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 2nub_1_A DATA FIRST_RESID 1 DATA SEQUENCE MGKEALLNLY RIEYRPKDTT FTVFKPTHEI QKEKLNKVRW RVFLQTGLPT DATA SEQUENCE FRREDEFWCA GKVEKDTLYL TLSNGEIVEL KRVGEEEFRG FQNERECQEL DATA SEQUENCE FRDFLTKTKV KDKFISDFYK KFRDKITVQG KNRXIALIPE VNEKVLKSEE DATA SEQUENCE GYFLLHLDLK FRIQPFETLQ TLLERXXFNP KRIRVKPIGI DFVGRVQDVF DATA SEQUENCE KAKEKGEEFF RLCMERSTHK SSKKAWEELL KNRELREKAF LVVLXXXYTY DATA SEQUENCE PATILKPVLT YXXXXXXXXX XVADIVRMEP GKRLNLIRYI LRRYVKALRD DATA SEQUENCE YGWYISPEEE RAKGKLNFKD TVLDAKGKNT KVITNLRKFL ELCRPFVKKD DATA SEQUENCE VLSVEIISVS VYKKLEWRKE EFLKELINFL KNKGIKLKIK GKSLILAQTR DATA SEQUENCE EEAKEKLIPV INKIKDVDLV IVFLEEYPKV DPYKSFLLYD FVKRELLKKM DATA SEQUENCE IPSQVILNRT LKNENLKFVL LNVAEQVLAK TGNIPYKLKE IEGKVDAFVG DATA SEQUENCE IDISRITRDG KTVNAVAFTK IFNSKGELVR YYLTSYPAFG EKLTEKAIGD DATA SEQUENCE VFSLLEKLGF KKGSKIVVHR DGRLYRDEVA AFKKYGELYG YSLELLEIIK DATA SEQUENCE RNNPRFFSNE KFIKGYFYKL SEDSVILATY NQVYEGTHQP IKVRKVYGEL DATA SEQUENCE PVEVLCSQIL SLTLMNYSSF QPIKLPATVH YSDKITKLML RGIEPIKKEG DATA SEQUENCE DIMYWL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.325 176.300 0.042 0.000 1.140 1 M CA 0.000 55.265 55.300 -0.059 0.000 0.988 1 M CB 0.000 32.488 32.600 -0.187 0.000 1.302 2 G N 0.684 109.529 108.800 0.074 0.000 3.111 2 G HA2 0.423 4.387 3.960 0.006 0.000 0.158 2 G HA3 0.423 4.387 3.960 0.006 0.000 0.158 2 G C -1.833 173.145 174.900 0.129 0.000 1.161 2 G CA -0.315 44.886 45.100 0.167 0.000 1.025 2 G HN 0.716 nan 8.290 nan 0.000 0.619 3 K N 1.281 121.782 120.400 0.169 0.000 2.206 3 K HA 0.417 4.741 4.320 0.006 0.000 0.264 3 K C 0.056 176.745 176.600 0.148 0.000 0.967 3 K CA -0.183 56.165 56.287 0.101 0.000 0.844 3 K CB 2.048 34.575 32.500 0.045 0.000 1.099 3 K HN 0.609 nan 8.250 nan 0.000 0.441 4 E N 2.455 122.710 120.200 0.091 0.000 3.225 4 E HA -0.161 4.193 4.350 0.006 0.000 0.289 4 E C -1.350 175.345 176.600 0.158 0.000 0.885 4 E CA 0.616 57.074 56.400 0.097 0.000 0.986 4 E CB 0.297 30.032 29.700 0.059 0.000 0.971 4 E HN 0.673 nan 8.360 nan 0.000 0.508 5 A N 4.211 127.154 122.820 0.205 0.000 2.449 5 A HA 0.594 4.918 4.320 0.006 0.000 0.302 5 A C -1.526 176.247 177.584 0.314 0.000 1.048 5 A CA -0.826 51.361 52.037 0.250 0.000 0.708 5 A CB 1.287 20.436 19.000 0.249 0.000 1.274 5 A HN 0.426 nan 8.150 nan 0.000 0.410 6 L N 1.145 122.584 121.223 0.359 0.000 2.334 6 L HA 0.675 5.019 4.340 0.006 0.000 0.272 6 L C -0.368 176.754 176.870 0.421 0.000 1.020 6 L CA -0.199 54.826 54.840 0.309 0.000 0.812 6 L CB 1.528 43.683 42.059 0.161 0.000 1.264 6 L HN 0.665 nan 8.230 nan 0.000 0.439 7 L N 2.459 123.767 121.223 0.142 0.000 2.365 7 L HA 0.438 4.782 4.340 0.006 0.000 0.273 7 L C -0.118 176.668 176.870 -0.140 0.000 1.000 7 L CA -0.772 54.061 54.840 -0.012 0.000 0.819 7 L CB 1.827 43.697 42.059 -0.314 0.000 1.284 7 L HN 0.668 nan 8.230 nan 0.000 0.418 8 N N 5.244 123.959 118.700 0.024 0.000 3.127 8 N HA 0.124 4.867 4.740 0.006 0.000 0.317 8 N C -0.990 174.307 175.510 -0.356 0.000 1.242 8 N CA 0.153 53.094 53.050 -0.182 0.000 1.203 8 N CB -0.099 38.415 38.487 0.046 0.000 1.462 8 N HN 0.440 nan 8.380 nan 0.000 0.546 9 L N 1.362 122.213 121.223 -0.619 0.000 2.410 9 L HA 0.465 4.809 4.340 0.006 0.000 0.270 9 L C -1.275 175.171 176.870 -0.707 0.000 0.983 9 L CA -1.041 53.530 54.840 -0.448 0.000 0.822 9 L CB 1.455 43.297 42.059 -0.362 0.000 1.285 9 L HN 0.114 nan 8.230 nan 0.000 0.409 10 Y N 1.266 121.529 120.300 -0.062 0.000 2.373 10 Y HA 0.417 4.971 4.550 0.006 0.000 0.336 10 Y C 0.102 176.017 175.900 0.025 0.000 0.979 10 Y CA -0.805 57.272 58.100 -0.039 0.000 1.080 10 Y CB 1.657 40.057 38.460 -0.101 0.000 1.190 10 Y HN 0.484 nan 8.280 nan 0.000 0.446 11 R N 3.523 124.146 120.500 0.206 0.000 2.537 11 R HA 0.255 4.599 4.340 0.006 0.000 0.281 11 R C -1.015 175.395 176.300 0.183 0.000 0.988 11 R CA 0.351 56.612 56.100 0.268 0.000 1.077 11 R CB 0.169 30.558 30.300 0.147 0.000 0.932 11 R HN 0.890 nan 8.270 nan 0.000 0.409 12 I N 2.639 123.383 120.570 0.290 0.000 2.785 12 I HA 0.380 4.554 4.170 0.006 0.000 0.302 12 I C -1.001 175.416 176.117 0.499 0.000 1.069 12 I CA -0.669 60.806 61.300 0.291 0.000 1.045 12 I CB 1.978 40.093 38.000 0.191 0.000 1.236 12 I HN 0.763 nan 8.210 nan 0.000 0.429 13 E N 4.393 124.946 120.200 0.589 0.000 2.372 13 E HA 0.236 4.589 4.350 0.006 0.000 0.279 13 E C -2.091 174.794 176.600 0.476 0.000 0.946 13 E CA -0.659 56.073 56.400 0.553 0.000 0.769 13 E CB 2.800 32.812 29.700 0.520 0.000 1.230 13 E HN 0.433 nan 8.360 nan 0.000 0.442 14 Y N 2.209 122.504 120.300 -0.009 0.000 2.594 14 Y HA 0.430 4.983 4.550 0.006 0.000 0.338 14 Y C -1.402 174.366 175.900 -0.219 0.000 1.019 14 Y CA -0.889 56.954 58.100 -0.429 0.000 1.306 14 Y CB 0.602 38.451 38.460 -1.019 0.000 1.094 14 Y HN 0.371 nan 8.280 nan 0.000 0.534 15 R N 6.268 126.579 120.500 -0.315 0.000 2.402 15 R HA 0.402 4.746 4.340 0.006 0.000 0.290 15 R C -2.804 173.295 176.300 -0.336 0.000 1.321 15 R CA -1.678 54.231 56.100 -0.318 0.000 1.283 15 R CB 0.556 30.759 30.300 -0.162 0.000 1.111 15 R HN 0.377 nan 8.270 nan 0.000 0.578 16 P HA 0.192 nan 4.420 nan 0.000 0.278 16 P C -0.330 176.903 177.300 -0.112 0.000 1.258 16 P CA -0.569 62.356 63.100 -0.292 0.000 0.811 16 P CB 1.656 33.131 31.700 -0.376 0.000 1.063 17 K N -0.195 120.189 120.400 -0.027 0.000 1.991 17 K HA -0.040 4.284 4.320 0.006 0.000 0.207 17 K C 0.922 177.543 176.600 0.034 0.000 1.045 17 K CA 0.994 57.280 56.287 -0.000 0.000 0.937 17 K CB -0.210 32.300 32.500 0.016 0.000 0.720 17 K HN 0.487 nan 8.250 nan 0.000 0.438 18 D N 1.897 122.344 120.400 0.078 0.000 2.545 18 D HA -0.030 4.614 4.640 0.006 0.000 0.227 18 D C 0.385 176.803 176.300 0.197 0.000 1.150 18 D CA 0.224 54.299 54.000 0.125 0.000 1.046 18 D CB 0.543 41.428 40.800 0.141 0.000 1.098 18 D HN 0.240 nan 8.370 nan 0.000 0.502 19 T N -0.732 113.919 114.554 0.161 0.000 3.219 19 T HA -0.066 4.288 4.350 0.006 0.000 0.264 19 T C 0.835 175.729 174.700 0.324 0.000 1.178 19 T CA 0.117 62.344 62.100 0.212 0.000 1.057 19 T CB -0.313 68.619 68.868 0.108 0.000 0.919 19 T HN 0.055 nan 8.240 nan 0.000 0.545 20 T N 3.069 117.829 114.554 0.343 0.000 2.761 20 T HA 0.505 4.858 4.350 0.006 0.000 0.296 20 T C -0.856 174.201 174.700 0.595 0.000 0.934 20 T CA -0.253 62.059 62.100 0.354 0.000 1.091 20 T CB 0.016 69.005 68.868 0.201 0.000 0.896 20 T HN 0.167 nan 8.240 nan 0.000 0.515 21 F N 1.311 121.346 119.950 0.143 0.000 2.579 21 F HA 0.503 5.033 4.527 0.006 0.000 0.324 21 F C 0.647 176.433 175.800 -0.023 0.000 1.058 21 F CA -1.340 56.738 58.000 0.129 0.000 0.944 21 F CB 1.957 41.142 39.000 0.308 0.000 1.245 21 F HN 0.303 nan 8.300 nan 0.000 0.477 22 T N 2.057 116.693 114.554 0.137 0.000 2.770 22 T HA 0.514 4.867 4.350 0.006 0.000 0.283 22 T C -0.765 173.974 174.700 0.064 0.000 0.988 22 T CA -0.505 61.631 62.100 0.060 0.000 0.957 22 T CB 1.540 70.520 68.868 0.186 0.000 0.930 22 T HN 0.382 nan 8.240 nan 0.000 0.443 23 V N 4.066 123.866 119.914 -0.191 0.000 2.612 23 V HA 0.713 4.836 4.120 0.006 0.000 0.301 23 V C -1.460 174.652 176.094 0.030 0.000 1.046 23 V CA -0.755 61.428 62.300 -0.194 0.000 0.946 23 V CB 1.111 32.527 31.823 -0.678 0.000 1.003 23 V HN 0.812 nan 8.190 nan 0.000 0.459 24 F N 4.944 124.893 119.950 -0.002 0.000 2.577 24 F HA 0.531 5.062 4.527 0.006 0.000 0.344 24 F C 0.271 176.162 175.800 0.151 0.000 1.145 24 F CA -0.813 57.217 58.000 0.049 0.000 0.996 24 F CB 1.553 40.572 39.000 0.032 0.000 1.248 24 F HN 0.306 nan 8.300 nan 0.000 0.447 25 K N 3.923 124.445 120.400 0.204 0.000 2.154 25 K HA 0.446 4.770 4.320 0.006 0.000 0.264 25 K C -2.372 174.351 176.600 0.206 0.000 1.008 25 K CA -1.502 54.905 56.287 0.200 0.000 0.937 25 K CB 0.962 33.524 32.500 0.104 0.000 1.002 25 K HN 0.201 nan 8.250 nan 0.000 0.469 26 P HA 0.103 nan 4.420 nan 0.000 0.277 26 P C 0.136 177.519 177.300 0.138 0.000 1.276 26 P CA -0.268 62.945 63.100 0.188 0.000 0.788 26 P CB 0.647 32.478 31.700 0.220 0.000 1.114 27 T N -2.651 111.996 114.554 0.155 0.000 3.033 27 T HA 0.060 4.413 4.350 0.006 0.000 0.248 27 T C 0.638 175.432 174.700 0.157 0.000 1.040 27 T CA 1.224 63.419 62.100 0.158 0.000 1.133 27 T CB -0.375 68.621 68.868 0.214 0.000 0.895 27 T HN 0.403 nan 8.240 nan 0.000 0.465 28 H N 1.100 120.209 119.070 0.064 0.000 3.447 28 H HA 0.465 5.025 4.556 0.006 0.000 0.179 28 H C 0.419 175.788 175.328 0.069 0.000 1.588 28 H CA -0.614 55.470 56.048 0.060 0.000 1.691 28 H CB 0.456 30.253 29.762 0.057 0.000 1.109 28 H HN 0.142 nan 8.280 nan 0.000 0.929 29 E N 1.605 121.932 120.200 0.213 0.000 2.214 29 E HA 0.228 4.582 4.350 0.006 0.000 0.274 29 E C -0.263 176.420 176.600 0.139 0.000 0.977 29 E CA -0.754 55.728 56.400 0.137 0.000 0.827 29 E CB 1.741 31.501 29.700 0.100 0.000 1.130 29 E HN 0.589 nan 8.360 nan 0.000 0.394 30 I N -0.304 120.340 120.570 0.122 0.000 2.705 30 I HA -0.038 4.135 4.170 0.006 0.000 0.291 30 I C 0.782 176.963 176.117 0.106 0.000 1.146 30 I CA -0.145 61.230 61.300 0.126 0.000 1.383 30 I CB 0.048 38.111 38.000 0.105 0.000 1.454 30 I HN 0.414 nan 8.210 nan 0.000 0.581 31 Q N 5.571 125.437 119.800 0.110 0.000 2.594 31 Q HA -0.103 4.241 4.340 0.006 0.000 0.219 31 Q C 1.109 177.161 176.000 0.086 0.000 0.980 31 Q CA 0.849 56.706 55.803 0.090 0.000 0.962 31 Q CB -0.252 28.536 28.738 0.083 0.000 0.987 31 Q HN 0.831 nan 8.270 nan 0.000 0.553 32 K N -1.064 119.392 120.400 0.094 0.000 9.975 32 K HA -0.384 3.940 4.320 0.006 0.000 0.513 32 K C 1.309 177.962 176.600 0.088 0.000 0.494 32 K CA 2.233 58.571 56.287 0.086 0.000 1.777 32 K CB -1.200 31.339 32.500 0.065 0.000 0.904 32 K HN 0.266 nan 8.250 nan 0.000 1.142 33 E N 0.684 120.928 120.200 0.074 0.000 2.160 33 E HA -0.204 4.149 4.350 0.006 0.000 0.195 33 E C 1.930 178.580 176.600 0.084 0.000 0.991 33 E CA 1.979 58.421 56.400 0.070 0.000 0.810 33 E CB -0.158 29.577 29.700 0.058 0.000 0.742 33 E HN 0.661 nan 8.360 nan 0.000 0.466 34 K N 0.717 121.174 120.400 0.095 0.000 2.243 34 K HA 0.017 4.340 4.320 0.006 0.000 0.201 34 K C 2.309 178.999 176.600 0.150 0.000 1.051 34 K CA 0.369 56.721 56.287 0.107 0.000 0.970 34 K CB -0.310 32.246 32.500 0.093 0.000 0.755 34 K HN 0.007 nan 8.250 nan 0.000 0.465 35 L N 1.840 123.170 121.223 0.178 0.000 1.997 35 L HA -0.226 4.117 4.340 0.006 0.000 0.216 35 L C 1.823 178.874 176.870 0.302 0.000 1.074 35 L CA 1.451 56.458 54.840 0.279 0.000 0.763 35 L CB -0.687 41.501 42.059 0.215 0.000 0.890 35 L HN 0.388 nan 8.230 nan 0.000 0.434 36 N N -0.529 118.293 118.700 0.204 0.000 2.575 36 N HA -0.090 4.654 4.740 0.006 0.000 0.192 36 N C 1.456 177.081 175.510 0.191 0.000 1.200 36 N CA 0.553 53.716 53.050 0.189 0.000 0.897 36 N CB 0.259 38.814 38.487 0.114 0.000 0.990 36 N HN 0.323 nan 8.380 nan 0.000 0.449 37 K N 0.214 120.733 120.400 0.198 0.000 2.216 37 K HA 0.158 4.482 4.320 0.006 0.000 0.207 37 K C 1.956 178.683 176.600 0.213 0.000 1.041 37 K CA 0.291 56.712 56.287 0.223 0.000 0.966 37 K CB -0.514 32.086 32.500 0.168 0.000 0.955 37 K HN -0.154 nan 8.250 nan 0.000 0.468 38 V N 2.545 122.537 119.914 0.131 0.000 2.439 38 V HA -0.256 3.868 4.120 0.006 0.000 0.253 38 V C 2.595 178.600 176.094 -0.148 0.000 1.074 38 V CA 1.976 64.260 62.300 -0.026 0.000 1.076 38 V CB -0.551 31.248 31.823 -0.040 0.000 0.664 38 V HN 0.331 nan 8.190 nan 0.000 0.461 39 R N -1.322 119.237 120.500 0.098 0.000 2.073 39 R HA -0.213 4.131 4.340 0.006 0.000 0.229 39 R C 2.194 178.604 176.300 0.182 0.000 1.120 39 R CA 1.950 58.150 56.100 0.168 0.000 0.967 39 R CB -0.374 30.197 30.300 0.451 0.000 0.862 39 R HN 0.607 nan 8.270 nan 0.000 0.436 40 W N 2.024 123.351 121.300 0.045 0.000 2.338 40 W HA -0.135 4.528 4.660 0.006 0.000 0.304 40 W C 1.913 178.471 176.519 0.064 0.000 1.212 40 W CA 1.414 58.802 57.345 0.072 0.000 1.264 40 W CB -0.242 29.252 29.460 0.057 0.000 1.142 40 W HN 0.004 nan 8.180 nan 0.000 0.512 41 R N -0.444 119.981 120.500 -0.125 0.000 2.115 41 R HA -0.108 4.236 4.340 0.006 0.000 0.230 41 R C 2.016 178.138 176.300 -0.297 0.000 1.111 41 R CA 1.584 57.481 56.100 -0.340 0.000 0.976 41 R CB -0.896 29.265 30.300 -0.233 0.000 0.870 41 R HN 0.158 nan 8.270 nan 0.000 0.445 42 V N 1.113 120.880 119.914 -0.246 0.000 2.343 42 V HA -0.252 3.872 4.120 0.006 0.000 0.247 42 V C 1.981 177.965 176.094 -0.183 0.000 1.051 42 V CA 1.651 63.773 62.300 -0.297 0.000 1.036 42 V CB -0.626 30.971 31.823 -0.377 0.000 0.654 42 V HN 0.180 nan 8.190 nan 0.000 0.451 43 F N 0.962 120.769 119.950 -0.238 0.000 2.011 43 F HA -0.224 4.307 4.527 0.006 0.000 0.296 43 F C 2.097 177.744 175.800 -0.255 0.000 1.144 43 F CA 1.830 59.709 58.000 -0.201 0.000 1.185 43 F CB -0.860 38.084 39.000 -0.094 0.000 0.961 43 F HN 0.032 nan 8.300 nan 0.000 0.485 44 L N 0.091 120.999 121.223 -0.526 0.000 1.963 44 L HA -0.332 4.012 4.340 0.006 0.000 0.220 44 L C 2.649 179.246 176.870 -0.456 0.000 1.076 44 L CA 2.079 56.542 54.840 -0.629 0.000 0.772 44 L CB -1.386 40.314 42.059 -0.598 0.000 0.892 44 L HN 0.280 nan 8.230 nan 0.000 0.435 45 Q N -0.671 118.913 119.800 -0.360 0.000 2.112 45 Q HA -0.212 4.132 4.340 0.006 0.000 0.206 45 Q C 2.172 178.015 176.000 -0.261 0.000 0.987 45 Q CA 2.218 57.854 55.803 -0.278 0.000 0.858 45 Q CB -0.335 28.254 28.738 -0.248 0.000 0.905 45 Q HN 0.537 nan 8.270 nan 0.000 0.420 46 T N -1.236 113.148 114.554 -0.285 0.000 3.043 46 T HA 0.071 4.425 4.350 0.006 0.000 0.263 46 T C 1.091 175.647 174.700 -0.240 0.000 1.094 46 T CA 0.830 62.784 62.100 -0.243 0.000 1.127 46 T CB -0.041 68.679 68.868 -0.247 0.000 0.905 46 T HN 0.633 nan 8.240 nan 0.000 0.490 47 G N 1.386 109.971 108.800 -0.358 0.000 2.187 47 G HA2 -0.247 3.717 3.960 0.006 0.000 0.261 47 G HA3 -0.247 3.717 3.960 0.006 0.000 0.261 47 G C -0.014 174.727 174.900 -0.265 0.000 1.000 47 G CA 0.246 45.107 45.100 -0.398 0.000 0.718 47 G HN 0.518 nan 8.290 nan 0.000 0.519 48 L N -0.081 121.054 121.223 -0.147 0.000 2.365 48 L HA 0.465 4.809 4.340 0.006 0.000 0.273 48 L C -2.155 174.795 176.870 0.134 0.000 1.000 48 L CA -2.581 52.228 54.840 -0.053 0.000 0.819 48 L CB 2.313 44.309 42.059 -0.105 0.000 1.284 48 L HN -0.187 nan 8.230 nan 0.000 0.418 49 P HA 0.108 nan 4.420 nan 0.000 0.267 49 P C -0.916 176.324 177.300 -0.101 0.000 1.201 49 P CA 0.164 63.105 63.100 -0.264 0.000 0.775 49 P CB 0.639 31.903 31.700 -0.726 0.000 0.854 50 T N 1.626 116.151 114.554 -0.049 0.000 2.894 50 T HA 0.697 5.051 4.350 0.006 0.000 0.309 50 T C -1.060 173.777 174.700 0.227 0.000 1.208 50 T CA -0.319 61.830 62.100 0.081 0.000 1.016 50 T CB 0.855 69.787 68.868 0.106 0.000 1.192 50 T HN 0.337 nan 8.240 nan 0.000 0.491 51 F N -0.457 119.647 119.950 0.257 0.000 2.631 51 F HA 0.819 5.350 4.527 0.006 0.000 0.308 51 F C -0.910 175.031 175.800 0.235 0.000 1.097 51 F CA -1.392 56.729 58.000 0.203 0.000 0.952 51 F CB 1.540 40.637 39.000 0.163 0.000 1.307 51 F HN 0.519 nan 8.300 nan 0.000 0.450 52 R N 2.801 123.522 120.500 0.369 0.000 2.474 52 R HA 0.635 4.979 4.340 0.006 0.000 0.295 52 R C -0.324 176.068 176.300 0.154 0.000 0.980 52 R CA -0.648 55.487 56.100 0.059 0.000 0.934 52 R CB 1.803 32.023 30.300 -0.134 0.000 1.101 52 R HN 1.072 nan 8.270 nan 0.000 0.469 53 R N 0.989 121.508 120.500 0.032 0.000 2.702 53 R HA 0.088 4.432 4.340 0.006 0.000 0.166 53 R C 1.016 177.320 176.300 0.006 0.000 1.402 53 R CA -0.100 56.049 56.100 0.082 0.000 1.077 53 R CB -0.013 30.362 30.300 0.125 0.000 1.947 53 R HN 0.609 nan 8.270 nan 0.000 0.494 54 E N 0.128 120.350 120.200 0.038 0.000 2.001 54 E HA -0.152 4.202 4.350 0.006 0.000 0.195 54 E C 0.582 177.160 176.600 -0.037 0.000 1.002 54 E CA 2.526 58.936 56.400 0.017 0.000 0.819 54 E CB -0.098 29.631 29.700 0.049 0.000 0.769 54 E HN 0.553 nan 8.360 nan 0.000 0.454 55 D N -0.898 119.489 120.400 -0.022 0.000 2.482 55 D HA 0.127 4.771 4.640 0.006 0.000 0.251 55 D C -0.304 175.928 176.300 -0.113 0.000 1.073 55 D CA -0.010 53.964 54.000 -0.043 0.000 0.892 55 D CB 0.207 41.043 40.800 0.061 0.000 1.202 55 D HN 0.165 nan 8.370 nan 0.000 0.496 56 E N 0.195 120.414 120.200 0.031 0.000 2.437 56 E HA 0.141 4.495 4.350 0.006 0.000 0.263 56 E C -0.700 175.918 176.600 0.030 0.000 1.030 56 E CA 0.492 56.992 56.400 0.167 0.000 0.934 56 E CB 0.527 30.478 29.700 0.417 0.000 0.943 56 E HN 0.031 nan 8.360 nan 0.000 0.444 57 F N 1.712 121.847 119.950 0.308 0.000 2.496 57 F HA 0.266 4.796 4.527 0.006 0.000 0.341 57 F C -0.932 175.012 175.800 0.239 0.000 1.134 57 F CA -0.711 57.434 58.000 0.242 0.000 0.968 57 F CB 0.839 39.905 39.000 0.110 0.000 1.205 57 F HN 0.346 nan 8.300 nan 0.000 0.436 58 W N 3.227 124.448 121.300 -0.132 0.000 2.390 58 W HA 0.579 5.242 4.660 0.006 0.000 0.312 58 W C -0.768 175.670 176.519 -0.135 0.000 1.123 58 W CA -1.214 56.058 57.345 -0.123 0.000 1.202 58 W CB 1.176 30.413 29.460 -0.372 0.000 1.251 58 W HN 0.298 nan 8.180 nan 0.000 0.511 59 C N 3.043 122.399 119.300 0.094 0.000 2.281 59 C HA 0.599 5.063 4.460 0.006 0.000 0.325 59 C C 1.037 175.700 174.990 -0.546 0.000 1.282 59 C CA -1.043 57.892 59.018 -0.139 0.000 1.640 59 C CB 0.141 27.840 27.740 -0.067 0.000 2.288 59 C HN 0.775 nan 8.230 nan 0.000 0.507 60 A N 3.279 125.643 122.820 -0.761 0.000 3.076 60 A HA 0.530 4.853 4.320 0.006 0.000 0.269 60 A C 0.894 178.244 177.584 -0.389 0.000 1.916 60 A CA 0.858 52.284 52.037 -1.018 0.000 1.492 60 A CB -1.060 17.695 19.000 -0.408 0.000 1.000 60 A HN 1.501 nan 8.150 nan 0.000 0.615 61 G N 0.677 109.305 108.800 -0.286 0.000 2.324 61 G HA2 0.407 4.371 3.960 0.006 0.000 0.293 61 G HA3 0.407 4.371 3.960 0.006 0.000 0.293 61 G C -1.279 173.623 174.900 0.003 0.000 1.297 61 G CA -0.739 44.325 45.100 -0.060 0.000 0.853 61 G HN 0.611 nan 8.290 nan 0.000 0.535 62 K N 0.133 120.552 120.400 0.031 0.000 2.234 62 K HA 0.719 5.043 4.320 0.006 0.000 0.277 62 K C -1.085 175.540 176.600 0.041 0.000 1.038 62 K CA -0.791 55.522 56.287 0.044 0.000 0.888 62 K CB 1.778 34.305 32.500 0.044 0.000 1.091 62 K HN 0.591 nan 8.250 nan 0.000 0.467 63 V N 2.275 122.233 119.914 0.072 0.000 2.588 63 V HA 0.229 4.352 4.120 0.006 0.000 0.304 63 V C -1.091 175.060 176.094 0.095 0.000 1.042 63 V CA -0.704 61.653 62.300 0.095 0.000 0.877 63 V CB 1.789 33.715 31.823 0.172 0.000 0.996 63 V HN 0.886 nan 8.190 nan 0.000 0.425 64 E N 4.624 124.861 120.200 0.062 0.000 2.145 64 E HA 0.650 5.004 4.350 0.006 0.000 0.262 64 E C -0.966 175.663 176.600 0.048 0.000 0.883 64 E CA -0.403 56.019 56.400 0.036 0.000 0.748 64 E CB 0.984 30.693 29.700 0.016 0.000 1.140 64 E HN 0.552 nan 8.360 nan 0.000 0.417 65 K N 3.866 124.296 120.400 0.050 0.000 2.335 65 K HA 0.023 4.347 4.320 0.006 0.000 0.365 65 K C -1.143 175.475 176.600 0.030 0.000 1.490 65 K CA -0.198 56.126 56.287 0.061 0.000 1.129 65 K CB 0.555 33.117 32.500 0.102 0.000 1.406 65 K HN 0.654 nan 8.250 nan 0.000 0.487 66 D N 1.857 122.246 120.400 -0.017 0.000 2.489 66 D HA -0.067 4.577 4.640 0.006 0.000 0.264 66 D C -0.317 175.950 176.300 -0.055 0.000 1.294 66 D CA 0.829 54.786 54.000 -0.071 0.000 0.938 66 D CB 0.300 41.068 40.800 -0.055 0.000 0.985 66 D HN 0.332 nan 8.370 nan 0.000 0.492 67 T N -1.008 113.543 114.554 -0.006 0.000 3.478 67 T HA 0.265 4.619 4.350 0.006 0.000 0.436 67 T C -1.923 172.708 174.700 -0.117 0.000 1.554 67 T CA -0.824 61.241 62.100 -0.059 0.000 1.084 67 T CB -0.239 68.551 68.868 -0.130 0.000 1.531 67 T HN 0.115 nan 8.240 nan 0.000 0.452 68 L N 4.428 125.533 121.223 -0.198 0.000 2.346 68 L HA 0.617 4.961 4.340 0.006 0.000 0.276 68 L C -1.047 175.505 176.870 -0.530 0.000 1.006 68 L CA -1.043 53.639 54.840 -0.263 0.000 0.817 68 L CB 1.945 43.868 42.059 -0.226 0.000 1.272 68 L HN 0.716 nan 8.230 nan 0.000 0.421 69 Y N 3.595 123.870 120.300 -0.042 0.000 2.944 69 Y HA 0.386 4.940 4.550 0.006 0.000 0.335 69 Y C 0.027 175.878 175.900 -0.082 0.000 1.075 69 Y CA -0.845 57.226 58.100 -0.049 0.000 1.240 69 Y CB 0.631 39.070 38.460 -0.035 0.000 1.167 69 Y HN 0.355 nan 8.280 nan 0.000 0.555 70 L N -0.108 121.085 121.223 -0.051 0.000 2.350 70 L HA 0.694 5.038 4.340 0.006 0.000 0.275 70 L C 0.026 176.872 176.870 -0.040 0.000 1.099 70 L CA -0.590 54.201 54.840 -0.083 0.000 0.808 70 L CB 0.860 42.820 42.059 -0.166 0.000 1.149 70 L HN 0.229 nan 8.230 nan 0.000 0.442 71 T N 4.074 118.599 114.554 -0.049 0.000 2.801 71 T HA 0.496 4.850 4.350 0.006 0.000 0.306 71 T C 0.632 175.309 174.700 -0.038 0.000 1.020 71 T CA -0.531 61.550 62.100 -0.031 0.000 0.948 71 T CB 0.575 69.425 68.868 -0.030 0.000 0.962 71 T HN 0.427 nan 8.240 nan 0.000 0.465 72 L N 1.457 122.670 121.223 -0.017 0.000 2.348 72 L HA 0.105 4.449 4.340 0.006 0.000 0.200 72 L C 2.013 178.893 176.870 0.016 0.000 1.154 72 L CA -0.278 54.565 54.840 0.005 0.000 0.856 72 L CB -0.164 41.909 42.059 0.023 0.000 1.297 72 L HN 0.569 nan 8.230 nan 0.000 0.550 73 S N -0.331 115.394 115.700 0.043 0.000 2.362 73 S HA -0.132 4.342 4.470 0.006 0.000 0.221 73 S C 1.599 176.216 174.600 0.029 0.000 1.032 73 S CA 0.840 59.068 58.200 0.046 0.000 0.973 73 S CB -0.360 62.882 63.200 0.070 0.000 0.849 73 S HN 0.663 nan 8.310 nan 0.000 0.465 74 N N 1.419 120.135 118.700 0.027 0.000 2.586 74 N HA -0.143 4.601 4.740 0.006 0.000 0.191 74 N C 1.213 176.730 175.510 0.011 0.000 1.085 74 N CA 1.180 54.241 53.050 0.018 0.000 0.921 74 N CB -0.353 38.145 38.487 0.018 0.000 0.954 74 N HN 0.561 nan 8.380 nan 0.000 0.448 75 G N 0.247 109.052 108.800 0.009 0.000 2.225 75 G HA2 -0.312 3.652 3.960 0.006 0.000 0.254 75 G HA3 -0.312 3.652 3.960 0.006 0.000 0.254 75 G C 0.021 174.920 174.900 -0.001 0.000 0.988 75 G CA 0.394 45.495 45.100 0.001 0.000 0.625 75 G HN 0.563 nan 8.290 nan 0.000 0.527 76 E N 1.245 121.447 120.200 0.002 0.000 2.529 76 E HA 0.285 4.638 4.350 0.006 0.000 0.259 76 E C 0.812 177.412 176.600 0.000 0.000 0.966 76 E CA 0.047 56.447 56.400 -0.001 0.000 0.937 76 E CB 0.108 29.810 29.700 0.003 0.000 0.923 76 E HN 0.288 nan 8.360 nan 0.000 0.468 77 I N 5.917 126.488 120.570 0.001 0.000 2.297 77 I HA 0.173 4.347 4.170 0.006 0.000 0.291 77 I C -0.089 176.044 176.117 0.026 0.000 1.033 77 I CA -0.617 60.697 61.300 0.022 0.000 1.253 77 I CB 0.602 38.624 38.000 0.036 0.000 1.396 77 I HN 0.274 nan 8.210 nan 0.000 0.476 78 V N 7.100 127.027 119.914 0.021 0.000 2.483 78 V HA 0.414 4.538 4.120 0.006 0.000 0.295 78 V C -0.099 175.997 176.094 0.003 0.000 1.035 78 V CA -0.402 61.904 62.300 0.009 0.000 0.896 78 V CB 2.031 33.850 31.823 -0.007 0.000 0.986 78 V HN 0.879 nan 8.190 nan 0.000 0.447 79 E N 6.327 126.534 120.200 0.011 0.000 2.113 79 E HA 0.430 4.784 4.350 0.006 0.000 0.273 79 E C -1.425 175.132 176.600 -0.071 0.000 0.924 79 E CA -0.625 55.723 56.400 -0.087 0.000 0.764 79 E CB 1.306 31.015 29.700 0.016 0.000 1.104 79 E HN 0.781 nan 8.360 nan 0.000 0.406 80 L N 4.791 125.939 121.223 -0.125 0.000 2.282 80 L HA 0.399 4.743 4.340 0.006 0.000 0.288 80 L C 0.180 177.109 176.870 0.099 0.000 1.033 80 L CA -0.645 54.218 54.840 0.038 0.000 0.807 80 L CB 1.336 43.414 42.059 0.032 0.000 1.209 80 L HN 0.400 nan 8.230 nan 0.000 0.423 81 K N 4.677 125.133 120.400 0.093 0.000 2.268 81 K HA 0.174 4.498 4.320 0.006 0.000 0.276 81 K C 0.060 176.574 176.600 -0.142 0.000 1.080 81 K CA -0.735 55.547 56.287 -0.007 0.000 0.910 81 K CB 0.621 33.114 32.500 -0.012 0.000 1.163 81 K HN 0.437 nan 8.250 nan 0.000 0.465 82 R N 4.755 124.998 120.500 -0.429 0.000 2.446 82 R HA 0.022 4.366 4.340 0.006 0.000 0.325 82 R C -0.797 175.166 176.300 -0.563 0.000 0.997 82 R CA 0.161 55.590 56.100 -1.119 0.000 1.010 82 R CB -0.261 29.266 30.300 -1.289 0.000 0.946 82 R HN 0.364 nan 8.270 nan 0.000 0.422 83 V N 3.720 123.360 119.914 -0.456 0.000 3.262 83 V HA 0.349 4.473 4.120 0.006 0.000 0.313 83 V C 1.658 177.583 176.094 -0.280 0.000 1.070 83 V CA -0.213 61.928 62.300 -0.264 0.000 1.049 83 V CB 1.126 32.844 31.823 -0.174 0.000 1.157 83 V HN 0.921 nan 8.190 nan 0.000 0.454 84 G N 0.375 109.061 108.800 -0.189 0.000 2.714 84 G HA2 0.106 4.069 3.960 0.006 0.000 0.278 84 G HA3 0.106 4.069 3.960 0.006 0.000 0.278 84 G C -0.161 174.627 174.900 -0.186 0.000 1.288 84 G CA -0.214 44.789 45.100 -0.161 0.000 1.027 84 G HN 0.765 nan 8.290 nan 0.000 0.607 85 E N -0.532 119.590 120.200 -0.130 0.000 2.283 85 E HA 0.423 4.777 4.350 0.006 0.000 0.267 85 E C -0.388 176.144 176.600 -0.113 0.000 1.045 85 E CA -0.433 55.900 56.400 -0.111 0.000 0.884 85 E CB 1.251 30.931 29.700 -0.033 0.000 1.106 85 E HN 0.332 nan 8.360 nan 0.000 0.408 86 E N 1.019 121.149 120.200 -0.117 0.000 2.369 86 E HA 0.229 4.583 4.350 0.006 0.000 0.270 86 E C -1.103 175.568 176.600 0.117 0.000 0.909 86 E CA -0.595 55.766 56.400 -0.065 0.000 0.775 86 E CB 1.834 31.331 29.700 -0.338 0.000 1.270 86 E HN 0.397 nan 8.360 nan 0.000 0.445 87 E N 1.315 121.604 120.200 0.148 0.000 2.046 87 E HA 0.161 4.515 4.350 0.006 0.000 0.279 87 E C -0.626 176.088 176.600 0.190 0.000 0.989 87 E CA -0.460 56.028 56.400 0.147 0.000 0.798 87 E CB 0.515 30.260 29.700 0.076 0.000 1.086 87 E HN 0.208 nan 8.360 nan 0.000 0.399 88 F N 3.516 123.450 119.950 -0.027 0.000 2.571 88 F HA 0.033 4.563 4.527 0.006 0.000 0.384 88 F C 0.071 175.748 175.800 -0.205 0.000 1.058 88 F CA -0.034 57.845 58.000 -0.202 0.000 1.200 88 F CB 0.231 38.831 39.000 -0.666 0.000 1.077 88 F HN 0.290 nan 8.300 nan 0.000 0.558 89 R N 5.124 125.136 120.500 -0.814 0.000 2.587 89 R HA 0.427 4.771 4.340 0.006 0.000 0.283 89 R C 0.155 175.884 176.300 -0.952 0.000 1.472 89 R CA -0.232 55.428 56.100 -0.733 0.000 1.578 89 R CB 0.771 30.875 30.300 -0.328 0.000 1.130 89 R HN 1.028 nan 8.270 nan 0.000 0.602 90 G N 1.504 109.420 108.800 -1.474 0.000 2.999 90 G HA2 -0.306 3.658 3.960 0.006 0.000 0.686 90 G HA3 -0.306 3.658 3.960 0.006 0.000 0.686 90 G C -0.263 174.190 174.900 -0.746 0.000 1.551 90 G CA -0.747 43.757 45.100 -0.994 0.000 1.126 90 G HN 0.292 nan 8.290 nan 0.000 0.603 91 F N 0.455 120.290 119.950 -0.192 0.000 2.440 91 F HA 0.353 4.883 4.527 0.006 0.000 0.323 91 F C 2.029 177.786 175.800 -0.073 0.000 1.192 91 F CA 0.157 58.034 58.000 -0.205 0.000 1.252 91 F CB 0.518 39.263 39.000 -0.425 0.000 1.214 91 F HN 0.595 nan 8.300 nan 0.000 0.578 92 Q N 0.124 120.008 119.800 0.139 0.000 2.274 92 Q HA 0.079 4.423 4.340 0.006 0.000 0.198 92 Q C 0.117 176.255 176.000 0.229 0.000 0.955 92 Q CA 0.540 56.426 55.803 0.138 0.000 0.859 92 Q CB 0.089 28.862 28.738 0.058 0.000 0.956 92 Q HN 0.796 nan 8.270 nan 0.000 0.516 93 N N -0.631 118.162 118.700 0.155 0.000 2.741 93 N HA 0.150 4.894 4.740 0.006 0.000 0.310 93 N C -0.047 175.575 175.510 0.187 0.000 1.295 93 N CA -0.416 52.745 53.050 0.184 0.000 0.893 93 N CB 0.981 39.515 38.487 0.079 0.000 1.247 93 N HN -0.212 nan 8.380 nan 0.000 0.596 94 E N -0.069 120.259 120.200 0.214 0.000 2.152 94 E HA -0.095 4.259 4.350 0.006 0.000 0.192 94 E C 1.953 178.488 176.600 -0.108 0.000 0.983 94 E CA 0.741 57.220 56.400 0.131 0.000 0.818 94 E CB -0.119 29.669 29.700 0.145 0.000 0.758 94 E HN 0.514 nan 8.360 nan 0.000 0.467 95 R N 1.253 121.710 120.500 -0.072 0.000 2.091 95 R HA -0.212 4.132 4.340 0.006 0.000 0.238 95 R C 1.765 177.959 176.300 -0.178 0.000 1.136 95 R CA 1.729 57.775 56.100 -0.090 0.000 0.959 95 R CB -0.021 30.261 30.300 -0.030 0.000 0.856 95 R HN 0.232 nan 8.270 nan 0.000 0.437 96 E N 0.024 120.063 120.200 -0.268 0.000 2.005 96 E HA -0.286 4.068 4.350 0.006 0.000 0.198 96 E C 2.183 178.258 176.600 -0.876 0.000 1.010 96 E CA 1.488 57.600 56.400 -0.480 0.000 0.825 96 E CB -0.534 28.809 29.700 -0.595 0.000 0.769 96 E HN 0.428 nan 8.360 nan 0.000 0.456 97 C N 1.298 119.690 119.300 -1.513 0.000 2.353 97 C HA -0.288 4.175 4.460 0.006 0.000 0.272 97 C C 2.923 177.527 174.990 -0.643 0.000 1.165 97 C CA 2.144 60.033 59.018 -1.883 0.000 1.786 97 C CB -0.958 25.917 27.740 -1.441 0.000 2.071 97 C HN 0.513 nan 8.230 nan 0.000 0.451 98 Q N 0.061 119.623 119.800 -0.396 0.000 2.050 98 Q HA -0.196 4.147 4.340 0.006 0.000 0.202 98 Q C 2.175 178.135 176.000 -0.068 0.000 0.980 98 Q CA 2.157 57.867 55.803 -0.154 0.000 0.840 98 Q CB -0.260 28.407 28.738 -0.117 0.000 0.898 98 Q HN 0.775 nan 8.270 nan 0.000 0.424 99 E N 0.284 120.430 120.200 -0.090 0.000 2.023 99 E HA -0.233 4.120 4.350 0.006 0.000 0.196 99 E C 2.122 178.727 176.600 0.008 0.000 1.003 99 E CA 1.372 57.763 56.400 -0.014 0.000 0.809 99 E CB -0.278 29.463 29.700 0.068 0.000 0.755 99 E HN 0.322 nan 8.360 nan 0.000 0.449 100 L N 0.511 121.783 121.223 0.081 0.000 2.042 100 L HA -0.177 4.167 4.340 0.006 0.000 0.210 100 L C 2.235 179.286 176.870 0.302 0.000 1.076 100 L CA 1.474 56.459 54.840 0.241 0.000 0.749 100 L CB -0.365 41.959 42.059 0.443 0.000 0.893 100 L HN 0.087 nan 8.230 nan 0.000 0.432 101 F N 0.006 119.980 119.950 0.041 0.000 2.146 101 F HA -0.184 4.347 4.527 0.006 0.000 0.298 101 F C 2.690 178.335 175.800 -0.258 0.000 1.096 101 F CA 1.663 59.483 58.000 -0.300 0.000 1.275 101 F CB -0.235 38.434 39.000 -0.552 0.000 1.008 101 F HN -0.019 nan 8.300 nan 0.000 0.480 102 R N 0.223 120.668 120.500 -0.091 0.000 2.148 102 R HA -0.140 4.204 4.340 0.006 0.000 0.227 102 R C 1.782 177.899 176.300 -0.306 0.000 1.103 102 R CA 1.501 57.491 56.100 -0.183 0.000 0.983 102 R CB -0.426 29.829 30.300 -0.075 0.000 0.874 102 R HN 0.313 nan 8.270 nan 0.000 0.451 103 D N -0.040 120.146 120.400 -0.357 0.000 2.077 103 D HA -0.164 4.480 4.640 0.006 0.000 0.196 103 D C 1.692 177.720 176.300 -0.453 0.000 0.986 103 D CA 1.275 54.899 54.000 -0.627 0.000 0.829 103 D CB -0.391 39.878 40.800 -0.885 0.000 0.983 103 D HN 0.095 nan 8.370 nan 0.000 0.453 104 F N 1.383 121.078 119.950 -0.424 0.000 2.063 104 F HA -0.215 4.316 4.527 0.007 0.000 0.298 104 F C 2.553 178.065 175.800 -0.480 0.000 1.105 104 F CA 0.947 58.681 58.000 -0.444 0.000 1.215 104 F CB -0.733 37.931 39.000 -0.560 0.000 0.972 104 F HN -0.040 nan 8.300 nan 0.000 0.483 105 L N -0.899 120.045 121.223 -0.466 0.000 2.270 105 L HA -0.286 4.058 4.340 0.006 0.000 0.217 105 L C 2.098 178.816 176.870 -0.253 0.000 1.107 105 L CA 1.640 56.188 54.840 -0.487 0.000 0.772 105 L CB -1.095 40.618 42.059 -0.576 0.000 0.902 105 L HN 0.286 nan 8.230 nan 0.000 0.439 106 T N -1.481 112.968 114.554 -0.175 0.000 2.904 106 T HA -0.112 4.241 4.350 0.006 0.000 0.243 106 T C 1.881 176.592 174.700 0.019 0.000 1.024 106 T CA 0.428 62.509 62.100 -0.031 0.000 1.158 106 T CB 0.022 68.933 68.868 0.072 0.000 0.867 106 T HN 0.150 nan 8.240 nan 0.000 0.429 107 K N 0.588 121.018 120.400 0.052 0.000 2.286 107 K HA -0.120 4.204 4.320 0.006 0.000 0.203 107 K C 1.902 178.481 176.600 -0.034 0.000 1.045 107 K CA 1.217 57.514 56.287 0.018 0.000 0.935 107 K CB -0.072 32.402 32.500 -0.043 0.000 0.737 107 K HN 0.208 nan 8.250 nan 0.000 0.460 108 T N -0.182 114.336 114.554 -0.060 0.000 3.031 108 T HA 0.025 4.379 4.350 0.006 0.000 0.254 108 T C 0.229 174.918 174.700 -0.020 0.000 1.060 108 T CA 0.731 62.810 62.100 -0.036 0.000 1.135 108 T CB 0.130 68.954 68.868 -0.074 0.000 0.896 108 T HN 0.209 nan 8.240 nan 0.000 0.472 109 K N -0.486 119.892 120.400 -0.036 0.000 3.529 109 K HA -0.162 4.162 4.320 0.006 0.000 0.313 109 K C 1.118 177.721 176.600 0.004 0.000 1.316 109 K CA 0.751 57.034 56.287 -0.007 0.000 0.988 109 K CB -2.313 30.198 32.500 0.019 0.000 1.252 109 K HN 0.229 nan 8.250 nan 0.000 0.438 110 V N 0.880 120.774 119.914 -0.033 0.000 2.313 110 V HA -0.414 3.710 4.120 0.006 0.000 0.253 110 V C 2.153 178.294 176.094 0.079 0.000 1.070 110 V CA 2.592 64.891 62.300 -0.001 0.000 1.057 110 V CB -0.170 31.590 31.823 -0.105 0.000 0.653 110 V HN 0.466 nan 8.190 nan 0.000 0.450 111 K N -0.896 119.512 120.400 0.013 0.000 2.026 111 K HA -0.198 4.126 4.320 0.006 0.000 0.208 111 K C 2.015 178.748 176.600 0.221 0.000 1.048 111 K CA 1.858 58.234 56.287 0.149 0.000 0.929 111 K CB -0.328 32.205 32.500 0.054 0.000 0.713 111 K HN 0.470 nan 8.250 nan 0.000 0.439 112 D N 0.506 120.986 120.400 0.134 0.000 2.183 112 D HA -0.119 4.525 4.640 0.006 0.000 0.203 112 D C 1.750 178.142 176.300 0.153 0.000 0.969 112 D CA 0.984 55.062 54.000 0.131 0.000 0.842 112 D CB 0.110 40.955 40.800 0.075 0.000 0.957 112 D HN -0.052 nan 8.370 nan 0.000 0.484 113 K N -0.149 120.342 120.400 0.152 0.000 2.103 113 K HA -0.140 4.184 4.320 0.006 0.000 0.207 113 K C 1.921 178.652 176.600 0.218 0.000 1.048 113 K CA 0.816 57.194 56.287 0.152 0.000 0.930 113 K CB -0.668 31.914 32.500 0.135 0.000 0.716 113 K HN 0.086 nan 8.250 nan 0.000 0.444 114 F N 0.538 120.573 119.950 0.142 0.000 2.051 114 F HA -0.116 4.414 4.527 0.005 0.000 0.296 114 F C 1.671 177.631 175.800 0.268 0.000 1.122 114 F CA 1.418 59.536 58.000 0.197 0.000 1.201 114 F CB -0.506 38.597 39.000 0.172 0.000 0.978 114 F HN -0.035 nan 8.300 nan 0.000 0.472 115 I N 0.199 120.918 120.570 0.249 0.000 2.399 115 I HA -0.293 3.881 4.170 0.006 0.000 0.254 115 I C 2.756 179.044 176.117 0.287 0.000 1.146 115 I CA 1.600 63.033 61.300 0.223 0.000 1.412 115 I CB -1.341 36.810 38.000 0.252 0.000 1.076 115 I HN 0.295 nan 8.210 nan 0.000 0.432 116 S N 0.257 116.063 115.700 0.176 0.000 2.349 116 S HA -0.202 4.272 4.470 0.006 0.000 0.216 116 S C 1.881 176.566 174.600 0.141 0.000 1.033 116 S CA 1.722 60.002 58.200 0.133 0.000 1.021 116 S CB -0.313 62.938 63.200 0.086 0.000 0.968 116 S HN 0.419 nan 8.310 nan 0.000 0.426 117 D N 0.313 120.761 120.400 0.080 0.000 2.182 117 D HA -0.087 4.556 4.640 0.006 0.000 0.201 117 D C 1.601 177.893 176.300 -0.012 0.000 0.986 117 D CA 0.841 54.855 54.000 0.024 0.000 0.847 117 D CB -0.471 40.349 40.800 0.032 0.000 0.942 117 D HN 0.515 nan 8.370 nan 0.000 0.467 118 F N 0.470 120.316 119.950 -0.172 0.000 2.102 118 F HA -0.272 4.259 4.527 0.006 0.000 0.298 118 F C 2.133 177.998 175.800 0.108 0.000 1.105 118 F CA 1.329 59.285 58.000 -0.074 0.000 1.239 118 F CB -0.438 38.375 39.000 -0.312 0.000 0.991 118 F HN -0.101 nan 8.300 nan 0.000 0.474 119 Y N 1.441 121.826 120.300 0.141 0.000 2.070 119 Y HA -0.294 4.259 4.550 0.006 0.000 0.280 119 Y C 2.552 178.407 175.900 -0.075 0.000 1.148 119 Y CA 2.517 60.660 58.100 0.072 0.000 1.125 119 Y CB -0.627 37.907 38.460 0.124 0.000 0.975 119 Y HN 0.107 nan 8.280 nan 0.000 0.492 120 K N 0.005 120.459 120.400 0.090 0.000 1.965 120 K HA -0.151 4.173 4.320 0.006 0.000 0.214 120 K C 1.521 178.021 176.600 -0.168 0.000 1.046 120 K CA 1.519 57.792 56.287 -0.023 0.000 0.944 120 K CB -0.513 31.972 32.500 -0.025 0.000 0.726 120 K HN -0.022 nan 8.250 nan 0.000 0.441 121 K N 0.051 120.271 120.400 -0.301 0.000 2.640 121 K HA -0.084 4.240 4.320 0.006 0.000 0.193 121 K C 0.373 176.387 176.600 -0.976 0.000 1.036 121 K CA 0.899 56.833 56.287 -0.589 0.000 0.962 121 K CB -0.122 31.964 32.500 -0.690 0.000 0.791 121 K HN 0.314 nan 8.250 nan 0.000 0.491 122 F N -0.801 118.930 119.950 -0.366 0.000 3.020 122 F HA 0.072 4.602 4.527 0.006 0.000 0.392 122 F C 1.300 176.885 175.800 -0.359 0.000 1.018 122 F CA -0.622 57.097 58.000 -0.468 0.000 1.045 122 F CB 0.018 38.457 39.000 -0.935 0.000 1.261 122 F HN -0.054 nan 8.300 nan 0.000 0.549 123 R N 0.271 120.711 120.500 -0.100 0.000 2.395 123 R HA -0.063 4.281 4.340 0.006 0.000 0.203 123 R C 0.288 176.568 176.300 -0.033 0.000 1.076 123 R CA 1.355 57.432 56.100 -0.039 0.000 1.059 123 R CB -1.028 29.306 30.300 0.057 0.000 0.860 123 R HN 0.094 nan 8.270 nan 0.000 0.476 124 D N 0.831 121.204 120.400 -0.044 0.000 2.271 124 D HA -0.158 4.486 4.640 0.006 0.000 0.207 124 D C 0.483 176.763 176.300 -0.034 0.000 0.983 124 D CA 1.374 55.352 54.000 -0.036 0.000 0.878 124 D CB 0.113 40.892 40.800 -0.034 0.000 0.920 124 D HN 0.175 nan 8.370 nan 0.000 0.479 125 K N -0.455 119.917 120.400 -0.046 0.000 3.537 125 K HA 0.068 4.392 4.320 0.006 0.000 0.147 125 K C 0.004 176.556 176.600 -0.080 0.000 0.968 125 K CA 0.002 56.255 56.287 -0.056 0.000 0.879 125 K CB -0.343 32.126 32.500 -0.052 0.000 0.691 125 K HN 0.008 nan 8.250 nan 0.000 0.416 126 I N -0.892 119.629 120.570 -0.082 0.000 3.684 126 I HA 0.189 4.363 4.170 0.006 0.000 0.304 126 I C -0.081 175.976 176.117 -0.099 0.000 1.278 126 I CA 0.376 61.622 61.300 -0.089 0.000 1.272 126 I CB -1.181 36.772 38.000 -0.080 0.000 1.029 126 I HN 0.169 nan 8.210 nan 0.000 0.458 127 T N -0.222 114.266 114.554 -0.111 0.000 2.861 127 T HA 0.778 5.131 4.350 0.006 0.000 0.287 127 T C -0.400 174.215 174.700 -0.142 0.000 1.003 127 T CA -0.584 61.407 62.100 -0.181 0.000 0.977 127 T CB 2.450 71.204 68.868 -0.191 0.000 0.996 127 T HN -0.011 nan 8.240 nan 0.000 0.448 128 V N 2.718 122.533 119.914 -0.165 0.000 3.001 128 V HA 0.472 4.596 4.120 0.006 0.000 0.314 128 V C 1.174 177.251 176.094 -0.027 0.000 1.099 128 V CA -0.904 61.347 62.300 -0.082 0.000 0.989 128 V CB 1.829 33.609 31.823 -0.072 0.000 1.040 128 V HN 1.080 nan 8.190 nan 0.000 0.434 129 Q N 2.027 121.841 119.800 0.023 0.000 1.994 129 Q HA 0.334 4.678 4.340 0.006 0.000 0.197 129 Q C 0.974 177.021 176.000 0.079 0.000 0.981 129 Q CA 1.176 57.029 55.803 0.083 0.000 0.838 129 Q CB -0.063 28.714 28.738 0.064 0.000 0.904 129 Q HN 1.357 nan 8.270 nan 0.000 0.460 130 G N 1.527 110.352 108.800 0.042 0.000 2.916 130 G HA2 -0.231 3.732 3.960 0.006 0.000 0.533 130 G HA3 -0.231 3.732 3.960 0.006 0.000 0.533 130 G C -0.740 174.187 174.900 0.045 0.000 1.516 130 G CA 0.037 45.156 45.100 0.031 0.000 0.944 130 G HN 0.329 nan 8.290 nan 0.000 0.555 131 K N 1.579 121.998 120.400 0.033 0.000 2.356 131 K HA 0.396 4.720 4.320 0.006 0.000 0.243 131 K C 0.580 177.206 176.600 0.044 0.000 1.072 131 K CA -0.364 55.947 56.287 0.040 0.000 1.014 131 K CB -0.350 32.169 32.500 0.030 0.000 1.523 131 K HN 0.618 nan 8.250 nan 0.000 0.455 132 N N 2.380 121.119 118.700 0.065 0.000 2.146 132 N HA -0.028 4.716 4.740 0.006 0.000 0.302 132 N C -0.978 174.607 175.510 0.124 0.000 1.273 132 N CA 0.118 53.217 53.050 0.082 0.000 1.214 132 N CB 0.353 38.866 38.487 0.044 0.000 1.768 132 N HN 0.609 nan 8.380 nan 0.000 0.835 136 A N 5.409 128.090 122.820 -0.232 0.000 3.200 136 A HA 1.012 5.335 4.320 0.006 0.000 0.208 136 A C -0.984 176.561 177.584 -0.066 0.000 1.360 136 A CA -0.386 51.550 52.037 -0.167 0.000 0.892 136 A CB 1.417 20.377 19.000 -0.067 0.000 1.600 136 A HN 0.617 nan 8.150 nan 0.000 0.501 137 L N 0.297 121.524 121.223 0.006 0.000 2.338 137 L HA 0.291 4.634 4.340 0.006 0.000 0.264 137 L C -1.530 175.416 176.870 0.125 0.000 1.502 137 L CA -0.070 54.810 54.840 0.066 0.000 0.751 137 L CB 0.743 42.824 42.059 0.037 0.000 0.926 137 L HN 0.502 nan 8.230 nan 0.000 0.528 138 I N 3.487 124.120 120.570 0.105 0.000 2.517 138 I HA 0.230 4.404 4.170 0.006 0.000 0.285 138 I C -1.868 174.217 176.117 -0.054 0.000 1.106 138 I CA -1.746 59.601 61.300 0.078 0.000 1.402 138 I CB 0.337 38.381 38.000 0.072 0.000 1.399 138 I HN 0.352 nan 8.210 nan 0.000 0.535 139 P HA 0.253 nan 4.420 nan 0.000 0.258 139 P C -0.557 176.473 177.300 -0.449 0.000 1.647 139 P CA -0.449 62.217 63.100 -0.722 0.000 1.099 139 P CB 0.223 31.343 31.700 -0.968 0.000 1.604 140 E N 1.587 121.563 120.200 -0.373 0.000 2.354 140 E HA 0.364 4.718 4.350 0.006 0.000 0.269 140 E C -0.241 176.225 176.600 -0.223 0.000 1.036 140 E CA -0.679 55.598 56.400 -0.204 0.000 0.876 140 E CB 1.081 30.700 29.700 -0.135 0.000 1.009 140 E HN 0.199 nan 8.360 nan 0.000 0.416 141 V N 3.103 122.945 119.914 -0.120 0.000 2.733 141 V HA 0.294 4.418 4.120 0.006 0.000 0.306 141 V C -0.987 175.090 176.094 -0.027 0.000 1.084 141 V CA -0.993 61.249 62.300 -0.096 0.000 0.905 141 V CB 1.911 33.690 31.823 -0.074 0.000 1.010 141 V HN 0.705 nan 8.190 nan 0.000 0.424 142 N N 2.645 121.337 118.700 -0.015 0.000 2.229 142 N HA 0.768 5.512 4.740 0.006 0.000 0.298 142 N C -1.616 173.932 175.510 0.064 0.000 1.114 142 N CA -0.977 52.093 53.050 0.034 0.000 0.776 142 N CB 2.206 40.718 38.487 0.041 0.000 1.501 142 N HN 0.587 nan 8.380 nan 0.000 0.474 143 E N 0.600 120.858 120.200 0.097 0.000 2.176 143 E HA 0.486 4.839 4.350 0.006 0.000 0.267 143 E C -1.002 175.649 176.600 0.086 0.000 0.893 143 E CA -0.573 55.893 56.400 0.110 0.000 0.761 143 E CB 1.888 31.709 29.700 0.203 0.000 1.133 143 E HN 0.282 nan 8.360 nan 0.000 0.409 144 K N 1.123 121.586 120.400 0.106 0.000 2.395 144 K HA 0.726 5.049 4.320 0.006 0.000 0.247 144 K C -1.254 175.346 176.600 -0.000 0.000 0.973 144 K CA -1.053 55.264 56.287 0.050 0.000 0.828 144 K CB 2.153 34.671 32.500 0.030 0.000 1.272 144 K HN 0.231 nan 8.250 nan 0.000 0.439 145 V N 4.199 124.091 119.914 -0.037 0.000 2.531 145 V HA 0.474 4.598 4.120 0.006 0.000 0.301 145 V C -0.691 175.418 176.094 0.025 0.000 1.034 145 V CA -0.807 61.474 62.300 -0.032 0.000 0.865 145 V CB 1.379 33.143 31.823 -0.099 0.000 0.995 145 V HN 0.571 nan 8.190 nan 0.000 0.424 146 L N 3.398 124.656 121.223 0.058 0.000 2.309 146 L HA 0.724 5.068 4.340 0.006 0.000 0.261 146 L C 0.105 177.012 176.870 0.061 0.000 1.021 146 L CA -0.976 53.889 54.840 0.041 0.000 0.823 146 L CB 2.066 44.116 42.059 -0.015 0.000 1.366 146 L HN 0.424 nan 8.230 nan 0.000 0.423 147 K N 0.403 120.794 120.400 -0.015 0.000 2.762 147 K HA 0.698 5.022 4.320 0.006 0.000 0.292 147 K C -0.385 176.107 176.600 -0.179 0.000 1.008 147 K CA -0.211 55.972 56.287 -0.173 0.000 1.142 147 K CB 1.705 34.088 32.500 -0.195 0.000 1.490 147 K HN 0.853 nan 8.250 nan 0.000 0.581 148 S N -1.836 113.707 115.700 -0.263 0.000 2.578 148 S HA 0.083 4.557 4.470 0.006 0.000 0.272 148 S C 0.677 175.135 174.600 -0.236 0.000 1.145 148 S CA -0.703 57.366 58.200 -0.219 0.000 0.835 148 S CB 1.471 64.441 63.200 -0.383 0.000 1.104 148 S HN 0.687 nan 8.310 nan 0.000 0.458 149 E N 0.826 120.913 120.200 -0.188 0.000 2.114 149 E HA -0.269 4.084 4.350 0.006 0.000 0.199 149 E C 1.335 177.846 176.600 -0.149 0.000 1.008 149 E CA 1.917 58.228 56.400 -0.149 0.000 0.810 149 E CB -0.151 29.469 29.700 -0.133 0.000 0.739 149 E HN 0.634 nan 8.360 nan 0.000 0.456 150 E N -0.964 119.126 120.200 -0.183 0.000 2.019 150 E HA -0.206 4.147 4.350 0.006 0.000 0.208 150 E C 1.671 178.215 176.600 -0.093 0.000 1.030 150 E CA 1.918 58.263 56.400 -0.093 0.000 0.856 150 E CB -0.299 29.387 29.700 -0.024 0.000 0.781 150 E HN 0.542 nan 8.360 nan 0.000 0.471 151 G N -0.948 107.724 108.800 -0.213 0.000 3.743 151 G HA2 -0.104 3.860 3.960 0.006 0.000 0.220 151 G HA3 -0.104 3.860 3.960 0.006 0.000 0.220 151 G C -0.041 174.704 174.900 -0.259 0.000 0.914 151 G CA 0.041 45.034 45.100 -0.179 0.000 0.851 151 G HN 0.239 nan 8.290 nan 0.000 0.573 152 Y N 0.361 120.555 120.300 -0.177 0.000 2.374 152 Y HA 0.812 5.367 4.550 0.007 0.000 0.322 152 Y C 0.060 175.802 175.900 -0.263 0.000 1.275 152 Y CA -2.161 55.830 58.100 -0.182 0.000 1.307 152 Y CB 0.503 38.979 38.460 0.025 0.000 1.282 152 Y HN -0.078 nan 8.280 nan 0.000 0.509 153 F N 1.209 121.323 119.950 0.275 0.000 2.382 153 F HA 0.540 5.071 4.527 0.006 0.000 0.331 153 F C -0.255 175.667 175.800 0.204 0.000 1.121 153 F CA -0.583 57.520 58.000 0.171 0.000 1.183 153 F CB 0.781 39.901 39.000 0.200 0.000 1.207 153 F HN 0.292 nan 8.300 nan 0.000 0.555 154 L N 3.565 124.941 121.223 0.256 0.000 2.409 154 L HA 0.390 4.733 4.340 0.006 0.000 0.272 154 L C -1.221 175.702 176.870 0.089 0.000 0.980 154 L CA -1.030 53.908 54.840 0.163 0.000 0.826 154 L CB 1.891 43.984 42.059 0.056 0.000 1.268 154 L HN 0.375 nan 8.230 nan 0.000 0.407 155 L N 3.740 124.996 121.223 0.056 0.000 2.278 155 L HA 0.302 4.646 4.340 0.006 0.000 0.287 155 L C -0.069 176.827 176.870 0.044 0.000 1.072 155 L CA 0.251 55.060 54.840 -0.051 0.000 0.819 155 L CB 0.309 42.251 42.059 -0.196 0.000 1.176 155 L HN 0.502 nan 8.230 nan 0.000 0.435 156 H N 6.644 125.680 119.070 -0.057 0.000 2.820 156 H HA 0.275 4.835 4.556 0.007 0.000 0.278 156 H C -1.472 173.848 175.328 -0.013 0.000 1.142 156 H CA -0.674 55.351 56.048 -0.038 0.000 1.346 156 H CB 1.064 30.786 29.762 -0.066 0.000 1.438 156 H HN 0.599 nan 8.280 nan 0.000 0.473 157 L N 6.323 127.347 121.223 -0.332 0.000 2.296 157 L HA 0.388 4.732 4.340 0.006 0.000 0.286 157 L C -0.989 175.668 176.870 -0.356 0.000 1.023 157 L CA -0.260 54.420 54.840 -0.267 0.000 0.812 157 L CB 1.387 43.329 42.059 -0.195 0.000 1.223 157 L HN 0.669 nan 8.230 nan 0.000 0.421 158 D N 4.375 124.616 120.400 -0.265 0.000 2.947 158 D HA 0.436 5.080 4.640 0.006 0.000 0.224 158 D C -1.597 174.643 176.300 -0.102 0.000 1.230 158 D CA -0.302 53.602 54.000 -0.160 0.000 0.871 158 D CB 2.033 42.771 40.800 -0.104 0.000 1.671 158 D HN 0.668 nan 8.370 nan 0.000 0.507 159 L N 0.462 121.636 121.223 -0.082 0.000 2.365 159 L HA 0.868 5.212 4.340 0.006 0.000 0.273 159 L C -1.167 175.639 176.870 -0.106 0.000 1.000 159 L CA -0.754 54.000 54.840 -0.142 0.000 0.819 159 L CB 2.064 44.016 42.059 -0.179 0.000 1.284 159 L HN 0.096 nan 8.230 nan 0.000 0.418 160 K N 2.704 122.983 120.400 -0.201 0.000 2.477 160 K HA 0.699 5.023 4.320 0.006 0.000 0.255 160 K C -1.933 174.515 176.600 -0.253 0.000 0.952 160 K CA -0.408 55.831 56.287 -0.081 0.000 0.826 160 K CB 1.771 34.255 32.500 -0.025 0.000 1.331 160 K HN 0.541 nan 8.250 nan 0.000 0.437 161 F N 1.420 121.330 119.950 -0.066 0.000 2.469 161 F HA 0.567 5.097 4.527 0.006 0.000 0.332 161 F C 0.384 176.150 175.800 -0.057 0.000 1.103 161 F CA -0.626 57.328 58.000 -0.077 0.000 0.979 161 F CB 1.844 40.792 39.000 -0.086 0.000 1.137 161 F HN 0.342 nan 8.300 nan 0.000 0.463 162 R N 2.786 123.343 120.500 0.095 0.000 2.460 162 R HA 0.759 5.102 4.340 0.006 0.000 0.303 162 R C -1.764 174.570 176.300 0.057 0.000 0.968 162 R CA -0.674 55.453 56.100 0.045 0.000 0.889 162 R CB 0.990 31.291 30.300 0.003 0.000 1.123 162 R HN 0.625 nan 8.270 nan 0.000 0.455 163 I N 4.437 125.024 120.570 0.028 0.000 2.418 163 I HA 0.249 4.422 4.170 0.006 0.000 0.287 163 I C -0.741 175.379 176.117 0.005 0.000 1.008 163 I CA -0.116 61.190 61.300 0.011 0.000 1.104 163 I CB 1.813 39.804 38.000 -0.015 0.000 1.264 163 I HN 0.616 nan 8.210 nan 0.000 0.438 164 Q N 7.089 126.899 119.800 0.018 0.000 2.416 164 Q HA 0.643 4.987 4.340 0.006 0.000 0.281 164 Q C -2.954 173.094 176.000 0.080 0.000 1.067 164 Q CA -2.140 53.693 55.803 0.050 0.000 0.809 164 Q CB 2.659 31.431 28.738 0.057 0.000 1.418 164 Q HN 0.230 nan 8.270 nan 0.000 0.411 165 P HA 0.047 nan 4.420 nan 0.000 0.275 165 P C -0.125 177.419 177.300 0.406 0.000 1.227 165 P CA -0.268 63.016 63.100 0.307 0.000 0.781 165 P CB 0.234 32.152 31.700 0.363 0.000 0.906 166 F N 0.003 119.993 119.950 0.067 0.000 2.743 166 F HA 0.283 4.814 4.527 0.007 0.000 0.298 166 F C 0.577 176.407 175.800 0.049 0.000 1.287 166 F CA -0.949 57.084 58.000 0.055 0.000 1.436 166 F CB -0.376 38.656 39.000 0.054 0.000 1.099 166 F HN 0.241 nan 8.300 nan 0.000 0.516 167 E N 0.630 120.959 120.200 0.216 0.000 2.393 167 E HA 0.552 4.905 4.350 0.006 0.000 0.265 167 E C -0.965 175.678 176.600 0.073 0.000 0.941 167 E CA -0.701 55.743 56.400 0.073 0.000 0.801 167 E CB 2.297 32.058 29.700 0.101 0.000 1.313 167 E HN 0.067 nan 8.360 nan 0.000 0.435 168 T N 0.521 115.085 114.554 0.017 0.000 2.858 168 T HA 0.301 4.655 4.350 0.006 0.000 0.285 168 T C 0.401 175.083 174.700 -0.031 0.000 1.052 168 T CA -0.486 61.612 62.100 -0.003 0.000 1.009 168 T CB 0.802 69.653 68.868 -0.028 0.000 1.241 168 T HN 0.454 nan 8.240 nan 0.000 0.542 169 L N 1.871 123.071 121.223 -0.037 0.000 2.109 169 L HA 0.197 4.541 4.340 0.006 0.000 0.207 169 L C 2.441 179.277 176.870 -0.056 0.000 1.086 169 L CA 1.949 56.760 54.840 -0.048 0.000 0.760 169 L CB -0.873 41.172 42.059 -0.023 0.000 0.910 169 L HN 0.766 nan 8.230 nan 0.000 0.437 170 Q N -1.029 118.730 119.800 -0.068 0.000 2.364 170 Q HA -0.148 4.195 4.340 0.006 0.000 0.209 170 Q C 1.720 177.634 176.000 -0.144 0.000 0.977 170 Q CA 2.196 57.930 55.803 -0.115 0.000 0.885 170 Q CB -0.296 28.371 28.738 -0.118 0.000 0.941 170 Q HN 0.549 nan 8.270 nan 0.000 0.464 171 T N -0.416 114.075 114.554 -0.105 0.000 2.976 171 T HA 0.095 4.449 4.350 0.006 0.000 0.257 171 T C 1.523 176.165 174.700 -0.098 0.000 1.051 171 T CA 0.611 62.650 62.100 -0.102 0.000 1.141 171 T CB -0.011 68.812 68.868 -0.074 0.000 0.881 171 T HN 0.200 nan 8.240 nan 0.000 0.461 172 L N 0.685 121.854 121.223 -0.091 0.000 2.217 172 L HA 0.157 4.500 4.340 0.006 0.000 0.211 172 L C 1.330 178.144 176.870 -0.094 0.000 1.107 172 L CA 0.780 55.566 54.840 -0.090 0.000 0.783 172 L CB -0.391 41.562 42.059 -0.175 0.000 0.919 172 L HN 0.213 nan 8.230 nan 0.000 0.442 173 L N 0.169 121.361 121.223 -0.052 0.000 2.862 173 L HA 0.045 4.388 4.340 0.006 0.000 0.240 173 L C 0.722 177.601 176.870 0.015 0.000 1.283 173 L CA 0.390 55.263 54.840 0.055 0.000 1.117 173 L CB -0.298 41.920 42.059 0.265 0.000 1.444 173 L HN 0.303 nan 8.230 nan 0.000 0.456 174 E N -1.231 118.904 120.200 -0.108 0.000 2.703 174 E HA 0.137 4.491 4.350 0.006 0.000 0.214 174 E C 0.466 176.967 176.600 -0.166 0.000 0.944 174 E CA -0.205 56.120 56.400 -0.126 0.000 1.299 174 E CB 1.123 30.727 29.700 -0.160 0.000 1.189 174 E HN 0.311 nan 8.360 nan 0.000 0.597 179 N N 0.841 119.653 118.700 0.187 0.000 2.358 179 N HA 0.054 4.797 4.740 0.006 0.000 0.209 179 N C -0.979 174.556 175.510 0.041 0.000 1.033 179 N CA 1.090 54.190 53.050 0.084 0.000 1.021 179 N CB -0.099 38.418 38.487 0.050 0.000 1.244 179 N HN 0.103 nan 8.380 nan 0.000 0.523 180 P HA 0.182 nan 4.420 nan 0.000 0.225 180 P C 0.014 177.329 177.300 0.025 0.000 1.142 180 P CA 0.462 63.588 63.100 0.043 0.000 0.894 180 P CB 0.909 32.631 31.700 0.037 0.000 0.895 181 K N -0.262 120.147 120.400 0.015 0.000 1.987 181 K HA -0.207 4.116 4.320 0.006 0.000 0.206 181 K C 0.606 177.218 176.600 0.020 0.000 1.587 181 K CA 0.965 57.257 56.287 0.007 0.000 0.589 181 K CB -1.631 30.851 32.500 -0.030 0.000 0.682 181 K HN 0.116 nan 8.250 nan 0.000 0.876 182 R N 1.533 122.040 120.500 0.011 0.000 2.630 182 R HA 0.085 4.429 4.340 0.006 0.000 0.286 182 R C -0.244 176.076 176.300 0.034 0.000 1.391 182 R CA 0.406 56.521 56.100 0.025 0.000 1.027 182 R CB -0.790 29.524 30.300 0.023 0.000 1.099 182 R HN 0.182 nan 8.270 nan 0.000 0.525 183 I N 3.936 124.530 120.570 0.039 0.000 2.468 183 I HA 0.240 4.413 4.170 0.006 0.000 0.284 183 I C 0.124 176.256 176.117 0.025 0.000 1.038 183 I CA -0.859 60.471 61.300 0.050 0.000 1.083 183 I CB 1.771 39.814 38.000 0.072 0.000 1.223 183 I HN 0.289 nan 8.210 nan 0.000 0.443 184 R N 5.104 125.609 120.500 0.008 0.000 2.480 184 R HA 0.216 4.560 4.340 0.006 0.000 0.303 184 R C -0.206 176.066 176.300 -0.046 0.000 0.985 184 R CA 0.025 56.100 56.100 -0.042 0.000 1.051 184 R CB 0.388 30.659 30.300 -0.048 0.000 0.935 184 R HN 0.519 nan 8.270 nan 0.000 0.410 185 V N -0.304 119.552 119.914 -0.098 0.000 3.158 185 V HA 0.676 4.800 4.120 0.006 0.000 0.315 185 V C -0.455 175.529 176.094 -0.184 0.000 1.148 185 V CA -1.008 61.237 62.300 -0.092 0.000 1.042 185 V CB 2.342 34.134 31.823 -0.052 0.000 1.101 185 V HN 0.696 nan 8.190 nan 0.000 0.448 186 K N 1.550 121.855 120.400 -0.158 0.000 2.553 186 K HA 0.565 4.888 4.320 0.006 0.000 0.250 186 K C -3.160 173.312 176.600 -0.214 0.000 0.953 186 K CA -1.736 54.428 56.287 -0.204 0.000 0.800 186 K CB 2.851 35.261 32.500 -0.149 0.000 1.243 186 K HN 0.565 nan 8.250 nan 0.000 0.435 187 P HA 0.063 nan 4.420 nan 0.000 0.276 187 P C 1.124 178.264 177.300 -0.266 0.000 1.230 187 P CA -0.584 62.265 63.100 -0.418 0.000 0.776 187 P CB 0.493 31.719 31.700 -0.792 0.000 0.888 188 I N 3.142 123.591 120.570 -0.202 0.000 2.109 188 I HA -0.231 3.943 4.170 0.006 0.000 0.233 188 I C 1.968 178.023 176.117 -0.103 0.000 1.005 188 I CA 2.342 63.570 61.300 -0.121 0.000 1.294 188 I CB -2.175 35.770 38.000 -0.091 0.000 1.005 188 I HN 0.482 nan 8.210 nan 0.000 0.392 189 G N 0.326 109.065 108.800 -0.101 0.000 3.379 189 G HA2 0.399 4.362 3.960 0.006 0.000 0.253 189 G HA3 0.399 4.362 3.960 0.006 0.000 0.253 189 G C 0.131 174.977 174.900 -0.090 0.000 1.262 189 G CA 0.031 45.109 45.100 -0.038 0.000 0.959 189 G HN 0.181 nan 8.290 nan 0.000 0.524 190 I N -1.026 119.402 120.570 -0.236 0.000 2.740 190 I HA 0.335 4.508 4.170 0.006 0.000 0.303 190 I C -0.845 175.204 176.117 -0.113 0.000 1.044 190 I CA -1.298 59.795 61.300 -0.345 0.000 1.064 190 I CB 2.522 40.195 38.000 -0.545 0.000 1.249 190 I HN -0.108 nan 8.210 nan 0.000 0.433 191 D N 3.714 124.112 120.400 -0.002 0.000 2.970 191 D HA 0.352 4.996 4.640 0.006 0.000 0.282 191 D C -1.460 174.919 176.300 0.133 0.000 1.291 191 D CA 0.043 54.069 54.000 0.043 0.000 0.967 191 D CB -0.002 40.832 40.800 0.056 0.000 1.017 191 D HN 0.279 nan 8.370 nan 0.000 0.512 192 F N 1.336 121.242 119.950 -0.073 0.000 2.615 192 F HA 0.457 4.988 4.527 0.006 0.000 0.312 192 F C -1.992 173.770 175.800 -0.064 0.000 1.119 192 F CA -1.039 56.928 58.000 -0.056 0.000 0.979 192 F CB 1.319 40.296 39.000 -0.038 0.000 1.266 192 F HN -0.188 nan 8.300 nan 0.000 0.444 193 V N 6.063 125.321 119.914 -1.095 0.000 2.311 193 V HA 0.708 4.831 4.120 0.006 0.000 0.275 193 V C 0.461 175.713 176.094 -1.404 0.000 1.022 193 V CA -0.046 61.668 62.300 -0.977 0.000 0.830 193 V CB 0.629 32.206 31.823 -0.410 0.000 1.012 193 V HN 1.022 nan 8.190 nan 0.000 0.452 194 G N 5.073 113.142 108.800 -1.219 0.000 2.601 194 G HA2 0.715 4.678 3.960 0.006 0.000 0.317 194 G HA3 0.715 4.678 3.960 0.006 0.000 0.317 194 G C -0.690 174.135 174.900 -0.126 0.000 1.246 194 G CA -0.867 43.955 45.100 -0.464 0.000 1.012 194 G HN 0.510 nan 8.290 nan 0.000 0.494 195 R N -0.388 120.131 120.500 0.033 0.000 2.664 195 R HA 0.528 4.872 4.340 0.006 0.000 0.286 195 R C -0.680 175.667 176.300 0.078 0.000 0.967 195 R CA -0.813 55.311 56.100 0.040 0.000 0.933 195 R CB 1.340 31.669 30.300 0.049 0.000 1.146 195 R HN 0.252 nan 8.270 nan 0.000 0.468 196 V N 2.710 122.662 119.914 0.064 0.000 2.732 196 V HA 0.072 4.196 4.120 0.006 0.000 0.297 196 V C 0.952 177.090 176.094 0.074 0.000 1.060 196 V CA -0.137 62.210 62.300 0.078 0.000 1.038 196 V CB 1.345 33.204 31.823 0.059 0.000 1.003 196 V HN 0.664 nan 8.190 nan 0.000 0.481 197 Q N 1.759 121.612 119.800 0.088 0.000 2.612 197 Q HA 0.273 4.617 4.340 0.006 0.000 0.193 197 Q C -0.195 175.847 176.000 0.070 0.000 0.828 197 Q CA 0.337 56.188 55.803 0.080 0.000 0.851 197 Q CB 0.527 29.325 28.738 0.100 0.000 1.178 197 Q HN 0.883 nan 8.270 nan 0.000 0.634 198 D N 0.152 120.608 120.400 0.094 0.000 2.763 198 D HA 0.329 4.973 4.640 0.006 0.000 0.235 198 D C -1.321 175.048 176.300 0.114 0.000 1.334 198 D CA -0.255 53.797 54.000 0.087 0.000 0.950 198 D CB 1.703 42.557 40.800 0.090 0.000 1.433 198 D HN -0.182 nan 8.370 nan 0.000 0.580 199 V N 4.470 124.404 119.914 0.033 0.000 2.530 199 V HA 0.514 4.637 4.120 0.006 0.000 0.282 199 V C 0.171 176.231 176.094 -0.056 0.000 1.048 199 V CA -0.206 62.060 62.300 -0.056 0.000 0.997 199 V CB 0.046 31.819 31.823 -0.083 0.000 0.987 199 V HN 0.478 nan 8.190 nan 0.000 0.477 200 F N 1.881 121.783 119.950 -0.079 0.000 2.654 200 F HA 0.762 5.293 4.527 0.006 0.000 0.334 200 F C -0.221 175.515 175.800 -0.105 0.000 1.078 200 F CA -1.784 56.142 58.000 -0.123 0.000 0.986 200 F CB 1.218 40.174 39.000 -0.074 0.000 1.362 200 F HN 0.232 nan 8.300 nan 0.000 0.498 201 K N 0.750 121.280 120.400 0.215 0.000 2.298 201 K HA 0.514 4.838 4.320 0.006 0.000 0.280 201 K C 0.585 177.428 176.600 0.404 0.000 1.032 201 K CA 0.059 56.476 56.287 0.216 0.000 0.958 201 K CB 1.542 34.131 32.500 0.149 0.000 0.978 201 K HN 0.824 nan 8.250 nan 0.000 0.472 202 A N 3.981 127.011 122.820 0.349 0.000 2.014 202 A HA -0.177 4.147 4.320 0.006 0.000 0.218 202 A C 1.935 179.781 177.584 0.436 0.000 1.163 202 A CA 1.261 53.549 52.037 0.418 0.000 0.652 202 A CB -0.358 18.892 19.000 0.417 0.000 0.808 202 A HN 0.893 nan 8.150 nan 0.000 0.449 203 K N 0.245 120.832 120.400 0.312 0.000 2.103 203 K HA -0.225 4.099 4.320 0.006 0.000 0.207 203 K C 1.666 178.383 176.600 0.196 0.000 1.048 203 K CA 1.720 58.157 56.287 0.249 0.000 0.930 203 K CB -0.392 32.202 32.500 0.156 0.000 0.716 203 K HN 0.327 nan 8.250 nan 0.000 0.444 204 E N 1.889 122.169 120.200 0.133 0.000 2.208 204 E HA -0.210 4.144 4.350 0.006 0.000 0.202 204 E C 0.641 177.189 176.600 -0.088 0.000 1.014 204 E CA 1.611 58.017 56.400 0.011 0.000 0.819 204 E CB -0.120 29.559 29.700 -0.035 0.000 0.735 204 E HN 0.214 nan 8.360 nan 0.000 0.469 205 K N 0.392 120.714 120.400 -0.130 0.000 2.911 205 K HA 0.251 4.575 4.320 0.006 0.000 0.239 205 K C 0.653 177.228 176.600 -0.041 0.000 1.090 205 K CA 0.529 56.592 56.287 -0.373 0.000 1.225 205 K CB -0.130 31.724 32.500 -1.077 0.000 1.087 205 K HN 0.394 nan 8.250 nan 0.000 0.464 206 G N 2.020 110.875 108.800 0.092 0.000 2.692 206 G HA2 -0.485 3.478 3.960 0.006 0.000 0.339 206 G HA3 -0.485 3.478 3.960 0.006 0.000 0.339 206 G C 0.841 175.967 174.900 0.378 0.000 1.226 206 G CA 1.268 46.471 45.100 0.173 0.000 0.979 206 G HN 0.541 nan 8.290 nan 0.000 0.549 207 E N -1.420 119.004 120.200 0.374 0.000 2.756 207 E HA 0.098 4.452 4.350 0.006 0.000 0.218 207 E C 1.848 178.727 176.600 0.466 0.000 1.042 207 E CA 0.877 57.559 56.400 0.470 0.000 1.713 207 E CB -0.654 29.158 29.700 0.188 0.000 2.443 207 E HN 0.595 nan 8.360 nan 0.000 1.080 208 E N 0.851 121.206 120.200 0.258 0.000 2.401 208 E HA -0.126 4.227 4.350 0.006 0.000 0.199 208 E C 1.505 178.188 176.600 0.138 0.000 1.023 208 E CA 0.672 57.170 56.400 0.164 0.000 0.859 208 E CB -0.310 29.445 29.700 0.092 0.000 0.780 208 E HN 0.280 nan 8.360 nan 0.000 0.523 209 F N 1.855 121.788 119.950 -0.027 0.000 2.031 209 F HA -0.147 4.384 4.527 0.006 0.000 0.295 209 F C 1.782 177.409 175.800 -0.289 0.000 1.133 209 F CA 1.437 59.284 58.000 -0.254 0.000 1.188 209 F CB -0.370 38.333 39.000 -0.495 0.000 0.974 209 F HN -0.149 nan 8.300 nan 0.000 0.473 210 F N 0.203 120.201 119.950 0.078 0.000 2.346 210 F HA -0.164 4.367 4.527 0.006 0.000 0.301 210 F C 2.357 178.073 175.800 -0.141 0.000 1.070 210 F CA 1.125 59.079 58.000 -0.077 0.000 1.407 210 F CB -1.051 38.020 39.000 0.120 0.000 1.072 210 F HN -0.068 nan 8.300 nan 0.000 0.543 211 R N 1.062 121.619 120.500 0.095 0.000 2.070 211 R HA -0.065 4.279 4.340 0.006 0.000 0.227 211 R C 2.076 178.320 176.300 -0.093 0.000 1.147 211 R CA 1.356 57.471 56.100 0.026 0.000 0.924 211 R CB -1.012 29.309 30.300 0.036 0.000 0.827 211 R HN 0.225 nan 8.270 nan 0.000 0.431 212 L N 0.216 121.336 121.223 -0.171 0.000 1.981 212 L HA -0.432 3.912 4.340 0.006 0.000 0.237 212 L C 2.739 179.443 176.870 -0.276 0.000 1.095 212 L CA 2.166 56.871 54.840 -0.225 0.000 0.820 212 L CB -1.080 40.799 42.059 -0.300 0.000 0.914 212 L HN 0.589 nan 8.230 nan 0.000 0.442 213 C N -1.283 117.730 119.300 -0.480 0.000 2.397 213 C HA -0.267 4.196 4.460 0.006 0.000 0.282 213 C C 2.652 177.434 174.990 -0.346 0.000 1.252 213 C CA 0.683 59.384 59.018 -0.529 0.000 1.811 213 C CB -1.233 25.915 27.740 -0.988 0.000 2.027 213 C HN 0.638 nan 8.230 nan 0.000 0.503 214 M N 1.237 120.680 119.600 -0.261 0.000 2.460 214 M HA -0.065 4.419 4.480 0.006 0.000 0.263 214 M C 1.935 178.285 176.300 0.084 0.000 1.071 214 M CA 1.562 56.897 55.300 0.058 0.000 1.096 214 M CB -0.613 32.064 32.600 0.127 0.000 1.408 214 M HN 0.630 nan 8.290 nan 0.000 0.463 215 E N -0.964 119.237 120.200 0.002 0.000 2.389 215 E HA 0.040 4.394 4.350 0.006 0.000 0.199 215 E C 1.044 177.652 176.600 0.013 0.000 0.978 215 E CA 0.006 56.416 56.400 0.017 0.000 0.912 215 E CB 0.386 30.081 29.700 -0.008 0.000 0.907 215 E HN 0.444 nan 8.360 nan 0.000 0.494 216 R N 1.142 121.631 120.500 -0.019 0.000 2.423 216 R HA 0.197 4.541 4.340 0.006 0.000 0.248 216 R C -0.080 176.253 176.300 0.055 0.000 1.019 216 R CA -0.048 56.043 56.100 -0.014 0.000 1.119 216 R CB 0.344 30.596 30.300 -0.080 0.000 1.176 216 R HN -0.113 nan 8.270 nan 0.000 0.526 217 S N 0.332 116.103 115.700 0.118 0.000 2.541 217 S HA 0.161 4.634 4.470 0.006 0.000 0.283 217 S C 0.841 175.515 174.600 0.124 0.000 1.196 217 S CA -0.561 57.764 58.200 0.207 0.000 1.062 217 S CB 1.721 65.115 63.200 0.323 0.000 1.009 217 S HN 0.343 nan 8.310 nan 0.000 0.502 218 T N -0.599 114.004 114.554 0.081 0.000 3.393 218 T HA 0.299 4.653 4.350 0.006 0.000 0.298 218 T C -0.477 174.032 174.700 -0.318 0.000 1.004 218 T CA -0.358 61.683 62.100 -0.099 0.000 0.956 218 T CB -0.203 68.564 68.868 -0.167 0.000 1.182 218 T HN 0.616 nan 8.240 nan 0.000 0.497 219 H N 0.980 120.127 119.070 0.128 0.000 2.934 219 H HA 0.379 4.939 4.556 0.006 0.000 0.340 219 H C 0.347 175.728 175.328 0.088 0.000 1.008 219 H CA -0.803 55.308 56.048 0.104 0.000 1.317 219 H CB 2.229 32.060 29.762 0.116 0.000 1.670 219 H HN 0.080 nan 8.280 nan 0.000 0.516 220 K N 1.038 121.539 120.400 0.168 0.000 2.127 220 K HA -0.206 4.117 4.320 0.006 0.000 0.208 220 K C 1.963 178.623 176.600 0.099 0.000 1.047 220 K CA 1.726 58.081 56.287 0.113 0.000 0.927 220 K CB 0.197 32.749 32.500 0.086 0.000 0.716 220 K HN 0.277 nan 8.250 nan 0.000 0.450 221 S N 0.612 116.373 115.700 0.102 0.000 2.404 221 S HA -0.186 4.288 4.470 0.006 0.000 0.216 221 S C 2.078 176.684 174.600 0.011 0.000 1.039 221 S CA 1.866 60.084 58.200 0.029 0.000 1.062 221 S CB -0.395 62.794 63.200 -0.017 0.000 1.046 221 S HN 0.276 nan 8.310 nan 0.000 0.415 222 S N 1.545 117.282 115.700 0.062 0.000 2.380 222 S HA -0.249 4.225 4.470 0.006 0.000 0.229 222 S C 1.847 176.464 174.600 0.028 0.000 1.050 222 S CA 2.111 60.324 58.200 0.020 0.000 1.100 222 S CB -0.723 62.672 63.200 0.325 0.000 0.984 222 S HN 0.637 nan 8.310 nan 0.000 0.434 223 K N 1.131 121.649 120.400 0.196 0.000 1.980 223 K HA -0.182 4.142 4.320 0.006 0.000 0.223 223 K C 1.996 178.698 176.600 0.169 0.000 1.052 223 K CA 1.847 58.271 56.287 0.229 0.000 0.974 223 K CB -0.269 32.335 32.500 0.174 0.000 0.734 223 K HN 0.132 nan 8.250 nan 0.000 0.447 224 K N -0.250 120.211 120.400 0.102 0.000 2.286 224 K HA -0.185 4.139 4.320 0.006 0.000 0.203 224 K C 1.974 178.604 176.600 0.050 0.000 1.045 224 K CA 1.209 57.540 56.287 0.073 0.000 0.935 224 K CB -0.144 32.383 32.500 0.046 0.000 0.737 224 K HN 0.371 nan 8.250 nan 0.000 0.460 225 A N 0.050 122.863 122.820 -0.013 0.000 1.898 225 A HA -0.101 4.222 4.320 0.006 0.000 0.214 225 A C 1.772 179.356 177.584 -0.001 0.000 1.183 225 A CA 0.681 52.658 52.037 -0.100 0.000 0.622 225 A CB -0.642 18.184 19.000 -0.290 0.000 0.824 225 A HN 0.426 nan 8.150 nan 0.000 0.444 226 W N -0.026 121.361 121.300 0.145 0.000 2.379 226 W HA -0.089 4.575 4.660 0.006 0.000 0.307 226 W C 2.318 178.924 176.519 0.144 0.000 1.200 226 W CA 0.926 58.378 57.345 0.179 0.000 1.297 226 W CB -0.068 29.489 29.460 0.161 0.000 1.140 226 W HN 0.516 nan 8.180 nan 0.000 0.507 227 E N 0.951 121.355 120.200 0.339 0.000 2.070 227 E HA -0.286 4.067 4.350 0.006 0.000 0.197 227 E C 1.912 178.596 176.600 0.140 0.000 1.004 227 E CA 1.629 58.149 56.400 0.200 0.000 0.805 227 E CB -0.162 29.622 29.700 0.141 0.000 0.744 227 E HN 0.191 nan 8.360 nan 0.000 0.451 228 E N 0.736 121.008 120.200 0.120 0.000 2.037 228 E HA -0.253 4.101 4.350 0.006 0.000 0.214 228 E C 2.358 178.991 176.600 0.055 0.000 1.041 228 E CA 1.679 58.120 56.400 0.068 0.000 0.872 228 E CB -0.672 29.058 29.700 0.051 0.000 0.785 228 E HN 0.409 nan 8.360 nan 0.000 0.476 229 L N 0.459 121.740 121.223 0.096 0.000 2.051 229 L HA -0.246 4.098 4.340 0.006 0.000 0.214 229 L C 2.789 179.551 176.870 -0.179 0.000 1.076 229 L CA 0.876 55.720 54.840 0.007 0.000 0.758 229 L CB -0.598 41.583 42.059 0.202 0.000 0.890 229 L HN 0.167 nan 8.230 nan 0.000 0.433 230 L N 0.433 121.633 121.223 -0.039 0.000 1.994 230 L HA -0.184 4.159 4.340 0.006 0.000 0.208 230 L C 1.752 178.578 176.870 -0.074 0.000 1.071 230 L CA 1.879 56.672 54.840 -0.079 0.000 0.745 230 L CB -0.390 41.729 42.059 0.099 0.000 0.892 230 L HN 0.073 nan 8.230 nan 0.000 0.431 231 K N 0.305 120.695 120.400 -0.016 0.000 2.911 231 K HA 0.146 4.470 4.320 0.006 0.000 0.239 231 K C -0.418 176.165 176.600 -0.028 0.000 1.090 231 K CA 0.107 56.386 56.287 -0.014 0.000 1.225 231 K CB -0.509 31.997 32.500 0.011 0.000 1.087 231 K HN 0.252 nan 8.250 nan 0.000 0.464 232 N N 0.235 118.898 118.700 -0.061 0.000 3.112 232 N HA 0.119 4.862 4.740 0.006 0.000 0.231 232 N C -0.271 175.190 175.510 -0.081 0.000 1.385 232 N CA -0.227 52.790 53.050 -0.054 0.000 0.790 232 N CB 0.578 39.045 38.487 -0.034 0.000 1.563 232 N HN -0.117 nan 8.380 nan 0.000 0.613 233 R N 0.570 121.027 120.500 -0.071 0.000 2.189 233 R HA -0.045 4.299 4.340 0.006 0.000 0.223 233 R C 1.585 177.862 176.300 -0.039 0.000 1.092 233 R CA 1.143 57.202 56.100 -0.068 0.000 0.989 233 R CB 0.088 30.363 30.300 -0.041 0.000 0.876 233 R HN 0.695 nan 8.270 nan 0.000 0.457 234 E N 0.767 120.949 120.200 -0.030 0.000 2.013 234 E HA -0.276 4.077 4.350 0.006 0.000 0.202 234 E C 1.687 178.277 176.600 -0.017 0.000 1.018 234 E CA 1.662 58.051 56.400 -0.019 0.000 0.834 234 E CB -0.142 29.547 29.700 -0.019 0.000 0.770 234 E HN 0.229 nan 8.360 nan 0.000 0.459 235 L N 1.444 122.654 121.223 -0.022 0.000 2.056 235 L HA -0.100 4.244 4.340 0.006 0.000 0.207 235 L C 2.602 179.474 176.870 0.003 0.000 1.078 235 L CA 1.937 56.767 54.840 -0.016 0.000 0.749 235 L CB -0.678 41.370 42.059 -0.018 0.000 0.901 235 L HN 0.161 nan 8.230 nan 0.000 0.433 236 R N -0.459 120.033 120.500 -0.013 0.000 2.228 236 R HA -0.285 4.059 4.340 0.006 0.000 0.264 236 R C 2.024 178.381 176.300 0.095 0.000 1.179 236 R CA 2.358 58.466 56.100 0.013 0.000 0.998 236 R CB -0.189 30.053 30.300 -0.096 0.000 0.885 236 R HN 0.626 nan 8.270 nan 0.000 0.466 237 E N -0.283 119.956 120.200 0.066 0.000 2.011 237 E HA -0.110 4.244 4.350 0.006 0.000 0.191 237 E C 1.792 178.451 176.600 0.100 0.000 0.980 237 E CA 1.004 57.459 56.400 0.092 0.000 0.814 237 E CB 0.014 29.750 29.700 0.060 0.000 0.775 237 E HN 0.276 nan 8.360 nan 0.000 0.454 238 K N 0.539 120.961 120.400 0.036 0.000 2.442 238 K HA -0.052 4.272 4.320 0.006 0.000 0.200 238 K C 0.356 176.872 176.600 -0.139 0.000 1.045 238 K CA 0.452 56.723 56.287 -0.026 0.000 0.937 238 K CB 0.018 32.485 32.500 -0.056 0.000 0.757 238 K HN 0.020 nan 8.250 nan 0.000 0.474 239 A N 0.847 123.633 122.820 -0.057 0.000 2.325 239 A HA 0.620 4.944 4.320 0.006 0.000 0.333 239 A C -0.688 176.962 177.584 0.110 0.000 1.155 239 A CA -0.713 51.246 52.037 -0.131 0.000 0.814 239 A CB 0.557 19.531 19.000 -0.043 0.000 1.206 239 A HN 0.086 nan 8.150 nan 0.000 0.482 240 F N 0.745 120.680 119.950 -0.024 0.000 2.397 240 F HA 0.484 5.015 4.527 0.006 0.000 0.331 240 F C -0.006 175.700 175.800 -0.158 0.000 1.090 240 F CA -0.752 57.194 58.000 -0.091 0.000 1.065 240 F CB 1.435 40.374 39.000 -0.103 0.000 1.184 240 F HN 0.261 nan 8.300 nan 0.000 0.499 241 L N 3.747 124.845 121.223 -0.209 0.000 2.280 241 L HA 0.425 4.769 4.340 0.006 0.000 0.287 241 L C -0.615 175.862 176.870 -0.655 0.000 1.023 241 L CA -0.801 53.799 54.840 -0.400 0.000 0.819 241 L CB 1.545 43.311 42.059 -0.489 0.000 1.212 241 L HN 0.350 nan 8.230 nan 0.000 0.420 242 V N 4.021 123.829 119.914 -0.176 0.000 2.509 242 V HA 0.258 4.381 4.120 0.006 0.000 0.284 242 V C 0.122 176.276 176.094 0.100 0.000 1.047 242 V CA -0.643 61.625 62.300 -0.052 0.000 0.952 242 V CB 1.876 33.728 31.823 0.048 0.000 0.988 242 V HN 0.500 nan 8.190 nan 0.000 0.469 243 V N 4.575 124.584 119.914 0.159 0.000 2.275 243 V HA 0.527 4.651 4.120 0.006 0.000 0.272 243 V C 0.014 176.236 176.094 0.214 0.000 1.028 243 V CA -0.633 61.814 62.300 0.246 0.000 0.810 243 V CB 0.346 32.358 31.823 0.315 0.000 1.043 243 V HN 0.639 nan 8.190 nan 0.000 0.453 249 T N 1.038 115.569 114.554 -0.037 0.000 3.168 249 T HA 0.645 4.999 4.350 0.006 0.000 0.373 249 T C -2.221 172.459 174.700 -0.034 0.000 1.681 249 T CA -0.696 61.452 62.100 0.080 0.000 1.135 249 T CB 0.458 69.478 68.868 0.254 0.000 1.477 249 T HN 0.509 nan 8.240 nan 0.000 0.480 250 Y N 1.991 122.494 120.300 0.337 0.000 2.790 250 Y HA 0.735 5.288 4.550 0.006 0.000 0.323 250 Y C -2.498 173.420 175.900 0.029 0.000 1.230 250 Y CA -2.487 55.718 58.100 0.173 0.000 1.121 250 Y CB 1.068 39.530 38.460 0.004 0.000 1.328 250 Y HN 0.390 nan 8.280 nan 0.000 0.514 251 P HA 0.294 nan 4.420 nan 0.000 0.292 251 P C -0.335 176.950 177.300 -0.026 0.000 1.283 251 P CA -0.324 62.746 63.100 -0.050 0.000 0.835 251 P CB 1.500 33.084 31.700 -0.193 0.000 1.017 252 A N 2.252 125.074 122.820 0.002 0.000 2.234 252 A HA -0.146 4.178 4.320 0.006 0.000 0.216 252 A C 1.620 179.174 177.584 -0.050 0.000 1.167 252 A CA 2.110 54.141 52.037 -0.011 0.000 0.698 252 A CB -1.548 17.457 19.000 0.009 0.000 0.779 252 A HN 0.626 nan 8.150 nan 0.000 0.475 253 T N -2.034 112.480 114.554 -0.068 0.000 3.113 253 T HA 0.201 4.554 4.350 0.006 0.000 0.256 253 T C 0.928 175.576 174.700 -0.087 0.000 1.131 253 T CA 0.876 62.929 62.100 -0.078 0.000 1.074 253 T CB -0.576 68.246 68.868 -0.077 0.000 0.944 253 T HN 0.885 nan 8.240 nan 0.000 0.516 254 I N -1.767 118.740 120.570 -0.105 0.000 3.241 254 I HA 0.535 4.708 4.170 0.006 0.000 0.333 254 I C -0.962 175.069 176.117 -0.144 0.000 1.534 254 I CA -0.916 60.308 61.300 -0.127 0.000 0.979 254 I CB 0.341 38.238 38.000 -0.171 0.000 1.497 254 I HN -0.010 nan 8.210 nan 0.000 0.530 255 L N 1.894 123.058 121.223 -0.099 0.000 2.406 255 L HA 0.585 4.928 4.340 0.006 0.000 0.272 255 L C -0.656 176.184 176.870 -0.050 0.000 0.980 255 L CA -0.556 54.228 54.840 -0.094 0.000 0.831 255 L CB 2.220 44.242 42.059 -0.061 0.000 1.253 255 L HN 0.176 nan 8.230 nan 0.000 0.406 256 K N 3.860 124.234 120.400 -0.044 0.000 2.274 256 K HA 0.478 4.801 4.320 0.006 0.000 0.262 256 K C -2.577 174.034 176.600 0.019 0.000 0.961 256 K CA -1.848 54.444 56.287 0.007 0.000 0.833 256 K CB 2.098 34.611 32.500 0.022 0.000 1.102 256 K HN 0.157 nan 8.250 nan 0.000 0.436 257 P HA -0.010 nan 4.420 nan 0.000 0.267 257 P C -0.749 176.597 177.300 0.077 0.000 1.205 257 P CA -0.299 62.864 63.100 0.105 0.000 0.765 257 P CB 0.572 32.431 31.700 0.265 0.000 0.828 258 V N 5.585 125.514 119.914 0.024 0.000 2.406 258 V HA 0.206 4.330 4.120 0.006 0.000 0.272 258 V C 0.507 176.607 176.094 0.010 0.000 1.043 258 V CA -0.219 62.081 62.300 -0.001 0.000 0.915 258 V CB 0.363 32.159 31.823 -0.046 0.000 0.988 258 V HN 0.392 nan 8.190 nan 0.000 0.466 259 L N 4.996 126.219 121.223 0.000 0.000 2.322 259 L HA 0.618 4.961 4.340 0.006 0.000 0.279 259 L C 0.727 177.580 176.870 -0.028 0.000 1.036 259 L CA -0.241 54.584 54.840 -0.025 0.000 0.807 259 L CB 2.194 44.211 42.059 -0.071 0.000 1.226 259 L HN 0.827 nan 8.230 nan 0.000 0.433 260 T N -1.767 112.769 114.554 -0.029 0.000 2.923 260 T HA 0.622 4.976 4.350 0.006 0.000 0.281 260 T C 0.107 174.785 174.700 -0.036 0.000 0.995 260 T CA -0.210 61.876 62.100 -0.024 0.000 0.985 260 T CB 0.885 69.747 68.868 -0.009 0.000 1.114 260 T HN 0.396 nan 8.240 nan 0.000 0.548 273 A N 0.781 123.575 122.820 -0.044 0.000 3.000 273 A HA 0.600 4.924 4.320 0.006 0.000 0.315 273 A C -0.192 177.359 177.584 -0.055 0.000 1.434 273 A CA 0.519 52.524 52.037 -0.053 0.000 1.108 273 A CB -0.391 18.576 19.000 -0.054 0.000 1.171 273 A HN 0.505 nan 8.150 nan 0.000 0.524 274 D N 1.522 121.888 120.400 -0.056 0.000 2.895 274 D HA 0.287 4.931 4.640 0.006 0.000 0.258 274 D C -0.318 175.939 176.300 -0.072 0.000 1.311 274 D CA 0.189 54.154 54.000 -0.058 0.000 0.843 274 D CB -0.009 40.763 40.800 -0.047 0.000 1.055 274 D HN 0.243 nan 8.370 nan 0.000 0.486 275 I N 1.822 122.340 120.570 -0.086 0.000 2.714 275 I HA 0.179 4.353 4.170 0.006 0.000 0.274 275 I C -0.909 175.129 176.117 -0.131 0.000 1.261 275 I CA -0.624 60.610 61.300 -0.110 0.000 1.008 275 I CB 1.139 39.073 38.000 -0.110 0.000 1.289 275 I HN -0.096 nan 8.210 nan 0.000 0.529 276 V N 7.088 126.921 119.914 -0.135 0.000 2.495 276 V HA 0.478 4.602 4.120 0.006 0.000 0.298 276 V C 1.371 177.350 176.094 -0.191 0.000 1.031 276 V CA -0.597 61.615 62.300 -0.146 0.000 0.871 276 V CB 1.856 33.614 31.823 -0.108 0.000 0.988 276 V HN 0.695 nan 8.190 nan 0.000 0.432 277 R N 5.907 126.260 120.500 -0.245 0.000 2.339 277 R HA 0.092 4.436 4.340 0.006 0.000 0.199 277 R C 0.625 176.820 176.300 -0.176 0.000 1.018 277 R CA 0.156 56.066 56.100 -0.316 0.000 1.036 277 R CB -0.963 29.060 30.300 -0.462 0.000 0.899 277 R HN 0.731 nan 8.270 nan 0.000 0.473 278 M N 1.226 120.750 119.600 -0.126 0.000 7.319 278 M HA -0.251 4.233 4.480 0.006 0.000 0.295 278 M C 0.227 176.500 176.300 -0.045 0.000 0.480 278 M CA 1.533 56.785 55.300 -0.080 0.000 1.311 278 M CB -0.723 31.832 32.600 -0.074 0.000 0.421 278 M HN 0.474 nan 8.290 nan 0.000 0.257 279 E N 2.445 122.629 120.200 -0.028 0.000 2.485 279 E HA -0.031 4.323 4.350 0.006 0.000 0.266 279 E C -1.722 174.901 176.600 0.038 0.000 1.090 279 E CA -0.495 55.906 56.400 0.001 0.000 0.987 279 E CB -0.152 29.549 29.700 0.002 0.000 0.974 279 E HN 0.485 nan 8.360 nan 0.000 0.455 280 P HA -0.244 nan 4.420 nan 0.000 0.215 280 P C 1.547 178.945 177.300 0.162 0.000 1.153 280 P CA 1.904 65.110 63.100 0.176 0.000 0.853 280 P CB -0.295 31.539 31.700 0.223 0.000 0.788 281 G N 1.205 110.070 108.800 0.107 0.000 2.703 281 G HA2 -0.322 3.641 3.960 0.006 0.000 0.222 281 G HA3 -0.322 3.641 3.960 0.006 0.000 0.222 281 G C 1.700 176.624 174.900 0.039 0.000 1.183 281 G CA 1.675 46.814 45.100 0.064 0.000 0.775 281 G HN 0.321 nan 8.290 nan 0.000 0.615 282 K N -0.341 120.079 120.400 0.033 0.000 2.001 282 K HA 0.004 4.327 4.320 0.006 0.000 0.208 282 K C 2.764 179.388 176.600 0.040 0.000 1.048 282 K CA 0.736 57.035 56.287 0.020 0.000 0.932 282 K CB -0.238 32.261 32.500 -0.001 0.000 0.715 282 K HN 0.069 nan 8.250 nan 0.000 0.437 283 R N 1.109 121.653 120.500 0.073 0.000 2.133 283 R HA -0.205 4.139 4.340 0.006 0.000 0.245 283 R C 2.385 178.729 176.300 0.073 0.000 1.137 283 R CA 1.504 57.673 56.100 0.114 0.000 0.947 283 R CB -0.866 29.544 30.300 0.184 0.000 0.865 283 R HN 0.298 nan 8.270 nan 0.000 0.437 284 L N 0.724 121.956 121.223 0.015 0.000 1.994 284 L HA -0.220 4.123 4.340 0.006 0.000 0.208 284 L C 1.682 178.487 176.870 -0.109 0.000 1.071 284 L CA 1.773 56.488 54.840 -0.208 0.000 0.745 284 L CB -0.351 41.435 42.059 -0.454 0.000 0.892 284 L HN 0.219 nan 8.230 nan 0.000 0.431 285 N N -0.604 118.066 118.700 -0.050 0.000 2.364 285 N HA -0.213 4.531 4.740 0.006 0.000 0.183 285 N C 1.485 177.014 175.510 0.032 0.000 1.022 285 N CA 0.811 53.853 53.050 -0.012 0.000 0.883 285 N CB -0.061 38.427 38.487 0.002 0.000 0.965 285 N HN 0.154 nan 8.380 nan 0.000 0.438 286 L N 0.973 122.222 121.223 0.044 0.000 2.027 286 L HA 0.015 4.359 4.340 0.006 0.000 0.206 286 L C 1.826 178.738 176.870 0.069 0.000 1.074 286 L CA 1.198 56.102 54.840 0.107 0.000 0.745 286 L CB -0.549 41.587 42.059 0.128 0.000 0.898 286 L HN 0.297 nan 8.230 nan 0.000 0.433 287 I N -3.150 117.403 120.570 -0.028 0.000 2.394 287 I HA -0.220 3.953 4.170 0.006 0.000 0.251 287 I C 2.415 178.403 176.117 -0.215 0.000 1.136 287 I CA 1.028 62.239 61.300 -0.149 0.000 1.425 287 I CB -0.540 37.384 38.000 -0.127 0.000 1.079 287 I HN 0.178 nan 8.210 nan 0.000 0.425 288 R N 0.154 120.577 120.500 -0.128 0.000 2.103 288 R HA -0.225 4.119 4.340 0.006 0.000 0.242 288 R C 2.339 178.566 176.300 -0.122 0.000 1.142 288 R CA 2.268 58.279 56.100 -0.148 0.000 0.960 288 R CB -0.822 29.446 30.300 -0.054 0.000 0.858 288 R HN 0.482 nan 8.270 nan 0.000 0.439 289 Y N 1.684 121.896 120.300 -0.148 0.000 2.060 289 Y HA -0.213 4.340 4.550 0.005 0.000 0.276 289 Y C 2.126 177.894 175.900 -0.221 0.000 1.127 289 Y CA 1.444 59.485 58.100 -0.098 0.000 1.104 289 Y CB -0.662 37.815 38.460 0.028 0.000 0.983 289 Y HN -0.101 nan 8.280 nan 0.000 0.483 290 I N -0.138 120.152 120.570 -0.466 0.000 2.229 290 I HA -0.358 3.816 4.170 0.006 0.000 0.250 290 I C 2.408 177.995 176.117 -0.882 0.000 1.096 290 I CA 1.613 62.372 61.300 -0.902 0.000 1.358 290 I CB -0.615 36.782 38.000 -1.007 0.000 1.047 290 I HN 0.363 nan 8.210 nan 0.000 0.422 291 L N 0.640 121.450 121.223 -0.688 0.000 2.017 291 L HA -0.193 4.151 4.340 0.006 0.000 0.208 291 L C 2.646 179.291 176.870 -0.376 0.000 1.073 291 L CA 1.777 56.249 54.840 -0.613 0.000 0.745 291 L CB -0.644 41.014 42.059 -0.669 0.000 0.894 291 L HN 0.073 nan 8.230 nan 0.000 0.432 292 R N 0.017 120.319 120.500 -0.329 0.000 2.103 292 R HA -0.166 4.178 4.340 0.006 0.000 0.234 292 R C 2.345 178.550 176.300 -0.159 0.000 1.132 292 R CA 1.900 57.877 56.100 -0.204 0.000 0.925 292 R CB -0.812 29.390 30.300 -0.162 0.000 0.842 292 R HN 0.443 nan 8.270 nan 0.000 0.430 293 R N -0.544 119.805 120.500 -0.252 0.000 2.122 293 R HA -0.223 4.121 4.340 0.006 0.000 0.236 293 R C 2.373 178.701 176.300 0.046 0.000 1.129 293 R CA 2.034 58.069 56.100 -0.109 0.000 0.925 293 R CB -0.798 29.421 30.300 -0.135 0.000 0.850 293 R HN 0.244 nan 8.270 nan 0.000 0.431 294 Y N 0.909 121.098 120.300 -0.186 0.000 2.038 294 Y HA -0.345 4.209 4.550 0.006 0.000 0.266 294 Y C 2.530 178.380 175.900 -0.083 0.000 1.220 294 Y CA 1.433 59.449 58.100 -0.140 0.000 1.107 294 Y CB -1.231 37.143 38.460 -0.143 0.000 0.932 294 Y HN -0.117 nan 8.280 nan 0.000 0.500 295 V N -0.255 119.724 119.914 0.109 0.000 2.219 295 V HA -0.378 3.746 4.120 0.006 0.000 0.248 295 V C 2.260 178.405 176.094 0.085 0.000 1.053 295 V CA 2.514 64.861 62.300 0.078 0.000 1.009 295 V CB -0.901 30.937 31.823 0.026 0.000 0.636 295 V HN 0.265 nan 8.190 nan 0.000 0.445 296 K N 0.230 120.664 120.400 0.058 0.000 2.144 296 K HA -0.227 4.096 4.320 0.006 0.000 0.209 296 K C 2.114 178.765 176.600 0.085 0.000 1.047 296 K CA 1.788 58.113 56.287 0.062 0.000 0.927 296 K CB -0.516 32.009 32.500 0.042 0.000 0.716 296 K HN 0.553 nan 8.250 nan 0.000 0.454 297 A N -0.175 122.696 122.820 0.084 0.000 2.016 297 A HA 0.038 4.361 4.320 0.006 0.000 0.217 297 A C 1.542 179.246 177.584 0.200 0.000 1.162 297 A CA 0.861 52.965 52.037 0.110 0.000 0.662 297 A CB 0.045 19.068 19.000 0.038 0.000 0.812 297 A HN 0.202 nan 8.150 nan 0.000 0.450 298 L N -1.671 119.649 121.223 0.162 0.000 2.959 298 L HA 0.239 4.583 4.340 0.006 0.000 0.259 298 L C 2.013 179.095 176.870 0.354 0.000 1.185 298 L CA -0.167 54.840 54.840 0.277 0.000 0.998 298 L CB 0.049 42.071 42.059 -0.062 0.000 1.337 298 L HN 0.263 nan 8.230 nan 0.000 0.555 299 R N 0.564 121.202 120.500 0.230 0.000 2.062 299 R HA -0.093 4.250 4.340 0.006 0.000 0.229 299 R C 1.217 177.595 176.300 0.131 0.000 1.128 299 R CA 1.383 57.600 56.100 0.195 0.000 0.960 299 R CB -0.073 30.304 30.300 0.129 0.000 0.855 299 R HN 0.342 nan 8.270 nan 0.000 0.432 300 D N -0.106 120.293 120.400 -0.002 0.000 2.354 300 D HA -0.164 4.480 4.640 0.006 0.000 0.216 300 D C 0.756 176.898 176.300 -0.263 0.000 0.970 300 D CA 1.255 55.145 54.000 -0.184 0.000 0.905 300 D CB 0.043 40.640 40.800 -0.338 0.000 0.903 300 D HN 0.358 nan 8.370 nan 0.000 0.508 301 Y N -0.518 119.895 120.300 0.187 0.000 2.458 301 Y HA 0.311 4.865 4.550 0.007 0.000 0.256 301 Y C 1.920 177.936 175.900 0.193 0.000 1.159 301 Y CA 0.097 58.332 58.100 0.224 0.000 1.261 301 Y CB 0.805 39.414 38.460 0.247 0.000 1.119 301 Y HN 0.004 nan 8.280 nan 0.000 0.524 302 G N -1.413 107.531 108.800 0.239 0.000 2.176 302 G HA2 -0.268 3.696 3.960 0.006 0.000 0.232 302 G HA3 -0.268 3.696 3.960 0.006 0.000 0.232 302 G C -0.256 174.754 174.900 0.184 0.000 0.986 302 G CA -0.582 44.584 45.100 0.110 0.000 0.643 302 G HN 0.289 nan 8.290 nan 0.000 0.522 303 W N 0.481 121.961 121.300 0.300 0.000 2.335 303 W HA 0.638 5.301 4.660 0.005 0.000 0.306 303 W C 0.302 176.992 176.519 0.284 0.000 1.216 303 W CA -0.818 56.713 57.345 0.311 0.000 1.237 303 W CB 0.468 30.036 29.460 0.180 0.000 1.243 303 W HN 0.243 nan 8.180 nan 0.000 0.493 304 Y N 5.373 125.927 120.300 0.423 0.000 2.328 304 Y HA 0.621 5.174 4.550 0.005 0.000 0.337 304 Y C -0.820 175.254 175.900 0.291 0.000 0.966 304 Y CA -1.424 56.842 58.100 0.276 0.000 1.136 304 Y CB 0.495 39.065 38.460 0.183 0.000 1.170 304 Y HN 0.286 nan 8.280 nan 0.000 0.470 305 I N 6.003 126.351 120.570 -0.369 0.000 2.411 305 I HA 0.163 4.336 4.170 0.006 0.000 0.284 305 I C -0.038 175.741 176.117 -0.563 0.000 1.012 305 I CA -0.793 60.283 61.300 -0.374 0.000 1.119 305 I CB 1.576 39.517 38.000 -0.097 0.000 1.261 305 I HN 0.644 nan 8.210 nan 0.000 0.448 306 S N 8.259 123.588 115.700 -0.618 0.000 2.563 306 S HA 0.104 4.578 4.470 0.006 0.000 0.294 306 S C -0.990 173.581 174.600 -0.049 0.000 1.279 306 S CA -0.729 57.299 58.200 -0.286 0.000 1.069 306 S CB 0.673 63.839 63.200 -0.057 0.000 0.828 306 S HN 0.508 nan 8.310 nan 0.000 0.497 307 P HA 0.020 nan 4.420 nan 0.000 0.231 307 P C -0.273 177.107 177.300 0.132 0.000 1.168 307 P CA 0.365 63.472 63.100 0.013 0.000 0.779 307 P CB -0.098 31.605 31.700 0.005 0.000 0.844 308 E N 0.577 120.862 120.200 0.142 0.000 2.259 308 E HA 0.285 4.639 4.350 0.006 0.000 0.281 308 E C -0.352 176.298 176.600 0.083 0.000 1.027 308 E CA -0.817 55.652 56.400 0.115 0.000 0.838 308 E CB 0.371 30.110 29.700 0.065 0.000 1.066 308 E HN -0.060 nan 8.360 nan 0.000 0.401 309 E N 1.797 121.982 120.200 -0.025 0.000 2.409 309 E HA 0.092 4.446 4.350 0.006 0.000 0.257 309 E C -0.119 176.366 176.600 -0.191 0.000 1.150 309 E CA -0.164 56.036 56.400 -0.332 0.000 0.942 309 E CB 0.443 29.975 29.700 -0.280 0.000 0.979 309 E HN 0.438 nan 8.360 nan 0.000 0.447 310 E N 1.219 121.268 120.200 -0.251 0.000 2.277 310 E HA 0.268 4.622 4.350 0.006 0.000 0.274 310 E C -0.257 176.356 176.600 0.022 0.000 1.022 310 E CA -0.355 56.006 56.400 -0.066 0.000 0.853 310 E CB 1.098 30.707 29.700 -0.152 0.000 1.086 310 E HN 0.405 nan 8.360 nan 0.000 0.397 311 R N -0.136 120.460 120.500 0.160 0.000 2.803 311 R HA 0.750 5.093 4.340 0.006 0.000 0.276 311 R C -0.353 176.123 176.300 0.294 0.000 0.978 311 R CA -1.102 55.118 56.100 0.200 0.000 0.939 311 R CB 1.046 31.418 30.300 0.119 0.000 1.179 311 R HN 0.404 nan 8.270 nan 0.000 0.472 312 A N 1.894 124.898 122.820 0.307 0.000 2.587 312 A HA -0.010 4.314 4.320 0.006 0.000 0.235 312 A C 0.588 178.095 177.584 -0.129 0.000 1.044 312 A CA 0.122 52.271 52.037 0.186 0.000 0.754 312 A CB 0.156 19.151 19.000 -0.008 0.000 0.968 312 A HN 0.888 nan 8.150 nan 0.000 0.509 313 K N 1.462 121.662 120.400 -0.333 0.000 2.155 313 K HA 0.188 4.512 4.320 0.006 0.000 0.203 313 K C 0.999 177.248 176.600 -0.585 0.000 1.052 313 K CA 1.042 57.068 56.287 -0.435 0.000 0.948 313 K CB -0.013 32.213 32.500 -0.456 0.000 0.728 313 K HN 1.027 nan 8.250 nan 0.000 0.448 314 G N 0.429 108.659 108.800 -0.950 0.000 2.315 314 G HA2 0.113 4.077 3.960 0.006 0.000 0.294 314 G HA3 0.113 4.077 3.960 0.006 0.000 0.294 314 G C -1.959 172.434 174.900 -0.845 0.000 1.300 314 G CA -0.924 43.699 45.100 -0.796 0.000 0.843 314 G HN -0.032 nan 8.290 nan 0.000 0.527 315 K N -0.668 119.481 120.400 -0.418 0.000 2.098 315 K HA 0.729 5.053 4.320 0.006 0.000 0.258 315 K C -1.021 175.704 176.600 0.208 0.000 0.973 315 K CA -0.717 55.517 56.287 -0.089 0.000 0.898 315 K CB 1.440 33.929 32.500 -0.019 0.000 1.057 315 K HN 0.343 nan 8.250 nan 0.000 0.447 316 L N 3.020 124.451 121.223 0.347 0.000 2.325 316 L HA 0.380 4.724 4.340 0.006 0.000 0.278 316 L C -0.864 176.176 176.870 0.283 0.000 1.023 316 L CA -0.338 54.694 54.840 0.321 0.000 0.811 316 L CB 1.575 43.789 42.059 0.259 0.000 1.249 316 L HN 0.622 nan 8.230 nan 0.000 0.431 317 N N 3.746 122.555 118.700 0.181 0.000 2.434 317 N HA 0.442 5.186 4.740 0.006 0.000 0.272 317 N C -1.185 174.420 175.510 0.159 0.000 1.040 317 N CA -0.014 53.094 53.050 0.096 0.000 0.956 317 N CB 1.000 39.491 38.487 0.007 0.000 1.108 317 N HN 0.416 nan 8.380 nan 0.000 0.481 318 F N -0.547 119.390 119.950 -0.022 0.000 2.588 318 F HA 0.578 5.109 4.527 0.006 0.000 0.314 318 F C -0.080 175.692 175.800 -0.047 0.000 1.069 318 F CA -1.447 56.531 58.000 -0.036 0.000 0.931 318 F CB 0.711 39.685 39.000 -0.044 0.000 1.260 318 F HN -0.070 nan 8.300 nan 0.000 0.465 319 K N 2.160 122.606 120.400 0.076 0.000 2.363 319 K HA 0.170 4.494 4.320 0.006 0.000 0.289 319 K C -0.045 176.566 176.600 0.018 0.000 1.063 319 K CA 0.082 56.360 56.287 -0.016 0.000 0.967 319 K CB -0.080 32.431 32.500 0.019 0.000 0.987 319 K HN 0.718 nan 8.250 nan 0.000 0.473 320 D N 1.131 121.455 120.400 -0.127 0.000 2.623 320 D HA 0.027 4.670 4.640 0.006 0.000 0.252 320 D C -0.649 175.562 176.300 -0.148 0.000 1.294 320 D CA -0.405 53.540 54.000 -0.091 0.000 0.824 320 D CB 0.302 40.968 40.800 -0.224 0.000 1.070 320 D HN 0.129 nan 8.370 nan 0.000 0.487 321 T N 1.089 115.566 114.554 -0.128 0.000 2.767 321 T HA 0.446 4.800 4.350 0.006 0.000 0.288 321 T C 0.414 175.037 174.700 -0.128 0.000 0.963 321 T CA -0.525 61.482 62.100 -0.155 0.000 1.019 321 T CB 1.867 70.668 68.868 -0.110 0.000 0.923 321 T HN 0.168 nan 8.240 nan 0.000 0.468 322 V N 2.150 121.925 119.914 -0.232 0.000 3.096 322 V HA 0.965 5.089 4.120 0.006 0.000 0.319 322 V C -0.973 175.089 176.094 -0.054 0.000 1.103 322 V CA -1.255 60.962 62.300 -0.137 0.000 1.016 322 V CB 1.322 32.930 31.823 -0.358 0.000 1.090 322 V HN 0.696 nan 8.190 nan 0.000 0.449 323 L N -0.120 121.245 121.223 0.237 0.000 2.540 323 L HA 0.904 5.247 4.340 0.006 0.000 0.256 323 L C -0.686 176.513 176.870 0.548 0.000 1.001 323 L CA -0.692 54.376 54.840 0.379 0.000 0.843 323 L CB 0.924 43.134 42.059 0.252 0.000 1.436 323 L HN 0.854 nan 8.230 nan 0.000 0.410 324 D N 1.028 121.666 120.400 0.397 0.000 2.511 324 D HA 0.583 5.227 4.640 0.006 0.000 0.283 324 D C 0.953 177.052 176.300 -0.334 0.000 1.198 324 D CA 0.071 54.150 54.000 0.131 0.000 1.097 324 D CB 0.234 40.995 40.800 -0.065 0.000 1.160 324 D HN 0.809 nan 8.370 nan 0.000 0.589 325 A N -1.401 120.909 122.820 -0.849 0.000 2.238 325 A HA 0.019 4.343 4.320 0.006 0.000 0.208 325 A C 1.378 178.730 177.584 -0.387 0.000 1.177 325 A CA 0.516 51.915 52.037 -1.064 0.000 0.804 325 A CB -0.384 18.007 19.000 -1.015 0.000 0.823 325 A HN 0.284 nan 8.150 nan 0.000 0.482 326 K N -1.951 118.314 120.400 -0.225 0.000 2.402 326 K HA 0.257 4.581 4.320 0.006 0.000 0.203 326 K C 1.153 177.732 176.600 -0.035 0.000 1.077 326 K CA 0.755 56.977 56.287 -0.109 0.000 1.051 326 K CB 0.804 33.242 32.500 -0.105 0.000 0.907 326 K HN 0.619 nan 8.250 nan 0.000 0.554 327 G N 1.632 110.434 108.800 0.004 0.000 2.254 327 G HA2 -0.250 3.713 3.960 0.006 0.000 0.225 327 G HA3 -0.250 3.713 3.960 0.006 0.000 0.225 327 G C -0.104 174.850 174.900 0.090 0.000 1.003 327 G CA -0.357 44.779 45.100 0.060 0.000 0.622 327 G HN 0.201 nan 8.290 nan 0.000 0.507 328 K N 1.765 122.208 120.400 0.071 0.000 2.466 328 K HA 0.203 4.527 4.320 0.006 0.000 0.278 328 K C 0.442 177.221 176.600 0.298 0.000 1.048 328 K CA 1.082 57.441 56.287 0.120 0.000 1.088 328 K CB 0.047 32.563 32.500 0.027 0.000 0.884 328 K HN 0.765 nan 8.250 nan 0.000 0.478 329 N N -0.312 118.540 118.700 0.254 0.000 2.453 329 N HA 0.166 4.910 4.740 0.006 0.000 0.290 329 N C 0.348 175.895 175.510 0.061 0.000 1.250 329 N CA -0.912 52.256 53.050 0.196 0.000 0.815 329 N CB 0.997 39.526 38.487 0.069 0.000 1.381 329 N HN 0.289 nan 8.380 nan 0.000 0.510 330 T N -3.885 110.511 114.554 -0.263 0.000 3.148 330 T HA 0.025 4.379 4.350 0.006 0.000 0.253 330 T C 1.185 175.784 174.700 -0.168 0.000 1.134 330 T CA 0.403 62.308 62.100 -0.326 0.000 1.051 330 T CB -0.229 68.287 68.868 -0.586 0.000 0.959 330 T HN 0.627 nan 8.240 nan 0.000 0.525 331 K N 0.812 121.146 120.400 -0.110 0.000 2.155 331 K HA 0.011 4.335 4.320 0.006 0.000 0.203 331 K C 1.543 178.116 176.600 -0.046 0.000 1.052 331 K CA 0.783 57.022 56.287 -0.080 0.000 0.948 331 K CB -0.035 32.431 32.500 -0.056 0.000 0.728 331 K HN 0.291 nan 8.250 nan 0.000 0.448 332 V N 1.292 121.197 119.914 -0.015 0.000 2.693 332 V HA -0.002 4.122 4.120 0.006 0.000 0.223 332 V C 1.390 177.499 176.094 0.024 0.000 1.131 332 V CA 0.529 62.836 62.300 0.011 0.000 1.177 332 V CB -0.175 31.668 31.823 0.034 0.000 0.852 332 V HN 0.360 nan 8.190 nan 0.000 0.507 333 I N 2.367 122.981 120.570 0.074 0.000 2.624 333 I HA -0.023 4.151 4.170 0.006 0.000 0.307 333 I C 1.687 177.844 176.117 0.067 0.000 1.191 333 I CA 0.466 61.827 61.300 0.103 0.000 1.708 333 I CB 0.274 38.386 38.000 0.186 0.000 1.521 333 I HN 0.589 nan 8.210 nan 0.000 0.805 334 T N 2.394 116.954 114.554 0.010 0.000 2.788 334 T HA -0.211 4.143 4.350 0.006 0.000 0.268 334 T C 1.096 175.779 174.700 -0.029 0.000 1.044 334 T CA 1.025 63.103 62.100 -0.038 0.000 1.139 334 T CB -0.547 68.297 68.868 -0.040 0.000 0.867 334 T HN 0.763 nan 8.240 nan 0.000 0.454 335 N N 1.696 120.406 118.700 0.017 0.000 2.400 335 N HA 0.010 4.753 4.740 0.006 0.000 0.278 335 N C 1.143 176.692 175.510 0.065 0.000 1.247 335 N CA -0.525 52.541 53.050 0.028 0.000 0.970 335 N CB 0.203 38.713 38.487 0.039 0.000 1.312 335 N HN 0.106 nan 8.380 nan 0.000 0.488 336 L N 3.285 124.525 121.223 0.028 0.000 2.051 336 L HA -0.246 4.098 4.340 0.006 0.000 0.214 336 L C 2.379 179.358 176.870 0.182 0.000 1.076 336 L CA 1.743 56.619 54.840 0.060 0.000 0.758 336 L CB -1.034 41.006 42.059 -0.031 0.000 0.890 336 L HN 0.688 nan 8.230 nan 0.000 0.433 337 R N -0.196 120.386 120.500 0.136 0.000 2.096 337 R HA -0.210 4.134 4.340 0.006 0.000 0.235 337 R C 2.323 178.685 176.300 0.104 0.000 1.127 337 R CA 1.620 57.777 56.100 0.096 0.000 0.968 337 R CB -0.000 30.198 30.300 -0.169 0.000 0.861 337 R HN 0.253 nan 8.270 nan 0.000 0.440 338 K N -0.333 120.129 120.400 0.104 0.000 2.031 338 K HA -0.138 4.186 4.320 0.006 0.000 0.205 338 K C 1.737 178.421 176.600 0.140 0.000 1.049 338 K CA 1.155 57.506 56.287 0.105 0.000 0.939 338 K CB -0.290 32.264 32.500 0.090 0.000 0.717 338 K HN -0.010 nan 8.250 nan 0.000 0.438 339 F N 1.817 121.787 119.950 0.033 0.000 2.015 339 F HA -0.303 4.228 4.527 0.006 0.000 0.297 339 F C 1.644 177.493 175.800 0.081 0.000 1.141 339 F CA 1.943 59.961 58.000 0.031 0.000 1.192 339 F CB -0.601 38.388 39.000 -0.018 0.000 0.957 339 F HN -0.008 nan 8.300 nan 0.000 0.491 340 L N 0.002 121.373 121.223 0.247 0.000 2.089 340 L HA -0.307 4.037 4.340 0.006 0.000 0.213 340 L C 2.495 179.459 176.870 0.156 0.000 1.079 340 L CA 2.117 57.085 54.840 0.213 0.000 0.758 340 L CB -0.915 41.348 42.059 0.341 0.000 0.891 340 L HN 0.372 nan 8.230 nan 0.000 0.433 341 E N 0.276 120.570 120.200 0.158 0.000 2.204 341 E HA -0.171 4.183 4.350 0.006 0.000 0.194 341 E C 2.011 178.663 176.600 0.088 0.000 0.989 341 E CA 0.765 57.282 56.400 0.194 0.000 0.824 341 E CB 0.151 29.931 29.700 0.134 0.000 0.756 341 E HN 0.526 nan 8.360 nan 0.000 0.477 342 L N 0.704 121.897 121.223 -0.050 0.000 2.664 342 L HA 0.199 4.543 4.340 0.006 0.000 0.233 342 L C 1.040 177.760 176.870 -0.249 0.000 1.113 342 L CA -0.493 54.275 54.840 -0.120 0.000 0.896 342 L CB 0.283 42.276 42.059 -0.110 0.000 1.163 342 L HN 0.263 nan 8.230 nan 0.000 0.497 343 C N 0.849 119.922 119.300 -0.377 0.000 2.679 343 C HA 0.251 4.715 4.460 0.006 0.000 0.417 343 C C 0.817 175.662 174.990 -0.241 0.000 1.302 343 C CA -0.703 58.051 59.018 -0.439 0.000 1.973 343 C CB 0.078 27.571 27.740 -0.412 0.000 2.715 343 C HN 0.282 nan 8.230 nan 0.000 0.628 344 R N 4.084 124.447 120.500 -0.228 0.000 2.332 344 R HA 0.435 4.779 4.340 0.006 0.000 0.306 344 R C -2.401 173.761 176.300 -0.231 0.000 1.117 344 R CA -2.261 53.715 56.100 -0.206 0.000 1.108 344 R CB 0.683 30.861 30.300 -0.203 0.000 1.126 344 R HN 0.629 nan 8.270 nan 0.000 0.548 345 P HA -0.097 nan 4.420 nan 0.000 0.268 345 P C -0.198 177.021 177.300 -0.135 0.000 1.189 345 P CA 0.406 63.446 63.100 -0.101 0.000 0.771 345 P CB 0.340 31.983 31.700 -0.094 0.000 0.822 346 F N 1.147 121.069 119.950 -0.046 0.000 2.669 346 F HA 0.132 4.663 4.527 0.006 0.000 0.353 346 F C 0.985 176.754 175.800 -0.052 0.000 1.192 346 F CA -0.332 57.650 58.000 -0.030 0.000 1.317 346 F CB -0.490 38.504 39.000 -0.011 0.000 1.652 346 F HN 0.021 nan 8.300 nan 0.000 0.608 347 V N 1.498 121.436 119.914 0.040 0.000 2.788 347 V HA 0.023 4.147 4.120 0.006 0.000 0.307 347 V C 0.605 176.713 176.094 0.023 0.000 1.069 347 V CA 0.523 62.825 62.300 0.005 0.000 1.173 347 V CB 1.253 33.052 31.823 -0.039 0.000 0.925 347 V HN 0.755 nan 8.190 nan 0.000 0.492 348 K N 2.525 122.928 120.400 0.006 0.000 2.665 348 K HA 0.265 4.589 4.320 0.006 0.000 0.197 348 K C 0.203 176.798 176.600 -0.009 0.000 1.463 348 K CA -0.338 55.952 56.287 0.006 0.000 1.107 348 K CB 0.255 32.762 32.500 0.011 0.000 1.584 348 K HN 0.501 nan 8.250 nan 0.000 0.558 349 K N 2.885 123.274 120.400 -0.018 0.000 2.231 349 K HA 0.036 4.360 4.320 0.006 0.000 0.255 349 K C -0.317 176.266 176.600 -0.028 0.000 1.108 349 K CA -0.280 55.994 56.287 -0.021 0.000 0.997 349 K CB 0.212 32.698 32.500 -0.024 0.000 1.549 349 K HN 0.138 nan 8.250 nan 0.000 0.419 350 D N 1.064 121.449 120.400 -0.025 0.000 2.265 350 D HA -0.124 4.520 4.640 0.006 0.000 0.208 350 D C 0.010 176.291 176.300 -0.032 0.000 0.977 350 D CA 0.731 54.713 54.000 -0.030 0.000 0.871 350 D CB 0.021 40.806 40.800 -0.025 0.000 0.925 350 D HN 0.090 nan 8.370 nan 0.000 0.485 351 V N 0.441 120.339 119.914 -0.027 0.000 2.569 351 V HA 0.359 4.483 4.120 0.006 0.000 0.301 351 V C -0.598 175.481 176.094 -0.024 0.000 1.044 351 V CA -0.859 61.426 62.300 -0.025 0.000 0.874 351 V CB 1.883 33.695 31.823 -0.019 0.000 1.002 351 V HN 0.048 nan 8.190 nan 0.000 0.424 352 L N 3.943 125.151 121.223 -0.026 0.000 2.322 352 L HA 0.701 5.045 4.340 0.006 0.000 0.281 352 L C 0.363 177.221 176.870 -0.019 0.000 1.014 352 L CA -0.436 54.389 54.840 -0.025 0.000 0.815 352 L CB 2.281 44.321 42.059 -0.032 0.000 1.247 352 L HN 0.760 nan 8.230 nan 0.000 0.421 353 S N 2.130 117.820 115.700 -0.016 0.000 2.480 353 S HA 0.721 5.195 4.470 0.006 0.000 0.286 353 S C -0.523 174.070 174.600 -0.012 0.000 1.180 353 S CA -0.739 57.454 58.200 -0.011 0.000 1.075 353 S CB 2.009 65.204 63.200 -0.010 0.000 0.996 353 S HN 0.443 nan 8.310 nan 0.000 0.487 354 V N 1.874 121.784 119.914 -0.007 0.000 2.888 354 V HA 0.530 4.654 4.120 0.006 0.000 0.309 354 V C -1.203 174.894 176.094 0.004 0.000 1.114 354 V CA -0.637 61.659 62.300 -0.007 0.000 0.940 354 V CB 2.024 33.841 31.823 -0.010 0.000 1.021 354 V HN 1.049 nan 8.190 nan 0.000 0.426 355 E N 5.014 125.215 120.200 0.001 0.000 2.204 355 E HA 0.543 4.897 4.350 0.006 0.000 0.276 355 E C -1.070 175.544 176.600 0.023 0.000 0.974 355 E CA -0.646 55.762 56.400 0.014 0.000 0.815 355 E CB 2.094 31.798 29.700 0.006 0.000 1.119 355 E HN 0.626 nan 8.360 nan 0.000 0.393 356 I N 4.666 125.270 120.570 0.057 0.000 2.382 356 I HA 0.254 4.428 4.170 0.006 0.000 0.285 356 I C -0.577 175.611 176.117 0.119 0.000 1.007 356 I CA -0.726 60.636 61.300 0.103 0.000 1.142 356 I CB 0.856 38.965 38.000 0.181 0.000 1.289 356 I HN 0.252 nan 8.210 nan 0.000 0.453 357 I N 4.718 125.348 120.570 0.100 0.000 2.359 357 I HA 0.315 4.488 4.170 0.006 0.000 0.294 357 I C 0.288 176.524 176.117 0.198 0.000 0.987 357 I CA -0.355 61.010 61.300 0.110 0.000 1.225 357 I CB 1.471 39.506 38.000 0.059 0.000 1.366 357 I HN 0.424 nan 8.210 nan 0.000 0.466 358 S N 5.835 121.651 115.700 0.194 0.000 2.707 358 S HA 0.612 5.086 4.470 0.006 0.000 0.303 358 S C -0.908 173.779 174.600 0.144 0.000 1.132 358 S CA -0.424 57.915 58.200 0.232 0.000 1.046 358 S CB 1.028 64.339 63.200 0.185 0.000 1.004 358 S HN 0.291 nan 8.310 nan 0.000 0.483 359 V N 4.823 124.826 119.914 0.149 0.000 2.394 359 V HA 0.694 4.817 4.120 0.006 0.000 0.282 359 V C -0.341 175.802 176.094 0.081 0.000 1.031 359 V CA -0.282 62.088 62.300 0.117 0.000 0.881 359 V CB 1.512 33.420 31.823 0.142 0.000 0.982 359 V HN 0.940 nan 8.190 nan 0.000 0.451 360 S N 2.859 118.592 115.700 0.055 0.000 2.572 360 S HA 0.501 4.975 4.470 0.006 0.000 0.274 360 S C -0.489 174.108 174.600 -0.006 0.000 1.150 360 S CA -0.729 57.474 58.200 0.006 0.000 0.944 360 S CB 1.907 65.106 63.200 -0.001 0.000 1.071 360 S HN 0.845 nan 8.310 nan 0.000 0.479 361 V N 1.561 121.426 119.914 -0.081 0.000 2.811 361 V HA 0.646 4.769 4.120 0.006 0.000 0.302 361 V C -0.431 175.600 176.094 -0.105 0.000 1.063 361 V CA -0.096 62.082 62.300 -0.204 0.000 1.088 361 V CB -0.996 30.574 31.823 -0.422 0.000 0.982 361 V HN 0.927 nan 8.190 nan 0.000 0.485 362 Y N 0.470 120.800 120.300 0.049 0.000 2.501 362 Y HA -0.156 4.397 4.550 0.006 0.000 0.184 362 Y C 0.890 176.808 175.900 0.030 0.000 1.695 362 Y CA 0.470 58.592 58.100 0.035 0.000 1.423 362 Y CB -0.610 37.865 38.460 0.025 0.000 2.068 362 Y HN 0.816 nan 8.280 nan 0.000 0.253 363 K N 1.923 122.457 120.400 0.223 0.000 3.006 363 K HA 0.091 4.415 4.320 0.006 0.000 0.265 363 K C -0.302 176.361 176.600 0.104 0.000 1.279 363 K CA -0.117 56.244 56.287 0.123 0.000 1.229 363 K CB -0.685 31.870 32.500 0.092 0.000 1.555 363 K HN 0.449 nan 8.250 nan 0.000 0.300 364 K N 0.336 120.803 120.400 0.112 0.000 2.399 364 K HA 0.447 4.771 4.320 0.006 0.000 0.247 364 K C 0.164 176.805 176.600 0.068 0.000 1.036 364 K CA -0.815 55.526 56.287 0.090 0.000 0.977 364 K CB 0.195 32.751 32.500 0.094 0.000 1.272 364 K HN -0.007 nan 8.250 nan 0.000 0.501 365 L N -1.748 119.521 121.223 0.076 0.000 2.436 365 L HA 0.601 4.944 4.340 0.006 0.000 0.268 365 L C -1.605 175.304 176.870 0.066 0.000 0.974 365 L CA -0.998 53.889 54.840 0.079 0.000 0.826 365 L CB 0.943 43.069 42.059 0.112 0.000 1.291 365 L HN 0.701 nan 8.230 nan 0.000 0.406 366 E N 4.365 124.548 120.200 -0.027 0.000 2.121 366 E HA 0.294 4.648 4.350 0.006 0.000 0.255 366 E C 0.491 176.968 176.600 -0.206 0.000 0.906 366 E CA -0.498 55.776 56.400 -0.211 0.000 0.745 366 E CB 0.518 30.054 29.700 -0.274 0.000 1.155 366 E HN 0.718 nan 8.360 nan 0.000 0.424 367 W N 2.697 123.967 121.300 -0.051 0.000 2.518 367 W HA 0.051 4.715 4.660 0.006 0.000 0.273 367 W C 0.887 177.380 176.519 -0.043 0.000 1.247 367 W CA -0.146 57.175 57.345 -0.039 0.000 1.288 367 W CB -0.468 28.978 29.460 -0.023 0.000 1.107 367 W HN 0.319 nan 8.180 nan 0.000 0.586 368 R N 1.535 121.416 120.500 -1.031 0.000 2.103 368 R HA -0.144 4.200 4.340 0.006 0.000 0.242 368 R C 2.074 178.147 176.300 -0.379 0.000 1.142 368 R CA 1.813 57.399 56.100 -0.858 0.000 0.960 368 R CB -0.417 29.254 30.300 -1.049 0.000 0.858 368 R HN 0.298 nan 8.270 nan 0.000 0.439 369 K N 0.397 120.538 120.400 -0.431 0.000 2.001 369 K HA -0.108 4.216 4.320 0.006 0.000 0.208 369 K C 2.030 178.510 176.600 -0.199 0.000 1.048 369 K CA 1.078 57.066 56.287 -0.498 0.000 0.932 369 K CB -0.034 31.946 32.500 -0.866 0.000 0.715 369 K HN 0.123 nan 8.250 nan 0.000 0.437 370 E N 1.225 121.349 120.200 -0.126 0.000 2.070 370 E HA -0.217 4.136 4.350 0.006 0.000 0.197 370 E C 1.941 178.576 176.600 0.058 0.000 1.004 370 E CA 1.186 57.583 56.400 -0.005 0.000 0.805 370 E CB -0.142 29.582 29.700 0.039 0.000 0.744 370 E HN 0.321 nan 8.360 nan 0.000 0.451 371 E N 0.514 120.771 120.200 0.095 0.000 2.012 371 E HA -0.184 4.170 4.350 0.006 0.000 0.197 371 E C 1.998 178.691 176.600 0.154 0.000 1.007 371 E CA 0.726 57.214 56.400 0.146 0.000 0.816 371 E CB -0.710 29.112 29.700 0.204 0.000 0.762 371 E HN 0.216 nan 8.360 nan 0.000 0.451 372 F N 1.932 121.886 119.950 0.007 0.000 2.043 372 F HA -0.245 4.286 4.527 0.006 0.000 0.297 372 F C 2.304 178.162 175.800 0.096 0.000 1.121 372 F CA 1.123 59.153 58.000 0.050 0.000 1.199 372 F CB -0.542 38.497 39.000 0.064 0.000 0.968 372 F HN -0.021 nan 8.300 nan 0.000 0.478 373 L N 0.908 122.158 121.223 0.044 0.000 1.997 373 L HA -0.298 4.046 4.340 0.006 0.000 0.216 373 L C 2.379 179.211 176.870 -0.063 0.000 1.074 373 L CA 2.135 56.965 54.840 -0.018 0.000 0.763 373 L CB -1.295 40.819 42.059 0.093 0.000 0.890 373 L HN 0.279 nan 8.230 nan 0.000 0.434 374 K N -0.839 119.556 120.400 -0.008 0.000 2.057 374 K HA -0.234 4.090 4.320 0.006 0.000 0.207 374 K C 1.932 178.525 176.600 -0.011 0.000 1.049 374 K CA 1.497 57.787 56.287 0.004 0.000 0.931 374 K CB -0.052 32.468 32.500 0.033 0.000 0.714 374 K HN 0.181 nan 8.250 nan 0.000 0.440 375 E N 0.987 121.170 120.200 -0.029 0.000 2.106 375 E HA -0.137 4.216 4.350 0.006 0.000 0.192 375 E C 1.726 178.301 176.600 -0.043 0.000 0.984 375 E CA 0.539 56.927 56.400 -0.019 0.000 0.806 375 E CB -0.028 29.674 29.700 0.003 0.000 0.750 375 E HN 0.081 nan 8.360 nan 0.000 0.458 376 L N 0.334 121.427 121.223 -0.215 0.000 1.973 376 L HA -0.038 4.306 4.340 0.006 0.000 0.208 376 L C 2.086 178.939 176.870 -0.027 0.000 1.073 376 L CA 1.603 56.339 54.840 -0.174 0.000 0.746 376 L CB -0.707 41.088 42.059 -0.440 0.000 0.891 376 L HN 0.218 nan 8.230 nan 0.000 0.433 377 I N 0.088 120.625 120.570 -0.056 0.000 2.185 377 I HA -0.403 3.771 4.170 0.006 0.000 0.246 377 I C 2.226 178.341 176.117 -0.003 0.000 1.088 377 I CA 2.075 63.360 61.300 -0.025 0.000 1.347 377 I CB -0.493 37.498 38.000 -0.016 0.000 1.041 377 I HN 0.494 nan 8.210 nan 0.000 0.415 378 N N 0.537 119.252 118.700 0.025 0.000 2.216 378 N HA -0.199 4.545 4.740 0.006 0.000 0.183 378 N C 1.729 177.295 175.510 0.094 0.000 1.017 378 N CA 0.816 53.894 53.050 0.047 0.000 0.861 378 N CB -0.188 38.332 38.487 0.054 0.000 0.986 378 N HN 0.247 nan 8.380 nan 0.000 0.428 379 F N 0.132 120.058 119.950 -0.041 0.000 2.365 379 F HA 0.113 4.644 4.527 0.006 0.000 0.300 379 F C 1.459 177.241 175.800 -0.029 0.000 1.090 379 F CA 0.630 58.614 58.000 -0.028 0.000 1.408 379 F CB -0.078 38.907 39.000 -0.025 0.000 1.060 379 F HN 0.075 nan 8.300 nan 0.000 0.534 380 L N 0.013 121.129 121.223 -0.180 0.000 2.416 380 L HA 0.087 4.431 4.340 0.006 0.000 0.216 380 L C 2.336 179.099 176.870 -0.180 0.000 1.098 380 L CA 0.882 55.561 54.840 -0.269 0.000 0.840 380 L CB -0.659 41.312 42.059 -0.146 0.000 0.981 380 L HN 0.025 nan 8.230 nan 0.000 0.462 381 K N -0.407 119.932 120.400 -0.103 0.000 2.103 381 K HA -0.175 4.149 4.320 0.006 0.000 0.204 381 K C 1.867 178.419 176.600 -0.081 0.000 1.052 381 K CA 1.420 57.664 56.287 -0.070 0.000 0.945 381 K CB -0.103 32.378 32.500 -0.032 0.000 0.722 381 K HN 0.381 nan 8.250 nan 0.000 0.443 382 N N -0.121 118.526 118.700 -0.087 0.000 2.381 382 N HA -0.100 4.644 4.740 0.006 0.000 0.182 382 N C 1.016 176.446 175.510 -0.134 0.000 1.025 382 N CA 0.514 53.517 53.050 -0.078 0.000 0.888 382 N CB 0.256 38.730 38.487 -0.023 0.000 0.965 382 N HN 0.036 nan 8.380 nan 0.000 0.438 383 K N -0.187 120.088 120.400 -0.208 0.000 2.379 383 K HA 0.113 4.436 4.320 0.006 0.000 0.194 383 K C 0.804 177.315 176.600 -0.147 0.000 1.031 383 K CA 0.553 56.714 56.287 -0.212 0.000 1.037 383 K CB 0.627 32.946 32.500 -0.301 0.000 0.824 383 K HN 0.299 nan 8.250 nan 0.000 0.516 384 G N 1.634 110.362 108.800 -0.119 0.000 2.141 384 G HA2 -0.137 3.827 3.960 0.006 0.000 0.195 384 G HA3 -0.137 3.827 3.960 0.006 0.000 0.195 384 G C -0.244 174.608 174.900 -0.080 0.000 1.012 384 G CA -0.460 44.588 45.100 -0.087 0.000 0.696 384 G HN 0.107 nan 8.290 nan 0.000 0.508 385 I N 0.699 121.215 120.570 -0.090 0.000 2.439 385 I HA 0.322 4.496 4.170 0.006 0.000 0.283 385 I C 0.326 176.405 176.117 -0.063 0.000 1.023 385 I CA -1.152 60.102 61.300 -0.076 0.000 1.100 385 I CB 1.545 39.490 38.000 -0.092 0.000 1.238 385 I HN 0.198 nan 8.210 nan 0.000 0.445 386 K N 6.311 126.683 120.400 -0.046 0.000 2.292 386 K HA 0.196 4.519 4.320 0.006 0.000 0.290 386 K C -0.378 176.203 176.600 -0.032 0.000 1.083 386 K CA -0.511 55.755 56.287 -0.035 0.000 0.918 386 K CB 0.633 33.117 32.500 -0.026 0.000 1.089 386 K HN 0.410 nan 8.250 nan 0.000 0.473 387 L N 5.569 126.773 121.223 -0.031 0.000 2.466 387 L HA 0.193 4.537 4.340 0.006 0.000 0.248 387 L C -0.465 176.396 176.870 -0.015 0.000 1.240 387 L CA -0.240 54.584 54.840 -0.026 0.000 1.180 387 L CB -0.519 41.522 42.059 -0.030 0.000 1.413 387 L HN 0.426 nan 8.230 nan 0.000 0.406 388 K N 3.010 123.403 120.400 -0.012 0.000 2.402 388 K HA 0.114 4.438 4.320 0.006 0.000 0.279 388 K C -0.242 176.358 176.600 -0.000 0.000 1.082 388 K CA 0.349 56.633 56.287 -0.005 0.000 1.080 388 K CB -0.215 32.282 32.500 -0.006 0.000 0.899 388 K HN 0.530 nan 8.250 nan 0.000 0.469 389 I N 5.083 125.657 120.570 0.007 0.000 2.634 389 I HA -0.020 4.153 4.170 0.006 0.000 0.284 389 I C 1.012 177.137 176.117 0.013 0.000 1.124 389 I CA -0.118 61.191 61.300 0.015 0.000 1.417 389 I CB 0.962 38.978 38.000 0.026 0.000 1.396 389 I HN 0.657 nan 8.210 nan 0.000 0.571 390 K N 3.113 123.521 120.400 0.014 0.000 2.312 390 K HA 0.307 4.631 4.320 0.006 0.000 0.206 390 K C 0.322 176.932 176.600 0.017 0.000 1.121 390 K CA 0.251 56.545 56.287 0.012 0.000 0.923 390 K CB 0.480 32.983 32.500 0.006 0.000 1.162 390 K HN 0.754 nan 8.250 nan 0.000 0.478 391 G N 0.397 109.209 108.800 0.021 0.000 2.638 391 G HA2 0.495 4.459 3.960 0.006 0.000 0.302 391 G HA3 0.495 4.459 3.960 0.006 0.000 0.302 391 G C -1.624 173.299 174.900 0.039 0.000 1.365 391 G CA -0.457 44.659 45.100 0.026 0.000 0.987 391 G HN -0.051 nan 8.290 nan 0.000 0.495 392 K N 0.138 120.564 120.400 0.044 0.000 2.221 392 K HA 0.649 4.972 4.320 0.006 0.000 0.258 392 K C -0.857 175.776 176.600 0.055 0.000 0.944 392 K CA -0.661 55.662 56.287 0.059 0.000 0.823 392 K CB 1.700 34.234 32.500 0.057 0.000 1.113 392 K HN 0.427 nan 8.250 nan 0.000 0.431 393 S N 5.616 121.357 115.700 0.067 0.000 2.496 393 S HA 0.236 4.710 4.470 0.006 0.000 0.221 393 S C -1.369 173.274 174.600 0.072 0.000 1.260 393 S CA -0.855 57.382 58.200 0.061 0.000 1.181 393 S CB 0.333 63.566 63.200 0.055 0.000 1.136 393 S HN 0.576 nan 8.310 nan 0.000 0.467 394 L N 6.111 127.372 121.223 0.063 0.000 2.331 394 L HA 0.654 4.997 4.340 0.006 0.000 0.278 394 L C -0.909 175.997 176.870 0.060 0.000 1.106 394 L CA 0.188 55.066 54.840 0.064 0.000 0.824 394 L CB 0.477 42.566 42.059 0.050 0.000 1.142 394 L HN 0.658 nan 8.230 nan 0.000 0.443 395 I N 6.202 126.812 120.570 0.067 0.000 2.465 395 I HA 0.357 4.531 4.170 0.006 0.000 0.291 395 I C -0.831 175.321 176.117 0.059 0.000 1.014 395 I CA -0.629 60.709 61.300 0.063 0.000 1.093 395 I CB 1.780 39.824 38.000 0.073 0.000 1.267 395 I HN 0.510 nan 8.210 nan 0.000 0.431 396 L N 5.866 127.118 121.223 0.048 0.000 2.334 396 L HA 0.959 5.303 4.340 0.006 0.000 0.273 396 L C -0.176 176.713 176.870 0.032 0.000 1.013 396 L CA -0.475 54.390 54.840 0.042 0.000 0.816 396 L CB 1.836 43.922 42.059 0.044 0.000 1.278 396 L HN 0.758 nan 8.230 nan 0.000 0.431 397 A N 2.495 125.331 122.820 0.027 0.000 2.569 397 A HA 0.589 4.913 4.320 0.006 0.000 0.292 397 A C -1.550 176.056 177.584 0.036 0.000 1.032 397 A CA -0.482 51.555 52.037 -0.001 0.000 0.669 397 A CB 1.649 20.633 19.000 -0.026 0.000 1.290 397 A HN 0.545 nan 8.150 nan 0.000 0.422 398 Q N 0.537 120.304 119.800 -0.055 0.000 3.662 398 Q HA 0.575 4.919 4.340 0.006 0.000 0.237 398 Q C -0.290 175.613 176.000 -0.163 0.000 0.895 398 Q CA 0.944 56.763 55.803 0.027 0.000 0.767 398 Q CB 0.630 29.296 28.738 -0.119 0.000 1.469 398 Q HN 2.028 nan 8.270 nan 0.000 0.424 399 T N -0.001 114.175 114.554 -0.630 0.000 2.964 399 T HA 0.219 4.573 4.350 0.006 0.000 0.138 399 T C -1.080 173.187 174.700 -0.723 0.000 1.019 399 T CA 0.442 62.240 62.100 -0.503 0.000 0.732 399 T CB -0.224 68.504 68.868 -0.233 0.000 1.723 399 T HN 0.129 nan 8.240 nan 0.000 0.265 400 R N 0.780 121.004 120.500 -0.459 0.000 2.471 400 R HA 0.331 4.675 4.340 0.006 0.000 0.340 400 R C 0.961 177.125 176.300 -0.227 0.000 0.743 400 R CA 0.883 56.743 56.100 -0.399 0.000 0.989 400 R CB -0.036 30.098 30.300 -0.276 0.000 1.631 400 R HN 0.786 nan 8.270 nan 0.000 0.541 401 E N -0.504 119.567 120.200 -0.215 0.000 2.358 401 E HA -0.105 4.249 4.350 0.006 0.000 0.195 401 E C 0.252 176.790 176.600 -0.103 0.000 1.010 401 E CA 0.859 57.191 56.400 -0.115 0.000 0.856 401 E CB 0.233 29.877 29.700 -0.094 0.000 0.795 401 E HN 0.137 nan 8.360 nan 0.000 0.504 402 E N 2.032 122.131 120.200 -0.169 0.000 2.038 402 E HA -0.185 4.169 4.350 0.006 0.000 0.195 402 E C 2.144 178.714 176.600 -0.049 0.000 1.000 402 E CA 1.786 58.128 56.400 -0.098 0.000 0.803 402 E CB -0.472 29.148 29.700 -0.134 0.000 0.750 402 E HN 0.444 nan 8.360 nan 0.000 0.448 403 A N 0.999 123.733 122.820 -0.143 0.000 1.873 403 A HA -0.279 4.045 4.320 0.006 0.000 0.218 403 A C 2.115 179.682 177.584 -0.028 0.000 1.193 403 A CA 2.175 54.096 52.037 -0.194 0.000 0.629 403 A CB -0.541 18.379 19.000 -0.133 0.000 0.826 403 A HN 0.120 nan 8.150 nan 0.000 0.447 404 K N -0.325 120.060 120.400 -0.024 0.000 2.442 404 K HA -0.043 4.280 4.320 0.006 0.000 0.198 404 K C 1.630 178.247 176.600 0.029 0.000 1.042 404 K CA 1.628 57.920 56.287 0.009 0.000 0.958 404 K CB -0.084 32.412 32.500 -0.007 0.000 0.766 404 K HN 0.644 nan 8.250 nan 0.000 0.474 405 E N -1.236 118.983 120.200 0.031 0.000 2.465 405 E HA 0.081 4.435 4.350 0.006 0.000 0.209 405 E C 1.218 177.863 176.600 0.074 0.000 0.951 405 E CA 0.024 56.450 56.400 0.042 0.000 0.997 405 E CB 0.339 30.053 29.700 0.023 0.000 1.025 405 E HN 0.074 nan 8.360 nan 0.000 0.500 406 K N 0.223 120.693 120.400 0.116 0.000 2.334 406 K HA 0.087 4.411 4.320 0.006 0.000 0.195 406 K C 1.761 178.479 176.600 0.196 0.000 1.045 406 K CA -0.042 56.342 56.287 0.162 0.000 1.004 406 K CB 0.288 32.927 32.500 0.233 0.000 0.837 406 K HN 0.074 nan 8.250 nan 0.000 0.510 407 L N 1.453 122.816 121.223 0.233 0.000 2.661 407 L HA -0.154 4.190 4.340 0.006 0.000 0.236 407 L C 1.038 177.982 176.870 0.124 0.000 1.176 407 L CA 0.955 55.936 54.840 0.235 0.000 0.836 407 L CB 0.020 42.204 42.059 0.208 0.000 0.960 407 L HN 0.119 nan 8.230 nan 0.000 0.455 408 I N -1.582 119.046 120.570 0.096 0.000 3.341 408 I HA 0.113 4.287 4.170 0.006 0.000 0.243 408 I C -0.643 175.503 176.117 0.049 0.000 1.094 408 I CA 0.149 61.485 61.300 0.061 0.000 1.507 408 I CB -1.593 36.438 38.000 0.051 0.000 1.441 408 I HN -0.082 nan 8.210 nan 0.000 0.465 409 P HA -0.191 nan 4.420 nan 0.000 0.218 409 P C 1.867 179.183 177.300 0.027 0.000 1.154 409 P CA 1.525 64.649 63.100 0.041 0.000 0.872 409 P CB 0.004 31.735 31.700 0.052 0.000 0.790 410 V N 0.841 120.772 119.914 0.029 0.000 2.238 410 V HA -0.206 3.918 4.120 0.006 0.000 0.235 410 V C 2.231 178.320 176.094 -0.010 0.000 1.037 410 V CA 1.970 64.268 62.300 -0.003 0.000 0.991 410 V CB -1.563 30.246 31.823 -0.024 0.000 0.638 410 V HN 0.096 nan 8.190 nan 0.000 0.457 411 I N -0.126 120.442 120.570 -0.003 0.000 3.441 411 I HA -0.029 4.144 4.170 0.006 0.000 0.316 411 I C 0.998 177.116 176.117 0.001 0.000 1.214 411 I CA 0.872 62.168 61.300 -0.006 0.000 1.226 411 I CB -0.759 37.243 38.000 0.004 0.000 0.993 411 I HN 0.423 nan 8.210 nan 0.000 0.563 412 N N 2.051 120.754 118.700 0.005 0.000 3.117 412 N HA 0.056 4.800 4.740 0.006 0.000 0.332 412 N C 1.086 176.597 175.510 0.001 0.000 1.385 412 N CA -0.486 52.568 53.050 0.007 0.000 0.683 412 N CB 0.654 39.151 38.487 0.016 0.000 1.272 412 N HN 0.118 nan 8.380 nan 0.000 0.522 413 K N 0.368 120.771 120.400 0.005 0.000 2.385 413 K HA -0.094 4.230 4.320 0.006 0.000 0.202 413 K C 0.357 176.955 176.600 -0.003 0.000 1.044 413 K CA 0.843 57.132 56.287 0.003 0.000 0.933 413 K CB -0.263 32.242 32.500 0.007 0.000 0.744 413 K HN 0.431 nan 8.250 nan 0.000 0.479 414 I N 3.317 123.884 120.570 -0.006 0.000 2.577 414 I HA -0.034 4.140 4.170 0.006 0.000 0.299 414 I C -0.262 175.842 176.117 -0.021 0.000 1.157 414 I CA 0.916 62.207 61.300 -0.014 0.000 1.418 414 I CB -0.249 37.738 38.000 -0.020 0.000 1.467 414 I HN 0.069 nan 8.210 nan 0.000 0.624 415 K N 4.884 125.273 120.400 -0.019 0.000 2.579 415 K HA 0.224 4.548 4.320 0.006 0.000 0.250 415 K C -0.751 175.835 176.600 -0.023 0.000 0.952 415 K CA -0.926 55.347 56.287 -0.022 0.000 0.857 415 K CB 1.667 34.157 32.500 -0.016 0.000 1.123 415 K HN 0.412 nan 8.250 nan 0.000 0.433 416 D N 1.471 121.853 120.400 -0.031 0.000 7.273 416 D HA -0.195 4.449 4.640 0.006 0.000 0.120 416 D C -0.363 175.923 176.300 -0.022 0.000 0.934 416 D CA 1.131 55.113 54.000 -0.030 0.000 0.889 416 D CB 0.205 40.989 40.800 -0.028 0.000 1.517 416 D HN 0.241 nan 8.370 nan 0.000 0.854 417 V N 0.272 120.172 119.914 -0.024 0.000 3.087 417 V HA 0.512 4.636 4.120 0.006 0.000 0.311 417 V C 0.534 176.615 176.094 -0.022 0.000 1.333 417 V CA -0.667 61.621 62.300 -0.019 0.000 1.054 417 V CB 1.718 33.531 31.823 -0.018 0.000 1.123 417 V HN 0.265 nan 8.190 nan 0.000 0.473 418 D N -0.268 120.119 120.400 -0.022 0.000 2.327 418 D HA 0.431 5.074 4.640 0.006 0.000 0.205 418 D C 0.039 176.322 176.300 -0.029 0.000 0.989 418 D CA 0.954 54.940 54.000 -0.023 0.000 0.873 418 D CB 1.288 42.074 40.800 -0.024 0.000 0.955 418 D HN 0.427 nan 8.370 nan 0.000 0.515 419 L N -0.749 120.455 121.223 -0.032 0.000 2.869 419 L HA 0.398 4.742 4.340 0.006 0.000 0.265 419 L C -2.149 174.698 176.870 -0.039 0.000 1.011 419 L CA -0.710 54.106 54.840 -0.039 0.000 0.913 419 L CB 2.114 44.147 42.059 -0.042 0.000 1.490 419 L HN -0.308 nan 8.230 nan 0.000 0.410 420 V N 3.615 123.499 119.914 -0.050 0.000 2.577 420 V HA 0.551 4.675 4.120 0.006 0.000 0.303 420 V C -0.380 175.665 176.094 -0.081 0.000 1.042 420 V CA -0.356 61.912 62.300 -0.053 0.000 0.872 420 V CB 1.722 33.512 31.823 -0.054 0.000 0.998 420 V HN 0.599 nan 8.190 nan 0.000 0.423 421 I N 4.700 125.213 120.570 -0.094 0.000 2.359 421 I HA 0.564 4.738 4.170 0.006 0.000 0.294 421 I C -0.688 175.270 176.117 -0.266 0.000 0.987 421 I CA -0.796 60.389 61.300 -0.191 0.000 1.225 421 I CB 2.000 39.880 38.000 -0.200 0.000 1.366 421 I HN 0.259 nan 8.210 nan 0.000 0.466 422 V N 6.612 126.321 119.914 -0.341 0.000 2.540 422 V HA 0.381 4.504 4.120 0.006 0.000 0.302 422 V C -0.788 175.085 176.094 -0.369 0.000 1.035 422 V CA -0.551 61.593 62.300 -0.260 0.000 0.873 422 V CB 1.796 33.548 31.823 -0.117 0.000 0.992 422 V HN 0.363 nan 8.190 nan 0.000 0.428 423 F N 5.161 125.136 119.950 0.042 0.000 2.332 423 F HA 0.550 5.080 4.527 0.006 0.000 0.368 423 F C 0.142 175.957 175.800 0.025 0.000 1.110 423 F CA -0.374 57.642 58.000 0.027 0.000 1.087 423 F CB 0.921 39.930 39.000 0.015 0.000 1.235 423 F HN 0.163 nan 8.300 nan 0.000 0.470 424 L N 2.582 123.902 121.223 0.161 0.000 2.343 424 L HA 0.483 4.826 4.340 0.006 0.000 0.275 424 L C -0.096 176.813 176.870 0.064 0.000 1.056 424 L CA -0.781 54.132 54.840 0.123 0.000 0.804 424 L CB 1.954 44.093 42.059 0.132 0.000 1.203 424 L HN 0.480 nan 8.230 nan 0.000 0.440 425 E N 1.361 121.571 120.200 0.017 0.000 2.212 425 E HA 0.346 4.700 4.350 0.006 0.000 0.270 425 E C -1.319 175.161 176.600 -0.200 0.000 0.956 425 E CA -0.437 55.869 56.400 -0.156 0.000 0.825 425 E CB 1.483 31.009 29.700 -0.289 0.000 1.167 425 E HN 0.417 nan 8.360 nan 0.000 0.400 426 E N 1.682 121.698 120.200 -0.307 0.000 2.199 426 E HA 0.344 4.698 4.350 0.006 0.000 0.269 426 E C -1.274 175.116 176.600 -0.349 0.000 0.899 426 E CA -0.713 55.579 56.400 -0.181 0.000 0.772 426 E CB 1.299 30.951 29.700 -0.080 0.000 1.155 426 E HN 0.366 nan 8.360 nan 0.000 0.408 427 Y N 1.122 121.381 120.300 -0.068 0.000 2.509 427 Y HA 0.376 4.929 4.550 0.006 0.000 0.341 427 Y C -1.878 173.986 175.900 -0.060 0.000 1.038 427 Y CA -2.711 55.346 58.100 -0.071 0.000 1.089 427 Y CB 0.738 39.141 38.460 -0.095 0.000 1.241 427 Y HN 0.368 nan 8.280 nan 0.000 0.468 428 P HA 0.311 nan 4.420 nan 0.000 0.283 428 P C -0.663 176.662 177.300 0.040 0.000 1.412 428 P CA -0.236 62.892 63.100 0.046 0.000 0.912 428 P CB 1.825 33.543 31.700 0.029 0.000 1.132 429 K N 1.889 122.302 120.400 0.021 0.000 3.747 429 K HA 0.430 4.754 4.320 0.006 0.000 0.286 429 K C -1.125 175.470 176.600 -0.009 0.000 1.421 429 K CA -0.184 56.104 56.287 0.001 0.000 1.450 429 K CB 0.728 33.218 32.500 -0.017 0.000 2.881 429 K HN 0.037 nan 8.250 nan 0.000 0.779 430 V N 2.703 122.612 119.914 -0.007 0.000 3.019 430 V HA -0.110 4.014 4.120 0.006 0.000 0.437 430 V C -1.664 174.421 176.094 -0.015 0.000 0.682 430 V CA -0.007 62.286 62.300 -0.011 0.000 1.970 430 V CB -0.164 31.641 31.823 -0.031 0.000 2.457 430 V HN 0.774 nan 8.190 nan 0.000 0.489 431 D N 7.296 127.706 120.400 0.017 0.000 2.365 431 D HA 0.434 5.078 4.640 0.006 0.000 0.237 431 D C -0.864 175.418 176.300 -0.030 0.000 1.190 431 D CA -2.031 51.980 54.000 0.018 0.000 0.867 431 D CB 1.858 42.712 40.800 0.091 0.000 1.050 431 D HN 0.301 nan 8.370 nan 0.000 0.491 432 P HA -0.169 nan 4.420 nan 0.000 0.220 432 P C -0.110 176.843 177.300 -0.579 0.000 1.144 432 P CA 1.431 64.341 63.100 -0.317 0.000 0.808 432 P CB 0.096 31.609 31.700 -0.312 0.000 0.763 433 Y N -3.341 116.939 120.300 -0.033 0.000 2.619 433 Y HA 0.255 4.809 4.550 0.006 0.000 0.273 433 Y C 1.118 177.023 175.900 0.007 0.000 1.175 433 Y CA -0.416 57.681 58.100 -0.005 0.000 1.157 433 Y CB 0.228 38.693 38.460 0.008 0.000 1.329 433 Y HN -0.326 nan 8.280 nan 0.000 0.503 434 K N 1.935 122.433 120.400 0.162 0.000 2.110 434 K HA 0.430 4.754 4.320 0.006 0.000 0.263 434 K C -0.297 176.362 176.600 0.098 0.000 0.975 434 K CA -0.462 55.887 56.287 0.104 0.000 0.895 434 K CB 1.105 33.649 32.500 0.074 0.000 1.060 434 K HN 0.106 nan 8.250 nan 0.000 0.448 435 S N 4.315 120.072 115.700 0.096 0.000 2.411 435 S HA 0.343 4.817 4.470 0.006 0.000 0.294 435 S C -0.551 174.190 174.600 0.235 0.000 1.115 435 S CA -0.716 57.564 58.200 0.133 0.000 1.071 435 S CB -0.266 62.998 63.200 0.106 0.000 0.967 435 S HN 0.548 nan 8.310 nan 0.000 0.488 436 F N 4.676 124.652 119.950 0.042 0.000 2.561 436 F HA 0.651 5.182 4.527 0.006 0.000 0.313 436 F C -1.329 174.503 175.800 0.054 0.000 1.126 436 F CA -1.518 56.507 58.000 0.041 0.000 0.918 436 F CB 1.473 40.465 39.000 -0.013 0.000 1.199 436 F HN 0.722 nan 8.300 nan 0.000 0.444 437 L N 5.046 126.361 121.223 0.153 0.000 2.666 437 L HA 0.326 4.670 4.340 0.006 0.000 0.259 437 L C -0.497 176.413 176.870 0.068 0.000 0.919 437 L CA -1.011 53.814 54.840 -0.024 0.000 0.927 437 L CB 1.693 43.815 42.059 0.106 0.000 1.423 437 L HN 0.674 nan 8.230 nan 0.000 0.426 438 L N 0.649 121.853 121.223 -0.031 0.000 2.137 438 L HA -0.252 4.092 4.340 0.006 0.000 0.213 438 L C 2.139 179.164 176.870 0.258 0.000 1.085 438 L CA 2.207 57.133 54.840 0.143 0.000 0.760 438 L CB -0.508 41.615 42.059 0.107 0.000 0.893 438 L HN 0.807 nan 8.230 nan 0.000 0.434 439 Y N 1.288 121.663 120.300 0.125 0.000 2.034 439 Y HA -0.346 4.208 4.550 0.006 0.000 0.269 439 Y C 2.575 178.564 175.900 0.148 0.000 1.125 439 Y CA 2.082 60.251 58.100 0.114 0.000 1.097 439 Y CB -0.335 38.179 38.460 0.089 0.000 0.978 439 Y HN 0.194 nan 8.280 nan 0.000 0.480 440 D N -0.397 120.229 120.400 0.377 0.000 2.133 440 D HA -0.244 4.399 4.640 0.006 0.000 0.195 440 D C 2.055 178.497 176.300 0.238 0.000 0.997 440 D CA 1.688 55.860 54.000 0.287 0.000 0.840 440 D CB -0.754 40.227 40.800 0.302 0.000 0.947 440 D HN 0.348 nan 8.370 nan 0.000 0.452 441 F N 1.927 121.995 119.950 0.196 0.000 2.010 441 F HA -0.265 4.266 4.527 0.006 0.000 0.296 441 F C 2.395 178.252 175.800 0.096 0.000 1.146 441 F CA 1.192 59.320 58.000 0.212 0.000 1.181 441 F CB -0.782 38.447 39.000 0.381 0.000 0.965 441 F HN -0.222 nan 8.300 nan 0.000 0.480 442 V N 1.132 121.004 119.914 -0.071 0.000 2.231 442 V HA -0.410 3.714 4.120 0.006 0.000 0.250 442 V C 2.641 178.586 176.094 -0.247 0.000 1.058 442 V CA 2.398 64.569 62.300 -0.215 0.000 1.022 442 V CB -0.896 30.876 31.823 -0.084 0.000 0.640 442 V HN 0.284 nan 8.190 nan 0.000 0.445 443 K N -0.201 120.076 120.400 -0.206 0.000 2.015 443 K HA -0.230 4.093 4.320 0.006 0.000 0.216 443 K C 2.290 178.831 176.600 -0.098 0.000 1.052 443 K CA 1.929 58.116 56.287 -0.167 0.000 0.937 443 K CB -0.576 31.825 32.500 -0.165 0.000 0.719 443 K HN 0.381 nan 8.250 nan 0.000 0.446 444 R N 0.841 121.296 120.500 -0.076 0.000 2.091 444 R HA -0.123 4.221 4.340 0.006 0.000 0.238 444 R C 1.962 178.187 176.300 -0.126 0.000 1.136 444 R CA 1.312 57.380 56.100 -0.053 0.000 0.959 444 R CB 0.073 30.364 30.300 -0.015 0.000 0.856 444 R HN 0.152 nan 8.270 nan 0.000 0.437 445 E N 0.318 120.362 120.200 -0.261 0.000 2.204 445 E HA -0.155 4.199 4.350 0.006 0.000 0.194 445 E C 1.856 178.348 176.600 -0.179 0.000 0.989 445 E CA 0.880 57.114 56.400 -0.277 0.000 0.824 445 E CB 0.044 29.444 29.700 -0.500 0.000 0.756 445 E HN 0.414 nan 8.360 nan 0.000 0.477 446 L N -0.121 121.009 121.223 -0.155 0.000 2.477 446 L HA 0.059 4.403 4.340 0.006 0.000 0.220 446 L C 2.282 179.108 176.870 -0.074 0.000 1.106 446 L CA 0.041 54.814 54.840 -0.111 0.000 0.851 446 L CB -0.006 41.989 42.059 -0.107 0.000 0.994 446 L HN 0.059 nan 8.230 nan 0.000 0.462 447 L N -0.240 120.959 121.223 -0.041 0.000 2.072 447 L HA -0.181 4.163 4.340 0.006 0.000 0.205 447 L C 2.485 179.333 176.870 -0.036 0.000 1.079 447 L CA 1.386 56.247 54.840 0.034 0.000 0.752 447 L CB -0.223 41.879 42.059 0.072 0.000 0.906 447 L HN 0.217 nan 8.230 nan 0.000 0.436 448 K N -0.127 120.234 120.400 -0.065 0.000 2.097 448 K HA -0.194 4.130 4.320 0.006 0.000 0.206 448 K C 1.920 178.455 176.600 -0.109 0.000 1.049 448 K CA 1.107 57.345 56.287 -0.082 0.000 0.933 448 K CB -0.092 32.364 32.500 -0.073 0.000 0.717 448 K HN -0.032 nan 8.250 nan 0.000 0.442 449 K N 0.539 120.872 120.400 -0.112 0.000 2.504 449 K HA 0.129 4.453 4.320 0.006 0.000 0.195 449 K C 0.142 176.640 176.600 -0.169 0.000 1.036 449 K CA 0.229 56.446 56.287 -0.117 0.000 0.984 449 K CB -0.163 32.277 32.500 -0.099 0.000 0.788 449 K HN 0.112 nan 8.250 nan 0.000 0.488 450 M N 0.810 120.265 119.600 -0.242 0.000 2.303 450 M HA -0.255 4.229 4.480 0.006 0.000 0.189 450 M C -1.190 174.874 176.300 -0.394 0.000 0.688 450 M CA 0.829 55.823 55.300 -0.510 0.000 0.479 450 M CB -1.308 30.948 32.600 -0.573 0.000 1.094 450 M HN 0.026 nan 8.290 nan 0.000 0.907 451 I N 1.422 121.869 120.570 -0.206 0.000 2.498 451 I HA 0.475 4.649 4.170 0.006 0.000 0.290 451 I C -1.955 174.146 176.117 -0.027 0.000 1.032 451 I CA -2.075 59.162 61.300 -0.105 0.000 1.073 451 I CB 2.303 40.252 38.000 -0.084 0.000 1.251 451 I HN 0.004 nan 8.210 nan 0.000 0.426 452 P HA 0.109 nan 4.420 nan 0.000 0.271 452 P C -0.832 176.442 177.300 -0.043 0.000 1.216 452 P CA -0.079 63.021 63.100 0.000 0.000 0.771 452 P CB 1.011 32.699 31.700 -0.020 0.000 0.864 453 S N 1.685 117.349 115.700 -0.061 0.000 2.570 453 S HA 0.560 5.034 4.470 0.006 0.000 0.286 453 S C -0.892 173.653 174.600 -0.093 0.000 1.099 453 S CA -0.732 57.417 58.200 -0.085 0.000 0.913 453 S CB 2.096 65.233 63.200 -0.105 0.000 1.085 453 S HN 0.297 nan 8.310 nan 0.000 0.480 454 Q N 1.693 121.434 119.800 -0.099 0.000 2.347 454 Q HA 0.541 4.885 4.340 0.006 0.000 0.265 454 Q C -1.733 174.193 176.000 -0.123 0.000 1.024 454 Q CA -0.505 55.250 55.803 -0.079 0.000 0.731 454 Q CB 1.519 30.230 28.738 -0.045 0.000 1.245 454 Q HN 0.703 nan 8.270 nan 0.000 0.472 455 V N 6.126 125.975 119.914 -0.107 0.000 2.406 455 V HA 0.427 4.551 4.120 0.006 0.000 0.272 455 V C -0.030 176.073 176.094 0.015 0.000 1.043 455 V CA -0.253 61.987 62.300 -0.100 0.000 0.915 455 V CB 0.947 32.642 31.823 -0.214 0.000 0.988 455 V HN 0.721 nan 8.190 nan 0.000 0.466 456 I N 6.404 126.933 120.570 -0.068 0.000 2.382 456 I HA 0.362 4.535 4.170 0.006 0.000 0.285 456 I C -0.240 175.917 176.117 0.067 0.000 1.007 456 I CA -0.461 60.830 61.300 -0.014 0.000 1.142 456 I CB 1.441 39.383 38.000 -0.096 0.000 1.289 456 I HN 0.345 nan 8.210 nan 0.000 0.453 457 L N 6.122 127.388 121.223 0.072 0.000 2.410 457 L HA 0.187 4.531 4.340 0.006 0.000 0.273 457 L C 1.444 178.326 176.870 0.020 0.000 1.152 457 L CA -0.254 54.622 54.840 0.059 0.000 0.855 457 L CB 0.356 42.434 42.059 0.031 0.000 1.129 457 L HN 0.609 nan 8.230 nan 0.000 0.463 458 N N 2.334 121.045 118.700 0.018 0.000 2.289 458 N HA -0.170 4.573 4.740 0.006 0.000 0.184 458 N C 1.691 177.154 175.510 -0.079 0.000 1.016 458 N CA 0.893 53.920 53.050 -0.038 0.000 0.872 458 N CB -0.170 38.284 38.487 -0.055 0.000 0.973 458 N HN 0.520 nan 8.380 nan 0.000 0.433 459 R N 0.740 121.201 120.500 -0.066 0.000 2.096 459 R HA -0.048 4.295 4.340 0.006 0.000 0.235 459 R C 1.678 177.933 176.300 -0.075 0.000 1.127 459 R CA 1.468 57.526 56.100 -0.070 0.000 0.968 459 R CB -0.120 30.145 30.300 -0.059 0.000 0.861 459 R HN 0.048 nan 8.270 nan 0.000 0.440 460 T N 0.917 115.426 114.554 -0.075 0.000 2.857 460 T HA 0.002 4.356 4.350 0.006 0.000 0.266 460 T C 1.627 176.249 174.700 -0.131 0.000 1.048 460 T CA 0.957 63.003 62.100 -0.090 0.000 1.139 460 T CB 0.013 68.830 68.868 -0.084 0.000 0.874 460 T HN 0.177 nan 8.240 nan 0.000 0.455 461 L N 0.361 121.488 121.223 -0.161 0.000 2.201 461 L HA -0.011 4.333 4.340 0.006 0.000 0.212 461 L C 2.506 179.263 176.870 -0.189 0.000 1.105 461 L CA 1.171 55.880 54.840 -0.218 0.000 0.775 461 L CB -0.340 41.566 42.059 -0.255 0.000 0.913 461 L HN 0.218 nan 8.230 nan 0.000 0.440 462 K N -0.057 120.253 120.400 -0.152 0.000 2.116 462 K HA -0.026 4.297 4.320 0.006 0.000 0.203 462 K C 1.389 177.944 176.600 -0.075 0.000 1.052 462 K CA 1.224 57.440 56.287 -0.119 0.000 0.952 462 K CB 0.033 32.475 32.500 -0.097 0.000 0.729 462 K HN 0.463 nan 8.250 nan 0.000 0.446 463 N N -0.250 118.406 118.700 -0.074 0.000 2.348 463 N HA 0.006 4.750 4.740 0.006 0.000 0.183 463 N C 0.249 175.719 175.510 -0.066 0.000 1.094 463 N CA -0.142 52.873 53.050 -0.058 0.000 0.885 463 N CB 0.655 39.114 38.487 -0.048 0.000 1.065 463 N HN 0.017 nan 8.380 nan 0.000 0.472 464 E N 1.600 121.752 120.200 -0.080 0.000 2.869 464 E HA 0.166 4.520 4.350 0.006 0.000 0.258 464 E C -0.464 176.074 176.600 -0.104 0.000 1.354 464 E CA -0.007 56.343 56.400 -0.085 0.000 1.065 464 E CB 0.237 29.890 29.700 -0.077 0.000 1.215 464 E HN 0.097 nan 8.360 nan 0.000 0.659 465 N N 0.927 119.550 118.700 -0.128 0.000 2.462 465 N HA 0.121 4.865 4.740 0.006 0.000 0.242 465 N C 0.657 176.116 175.510 -0.085 0.000 1.010 465 N CA -0.163 52.782 53.050 -0.175 0.000 0.939 465 N CB 0.886 39.122 38.487 -0.419 0.000 1.127 465 N HN 0.306 nan 8.380 nan 0.000 0.509 466 L N 2.072 123.264 121.223 -0.051 0.000 2.270 466 L HA -0.246 4.098 4.340 0.006 0.000 0.217 466 L C 1.833 178.745 176.870 0.071 0.000 1.107 466 L CA 1.803 56.655 54.840 0.020 0.000 0.772 466 L CB 0.025 42.121 42.059 0.063 0.000 0.902 466 L HN 0.500 nan 8.230 nan 0.000 0.439 467 K N -1.614 118.806 120.400 0.033 0.000 2.098 467 K HA -0.038 4.286 4.320 0.006 0.000 0.203 467 K C 1.704 178.439 176.600 0.226 0.000 1.051 467 K CA 0.965 57.301 56.287 0.083 0.000 0.957 467 K CB -0.106 32.437 32.500 0.072 0.000 0.738 467 K HN 0.238 nan 8.250 nan 0.000 0.447 468 F N 0.106 119.998 119.950 -0.097 0.000 2.558 468 F HA -0.017 4.514 4.527 0.006 0.000 0.298 468 F C 1.796 177.501 175.800 -0.158 0.000 1.119 468 F CA 0.317 58.218 58.000 -0.165 0.000 1.451 468 F CB -0.219 38.660 39.000 -0.201 0.000 1.091 468 F HN -0.152 nan 8.300 nan 0.000 0.563 469 V N -0.820 119.160 119.914 0.111 0.000 2.426 469 V HA -0.151 3.972 4.120 0.006 0.000 0.242 469 V C 2.325 178.545 176.094 0.210 0.000 1.036 469 V CA 0.693 63.037 62.300 0.074 0.000 1.044 469 V CB -0.740 31.055 31.823 -0.048 0.000 0.688 469 V HN 0.187 nan 8.190 nan 0.000 0.462 470 L N 0.133 121.519 121.223 0.271 0.000 2.051 470 L HA -0.208 4.136 4.340 0.006 0.000 0.214 470 L C 2.172 179.141 176.870 0.165 0.000 1.076 470 L CA 2.060 57.074 54.840 0.290 0.000 0.758 470 L CB -0.568 41.492 42.059 0.002 0.000 0.890 470 L HN 0.213 nan 8.230 nan 0.000 0.433 471 L N -0.786 120.494 121.223 0.094 0.000 2.005 471 L HA -0.211 4.132 4.340 0.006 0.000 0.207 471 L C 2.486 179.569 176.870 0.354 0.000 1.072 471 L CA 1.585 56.552 54.840 0.211 0.000 0.744 471 L CB -0.940 41.211 42.059 0.153 0.000 0.895 471 L HN 0.431 nan 8.230 nan 0.000 0.433 472 N N 0.215 119.096 118.700 0.301 0.000 2.132 472 N HA -0.191 4.553 4.740 0.006 0.000 0.191 472 N C 1.606 177.318 175.510 0.337 0.000 1.015 472 N CA 1.781 55.068 53.050 0.395 0.000 0.864 472 N CB 0.120 38.710 38.487 0.172 0.000 1.006 472 N HN 0.126 nan 8.380 nan 0.000 0.430 473 V N 1.089 121.186 119.914 0.306 0.000 2.283 473 V HA -0.029 4.095 4.120 0.006 0.000 0.239 473 V C 2.563 178.803 176.094 0.242 0.000 1.035 473 V CA 1.410 63.877 62.300 0.278 0.000 1.018 473 V CB -1.233 30.821 31.823 0.384 0.000 0.658 473 V HN 0.342 nan 8.190 nan 0.000 0.459 474 A N 0.157 123.153 122.820 0.293 0.000 1.935 474 A HA -0.432 3.892 4.320 0.006 0.000 0.224 474 A C 2.240 179.925 177.584 0.167 0.000 1.324 474 A CA 2.948 55.145 52.037 0.267 0.000 0.686 474 A CB -0.880 18.447 19.000 0.545 0.000 0.837 474 A HN 0.701 nan 8.150 nan 0.000 0.481 475 E N -1.420 118.912 120.200 0.220 0.000 2.051 475 E HA -0.265 4.089 4.350 0.006 0.000 0.192 475 E C 2.226 178.869 176.600 0.071 0.000 0.991 475 E CA 1.362 57.855 56.400 0.156 0.000 0.799 475 E CB -0.176 29.664 29.700 0.232 0.000 0.748 475 E HN 0.643 nan 8.360 nan 0.000 0.449 476 Q N 0.338 120.204 119.800 0.110 0.000 1.993 476 Q HA -0.142 4.202 4.340 0.006 0.000 0.202 476 Q C 2.477 178.471 176.000 -0.010 0.000 0.984 476 Q CA 1.395 57.235 55.803 0.061 0.000 0.837 476 Q CB -0.654 28.140 28.738 0.093 0.000 0.902 476 Q HN 0.266 nan 8.270 nan 0.000 0.423 477 V N 1.642 121.563 119.914 0.012 0.000 2.231 477 V HA -0.296 3.828 4.120 0.006 0.000 0.248 477 V C 2.607 178.652 176.094 -0.081 0.000 1.054 477 V CA 1.727 64.011 62.300 -0.027 0.000 1.015 477 V CB -0.851 30.974 31.823 0.003 0.000 0.638 477 V HN 0.288 nan 8.190 nan 0.000 0.444 478 L N -0.243 120.927 121.223 -0.088 0.000 1.991 478 L HA -0.316 4.028 4.340 0.006 0.000 0.221 478 L C 2.738 179.474 176.870 -0.224 0.000 1.079 478 L CA 2.102 56.855 54.840 -0.145 0.000 0.778 478 L CB -0.908 41.061 42.059 -0.151 0.000 0.893 478 L HN 0.426 nan 8.230 nan 0.000 0.437 479 A N 0.036 122.658 122.820 -0.329 0.000 1.851 479 A HA -0.268 4.056 4.320 0.006 0.000 0.216 479 A C 2.211 179.620 177.584 -0.292 0.000 1.195 479 A CA 2.130 53.885 52.037 -0.470 0.000 0.622 479 A CB -0.589 18.047 19.000 -0.606 0.000 0.831 479 A HN 0.379 nan 8.150 nan 0.000 0.444 480 K N -0.547 119.720 120.400 -0.221 0.000 2.293 480 K HA -0.143 4.181 4.320 0.006 0.000 0.204 480 K C 1.336 177.840 176.600 -0.160 0.000 1.045 480 K CA 1.662 57.824 56.287 -0.208 0.000 0.933 480 K CB -0.408 32.002 32.500 -0.150 0.000 0.736 480 K HN 0.763 nan 8.250 nan 0.000 0.463 481 T N -3.590 110.881 114.554 -0.138 0.000 3.134 481 T HA 0.299 4.653 4.350 0.006 0.000 0.260 481 T C 0.981 175.629 174.700 -0.088 0.000 1.027 481 T CA 0.056 62.099 62.100 -0.094 0.000 0.913 481 T CB 0.854 69.676 68.868 -0.077 0.000 1.046 481 T HN 0.276 nan 8.240 nan 0.000 0.553 482 G N 2.145 110.876 108.800 -0.116 0.000 2.137 482 G HA2 -0.218 3.746 3.960 0.006 0.000 0.237 482 G HA3 -0.218 3.746 3.960 0.006 0.000 0.237 482 G C -0.040 174.810 174.900 -0.083 0.000 1.002 482 G CA -0.187 44.861 45.100 -0.088 0.000 0.702 482 G HN 0.573 nan 8.290 nan 0.000 0.515 483 N N 0.623 119.252 118.700 -0.118 0.000 2.757 483 N HA 0.235 4.979 4.740 0.006 0.000 0.296 483 N C 0.774 176.194 175.510 -0.150 0.000 1.874 483 N CA -0.180 52.815 53.050 -0.091 0.000 0.885 483 N CB 0.626 39.059 38.487 -0.089 0.000 1.242 483 N HN 0.800 nan 8.380 nan 0.000 0.488 484 I N -0.899 119.556 120.570 -0.192 0.000 2.752 484 I HA 0.155 4.328 4.170 0.006 0.000 0.289 484 I C -1.240 174.793 176.117 -0.140 0.000 1.197 484 I CA -0.977 60.094 61.300 -0.382 0.000 1.432 484 I CB 0.754 38.511 38.000 -0.404 0.000 1.359 484 I HN -0.026 nan 8.210 nan 0.000 0.571 485 P HA -0.031 nan 4.420 nan 0.000 0.229 485 P C -0.582 176.893 177.300 0.292 0.000 1.160 485 P CA 1.258 64.365 63.100 0.011 0.000 0.777 485 P CB -0.118 31.602 31.700 0.034 0.000 0.814 486 Y N -2.024 118.516 120.300 0.399 0.000 2.814 486 Y HA 0.629 5.183 4.550 0.006 0.000 0.348 486 Y C -1.283 174.894 175.900 0.462 0.000 1.245 486 Y CA -2.030 56.383 58.100 0.521 0.000 1.086 486 Y CB 0.402 39.178 38.460 0.527 0.000 1.373 486 Y HN -0.139 nan 8.280 nan 0.000 0.451 487 K N 1.164 121.954 120.400 0.650 0.000 2.548 487 K HA 0.661 4.984 4.320 0.006 0.000 0.282 487 K C -1.782 174.996 176.600 0.298 0.000 1.006 487 K CA -1.063 55.442 56.287 0.363 0.000 0.892 487 K CB 2.106 34.651 32.500 0.075 0.000 1.499 487 K HN 0.811 nan 8.250 nan 0.000 0.433 488 L N 2.197 123.517 121.223 0.161 0.000 2.485 488 L HA 0.113 4.457 4.340 0.006 0.000 0.275 488 L C 1.678 178.605 176.870 0.095 0.000 1.207 488 L CA -0.107 54.788 54.840 0.092 0.000 0.855 488 L CB 0.392 42.473 42.059 0.037 0.000 1.114 488 L HN 0.850 nan 8.230 nan 0.000 0.485 489 K N 1.918 122.359 120.400 0.067 0.000 2.155 489 K HA -0.042 4.282 4.320 0.006 0.000 0.203 489 K C 0.108 176.745 176.600 0.062 0.000 1.052 489 K CA 1.041 57.370 56.287 0.071 0.000 0.948 489 K CB 0.418 32.942 32.500 0.039 0.000 0.728 489 K HN 0.798 nan 8.250 nan 0.000 0.448 490 E N -0.783 119.447 120.200 0.049 0.000 2.398 490 E HA 0.196 4.550 4.350 0.006 0.000 0.280 490 E C -1.217 175.413 176.600 0.050 0.000 1.122 490 E CA -0.801 55.631 56.400 0.055 0.000 0.873 490 E CB 0.581 30.308 29.700 0.045 0.000 1.294 490 E HN 0.008 nan 8.360 nan 0.000 0.435 491 I N 0.290 120.902 120.570 0.071 0.000 2.689 491 I HA 0.315 4.488 4.170 0.006 0.000 0.299 491 I C -0.005 176.164 176.117 0.087 0.000 1.059 491 I CA -1.075 60.269 61.300 0.074 0.000 1.055 491 I CB 2.064 40.120 38.000 0.093 0.000 1.243 491 I HN 0.580 nan 8.210 nan 0.000 0.425 492 E N 3.594 123.839 120.200 0.075 0.000 2.493 492 E HA 0.337 4.691 4.350 0.006 0.000 0.255 492 E C 0.136 176.780 176.600 0.074 0.000 0.999 492 E CA 0.634 57.073 56.400 0.064 0.000 0.934 492 E CB 0.393 30.126 29.700 0.055 0.000 0.940 492 E HN 0.876 nan 8.360 nan 0.000 0.473 493 G N 3.574 112.406 108.800 0.053 0.000 2.675 493 G HA2 -0.181 3.783 3.960 0.006 0.000 0.686 493 G HA3 -0.181 3.783 3.960 0.006 0.000 0.686 493 G C -1.275 173.650 174.900 0.040 0.000 1.215 493 G CA -0.481 44.643 45.100 0.040 0.000 0.777 493 G HN 0.499 nan 8.290 nan 0.000 0.638 494 K N -0.148 120.260 120.400 0.013 0.000 2.250 494 K HA 0.682 5.006 4.320 0.006 0.000 0.285 494 K C -0.083 176.493 176.600 -0.041 0.000 1.097 494 K CA -0.794 55.494 56.287 0.001 0.000 0.913 494 K CB 1.525 34.026 32.500 0.001 0.000 1.179 494 K HN 0.711 nan 8.250 nan 0.000 0.462 495 V N 2.447 122.321 119.914 -0.067 0.000 2.735 495 V HA 0.211 4.334 4.120 0.006 0.000 0.310 495 V C 0.076 176.067 176.094 -0.171 0.000 1.061 495 V CA -0.738 61.431 62.300 -0.218 0.000 0.913 495 V CB 2.103 33.632 31.823 -0.491 0.000 1.005 495 V HN 0.771 nan 8.190 nan 0.000 0.428 496 D N 2.059 122.346 120.400 -0.189 0.000 2.355 496 D HA 0.385 5.028 4.640 0.006 0.000 0.206 496 D C 0.406 176.682 176.300 -0.040 0.000 1.010 496 D CA 1.007 54.995 54.000 -0.020 0.000 0.875 496 D CB 1.483 42.328 40.800 0.076 0.000 0.966 496 D HN 0.665 nan 8.370 nan 0.000 0.512 497 A N 0.110 122.687 122.820 -0.404 0.000 2.605 497 A HA 0.562 4.886 4.320 0.006 0.000 0.294 497 A C -1.964 175.206 177.584 -0.690 0.000 1.062 497 A CA -0.660 51.111 52.037 -0.443 0.000 0.682 497 A CB 0.772 19.298 19.000 -0.790 0.000 1.278 497 A HN -0.039 nan 8.150 nan 0.000 0.410 498 F N 1.068 120.923 119.950 -0.159 0.000 2.445 498 F HA 0.537 5.068 4.527 0.006 0.000 0.348 498 F C 0.034 175.740 175.800 -0.158 0.000 1.125 498 F CA -0.606 57.252 58.000 -0.237 0.000 0.983 498 F CB 2.216 41.053 39.000 -0.272 0.000 1.198 498 F HN 0.334 nan 8.300 nan 0.000 0.436 499 V N 2.353 122.181 119.914 -0.142 0.000 2.472 499 V HA 0.802 4.925 4.120 0.006 0.000 0.290 499 V C 0.271 176.331 176.094 -0.056 0.000 1.037 499 V CA -0.752 61.487 62.300 -0.101 0.000 0.908 499 V CB 1.606 33.304 31.823 -0.210 0.000 0.985 499 V HN 0.865 nan 8.190 nan 0.000 0.454 500 G N 4.634 113.457 108.800 0.037 0.000 2.644 500 G HA2 0.715 4.679 3.960 0.006 0.000 0.300 500 G HA3 0.715 4.679 3.960 0.006 0.000 0.300 500 G C -1.136 173.785 174.900 0.035 0.000 1.395 500 G CA -0.394 44.754 45.100 0.079 0.000 0.964 500 G HN 0.753 nan 8.290 nan 0.000 0.511 501 I N -0.581 120.035 120.570 0.075 0.000 2.785 501 I HA 0.867 5.041 4.170 0.006 0.000 0.302 501 I C -1.555 174.636 176.117 0.122 0.000 1.069 501 I CA -1.539 59.816 61.300 0.091 0.000 1.045 501 I CB 2.894 40.989 38.000 0.158 0.000 1.236 501 I HN 0.250 nan 8.210 nan 0.000 0.429 502 D N 4.749 125.229 120.400 0.132 0.000 2.855 502 D HA 0.505 5.149 4.640 0.006 0.000 0.241 502 D C -1.489 174.888 176.300 0.128 0.000 1.277 502 D CA -0.191 53.887 54.000 0.130 0.000 0.918 502 D CB 1.542 42.414 40.800 0.120 0.000 1.462 502 D HN 0.661 nan 8.370 nan 0.000 0.559 503 I N 2.450 123.082 120.570 0.103 0.000 2.355 503 I HA 0.329 4.502 4.170 0.006 0.000 0.288 503 I C -0.178 175.960 176.117 0.036 0.000 0.999 503 I CA -0.579 60.768 61.300 0.077 0.000 1.163 503 I CB 1.758 39.789 38.000 0.052 0.000 1.316 503 I HN 0.159 nan 8.210 nan 0.000 0.454 504 S N 6.473 122.195 115.700 0.038 0.000 2.519 504 S HA 0.561 5.035 4.470 0.006 0.000 0.309 504 S C -0.531 174.079 174.600 0.018 0.000 1.100 504 S CA -0.862 57.350 58.200 0.020 0.000 1.059 504 S CB 1.347 64.560 63.200 0.022 0.000 1.008 504 S HN 0.580 nan 8.310 nan 0.000 0.478 505 R N 2.142 122.645 120.500 0.005 0.000 2.437 505 R HA 0.575 4.918 4.340 0.006 0.000 0.310 505 R C -0.948 175.372 176.300 0.035 0.000 0.955 505 R CA -0.681 55.427 56.100 0.014 0.000 0.851 505 R CB 0.820 31.112 30.300 -0.014 0.000 1.161 505 R HN 0.478 nan 8.270 nan 0.000 0.446 506 I N 2.779 123.374 120.570 0.042 0.000 2.452 506 I HA 0.059 4.232 4.170 0.006 0.000 0.287 506 I C -0.119 176.032 176.117 0.057 0.000 1.079 506 I CA 0.322 61.658 61.300 0.060 0.000 1.387 506 I CB 1.243 39.273 38.000 0.050 0.000 1.404 506 I HN 0.631 nan 8.210 nan 0.000 0.522 507 T N 7.245 121.853 114.554 0.090 0.000 2.977 507 T HA 0.337 4.691 4.350 0.006 0.000 0.346 507 T C 0.131 174.818 174.700 -0.022 0.000 1.140 507 T CA -0.595 61.534 62.100 0.048 0.000 1.040 507 T CB 0.197 69.109 68.868 0.073 0.000 1.046 507 T HN 0.451 nan 8.240 nan 0.000 0.494 508 R N 3.425 123.893 120.500 -0.054 0.000 2.937 508 R HA 0.420 4.764 4.340 0.006 0.000 0.264 508 R C -0.693 175.522 176.300 -0.142 0.000 1.334 508 R CA -0.560 55.471 56.100 -0.114 0.000 1.516 508 R CB 0.088 30.361 30.300 -0.045 0.000 1.187 508 R HN 0.688 nan 8.270 nan 0.000 0.609 509 D N -0.341 119.929 120.400 -0.215 0.000 10.186 509 D HA -0.147 4.497 4.640 0.006 0.000 0.355 509 D C 0.847 177.085 176.300 -0.104 0.000 3.006 509 D CA 1.513 55.408 54.000 -0.174 0.000 2.406 509 D CB -0.419 40.291 40.800 -0.150 0.000 1.188 509 D HN 0.497 nan 8.370 nan 0.000 1.028 510 G N 0.189 108.941 108.800 -0.081 0.000 2.578 510 G HA2 -0.350 3.614 3.960 0.006 0.000 0.313 510 G HA3 -0.350 3.614 3.960 0.006 0.000 0.313 510 G C -0.000 174.879 174.900 -0.035 0.000 1.324 510 G CA 0.988 46.059 45.100 -0.048 0.000 0.955 510 G HN 0.783 nan 8.290 nan 0.000 0.541 511 K N 1.036 121.422 120.400 -0.022 0.000 2.423 511 K HA 0.516 4.840 4.320 0.006 0.000 0.234 511 K C 0.027 176.618 176.600 -0.015 0.000 1.051 511 K CA 0.497 56.774 56.287 -0.017 0.000 1.021 511 K CB -0.355 32.134 32.500 -0.017 0.000 1.474 511 K HN 1.099 nan 8.250 nan 0.000 0.474 512 T N -0.559 113.989 114.554 -0.011 0.000 0.541 512 T HA -0.190 4.163 4.350 0.006 0.000 0.774 512 T C 0.348 175.051 174.700 0.006 0.000 0.992 512 T CA 0.062 62.161 62.100 -0.002 0.000 4.077 512 T CB -0.608 68.257 68.868 -0.006 0.000 2.303 512 T HN 0.296 nan 8.240 nan 0.000 0.398 513 V N 0.414 120.340 119.914 0.020 0.000 5.564 513 V HA 0.326 4.450 4.120 0.006 0.000 0.110 513 V C -0.192 175.928 176.094 0.044 0.000 1.126 513 V CA 0.660 62.978 62.300 0.029 0.000 1.004 513 V CB 0.400 32.236 31.823 0.022 0.000 1.373 513 V HN 1.250 nan 8.190 nan 0.000 0.661 514 N N 0.731 119.458 118.700 0.044 0.000 2.831 514 N HA 0.806 5.549 4.740 0.006 0.000 0.276 514 N C -0.792 174.754 175.510 0.060 0.000 1.416 514 N CA 0.385 53.471 53.050 0.060 0.000 0.799 514 N CB 2.528 41.044 38.487 0.048 0.000 1.554 514 N HN 0.662 nan 8.380 nan 0.000 0.541 515 A N -0.760 122.108 122.820 0.080 0.000 2.557 515 A HA 0.727 5.051 4.320 0.006 0.000 0.292 515 A C -1.714 175.902 177.584 0.054 0.000 1.139 515 A CA -0.469 51.614 52.037 0.077 0.000 0.665 515 A CB 0.973 20.038 19.000 0.108 0.000 1.285 515 A HN 0.507 nan 8.150 nan 0.000 0.433 516 V N -0.853 119.089 119.914 0.046 0.000 2.971 516 V HA 0.843 4.967 4.120 0.006 0.000 0.309 516 V C -0.318 175.810 176.094 0.057 0.000 1.130 516 V CA 0.017 62.311 62.300 -0.010 0.000 0.964 516 V CB 1.892 33.694 31.823 -0.034 0.000 1.029 516 V HN 1.991 nan 8.190 nan 0.000 0.427 517 A N 3.047 125.900 122.820 0.056 0.000 2.408 517 A HA 0.856 5.180 4.320 0.006 0.000 0.295 517 A C -1.725 175.983 177.584 0.207 0.000 1.040 517 A CA -0.345 51.787 52.037 0.159 0.000 0.707 517 A CB 1.396 20.554 19.000 0.264 0.000 1.235 517 A HN 0.773 nan 8.150 nan 0.000 0.418 518 F N 1.977 121.935 119.950 0.013 0.000 2.458 518 F HA 0.750 5.280 4.527 0.006 0.000 0.336 518 F C -0.103 175.721 175.800 0.039 0.000 1.114 518 F CA -0.247 57.746 58.000 -0.012 0.000 0.987 518 F CB 2.133 41.076 39.000 -0.096 0.000 1.130 518 F HN 0.467 nan 8.300 nan 0.000 0.458 519 T N 5.882 120.255 114.554 -0.303 0.000 2.861 519 T HA 0.492 4.845 4.350 0.006 0.000 0.287 519 T C -1.126 173.323 174.700 -0.419 0.000 1.003 519 T CA -0.892 61.067 62.100 -0.234 0.000 0.977 519 T CB 1.592 70.465 68.868 0.007 0.000 0.996 519 T HN 0.433 nan 8.240 nan 0.000 0.448 520 K N 2.645 122.853 120.400 -0.321 0.000 2.471 520 K HA 0.617 4.941 4.320 0.006 0.000 0.252 520 K C -1.058 175.440 176.600 -0.170 0.000 0.938 520 K CA -0.613 55.498 56.287 -0.292 0.000 0.796 520 K CB 2.255 34.591 32.500 -0.274 0.000 1.161 520 K HN 0.480 nan 8.250 nan 0.000 0.425 521 I N 3.696 124.109 120.570 -0.261 0.000 2.406 521 I HA 0.409 4.583 4.170 0.006 0.000 0.290 521 I C -0.853 175.115 176.117 -0.248 0.000 0.999 521 I CA -0.772 60.432 61.300 -0.160 0.000 1.124 521 I CB 0.750 38.669 38.000 -0.135 0.000 1.289 521 I HN 0.377 nan 8.210 nan 0.000 0.441 522 F N 4.031 124.011 119.950 0.050 0.000 2.556 522 F HA 0.418 4.948 4.527 0.006 0.000 0.327 522 F C 0.521 176.417 175.800 0.161 0.000 1.059 522 F CA -0.798 57.272 58.000 0.117 0.000 0.953 522 F CB 1.124 40.196 39.000 0.120 0.000 1.227 522 F HN 0.496 nan 8.300 nan 0.000 0.478 523 N N -0.948 117.970 118.700 0.363 0.000 2.443 523 N HA 0.158 4.902 4.740 0.006 0.000 0.294 523 N C 0.740 176.461 175.510 0.350 0.000 1.289 523 N CA -0.028 53.212 53.050 0.316 0.000 0.966 523 N CB -0.297 38.320 38.487 0.217 0.000 1.122 523 N HN 0.473 nan 8.380 nan 0.000 0.569 524 S N -2.180 113.676 115.700 0.260 0.000 2.515 524 S HA 0.025 4.499 4.470 0.006 0.000 0.231 524 S C 0.826 175.575 174.600 0.248 0.000 0.987 524 S CA 0.437 58.807 58.200 0.283 0.000 0.936 524 S CB -0.284 63.011 63.200 0.158 0.000 0.766 524 S HN 0.473 nan 8.310 nan 0.000 0.528 525 K N 0.655 121.160 120.400 0.176 0.000 2.372 525 K HA 0.315 4.639 4.320 0.006 0.000 0.200 525 K C 1.253 177.907 176.600 0.090 0.000 1.022 525 K CA 0.503 56.855 56.287 0.109 0.000 1.125 525 K CB 0.176 32.715 32.500 0.065 0.000 0.855 525 K HN 0.524 nan 8.250 nan 0.000 0.524 526 G N 1.733 110.611 108.800 0.129 0.000 2.159 526 G HA2 -0.280 3.683 3.960 0.006 0.000 0.256 526 G HA3 -0.280 3.683 3.960 0.006 0.000 0.256 526 G C -0.220 174.842 174.900 0.270 0.000 0.977 526 G CA 0.012 45.166 45.100 0.089 0.000 0.652 526 G HN 0.398 nan 8.290 nan 0.000 0.531 527 E N -0.268 120.068 120.200 0.227 0.000 2.338 527 E HA 0.404 4.758 4.350 0.006 0.000 0.272 527 E C 0.354 177.096 176.600 0.238 0.000 1.029 527 E CA -0.721 55.791 56.400 0.188 0.000 0.872 527 E CB 1.244 30.955 29.700 0.019 0.000 1.015 527 E HN 0.277 nan 8.360 nan 0.000 0.417 528 L N 5.034 126.345 121.223 0.147 0.000 2.485 528 L HA -0.025 4.319 4.340 0.006 0.000 0.279 528 L C 0.452 177.246 176.870 -0.127 0.000 1.124 528 L CA 0.265 54.956 54.840 -0.249 0.000 0.888 528 L CB 0.665 42.609 42.059 -0.191 0.000 1.217 528 L HN 0.469 nan 8.230 nan 0.000 0.464 529 V N 3.836 123.679 119.914 -0.120 0.000 2.649 529 V HA 0.179 4.303 4.120 0.006 0.000 0.248 529 V C 0.929 176.994 176.094 -0.048 0.000 1.054 529 V CA 0.801 63.083 62.300 -0.031 0.000 1.073 529 V CB -0.841 31.017 31.823 0.060 0.000 0.699 529 V HN 0.877 nan 8.190 nan 0.000 0.463 530 R N -0.596 119.850 120.500 -0.089 0.000 2.833 530 R HA 0.394 4.738 4.340 0.006 0.000 0.259 530 R C -1.802 174.483 176.300 -0.025 0.000 1.047 530 R CA -0.666 55.395 56.100 -0.065 0.000 0.916 530 R CB 0.958 31.225 30.300 -0.055 0.000 1.259 530 R HN 0.243 nan 8.270 nan 0.000 0.482 531 Y N 0.932 121.244 120.300 0.019 0.000 2.562 531 Y HA 0.802 5.356 4.550 0.006 0.000 0.343 531 Y C -1.725 174.254 175.900 0.132 0.000 1.025 531 Y CA -1.475 56.608 58.100 -0.029 0.000 1.082 531 Y CB 1.641 40.135 38.460 0.056 0.000 1.264 531 Y HN 0.588 nan 8.280 nan 0.000 0.478 532 Y N 3.731 124.138 120.300 0.179 0.000 2.301 532 Y HA 0.547 5.100 4.550 0.006 0.000 0.325 532 Y C -2.287 173.799 175.900 0.310 0.000 1.103 532 Y CA -1.339 56.879 58.100 0.197 0.000 1.182 532 Y CB 1.359 39.854 38.460 0.057 0.000 1.139 532 Y HN 0.906 nan 8.280 nan 0.000 0.443 533 L N 5.931 127.232 121.223 0.130 0.000 2.287 533 L HA 0.854 5.198 4.340 0.006 0.000 0.287 533 L C -0.757 175.929 176.870 -0.307 0.000 1.022 533 L CA 0.159 55.102 54.840 0.171 0.000 0.814 533 L CB 1.607 43.845 42.059 0.299 0.000 1.217 533 L HN 0.686 nan 8.230 nan 0.000 0.420 534 T N 2.553 116.900 114.554 -0.344 0.000 2.885 534 T HA 0.666 5.019 4.350 0.006 0.000 0.322 534 T C -1.231 173.164 174.700 -0.508 0.000 1.387 534 T CA -0.238 61.569 62.100 -0.490 0.000 1.041 534 T CB 1.103 69.549 68.868 -0.703 0.000 1.287 534 T HN 0.756 nan 8.240 nan 0.000 0.491 535 S N 2.411 117.826 115.700 -0.474 0.000 2.549 535 S HA 0.741 5.214 4.470 0.006 0.000 0.297 535 S C -1.532 172.792 174.600 -0.459 0.000 1.115 535 S CA -0.704 57.274 58.200 -0.370 0.000 1.059 535 S CB 0.963 64.064 63.200 -0.165 0.000 1.046 535 S HN 0.626 nan 8.310 nan 0.000 0.506 536 Y N 0.844 121.157 120.300 0.022 0.000 2.686 536 Y HA 0.438 4.992 4.550 0.006 0.000 0.331 536 Y C -2.726 173.190 175.900 0.027 0.000 0.996 536 Y CA -2.405 55.713 58.100 0.030 0.000 1.293 536 Y CB 0.722 39.201 38.460 0.031 0.000 1.092 536 Y HN 0.492 nan 8.280 nan 0.000 0.524 537 P HA 0.360 nan 4.420 nan 0.000 0.271 537 P C -0.599 176.778 177.300 0.129 0.000 1.216 537 P CA 0.037 63.201 63.100 0.108 0.000 0.776 537 P CB 1.098 32.844 31.700 0.075 0.000 0.881 538 A N 2.221 125.108 122.820 0.112 0.000 2.515 538 A HA 0.586 4.910 4.320 0.006 0.000 0.296 538 A C -0.292 177.397 177.584 0.176 0.000 1.094 538 A CA -0.632 51.479 52.037 0.123 0.000 0.718 538 A CB 0.677 19.724 19.000 0.078 0.000 1.307 538 A HN 0.609 nan 8.150 nan 0.000 0.408 539 F N 1.470 121.427 119.950 0.011 0.000 2.293 539 F HA 0.477 5.008 4.527 0.006 0.000 0.272 539 F C 1.241 177.041 175.800 -0.001 0.000 1.053 539 F CA 0.425 58.427 58.000 0.004 0.000 1.152 539 F CB -0.179 38.824 39.000 0.004 0.000 1.119 539 F HN 0.711 nan 8.300 nan 0.000 0.564 540 G N 0.306 108.811 108.800 -0.491 0.000 2.522 540 G HA2 0.306 4.270 3.960 0.006 0.000 0.304 540 G HA3 0.306 4.270 3.960 0.006 0.000 0.304 540 G C -1.165 173.595 174.900 -0.232 0.000 1.210 540 G CA -0.564 44.191 45.100 -0.575 0.000 0.960 540 G HN 0.384 nan 8.290 nan 0.000 0.497 541 E N 0.367 120.455 120.200 -0.187 0.000 2.392 541 E HA 0.131 4.485 4.350 0.006 0.000 0.307 541 E C 0.607 177.139 176.600 -0.114 0.000 1.505 541 E CA -0.212 56.121 56.400 -0.113 0.000 1.716 541 E CB 0.409 30.060 29.700 -0.082 0.000 1.450 541 E HN 0.425 nan 8.360 nan 0.000 0.484 542 K N 1.533 121.856 120.400 -0.128 0.000 2.896 542 K HA 0.128 4.452 4.320 0.006 0.000 0.210 542 K C 0.398 176.919 176.600 -0.132 0.000 1.116 542 K CA -0.218 55.998 56.287 -0.120 0.000 1.050 542 K CB -0.166 32.260 32.500 -0.123 0.000 0.812 542 K HN 0.397 nan 8.250 nan 0.000 0.462 543 L N 0.521 121.667 121.223 -0.129 0.000 2.240 543 L HA -0.001 4.343 4.340 0.006 0.000 0.211 543 L C 1.517 178.258 176.870 -0.215 0.000 1.106 543 L CA 1.026 55.763 54.840 -0.171 0.000 0.793 543 L CB 0.041 42.048 42.059 -0.087 0.000 0.927 543 L HN 0.170 nan 8.230 nan 0.000 0.446 544 T N -0.588 113.869 114.554 -0.161 0.000 2.770 544 T HA -0.212 4.142 4.350 0.006 0.000 0.263 544 T C 1.639 176.198 174.700 -0.234 0.000 1.039 544 T CA 1.524 63.523 62.100 -0.170 0.000 1.142 544 T CB -0.067 68.728 68.868 -0.121 0.000 0.868 544 T HN 0.397 nan 8.240 nan 0.000 0.435 545 E N 0.830 120.912 120.200 -0.196 0.000 2.086 545 E HA -0.259 4.095 4.350 0.006 0.000 0.200 545 E C 2.214 178.635 176.600 -0.299 0.000 1.012 545 E CA 1.556 57.833 56.400 -0.205 0.000 0.812 545 E CB -0.044 29.607 29.700 -0.081 0.000 0.743 545 E HN 0.362 nan 8.360 nan 0.000 0.453 546 K N 0.004 120.241 120.400 -0.271 0.000 1.984 546 K HA -0.121 4.203 4.320 0.006 0.000 0.209 546 K C 2.078 178.448 176.600 -0.384 0.000 1.046 546 K CA 1.257 57.357 56.287 -0.311 0.000 0.934 546 K CB -0.299 31.984 32.500 -0.363 0.000 0.717 546 K HN 0.133 nan 8.250 nan 0.000 0.438 547 A N 1.239 123.765 122.820 -0.490 0.000 1.881 547 A HA -0.248 4.076 4.320 0.006 0.000 0.219 547 A C 2.104 179.601 177.584 -0.145 0.000 1.215 547 A CA 2.333 54.203 52.037 -0.279 0.000 0.648 547 A CB -0.971 17.952 19.000 -0.127 0.000 0.832 547 A HN 0.379 nan 8.150 nan 0.000 0.455 548 I N 0.249 120.652 120.570 -0.278 0.000 2.208 548 I HA -0.157 4.017 4.170 0.006 0.000 0.245 548 I C 2.662 178.587 176.117 -0.319 0.000 1.097 548 I CA 1.294 62.363 61.300 -0.384 0.000 1.363 548 I CB -1.099 36.479 38.000 -0.702 0.000 1.051 548 I HN 0.345 nan 8.210 nan 0.000 0.413 549 G N 0.317 108.824 108.800 -0.488 0.000 2.586 549 G HA2 -0.340 3.624 3.960 0.006 0.000 0.218 549 G HA3 -0.340 3.624 3.960 0.006 0.000 0.218 549 G C 1.326 176.180 174.900 -0.076 0.000 1.216 549 G CA 1.332 46.169 45.100 -0.439 0.000 0.786 549 G HN 0.337 nan 8.290 nan 0.000 0.583 550 D N -0.165 120.202 120.400 -0.055 0.000 2.254 550 D HA -0.112 4.532 4.640 0.006 0.000 0.201 550 D C 2.568 178.810 176.300 -0.096 0.000 0.998 550 D CA 0.849 54.826 54.000 -0.040 0.000 0.885 550 D CB -0.185 40.645 40.800 0.050 0.000 0.915 550 D HN 0.262 nan 8.370 nan 0.000 0.460 551 V N -0.258 119.622 119.914 -0.056 0.000 2.323 551 V HA -0.185 3.939 4.120 0.006 0.000 0.244 551 V C 1.901 177.891 176.094 -0.173 0.000 1.041 551 V CA 1.219 63.453 62.300 -0.111 0.000 1.025 551 V CB -0.539 31.224 31.823 -0.101 0.000 0.656 551 V HN 0.123 nan 8.190 nan 0.000 0.451 552 F N 0.561 120.388 119.950 -0.206 0.000 2.171 552 F HA -0.170 4.361 4.527 0.006 0.000 0.300 552 F C 2.863 178.436 175.800 -0.378 0.000 1.090 552 F CA 1.761 59.546 58.000 -0.358 0.000 1.293 552 F CB -0.741 37.900 39.000 -0.597 0.000 1.013 552 F HN 0.113 nan 8.300 nan 0.000 0.486 553 S N 0.272 115.974 115.700 0.004 0.000 2.374 553 S HA -0.213 4.261 4.470 0.006 0.000 0.227 553 S C 2.070 176.687 174.600 0.028 0.000 1.037 553 S CA 1.353 59.605 58.200 0.087 0.000 1.024 553 S CB -0.543 62.709 63.200 0.086 0.000 0.861 553 S HN 0.270 nan 8.310 nan 0.000 0.456 554 L N 1.075 122.261 121.223 -0.062 0.000 2.217 554 L HA 0.288 4.632 4.340 0.006 0.000 0.211 554 L C 2.007 178.870 176.870 -0.012 0.000 1.107 554 L CA 1.360 56.153 54.840 -0.079 0.000 0.783 554 L CB -0.705 41.247 42.059 -0.178 0.000 0.919 554 L HN 0.388 nan 8.230 nan 0.000 0.442 555 L N -0.519 120.680 121.223 -0.039 0.000 2.217 555 L HA -0.149 4.195 4.340 0.006 0.000 0.211 555 L C 2.505 179.532 176.870 0.262 0.000 1.107 555 L CA 1.373 56.219 54.840 0.011 0.000 0.783 555 L CB -0.262 41.637 42.059 -0.267 0.000 0.919 555 L HN 0.487 nan 8.230 nan 0.000 0.442 556 E N 0.040 120.385 120.200 0.242 0.000 2.140 556 E HA -0.234 4.120 4.350 0.006 0.000 0.191 556 E C 1.988 178.703 176.600 0.192 0.000 0.973 556 E CA 0.458 57.041 56.400 0.304 0.000 0.829 556 E CB -0.241 29.681 29.700 0.369 0.000 0.781 556 E HN 0.255 nan 8.360 nan 0.000 0.466 557 K N 0.692 121.174 120.400 0.136 0.000 2.574 557 K HA 0.010 4.334 4.320 0.006 0.000 0.193 557 K C 1.516 178.154 176.600 0.064 0.000 1.035 557 K CA 0.300 56.636 56.287 0.081 0.000 0.982 557 K CB 0.148 32.676 32.500 0.047 0.000 0.795 557 K HN 0.265 nan 8.250 nan 0.000 0.491 558 L N -1.520 119.765 121.223 0.104 0.000 2.537 558 L HA 0.207 4.551 4.340 0.006 0.000 0.224 558 L C 0.954 177.799 176.870 -0.041 0.000 1.065 558 L CA 0.642 55.527 54.840 0.074 0.000 0.860 558 L CB 0.768 42.950 42.059 0.204 0.000 1.086 558 L HN 0.476 nan 8.230 nan 0.000 0.482 559 G N -0.482 108.314 108.800 -0.007 0.000 2.155 559 G HA2 -0.170 3.794 3.960 0.006 0.000 0.130 559 G HA3 -0.170 3.794 3.960 0.006 0.000 0.130 559 G C -0.300 174.468 174.900 -0.220 0.000 1.027 559 G CA -0.742 44.269 45.100 -0.149 0.000 0.705 559 G HN 0.043 nan 8.290 nan 0.000 0.496 560 F N 2.516 122.511 119.950 0.075 0.000 2.415 560 F HA 0.653 5.183 4.527 0.006 0.000 0.348 560 F C 0.790 176.763 175.800 0.287 0.000 1.119 560 F CA -0.726 57.333 58.000 0.098 0.000 1.069 560 F CB 1.511 40.478 39.000 -0.055 0.000 1.124 560 F HN 0.066 nan 8.300 nan 0.000 0.472 561 K N 2.167 122.818 120.400 0.418 0.000 2.316 561 K HA 0.429 4.753 4.320 0.006 0.000 0.234 561 K C -0.653 176.161 176.600 0.357 0.000 1.054 561 K CA -1.206 55.295 56.287 0.356 0.000 0.879 561 K CB 0.963 33.572 32.500 0.182 0.000 1.252 561 K HN 0.494 nan 8.250 nan 0.000 0.471 562 K N -0.363 120.146 120.400 0.181 0.000 2.600 562 K HA -0.089 4.235 4.320 0.006 0.000 0.280 562 K C 0.691 177.398 176.600 0.178 0.000 0.971 562 K CA 2.048 58.414 56.287 0.131 0.000 1.053 562 K CB -0.482 32.050 32.500 0.053 0.000 0.856 562 K HN 0.871 nan 8.250 nan 0.000 0.495 563 G N 1.789 110.703 108.800 0.189 0.000 2.213 563 G HA2 -0.240 3.724 3.960 0.006 0.000 0.236 563 G HA3 -0.240 3.724 3.960 0.006 0.000 0.236 563 G C -0.156 174.846 174.900 0.171 0.000 0.991 563 G CA 0.165 45.356 45.100 0.152 0.000 0.629 563 G HN 0.647 nan 8.290 nan 0.000 0.517 564 S N 0.547 116.406 115.700 0.265 0.000 2.564 564 S HA 0.499 4.972 4.470 0.006 0.000 0.278 564 S C 0.241 174.875 174.600 0.058 0.000 1.333 564 S CA 0.185 58.484 58.200 0.166 0.000 1.048 564 S CB 1.631 64.924 63.200 0.155 0.000 0.900 564 S HN 0.528 nan 8.310 nan 0.000 0.505 565 K N 3.040 123.413 120.400 -0.044 0.000 2.234 565 K HA 0.417 4.740 4.320 0.006 0.000 0.277 565 K C -1.150 175.294 176.600 -0.261 0.000 1.038 565 K CA -0.266 55.955 56.287 -0.109 0.000 0.888 565 K CB 0.229 32.667 32.500 -0.103 0.000 1.091 565 K HN 0.341 nan 8.250 nan 0.000 0.467 566 I N 5.431 125.834 120.570 -0.278 0.000 2.436 566 I HA 0.311 4.485 4.170 0.006 0.000 0.289 566 I C -0.725 175.184 176.117 -0.346 0.000 1.010 566 I CA -1.009 60.043 61.300 -0.413 0.000 1.098 566 I CB 1.606 39.325 38.000 -0.467 0.000 1.266 566 I HN 0.277 nan 8.210 nan 0.000 0.434 567 V N 6.881 126.527 119.914 -0.446 0.000 2.398 567 V HA 0.498 4.621 4.120 0.006 0.000 0.286 567 V C 0.174 176.092 176.094 -0.292 0.000 1.026 567 V CA -0.712 61.403 62.300 -0.307 0.000 0.868 567 V CB 2.093 33.737 31.823 -0.298 0.000 0.982 567 V HN 0.438 nan 8.190 nan 0.000 0.443 568 V N 4.256 124.048 119.914 -0.203 0.000 2.547 568 V HA 0.464 4.587 4.120 0.006 0.000 0.299 568 V C -0.410 175.714 176.094 0.049 0.000 1.040 568 V CA -0.645 61.529 62.300 -0.210 0.000 0.913 568 V CB 1.656 33.215 31.823 -0.441 0.000 0.992 568 V HN 0.898 nan 8.190 nan 0.000 0.449 569 H N 3.648 122.671 119.070 -0.078 0.000 2.792 569 H HA 0.375 4.935 4.556 0.006 0.000 0.298 569 H C -0.282 175.036 175.328 -0.018 0.000 1.042 569 H CA -0.954 55.072 56.048 -0.036 0.000 1.300 569 H CB 1.168 30.926 29.762 -0.006 0.000 1.431 569 H HN 0.322 nan 8.280 nan 0.000 0.496 570 R N 2.538 123.089 120.500 0.086 0.000 2.298 570 R HA -0.018 4.326 4.340 0.006 0.000 0.310 570 R C 0.493 176.841 176.300 0.080 0.000 1.068 570 R CA 0.118 56.273 56.100 0.091 0.000 0.957 570 R CB 0.674 31.030 30.300 0.093 0.000 1.003 570 R HN 0.778 nan 8.270 nan 0.000 0.454 571 D N 2.981 123.437 120.400 0.094 0.000 2.143 571 D HA -0.137 4.507 4.640 0.006 0.000 0.230 571 D C 1.218 177.554 176.300 0.061 0.000 1.058 571 D CA 2.222 56.264 54.000 0.071 0.000 0.947 571 D CB -0.353 40.493 40.800 0.077 0.000 1.269 571 D HN 0.564 nan 8.370 nan 0.000 0.498 572 G N -0.487 108.364 108.800 0.086 0.000 2.572 572 G HA2 0.034 3.998 3.960 0.006 0.000 0.144 572 G HA3 0.034 3.998 3.960 0.006 0.000 0.144 572 G C 0.160 175.104 174.900 0.074 0.000 1.747 572 G CA -0.105 45.044 45.100 0.083 0.000 1.007 572 G HN 0.241 nan 8.290 nan 0.000 0.452 573 R N -0.536 120.014 120.500 0.082 0.000 2.428 573 R HA 0.387 4.731 4.340 0.006 0.000 0.294 573 R C -0.358 175.969 176.300 0.045 0.000 1.000 573 R CA -0.611 55.480 56.100 -0.014 0.000 0.960 573 R CB 1.301 31.506 30.300 -0.158 0.000 1.076 573 R HN 0.303 nan 8.270 nan 0.000 0.475 574 L N 3.454 124.694 121.223 0.028 0.000 2.380 574 L HA 0.206 4.550 4.340 0.006 0.000 0.273 574 L C -0.647 176.256 176.870 0.056 0.000 1.138 574 L CA -0.223 54.705 54.840 0.145 0.000 0.832 574 L CB 0.356 42.479 42.059 0.106 0.000 1.124 574 L HN 0.400 nan 8.230 nan 0.000 0.454 575 Y N 2.888 123.234 120.300 0.076 0.000 2.342 575 Y HA 0.227 4.781 4.550 0.006 0.000 0.334 575 Y C 1.212 177.149 175.900 0.062 0.000 1.067 575 Y CA -1.001 57.135 58.100 0.059 0.000 1.128 575 Y CB 1.134 39.625 38.460 0.052 0.000 1.200 575 Y HN 0.536 nan 8.280 nan 0.000 0.464 576 R N 0.390 120.981 120.500 0.151 0.000 2.165 576 R HA -0.272 4.072 4.340 0.006 0.000 0.254 576 R C 0.771 177.138 176.300 0.112 0.000 1.153 576 R CA 2.327 58.489 56.100 0.104 0.000 0.971 576 R CB -0.703 29.639 30.300 0.071 0.000 0.878 576 R HN 0.738 nan 8.270 nan 0.000 0.449 577 D N 0.941 121.417 120.400 0.127 0.000 2.144 577 D HA -0.173 4.470 4.640 0.006 0.000 0.200 577 D C 1.530 177.876 176.300 0.077 0.000 0.978 577 D CA 1.357 55.406 54.000 0.080 0.000 0.833 577 D CB -0.410 40.422 40.800 0.054 0.000 0.961 577 D HN 0.572 nan 8.370 nan 0.000 0.470 578 E N 0.642 120.922 120.200 0.132 0.000 2.072 578 E HA -0.084 4.270 4.350 0.006 0.000 0.191 578 E C 2.492 179.247 176.600 0.259 0.000 0.985 578 E CA 0.730 57.217 56.400 0.145 0.000 0.801 578 E CB 0.014 29.864 29.700 0.250 0.000 0.750 578 E HN 0.124 nan 8.360 nan 0.000 0.452 579 V N 1.717 121.788 119.914 0.262 0.000 2.332 579 V HA -0.304 3.820 4.120 0.006 0.000 0.248 579 V C 2.390 178.589 176.094 0.175 0.000 1.055 579 V CA 1.965 64.415 62.300 0.250 0.000 1.038 579 V CB -0.808 31.096 31.823 0.135 0.000 0.651 579 V HN 0.318 nan 8.190 nan 0.000 0.450 580 A N -0.104 122.775 122.820 0.099 0.000 1.930 580 A HA -0.029 4.294 4.320 0.006 0.000 0.217 580 A C 2.425 180.046 177.584 0.062 0.000 1.175 580 A CA 1.884 53.951 52.037 0.050 0.000 0.627 580 A CB -0.716 18.302 19.000 0.030 0.000 0.815 580 A HN 0.568 nan 8.150 nan 0.000 0.443 581 A N -1.081 121.760 122.820 0.036 0.000 1.902 581 A HA 0.018 4.342 4.320 0.006 0.000 0.217 581 A C 1.934 179.509 177.584 -0.015 0.000 1.181 581 A CA 1.491 53.507 52.037 -0.034 0.000 0.623 581 A CB -0.697 18.177 19.000 -0.209 0.000 0.818 581 A HN 0.429 nan 8.150 nan 0.000 0.443 582 F N 0.435 120.457 119.950 0.121 0.000 2.051 582 F HA -0.126 4.405 4.527 0.006 0.000 0.296 582 F C 2.349 178.260 175.800 0.184 0.000 1.122 582 F CA 2.018 60.162 58.000 0.241 0.000 1.201 582 F CB -0.365 38.773 39.000 0.229 0.000 0.978 582 F HN 0.128 nan 8.300 nan 0.000 0.472 583 K N -0.062 120.498 120.400 0.268 0.000 2.103 583 K HA -0.212 4.112 4.320 0.006 0.000 0.207 583 K C 2.163 178.806 176.600 0.072 0.000 1.048 583 K CA 1.178 57.523 56.287 0.098 0.000 0.930 583 K CB -0.247 32.195 32.500 -0.098 0.000 0.716 583 K HN 0.042 nan 8.250 nan 0.000 0.444 584 K N 0.983 121.423 120.400 0.065 0.000 1.965 584 K HA -0.184 4.140 4.320 0.006 0.000 0.218 584 K C 2.172 178.742 176.600 -0.050 0.000 1.048 584 K CA 1.850 58.150 56.287 0.021 0.000 0.960 584 K CB -0.514 32.042 32.500 0.093 0.000 0.732 584 K HN 0.100 nan 8.250 nan 0.000 0.444 585 Y N 0.560 120.677 120.300 -0.305 0.000 2.207 585 Y HA -0.109 4.445 4.550 0.006 0.000 0.287 585 Y C 2.456 178.064 175.900 -0.487 0.000 1.156 585 Y CA 1.486 59.275 58.100 -0.519 0.000 1.182 585 Y CB -1.137 36.700 38.460 -1.038 0.000 0.979 585 Y HN 0.374 nan 8.280 nan 0.000 0.521 586 G N -0.448 108.243 108.800 -0.181 0.000 2.485 586 G HA2 -0.334 3.630 3.960 0.006 0.000 0.221 586 G HA3 -0.334 3.630 3.960 0.006 0.000 0.221 586 G C 1.614 176.608 174.900 0.157 0.000 1.115 586 G CA 1.164 46.424 45.100 0.266 0.000 0.751 586 G HN 0.491 nan 8.290 nan 0.000 0.567 587 E N 0.014 120.234 120.200 0.034 0.000 2.072 587 E HA -0.020 4.334 4.350 0.006 0.000 0.190 587 E C 2.500 179.049 176.600 -0.086 0.000 0.982 587 E CA 0.337 56.730 56.400 -0.011 0.000 0.803 587 E CB -0.164 29.510 29.700 -0.042 0.000 0.755 587 E HN 0.477 nan 8.360 nan 0.000 0.453 588 L N -0.276 120.845 121.223 -0.170 0.000 2.093 588 L HA -0.139 4.205 4.340 0.006 0.000 0.208 588 L C 1.800 178.454 176.870 -0.359 0.000 1.085 588 L CA 0.990 55.647 54.840 -0.304 0.000 0.755 588 L CB -0.332 41.437 42.059 -0.483 0.000 0.904 588 L HN 0.203 nan 8.230 nan 0.000 0.435 589 Y N 0.030 120.170 120.300 -0.267 0.000 2.466 589 Y HA 0.259 4.813 4.550 0.006 0.000 0.272 589 Y C 1.572 177.179 175.900 -0.489 0.000 1.169 589 Y CA 0.071 57.930 58.100 -0.402 0.000 1.285 589 Y CB -0.153 37.984 38.460 -0.539 0.000 1.078 589 Y HN 0.221 nan 8.280 nan 0.000 0.523 590 G N 0.663 109.391 108.800 -0.119 0.000 2.367 590 G HA2 -0.308 3.656 3.960 0.006 0.000 0.295 590 G HA3 -0.308 3.656 3.960 0.006 0.000 0.295 590 G C -0.900 174.036 174.900 0.060 0.000 1.019 590 G CA -0.104 44.978 45.100 -0.030 0.000 1.224 590 G HN 0.247 nan 8.290 nan 0.000 0.510 591 Y N -0.346 120.091 120.300 0.228 0.000 2.485 591 Y HA 0.692 5.246 4.550 0.006 0.000 0.345 591 Y C 0.680 176.681 175.900 0.168 0.000 0.998 591 Y CA -1.646 56.574 58.100 0.200 0.000 1.059 591 Y CB 2.159 40.773 38.460 0.258 0.000 1.234 591 Y HN 0.196 nan 8.280 nan 0.000 0.461 592 S N 2.605 118.469 115.700 0.275 0.000 2.499 592 S HA 0.629 5.103 4.470 0.006 0.000 0.279 592 S C -0.998 173.674 174.600 0.120 0.000 1.219 592 S CA -0.354 57.944 58.200 0.164 0.000 1.062 592 S CB 0.146 63.393 63.200 0.079 0.000 0.978 592 S HN 0.325 nan 8.310 nan 0.000 0.489 593 L N 3.581 124.897 121.223 0.154 0.000 2.370 593 L HA 0.582 4.926 4.340 0.006 0.000 0.266 593 L C -0.396 176.495 176.870 0.036 0.000 1.002 593 L CA -0.342 54.564 54.840 0.111 0.000 0.818 593 L CB 1.877 44.088 42.059 0.253 0.000 1.325 593 L HN 0.498 nan 8.230 nan 0.000 0.418 594 E N 3.825 124.003 120.200 -0.037 0.000 2.218 594 E HA 0.494 4.848 4.350 0.006 0.000 0.263 594 E C -1.268 175.312 176.600 -0.033 0.000 0.879 594 E CA -0.448 55.910 56.400 -0.070 0.000 0.762 594 E CB 2.475 32.120 29.700 -0.092 0.000 1.166 594 E HN 0.392 nan 8.360 nan 0.000 0.415 595 L N 3.164 124.401 121.223 0.023 0.000 2.317 595 L HA 0.547 4.891 4.340 0.006 0.000 0.281 595 L C -0.610 176.261 176.870 0.001 0.000 1.024 595 L CA -1.017 53.815 54.840 -0.014 0.000 0.810 595 L CB 0.850 42.929 42.059 0.033 0.000 1.240 595 L HN 0.277 nan 8.230 nan 0.000 0.427 596 L N 2.679 123.896 121.223 -0.009 0.000 2.455 596 L HA 0.416 4.760 4.340 0.006 0.000 0.264 596 L C -0.487 176.371 176.870 -0.020 0.000 0.968 596 L CA -0.210 54.623 54.840 -0.012 0.000 0.827 596 L CB 2.467 44.515 42.059 -0.018 0.000 1.317 596 L HN 0.512 nan 8.230 nan 0.000 0.407 597 E N 3.583 123.765 120.200 -0.030 0.000 2.202 597 E HA 0.608 4.962 4.350 0.006 0.000 0.272 597 E C -0.942 175.624 176.600 -0.057 0.000 0.951 597 E CA -0.521 55.866 56.400 -0.022 0.000 0.813 597 E CB 2.502 32.193 29.700 -0.016 0.000 1.151 597 E HN 0.375 nan 8.360 nan 0.000 0.398 598 I N 3.722 124.261 120.570 -0.051 0.000 2.623 598 I HA 0.201 4.375 4.170 0.006 0.000 0.275 598 I C -0.908 175.185 176.117 -0.039 0.000 1.108 598 I CA -0.718 60.539 61.300 -0.072 0.000 1.120 598 I CB 0.675 38.607 38.000 -0.114 0.000 1.249 598 I HN 0.349 nan 8.210 nan 0.000 0.500 599 I N 6.376 126.923 120.570 -0.039 0.000 2.517 599 I HA -0.008 4.166 4.170 0.006 0.000 0.285 599 I C 1.496 177.596 176.117 -0.029 0.000 1.106 599 I CA 0.454 61.735 61.300 -0.032 0.000 1.402 599 I CB 0.442 38.415 38.000 -0.044 0.000 1.399 599 I HN 0.526 nan 8.210 nan 0.000 0.535 600 K N 6.021 126.410 120.400 -0.018 0.000 2.387 600 K HA 0.348 4.672 4.320 0.006 0.000 0.203 600 K C 0.180 176.770 176.600 -0.016 0.000 1.030 600 K CA -0.296 55.983 56.287 -0.012 0.000 1.099 600 K CB 0.604 33.103 32.500 -0.001 0.000 0.863 600 K HN 0.418 nan 8.250 nan 0.000 0.529 601 R N 1.067 121.553 120.500 -0.023 0.000 2.750 601 R HA 0.291 4.635 4.340 0.006 0.000 0.281 601 R C -0.756 175.521 176.300 -0.039 0.000 0.972 601 R CA -0.991 55.096 56.100 -0.023 0.000 0.912 601 R CB 1.134 31.428 30.300 -0.010 0.000 1.187 601 R HN 0.107 nan 8.270 nan 0.000 0.464 602 N N 1.882 120.561 118.700 -0.034 0.000 2.696 602 N HA -0.188 4.556 4.740 0.006 0.000 0.256 602 N C -1.140 174.305 175.510 -0.108 0.000 1.031 602 N CA 0.885 53.908 53.050 -0.046 0.000 0.730 602 N CB -0.982 37.477 38.487 -0.047 0.000 0.894 602 N HN 0.620 nan 8.380 nan 0.000 0.544 603 N N 0.171 118.820 118.700 -0.086 0.000 2.471 603 N HA 0.519 5.263 4.740 0.006 0.000 0.288 603 N C -2.323 173.157 175.510 -0.051 0.000 1.220 603 N CA -1.223 51.749 53.050 -0.130 0.000 0.893 603 N CB 1.223 39.650 38.487 -0.099 0.000 1.256 603 N HN -0.045 nan 8.380 nan 0.000 0.534 604 P HA 0.214 nan 4.420 nan 0.000 0.271 604 P C -0.573 176.654 177.300 -0.120 0.000 1.233 604 P CA 0.150 63.288 63.100 0.063 0.000 0.789 604 P CB 0.781 32.440 31.700 -0.067 0.000 0.951 605 R N 0.640 121.050 120.500 -0.150 0.000 2.670 605 R HA 0.506 4.850 4.340 0.006 0.000 0.289 605 R C -0.648 175.378 176.300 -0.457 0.000 0.965 605 R CA -0.663 55.247 56.100 -0.317 0.000 0.899 605 R CB 0.933 31.009 30.300 -0.374 0.000 1.173 605 R HN 0.332 nan 8.270 nan 0.000 0.456 606 F N 1.815 121.605 119.950 -0.267 0.000 2.399 606 F HA 0.322 4.852 4.527 0.006 0.000 0.342 606 F C -0.051 175.503 175.800 -0.410 0.000 1.106 606 F CA 0.032 57.939 58.000 -0.155 0.000 1.196 606 F CB 0.605 39.591 39.000 -0.024 0.000 1.163 606 F HN 0.316 nan 8.300 nan 0.000 0.547 607 F N 2.028 122.124 119.950 0.243 0.000 2.513 607 F HA 0.476 5.008 4.527 0.008 0.000 0.358 607 F C 0.045 175.902 175.800 0.095 0.000 1.118 607 F CA -0.409 57.665 58.000 0.123 0.000 1.037 607 F CB 1.474 40.517 39.000 0.073 0.000 1.276 607 F HN 0.324 nan 8.300 nan 0.000 0.446 608 S N 1.200 116.990 115.700 0.150 0.000 2.638 608 S HA 0.472 4.946 4.470 0.006 0.000 0.274 608 S C -0.288 174.305 174.600 -0.011 0.000 1.157 608 S CA -0.711 57.523 58.200 0.055 0.000 0.826 608 S CB 1.322 64.499 63.200 -0.039 0.000 1.139 608 S HN 0.527 nan 8.310 nan 0.000 0.474 609 N N 1.372 120.052 118.700 -0.033 0.000 2.234 609 N HA 0.128 4.872 4.740 0.006 0.000 0.227 609 N C 0.618 176.053 175.510 -0.124 0.000 1.151 609 N CA 0.008 53.021 53.050 -0.061 0.000 0.865 609 N CB 0.855 39.325 38.487 -0.030 0.000 1.066 609 N HN 0.603 nan 8.380 nan 0.000 0.515 610 E N 1.661 121.754 120.200 -0.179 0.000 2.112 610 E HA -0.083 4.271 4.350 0.006 0.000 0.190 610 E C 0.566 176.948 176.600 -0.363 0.000 0.979 610 E CA 1.316 57.571 56.400 -0.242 0.000 0.814 610 E CB 0.316 29.834 29.700 -0.303 0.000 0.762 610 E HN -0.082 nan 8.360 nan 0.000 0.460 611 K N -2.088 118.094 120.400 -0.363 0.000 4.998 611 K HA -0.204 4.120 4.320 0.006 0.000 0.444 611 K C 0.108 176.533 176.600 -0.292 0.000 0.393 611 K CA 1.881 57.929 56.287 -0.398 0.000 1.908 611 K CB -1.859 30.251 32.500 -0.650 0.000 0.757 611 K HN 0.216 nan 8.250 nan 0.000 0.588 612 F N 1.398 121.231 119.950 -0.194 0.000 2.753 612 F HA 0.340 4.871 4.527 0.007 0.000 0.314 612 F C 1.242 176.850 175.800 -0.321 0.000 1.215 612 F CA -0.807 57.088 58.000 -0.174 0.000 1.243 612 F CB -0.727 38.227 39.000 -0.077 0.000 1.400 612 F HN 0.178 nan 8.300 nan 0.000 0.548 613 I N -2.100 118.204 120.570 -0.444 0.000 3.684 613 I HA 0.136 4.310 4.170 0.006 0.000 0.304 613 I C 1.024 176.862 176.117 -0.464 0.000 1.278 613 I CA -0.300 60.394 61.300 -1.009 0.000 1.272 613 I CB -0.284 36.839 38.000 -1.462 0.000 1.029 613 I HN 0.027 nan 8.210 nan 0.000 0.458 614 K N 2.839 123.128 120.400 -0.185 0.000 2.430 614 K HA 0.195 4.519 4.320 0.006 0.000 0.280 614 K C 1.097 177.762 176.600 0.107 0.000 1.063 614 K CA 1.217 57.478 56.287 -0.043 0.000 1.071 614 K CB -0.093 32.439 32.500 0.053 0.000 0.899 614 K HN 0.574 nan 8.250 nan 0.000 0.473 615 G N 3.101 111.961 108.800 0.100 0.000 2.184 615 G HA2 -0.243 3.720 3.960 0.006 0.000 0.206 615 G HA3 -0.243 3.720 3.960 0.006 0.000 0.206 615 G C -0.660 174.428 174.900 0.314 0.000 0.995 615 G CA -0.337 44.892 45.100 0.215 0.000 0.651 615 G HN 0.557 nan 8.290 nan 0.000 0.511 616 Y N 1.004 121.266 120.300 -0.064 0.000 2.526 616 Y HA 0.515 5.069 4.550 0.006 0.000 0.330 616 Y C 0.739 176.681 175.900 0.070 0.000 1.156 616 Y CA -0.412 57.578 58.100 -0.184 0.000 1.419 616 Y CB 0.077 38.175 38.460 -0.605 0.000 1.250 616 Y HN 0.405 nan 8.280 nan 0.000 0.540 617 F N 2.363 122.390 119.950 0.127 0.000 2.629 617 F HA 0.665 5.197 4.527 0.007 0.000 0.316 617 F C -2.228 173.744 175.800 0.286 0.000 1.081 617 F CA -2.018 56.133 58.000 0.252 0.000 0.954 617 F CB 1.496 40.562 39.000 0.110 0.000 1.337 617 F HN 0.268 nan 8.300 nan 0.000 0.474 618 Y N 1.955 122.543 120.300 0.480 0.000 2.354 618 Y HA 0.482 5.036 4.550 0.006 0.000 0.330 618 Y C -1.029 175.027 175.900 0.261 0.000 1.011 618 Y CA -1.093 57.168 58.100 0.268 0.000 1.099 618 Y CB 1.695 40.228 38.460 0.121 0.000 1.179 618 Y HN 0.701 nan 8.280 nan 0.000 0.442 619 K N 5.683 125.982 120.400 -0.168 0.000 2.234 619 K HA 0.338 4.661 4.320 0.006 0.000 0.282 619 K C -1.073 175.480 176.600 -0.078 0.000 1.039 619 K CA -0.535 55.711 56.287 -0.068 0.000 0.928 619 K CB 1.074 33.529 32.500 -0.075 0.000 1.039 619 K HN 0.478 nan 8.250 nan 0.000 0.470 620 L N 1.198 122.443 121.223 0.037 0.000 2.492 620 L HA 0.224 4.568 4.340 0.006 0.000 0.263 620 L C 1.634 178.479 176.870 -0.041 0.000 1.062 620 L CA 0.324 55.188 54.840 0.040 0.000 0.817 620 L CB 1.263 43.353 42.059 0.051 0.000 1.441 620 L HN 0.825 nan 8.230 nan 0.000 0.493 621 S N -0.099 115.566 115.700 -0.059 0.000 2.455 621 S HA -0.121 4.353 4.470 0.006 0.000 0.199 621 S C 0.754 175.322 174.600 -0.054 0.000 1.169 621 S CA 0.502 58.656 58.200 -0.077 0.000 1.503 621 S CB -0.661 62.485 63.200 -0.091 0.000 0.960 621 S HN 0.487 nan 8.310 nan 0.000 0.385 622 E N 2.491 122.667 120.200 -0.040 0.000 2.413 622 E HA -0.015 4.338 4.350 0.006 0.000 0.277 622 E C -0.534 176.048 176.600 -0.029 0.000 1.114 622 E CA 0.402 56.786 56.400 -0.028 0.000 1.111 622 E CB -1.941 27.748 29.700 -0.017 0.000 1.066 622 E HN 0.358 nan 8.360 nan 0.000 0.454 623 D N 0.730 121.107 120.400 -0.038 0.000 2.792 623 D HA -0.234 4.410 4.640 0.006 0.000 0.231 623 D C -0.677 175.597 176.300 -0.044 0.000 1.160 623 D CA 1.183 55.157 54.000 -0.044 0.000 0.697 623 D CB -0.958 39.819 40.800 -0.039 0.000 1.070 623 D HN 0.331 nan 8.370 nan 0.000 0.426 624 S N -1.096 114.582 115.700 -0.037 0.000 2.651 624 S HA 0.699 5.173 4.470 0.006 0.000 0.291 624 S C -0.303 174.288 174.600 -0.015 0.000 1.141 624 S CA -0.560 57.622 58.200 -0.029 0.000 1.027 624 S CB 2.243 65.429 63.200 -0.023 0.000 1.043 624 S HN -0.007 nan 8.310 nan 0.000 0.530 625 V N 3.677 123.589 119.914 -0.003 0.000 2.971 625 V HA 0.522 4.645 4.120 0.006 0.000 0.309 625 V C -1.145 174.997 176.094 0.081 0.000 1.130 625 V CA -0.835 61.488 62.300 0.039 0.000 0.964 625 V CB 2.150 33.954 31.823 -0.032 0.000 1.029 625 V HN 0.764 nan 8.190 nan 0.000 0.427 626 I N 4.383 125.060 120.570 0.178 0.000 2.328 626 I HA 0.428 4.602 4.170 0.006 0.000 0.287 626 I C -0.561 175.723 176.117 0.279 0.000 1.012 626 I CA -0.325 61.069 61.300 0.157 0.000 1.195 626 I CB 1.196 39.253 38.000 0.095 0.000 1.350 626 I HN 0.355 nan 8.210 nan 0.000 0.464 627 L N 6.356 127.706 121.223 0.210 0.000 2.322 627 L HA 0.712 5.055 4.340 0.006 0.000 0.281 627 L C 0.120 177.149 176.870 0.265 0.000 1.014 627 L CA -0.321 54.663 54.840 0.241 0.000 0.815 627 L CB 1.682 43.797 42.059 0.093 0.000 1.247 627 L HN 0.655 nan 8.230 nan 0.000 0.421 628 A N 2.411 125.411 122.820 0.299 0.000 2.279 628 A HA 0.512 4.836 4.320 0.006 0.000 0.306 628 A C 0.729 178.361 177.584 0.080 0.000 1.300 628 A CA 0.205 52.383 52.037 0.236 0.000 0.925 628 A CB -0.121 18.841 19.000 -0.063 0.000 1.152 628 A HN 0.859 nan 8.150 nan 0.000 0.544 629 T N -0.803 113.803 114.554 0.085 0.000 3.069 629 T HA 0.356 4.710 4.350 0.006 0.000 0.252 629 T C -0.071 174.702 174.700 0.122 0.000 1.053 629 T CA 0.347 62.465 62.100 0.029 0.000 0.964 629 T CB -0.718 68.160 68.868 0.018 0.000 1.005 629 T HN 0.935 nan 8.240 nan 0.000 0.532 630 Y N -0.827 119.554 120.300 0.135 0.000 2.534 630 Y HA 0.682 5.236 4.550 0.006 0.000 0.345 630 Y C -1.195 174.780 175.900 0.125 0.000 1.031 630 Y CA -2.181 55.992 58.100 0.122 0.000 1.022 630 Y CB 0.669 39.203 38.460 0.124 0.000 1.292 630 Y HN -0.253 nan 8.280 nan 0.000 0.459 631 N N 3.447 122.333 118.700 0.311 0.000 2.497 631 N HA 0.059 4.803 4.740 0.006 0.000 0.271 631 N C -0.754 174.977 175.510 0.368 0.000 1.142 631 N CA -0.245 52.929 53.050 0.207 0.000 0.965 631 N CB 1.183 39.827 38.487 0.263 0.000 1.077 631 N HN 0.841 nan 8.380 nan 0.000 0.462 632 Q N 0.505 120.413 119.800 0.180 0.000 2.402 632 Q HA 0.220 4.563 4.340 0.006 0.000 0.238 632 Q C -0.551 175.579 176.000 0.216 0.000 1.126 632 Q CA -0.281 55.723 55.803 0.336 0.000 0.904 632 Q CB 0.248 29.102 28.738 0.194 0.000 1.357 632 Q HN 0.211 nan 8.270 nan 0.000 0.491 633 V N 4.160 124.222 119.914 0.247 0.000 2.982 633 V HA 0.224 4.348 4.120 0.006 0.000 0.368 633 V C -0.870 175.348 176.094 0.206 0.000 1.350 633 V CA -0.257 62.139 62.300 0.161 0.000 1.251 633 V CB -0.870 31.026 31.823 0.122 0.000 1.284 633 V HN 0.762 nan 8.190 nan 0.000 0.533 634 Y N 0.782 121.139 120.300 0.096 0.000 2.361 634 Y HA 0.387 4.940 4.550 0.006 0.000 0.328 634 Y C 1.120 177.059 175.900 0.064 0.000 1.044 634 Y CA -1.152 56.987 58.100 0.065 0.000 1.085 634 Y CB 1.670 40.162 38.460 0.054 0.000 1.194 634 Y HN 0.521 nan 8.280 nan 0.000 0.438 635 E N 2.328 122.596 120.200 0.114 0.000 3.534 635 E HA -0.335 4.018 4.350 0.006 0.000 0.444 635 E C 0.940 177.558 176.600 0.031 0.000 1.628 635 E CA 2.133 58.536 56.400 0.004 0.000 1.458 635 E CB -1.339 28.290 29.700 -0.119 0.000 1.419 635 E HN 0.719 nan 8.360 nan 0.000 0.418 636 G N -1.242 107.566 108.800 0.014 0.000 2.682 636 G HA2 0.159 4.123 3.960 0.006 0.000 0.200 636 G HA3 0.159 4.123 3.960 0.006 0.000 0.200 636 G C 0.081 175.000 174.900 0.032 0.000 1.179 636 G CA 0.303 45.419 45.100 0.028 0.000 0.718 636 G HN 0.637 nan 8.290 nan 0.000 0.685 637 T N 1.070 115.625 114.554 0.002 0.000 2.784 637 T HA 0.270 4.624 4.350 0.006 0.000 0.291 637 T C -0.500 174.202 174.700 0.004 0.000 0.942 637 T CA -0.176 61.889 62.100 -0.059 0.000 1.161 637 T CB -0.104 68.704 68.868 -0.100 0.000 0.885 637 T HN 0.327 nan 8.240 nan 0.000 0.534 638 H N 4.364 123.367 119.070 -0.111 0.000 2.517 638 H HA 0.381 4.941 4.556 0.006 0.000 0.317 638 H C 0.231 175.521 175.328 -0.063 0.000 1.080 638 H CA -0.686 55.321 56.048 -0.069 0.000 1.301 638 H CB 0.661 30.337 29.762 -0.143 0.000 1.425 638 H HN 0.670 nan 8.280 nan 0.000 0.471 639 Q N 6.862 126.396 119.800 -0.443 0.000 2.465 639 Q HA 0.345 4.689 4.340 0.006 0.000 0.237 639 Q C -2.714 173.089 176.000 -0.328 0.000 1.051 639 Q CA -2.163 53.480 55.803 -0.266 0.000 0.874 639 Q CB 1.541 30.222 28.738 -0.095 0.000 1.207 639 Q HN 0.443 nan 8.270 nan 0.000 0.508 640 P HA 0.247 nan 4.420 nan 0.000 0.312 640 P C -0.097 177.206 177.300 0.006 0.000 1.307 640 P CA -0.314 62.809 63.100 0.038 0.000 0.738 640 P CB 0.845 32.686 31.700 0.236 0.000 1.422 641 I N -5.524 115.070 120.570 0.040 0.000 3.191 641 I HA 0.660 4.834 4.170 0.006 0.000 0.313 641 I C -0.864 175.254 176.117 0.002 0.000 1.193 641 I CA -1.510 59.794 61.300 0.006 0.000 0.968 641 I CB 2.493 40.497 38.000 0.006 0.000 1.262 641 I HN 0.083 nan 8.210 nan 0.000 0.456 642 K N 1.921 122.307 120.400 -0.024 0.000 2.221 642 K HA 0.749 5.073 4.320 0.006 0.000 0.258 642 K C -1.744 174.831 176.600 -0.042 0.000 0.944 642 K CA -0.645 55.625 56.287 -0.028 0.000 0.823 642 K CB 2.091 34.563 32.500 -0.047 0.000 1.113 642 K HN 0.575 nan 8.250 nan 0.000 0.431 643 V N 4.522 124.411 119.914 -0.042 0.000 2.444 643 V HA 0.469 4.593 4.120 0.006 0.000 0.294 643 V C -0.667 175.393 176.094 -0.056 0.000 1.022 643 V CA -0.840 61.419 62.300 -0.067 0.000 0.850 643 V CB 1.412 33.184 31.823 -0.086 0.000 0.992 643 V HN 0.750 nan 8.190 nan 0.000 0.426 644 R N 3.600 124.067 120.500 -0.055 0.000 2.480 644 R HA 0.483 4.827 4.340 0.006 0.000 0.306 644 R C -0.485 175.794 176.300 -0.035 0.000 0.958 644 R CA -0.738 55.337 56.100 -0.041 0.000 0.861 644 R CB 1.421 31.701 30.300 -0.034 0.000 1.171 644 R HN 0.672 nan 8.270 nan 0.000 0.445 645 K N 4.445 124.826 120.400 -0.031 0.000 2.250 645 K HA 0.121 4.445 4.320 0.006 0.000 0.285 645 K C 0.399 177.004 176.600 0.008 0.000 1.097 645 K CA -0.307 55.967 56.287 -0.021 0.000 0.913 645 K CB 0.995 33.472 32.500 -0.038 0.000 1.179 645 K HN 0.518 nan 8.250 nan 0.000 0.462 646 V N 4.490 124.424 119.914 0.034 0.000 2.453 646 V HA -0.110 4.014 4.120 0.006 0.000 0.247 646 V C 0.266 176.461 176.094 0.169 0.000 1.048 646 V CA 0.923 63.268 62.300 0.076 0.000 1.049 646 V CB -0.687 31.181 31.823 0.074 0.000 0.672 646 V HN 0.723 nan 8.190 nan 0.000 0.457 647 Y N -1.430 118.866 120.300 -0.007 0.000 2.592 647 Y HA 0.633 5.187 4.550 0.006 0.000 0.334 647 Y C -0.204 175.693 175.900 -0.005 0.000 1.136 647 Y CA -0.382 57.720 58.100 0.004 0.000 1.042 647 Y CB 1.551 40.025 38.460 0.023 0.000 1.325 647 Y HN 0.215 nan 8.280 nan 0.000 0.457 648 G N 3.108 111.386 108.800 -0.870 0.000 2.326 648 G HA2 0.172 4.136 3.960 0.006 0.000 0.413 648 G HA3 0.172 4.136 3.960 0.006 0.000 0.413 648 G C -1.049 173.613 174.900 -0.396 0.000 1.444 648 G CA -0.269 44.471 45.100 -0.599 0.000 1.002 648 G HN 1.003 nan 8.290 nan 0.000 0.649 649 E N -0.485 119.554 120.200 -0.268 0.000 2.585 649 E HA 0.417 4.771 4.350 0.006 0.000 0.206 649 E C 0.011 176.546 176.600 -0.108 0.000 1.007 649 E CA -0.385 55.916 56.400 -0.165 0.000 1.028 649 E CB 0.280 29.902 29.700 -0.130 0.000 1.087 649 E HN 0.411 nan 8.360 nan 0.000 0.455 650 L N 1.380 122.540 121.223 -0.104 0.000 2.346 650 L HA 0.535 4.878 4.340 0.006 0.000 0.274 650 L C -2.365 174.464 176.870 -0.068 0.000 1.007 650 L CA -2.787 52.011 54.840 -0.071 0.000 0.818 650 L CB 1.527 43.551 42.059 -0.059 0.000 1.284 650 L HN -0.087 nan 8.230 nan 0.000 0.424 651 P HA -0.057 nan 4.420 nan 0.000 0.268 651 P C 0.830 178.085 177.300 -0.075 0.000 1.208 651 P CA -0.322 62.738 63.100 -0.066 0.000 0.777 651 P CB 0.691 32.355 31.700 -0.060 0.000 0.875 652 V N 0.289 120.148 119.914 -0.092 0.000 2.759 652 V HA -0.212 3.912 4.120 0.006 0.000 0.256 652 V C 1.527 177.540 176.094 -0.136 0.000 1.080 652 V CA 1.628 63.865 62.300 -0.105 0.000 1.101 652 V CB -1.326 30.427 31.823 -0.118 0.000 0.698 652 V HN 0.316 nan 8.190 nan 0.000 0.477 653 E N 1.127 121.233 120.200 -0.155 0.000 2.085 653 E HA -0.138 4.216 4.350 0.006 0.000 0.194 653 E C 2.168 178.705 176.600 -0.106 0.000 0.994 653 E CA 1.977 58.267 56.400 -0.183 0.000 0.801 653 E CB -0.640 28.968 29.700 -0.154 0.000 0.743 653 E HN 0.604 nan 8.360 nan 0.000 0.453 654 V N 0.824 120.700 119.914 -0.063 0.000 2.229 654 V HA -0.250 3.874 4.120 0.006 0.000 0.243 654 V C 2.289 178.381 176.094 -0.004 0.000 1.042 654 V CA 1.660 63.949 62.300 -0.019 0.000 1.000 654 V CB -0.718 31.101 31.823 -0.007 0.000 0.637 654 V HN 0.235 nan 8.190 nan 0.000 0.446 655 L N -0.482 120.737 121.223 -0.008 0.000 2.051 655 L HA -0.301 4.043 4.340 0.006 0.000 0.214 655 L C 2.665 179.524 176.870 -0.019 0.000 1.076 655 L CA 1.797 56.650 54.840 0.021 0.000 0.758 655 L CB -0.957 41.101 42.059 -0.001 0.000 0.890 655 L HN 0.420 nan 8.230 nan 0.000 0.433 656 C N -1.358 117.897 119.300 -0.075 0.000 2.453 656 C HA -0.162 4.302 4.460 0.006 0.000 0.277 656 C C 3.356 178.285 174.990 -0.102 0.000 1.262 656 C CA 1.342 60.294 59.018 -0.110 0.000 1.718 656 C CB -0.558 27.086 27.740 -0.160 0.000 2.031 656 C HN 0.592 nan 8.230 nan 0.000 0.480 657 S N -0.066 115.597 115.700 -0.062 0.000 2.382 657 S HA -0.200 4.274 4.470 0.006 0.000 0.228 657 S C 1.903 176.484 174.600 -0.031 0.000 1.027 657 S CA 1.521 59.715 58.200 -0.010 0.000 0.991 657 S CB -0.284 62.948 63.200 0.054 0.000 0.823 657 S HN 0.723 nan 8.310 nan 0.000 0.469 658 Q N 0.080 119.869 119.800 -0.018 0.000 2.119 658 Q HA -0.023 4.321 4.340 0.006 0.000 0.201 658 Q C 2.168 178.069 176.000 -0.166 0.000 0.972 658 Q CA 1.512 57.284 55.803 -0.051 0.000 0.847 658 Q CB -0.287 28.512 28.738 0.102 0.000 0.903 658 Q HN 0.586 nan 8.270 nan 0.000 0.433 659 I N 0.670 121.165 120.570 -0.125 0.000 2.286 659 I HA -0.284 3.890 4.170 0.006 0.000 0.248 659 I C 2.153 178.118 176.117 -0.253 0.000 1.115 659 I CA 1.023 62.222 61.300 -0.168 0.000 1.392 659 I CB -0.176 37.719 38.000 -0.176 0.000 1.065 659 I HN 0.186 nan 8.210 nan 0.000 0.418 660 L N -0.312 120.712 121.223 -0.331 0.000 2.017 660 L HA -0.201 4.143 4.340 0.006 0.000 0.208 660 L C 2.714 179.268 176.870 -0.526 0.000 1.073 660 L CA 1.288 55.764 54.840 -0.606 0.000 0.745 660 L CB -0.608 40.789 42.059 -1.105 0.000 0.894 660 L HN 0.160 nan 8.230 nan 0.000 0.432 661 S N 0.193 115.722 115.700 -0.285 0.000 2.359 661 S HA -0.160 4.313 4.470 0.006 0.000 0.224 661 S C 1.814 176.298 174.600 -0.193 0.000 1.035 661 S CA 1.284 59.432 58.200 -0.086 0.000 1.018 661 S CB -0.378 62.802 63.200 -0.033 0.000 0.876 661 S HN 0.306 nan 8.310 nan 0.000 0.448 662 L N 1.221 122.266 121.223 -0.296 0.000 2.633 662 L HA -0.022 4.321 4.340 0.006 0.000 0.235 662 L C 2.165 178.856 176.870 -0.299 0.000 1.163 662 L CA 0.572 55.193 54.840 -0.365 0.000 0.859 662 L CB -0.740 41.029 42.059 -0.484 0.000 0.973 662 L HN 0.293 nan 8.230 nan 0.000 0.451 663 T N -0.010 114.392 114.554 -0.252 0.000 2.904 663 T HA -0.032 4.322 4.350 0.006 0.000 0.267 663 T C 1.920 176.495 174.700 -0.208 0.000 1.059 663 T CA 0.804 62.776 62.100 -0.214 0.000 1.137 663 T CB -0.005 68.744 68.868 -0.199 0.000 0.879 663 T HN 0.256 nan 8.240 nan 0.000 0.467 664 L N 0.607 121.716 121.223 -0.189 0.000 2.265 664 L HA -0.017 4.327 4.340 0.006 0.000 0.215 664 L C 2.015 178.697 176.870 -0.314 0.000 1.117 664 L CA 0.667 55.406 54.840 -0.168 0.000 0.782 664 L CB -0.471 41.535 42.059 -0.088 0.000 0.914 664 L HN 0.286 nan 8.230 nan 0.000 0.441 665 M N -0.590 118.766 119.600 -0.407 0.000 2.691 665 M HA -0.005 4.479 4.480 0.006 0.000 0.227 665 M C 0.878 176.824 176.300 -0.590 0.000 1.120 665 M CA 0.681 55.571 55.300 -0.683 0.000 1.034 665 M CB -0.885 31.476 32.600 -0.398 0.000 1.675 665 M HN 0.209 nan 8.290 nan 0.000 0.514 666 N N 0.147 118.630 118.700 -0.361 0.000 2.322 666 N HA 0.015 4.759 4.740 0.006 0.000 0.194 666 N C -0.579 174.907 175.510 -0.040 0.000 1.126 666 N CA 0.004 52.973 53.050 -0.134 0.000 0.845 666 N CB -0.055 38.289 38.487 -0.238 0.000 0.976 666 N HN 0.315 nan 8.380 nan 0.000 0.475 667 Y N 0.402 120.678 120.300 -0.039 0.000 2.993 667 Y HA -0.282 4.272 4.550 0.006 0.000 0.206 667 Y C 0.389 176.272 175.900 -0.029 0.000 1.256 667 Y CA 0.171 58.247 58.100 -0.041 0.000 0.808 667 Y CB -2.023 36.360 38.460 -0.128 0.000 1.211 667 Y HN -0.087 nan 8.280 nan 0.000 0.417 668 S N 0.412 116.129 115.700 0.028 0.000 2.413 668 S HA 0.365 4.839 4.470 0.006 0.000 0.170 668 S C 0.144 174.680 174.600 -0.106 0.000 1.294 668 S CA -0.124 58.072 58.200 -0.007 0.000 1.201 668 S CB 0.002 63.206 63.200 0.007 0.000 1.328 668 S HN 0.412 nan 8.310 nan 0.000 0.418 669 S N 1.951 117.479 115.700 -0.288 0.000 2.582 669 S HA 0.404 4.877 4.470 0.006 0.000 0.249 669 S C 0.125 174.347 174.600 -0.631 0.000 1.072 669 S CA -0.303 57.625 58.200 -0.453 0.000 1.115 669 S CB -0.561 62.333 63.200 -0.510 0.000 0.790 669 S HN 0.565 nan 8.310 nan 0.000 0.459 670 F N 0.510 120.473 119.950 0.022 0.000 2.897 670 F HA 0.361 4.891 4.527 0.006 0.000 0.364 670 F C 0.473 176.264 175.800 -0.015 0.000 0.940 670 F CA -0.569 57.434 58.000 0.005 0.000 1.106 670 F CB 0.153 39.162 39.000 0.015 0.000 1.034 670 F HN 0.194 nan 8.300 nan 0.000 0.583 671 Q N 2.008 121.882 119.800 0.123 0.000 2.341 671 Q HA 0.404 4.748 4.340 0.006 0.000 0.268 671 Q C -2.615 173.366 176.000 -0.032 0.000 1.013 671 Q CA -1.976 53.837 55.803 0.017 0.000 0.798 671 Q CB 1.979 30.726 28.738 0.014 0.000 1.253 671 Q HN -0.175 nan 8.270 nan 0.000 0.457 672 P HA 0.040 nan 4.420 nan 0.000 0.268 672 P C -0.834 176.377 177.300 -0.147 0.000 1.204 672 P CA 0.266 63.321 63.100 -0.074 0.000 0.768 672 P CB 0.597 32.270 31.700 -0.044 0.000 0.842 673 I N 3.377 123.883 120.570 -0.106 0.000 2.474 673 I HA 0.229 4.403 4.170 0.006 0.000 0.294 673 I C 1.359 177.442 176.117 -0.056 0.000 1.005 673 I CA -0.476 60.749 61.300 -0.125 0.000 1.113 673 I CB 1.937 39.818 38.000 -0.198 0.000 1.289 673 I HN 0.438 nan 8.210 nan 0.000 0.436 674 K N 4.980 125.365 120.400 -0.024 0.000 2.067 674 K HA 0.194 4.517 4.320 0.006 0.000 0.203 674 K C 0.454 177.104 176.600 0.083 0.000 1.048 674 K CA 0.675 57.048 56.287 0.143 0.000 0.954 674 K CB 0.373 32.969 32.500 0.160 0.000 0.737 674 K HN 0.436 nan 8.250 nan 0.000 0.444 675 L N 2.346 123.604 121.223 0.059 0.000 2.399 675 L HA 0.311 4.655 4.340 0.006 0.000 0.266 675 L C -2.243 174.619 176.870 -0.015 0.000 1.114 675 L CA -2.488 52.382 54.840 0.049 0.000 0.804 675 L CB 1.115 43.258 42.059 0.140 0.000 1.146 675 L HN 0.075 nan 8.230 nan 0.000 0.451 676 P HA 0.061 nan 4.420 nan 0.000 0.274 676 P C -0.012 177.259 177.300 -0.050 0.000 1.231 676 P CA -0.232 62.812 63.100 -0.093 0.000 0.790 676 P CB 0.843 32.489 31.700 -0.090 0.000 0.951 677 A N 2.321 125.042 122.820 -0.165 0.000 2.042 677 A HA -0.222 4.102 4.320 0.006 0.000 0.222 677 A C 1.886 179.462 177.584 -0.015 0.000 1.167 677 A CA 2.576 54.561 52.037 -0.088 0.000 0.649 677 A CB -1.945 16.859 19.000 -0.326 0.000 0.809 677 A HN 0.663 nan 8.150 nan 0.000 0.457 678 T N -2.576 111.873 114.554 -0.175 0.000 2.915 678 T HA 0.005 4.359 4.350 0.006 0.000 0.269 678 T C 1.174 175.971 174.700 0.162 0.000 1.071 678 T CA 1.561 63.695 62.100 0.058 0.000 1.132 678 T CB -0.440 68.465 68.868 0.061 0.000 0.878 678 T HN 0.964 nan 8.240 nan 0.000 0.479 679 V N -2.757 117.242 119.914 0.141 0.000 3.330 679 V HA 0.381 4.504 4.120 0.006 0.000 0.309 679 V C 0.497 176.673 176.094 0.137 0.000 1.481 679 V CA -0.992 61.377 62.300 0.116 0.000 1.068 679 V CB -1.026 30.849 31.823 0.087 0.000 0.935 679 V HN 0.581 nan 8.190 nan 0.000 0.453 680 H N 0.715 119.841 119.070 0.093 0.000 2.886 680 H HA 0.181 4.740 4.556 0.006 0.000 0.329 680 H C -0.001 175.456 175.328 0.215 0.000 1.044 680 H CA 0.545 56.695 56.048 0.170 0.000 1.456 680 H CB 0.253 30.159 29.762 0.240 0.000 1.464 680 H HN 0.401 nan 8.280 nan 0.000 0.573 681 Y N 2.502 122.558 120.300 -0.407 0.000 3.305 681 Y HA -0.313 4.241 4.550 0.006 0.000 0.212 681 Y C 1.301 177.039 175.900 -0.269 0.000 1.248 681 Y CA 0.955 58.839 58.100 -0.360 0.000 1.359 681 Y CB -1.830 36.391 38.460 -0.397 0.000 1.407 681 Y HN 0.511 nan 8.280 nan 0.000 0.572 682 S N -0.885 114.767 115.700 -0.081 0.000 2.357 682 S HA -0.085 4.389 4.470 0.006 0.000 0.209 682 S C 1.564 176.130 174.600 -0.056 0.000 1.023 682 S CA 0.659 58.852 58.200 -0.011 0.000 0.933 682 S CB -0.088 63.152 63.200 0.067 0.000 0.897 682 S HN 0.613 nan 8.310 nan 0.000 0.529 683 D N 1.298 121.668 120.400 -0.050 0.000 2.149 683 D HA -0.177 4.467 4.640 0.006 0.000 0.194 683 D C 1.900 178.148 176.300 -0.087 0.000 1.001 683 D CA 1.380 55.350 54.000 -0.049 0.000 0.849 683 D CB -0.009 40.765 40.800 -0.045 0.000 0.939 683 D HN 0.264 nan 8.370 nan 0.000 0.449 684 K N -0.069 120.244 120.400 -0.145 0.000 2.002 684 K HA -0.133 4.191 4.320 0.006 0.000 0.209 684 K C 2.112 178.645 176.600 -0.111 0.000 1.048 684 K CA 1.232 57.432 56.287 -0.146 0.000 0.930 684 K CB -0.158 32.189 32.500 -0.255 0.000 0.714 684 K HN 0.168 nan 8.250 nan 0.000 0.438 685 I N 0.222 120.697 120.570 -0.159 0.000 2.113 685 I HA -0.279 3.895 4.170 0.006 0.000 0.238 685 I C 2.604 178.592 176.117 -0.216 0.000 1.070 685 I CA 1.620 62.777 61.300 -0.239 0.000 1.332 685 I CB -0.624 37.038 38.000 -0.563 0.000 1.044 685 I HN 0.371 nan 8.210 nan 0.000 0.402 686 T N 0.360 114.797 114.554 -0.196 0.000 2.665 686 T HA -0.275 4.079 4.350 0.006 0.000 0.268 686 T C 1.938 176.601 174.700 -0.062 0.000 1.035 686 T CA 2.038 64.077 62.100 -0.102 0.000 1.151 686 T CB -0.106 68.749 68.868 -0.021 0.000 0.862 686 T HN 0.068 nan 8.240 nan 0.000 0.438 687 K N 0.195 120.565 120.400 -0.051 0.000 2.211 687 K HA 0.071 4.395 4.320 0.006 0.000 0.203 687 K C 1.912 178.495 176.600 -0.028 0.000 1.050 687 K CA 0.763 57.035 56.287 -0.026 0.000 0.945 687 K CB -0.527 31.961 32.500 -0.020 0.000 0.732 687 K HN 0.323 nan 8.250 nan 0.000 0.451 688 L N -0.078 121.115 121.223 -0.050 0.000 2.209 688 L HA 0.126 4.470 4.340 0.006 0.000 0.207 688 L C 1.277 178.118 176.870 -0.049 0.000 1.094 688 L CA 1.259 56.073 54.840 -0.043 0.000 0.790 688 L CB -0.148 41.884 42.059 -0.045 0.000 0.932 688 L HN 0.163 nan 8.230 nan 0.000 0.447 689 M N -0.284 119.273 119.600 -0.072 0.000 2.639 689 M HA 0.095 4.579 4.480 0.006 0.000 0.220 689 M C 0.264 176.534 176.300 -0.050 0.000 1.155 689 M CA 0.546 55.803 55.300 -0.072 0.000 1.003 689 M CB -0.762 31.775 32.600 -0.104 0.000 1.725 689 M HN 0.120 nan 8.290 nan 0.000 0.489 690 L N 1.261 122.466 121.223 -0.030 0.000 2.598 690 L HA 0.207 4.551 4.340 0.006 0.000 0.241 690 L C -0.425 176.443 176.870 -0.003 0.000 1.244 690 L CA -0.104 54.728 54.840 -0.012 0.000 1.198 690 L CB -0.170 41.891 42.059 0.003 0.000 1.448 690 L HN 0.106 nan 8.230 nan 0.000 0.406 691 R N 0.467 120.961 120.500 -0.010 0.000 2.515 691 R HA 0.657 5.001 4.340 0.006 0.000 0.291 691 R C 0.201 176.497 176.300 -0.007 0.000 1.046 691 R CA 0.043 56.141 56.100 -0.004 0.000 0.914 691 R CB 1.858 32.155 30.300 -0.005 0.000 1.191 691 R HN 0.409 nan 8.270 nan 0.000 0.435 692 G N 2.089 110.888 108.800 -0.001 0.000 2.645 692 G HA2 -0.320 3.644 3.960 0.006 0.000 0.246 692 G HA3 -0.320 3.644 3.960 0.006 0.000 0.246 692 G C 0.294 175.190 174.900 -0.007 0.000 1.322 692 G CA -0.020 45.077 45.100 -0.005 0.000 0.898 692 G HN 0.675 nan 8.290 nan 0.000 0.573 693 I N 1.173 121.738 120.570 -0.009 0.000 3.749 693 I HA 0.215 4.388 4.170 0.006 0.000 0.314 693 I C 1.153 177.261 176.117 -0.015 0.000 1.278 693 I CA 0.125 61.419 61.300 -0.009 0.000 1.158 693 I CB -0.487 37.508 38.000 -0.008 0.000 1.018 693 I HN 0.557 nan 8.210 nan 0.000 0.435 694 E N 4.346 124.534 120.200 -0.020 0.000 2.757 694 E HA -0.046 4.308 4.350 0.006 0.000 0.238 694 E C -2.005 174.574 176.600 -0.036 0.000 1.057 694 E CA -1.073 55.310 56.400 -0.028 0.000 0.952 694 E CB 0.417 30.097 29.700 -0.034 0.000 0.934 694 E HN 0.228 nan 8.360 nan 0.000 0.518 695 P HA 0.213 nan 4.420 nan 0.000 0.273 695 P C -0.637 176.632 177.300 -0.052 0.000 1.531 695 P CA -0.242 62.835 63.100 -0.039 0.000 1.027 695 P CB 0.015 31.703 31.700 -0.021 0.000 1.387 696 I N 1.409 121.931 120.570 -0.080 0.000 2.392 696 I HA 0.589 4.763 4.170 0.006 0.000 0.295 696 I C 0.299 176.340 176.117 -0.126 0.000 0.985 696 I CA -0.988 60.257 61.300 -0.091 0.000 1.221 696 I CB 1.764 39.705 38.000 -0.099 0.000 1.366 696 I HN 0.071 nan 8.210 nan 0.000 0.467 697 K N 5.440 125.783 120.400 -0.095 0.000 3.050 697 K HA 0.411 4.734 4.320 0.006 0.000 0.185 697 K C -1.522 175.046 176.600 -0.053 0.000 1.147 697 K CA -0.351 55.876 56.287 -0.100 0.000 0.916 697 K CB 0.625 33.119 32.500 -0.010 0.000 1.119 697 K HN 0.653 nan 8.250 nan 0.000 0.605 698 K N 1.727 122.070 120.400 -0.094 0.000 2.371 698 K HA 0.441 4.764 4.320 0.006 0.000 0.251 698 K C -0.990 175.647 176.600 0.063 0.000 0.934 698 K CA -0.924 55.379 56.287 0.027 0.000 0.798 698 K CB 2.236 34.794 32.500 0.097 0.000 1.204 698 K HN 0.535 nan 8.250 nan 0.000 0.427 699 E N 0.508 120.733 120.200 0.042 0.000 2.340 699 E HA 0.750 5.104 4.350 0.006 0.000 0.273 699 E C -0.678 175.641 176.600 -0.469 0.000 0.891 699 E CA -1.234 55.085 56.400 -0.135 0.000 0.757 699 E CB 2.191 31.977 29.700 0.143 0.000 1.231 699 E HN 0.636 nan 8.360 nan 0.000 0.439 700 G N 0.803 108.896 108.800 -1.179 0.000 2.682 700 G HA2 0.472 4.436 3.960 0.006 0.000 0.303 700 G HA3 0.472 4.436 3.960 0.006 0.000 0.303 700 G C -1.597 173.009 174.900 -0.489 0.000 1.341 700 G CA -0.465 44.209 45.100 -0.710 0.000 0.784 700 G HN 0.659 nan 8.290 nan 0.000 0.497 701 D N -0.841 119.514 120.400 -0.075 0.000 2.952 701 D HA 0.343 4.986 4.640 0.006 0.000 0.373 701 D C -0.334 176.023 176.300 0.095 0.000 1.360 701 D CA -0.147 53.870 54.000 0.028 0.000 0.788 701 D CB 0.517 41.304 40.800 -0.022 0.000 1.192 701 D HN 0.287 nan 8.370 nan 0.000 0.462 702 I N 0.499 121.212 120.570 0.238 0.000 2.534 702 I HA 0.256 4.429 4.170 0.006 0.000 0.288 702 I C 0.009 176.058 176.117 -0.113 0.000 1.077 702 I CA -0.690 60.662 61.300 0.087 0.000 1.051 702 I CB 2.101 40.178 38.000 0.129 0.000 1.234 702 I HN 0.084 nan 8.210 nan 0.000 0.425 703 M N 6.141 125.443 119.600 -0.498 0.000 3.742 703 M HA 0.041 4.525 4.480 0.006 0.000 0.197 703 M C 1.067 176.572 176.300 -1.324 0.000 1.417 703 M CA -0.185 54.249 55.300 -1.443 0.000 1.653 703 M CB -0.531 31.540 32.600 -0.882 0.000 1.079 703 M HN 0.600 nan 8.290 nan 0.000 0.558 704 Y N -0.691 119.140 120.300 -0.782 0.000 2.241 704 Y HA -0.236 4.318 4.550 0.006 0.000 0.286 704 Y C 1.703 177.403 175.900 -0.333 0.000 1.166 704 Y CA 1.295 59.163 58.100 -0.387 0.000 1.203 704 Y CB -1.323 37.053 38.460 -0.139 0.000 0.977 704 Y HN 0.622 nan 8.280 nan 0.000 0.529 705 W N 0.706 121.564 121.300 -0.737 0.000 2.342 705 W HA -0.003 4.661 4.660 0.006 0.000 0.297 705 W C 0.667 176.930 176.519 -0.427 0.000 1.213 705 W CA -0.233 56.805 57.345 -0.511 0.000 1.251 705 W CB -1.381 27.745 29.460 -0.556 0.000 1.136 705 W HN -0.084 nan 8.180 nan 0.000 0.526 706 L N 0.000 120.914 121.223 -0.516 0.000 2.949 706 L HA 0.000 4.344 4.340 0.006 0.000 0.249 706 L CA 0.000 54.673 54.840 -0.278 0.000 0.813 706 L CB 0.000 41.923 42.059 -0.227 0.000 0.961 706 L HN 0.000 nan 8.230 nan 0.000 0.502