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 2va9_1_A DATA FIRST_RESID 4 DATA SEQUENCE SELLVNTKSG KVMGTRVPVL SSHISAFLGI PFAEPPVGNM RFRRPEPKKP DATA SEQUENCE WSGVWNASTY PNNcQQYVDE QFPGFSGSEM WNPNREMSED cLYLNIWVPS DATA SEQUENCE PRPKSTTVMV WIYGGGFYSG SSTLDVYNGK YLAYTEEVVL VSLSYRVGAF DATA SEQUENCE GFLALHGSQE APGNVGLLDQ RMALQWVHDN IQFFGGDPKT VTIFGESAGG DATA SEQUENCE ASVGMHILSP GSRDLFRRAI LQSGSPNCPW ASVSVAEGRR RAVELGRNLN DATA SEQUENCE cNLNSDEELI HcLREKKPQE LIDVEWNVLP FDSIFRFSFV PVIDGEFFPT DATA SEQUENCE SLESMLNSGN FKKTQILLGV NKDEGSFFLL YGAPGFSKDS ESKISREDFM DATA SEQUENCE SGVKLSVPHA NDLGLDAVTL QYTDWMDDNN GIKNRDGLDD IVGDHNVIcP DATA SEQUENCE LMHFVNKYTK FGNGTYLYFF NHRASNLVWP EWMGVIHGYE IEFVFGLPLV DATA SEQUENCE KELNYTAEEE ALSRRIMHYW ATFAKTGNPN EPXXXXSKWP LFTTKEQKFI DATA SEQUENCE DLNTEPMKVH QRLRVQMcVF WNQFLPKLLN AT 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 4 S HA 0.000 nan 4.470 nan 0.000 0.327 4 S C 0.000 174.636 174.600 0.060 0.000 1.055 4 S CA 0.000 58.222 58.200 0.037 0.000 1.107 4 S CB 0.000 63.222 63.200 0.037 0.000 0.593 5 E N 2.787 123.027 120.200 0.067 0.000 2.160 5 E HA -0.086 4.264 4.350 0.000 0.000 0.195 5 E C 1.094 177.801 176.600 0.179 0.000 0.991 5 E CA 1.349 57.813 56.400 0.107 0.000 0.810 5 E CB -0.068 29.687 29.700 0.091 0.000 0.742 5 E HN 0.739 nan 8.360 nan 0.000 0.466 6 L N 0.847 122.146 121.223 0.127 0.000 2.558 6 L HA 0.142 4.482 4.340 0.000 0.000 0.225 6 L C 0.775 177.805 176.870 0.266 0.000 1.128 6 L CA -0.206 54.708 54.840 0.124 0.000 0.868 6 L CB 0.301 42.343 42.059 -0.028 0.000 1.006 6 L HN 0.228 nan 8.230 nan 0.000 0.454 7 L N 1.753 123.094 121.223 0.196 0.000 2.262 7 L HA 0.476 4.816 4.340 0.000 0.000 0.288 7 L C -0.951 175.980 176.870 0.102 0.000 1.035 7 L CA -0.044 54.899 54.840 0.172 0.000 0.820 7 L CB 1.459 43.576 42.059 0.097 0.000 1.204 7 L HN -0.264 nan 8.230 nan 0.000 0.424 8 V N 4.730 124.689 119.914 0.074 0.000 2.540 8 V HA 0.386 4.506 4.120 0.000 0.000 0.302 8 V C -0.316 175.678 176.094 -0.167 0.000 1.035 8 V CA -0.861 61.329 62.300 -0.182 0.000 0.873 8 V CB 2.245 33.682 31.823 -0.642 0.000 0.992 8 V HN 0.720 nan 8.190 nan 0.000 0.428 9 N N 2.739 121.275 118.700 -0.272 0.000 2.437 9 N HA 0.438 5.178 4.740 0.000 0.000 0.243 9 N C 0.150 175.337 175.510 -0.538 0.000 1.041 9 N CA -0.226 52.638 53.050 -0.310 0.000 0.940 9 N CB 1.182 39.476 38.487 -0.322 0.000 1.133 9 N HN 0.892 nan 8.380 nan 0.000 0.506 10 T N -1.463 112.907 114.554 -0.307 0.000 2.912 10 T HA 0.306 4.656 4.350 0.000 0.000 0.280 10 T C 1.013 175.532 174.700 -0.301 0.000 0.989 10 T CA -0.729 61.214 62.100 -0.261 0.000 0.995 10 T CB 1.301 70.276 68.868 0.179 0.000 1.077 10 T HN 0.269 nan 8.240 nan 0.000 0.531 11 K N 0.324 120.621 120.400 -0.172 0.000 2.442 11 K HA 0.008 4.328 4.320 0.000 0.000 0.198 11 K C 1.822 178.325 176.600 -0.161 0.000 1.044 11 K CA 0.776 56.982 56.287 -0.136 0.000 0.948 11 K CB -0.048 32.441 32.500 -0.018 0.000 0.762 11 K HN 0.459 nan 8.250 nan 0.000 0.472 12 S N -0.415 115.172 115.700 -0.188 0.000 2.511 12 S HA 0.201 4.671 4.470 0.000 0.000 0.214 12 S C 0.474 174.449 174.600 -1.041 0.000 0.997 12 S CA 0.181 58.168 58.200 -0.356 0.000 0.908 12 S CB 1.143 64.332 63.200 -0.017 0.000 0.803 12 S HN 0.527 nan 8.310 nan 0.000 0.504 13 G N 1.129 109.402 108.800 -0.878 0.000 2.369 13 G HA2 0.146 4.106 3.960 0.000 0.000 0.307 13 G HA3 0.146 4.106 3.960 0.000 0.000 0.307 13 G C -1.814 172.891 174.900 -0.324 0.000 1.327 13 G CA -1.173 43.310 45.100 -1.028 0.000 0.963 13 G HN 0.087 nan 8.290 nan 0.000 0.590 14 K N -0.707 119.699 120.400 0.010 0.000 2.237 14 K HA 0.599 4.919 4.320 0.000 0.000 0.270 14 K C -0.369 176.582 176.600 0.584 0.000 1.015 14 K CA -0.438 56.001 56.287 0.254 0.000 0.949 14 K CB 1.774 34.386 32.500 0.186 0.000 0.976 14 K HN 0.337 nan 8.250 nan 0.000 0.472 15 V N 3.050 123.230 119.914 0.443 0.000 2.709 15 V HA 0.332 4.452 4.120 0.000 0.000 0.308 15 V C -1.058 175.306 176.094 0.450 0.000 1.062 15 V CA -0.916 61.703 62.300 0.532 0.000 0.901 15 V CB 1.810 33.978 31.823 0.575 0.000 1.003 15 V HN 0.718 nan 8.190 nan 0.000 0.425 16 M N 4.294 124.147 119.600 0.423 0.000 2.046 16 M HA 0.729 5.209 4.480 0.000 0.000 0.309 16 M C 0.196 176.620 176.300 0.207 0.000 0.935 16 M CA -0.017 55.455 55.300 0.287 0.000 0.915 16 M CB 0.876 33.579 32.600 0.172 0.000 1.474 16 M HN 0.718 nan 8.290 nan 0.000 0.415 17 G N 1.607 110.436 108.800 0.048 0.000 2.485 17 G HA2 0.542 4.502 3.960 0.000 0.000 0.260 17 G HA3 0.542 4.502 3.960 0.000 0.000 0.260 17 G C -0.911 173.785 174.900 -0.340 0.000 1.459 17 G CA -0.082 44.713 45.100 -0.510 0.000 1.060 17 G HN 0.704 nan 8.290 nan 0.000 0.546 18 T N -1.577 112.721 114.554 -0.427 0.000 3.193 18 T HA 0.426 4.776 4.350 0.000 0.000 0.332 18 T C -0.712 173.867 174.700 -0.201 0.000 1.208 18 T CA -0.658 61.300 62.100 -0.236 0.000 1.080 18 T CB 1.249 70.010 68.868 -0.178 0.000 1.180 18 T HN 0.598 nan 8.240 nan 0.000 0.469 19 R N 3.355 123.787 120.500 -0.114 0.000 2.370 19 R HA 0.555 4.896 4.340 0.000 0.000 0.309 19 R C -0.078 176.232 176.300 0.017 0.000 1.059 19 R CA -0.293 55.781 56.100 -0.042 0.000 0.981 19 R CB 0.124 30.398 30.300 -0.044 0.000 0.972 19 R HN 0.558 nan 8.270 nan 0.000 0.437 20 V N 2.874 122.822 119.914 0.057 0.000 2.715 20 V HA 0.709 4.829 4.120 0.000 0.000 0.310 20 V C -2.481 173.640 176.094 0.045 0.000 1.054 20 V CA -2.666 59.667 62.300 0.054 0.000 0.928 20 V CB 1.775 33.615 31.823 0.028 0.000 1.007 20 V HN 0.759 nan 8.190 nan 0.000 0.437 21 P HA 0.419 nan 4.420 nan 0.000 0.278 21 P C -0.950 176.172 177.300 -0.297 0.000 1.238 21 P CA -0.209 62.686 63.100 -0.342 0.000 0.794 21 P CB 2.016 33.551 31.700 -0.274 0.000 0.955 22 V N 5.565 125.236 119.914 -0.404 0.000 2.671 22 V HA 0.167 4.287 4.120 0.000 0.000 0.292 22 V C -0.180 175.644 176.094 -0.450 0.000 1.115 22 V CA -0.834 61.226 62.300 -0.400 0.000 0.918 22 V CB 0.560 32.110 31.823 -0.456 0.000 1.036 22 V HN 0.504 nan 8.190 nan 0.000 0.445 23 L N 6.232 127.323 121.223 -0.220 0.000 3.887 23 L HA -0.174 4.166 4.340 0.000 0.000 0.546 23 L C 0.834 177.582 176.870 -0.204 0.000 1.196 23 L CA 0.933 55.678 54.840 -0.158 0.000 0.777 23 L CB -1.549 40.446 42.059 -0.106 0.000 1.346 23 L HN 1.617 nan 8.230 nan 0.000 0.810 24 S N -1.248 114.343 115.700 -0.181 0.000 3.484 24 S HA -0.117 4.353 4.470 0.000 0.000 0.384 24 S C 0.047 174.541 174.600 -0.177 0.000 0.932 24 S CA 1.021 59.131 58.200 -0.150 0.000 1.293 24 S CB -0.883 62.281 63.200 -0.061 0.000 0.919 24 S HN 1.439 nan 8.310 nan 0.000 0.540 25 S N 0.142 115.634 115.700 -0.347 0.000 2.636 25 S HA 0.668 5.138 4.470 0.000 0.000 0.266 25 S C -1.698 172.573 174.600 -0.548 0.000 1.116 25 S CA -0.401 57.644 58.200 -0.259 0.000 0.893 25 S CB 0.426 63.515 63.200 -0.185 0.000 1.171 25 S HN 1.055 nan 8.310 nan 0.000 0.482 26 H N -0.073 118.954 119.070 -0.073 0.000 2.977 26 H HA 0.876 5.432 4.556 0.000 0.000 0.350 26 H C -0.470 174.884 175.328 0.043 0.000 1.238 26 H CA -0.109 55.916 56.048 -0.039 0.000 1.124 26 H CB 1.290 31.045 29.762 -0.011 0.000 1.866 26 H HN 0.812 nan 8.280 nan 0.000 0.550 27 I N -2.713 117.976 120.570 0.199 0.000 3.149 27 I HA 0.637 4.807 4.170 0.000 0.000 0.310 27 I C -1.166 175.042 176.117 0.152 0.000 1.343 27 I CA -1.021 60.403 61.300 0.206 0.000 0.955 27 I CB 2.472 40.624 38.000 0.253 0.000 1.309 27 I HN 0.405 nan 8.210 nan 0.000 0.478 28 S N 1.624 117.414 115.700 0.151 0.000 2.562 28 S HA 0.818 5.288 4.470 0.000 0.000 0.275 28 S C -0.222 174.352 174.600 -0.044 0.000 1.281 28 S CA -0.401 57.803 58.200 0.006 0.000 1.045 28 S CB 1.435 64.678 63.200 0.072 0.000 0.962 28 S HN 0.885 nan 8.310 nan 0.000 0.503 29 A N 2.423 125.042 122.820 -0.336 0.000 2.385 29 A HA 0.712 5.032 4.320 0.000 0.000 0.290 29 A C -1.265 175.978 177.584 -0.567 0.000 1.094 29 A CA -0.643 51.122 52.037 -0.453 0.000 0.729 29 A CB 0.347 19.084 19.000 -0.439 0.000 1.194 29 A HN 0.635 nan 8.150 nan 0.000 0.442 30 F N 3.091 122.893 119.950 -0.247 0.000 2.332 30 F HA 0.503 5.031 4.527 0.000 0.000 0.368 30 F C 0.016 175.677 175.800 -0.230 0.000 1.110 30 F CA -0.437 57.501 58.000 -0.102 0.000 1.087 30 F CB 1.164 40.222 39.000 0.097 0.000 1.235 30 F HN 0.360 nan 8.300 nan 0.000 0.470 31 L N 2.294 123.460 121.223 -0.094 0.000 2.322 31 L HA 0.671 5.011 4.340 0.000 0.000 0.279 31 L C 0.972 177.863 176.870 0.036 0.000 1.036 31 L CA -1.051 53.717 54.840 -0.120 0.000 0.807 31 L CB 1.500 43.380 42.059 -0.298 0.000 1.226 31 L HN 0.840 nan 8.230 nan 0.000 0.433 32 G N 3.080 111.927 108.800 0.079 0.000 2.295 32 G HA2 -0.263 3.697 3.960 0.000 0.000 0.287 32 G HA3 -0.263 3.697 3.960 0.000 0.000 0.287 32 G C -0.142 174.826 174.900 0.113 0.000 1.055 32 G CA -0.237 44.911 45.100 0.081 0.000 0.922 32 G HN 0.478 nan 8.290 nan 0.000 0.503 33 I N 2.178 122.737 120.570 -0.017 0.000 2.396 33 I HA 0.217 4.388 4.170 0.000 0.000 0.289 33 I C -1.347 174.542 176.117 -0.380 0.000 1.056 33 I CA -2.170 58.940 61.300 -0.316 0.000 1.365 33 I CB 1.192 39.002 38.000 -0.316 0.000 1.407 33 I HN 0.020 nan 8.210 nan 0.000 0.509 34 P HA 0.015 nan 4.420 nan 0.000 0.276 34 P C -0.280 176.655 177.300 -0.609 0.000 1.235 34 P CA 0.067 62.655 63.100 -0.853 0.000 0.772 34 P CB 0.570 31.637 31.700 -1.055 0.000 0.871 35 F N 1.255 120.862 119.950 -0.572 0.000 2.746 35 F HA 0.728 5.255 4.527 0.000 0.000 0.320 35 F C -0.033 175.661 175.800 -0.176 0.000 1.097 35 F CA -0.915 56.821 58.000 -0.440 0.000 1.195 35 F CB 0.090 38.786 39.000 -0.506 0.000 1.056 35 F HN 0.367 nan 8.300 nan 0.000 0.562 36 A N -0.021 122.467 122.820 -0.554 0.000 2.594 36 A HA 0.610 4.930 4.320 0.000 0.000 0.291 36 A C -0.990 176.397 177.584 -0.328 0.000 1.105 36 A CA -0.774 51.066 52.037 -0.327 0.000 0.694 36 A CB 1.027 19.785 19.000 -0.403 0.000 1.291 36 A HN 0.056 nan 8.150 nan 0.000 0.410 37 E N 1.011 121.113 120.200 -0.163 0.000 2.338 37 E HA 0.298 4.648 4.350 0.000 0.000 0.272 37 E C -2.365 174.136 176.600 -0.166 0.000 1.029 37 E CA -1.476 54.852 56.400 -0.121 0.000 0.872 37 E CB 0.336 30.011 29.700 -0.041 0.000 1.015 37 E HN 0.219 nan 8.360 nan 0.000 0.417 38 P HA -0.019 nan 4.420 nan 0.000 0.258 38 P C -2.173 175.067 177.300 -0.100 0.000 1.187 38 P CA -0.591 62.431 63.100 -0.130 0.000 0.767 38 P CB -0.043 31.621 31.700 -0.060 0.000 0.770 39 P HA -0.014 nan 4.420 nan 0.000 0.232 39 P C -0.178 177.067 177.300 -0.091 0.000 1.738 39 P CA 0.206 63.252 63.100 -0.090 0.000 0.948 39 P CB -0.148 31.498 31.700 -0.091 0.000 1.943 40 V N -2.873 116.997 119.914 -0.074 0.000 3.093 40 V HA 0.871 4.991 4.120 0.000 0.000 0.320 40 V C 1.124 177.183 176.094 -0.058 0.000 1.093 40 V CA 0.144 62.402 62.300 -0.071 0.000 1.016 40 V CB 0.677 32.467 31.823 -0.055 0.000 1.096 40 V HN 0.506 nan 8.190 nan 0.000 0.452 41 G N 1.931 110.699 108.800 -0.053 0.000 2.634 41 G HA2 -0.417 3.544 3.960 0.000 0.000 0.318 41 G HA3 -0.417 3.544 3.960 0.000 0.000 0.318 41 G C 0.671 175.546 174.900 -0.041 0.000 1.207 41 G CA 1.230 46.307 45.100 -0.039 0.000 0.987 41 G HN 1.088 nan 8.290 nan 0.000 0.547 42 N N 0.786 119.469 118.700 -0.028 0.000 2.512 42 N HA 0.127 4.867 4.740 0.000 0.000 0.183 42 N C 2.167 177.671 175.510 -0.009 0.000 1.073 42 N CA 1.108 54.150 53.050 -0.014 0.000 0.911 42 N CB -0.095 38.383 38.487 -0.014 0.000 0.964 42 N HN 0.482 nan 8.380 nan 0.000 0.447 43 M N -0.439 119.143 119.600 -0.031 0.000 2.495 43 M HA 0.083 4.563 4.480 0.000 0.000 0.237 43 M C 0.488 176.744 176.300 -0.073 0.000 1.131 43 M CA 0.015 55.295 55.300 -0.033 0.000 1.032 43 M CB -0.092 32.485 32.600 -0.038 0.000 1.513 43 M HN 0.025 nan 8.290 nan 0.000 0.488 44 R N 0.674 121.087 120.500 -0.144 0.000 2.489 44 R HA 0.042 4.382 4.340 0.000 0.000 0.287 44 R C -0.303 175.790 176.300 -0.344 0.000 1.053 44 R CA 0.479 56.352 56.100 -0.379 0.000 1.036 44 R CB 0.234 30.184 30.300 -0.584 0.000 0.966 44 R HN 0.196 nan 8.270 nan 0.000 0.432 45 F N -0.501 119.449 119.950 -0.001 0.000 2.590 45 F HA -0.280 4.247 4.527 0.000 0.000 0.471 45 F C 0.507 176.291 175.800 -0.028 0.000 0.551 45 F CA 0.788 58.764 58.000 -0.040 0.000 1.228 45 F CB -1.315 37.651 39.000 -0.056 0.000 1.862 45 F HN 0.616 nan 8.300 nan 0.000 0.271 46 R N 1.268 121.834 120.500 0.110 0.000 2.500 46 R HA 0.520 4.860 4.340 0.000 0.000 0.275 46 R C 0.621 176.948 176.300 0.045 0.000 1.051 46 R CA -0.885 55.260 56.100 0.075 0.000 1.088 46 R CB 0.717 31.049 30.300 0.054 0.000 1.063 46 R HN 0.104 nan 8.270 nan 0.000 0.511 47 R N 2.303 122.832 120.500 0.048 0.000 2.698 47 R HA 0.018 4.358 4.340 0.000 0.000 0.266 47 R C -1.822 174.503 176.300 0.041 0.000 1.026 47 R CA -0.766 55.362 56.100 0.047 0.000 1.102 47 R CB -0.146 30.188 30.300 0.057 0.000 0.978 47 R HN 0.416 nan 8.270 nan 0.000 0.436 48 P HA 0.034 nan 4.420 nan 0.000 0.272 48 P C -0.901 176.430 177.300 0.050 0.000 1.230 48 P CA 0.002 63.129 63.100 0.045 0.000 0.788 48 P CB 0.817 32.571 31.700 0.091 0.000 0.949 49 E N 1.683 121.902 120.200 0.032 0.000 2.210 49 E HA 0.397 4.748 4.350 0.000 0.000 0.266 49 E C -2.354 174.276 176.600 0.051 0.000 0.883 49 E CA -2.923 53.501 56.400 0.040 0.000 0.761 49 E CB 1.061 30.775 29.700 0.024 0.000 1.156 49 E HN 0.299 nan 8.360 nan 0.000 0.412 50 P HA -0.047 nan 4.420 nan 0.000 0.265 50 P C -0.655 176.703 177.300 0.097 0.000 1.187 50 P CA -0.233 62.940 63.100 0.120 0.000 0.766 50 P CB 0.511 32.290 31.700 0.132 0.000 0.820 51 K N 3.614 124.080 120.400 0.110 0.000 2.447 51 K HA 0.011 4.331 4.320 0.000 0.000 0.281 51 K C 0.049 176.754 176.600 0.176 0.000 1.031 51 K CA 0.473 56.822 56.287 0.103 0.000 1.019 51 K CB -0.113 32.442 32.500 0.092 0.000 0.918 51 K HN 0.231 nan 8.250 nan 0.000 0.476 52 K N 5.903 126.401 120.400 0.163 0.000 2.350 52 K HA 0.139 4.459 4.320 0.000 0.000 0.279 52 K C -2.197 174.545 176.600 0.236 0.000 1.027 52 K CA -1.669 54.714 56.287 0.161 0.000 0.969 52 K CB 0.432 33.012 32.500 0.133 0.000 0.954 52 K HN 0.520 nan 8.250 nan 0.000 0.474 53 P HA -0.092 nan 4.420 nan 0.000 0.265 53 P C -1.241 176.132 177.300 0.121 0.000 1.187 53 P CA 0.152 63.236 63.100 -0.026 0.000 0.766 53 P CB 0.251 31.887 31.700 -0.107 0.000 0.820 54 W N 1.547 122.928 121.300 0.136 0.000 2.655 54 W HA 0.704 5.364 4.660 0.000 0.000 0.358 54 W C -0.777 175.819 176.519 0.129 0.000 1.100 54 W CA -0.905 56.535 57.345 0.159 0.000 1.195 54 W CB 0.221 29.845 29.460 0.273 0.000 1.403 54 W HN 0.332 nan 8.180 nan 0.000 0.589 55 S N 1.236 117.107 115.700 0.285 0.000 2.638 55 S HA 0.899 5.369 4.470 0.000 0.000 0.298 55 S C 0.271 175.043 174.600 0.286 0.000 1.111 55 S CA -0.142 58.152 58.200 0.157 0.000 1.027 55 S CB 1.068 64.329 63.200 0.102 0.000 1.064 55 S HN 2.083 nan 8.310 nan 0.000 0.525 56 G N -0.176 108.743 108.800 0.199 0.000 2.660 56 G HA2 -0.062 3.898 3.960 0.000 0.000 0.215 56 G HA3 -0.062 3.898 3.960 0.000 0.000 0.215 56 G C -0.992 174.104 174.900 0.325 0.000 1.345 56 G CA -0.469 44.760 45.100 0.214 0.000 0.877 56 G HN 1.556 nan 8.290 nan 0.000 0.549 57 V N 0.970 121.041 119.914 0.260 0.000 2.347 57 V HA 0.446 4.566 4.120 0.000 0.000 0.280 57 V C 0.456 176.718 176.094 0.279 0.000 1.021 57 V CA -0.526 61.956 62.300 0.303 0.000 0.847 57 V CB 1.550 33.482 31.823 0.182 0.000 0.990 57 V HN 0.692 nan 8.190 nan 0.000 0.444 58 W N 5.480 126.926 121.300 0.243 0.000 2.253 58 W HA 0.167 4.827 4.660 0.000 0.000 0.322 58 W C 0.306 176.844 176.519 0.033 0.000 1.342 58 W CA -0.291 57.046 57.345 -0.014 0.000 1.218 58 W CB 0.702 30.029 29.460 -0.222 0.000 1.205 58 W HN 0.599 nan 8.180 nan 0.000 0.551 59 N N 4.631 123.183 118.700 -0.247 0.000 2.402 59 N HA 0.202 4.942 4.740 0.000 0.000 0.252 59 N C -0.478 175.120 175.510 0.147 0.000 1.118 59 N CA 0.208 53.221 53.050 -0.061 0.000 0.945 59 N CB 0.867 39.239 38.487 -0.190 0.000 1.147 59 N HN 0.384 nan 8.380 nan 0.000 0.495 60 A N 2.794 125.773 122.820 0.266 0.000 3.106 60 A HA 0.180 4.501 4.320 0.000 0.000 0.306 60 A C 1.081 178.699 177.584 0.056 0.000 1.192 60 A CA -0.399 51.797 52.037 0.265 0.000 0.994 60 A CB -0.429 18.803 19.000 0.386 0.000 1.107 60 A HN 0.625 nan 8.150 nan 0.000 0.585 61 S N -0.789 114.904 115.700 -0.011 0.000 2.524 61 S HA 0.168 4.639 4.470 0.000 0.000 0.215 61 S C 0.729 175.250 174.600 -0.133 0.000 0.986 61 S CA 0.715 58.858 58.200 -0.094 0.000 0.911 61 S CB -0.163 62.989 63.200 -0.080 0.000 0.805 61 S HN 0.896 nan 8.310 nan 0.000 0.501 62 T N -1.028 113.464 114.554 -0.104 0.000 2.903 62 T HA 0.626 4.976 4.350 0.000 0.000 0.299 62 T C -0.883 173.780 174.700 -0.062 0.000 1.093 62 T CA -0.734 61.294 62.100 -0.119 0.000 1.002 62 T CB 0.659 69.485 68.868 -0.070 0.000 1.127 62 T HN 0.069 nan 8.240 nan 0.000 0.488 63 Y N 2.968 123.242 120.300 -0.044 0.000 2.683 63 Y HA 0.300 4.850 4.550 0.000 0.000 0.340 63 Y C -1.304 174.538 175.900 -0.098 0.000 1.245 63 Y CA -1.109 56.966 58.100 -0.042 0.000 1.485 63 Y CB 0.089 38.544 38.460 -0.007 0.000 1.328 63 Y HN 0.560 nan 8.280 nan 0.000 0.603 64 P HA 0.122 nan 4.420 nan 0.000 0.297 64 P C -0.674 176.551 177.300 -0.125 0.000 1.307 64 P CA -0.552 62.429 63.100 -0.198 0.000 0.773 64 P CB 0.984 32.436 31.700 -0.414 0.000 1.265 65 N N -0.008 118.588 118.700 -0.174 0.000 2.399 65 N HA 0.125 4.865 4.740 0.000 0.000 0.250 65 N C 0.013 175.488 175.510 -0.058 0.000 1.272 65 N CA 0.156 53.150 53.050 -0.095 0.000 0.928 65 N CB -0.161 38.279 38.487 -0.079 0.000 1.158 65 N HN 0.406 nan 8.380 nan 0.000 0.463 66 N N -0.814 117.842 118.700 -0.073 0.000 2.466 66 N HA 0.315 5.055 4.740 0.000 0.000 0.294 66 N C -0.450 175.010 175.510 -0.084 0.000 1.129 66 N CA -0.686 52.313 53.050 -0.085 0.000 0.931 66 N CB 1.117 39.531 38.487 -0.122 0.000 1.193 66 N HN 0.396 nan 8.380 nan 0.000 0.500 67 c N 1.128 119.676 118.600 -0.087 0.000 2.700 67 c HA 0.059 4.629 4.570 0.000 0.000 0.397 67 c C 0.586 174.580 174.090 -0.160 0.000 1.301 67 c CA -0.585 55.674 56.329 -0.117 0.000 2.219 67 c CB 0.005 42.467 42.510 -0.079 0.000 2.699 67 c HN 0.535 nan 8.230 nan 0.000 0.669 68 Q N 2.472 122.093 119.800 -0.298 0.000 2.274 68 Q HA 0.201 4.542 4.340 0.000 0.000 0.280 68 Q C -0.057 175.886 176.000 -0.095 0.000 1.047 68 Q CA 0.951 56.562 55.803 -0.320 0.000 0.907 68 Q CB 0.358 28.627 28.738 -0.782 0.000 1.171 68 Q HN 0.872 nan 8.270 nan 0.000 0.381 69 Q N 1.474 121.306 119.800 0.053 0.000 2.575 69 Q HA 0.331 4.672 4.340 0.000 0.000 0.290 69 Q C -1.266 174.905 176.000 0.285 0.000 0.963 69 Q CA -1.049 54.883 55.803 0.216 0.000 0.783 69 Q CB 0.883 29.709 28.738 0.147 0.000 1.467 69 Q HN 0.488 nan 8.270 nan 0.000 0.402 70 Y N 1.175 121.665 120.300 0.317 0.000 2.511 70 Y HA 0.365 4.915 4.550 0.000 0.000 0.332 70 Y C -1.068 175.012 175.900 0.299 0.000 1.177 70 Y CA 0.151 58.465 58.100 0.358 0.000 1.422 70 Y CB 0.872 39.661 38.460 0.548 0.000 1.271 70 Y HN 0.440 nan 8.280 nan 0.000 0.550 71 V N 6.576 126.258 119.914 -0.385 0.000 2.459 71 V HA 0.129 4.249 4.120 0.000 0.000 0.295 71 V C -0.565 175.292 176.094 -0.396 0.000 1.029 71 V CA -1.004 61.160 62.300 -0.228 0.000 0.874 71 V CB 1.529 33.280 31.823 -0.119 0.000 0.985 71 V HN 0.799 nan 8.190 nan 0.000 0.438 72 D N 3.389 123.791 120.400 0.003 0.000 2.383 72 D HA 0.161 4.801 4.640 0.000 0.000 0.252 72 D C 0.597 176.971 176.300 0.123 0.000 1.166 72 D CA 0.283 54.392 54.000 0.181 0.000 0.879 72 D CB 0.928 41.967 40.800 0.398 0.000 1.164 72 D HN 0.681 nan 8.370 nan 0.000 0.462 73 E N 2.397 122.647 120.200 0.083 0.000 2.714 73 E HA -0.016 4.334 4.350 0.000 0.000 0.219 73 E C 1.130 177.725 176.600 -0.008 0.000 0.979 73 E CA -0.298 56.128 56.400 0.043 0.000 1.092 73 E CB 0.574 30.269 29.700 -0.009 0.000 1.049 73 E HN 0.465 nan 8.360 nan 0.000 0.487 74 Q N -0.150 119.618 119.800 -0.053 0.000 2.077 74 Q HA -0.115 4.226 4.340 0.000 0.000 0.206 74 Q C 0.084 175.711 176.000 -0.623 0.000 0.989 74 Q CA 1.367 56.889 55.803 -0.467 0.000 0.853 74 Q CB 0.053 28.282 28.738 -0.850 0.000 0.907 74 Q HN 0.202 nan 8.270 nan 0.000 0.418 75 F N 0.441 120.466 119.950 0.125 0.000 2.453 75 F HA 0.359 4.886 4.527 0.000 0.000 0.358 75 F C -2.077 173.804 175.800 0.136 0.000 1.129 75 F CA -2.894 55.161 58.000 0.090 0.000 1.200 75 F CB 0.951 40.005 39.000 0.089 0.000 1.431 75 F HN -0.149 nan 8.300 nan 0.000 0.503 76 P HA 0.152 nan 4.420 nan 0.000 0.261 76 P C 1.030 178.416 177.300 0.142 0.000 1.183 76 P CA 1.232 64.412 63.100 0.134 0.000 0.761 76 P CB 0.787 32.530 31.700 0.072 0.000 0.785 77 G N 2.991 111.859 108.800 0.113 0.000 2.304 77 G HA2 -0.313 3.647 3.960 0.000 0.000 0.252 77 G HA3 -0.313 3.647 3.960 0.000 0.000 0.252 77 G C 0.144 175.106 174.900 0.104 0.000 1.014 77 G CA -0.335 44.813 45.100 0.080 0.000 0.619 77 G HN 0.543 nan 8.290 nan 0.000 0.525 78 F N 3.622 123.566 119.950 -0.010 0.000 2.533 78 F HA 0.454 4.981 4.527 0.000 0.000 0.378 78 F C 1.748 177.488 175.800 -0.100 0.000 1.070 78 F CA 0.008 57.950 58.000 -0.096 0.000 1.172 78 F CB 0.928 39.854 39.000 -0.123 0.000 1.085 78 F HN 0.299 nan 8.300 nan 0.000 0.552 79 S N 3.125 118.439 115.700 -0.644 0.000 2.447 79 S HA -0.070 4.400 4.470 0.000 0.000 0.233 79 S C 2.148 176.289 174.600 -0.764 0.000 1.006 79 S CA 0.702 58.553 58.200 -0.581 0.000 0.957 79 S CB -0.908 62.029 63.200 -0.437 0.000 0.773 79 S HN 0.789 nan 8.310 nan 0.000 0.507 80 G N 1.645 109.457 108.800 -1.647 0.000 2.422 80 G HA2 -0.095 3.865 3.960 0.000 0.000 0.218 80 G HA3 -0.095 3.865 3.960 0.000 0.000 0.218 80 G C 1.658 176.696 174.900 0.230 0.000 1.140 80 G CA 1.040 45.530 45.100 -1.017 0.000 0.775 80 G HN 0.775 nan 8.290 nan 0.000 0.545 81 S N -0.418 115.399 115.700 0.195 0.000 2.499 81 S HA 0.163 4.633 4.470 0.000 0.000 0.225 81 S C 1.808 176.647 174.600 0.399 0.000 1.050 81 S CA 0.760 59.427 58.200 0.778 0.000 0.928 81 S CB 0.252 64.061 63.200 1.015 0.000 0.803 81 S HN 0.227 nan 8.310 nan 0.000 0.506 82 E N 2.546 122.811 120.200 0.108 0.000 2.110 82 E HA -0.062 4.288 4.350 0.000 0.000 0.193 82 E C 2.125 178.645 176.600 -0.134 0.000 0.988 82 E CA 1.529 57.933 56.400 0.007 0.000 0.804 82 E CB -0.564 29.101 29.700 -0.058 0.000 0.745 82 E HN 0.824 nan 8.360 nan 0.000 0.458 83 M N -1.942 117.461 119.600 -0.328 0.000 2.623 83 M HA -0.094 4.386 4.480 0.000 0.000 0.258 83 M C 0.807 176.676 176.300 -0.719 0.000 1.067 83 M CA 1.327 56.269 55.300 -0.596 0.000 1.068 83 M CB -0.380 31.721 32.600 -0.832 0.000 1.409 83 M HN 0.060 nan 8.290 nan 0.000 0.504 84 W N 0.624 121.874 121.300 -0.083 0.000 3.058 84 W HA 0.301 4.962 4.660 0.000 0.000 0.306 84 W C 0.390 176.839 176.519 -0.117 0.000 1.188 84 W CA -0.969 56.300 57.345 -0.126 0.000 1.651 84 W CB 0.029 29.445 29.460 -0.074 0.000 1.051 84 W HN 0.087 nan 8.180 nan 0.000 0.592 85 N N 1.527 120.271 118.700 0.074 0.000 2.483 85 N HA 0.167 4.907 4.740 0.000 0.000 0.269 85 N C -2.479 172.997 175.510 -0.056 0.000 1.209 85 N CA -1.427 51.641 53.050 0.030 0.000 0.969 85 N CB -0.022 38.489 38.487 0.039 0.000 1.173 85 N HN -0.379 nan 8.380 nan 0.000 0.475 86 P HA 0.027 nan 4.420 nan 0.000 0.262 86 P C 0.246 177.486 177.300 -0.099 0.000 1.182 86 P CA 0.100 63.139 63.100 -0.101 0.000 0.761 86 P CB 0.300 31.951 31.700 -0.082 0.000 0.795 87 N N 2.574 121.199 118.700 -0.126 0.000 2.214 87 N HA 0.067 4.807 4.740 0.000 0.000 0.214 87 N C 0.034 175.494 175.510 -0.083 0.000 1.132 87 N CA -0.041 52.944 53.050 -0.108 0.000 0.856 87 N CB 0.360 38.766 38.487 -0.135 0.000 1.020 87 N HN 0.165 nan 8.380 nan 0.000 0.509 88 R N -0.103 120.347 120.500 -0.084 0.000 2.869 88 R HA 0.347 4.688 4.340 0.000 0.000 0.263 88 R C -0.648 175.614 176.300 -0.063 0.000 1.066 88 R CA -0.855 55.206 56.100 -0.064 0.000 0.960 88 R CB 0.105 30.366 30.300 -0.066 0.000 1.221 88 R HN 0.072 nan 8.270 nan 0.000 0.474 89 E N 1.130 121.296 120.200 -0.057 0.000 2.414 89 E HA 0.042 4.392 4.350 0.000 0.000 0.263 89 E C -0.385 176.175 176.600 -0.066 0.000 1.000 89 E CA 0.395 56.761 56.400 -0.056 0.000 0.914 89 E CB 0.480 30.148 29.700 -0.053 0.000 0.948 89 E HN 0.295 nan 8.360 nan 0.000 0.444 90 M N 2.788 122.349 119.600 -0.066 0.000 2.249 90 M HA 0.282 4.763 4.480 0.000 0.000 0.351 90 M C -0.259 175.986 176.300 -0.091 0.000 1.180 90 M CA -0.084 55.167 55.300 -0.082 0.000 1.127 90 M CB 1.401 33.953 32.600 -0.079 0.000 1.546 90 M HN 0.488 nan 8.290 nan 0.000 0.461 91 S N 0.740 116.373 115.700 -0.112 0.000 2.552 91 S HA 0.224 4.694 4.470 0.000 0.000 0.272 91 S C -0.025 174.480 174.600 -0.157 0.000 1.150 91 S CA -0.694 57.437 58.200 -0.116 0.000 0.849 91 S CB 1.442 64.602 63.200 -0.066 0.000 1.113 91 S HN 0.830 nan 8.310 nan 0.000 0.458 92 E N 0.820 120.910 120.200 -0.183 0.000 2.347 92 E HA -0.055 4.295 4.350 0.000 0.000 0.196 92 E C -0.328 176.203 176.600 -0.114 0.000 1.008 92 E CA 0.484 56.756 56.400 -0.213 0.000 0.852 92 E CB 0.110 29.685 29.700 -0.209 0.000 0.783 92 E HN 0.514 nan 8.360 nan 0.000 0.505 93 D N 0.388 120.757 120.400 -0.051 0.000 2.517 93 D HA 0.004 4.644 4.640 0.000 0.000 0.220 93 D C 0.013 176.404 176.300 0.151 0.000 1.158 93 D CA -0.309 53.708 54.000 0.027 0.000 0.992 93 D CB -0.089 40.751 40.800 0.067 0.000 1.058 93 D HN 0.131 nan 8.370 nan 0.000 0.516 94 c N 2.113 120.767 118.600 0.090 0.000 3.772 94 c HA 0.392 4.963 4.570 0.000 0.000 0.293 94 c C 0.660 174.838 174.090 0.146 0.000 1.659 94 c CA -0.692 55.749 56.329 0.187 0.000 1.810 94 c CB -1.302 41.234 42.510 0.044 0.000 3.059 94 c HN 0.403 nan 8.230 nan 0.000 0.617 95 L N 2.589 123.664 121.223 -0.248 0.000 2.395 95 L HA 0.410 4.750 4.340 0.000 0.000 0.268 95 L C -0.874 175.327 176.870 -1.115 0.000 1.223 95 L CA 0.525 54.972 54.840 -0.655 0.000 1.093 95 L CB -0.662 40.846 42.059 -0.920 0.000 1.349 95 L HN 0.372 nan 8.230 nan 0.000 0.427 96 Y N 2.021 122.173 120.300 -0.245 0.000 2.609 96 Y HA 0.678 5.228 4.550 0.000 0.000 0.342 96 Y C -0.157 175.864 175.900 0.202 0.000 1.058 96 Y CA -1.324 56.711 58.100 -0.108 0.000 1.055 96 Y CB 1.902 40.308 38.460 -0.089 0.000 1.292 96 Y HN 0.192 nan 8.280 nan 0.000 0.476 97 L N -0.207 121.170 121.223 0.257 0.000 2.350 97 L HA 0.770 5.110 4.340 0.000 0.000 0.260 97 L C -1.280 175.636 176.870 0.076 0.000 1.015 97 L CA -1.145 53.792 54.840 0.162 0.000 0.821 97 L CB 1.821 43.877 42.059 -0.005 0.000 1.370 97 L HN 0.467 nan 8.230 nan 0.000 0.416 98 N N 1.601 120.372 118.700 0.118 0.000 2.319 98 N HA 0.761 5.501 4.740 0.000 0.000 0.305 98 N C -1.247 174.242 175.510 -0.035 0.000 1.103 98 N CA -0.269 52.781 53.050 -0.001 0.000 0.815 98 N CB 2.703 41.214 38.487 0.040 0.000 1.288 98 N HN 0.661 nan 8.380 nan 0.000 0.493 99 I N 0.138 120.596 120.570 -0.187 0.000 2.619 99 I HA 0.389 4.560 4.170 0.000 0.000 0.292 99 I C -0.942 175.149 176.117 -0.044 0.000 1.100 99 I CA -0.706 60.590 61.300 -0.006 0.000 1.043 99 I CB 2.483 40.436 38.000 -0.078 0.000 1.239 99 I HN 0.235 nan 8.210 nan 0.000 0.420 100 W N 5.614 127.069 121.300 0.258 0.000 2.471 100 W HA 0.578 5.239 4.660 0.000 0.000 0.318 100 W C -1.125 175.549 176.519 0.258 0.000 1.034 100 W CA -0.653 56.836 57.345 0.239 0.000 1.224 100 W CB 2.195 31.761 29.460 0.177 0.000 1.335 100 W HN 0.075 nan 8.180 nan 0.000 0.452 101 V N 5.521 125.715 119.914 0.467 0.000 2.448 101 V HA 0.321 4.441 4.120 0.000 0.000 0.295 101 V C -1.753 174.538 176.094 0.328 0.000 1.025 101 V CA -2.277 60.264 62.300 0.401 0.000 0.859 101 V CB 1.844 33.961 31.823 0.490 0.000 0.988 101 V HN 0.248 nan 8.190 nan 0.000 0.431 102 P HA 0.115 nan 4.420 nan 0.000 0.271 102 P C -0.465 176.962 177.300 0.212 0.000 1.218 102 P CA 0.066 63.308 63.100 0.236 0.000 0.780 102 P CB 1.135 32.938 31.700 0.173 0.000 0.901 103 S N 2.528 118.352 115.700 0.208 0.000 2.454 103 S HA 0.522 4.992 4.470 0.000 0.000 0.306 103 S C -2.060 172.625 174.600 0.143 0.000 1.100 103 S CA -1.566 56.735 58.200 0.168 0.000 1.087 103 S CB -0.035 63.261 63.200 0.160 0.000 1.019 103 S HN 0.321 nan 8.310 nan 0.000 0.480 104 P HA 0.189 nan 4.420 nan 0.000 0.274 104 P C -0.641 176.729 177.300 0.116 0.000 1.231 104 P CA -0.618 62.543 63.100 0.103 0.000 0.790 104 P CB 0.401 32.147 31.700 0.077 0.000 0.951 105 R N 3.087 123.664 120.500 0.128 0.000 2.561 105 R HA 0.042 4.382 4.340 0.000 0.000 0.347 105 R C -1.522 174.843 176.300 0.109 0.000 0.916 105 R CA -0.878 55.307 56.100 0.143 0.000 1.063 105 R CB -0.355 30.032 30.300 0.145 0.000 0.916 105 R HN 0.407 nan 8.270 nan 0.000 0.410 106 P HA -0.021 nan 4.420 nan 0.000 0.272 106 P C -1.137 176.203 177.300 0.067 0.000 1.254 106 P CA -0.008 63.140 63.100 0.079 0.000 0.795 106 P CB 0.619 32.366 31.700 0.078 0.000 1.022 107 K N 0.439 120.866 120.400 0.046 0.000 2.293 107 K HA 0.206 4.526 4.320 0.000 0.000 0.267 107 K C -0.218 176.394 176.600 0.020 0.000 1.010 107 K CA -0.388 55.918 56.287 0.031 0.000 0.875 107 K CB 0.214 32.727 32.500 0.022 0.000 1.106 107 K HN 0.538 nan 8.250 nan 0.000 0.450 108 S N 2.542 118.250 115.700 0.013 0.000 3.292 108 S HA -0.175 4.295 4.470 0.000 0.000 0.360 108 S C -0.360 174.243 174.600 0.004 0.000 0.930 108 S CA 1.002 59.199 58.200 -0.004 0.000 1.317 108 S CB -0.985 62.202 63.200 -0.022 0.000 0.920 108 S HN 0.769 nan 8.310 nan 0.000 0.540 109 T N 2.691 117.258 114.554 0.022 0.000 2.950 109 T HA 0.600 4.950 4.350 0.000 0.000 0.288 109 T C 0.338 175.051 174.700 0.022 0.000 1.035 109 T CA 0.206 62.320 62.100 0.023 0.000 1.028 109 T CB 1.319 70.212 68.868 0.041 0.000 1.109 109 T HN 0.518 nan 8.240 nan 0.000 0.514 110 T N 2.406 116.967 114.554 0.011 0.000 2.923 110 T HA 0.243 4.593 4.350 0.000 0.000 0.304 110 T C -0.204 174.516 174.700 0.035 0.000 1.044 110 T CA -0.059 62.044 62.100 0.005 0.000 1.141 110 T CB 0.074 68.932 68.868 -0.017 0.000 1.023 110 T HN 0.412 nan 8.240 nan 0.000 0.533 111 V N 5.146 125.085 119.914 0.042 0.000 2.513 111 V HA 0.511 4.631 4.120 0.000 0.000 0.299 111 V C 0.023 176.174 176.094 0.096 0.000 1.035 111 V CA -0.748 61.601 62.300 0.083 0.000 0.889 111 V CB 1.748 33.622 31.823 0.085 0.000 0.988 111 V HN 0.833 nan 8.190 nan 0.000 0.440 112 M N 4.428 124.115 119.600 0.146 0.000 2.197 112 M HA 0.529 5.009 4.480 0.000 0.000 0.301 112 M C -1.309 175.250 176.300 0.432 0.000 0.987 112 M CA -0.587 54.824 55.300 0.186 0.000 0.921 112 M CB 2.193 34.780 32.600 -0.022 0.000 1.569 112 M HN 0.364 nan 8.290 nan 0.000 0.431 113 V N 3.417 123.627 119.914 0.494 0.000 2.347 113 V HA 0.314 4.434 4.120 0.000 0.000 0.280 113 V C -0.690 175.693 176.094 0.481 0.000 1.021 113 V CA -0.613 61.947 62.300 0.434 0.000 0.847 113 V CB 1.282 33.230 31.823 0.208 0.000 0.990 113 V HN 0.848 nan 8.190 nan 0.000 0.444 114 W N 6.956 128.322 121.300 0.110 0.000 2.315 114 W HA 0.624 5.284 4.660 0.000 0.000 0.316 114 W C -1.250 175.145 176.519 -0.207 0.000 1.211 114 W CA -0.700 56.435 57.345 -0.350 0.000 1.201 114 W CB 1.144 30.442 29.460 -0.270 0.000 1.184 114 W HN 0.433 nan 8.180 nan 0.000 0.544 115 I N 8.947 128.871 120.570 -1.076 0.000 2.411 115 I HA 0.065 4.236 4.170 0.000 0.000 0.284 115 I C -0.310 175.037 176.117 -1.284 0.000 1.012 115 I CA -1.119 59.643 61.300 -0.897 0.000 1.119 115 I CB 0.783 38.423 38.000 -0.600 0.000 1.261 115 I HN 0.292 nan 8.210 nan 0.000 0.448 116 Y N 4.587 124.442 120.300 -0.742 0.000 2.550 116 Y HA 0.640 5.191 4.550 0.000 0.000 0.343 116 Y C 0.724 176.463 175.900 -0.268 0.000 1.245 116 Y CA -0.806 56.976 58.100 -0.529 0.000 1.462 116 Y CB -0.094 38.331 38.460 -0.058 0.000 1.340 116 Y HN 0.514 nan 8.280 nan 0.000 0.604 117 G N -0.890 107.923 108.800 0.022 0.000 2.642 117 G HA2 0.513 4.473 3.960 0.000 0.000 0.291 117 G HA3 0.513 4.473 3.960 0.000 0.000 0.291 117 G C 0.223 175.063 174.900 -0.100 0.000 1.345 117 G CA -0.950 44.089 45.100 -0.101 0.000 1.043 117 G HN 1.675 nan 8.290 nan 0.000 0.528 118 G N -2.831 105.758 108.800 -0.351 0.000 2.332 118 G HA2 0.419 4.379 3.960 0.000 0.000 0.216 118 G HA3 0.419 4.379 3.960 0.000 0.000 0.216 118 G C 1.018 175.364 174.900 -0.923 0.000 1.041 118 G CA 0.781 45.539 45.100 -0.570 0.000 0.836 118 G HN 2.316 nan 8.290 nan 0.000 0.530 119 G N -0.494 107.783 108.800 -0.872 0.000 2.180 119 G HA2 -0.156 3.804 3.960 0.000 0.000 0.263 119 G HA3 -0.156 3.804 3.960 0.000 0.000 0.263 119 G C 0.925 175.593 174.900 -0.386 0.000 0.989 119 G CA 0.847 45.266 45.100 -1.135 0.000 0.692 119 G HN 1.712 nan 8.290 nan 0.000 0.526 120 F N -3.470 116.383 119.950 -0.162 0.000 2.748 120 F HA -0.292 4.235 4.527 0.000 0.000 0.370 120 F C 1.423 177.334 175.800 0.185 0.000 0.620 120 F CA 2.048 60.088 58.000 0.065 0.000 1.233 120 F CB -2.049 36.858 39.000 -0.155 0.000 1.708 120 F HN 0.916 nan 8.300 nan 0.000 0.298 121 Y N -0.829 119.546 120.300 0.125 0.000 2.481 121 Y HA 0.671 5.222 4.550 0.000 0.000 0.247 121 Y C 0.650 176.636 175.900 0.143 0.000 1.151 121 Y CA 0.284 58.471 58.100 0.144 0.000 1.238 121 Y CB 0.001 38.456 38.460 -0.008 0.000 1.179 121 Y HN 0.103 nan 8.280 nan 0.000 0.524 122 S N -0.956 114.499 115.700 -0.408 0.000 2.757 122 S HA 0.857 5.327 4.470 0.000 0.000 0.285 122 S C -0.176 174.243 174.600 -0.301 0.000 1.196 122 S CA -0.534 57.480 58.200 -0.310 0.000 0.856 122 S CB 1.332 64.282 63.200 -0.416 0.000 1.212 122 S HN 1.349 nan 8.310 nan 0.000 0.516 123 G N -0.384 108.215 108.800 -0.336 0.000 2.525 123 G HA2 0.412 4.372 3.960 0.000 0.000 0.685 123 G HA3 0.412 4.372 3.960 0.000 0.000 0.685 123 G C -0.914 173.362 174.900 -1.040 0.000 1.285 123 G CA -0.327 44.438 45.100 -0.557 0.000 0.849 123 G HN 1.474 nan 8.290 nan 0.000 0.653 124 S N -0.897 114.211 115.700 -0.987 0.000 2.556 124 S HA 0.727 5.197 4.470 0.000 0.000 0.271 124 S C 0.960 175.389 174.600 -0.284 0.000 1.135 124 S CA 0.098 57.872 58.200 -0.711 0.000 0.858 124 S CB 1.835 64.838 63.200 -0.329 0.000 1.114 124 S HN 1.990 nan 8.310 nan 0.000 0.468 125 S N -0.232 115.494 115.700 0.044 0.000 2.528 125 S HA -0.046 4.425 4.470 0.000 0.000 0.219 125 S C 1.376 176.069 174.600 0.155 0.000 0.985 125 S CA 0.816 59.250 58.200 0.391 0.000 0.914 125 S CB -0.607 62.861 63.200 0.447 0.000 0.776 125 S HN 0.848 nan 8.310 nan 0.000 0.526 126 T N 0.219 114.659 114.554 -0.191 0.000 3.144 126 T HA 0.398 4.748 4.350 0.000 0.000 0.249 126 T C 0.546 174.941 174.700 -0.508 0.000 1.089 126 T CA -0.517 61.148 62.100 -0.726 0.000 0.989 126 T CB -0.601 67.736 68.868 -0.885 0.000 0.992 126 T HN 0.308 nan 8.240 nan 0.000 0.540 127 L N 1.764 122.793 121.223 -0.323 0.000 2.499 127 L HA 0.139 4.479 4.340 0.000 0.000 0.281 127 L C 1.400 178.021 176.870 -0.415 0.000 1.234 127 L CA -0.324 54.242 54.840 -0.457 0.000 0.839 127 L CB 0.306 41.884 42.059 -0.802 0.000 1.104 127 L HN 0.081 nan 8.230 nan 0.000 0.500 128 D N 0.649 120.821 120.400 -0.381 0.000 2.117 128 D HA -0.148 4.492 4.640 0.000 0.000 0.197 128 D C 1.929 178.025 176.300 -0.340 0.000 0.987 128 D CA 1.310 55.152 54.000 -0.263 0.000 0.829 128 D CB -0.067 40.591 40.800 -0.237 0.000 0.961 128 D HN 0.500 nan 8.370 nan 0.000 0.460 129 V N -1.266 118.308 119.914 -0.566 0.000 3.241 129 V HA -0.150 3.970 4.120 0.000 0.000 0.269 129 V C 0.946 176.611 176.094 -0.715 0.000 1.151 129 V CA 1.090 63.042 62.300 -0.579 0.000 1.158 129 V CB -1.129 30.294 31.823 -0.667 0.000 0.764 129 V HN 0.132 nan 8.190 nan 0.000 0.508 130 Y N -0.240 119.590 120.300 -0.784 0.000 2.467 130 Y HA 0.422 4.972 4.550 0.000 0.000 0.250 130 Y C 1.172 176.644 175.900 -0.713 0.000 1.155 130 Y CA -1.747 55.556 58.100 -1.328 0.000 1.249 130 Y CB -0.896 37.129 38.460 -0.724 0.000 1.146 130 Y HN 0.276 nan 8.280 nan 0.000 0.524 131 N N 1.714 120.276 118.700 -0.231 0.000 2.374 131 N HA -0.055 4.685 4.740 0.000 0.000 0.269 131 N C 1.243 176.510 175.510 -0.405 0.000 1.310 131 N CA 0.807 53.743 53.050 -0.190 0.000 0.877 131 N CB 1.044 39.514 38.487 -0.027 0.000 1.096 131 N HN 0.475 nan 8.380 nan 0.000 0.484 132 G N 3.241 111.248 108.800 -1.322 0.000 3.088 132 G HA2 -0.122 3.838 3.960 0.000 0.000 0.212 132 G HA3 -0.122 3.838 3.960 0.000 0.000 0.212 132 G C 1.400 175.687 174.900 -1.021 0.000 1.173 132 G CA 0.124 44.616 45.100 -1.014 0.000 0.779 132 G HN 0.757 nan 8.290 nan 0.000 0.540 133 K N -0.377 119.294 120.400 -1.216 0.000 2.057 133 K HA -0.112 4.208 4.320 0.000 0.000 0.206 133 K C 1.712 178.116 176.600 -0.328 0.000 1.050 133 K CA 0.994 56.896 56.287 -0.642 0.000 0.935 133 K CB -0.551 31.640 32.500 -0.514 0.000 0.715 133 K HN 0.358 nan 8.250 nan 0.000 0.439 134 Y N 1.217 121.444 120.300 -0.122 0.000 2.145 134 Y HA -0.168 4.383 4.550 0.000 0.000 0.286 134 Y C 2.406 178.312 175.900 0.011 0.000 1.145 134 Y CA 0.716 58.800 58.100 -0.027 0.000 1.148 134 Y CB -0.376 38.042 38.460 -0.069 0.000 0.981 134 Y HN 0.050 nan 8.280 nan 0.000 0.507 135 L N 0.244 121.512 121.223 0.075 0.000 2.156 135 L HA 0.020 4.360 4.340 0.000 0.000 0.208 135 L C 2.266 179.154 176.870 0.031 0.000 1.095 135 L CA 1.681 56.517 54.840 -0.006 0.000 0.770 135 L CB -0.962 40.997 42.059 -0.166 0.000 0.914 135 L HN 0.129 nan 8.230 nan 0.000 0.439 136 A N -1.301 121.552 122.820 0.055 0.000 1.898 136 A HA -0.229 4.091 4.320 0.000 0.000 0.216 136 A C 2.260 179.937 177.584 0.155 0.000 1.181 136 A CA 1.646 53.762 52.037 0.132 0.000 0.620 136 A CB -1.047 18.088 19.000 0.226 0.000 0.819 136 A HN 0.618 nan 8.150 nan 0.000 0.442 137 Y N 1.054 121.382 120.300 0.047 0.000 2.092 137 Y HA -0.182 4.368 4.550 0.000 0.000 0.282 137 Y C 2.694 178.623 175.900 0.050 0.000 1.126 137 Y CA 2.554 60.686 58.100 0.053 0.000 1.111 137 Y CB -0.695 37.784 38.460 0.031 0.000 0.987 137 Y HN 0.286 nan 8.280 nan 0.000 0.489 138 T N 0.554 115.115 114.554 0.013 0.000 2.699 138 T HA -0.177 4.173 4.350 0.000 0.000 0.268 138 T C 1.226 175.871 174.700 -0.093 0.000 1.036 138 T CA 1.832 63.875 62.100 -0.095 0.000 1.147 138 T CB -0.189 68.718 68.868 0.065 0.000 0.862 138 T HN 0.362 nan 8.240 nan 0.000 0.446 139 E N 0.534 120.723 120.200 -0.018 0.000 2.476 139 E HA 0.114 4.464 4.350 0.000 0.000 0.196 139 E C 0.058 176.663 176.600 0.008 0.000 1.029 139 E CA -0.022 56.390 56.400 0.019 0.000 0.896 139 E CB 0.007 29.735 29.700 0.046 0.000 1.012 139 E HN 0.602 nan 8.360 nan 0.000 0.475 140 E N 0.248 120.439 120.200 -0.015 0.000 2.210 140 E HA -0.173 4.177 4.350 0.000 0.000 0.201 140 E C -0.141 176.486 176.600 0.046 0.000 1.339 140 E CA 0.466 56.873 56.400 0.012 0.000 0.699 140 E CB -1.822 27.872 29.700 -0.009 0.000 1.126 140 E HN 0.109 nan 8.360 nan 0.000 0.355 141 V N -3.647 116.309 119.914 0.070 0.000 3.074 141 V HA 0.671 4.791 4.120 0.000 0.000 0.314 141 V C 0.332 176.508 176.094 0.136 0.000 1.117 141 V CA -1.189 61.159 62.300 0.080 0.000 1.014 141 V CB 2.311 34.165 31.823 0.051 0.000 1.057 141 V HN -0.026 nan 8.190 nan 0.000 0.438 142 V N 3.225 123.227 119.914 0.146 0.000 2.385 142 V HA 0.382 4.502 4.120 0.000 0.000 0.269 142 V C -0.201 176.033 176.094 0.232 0.000 1.043 142 V CA -0.165 62.256 62.300 0.202 0.000 0.906 142 V CB 0.985 32.913 31.823 0.174 0.000 0.995 142 V HN 0.729 nan 8.190 nan 0.000 0.467 143 L N 7.592 129.011 121.223 0.326 0.000 2.272 143 L HA 0.636 4.976 4.340 0.000 0.000 0.289 143 L C -0.353 176.824 176.870 0.513 0.000 1.032 143 L CA 0.210 55.292 54.840 0.404 0.000 0.810 143 L CB 1.590 43.879 42.059 0.384 0.000 1.205 143 L HN 0.414 nan 8.230 nan 0.000 0.422 144 V N 3.715 123.899 119.914 0.451 0.000 2.540 144 V HA 0.670 4.790 4.120 0.000 0.000 0.302 144 V C -0.351 176.023 176.094 0.467 0.000 1.035 144 V CA -0.547 61.994 62.300 0.401 0.000 0.873 144 V CB 2.037 34.006 31.823 0.243 0.000 0.992 144 V HN 0.875 nan 8.190 nan 0.000 0.428 145 S N 5.125 121.119 115.700 0.490 0.000 2.478 145 S HA 0.837 5.308 4.470 0.000 0.000 0.312 145 S C -0.709 174.090 174.600 0.332 0.000 1.094 145 S CA -0.766 57.731 58.200 0.496 0.000 1.081 145 S CB 1.543 65.137 63.200 0.657 0.000 1.007 145 S HN 0.658 nan 8.310 nan 0.000 0.475 146 L N 0.885 122.237 121.223 0.215 0.000 2.578 146 L HA 1.004 5.344 4.340 0.000 0.000 0.259 146 L C 0.104 177.128 176.870 0.258 0.000 1.082 146 L CA -0.712 54.216 54.840 0.147 0.000 0.843 146 L CB 0.169 42.188 42.059 -0.066 0.000 1.535 146 L HN 0.874 nan 8.230 nan 0.000 0.510 147 S N -1.770 114.137 115.700 0.344 0.000 2.607 147 S HA 0.870 5.340 4.470 0.000 0.000 0.273 147 S C -1.353 173.516 174.600 0.447 0.000 1.148 147 S CA -0.556 57.890 58.200 0.410 0.000 0.833 147 S CB 1.491 64.965 63.200 0.457 0.000 1.130 147 S HN 1.183 nan 8.310 nan 0.000 0.470 148 Y N -1.595 118.835 120.300 0.217 0.000 2.592 148 Y HA 0.700 5.251 4.550 0.000 0.000 0.334 148 Y C -0.718 175.313 175.900 0.217 0.000 1.136 148 Y CA -1.423 56.788 58.100 0.185 0.000 1.042 148 Y CB 0.681 39.201 38.460 0.099 0.000 1.325 148 Y HN 0.783 nan 8.280 nan 0.000 0.457 149 R N 1.751 122.361 120.500 0.185 0.000 2.537 149 R HA 0.522 4.862 4.340 0.000 0.000 0.280 149 R C -0.280 176.138 176.300 0.198 0.000 1.058 149 R CA -0.177 55.985 56.100 0.102 0.000 1.057 149 R CB 0.817 31.147 30.300 0.049 0.000 0.973 149 R HN 0.695 nan 8.270 nan 0.000 0.438 150 V N -0.169 119.894 119.914 0.248 0.000 3.113 150 V HA 0.901 5.021 4.120 0.000 0.000 0.316 150 V C 0.695 177.096 176.094 0.511 0.000 1.125 150 V CA -0.128 62.441 62.300 0.448 0.000 1.026 150 V CB 1.267 33.258 31.823 0.281 0.000 1.080 150 V HN 0.982 nan 8.190 nan 0.000 0.444 151 G N 0.753 109.906 108.800 0.588 0.000 2.601 151 G HA2 0.056 4.016 3.960 0.000 0.000 0.252 151 G HA3 0.056 4.016 3.960 0.000 0.000 0.252 151 G C 0.973 176.078 174.900 0.343 0.000 1.294 151 G CA 0.785 46.191 45.100 0.511 0.000 0.912 151 G HN 2.220 nan 8.290 nan 0.000 0.574 152 A N -1.267 121.478 122.820 -0.125 0.000 1.978 152 A HA 0.205 4.525 4.320 0.000 0.000 0.220 152 A C 2.213 179.685 177.584 -0.186 0.000 1.170 152 A CA 2.537 54.160 52.037 -0.689 0.000 0.636 152 A CB -0.524 17.834 19.000 -1.070 0.000 0.810 152 A HN 0.990 nan 8.150 nan 0.000 0.448 153 F N -0.103 119.894 119.950 0.078 0.000 2.269 153 F HA -0.007 4.520 4.527 0.000 0.000 0.301 153 F C 2.367 178.141 175.800 -0.043 0.000 1.082 153 F CA 1.153 59.139 58.000 -0.024 0.000 1.360 153 F CB -0.463 38.487 39.000 -0.083 0.000 1.041 153 F HN 0.297 nan 8.300 nan 0.000 0.512 154 G N -2.581 106.263 108.800 0.074 0.000 2.944 154 G HA2 0.106 4.066 3.960 0.000 0.000 0.220 154 G HA3 0.106 4.066 3.960 0.000 0.000 0.220 154 G C 0.684 175.051 174.900 -0.889 0.000 1.100 154 G CA 0.069 44.949 45.100 -0.368 0.000 0.780 154 G HN 0.315 nan 8.290 nan 0.000 0.539 155 F N -0.417 119.618 119.950 0.142 0.000 2.899 155 F HA 0.419 4.947 4.527 0.000 0.000 0.337 155 F C 0.307 176.153 175.800 0.077 0.000 1.129 155 F CA -1.056 57.004 58.000 0.100 0.000 1.128 155 F CB 0.416 39.489 39.000 0.121 0.000 1.154 155 F HN -0.074 nan 8.300 nan 0.000 0.531 156 L N 2.384 123.608 121.223 0.002 0.000 2.584 156 L HA 0.449 4.789 4.340 0.000 0.000 0.272 156 L C 0.129 176.962 176.870 -0.062 0.000 1.195 156 L CA 0.195 54.912 54.840 -0.205 0.000 0.920 156 L CB 0.083 41.736 42.059 -0.676 0.000 1.173 156 L HN 0.157 nan 8.230 nan 0.000 0.489 157 A N 6.915 129.754 122.820 0.032 0.000 2.335 157 A HA 0.673 4.993 4.320 0.000 0.000 0.304 157 A C -0.882 176.714 177.584 0.019 0.000 1.118 157 A CA -0.518 51.541 52.037 0.037 0.000 0.757 157 A CB 0.720 19.773 19.000 0.088 0.000 1.188 157 A HN 0.712 nan 8.150 nan 0.000 0.460 158 L N 3.613 124.838 121.223 0.005 0.000 2.445 158 L HA 0.248 4.588 4.340 0.000 0.000 0.252 158 L C -0.114 176.793 176.870 0.061 0.000 1.105 158 L CA -0.762 54.083 54.840 0.007 0.000 0.943 158 L CB 0.540 42.566 42.059 -0.056 0.000 1.277 158 L HN 0.876 nan 8.230 nan 0.000 0.465 159 H N 1.830 120.896 119.070 -0.006 0.000 3.094 159 H HA 0.277 4.833 4.556 0.000 0.000 0.320 159 H C 1.111 176.440 175.328 0.002 0.000 1.000 159 H CA 1.512 57.565 56.048 0.007 0.000 1.413 159 H CB 0.925 30.696 29.762 0.014 0.000 1.405 159 H HN 0.706 nan 8.280 nan 0.000 0.586 160 G N 2.602 111.150 108.800 -0.420 0.000 2.376 160 G HA2 -0.263 3.697 3.960 0.000 0.000 0.208 160 G HA3 -0.263 3.697 3.960 0.000 0.000 0.208 160 G C 0.506 175.319 174.900 -0.145 0.000 1.032 160 G CA 0.195 45.114 45.100 -0.302 0.000 0.641 160 G HN 0.879 nan 8.290 nan 0.000 0.503 161 S N 0.185 115.835 115.700 -0.083 0.000 2.601 161 S HA 0.570 5.040 4.470 0.000 0.000 0.271 161 S C 1.062 175.653 174.600 -0.016 0.000 1.305 161 S CA 0.291 58.467 58.200 -0.040 0.000 1.022 161 S CB 1.305 64.487 63.200 -0.028 0.000 0.940 161 S HN 0.267 nan 8.310 nan 0.000 0.525 162 Q N 1.455 121.256 119.800 0.002 0.000 2.281 162 Q HA 0.208 4.548 4.340 0.000 0.000 0.215 162 Q C 0.906 176.931 176.000 0.042 0.000 0.867 162 Q CA 0.137 55.952 55.803 0.021 0.000 0.940 162 Q CB 0.333 29.081 28.738 0.018 0.000 1.111 162 Q HN 0.675 nan 8.270 nan 0.000 0.513 163 E N 0.519 120.747 120.200 0.047 0.000 2.190 163 E HA 0.118 4.468 4.350 0.000 0.000 0.191 163 E C 0.158 176.822 176.600 0.107 0.000 0.978 163 E CA 0.452 56.900 56.400 0.081 0.000 0.839 163 E CB 0.664 30.420 29.700 0.092 0.000 0.787 163 E HN 0.115 nan 8.360 nan 0.000 0.473 164 A N 1.591 124.447 122.820 0.059 0.000 3.422 164 A HA 0.275 4.595 4.320 0.000 0.000 0.271 164 A C -2.132 175.464 177.584 0.019 0.000 1.104 164 A CA -0.809 51.252 52.037 0.041 0.000 0.899 164 A CB 0.634 19.572 19.000 -0.103 0.000 1.309 164 A HN -0.114 nan 8.150 nan 0.000 0.580 165 P HA 0.159 nan 4.420 nan 0.000 0.229 165 P C 0.884 178.245 177.300 0.102 0.000 1.160 165 P CA 1.670 64.820 63.100 0.084 0.000 0.777 165 P CB 0.245 31.997 31.700 0.087 0.000 0.814 166 G N 0.838 109.679 108.800 0.068 0.000 2.699 166 G HA2 -0.165 3.795 3.960 0.000 0.000 0.686 166 G HA3 -0.165 3.795 3.960 0.000 0.000 0.686 166 G C -0.110 174.820 174.900 0.049 0.000 1.301 166 G CA -0.295 44.850 45.100 0.075 0.000 0.816 166 G HN 0.118 nan 8.290 nan 0.000 0.595 167 N N -2.422 116.322 118.700 0.073 0.000 2.828 167 N HA -0.286 4.454 4.740 0.000 0.000 0.248 167 N C 1.898 177.317 175.510 -0.153 0.000 1.044 167 N CA 2.471 55.512 53.050 -0.014 0.000 0.851 167 N CB -1.752 36.639 38.487 -0.160 0.000 1.136 167 N HN 1.861 nan 8.380 nan 0.000 0.572 168 V N -2.828 116.974 119.914 -0.186 0.000 2.594 168 V HA -0.037 4.083 4.120 0.000 0.000 0.253 168 V C 2.362 178.337 176.094 -0.198 0.000 1.069 168 V CA 2.254 64.472 62.300 -0.137 0.000 1.082 168 V CB -0.974 30.801 31.823 -0.080 0.000 0.680 168 V HN 0.310 nan 8.190 nan 0.000 0.469 169 G N 0.465 108.935 108.800 -0.551 0.000 2.408 169 G HA2 -0.113 3.847 3.960 0.000 0.000 0.217 169 G HA3 -0.113 3.847 3.960 0.000 0.000 0.217 169 G C 1.536 176.457 174.900 0.035 0.000 1.150 169 G CA 1.027 45.934 45.100 -0.322 0.000 0.776 169 G HN 0.528 nan 8.290 nan 0.000 0.542 170 L N -0.134 121.085 121.223 -0.007 0.000 2.109 170 L HA 0.082 4.422 4.340 0.000 0.000 0.207 170 L C 2.820 179.782 176.870 0.154 0.000 1.086 170 L CA 0.341 55.149 54.840 -0.054 0.000 0.760 170 L CB -0.292 41.418 42.059 -0.582 0.000 0.910 170 L HN 0.170 nan 8.230 nan 0.000 0.437 171 L N -0.538 120.755 121.223 0.117 0.000 2.056 171 L HA -0.213 4.127 4.340 0.000 0.000 0.207 171 L C 2.225 179.192 176.870 0.163 0.000 1.078 171 L CA 0.976 55.930 54.840 0.190 0.000 0.749 171 L CB -0.640 41.501 42.059 0.137 0.000 0.901 171 L HN 0.278 nan 8.230 nan 0.000 0.433 172 D N -0.126 120.371 120.400 0.163 0.000 2.123 172 D HA -0.214 4.427 4.640 0.000 0.000 0.196 172 D C 2.269 178.672 176.300 0.172 0.000 0.992 172 D CA 1.171 55.336 54.000 0.273 0.000 0.833 172 D CB -0.190 40.805 40.800 0.325 0.000 0.954 172 D HN 0.407 nan 8.370 nan 0.000 0.455 173 Q N 0.092 119.951 119.800 0.098 0.000 2.061 173 Q HA -0.144 4.196 4.340 0.000 0.000 0.204 173 Q C 2.309 178.224 176.000 -0.142 0.000 0.984 173 Q CA 1.096 56.872 55.803 -0.046 0.000 0.846 173 Q CB -0.077 28.671 28.738 0.016 0.000 0.902 173 Q HN 0.197 nan 8.270 nan 0.000 0.421 174 R N 0.467 120.954 120.500 -0.022 0.000 2.096 174 R HA -0.143 4.197 4.340 0.000 0.000 0.235 174 R C 2.168 178.428 176.300 -0.067 0.000 1.127 174 R CA 1.420 57.470 56.100 -0.083 0.000 0.968 174 R CB -0.127 30.217 30.300 0.073 0.000 0.861 174 R HN 0.269 nan 8.270 nan 0.000 0.440 175 M N -0.095 119.499 119.600 -0.010 0.000 2.254 175 M HA -0.030 4.450 4.480 0.000 0.000 0.265 175 M C 2.025 178.250 176.300 -0.126 0.000 1.066 175 M CA 1.763 57.087 55.300 0.040 0.000 1.123 175 M CB 0.061 32.794 32.600 0.222 0.000 1.388 175 M HN 0.253 nan 8.290 nan 0.000 0.425 176 A N 0.439 122.924 122.820 -0.559 0.000 1.930 176 A HA -0.089 4.231 4.320 0.000 0.000 0.217 176 A C 2.004 179.454 177.584 -0.223 0.000 1.175 176 A CA 1.403 52.940 52.037 -0.834 0.000 0.627 176 A CB -0.966 17.332 19.000 -1.170 0.000 0.815 176 A HN 0.582 nan 8.150 nan 0.000 0.443 177 L N -1.052 120.066 121.223 -0.174 0.000 2.093 177 L HA -0.205 4.135 4.340 0.000 0.000 0.208 177 L C 2.813 179.708 176.870 0.042 0.000 1.085 177 L CA 1.626 56.431 54.840 -0.058 0.000 0.755 177 L CB -0.492 41.487 42.059 -0.134 0.000 0.904 177 L HN 0.484 nan 8.230 nan 0.000 0.435 178 Q N -0.262 119.552 119.800 0.023 0.000 2.124 178 Q HA -0.257 4.083 4.340 0.000 0.000 0.202 178 Q C 1.997 178.085 176.000 0.146 0.000 0.977 178 Q CA 1.802 57.633 55.803 0.048 0.000 0.850 178 Q CB -0.438 28.317 28.738 0.027 0.000 0.901 178 Q HN 0.503 nan 8.270 nan 0.000 0.429 179 W N -0.913 120.385 121.300 -0.004 0.000 2.388 179 W HA -0.076 4.584 4.660 0.000 0.000 0.294 179 W C 1.654 178.198 176.519 0.042 0.000 1.212 179 W CA 1.368 58.737 57.345 0.041 0.000 1.271 179 W CB 0.054 29.534 29.460 0.033 0.000 1.126 179 W HN -0.002 nan 8.180 nan 0.000 0.535 180 V N 0.023 120.119 119.914 0.304 0.000 2.358 180 V HA -0.339 3.781 4.120 0.000 0.000 0.246 180 V C 2.512 178.612 176.094 0.010 0.000 1.047 180 V CA 2.257 64.659 62.300 0.170 0.000 1.035 180 V CB -1.262 30.663 31.823 0.169 0.000 0.658 180 V HN 0.331 nan 8.190 nan 0.000 0.452 181 H N 0.182 119.225 119.070 -0.044 0.000 2.456 181 H HA -0.144 4.412 4.556 0.000 0.000 0.296 181 H C 1.541 176.777 175.328 -0.154 0.000 1.079 181 H CA 1.773 57.774 56.048 -0.078 0.000 1.322 181 H CB 0.161 29.899 29.762 -0.040 0.000 1.388 181 H HN 0.440 nan 8.280 nan 0.000 0.538 182 D N -0.759 119.588 120.400 -0.090 0.000 2.388 182 D HA 0.013 4.653 4.640 0.000 0.000 0.208 182 D C 1.171 177.240 176.300 -0.385 0.000 1.035 182 D CA 0.188 54.072 54.000 -0.193 0.000 0.875 182 D CB 0.260 40.994 40.800 -0.110 0.000 0.984 182 D HN 0.428 nan 8.370 nan 0.000 0.508 183 N N -0.015 118.368 118.700 -0.528 0.000 2.211 183 N HA 0.033 4.773 4.740 0.000 0.000 0.216 183 N C 1.513 176.887 175.510 -0.226 0.000 1.240 183 N CA -0.143 52.626 53.050 -0.468 0.000 0.895 183 N CB 1.175 39.126 38.487 -0.893 0.000 1.102 183 N HN -0.013 nan 8.380 nan 0.000 0.498 184 I N 3.274 123.719 120.570 -0.209 0.000 2.423 184 I HA -0.268 3.902 4.170 0.000 0.000 0.254 184 I C 2.566 178.687 176.117 0.006 0.000 1.151 184 I CA 1.433 62.733 61.300 -0.000 0.000 1.421 184 I CB -0.210 37.776 38.000 -0.024 0.000 1.079 184 I HN 0.207 nan 8.210 nan 0.000 0.431 185 Q N -0.935 118.693 119.800 -0.288 0.000 2.226 185 Q HA -0.229 4.112 4.340 0.000 0.000 0.204 185 Q C 1.828 177.690 176.000 -0.230 0.000 0.975 185 Q CA 1.599 57.210 55.803 -0.321 0.000 0.866 185 Q CB -0.818 27.609 28.738 -0.519 0.000 0.915 185 Q HN 0.408 nan 8.270 nan 0.000 0.440 186 F N -0.211 119.730 119.950 -0.014 0.000 2.604 186 F HA 0.096 4.623 4.527 0.000 0.000 0.298 186 F C 0.784 176.393 175.800 -0.320 0.000 1.131 186 F CA 0.186 58.071 58.000 -0.191 0.000 1.457 186 F CB -0.076 38.727 39.000 -0.329 0.000 1.095 186 F HN 0.010 nan 8.300 nan 0.000 0.574 187 F N -0.794 119.176 119.950 0.033 0.000 2.654 187 F HA 0.466 4.993 4.527 0.000 0.000 0.303 187 F C 1.710 177.537 175.800 0.046 0.000 1.099 187 F CA 0.053 58.058 58.000 0.007 0.000 1.270 187 F CB 0.078 39.044 39.000 -0.056 0.000 1.024 187 F HN 0.016 nan 8.300 nan 0.000 0.548 188 G N 0.167 109.065 108.800 0.163 0.000 2.175 188 G HA2 -0.189 3.771 3.960 0.000 0.000 0.244 188 G HA3 -0.189 3.771 3.960 0.000 0.000 0.244 188 G C 0.703 175.656 174.900 0.088 0.000 0.982 188 G CA -0.261 44.904 45.100 0.109 0.000 0.641 188 G HN 0.736 nan 8.290 nan 0.000 0.527 189 G N -0.340 108.518 108.800 0.097 0.000 2.503 189 G HA2 0.464 4.424 3.960 0.000 0.000 0.257 189 G HA3 0.464 4.424 3.960 0.000 0.000 0.257 189 G C -0.571 174.320 174.900 -0.014 0.000 1.214 189 G CA 0.461 45.594 45.100 0.054 0.000 0.839 189 G HN 0.330 nan 8.290 nan 0.000 0.559 190 D N 1.520 121.909 120.400 -0.019 0.000 2.473 190 D HA 0.281 4.921 4.640 0.000 0.000 0.226 190 D C -0.965 175.295 176.300 -0.066 0.000 1.089 190 D CA -2.395 51.573 54.000 -0.054 0.000 0.883 190 D CB 1.604 42.381 40.800 -0.038 0.000 1.029 190 D HN 0.073 nan 8.370 nan 0.000 0.517 191 P HA -0.187 nan 4.420 nan 0.000 0.222 191 P C 0.427 177.672 177.300 -0.092 0.000 1.142 191 P CA 0.956 63.972 63.100 -0.140 0.000 0.788 191 P CB 0.297 31.807 31.700 -0.317 0.000 0.767 192 K N -1.088 119.260 120.400 -0.087 0.000 2.404 192 K HA 0.113 4.434 4.320 0.000 0.000 0.194 192 K C 0.284 176.859 176.600 -0.041 0.000 1.023 192 K CA 0.522 56.773 56.287 -0.060 0.000 1.094 192 K CB 0.196 32.655 32.500 -0.069 0.000 0.841 192 K HN 0.026 nan 8.250 nan 0.000 0.523 193 T N 1.433 115.968 114.554 -0.031 0.000 3.504 193 T HA 0.222 4.572 4.350 0.000 0.000 0.286 193 T C -0.756 173.946 174.700 0.004 0.000 1.530 193 T CA -0.384 61.699 62.100 -0.028 0.000 1.652 193 T CB 0.707 69.549 68.868 -0.042 0.000 0.895 193 T HN -0.230 nan 8.240 nan 0.000 0.674 194 V N 1.991 121.931 119.914 0.043 0.000 2.435 194 V HA 0.585 4.705 4.120 0.000 0.000 0.290 194 V C 0.205 176.390 176.094 0.152 0.000 1.030 194 V CA -0.517 61.844 62.300 0.101 0.000 0.881 194 V CB 1.913 33.819 31.823 0.138 0.000 0.983 194 V HN 0.557 nan 8.190 nan 0.000 0.445 195 T N 6.054 120.696 114.554 0.146 0.000 2.809 195 T HA 0.568 4.918 4.350 0.000 0.000 0.284 195 T C -0.245 174.594 174.700 0.233 0.000 0.992 195 T CA -0.198 62.009 62.100 0.178 0.000 0.957 195 T CB 0.908 69.823 68.868 0.078 0.000 0.942 195 T HN 0.623 nan 8.240 nan 0.000 0.439 196 I N 1.841 122.542 120.570 0.217 0.000 2.331 196 I HA 0.828 4.998 4.170 0.000 0.000 0.292 196 I C -0.883 175.417 176.117 0.305 0.000 0.998 196 I CA -0.917 60.488 61.300 0.175 0.000 1.267 196 I CB 0.602 38.497 38.000 -0.175 0.000 1.386 196 I HN 0.457 nan 8.210 nan 0.000 0.476 197 F N 3.626 123.623 119.950 0.078 0.000 2.588 197 F HA 1.023 5.550 4.527 0.000 0.000 0.310 197 F C -0.334 175.452 175.800 -0.024 0.000 1.082 197 F CA -1.510 56.564 58.000 0.124 0.000 0.929 197 F CB 1.402 40.590 39.000 0.315 0.000 1.254 197 F HN 0.786 nan 8.300 nan 0.000 0.455 198 G N 1.061 109.750 108.800 -0.186 0.000 2.646 198 G HA2 0.478 4.438 3.960 0.000 0.000 0.291 198 G HA3 0.478 4.438 3.960 0.000 0.000 0.291 198 G C -2.491 172.199 174.900 -0.350 0.000 1.445 198 G CA -0.802 43.804 45.100 -0.823 0.000 0.814 198 G HN 0.844 nan 8.290 nan 0.000 0.495 199 E N 0.425 120.374 120.200 -0.417 0.000 2.227 199 E HA 0.629 4.979 4.350 0.000 0.000 0.268 199 E C 0.820 177.350 176.600 -0.117 0.000 0.907 199 E CA 0.323 56.695 56.400 -0.047 0.000 0.786 199 E CB 2.027 31.854 29.700 0.211 0.000 1.191 199 E HN 0.801 nan 8.360 nan 0.000 0.411 200 S N 2.956 118.640 115.700 -0.027 0.000 4.150 200 S HA -0.409 4.062 4.470 0.000 0.000 0.575 200 S C 1.522 176.160 174.600 0.063 0.000 1.878 200 S CA 2.464 60.711 58.200 0.078 0.000 4.245 200 S CB -1.624 61.593 63.200 0.027 0.000 0.231 200 S HN 0.935 nan 8.310 nan 0.000 0.469 201 A N 1.045 123.783 122.820 -0.136 0.000 1.978 201 A HA 0.148 4.468 4.320 0.000 0.000 0.220 201 A C 2.472 179.788 177.584 -0.446 0.000 1.170 201 A CA 2.444 54.217 52.037 -0.440 0.000 0.636 201 A CB -1.513 16.969 19.000 -0.864 0.000 0.810 201 A HN 1.553 nan 8.150 nan 0.000 0.448 202 G N -0.840 107.751 108.800 -0.347 0.000 2.421 202 G HA2 0.113 4.073 3.960 0.000 0.000 0.217 202 G HA3 0.113 4.073 3.960 0.000 0.000 0.217 202 G C 1.440 176.151 174.900 -0.316 0.000 1.143 202 G CA 1.104 45.956 45.100 -0.413 0.000 0.784 202 G HN 0.665 nan 8.290 nan 0.000 0.541 203 G N 0.988 109.662 108.800 -0.210 0.000 2.408 203 G HA2 0.109 4.069 3.960 0.000 0.000 0.217 203 G HA3 0.109 4.069 3.960 0.000 0.000 0.217 203 G C 1.976 176.767 174.900 -0.180 0.000 1.150 203 G CA 1.366 46.379 45.100 -0.145 0.000 0.776 203 G HN 0.569 nan 8.290 nan 0.000 0.542 204 A N 0.730 123.461 122.820 -0.149 0.000 1.930 204 A HA 0.082 4.403 4.320 0.000 0.000 0.217 204 A C 2.679 180.181 177.584 -0.137 0.000 1.175 204 A CA 2.067 53.999 52.037 -0.176 0.000 0.627 204 A CB -0.522 18.407 19.000 -0.118 0.000 0.815 204 A HN 0.283 nan 8.150 nan 0.000 0.443 205 S N -0.334 115.295 115.700 -0.118 0.000 2.356 205 S HA -0.146 4.325 4.470 0.000 0.000 0.223 205 S C 1.923 176.391 174.600 -0.220 0.000 1.032 205 S CA 1.448 59.546 58.200 -0.170 0.000 1.005 205 S CB -0.507 62.549 63.200 -0.240 0.000 0.867 205 S HN 0.343 nan 8.310 nan 0.000 0.449 206 V N 1.636 121.447 119.914 -0.172 0.000 2.282 206 V HA -0.213 3.907 4.120 0.000 0.000 0.249 206 V C 2.607 178.626 176.094 -0.124 0.000 1.057 206 V CA 2.084 64.302 62.300 -0.136 0.000 1.032 206 V CB -1.472 30.272 31.823 -0.132 0.000 0.645 206 V HN 0.609 nan 8.190 nan 0.000 0.447 207 G N -1.184 107.492 108.800 -0.206 0.000 2.432 207 G HA2 -0.256 3.705 3.960 0.000 0.000 0.219 207 G HA3 -0.256 3.705 3.960 0.000 0.000 0.219 207 G C 1.589 176.457 174.900 -0.053 0.000 1.135 207 G CA 0.970 45.915 45.100 -0.257 0.000 0.767 207 G HN 0.464 nan 8.290 nan 0.000 0.550 208 M N -0.272 119.310 119.600 -0.030 0.000 2.254 208 M HA 0.049 4.529 4.480 0.000 0.000 0.265 208 M C 2.198 178.614 176.300 0.193 0.000 1.066 208 M CA 0.780 56.202 55.300 0.203 0.000 1.123 208 M CB -0.130 32.593 32.600 0.204 0.000 1.388 208 M HN 0.167 nan 8.290 nan 0.000 0.425 209 H N -0.260 118.902 119.070 0.154 0.000 2.470 209 H HA 0.093 4.649 4.556 0.000 0.000 0.289 209 H C 2.093 177.564 175.328 0.237 0.000 1.033 209 H CA 1.104 57.205 56.048 0.089 0.000 1.331 209 H CB -0.101 29.569 29.762 -0.154 0.000 1.414 209 H HN 0.393 nan 8.280 nan 0.000 0.545 210 I N 0.486 121.281 120.570 0.374 0.000 2.315 210 I HA -0.236 3.934 4.170 0.000 0.000 0.248 210 I C 2.043 178.405 176.117 0.407 0.000 1.117 210 I CA 0.949 62.541 61.300 0.486 0.000 1.404 210 I CB -0.012 38.203 38.000 0.359 0.000 1.071 210 I HN 0.132 nan 8.210 nan 0.000 0.419 211 L N -0.771 120.655 121.223 0.339 0.000 2.127 211 L HA -0.011 4.329 4.340 0.000 0.000 0.203 211 L C 1.518 178.513 176.870 0.209 0.000 1.080 211 L CA 0.221 55.268 54.840 0.345 0.000 0.768 211 L CB -0.287 42.004 42.059 0.387 0.000 0.924 211 L HN 0.021 nan 8.230 nan 0.000 0.444 212 S N 0.397 116.134 115.700 0.063 0.000 2.466 212 S HA 0.087 4.558 4.470 0.000 0.000 0.286 212 S C -1.463 173.027 174.600 -0.183 0.000 1.221 212 S CA -1.311 56.731 58.200 -0.263 0.000 1.091 212 S CB 0.766 63.362 63.200 -1.006 0.000 0.956 212 S HN -0.068 nan 8.310 nan 0.000 0.501 213 P HA -0.104 nan 4.420 nan 0.000 0.217 213 P C 1.415 178.639 177.300 -0.126 0.000 1.151 213 P CA 1.236 64.279 63.100 -0.095 0.000 0.849 213 P CB -0.068 31.581 31.700 -0.085 0.000 0.787 214 G N -1.702 106.966 108.800 -0.219 0.000 2.598 214 G HA2 -0.129 3.831 3.960 0.000 0.000 0.215 214 G HA3 -0.129 3.831 3.960 0.000 0.000 0.215 214 G C 1.358 176.165 174.900 -0.154 0.000 1.131 214 G CA 0.594 45.575 45.100 -0.197 0.000 0.785 214 G HN 0.245 nan 8.290 nan 0.000 0.539 215 S N -0.499 115.128 115.700 -0.121 0.000 2.506 215 S HA 0.121 4.591 4.470 0.000 0.000 0.219 215 S C 2.169 176.907 174.600 0.231 0.000 1.031 215 S CA -0.422 57.800 58.200 0.036 0.000 0.911 215 S CB 0.220 63.509 63.200 0.148 0.000 0.812 215 S HN 0.335 nan 8.310 nan 0.000 0.497 216 R N 2.030 122.622 120.500 0.154 0.000 2.119 216 R HA -0.108 4.232 4.340 0.000 0.000 0.246 216 R C 0.791 176.969 176.300 -0.204 0.000 1.146 216 R CA 1.613 57.723 56.100 0.017 0.000 0.962 216 R CB -0.402 29.887 30.300 -0.019 0.000 0.863 216 R HN 0.332 nan 8.270 nan 0.000 0.442 217 D N 0.377 120.715 120.400 -0.104 0.000 2.349 217 D HA -0.013 4.628 4.640 0.000 0.000 0.224 217 D C 1.281 177.540 176.300 -0.069 0.000 1.029 217 D CA 0.640 54.569 54.000 -0.119 0.000 0.879 217 D CB 0.239 40.979 40.800 -0.099 0.000 0.906 217 D HN 0.271 nan 8.370 nan 0.000 0.528 218 L N -0.033 121.206 121.223 0.027 0.000 2.592 218 L HA 0.142 4.482 4.340 0.000 0.000 0.227 218 L C -0.048 177.004 176.870 0.302 0.000 1.127 218 L CA -0.039 54.876 54.840 0.125 0.000 0.884 218 L CB -0.126 41.978 42.059 0.075 0.000 1.065 218 L HN -0.079 nan 8.230 nan 0.000 0.457 219 F N -4.219 115.741 119.950 0.017 0.000 2.693 219 F HA 0.571 5.098 4.527 0.000 0.000 0.309 219 F C 0.333 176.153 175.800 0.034 0.000 1.129 219 F CA -1.495 56.523 58.000 0.030 0.000 0.948 219 F CB 1.171 40.187 39.000 0.027 0.000 1.315 219 F HN -0.382 nan 8.300 nan 0.000 0.447 220 R N 0.952 121.460 120.500 0.014 0.000 2.074 220 R HA 0.452 4.792 4.340 0.000 0.000 0.218 220 R C -0.097 176.185 176.300 -0.031 0.000 1.137 220 R CA 1.168 57.221 56.100 -0.078 0.000 0.998 220 R CB 0.226 30.503 30.300 -0.039 0.000 0.895 220 R HN 0.819 nan 8.270 nan 0.000 0.442 221 R N -1.315 119.264 120.500 0.132 0.000 2.905 221 R HA 0.775 5.115 4.340 0.000 0.000 0.260 221 R C -1.367 175.180 176.300 0.411 0.000 1.086 221 R CA -0.748 55.467 56.100 0.193 0.000 0.978 221 R CB 1.957 32.219 30.300 -0.064 0.000 1.215 221 R HN 0.187 nan 8.270 nan 0.000 0.480 222 A N 0.995 124.063 122.820 0.413 0.000 2.475 222 A HA 0.735 5.055 4.320 0.000 0.000 0.301 222 A C -1.133 176.570 177.584 0.198 0.000 1.059 222 A CA -0.701 51.519 52.037 0.306 0.000 0.710 222 A CB 1.323 20.475 19.000 0.254 0.000 1.288 222 A HN 0.586 nan 8.150 nan 0.000 0.408 223 I N 1.777 122.417 120.570 0.117 0.000 2.478 223 I HA 0.332 4.502 4.170 0.000 0.000 0.287 223 I C -1.535 174.621 176.117 0.065 0.000 1.042 223 I CA -0.544 60.748 61.300 -0.013 0.000 1.067 223 I CB 1.846 39.818 38.000 -0.047 0.000 1.233 223 I HN 0.413 nan 8.210 nan 0.000 0.431 224 L N 6.822 128.046 121.223 0.002 0.000 2.298 224 L HA 0.445 4.785 4.340 0.000 0.000 0.284 224 L C -0.398 176.525 176.870 0.088 0.000 1.013 224 L CA -0.241 54.599 54.840 0.000 0.000 0.824 224 L CB 1.461 43.452 42.059 -0.114 0.000 1.221 224 L HN 0.486 nan 8.230 nan 0.000 0.418 225 Q N 1.918 121.820 119.800 0.171 0.000 2.348 225 Q HA 0.480 4.820 4.340 0.000 0.000 0.265 225 Q C 0.030 176.121 176.000 0.153 0.000 0.998 225 Q CA -0.605 55.366 55.803 0.280 0.000 0.831 225 Q CB 1.552 30.574 28.738 0.474 0.000 1.251 225 Q HN 0.627 nan 8.270 nan 0.000 0.456 226 S N 0.993 116.767 115.700 0.123 0.000 3.614 226 S HA -0.160 4.310 4.470 0.000 0.000 0.360 226 S C -0.002 174.697 174.600 0.164 0.000 1.023 226 S CA 0.625 58.903 58.200 0.130 0.000 1.114 226 S CB -1.115 62.148 63.200 0.105 0.000 0.907 226 S HN 0.994 nan 8.310 nan 0.000 0.470 227 G N -0.387 108.461 108.800 0.080 0.000 2.596 227 G HA2 0.601 4.561 3.960 0.000 0.000 0.296 227 G HA3 0.601 4.561 3.960 0.000 0.000 0.296 227 G C -1.003 173.818 174.900 -0.132 0.000 1.513 227 G CA 0.139 45.283 45.100 0.073 0.000 0.851 227 G HN 1.084 nan 8.290 nan 0.000 0.548 228 S N 0.993 116.542 115.700 -0.251 0.000 2.579 228 S HA 0.788 5.259 4.470 0.000 0.000 0.272 228 S C -2.047 172.251 174.600 -0.503 0.000 1.141 228 S CA -1.038 56.860 58.200 -0.504 0.000 0.843 228 S CB 2.964 65.860 63.200 -0.506 0.000 1.122 228 S HN 0.463 nan 8.310 nan 0.000 0.468 229 P HA -0.152 nan 4.420 nan 0.000 0.216 229 P C 0.684 177.747 177.300 -0.395 0.000 1.150 229 P CA 1.449 64.308 63.100 -0.402 0.000 0.837 229 P CB -0.306 31.209 31.700 -0.308 0.000 0.786 230 N N -0.586 117.918 118.700 -0.327 0.000 2.449 230 N HA -0.033 4.707 4.740 0.000 0.000 0.191 230 N C 0.090 175.364 175.510 -0.395 0.000 1.161 230 N CA -0.102 52.786 53.050 -0.270 0.000 0.863 230 N CB -1.416 37.037 38.487 -0.057 0.000 0.980 230 N HN 0.047 nan 8.380 nan 0.000 0.458 231 C N 3.199 122.144 119.300 -0.592 0.000 2.611 231 C HA 0.056 4.517 4.460 0.000 0.000 0.416 231 C C -0.119 174.340 174.990 -0.885 0.000 1.366 231 C CA -0.938 57.571 59.018 -0.849 0.000 1.761 231 C CB 0.896 27.790 27.740 -1.410 0.000 2.619 231 C HN 0.372 nan 8.230 nan 0.000 0.606 232 P HA -0.144 nan 4.420 nan 0.000 0.218 232 P C 1.148 178.225 177.300 -0.373 0.000 1.146 232 P CA 2.012 64.814 63.100 -0.496 0.000 0.813 232 P CB -0.088 31.324 31.700 -0.480 0.000 0.778 233 W N -1.659 119.509 121.300 -0.221 0.000 3.177 233 W HA 0.584 5.245 4.660 0.000 0.000 0.309 233 W C 1.188 177.752 176.519 0.075 0.000 1.224 233 W CA 0.312 57.607 57.345 -0.083 0.000 1.718 233 W CB -0.999 28.438 29.460 -0.039 0.000 1.078 233 W HN -0.118 nan 8.180 nan 0.000 0.618 234 A N 1.495 123.923 122.820 -0.652 0.000 2.208 234 A HA 0.211 4.531 4.320 0.000 0.000 0.209 234 A C 0.940 178.352 177.584 -0.287 0.000 1.161 234 A CA 1.133 52.924 52.037 -0.410 0.000 0.782 234 A CB -0.565 17.936 19.000 -0.833 0.000 0.816 234 A HN 0.247 nan 8.150 nan 0.000 0.477 235 S N -2.110 113.418 115.700 -0.287 0.000 2.615 235 S HA 0.606 5.076 4.470 0.000 0.000 0.268 235 S C -0.859 173.611 174.600 -0.218 0.000 1.146 235 S CA -0.113 57.908 58.200 -0.297 0.000 0.818 235 S CB 1.099 64.058 63.200 -0.400 0.000 1.111 235 S HN 1.392 nan 8.310 nan 0.000 0.465 236 V N -1.161 118.641 119.914 -0.188 0.000 3.181 236 V HA 0.954 5.074 4.120 0.000 0.000 0.308 236 V C 0.158 176.175 176.094 -0.128 0.000 1.214 236 V CA -0.405 61.812 62.300 -0.140 0.000 1.053 236 V CB 1.081 32.840 31.823 -0.107 0.000 1.069 236 V HN 1.612 nan 8.190 nan 0.000 0.441 237 S N 0.471 116.109 115.700 -0.103 0.000 2.655 237 S HA 0.413 4.883 4.470 0.000 0.000 0.265 237 S C 1.309 175.862 174.600 -0.078 0.000 1.240 237 S CA 0.026 58.170 58.200 -0.092 0.000 0.986 237 S CB 1.239 64.396 63.200 -0.072 0.000 0.985 237 S HN 2.103 nan 8.310 nan 0.000 0.562 238 V N -1.393 118.467 119.914 -0.091 0.000 2.490 238 V HA 0.002 4.122 4.120 0.000 0.000 0.250 238 V C 2.602 178.685 176.094 -0.019 0.000 1.061 238 V CA 1.665 63.920 62.300 -0.075 0.000 1.064 238 V CB -2.098 29.640 31.823 -0.141 0.000 0.670 238 V HN 0.991 nan 8.190 nan 0.000 0.461 239 A N 0.691 123.497 122.820 -0.023 0.000 1.877 239 A HA -0.211 4.109 4.320 0.000 0.000 0.216 239 A C 2.226 179.795 177.584 -0.026 0.000 1.186 239 A CA 2.064 54.092 52.037 -0.014 0.000 0.620 239 A CB -0.671 18.320 19.000 -0.016 0.000 0.822 239 A HN 0.619 nan 8.150 nan 0.000 0.443 240 E N 0.078 120.253 120.200 -0.042 0.000 2.106 240 E HA -0.018 4.332 4.350 0.000 0.000 0.192 240 E C 1.964 178.533 176.600 -0.051 0.000 0.984 240 E CA 1.475 57.839 56.400 -0.060 0.000 0.806 240 E CB -0.810 28.845 29.700 -0.076 0.000 0.750 240 E HN 0.392 nan 8.360 nan 0.000 0.458 241 G N 0.740 109.521 108.800 -0.031 0.000 2.418 241 G HA2 -0.343 3.617 3.960 0.000 0.000 0.217 241 G HA3 -0.343 3.617 3.960 0.000 0.000 0.217 241 G C 1.758 176.676 174.900 0.030 0.000 1.158 241 G CA 0.900 46.005 45.100 0.009 0.000 0.771 241 G HN 0.330 nan 8.290 nan 0.000 0.545 242 R N 0.307 120.816 120.500 0.015 0.000 2.066 242 R HA 0.017 4.357 4.340 0.000 0.000 0.232 242 R C 2.563 178.863 176.300 -0.001 0.000 1.131 242 R CA 1.361 57.467 56.100 0.011 0.000 0.955 242 R CB -0.413 29.895 30.300 0.014 0.000 0.851 242 R HN 0.316 nan 8.270 nan 0.000 0.432 243 R N 0.491 120.982 120.500 -0.015 0.000 2.096 243 R HA -0.174 4.166 4.340 0.000 0.000 0.240 243 R C 2.305 178.588 176.300 -0.028 0.000 1.139 243 R CA 2.104 58.186 56.100 -0.029 0.000 0.952 243 R CB -0.165 30.105 30.300 -0.049 0.000 0.854 243 R HN 0.283 nan 8.270 nan 0.000 0.436 244 R N -0.268 120.212 120.500 -0.034 0.000 2.081 244 R HA -0.087 4.254 4.340 0.000 0.000 0.235 244 R C 2.382 178.742 176.300 0.101 0.000 1.131 244 R CA 1.300 57.379 56.100 -0.035 0.000 0.960 244 R CB -0.349 29.858 30.300 -0.155 0.000 0.856 244 R HN 0.299 nan 8.270 nan 0.000 0.436 245 A N 0.777 123.675 122.820 0.129 0.000 1.858 245 A HA -0.128 4.193 4.320 0.000 0.000 0.216 245 A C 2.358 179.945 177.584 0.005 0.000 1.190 245 A CA 1.504 53.590 52.037 0.083 0.000 0.617 245 A CB -0.642 18.349 19.000 -0.015 0.000 0.827 245 A HN 0.119 nan 8.150 nan 0.000 0.443 246 V N 0.073 119.982 119.914 -0.008 0.000 2.407 246 V HA -0.231 3.890 4.120 0.000 0.000 0.248 246 V C 2.559 178.649 176.094 -0.008 0.000 1.055 246 V CA 2.402 64.689 62.300 -0.021 0.000 1.049 246 V CB -0.699 31.111 31.823 -0.022 0.000 0.662 246 V HN 0.721 nan 8.190 nan 0.000 0.455 247 E N 0.151 120.353 120.200 0.003 0.000 2.152 247 E HA -0.182 4.168 4.350 0.000 0.000 0.192 247 E C 1.882 178.500 176.600 0.029 0.000 0.983 247 E CA 0.846 57.250 56.400 0.006 0.000 0.818 247 E CB -0.306 29.387 29.700 -0.012 0.000 0.758 247 E HN 0.450 nan 8.360 nan 0.000 0.467 248 L N -0.359 120.901 121.223 0.062 0.000 2.093 248 L HA 0.060 4.400 4.340 0.000 0.000 0.208 248 L C 2.062 178.946 176.870 0.024 0.000 1.085 248 L CA 2.148 57.036 54.840 0.080 0.000 0.755 248 L CB -0.844 41.286 42.059 0.120 0.000 0.904 248 L HN 0.238 nan 8.230 nan 0.000 0.435 249 G N -0.980 107.818 108.800 -0.003 0.000 2.404 249 G HA2 -0.296 3.664 3.960 0.000 0.000 0.215 249 G HA3 -0.296 3.664 3.960 0.000 0.000 0.215 249 G C 1.768 176.670 174.900 0.004 0.000 1.174 249 G CA 0.682 45.775 45.100 -0.012 0.000 0.780 249 G HN 0.397 nan 8.290 nan 0.000 0.537 250 R N 0.447 120.950 120.500 0.005 0.000 2.103 250 R HA -0.094 4.246 4.340 0.000 0.000 0.242 250 R C 2.263 178.574 176.300 0.018 0.000 1.142 250 R CA 1.590 57.696 56.100 0.009 0.000 0.960 250 R CB -0.353 29.950 30.300 0.005 0.000 0.858 250 R HN 0.278 nan 8.270 nan 0.000 0.439 251 N N 0.333 119.049 118.700 0.026 0.000 2.289 251 N HA -0.127 4.614 4.740 0.000 0.000 0.184 251 N C 0.919 176.452 175.510 0.039 0.000 1.016 251 N CA 1.016 54.088 53.050 0.037 0.000 0.872 251 N CB 0.111 38.628 38.487 0.050 0.000 0.973 251 N HN 0.314 nan 8.380 nan 0.000 0.433 252 L N 0.820 122.063 121.223 0.034 0.000 2.872 252 L HA 0.207 4.547 4.340 0.000 0.000 0.245 252 L C -0.208 176.680 176.870 0.030 0.000 1.211 252 L CA -0.204 54.658 54.840 0.036 0.000 1.013 252 L CB -0.152 41.929 42.059 0.037 0.000 1.326 252 L HN -0.011 nan 8.230 nan 0.000 0.525 253 N N 0.002 118.717 118.700 0.025 0.000 2.705 253 N HA -0.183 4.557 4.740 0.000 0.000 0.255 253 N C -0.260 175.262 175.510 0.019 0.000 1.008 253 N CA 0.546 53.608 53.050 0.021 0.000 0.742 253 N CB -1.395 37.106 38.487 0.023 0.000 0.906 253 N HN 0.310 nan 8.380 nan 0.000 0.541 254 c N 0.684 119.292 118.600 0.014 0.000 2.382 254 c HA 0.288 4.858 4.570 0.000 0.000 0.363 254 c C 1.250 175.341 174.090 0.002 0.000 1.213 254 c CA -0.991 55.345 56.329 0.010 0.000 2.363 254 c CB 1.221 43.733 42.510 0.004 0.000 2.397 254 c HN 0.410 nan 8.230 nan 0.000 0.573 255 N N 1.690 120.390 118.700 0.001 0.000 2.475 255 N HA 0.135 4.876 4.740 0.000 0.000 0.267 255 N C -0.057 175.440 175.510 -0.022 0.000 1.169 255 N CA 0.305 53.350 53.050 -0.007 0.000 0.947 255 N CB 0.454 38.937 38.487 -0.006 0.000 1.061 255 N HN 0.607 nan 8.380 nan 0.000 0.466 256 L N 2.880 124.090 121.223 -0.021 0.000 2.910 256 L HA 0.205 4.545 4.340 0.000 0.000 0.252 256 L C 1.331 178.182 176.870 -0.031 0.000 1.195 256 L CA -0.327 54.496 54.840 -0.029 0.000 1.003 256 L CB -0.080 41.966 42.059 -0.021 0.000 1.328 256 L HN 0.418 nan 8.230 nan 0.000 0.540 257 N N 0.823 119.504 118.700 -0.031 0.000 2.166 257 N HA -0.081 4.660 4.740 0.000 0.000 0.186 257 N C 0.839 176.326 175.510 -0.039 0.000 1.019 257 N CA 1.119 54.151 53.050 -0.030 0.000 0.856 257 N CB 0.187 38.659 38.487 -0.025 0.000 0.993 257 N HN 0.456 nan 8.380 nan 0.000 0.426 258 S N -1.363 114.303 115.700 -0.057 0.000 2.607 258 S HA 0.343 4.813 4.470 0.000 0.000 0.273 258 S C 0.011 174.556 174.600 -0.091 0.000 1.148 258 S CA -0.882 57.277 58.200 -0.068 0.000 0.833 258 S CB 1.990 65.146 63.200 -0.072 0.000 1.130 258 S HN -0.196 nan 8.310 nan 0.000 0.470 259 D N 0.977 121.325 120.400 -0.086 0.000 2.149 259 D HA -0.100 4.540 4.640 0.000 0.000 0.198 259 D C 1.557 177.772 176.300 -0.142 0.000 0.990 259 D CA 1.659 55.600 54.000 -0.097 0.000 0.839 259 D CB -0.151 40.604 40.800 -0.075 0.000 0.948 259 D HN 0.729 nan 8.370 nan 0.000 0.460 260 E N 1.048 121.142 120.200 -0.177 0.000 2.077 260 E HA -0.163 4.187 4.350 0.000 0.000 0.193 260 E C 1.824 178.046 176.600 -0.630 0.000 0.989 260 E CA 1.169 57.366 56.400 -0.339 0.000 0.800 260 E CB 0.018 29.559 29.700 -0.265 0.000 0.746 260 E HN 0.375 nan 8.360 nan 0.000 0.452 261 E N -0.406 119.571 120.200 -0.372 0.000 2.107 261 E HA -0.132 4.218 4.350 0.000 0.000 0.191 261 E C 2.060 178.571 176.600 -0.148 0.000 0.982 261 E CA 0.735 56.971 56.400 -0.272 0.000 0.809 261 E CB -0.161 29.462 29.700 -0.127 0.000 0.756 261 E HN 0.187 nan 8.360 nan 0.000 0.459 262 L N 1.458 122.606 121.223 -0.125 0.000 2.017 262 L HA -0.150 4.190 4.340 0.000 0.000 0.208 262 L C 2.043 178.875 176.870 -0.064 0.000 1.073 262 L CA 1.593 56.385 54.840 -0.081 0.000 0.745 262 L CB -0.293 41.711 42.059 -0.091 0.000 0.894 262 L HN 0.084 nan 8.230 nan 0.000 0.432 263 I N -1.058 119.462 120.570 -0.083 0.000 2.252 263 I HA -0.323 3.847 4.170 0.000 0.000 0.245 263 I C 2.357 178.582 176.117 0.179 0.000 1.102 263 I CA 1.456 62.762 61.300 0.010 0.000 1.385 263 I CB -0.534 37.479 38.000 0.023 0.000 1.064 263 I HN 0.417 nan 8.210 nan 0.000 0.414 264 H N -0.839 118.258 119.070 0.044 0.000 2.387 264 H HA -0.223 4.333 4.556 0.000 0.000 0.299 264 H C 2.530 177.889 175.328 0.053 0.000 1.090 264 H CA 1.296 57.374 56.048 0.050 0.000 1.332 264 H CB -0.080 29.701 29.762 0.031 0.000 1.386 264 H HN 0.473 nan 8.280 nan 0.000 0.516 265 c N 0.989 119.685 118.600 0.160 0.000 2.436 265 c HA -0.124 4.446 4.570 0.000 0.000 0.277 265 c C 2.646 176.799 174.090 0.104 0.000 1.241 265 c CA 0.688 57.078 56.329 0.101 0.000 1.721 265 c CB -1.192 41.350 42.510 0.054 0.000 2.043 265 c HN 0.478 nan 8.230 nan 0.000 0.472 266 L N 0.337 121.627 121.223 0.111 0.000 2.127 266 L HA -0.145 4.195 4.340 0.000 0.000 0.211 266 L C 2.842 179.850 176.870 0.229 0.000 1.089 266 L CA 1.584 56.519 54.840 0.157 0.000 0.757 266 L CB -0.613 41.525 42.059 0.133 0.000 0.899 266 L HN 0.389 nan 8.230 nan 0.000 0.434 267 R N -0.573 120.063 120.500 0.226 0.000 2.276 267 R HA -0.055 4.285 4.340 0.000 0.000 0.203 267 R C 1.670 178.016 176.300 0.078 0.000 1.017 267 R CA 0.358 56.538 56.100 0.134 0.000 1.010 267 R CB 0.085 30.460 30.300 0.125 0.000 0.900 267 R HN 0.321 nan 8.270 nan 0.000 0.469 268 E N 0.600 120.851 120.200 0.085 0.000 2.385 268 E HA 0.023 4.373 4.350 0.000 0.000 0.194 268 E C 0.095 176.731 176.600 0.060 0.000 1.013 268 E CA 0.530 56.966 56.400 0.059 0.000 0.866 268 E CB 0.293 30.028 29.700 0.058 0.000 0.832 268 E HN 0.064 nan 8.360 nan 0.000 0.500 269 K N 1.749 122.194 120.400 0.074 0.000 2.237 269 K HA 0.198 4.518 4.320 0.000 0.000 0.270 269 K C 0.427 177.079 176.600 0.087 0.000 1.015 269 K CA -0.109 56.224 56.287 0.077 0.000 0.949 269 K CB 0.929 33.478 32.500 0.082 0.000 0.976 269 K HN -0.088 nan 8.250 nan 0.000 0.472 270 K N 2.327 122.778 120.400 0.085 0.000 2.237 270 K HA 0.066 4.386 4.320 0.000 0.000 0.270 270 K C -1.627 175.063 176.600 0.150 0.000 1.015 270 K CA -1.605 54.737 56.287 0.091 0.000 0.949 270 K CB 0.229 32.769 32.500 0.068 0.000 0.976 270 K HN 0.165 nan 8.250 nan 0.000 0.472 271 P HA -0.261 nan 4.420 nan 0.000 0.217 271 P C 1.108 178.611 177.300 0.337 0.000 1.158 271 P CA 1.377 64.687 63.100 0.350 0.000 0.887 271 P CB 0.248 31.985 31.700 0.061 0.000 0.792 272 Q N -0.311 119.601 119.800 0.187 0.000 2.291 272 Q HA -0.164 4.176 4.340 0.000 0.000 0.206 272 Q C 1.826 177.923 176.000 0.162 0.000 0.976 272 Q CA 1.491 57.394 55.803 0.167 0.000 0.875 272 Q CB -0.677 28.125 28.738 0.107 0.000 0.927 272 Q HN 0.381 nan 8.270 nan 0.000 0.450 273 E N -1.053 119.233 120.200 0.144 0.000 2.158 273 E HA -0.128 4.222 4.350 0.000 0.000 0.191 273 E C 1.461 178.132 176.600 0.119 0.000 0.982 273 E CA 0.593 57.063 56.400 0.118 0.000 0.823 273 E CB 0.070 29.827 29.700 0.094 0.000 0.766 273 E HN 0.222 nan 8.360 nan 0.000 0.468 274 L N 0.666 121.963 121.223 0.124 0.000 2.056 274 L HA -0.138 4.202 4.340 0.000 0.000 0.207 274 L C 2.180 179.114 176.870 0.107 0.000 1.078 274 L CA 1.455 56.327 54.840 0.054 0.000 0.749 274 L CB -0.433 41.564 42.059 -0.103 0.000 0.901 274 L HN 0.139 nan 8.230 nan 0.000 0.433 275 I N -0.612 120.081 120.570 0.205 0.000 2.252 275 I HA -0.261 3.909 4.170 0.000 0.000 0.245 275 I C 1.814 178.095 176.117 0.274 0.000 1.102 275 I CA 0.996 62.455 61.300 0.266 0.000 1.385 275 I CB -0.439 37.768 38.000 0.345 0.000 1.064 275 I HN 0.224 nan 8.210 nan 0.000 0.414 276 D N 0.435 120.976 120.400 0.236 0.000 2.311 276 D HA -0.118 4.523 4.640 0.000 0.000 0.212 276 D C 1.874 178.308 176.300 0.222 0.000 0.972 276 D CA 1.416 55.557 54.000 0.235 0.000 0.887 276 D CB 0.058 40.959 40.800 0.169 0.000 0.915 276 D HN 0.410 nan 8.370 nan 0.000 0.497 277 V N -3.015 117.007 119.914 0.181 0.000 3.477 277 V HA 0.184 4.304 4.120 0.000 0.000 0.297 277 V C 1.838 178.012 176.094 0.133 0.000 1.433 277 V CA -0.102 62.289 62.300 0.153 0.000 1.052 277 V CB 0.355 32.246 31.823 0.112 0.000 0.895 277 V HN -0.099 nan 8.190 nan 0.000 0.438 278 E N 1.010 121.274 120.200 0.105 0.000 2.086 278 E HA -0.290 4.061 4.350 0.000 0.000 0.205 278 E C 1.578 178.050 176.600 -0.213 0.000 1.027 278 E CA 2.900 59.285 56.400 -0.026 0.000 0.830 278 E CB -0.253 29.324 29.700 -0.205 0.000 0.751 278 E HN 0.821 nan 8.360 nan 0.000 0.456 279 W N 0.656 121.958 121.300 0.002 0.000 2.699 279 W HA -0.008 4.652 4.660 0.000 0.000 0.249 279 W C 1.671 178.156 176.519 -0.056 0.000 1.280 279 W CA 0.142 57.443 57.345 -0.073 0.000 1.345 279 W CB -0.091 29.304 29.460 -0.109 0.000 1.128 279 W HN 0.114 nan 8.180 nan 0.000 0.642 280 N N 0.122 118.904 118.700 0.136 0.000 2.494 280 N HA -0.099 4.641 4.740 0.000 0.000 0.182 280 N C 1.813 177.330 175.510 0.010 0.000 1.076 280 N CA 1.416 54.514 53.050 0.081 0.000 0.908 280 N CB -0.626 37.910 38.487 0.081 0.000 0.967 280 N HN 0.256 nan 8.380 nan 0.000 0.449 281 V N -2.035 117.851 119.914 -0.047 0.000 3.406 281 V HA 0.196 4.316 4.120 0.000 0.000 0.263 281 V C 0.873 176.866 176.094 -0.168 0.000 1.172 281 V CA 0.028 62.260 62.300 -0.113 0.000 1.140 281 V CB -0.644 31.078 31.823 -0.168 0.000 0.784 281 V HN 0.018 nan 8.190 nan 0.000 0.467 282 L N 2.135 123.275 121.223 -0.137 0.000 2.514 282 L HA 0.163 4.503 4.340 0.000 0.000 0.280 282 L C -0.285 176.473 176.870 -0.188 0.000 1.223 282 L CA -0.688 54.066 54.840 -0.142 0.000 0.864 282 L CB 0.594 42.635 42.059 -0.031 0.000 1.118 282 L HN 0.182 nan 8.230 nan 0.000 0.494 283 P HA -0.010 nan 4.420 nan 0.000 0.227 283 P C -0.309 176.560 177.300 -0.719 0.000 1.161 283 P CA 1.041 63.762 63.100 -0.632 0.000 0.788 283 P CB 0.337 31.461 31.700 -0.960 0.000 0.822 284 F N -0.688 119.263 119.950 0.002 0.000 2.629 284 F HA 0.365 4.892 4.527 0.000 0.000 0.316 284 F C 0.323 176.130 175.800 0.013 0.000 1.081 284 F CA -1.480 56.527 58.000 0.011 0.000 0.954 284 F CB 0.314 39.326 39.000 0.019 0.000 1.337 284 F HN -0.384 nan 8.300 nan 0.000 0.474 285 D N 1.440 121.976 120.400 0.228 0.000 2.390 285 D HA 0.436 5.076 4.640 0.000 0.000 0.249 285 D C -0.167 176.208 176.300 0.126 0.000 1.144 285 D CA 0.612 54.687 54.000 0.125 0.000 0.880 285 D CB 1.117 41.969 40.800 0.087 0.000 1.182 285 D HN 0.662 nan 8.370 nan 0.000 0.451 286 S N 1.044 116.797 115.700 0.089 0.000 2.683 286 S HA 0.699 5.169 4.470 0.000 0.000 0.269 286 S C -0.704 173.918 174.600 0.035 0.000 1.165 286 S CA -0.998 57.247 58.200 0.074 0.000 0.840 286 S CB 1.005 64.274 63.200 0.114 0.000 1.169 286 S HN 0.454 nan 8.310 nan 0.000 0.490 287 I N -3.274 117.315 120.570 0.032 0.000 2.865 287 I HA 0.801 4.971 4.170 0.000 0.000 0.302 287 I C -0.573 175.540 176.117 -0.007 0.000 1.140 287 I CA -1.098 60.218 61.300 0.026 0.000 1.021 287 I CB 1.554 39.605 38.000 0.085 0.000 1.233 287 I HN 0.806 nan 8.210 nan 0.000 0.427 288 F N 2.372 122.127 119.950 -0.324 0.000 3.039 288 F HA -0.172 4.356 4.527 0.000 0.000 0.287 288 F C -0.482 174.804 175.800 -0.856 0.000 0.956 288 F CA 0.611 58.157 58.000 -0.757 0.000 0.971 288 F CB -0.559 37.964 39.000 -0.794 0.000 0.943 288 F HN 0.624 nan 8.300 nan 0.000 0.766 289 R N 1.057 121.084 120.500 -0.789 0.000 2.515 289 R HA 0.486 4.826 4.340 0.000 0.000 0.291 289 R C -1.097 174.811 176.300 -0.654 0.000 1.046 289 R CA -0.506 55.252 56.100 -0.570 0.000 0.914 289 R CB 0.997 31.214 30.300 -0.138 0.000 1.191 289 R HN 0.005 nan 8.270 nan 0.000 0.435 290 F N -0.260 119.789 119.950 0.165 0.000 2.508 290 F HA 0.402 4.930 4.527 0.000 0.000 0.325 290 F C 1.695 177.408 175.800 -0.145 0.000 1.090 290 F CA -0.784 57.232 58.000 0.026 0.000 0.945 290 F CB 1.608 40.725 39.000 0.194 0.000 1.156 290 F HN 0.330 nan 8.300 nan 0.000 0.463 291 S N 0.837 116.388 115.700 -0.247 0.000 2.363 291 S HA -0.100 4.370 4.470 0.000 0.000 0.218 291 S C 0.191 174.385 174.600 -0.676 0.000 1.035 291 S CA 1.261 59.101 58.200 -0.600 0.000 1.043 291 S CB -0.308 62.320 63.200 -0.954 0.000 0.986 291 S HN 0.347 nan 8.310 nan 0.000 0.423 292 F N 1.944 121.911 119.950 0.028 0.000 2.334 292 F HA 0.535 5.062 4.527 0.000 0.000 0.367 292 F C 0.167 176.011 175.800 0.074 0.000 1.115 292 F CA -0.936 57.120 58.000 0.092 0.000 1.116 292 F CB 0.705 39.792 39.000 0.146 0.000 1.230 292 F HN -0.033 nan 8.300 nan 0.000 0.484 293 V N 1.013 120.933 119.914 0.011 0.000 3.158 293 V HA 0.751 4.871 4.120 0.000 0.000 0.311 293 V C -2.869 172.909 176.094 -0.526 0.000 1.181 293 V CA -3.379 58.635 62.300 -0.478 0.000 1.054 293 V CB 1.949 33.643 31.823 -0.215 0.000 1.085 293 V HN 0.263 nan 8.190 nan 0.000 0.446 294 P HA 0.212 nan 4.420 nan 0.000 0.266 294 P C -0.616 176.574 177.300 -0.184 0.000 1.186 294 P CA 0.370 63.217 63.100 -0.422 0.000 0.767 294 P CB 0.362 31.735 31.700 -0.546 0.000 0.820 295 V N 0.866 120.771 119.914 -0.016 0.000 2.680 295 V HA 0.430 4.550 4.120 0.000 0.000 0.309 295 V C -0.040 176.083 176.094 0.049 0.000 1.052 295 V CA -0.898 61.386 62.300 -0.028 0.000 0.908 295 V CB 1.857 33.676 31.823 -0.007 0.000 1.001 295 V HN 0.211 nan 8.190 nan 0.000 0.431 296 I N 4.885 125.418 120.570 -0.062 0.000 2.357 296 I HA 0.182 4.353 4.170 0.000 0.000 0.300 296 I C 0.910 177.017 176.117 -0.017 0.000 1.159 296 I CA 0.178 61.468 61.300 -0.017 0.000 1.339 296 I CB -0.181 37.735 38.000 -0.139 0.000 1.458 296 I HN 0.966 nan 8.210 nan 0.000 0.577 297 D N 3.313 123.753 120.400 0.067 0.000 2.346 297 D HA 0.039 4.679 4.640 0.000 0.000 0.206 297 D C 1.413 177.701 176.300 -0.021 0.000 1.001 297 D CA 0.782 54.711 54.000 -0.119 0.000 0.871 297 D CB 0.330 41.136 40.800 0.010 0.000 0.943 297 D HN 0.628 nan 8.370 nan 0.000 0.518 298 G N 0.458 109.319 108.800 0.102 0.000 2.143 298 G HA2 -0.340 3.620 3.960 0.000 0.000 0.249 298 G HA3 -0.340 3.620 3.960 0.000 0.000 0.249 298 G C 0.615 175.589 174.900 0.122 0.000 0.981 298 G CA 0.604 45.770 45.100 0.110 0.000 0.665 298 G HN 0.494 nan 8.290 nan 0.000 0.528 299 E N -1.703 118.582 120.200 0.142 0.000 2.870 299 E HA 0.373 4.723 4.350 0.000 0.000 0.185 299 E C 1.730 178.374 176.600 0.073 0.000 1.084 299 E CA -0.231 56.237 56.400 0.114 0.000 1.246 299 E CB 0.104 29.893 29.700 0.148 0.000 1.382 299 E HN 0.257 nan 8.360 nan 0.000 0.492 300 F N 0.461 120.341 119.950 -0.116 0.000 2.259 300 F HA 0.134 4.661 4.527 0.000 0.000 0.298 300 F C 0.011 175.516 175.800 -0.490 0.000 1.088 300 F CA 0.886 58.682 58.000 -0.339 0.000 1.358 300 F CB 0.400 39.100 39.000 -0.501 0.000 1.040 300 F HN -0.097 nan 8.300 nan 0.000 0.505 301 F N 1.077 121.189 119.950 0.270 0.000 2.366 301 F HA 0.378 4.905 4.527 0.000 0.000 0.366 301 F C -1.663 174.186 175.800 0.081 0.000 1.096 301 F CA -2.943 55.152 58.000 0.159 0.000 1.060 301 F CB 0.625 39.704 39.000 0.131 0.000 1.282 301 F HN -0.238 nan 8.300 nan 0.000 0.450 302 P HA -0.136 nan 4.420 nan 0.000 0.216 302 P C 0.391 177.757 177.300 0.109 0.000 1.157 302 P CA 1.951 65.117 63.100 0.111 0.000 0.880 302 P CB 0.178 31.921 31.700 0.072 0.000 0.791 303 T N -6.675 107.953 114.554 0.124 0.000 2.654 303 T HA 0.454 4.804 4.350 0.000 0.000 0.289 303 T C -0.285 174.461 174.700 0.076 0.000 1.062 303 T CA -0.711 61.438 62.100 0.083 0.000 1.041 303 T CB 0.731 69.634 68.868 0.058 0.000 1.417 303 T HN -0.012 nan 8.240 nan 0.000 0.510 304 S N 0.012 115.732 115.700 0.033 0.000 2.563 304 S HA 0.124 4.594 4.470 0.000 0.000 0.284 304 S C 1.492 176.094 174.600 0.004 0.000 1.331 304 S CA -0.667 57.528 58.200 -0.008 0.000 1.047 304 S CB -0.440 62.753 63.200 -0.011 0.000 0.859 304 S HN 0.659 nan 8.310 nan 0.000 0.514 305 L N 0.837 122.021 121.223 -0.065 0.000 2.043 305 L HA -0.146 4.194 4.340 0.000 0.000 0.212 305 L C 2.938 179.841 176.870 0.056 0.000 1.075 305 L CA 2.091 56.910 54.840 -0.035 0.000 0.752 305 L CB -0.783 41.189 42.059 -0.146 0.000 0.891 305 L HN 0.825 nan 8.230 nan 0.000 0.432 306 E N 0.553 120.783 120.200 0.050 0.000 2.077 306 E HA -0.203 4.147 4.350 0.000 0.000 0.193 306 E C 2.265 178.930 176.600 0.108 0.000 0.989 306 E CA 1.722 58.186 56.400 0.106 0.000 0.800 306 E CB -0.109 29.645 29.700 0.090 0.000 0.746 306 E HN 0.482 nan 8.360 nan 0.000 0.452 307 S N -0.426 115.320 115.700 0.078 0.000 2.382 307 S HA -0.188 4.282 4.470 0.000 0.000 0.228 307 S C 2.119 176.771 174.600 0.086 0.000 1.027 307 S CA 1.394 59.638 58.200 0.072 0.000 0.991 307 S CB -0.388 62.841 63.200 0.049 0.000 0.823 307 S HN 0.272 nan 8.310 nan 0.000 0.469 308 M N 0.950 120.619 119.600 0.115 0.000 2.099 308 M HA 0.066 4.546 4.480 0.000 0.000 0.262 308 M C 2.283 178.738 176.300 0.257 0.000 1.067 308 M CA 1.353 56.748 55.300 0.159 0.000 1.124 308 M CB -0.661 32.069 32.600 0.216 0.000 1.353 308 M HN 0.286 nan 8.290 nan 0.000 0.410 309 L N 0.184 121.569 121.223 0.270 0.000 2.042 309 L HA -0.261 4.079 4.340 0.000 0.000 0.210 309 L C 2.242 179.308 176.870 0.327 0.000 1.076 309 L CA 1.049 56.085 54.840 0.327 0.000 0.749 309 L CB -0.861 41.282 42.059 0.140 0.000 0.893 309 L HN 0.371 nan 8.230 nan 0.000 0.432 310 N N -0.219 118.603 118.700 0.203 0.000 2.106 310 N HA -0.144 4.596 4.740 0.000 0.000 0.188 310 N C 1.996 177.601 175.510 0.159 0.000 1.029 310 N CA 1.763 54.929 53.050 0.194 0.000 0.848 310 N CB -0.374 38.192 38.487 0.132 0.000 1.007 310 N HN 0.330 nan 8.380 nan 0.000 0.423 311 S N -0.676 115.035 115.700 0.019 0.000 2.607 311 S HA 0.153 4.623 4.470 0.000 0.000 0.224 311 S C 1.379 175.660 174.600 -0.532 0.000 0.969 311 S CA 0.645 58.770 58.200 -0.125 0.000 0.927 311 S CB -0.237 62.906 63.200 -0.095 0.000 0.772 311 S HN 0.468 nan 8.310 nan 0.000 0.533 312 G N 1.771 110.086 108.800 -0.808 0.000 2.160 312 G HA2 -0.295 3.666 3.960 0.000 0.000 0.251 312 G HA3 -0.295 3.666 3.960 0.000 0.000 0.251 312 G C 0.003 174.046 174.900 -1.428 0.000 1.008 312 G CA 0.099 44.024 45.100 -1.958 0.000 0.724 312 G HN 0.636 nan 8.290 nan 0.000 0.514 313 N N 0.659 118.975 118.700 -0.640 0.000 2.819 313 N HA 0.492 5.233 4.740 0.000 0.000 0.284 313 N C -0.130 175.332 175.510 -0.080 0.000 1.196 313 N CA 0.033 52.889 53.050 -0.324 0.000 1.114 313 N CB -0.960 37.467 38.487 -0.100 0.000 1.437 313 N HN 0.777 nan 8.380 nan 0.000 0.518 314 F N -1.107 118.799 119.950 -0.072 0.000 2.799 314 F HA 0.368 4.895 4.527 0.000 0.000 0.316 314 F C -0.399 175.434 175.800 0.056 0.000 1.155 314 F CA -1.456 56.574 58.000 0.049 0.000 0.916 314 F CB 0.520 39.616 39.000 0.160 0.000 1.294 314 F HN -0.116 nan 8.300 nan 0.000 0.447 315 K N 1.630 122.293 120.400 0.440 0.000 2.472 315 K HA 0.173 4.493 4.320 0.000 0.000 0.280 315 K C -1.037 175.824 176.600 0.435 0.000 1.028 315 K CA -0.048 56.413 56.287 0.290 0.000 1.045 315 K CB 0.453 33.074 32.500 0.203 0.000 0.902 315 K HN 0.638 nan 8.250 nan 0.000 0.478 316 K N 2.762 123.281 120.400 0.199 0.000 2.253 316 K HA 0.236 4.556 4.320 0.000 0.000 0.277 316 K C -0.284 176.437 176.600 0.201 0.000 1.053 316 K CA -0.241 56.157 56.287 0.186 0.000 0.892 316 K CB 1.875 34.392 32.500 0.030 0.000 1.102 316 K HN 0.700 nan 8.250 nan 0.000 0.469 317 T N 1.280 116.041 114.554 0.345 0.000 2.647 317 T HA 0.267 4.618 4.350 0.000 0.000 0.302 317 T C -1.527 173.381 174.700 0.347 0.000 1.389 317 T CA -0.716 61.534 62.100 0.251 0.000 1.037 317 T CB 0.510 69.476 68.868 0.165 0.000 1.755 317 T HN 0.380 nan 8.240 nan 0.000 0.467 318 Q N 1.321 121.284 119.800 0.272 0.000 2.241 318 Q HA 0.732 5.072 4.340 0.000 0.000 0.254 318 Q C -0.306 175.998 176.000 0.506 0.000 0.917 318 Q CA -0.422 55.609 55.803 0.380 0.000 0.919 318 Q CB 1.204 30.130 28.738 0.313 0.000 1.237 318 Q HN 0.664 nan 8.270 nan 0.000 0.434 319 I N -1.112 119.701 120.570 0.404 0.000 2.689 319 I HA 0.711 4.881 4.170 0.000 0.000 0.299 319 I C -1.340 174.693 176.117 -0.140 0.000 1.059 319 I CA -1.418 59.972 61.300 0.150 0.000 1.055 319 I CB 1.877 39.798 38.000 -0.132 0.000 1.243 319 I HN 0.546 nan 8.210 nan 0.000 0.425 320 L N 6.955 127.860 121.223 -0.530 0.000 2.406 320 L HA 0.685 5.025 4.340 0.000 0.000 0.270 320 L C -1.314 175.336 176.870 -0.367 0.000 0.982 320 L CA -0.462 53.949 54.840 -0.715 0.000 0.843 320 L CB 1.444 42.496 42.059 -1.678 0.000 1.225 320 L HN 0.797 nan 8.230 nan 0.000 0.412 321 L N 2.147 123.277 121.223 -0.154 0.000 2.359 321 L HA 1.133 5.473 4.340 0.000 0.000 0.256 321 L C -0.556 176.063 176.870 -0.418 0.000 1.026 321 L CA -0.532 54.226 54.840 -0.137 0.000 0.828 321 L CB 2.036 44.021 42.059 -0.123 0.000 1.406 321 L HN 0.597 nan 8.230 nan 0.000 0.413 322 G N -0.157 108.155 108.800 -0.813 0.000 2.554 322 G HA2 0.646 4.606 3.960 0.000 0.000 0.306 322 G HA3 0.646 4.606 3.960 0.000 0.000 0.306 322 G C -1.431 173.118 174.900 -0.585 0.000 1.320 322 G CA -0.008 44.218 45.100 -1.457 0.000 0.800 322 G HN 1.324 nan 8.290 nan 0.000 0.481 323 V N -2.733 117.025 119.914 -0.259 0.000 3.206 323 V HA 0.817 4.937 4.120 0.000 0.000 0.305 323 V C -1.240 174.952 176.094 0.163 0.000 1.257 323 V CA -1.416 60.925 62.300 0.069 0.000 1.057 323 V CB 1.818 33.708 31.823 0.111 0.000 1.075 323 V HN 0.681 nan 8.190 nan 0.000 0.443 324 N N 0.752 119.547 118.700 0.159 0.000 2.477 324 N HA 0.440 5.180 4.740 0.000 0.000 0.284 324 N C 0.575 176.056 175.510 -0.049 0.000 1.182 324 N CA -0.450 52.669 53.050 0.116 0.000 0.949 324 N CB 1.778 40.409 38.487 0.241 0.000 1.204 324 N HN 0.948 nan 8.380 nan 0.000 0.526 325 K N -0.001 120.286 120.400 -0.189 0.000 2.057 325 K HA -0.070 4.250 4.320 0.000 0.000 0.207 325 K C -0.596 176.104 176.600 0.166 0.000 1.049 325 K CA 1.331 57.587 56.287 -0.053 0.000 0.931 325 K CB 0.188 32.667 32.500 -0.035 0.000 0.714 325 K HN 0.494 nan 8.250 nan 0.000 0.440 326 D N 1.240 121.728 120.400 0.147 0.000 2.795 326 D HA 0.033 4.673 4.640 0.000 0.000 0.335 326 D C 0.125 176.541 176.300 0.193 0.000 1.262 326 D CA -0.090 54.009 54.000 0.165 0.000 0.885 326 D CB 1.231 42.098 40.800 0.113 0.000 1.047 326 D HN 0.176 nan 8.370 nan 0.000 0.500 327 E N 0.464 120.807 120.200 0.240 0.000 2.171 327 E HA -0.137 4.214 4.350 0.000 0.000 0.197 327 E C 1.920 178.733 176.600 0.356 0.000 0.997 327 E CA 0.770 57.367 56.400 0.329 0.000 0.810 327 E CB 0.111 29.994 29.700 0.306 0.000 0.738 327 E HN 0.427 nan 8.360 nan 0.000 0.467 328 G N 0.876 109.842 108.800 0.276 0.000 2.744 328 G HA2 -0.131 3.829 3.960 0.000 0.000 0.211 328 G HA3 -0.131 3.829 3.960 0.000 0.000 0.211 328 G C 1.666 176.727 174.900 0.269 0.000 1.146 328 G CA 0.676 45.970 45.100 0.322 0.000 0.787 328 G HN 0.347 nan 8.290 nan 0.000 0.534 329 S N 0.616 116.400 115.700 0.139 0.000 2.387 329 S HA -0.175 4.295 4.470 0.000 0.000 0.230 329 S C 2.054 176.578 174.600 -0.127 0.000 1.035 329 S CA 1.056 59.250 58.200 -0.010 0.000 1.014 329 S CB -0.553 62.483 63.200 -0.273 0.000 0.836 329 S HN 0.169 nan 8.310 nan 0.000 0.466 330 F N 1.918 121.669 119.950 -0.331 0.000 2.134 330 F HA 0.067 4.595 4.527 0.000 0.000 0.299 330 F C 1.697 177.193 175.800 -0.507 0.000 1.097 330 F CA 0.765 58.425 58.000 -0.566 0.000 1.264 330 F CB -0.533 37.954 39.000 -0.855 0.000 1.001 330 F HN 0.188 nan 8.300 nan 0.000 0.479 331 F N -0.798 119.177 119.950 0.042 0.000 2.367 331 F HA -0.046 4.481 4.527 0.000 0.000 0.298 331 F C 2.113 177.911 175.800 -0.004 0.000 1.094 331 F CA 0.625 58.605 58.000 -0.033 0.000 1.409 331 F CB -0.861 38.033 39.000 -0.176 0.000 1.064 331 F HN -0.123 nan 8.300 nan 0.000 0.528 332 L N -0.648 120.598 121.223 0.039 0.000 2.072 332 L HA -0.157 4.183 4.340 0.000 0.000 0.205 332 L C 2.428 179.197 176.870 -0.169 0.000 1.079 332 L CA 0.569 55.240 54.840 -0.282 0.000 0.752 332 L CB -0.596 40.897 42.059 -0.944 0.000 0.906 332 L HN 0.156 nan 8.230 nan 0.000 0.436 333 L N -1.133 120.120 121.223 0.050 0.000 2.079 333 L HA -0.253 4.087 4.340 0.000 0.000 0.210 333 L C 2.243 179.252 176.870 0.231 0.000 1.081 333 L CA 1.990 56.998 54.840 0.281 0.000 0.752 333 L CB -0.533 41.700 42.059 0.289 0.000 0.896 333 L HN 0.128 nan 8.230 nan 0.000 0.433 334 Y N -1.015 119.337 120.300 0.088 0.000 2.365 334 Y HA 0.225 4.775 4.550 0.000 0.000 0.293 334 Y C 2.281 178.196 175.900 0.025 0.000 1.119 334 Y CA 0.965 59.103 58.100 0.063 0.000 1.203 334 Y CB -0.186 38.296 38.460 0.037 0.000 1.026 334 Y HN 0.234 nan 8.280 nan 0.000 0.549 335 G N -1.555 107.353 108.800 0.181 0.000 3.342 335 G HA2 0.477 4.437 3.960 0.000 0.000 0.252 335 G HA3 0.477 4.437 3.960 0.000 0.000 0.252 335 G C -0.199 174.770 174.900 0.114 0.000 1.011 335 G CA 0.384 45.547 45.100 0.106 0.000 0.869 335 G HN 0.256 nan 8.290 nan 0.000 0.514 336 A N 1.514 124.436 122.820 0.171 0.000 2.330 336 A HA 0.830 5.150 4.320 0.000 0.000 0.327 336 A C -2.595 175.194 177.584 0.342 0.000 1.155 336 A CA -1.607 50.582 52.037 0.253 0.000 0.803 336 A CB 1.644 20.825 19.000 0.302 0.000 1.208 336 A HN 0.051 nan 8.150 nan 0.000 0.477 337 P HA 0.278 nan 4.420 nan 0.000 0.268 337 P C 0.889 178.172 177.300 -0.028 0.000 1.205 337 P CA 1.462 64.614 63.100 0.086 0.000 0.771 337 P CB 1.147 32.870 31.700 0.039 0.000 0.858 338 G N 1.494 110.229 108.800 -0.108 0.000 2.241 338 G HA2 -0.234 3.726 3.960 0.000 0.000 0.244 338 G HA3 -0.234 3.726 3.960 0.000 0.000 0.244 338 G C -0.171 174.471 174.900 -0.431 0.000 0.998 338 G CA -0.421 44.496 45.100 -0.304 0.000 0.621 338 G HN 0.428 nan 8.290 nan 0.000 0.519 339 F N 1.829 121.719 119.950 -0.100 0.000 2.396 339 F HA 0.716 5.243 4.527 0.000 0.000 0.343 339 F C 0.756 176.555 175.800 -0.003 0.000 1.104 339 F CA 0.124 58.044 58.000 -0.133 0.000 1.161 339 F CB 2.004 40.983 39.000 -0.036 0.000 1.146 339 F HN 0.143 nan 8.300 nan 0.000 0.522 340 S N 2.304 118.125 115.700 0.202 0.000 2.536 340 S HA 0.260 4.731 4.470 0.000 0.000 0.271 340 S C 0.427 175.238 174.600 0.352 0.000 1.134 340 S CA -0.868 57.464 58.200 0.220 0.000 0.897 340 S CB 1.628 64.878 63.200 0.084 0.000 1.094 340 S HN 0.780 nan 8.310 nan 0.000 0.473 341 K N 1.462 122.002 120.400 0.232 0.000 2.288 341 K HA 0.034 4.354 4.320 0.000 0.000 0.201 341 K C -0.097 176.515 176.600 0.019 0.000 1.048 341 K CA 1.281 57.620 56.287 0.087 0.000 0.956 341 K CB -0.002 32.248 32.500 -0.418 0.000 0.746 341 K HN 0.632 nan 8.250 nan 0.000 0.461 342 D N 0.439 120.845 120.400 0.012 0.000 2.424 342 D HA 0.028 4.668 4.640 0.000 0.000 0.220 342 D C -0.168 176.154 176.300 0.036 0.000 1.150 342 D CA 0.121 54.111 54.000 -0.016 0.000 0.831 342 D CB 0.972 41.736 40.800 -0.060 0.000 0.981 342 D HN 0.021 nan 8.370 nan 0.000 0.500 343 S N -0.315 115.443 115.700 0.098 0.000 2.661 343 S HA 0.215 4.685 4.470 0.000 0.000 0.285 343 S C 0.458 175.107 174.600 0.080 0.000 1.138 343 S CA -0.545 57.685 58.200 0.050 0.000 0.855 343 S CB 2.025 65.213 63.200 -0.020 0.000 1.136 343 S HN -0.129 nan 8.310 nan 0.000 0.484 344 E N 0.945 121.143 120.200 -0.003 0.000 2.427 344 E HA 0.104 4.455 4.350 0.000 0.000 0.196 344 E C -0.352 176.059 176.600 -0.316 0.000 1.028 344 E CA 0.445 56.834 56.400 -0.019 0.000 0.864 344 E CB -0.048 29.648 29.700 -0.007 0.000 0.813 344 E HN 0.670 nan 8.360 nan 0.000 0.514 345 S N 1.481 116.953 115.700 -0.381 0.000 3.527 345 S HA -0.172 4.298 4.470 0.000 0.000 0.409 345 S C -0.342 173.939 174.600 -0.531 0.000 0.900 345 S CA 0.622 58.471 58.200 -0.586 0.000 1.320 345 S CB -1.085 61.477 63.200 -1.064 0.000 0.915 345 S HN 0.259 nan 8.310 nan 0.000 0.575 346 K N 1.324 121.522 120.400 -0.336 0.000 2.249 346 K HA 0.374 4.694 4.320 0.000 0.000 0.280 346 K C 0.246 176.658 176.600 -0.312 0.000 1.033 346 K CA -0.486 55.645 56.287 -0.260 0.000 0.946 346 K CB 0.508 32.911 32.500 -0.162 0.000 1.005 346 K HN 0.239 nan 8.250 nan 0.000 0.469 347 I N 3.225 123.622 120.570 -0.288 0.000 2.307 347 I HA 0.031 4.201 4.170 0.000 0.000 0.289 347 I C 1.029 177.061 176.117 -0.142 0.000 1.021 347 I CA -0.313 60.826 61.300 -0.270 0.000 1.224 347 I CB 0.452 38.305 38.000 -0.244 0.000 1.376 347 I HN 0.689 nan 8.210 nan 0.000 0.470 348 S N 6.322 121.948 115.700 -0.123 0.000 2.592 348 S HA 0.042 4.513 4.470 0.000 0.000 0.256 348 S C 1.284 175.867 174.600 -0.028 0.000 1.369 348 S CA -0.076 58.079 58.200 -0.075 0.000 0.984 348 S CB 1.140 64.305 63.200 -0.059 0.000 0.919 348 S HN 0.621 nan 8.310 nan 0.000 0.576 349 R N 0.594 121.080 120.500 -0.023 0.000 2.090 349 R HA 0.043 4.383 4.340 0.000 0.000 0.228 349 R C 2.288 178.646 176.300 0.096 0.000 1.110 349 R CA 1.818 57.925 56.100 0.012 0.000 0.973 349 R CB -0.814 29.479 30.300 -0.012 0.000 0.869 349 R HN 0.865 nan 8.270 nan 0.000 0.440 350 E N 0.072 120.306 120.200 0.056 0.000 2.031 350 E HA -0.173 4.177 4.350 0.000 0.000 0.193 350 E C 1.241 177.879 176.600 0.064 0.000 0.994 350 E CA 1.530 57.965 56.400 0.057 0.000 0.800 350 E CB -0.098 29.618 29.700 0.026 0.000 0.752 350 E HN 0.365 nan 8.360 nan 0.000 0.447 351 D N 0.032 120.455 120.400 0.039 0.000 2.178 351 D HA -0.147 4.494 4.640 0.000 0.000 0.201 351 D C 1.608 177.950 176.300 0.071 0.000 0.980 351 D CA 0.563 54.577 54.000 0.023 0.000 0.842 351 D CB -0.309 40.458 40.800 -0.054 0.000 0.948 351 D HN 0.110 nan 8.370 nan 0.000 0.472 352 F N 1.159 121.088 119.950 -0.034 0.000 2.113 352 F HA -0.191 4.336 4.527 0.000 0.000 0.297 352 F C 2.206 178.019 175.800 0.022 0.000 1.103 352 F CA 1.178 59.176 58.000 -0.005 0.000 1.248 352 F CB -0.131 38.848 39.000 -0.034 0.000 0.999 352 F HN -0.201 nan 8.300 nan 0.000 0.475 353 M N 0.529 120.214 119.600 0.142 0.000 2.115 353 M HA -0.239 4.241 4.480 0.000 0.000 0.258 353 M C 2.539 178.809 176.300 -0.050 0.000 1.071 353 M CA 2.242 57.572 55.300 0.049 0.000 1.100 353 M CB -1.811 30.854 32.600 0.108 0.000 1.292 353 M HN 0.377 nan 8.290 nan 0.000 0.415 354 S N -0.223 115.470 115.700 -0.011 0.000 2.442 354 S HA -0.064 4.406 4.470 0.000 0.000 0.236 354 S C 2.034 176.611 174.600 -0.038 0.000 1.007 354 S CA 1.200 59.391 58.200 -0.015 0.000 0.965 354 S CB -1.307 61.899 63.200 0.011 0.000 0.773 354 S HN 0.581 nan 8.310 nan 0.000 0.504 355 G N 1.772 110.529 108.800 -0.071 0.000 2.402 355 G HA2 -0.134 3.826 3.960 0.000 0.000 0.216 355 G HA3 -0.134 3.826 3.960 0.000 0.000 0.216 355 G C 1.564 176.373 174.900 -0.152 0.000 1.162 355 G CA 0.929 45.986 45.100 -0.070 0.000 0.777 355 G HN 0.760 nan 8.290 nan 0.000 0.539 356 V N 0.403 120.143 119.914 -0.290 0.000 2.515 356 V HA 0.010 4.130 4.120 0.000 0.000 0.250 356 V C 2.508 178.529 176.094 -0.121 0.000 1.058 356 V CA 2.673 64.833 62.300 -0.233 0.000 1.064 356 V CB -0.357 31.296 31.823 -0.283 0.000 0.675 356 V HN 0.308 nan 8.190 nan 0.000 0.461 357 K N 0.058 120.396 120.400 -0.103 0.000 2.097 357 K HA -0.069 4.251 4.320 0.000 0.000 0.206 357 K C 1.810 178.372 176.600 -0.064 0.000 1.049 357 K CA 1.971 58.211 56.287 -0.079 0.000 0.933 357 K CB -0.588 31.878 32.500 -0.055 0.000 0.717 357 K HN 0.473 nan 8.250 nan 0.000 0.442 358 L N 0.395 121.596 121.223 -0.037 0.000 2.179 358 L HA 0.059 4.399 4.340 0.000 0.000 0.208 358 L C 1.913 178.787 176.870 0.006 0.000 1.096 358 L CA 1.472 56.311 54.840 -0.001 0.000 0.779 358 L CB -0.530 41.541 42.059 0.021 0.000 0.922 358 L HN 0.134 nan 8.230 nan 0.000 0.443 359 S N -1.657 114.033 115.700 -0.016 0.000 2.446 359 S HA 0.064 4.534 4.470 0.000 0.000 0.225 359 S C 0.964 175.562 174.600 -0.004 0.000 1.016 359 S CA 0.383 58.583 58.200 -0.001 0.000 0.943 359 S CB 0.275 63.457 63.200 -0.030 0.000 0.786 359 S HN 0.140 nan 8.310 nan 0.000 0.508 360 V N 3.434 123.311 119.914 -0.062 0.000 2.446 360 V HA 0.200 4.321 4.120 0.000 0.000 0.257 360 V C -1.688 174.295 176.094 -0.185 0.000 1.036 360 V CA -1.396 60.820 62.300 -0.140 0.000 1.196 360 V CB 0.642 32.339 31.823 -0.210 0.000 1.446 360 V HN 0.194 nan 8.190 nan 0.000 0.558 361 P HA -0.236 nan 4.420 nan 0.000 0.217 361 P C 1.330 178.267 177.300 -0.605 0.000 1.151 361 P CA 1.868 64.830 63.100 -0.230 0.000 0.849 361 P CB 0.035 31.749 31.700 0.024 0.000 0.787 362 H N -0.384 118.432 119.070 -0.424 0.000 2.502 362 H HA 0.328 4.884 4.556 0.000 0.000 0.283 362 H C 0.806 175.974 175.328 -0.266 0.000 1.015 362 H CA 0.222 56.044 56.048 -0.377 0.000 1.298 362 H CB -1.125 28.588 29.762 -0.082 0.000 1.411 362 H HN 0.014 nan 8.280 nan 0.000 0.556 363 A N 2.403 124.819 122.820 -0.672 0.000 2.407 363 A HA 0.197 4.518 4.320 0.000 0.000 0.248 363 A C 0.459 177.883 177.584 -0.267 0.000 1.082 363 A CA -0.081 51.687 52.037 -0.449 0.000 0.785 363 A CB 0.110 18.857 19.000 -0.421 0.000 1.020 363 A HN 0.725 nan 8.150 nan 0.000 0.489 364 N N 0.684 119.276 118.700 -0.180 0.000 2.418 364 N HA 0.140 4.881 4.740 0.000 0.000 0.283 364 N C 0.133 175.587 175.510 -0.094 0.000 1.267 364 N CA -0.213 52.766 53.050 -0.118 0.000 0.975 364 N CB 0.239 38.676 38.487 -0.083 0.000 1.167 364 N HN 0.509 nan 8.380 nan 0.000 0.581 365 D N -0.913 119.452 120.400 -0.059 0.000 2.144 365 D HA -0.125 4.516 4.640 0.000 0.000 0.199 365 D C 1.685 177.975 176.300 -0.018 0.000 0.984 365 D CA 0.913 54.893 54.000 -0.034 0.000 0.834 365 D CB -0.115 40.674 40.800 -0.018 0.000 0.955 365 D HN 0.367 nan 8.370 nan 0.000 0.465 366 L N 1.212 122.423 121.223 -0.021 0.000 2.093 366 L HA -0.006 4.335 4.340 0.000 0.000 0.208 366 L C 2.278 179.151 176.870 0.004 0.000 1.085 366 L CA 1.862 56.701 54.840 -0.001 0.000 0.755 366 L CB -0.897 41.155 42.059 -0.011 0.000 0.904 366 L HN 0.001 nan 8.230 nan 0.000 0.435 367 G N -0.558 108.216 108.800 -0.044 0.000 2.422 367 G HA2 -0.221 3.740 3.960 0.000 0.000 0.218 367 G HA3 -0.221 3.740 3.960 0.000 0.000 0.218 367 G C 1.594 176.489 174.900 -0.009 0.000 1.146 367 G CA 1.017 46.083 45.100 -0.057 0.000 0.769 367 G HN 0.425 nan 8.290 nan 0.000 0.547 368 L N 0.427 121.634 121.223 -0.026 0.000 2.056 368 L HA -0.049 4.291 4.340 0.000 0.000 0.207 368 L C 2.480 179.387 176.870 0.061 0.000 1.078 368 L CA 1.125 55.965 54.840 -0.000 0.000 0.749 368 L CB -0.381 41.663 42.059 -0.024 0.000 0.901 368 L HN 0.121 nan 8.230 nan 0.000 0.433 369 D N 0.301 120.742 120.400 0.069 0.000 2.144 369 D HA -0.144 4.496 4.640 0.000 0.000 0.199 369 D C 2.214 178.593 176.300 0.131 0.000 0.984 369 D CA 1.460 55.522 54.000 0.105 0.000 0.834 369 D CB 0.052 40.903 40.800 0.084 0.000 0.955 369 D HN 0.308 nan 8.370 nan 0.000 0.465 370 A N 0.854 123.763 122.820 0.149 0.000 1.858 370 A HA -0.145 4.176 4.320 0.000 0.000 0.216 370 A C 2.588 180.259 177.584 0.144 0.000 1.190 370 A CA 1.318 53.489 52.037 0.223 0.000 0.617 370 A CB -0.857 18.376 19.000 0.388 0.000 0.827 370 A HN 0.132 nan 8.150 nan 0.000 0.443 371 V N -0.153 119.878 119.914 0.195 0.000 2.287 371 V HA -0.254 3.867 4.120 0.000 0.000 0.248 371 V C 2.773 178.957 176.094 0.150 0.000 1.053 371 V CA 2.551 64.930 62.300 0.132 0.000 1.027 371 V CB -1.320 30.606 31.823 0.171 0.000 0.646 371 V HN 0.629 nan 8.190 nan 0.000 0.447 372 T N 0.448 115.106 114.554 0.174 0.000 2.684 372 T HA -0.211 4.140 4.350 0.000 0.000 0.267 372 T C 1.890 176.738 174.700 0.246 0.000 1.036 372 T CA 1.935 64.201 62.100 0.278 0.000 1.148 372 T CB -0.389 68.649 68.868 0.283 0.000 0.863 372 T HN 0.302 nan 8.240 nan 0.000 0.436 373 L N 1.234 122.565 121.223 0.180 0.000 2.083 373 L HA -0.036 4.304 4.340 0.000 0.000 0.209 373 L C 2.441 179.309 176.870 -0.004 0.000 1.083 373 L CA 1.790 56.729 54.840 0.165 0.000 0.752 373 L CB -0.838 41.294 42.059 0.121 0.000 0.899 373 L HN 0.123 nan 8.230 nan 0.000 0.433 374 Q N -1.422 118.272 119.800 -0.177 0.000 2.226 374 Q HA -0.178 4.162 4.340 0.000 0.000 0.204 374 Q C 0.910 176.632 176.000 -0.463 0.000 0.975 374 Q CA 1.762 57.281 55.803 -0.475 0.000 0.866 374 Q CB -0.151 27.947 28.738 -1.066 0.000 0.915 374 Q HN 0.699 nan 8.270 nan 0.000 0.440 375 Y N -1.452 118.794 120.300 -0.089 0.000 2.612 375 Y HA 0.338 4.888 4.550 0.000 0.000 0.250 375 Y C -0.326 175.543 175.900 -0.051 0.000 1.175 375 Y CA -0.300 57.805 58.100 0.009 0.000 1.205 375 Y CB 1.125 39.685 38.460 0.166 0.000 1.201 375 Y HN -0.198 nan 8.280 nan 0.000 0.532 376 T N 0.790 115.300 114.554 -0.074 0.000 2.770 376 T HA 0.082 4.432 4.350 0.000 0.000 0.283 376 T C -0.873 173.558 174.700 -0.449 0.000 0.988 376 T CA -0.706 61.153 62.100 -0.402 0.000 0.957 376 T CB 1.033 69.480 68.868 -0.701 0.000 0.930 376 T HN 0.007 nan 8.240 nan 0.000 0.443 377 D N 2.090 122.258 120.400 -0.387 0.000 2.374 377 D HA 0.056 4.697 4.640 0.000 0.000 0.240 377 D C 0.015 176.128 176.300 -0.312 0.000 1.229 377 D CA -0.615 53.240 54.000 -0.242 0.000 0.895 377 D CB 0.437 41.142 40.800 -0.159 0.000 1.046 377 D HN 0.627 nan 8.370 nan 0.000 0.498 378 W N 3.174 124.437 121.300 -0.061 0.000 2.961 378 W HA 0.063 4.723 4.660 0.000 0.000 0.240 378 W C 1.876 178.367 176.519 -0.047 0.000 1.305 378 W CA -0.166 57.145 57.345 -0.055 0.000 1.465 378 W CB 0.067 29.499 29.460 -0.047 0.000 1.135 378 W HN 0.406 nan 8.180 nan 0.000 0.688 379 M N -0.828 118.836 119.600 0.106 0.000 2.502 379 M HA 0.060 4.541 4.480 0.000 0.000 0.243 379 M C -0.013 176.299 176.300 0.020 0.000 1.130 379 M CA 1.002 56.343 55.300 0.069 0.000 1.055 379 M CB 0.337 32.958 32.600 0.036 0.000 1.457 379 M HN -0.222 nan 8.290 nan 0.000 0.488 380 D N 0.155 120.534 120.400 -0.035 0.000 3.602 380 D HA -0.019 4.622 4.640 0.000 0.000 0.275 380 D C 0.231 176.427 176.300 -0.174 0.000 1.348 380 D CA 0.048 54.002 54.000 -0.077 0.000 0.768 380 D CB 0.303 41.062 40.800 -0.068 0.000 1.373 380 D HN 0.210 nan 8.370 nan 0.000 0.683 381 D N -0.762 119.504 120.400 -0.224 0.000 2.348 381 D HA -0.102 4.538 4.640 0.000 0.000 0.216 381 D C 0.334 176.454 176.300 -0.300 0.000 0.970 381 D CA 0.161 53.907 54.000 -0.425 0.000 0.889 381 D CB 0.193 40.595 40.800 -0.663 0.000 0.912 381 D HN 0.149 nan 8.370 nan 0.000 0.524 382 N N 0.629 119.228 118.700 -0.169 0.000 2.279 382 N HA 0.005 4.745 4.740 0.000 0.000 0.226 382 N C -0.528 174.908 175.510 -0.123 0.000 1.126 382 N CA -0.149 52.824 53.050 -0.129 0.000 0.846 382 N CB 0.096 38.542 38.487 -0.068 0.000 1.050 382 N HN 0.369 nan 8.380 nan 0.000 0.502 383 N N -0.117 118.494 118.700 -0.149 0.000 2.415 383 N HA 0.131 4.871 4.740 0.000 0.000 0.246 383 N C 1.459 176.890 175.510 -0.131 0.000 1.078 383 N CA -0.328 52.651 53.050 -0.118 0.000 0.942 383 N CB 0.738 39.161 38.487 -0.108 0.000 1.140 383 N HN 0.039 nan 8.380 nan 0.000 0.501 384 G N 3.682 112.415 108.800 -0.112 0.000 2.469 384 G HA2 -0.244 3.716 3.960 0.000 0.000 0.220 384 G HA3 -0.244 3.716 3.960 0.000 0.000 0.220 384 G C 1.297 176.135 174.900 -0.103 0.000 1.136 384 G CA 0.673 45.700 45.100 -0.121 0.000 0.759 384 G HN 0.654 nan 8.290 nan 0.000 0.562 385 I N 0.225 120.753 120.570 -0.070 0.000 2.179 385 I HA -0.154 4.016 4.170 0.000 0.000 0.242 385 I C 2.813 178.927 176.117 -0.004 0.000 1.088 385 I CA 1.326 62.610 61.300 -0.027 0.000 1.357 385 I CB -0.207 37.791 38.000 -0.003 0.000 1.051 385 I HN 0.126 nan 8.210 nan 0.000 0.409 386 K N 0.591 120.969 120.400 -0.036 0.000 2.147 386 K HA -0.142 4.179 4.320 0.000 0.000 0.205 386 K C 1.855 178.428 176.600 -0.046 0.000 1.049 386 K CA 1.209 57.474 56.287 -0.036 0.000 0.936 386 K CB -0.215 32.229 32.500 -0.092 0.000 0.722 386 K HN 0.323 nan 8.250 nan 0.000 0.446 387 N N 0.832 119.462 118.700 -0.116 0.000 2.188 387 N HA -0.152 4.589 4.740 0.000 0.000 0.184 387 N C 1.747 177.371 175.510 0.190 0.000 1.018 387 N CA 0.880 53.859 53.050 -0.118 0.000 0.858 387 N CB -0.097 38.275 38.487 -0.192 0.000 0.989 387 N HN 0.235 nan 8.380 nan 0.000 0.426 388 R N 1.153 121.715 120.500 0.103 0.000 2.062 388 R HA -0.092 4.248 4.340 0.000 0.000 0.231 388 R C 0.866 177.353 176.300 0.311 0.000 1.136 388 R CA 1.534 57.746 56.100 0.186 0.000 0.948 388 R CB -0.039 30.275 30.300 0.023 0.000 0.845 388 R HN 0.019 nan 8.270 nan 0.000 0.430 389 D N -0.411 120.133 120.400 0.239 0.000 2.178 389 D HA -0.086 4.555 4.640 0.000 0.000 0.201 389 D C 1.698 178.159 176.300 0.268 0.000 0.980 389 D CA 1.419 55.572 54.000 0.256 0.000 0.842 389 D CB -0.521 40.398 40.800 0.199 0.000 0.948 389 D HN 0.515 nan 8.370 nan 0.000 0.472 390 G N 0.750 109.716 108.800 0.277 0.000 2.433 390 G HA2 -0.220 3.740 3.960 0.000 0.000 0.216 390 G HA3 -0.220 3.740 3.960 0.000 0.000 0.216 390 G C 1.542 176.616 174.900 0.290 0.000 1.186 390 G CA 0.341 45.653 45.100 0.353 0.000 0.779 390 G HN 0.215 nan 8.290 nan 0.000 0.543 391 L N 0.969 122.414 121.223 0.370 0.000 2.079 391 L HA -0.030 4.310 4.340 0.000 0.000 0.210 391 L C 2.229 179.170 176.870 0.118 0.000 1.081 391 L CA 2.179 57.119 54.840 0.167 0.000 0.752 391 L CB -0.546 41.671 42.059 0.264 0.000 0.896 391 L HN 0.237 nan 8.230 nan 0.000 0.433 392 D N -0.900 119.628 120.400 0.213 0.000 2.117 392 D HA -0.194 4.446 4.640 0.000 0.000 0.197 392 D C 1.687 178.076 176.300 0.148 0.000 0.987 392 D CA 1.327 55.447 54.000 0.199 0.000 0.829 392 D CB 0.046 41.021 40.800 0.291 0.000 0.961 392 D HN 0.370 nan 8.370 nan 0.000 0.460 393 D N -0.378 120.116 120.400 0.156 0.000 2.183 393 D HA -0.064 4.576 4.640 0.000 0.000 0.203 393 D C 2.301 178.610 176.300 0.014 0.000 0.969 393 D CA 0.320 54.425 54.000 0.175 0.000 0.842 393 D CB -0.045 40.971 40.800 0.360 0.000 0.957 393 D HN 0.362 nan 8.370 nan 0.000 0.484 394 I N 0.718 121.137 120.570 -0.251 0.000 2.127 394 I HA -0.249 3.921 4.170 0.000 0.000 0.241 394 I C 2.456 178.468 176.117 -0.174 0.000 1.075 394 I CA 0.789 61.901 61.300 -0.313 0.000 1.334 394 I CB -0.205 37.605 38.000 -0.317 0.000 1.040 394 I HN -0.118 nan 8.210 nan 0.000 0.405 395 V N 0.909 120.764 119.914 -0.097 0.000 2.343 395 V HA -0.202 3.918 4.120 0.000 0.000 0.247 395 V C 2.551 178.563 176.094 -0.137 0.000 1.051 395 V CA 2.171 64.420 62.300 -0.084 0.000 1.036 395 V CB -1.461 30.383 31.823 0.034 0.000 0.654 395 V HN 0.582 nan 8.190 nan 0.000 0.451 396 G N -0.336 108.448 108.800 -0.027 0.000 2.404 396 G HA2 -0.215 3.745 3.960 0.000 0.000 0.215 396 G HA3 -0.215 3.745 3.960 0.000 0.000 0.215 396 G C 1.241 176.095 174.900 -0.077 0.000 1.174 396 G CA 0.960 46.064 45.100 0.006 0.000 0.780 396 G HN 0.495 nan 8.290 nan 0.000 0.537 397 D N -0.125 120.231 120.400 -0.073 0.000 2.084 397 D HA -0.091 4.549 4.640 0.000 0.000 0.196 397 D C 2.100 178.096 176.300 -0.507 0.000 0.985 397 D CA 1.340 55.269 54.000 -0.118 0.000 0.826 397 D CB -0.508 40.397 40.800 0.175 0.000 0.978 397 D HN 0.429 nan 8.370 nan 0.000 0.456 398 H N 0.817 119.249 119.070 -1.064 0.000 2.387 398 H HA 0.026 4.582 4.556 0.000 0.000 0.299 398 H C 1.465 176.403 175.328 -0.650 0.000 1.090 398 H CA 1.641 56.919 56.048 -1.283 0.000 1.332 398 H CB 0.092 28.872 29.762 -1.638 0.000 1.386 398 H HN -0.000 nan 8.280 nan 0.000 0.516 399 N N -0.803 117.433 118.700 -0.773 0.000 2.409 399 N HA 0.006 4.746 4.740 0.000 0.000 0.174 399 N C 1.188 176.458 175.510 -0.399 0.000 1.037 399 N CA 1.070 53.645 53.050 -0.792 0.000 0.898 399 N CB 1.049 38.645 38.487 -1.485 0.000 1.010 399 N HN 0.275 nan 8.380 nan 0.000 0.445 400 V N 0.583 120.335 119.914 -0.269 0.000 3.134 400 V HA 0.160 4.280 4.120 0.000 0.000 0.222 400 V C 2.106 178.180 176.094 -0.033 0.000 1.247 400 V CA -0.031 62.238 62.300 -0.051 0.000 1.281 400 V CB 0.053 31.925 31.823 0.082 0.000 1.169 400 V HN -0.057 nan 8.190 nan 0.000 0.512 401 I N 0.644 121.209 120.570 -0.008 0.000 2.099 401 I HA -0.295 3.876 4.170 0.000 0.000 0.239 401 I C 2.575 178.703 176.117 0.018 0.000 1.066 401 I CA 1.969 63.288 61.300 0.032 0.000 1.324 401 I CB -0.480 37.577 38.000 0.095 0.000 1.037 401 I HN 0.390 nan 8.210 nan 0.000 0.401 402 c N 0.604 119.207 118.600 0.005 0.000 2.440 402 c HA -0.032 4.538 4.570 0.000 0.000 0.278 402 c C 0.268 174.385 174.090 0.045 0.000 1.295 402 c CA 0.651 57.019 56.329 0.066 0.000 1.738 402 c CB -1.829 40.764 42.510 0.138 0.000 1.987 402 c HN 0.360 nan 8.230 nan 0.000 0.492 403 P HA -0.095 nan 4.420 nan 0.000 0.217 403 P C 1.754 179.076 177.300 0.037 0.000 1.150 403 P CA 1.065 64.136 63.100 -0.048 0.000 0.832 403 P CB -0.178 31.399 31.700 -0.205 0.000 0.787 404 L N -1.857 119.368 121.223 0.003 0.000 2.056 404 L HA -0.128 4.213 4.340 0.000 0.000 0.207 404 L C 2.055 178.969 176.870 0.074 0.000 1.078 404 L CA 1.587 56.444 54.840 0.029 0.000 0.749 404 L CB -0.489 41.556 42.059 -0.024 0.000 0.901 404 L HN -0.101 nan 8.230 nan 0.000 0.433 405 M N -0.927 118.704 119.600 0.052 0.000 2.175 405 M HA -0.217 4.263 4.480 0.000 0.000 0.264 405 M C 2.261 178.619 176.300 0.097 0.000 1.063 405 M CA 1.633 56.957 55.300 0.040 0.000 1.119 405 M CB -1.583 31.055 32.600 0.062 0.000 1.377 405 M HN 0.436 nan 8.290 nan 0.000 0.415 406 H N -0.215 118.889 119.070 0.057 0.000 2.389 406 H HA -0.158 4.398 4.556 0.000 0.000 0.299 406 H C 1.800 177.168 175.328 0.068 0.000 1.081 406 H CA 1.734 57.822 56.048 0.067 0.000 1.345 406 H CB -0.254 29.546 29.762 0.064 0.000 1.393 406 H HN 0.238 nan 8.280 nan 0.000 0.520 407 F N -0.158 119.739 119.950 -0.089 0.000 2.113 407 F HA -0.119 4.408 4.527 0.000 0.000 0.297 407 F C 2.458 178.173 175.800 -0.143 0.000 1.103 407 F CA 1.352 59.256 58.000 -0.160 0.000 1.248 407 F CB -0.940 37.977 39.000 -0.138 0.000 0.999 407 F HN 0.100 nan 8.300 nan 0.000 0.475 408 V N 1.149 120.966 119.914 -0.161 0.000 2.332 408 V HA -0.310 3.810 4.120 0.000 0.000 0.248 408 V C 2.232 178.180 176.094 -0.244 0.000 1.055 408 V CA 2.461 64.576 62.300 -0.307 0.000 1.038 408 V CB -0.615 30.954 31.823 -0.423 0.000 0.651 408 V HN 0.423 nan 8.190 nan 0.000 0.450 409 N N -0.308 118.321 118.700 -0.118 0.000 2.188 409 N HA -0.106 4.634 4.740 0.000 0.000 0.184 409 N C 1.828 177.309 175.510 -0.048 0.000 1.018 409 N CA 1.049 54.125 53.050 0.042 0.000 0.858 409 N CB -0.197 38.348 38.487 0.097 0.000 0.989 409 N HN 0.412 nan 8.380 nan 0.000 0.426 410 K N 0.546 120.830 120.400 -0.193 0.000 2.025 410 K HA -0.106 4.214 4.320 0.000 0.000 0.207 410 K C 1.984 178.534 176.600 -0.083 0.000 1.049 410 K CA 0.678 56.870 56.287 -0.158 0.000 0.933 410 K CB -0.860 31.472 32.500 -0.280 0.000 0.714 410 K HN 0.256 nan 8.250 nan 0.000 0.438 411 Y N 2.534 122.563 120.300 -0.452 0.000 2.128 411 Y HA -0.244 4.307 4.550 0.000 0.000 0.284 411 Y C 2.226 178.111 175.900 -0.026 0.000 1.154 411 Y CA 2.120 59.980 58.100 -0.401 0.000 1.149 411 Y CB -0.574 37.382 38.460 -0.841 0.000 0.976 411 Y HN 0.063 nan 8.280 nan 0.000 0.505 412 T N 1.028 115.601 114.554 0.032 0.000 2.869 412 T HA -0.194 4.156 4.350 0.000 0.000 0.270 412 T C 1.726 176.397 174.700 -0.048 0.000 1.082 412 T CA 1.490 63.634 62.100 0.073 0.000 1.123 412 T CB -0.170 68.849 68.868 0.251 0.000 0.856 412 T HN 0.315 nan 8.240 nan 0.000 0.499 413 K N 0.083 120.412 120.400 -0.120 0.000 2.209 413 K HA -0.003 4.317 4.320 0.000 0.000 0.204 413 K C 1.324 177.584 176.600 -0.567 0.000 1.048 413 K CA 1.149 57.229 56.287 -0.345 0.000 0.940 413 K CB -0.148 32.082 32.500 -0.451 0.000 0.729 413 K HN 0.450 nan 8.250 nan 0.000 0.451 414 F N -0.140 119.738 119.950 -0.120 0.000 2.740 414 F HA 0.215 4.742 4.527 0.000 0.000 0.304 414 F C 1.608 177.266 175.800 -0.237 0.000 1.098 414 F CA -0.397 57.495 58.000 -0.181 0.000 1.258 414 F CB -0.335 38.504 39.000 -0.268 0.000 1.061 414 F HN -0.108 nan 8.300 nan 0.000 0.598 415 G N 0.136 108.788 108.800 -0.246 0.000 2.744 415 G HA2 -0.114 3.847 3.960 0.000 0.000 0.257 415 G HA3 -0.114 3.847 3.960 0.000 0.000 0.257 415 G C 0.503 175.418 174.900 0.026 0.000 1.244 415 G CA -0.159 44.796 45.100 -0.241 0.000 0.916 415 G HN 0.347 nan 8.290 nan 0.000 0.564 416 N N -0.564 118.221 118.700 0.142 0.000 2.235 416 N HA 0.272 5.012 4.740 0.000 0.000 0.231 416 N C 0.295 175.889 175.510 0.140 0.000 1.177 416 N CA 0.429 53.547 53.050 0.113 0.000 0.874 416 N CB 0.401 38.950 38.487 0.102 0.000 1.097 416 N HN 0.863 nan 8.380 nan 0.000 0.518 417 G N 0.711 109.619 108.800 0.180 0.000 1.980 417 G HA2 0.013 3.973 3.960 0.000 0.000 0.198 417 G HA3 0.013 3.973 3.960 0.000 0.000 0.198 417 G C -1.252 173.752 174.900 0.173 0.000 1.587 417 G CA -0.686 44.502 45.100 0.147 0.000 0.975 417 G HN 0.005 nan 8.290 nan 0.000 0.682 418 T N 1.980 116.533 114.554 -0.001 0.000 2.807 418 T HA 0.630 4.980 4.350 0.000 0.000 0.279 418 T C -1.115 173.435 174.700 -0.250 0.000 0.993 418 T CA -0.226 61.875 62.100 0.001 0.000 0.970 418 T CB 1.079 70.007 68.868 0.099 0.000 0.950 418 T HN 0.377 nan 8.240 nan 0.000 0.441 419 Y N 2.588 122.834 120.300 -0.091 0.000 2.338 419 Y HA 0.562 5.113 4.550 0.000 0.000 0.328 419 Y C -0.342 175.616 175.900 0.096 0.000 0.965 419 Y CA -1.145 56.858 58.100 -0.161 0.000 1.208 419 Y CB 1.183 39.135 38.460 -0.847 0.000 1.132 419 Y HN 0.426 nan 8.280 nan 0.000 0.469 420 L N 6.099 127.640 121.223 0.530 0.000 2.309 420 L HA 0.587 4.927 4.340 0.000 0.000 0.282 420 L C -1.092 176.217 176.870 0.732 0.000 1.036 420 L CA -1.010 54.089 54.840 0.430 0.000 0.806 420 L CB 0.415 42.585 42.059 0.184 0.000 1.220 420 L HN 0.497 nan 8.230 nan 0.000 0.429 421 Y N 3.328 123.926 120.300 0.496 0.000 2.576 421 Y HA 0.712 5.262 4.550 0.000 0.000 0.346 421 Y C -1.843 174.298 175.900 0.402 0.000 1.018 421 Y CA -2.170 56.170 58.100 0.400 0.000 1.050 421 Y CB 1.264 39.940 38.460 0.361 0.000 1.280 421 Y HN 0.531 nan 8.280 nan 0.000 0.474 422 F N 4.785 125.047 119.950 0.520 0.000 2.610 422 F HA 0.468 4.995 4.527 0.000 0.000 0.355 422 F C -1.936 174.152 175.800 0.479 0.000 1.140 422 F CA -1.924 56.306 58.000 0.384 0.000 1.037 422 F CB 0.671 39.848 39.000 0.294 0.000 1.287 422 F HN 0.573 nan 8.300 nan 0.000 0.457 423 F N 7.844 127.838 119.950 0.074 0.000 2.421 423 F HA 0.324 4.851 4.527 0.000 0.000 0.358 423 F C 0.055 175.690 175.800 -0.275 0.000 1.115 423 F CA -0.233 57.760 58.000 -0.012 0.000 1.160 423 F CB 0.537 39.614 39.000 0.128 0.000 1.123 423 F HN 0.532 nan 8.300 nan 0.000 0.508 424 N N 3.660 122.029 118.700 -0.552 0.000 2.622 424 N HA 0.092 4.833 4.740 0.000 0.000 0.304 424 N C -1.487 173.829 175.510 -0.324 0.000 1.844 424 N CA -0.570 52.260 53.050 -0.366 0.000 0.886 424 N CB -0.525 37.855 38.487 -0.179 0.000 1.366 424 N HN 0.641 nan 8.380 nan 0.000 0.491 425 H N 0.240 118.878 119.070 -0.721 0.000 2.638 425 H HA 0.402 4.958 4.556 0.000 0.000 0.303 425 H C -0.455 174.782 175.328 -0.152 0.000 1.034 425 H CA -0.618 55.152 56.048 -0.464 0.000 1.225 425 H CB 0.867 30.216 29.762 -0.687 0.000 1.394 425 H HN 0.184 nan 8.280 nan 0.000 0.477 426 R N 4.213 124.422 120.500 -0.486 0.000 2.296 426 R HA 0.403 4.743 4.340 0.000 0.000 0.323 426 R C -0.410 175.593 176.300 -0.495 0.000 1.067 426 R CA -0.271 55.636 56.100 -0.323 0.000 0.946 426 R CB 0.117 30.328 30.300 -0.148 0.000 0.991 426 R HN 0.805 nan 8.270 nan 0.000 0.448 427 A N 3.534 126.262 122.820 -0.153 0.000 2.566 427 A HA -0.019 4.301 4.320 0.000 0.000 0.245 427 A C 1.395 178.992 177.584 0.022 0.000 1.056 427 A CA 0.582 52.677 52.037 0.097 0.000 0.757 427 A CB 0.252 19.451 19.000 0.332 0.000 0.979 427 A HN 1.029 nan 8.150 nan 0.000 0.508 428 S N 2.016 117.766 115.700 0.083 0.000 2.399 428 S HA -0.178 4.293 4.470 0.000 0.000 0.231 428 S C 1.014 175.602 174.600 -0.020 0.000 1.022 428 S CA 1.168 59.393 58.200 0.041 0.000 0.983 428 S CB -0.384 62.872 63.200 0.094 0.000 0.803 428 S HN 0.953 nan 8.310 nan 0.000 0.480 429 N N 1.090 119.742 118.700 -0.080 0.000 2.320 429 N HA 0.215 4.955 4.740 0.000 0.000 0.237 429 N C -0.209 175.233 175.510 -0.114 0.000 1.129 429 N CA -0.320 52.641 53.050 -0.148 0.000 0.854 429 N CB -0.505 37.796 38.487 -0.311 0.000 1.083 429 N HN 0.424 nan 8.380 nan 0.000 0.504 430 L N 1.068 122.267 121.223 -0.039 0.000 2.426 430 L HA 0.050 4.390 4.340 0.000 0.000 0.271 430 L C 1.492 178.344 176.870 -0.030 0.000 1.169 430 L CA -0.381 54.461 54.840 0.003 0.000 0.836 430 L CB 1.235 43.308 42.059 0.024 0.000 1.112 430 L HN 0.108 nan 8.230 nan 0.000 0.465 431 V N -0.661 119.215 119.914 -0.064 0.000 3.650 431 V HA 0.082 4.202 4.120 0.000 0.000 0.271 431 V C 0.345 176.390 176.094 -0.083 0.000 1.281 431 V CA -0.470 61.758 62.300 -0.120 0.000 1.120 431 V CB -0.840 30.814 31.823 -0.281 0.000 0.856 431 V HN 0.589 nan 8.190 nan 0.000 0.443 432 W N 1.909 123.195 121.300 -0.023 0.000 2.303 432 W HA 0.567 5.227 4.660 0.000 0.000 0.334 432 W C -1.829 174.578 176.519 -0.186 0.000 1.197 432 W CA -2.258 55.020 57.345 -0.111 0.000 1.262 432 W CB 0.072 29.362 29.460 -0.284 0.000 1.153 432 W HN -0.044 nan 8.180 nan 0.000 0.596 433 P HA -0.055 nan 4.420 nan 0.000 0.269 433 P C 0.287 177.532 177.300 -0.092 0.000 1.215 433 P CA 0.409 63.498 63.100 -0.019 0.000 0.780 433 P CB 0.975 32.717 31.700 0.069 0.000 0.898 434 E N 1.610 121.818 120.200 0.013 0.000 2.130 434 E HA -0.172 4.178 4.350 0.000 0.000 0.196 434 E C 1.856 178.484 176.600 0.047 0.000 0.998 434 E CA 1.524 57.939 56.400 0.024 0.000 0.806 434 E CB -0.373 29.371 29.700 0.074 0.000 0.738 434 E HN 0.722 nan 8.360 nan 0.000 0.459 435 W N 0.630 121.965 121.300 0.058 0.000 2.387 435 W HA -0.134 4.526 4.660 0.000 0.000 0.272 435 W C 1.451 178.015 176.519 0.073 0.000 1.224 435 W CA 0.561 57.952 57.345 0.076 0.000 1.210 435 W CB -0.687 28.833 29.460 0.100 0.000 1.125 435 W HN 0.002 nan 8.180 nan 0.000 0.572 436 M N 1.309 120.482 119.600 -0.713 0.000 2.492 436 M HA 0.120 4.601 4.480 0.000 0.000 0.262 436 M C 1.768 177.894 176.300 -0.290 0.000 1.090 436 M CA 1.504 56.323 55.300 -0.801 0.000 1.110 436 M CB -0.763 31.219 32.600 -1.029 0.000 1.407 436 M HN 0.147 nan 8.290 nan 0.000 0.470 437 G N 0.594 109.308 108.800 -0.144 0.000 2.582 437 G HA2 -0.288 3.672 3.960 0.000 0.000 0.288 437 G HA3 -0.288 3.672 3.960 0.000 0.000 0.288 437 G C -0.186 174.682 174.900 -0.052 0.000 1.247 437 G CA -0.239 44.835 45.100 -0.043 0.000 0.972 437 G HN 0.216 nan 8.290 nan 0.000 0.557 438 V N 2.012 121.935 119.914 0.016 0.000 2.352 438 V HA 0.331 4.451 4.120 0.000 0.000 0.253 438 V C 1.223 177.384 176.094 0.113 0.000 1.083 438 V CA 0.111 62.462 62.300 0.085 0.000 0.993 438 V CB -0.305 31.583 31.823 0.108 0.000 1.111 438 V HN 0.527 nan 8.190 nan 0.000 0.490 439 I N 3.093 123.694 120.570 0.051 0.000 2.779 439 I HA 0.119 4.289 4.170 0.000 0.000 0.285 439 I C 0.906 177.217 176.117 0.323 0.000 1.134 439 I CA -0.445 60.897 61.300 0.070 0.000 1.398 439 I CB 0.204 38.037 38.000 -0.279 0.000 1.404 439 I HN 0.584 nan 8.210 nan 0.000 0.587 440 H N 3.725 122.912 119.070 0.196 0.000 3.070 440 H HA 0.185 4.741 4.556 0.000 0.000 0.313 440 H C 1.038 176.444 175.328 0.130 0.000 0.997 440 H CA 1.157 57.294 56.048 0.150 0.000 1.438 440 H CB 0.290 30.106 29.762 0.091 0.000 1.455 440 H HN 0.768 nan 8.280 nan 0.000 0.575 441 G N 3.531 112.176 108.800 -0.258 0.000 2.205 441 G HA2 -0.359 3.602 3.960 0.000 0.000 0.261 441 G HA3 -0.359 3.602 3.960 0.000 0.000 0.261 441 G C 0.635 175.570 174.900 0.057 0.000 0.980 441 G CA 0.535 45.509 45.100 -0.210 0.000 0.632 441 G HN 0.650 nan 8.290 nan 0.000 0.533 442 Y N 1.505 121.910 120.300 0.175 0.000 2.529 442 Y HA 0.192 4.742 4.550 0.000 0.000 0.290 442 Y C 2.399 178.417 175.900 0.198 0.000 1.177 442 Y CA 1.130 59.396 58.100 0.276 0.000 1.305 442 Y CB 0.328 38.985 38.460 0.329 0.000 1.047 442 Y HN 0.542 nan 8.280 nan 0.000 0.522 443 E N 0.008 120.178 120.200 -0.051 0.000 2.400 443 E HA -0.056 4.294 4.350 0.000 0.000 0.195 443 E C 1.684 178.221 176.600 -0.104 0.000 1.012 443 E CA 0.556 56.614 56.400 -0.569 0.000 0.875 443 E CB -0.479 28.472 29.700 -1.249 0.000 0.859 443 E HN 0.506 nan 8.360 nan 0.000 0.498 444 I N 2.639 123.239 120.570 0.051 0.000 2.163 444 I HA -0.313 3.858 4.170 0.000 0.000 0.243 444 I C 2.577 178.758 176.117 0.106 0.000 1.085 444 I CA 2.151 63.540 61.300 0.148 0.000 1.347 444 I CB -0.442 37.713 38.000 0.258 0.000 1.044 444 I HN 0.221 nan 8.210 nan 0.000 0.408 445 E N 0.694 120.904 120.200 0.018 0.000 2.267 445 E HA -0.234 4.116 4.350 0.000 0.000 0.197 445 E C 1.961 178.402 176.600 -0.264 0.000 0.998 445 E CA 1.449 57.770 56.400 -0.132 0.000 0.830 445 E CB -0.460 29.142 29.700 -0.164 0.000 0.751 445 E HN 0.458 nan 8.360 nan 0.000 0.491 446 F N 0.911 120.803 119.950 -0.097 0.000 2.270 446 F HA -0.005 4.522 4.527 0.000 0.000 0.295 446 F C 2.339 177.989 175.800 -0.251 0.000 1.087 446 F CA 0.420 58.326 58.000 -0.157 0.000 1.365 446 F CB -0.043 38.919 39.000 -0.063 0.000 1.056 446 F HN -0.144 nan 8.300 nan 0.000 0.506 447 V N -0.867 118.970 119.914 -0.128 0.000 2.407 447 V HA -0.278 3.843 4.120 0.000 0.000 0.248 447 V C 1.546 177.440 176.094 -0.333 0.000 1.055 447 V CA 1.643 63.710 62.300 -0.388 0.000 1.049 447 V CB -0.625 31.005 31.823 -0.320 0.000 0.662 447 V HN 0.212 nan 8.190 nan 0.000 0.455 448 F N 0.444 120.264 119.950 -0.217 0.000 2.692 448 F HA 0.405 4.932 4.527 0.000 0.000 0.303 448 F C 1.785 177.481 175.800 -0.174 0.000 1.114 448 F CA 0.519 58.413 58.000 -0.177 0.000 1.361 448 F CB -0.353 38.526 39.000 -0.202 0.000 1.063 448 F HN 0.248 nan 8.300 nan 0.000 0.550 449 G N 0.656 109.371 108.800 -0.141 0.000 2.225 449 G HA2 -0.320 3.640 3.960 0.000 0.000 0.267 449 G HA3 -0.320 3.640 3.960 0.000 0.000 0.267 449 G C 1.215 175.805 174.900 -0.516 0.000 1.024 449 G CA 0.536 45.484 45.100 -0.255 0.000 0.784 449 G HN 0.457 nan 8.290 nan 0.000 0.507 450 L N -0.723 120.159 121.223 -0.570 0.000 2.191 450 L HA -0.051 4.289 4.340 0.000 0.000 0.212 450 L C -0.028 176.320 176.870 -0.869 0.000 1.103 450 L CA 1.478 55.892 54.840 -0.709 0.000 0.769 450 L CB -1.000 40.780 42.059 -0.465 0.000 0.908 450 L HN 0.197 nan 8.230 nan 0.000 0.438 451 P HA -0.109 nan 4.420 nan 0.000 0.234 451 P C 1.664 178.641 177.300 -0.539 0.000 1.167 451 P CA 0.904 63.236 63.100 -1.281 0.000 0.763 451 P CB 0.125 31.143 31.700 -1.136 0.000 0.835 452 L N -1.484 119.461 121.223 -0.463 0.000 2.478 452 L HA 0.050 4.390 4.340 0.000 0.000 0.223 452 L C 1.017 177.753 176.870 -0.223 0.000 1.140 452 L CA 0.543 55.219 54.840 -0.274 0.000 0.842 452 L CB -0.247 41.682 42.059 -0.217 0.000 0.953 452 L HN -0.078 nan 8.230 nan 0.000 0.452 453 V N 0.863 120.601 119.914 -0.295 0.000 2.348 453 V HA 0.137 4.258 4.120 0.000 0.000 0.270 453 V C 1.377 177.431 176.094 -0.066 0.000 1.037 453 V CA -0.629 61.571 62.300 -0.167 0.000 0.872 453 V CB 1.124 32.824 31.823 -0.204 0.000 1.002 453 V HN 0.160 nan 8.190 nan 0.000 0.464 454 K N 4.676 125.056 120.400 -0.034 0.000 2.077 454 K HA -0.196 4.124 4.320 0.000 0.000 0.213 454 K C 1.719 178.321 176.600 0.003 0.000 1.051 454 K CA 2.258 58.542 56.287 -0.006 0.000 0.929 454 K CB -0.286 32.209 32.500 -0.008 0.000 0.715 454 K HN 0.985 nan 8.250 nan 0.000 0.451 455 E N 1.160 121.355 120.200 -0.008 0.000 2.515 455 E HA -0.122 4.229 4.350 0.000 0.000 0.201 455 E C 1.586 178.176 176.600 -0.016 0.000 1.071 455 E CA 0.527 56.919 56.400 -0.013 0.000 0.880 455 E CB -0.319 29.370 29.700 -0.018 0.000 0.828 455 E HN 0.346 nan 8.360 nan 0.000 0.540 456 L N 0.556 121.786 121.223 0.013 0.000 2.591 456 L HA 0.067 4.407 4.340 0.000 0.000 0.228 456 L C -0.368 176.471 176.870 -0.052 0.000 1.133 456 L CA -0.105 54.747 54.840 0.019 0.000 0.880 456 L CB -0.718 41.444 42.059 0.171 0.000 1.033 456 L HN 0.006 nan 8.230 nan 0.000 0.450 457 N N -0.750 117.943 118.700 -0.012 0.000 2.714 457 N HA -0.244 4.496 4.740 0.000 0.000 0.252 457 N C -0.720 174.746 175.510 -0.074 0.000 1.014 457 N CA 0.748 53.773 53.050 -0.043 0.000 0.735 457 N CB -1.665 36.771 38.487 -0.085 0.000 0.924 457 N HN 0.284 nan 8.380 nan 0.000 0.540 458 Y N -0.472 119.807 120.300 -0.035 0.000 2.392 458 Y HA 0.435 4.985 4.550 0.000 0.000 0.323 458 Y C 1.700 177.614 175.900 0.022 0.000 1.291 458 Y CA -0.383 57.716 58.100 -0.002 0.000 1.345 458 Y CB 0.735 39.169 38.460 -0.042 0.000 1.320 458 Y HN 0.147 nan 8.280 nan 0.000 0.518 459 T N -1.936 112.762 114.554 0.240 0.000 2.847 459 T HA 0.459 4.809 4.350 0.000 0.000 0.279 459 T C 1.108 175.886 174.700 0.130 0.000 0.984 459 T CA -0.264 61.926 62.100 0.151 0.000 0.988 459 T CB 1.270 70.224 68.868 0.144 0.000 1.040 459 T HN 0.747 nan 8.240 nan 0.000 0.528 460 A N 0.937 123.805 122.820 0.080 0.000 1.972 460 A HA -0.062 4.259 4.320 0.000 0.000 0.219 460 A C 2.278 179.890 177.584 0.047 0.000 1.169 460 A CA 1.249 53.317 52.037 0.052 0.000 0.635 460 A CB -0.701 18.320 19.000 0.034 0.000 0.810 460 A HN 0.934 nan 8.150 nan 0.000 0.446 461 E N 0.590 120.823 120.200 0.054 0.000 2.216 461 E HA -0.161 4.189 4.350 0.000 0.000 0.192 461 E C 1.376 177.994 176.600 0.029 0.000 0.988 461 E CA 1.129 57.544 56.400 0.025 0.000 0.834 461 E CB -0.533 29.173 29.700 0.010 0.000 0.772 461 E HN 0.786 nan 8.360 nan 0.000 0.479 462 E N 1.140 121.414 120.200 0.124 0.000 2.107 462 E HA -0.134 4.216 4.350 0.000 0.000 0.191 462 E C 2.066 178.800 176.600 0.224 0.000 0.982 462 E CA 0.761 57.330 56.400 0.281 0.000 0.809 462 E CB -0.006 30.019 29.700 0.541 0.000 0.756 462 E HN 0.379 nan 8.360 nan 0.000 0.459 463 E N 0.934 121.182 120.200 0.080 0.000 2.110 463 E HA -0.186 4.164 4.350 0.000 0.000 0.193 463 E C 2.009 178.608 176.600 -0.001 0.000 0.988 463 E CA 0.961 57.351 56.400 -0.017 0.000 0.804 463 E CB -0.014 29.669 29.700 -0.028 0.000 0.745 463 E HN 0.194 nan 8.360 nan 0.000 0.458 464 A N 1.093 123.918 122.820 0.008 0.000 1.930 464 A HA -0.133 4.187 4.320 0.000 0.000 0.217 464 A C 2.118 179.694 177.584 -0.013 0.000 1.175 464 A CA 1.158 53.187 52.037 -0.014 0.000 0.627 464 A CB -0.582 18.407 19.000 -0.017 0.000 0.815 464 A HN 0.388 nan 8.150 nan 0.000 0.443 465 L N -0.111 121.114 121.223 0.004 0.000 2.017 465 L HA -0.107 4.234 4.340 0.000 0.000 0.208 465 L C 2.537 179.448 176.870 0.068 0.000 1.073 465 L CA 2.711 57.539 54.840 -0.019 0.000 0.745 465 L CB -0.941 41.024 42.059 -0.157 0.000 0.894 465 L HN 0.330 nan 8.230 nan 0.000 0.432 466 S N -0.662 115.164 115.700 0.210 0.000 2.359 466 S HA -0.245 4.225 4.470 0.000 0.000 0.224 466 S C 2.219 176.820 174.600 0.001 0.000 1.035 466 S CA 1.601 59.905 58.200 0.174 0.000 1.018 466 S CB -0.276 62.930 63.200 0.009 0.000 0.876 466 S HN 0.556 nan 8.310 nan 0.000 0.448 467 R N 0.691 121.177 120.500 -0.024 0.000 2.081 467 R HA -0.060 4.280 4.340 0.000 0.000 0.235 467 R C 2.663 178.923 176.300 -0.067 0.000 1.131 467 R CA 1.814 57.884 56.100 -0.050 0.000 0.960 467 R CB -0.290 29.974 30.300 -0.060 0.000 0.856 467 R HN 0.602 nan 8.270 nan 0.000 0.436 468 R N 0.128 120.569 120.500 -0.098 0.000 2.148 468 R HA 0.001 4.341 4.340 0.000 0.000 0.223 468 R C 2.030 178.182 176.300 -0.246 0.000 1.088 468 R CA 1.066 57.023 56.100 -0.238 0.000 0.985 468 R CB -0.444 29.695 30.300 -0.268 0.000 0.880 468 R HN 0.203 nan 8.270 nan 0.000 0.451 469 I N 1.502 122.054 120.570 -0.029 0.000 2.163 469 I HA -0.227 3.943 4.170 0.000 0.000 0.240 469 I C 2.624 178.728 176.117 -0.022 0.000 1.081 469 I CA 1.480 62.802 61.300 0.037 0.000 1.353 469 I CB -0.214 37.650 38.000 -0.227 0.000 1.054 469 I HN 0.134 nan 8.210 nan 0.000 0.407 470 M N -0.521 119.017 119.600 -0.103 0.000 2.106 470 M HA -0.287 4.193 4.480 0.000 0.000 0.259 470 M C 2.422 178.796 176.300 0.123 0.000 1.068 470 M CA 1.847 57.116 55.300 -0.051 0.000 1.100 470 M CB -0.856 31.708 32.600 -0.061 0.000 1.351 470 M HN 0.287 nan 8.290 nan 0.000 0.404 471 H N -0.401 118.668 119.070 -0.003 0.000 2.423 471 H HA -0.137 4.419 4.556 0.000 0.000 0.297 471 H C 1.535 176.956 175.328 0.155 0.000 1.075 471 H CA 1.806 57.859 56.048 0.009 0.000 1.342 471 H CB -0.018 29.683 29.762 -0.103 0.000 1.395 471 H HN 0.295 nan 8.280 nan 0.000 0.530 472 Y N -1.040 119.426 120.300 0.276 0.000 2.163 472 Y HA -0.227 4.323 4.550 0.000 0.000 0.288 472 Y C 2.528 178.610 175.900 0.303 0.000 1.136 472 Y CA 1.083 59.378 58.100 0.325 0.000 1.147 472 Y CB -0.934 37.930 38.460 0.673 0.000 0.987 472 Y HN 0.343 nan 8.280 nan 0.000 0.509 473 W N -0.422 120.968 121.300 0.151 0.000 2.354 473 W HA -0.231 4.429 4.660 0.000 0.000 0.315 473 W C 2.600 179.108 176.519 -0.017 0.000 1.206 473 W CA 1.184 58.549 57.345 0.033 0.000 1.290 473 W CB -0.557 28.872 29.460 -0.052 0.000 1.152 473 W HN 0.063 nan 8.180 nan 0.000 0.489 474 A N 0.164 123.087 122.820 0.172 0.000 1.873 474 A HA -0.175 4.145 4.320 0.000 0.000 0.215 474 A C 1.823 179.375 177.584 -0.054 0.000 1.186 474 A CA 2.376 54.424 52.037 0.018 0.000 0.616 474 A CB -1.283 17.720 19.000 0.005 0.000 0.823 474 A HN 0.215 nan 8.150 nan 0.000 0.442 475 T N -0.663 113.811 114.554 -0.134 0.000 2.788 475 T HA -0.129 4.221 4.350 0.000 0.000 0.268 475 T C 1.600 176.232 174.700 -0.114 0.000 1.044 475 T CA 1.570 63.560 62.100 -0.184 0.000 1.139 475 T CB -0.395 68.292 68.868 -0.302 0.000 0.867 475 T HN 0.498 nan 8.240 nan 0.000 0.454 476 F N 2.421 122.252 119.950 -0.199 0.000 2.075 476 F HA 0.034 4.561 4.527 0.000 0.000 0.297 476 F C 2.491 178.181 175.800 -0.182 0.000 1.113 476 F CA 1.037 58.879 58.000 -0.263 0.000 1.218 476 F CB -0.845 37.927 39.000 -0.379 0.000 0.984 476 F HN 0.137 nan 8.300 nan 0.000 0.472 477 A N 0.324 123.047 122.820 -0.161 0.000 1.917 477 A HA -0.316 4.004 4.320 0.000 0.000 0.219 477 A C 2.320 179.756 177.584 -0.246 0.000 1.182 477 A CA 2.237 54.148 52.037 -0.209 0.000 0.633 477 A CB -0.989 17.965 19.000 -0.077 0.000 0.819 477 A HN 0.550 nan 8.150 nan 0.000 0.448 478 K N -1.187 119.100 120.400 -0.188 0.000 2.296 478 K HA -0.069 4.251 4.320 0.000 0.000 0.200 478 K C 1.456 177.955 176.600 -0.169 0.000 1.048 478 K CA 1.701 57.901 56.287 -0.146 0.000 0.966 478 K CB 0.027 32.469 32.500 -0.096 0.000 0.754 478 K HN 0.636 nan 8.250 nan 0.000 0.466 479 T N -5.894 108.518 114.554 -0.237 0.000 3.028 479 T HA 0.234 4.584 4.350 0.000 0.000 0.262 479 T C 1.021 175.564 174.700 -0.260 0.000 0.916 479 T CA 0.440 62.422 62.100 -0.197 0.000 0.873 479 T CB 0.921 69.715 68.868 -0.123 0.000 1.232 479 T HN 0.207 nan 8.240 nan 0.000 0.529 480 G N 1.602 110.100 108.800 -0.504 0.000 2.157 480 G HA2 -0.165 3.795 3.960 0.000 0.000 0.239 480 G HA3 -0.165 3.795 3.960 0.000 0.000 0.239 480 G C -0.237 174.543 174.900 -0.200 0.000 0.982 480 G CA 0.043 44.805 45.100 -0.563 0.000 0.650 480 G HN 0.863 nan 8.290 nan 0.000 0.527 481 N N -0.170 118.402 118.700 -0.212 0.000 2.478 481 N HA 0.407 5.148 4.740 0.000 0.000 0.291 481 N C -1.879 173.469 175.510 -0.270 0.000 1.090 481 N CA -1.340 51.556 53.050 -0.257 0.000 0.911 481 N CB 2.527 40.987 38.487 -0.045 0.000 1.546 481 N HN -0.054 nan 8.380 nan 0.000 0.500 482 P HA -0.020 nan 4.420 nan 0.000 0.233 482 P C -0.474 176.888 177.300 0.103 0.000 1.167 482 P CA 0.490 63.482 63.100 -0.179 0.000 0.770 482 P CB 0.342 31.732 31.700 -0.516 0.000 0.837 483 N N 1.352 120.075 118.700 0.039 0.000 2.499 483 N HA 0.116 4.857 4.740 0.000 0.000 0.281 483 N C -0.112 175.466 175.510 0.113 0.000 1.098 483 N CA -0.031 53.124 53.050 0.176 0.000 0.979 483 N CB 1.390 39.993 38.487 0.193 0.000 1.121 483 N HN 0.161 nan 8.380 nan 0.000 0.466 484 E N 2.130 122.418 120.200 0.147 0.000 2.174 484 E HA 0.341 4.691 4.350 0.000 0.000 0.282 484 E C -2.019 174.645 176.600 0.107 0.000 0.992 484 E CA -1.495 54.976 56.400 0.118 0.000 0.803 484 E CB 0.775 30.587 29.700 0.187 0.000 1.090 484 E HN 0.306 nan 8.360 nan 0.000 0.396 491 K N 2.150 122.660 120.400 0.184 0.000 2.248 491 K HA 0.213 4.534 4.320 0.000 0.000 0.281 491 K C -0.326 176.464 176.600 0.316 0.000 1.054 491 K CA -0.499 55.937 56.287 0.248 0.000 0.903 491 K CB 0.652 33.273 32.500 0.201 0.000 1.077 491 K HN 0.696 nan 8.250 nan 0.000 0.474 492 W N 7.660 129.056 121.300 0.160 0.000 2.655 492 W HA 0.074 4.735 4.660 0.000 0.000 0.333 492 W C -2.218 174.439 176.519 0.230 0.000 1.382 492 W CA -2.168 55.263 57.345 0.144 0.000 1.398 492 W CB -0.258 29.232 29.460 0.050 0.000 1.481 492 W HN 0.389 nan 8.180 nan 0.000 0.526 493 P HA -0.018 nan 4.420 nan 0.000 0.272 493 P C -0.489 177.019 177.300 0.346 0.000 1.223 493 P CA -0.363 62.955 63.100 0.363 0.000 0.784 493 P CB 1.394 33.220 31.700 0.209 0.000 0.923 494 L N 3.250 124.520 121.223 0.078 0.000 2.397 494 L HA 0.314 4.655 4.340 0.000 0.000 0.271 494 L C -0.241 176.611 176.870 -0.031 0.000 1.148 494 L CA -0.426 54.262 54.840 -0.252 0.000 0.825 494 L CB -0.379 41.537 42.059 -0.239 0.000 1.117 494 L HN 0.216 nan 8.230 nan 0.000 0.456 495 F N 3.991 123.837 119.950 -0.173 0.000 2.411 495 F HA 0.497 5.024 4.527 0.000 0.000 0.355 495 F C 0.209 175.986 175.800 -0.040 0.000 1.117 495 F CA -0.268 57.721 58.000 -0.019 0.000 1.139 495 F CB 0.610 39.637 39.000 0.044 0.000 1.120 495 F HN 0.652 nan 8.300 nan 0.000 0.493 496 T N 0.757 115.023 114.554 -0.481 0.000 2.940 496 T HA 0.290 4.641 4.350 0.000 0.000 0.288 496 T C 1.010 175.391 174.700 -0.530 0.000 1.033 496 T CA -0.096 61.808 62.100 -0.326 0.000 1.033 496 T CB 1.423 70.168 68.868 -0.205 0.000 1.079 496 T HN 0.581 nan 8.240 nan 0.000 0.496 497 T N -0.602 113.819 114.554 -0.223 0.000 2.881 497 T HA -0.058 4.293 4.350 0.000 0.000 0.270 497 T C 1.674 176.271 174.700 -0.173 0.000 1.068 497 T CA 0.932 62.942 62.100 -0.150 0.000 1.131 497 T CB -0.246 68.590 68.868 -0.054 0.000 0.871 497 T HN 0.581 nan 8.240 nan 0.000 0.479 498 K N 1.498 121.795 120.400 -0.172 0.000 1.995 498 K HA 0.077 4.398 4.320 0.000 0.000 0.207 498 K C 2.336 178.847 176.600 -0.148 0.000 1.041 498 K CA 1.264 57.476 56.287 -0.126 0.000 0.942 498 K CB -0.441 32.002 32.500 -0.095 0.000 0.731 498 K HN 0.190 nan 8.250 nan 0.000 0.439 499 E N 0.518 120.606 120.200 -0.187 0.000 2.107 499 E HA -0.017 4.333 4.350 0.000 0.000 0.191 499 E C -0.292 176.176 176.600 -0.219 0.000 0.982 499 E CA 0.659 56.961 56.400 -0.163 0.000 0.809 499 E CB 0.213 29.834 29.700 -0.132 0.000 0.756 499 E HN 0.303 nan 8.360 nan 0.000 0.459 500 Q N -0.010 119.483 119.800 -0.510 0.000 2.453 500 Q HA -0.234 4.106 4.340 0.000 0.000 0.294 500 Q C -0.867 175.084 176.000 -0.082 0.000 1.295 500 Q CA 0.536 55.907 55.803 -0.720 0.000 0.853 500 Q CB -1.490 27.123 28.738 -0.208 0.000 1.193 500 Q HN 0.186 nan 8.270 nan 0.000 0.461 501 K N 0.485 120.856 120.400 -0.048 0.000 2.126 501 K HA 0.635 4.955 4.320 0.000 0.000 0.257 501 K C -0.018 176.884 176.600 0.504 0.000 1.007 501 K CA 0.024 56.413 56.287 0.170 0.000 0.928 501 K CB 0.545 33.083 32.500 0.063 0.000 1.013 501 K HN 0.224 nan 8.250 nan 0.000 0.473 502 F N -0.513 119.607 119.950 0.283 0.000 2.741 502 F HA 0.549 5.076 4.527 0.000 0.000 0.311 502 F C -1.289 174.611 175.800 0.167 0.000 1.149 502 F CA -1.479 56.710 58.000 0.315 0.000 0.930 502 F CB 0.748 39.947 39.000 0.330 0.000 1.312 502 F HN 0.432 nan 8.300 nan 0.000 0.450 503 I N -0.517 120.163 120.570 0.185 0.000 2.846 503 I HA 0.651 4.822 4.170 0.000 0.000 0.307 503 I C -1.106 175.140 176.117 0.215 0.000 1.053 503 I CA -0.819 60.437 61.300 -0.074 0.000 1.050 503 I CB 2.083 39.815 38.000 -0.447 0.000 1.239 503 I HN 0.489 nan 8.210 nan 0.000 0.439 504 D N 3.233 123.745 120.400 0.185 0.000 2.283 504 D HA 0.459 5.099 4.640 0.000 0.000 0.248 504 D C -0.910 175.443 176.300 0.088 0.000 1.072 504 D CA 0.028 54.210 54.000 0.304 0.000 0.929 504 D CB 2.294 43.276 40.800 0.304 0.000 1.182 504 D HN 0.247 nan 8.370 nan 0.000 0.433 505 L N 2.828 124.092 121.223 0.068 0.000 2.388 505 L HA 0.275 4.615 4.340 0.000 0.000 0.267 505 L C -0.706 176.011 176.870 -0.255 0.000 0.995 505 L CA -0.381 54.434 54.840 -0.042 0.000 0.864 505 L CB 0.186 42.298 42.059 0.089 0.000 1.216 505 L HN 0.487 nan 8.230 nan 0.000 0.430 506 N N -0.686 117.886 118.700 -0.214 0.000 3.364 506 N HA 0.309 5.049 4.740 0.000 0.000 0.294 506 N C 0.541 175.895 175.510 -0.259 0.000 1.562 506 N CA -0.126 52.737 53.050 -0.311 0.000 0.862 506 N CB 0.305 38.689 38.487 -0.170 0.000 1.691 506 N HN 0.072 nan 8.380 nan 0.000 0.572 507 T N -3.298 111.078 114.554 -0.298 0.000 2.995 507 T HA 0.043 4.393 4.350 0.000 0.000 0.269 507 T C 0.265 174.915 174.700 -0.083 0.000 1.091 507 T CA 0.812 62.788 62.100 -0.206 0.000 1.128 507 T CB -0.439 68.312 68.868 -0.195 0.000 0.891 507 T HN 0.511 nan 8.240 nan 0.000 0.492 508 E N 2.072 122.242 120.200 -0.049 0.000 2.369 508 E HA 0.312 4.663 4.350 0.000 0.000 0.255 508 E C -2.383 174.212 176.600 -0.008 0.000 1.172 508 E CA -2.180 54.212 56.400 -0.013 0.000 0.932 508 E CB 0.082 29.787 29.700 0.010 0.000 1.040 508 E HN 0.218 nan 8.360 nan 0.000 0.454 509 P HA -0.071 nan 4.420 nan 0.000 0.270 509 P C -0.459 176.843 177.300 0.003 0.000 1.223 509 P CA 0.206 63.310 63.100 0.008 0.000 0.785 509 P CB 0.405 32.110 31.700 0.008 0.000 0.923 510 M N 2.410 122.016 119.600 0.009 0.000 2.248 510 M HA 0.032 4.512 4.480 0.000 0.000 0.345 510 M C -0.348 175.916 176.300 -0.060 0.000 1.243 510 M CA 0.834 56.125 55.300 -0.015 0.000 1.090 510 M CB 0.139 32.747 32.600 0.012 0.000 1.683 510 M HN 0.073 nan 8.290 nan 0.000 0.450 511 K N 4.692 125.023 120.400 -0.115 0.000 2.507 511 K HA 0.418 4.738 4.320 0.000 0.000 0.252 511 K C -1.469 174.855 176.600 -0.460 0.000 0.943 511 K CA -0.556 55.583 56.287 -0.246 0.000 0.808 511 K CB 1.997 34.377 32.500 -0.199 0.000 1.142 511 K HN 0.549 nan 8.250 nan 0.000 0.426 512 V N 4.483 124.125 119.914 -0.454 0.000 2.607 512 V HA 0.303 4.423 4.120 0.000 0.000 0.289 512 V C 0.273 175.908 176.094 -0.765 0.000 1.053 512 V CA -0.250 61.769 62.300 -0.469 0.000 0.996 512 V CB 0.876 32.566 31.823 -0.223 0.000 0.995 512 V HN 0.645 nan 8.190 nan 0.000 0.476 513 H N 2.754 121.475 119.070 -0.582 0.000 2.941 513 H HA 0.619 5.175 4.556 0.000 0.000 0.344 513 H C -1.075 173.944 175.328 -0.516 0.000 1.235 513 H CA -0.812 54.843 56.048 -0.656 0.000 1.149 513 H CB 2.209 31.327 29.762 -1.074 0.000 1.885 513 H HN 0.585 nan 8.280 nan 0.000 0.558 514 Q N 0.482 120.274 119.800 -0.013 0.000 2.389 514 Q HA 0.391 4.731 4.340 0.000 0.000 0.277 514 Q C -0.659 175.549 176.000 0.346 0.000 1.082 514 Q CA -0.931 54.975 55.803 0.173 0.000 0.810 514 Q CB 2.982 31.762 28.738 0.070 0.000 1.374 514 Q HN 0.482 nan 8.270 nan 0.000 0.422 515 R N 0.850 121.578 120.500 0.380 0.000 2.994 515 R HA -0.199 4.141 4.340 0.000 0.000 0.267 515 R C -0.619 175.845 176.300 0.273 0.000 0.914 515 R CA -0.164 56.112 56.100 0.293 0.000 0.668 515 R CB -1.564 28.841 30.300 0.174 0.000 1.524 515 R HN 0.479 nan 8.270 nan 0.000 0.478 516 L N 2.510 123.835 121.223 0.171 0.000 2.584 516 L HA 0.003 4.343 4.340 0.000 0.000 0.272 516 L C 0.907 177.725 176.870 -0.088 0.000 1.195 516 L CA 0.607 55.300 54.840 -0.244 0.000 0.920 516 L CB -0.063 41.494 42.059 -0.837 0.000 1.173 516 L HN 0.450 nan 8.230 nan 0.000 0.489 517 R N 2.671 123.129 120.500 -0.070 0.000 3.184 517 R HA -0.208 4.132 4.340 0.000 0.000 0.242 517 R C 1.135 177.489 176.300 0.089 0.000 0.907 517 R CA 0.688 56.800 56.100 0.020 0.000 0.618 517 R CB -1.641 28.687 30.300 0.047 0.000 1.016 517 R HN 0.698 nan 8.270 nan 0.000 0.469 518 V N 0.288 120.257 119.914 0.091 0.000 2.427 518 V HA -0.284 3.837 4.120 0.000 0.000 0.248 518 V C 2.282 178.445 176.094 0.115 0.000 1.051 518 V CA 2.465 64.834 62.300 0.114 0.000 1.048 518 V CB 0.054 31.943 31.823 0.109 0.000 0.666 518 V HN 0.496 nan 8.190 nan 0.000 0.456 519 Q N -0.565 119.285 119.800 0.085 0.000 2.020 519 Q HA -0.180 4.160 4.340 0.000 0.000 0.202 519 Q C 2.128 178.183 176.000 0.092 0.000 0.982 519 Q CA 2.414 58.252 55.803 0.059 0.000 0.838 519 Q CB -0.336 28.408 28.738 0.011 0.000 0.899 519 Q HN 0.511 nan 8.270 nan 0.000 0.423 520 M N -0.995 118.682 119.600 0.129 0.000 2.175 520 M HA -0.122 4.358 4.480 0.000 0.000 0.264 520 M C 2.355 178.927 176.300 0.453 0.000 1.063 520 M CA 0.897 56.343 55.300 0.243 0.000 1.119 520 M CB -1.178 31.625 32.600 0.340 0.000 1.377 520 M HN 0.327 nan 8.290 nan 0.000 0.415 521 c N -0.276 118.546 118.600 0.370 0.000 2.432 521 c HA -0.032 4.538 4.570 0.000 0.000 0.282 521 c C 2.939 177.205 174.090 0.292 0.000 1.388 521 c CA 0.248 56.802 56.329 0.374 0.000 1.777 521 c CB -0.903 41.760 42.510 0.255 0.000 1.882 521 c HN 0.317 nan 8.230 nan 0.000 0.520 522 V N 0.470 120.522 119.914 0.230 0.000 2.427 522 V HA -0.202 3.918 4.120 0.000 0.000 0.248 522 V C 2.031 178.243 176.094 0.196 0.000 1.051 522 V CA 2.145 64.554 62.300 0.181 0.000 1.048 522 V CB -0.750 31.154 31.823 0.135 0.000 0.666 522 V HN 0.581 nan 8.190 nan 0.000 0.456 523 F N -0.143 119.842 119.950 0.059 0.000 2.113 523 F HA -0.173 4.354 4.527 0.000 0.000 0.297 523 F C 1.978 177.781 175.800 0.006 0.000 1.103 523 F CA 1.614 59.606 58.000 -0.012 0.000 1.248 523 F CB -0.411 38.461 39.000 -0.213 0.000 0.999 523 F HN 0.163 nan 8.300 nan 0.000 0.475 524 W N 0.588 121.914 121.300 0.044 0.000 2.418 524 W HA -0.098 4.562 4.660 0.000 0.000 0.292 524 W C 2.087 178.557 176.519 -0.081 0.000 1.213 524 W CA 0.772 58.080 57.345 -0.062 0.000 1.283 524 W CB -0.396 29.175 29.460 0.185 0.000 1.119 524 W HN -0.032 nan 8.180 nan 0.000 0.542 525 N N -0.733 118.082 118.700 0.192 0.000 2.395 525 N HA -0.030 4.710 4.740 0.000 0.000 0.175 525 N C 1.403 176.910 175.510 -0.005 0.000 1.029 525 N CA 0.988 54.068 53.050 0.051 0.000 0.897 525 N CB -0.096 38.441 38.487 0.084 0.000 0.991 525 N HN 0.359 nan 8.380 nan 0.000 0.441 526 Q N -1.331 118.487 119.800 0.031 0.000 2.619 526 Q HA 0.207 4.547 4.340 0.000 0.000 0.230 526 Q C 1.215 177.221 176.000 0.011 0.000 0.871 526 Q CA -0.147 55.675 55.803 0.032 0.000 0.934 526 Q CB 0.163 28.954 28.738 0.088 0.000 1.183 526 Q HN 0.114 nan 8.270 nan 0.000 0.631 527 F N 1.677 121.545 119.950 -0.137 0.000 2.060 527 F HA -0.172 4.355 4.527 0.000 0.000 0.295 527 F C 1.980 177.619 175.800 -0.269 0.000 1.120 527 F CA 1.043 58.943 58.000 -0.167 0.000 1.205 527 F CB -0.259 38.680 39.000 -0.101 0.000 0.986 527 F HN 0.048 nan 8.300 nan 0.000 0.470 528 L N 1.044 121.913 121.223 -0.590 0.000 2.012 528 L HA -0.096 4.244 4.340 0.000 0.000 0.210 528 L C -0.860 175.775 176.870 -0.392 0.000 1.073 528 L CA 2.167 56.627 54.840 -0.633 0.000 0.748 528 L CB -1.867 39.743 42.059 -0.748 0.000 0.891 528 L HN -0.001 nan 8.230 nan 0.000 0.431 529 P HA -0.229 nan 4.420 nan 0.000 0.215 529 P C 1.466 178.657 177.300 -0.182 0.000 1.157 529 P CA 1.705 64.716 63.100 -0.148 0.000 0.868 529 P CB -0.077 31.562 31.700 -0.103 0.000 0.788 530 K N -0.513 119.749 120.400 -0.229 0.000 2.097 530 K HA -0.156 4.164 4.320 0.000 0.000 0.206 530 K C 1.959 178.386 176.600 -0.288 0.000 1.049 530 K CA 0.989 57.146 56.287 -0.217 0.000 0.933 530 K CB -0.686 31.700 32.500 -0.189 0.000 0.717 530 K HN -0.037 nan 8.250 nan 0.000 0.442 531 L N 1.289 122.228 121.223 -0.473 0.000 2.017 531 L HA -0.119 4.221 4.340 0.000 0.000 0.208 531 L C 1.863 178.585 176.870 -0.247 0.000 1.073 531 L CA 1.556 56.129 54.840 -0.445 0.000 0.745 531 L CB -0.300 41.386 42.059 -0.623 0.000 0.894 531 L HN 0.195 nan 8.230 nan 0.000 0.432 532 L N -0.298 120.795 121.223 -0.217 0.000 2.141 532 L HA -0.171 4.169 4.340 0.000 0.000 0.209 532 L C 2.258 179.073 176.870 -0.092 0.000 1.094 532 L CA 1.439 56.200 54.840 -0.132 0.000 0.763 532 L CB -0.720 41.281 42.059 -0.097 0.000 0.908 532 L HN 0.434 nan 8.230 nan 0.000 0.437 533 N N 0.201 118.843 118.700 -0.098 0.000 2.270 533 N HA -0.097 4.643 4.740 0.000 0.000 0.181 533 N C 1.646 177.118 175.510 -0.064 0.000 1.016 533 N CA 1.147 54.157 53.050 -0.067 0.000 0.870 533 N CB 0.108 38.557 38.487 -0.064 0.000 0.979 533 N HN 0.252 nan 8.380 nan 0.000 0.431 534 A N -0.991 121.778 122.820 -0.085 0.000 2.132 534 A HA 0.164 4.484 4.320 0.000 0.000 0.213 534 A C 1.030 178.579 177.584 -0.059 0.000 1.154 534 A CA 1.047 53.044 52.037 -0.068 0.000 0.753 534 A CB -0.365 18.588 19.000 -0.078 0.000 0.826 534 A HN 0.467 nan 8.150 nan 0.000 0.469 535 T N 0.000 114.512 114.554 -0.070 0.000 3.816 535 T HA 0.000 4.350 4.350 0.000 0.000 0.228 535 T CA 0.000 62.067 62.100 -0.055 0.000 1.349 535 T CB 0.000 68.831 68.868 -0.062 0.000 0.612 535 T HN 0.000 nan 8.240 nan 0.000 0.658