028 739 V HA 0.051 4.171 4.120 0.000 0.000 0.418 739 V C 1.104 177.219 176.094 0.036 0.000 1.433 739 V CA -0.169 62.150 62.300 0.032 0.000 1.543 739 V CB 0.817 32.666 31.823 0.043 0.000 1.329 739 V HN -0.096 nan 8.190 nan 0.000 0.646 740 V N 1.507 121.449 119.914 0.047 0.000 2.232 740 V HA -0.032 4.088 4.120 0.000 0.000 0.237 740 V C -0.897 175.223 176.094 0.043 0.000 1.035 740 V CA 1.864 64.203 62.300 0.064 0.000 0.988 740 V CB -0.766 31.117 31.823 0.099 0.000 0.636 740 V HN 0.606 nan 8.190 nan 0.000 0.456 741 P HA 0.140 nan 4.420 nan 0.000 0.266 741 P C -0.189 177.129 177.300 0.029 0.000 1.419 741 P CA 1.113 64.231 63.100 0.029 0.000 1.112 741 P CB 1.447 33.163 31.700 0.028 0.000 1.438 742 S N 1.690 117.401 115.700 0.019 0.000 6.176 742 S HA 0.195 4.665 4.470 0.000 0.000 0.108 742 S C 0.795 175.397 174.600 0.003 0.000 1.234 742 S CA 0.718 58.927 58.200 0.015 0.000 1.275 742 S CB -0.008 63.201 63.200 0.015 0.000 1.979 742 S HN 0.420 nan 8.310 nan 0.000 0.622 743 S N -0.763 114.928 115.700 -0.014 0.000 4.738 743 S HA 0.402 4.872 4.470 0.000 0.000 0.176 743 S C -1.202 173.355 174.600 -0.072 0.000 1.108 743 S CA 0.400 58.580 58.200 -0.035 0.000 1.277 743 S CB -0.239 62.945 63.200 -0.027 0.000 1.680 743 S HN 0.637 nan 8.310 nan 0.000 0.502 744 I N 3.184 123.697 120.570 -0.096 0.000 7.706 744 I HA -0.169 4.001 4.170 0.000 0.000 0.126 744 I C -0.793 175.197 176.117 -0.211 0.000 1.832 744 I CA 0.477 61.694 61.300 -0.139 0.000 2.069 744 I CB -0.962 36.982 38.000 -0.094 0.000 3.675 744 I HN 0.405 nan 8.210 nan 0.000 0.179 745 M N 6.225 125.569 119.600 -0.426 0.000 2.205 745 M HA 0.507 4.987 4.480 0.000 0.000 0.344 745 M C -0.359 175.640 176.300 -0.502 0.000 1.085 745 M CA -0.386 54.629 55.300 -0.475 0.000 1.001 745 M CB 1.645 33.891 32.600 -0.590 0.000 1.626 745 M HN 0.361 nan 8.290 nan 0.000 0.442 746 F N 3.224 122.978 119.950 -0.326 0.000 2.436 746 F HA 0.742 5.269 4.527 0.000 0.000 0.340 746 F C -0.318 175.422 175.800 -0.102 0.000 1.113 746 F CA -0.234 57.643 58.000 -0.204 0.000 1.022 746 F CB 1.329 40.223 39.000 -0.176 0.000 1.128 746 F HN 0.681 nan 8.300 nan 0.000 0.466 747 T N 3.174 117.170 114.554 -0.931 0.000 2.916 747 T HA 0.623 4.973 4.350 0.000 0.000 0.292 747 T C -0.870 173.329 174.700 -0.835 0.000 1.064 747 T CA -1.141 60.501 62.100 -0.764 0.000 1.011 747 T CB 1.926 70.635 68.868 -0.264 0.000 1.152 747 T HN 0.793 nan 8.240 nan 0.000 0.510 748 R N 1.284 121.529 120.500 -0.426 0.000 2.680 748 R HA 0.512 4.852 4.340 0.000 0.000 0.278 748 R C -1.412 174.960 176.300 0.120 0.000 1.582 748 R CA -0.525 55.503 56.100 -0.119 0.000 1.177 748 R CB 1.857 32.158 30.300 0.001 0.000 1.232 748 R HN 0.531 nan 8.270 nan 0.000 0.528 749 V N 4.720 124.648 119.914 0.024 0.000 2.465 749 V HA 0.316 4.436 4.120 0.000 0.000 0.279 749 V C -1.848 174.184 176.094 -0.104 0.000 1.045 749 V CA -1.766 60.522 62.300 -0.020 0.000 0.938 749 V CB 1.660 33.452 31.823 -0.052 0.000 0.986 749 V HN 0.529 nan 8.190 nan 0.000 0.467 750 P HA 0.198 nan 4.420 nan 0.000 0.283 750 P C -0.364 176.771 177.300 -0.275 0.000 1.412 750 P CA -0.006 62.745 63.100 -0.582 0.000 0.912 750 P CB 1.263 32.034 31.700 -1.548 0.000 1.132 751 S N 3.143 118.778 115.700 -0.108 0.000 2.617 751 S HA 0.092 4.562 4.470 0.000 0.000 0.269 751 S C 1.659 176.233 174.600 -0.042 0.000 1.292 751 S CA -0.650 57.526 58.200 -0.041 0.000 1.010 751 S CB 0.168 63.395 63.200 0.046 0.000 0.944 751 S HN 0.486 nan 8.310 nan 0.000 0.536 752 N N 2.698 121.379 118.700 -0.031 0.000 2.609 752 N HA 0.027 4.767 4.740 0.000 0.000 0.190 752 N C 0.846 176.363 175.510 0.012 0.000 1.157 752 N CA 0.866 53.908 53.050 -0.014 0.000 0.918 752 N CB -0.455 38.020 38.487 -0.020 0.000 0.978 752 N HN 0.540 nan 8.380 nan 0.000 0.448 753 G N 0.895 109.704 108.800 0.015 0.000 2.968 753 G HA2 0.324 4.284 3.960 0.000 0.000 0.206 753 G HA3 0.324 4.284 3.960 0.000 0.000 0.206 753 G C -2.347 172.580 174.900 0.045 0.000 2.051 753 G CA -0.184 44.928 45.100 0.020 0.000 0.773 753 G HN 0.311 nan 8.290 nan 0.000 0.741 754 P HA 0.476 nan 4.420 nan 0.000 0.321 754 P C -1.112 176.292 177.300 0.172 0.000 1.304 754 P CA -0.423 62.760 63.100 0.138 0.000 0.759 754 P CB 2.143 33.960 31.700 0.195 0.000 1.385 755 V N 0.325 120.361 119.914 0.203 0.000 2.305 755 V HA 0.169 4.289 4.120 0.000 0.000 0.275 755 V C 0.779 176.942 176.094 0.114 0.000 1.020 755 V CA -0.463 61.942 62.300 0.175 0.000 0.811 755 V CB 0.255 32.250 31.823 0.287 0.000 1.031 755 V HN 0.666 nan 8.190 nan 0.000 0.439 756 S N 2.975 118.671 115.700 -0.006 0.000 2.579 756 S HA 0.430 4.900 4.470 0.000 0.000 0.275 756 S C 0.391 174.892 174.600 -0.164 0.000 1.345 756 S CA 0.189 58.181 58.200 -0.347 0.000 1.031 756 S CB 1.227 64.108 63.200 -0.531 0.000 0.892 756 S HN 1.061 nan 8.310 nan 0.000 0.529 757 T N -0.987 113.465 114.554 -0.171 0.000 3.296 757 T HA 0.412 4.762 4.350 0.000 0.000 0.333 757 T C 0.124 174.833 174.700 0.014 0.000 1.280 757 T CA -0.344 61.736 62.100 -0.035 0.000 1.558 757 T CB -0.487 68.539 68.868 0.263 0.000 0.929 757 T HN 0.956 nan 8.240 nan 0.000 0.596 758 T N 0.761 115.299 114.554 -0.027 0.000 2.855 758 T HA 0.541 4.891 4.350 0.000 0.000 0.314 758 T C 0.489 175.285 174.700 0.159 0.000 1.077 758 T CA -0.538 61.623 62.100 0.101 0.000 1.095 758 T CB 0.211 69.191 68.868 0.187 0.000 0.987 758 T HN 0.650 nan 8.240 nan 0.000 0.546 759 I N 2.075 122.777 120.570 0.220 0.000 2.901 759 I HA 0.203 4.373 4.170 0.000 0.000 0.289 759 I C -0.426 175.755 176.117 0.106 0.000 1.553 759 I CA -1.146 60.231 61.300 0.128 0.000 0.829 759 I CB -0.014 38.087 38.000 0.169 0.000 1.840 759 I HN 0.713 nan 8.210 nan 0.000 0.606 760 Y N 1.488 121.839 120.300 0.085 0.000 2.219 760 Y HA 0.825 5.375 4.550 0.000 0.000 0.375 760 Y C 0.806 176.749 175.900 0.073 0.000 1.333 760 Y CA -0.899 57.272 58.100 0.119 0.000 1.799 760 Y CB -0.062 38.494 38.460 0.159 0.000 1.611 760 Y HN 0.270 nan 8.280 nan 0.000 0.635 761 G N -0.667 108.268 108.800 0.225 0.000 2.429 761 G HA2 0.286 4.246 3.960 0.000 0.000 0.300 761 G HA3 0.286 4.246 3.960 0.000 0.000 0.300 761 G C -1.953 173.013 174.900 0.110 0.000 1.598 761 G CA -1.459 43.695 45.100 0.090 0.000 0.863 761 G HN 0.572 nan 8.290 nan 0.000 0.614 762 K N 1.804 122.237 120.400 0.056 0.000 2.110 762 K HA 0.120 4.440 4.320 0.000 0.000 0.260 762 K C 0.782 177.378 176.600 -0.007 0.000 1.126 762 K CA -0.471 55.818 56.287 0.004 0.000 1.005 762 K CB 0.726 33.199 32.500 -0.044 0.000 1.336 762 K HN 0.471 nan 8.250 nan 0.000 0.369 763 R N 3.062 123.565 120.500 0.006 0.000 2.446 763 R HA -0.031 4.309 4.340 0.000 0.000 0.325 763 R C -0.017 176.268 176.300 -0.025 0.000 0.997 763 R CA 0.482 56.583 56.100 0.001 0.000 1.010 763 R CB 0.147 30.452 30.300 0.009 0.000 0.946 763 R HN 0.595 nan 8.270 nan 0.000 0.422 764 T N 1.299 115.851 114.554 -0.004 0.000 2.797 764 T HA 0.291 4.641 4.350 0.000 0.000 0.267 764 T C 1.136 175.889 174.700 0.088 0.000 0.986 764 T CA -0.659 61.441 62.100 0.001 0.000 0.999 764 T CB 0.392 69.284 68.868 0.040 0.000 1.508 764 T HN 0.598 nan 8.240 nan 0.000 0.595 765 F N -0.889 118.911 119.950 -0.250 0.000 2.754 765 F HA 0.424 4.952 4.527 0.000 0.000 0.297 765 F C 1.555 177.254 175.800 -0.168 0.000 1.122 765 F CA -0.452 57.402 58.000 -0.244 0.000 1.400 765 F CB -0.215 38.531 39.000 -0.423 0.000 1.117 765 F HN 0.188 nan 8.300 nan 0.000 0.587 766 L N 1.105 122.353 121.223 0.041 0.000 2.492 766 L HA -0.046 4.294 4.340 0.000 0.000 0.223 766 L C 2.332 179.162 176.870 -0.067 0.000 1.132 766 L CA 0.896 55.633 54.840 -0.171 0.000 0.850 766 L CB -0.162 41.905 42.059 0.014 0.000 0.966 766 L HN 0.398 nan 8.230 nan 0.000 0.454 767 S N -2.131 113.559 115.700 -0.016 0.000 2.502 767 S HA 0.003 4.473 4.470 0.000 0.000 0.228 767 S C 1.609 176.194 174.600 -0.024 0.000 1.061 767 S CA -0.130 58.066 58.200 -0.008 0.000 0.935 767 S CB -0.166 63.039 63.200 0.008 0.000 0.809 767 S HN 0.318 nan 8.310 nan 0.000 0.510 768 N N 2.117 120.800 118.700 -0.029 0.000 2.223 768 N HA 0.005 4.745 4.740 0.000 0.000 0.185 768 N C 1.821 177.303 175.510 -0.047 0.000 1.016 768 N CA 0.998 54.028 53.050 -0.033 0.000 0.863 768 N CB -0.331 38.147 38.487 -0.015 0.000 0.983 768 N HN 0.499 nan 8.380 nan 0.000 0.429 769 R N 0.530 120.980 120.500 -0.083 0.000 2.073 769 R HA 0.056 4.396 4.340 0.000 0.000 0.229 769 R C 2.322 178.600 176.300 -0.038 0.000 1.120 769 R CA 0.627 56.676 56.100 -0.086 0.000 0.967 769 R CB -0.008 30.198 30.300 -0.157 0.000 0.862 769 R HN 0.111 nan 8.270 nan 0.000 0.436 770 R N 1.200 121.686 120.500 -0.023 0.000 2.057 770 R HA -0.080 4.260 4.340 0.000 0.000 0.229 770 R C 2.128 178.459 176.300 0.052 0.000 1.136 770 R CA 1.485 57.606 56.100 0.034 0.000 0.952 770 R CB -0.364 29.960 30.300 0.039 0.000 0.848 770 R HN 0.102 nan 8.270 nan 0.000 0.430 771 R N 0.280 120.783 120.500 0.005 0.000 2.117 771 R HA -0.137 4.203 4.340 0.000 0.000 0.243 771 R C 2.030 178.307 176.300 -0.038 0.000 1.143 771 R CA 1.677 57.759 56.100 -0.031 0.000 0.968 771 R CB -0.301 29.971 30.300 -0.047 0.000 0.863 771 R HN 0.298 nan 8.270 nan 0.000 0.444 772 A N 1.177 123.984 122.820 -0.021 0.000 1.902 772 A HA -0.197 4.123 4.320 0.000 0.000 0.217 772 A C 2.193 179.778 177.584 0.000 0.000 1.181 772 A CA 1.514 53.540 52.037 -0.019 0.000 0.623 772 A CB -0.591 18.399 19.000 -0.016 0.000 0.818 772 A HN 0.453 nan 8.150 nan 0.000 0.443 773 R N -0.578 119.949 120.500 0.045 0.000 2.189 773 R HA 0.051 4.391 4.340 0.000 0.000 0.223 773 R C 0.055 176.424 176.300 0.114 0.000 1.092 773 R CA 0.157 56.326 56.100 0.114 0.000 0.989 773 R CB -0.455 29.956 30.300 0.184 0.000 0.876 773 R HN 0.467 nan 8.270 nan 0.000 0.457 774 L N 1.342 122.538 121.223 -0.044 0.000 2.453 774 L HA 0.042 4.382 4.340 0.000 0.000 0.272 774 L C 1.561 178.300 176.870 -0.218 0.000 1.182 774 L CA 0.215 54.847 54.840 -0.346 0.000 0.858 774 L CB 0.774 42.611 42.059 -0.370 0.000 1.120 774 L HN 0.229 nan 8.230 nan 0.000 0.474 775 R N 0.822 121.172 120.500 -0.249 0.000 2.206 775 R HA 0.119 4.459 4.340 0.000 0.000 0.198 775 R C -0.454 175.755 176.300 -0.152 0.000 0.986 775 R CA 0.378 56.394 56.100 -0.139 0.000 1.029 775 R CB 0.515 30.762 30.300 -0.089 0.000 0.966 775 R HN 0.692 nan 8.270 nan 0.000 0.487 776 D N -0.768 119.498 120.400 -0.224 0.000 2.596 776 D HA 0.172 4.812 4.640 0.000 0.000 0.234 776 D C -1.210 174.954 176.300 -0.228 0.000 1.181 776 D CA -0.546 53.345 54.000 -0.182 0.000 0.856 776 D CB 2.822 43.533 40.800 -0.148 0.000 1.498 776 D HN -0.264 nan 8.370 nan 0.000 0.446 777 V N 3.094 122.916 119.914 -0.153 0.000 2.304 777 V HA 0.247 4.367 4.120 0.000 0.000 0.269 777 V C -1.960 174.072 176.094 -0.104 0.000 1.036 777 V CA -1.251 60.968 62.300 -0.135 0.000 0.840 777 V CB 0.861 32.643 31.823 -0.069 0.000 1.036 777 V HN 0.313 nan 8.190 nan 0.000 0.466 778 P HA 0.164 nan 4.420 nan 0.000 0.270 778 P C -0.370 176.984 177.300 0.090 0.000 1.223 778 P CA -0.313 62.734 63.100 -0.088 0.000 0.785 778 P CB 0.839 32.366 31.700 -0.289 0.000 0.923 779 M N 0.769 120.440 119.600 0.117 0.000 2.267 779 M HA 0.337 4.817 4.480 0.000 0.000 0.303 779 M C 0.104 176.507 176.300 0.171 0.000 1.164 779 M CA -0.493 54.881 55.300 0.122 0.000 1.060 779 M CB -0.206 32.434 32.600 0.066 0.000 1.455 779 M HN 0.182 nan 8.290 nan 0.000 0.483 780 L N 1.022 122.269 121.223 0.041 0.000 2.365 780 L HA 0.491 4.831 4.340 0.000 0.000 0.273 780 L C -0.185 176.626 176.870 -0.099 0.000 1.000 780 L CA -0.218 54.565 54.840 -0.096 0.000 0.819 780 L CB 1.060 43.004 42.059 -0.192 0.000 1.284 780 L HN 0.485 nan 8.230 nan 0.000 0.418 781 I N 2.030 122.526 120.570 -0.123 0.000 2.849 781 I HA -0.088 4.082 4.170 0.000 0.000 0.288 781 I C 1.325 177.356 176.117 -0.143 0.000 1.156 781 I CA 0.249 61.487 61.300 -0.103 0.000 1.394 781 I CB -0.097 37.841 38.000 -0.104 0.000 1.462 781 I HN 0.838 nan 8.210 nan 0.000 0.587 782 T N -0.208 114.277 114.554 -0.116 0.000 3.155 782 T HA -0.117 4.233 4.350 0.000 0.000 0.264 782 T C 1.763 176.372 174.700 -0.152 0.000 1.160 782 T CA 0.771 62.771 62.100 -0.166 0.000 1.075 782 T CB -0.543 68.301 68.868 -0.040 0.000 0.921 782 T HN 0.764 nan 8.240 nan 0.000 0.533 783 T N 0.987 115.474 114.554 -0.112 0.000 2.652 783 T HA -0.249 4.101 4.350 0.000 0.000 0.267 783 T C 2.277 176.916 174.700 -0.102 0.000 1.039 783 T CA 2.192 64.244 62.100 -0.081 0.000 1.153 783 T CB -1.676 67.151 68.868 -0.068 0.000 0.863 783 T HN 0.618 nan 8.240 nan 0.000 0.428 784 T N 1.126 115.588 114.554 -0.154 0.000 2.737 784 T HA -0.039 4.311 4.350 0.000 0.000 0.269 784 T C 2.070 176.642 174.700 -0.213 0.000 1.040 784 T CA 1.389 63.390 62.100 -0.165 0.000 1.142 784 T CB -0.908 67.842 68.868 -0.197 0.000 0.861 784 T HN 0.405 nan 8.240 nan 0.000 0.456 785 L N 0.373 121.375 121.223 -0.368 0.000 2.072 785 L HA 0.044 4.384 4.340 0.000 0.000 0.205 785 L C 2.945 179.617 176.870 -0.329 0.000 1.079 785 L CA 0.684 55.168 54.840 -0.594 0.000 0.752 785 L CB -0.395 41.051 42.059 -1.023 0.000 0.906 785 L HN 0.187 nan 8.230 nan 0.000 0.436 786 V N -0.830 118.981 119.914 -0.170 0.000 2.759 786 V HA -0.284 3.836 4.120 0.000 0.000 0.256 786 V C 2.289 178.338 176.094 -0.075 0.000 1.080 786 V CA 1.704 63.978 62.300 -0.044 0.000 1.101 786 V CB -0.734 31.087 31.823 -0.002 0.000 0.698 786 V HN 0.498 nan 8.190 nan 0.000 0.477 787 H N -0.196 118.773 119.070 -0.169 0.000 2.372 787 H HA -0.079 4.477 4.556 0.000 0.000 0.301 787 H C 2.306 177.523 175.328 -0.186 0.000 1.065 787 H CA 1.376 57.311 56.048 -0.188 0.000 1.364 787 H CB 0.102 29.783 29.762 -0.135 0.000 1.406 787 H HN 0.292 nan 8.280 nan 0.000 0.521 788 Q N 1.182 120.905 119.800 -0.127 0.000 1.910 788 Q HA -0.343 3.997 4.340 0.000 0.000 0.241 788 Q C 0.898 176.766 176.000 -0.219 0.000 1.057 788 Q CA 2.392 58.130 55.803 -0.109 0.000 0.898 788 Q CB -0.891 27.870 28.738 0.038 0.000 1.016 788 Q HN 0.796 nan 8.270 nan 0.000 0.424 789 R N 0.860 121.250 120.500 -0.183 0.000 3.516 789 R HA -0.230 4.110 4.340 0.000 0.000 0.271 789 R C -0.722 175.367 176.300 -0.351 0.000 1.098 789 R CA 1.325 57.272 56.100 -0.255 0.000 0.732 789 R CB -2.071 28.052 30.300 -0.295 0.000 1.152 789 R HN 0.567 nan 8.270 nan 0.000 0.455 790 R N -0.424 119.864 120.500 -0.354 0.000 2.651 790 R HA 0.510 4.850 4.340 0.000 0.000 0.278 790 R C -1.336 174.721 176.300 -0.405 0.000 1.010 790 R CA -1.056 54.800 56.100 -0.408 0.000 0.896 790 R CB 0.941 31.137 30.300 -0.173 0.000 1.211 790 R HN -0.043 nan 8.270 nan 0.000 0.456 791 F N 1.738 121.695 119.950 0.011 0.000 2.438 791 F HA 0.291 4.818 4.527 0.000 0.000 0.356 791 F C 1.331 177.113 175.800 -0.030 0.000 1.099 791 F CA -0.099 57.893 58.000 -0.013 0.000 1.185 791 F CB 1.518 40.517 39.000 -0.002 0.000 1.115 791 F HN 0.701 nan 8.300 nan 0.000 0.526 792 T N -1.566 113.049 114.554 0.102 0.000 2.892 792 T HA 0.605 4.955 4.350 0.000 0.000 0.280 792 T C 0.283 174.992 174.700 0.016 0.000 1.004 792 T CA -0.728 61.385 62.100 0.021 0.000 0.950 792 T CB 1.030 69.860 68.868 -0.064 0.000 1.309 792 T HN 0.563 nan 8.240 nan 0.000 0.592 793 T N -0.002 114.544 114.554 -0.012 0.000 2.849 793 T HA 0.506 4.856 4.350 0.000 0.000 0.284 793 T C -2.427 172.240 174.700 -0.054 0.000 1.004 793 T CA -1.502 60.585 62.100 -0.022 0.000 1.021 793 T CB 0.178 69.033 68.868 -0.020 0.000 1.013 793 T HN 0.657 nan 8.240 nan 0.000 0.527 794 P HA 0.209 nan 4.420 nan 0.000 0.270 794 P C -2.373 174.828 177.300 -0.165 0.000 1.223 794 P CA -1.242 61.801 63.100 -0.094 0.000 0.785 794 P CB -0.570 31.088 31.700 -0.070 0.000 0.923 795 P HA -0.007 nan 4.420 nan 0.000 0.271 795 P C 0.647 177.473 177.300 -0.790 0.000 1.244 795 P CA 0.274 62.984 63.100 -0.650 0.000 0.793 795 P CB 0.364 31.470 31.700 -0.991 0.000 0.984 796 T N -3.685 110.217 114.554 -1.087 0.000 3.098 796 T HA 0.201 4.551 4.350 0.000 0.000 0.246 796 T C 0.404 174.807 174.700 -0.496 0.000 0.983 796 T CA -0.135 61.608 62.100 -0.595 0.000 1.094 796 T CB -0.749 67.946 68.868 -0.288 0.000 1.035 796 T HN 0.315 nan 8.240 nan 0.000 0.456 797 F N 2.106 121.751 119.950 -0.507 0.000 2.448 797 F HA -0.101 4.426 4.527 0.000 0.000 0.366 797 F C -0.444 175.231 175.800 -0.208 0.000 1.110 797 F CA 0.068 57.861 58.000 -0.345 0.000 1.228 797 F CB -2.433 36.394 39.000 -0.289 0.000 1.732 797 F HN 0.226 nan 8.300 nan 0.000 0.795 798 T N 3.764 118.294 114.554 -0.039 0.000 2.890 798 T HA 0.373 4.723 4.350 0.000 0.000 0.295 798 T C 0.970 175.584 174.700 -0.143 0.000 0.993 798 T CA -0.929 61.130 62.100 -0.069 0.000 0.979 798 T CB 1.947 70.801 68.868 -0.023 0.000 0.967 798 T HN 0.210 nan 8.240 nan 0.000 0.441 799 L N 1.822 122.858 121.223 -0.311 0.000 2.103 799 L HA -0.047 4.293 4.340 0.000 0.000 0.215 799 L C 0.366 176.776 176.870 -0.767 0.000 1.080 799 L CA 1.979 56.458 54.840 -0.602 0.000 0.764 799 L CB -1.057 40.462 42.059 -0.901 0.000 0.890 799 L HN 0.549 nan 8.230 nan 0.000 0.435 800 F N -1.409 118.516 119.950 -0.041 0.000 2.561 800 F HA 0.385 4.912 4.527 0.000 0.000 0.321 800 F C 0.943 176.757 175.800 0.023 0.000 1.065 800 F CA -1.147 56.856 58.000 0.005 0.000 0.934 800 F CB 1.210 40.227 39.000 0.028 0.000 1.215 800 F HN -0.234 nan 8.300 nan 0.000 0.471 801 S N -0.312 115.531 115.700 0.238 0.000 2.641 801 S HA 0.250 4.720 4.470 0.000 0.000 0.261 801 S C 0.959 175.661 174.600 0.170 0.000 1.257 801 S CA -0.001 58.292 58.200 0.154 0.000 0.983 801 S CB 1.020 64.292 63.200 0.121 0.000 0.990 801 S HN 0.692 nan 8.310 nan 0.000 0.572 802 S N -0.579 115.197 115.700 0.127 0.000 2.439 802 S HA 0.120 4.590 4.470 0.000 0.000 0.224 802 S C -0.083 174.582 174.600 0.108 0.000 1.029 802 S CA -0.122 58.155 58.200 0.128 0.000 0.946 802 S CB -0.609 62.655 63.200 0.106 0.000 0.797 802 S HN 0.777 nan 8.310 nan 0.000 0.504 803 E N 1.689 121.942 120.200 0.088 0.000 2.222 803 E HA 0.714 5.064 4.350 0.000 0.000 0.272 803 E C -0.701 175.939 176.600 0.066 0.000 0.982 803 E CA -0.610 55.831 56.400 0.067 0.000 0.842 803 E CB 0.907 30.638 29.700 0.053 0.000 1.144 803 E HN 0.323 nan 8.360 nan 0.000 0.397 804 A N 1.965 124.815 122.820 0.050 0.000 2.491 804 A HA 0.341 4.661 4.320 0.000 0.000 0.261 804 A C 0.504 178.114 177.584 0.043 0.000 1.101 804 A CA -0.678 51.386 52.037 0.045 0.000 0.772 804 A CB -0.478 18.541 19.000 0.031 0.000 1.043 804 A HN 0.645 nan 8.150 nan 0.000 0.501 805 V N 1.280 121.224 119.914 0.050 0.000 3.083 805 V HA 0.187 4.307 4.120 0.000 0.000 0.303 805 V C -2.333 173.771 176.094 0.017 0.000 1.151 805 V CA -1.317 61.006 62.300 0.039 0.000 1.275 805 V CB -0.683 31.167 31.823 0.046 0.000 0.950 805 V HN 0.741 nan 8.190 nan 0.000 0.506 806 P HA 0.189 nan 4.420 nan 0.000 0.268 806 P C 1.045 178.313 177.300 -0.052 0.000 1.204 806 P CA -0.142 62.954 63.100 -0.007 0.000 0.768 806 P CB 0.837 32.539 31.700 0.002 0.000 0.842 807 V N 2.514 122.395 119.914 -0.055 0.000 2.428 807 V HA -0.300 3.820 4.120 0.000 0.000 0.255 807 V C 2.028 177.942 176.094 -0.301 0.000 1.080 807 V CA 2.587 64.817 62.300 -0.117 0.000 1.083 807 V CB -1.463 30.332 31.823 -0.047 0.000 0.665 807 V HN 0.673 nan 8.190 nan 0.000 0.461 808 T N -0.201 114.180 114.554 -0.289 0.000 2.821 808 T HA -0.166 4.184 4.350 0.000 0.000 0.267 808 T C 2.014 176.539 174.700 -0.292 0.000 1.046 808 T CA 1.954 63.792 62.100 -0.438 0.000 1.139 808 T CB -0.387 68.385 68.868 -0.159 0.000 0.871 808 T HN 0.827 nan 8.240 nan 0.000 0.454 809 T N 1.163 115.623 114.554 -0.157 0.000 2.857 809 T HA 0.104 4.454 4.350 0.000 0.000 0.266 809 T C 2.035 176.639 174.700 -0.160 0.000 1.048 809 T CA 0.496 62.535 62.100 -0.102 0.000 1.139 809 T CB -0.711 68.138 68.868 -0.032 0.000 0.874 809 T HN 0.273 nan 8.240 nan 0.000 0.455 810 L N 0.742 121.855 121.223 -0.183 0.000 2.187 810 L HA -0.056 4.284 4.340 0.000 0.000 0.213 810 L C 2.781 179.362 176.870 -0.483 0.000 1.100 810 L CA 0.811 55.522 54.840 -0.215 0.000 0.765 810 L CB -0.488 41.481 42.059 -0.149 0.000 0.904 810 L HN 0.231 nan 8.230 nan 0.000 0.437 811 V N -0.687 118.916 119.914 -0.519 0.000 2.446 811 V HA -0.097 4.023 4.120 0.000 0.000 0.244 811 V C 2.631 178.273 176.094 -0.754 0.000 1.039 811 V CA 1.420 63.303 62.300 -0.695 0.000 1.045 811 V CB -0.461 30.973 31.823 -0.649 0.000 0.681 811 V HN 0.414 nan 8.190 nan 0.000 0.459 812 A N 0.492 123.082 122.820 -0.383 0.000 1.877 812 A HA -0.091 4.229 4.320 0.000 0.000 0.216 812 A C 2.203 179.653 177.584 -0.223 0.000 1.186 812 A CA 1.902 53.855 52.037 -0.138 0.000 0.620 812 A CB -0.812 18.228 19.000 0.067 0.000 0.822 812 A HN 0.595 nan 8.150 nan 0.000 0.443 813 A N -0.713 121.989 122.820 -0.197 0.000 2.258 813 A HA 0.337 4.657 4.320 0.000 0.000 0.206 813 A C 1.746 179.208 177.584 -0.204 0.000 1.222 813 A CA 1.125 53.108 52.037 -0.091 0.000 0.822 813 A CB -0.902 18.154 19.000 0.093 0.000 0.804 813 A HN 0.714 nan 8.150 nan 0.000 0.483 814 G N -2.580 105.926 108.800 -0.490 0.000 3.020 814 G HA2 0.246 4.206 3.960 0.000 0.000 0.217 814 G HA3 0.246 4.206 3.960 0.000 0.000 0.217 814 G C 0.935 175.682 174.900 -0.256 0.000 1.144 814 G CA 0.350 45.088 45.100 -0.604 0.000 0.760 814 G HN 0.475 nan 8.290 nan 0.000 0.548 815 Y N -0.020 120.215 120.300 -0.108 0.000 2.581 815 Y HA 0.238 4.788 4.550 0.000 0.000 0.271 815 Y C 2.165 178.024 175.900 -0.068 0.000 1.100 815 Y CA -0.783 57.307 58.100 -0.016 0.000 1.281 815 Y CB -0.469 37.984 38.460 -0.012 0.000 1.237 815 Y HN 0.149 nan 8.280 nan 0.000 0.514 816 N N 0.052 118.700 118.700 -0.087 0.000 2.519 816 N HA -0.126 4.614 4.740 0.000 0.000 0.186 816 N C 1.557 176.655 175.510 -0.687 0.000 1.062 816 N CA 1.154 54.028 53.050 -0.294 0.000 0.910 816 N CB 0.048 38.370 38.487 -0.275 0.000 0.958 816 N HN 0.305 nan 8.380 nan 0.000 0.445 817 S N -0.428 114.889 115.700 -0.639 0.000 2.475 817 S HA 0.002 4.472 4.470 0.000 0.000 0.224 817 S C 1.608 176.166 174.600 -0.069 0.000 1.042 817 S CA -0.392 57.494 58.200 -0.524 0.000 0.935 817 S CB -0.352 62.766 63.200 -0.136 0.000 0.801 817 S HN 0.348 nan 8.310 nan 0.000 0.509 818 F N 2.789 122.682 119.950 -0.095 0.000 2.149 818 F HA 0.307 4.834 4.527 0.000 0.000 0.294 818 F C 1.800 177.474 175.800 -0.211 0.000 1.095 818 F CA 0.955 58.926 58.000 -0.049 0.000 1.276 818 F CB -0.325 38.711 39.000 0.061 0.000 1.023 818 F HN 0.095 nan 8.300 nan 0.000 0.480 819 I N -0.166 120.317 120.570 -0.145 0.000 2.394 819 I HA -0.252 3.918 4.170 0.000 0.000 0.251 819 I C 2.702 178.575 176.117 -0.406 0.000 1.136 819 I CA 1.282 62.339 61.300 -0.406 0.000 1.425 819 I CB -0.701 37.206 38.000 -0.156 0.000 1.079 819 I HN 0.323 nan 8.210 nan 0.000 0.425 820 S N 0.796 116.339 115.700 -0.262 0.000 2.356 820 S HA -0.285 4.185 4.470 0.000 0.000 0.223 820 S C 2.043 176.534 174.600 -0.183 0.000 1.032 820 S CA 1.942 60.039 58.200 -0.173 0.000 1.005 820 S CB -0.241 62.919 63.200 -0.067 0.000 0.867 820 S HN 0.533 nan 8.310 nan 0.000 0.449 821 E N -0.607 119.463 120.200 -0.218 0.000 2.208 821 E HA -0.117 4.233 4.350 0.000 0.000 0.193 821 E C 2.193 178.621 176.600 -0.287 0.000 0.988 821 E CA 0.781 57.068 56.400 -0.188 0.000 0.828 821 E CB -0.051 29.570 29.700 -0.133 0.000 0.763 821 E HN 0.498 nan 8.360 nan 0.000 0.478 822 Q N -0.194 119.274 119.800 -0.554 0.000 2.062 822 Q HA -0.052 4.288 4.340 0.000 0.000 0.196 822 Q C 2.181 177.977 176.000 -0.339 0.000 0.967 822 Q CA 1.562 57.002 55.803 -0.605 0.000 0.832 822 Q CB -0.437 27.465 28.738 -1.393 0.000 0.899 822 Q HN 0.233 nan 8.270 nan 0.000 0.442 823 T N 1.112 115.449 114.554 -0.362 0.000 3.007 823 T HA -0.068 4.282 4.350 0.000 0.000 0.270 823 T C 1.690 176.344 174.700 -0.077 0.000 1.107 823 T CA 0.611 62.619 62.100 -0.154 0.000 1.118 823 T CB -0.045 68.729 68.868 -0.155 0.000 0.889 823 T HN 0.198 nan 8.240 nan 0.000 0.506 824 R N 1.599 122.042 120.500 -0.095 0.000 2.237 824 R HA 0.013 4.353 4.340 0.000 0.000 0.219 824 R C 0.874 177.167 176.300 -0.012 0.000 1.080 824 R CA 0.171 56.243 56.100 -0.046 0.000 0.995 824 R CB -0.081 30.193 30.300 -0.044 0.000 0.875 824 R HN 0.220 nan 8.270 nan 0.000 0.462 825 N N 1.072 119.772 118.700 -0.000 0.000 2.468 825 N HA -0.021 4.719 4.740 0.000 0.000 0.265 825 N C -1.999 173.539 175.510 0.047 0.000 1.199 825 N CA -1.193 51.880 53.050 0.039 0.000 0.928 825 N CB 1.519 40.053 38.487 0.078 0.000 1.059 825 N HN -0.103 nan 8.380 nan 0.000 0.467 826 P HA -0.144 nan 4.420 nan 0.000 0.210 826 P C 0.856 178.186 177.300 0.050 0.000 1.189 826 P CA 1.557 64.682 63.100 0.041 0.000 0.920 826 P CB -0.024 31.698 31.700 0.036 0.000 0.782 827 N N -0.058 118.675 118.700 0.056 0.000 2.503 827 N HA -0.179 4.561 4.740 0.000 0.000 0.189 827 N C 1.420 176.970 175.510 0.066 0.000 1.048 827 N CA 0.925 54.009 53.050 0.057 0.000 0.905 827 N CB -1.495 37.026 38.487 0.057 0.000 0.951 827 N HN 0.055 nan 8.380 nan 0.000 0.446 828 L N -0.538 120.733 121.223 0.080 0.000 2.079 828 L HA -0.055 4.285 4.340 0.000 0.000 0.210 828 L C 1.511 178.432 176.870 0.085 0.000 1.081 828 L CA 1.304 56.202 54.840 0.098 0.000 0.752 828 L CB -1.022 41.117 42.059 0.133 0.000 0.896 828 L HN 0.547 nan 8.230 nan 0.000 0.433 829 A N -1.552 121.312 122.820 0.072 0.000 5.382 829 A HA -0.408 3.912 4.320 0.000 0.000 0.307 829 A C 0.686 178.325 177.584 0.093 0.000 1.937 829 A CA 1.133 53.218 52.037 0.080 0.000 0.715 829 A CB -1.783 17.270 19.000 0.087 0.000 1.293 829 A HN 0.567 nan 8.150 nan 0.000 0.374 830 H N 0.675 119.760 119.070 0.025 0.000 2.819 830 H HA 0.523 5.079 4.556 0.000 0.000 0.303 830 H C -0.605 174.740 175.328 0.029 0.000 1.058 830 H CA 0.877 56.937 56.048 0.021 0.000 1.471 830 H CB 0.695 30.463 29.762 0.009 0.000 1.480 830 H HN 0.913 nan 8.280 nan 0.000 0.517 831 L N 6.883 127.945 121.223 -0.268 0.000 2.381 831 L HA 0.482 4.822 4.340 0.000 0.000 0.268 831 L C -1.620 175.148 176.870 -0.170 0.000 0.997 831 L CA -0.800 53.985 54.840 -0.091 0.000 0.818 831 L CB 1.788 43.850 42.059 0.005 0.000 1.310 831 L HN 0.624 nan 8.230 nan 0.000 0.416 832 L N 0.893 122.107 121.223 -0.015 0.000 2.333 832 L HA 0.730 5.070 4.340 0.000 0.000 0.263 832 L C -1.418 175.460 176.870 0.013 0.000 1.014 832 L CA -0.592 54.240 54.840 -0.014 0.000 0.820 832 L CB 2.154 44.234 42.059 0.036 0.000 1.352 832 L HN 0.650 nan 8.230 nan 0.000 0.421 833 D N 3.032 123.427 120.400 -0.009 0.000 2.462 833 D HA 0.325 4.965 4.640 0.000 0.000 0.245 833 D C -0.780 175.495 176.300 -0.041 0.000 1.122 833 D CA -0.356 53.641 54.000 -0.005 0.000 0.864 833 D CB 1.691 42.489 40.800 -0.003 0.000 1.098 833 D HN 0.605 nan 8.370 nan 0.000 0.541 834 L N 3.141 124.304 121.223 -0.100 0.000 2.515 834 L HA 0.269 4.609 4.340 0.000 0.000 0.281 834 L C 1.377 178.165 176.870 -0.137 0.000 1.131 834 L CA -0.107 54.567 54.840 -0.278 0.000 0.905 834 L CB 0.252 41.893 42.059 -0.697 0.000 1.246 834 L HN 0.737 nan 8.230 nan 0.000 0.463 835 G N 1.669 110.500 108.800 0.051 0.000 2.248 835 G HA2 -0.245 3.715 3.960 0.000 0.000 0.252 835 G HA3 -0.245 3.715 3.960 0.000 0.000 0.252 835 G C 0.271 175.224 174.900 0.089 0.000 1.085 835 G CA 0.258 45.450 45.100 0.154 0.000 0.845 835 G HN 0.602 nan 8.290 nan 0.000 0.494 836 T N -0.429 114.152 114.554 0.045 0.000 2.680 836 T HA 0.510 4.860 4.350 0.000 0.000 0.314 836 T C 1.710 176.442 174.700 0.053 0.000 1.045 836 T CA 1.127 63.251 62.100 0.040 0.000 1.025 836 T CB 0.111 68.999 68.868 0.034 0.000 1.000 836 T HN 1.487 nan 8.240 nan 0.000 0.535 837 G N 1.375 110.188 108.800 0.023 0.000 2.712 837 G HA2 0.254 4.214 3.960 0.000 0.000 0.258 837 G HA3 0.254 4.214 3.960 0.000 0.000 0.258 837 G C -1.221 173.712 174.900 0.054 0.000 1.241 837 G CA -0.525 44.587 45.100 0.020 0.000 0.923 837 G HN 0.606 nan 8.290 nan 0.000 0.548 838 P HA -0.076 nan 4.420 nan 0.000 0.218 838 P C 0.309 177.633 177.300 0.040 0.000 1.148 838 P CA 1.294 64.429 63.100 0.058 0.000 0.822 838 P CB 0.043 31.762 31.700 0.032 0.000 0.784 839 E N -0.298 119.914 120.200 0.019 0.000 2.145 839 E HA 0.356 4.706 4.350 0.000 0.000 0.262 839 E C -0.723 175.875 176.600 -0.004 0.000 0.883 839 E CA -1.137 55.265 56.400 0.003 0.000 0.748 839 E CB 0.300 30.012 29.700 0.019 0.000 1.140 839 E HN -0.083 nan 8.360 nan 0.000 0.417 840 C N 3.531 122.822 119.300 -0.016 0.000 2.250 840 C HA -0.011 4.449 4.460 0.000 0.000 0.405 840 C C 1.425 176.386 174.990 -0.049 0.000 1.516 840 C CA -0.119 58.878 59.018 -0.034 0.000 1.412 840 C CB -1.505 26.178 27.740 -0.095 0.000 2.534 840 C HN 0.823 nan 8.230 nan 0.000 0.621 841 R N 2.629 123.099 120.500 -0.050 0.000 2.312 841 R HA 0.232 4.572 4.340 0.000 0.000 0.205 841 R C 1.389 177.650 176.300 -0.064 0.000 0.904 841 R CA 0.607 56.671 56.100 -0.060 0.000 1.052 841 R CB -0.407 29.837 30.300 -0.093 0.000 1.014 841 R HN 0.853 nan 8.270 nan 0.000 0.503 842 I N -0.158 120.373 120.570 -0.065 0.000 3.059 842 I HA -0.019 4.151 4.170 0.000 0.000 0.270 842 I C 0.882 176.954 176.117 -0.076 0.000 1.238 842 I CA 0.430 61.691 61.300 -0.066 0.000 1.478 842 I CB 0.233 38.201 38.000 -0.053 0.000 1.097 842 I HN 0.184 nan 8.210 nan 0.000 0.455 843 L N 0.119 121.290 121.223 -0.088 0.000 2.353 843 L HA -0.155 4.185 4.340 0.000 0.000 0.220 843 L C 2.262 179.096 176.870 -0.059 0.000 1.133 843 L CA 0.884 55.667 54.840 -0.095 0.000 0.798 843 L CB -0.424 41.547 42.059 -0.145 0.000 0.922 843 L HN 0.224 nan 8.230 nan 0.000 0.445 844 S N -0.303 115.363 115.700 -0.055 0.000 2.458 844 S HA 0.049 4.519 4.470 0.000 0.000 0.223 844 S C 1.248 175.795 174.600 -0.089 0.000 1.019 844 S CA 0.392 58.553 58.200 -0.065 0.000 0.937 844 S CB 0.100 63.269 63.200 -0.051 0.000 0.788 844 S HN 0.169 nan 8.310 nan 0.000 0.511 845 L N 1.408 122.585 121.223 -0.077 0.000 2.688 845 L HA 0.467 4.807 4.340 0.000 0.000 0.234 845 L C -0.212 176.600 176.870 -0.096 0.000 1.192 845 L CA 0.480 55.268 54.840 -0.086 0.000 0.984 845 L CB -0.950 41.050 42.059 -0.097 0.000 1.232 845 L HN 0.192 nan 8.230 nan 0.000 0.465 846 I N -0.499 120.021 120.570 -0.083 0.000 2.686 846 I HA 0.364 4.534 4.170 0.000 0.000 0.295 846 I C -2.356 173.726 176.117 -0.057 0.000 1.114 846 I CA -1.997 59.259 61.300 -0.074 0.000 1.038 846 I CB 2.651 40.609 38.000 -0.069 0.000 1.238 846 I HN -0.152 nan 8.210 nan 0.000 0.420 847 P HA 0.099 nan 4.420 nan 0.000 0.263 847 P C -2.125 175.162 177.300 -0.021 0.000 1.195 847 P CA -0.847 62.235 63.100 -0.030 0.000 0.762 847 P CB 0.106 31.794 31.700 -0.020 0.000 0.799 848 P HA -0.209 nan 4.420 nan 0.000 0.228 848 P C 0.999 178.302 177.300 0.006 0.000 1.143 848 P CA 1.572 64.671 63.100 -0.001 0.000 0.771 848 P CB -0.282 31.418 31.700 -0.000 0.000 0.764 849 T N -5.274 109.281 114.554 0.001 0.000 3.034 849 T HA 0.112 4.462 4.350 0.000 0.000 0.248 849 T C 0.682 175.385 174.700 0.005 0.000 1.040 849 T CA -0.296 61.808 62.100 0.007 0.000 1.107 849 T CB -0.771 68.102 68.868 0.009 0.000 0.932 849 T HN 0.015 nan 8.240 nan 0.000 0.474 850 L N 2.428 123.649 121.223 -0.004 0.000 2.485 850 L HA 0.210 4.550 4.340 0.000 0.000 0.275 850 L C 0.270 177.121 176.870 -0.032 0.000 1.207 850 L CA -0.380 54.453 54.840 -0.011 0.000 0.855 850 L CB 0.706 42.754 42.059 -0.018 0.000 1.114 850 L HN 0.304 nan 8.230 nan 0.000 0.485 851 Q N 4.856 124.633 119.800 -0.039 0.000 2.406 851 Q HA 0.327 4.667 4.340 0.000 0.000 0.242 851 Q C -1.212 174.621 176.000 -0.277 0.000 1.036 851 Q CA -0.424 55.331 55.803 -0.080 0.000 0.904 851 Q CB 1.339 30.095 28.738 0.030 0.000 1.244 851 Q HN 0.632 nan 8.270 nan 0.000 0.478 852 V N 3.778 123.555 119.914 -0.227 0.000 2.881 852 V HA 0.689 4.809 4.120 0.000 0.000 0.316 852 V C -0.562 175.401 176.094 -0.218 0.000 1.070 852 V CA -0.068 62.068 62.300 -0.272 0.000 0.976 852 V CB 2.272 34.002 31.823 -0.155 0.000 1.038 852 V HN 0.888 nan 8.190 nan 0.000 0.446 853 T N 4.816 119.258 114.554 -0.186 0.000 3.133 853 T HA 0.422 4.772 4.350 0.000 0.000 0.368 853 T C -0.401 174.264 174.700 -0.058 0.000 1.190 853 T CA -0.686 61.367 62.100 -0.078 0.000 1.282 853 T CB 0.364 69.227 68.868 -0.007 0.000 1.042 853 T HN 0.821 nan 8.240 nan 0.000 0.536 854 M N 2.100 121.677 119.600 -0.039 0.000 2.248 854 M HA 0.572 5.052 4.480 0.000 0.000 0.337 854 M C -0.109 176.103 176.300 -0.147 0.000 1.121 854 M CA -0.292 54.992 55.300 -0.027 0.000 1.155 854 M CB 0.272 32.895 32.600 0.038 0.000 1.514 854 M HN 0.667 nan 8.290 nan 0.000 0.452 855 S N 0.459 116.055 115.700 -0.175 0.000 2.569 855 S HA 0.818 5.288 4.470 0.000 0.000 0.280 855 S C -1.505 172.967 174.600 -0.214 0.000 1.111 855 S CA -0.810 57.174 58.200 -0.361 0.000 0.887 855 S CB 2.709 65.784 63.200 -0.209 0.000 1.095 855 S HN 0.859 nan 8.310 nan 0.000 0.476 856 D N -0.452 119.802 120.400 -0.243 0.000 2.685 856 D HA 0.425 5.065 4.640 0.000 0.000 0.236 856 D C 0.955 177.217 176.300 -0.062 0.000 1.233 856 D CA 0.099 54.060 54.000 -0.064 0.000 0.760 856 D CB 1.597 42.445 40.800 0.081 0.000 1.410 856 D HN 0.510 nan 8.370 nan 0.000 0.439 857 S N 1.911 117.578 115.700 -0.056 0.000 2.353 857 S HA -0.094 4.376 4.470 0.000 0.000 0.222 857 S C 0.932 175.546 174.600 0.023 0.000 1.035 857 S CA 0.536 58.709 58.200 -0.044 0.000 1.025 857 S CB -0.424 62.747 63.200 -0.049 0.000 0.902 857 S HN 0.538 nan 8.310 nan 0.000 0.440 858 R N 2.518 123.046 120.500 0.047 0.000 2.827 858 R HA 0.359 4.699 4.340 0.000 0.000 0.269 858 R C -2.728 173.652 176.300 0.133 0.000 1.048 858 R CA -1.485 54.656 56.100 0.068 0.000 1.173 858 R CB -0.556 29.777 30.300 0.054 0.000 1.070 858 R HN 0.277 nan 8.270 nan 0.000 0.498 859 P HA 0.040 nan 4.420 nan 0.000 0.279 859 P C -0.488 176.808 177.300 -0.007 0.000 1.239 859 P CA -0.505 62.652 63.100 0.096 0.000 0.789 859 P CB 0.654 32.378 31.700 0.041 0.000 0.933 860 C N 3.052 122.180 119.300 -0.288 0.000 2.634 860 C HA 0.264 4.724 4.460 0.000 0.000 0.418 860 C C 1.999 176.869 174.990 -0.200 0.000 1.373 860 C CA 0.472 59.210 59.018 -0.466 0.000 1.756 860 C CB -1.276 25.724 27.740 -1.234 0.000 2.589 860 C HN 0.744 nan 8.230 nan 0.000 0.602 861 A N 4.207 126.977 122.820 -0.083 0.000 2.014 861 A HA 0.022 4.342 4.320 0.000 0.000 0.218 861 A C 0.914 178.577 177.584 0.131 0.000 1.163 861 A CA 0.982 53.029 52.037 0.018 0.000 0.652 861 A CB -0.184 18.837 19.000 0.035 0.000 0.808 861 A HN 0.938 nan 8.150 nan 0.000 0.449 862 E N -0.389 119.858 120.200 0.078 0.000 2.216 862 E HA 0.380 4.730 4.350 0.000 0.000 0.279 862 E C -1.036 175.556 176.600 -0.013 0.000 0.997 862 E CA -1.003 55.451 56.400 0.090 0.000 0.817 862 E CB 1.399 31.148 29.700 0.083 0.000 1.096 862 E HN 0.190 nan 8.360 nan 0.000 0.393 863 L N 4.325 125.490 121.223 -0.097 0.000 2.774 863 L HA -0.074 4.266 4.340 0.000 0.000 0.279 863 L C 0.843 177.718 176.870 0.010 0.000 1.137 863 L CA 0.351 55.156 54.840 -0.058 0.000 1.021 863 L CB -0.063 41.938 42.059 -0.097 0.000 1.366 863 L HN 0.706 nan 8.230 nan 0.000 0.471 864 M N 2.936 122.547 119.600 0.019 0.000 2.426 864 M HA -0.198 4.282 4.480 0.000 0.000 0.261 864 M C 1.952 178.344 176.300 0.154 0.000 1.068 864 M CA 1.534 56.894 55.300 0.101 0.000 1.066 864 M CB -1.673 30.919 32.600 -0.013 0.000 1.399 864 M HN 0.790 nan 8.290 nan 0.000 0.449 865 A N 0.156 123.011 122.820 0.058 0.000 1.930 865 A HA -0.106 4.214 4.320 0.000 0.000 0.217 865 A C 2.349 179.923 177.584 -0.016 0.000 1.175 865 A CA 1.873 53.925 52.037 0.025 0.000 0.627 865 A CB -0.776 18.221 19.000 -0.004 0.000 0.815 865 A HN 0.603 nan 8.150 nan 0.000 0.443 866 S N -0.773 114.861 115.700 -0.110 0.000 2.442 866 S HA 0.006 4.476 4.470 0.000 0.000 0.236 866 S C 0.386 174.771 174.600 -0.358 0.000 1.007 866 S CA 0.250 58.277 58.200 -0.289 0.000 0.965 866 S CB -0.629 62.275 63.200 -0.492 0.000 0.773 866 S HN 0.261 nan 8.310 nan 0.000 0.504 867 F N 2.596 122.498 119.950 -0.080 0.000 2.379 867 F HA 0.427 4.954 4.527 0.000 0.000 0.332 867 F C 0.584 176.363 175.800 -0.035 0.000 1.096 867 F CA -1.549 56.416 58.000 -0.058 0.000 1.105 867 F CB 0.367 39.333 39.000 -0.056 0.000 1.189 867 F HN -0.020 nan 8.300 nan 0.000 0.515 868 D N 5.147 125.633 120.400 0.143 0.000 2.434 868 D HA 0.011 4.651 4.640 0.000 0.000 0.252 868 D C -1.393 174.964 176.300 0.095 0.000 1.185 868 D CA -1.719 52.331 54.000 0.083 0.000 0.886 868 D CB 0.912 41.747 40.800 0.058 0.000 1.148 868 D HN 0.146 nan 8.370 nan 0.000 0.483 869 P HA -0.294 nan 4.420 nan 0.000 0.216 869 P C 1.123 178.460 177.300 0.061 0.000 1.157 869 P CA 1.910 65.051 63.100 0.068 0.000 0.880 869 P CB 0.000 31.732 31.700 0.052 0.000 0.791 870 A N -0.436 122.416 122.820 0.053 0.000 1.892 870 A HA -0.182 4.138 4.320 0.000 0.000 0.218 870 A C 2.307 179.927 177.584 0.060 0.000 1.188 870 A CA 1.854 53.923 52.037 0.053 0.000 0.631 870 A CB -1.527 17.498 19.000 0.043 0.000 0.822 870 A HN 0.135 nan 8.150 nan 0.000 0.447 871 L N -0.363 120.891 121.223 0.053 0.000 2.131 871 L HA 0.057 4.397 4.340 0.000 0.000 0.206 871 L C 1.384 178.260 176.870 0.009 0.000 1.087 871 L CA 1.924 56.786 54.840 0.037 0.000 0.767 871 L CB -0.413 41.672 42.059 0.043 0.000 0.917 871 L HN 0.578 nan 8.230 nan 0.000 0.441 872 T N -2.292 112.275 114.554 0.020 0.000 2.841 872 T HA 0.827 5.177 4.350 0.000 0.000 0.285 872 T C -0.506 174.197 174.700 0.006 0.000 0.991 872 T CA -0.467 61.612 62.100 -0.035 0.000 0.966 872 T CB 2.032 70.820 68.868 -0.133 0.000 0.962 872 T HN 0.123 nan 8.240 nan 0.000 0.438 873 A N 2.926 125.751 122.820 0.008 0.000 2.380 873 A HA 0.804 5.124 4.320 0.000 0.000 0.315 873 A C -1.657 175.982 177.584 0.091 0.000 1.101 873 A CA -1.021 51.052 52.037 0.059 0.000 0.771 873 A CB 1.475 20.517 19.000 0.070 0.000 1.287 873 A HN 1.023 nan 8.150 nan 0.000 0.436 874 Y N 1.446 121.738 120.300 -0.013 0.000 2.346 874 Y HA 0.549 5.099 4.550 0.000 0.000 0.332 874 Y C -1.287 174.630 175.900 0.028 0.000 0.985 874 Y CA -0.588 57.507 58.100 -0.008 0.000 1.112 874 Y CB 1.854 40.299 38.460 -0.026 0.000 1.170 874 Y HN 0.502 nan 8.280 nan 0.000 0.447 875 V N 6.526 126.121 119.914 -0.532 0.000 2.417 875 V HA 0.400 4.520 4.120 0.000 0.000 0.291 875 V C -0.390 175.442 176.094 -0.436 0.000 1.024 875 V CA -0.754 61.382 62.300 -0.274 0.000 0.861 875 V CB 1.518 33.353 31.823 0.020 0.000 0.985 875 V HN 0.774 nan 8.190 nan 0.000 0.436 876 Q N 1.896 121.597 119.800 -0.166 0.000 2.212 876 Q HA 0.706 5.046 4.340 0.000 0.000 0.238 876 Q C 0.470 176.440 176.000 -0.049 0.000 0.955 876 Q CA 0.268 56.019 55.803 -0.086 0.000 0.906 876 Q CB 1.843 30.634 28.738 0.088 0.000 1.215 876 Q HN 1.179 nan 8.270 nan 0.000 0.478 877 G N 1.506 110.254 108.800 -0.086 0.000 2.663 877 G HA2 -0.137 3.823 3.960 0.000 0.000 0.686 877 G HA3 -0.137 3.823 3.960 0.000 0.000 0.686 877 G C -1.299 173.409 174.900 -0.319 0.000 1.246 877 G CA -0.906 44.129 45.100 -0.108 0.000 0.795 877 G HN 0.571 nan 8.290 nan 0.000 0.627 878 D N -0.235 119.991 120.400 -0.291 0.000 2.354 878 D HA 0.402 5.042 4.640 0.000 0.000 0.247 878 D C 1.351 177.286 176.300 -0.609 0.000 1.138 878 D CA 0.466 54.202 54.000 -0.440 0.000 0.958 878 D CB 0.611 41.217 40.800 -0.324 0.000 1.144 878 D HN 0.586 nan 8.370 nan 0.000 0.458 879 Y N -1.251 118.767 120.300 -0.470 0.000 2.500 879 Y HA 0.159 4.709 4.550 0.000 0.000 0.270 879 Y C 2.005 178.184 175.900 0.465 0.000 1.134 879 Y CA -0.071 57.957 58.100 -0.120 0.000 1.293 879 Y CB -0.234 38.221 38.460 -0.008 0.000 1.063 879 Y HN 0.182 nan 8.280 nan 0.000 0.534 880 S N 0.822 116.376 115.700 -0.244 0.000 2.399 880 S HA -0.103 4.367 4.470 0.000 0.000 0.231 880 S C 1.146 175.790 174.600 0.073 0.000 1.022 880 S CA 1.068 59.247 58.200 -0.036 0.000 0.983 880 S CB -0.951 62.216 63.200 -0.055 0.000 0.803 880 S HN 0.673 nan 8.310 nan 0.000 0.480 881 T N -0.544 114.080 114.554 0.117 0.000 2.817 881 T HA 0.692 5.042 4.350 0.000 0.000 0.293 881 T C 1.206 176.084 174.700 0.297 0.000 0.964 881 T CA -0.085 62.103 62.100 0.148 0.000 1.085 881 T CB 1.501 70.432 68.868 0.104 0.000 0.921 881 T HN 0.188 nan 8.240 nan 0.000 0.502 882 A N 3.704 126.640 122.820 0.194 0.000 1.958 882 A HA 0.002 4.322 4.320 0.000 0.000 0.221 882 A C 2.633 180.390 177.584 0.288 0.000 1.178 882 A CA 2.223 54.383 52.037 0.205 0.000 0.642 882 A CB -1.499 17.545 19.000 0.074 0.000 0.816 882 A HN 1.345 nan 8.150 nan 0.000 0.453 883 A N -0.804 122.145 122.820 0.216 0.000 1.859 883 A HA -0.163 4.157 4.320 0.000 0.000 0.217 883 A C 2.023 179.726 177.584 0.198 0.000 1.198 883 A CA 1.894 54.035 52.037 0.172 0.000 0.629 883 A CB -1.018 18.058 19.000 0.126 0.000 0.830 883 A HN 1.040 nan 8.150 nan 0.000 0.446 884 F N -0.566 119.435 119.950 0.085 0.000 2.167 884 F HA -0.251 4.276 4.527 0.000 0.000 0.301 884 F C 1.369 177.076 175.800 -0.155 0.000 1.066 884 F CA 1.631 59.596 58.000 -0.058 0.000 1.285 884 F CB -0.507 38.416 39.000 -0.128 0.000 1.032 884 F HN 0.386 nan 8.300 nan 0.000 0.495 885 W N 1.658 122.845 121.300 -0.187 0.000 3.391 885 W HA 0.125 4.785 4.660 0.000 0.000 0.275 885 W C 0.174 176.559 176.519 -0.223 0.000 1.318 885 W CA -0.201 56.973 57.345 -0.285 0.000 1.665 885 W CB -0.906 28.514 29.460 -0.066 0.000 1.078 885 W HN -0.165 nan 8.180 nan 0.000 0.732 886 N N 0.832 119.480 118.700 -0.088 0.000 2.462 886 N HA 0.280 5.020 4.740 0.000 0.000 0.242 886 N C 0.878 176.317 175.510 -0.118 0.000 1.010 886 N CA 0.757 53.774 53.050 -0.056 0.000 0.939 886 N CB 1.162 39.635 38.487 -0.022 0.000 1.127 886 N HN 0.227 nan 8.380 nan 0.000 0.509 887 G N 1.983 110.726 108.800 -0.093 0.000 2.132 887 G HA2 -0.231 3.729 3.960 0.000 0.000 0.228 887 G HA3 -0.231 3.729 3.960 0.000 0.000 0.228 887 G C 0.084 174.893 174.900 -0.152 0.000 1.000 887 G CA -0.009 45.028 45.100 -0.104 0.000 0.693 887 G HN 0.659 nan 8.290 nan 0.000 0.515 888 I N -0.948 119.503 120.570 -0.198 0.000 2.428 888 I HA 0.683 4.853 4.170 0.000 0.000 0.279 888 I C 0.208 176.248 176.117 -0.128 0.000 1.040 888 I CA -1.261 59.897 61.300 -0.237 0.000 1.171 888 I CB 0.815 38.514 38.000 -0.503 0.000 1.312 888 I HN 0.225 nan 8.210 nan 0.000 0.470 889 R N 4.956 125.386 120.500 -0.118 0.000 2.310 889 R HA 0.801 5.141 4.340 0.000 0.000 0.324 889 R C -1.459 174.757 176.300 -0.141 0.000 0.955 889 R CA -0.389 55.659 56.100 -0.087 0.000 0.830 889 R CB 1.283 31.529 30.300 -0.091 0.000 1.154 889 R HN 0.594 nan 8.270 nan 0.000 0.458 890 C N 2.784 122.091 119.300 0.011 0.000 2.547 890 C HA 0.218 4.678 4.460 0.000 0.000 0.313 890 C C 0.826 175.886 174.990 0.117 0.000 1.191 890 C CA -0.789 58.339 59.018 0.183 0.000 1.474 890 C CB 1.640 29.582 27.740 0.338 0.000 2.081 890 C HN 1.007 nan 8.230 nan 0.000 0.476 891 D N 0.872 121.342 120.400 0.117 0.000 2.371 891 D HA 0.017 4.657 4.640 0.000 0.000 0.221 891 D C 0.523 176.837 176.300 0.023 0.000 0.986 891 D CA 0.620 54.652 54.000 0.053 0.000 0.899 891 D CB 0.060 40.890 40.800 0.050 0.000 0.902 891 D HN 0.615 nan 8.370 nan 0.000 0.530 892 S N -1.505 114.223 115.700 0.047 0.000 2.566 892 S HA 0.727 5.197 4.470 0.000 0.000 0.273 892 S C -0.861 173.756 174.600 0.029 0.000 1.157 892 S CA -0.803 57.379 58.200 -0.028 0.000 0.938 892 S CB 1.597 64.765 63.200 -0.054 0.000 1.087 892 S HN 0.365 nan 8.310 nan 0.000 0.474 893 A N 1.441 124.257 122.820 -0.006 0.000 2.354 893 A HA 0.950 5.270 4.320 0.000 0.000 0.321 893 A C -0.141 177.510 177.584 0.111 0.000 1.125 893 A CA -0.821 51.256 52.037 0.066 0.000 0.799 893 A CB 1.848 20.903 19.000 0.092 0.000 1.293 893 A HN 1.333 nan 8.150 nan 0.000 0.452 894 T N 0.051 114.698 114.554 0.156 0.000 3.050 894 T HA 0.555 4.905 4.350 0.000 0.000 0.310 894 T C -0.593 174.171 174.700 0.106 0.000 0.978 894 T CA 0.358 62.597 62.100 0.231 0.000 1.013 894 T CB 0.571 69.632 68.868 0.322 0.000 1.000 894 T HN 1.567 nan 8.240 nan 0.000 0.447 895 A N 6.542 129.412 122.820 0.083 0.000 3.232 895 A HA 0.577 4.897 4.320 0.000 0.000 0.312 895 A C 0.122 177.746 177.584 0.068 0.000 1.185 895 A CA -0.527 51.523 52.037 0.022 0.000 1.011 895 A CB -0.424 18.562 19.000 -0.023 0.000 1.096 895 A HN 0.854 nan 8.150 nan 0.000 0.543 896 I N 0.202 120.832 120.570 0.100 0.000 2.331 896 I HA 0.341 4.511 4.170 0.000 0.000 0.292 896 I C 0.502 176.787 176.117 0.280 0.000 0.998 896 I CA -0.259 61.119 61.300 0.130 0.000 1.267 896 I CB 0.594 38.660 38.000 0.110 0.000 1.386 896 I HN 0.630 nan 8.210 nan 0.000 0.476 897 F N 3.055 123.015 119.950 0.017 0.000 2.544 897 F HA -0.343 4.184 4.527 0.000 0.000 0.389 897 F C 1.370 177.177 175.800 0.011 0.000 0.588 897 F CA 1.405 59.415 58.000 0.015 0.000 1.461 897 F CB -1.033 37.981 39.000 0.023 0.000 1.995 897 F HN 0.537 nan 8.300 nan 0.000 0.282 898 T N -0.944 113.706 114.554 0.159 0.000 3.138 898 T HA 0.118 4.468 4.350 0.000 0.000 0.245 898 T C 1.416 176.178 174.700 0.103 0.000 0.982 898 T CA 0.510 62.702 62.100 0.154 0.000 1.134 898 T CB -0.159 68.853 68.868 0.240 0.000 1.032 898 T HN 0.134 nan 8.240 nan 0.000 0.442 899 I N 2.745 123.372 120.570 0.094 0.000 2.285 899 I HA -0.198 3.972 4.170 0.000 0.000 0.253 899 I C 2.150 178.172 176.117 -0.158 0.000 1.104 899 I CA 1.600 62.908 61.300 0.012 0.000 1.372 899 I CB -0.685 37.346 38.000 0.051 0.000 1.057 899 I HN 0.324 nan 8.210 nan 0.000 0.431 900 G N -0.783 107.965 108.800 -0.087 0.000 2.408 900 G HA2 -0.064 3.896 3.960 0.000 0.000 0.215 900 G HA3 -0.064 3.896 3.960 0.000 0.000 0.215 900 G C 1.672 176.506 174.900 -0.110 0.000 1.156 900 G CA 0.526 45.575 45.100 -0.084 0.000 0.793 900 G HN 0.605 nan 8.290 nan 0.000 0.535 901 A N 0.902 123.665 122.820 -0.095 0.000 2.014 901 A HA 0.458 4.778 4.320 0.000 0.000 0.218 901 A C 2.674 180.187 177.584 -0.117 0.000 1.163 901 A CA 1.772 53.766 52.037 -0.072 0.000 0.652 901 A CB -0.426 18.557 19.000 -0.029 0.000 0.808 901 A HN 0.588 nan 8.150 nan 0.000 0.449 902 A N 0.021 122.712 122.820 -0.215 0.000 1.897 902 A HA 0.247 4.567 4.320 0.000 0.000 0.215 902 A C 2.465 179.812 177.584 -0.395 0.000 1.181 902 A CA 1.699 53.554 52.037 -0.305 0.000 0.620 902 A CB -0.931 17.843 19.000 -0.378 0.000 0.821 902 A HN 0.959 nan 8.150 nan 0.000 0.443 903 A N -0.141 122.285 122.820 -0.657 0.000 1.933 903 A HA 0.159 4.479 4.320 0.000 0.000 0.218 903 A C 2.437 179.965 177.584 -0.093 0.000 1.175 903 A CA 2.083 53.912 52.037 -0.347 0.000 0.628 903 A CB -0.823 17.997 19.000 -0.299 0.000 0.814 903 A HN 0.968 nan 8.150 nan 0.000 0.444 904 A N -0.385 122.380 122.820 -0.092 0.000 1.898 904 A HA 0.314 4.634 4.320 0.000 0.000 0.214 904 A C 2.492 180.070 177.584 -0.009 0.000 1.183 904 A CA 1.674 53.696 52.037 -0.025 0.000 0.622 904 A CB -0.952 18.047 19.000 -0.001 0.000 0.824 904 A HN 0.945 nan 8.150 nan 0.000 0.444 905 A N 0.073 122.879 122.820 -0.023 0.000 1.858 905 A HA 0.205 4.525 4.320 0.000 0.000 0.216 905 A C 2.265 179.859 177.584 0.016 0.000 1.190 905 A CA 1.840 53.873 52.037 -0.007 0.000 0.617 905 A CB -0.964 18.021 19.000 -0.025 0.000 0.827 905 A HN 1.128 nan 8.150 nan 0.000 0.443 906 A N -0.802 122.046 122.820 0.046 0.000 2.261 906 A HA 0.409 4.729 4.320 0.000 0.000 0.208 906 A C 1.591 179.219 177.584 0.074 0.000 1.223 906 A CA 0.937 53.026 52.037 0.086 0.000 0.833 906 A CB -1.527 17.588 19.000 0.192 0.000 0.830 906 A HN 1.855 nan 8.150 nan 0.000 0.483 907 G N 0.734 109.561 108.800 0.046 0.000 2.441 907 G HA2 -0.240 3.720 3.960 0.000 0.000 0.298 907 G HA3 -0.240 3.720 3.960 0.000 0.000 0.298 907 G C 0.409 175.337 174.900 0.047 0.000 0.949 907 G CA 0.985 46.105 45.100 0.035 0.000 1.072 907 G HN 1.373 nan 8.290 nan 0.000 0.512 908 T N -2.983 111.616 114.554 0.076 0.000 2.926 908 T HA 0.581 4.931 4.350 0.000 0.000 0.289 908 T C -0.238 174.507 174.700 0.074 0.000 1.054 908 T CA -0.284 61.871 62.100 0.093 0.000 1.015 908 T CB 2.325 71.295 68.868 0.170 0.000 1.167 908 T HN 0.214 nan 8.240 nan 0.000 0.526 909 D N 0.535 120.972 120.400 0.061 0.000 2.414 909 D HA 0.031 4.671 4.640 0.000 0.000 0.242 909 D C 1.239 177.577 176.300 0.063 0.000 1.129 909 D CA -0.726 53.291 54.000 0.027 0.000 0.885 909 D CB 0.553 41.360 40.800 0.012 0.000 1.198 909 D HN 0.442 nan 8.370 nan 0.000 0.437 910 L N 4.518 125.743 121.223 0.003 0.000 2.012 910 L HA -0.165 4.175 4.340 0.000 0.000 0.210 910 L C 1.909 178.832 176.870 0.090 0.000 1.073 910 L CA 1.600 56.459 54.840 0.032 0.000 0.748 910 L CB -0.599 41.438 42.059 -0.036 0.000 0.891 910 L HN 0.664 nan 8.230 nan 0.000 0.431 911 I N 0.021 120.609 120.570 0.031 0.000 2.179 911 I HA -0.255 3.915 4.170 0.000 0.000 0.242 911 I C 2.736 178.890 176.117 0.061 0.000 1.088 911 I CA 1.159 62.482 61.300 0.039 0.000 1.357 911 I CB -0.576 37.419 38.000 -0.009 0.000 1.051 911 I HN 0.253 nan 8.210 nan 0.000 0.409 912 A N 0.562 123.414 122.820 0.053 0.000 1.972 912 A HA -0.244 4.076 4.320 0.000 0.000 0.219 912 A C 2.199 179.816 177.584 0.055 0.000 1.169 912 A CA 1.365 53.424 52.037 0.038 0.000 0.635 912 A CB -0.855 18.162 19.000 0.028 0.000 0.810 912 A HN 0.443 nan 8.150 nan 0.000 0.446 913 F N 0.887 120.837 119.950 -0.000 0.000 2.060 913 F HA -0.138 4.389 4.527 0.000 0.000 0.295 913 F C 2.166 177.982 175.800 0.026 0.000 1.120 913 F CA 2.176 60.188 58.000 0.020 0.000 1.205 913 F CB -0.354 38.670 39.000 0.039 0.000 0.986 913 F HN 0.011 nan 8.300 nan 0.000 0.470 914 V N 0.658 120.781 119.914 0.349 0.000 2.867 914 V HA -0.273 3.847 4.120 0.000 0.000 0.260 914 V C 2.221 178.330 176.094 0.026 0.000 1.099 914 V CA 1.809 64.237 62.300 0.213 0.000 1.122 914 V CB -1.152 30.789 31.823 0.197 0.000 0.708 914 V HN 0.498 nan 8.190 nan 0.000 0.490 915 Q N 0.065 119.862 119.800 -0.004 0.000 2.224 915 Q HA -0.228 4.112 4.340 0.000 0.000 0.203 915 Q C 2.269 178.202 176.000 -0.113 0.000 0.970 915 Q CA 1.579 57.353 55.803 -0.048 0.000 0.865 915 Q CB 0.073 28.790 28.738 -0.035 0.000 0.922 915 Q HN 0.780 nan 8.270 nan 0.000 0.445 916 Q N -0.520 119.170 119.800 -0.183 0.000 2.378 916 Q HA 0.040 4.380 4.340 0.000 0.000 0.216 916 Q C 1.764 177.567 176.000 -0.328 0.000 0.892 916 Q CA -0.103 55.547 55.803 -0.255 0.000 0.931 916 Q CB 0.383 28.943 28.738 -0.297 0.000 1.086 916 Q HN 0.440 nan 8.270 nan 0.000 0.528 917 L N 0.246 121.299 121.223 -0.283 0.000 2.102 917 L HA 0.021 4.361 4.340 0.000 0.000 0.202 917 L C 2.119 178.854 176.870 -0.225 0.000 1.076 917 L CA 0.610 55.303 54.840 -0.245 0.000 0.761 917 L CB -0.082 41.986 42.059 0.016 0.000 0.921 917 L HN 0.214 nan 8.230 nan 0.000 0.444 918 I N 1.095 121.592 120.570 -0.122 0.000 2.151 918 I HA -0.228 3.942 4.170 0.000 0.000 0.243 918 I C -0.443 175.583 176.117 -0.152 0.000 1.080 918 I CA 1.516 62.752 61.300 -0.105 0.000 1.339 918 I CB -1.727 36.231 38.000 -0.070 0.000 1.039 918 I HN 0.316 nan 8.210 nan 0.000 0.409 919 P HA -0.156 nan 4.420 nan 0.000 0.220 919 P C 1.417 178.575 177.300 -0.238 0.000 1.148 919 P CA 1.536 64.531 63.100 -0.174 0.000 0.803 919 P CB -0.158 31.445 31.700 -0.161 0.000 0.782 920 R N -0.729 119.528 120.500 -0.405 0.000 2.090 920 R HA 0.029 4.369 4.340 0.000 0.000 0.228 920 R C 2.371 178.439 176.300 -0.388 0.000 1.110 920 R CA 0.815 56.540 56.100 -0.626 0.000 0.973 920 R CB -0.475 28.938 30.300 -1.478 0.000 0.869 920 R HN 0.165 nan 8.270 nan 0.000 0.440 921 I N 0.647 121.064 120.570 -0.255 0.000 2.394 921 I HA -0.173 3.997 4.170 0.000 0.000 0.251 921 I C 2.249 178.365 176.117 -0.003 0.000 1.136 921 I CA 1.161 62.474 61.300 0.022 0.000 1.425 921 I CB -0.667 37.352 38.000 0.032 0.000 1.079 921 I HN -0.043 nan 8.210 nan 0.000 0.425 922 V N 1.331 121.207 119.914 -0.065 0.000 2.307 922 V HA -0.207 3.913 4.120 0.000 0.000 0.245 922 V C 2.800 178.872 176.094 -0.035 0.000 1.045 922 V CA 1.768 64.036 62.300 -0.054 0.000 1.024 922 V CB -1.104 30.676 31.823 -0.072 0.000 0.651 922 V HN 0.434 nan 8.190 nan 0.000 0.449 923 A N 0.098 122.890 122.820 -0.047 0.000 1.929 923 A HA 0.017 4.337 4.320 0.000 0.000 0.216 923 A C 2.332 179.930 177.584 0.023 0.000 1.176 923 A CA 1.570 53.592 52.037 -0.025 0.000 0.628 923 A CB -0.725 18.247 19.000 -0.047 0.000 0.816 923 A HN 0.575 nan 8.150 nan 0.000 0.444 924 A N -1.113 121.755 122.820 0.081 0.000 2.225 924 A HA 0.335 4.655 4.320 0.000 0.000 0.215 924 A C 1.639 179.261 177.584 0.063 0.000 1.164 924 A CA 1.334 53.457 52.037 0.143 0.000 0.710 924 A CB -1.255 17.942 19.000 0.329 0.000 0.780 924 A HN 2.059 nan 8.150 nan 0.000 0.473 925 G N -1.719 107.100 108.800 0.031 0.000 2.545 925 G HA2 0.199 4.159 3.960 0.000 0.000 0.279 925 G HA3 0.199 4.159 3.960 0.000 0.000 0.279 925 G C 0.242 175.150 174.900 0.013 0.000 1.131 925 G CA 0.102 45.206 45.100 0.008 0.000 1.100 925 G HN 1.427 nan 8.290 nan 0.000 0.525 926 G N -0.344 108.459 108.800 0.005 0.000 2.478 926 G HA2 0.736 4.696 3.960 0.000 0.000 0.317 926 G HA3 0.736 4.696 3.960 0.000 0.000 0.317 926 G C 0.822 175.695 174.900 -0.046 0.000 1.259 926 G CA 0.674 45.768 45.100 -0.010 0.000 0.933 926 G HN 1.145 nan 8.290 nan 0.000 0.478 927 T N -0.445 114.075 114.554 -0.056 0.000 2.976 927 T HA 0.175 4.525 4.350 0.000 0.000 0.257 927 T C 0.932 175.555 174.700 -0.129 0.000 1.051 927 T CA 0.197 62.255 62.100 -0.069 0.000 1.141 927 T CB 0.144 68.988 68.868 -0.039 0.000 0.881 927 T HN 0.414 nan 8.240 nan 0.000 0.461 928 R N 0.347 120.722 120.500 -0.209 0.000 2.854 928 R HA 0.802 5.142 4.340 0.000 0.000 0.271 928 R C -0.935 175.044 176.300 -0.534 0.000 0.996 928 R CA -0.791 55.061 56.100 -0.414 0.000 0.961 928 R CB 1.647 31.573 30.300 -0.624 0.000 1.182 928 R HN 0.301 nan 8.270 nan 0.000 0.479 929 M N 1.157 120.335 119.600 -0.703 0.000 2.421 929 M HA 0.439 4.919 4.480 0.000 0.000 0.287 929 M C -1.726 174.210 176.300 -0.607 0.000 1.183 929 M CA -0.502 54.486 55.300 -0.520 0.000 0.916 929 M CB 3.041 35.498 32.600 -0.237 0.000 1.701 929 M HN 0.411 nan 8.290 nan 0.000 0.470 930 W N 5.047 126.349 121.300 0.003 0.000 2.884 930 W HA 0.594 5.254 4.660 0.000 0.000 0.336 930 W C -1.884 174.607 176.519 -0.046 0.000 1.038 930 W CA -0.672 56.656 57.345 -0.028 0.000 1.247 930 W CB 1.309 30.780 29.460 0.020 0.000 1.351 930 W HN 0.478 nan 8.180 nan 0.000 0.446 931 L N 1.897 123.187 121.223 0.112 0.000 2.404 931 L HA 0.390 4.730 4.340 0.000 0.000 0.272 931 L C 0.516 177.395 176.870 0.016 0.000 0.980 931 L CA -0.827 54.050 54.840 0.061 0.000 0.836 931 L CB 2.159 44.252 42.059 0.057 0.000 1.238 931 L HN 0.360 nan 8.230 nan 0.000 0.408 932 Q N 3.984 123.773 119.800 -0.019 0.000 3.107 932 Q HA 0.249 4.590 4.340 0.000 0.000 0.268 932 Q C -0.626 175.389 176.000 0.026 0.000 1.382 932 Q CA -0.215 55.545 55.803 -0.071 0.000 0.927 932 Q CB -0.019 28.659 28.738 -0.100 0.000 1.755 932 Q HN 0.630 nan 8.270 nan 0.000 0.545 933 L N 2.267 123.548 121.223 0.097 0.000 2.452 933 L HA 0.088 4.428 4.340 0.000 0.000 0.267 933 L C 0.590 177.570 176.870 0.184 0.000 1.188 933 L CA 0.006 54.937 54.840 0.151 0.000 0.821 933 L CB 0.457 42.652 42.059 0.226 0.000 1.102 933 L HN 0.582 nan 8.230 nan 0.000 0.470 934 N N 0.224 119.040 118.700 0.192 0.000 2.936 934 N HA 0.230 4.970 4.740 0.000 0.000 0.243 934 N C -0.714 174.911 175.510 0.192 0.000 1.149 934 N CA -0.615 52.608 53.050 0.288 0.000 0.914 934 N CB 0.995 39.784 38.487 0.503 0.000 1.179 934 N HN 0.620 nan 8.380 nan 0.000 0.502 935 T N -1.552 113.077 114.554 0.125 0.000 2.863 935 T HA 0.419 4.769 4.350 0.000 0.000 0.285 935 T C -2.959 171.710 174.700 -0.052 0.000 1.009 935 T CA -2.275 59.830 62.100 0.009 0.000 0.989 935 T CB 2.222 71.081 68.868 -0.015 0.000 1.004 935 T HN 0.179 nan 8.240 nan 0.000 0.455 936 P HA 0.192 nan 4.420 nan 0.000 0.244 936 P C 1.182 178.416 177.300 -0.109 0.000 1.769 936 P CA -0.556 62.487 63.100 -0.095 0.000 1.102 936 P CB -0.152 31.465 31.700 -0.139 0.000 1.937 937 L N -0.419 120.709 121.223 -0.158 0.000 2.131 937 L HA -0.031 4.309 4.340 0.000 0.000 0.206 937 L C 1.679 178.461 176.870 -0.146 0.000 1.087 937 L CA 0.875 55.569 54.840 -0.244 0.000 0.767 937 L CB -1.075 40.680 42.059 -0.507 0.000 0.917 937 L HN -0.028 nan 8.230 nan 0.000 0.441 938 Y N 1.143 121.376 120.300 -0.111 0.000 2.176 938 Y HA 0.134 4.684 4.550 0.000 0.000 0.291 938 Y C 0.825 176.714 175.900 -0.017 0.000 1.122 938 Y CA 0.954 59.029 58.100 -0.042 0.000 1.128 938 Y CB 0.466 38.921 38.460 -0.009 0.000 1.005 938 Y HN 0.323 nan 8.280 nan 0.000 0.509 939 E N -1.967 118.316 120.200 0.139 0.000 2.412 939 E HA 0.238 4.588 4.350 0.000 0.000 0.279 939 E C -0.571 176.033 176.600 0.007 0.000 0.984 939 E CA -0.335 56.109 56.400 0.073 0.000 0.788 939 E CB 1.935 31.695 29.700 0.101 0.000 1.277 939 E HN -0.285 nan 8.360 nan 0.000 0.455 940 V N 0.566 120.476 119.914 -0.006 0.000 3.646 940 V HA -0.006 4.114 4.120 0.000 0.000 0.277 940 V C 0.726 176.795 176.094 -0.042 0.000 1.274 940 V CA 0.527 62.806 62.300 -0.034 0.000 1.164 940 V CB 0.269 32.088 31.823 -0.007 0.000 0.926 940 V HN 0.533 nan 8.190 nan 0.000 0.442 941 S N 1.048 116.729 115.700 -0.031 0.000 2.565 941 S HA 0.394 4.864 4.470 0.000 0.000 0.276 941 S C 0.441 174.991 174.600 -0.084 0.000 1.326 941 S CA -0.014 58.162 58.200 -0.040 0.000 1.045 941 S CB 0.809 63.999 63.200 -0.015 0.000 0.918 941 S HN 0.683 nan 8.310 nan 0.000 0.505 942 S N 4.449 120.091 115.700 -0.096 0.000 2.759 942 S HA 0.689 5.159 4.470 0.000 0.000 0.310 942 S C -0.687 173.841 174.600 -0.121 0.000 1.123 942 S CA -1.030 57.076 58.200 -0.156 0.000 0.959 942 S CB 0.550 63.645 63.200 -0.175 0.000 1.172 942 S HN 0.646 nan 8.310 nan 0.000 0.539 943 L N 1.934 123.064 121.223 -0.156 0.000 2.307 943 L HA 0.406 4.746 4.340 0.000 0.000 0.282 943 L C -1.186 175.640 176.870 -0.074 0.000 1.051 943 L CA -2.339 52.446 54.840 -0.091 0.000 0.804 943 L CB 1.585 43.593 42.059 -0.084 0.000 1.197 943 L HN 0.593 nan 8.230 nan 0.000 0.431 944 P HA -0.217 nan 4.420 nan 0.000 0.215 944 P C 0.514 177.801 177.300 -0.021 0.000 1.157 944 P CA 1.521 64.608 63.100 -0.022 0.000 0.874 944 P CB 0.492 32.192 31.700 0.000 0.000 0.790 945 D N -2.217 118.179 120.400 -0.006 0.000 2.454 945 D HA 0.010 4.650 4.640 0.000 0.000 0.219 945 D C 1.858 178.171 176.300 0.021 0.000 1.081 945 D CA 0.141 54.146 54.000 0.009 0.000 0.867 945 D CB -0.045 40.768 40.800 0.023 0.000 1.054 945 D HN -0.133 nan 8.370 nan 0.000 0.500 946 L N 0.149 121.385 121.223 0.021 0.000 2.145 946 L HA 0.339 4.679 4.340 0.000 0.000 0.201 946 L C 0.610 177.432 176.870 -0.080 0.000 1.075 946 L CA 0.916 55.798 54.840 0.070 0.000 0.773 946 L CB -0.246 41.934 42.059 0.203 0.000 0.936 946 L HN 0.032 nan 8.230 nan 0.000 0.451 947 I N -0.272 120.145 120.570 -0.255 0.000 2.586 947 I HA 0.191 4.361 4.170 0.000 0.000 0.288 947 I C -0.767 175.110 176.117 -0.401 0.000 1.147 947 I CA -0.590 60.404 61.300 -0.510 0.000 1.047 947 I CB 2.858 40.299 38.000 -0.932 0.000 1.244 947 I HN -0.114 nan 8.210 nan 0.000 0.429 948 E N 6.478 126.491 120.200 -0.312 0.000 2.175 948 E HA 0.520 4.870 4.350 0.000 0.000 0.278 948 E C -0.935 175.596 176.600 -0.114 0.000 0.969 948 E CA -0.347 55.950 56.400 -0.173 0.000 0.796 948 E CB 1.319 30.966 29.700 -0.089 0.000 1.104 948 E HN 0.464 nan 8.360 nan 0.000 0.395 949 I N 3.945 124.484 120.570 -0.051 0.000 2.395 949 I HA 0.145 4.315 4.170 0.000 0.000 0.282 949 I C 0.125 176.325 176.117 0.138 0.000 1.107 949 I CA -0.622 60.745 61.300 0.112 0.000 1.210 949 I CB 0.407 38.426 38.000 0.031 0.000 1.456 949 I HN 0.417 nan 8.210 nan 0.000 0.504 950 D N 5.242 125.729 120.400 0.145 0.000 2.520 950 D HA -0.027 4.613 4.640 0.000 0.000 0.243 950 D C 0.744 177.103 176.300 0.097 0.000 1.160 950 D CA 0.614 54.663 54.000 0.082 0.000 0.877 950 D CB 1.223 42.053 40.800 0.050 0.000 1.150 950 D HN 0.491 nan 8.370 nan 0.000 0.494 951 L N 4.190 125.436 121.223 0.038 0.000 2.477 951 L HA 0.066 4.406 4.340 0.000 0.000 0.220 951 L C 2.534 179.334 176.870 -0.117 0.000 1.106 951 L CA -0.060 54.780 54.840 0.001 0.000 0.851 951 L CB 0.098 42.167 42.059 0.018 0.000 0.994 951 L HN 0.332 nan 8.230 nan 0.000 0.462 952 R N -0.001 120.444 120.500 -0.092 0.000 2.096 952 R HA -0.059 4.281 4.340 0.000 0.000 0.235 952 R C -0.277 175.913 176.300 -0.182 0.000 1.127 952 R CA 0.835 56.868 56.100 -0.112 0.000 0.968 952 R CB -0.028 30.232 30.300 -0.067 0.000 0.861 952 R HN 0.239 nan 8.270 nan 0.000 0.440 953 D N 0.088 120.375 120.400 -0.188 0.000 2.620 953 D HA 0.123 4.763 4.640 0.000 0.000 0.252 953 D C -0.842 175.279 176.300 -0.299 0.000 1.207 953 D CA -0.378 53.483 54.000 -0.231 0.000 0.884 953 D CB 1.050 41.778 40.800 -0.120 0.000 1.262 953 D HN 0.100 nan 8.370 nan 0.000 0.552 954 H N 1.129 119.995 119.070 -0.339 0.000 3.426 954 H HA 0.111 4.667 4.556 0.000 0.000 0.218 954 H C 0.106 174.906 175.328 -0.881 0.000 0.938 954 H CA 0.554 56.055 56.048 -0.912 0.000 1.380 954 H CB 0.128 29.312 29.762 -0.962 0.000 1.571 954 H HN 0.064 nan 8.280 nan 0.000 0.524 955 V N 4.729 124.418 119.914 -0.374 0.000 3.204 955 V HA 0.289 4.409 4.120 0.000 0.000 0.298 955 V C -1.607 174.641 176.094 0.257 0.000 1.328 955 V CA -0.862 61.399 62.300 -0.066 0.000 1.035 955 V CB 2.517 34.321 31.823 -0.032 0.000 1.095 955 V HN 0.382 nan 8.190 nan 0.000 0.442 956 Y N 2.886 123.253 120.300 0.111 0.000 2.596 956 Y HA 0.758 5.308 4.550 0.000 0.000 0.326 956 Y C 0.598 176.386 175.900 -0.186 0.000 1.167 956 Y CA -1.640 56.370 58.100 -0.150 0.000 1.246 956 Y CB 1.657 39.816 38.460 -0.501 0.000 1.347 956 Y HN 0.499 nan 8.280 nan 0.000 0.515 957 R N 1.177 121.565 120.500 -0.187 0.000 2.928 957 R HA 0.249 4.589 4.340 0.000 0.000 0.248 957 R C -1.828 174.368 176.300 -0.173 0.000 1.796 957 R CA -0.344 55.701 56.100 -0.091 0.000 1.477 957 R CB 0.037 30.320 30.300 -0.029 0.000 1.484 957 R HN 0.361 nan 8.270 nan 0.000 0.623 958 F N 2.281 122.244 119.950 0.023 0.000 2.546 958 F HA -0.022 4.505 4.527 0.000 0.000 0.388 958 F C 0.688 176.508 175.800 0.033 0.000 1.051 958 F CA 0.266 58.271 58.000 0.008 0.000 1.130 958 F CB 0.126 39.153 39.000 0.045 0.000 1.044 958 F HN 0.484 nan 8.300 nan 0.000 0.553 959 N N 1.275 120.052 118.700 0.129 0.000 2.780 959 N HA -0.150 4.590 4.740 0.000 0.000 0.248 959 N C 0.500 176.049 175.510 0.065 0.000 1.102 959 N CA 0.747 53.856 53.050 0.099 0.000 0.697 959 N CB -1.670 36.894 38.487 0.127 0.000 1.028 959 N HN 1.131 nan 8.380 nan 0.000 0.554 960 G N -1.002 107.815 108.800 0.027 0.000 2.144 960 G HA2 0.231 4.191 3.960 0.000 0.000 0.251 960 G HA3 0.231 4.191 3.960 0.000 0.000 0.251 960 G C 1.303 176.228 174.900 0.041 0.000 0.780 960 G CA 1.529 46.640 45.100 0.018 0.000 1.183 960 G HN 1.656 nan 8.290 nan 0.000 0.345 961 G N 0.419 109.256 108.800 0.062 0.000 2.905 961 G HA2 -0.234 3.726 3.960 0.000 0.000 0.199 961 G HA3 -0.234 3.726 3.960 0.000 0.000 0.199 961 G C 0.990 175.941 174.900 0.085 0.000 1.370 961 G CA 0.753 45.892 45.100 0.065 0.000 0.966 961 G HN 0.752 nan 8.290 nan 0.000 0.522 962 E N 0.941 121.196 120.200 0.092 0.000 2.271 962 E HA -0.214 4.136 4.350 0.000 0.000 0.209 962 E C 1.124 177.791 176.600 0.111 0.000 1.046 962 E CA 1.739 58.197 56.400 0.097 0.000 0.840 962 E CB -0.179 29.586 29.700 0.108 0.000 0.738 962 E HN 0.809 nan 8.360 nan 0.000 0.470 963 R N -2.103 118.490 120.500 0.156 0.000 2.736 963 R HA 0.406 4.746 4.340 0.000 0.000 0.250 963 R C -1.811 174.645 176.300 0.260 0.000 1.098 963 R CA -0.642 55.561 56.100 0.171 0.000 0.978 963 R CB 0.913 31.295 30.300 0.138 0.000 1.263 963 R HN -0.143 nan 8.270 nan 0.000 0.460 964 V N 2.317 122.350 119.914 0.198 0.000 2.444 964 V HA 0.459 4.579 4.120 0.000 0.000 0.294 964 V C -0.546 175.667 176.094 0.197 0.000 1.022 964 V CA -0.539 61.882 62.300 0.202 0.000 0.850 964 V CB 1.720 33.610 31.823 0.112 0.000 0.992 964 V HN 0.799 nan 8.190 nan 0.000 0.426 965 E N 6.458 126.827 120.200 0.282 0.000 2.263 965 E HA 0.397 4.747 4.350 0.000 0.000 0.268 965 E C -2.813 173.852 176.600 0.107 0.000 0.884 965 E CA -1.935 54.584 56.400 0.200 0.000 0.766 965 E CB 3.047 32.911 29.700 0.273 0.000 1.196 965 E HN 0.418 nan 8.360 nan 0.000 0.416 966 P HA -0.053 nan 4.420 nan 0.000 0.270 966 P C -1.151 176.054 177.300 -0.159 0.000 1.223 966 P CA 0.242 63.264 63.100 -0.129 0.000 0.785 966 P CB 0.390 32.023 31.700 -0.111 0.000 0.923 967 Y N -0.447 119.696 120.300 -0.261 0.000 2.698 967 Y HA 0.840 5.390 4.550 0.000 0.000 0.332 967 Y C -0.964 174.816 175.900 -0.200 0.000 1.119 967 Y CA -1.652 56.250 58.100 -0.330 0.000 1.109 967 Y CB 0.398 38.400 38.460 -0.764 0.000 1.308 967 Y HN 0.619 nan 8.280 nan 0.000 0.499 968 A N 0.135 123.067 122.820 0.187 0.000 2.414 968 A HA 0.698 5.018 4.320 0.000 0.000 0.278 968 A C -1.435 176.262 177.584 0.188 0.000 1.228 968 A CA -0.859 51.214 52.037 0.061 0.000 0.857 968 A CB 0.833 19.858 19.000 0.043 0.000 1.389 968 A HN 0.760 nan 8.150 nan 0.000 0.452 969 D N 0.289 120.717 120.400 0.047 0.000 2.272 969 D HA 0.385 5.025 4.640 0.000 0.000 0.247 969 D C -1.830 174.473 176.300 0.005 0.000 0.990 969 D CA -1.254 52.773 54.000 0.045 0.000 0.931 969 D CB 1.168 41.983 40.800 0.025 0.000 1.195 969 D HN 0.205 nan 8.370 nan 0.000 0.477 970 P HA -0.191 nan 4.420 nan 0.000 0.214 970 P C 1.572 178.875 177.300 0.005 0.000 1.163 970 P CA 1.092 64.128 63.100 -0.108 0.000 0.883 970 P CB 0.291 31.888 31.700 -0.171 0.000 0.788 971 V N 0.588 120.509 119.914 0.012 0.000 2.255 971 V HA -0.044 4.076 4.120 0.000 0.000 0.243 971 V C -0.568 175.556 176.094 0.049 0.000 1.038 971 V CA 2.329 64.653 62.300 0.040 0.000 1.008 971 V CB -2.141 29.698 31.823 0.025 0.000 0.645 971 V HN 0.042 nan 8.190 nan 0.000 0.449 972 P HA -0.140 nan 4.420 nan 0.000 0.215 972 P C 2.168 179.491 177.300 0.038 0.000 1.157 972 P CA 1.569 64.681 63.100 0.019 0.000 0.868 972 P CB -0.245 31.446 31.700 -0.016 0.000 0.788 973 L N -0.170 121.088 121.223 0.058 0.000 2.141 973 L HA -0.176 4.164 4.340 0.000 0.000 0.209 973 L C 2.162 179.120 176.870 0.147 0.000 1.094 973 L CA 2.065 56.965 54.840 0.099 0.000 0.763 973 L CB -1.282 40.859 42.059 0.136 0.000 0.908 973 L HN -0.018 nan 8.230 nan 0.000 0.437 974 Q N 0.305 120.213 119.800 0.179 0.000 2.050 974 Q HA -0.241 4.099 4.340 0.000 0.000 0.202 974 Q C 2.190 178.259 176.000 0.115 0.000 0.980 974 Q CA 2.139 58.071 55.803 0.214 0.000 0.840 974 Q CB -0.106 28.773 28.738 0.235 0.000 0.898 974 Q HN 0.606 nan 8.270 nan 0.000 0.424 975 Q N -0.867 118.981 119.800 0.080 0.000 2.230 975 Q HA 0.069 4.409 4.340 0.000 0.000 0.202 975 Q C 1.969 177.987 176.000 0.031 0.000 0.963 975 Q CA 1.036 56.867 55.803 0.047 0.000 0.866 975 Q CB -0.131 28.629 28.738 0.037 0.000 0.931 975 Q HN 0.458 nan 8.270 nan 0.000 0.452 976 A N 0.914 123.755 122.820 0.034 0.000 1.930 976 A HA -0.120 4.200 4.320 0.000 0.000 0.217 976 A C 2.005 179.596 177.584 0.011 0.000 1.175 976 A CA 1.007 53.056 52.037 0.019 0.000 0.627 976 A CB -0.416 18.598 19.000 0.022 0.000 0.815 976 A HN 0.307 nan 8.150 nan 0.000 0.443 977 I N -0.636 119.947 120.570 0.021 0.000 2.617 977 I HA -0.139 4.031 4.170 0.000 0.000 0.256 977 I C 2.754 178.859 176.117 -0.019 0.000 1.167 977 I CA 0.797 62.095 61.300 -0.003 0.000 1.469 977 I CB -0.187 37.809 38.000 -0.006 0.000 1.098 977 I HN 0.350 nan 8.210 nan 0.000 0.436 978 A N 0.686 123.503 122.820 -0.004 0.000 2.014 978 A HA 0.039 4.359 4.320 0.000 0.000 0.218 978 A C 2.446 180.021 177.584 -0.015 0.000 1.163 978 A CA 1.408 53.438 52.037 -0.012 0.000 0.652 978 A CB -0.398 18.606 19.000 0.007 0.000 0.808 978 A HN 0.390 nan 8.150 nan 0.000 0.449 979 A N -0.788 122.026 122.820 -0.011 0.000 2.016 979 A HA 0.189 4.509 4.320 0.000 0.000 0.217 979 A C 2.013 179.583 177.584 -0.025 0.000 1.162 979 A CA 0.998 53.026 52.037 -0.015 0.000 0.662 979 A CB -0.310 18.684 19.000 -0.010 0.000 0.812 979 A HN 0.407 nan 8.150 nan 0.000 0.450 980 L N -0.270 120.936 121.223 -0.029 0.000 1.993 980 L HA 0.135 4.475 4.340 0.000 0.000 0.206 980 L C 0.501 177.344 176.870 -0.046 0.000 1.074 980 L CA 1.667 56.482 54.840 -0.041 0.000 0.746 980 L CB -0.790 41.242 42.059 -0.046 0.000 0.896 980 L HN 0.347 nan 8.230 nan 0.000 0.435 981 L N 2.002 123.195 121.223 -0.049 0.000 2.360 981 L HA 0.220 4.560 4.340 0.000 0.000 0.265 981 L C -1.341 175.502 176.870 -0.046 0.000 1.066 981 L CA -1.232 53.576 54.840 -0.054 0.000 0.929 981 L CB 0.739 42.757 42.059 -0.069 0.000 1.306 981 L HN 0.061 nan 8.230 nan 0.000 0.434 982 P HA -0.174 nan 4.420 nan 0.000 0.216 982 P C 1.238 178.520 177.300 -0.031 0.000 1.153 982 P CA 1.244 64.326 63.100 -0.029 0.000 0.848 982 P CB 0.560 32.245 31.700 -0.024 0.000 0.787 983 A N -0.119 122.681 122.820 -0.033 0.000 2.123 983 A HA 0.344 4.664 4.320 0.000 0.000 0.214 983 A C 1.518 179.077 177.584 -0.041 0.000 1.152 983 A CA 0.474 52.493 52.037 -0.031 0.000 0.728 983 A CB -1.016 17.968 19.000 -0.026 0.000 0.814 983 A HN 0.310 nan 8.150 nan 0.000 0.464 984 A N 0.079 122.866 122.820 -0.055 0.000 2.425 984 A HA 0.567 4.887 4.320 0.000 0.000 0.249 984 A C 0.520 178.052 177.584 -0.087 0.000 1.084 984 A CA 0.272 52.263 52.037 -0.077 0.000 0.781 984 A CB -0.050 18.893 19.000 -0.094 0.000 1.019 984 A HN 1.188 nan 8.150 nan 0.000 0.490 985 A N 2.710 125.466 122.820 -0.108 0.000 2.276 985 A HA 0.605 4.925 4.320 0.000 0.000 0.300 985 A C -0.071 177.399 177.584 -0.191 0.000 1.235 985 A CA -0.425 51.541 52.037 -0.119 0.000 0.867 985 A CB -0.046 18.891 19.000 -0.106 0.000 1.137 985 A HN 0.797 nan 8.150 nan 0.000 0.527 986 L N 2.104 123.221 121.223 -0.176 0.000 2.375 986 L HA 0.782 5.122 4.340 0.000 0.000 0.268 986 L C 0.414 177.134 176.870 -0.250 0.000 1.058 986 L CA -0.419 54.263 54.840 -0.263 0.000 0.803 986 L CB 1.813 43.722 42.059 -0.249 0.000 1.212 986 L HN 0.856 nan 8.230 nan 0.000 0.451 987 S N -0.831 114.658 115.700 -0.352 0.000 2.560 987 S HA 0.404 4.874 4.470 0.000 0.000 0.283 987 S C -1.962 172.559 174.600 -0.131 0.000 1.141 987 S CA -0.993 57.121 58.200 -0.143 0.000 0.902 987 S CB 0.351 63.571 63.200 0.033 0.000 1.104 987 S HN 0.473 nan 8.310 nan 0.000 0.454 988 W N 2.600 124.047 121.300 0.244 0.000 2.291 988 W HA 0.467 5.127 4.660 0.000 0.000 0.312 988 W C 0.524 177.263 176.519 0.367 0.000 1.061 988 W CA -0.436 57.056 57.345 0.244 0.000 1.296 988 W CB 0.476 30.023 29.460 0.145 0.000 1.223 988 W HN 0.633 nan 8.180 nan 0.000 0.421 989 H N 1.993 121.224 119.070 0.267 0.000 2.473 989 H HA 0.573 5.129 4.556 0.000 0.000 0.327 989 H C 0.324 175.724 175.328 0.121 0.000 1.105 989 H CA -0.615 55.555 56.048 0.204 0.000 1.280 989 H CB 1.556 31.441 29.762 0.205 0.000 1.450 989 H HN 0.292 nan 8.280 nan 0.000 0.492 990 T N 0.048 114.779 114.554 0.295 0.000 2.900 990 T HA 0.172 4.522 4.350 0.000 0.000 0.303 990 T C -0.400 174.432 174.700 0.219 0.000 1.142 990 T CA -1.110 61.138 62.100 0.247 0.000 1.007 990 T CB 1.500 70.511 68.868 0.238 0.000 1.156 990 T HN 0.287 nan 8.240 nan 0.000 0.490 991 L N 3.807 125.112 121.223 0.137 0.000 2.852 991 L HA 0.172 4.512 4.340 0.000 0.000 0.281 991 L C 0.794 177.773 176.870 0.181 0.000 1.110 991 L CA 0.703 55.531 54.840 -0.021 0.000 1.030 991 L CB -0.792 41.017 42.059 -0.417 0.000 1.405 991 L HN 0.905 nan 8.230 nan 0.000 0.464 992 S N 4.956 120.881 115.700 0.375 0.000 2.505 992 S HA 0.317 4.787 4.470 0.000 0.000 0.276 992 S C -1.505 173.376 174.600 0.469 0.000 1.274 992 S CA -1.119 57.293 58.200 0.354 0.000 1.053 992 S CB 0.828 64.188 63.200 0.266 0.000 0.919 992 S HN 0.535 nan 8.310 nan 0.000 0.490 993 P HA -0.196 nan 4.420 nan 0.000 0.220 993 P C 1.594 179.005 177.300 0.185 0.000 1.142 993 P CA 1.664 64.967 63.100 0.338 0.000 0.801 993 P CB -0.421 31.453 31.700 0.290 0.000 0.764 994 T N -3.695 110.911 114.554 0.087 0.000 3.051 994 T HA -0.172 4.178 4.350 0.000 0.000 0.269 994 T C 1.304 175.829 174.700 -0.292 0.000 1.127 994 T CA 0.770 62.849 62.100 -0.035 0.000 1.107 994 T CB -1.954 66.909 68.868 -0.008 0.000 0.898 994 T HN 0.396 nan 8.240 nan 0.000 0.517 995 C N 1.529 120.432 119.300 -0.663 0.000 4.274 995 C HA -0.211 4.249 4.460 0.000 0.000 0.297 995 C C 1.184 175.448 174.990 -1.210 0.000 1.446 995 C CA -0.123 57.834 59.018 -1.768 0.000 2.016 995 C CB -3.221 23.826 27.740 -1.155 0.000 1.273 995 C HN 0.771 nan 8.230 nan 0.000 0.782 996 D N 1.123 121.178 120.400 -0.575 0.000 2.310 996 D HA -0.139 4.501 4.640 0.000 0.000 0.212 996 D C 1.366 177.607 176.300 -0.098 0.000 0.965 996 D CA 1.630 55.487 54.000 -0.238 0.000 0.879 996 D CB -0.821 39.960 40.800 -0.032 0.000 0.921 996 D HN 0.963 nan 8.370 nan 0.000 0.510 997 W N 0.822 122.186 121.300 0.107 0.000 2.699 997 W HA 0.204 4.864 4.660 0.000 0.000 0.249 997 W C 1.703 178.365 176.519 0.238 0.000 1.280 997 W CA -0.377 57.075 57.345 0.180 0.000 1.345 997 W CB -0.860 28.655 29.460 0.093 0.000 1.128 997 W HN -0.130 nan 8.180 nan 0.000 0.642 998 L N 2.123 123.130 121.223 -0.361 0.000 2.123 998 L HA -0.213 4.127 4.340 0.000 0.000 0.217 998 L C -0.424 176.481 176.870 0.058 0.000 1.081 998 L CA 1.784 56.527 54.840 -0.162 0.000 0.772 998 L CB -1.898 39.947 42.059 -0.357 0.000 0.890 998 L HN -0.030 nan 8.230 nan 0.000 0.437 999 P HA -0.134 nan 4.420 nan 0.000 0.279 999 P C -0.027 177.143 177.300 -0.216 0.000 1.451 999 P CA 1.151 64.225 63.100 -0.043 0.000 0.783 999 P CB -0.254 31.456 31.700 0.016 0.000 1.490 1000 Y N -1.700 118.728 120.300 0.213 0.000 2.448 1000 Y HA 0.305 4.855 4.550 0.000 0.000 0.257 1000 Y C 2.103 178.123 175.900 0.200 0.000 1.089 1000 Y CA 0.050 58.313 58.100 0.271 0.000 1.245 1000 Y CB 0.507 39.147 38.460 0.301 0.000 1.282 1000 Y HN -0.157 nan 8.280 nan 0.000 0.529 1001 I N -1.358 119.381 120.570 0.282 0.000 3.673 1001 I HA -0.004 4.166 4.170 0.000 0.000 0.281 1001 I C 1.465 177.698 176.117 0.193 0.000 1.182 1001 I CA 0.518 61.954 61.300 0.227 0.000 1.391 1001 I CB 0.297 38.444 38.000 0.245 0.000 1.383 1001 I HN -0.053 nan 8.210 nan 0.000 0.456 1002 I N 1.153 121.816 120.570 0.154 0.000 3.059 1002 I HA -0.007 4.163 4.170 0.000 0.000 0.270 1002 I C 2.340 178.555 176.117 0.164 0.000 1.238 1002 I CA 0.923 62.340 61.300 0.195 0.000 1.478 1002 I CB -0.359 37.685 38.000 0.073 0.000 1.097 1002 I HN 0.232 nan 8.210 nan 0.000 0.455 1003 G N 0.464 109.260 108.800 -0.007 0.000 2.494 1003 G HA2 -0.066 3.894 3.960 0.000 0.000 0.216 1003 G HA3 -0.066 3.894 3.960 0.000 0.000 0.216 1003 G C 1.480 176.236 174.900 -0.240 0.000 1.140 1003 G CA 0.381 45.321 45.100 -0.268 0.000 0.801 1003 G HN 0.249 nan 8.290 nan 0.000 0.536 1004 V N 0.138 120.030 119.914 -0.038 0.000 3.590 1004 V HA 0.412 4.532 4.120 0.000 0.000 0.265 1004 V C 1.639 177.728 176.094 -0.009 0.000 1.239 1004 V CA 0.757 63.061 62.300 0.006 0.000 1.117 1004 V CB -0.138 31.743 31.823 0.097 0.000 0.818 1004 V HN 0.711 nan 8.190 nan 0.000 0.451 1005 G N 0.749 109.588 108.800 0.065 0.000 2.392 1005 G HA2 -0.172 3.788 3.960 0.000 0.000 0.215 1005 G HA3 -0.172 3.788 3.960 0.000 0.000 0.215 1005 G C -0.104 175.028 174.900 0.386 0.000 1.097 1005 G CA 0.123 45.244 45.100 0.034 0.000 0.840 1005 G HN 0.432 nan 8.290 nan 0.000 0.492 1006 S N 0.566 116.522 115.700 0.427 0.000 2.532 1006 S HA 0.731 5.201 4.470 0.000 0.000 0.299 1006 S C -2.285 172.437 174.600 0.203 0.000 1.105 1006 S CA -1.109 57.260 58.200 0.282 0.000 1.018 1006 S CB 2.934 66.237 63.200 0.172 0.000 1.021 1006 S HN 0.194 nan 8.310 nan 0.000 0.483 1007 P HA 0.536 nan 4.420 nan 0.000 0.274 1007 P C -1.160 176.170 177.300 0.050 0.000 1.260 1007 P CA -0.474 62.649 63.100 0.039 0.000 0.793 1007 P CB 0.403 32.138 31.700 0.059 0.000 1.048 1008 L N -2.829 118.412 121.223 0.029 0.000 2.999 1008 L HA 0.622 4.962 4.340 0.000 0.000 0.274 1008 L C -1.606 175.278 176.870 0.023 0.000 1.044 1008 L CA -0.796 54.067 54.840 0.039 0.000 0.943 1008 L CB 0.367 42.464 42.059 0.063 0.000 1.522 1008 L HN -0.025 nan 8.230 nan 0.000 0.400 1009 N N 0.587 119.304 118.700 0.028 0.000 2.443 1009 N HA 0.596 5.336 4.740 0.000 0.000 0.269 1009 N C 0.664 176.195 175.510 0.034 0.000 0.985 1009 N CA -0.533 52.532 53.050 0.025 0.000 0.921 1009 N CB 1.902 40.406 38.487 0.029 0.000 1.195 1009 N HN 0.803 nan 8.380 nan 0.000 0.492 1010 L N 0.382 121.626 121.223 0.035 0.000 2.351 1010 L HA -0.201 4.139 4.340 0.000 0.000 0.220 1010 L C 1.856 178.811 176.870 0.141 0.000 1.127 1010 L CA 1.053 55.922 54.840 0.049 0.000 0.786 1010 L CB -0.415 41.694 42.059 0.084 0.000 0.914 1010 L HN 0.530 nan 8.230 nan 0.000 0.443 1011 S N -2.169 113.610 115.700 0.131 0.000 2.470 1011 S HA -0.068 4.402 4.470 0.000 0.000 0.225 1011 S C 1.376 176.077 174.600 0.167 0.000 1.006 1011 S CA 0.434 58.739 58.200 0.175 0.000 0.934 1011 S CB -0.075 63.185 63.200 0.100 0.000 0.778 1011 S HN 0.327 nan 8.310 nan 0.000 0.517 1012 D N 2.047 122.507 120.400 0.101 0.000 2.277 1012 D HA 0.176 4.816 4.640 0.000 0.000 0.208 1012 D C 1.766 178.113 176.300 0.077 0.000 0.962 1012 D CA 0.401 54.448 54.000 0.078 0.000 0.865 1012 D CB -0.393 40.432 40.800 0.041 0.000 0.939 1012 D HN 0.446 nan 8.370 nan 0.000 0.510 1013 I N 0.846 121.436 120.570 0.032 0.000 2.236 1013 I HA -0.339 3.831 4.170 0.000 0.000 0.249 1013 I C 2.042 178.247 176.117 0.147 0.000 1.102 1013 I CA 0.967 62.242 61.300 -0.042 0.000 1.365 1013 I CB -0.362 37.257 38.000 -0.636 0.000 1.051 1013 I HN -0.042 nan 8.210 nan 0.000 0.420 1014 N N 0.488 119.411 118.700 0.373 0.000 2.120 1014 N HA -0.137 4.603 4.740 0.000 0.000 0.188 1014 N C 1.776 177.395 175.510 0.181 0.000 1.024 1014 N CA 1.868 55.158 53.050 0.400 0.000 0.852 1014 N CB -0.179 38.509 38.487 0.335 0.000 1.003 1014 N HN 0.275 nan 8.380 nan 0.000 0.424 1015 T N -0.203 114.429 114.554 0.130 0.000 2.674 1015 T HA -0.102 4.248 4.350 0.000 0.000 0.265 1015 T C 1.881 176.630 174.700 0.082 0.000 1.039 1015 T CA 1.496 63.650 62.100 0.090 0.000 1.150 1015 T CB -0.667 68.246 68.868 0.074 0.000 0.864 1015 T HN 0.349 nan 8.240 nan 0.000 0.427 1016 A N 1.015 123.850 122.820 0.025 0.000 1.972 1016 A HA 0.054 4.374 4.320 0.000 0.000 0.219 1016 A C 2.190 179.745 177.584 -0.048 0.000 1.169 1016 A CA 1.015 53.014 52.037 -0.064 0.000 0.635 1016 A CB -0.813 18.059 19.000 -0.213 0.000 0.810 1016 A HN 0.566 nan 8.150 nan 0.000 0.446 1017 I N -0.635 119.939 120.570 0.006 0.000 3.176 1017 I HA -0.078 4.092 4.170 0.000 0.000 0.275 1017 I C 2.241 178.352 176.117 -0.009 0.000 1.298 1017 I CA 1.100 62.411 61.300 0.019 0.000 1.445 1017 I CB 0.088 38.172 38.000 0.141 0.000 1.075 1017 I HN 0.381 nan 8.210 nan 0.000 0.482 1018 S N -0.849 114.863 115.700 0.020 0.000 2.505 1018 S HA 0.016 4.486 4.470 0.000 0.000 0.216 1018 S C 1.683 176.298 174.600 0.025 0.000 1.018 1018 S CA -0.199 57.994 58.200 -0.011 0.000 0.911 1018 S CB 0.117 63.322 63.200 0.008 0.000 0.818 1018 S HN 0.533 nan 8.310 nan 0.000 0.497 1019 Y N 0.645 120.901 120.300 -0.073 0.000 2.476 1019 Y HA 0.279 4.829 4.550 0.000 0.000 0.283 1019 Y C 2.419 178.295 175.900 -0.041 0.000 1.109 1019 Y CA 0.938 58.997 58.100 -0.069 0.000 1.246 1019 Y CB -0.003 38.418 38.460 -0.064 0.000 1.068 1019 Y HN 0.377 nan 8.280 nan 0.000 0.552 1020 S N 0.246 116.068 115.700 0.205 0.000 2.414 1020 S HA -0.065 4.405 4.470 0.000 0.000 0.227 1020 S C 1.860 176.547 174.600 0.145 0.000 1.022 1020 S CA 0.791 59.098 58.200 0.178 0.000 0.958 1020 S CB -0.121 63.103 63.200 0.041 0.000 0.797 1020 S HN 0.505 nan 8.310 nan 0.000 0.493 1021 R N 0.273 120.808 120.500 0.059 0.000 2.189 1021 R HA 0.146 4.486 4.340 0.000 0.000 0.218 1021 R C 1.734 178.055 176.300 0.035 0.000 1.074 1021 R CA 0.551 56.680 56.100 0.048 0.000 0.991 1021 R CB -0.131 30.122 30.300 -0.079 0.000 0.883 1021 R HN 0.335 nan 8.270 nan 0.000 0.457 1022 L N 0.675 121.882 121.223 -0.028 0.000 2.341 1022 L HA 0.004 4.344 4.340 0.000 0.000 0.214 1022 L C 0.815 177.698 176.870 0.023 0.000 1.115 1022 L CA 1.405 56.182 54.840 -0.105 0.000 0.820 1022 L CB -0.187 41.649 42.059 -0.372 0.000 0.944 1022 L HN 0.196 nan 8.230 nan 0.000 0.452 1023 T N -1.894 112.719 114.554 0.097 0.000 3.305 1023 T HA 0.370 4.720 4.350 0.000 0.000 0.348 1023 T C -2.500 172.320 174.700 0.199 0.000 1.394 1023 T CA -1.484 60.730 62.100 0.190 0.000 1.549 1023 T CB 1.543 70.561 68.868 0.250 0.000 0.962 1023 T HN -0.092 nan 8.240 nan 0.000 0.609 1024 P HA 0.424 nan 4.420 nan 0.000 0.275 1024 P C -0.368 177.034 177.300 0.169 0.000 1.270 1024 P CA -0.676 62.563 63.100 0.233 0.000 0.791 1024 P CB 1.232 33.123 31.700 0.318 0.000 1.089 1025 I N 0.989 121.600 120.570 0.069 0.000 2.428 1025 I HA 0.157 4.327 4.170 0.000 0.000 0.279 1025 I C 0.536 176.629 176.117 -0.040 0.000 1.040 1025 I CA -0.910 60.297 61.300 -0.155 0.000 1.171 1025 I CB 0.962 38.572 38.000 -0.650 0.000 1.312 1025 I HN 0.190 nan 8.210 nan 0.000 0.470 1026 L N 7.465 128.659 121.223 -0.048 0.000 2.565 1026 L HA 0.074 4.414 4.340 0.000 0.000 0.275 1026 L C -0.036 176.691 176.870 -0.238 0.000 1.137 1026 L CA 0.498 55.044 54.840 -0.490 0.000 0.915 1026 L CB -0.194 41.469 42.059 -0.660 0.000 1.232 1026 L HN 0.632 nan 8.230 nan 0.000 0.473 1027 H N 6.399 125.264 119.070 -0.342 0.000 2.761 1027 H HA 0.363 4.919 4.556 0.000 0.000 0.284 1027 H C -0.433 174.740 175.328 -0.258 0.000 1.105 1027 H CA -0.829 55.102 56.048 -0.196 0.000 1.352 1027 H CB 0.707 30.329 29.762 -0.233 0.000 1.423 1027 H HN 0.631 nan 8.280 nan 0.000 0.464 1028 I N 3.673 124.132 120.570 -0.184 0.000 2.664 1028 I HA 0.118 4.288 4.170 0.000 0.000 0.308 1028 I C -0.289 175.666 176.117 -0.271 0.000 0.984 1028 I CA -0.348 60.788 61.300 -0.272 0.000 1.213 1028 I CB 1.525 39.397 38.000 -0.214 0.000 1.379 1028 I HN 0.658 nan 8.210 nan 0.000 0.501 1029 D N 1.263 121.516 120.400 -0.246 0.000 2.337 1029 D HA 0.078 4.718 4.640 0.000 0.000 0.238 1029 D C 0.710 176.938 176.300 -0.120 0.000 1.331 1029 D CA -0.301 53.596 54.000 -0.171 0.000 0.967 1029 D CB 0.914 41.612 40.800 -0.170 0.000 1.382 1029 D HN 0.635 nan 8.370 nan 0.000 0.549 1030 T N -1.019 113.472 114.554 -0.104 0.000 2.977 1030 T HA -0.187 4.163 4.350 0.000 0.000 0.271 1030 T C 1.768 176.438 174.700 -0.051 0.000 1.105 1030 T CA 1.619 63.673 62.100 -0.075 0.000 1.116 1030 T CB -0.384 68.442 68.868 -0.069 0.000 0.878 1030 T HN 0.354 nan 8.240 nan 0.000 0.509 1031 T N 0.431 114.959 114.554 -0.043 0.000 3.163 1031 T HA 0.161 4.511 4.350 0.000 0.000 0.260 1031 T C 0.727 175.421 174.700 -0.010 0.000 1.156 1031 T CA 0.534 62.623 62.100 -0.019 0.000 1.072 1031 T CB -0.884 67.982 68.868 -0.003 0.000 0.937 1031 T HN 0.762 nan 8.240 nan 0.000 0.528 1032 T N -1.850 112.690 114.554 -0.024 0.000 2.868 1032 T HA 0.621 4.971 4.350 0.000 0.000 0.306 1032 T C -3.541 171.144 174.700 -0.025 0.000 1.224 1032 T CA -2.016 60.075 62.100 -0.015 0.000 1.012 1032 T CB 1.795 70.656 68.868 -0.012 0.000 1.221 1032 T HN -0.203 nan 8.240 nan 0.000 0.499 1033 P HA 0.341 nan 4.420 nan 0.000 0.276 1033 P C -2.375 174.911 177.300 -0.024 0.000 1.230 1033 P CA -1.147 61.945 63.100 -0.013 0.000 0.776 1033 P CB 0.012 31.714 31.700 0.004 0.000 0.888 1034 P HA 0.186 nan 4.420 nan 0.000 0.276 1034 P C -0.175 177.115 177.300 -0.015 0.000 1.252 1034 P CA -0.268 62.813 63.100 -0.030 0.000 0.802 1034 P CB 0.954 32.635 31.700 -0.032 0.000 1.035 1035 L N 1.253 122.473 121.223 -0.004 0.000 2.470 1035 L HA 0.271 4.611 4.340 0.000 0.000 0.243 1035 L C 1.177 178.046 176.870 -0.002 0.000 1.227 1035 L CA -0.202 54.639 54.840 0.001 0.000 0.824 1035 L CB 0.076 42.158 42.059 0.038 0.000 1.175 1035 L HN 0.354 nan 8.230 nan 0.000 0.503 1036 R N 0.304 120.791 120.500 -0.021 0.000 2.631 1036 R HA 0.382 4.722 4.340 0.000 0.000 0.289 1036 R C -1.734 174.538 176.300 -0.048 0.000 1.303 1036 R CA -0.510 55.577 56.100 -0.023 0.000 0.989 1036 R CB 1.463 31.747 30.300 -0.027 0.000 1.208 1036 R HN 0.210 nan 8.270 nan 0.000 0.461 1037 V N 2.834 122.733 119.914 -0.027 0.000 2.333 1037 V HA 0.119 4.239 4.120 0.000 0.000 0.274 1037 V C 1.023 177.101 176.094 -0.028 0.000 1.028 1037 V CA -0.769 61.502 62.300 -0.047 0.000 0.851 1037 V CB 1.317 33.144 31.823 0.007 0.000 1.000 1037 V HN 0.695 nan 8.190 nan 0.000 0.456 1038 N N 5.388 124.062 118.700 -0.045 0.000 2.364 1038 N HA -0.059 4.681 4.740 0.000 0.000 0.183 1038 N C -0.373 175.124 175.510 -0.022 0.000 1.022 1038 N CA 1.335 54.366 53.050 -0.032 0.000 0.883 1038 N CB -0.093 38.371 38.487 -0.039 0.000 0.965 1038 N HN 0.632 nan 8.380 nan 0.000 0.438 1039 P HA 0.149 nan 4.420 nan 0.000 0.238 1039 P C 1.112 178.414 177.300 0.003 0.000 1.183 1039 P CA 0.366 63.458 63.100 -0.013 0.000 0.813 1039 P CB 1.096 32.785 31.700 -0.019 0.000 0.944 1040 V N -1.477 118.447 119.914 0.016 0.000 0.648 1040 V HA -0.222 3.898 4.120 0.000 0.000 0.092 1040 V C -1.783 174.334 176.094 0.037 0.000 1.340 1040 V CA 2.245 64.564 62.300 0.032 0.000 3.233 1040 V CB -3.229 28.608 31.823 0.022 0.000 0.475 1040 V HN 0.150 nan 8.190 nan 0.000 0.473 1041 P HA 0.266 nan 4.420 nan 0.000 0.220 1041 P C 0.020 177.325 177.300 0.008 0.000 1.778 1041 P CA 0.875 63.983 63.100 0.015 0.000 0.912 1041 P CB -0.389 31.315 31.700 0.007 0.000 1.861 1042 T N -0.068 114.499 114.554 0.023 0.000 2.447 1042 T HA -0.079 4.271 4.350 0.000 0.000 0.224 1042 T C -2.451 172.242 174.700 -0.013 0.000 1.058 1042 T CA -0.824 61.285 62.100 0.016 0.000 1.224 1042 T CB -0.743 68.167 68.868 0.071 0.000 1.029 1042 T HN 0.061 nan 8.240 nan 0.000 0.475 1043 P HA 0.399 nan 4.420 nan 0.000 0.294 1043 P C -0.118 177.128 177.300 -0.089 0.000 1.294 1043 P CA -1.114 61.951 63.100 -0.058 0.000 0.827 1043 P CB 0.811 32.481 31.700 -0.050 0.000 0.992 1044 L N 4.118 125.267 121.223 -0.123 0.000 2.540 1044 L HA 0.107 4.447 4.340 0.000 0.000 0.276 1044 L C 0.628 177.407 176.870 -0.152 0.000 1.212 1044 L CA 1.079 55.820 54.840 -0.166 0.000 0.893 1044 L CB -0.866 41.027 42.059 -0.277 0.000 1.138 1044 L HN 0.459 nan 8.230 nan 0.000 0.491 1045 N N 2.025 120.629 118.700 -0.160 0.000 2.952 1045 N HA -0.176 4.564 4.740 0.000 0.000 0.245 1045 N C -0.658 174.773 175.510 -0.132 0.000 1.029 1045 N CA 0.862 53.828 53.050 -0.141 0.000 0.870 1045 N CB -0.959 37.465 38.487 -0.104 0.000 1.121 1045 N HN 0.805 nan 8.380 nan 0.000 0.559 1046 Q N 0.472 120.186 119.800 -0.144 0.000 2.353 1046 Q HA 0.285 4.625 4.340 0.000 0.000 0.268 1046 Q C -0.152 175.754 176.000 -0.156 0.000 1.045 1046 Q CA -0.434 55.296 55.803 -0.122 0.000 0.811 1046 Q CB 2.302 30.987 28.738 -0.088 0.000 1.305 1046 Q HN 0.157 nan 8.270 nan 0.000 0.447 1047 Q N 2.084 121.801 119.800 -0.138 0.000 2.289 1047 Q HA 0.167 4.507 4.340 0.000 0.000 0.273 1047 Q C -0.832 175.101 176.000 -0.111 0.000 1.029 1047 Q CA -0.082 55.634 55.803 -0.145 0.000 0.896 1047 Q CB 0.325 29.001 28.738 -0.103 0.000 1.182 1047 Q HN 0.753 nan 8.270 nan 0.000 0.385 1048 C N 1.415 120.646 119.300 -0.115 0.000 2.667 1048 C HA 0.967 5.427 4.460 0.000 0.000 0.323 1048 C C -0.208 174.737 174.990 -0.076 0.000 1.214 1048 C CA -1.059 57.908 59.018 -0.085 0.000 1.721 1048 C CB 0.713 28.404 27.740 -0.083 0.000 2.275 1048 C HN 0.887 nan 8.230 nan 0.000 0.491 1049 A N 2.312 125.085 122.820 -0.078 0.000 2.271 1049 A HA 0.805 5.125 4.320 0.000 0.000 0.317 1049 A C -0.582 176.931 177.584 -0.117 0.000 1.245 1049 A CA -0.448 51.543 52.037 -0.077 0.000 0.857 1049 A CB 0.065 19.033 19.000 -0.055 0.000 1.175 1049 A HN 0.866 nan 8.150 nan 0.000 0.512 1050 I N 2.504 122.984 120.570 -0.149 0.000 2.474 1050 I HA 0.507 4.677 4.170 0.000 0.000 0.294 1050 I C -0.158 175.888 176.117 -0.119 0.000 1.005 1050 I CA -0.659 60.515 61.300 -0.210 0.000 1.113 1050 I CB 2.086 39.835 38.000 -0.419 0.000 1.289 1050 I HN 0.691 nan 8.210 nan 0.000 0.436 1051 R N 6.885 127.332 120.500 -0.088 0.000 2.500 1051 R HA 0.570 4.910 4.340 0.000 0.000 0.299 1051 R C -1.324 174.962 176.300 -0.023 0.000 1.038 1051 R CA -0.659 55.419 56.100 -0.037 0.000 0.903 1051 R CB 1.608 31.890 30.300 -0.030 0.000 1.177 1051 R HN 0.529 nan 8.270 nan 0.000 0.455 1052 I N 2.764 123.329 120.570 -0.010 0.000 2.312 1052 I HA 0.125 4.295 4.170 0.000 0.000 0.291 1052 I C 0.634 176.798 176.117 0.078 0.000 1.031 1052 I CA -0.502 60.783 61.300 -0.024 0.000 1.293 1052 I CB 1.617 39.520 38.000 -0.162 0.000 1.403 1052 I HN 0.547 nan 8.210 nan 0.000 0.484 1053 T N 1.503 116.097 114.554 0.066 0.000 3.414 1053 T HA 0.187 4.537 4.350 0.000 0.000 0.304 1053 T C 0.119 174.915 174.700 0.160 0.000 1.241 1053 T CA -0.569 61.594 62.100 0.106 0.000 1.076 1053 T CB 0.089 68.989 68.868 0.052 0.000 1.134 1053 T HN 0.476 nan 8.240 nan 0.000 0.759 1054 S N 3.239 119.130 115.700 0.319 0.000 2.449 1054 S HA 0.379 4.849 4.470 0.000 0.000 0.310 1054 S C 1.363 176.212 174.600 0.415 0.000 1.096 1054 S CA -1.147 57.266 58.200 0.355 0.000 1.095 1054 S CB 0.479 63.937 63.200 0.431 0.000 1.007 1054 S HN 0.730 nan 8.310 nan 0.000 0.474 1055 L N 2.350 123.724 121.223 0.251 0.000 2.127 1055 L HA 0.057 4.397 4.340 0.000 0.000 0.211 1055 L C 0.550 177.523 176.870 0.171 0.000 1.089 1055 L CA 1.199 56.163 54.840 0.206 0.000 0.757 1055 L CB -0.725 41.406 42.059 0.119 0.000 0.899 1055 L HN 0.590 nan 8.230 nan 0.000 0.434 1056 D N 0.171 120.648 120.400 0.129 0.000 2.280 1056 D HA 0.234 4.874 4.640 0.000 0.000 0.243 1056 D C -2.197 173.944 176.300 -0.264 0.000 1.129 1056 D CA -2.130 51.845 54.000 -0.041 0.000 0.848 1056 D CB 1.723 42.534 40.800 0.017 0.000 1.107 1056 D HN 0.056 nan 8.370 nan 0.000 0.471 1057 P HA 0.018 nan 4.420 nan 0.000 0.225 1057 P C 0.701 177.696 177.300 -0.509 0.000 1.156 1057 P CA 0.716 62.991 63.100 -1.374 0.000 0.787 1057 P CB 0.202 31.036 31.700 -1.442 0.000 0.802 1058 A N -0.562 122.110 122.820 -0.247 0.000 3.033 1058 A HA 0.530 4.850 4.320 0.000 0.000 0.250 1058 A C 0.608 178.223 177.584 0.051 0.000 1.633 1058 A CA -0.003 51.988 52.037 -0.075 0.000 1.290 1058 A CB -1.342 17.620 19.000 -0.064 0.000 1.048 1058 A HN 0.192 nan 8.150 nan 0.000 0.648 1059 A N -0.194 122.736 122.820 0.182 0.000 2.386 1059 A HA 0.727 5.047 4.320 0.000 0.000 0.308 1059 A C -0.511 177.232 177.584 0.265 0.000 1.128 1059 A CA -0.510 51.682 52.037 0.259 0.000 0.789 1059 A CB 1.417 20.653 19.000 0.393 0.000 1.325 1059 A HN 0.809 nan 8.150 nan 0.000 0.437 1060 V N 1.265 121.270 119.914 0.152 0.000 2.334 1060 V HA 0.413 4.533 4.120 0.000 0.000 0.281 1060 V C -0.014 176.122 176.094 0.070 0.000 1.016 1060 V CA -0.732 61.640 62.300 0.120 0.000 0.832 1060 V CB 1.019 32.891 31.823 0.082 0.000 0.999 1060 V HN 0.800 nan 8.190 nan 0.000 0.439 1061 L N 5.626 126.888 121.223 0.065 0.000 2.360 1061 L HA 0.566 4.906 4.340 0.000 0.000 0.276 1061 L C 0.301 177.208 176.870 0.062 0.000 1.121 1061 L CA 0.820 55.661 54.840 0.002 0.000 0.845 1061 L CB 1.371 43.422 42.059 -0.014 0.000 1.143 1061 L HN 0.987 nan 8.230 nan 0.000 0.452 1062 S N 3.986 119.744 115.700 0.097 0.000 2.386 1062 S HA 0.298 4.768 4.470 0.000 0.000 0.152 1062 S C -0.627 174.102 174.600 0.215 0.000 1.511 1062 S CA -0.814 57.467 58.200 0.134 0.000 1.246 1062 S CB 0.388 63.652 63.200 0.107 0.000 1.338 1062 S HN 0.305 nan 8.310 nan 0.000 0.409 1063 V N 3.581 123.601 119.914 0.177 0.000 2.479 1063 V HA 0.347 4.467 4.120 0.000 0.000 0.281 1063 V C 0.204 176.459 176.094 0.268 0.000 1.031 1063 V CA 0.073 62.512 62.300 0.231 0.000 1.038 1063 V CB 0.256 32.193 31.823 0.191 0.000 0.981 1063 V HN 0.925 nan 8.190 nan 0.000 0.478 1064 Q N 3.455 123.440 119.800 0.308 0.000 2.337 1064 Q HA 0.657 4.997 4.340 0.000 0.000 0.270 1064 Q C -0.774 175.340 176.000 0.190 0.000 1.043 1064 Q CA -0.847 55.106 55.803 0.250 0.000 0.794 1064 Q CB 1.854 30.732 28.738 0.233 0.000 1.281 1064 Q HN 0.918 nan 8.270 nan 0.000 0.446 1065 H N 1.920 120.978 119.070 -0.020 0.000 2.547 1065 H HA 0.493 5.049 4.556 0.000 0.000 0.342 1065 H C -0.511 174.763 175.328 -0.090 0.000 1.048 1065 H CA -0.430 55.479 56.048 -0.231 0.000 1.204 1065 H CB 1.107 30.337 29.762 -0.886 0.000 1.493 1065 H HN 0.989 nan 8.280 nan 0.000 0.511 1066 N N 2.761 121.272 118.700 -0.315 0.000 3.003 1066 N HA -0.181 4.559 4.740 0.000 0.000 0.237 1066 N C 0.665 176.140 175.510 -0.059 0.000 0.969 1066 N CA 0.580 53.484 53.050 -0.244 0.000 0.941 1066 N CB -1.060 37.123 38.487 -0.506 0.000 1.098 1066 N HN 1.237 nan 8.380 nan 0.000 0.563 1067 G N -1.035 107.769 108.800 0.005 0.000 2.141 1067 G HA2 -0.246 3.714 3.960 0.000 0.000 0.242 1067 G HA3 -0.246 3.714 3.960 0.000 0.000 0.242 1067 G C -0.208 174.710 174.900 0.031 0.000 0.982 1067 G CA 0.364 45.498 45.100 0.057 0.000 0.662 1067 G HN 0.432 nan 8.290 nan 0.000 0.527 1068 V N 1.167 121.081 119.914 -0.001 0.000 2.638 1068 V HA 0.529 4.649 4.120 0.000 0.000 0.306 1068 V C 0.348 176.470 176.094 0.046 0.000 1.052 1068 V CA -0.715 61.593 62.300 0.012 0.000 0.885 1068 V CB 1.821 33.635 31.823 -0.014 0.000 0.999 1068 V HN 0.566 nan 8.190 nan 0.000 0.424 1069 E N 3.464 123.705 120.200 0.068 0.000 2.383 1069 E HA 0.408 4.758 4.350 0.000 0.000 0.264 1069 E C -0.278 176.398 176.600 0.127 0.000 1.050 1069 E CA -0.524 55.940 56.400 0.107 0.000 0.896 1069 E CB 1.548 31.299 29.700 0.085 0.000 0.982 1069 E HN 0.323 nan 8.360 nan 0.000 0.424 1070 V N 1.897 121.917 119.914 0.177 0.000 3.431 1070 V HA 0.191 4.311 4.120 0.000 0.000 0.255 1070 V C 0.417 176.622 176.094 0.185 0.000 1.403 1070 V CA -0.117 62.307 62.300 0.207 0.000 1.101 1070 V CB 0.039 32.056 31.823 0.323 0.000 0.891 1070 V HN 0.619 nan 8.190 nan 0.000 0.446 1071 I N 1.305 121.965 120.570 0.150 0.000 2.468 1071 I HA 0.743 4.913 4.170 0.000 0.000 0.284 1071 I C -0.062 176.113 176.117 0.097 0.000 1.038 1071 I CA -0.299 61.063 61.300 0.103 0.000 1.083 1071 I CB 1.747 39.750 38.000 0.005 0.000 1.223 1071 I HN 0.164 nan 8.210 nan 0.000 0.443 1072 G N 3.500 112.358 108.800 0.098 0.000 2.701 1072 G HA2 0.792 4.752 3.960 0.000 0.000 0.300 1072 G HA3 0.792 4.752 3.960 0.000 0.000 0.300 1072 G C -0.785 174.165 174.900 0.084 0.000 1.410 1072 G CA -0.924 44.229 45.100 0.088 0.000 1.014 1072 G HN 0.921 nan 8.290 nan 0.000 0.509 1073 G N 0.370 109.221 108.800 0.086 0.000 2.277 1073 G HA2 0.483 4.443 3.960 0.000 0.000 0.272 1073 G HA3 0.483 4.443 3.960 0.000 0.000 0.272 1073 G C -0.249 174.719 174.900 0.113 0.000 1.692 1073 G CA -0.380 44.773 45.100 0.087 0.000 0.926 1073 G HN 0.858 nan 8.290 nan 0.000 0.720 1074 T N 5.026 119.647 114.554 0.113 0.000 2.856 1074 T HA 0.266 4.616 4.350 0.000 0.000 0.329 1074 T C -0.367 174.417 174.700 0.139 0.000 1.094 1074 T CA 0.246 62.432 62.100 0.143 0.000 1.112 1074 T CB 0.887 69.811 68.868 0.093 0.000 1.009 1074 T HN 0.487 nan 8.240 nan 0.000 0.550 1075 P HA -0.305 nan 4.420 nan 0.000 0.219 1075 P C 1.692 179.044 177.300 0.087 0.000 1.159 1075 P CA 2.081 65.261 63.100 0.134 0.000 0.944 1075 P CB -0.559 31.198 31.700 0.094 0.000 0.792 1076 G N 0.551 109.387 108.800 0.059 0.000 2.672 1076 G HA2 -0.235 3.725 3.960 0.000 0.000 0.218 1076 G HA3 -0.235 3.725 3.960 0.000 0.000 0.218 1076 G C 0.729 175.656 174.900 0.046 0.000 1.238 1076 G CA 1.007 46.133 45.100 0.043 0.000 0.791 1076 G HN 0.343 nan 8.290 nan 0.000 0.606 1077 N N -0.445 118.284 118.700 0.048 0.000 2.408 1077 N HA 0.540 5.280 4.740 0.000 0.000 0.280 1077 N C -1.222 174.325 175.510 0.060 0.000 1.002 1077 N CA -0.314 52.763 53.050 0.045 0.000 0.907 1077 N CB 2.430 40.936 38.487 0.031 0.000 1.161 1077 N HN 0.016 nan 8.380 nan 0.000 0.488 1078 V N 3.271 123.223 119.914 0.063 0.000 2.488 1078 V HA 0.387 4.507 4.120 0.000 0.000 0.293 1078 V C 0.022 176.164 176.094 0.080 0.000 1.027 1078 V CA -0.677 61.670 62.300 0.078 0.000 0.862 1078 V CB 1.398 33.275 31.823 0.090 0.000 1.008 1078 V HN 0.528 nan 8.190 nan 0.000 0.428 1079 I N 4.764 125.386 120.570 0.086 0.000 2.379 1079 I HA 0.349 4.519 4.170 0.000 0.000 0.290 1079 I C 0.367 176.571 176.117 0.146 0.000 1.063 1079 I CA 0.352 61.715 61.300 0.105 0.000 1.351 1079 I CB 1.125 39.194 38.000 0.115 0.000 1.410 1079 I HN 0.692 nan 8.210 nan 0.000 0.505 1080 S N 5.057 120.860 115.700 0.171 0.000 2.552 1080 S HA 0.447 4.917 4.470 0.000 0.000 0.314 1080 S C 0.045 174.792 174.600 0.246 0.000 1.099 1080 S CA -0.759 57.569 58.200 0.213 0.000 1.070 1080 S CB 1.912 65.258 63.200 0.243 0.000 0.998 1080 S HN 0.336 nan 8.310 nan 0.000 0.474 1081 V N 1.749 121.814 119.914 0.251 0.000 3.578 1081 V HA 0.293 4.413 4.120 0.000 0.000 0.290 1081 V C 1.829 178.081 176.094 0.263 0.000 1.376 1081 V CA 0.812 63.246 62.300 0.223 0.000 1.083 1081 V CB -0.161 31.754 31.823 0.152 0.000 0.911 1081 V HN 0.995 nan 8.190 nan 0.000 0.433 1082 A N -0.187 122.853 122.820 0.366 0.000 2.267 1082 A HA 0.678 4.998 4.320 0.000 0.000 0.213 1082 A C 1.082 178.897 177.584 0.385 0.000 1.192 1082 A CA 0.757 53.080 52.037 0.477 0.000 0.851 1082 A CB 0.191 19.617 19.000 0.710 0.000 0.881 1082 A HN 0.851 nan 8.150 nan 0.000 0.494 1083 G N -2.043 106.944 108.800 0.312 0.000 2.369 1083 G HA2 0.495 4.455 3.960 0.000 0.000 0.295 1083 G HA3 0.495 4.455 3.960 0.000 0.000 0.295 1083 G C -0.319 174.666 174.900 0.143 0.000 1.298 1083 G CA -0.324 44.837 45.100 0.103 0.000 0.940 1083 G HN 1.300 nan 8.290 nan 0.000 0.536 1084 A N -0.286 122.542 122.820 0.015 0.000 2.473 1084 A HA 0.664 4.984 4.320 0.000 0.000 0.282 1084 A C 0.810 178.477 177.584 0.137 0.000 1.163 1084 A CA 1.292 53.363 52.037 0.056 0.000 0.827 1084 A CB -0.528 18.470 19.000 -0.005 0.000 1.098 1084 A HN 2.364 nan 8.150 nan 0.000 0.515 1085 A N 3.073 126.040 122.820 0.246 0.000 2.293 1085 A HA 0.662 4.982 4.320 0.000 0.000 0.312 1085 A C 0.275 177.956 177.584 0.161 0.000 1.309 1085 A CA 0.154 52.379 52.037 0.315 0.000 0.839 1085 A CB 0.485 19.691 19.000 0.343 0.000 1.155 1085 A HN 1.884 nan 8.150 nan 0.000 0.501 1086 A N 3.900 126.794 122.820 0.124 0.000 2.412 1086 A HA 0.559 4.879 4.320 0.000 0.000 0.334 1086 A C -0.322 177.312 177.584 0.084 0.000 1.419 1086 A CA -0.347 51.741 52.037 0.084 0.000 0.930 1086 A CB 0.074 19.107 19.000 0.056 0.000 1.149 1086 A HN 0.921 nan 8.150 nan 0.000 0.515 1087 L N 3.561 124.842 121.223 0.096 0.000 2.292 1087 L HA 0.578 4.918 4.340 0.000 0.000 0.284 1087 L C -0.498 176.446 176.870 0.124 0.000 1.065 1087 L CA 0.101 55.013 54.840 0.119 0.000 0.806 1087 L CB 1.209 43.355 42.059 0.145 0.000 1.175 1087 L HN 0.903 nan 8.230 nan 0.000 0.431 1088 Q N 4.752 124.626 119.800 0.125 0.000 2.334 1088 Q HA 0.192 4.532 4.340 0.000 0.000 0.249 1088 Q C -1.535 174.504 176.000 0.065 0.000 0.909 1088 Q CA -0.774 55.084 55.803 0.091 0.000 0.823 1088 Q CB 0.955 29.721 28.738 0.048 0.000 1.353 1088 Q HN 0.586 nan 8.270 nan 0.000 0.433 1089 Y N 4.412 124.638 120.300 -0.125 0.000 2.650 1089 Y HA 0.207 4.757 4.550 0.000 0.000 0.342 1089 Y C -0.608 175.183 175.900 -0.182 0.000 1.110 1089 Y CA -0.034 57.874 58.100 -0.319 0.000 1.438 1089 Y CB 0.422 38.470 38.460 -0.686 0.000 1.181 1089 Y HN 0.641 nan 8.280 nan 0.000 0.526 1090 I N 8.445 128.689 120.570 -0.544 0.000 2.396 1090 I HA -0.093 4.077 4.170 0.000 0.000 0.289 1090 I C 1.144 176.928 176.117 -0.555 0.000 1.056 1090 I CA -0.216 60.863 61.300 -0.369 0.000 1.365 1090 I CB 1.237 39.093 38.000 -0.240 0.000 1.407 1090 I HN 0.763 nan 8.210 nan 0.000 0.509 1091 L N 7.382 128.507 121.223 -0.163 0.000 2.017 1091 L HA -0.168 4.172 4.340 0.000 0.000 0.208 1091 L C 2.464 179.301 176.870 -0.054 0.000 1.073 1091 L CA 2.412 57.265 54.840 0.023 0.000 0.745 1091 L CB -0.836 41.283 42.059 0.101 0.000 0.894 1091 L HN 0.792 nan 8.230 nan 0.000 0.432 1092 A N 1.108 123.887 122.820 -0.068 0.000 1.863 1092 A HA -0.312 4.008 4.320 0.000 0.000 0.218 1092 A C 1.834 179.379 177.584 -0.065 0.000 1.233 1092 A CA 2.431 54.437 52.037 -0.053 0.000 0.655 1092 A CB -1.000 17.970 19.000 -0.051 0.000 0.839 1092 A HN 0.666 nan 8.150 nan 0.000 0.454 1093 N N -0.842 117.795 118.700 -0.105 0.000 2.396 1093 N HA -0.035 4.705 4.740 0.000 0.000 0.180 1093 N C 0.098 175.547 175.510 -0.102 0.000 1.028 1093 N CA 1.044 54.040 53.050 -0.090 0.000 0.893 1093 N CB -0.274 38.157 38.487 -0.092 0.000 0.967 1093 N HN 0.665 nan 8.380 nan 0.000 0.440 1094 Q N -0.277 119.395 119.800 -0.214 0.000 2.501 1094 Q HA -0.167 4.173 4.340 0.000 0.000 0.275 1094 Q C -1.113 174.753 176.000 -0.224 0.000 1.074 1094 Q CA 0.617 56.302 55.803 -0.196 0.000 0.974 1094 Q CB -1.844 26.930 28.738 0.061 0.000 1.307 1094 Q HN 0.720 nan 8.270 nan 0.000 0.513 1095 E N -0.267 119.703 120.200 -0.382 0.000 2.275 1095 E HA 0.485 4.835 4.350 0.000 0.000 0.270 1095 E C -0.886 175.669 176.600 -0.075 0.000 0.882 1095 E CA -0.988 55.378 56.400 -0.057 0.000 0.758 1095 E CB 0.934 30.636 29.700 0.003 0.000 1.195 1095 E HN 0.139 nan 8.360 nan 0.000 0.419 1096 F N 2.855 122.730 119.950 -0.124 0.000 2.519 1096 F HA 0.081 4.608 4.527 0.000 0.000 0.375 1096 F C 0.398 176.161 175.800 -0.062 0.000 1.084 1096 F CA -0.998 56.978 58.000 -0.040 0.000 1.147 1096 F CB 0.313 39.366 39.000 0.089 0.000 1.088 1096 F HN 0.376 nan 8.300 nan 0.000 0.555 1097 L N 6.469 127.741 121.223 0.082 0.000 2.325 1097 L HA 0.328 4.668 4.340 0.000 0.000 0.284 1097 L C -0.793 176.104 176.870 0.045 0.000 1.089 1097 L CA -0.486 54.370 54.840 0.028 0.000 0.836 1097 L CB 0.514 42.563 42.059 -0.016 0.000 1.184 1097 L HN 0.540 nan 8.230 nan 0.000 0.444 1098 L N 5.369 126.603 121.223 0.018 0.000 2.259 1098 L HA 0.397 4.737 4.340 0.000 0.000 0.288 1098 L C -0.264 176.618 176.870 0.020 0.000 1.051 1098 L CA 0.096 54.948 54.840 0.019 0.000 0.824 1098 L CB 0.643 42.682 42.059 -0.034 0.000 1.206 1098 L HN 0.574 nan 8.230 nan 0.000 0.429 1099 Q N 5.434 125.261 119.800 0.046 0.000 2.472 1099 Q HA 0.199 4.539 4.340 0.000 0.000 0.227 1099 Q C -1.174 174.884 176.000 0.098 0.000 1.156 1099 Q CA 0.201 56.026 55.803 0.037 0.000 0.924 1099 Q CB 0.330 29.079 28.738 0.019 0.000 1.354 1099 Q HN 0.534 nan 8.270 nan 0.000 0.525 1100 F N 1.143 121.032 119.950 -0.101 0.000 2.495 1100 F HA 0.451 4.978 4.527 0.000 0.000 0.327 1100 F C -0.453 175.286 175.800 -0.102 0.000 1.103 1100 F CA -0.788 57.152 58.000 -0.101 0.000 0.949 1100 F CB 1.997 40.908 39.000 -0.148 0.000 1.142 1100 F HN 0.098 nan 8.300 nan 0.000 0.457 1101 T N 8.324 122.311 114.554 -0.946 0.000 2.864 1101 T HA 0.499 4.849 4.350 0.000 0.000 0.299 1101 T C -3.006 171.013 174.700 -1.136 0.000 1.011 1101 T CA -1.955 59.657 62.100 -0.813 0.000 0.975 1101 T CB 0.997 69.642 68.868 -0.372 0.000 0.962 1101 T HN 0.474 nan 8.240 nan 0.000 0.448 1102 P HA 0.323 nan 4.420 nan 0.000 0.284 1102 P C 0.312 177.483 177.300 -0.215 0.000 1.258 1102 P CA -0.386 62.381 63.100 -0.556 0.000 0.824 1102 P CB 1.482 33.022 31.700 -0.267 0.000 1.038 1103 T N -1.806 112.722 114.554 -0.043 0.000 3.003 1103 T HA 0.304 4.654 4.350 0.000 0.000 0.261 1103 T C 0.464 175.196 174.700 0.054 0.000 1.003 1103 T CA -0.120 61.977 62.100 -0.005 0.000 0.917 1103 T CB -0.315 68.576 68.868 0.038 0.000 1.084 1103 T HN 0.283 nan 8.240 nan 0.000 0.522 1104 L N 1.839 123.133 121.223 0.120 0.000 2.376 1104 L HA 0.657 4.997 4.340 0.000 0.000 0.275 1104 L C -2.914 174.032 176.870 0.126 0.000 0.987 1104 L CA -2.614 52.320 54.840 0.157 0.000 0.828 1104 L CB 1.869 44.077 42.059 0.248 0.000 1.249 1104 L HN -0.204 nan 8.230 nan 0.000 0.409 1105 P HA 0.539 nan 4.420 nan 0.000 0.276 1105 P C -0.114 177.195 177.300 0.014 0.000 1.244 1105 P CA 0.144 63.239 63.100 -0.008 0.000 0.801 1105 P CB 2.165 33.780 31.700 -0.141 0.000 1.006 1106 G N 0.300 109.061 108.800 -0.065 0.000 2.367 1106 G HA2 0.314 4.274 3.960 0.000 0.000 0.272 1106 G HA3 0.314 4.274 3.960 0.000 0.000 0.272 1106 G C -1.781 173.009 174.900 -0.183 0.000 1.271 1106 G CA -0.695 44.306 45.100 -0.165 0.000 0.893 1106 G HN 0.413 nan 8.290 nan 0.000 0.485 1107 I N 1.256 121.741 120.570 -0.141 0.000 2.595 1107 I HA 0.328 4.498 4.170 0.000 0.000 0.275 1107 I C -0.920 175.112 176.117 -0.142 0.000 1.092 1107 I CA -0.291 60.985 61.300 -0.040 0.000 1.145 1107 I CB 0.803 38.887 38.000 0.140 0.000 1.276 1107 I HN 0.215 nan 8.210 nan 0.000 0.497 1108 F N 3.461 123.182 119.950 -0.381 0.000 2.471 1108 F HA 0.128 4.655 4.527 0.000 0.000 0.365 1108 F C 1.043 176.662 175.800 -0.301 0.000 1.095 1108 F CA -0.265 57.498 58.000 -0.394 0.000 1.174 1108 F CB 0.400 38.912 39.000 -0.814 0.000 1.105 1108 F HN 0.392 nan 8.300 nan 0.000 0.535 1109 D N 4.632 125.049 120.400 0.028 0.000 2.422 1109 D HA 0.099 4.739 4.640 0.000 0.000 0.227 1109 D C -0.346 175.901 176.300 -0.087 0.000 1.190 1109 D CA -0.079 53.883 54.000 -0.064 0.000 0.905 1109 D CB 0.907 41.622 40.800 -0.142 0.000 1.034 1109 D HN 0.148 nan 8.370 nan 0.000 0.507 1110 V N 4.804 124.715 119.914 -0.005 0.000 2.540 1110 V HA -0.018 4.102 4.120 0.000 0.000 0.297 1110 V C 0.190 176.185 176.094 -0.165 0.000 1.024 1110 V CA 0.431 62.753 62.300 0.038 0.000 1.105 1110 V CB -0.125 31.764 31.823 0.111 0.000 0.938 1110 V HN 0.329 nan 8.190 nan 0.000 0.482 1111 F N 5.493 125.474 119.950 0.052 0.000 2.460 1111 F HA 0.544 5.071 4.527 0.000 0.000 0.341 1111 F C -0.237 175.551 175.800 -0.021 0.000 1.130 1111 F CA -0.761 57.255 58.000 0.027 0.000 0.962 1111 F CB 1.730 40.755 39.000 0.041 0.000 1.171 1111 F HN 0.274 nan 8.300 nan 0.000 0.436 1112 L N 4.115 125.427 121.223 0.149 0.000 2.301 1112 L HA 0.475 4.815 4.340 0.000 0.000 0.278 1112 L C -0.180 176.737 176.870 0.079 0.000 1.022 1112 L CA 0.034 54.880 54.840 0.009 0.000 0.854 1112 L CB 1.127 43.102 42.059 -0.141 0.000 1.226 1112 L HN 0.537 nan 8.230 nan 0.000 0.429 1113 T N 3.202 117.806 114.554 0.082 0.000 2.795 1113 T HA 0.508 4.858 4.350 0.000 0.000 0.282 1113 T C 0.126 174.870 174.700 0.073 0.000 0.980 1113 T CA -0.166 61.982 62.100 0.080 0.000 1.012 1113 T CB 0.499 69.400 68.868 0.054 0.000 0.936 1113 T HN 0.684 nan 8.240 nan 0.000 0.457 1114 T N 5.328 119.926 114.554 0.072 0.000 2.904 1114 T HA 0.178 4.528 4.350 0.000 0.000 0.290 1114 T C 1.587 176.319 174.700 0.054 0.000 1.018 1114 T CA -0.651 61.492 62.100 0.071 0.000 1.075 1114 T CB 0.928 69.836 68.868 0.067 0.000 0.986 1114 T HN 0.578 nan 8.240 nan 0.000 0.523 1115 L N 2.261 123.513 121.223 0.049 0.000 2.051 1115 L HA 0.046 4.386 4.340 0.000 0.000 0.214 1115 L C 1.182 178.070 176.870 0.029 0.000 1.076 1115 L CA 1.876 56.737 54.840 0.036 0.000 0.758 1115 L CB -0.862 41.214 42.059 0.028 0.000 0.890 1115 L HN 0.743 nan 8.230 nan 0.000 0.433 1116 G N -1.657 107.162 108.800 0.030 0.000 2.415 1116 G HA2 0.611 4.571 3.960 0.000 0.000 0.327 1116 G HA3 0.611 4.571 3.960 0.000 0.000 0.327 1116 G C -0.892 174.026 174.900 0.031 0.000 1.182 1116 G CA 0.558 45.674 45.100 0.027 0.000 0.924 1116 G HN 0.760 nan 8.290 nan 0.000 0.470 1117 Q N 0.357 120.174 119.800 0.028 0.000 1.227 1117 Q HA 0.017 4.357 4.340 0.000 0.000 0.106 1117 Q C -2.872 173.147 176.000 0.031 0.000 1.170 1117 Q CA -0.186 55.636 55.803 0.031 0.000 0.295 1117 Q CB -2.459 nan 28.738 nan 0.000 5.268 1117 Q HN 0.891 nan 8.270 nan 0.000 0.305 1118 P HA 0.418 nan 4.420 nan 0.000 0.270 1118 P C -2.296 175.028 177.300 0.041 0.000 1.223 1118 P CA -0.252 62.864 63.100 0.027 0.000 0.785 1118 P CB 0.229 31.950 31.700 0.035 0.000 0.923 1119 P HA 0.031 nan 4.420 nan 0.000 0.271 1119 P C -0.965 176.438 177.300 0.171 0.000 1.220 1119 P CA 0.300 63.422 63.100 0.038 0.000 0.768 1119 P CB 0.481 32.099 31.700 -0.137 0.000 0.848 1120 V N 6.147 126.208 119.914 0.244 0.000 2.417 1120 V HA 0.306 4.426 4.120 0.000 0.000 0.291 1120 V C -1.891 174.400 176.094 0.328 0.000 1.024 1120 V CA -2.130 60.334 62.300 0.273 0.000 0.861 1120 V CB 1.550 33.466 31.823 0.155 0.000 0.985 1120 V HN 0.568 nan 8.190 nan 0.000 0.436 1121 P HA 0.274 nan 4.420 nan 0.000 0.276 1121 P C -0.434 176.813 177.300 -0.088 0.000 1.230 1121 P CA -0.330 62.676 63.100 -0.156 0.000 0.776 1121 P CB 0.948 32.553 31.700 -0.158 0.000 0.888 1122 R N 2.102 122.516 120.500 -0.143 0.000 2.748 1122 R HA 0.432 4.772 4.340 0.000 0.000 0.395 1122 R C 0.588 176.841 176.300 -0.080 0.000 1.128 1122 R CA -0.093 55.957 56.100 -0.082 0.000 1.042 1122 R CB 0.321 30.585 30.300 -0.060 0.000 1.392 1122 R HN 0.918 nan 8.270 nan 0.000 0.582 1123 G N 0.357 109.092 108.800 -0.108 0.000 2.603 1123 G HA2 -0.192 3.768 3.960 0.000 0.000 0.686 1123 G HA3 -0.192 3.768 3.960 0.000 0.000 0.686 1123 G C -1.142 173.761 174.900 0.006 0.000 1.286 1123 G CA -0.401 44.664 45.100 -0.058 0.000 0.871 1123 G HN 0.119 nan 8.290 nan 0.000 0.568 1124 S N -0.422 115.328 115.700 0.084 0.000 2.720 1124 S HA 0.722 5.192 4.470 0.000 0.000 0.278 1124 S C -0.394 174.360 174.600 0.256 0.000 1.172 1124 S CA -0.078 58.212 58.200 0.150 0.000 1.019 1124 S CB 0.245 63.520 63.200 0.126 0.000 1.049 1124 S HN 1.798 nan 8.310 nan 0.000 0.483 1125 F N 2.226 122.272 119.950 0.160 0.000 2.408 1125 F HA 0.872 5.399 4.527 0.000 0.000 0.325 1125 F C 0.233 176.167 175.800 0.223 0.000 1.082 1125 F CA -0.755 57.340 58.000 0.157 0.000 1.032 1125 F CB 0.855 39.902 39.000 0.079 0.000 1.259 1125 F HN 0.422 nan 8.300 nan 0.000 0.503 1126 T N 1.236 115.894 114.554 0.173 0.000 2.985 1126 T HA 0.492 4.842 4.350 0.000 0.000 0.315 1126 T C -0.754 173.993 174.700 0.079 0.000 1.001 1126 T CA -0.716 61.414 62.100 0.050 0.000 1.016 1126 T CB 0.368 69.212 68.868 -0.040 0.000 0.993 1126 T HN 0.604 nan 8.240 nan 0.000 0.454 1127 I N 5.048 125.699 120.570 0.135 0.000 2.494 1127 I HA 0.147 4.317 4.170 0.000 0.000 0.289 1127 I C 1.443 177.536 176.117 -0.041 0.000 1.106 1127 I CA 0.133 61.484 61.300 0.085 0.000 1.369 1127 I CB -0.159 37.912 38.000 0.118 0.000 1.410 1127 I HN 0.881 nan 8.210 nan 0.000 0.523 1128 T N 5.723 120.231 114.554 -0.076 0.000 2.869 1128 T HA 0.413 4.763 4.350 0.000 0.000 0.295 1128 T C -2.404 172.222 174.700 -0.124 0.000 0.987 1128 T CA -1.796 60.227 62.100 -0.128 0.000 1.109 1128 T CB 1.009 69.823 68.868 -0.090 0.000 0.932 1128 T HN 0.242 nan 8.240 nan 0.000 0.518 1129 P HA 0.127 nan 4.420 nan 0.000 0.266 1129 P C -2.106 175.158 177.300 -0.060 0.000 1.193 1129 P CA -0.865 62.164 63.100 -0.119 0.000 0.770 1129 P CB -0.328 31.456 31.700 0.140 0.000 0.836 1130 P HA 0.081 nan 4.420 nan 0.000 0.270 1130 P C -2.339 175.067 177.300 0.177 0.000 1.223 1130 P CA -1.512 61.577 63.100 -0.019 0.000 0.785 1130 P CB -0.748 30.890 31.700 -0.104 0.000 0.923 1131 P HA -0.062 nan 4.420 nan 0.000 0.252 1131 P C 0.316 177.713 177.300 0.162 0.000 1.183 1131 P CA 0.527 63.696 63.100 0.114 0.000 0.973 1131 P CB -0.734 30.999 31.700 0.056 0.000 0.990 1132 T N 2.939 117.582 114.554 0.147 0.000 2.754 1132 T HA 0.248 4.598 4.350 0.000 0.000 0.282 1132 T C -0.037 174.638 174.700 -0.042 0.000 0.923 1132 T CA 0.553 62.653 62.100 0.000 0.000 1.164 1132 T CB -0.746 67.994 68.868 -0.214 0.000 0.873 1132 T HN 0.537 nan 8.240 nan 0.000 0.537 1133 T N 3.014 117.541 114.554 -0.045 0.000 2.830 1133 T HA 0.569 4.919 4.350 0.000 0.000 0.322 1133 T C -1.677 172.926 174.700 -0.162 0.000 1.501 1133 T CA -0.493 61.548 62.100 -0.099 0.000 1.036 1133 T CB 1.281 70.108 68.868 -0.067 0.000 1.379 1133 T HN 0.800 nan 8.240 nan 0.000 0.493 1134 V N 0.896 120.618 119.914 -0.321 0.000 2.532 1134 V HA 0.950 5.070 4.120 0.000 0.000 0.294 1134 V C -0.118 175.662 176.094 -0.524 0.000 1.036 1134 V CA -0.828 61.192 62.300 -0.467 0.000 0.876 1134 V CB 0.774 32.136 31.823 -0.768 0.000 1.012 1134 V HN 1.291 nan 8.190 nan 0.000 0.432 1135 A N 5.990 128.644 122.820 -0.278 0.000 2.337 1135 A HA 1.008 5.328 4.320 0.000 0.000 0.329 1135 A C -0.717 176.799 177.584 -0.113 0.000 1.146 1135 A CA -0.770 51.156 52.037 -0.184 0.000 0.800 1135 A CB 1.412 20.351 19.000 -0.103 0.000 1.220 1135 A HN 1.112 nan 8.150 nan 0.000 0.472 1136 L N 1.380 122.567 121.223 -0.060 0.000 2.381 1136 L HA 0.434 4.774 4.340 0.000 0.000 0.274 1136 L C -0.561 176.319 176.870 0.016 0.000 0.988 1136 L CA -1.052 53.789 54.840 0.001 0.000 0.824 1136 L CB 1.671 43.758 42.059 0.045 0.000 1.263 1136 L HN 0.515 nan 8.230 nan 0.000 0.410 1137 N N 2.972 121.689 118.700 0.029 0.000 3.127 1137 N HA 0.117 4.857 4.740 0.000 0.000 0.317 1137 N C -0.060 175.481 175.510 0.051 0.000 1.242 1137 N CA -0.105 52.964 53.050 0.033 0.000 1.203 1137 N CB -0.044 38.463 38.487 0.035 0.000 1.462 1137 N HN 0.592 nan 8.380 nan 0.000 0.546 1138 M N 2.533 122.160 119.600 0.044 0.000 2.290 1138 M HA 0.059 4.539 4.480 0.000 0.000 0.356 1138 M C -2.041 174.296 176.300 0.061 0.000 1.448 1138 M CA -1.499 53.833 55.300 0.054 0.000 0.993 1138 M CB 0.132 32.743 32.600 0.018 0.000 1.934 1138 M HN 0.219 nan 8.290 nan 0.000 0.461 1139 P HA 0.296 nan 4.420 nan 0.000 0.271 1139 P C -2.758 174.565 177.300 0.038 0.000 1.218 1139 P CA -1.058 62.078 63.100 0.061 0.000 0.780 1139 P CB -0.374 31.366 31.700 0.067 0.000 0.901 1140 P HA 0.138 nan 4.420 nan 0.000 0.272 1140 P C -1.864 175.435 177.300 -0.002 0.000 1.223 1140 P CA -1.172 61.932 63.100 0.007 0.000 0.784 1140 P CB -0.690 31.012 31.700 0.003 0.000 0.923 1141 P HA -0.189 nan 4.420 nan 0.000 0.217 1141 P C 0.097 177.393 177.300 -0.008 0.000 1.158 1141 P CA 1.697 64.805 63.100 0.012 0.000 0.887 1141 P CB -0.048 31.671 31.700 0.032 0.000 0.792 1142 R N -0.928 119.570 120.500 -0.003 0.000 2.404 1142 R HA 0.374 4.714 4.340 0.000 0.000 0.291 1142 R C 0.300 176.580 176.300 -0.033 0.000 1.025 1142 R CA -0.507 55.586 56.100 -0.012 0.000 0.991 1142 R CB 0.724 31.027 30.300 0.006 0.000 1.053 1142 R HN -0.176 nan 8.270 nan 0.000 0.479 1143 Q N -0.044 119.726 119.800 -0.051 0.000 2.406 1143 Q HA -0.138 4.202 4.340 0.000 0.000 0.164 1143 Q C -1.446 174.496 176.000 -0.097 0.000 0.570 1143 Q CA 1.533 57.302 55.803 -0.056 0.000 1.324 1143 Q CB -1.186 27.532 28.738 -0.033 0.000 1.119 1143 Q HN 0.739 nan 8.270 nan 0.000 1.026 1144 L N 2.047 123.188 121.223 -0.137 0.000 2.333 1144 L HA 0.669 5.009 4.340 0.000 0.000 0.280 1144 L C -1.045 175.573 176.870 -0.419 0.000 1.004 1144 L CA -0.327 54.382 54.840 -0.219 0.000 0.820 1144 L CB 0.816 42.789 42.059 -0.144 0.000 1.247 1144 L HN 0.281 nan 8.230 nan 0.000 0.416 1145 D N 2.136 122.246 120.400 -0.483 0.000 2.450 1145 D HA 0.339 4.979 4.640 0.000 0.000 0.238 1145 D C -0.263 175.610 176.300 -0.712 0.000 1.020 1145 D CA -0.562 53.023 54.000 -0.692 0.000 1.010 1145 D CB 0.923 41.548 40.800 -0.292 0.000 1.342 1145 D HN 0.360 nan 8.370 nan 0.000 0.530 1146 F N -0.960 119.042 119.950 0.086 0.000 2.641 1146 F HA 0.203 4.730 4.527 0.000 0.000 0.302 1146 F C 1.393 177.233 175.800 0.066 0.000 1.098 1146 F CA -0.582 57.501 58.000 0.139 0.000 1.318 1146 F CB -0.453 38.705 39.000 0.263 0.000 1.035 1146 F HN 0.321 nan 8.300 nan 0.000 0.551 1147 T N -2.868 111.737 114.554 0.084 0.000 2.715 1147 T HA -0.021 4.329 4.350 0.000 0.000 0.320 1147 T C 1.268 175.987 174.700 0.032 0.000 1.046 1147 T CA -0.002 62.135 62.100 0.061 0.000 0.983 1147 T CB 0.636 69.515 68.868 0.018 0.000 1.183 1147 T HN 0.083 nan 8.240 nan 0.000 0.522 1148 D N -0.311 120.105 120.400 0.026 0.000 2.097 1148 D HA -0.094 4.546 4.640 0.000 0.000 0.197 1148 D C 0.657 176.961 176.300 0.007 0.000 0.984 1148 D CA 0.537 54.551 54.000 0.024 0.000 0.826 1148 D CB -0.733 40.083 40.800 0.027 0.000 0.973 1148 D HN 0.393 nan 8.370 nan 0.000 0.460 1149 V N 1.581 121.491 119.914 -0.007 0.000 2.452 1149 V HA 0.242 4.362 4.120 0.000 0.000 0.286 1149 V C 1.237 177.264 176.094 -0.112 0.000 0.995 1149 V CA 0.226 62.517 62.300 -0.014 0.000 1.116 1149 V CB 0.151 31.962 31.823 -0.019 0.000 0.954 1149 V HN 0.209 nan 8.190 nan 0.000 0.473 1150 G N 3.928 112.630 108.800 -0.162 0.000 2.364 1150 G HA2 0.207 4.167 3.960 0.000 0.000 0.267 1150 G HA3 0.207 4.167 3.960 0.000 0.000 0.267 1150 G C -0.018 174.442 174.900 -0.734 0.000 1.233 1150 G CA -0.386 44.394 45.100 -0.533 0.000 0.885 1150 G HN 0.740 nan 8.290 nan 0.000 0.490 1151 N N 0.836 119.021 118.700 -0.857 0.000 2.453 1151 N HA 0.241 4.981 4.740 0.000 0.000 0.253 1151 N C -0.455 174.536 175.510 -0.865 0.000 1.252 1151 N CA 0.203 52.813 53.050 -0.733 0.000 0.917 1151 N CB 0.768 38.871 38.487 -0.640 0.000 1.117 1151 N HN 0.615 nan 8.380 nan 0.000 0.442 1152 D N 0.340 120.572 120.400 -0.279 0.000 2.686 1152 D HA 0.345 4.985 4.640 0.000 0.000 0.249 1152 D C -1.430 174.966 176.300 0.161 0.000 1.260 1152 D CA -0.735 53.274 54.000 0.015 0.000 0.910 1152 D CB 0.958 41.818 40.800 0.099 0.000 1.323 1152 D HN 0.425 nan 8.370 nan 0.000 0.561 1153 A N 3.267 126.268 122.820 0.302 0.000 2.276 1153 A HA 0.394 4.714 4.320 0.000 0.000 0.300 1153 A C 0.563 178.228 177.584 0.135 0.000 1.235 1153 A CA -0.851 51.300 52.037 0.191 0.000 0.867 1153 A CB 0.514 19.621 19.000 0.178 0.000 1.137 1153 A HN 0.582 nan 8.150 nan 0.000 0.527 1154 R N 3.456 124.011 120.500 0.092 0.000 2.458 1154 R HA 0.204 4.544 4.340 0.000 0.000 0.303 1154 R C -0.191 176.143 176.300 0.056 0.000 1.013 1154 R CA -0.031 56.112 56.100 0.072 0.000 1.026 1154 R CB -0.097 30.234 30.300 0.052 0.000 0.948 1154 R HN 0.744 nan 8.270 nan 0.000 0.417 1155 I N 1.698 122.303 120.570 0.058 0.000 2.342 1155 I HA 0.282 4.452 4.170 0.000 0.000 0.291 1155 I C -0.605 175.521 176.117 0.014 0.000 1.010 1155 I CA -0.526 60.794 61.300 0.033 0.000 1.308 1155 I CB 1.900 39.931 38.000 0.053 0.000 1.400 1155 I HN 0.366 nan 8.210 nan 0.000 0.488 1156 T N 6.533 121.077 114.554 -0.017 0.000 2.727 1156 T HA 0.409 4.759 4.350 0.000 0.000 0.298 1156 T C -0.540 174.146 174.700 -0.022 0.000 0.942 1156 T CA -0.281 61.810 62.100 -0.014 0.000 0.997 1156 T CB 0.324 69.177 68.868 -0.025 0.000 0.917 1156 T HN 0.790 nan 8.240 nan 0.000 0.487 1157 C N 3.831 123.142 119.300 0.019 0.000 3.171 1157 C HA 0.366 4.826 4.460 0.000 0.000 0.336 1157 C C -1.201 173.849 174.990 0.101 0.000 1.198 1157 C CA -1.054 57.998 59.018 0.056 0.000 1.319 1157 C CB 1.231 29.008 27.740 0.060 0.000 1.682 1157 C HN 0.833 nan 8.230 nan 0.000 0.497 1158 D N 5.691 126.187 120.400 0.161 0.000 2.533 1158 D HA 0.091 4.731 4.640 0.000 0.000 0.236 1158 D C -1.129 175.243 176.300 0.119 0.000 1.137 1158 D CA -0.980 53.101 54.000 0.135 0.000 0.867 1158 D CB 0.688 41.581 40.800 0.156 0.000 1.170 1158 D HN 0.491 nan 8.370 nan 0.000 0.474 1159 P HA -0.249 nan 4.420 nan 0.000 0.218 1159 P C 1.428 178.761 177.300 0.054 0.000 1.146 1159 P CA 1.058 64.196 63.100 0.063 0.000 0.813 1159 P CB 0.077 31.807 31.700 0.050 0.000 0.778 1160 Y N 0.847 121.069 120.300 -0.130 0.000 2.114 1160 Y HA -0.193 4.357 4.550 0.000 0.000 0.282 1160 Y C 0.690 176.448 175.900 -0.236 0.000 1.165 1160 Y CA 1.105 59.052 58.100 -0.255 0.000 1.148 1160 Y CB -1.271 36.891 38.460 -0.496 0.000 0.972 1160 Y HN -0.154 nan 8.280 nan 0.000 0.504 1161 Y N 1.846 122.117 120.300 -0.048 0.000 2.336 1161 Y HA 0.299 4.849 4.550 0.000 0.000 0.335 1161 Y C 0.083 175.941 175.900 -0.070 0.000 1.046 1161 Y CA -0.930 57.092 58.100 -0.130 0.000 1.198 1161 Y CB 0.394 38.849 38.460 -0.009 0.000 1.182 1161 Y HN 0.046 nan 8.280 nan 0.000 0.502 1162 Q N 4.141 123.979 119.800 0.064 0.000 2.296 1162 Q HA 0.426 4.766 4.340 0.000 0.000 0.257 1162 Q C -0.887 175.145 176.000 0.055 0.000 0.942 1162 Q CA -0.361 55.471 55.803 0.048 0.000 0.939 1162 Q CB 1.270 30.023 28.738 0.024 0.000 1.198 1162 Q HN 0.598 nan 8.270 nan 0.000 0.429 1163 L N 1.629 122.887 121.223 0.059 0.000 2.343 1163 L HA 0.796 5.136 4.340 0.000 0.000 0.275 1163 L C -0.272 176.621 176.870 0.039 0.000 1.056 1163 L CA -0.834 54.037 54.840 0.052 0.000 0.804 1163 L CB 1.433 43.537 42.059 0.075 0.000 1.203 1163 L HN 0.627 nan 8.230 nan 0.000 0.440 1164 A N 2.560 125.396 122.820 0.028 0.000 2.408 1164 A HA 0.630 4.950 4.320 0.000 0.000 0.295 1164 A C -0.733 176.874 177.584 0.039 0.000 1.040 1164 A CA -0.492 51.561 52.037 0.027 0.000 0.707 1164 A CB 1.502 20.505 19.000 0.004 0.000 1.235 1164 A HN 0.345 nan 8.150 nan 0.000 0.418 1165 V N 1.178 121.130 119.914 0.064 0.000 2.740 1165 V HA 0.433 4.553 4.120 0.000 0.000 0.303 1165 V C 0.718 176.870 176.094 0.097 0.000 1.054 1165 V CA 0.489 62.839 62.300 0.083 0.000 1.106 1165 V CB 0.076 31.958 31.823 0.098 0.000 0.957 1165 V HN 1.662 nan 8.190 nan 0.000 0.486 1166 C N 4.136 123.520 119.300 0.141 0.000 3.216 1166 C HA 0.727 5.187 4.460 0.000 0.000 0.346 1166 C C -0.827 174.356 174.990 0.323 0.000 1.384 1166 C CA -1.219 57.910 59.018 0.186 0.000 1.208 1166 C CB 0.790 28.622 27.740 0.153 0.000 1.483 1166 C HN 1.071 nan 8.230 nan 0.000 0.453 1167 I N -1.508 119.247 120.570 0.308 0.000 2.693 1167 I HA 0.720 4.890 4.170 0.000 0.000 0.303 1167 I C -0.852 175.427 176.117 0.271 0.000 1.025 1167 I CA -0.719 60.813 61.300 0.386 0.000 1.086 1167 I CB 1.816 39.963 38.000 0.246 0.000 1.268 1167 I HN 0.763 nan 8.210 nan 0.000 0.440 1168 F N 5.023 124.994 119.950 0.036 0.000 2.406 1168 F HA 0.371 4.898 4.527 0.000 0.000 0.358 1168 F C 0.286 175.942 175.800 -0.239 0.000 1.161 1168 F CA -0.271 57.533 58.000 -0.327 0.000 1.185 1168 F CB 0.190 38.795 39.000 -0.657 0.000 1.421 1168 F HN 0.525 nan 8.300 nan 0.000 0.576 1169 K N 5.476 125.549 120.400 -0.546 0.000 2.263 1169 K HA 0.330 4.650 4.320 0.000 0.000 0.272 1169 K C -0.251 175.996 176.600 -0.588 0.000 1.033 1169 K CA -0.302 55.716 56.287 -0.448 0.000 0.884 1169 K CB 0.513 32.834 32.500 -0.300 0.000 1.107 1169 K HN 0.757 nan 8.250 nan 0.000 0.460 1170 D N 2.363 122.496 120.400 -0.446 0.000 3.775 1170 D HA -0.238 4.402 4.640 0.000 0.000 0.161 1170 D C 0.952 176.945 176.300 -0.512 0.000 1.031 1170 D CA 1.758 55.548 54.000 -0.350 0.000 1.081 1170 D CB -1.204 39.437 40.800 -0.266 0.000 0.557 1170 D HN 0.660 nan 8.370 nan 0.000 0.607 1171 G N -0.941 107.620 108.800 -0.398 0.000 2.662 1171 G HA2 0.064 4.024 3.960 0.000 0.000 0.212 1171 G HA3 0.064 4.024 3.960 0.000 0.000 0.212 1171 G C 0.443 175.035 174.900 -0.513 0.000 1.141 1171 G CA 0.448 45.356 45.100 -0.320 0.000 0.797 1171 G HN 0.173 nan 8.290 nan 0.000 0.531 1172 Q N -0.826 118.615 119.800 -0.598 0.000 2.427 1172 Q HA 0.464 4.804 4.340 0.000 0.000 0.232 1172 Q C -1.431 174.111 176.000 -0.765 0.000 1.018 1172 Q CA -0.790 54.709 55.803 -0.506 0.000 0.965 1172 Q CB 0.902 29.504 28.738 -0.226 0.000 1.232 1172 Q HN 0.261 nan 8.270 nan 0.000 0.510 1173 Y N -0.519 119.617 120.300 -0.273 0.000 2.341 1173 Y HA 0.380 4.930 4.550 0.000 0.000 0.337 1173 Y C -0.204 175.620 175.900 -0.126 0.000 1.014 1173 Y CA -0.670 57.310 58.100 -0.199 0.000 1.111 1173 Y CB 1.579 39.997 38.460 -0.070 0.000 1.194 1173 Y HN 0.085 nan 8.280 nan 0.000 0.462 1174 V N 5.139 125.089 119.914 0.060 0.000 2.334 1174 V HA 0.367 4.487 4.120 0.000 0.000 0.281 1174 V C 0.114 176.263 176.094 0.091 0.000 1.016 1174 V CA -1.328 60.999 62.300 0.045 0.000 0.832 1174 V CB 0.975 32.800 31.823 0.002 0.000 0.999 1174 V HN 0.682 nan 8.190 nan 0.000 0.439 1175 R N 2.456 123.003 120.500 0.078 0.000 2.485 1175 R HA 0.059 4.399 4.340 0.000 0.000 0.304 1175 R C 0.044 176.398 176.300 0.091 0.000 0.934 1175 R CA 0.122 56.269 56.100 0.078 0.000 1.102 1175 R CB 0.725 31.056 30.300 0.052 0.000 0.906 1175 R HN 0.565 nan 8.270 nan 0.000 0.407 1176 V N 3.665 123.644 119.914 0.109 0.000 3.051 1176 V HA -0.041 4.079 4.120 0.000 0.000 0.306 1176 V C 0.375 176.532 176.094 0.105 0.000 1.083 1176 V CA -0.363 62.010 62.300 0.122 0.000 1.104 1176 V CB 1.078 32.982 31.823 0.135 0.000 1.027 1176 V HN 0.908 nan 8.190 nan 0.000 0.483 1177 N N 6.633 125.400 118.700 0.112 0.000 2.492 1177 N HA 0.229 4.969 4.740 0.000 0.000 0.260 1177 N C -1.333 174.237 175.510 0.100 0.000 1.215 1177 N CA -0.768 52.342 53.050 0.099 0.000 0.923 1177 N CB 0.923 39.471 38.487 0.103 0.000 1.092 1177 N HN 0.445 nan 8.380 nan 0.000 0.448 1178 P HA -0.187 nan 4.420 nan 0.000 0.218 1178 P C 0.313 177.677 177.300 0.107 0.000 1.146 1178 P CA 1.346 64.495 63.100 0.081 0.000 0.813 1178 P CB 0.275 32.002 31.700 0.046 0.000 0.778 1179 E N 0.208 120.471 120.200 0.106 0.000 2.152 1179 E HA -0.130 4.220 4.350 0.000 0.000 0.192 1179 E C 1.997 178.685 176.600 0.147 0.000 0.983 1179 E CA 0.924 57.396 56.400 0.119 0.000 0.818 1179 E CB -0.303 29.454 29.700 0.095 0.000 0.758 1179 E HN 0.224 nan 8.360 nan 0.000 0.467 1180 K N 0.884 121.370 120.400 0.143 0.000 2.031 1180 K HA 0.028 4.348 4.320 0.000 0.000 0.205 1180 K C 0.244 176.956 176.600 0.187 0.000 1.049 1180 K CA 1.128 57.508 56.287 0.155 0.000 0.939 1180 K CB 0.183 32.772 32.500 0.148 0.000 0.717 1180 K HN 0.054 nan 8.250 nan 0.000 0.438 1181 A N -1.227 121.706 122.820 0.188 0.000 2.610 1181 A HA 0.673 4.993 4.320 0.000 0.000 0.291 1181 A C -1.279 176.419 177.584 0.189 0.000 1.086 1181 A CA -0.189 51.978 52.037 0.217 0.000 0.677 1181 A CB 1.117 20.229 19.000 0.187 0.000 1.278 1181 A HN 0.418 nan 8.150 nan 0.000 0.414 1182 S N -1.383 114.438 115.700 0.202 0.000 2.645 1182 S HA 0.492 4.962 4.470 0.000 0.000 0.268 1182 S C -1.427 173.262 174.600 0.148 0.000 1.110 1182 S CA -0.323 57.964 58.200 0.145 0.000 0.823 1182 S CB 0.725 63.994 63.200 0.114 0.000 1.091 1182 S HN 1.547 nan 8.310 nan 0.000 0.466 1183 V N 2.067 122.038 119.914 0.095 0.000 2.192 1183 V HA 0.326 4.446 4.120 0.000 0.000 0.264 1183 V C -0.137 175.995 176.094 0.063 0.000 1.155 1183 V CA -0.547 61.807 62.300 0.089 0.000 1.005 1183 V CB 0.391 32.255 31.823 0.069 0.000 1.201 1183 V HN 0.711 nan 8.190 nan 0.000 0.468 1184 V N 3.726 123.682 119.914 0.071 0.000 2.485 1184 V HA 0.188 4.308 4.120 0.000 0.000 0.287 1184 V C 0.932 177.051 176.094 0.041 0.000 1.022 1184 V CA 0.359 62.676 62.300 0.028 0.000 1.067 1184 V CB 1.073 32.893 31.823 -0.004 0.000 0.967 1184 V HN 0.898 nan 8.190 nan 0.000 0.479 1185 T N 2.593 117.164 114.554 0.029 0.000 2.770 1185 T HA 0.489 4.839 4.350 0.000 0.000 0.283 1185 T C -0.361 174.358 174.700 0.031 0.000 0.988 1185 T CA -0.971 61.150 62.100 0.036 0.000 0.957 1185 T CB 0.904 69.795 68.868 0.039 0.000 0.930 1185 T HN 0.514 nan 8.240 nan 0.000 0.443 1186 N N 1.984 120.703 118.700 0.033 0.000 2.492 1186 N HA 0.518 5.258 4.740 0.000 0.000 0.289 1186 N C 1.429 176.958 175.510 0.030 0.000 1.133 1186 N CA -0.481 52.586 53.050 0.029 0.000 0.961 1186 N CB 1.462 39.966 38.487 0.028 0.000 1.186 1186 N HN 0.789 nan 8.380 nan 0.000 0.493 1187 A N 2.472 125.310 122.820 0.029 0.000 1.927 1187 A HA -0.132 4.188 4.320 0.000 0.000 0.220 1187 A C -0.396 177.204 177.584 0.026 0.000 1.185 1187 A CA 1.659 53.713 52.037 0.028 0.000 0.639 1187 A CB -1.500 17.516 19.000 0.026 0.000 0.820 1187 A HN 0.600 nan 8.150 nan 0.000 0.451 1188 P HA -0.017 nan 4.420 nan 0.000 0.220 1188 P C -0.345 176.970 177.300 0.026 0.000 1.148 1188 P CA 1.443 64.556 63.100 0.023 0.000 0.803 1188 P CB -0.039 31.674 31.700 0.021 0.000 0.782 1189 N N -2.522 116.196 118.700 0.030 0.000 3.171 1189 N HA 0.121 4.861 4.740 0.000 0.000 0.239 1189 N C -1.325 174.210 175.510 0.042 0.000 1.275 1189 N CA -0.763 52.307 53.050 0.034 0.000 0.920 1189 N CB 0.882 39.389 38.487 0.033 0.000 1.554 1189 N HN -0.265 nan 8.380 nan 0.000 0.504 1190 R N 0.294 120.822 120.500 0.046 0.000 2.265 1190 R HA 0.418 4.758 4.340 0.000 0.000 0.314 1190 R C -1.049 175.291 176.300 0.065 0.000 1.053 1190 R CA -0.204 55.929 56.100 0.055 0.000 0.931 1190 R CB 0.447 30.781 30.300 0.056 0.000 1.024 1190 R HN 0.624 nan 8.270 nan 0.000 0.457 1191 D N 1.899 122.346 120.400 0.079 0.000 2.433 1191 D HA 0.205 4.845 4.640 0.000 0.000 0.236 1191 D C -1.059 175.325 176.300 0.139 0.000 1.026 1191 D CA -0.667 53.395 54.000 0.104 0.000 0.884 1191 D CB 1.570 42.435 40.800 0.108 0.000 1.384 1191 D HN 0.021 nan 8.370 nan 0.000 0.477 1192 L N 2.683 124.009 121.223 0.172 0.000 2.264 1192 L HA 0.334 4.674 4.340 0.000 0.000 0.287 1192 L C -1.080 175.985 176.870 0.324 0.000 1.039 1192 L CA -0.290 54.681 54.840 0.218 0.000 0.829 1192 L CB -0.016 42.152 42.059 0.182 0.000 1.211 1192 L HN 0.591 nan 8.230 nan 0.000 0.427 1193 H N 5.862 125.049 119.070 0.195 0.000 2.527 1193 H HA 0.541 5.097 4.556 0.000 0.000 0.321 1193 H C -1.024 174.455 175.328 0.251 0.000 1.087 1193 H CA -0.126 56.014 56.048 0.152 0.000 1.337 1193 H CB 0.726 30.527 29.762 0.065 0.000 1.440 1193 H HN 0.472 nan 8.280 nan 0.000 0.490 1194 F N 2.356 122.109 119.950 -0.328 0.000 2.631 1194 F HA 0.588 5.115 4.527 0.000 0.000 0.308 1194 F C -2.115 173.571 175.800 -0.190 0.000 1.097 1194 F CA -1.265 56.645 58.000 -0.150 0.000 0.952 1194 F CB 0.583 39.555 39.000 -0.047 0.000 1.307 1194 F HN 0.214 nan 8.300 nan 0.000 0.450 1195 V N 4.295 124.223 119.914 0.023 0.000 2.378 1195 V HA 0.330 4.450 4.120 0.000 0.000 0.288 1195 V C -0.270 175.941 176.094 0.194 0.000 1.016 1195 V CA -0.789 61.506 62.300 -0.008 0.000 0.840 1195 V CB 1.358 33.204 31.823 0.039 0.000 0.994 1195 V HN 0.660 nan 8.190 nan 0.000 0.431 1196 L N 4.473 125.845 121.223 0.248 0.000 2.462 1196 L HA 0.367 4.707 4.340 0.000 0.000 0.272 1196 L C -0.157 176.950 176.870 0.394 0.000 1.166 1196 L CA 0.818 55.937 54.840 0.465 0.000 0.880 1196 L CB -0.029 42.437 42.059 0.679 0.000 1.142 1196 L HN 0.657 nan 8.230 nan 0.000 0.473 1197 D N 1.990 122.599 120.400 0.347 0.000 2.601 1197 D HA 0.341 4.981 4.640 0.000 0.000 0.230 1197 D C 1.176 177.413 176.300 -0.105 0.000 1.106 1197 D CA -0.687 53.357 54.000 0.072 0.000 0.873 1197 D CB 1.831 42.678 40.800 0.078 0.000 1.515 1197 D HN 0.222 nan 8.370 nan 0.000 0.468 1198 L N 0.805 121.778 121.223 -0.416 0.000 2.261 1198 L HA -0.140 4.200 4.340 0.000 0.000 0.216 1198 L C 2.050 178.719 176.870 -0.336 0.000 1.114 1198 L CA 1.102 55.675 54.840 -0.445 0.000 0.777 1198 L CB -0.324 41.647 42.059 -0.147 0.000 0.910 1198 L HN 0.461 nan 8.230 nan 0.000 0.440 1199 A N -0.496 121.981 122.820 -0.572 0.000 2.119 1199 A HA -0.166 4.154 4.320 0.000 0.000 0.217 1199 A C 1.680 179.079 177.584 -0.307 0.000 1.153 1199 A CA 1.292 52.739 52.037 -0.984 0.000 0.692 1199 A CB -0.341 18.306 19.000 -0.588 0.000 0.799 1199 A HN 0.307 nan 8.150 nan 0.000 0.458 1200 D N 0.365 120.730 120.400 -0.059 0.000 2.218 1200 D HA -0.123 4.517 4.640 0.000 0.000 0.204 1200 D C 1.442 177.659 176.300 -0.139 0.000 0.976 1200 D CA 1.234 55.245 54.000 0.018 0.000 0.853 1200 D CB -0.293 40.603 40.800 0.160 0.000 0.939 1200 D HN 0.450 nan 8.370 nan 0.000 0.481 1201 N N -0.617 117.974 118.700 -0.182 0.000 2.270 1201 N HA -0.069 4.671 4.740 0.000 0.000 0.181 1201 N C 1.534 176.620 175.510 -0.707 0.000 1.016 1201 N CA 0.800 53.518 53.050 -0.554 0.000 0.870 1201 N CB -0.006 38.263 38.487 -0.363 0.000 0.979 1201 N HN 0.428 nan 8.380 nan 0.000 0.431 1202 H N -0.862 118.043 119.070 -0.275 0.000 2.329 1202 H HA 0.194 4.750 4.556 0.000 0.000 0.306 1202 H C 0.083 175.458 175.328 0.079 0.000 1.062 1202 H CA 0.590 56.589 56.048 -0.082 0.000 1.364 1202 H CB 0.116 29.843 29.762 -0.057 0.000 1.409 1202 H HN -0.072 nan 8.280 nan 0.000 0.519 1203 V N 4.105 124.130 119.914 0.185 0.000 2.407 1203 V HA 0.176 4.296 4.120 0.000 0.000 0.278 1203 V C 0.412 176.640 176.094 0.223 0.000 1.037 1203 V CA -0.469 61.967 62.300 0.227 0.000 0.900 1203 V CB 1.461 33.417 31.823 0.222 0.000 0.983 1203 V HN 0.172 nan 8.190 nan 0.000 0.459 1204 L N 4.070 125.435 121.223 0.237 0.000 2.332 1204 L HA 0.820 5.160 4.340 0.000 0.000 0.269 1204 L C -0.757 176.061 176.870 -0.087 0.000 1.016 1204 L CA -0.767 54.127 54.840 0.090 0.000 0.809 1204 L CB 1.461 43.430 42.059 -0.150 0.000 1.280 1204 L HN 0.369 nan 8.230 nan 0.000 0.447 1205 L N 1.063 122.147 121.223 -0.233 0.000 2.334 1205 L HA 0.549 4.889 4.340 0.000 0.000 0.270 1205 L C -1.236 175.338 176.870 -0.495 0.000 1.018 1205 L CA -0.633 54.103 54.840 -0.174 0.000 0.811 1205 L CB 1.617 43.636 42.059 -0.066 0.000 1.271 1205 L HN 0.564 nan 8.230 nan 0.000 0.443 1206 Y N 1.157 121.403 120.300 -0.090 0.000 2.406 1206 Y HA 0.453 5.003 4.550 0.000 0.000 0.340 1206 Y C -0.385 175.440 175.900 -0.124 0.000 0.975 1206 Y CA -0.797 57.194 58.100 -0.182 0.000 1.056 1206 Y CB 1.741 40.142 38.460 -0.097 0.000 1.210 1206 Y HN 0.263 nan 8.280 nan 0.000 0.448 1207 L N 3.784 125.044 121.223 0.061 0.000 2.281 1207 L HA 0.421 4.761 4.340 0.000 0.000 0.285 1207 L C -0.658 176.257 176.870 0.075 0.000 1.074 1207 L CA -0.201 54.724 54.840 0.142 0.000 0.817 1207 L CB 0.316 42.565 42.059 0.318 0.000 1.168 1207 L HN 0.678 nan 8.230 nan 0.000 0.434 1208 C N 1.894 121.179 119.300 -0.025 0.000 2.563 1208 C HA 0.196 4.656 4.460 0.000 0.000 0.314 1208 C C 0.202 175.145 174.990 -0.078 0.000 1.199 1208 C CA -0.965 57.974 59.018 -0.132 0.000 1.564 1208 C CB 1.765 29.292 27.740 -0.354 0.000 2.173 1208 C HN 0.726 nan 8.230 nan 0.000 0.485 1209 D N 1.823 122.171 120.400 -0.087 0.000 2.368 1209 D HA 0.134 4.774 4.640 0.000 0.000 0.268 1209 D C -0.129 176.157 176.300 -0.024 0.000 1.298 1209 D CA 0.358 54.332 54.000 -0.042 0.000 0.938 1209 D CB 0.600 41.356 40.800 -0.072 0.000 1.101 1209 D HN 0.294 nan 8.370 nan 0.000 0.509 1210 V N 5.115 125.027 119.914 -0.003 0.000 2.405 1210 V HA 0.307 4.427 4.120 0.000 0.000 0.264 1210 V C 0.812 176.910 176.094 0.006 0.000 1.048 1210 V CA 0.046 62.346 62.300 -0.001 0.000 0.966 1210 V CB 0.486 32.309 31.823 -0.000 0.000 1.015 1210 V HN 0.796 nan 8.190 nan 0.000 0.477 1211 T N 2.969 117.525 114.554 0.003 0.000 2.864 1211 T HA 0.512 4.862 4.350 0.000 0.000 0.289 1211 T C -2.152 172.537 174.700 -0.018 0.000 1.082 1211 T CA -1.953 60.140 62.100 -0.012 0.000 1.009 1211 T CB 1.969 70.830 68.868 -0.011 0.000 1.234 1211 T HN 0.245 nan 8.240 nan 0.000 0.526 1212 P HA 0.005 nan 4.420 nan 0.000 0.219 1212 P C 0.837 178.104 177.300 -0.055 0.000 1.146 1212 P CA 0.786 63.833 63.100 -0.087 0.000 0.808 1212 P CB 0.022 31.604 31.700 -0.198 0.000 0.779 1213 S N -0.954 114.724 115.700 -0.038 0.000 2.640 1213 S HA 0.416 4.886 4.470 0.000 0.000 0.262 1213 S C 0.772 175.382 174.600 0.017 0.000 1.232 1213 S CA -0.391 57.808 58.200 -0.001 0.000 0.988 1213 S CB -0.379 62.830 63.200 0.014 0.000 1.034 1213 S HN 0.095 nan 8.310 nan 0.000 0.569 1214 G N 1.196 110.016 108.800 0.034 0.000 2.313 1214 G HA2 0.381 4.341 3.960 0.000 0.000 0.250 1214 G HA3 0.381 4.341 3.960 0.000 0.000 0.250 1214 G C -0.034 174.900 174.900 0.056 0.000 1.281 1214 G CA -0.225 44.903 45.100 0.048 0.000 0.917 1214 G HN 0.805 nan 8.290 nan 0.000 0.501 1215 L N 1.696 122.949 121.223 0.050 0.000 2.482 1215 L HA 0.596 4.936 4.340 0.000 0.000 0.273 1215 L C 1.206 178.071 176.870 -0.008 0.000 1.228 1215 L CA 0.301 55.151 54.840 0.017 0.000 0.827 1215 L CB 0.068 42.127 42.059 -0.001 0.000 1.099 1215 L HN 1.420 nan 8.230 nan 0.000 0.494 1216 G N 0.796 109.533 108.800 -0.106 0.000 2.225 1216 G HA2 -0.227 3.733 3.960 0.000 0.000 0.264 1216 G HA3 -0.227 3.733 3.960 0.000 0.000 0.264 1216 G C 0.403 175.245 174.900 -0.096 0.000 1.060 1216 G CA 0.372 45.318 45.100 -0.256 0.000 0.833 1216 G HN 0.851 nan 8.290 nan 0.000 0.498 1217 D N -0.570 119.825 120.400 -0.009 0.000 2.259 1217 D HA 0.067 4.707 4.640 0.000 0.000 0.216 1217 D C 2.562 178.857 176.300 -0.009 0.000 0.961 1217 D CA 0.543 54.564 54.000 0.035 0.000 0.878 1217 D CB -0.074 40.753 40.800 0.046 0.000 1.009 1217 D HN 0.508 nan 8.370 nan 0.000 0.490 1218 R N 0.240 120.713 120.500 -0.045 0.000 2.062 1218 R HA 0.118 4.458 4.340 0.000 0.000 0.231 1218 R C 0.961 177.176 176.300 -0.143 0.000 1.136 1218 R CA 0.646 56.689 56.100 -0.095 0.000 0.948 1218 R CB 0.307 30.513 30.300 -0.156 0.000 0.845 1218 R HN 0.159 nan 8.270 nan 0.000 0.430 1219 I N -0.252 120.216 120.570 -0.170 0.000 2.439 1219 I HA 0.276 4.446 4.170 0.000 0.000 0.283 1219 I C -0.863 175.218 176.117 -0.060 0.000 1.023 1219 I CA -0.286 60.940 61.300 -0.123 0.000 1.100 1219 I CB 1.837 39.718 38.000 -0.199 0.000 1.238 1219 I HN 0.047 nan 8.210 nan 0.000 0.445 1220 A N 7.321 130.139 122.820 -0.003 0.000 2.631 1220 A HA 0.237 4.557 4.320 0.000 0.000 0.294 1220 A C 0.028 177.706 177.584 0.156 0.000 1.156 1220 A CA -0.489 51.528 52.037 -0.032 0.000 0.963 1220 A CB -0.318 18.633 19.000 -0.083 0.000 1.202 1220 A HN 0.730 nan 8.150 nan 0.000 0.523 1221 F N 1.922 121.886 119.950 0.023 0.000 2.629 1221 F HA 0.378 4.905 4.527 0.000 0.000 0.377 1221 F C -2.535 173.307 175.800 0.069 0.000 1.101 1221 F CA -1.902 56.121 58.000 0.038 0.000 1.301 1221 F CB 0.292 39.279 39.000 -0.022 0.000 1.062 1221 F HN 0.101 nan 8.300 nan 0.000 0.583 1222 P HA 0.294 nan 4.420 nan 0.000 0.296 1222 P C -0.563 175.980 177.300 -1.262 0.000 1.306 1222 P CA -0.284 62.199 63.100 -1.028 0.000 0.818 1222 P CB 1.434 32.707 31.700 -0.712 0.000 0.969 1223 I N 3.873 123.777 120.570 -1.110 0.000 2.421 1223 I HA 0.003 4.173 4.170 0.000 0.000 0.291 1223 I C 1.439 177.299 176.117 -0.428 0.000 1.089 1223 I CA -0.085 60.817 61.300 -0.663 0.000 1.354 1223 I CB 0.737 38.490 38.000 -0.411 0.000 1.413 1223 I HN 0.145 nan 8.210 nan 0.000 0.513 1224 V N 4.805 124.547 119.914 -0.287 0.000 3.621 1224 V HA -0.014 4.106 4.120 0.000 0.000 0.285 1224 V C 0.930 177.003 176.094 -0.034 0.000 1.346 1224 V CA 0.610 62.783 62.300 -0.211 0.000 1.104 1224 V CB -0.362 31.331 31.823 -0.218 0.000 0.913 1224 V HN 0.717 nan 8.190 nan 0.000 0.432 1225 D N 0.882 121.243 120.400 -0.065 0.000 2.214 1225 D HA 0.062 4.702 4.640 0.000 0.000 0.217 1225 D C 1.904 178.146 176.300 -0.096 0.000 0.973 1225 D CA 0.849 54.815 54.000 -0.057 0.000 0.880 1225 D CB -0.059 40.702 40.800 -0.066 0.000 1.031 1225 D HN 0.301 nan 8.370 nan 0.000 0.468 1226 I N 0.266 120.715 120.570 -0.202 0.000 2.850 1226 I HA -0.205 3.965 4.170 0.000 0.000 0.266 1226 I C 1.535 177.590 176.117 -0.104 0.000 1.257 1226 I CA 0.740 61.878 61.300 -0.270 0.000 1.465 1226 I CB -0.148 37.535 38.000 -0.529 0.000 1.091 1226 I HN 0.087 nan 8.210 nan 0.000 0.467 1227 Y N 1.415 121.600 120.300 -0.190 0.000 2.517 1227 Y HA 0.058 4.608 4.550 0.000 0.000 0.281 1227 Y C 2.202 178.024 175.900 -0.129 0.000 1.125 1227 Y CA 0.881 58.892 58.100 -0.150 0.000 1.283 1227 Y CB 0.057 38.410 38.460 -0.179 0.000 1.042 1227 Y HN -0.047 nan 8.280 nan 0.000 0.547 1228 R N -0.240 120.229 120.500 -0.051 0.000 2.344 1228 R HA 0.280 4.620 4.340 0.000 0.000 0.209 1228 R C 0.133 176.329 176.300 -0.173 0.000 0.886 1228 R CA -0.123 55.910 56.100 -0.112 0.000 1.040 1228 R CB 0.436 30.744 30.300 0.013 0.000 1.114 1228 R HN 0.144 nan 8.270 nan 0.000 0.547 1229 I N 3.090 123.550 120.570 -0.184 0.000 3.136 1229 I HA -0.181 3.989 4.170 0.000 0.000 0.298 1229 I C 0.545 176.410 176.117 -0.420 0.000 1.232 1229 I CA 0.154 61.324 61.300 -0.218 0.000 1.379 1229 I CB -0.107 37.791 38.000 -0.171 0.000 1.411 1229 I HN 0.138 nan 8.210 nan 0.000 0.532 1230 A N 8.110 130.775 122.820 -0.258 0.000 2.454 1230 A HA 0.367 4.687 4.320 0.000 0.000 0.260 1230 A C -0.331 177.062 177.584 -0.320 0.000 1.106 1230 A CA -0.208 51.678 52.037 -0.251 0.000 0.780 1230 A CB -0.143 18.796 19.000 -0.102 0.000 1.044 1230 A HN 0.505 nan 8.150 nan 0.000 0.498 1231 F N 4.886 124.749 119.950 -0.145 0.000 2.445 1231 F HA 0.319 4.846 4.527 0.000 0.000 0.359 1231 F C -0.830 174.797 175.800 -0.288 0.000 1.101 1231 F CA -1.551 56.210 58.000 -0.398 0.000 1.177 1231 F CB 0.398 39.193 39.000 -0.341 0.000 1.110 1231 F HN 0.508 nan 8.300 nan 0.000 0.522 1232 P HA 0.199 nan 4.420 nan 0.000 0.302 1232 P C 0.168 177.441 177.300 -0.045 0.000 1.301 1232 P CA -0.212 62.855 63.100 -0.055 0.000 0.745 1232 P CB 1.034 32.744 31.700 0.016 0.000 1.331 1233 R N -1.413 119.075 120.500 -0.020 0.000 2.279 1233 R HA 0.152 4.492 4.340 0.000 0.000 0.195 1233 R C 0.046 176.346 176.300 -0.001 0.000 0.905 1233 R CA 0.337 56.417 56.100 -0.032 0.000 1.044 1233 R CB -1.059 29.214 30.300 -0.045 0.000 1.056 1233 R HN 0.418 nan 8.270 nan 0.000 0.535 1234 N N 1.750 120.468 118.700 0.029 0.000 3.301 1234 N HA 0.160 4.900 4.740 0.000 0.000 0.289 1234 N C -1.113 174.451 175.510 0.090 0.000 1.343 1234 N CA 0.037 53.118 53.050 0.052 0.000 1.136 1234 N CB 1.010 39.528 38.487 0.052 0.000 1.402 1234 N HN 0.136 nan 8.380 nan 0.000 0.516 1235 T N -3.166 111.444 114.554 0.092 0.000 2.913 1235 T HA 0.252 4.602 4.350 0.000 0.000 0.341 1235 T C -3.302 171.467 174.700 0.115 0.000 1.855 1235 T CA -1.215 60.967 62.100 0.136 0.000 1.049 1235 T CB 1.107 70.129 68.868 0.257 0.000 1.769 1235 T HN -0.200 nan 8.240 nan 0.000 0.511 1236 P HA 0.544 nan 4.420 nan 0.000 0.278 1236 P C -0.701 176.638 177.300 0.065 0.000 1.238 1236 P CA -0.615 62.532 63.100 0.078 0.000 0.794 1236 P CB 0.814 32.560 31.700 0.076 0.000 0.955 1237 V N 0.207 120.089 119.914 -0.052 0.000 2.789 1237 V HA 0.590 4.710 4.120 0.000 0.000 0.311 1237 V C -0.523 175.471 176.094 -0.167 0.000 1.073 1237 V CA -1.105 61.111 62.300 -0.140 0.000 0.921 1237 V CB 2.418 34.032 31.823 -0.347 0.000 1.009 1237 V HN 0.286 nan 8.190 nan 0.000 0.426 1238 R N 2.663 123.095 120.500 -0.114 0.000 2.196 1238 R HA 0.715 5.055 4.340 0.000 0.000 0.340 1238 R C -0.044 176.213 176.300 -0.072 0.000 1.043 1238 R CA -0.123 55.941 56.100 -0.059 0.000 0.883 1238 R CB 1.681 31.991 30.300 0.016 0.000 1.078 1238 R HN 1.035 nan 8.270 nan 0.000 0.462 1239 A N 2.720 125.520 122.820 -0.033 0.000 2.294 1239 A HA 0.339 4.659 4.320 0.000 0.000 0.316 1239 A C 0.402 178.075 177.584 0.149 0.000 1.359 1239 A CA -0.488 51.577 52.037 0.047 0.000 0.956 1239 A CB 0.419 19.394 19.000 -0.040 0.000 1.155 1239 A HN 0.794 nan 8.150 nan 0.000 0.544 1240 S N 2.418 118.242 115.700 0.206 0.000 2.623 1240 S HA 0.812 5.282 4.470 0.000 0.000 0.287 1240 S C -0.375 174.339 174.600 0.191 0.000 1.123 1240 S CA -0.620 57.691 58.200 0.184 0.000 1.016 1240 S CB 0.320 63.608 63.200 0.147 0.000 1.233 1240 S HN 0.601 nan 8.310 nan 0.000 0.512 1241 L N 2.168 123.453 121.223 0.103 0.000 2.334 1241 L HA 0.544 4.884 4.340 0.000 0.000 0.276 1241 L C -1.606 175.277 176.870 0.021 0.000 1.014 1241 L CA -2.382 52.433 54.840 -0.043 0.000 0.815 1241 L CB 1.418 43.236 42.059 -0.403 0.000 1.268 1241 L HN 0.446 nan 8.230 nan 0.000 0.428 1242 P HA -0.152 nan 4.420 nan 0.000 0.214 1242 P C -0.824 176.570 177.300 0.157 0.000 1.163 1242 P CA 1.794 64.901 63.100 0.011 0.000 0.883 1242 P CB 0.165 31.778 31.700 -0.145 0.000 0.788 1243 Y N -5.610 114.738 120.300 0.079 0.000 2.788 1243 Y HA 0.400 4.950 4.550 0.000 0.000 0.335 1243 Y C 1.582 177.598 175.900 0.193 0.000 1.287 1243 Y CA -0.447 57.733 58.100 0.132 0.000 1.068 1243 Y CB -0.891 37.633 38.460 0.106 0.000 1.340 1243 Y HN -0.265 nan 8.280 nan 0.000 0.449 1244 T N -2.611 112.222 114.554 0.465 0.000 2.897 1244 T HA 0.027 4.377 4.350 0.000 0.000 0.271 1244 T C 1.202 176.106 174.700 0.340 0.000 1.084 1244 T CA 1.370 63.741 62.100 0.452 0.000 1.123 1244 T CB -0.771 68.255 68.868 0.263 0.000 0.865 1244 T HN 1.109 nan 8.240 nan 0.000 0.496 1245 G N 0.067 109.084 108.800 0.361 0.000 3.863 1245 G HA2 0.563 4.523 3.960 0.000 0.000 0.290 1245 G HA3 0.563 4.523 3.960 0.000 0.000 0.290 1245 G C 0.242 175.201 174.900 0.099 0.000 1.018 1245 G CA -0.155 45.094 45.100 0.249 0.000 0.824 1245 G HN 0.758 nan 8.290 nan 0.000 0.507 1246 G N -0.708 107.864 108.800 -0.381 0.000 2.495 1246 G HA2 0.609 4.569 3.960 0.000 0.000 0.318 1246 G HA3 0.609 4.569 3.960 0.000 0.000 0.318 1246 G C -0.332 174.291 174.900 -0.462 0.000 1.257 1246 G CA -0.302 44.409 45.100 -0.648 0.000 0.962 1246 G HN 0.415 nan 8.290 nan 0.000 0.483 1247 G N -0.845 107.789 108.800 -0.277 0.000 2.454 1247 G HA2 0.888 4.848 3.960 0.000 0.000 0.329 1247 G HA3 0.888 4.848 3.960 0.000 0.000 0.329 1247 G C -0.428 174.350 174.900 -0.204 0.000 1.177 1247 G CA 0.140 45.104 45.100 -0.227 0.000 0.951 1247 G HN 1.301 nan 8.290 nan 0.000 0.485 1248 A N 0.639 123.316 122.820 -0.239 0.000 2.533 1248 A HA 0.999 5.319 4.320 0.000 0.000 0.293 1248 A C -1.020 176.411 177.584 -0.255 0.000 1.228 1248 A CA -0.673 51.159 52.037 -0.341 0.000 0.689 1248 A CB 1.719 20.313 19.000 -0.677 0.000 1.303 1248 A HN 1.689 nan 8.150 nan 0.000 0.444 1249 H N -1.128 117.688 119.070 -0.424 0.000 3.121 1249 H HA 0.491 5.047 4.556 0.000 0.000 0.337 1249 H C -2.261 172.914 175.328 -0.255 0.000 1.198 1249 H CA -0.720 55.151 56.048 -0.295 0.000 1.274 1249 H CB 0.014 29.665 29.762 -0.184 0.000 1.954 1249 H HN 0.583 nan 8.280 nan 0.000 0.531 1250 L N 2.159 123.342 121.223 -0.066 0.000 2.343 1250 L HA 0.553 4.893 4.340 0.000 0.000 0.275 1250 L C 0.224 177.239 176.870 0.241 0.000 1.056 1250 L CA -0.650 54.221 54.840 0.053 0.000 0.804 1250 L CB 1.902 44.095 42.059 0.223 0.000 1.203 1250 L HN 0.882 nan 8.230 nan 0.000 0.440 1251 T N -2.302 112.358 114.554 0.177 0.000 3.103 1251 T HA 0.304 4.654 4.350 0.000 0.000 0.352 1251 T C -0.381 174.364 174.700 0.074 0.000 1.048 1251 T CA -0.676 61.532 62.100 0.179 0.000 1.175 1251 T CB 0.781 69.746 68.868 0.162 0.000 1.029 1251 T HN 0.361 nan 8.240 nan 0.000 0.498 1252 S N 2.163 117.877 115.700 0.024 0.000 2.465 1252 S HA 0.507 4.977 4.470 0.000 0.000 0.280 1252 S C 1.563 176.107 174.600 -0.093 0.000 1.232 1252 S CA 0.243 58.338 58.200 -0.175 0.000 1.066 1252 S CB 0.241 63.178 63.200 -0.438 0.000 0.929 1252 S HN 1.695 nan 8.310 nan 0.000 0.494 1253 G N 2.464 111.207 108.800 -0.094 0.000 2.198 1253 G HA2 -0.047 3.913 3.960 0.000 0.000 0.260 1253 G HA3 -0.047 3.913 3.960 0.000 0.000 0.260 1253 G C 0.843 175.733 174.900 -0.017 0.000 1.025 1253 G CA 0.154 45.220 45.100 -0.057 0.000 0.769 1253 G HN 1.941 nan 8.290 nan 0.000 0.507 1254 G N -1.810 106.992 108.800 0.004 0.000 2.182 1254 G HA2 -0.104 3.856 3.960 0.000 0.000 0.248 1254 G HA3 -0.104 3.856 3.960 0.000 0.000 0.248 1254 G C -0.237 174.682 174.900 0.031 0.000 1.042 1254 G CA 0.467 45.580 45.100 0.023 0.000 0.775 1254 G HN 1.529 nan 8.290 nan 0.000 0.501 1255 N N -0.010 118.718 118.700 0.047 0.000 2.371 1255 N HA 0.533 5.273 4.740 0.000 0.000 0.291 1255 N C -2.964 172.606 175.510 0.101 0.000 1.053 1255 N CA -1.658 51.427 53.050 0.057 0.000 0.870 1255 N CB 2.175 40.692 38.487 0.051 0.000 1.503 1255 N HN -0.130 nan 8.380 nan 0.000 0.485 1256 P HA -0.036 nan 4.420 nan 0.000 0.245 1256 P C -0.008 177.348 177.300 0.093 0.000 1.347 1256 P CA 0.093 63.238 63.100 0.075 0.000 1.314 1256 P CB -0.335 31.358 31.700 -0.012 0.000 1.679 1257 F N 3.314 123.277 119.950 0.022 0.000 2.146 1257 F HA 0.081 4.608 4.527 0.000 0.000 0.298 1257 F C 0.866 176.666 175.800 0.001 0.000 1.096 1257 F CA 1.125 59.140 58.000 0.025 0.000 1.275 1257 F CB 0.230 39.276 39.000 0.078 0.000 1.008 1257 F HN 0.150 nan 8.300 nan 0.000 0.480 1258 M N -0.721 118.780 119.600 -0.164 0.000 3.012 1258 M HA 0.327 4.807 4.480 0.000 0.000 0.272 1258 M C -1.791 174.428 176.300 -0.136 0.000 1.187 1258 M CA -0.519 54.575 55.300 -0.342 0.000 0.813 1258 M CB 1.823 34.064 32.600 -0.598 0.000 1.626 1258 M HN -0.073 nan 8.290 nan 0.000 0.507 1259 S N 1.934 117.506 115.700 -0.213 0.000 2.647 1259 S HA 0.463 4.933 4.470 0.000 0.000 0.300 1259 S C 0.123 174.562 174.600 -0.268 0.000 1.129 1259 S CA -0.975 57.122 58.200 -0.172 0.000 1.029 1259 S CB 1.459 64.573 63.200 -0.143 0.000 1.007 1259 S HN 0.644 nan 8.310 nan 0.000 0.484 1260 L N 2.254 123.312 121.223 -0.275 0.000 2.131 1260 L HA -0.008 4.332 4.340 0.000 0.000 0.206 1260 L C 2.865 179.604 176.870 -0.217 0.000 1.087 1260 L CA 1.925 56.591 54.840 -0.289 0.000 0.767 1260 L CB -1.880 40.006 42.059 -0.288 0.000 0.917 1260 L HN 0.949 nan 8.230 nan 0.000 0.441 1261 T N -0.207 114.228 114.554 -0.199 0.000 2.720 1261 T HA -0.110 4.240 4.350 0.000 0.000 0.268 1261 T C 0.884 175.517 174.700 -0.113 0.000 1.037 1261 T CA 1.604 63.607 62.100 -0.162 0.000 1.144 1261 T CB -0.186 68.602 68.868 -0.133 0.000 0.864 1261 T HN 0.470 nan 8.240 nan 0.000 0.444 1262 T N 1.177 115.658 114.554 -0.122 0.000 2.815 1262 T HA 0.616 4.966 4.350 0.000 0.000 0.289 1262 T C -3.139 171.482 174.700 -0.131 0.000 1.000 1262 T CA -2.040 60.002 62.100 -0.097 0.000 0.958 1262 T CB 1.650 70.464 68.868 -0.090 0.000 0.944 1262 T HN -0.024 nan 8.240 nan 0.000 0.442 1263 P HA 0.268 nan 4.420 nan 0.000 0.265 1263 P C -2.368 174.866 177.300 -0.109 0.000 1.222 1263 P CA -0.902 62.135 63.100 -0.105 0.000 0.767 1263 P CB -0.451 31.272 31.700 0.037 0.000 0.801 1264 P HA 0.005 nan 4.420 nan 0.000 0.266 1264 P C 0.899 178.152 177.300 -0.079 0.000 1.215 1264 P CA 0.256 63.273 63.100 -0.138 0.000 0.763 1264 P CB 0.480 32.063 31.700 -0.195 0.000 0.806 1265 A N 3.774 126.558 122.820 -0.061 0.000 1.985 1265 A HA -0.168 4.152 4.320 0.000 0.000 0.223 1265 A C 1.013 178.580 177.584 -0.029 0.000 1.189 1265 A CA 1.954 53.969 52.037 -0.036 0.000 0.658 1265 A CB -0.668 18.310 19.000 -0.036 0.000 0.820 1265 A HN 0.481 nan 8.150 nan 0.000 0.464 1266 V N 0.236 120.123 119.914 -0.045 0.000 2.569 1266 V HA 0.507 4.627 4.120 0.000 0.000 0.301 1266 V C -0.593 175.466 176.094 -0.058 0.000 1.044 1266 V CA -1.036 61.242 62.300 -0.036 0.000 0.874 1266 V CB 1.464 33.267 31.823 -0.033 0.000 1.002 1266 V HN 0.362 nan 8.190 nan 0.000 0.424 1267 L N 7.815 129.016 121.223 -0.036 0.000 2.461 1267 L HA 0.374 4.714 4.340 0.000 0.000 0.272 1267 L C -1.831 174.997 176.870 -0.069 0.000 1.197 1267 L CA -1.313 53.493 54.840 -0.057 0.000 0.836 1267 L CB 0.446 42.518 42.059 0.021 0.000 1.105 1267 L HN 0.504 nan 8.230 nan 0.000 0.477 1268 P HA 0.046 nan 4.420 nan 0.000 0.270 1268 P C -0.741 176.570 177.300 0.018 0.000 1.223 1268 P CA -0.429 62.602 63.100 -0.115 0.000 0.785 1268 P CB 0.495 31.988 31.700 -0.345 0.000 0.923 1269 A N 2.155 125.008 122.820 0.055 0.000 2.550 1269 A HA 0.356 4.676 4.320 0.000 0.000 0.263 1269 A C 1.368 179.027 177.584 0.126 0.000 1.065 1269 A CA 0.789 52.876 52.037 0.083 0.000 0.786 1269 A CB -1.788 17.261 19.000 0.081 0.000 0.985 1269 A HN 0.914 nan 8.150 nan 0.000 0.518 1270 G N 1.204 110.063 108.800 0.098 0.000 2.142 1270 G HA2 -0.038 3.922 3.960 0.000 0.000 0.225 1270 G HA3 -0.038 3.922 3.960 0.000 0.000 0.225 1270 G C -0.108 174.864 174.900 0.119 0.000 1.015 1270 G CA 0.017 45.179 45.100 0.105 0.000 0.716 1270 G HN 1.551 nan 8.290 nan 0.000 0.508 1271 V N -0.227 119.754 119.914 0.113 0.000 2.540 1271 V HA 0.953 5.073 4.120 0.000 0.000 0.302 1271 V C 0.402 176.567 176.094 0.118 0.000 1.035 1271 V CA 0.017 62.393 62.300 0.126 0.000 0.873 1271 V CB 1.531 33.436 31.823 0.136 0.000 0.992 1271 V HN 1.510 nan 8.190 nan 0.000 0.428 1272 A N 4.172 127.063 122.820 0.118 0.000 2.583 1272 A HA 0.876 5.196 4.320 0.000 0.000 0.289 1272 A C -1.510 176.080 177.584 0.009 0.000 1.151 1272 A CA -0.718 51.365 52.037 0.078 0.000 0.695 1272 A CB 1.327 20.349 19.000 0.037 0.000 1.290 1272 A HN 0.571 nan 8.150 nan 0.000 0.419 1273 L N 0.964 122.128 121.223 -0.100 0.000 2.417 1273 L HA 0.545 4.885 4.340 0.000 0.000 0.268 1273 L C 1.140 177.933 176.870 -0.129 0.000 1.158 1273 L CA 0.235 54.923 54.840 -0.253 0.000 0.819 1273 L CB 0.593 42.494 42.059 -0.263 0.000 1.112 1273 L HN 0.960 nan 8.230 nan 0.000 0.458 1274 A N 2.328 125.071 122.820 -0.129 0.000 2.296 1274 A HA 0.539 4.859 4.320 0.000 0.000 0.264 1274 A C 1.140 178.700 177.584 -0.041 0.000 1.097 1274 A CA 0.403 52.407 52.037 -0.055 0.000 0.811 1274 A CB 0.308 19.289 19.000 -0.032 0.000 1.072 1274 A HN 0.911 nan 8.150 nan 0.000 0.495 1275 A N -0.250 122.562 122.820 -0.014 0.000 1.929 1275 A HA 0.285 4.605 4.320 0.000 0.000 0.216 1275 A C 0.820 178.404 177.584 -0.000 0.000 1.176 1275 A CA 1.152 53.186 52.037 -0.005 0.000 0.628 1275 A CB -0.548 18.456 19.000 0.007 0.000 0.816 1275 A HN 0.589 nan 8.150 nan 0.000 0.444 1276 L N -1.897 119.330 121.223 0.008 0.000 2.492 1276 L HA 0.470 4.810 4.340 0.000 0.000 0.263 1276 L C 0.574 177.452 176.870 0.014 0.000 1.062 1276 L CA 0.216 55.069 54.840 0.021 0.000 0.817 1276 L CB 1.211 43.295 42.059 0.041 0.000 1.441 1276 L HN -0.047 nan 8.230 nan 0.000 0.493 1277 S N -1.525 114.194 115.700 0.032 0.000 2.384 1277 S HA 0.099 4.569 4.470 0.000 0.000 0.227 1277 S C 0.910 175.553 174.600 0.071 0.000 1.257 1277 S CA -0.319 57.904 58.200 0.039 0.000 1.249 1277 S CB 0.100 63.320 63.200 0.033 0.000 1.018 1277 S HN 0.674 nan 8.310 nan 0.000 0.478 1278 T N 1.445 116.044 114.554 0.074 0.000 2.896 1278 T HA -0.124 4.226 4.350 0.000 0.000 0.270 1278 T C 1.194 175.966 174.700 0.118 0.000 1.104 1278 T CA 0.996 63.154 62.100 0.097 0.000 1.115 1278 T CB -0.182 68.741 68.868 0.092 0.000 0.843 1278 T HN 0.543 nan 8.240 nan 0.000 0.523 1279 S N 0.600 116.378 115.700 0.129 0.000 2.599 1279 S HA -0.027 4.443 4.470 0.000 0.000 0.303 1279 S C 1.599 176.304 174.600 0.175 0.000 1.267 1279 S CA -0.428 57.872 58.200 0.165 0.000 1.055 1279 S CB 0.427 63.762 63.200 0.225 0.000 0.790 1279 S HN 0.167 nan 8.310 nan 0.000 0.500 1280 V N 5.402 125.423 119.914 0.179 0.000 2.453 1280 V HA -0.247 3.873 4.120 0.000 0.000 0.252 1280 V C 2.510 178.722 176.094 0.196 0.000 1.068 1280 V CA 2.391 64.801 62.300 0.183 0.000 1.070 1280 V CB -1.323 30.619 31.823 0.198 0.000 0.664 1280 V HN 0.976 nan 8.190 nan 0.000 0.461 1281 A N -2.193 120.778 122.820 0.252 0.000 2.169 1281 A HA -0.012 4.308 4.320 0.000 0.000 0.212 1281 A C 1.860 179.515 177.584 0.119 0.000 1.153 1281 A CA 1.401 53.581 52.037 0.238 0.000 0.756 1281 A CB -0.374 18.887 19.000 0.435 0.000 0.813 1281 A HN 0.562 nan 8.150 nan 0.000 0.471 1282 T N -1.151 113.476 114.554 0.121 0.000 9.270 1282 T HA -0.290 4.060 4.350 0.000 0.000 0.360 1282 T C 0.965 175.658 174.700 -0.012 0.000 1.823 1282 T CA 2.358 64.496 62.100 0.063 0.000 2.748 1282 T CB -1.443 67.459 68.868 0.057 0.000 2.671 1282 T HN 0.928 nan 8.240 nan 0.000 1.169 1283 Q N -0.586 119.138 119.800 -0.126 0.000 2.186 1283 Q HA 0.427 4.767 4.340 0.000 0.000 0.241 1283 Q C -0.685 175.029 176.000 -0.477 0.000 0.849 1283 Q CA -0.506 55.120 55.803 -0.295 0.000 1.053 1283 Q CB 0.349 28.860 28.738 -0.379 0.000 1.146 1283 Q HN 0.609 nan 8.270 nan 0.000 0.475 1284 Y N 1.038 121.354 120.300 0.028 0.000 2.553 1284 Y HA 0.505 5.055 4.550 0.000 0.000 0.347 1284 Y C -2.424 173.481 175.900 0.009 0.000 1.019 1284 Y CA -2.812 55.305 58.100 0.030 0.000 1.032 1284 Y CB 1.488 39.977 38.460 0.049 0.000 1.284 1284 Y HN 0.029 nan 8.280 nan 0.000 0.466 1285 P HA 0.137 nan 4.420 nan 0.000 0.274 1285 P C -0.429 176.851 177.300 -0.032 0.000 1.246 1285 P CA -0.265 62.808 63.100 -0.046 0.000 0.795 1285 P CB 1.386 32.963 31.700 -0.206 0.000 1.006 1286 T N 0.911 115.367 114.554 -0.163 0.000 3.209 1286 T HA 0.331 4.681 4.350 0.000 0.000 0.366 1286 T C -0.679 173.971 174.700 -0.083 0.000 1.293 1286 T CA -0.635 61.449 62.100 -0.027 0.000 1.417 1286 T CB -1.230 67.656 68.868 0.030 0.000 1.013 1286 T HN 0.121 nan 8.240 nan 0.000 0.572 1287 Y N 2.828 123.124 120.300 -0.005 0.000 2.712 1287 Y HA 0.252 4.802 4.550 0.000 0.000 0.333 1287 Y C 1.678 177.552 175.900 -0.044 0.000 1.225 1287 Y CA -0.062 58.025 58.100 -0.021 0.000 1.499 1287 Y CB 0.372 38.814 38.460 -0.031 0.000 1.288 1287 Y HN 0.504 nan 8.280 nan 0.000 0.575 1288 T N 2.943 117.544 114.554 0.079 0.000 2.758 1288 T HA 0.591 4.941 4.350 0.000 0.000 0.285 1288 T C -0.437 174.265 174.700 0.003 0.000 0.981 1288 T CA -1.119 60.989 62.100 0.014 0.000 0.965 1288 T CB 0.709 69.585 68.868 0.015 0.000 0.927 1288 T HN 0.258 nan 8.240 nan 0.000 0.448 1289 L N 3.969 125.122 121.223 -0.116 0.000 2.416 1289 L HA 0.496 4.836 4.340 0.000 0.000 0.262 1289 L C -1.618 175.236 176.870 -0.027 0.000 1.093 1289 L CA -2.649 52.102 54.840 -0.150 0.000 0.801 1289 L CB 0.287 41.889 42.059 -0.761 0.000 1.191 1289 L HN 0.387 nan 8.230 nan 0.000 0.459 1290 P HA 0.082 nan 4.420 nan 0.000 0.206 1290 P C -0.919 176.473 177.300 0.153 0.000 1.093 1290 P CA 0.505 63.683 63.100 0.131 0.000 0.703 1290 P CB 0.296 32.089 31.700 0.155 0.000 0.622 1291 A N -1.818 121.102 122.820 0.167 0.000 2.449 1291 A HA 0.727 5.047 4.320 0.000 0.000 0.302 1291 A C -0.238 177.339 177.584 -0.013 0.000 1.048 1291 A CA 0.040 52.147 52.037 0.116 0.000 0.708 1291 A CB 1.390 20.423 19.000 0.055 0.000 1.274 1291 A HN 0.521 nan 8.150 nan 0.000 0.410 1292 G N -1.035 107.675 108.800 -0.151 0.000 2.441 1292 G HA2 0.559 4.519 3.960 0.000 0.000 0.225 1292 G HA3 0.559 4.519 3.960 0.000 0.000 0.225 1292 G C -0.541 174.060 174.900 -0.499 0.000 1.200 1292 G CA 0.561 45.363 45.100 -0.498 0.000 0.947 1292 G HN 1.998 nan 8.290 nan 0.000 0.484 1293 V N -1.543 117.973 119.914 -0.663 0.000 2.727 1293 V HA 0.547 4.667 4.120 0.000 0.000 0.336 1293 V C -0.378 175.493 176.094 -0.371 0.000 1.228 1293 V CA -1.037 61.040 62.300 -0.371 0.000 1.270 1293 V CB -1.037 30.652 31.823 -0.223 0.000 1.486 1293 V HN 0.571 nan 8.190 nan 0.000 0.638 1294 Y N 0.470 120.646 120.300 -0.206 0.000 2.788 1294 Y HA 0.311 4.861 4.550 0.000 0.000 0.341 1294 Y C 1.053 176.902 175.900 -0.086 0.000 1.258 1294 Y CA 0.450 58.421 58.100 -0.215 0.000 1.503 1294 Y CB 0.349 38.640 38.460 -0.281 0.000 1.325 1294 Y HN 0.496 nan 8.280 nan 0.000 0.614 1295 E N 2.108 122.366 120.200 0.097 0.000 2.518 1295 E HA 0.084 4.434 4.350 0.000 0.000 0.240 1295 E C -1.536 175.107 176.600 0.072 0.000 0.996 1295 E CA -0.730 55.729 56.400 0.100 0.000 0.768 1295 E CB 0.673 30.412 29.700 0.065 0.000 1.329 1295 E HN 0.528 nan 8.360 nan 0.000 0.408 1296 Y N 2.084 122.377 120.300 -0.011 0.000 2.717 1296 Y HA -0.003 4.547 4.550 0.000 0.000 0.330 1296 Y C -0.256 175.417 175.900 -0.377 0.000 1.217 1296 Y CA 0.517 58.499 58.100 -0.196 0.000 1.506 1296 Y CB 0.473 38.834 38.460 -0.164 0.000 1.268 1296 Y HN 0.180 nan 8.280 nan 0.000 0.561 1297 V N 9.468 129.063 119.914 -0.532 0.000 2.443 1297 V HA 0.193 4.313 4.120 0.000 0.000 0.272 1297 V C 0.151 175.982 176.094 -0.439 0.000 1.002 1297 V CA -1.039 60.981 62.300 -0.468 0.000 0.840 1297 V CB 0.679 32.137 31.823 -0.610 0.000 1.042 1297 V HN 0.793 nan 8.190 nan 0.000 0.446 1298 I N 0.000 120.426 120.570 -0.239 0.000 2.984 1298 I HA 0.000 4.170 4.170 0.000 0.000 0.288 1298 I CA 0.000 61.253 61.300 -0.079 0.000 1.566 1298 I CB 0.000 38.032 38.000 0.053 0.000 1.214 1298 I HN 0.000 nan 8.210 nan 0.000 0.494