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 3clw_1_F DATA FIRST_RESID 28 DATA SEQUENCE KKVFIIDKQT VYQEIDNFSA SDAWRCAFIG KNWPQEKKEK IADLLFKREF DATA SEQUENCE DEKGNPIGMA LTNWRVNIGA GSYENREAKE VDNSWNRTEC FLSPDGKYDF DATA SEQUENCE TKQAGQQWFM KAARERGMNN FLFFTNSAPY FMTRSASTVS TDQDCINLQN DATA SEQUENCE DKFDDFARFL VKSAQHFREQ GFHVNYISPN NEPNGQWHAN SFQEGSFATK DATA SEQUENCE ADLYRMVEEL DKAISEAQID TKILIPEVGD MKYLFEIDSI AKTPDDIIHS DATA SEQUENCE MFYKDGQYSV LKFKNLFNCV AAHDYWSAYP ATLLVDIRNR IHKELSANGH DATA SEQUENCE NTKFWASEYC ILEKNEEITM PASPERSINL GLYVARIIHN DLTLANASAW DATA SEQUENCE QWWTAVSLGE DVPIQLLPLE GSNGLSLQYD GEISTTKMLW TTANYSFFVR DATA SEQUENCE PGMKRIAIKP TYKISDLEAA TSLMISSYTD GKEVVTVAIN YSKENQVISL DATA SEQUENCE NCDHAQKGKV YLTTIDKNLR YMGEQPLKKL QLPARSVATI VV 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 28 K HA 0.000 nan 4.320 nan 0.000 0.191 28 K C 0.000 176.613 176.600 0.021 0.000 0.988 28 K CA 0.000 56.303 56.287 0.026 0.000 0.838 28 K CB 0.000 32.513 32.500 0.021 0.000 1.064 29 K N 2.063 122.495 120.400 0.053 0.000 2.156 29 K HA 0.406 4.726 4.320 -0.000 0.000 0.271 29 K C -0.800 175.817 176.600 0.029 0.000 0.995 29 K CA -0.723 55.573 56.287 0.015 0.000 0.890 29 K CB 2.164 34.725 32.500 0.102 0.000 1.073 29 K HN 0.299 nan 8.250 nan 0.000 0.454 30 V N 4.704 124.540 119.914 -0.130 0.000 2.459 30 V HA 0.583 4.702 4.120 -0.000 0.000 0.295 30 V C -1.560 174.375 176.094 -0.265 0.000 1.029 30 V CA -0.494 61.764 62.300 -0.071 0.000 0.874 30 V CB 0.480 32.281 31.823 -0.038 0.000 0.985 30 V HN 0.587 nan 8.190 nan 0.000 0.438 31 F N 6.004 125.960 119.950 0.009 0.000 2.520 31 F HA 0.690 5.217 4.527 -0.000 0.000 0.322 31 F C -0.194 175.615 175.800 0.014 0.000 1.103 31 F CA -0.631 57.377 58.000 0.013 0.000 0.926 31 F CB 2.080 41.089 39.000 0.016 0.000 1.154 31 F HN 0.308 nan 8.300 nan 0.000 0.453 32 I N 4.217 124.882 120.570 0.158 0.000 2.389 32 I HA 0.362 4.532 4.170 -0.000 0.000 0.288 32 I C -0.488 175.691 176.117 0.102 0.000 0.999 32 I CA -0.224 61.135 61.300 0.099 0.000 1.129 32 I CB 1.480 39.509 38.000 0.048 0.000 1.288 32 I HN 0.406 nan 8.210 nan 0.000 0.444 33 I N 5.266 125.885 120.570 0.082 0.000 2.342 33 I HA 0.202 4.372 4.170 -0.000 0.000 0.291 33 I C -0.400 175.744 176.117 0.046 0.000 1.010 33 I CA -0.113 61.226 61.300 0.065 0.000 1.308 33 I CB 0.957 38.989 38.000 0.054 0.000 1.400 33 I HN 0.509 nan 8.210 nan 0.000 0.488 34 D N 6.541 126.965 120.400 0.040 0.000 2.464 34 D HA 0.179 4.819 4.640 -0.000 0.000 0.243 34 D C 0.664 176.966 176.300 0.003 0.000 1.104 34 D CA -0.477 53.535 54.000 0.020 0.000 0.883 34 D CB 0.907 41.717 40.800 0.018 0.000 1.050 34 D HN 0.345 nan 8.370 nan 0.000 0.524 35 K N 1.857 122.260 120.400 0.006 0.000 2.520 35 K HA -0.161 4.159 4.320 -0.000 0.000 0.197 35 K C 1.104 177.691 176.600 -0.021 0.000 1.043 35 K CA 0.844 57.130 56.287 -0.000 0.000 0.944 35 K CB 0.329 32.837 32.500 0.013 0.000 0.770 35 K HN 0.308 nan 8.250 nan 0.000 0.480 36 Q N -0.058 119.724 119.800 -0.030 0.000 2.396 36 Q HA 0.052 4.392 4.340 -0.000 0.000 0.209 36 Q C -0.250 175.700 176.000 -0.084 0.000 0.906 36 Q CA 0.607 56.385 55.803 -0.043 0.000 0.927 36 Q CB 1.048 29.770 28.738 -0.027 0.000 1.069 36 Q HN 0.018 nan 8.270 nan 0.000 0.523 37 T N 0.592 115.076 114.554 -0.117 0.000 2.762 37 T HA 0.453 4.803 4.350 -0.000 0.000 0.303 37 T C -0.827 173.643 174.700 -0.383 0.000 0.977 37 T CA -0.334 61.621 62.100 -0.241 0.000 0.961 37 T CB 0.951 69.698 68.868 -0.202 0.000 0.944 37 T HN -0.198 nan 8.240 nan 0.000 0.481 38 V N 4.777 124.448 119.914 -0.404 0.000 2.459 38 V HA 0.467 4.587 4.120 -0.000 0.000 0.295 38 V C -0.605 175.237 176.094 -0.420 0.000 1.029 38 V CA -0.783 61.330 62.300 -0.313 0.000 0.874 38 V CB 0.966 32.719 31.823 -0.118 0.000 0.985 38 V HN 0.748 nan 8.190 nan 0.000 0.438 39 Y N 1.542 121.852 120.300 0.018 0.000 3.214 39 Y HA 0.349 4.899 4.550 -0.000 0.000 0.404 39 Y C 1.058 176.989 175.900 0.051 0.000 1.177 39 Y CA -0.360 57.753 58.100 0.022 0.000 1.288 39 Y CB -0.066 38.383 38.460 -0.017 0.000 1.262 39 Y HN 0.558 nan 8.280 nan 0.000 0.883 40 Q N 2.076 122.034 119.800 0.262 0.000 2.306 40 Q HA 0.105 4.445 4.340 -0.000 0.000 0.241 40 Q C -0.650 175.459 176.000 0.181 0.000 0.948 40 Q CA -0.402 55.514 55.803 0.188 0.000 0.886 40 Q CB 1.287 30.123 28.738 0.163 0.000 1.227 40 Q HN 0.663 nan 8.270 nan 0.000 0.457 41 E N 2.098 122.393 120.200 0.158 0.000 2.331 41 E HA 0.198 4.548 4.350 -0.000 0.000 0.272 41 E C -0.469 176.221 176.600 0.150 0.000 1.036 41 E CA -0.653 55.840 56.400 0.154 0.000 0.864 41 E CB 0.698 30.482 29.700 0.141 0.000 1.035 41 E HN 0.523 nan 8.360 nan 0.000 0.408 42 I N 4.838 125.487 120.570 0.133 0.000 2.352 42 I HA 0.021 4.191 4.170 -0.000 0.000 0.290 42 I C 0.549 176.699 176.117 0.056 0.000 1.036 42 I CA -0.073 61.263 61.300 0.059 0.000 1.336 42 I CB 0.884 38.915 38.000 0.053 0.000 1.407 42 I HN 0.668 nan 8.210 nan 0.000 0.497 43 D N 4.957 125.369 120.400 0.020 0.000 2.214 43 D HA 0.002 4.642 4.640 -0.000 0.000 0.217 43 D C 0.468 176.723 176.300 -0.074 0.000 0.973 43 D CA 1.314 55.356 54.000 0.069 0.000 0.880 43 D CB 0.320 41.287 40.800 0.279 0.000 1.031 43 D HN 0.767 nan 8.370 nan 0.000 0.468 44 N N -1.765 116.748 118.700 -0.310 0.000 3.227 44 N HA 0.306 5.046 4.740 -0.000 0.000 0.241 44 N C -1.874 173.340 175.510 -0.494 0.000 1.480 44 N CA -0.728 52.164 53.050 -0.264 0.000 0.886 44 N CB 0.553 38.904 38.487 -0.226 0.000 1.406 44 N HN -0.167 nan 8.380 nan 0.000 0.514 45 F N -0.551 119.326 119.950 -0.121 0.000 2.532 45 F HA 0.811 5.338 4.527 -0.000 0.000 0.321 45 F C 0.596 176.391 175.800 -0.007 0.000 1.089 45 F CA -0.477 57.493 58.000 -0.050 0.000 0.926 45 F CB 2.359 41.383 39.000 0.038 0.000 1.168 45 F HN 0.625 nan 8.300 nan 0.000 0.459 46 S N 1.087 116.887 115.700 0.167 0.000 2.732 46 S HA 0.967 5.437 4.470 -0.000 0.000 0.293 46 S C -1.278 173.460 174.600 0.229 0.000 1.159 46 S CA -0.204 58.082 58.200 0.143 0.000 0.847 46 S CB 1.708 64.871 63.200 -0.061 0.000 1.169 46 S HN 0.970 nan 8.310 nan 0.000 0.501 47 A N 0.598 123.527 122.820 0.181 0.000 2.557 47 A HA 0.818 5.138 4.320 -0.000 0.000 0.292 47 A C -1.069 176.296 177.584 -0.364 0.000 1.139 47 A CA -0.494 51.581 52.037 0.063 0.000 0.665 47 A CB 1.078 20.192 19.000 0.190 0.000 1.285 47 A HN 0.725 nan 8.150 nan 0.000 0.433 48 S N -0.475 114.916 115.700 -0.514 0.000 2.472 48 S HA 0.460 4.930 4.470 -0.000 0.000 0.303 48 S C 0.082 174.123 174.600 -0.932 0.000 1.099 48 S CA 0.117 57.872 58.200 -0.741 0.000 1.077 48 S CB 1.086 63.935 63.200 -0.584 0.000 1.031 48 S HN 0.777 nan 8.310 nan 0.000 0.487 49 D N 3.028 122.836 120.400 -0.987 0.000 2.349 49 D HA 0.124 4.764 4.640 -0.000 0.000 0.224 49 D C 0.698 176.759 176.300 -0.398 0.000 1.029 49 D CA -0.085 53.602 54.000 -0.523 0.000 0.879 49 D CB -0.326 40.341 40.800 -0.221 0.000 0.906 49 D HN 0.489 nan 8.370 nan 0.000 0.528 50 A N -0.066 122.427 122.820 -0.545 0.000 2.531 50 A HA 0.254 4.574 4.320 -0.000 0.000 0.236 50 A C 0.522 177.876 177.584 -0.383 0.000 1.062 50 A CA 0.168 51.874 52.037 -0.552 0.000 0.760 50 A CB -0.206 18.286 19.000 -0.847 0.000 0.995 50 A HN 0.318 nan 8.150 nan 0.000 0.501 51 W N 0.343 121.589 121.300 -0.089 0.000 0.542 51 W HA -0.347 4.313 4.660 -0.000 0.000 0.215 51 W C 1.743 178.395 176.519 0.223 0.000 0.917 51 W CA 2.014 59.394 57.345 0.060 0.000 0.358 51 W CB -1.636 27.852 29.460 0.046 0.000 1.905 51 W HN 0.839 nan 8.180 nan 0.000 1.157 52 R N -0.727 119.977 120.500 0.341 0.000 2.206 52 R HA 0.174 4.514 4.340 -0.000 0.000 0.198 52 R C 1.889 178.317 176.300 0.213 0.000 0.986 52 R CA 1.169 57.496 56.100 0.379 0.000 1.029 52 R CB -0.699 29.650 30.300 0.082 0.000 0.966 52 R HN 0.198 nan 8.270 nan 0.000 0.487 53 C N 0.921 120.214 119.300 -0.013 0.000 2.435 53 C HA 0.016 4.476 4.460 -0.000 0.000 0.279 53 C C 2.876 177.921 174.990 0.092 0.000 1.321 53 C CA 0.735 59.668 59.018 -0.142 0.000 1.752 53 C CB -0.806 26.640 27.740 -0.489 0.000 1.959 53 C HN 0.565 nan 8.230 nan 0.000 0.500 54 A N 0.535 123.391 122.820 0.060 0.000 1.892 54 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 54 A C 1.809 179.336 177.584 -0.095 0.000 1.188 54 A CA 1.924 53.925 52.037 -0.059 0.000 0.631 54 A CB -0.834 18.011 19.000 -0.258 0.000 0.822 54 A HN 0.543 nan 8.150 nan 0.000 0.447 55 F N -0.393 119.584 119.950 0.046 0.000 2.163 55 F HA -0.009 4.518 4.527 -0.000 0.000 0.297 55 F C 2.154 177.987 175.800 0.055 0.000 1.094 55 F CA 1.171 59.187 58.000 0.027 0.000 1.290 55 F CB -0.408 38.576 39.000 -0.026 0.000 1.017 55 F HN 0.104 nan 8.300 nan 0.000 0.483 56 I N -0.090 120.541 120.570 0.101 0.000 2.179 56 I HA -0.217 3.953 4.170 -0.000 0.000 0.242 56 I C 2.740 178.864 176.117 0.011 0.000 1.088 56 I CA 1.671 62.826 61.300 -0.243 0.000 1.357 56 I CB -1.188 36.556 38.000 -0.427 0.000 1.051 56 I HN 0.183 nan 8.210 nan 0.000 0.409 57 G N 0.135 109.072 108.800 0.229 0.000 2.471 57 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.219 57 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.219 57 G C 1.733 176.558 174.900 -0.124 0.000 1.125 57 G CA 0.515 45.628 45.100 0.022 0.000 0.775 57 G HN 0.295 nan 8.290 nan 0.000 0.548 58 K N -0.430 119.977 120.400 0.012 0.000 2.190 58 K HA 0.076 4.396 4.320 -0.000 0.000 0.202 58 K C 1.787 178.417 176.600 0.050 0.000 1.045 58 K CA 0.511 56.805 56.287 0.012 0.000 0.976 58 K CB 0.179 32.678 32.500 -0.001 0.000 0.849 58 K HN 0.098 nan 8.250 nan 0.000 0.468 59 N N -0.757 118.045 118.700 0.170 0.000 2.407 59 N HA -0.008 4.732 4.740 -0.000 0.000 0.182 59 N C -0.239 175.449 175.510 0.296 0.000 1.079 59 N CA 0.252 53.459 53.050 0.263 0.000 0.882 59 N CB 0.123 38.859 38.487 0.415 0.000 1.106 59 N HN 0.040 nan 8.380 nan 0.000 0.461 60 W N 2.796 124.094 121.300 -0.003 0.000 2.150 60 W HA 0.296 4.955 4.660 -0.000 0.000 0.341 60 W C -1.857 174.615 176.519 -0.079 0.000 1.276 60 W CA -1.634 55.703 57.345 -0.013 0.000 1.238 60 W CB -0.608 28.851 29.460 -0.002 0.000 1.128 60 W HN -0.093 nan 8.180 nan 0.000 0.581 61 P HA -0.118 nan 4.420 nan 0.000 0.264 61 P C 0.683 178.002 177.300 0.032 0.000 1.183 61 P CA 0.241 63.361 63.100 0.033 0.000 0.763 61 P CB 0.677 32.379 31.700 0.002 0.000 0.807 62 Q N 3.094 122.884 119.800 -0.015 0.000 2.118 62 Q HA -0.290 4.050 4.340 -0.000 0.000 0.211 62 Q C 1.571 177.590 176.000 0.031 0.000 0.998 62 Q CA 2.205 57.992 55.803 -0.027 0.000 0.872 62 Q CB -0.479 28.268 28.738 0.015 0.000 0.925 62 Q HN 0.524 nan 8.270 nan 0.000 0.414 63 E N -0.493 119.739 120.200 0.055 0.000 2.051 63 E HA -0.193 4.157 4.350 -0.000 0.000 0.192 63 E C 2.034 178.696 176.600 0.104 0.000 0.991 63 E CA 1.244 57.690 56.400 0.077 0.000 0.799 63 E CB -0.053 29.685 29.700 0.063 0.000 0.748 63 E HN 0.324 nan 8.360 nan 0.000 0.449 64 K N 0.969 121.447 120.400 0.131 0.000 1.991 64 K HA -0.179 4.140 4.320 -0.000 0.000 0.212 64 K C 2.191 178.911 176.600 0.200 0.000 1.049 64 K CA 1.165 57.584 56.287 0.220 0.000 0.932 64 K CB -0.187 32.523 32.500 0.349 0.000 0.717 64 K HN -0.055 nan 8.250 nan 0.000 0.441 65 K N 1.062 121.529 120.400 0.111 0.000 2.077 65 K HA -0.213 4.107 4.320 -0.000 0.000 0.213 65 K C 2.069 178.736 176.600 0.112 0.000 1.051 65 K CA 1.888 58.114 56.287 -0.102 0.000 0.929 65 K CB 0.026 32.152 32.500 -0.625 0.000 0.715 65 K HN 0.216 nan 8.250 nan 0.000 0.451 66 E N 0.378 120.685 120.200 0.179 0.000 2.072 66 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 66 E C 1.984 178.677 176.600 0.155 0.000 0.985 66 E CA 1.009 57.550 56.400 0.235 0.000 0.801 66 E CB -0.093 29.720 29.700 0.187 0.000 0.750 66 E HN 0.149 nan 8.360 nan 0.000 0.452 67 K N 1.865 122.343 120.400 0.129 0.000 2.026 67 K HA -0.119 4.201 4.320 -0.000 0.000 0.208 67 K C 2.022 178.674 176.600 0.087 0.000 1.048 67 K CA 1.077 57.428 56.287 0.106 0.000 0.929 67 K CB -0.537 32.030 32.500 0.112 0.000 0.713 67 K HN 0.067 nan 8.250 nan 0.000 0.439 68 I N 0.747 121.379 120.570 0.102 0.000 2.118 68 I HA -0.326 3.844 4.170 -0.000 0.000 0.241 68 I C 2.341 178.489 176.117 0.053 0.000 1.070 68 I CA 1.539 62.885 61.300 0.075 0.000 1.327 68 I CB -0.539 37.540 38.000 0.131 0.000 1.034 68 I HN 0.313 nan 8.210 nan 0.000 0.405 69 A N 0.262 123.167 122.820 0.141 0.000 1.940 69 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 69 A C 1.934 179.558 177.584 0.066 0.000 1.176 69 A CA 2.204 54.331 52.037 0.149 0.000 0.631 69 A CB -0.620 18.480 19.000 0.167 0.000 0.814 69 A HN 0.384 nan 8.150 nan 0.000 0.446 70 D N 0.050 120.483 120.400 0.055 0.000 2.097 70 D HA -0.107 4.533 4.640 -0.000 0.000 0.195 70 D C 1.924 178.207 176.300 -0.029 0.000 0.989 70 D CA 1.070 55.091 54.000 0.036 0.000 0.827 70 D CB -0.409 40.425 40.800 0.058 0.000 0.966 70 D HN 0.450 nan 8.370 nan 0.000 0.456 71 L N 0.225 121.408 121.223 -0.067 0.000 2.127 71 L HA -0.154 4.186 4.340 -0.000 0.000 0.211 71 L C 2.427 179.129 176.870 -0.280 0.000 1.089 71 L CA 0.693 55.441 54.840 -0.154 0.000 0.757 71 L CB -0.244 41.717 42.059 -0.164 0.000 0.899 71 L HN 0.061 nan 8.230 nan 0.000 0.434 72 L N -2.252 118.716 121.223 -0.425 0.000 2.162 72 L HA -0.061 4.279 4.340 -0.000 0.000 0.205 72 L C 1.728 178.169 176.870 -0.715 0.000 1.086 72 L CA 1.007 55.377 54.840 -0.784 0.000 0.778 72 L CB -0.117 41.048 42.059 -1.490 0.000 0.928 72 L HN 0.169 nan 8.230 nan 0.000 0.446 73 F N -1.530 118.359 119.950 -0.103 0.000 2.784 73 F HA 0.242 4.769 4.527 -0.000 0.000 0.316 73 F C 1.034 176.767 175.800 -0.113 0.000 1.026 73 F CA -0.698 57.232 58.000 -0.117 0.000 1.188 73 F CB 0.215 39.123 39.000 -0.155 0.000 0.999 73 F HN -0.264 nan 8.300 nan 0.000 0.605 74 K N 2.262 122.706 120.400 0.073 0.000 2.312 74 K HA 0.176 4.496 4.320 -0.000 0.000 0.287 74 K C 0.181 176.753 176.600 -0.047 0.000 1.062 74 K CA -0.391 55.907 56.287 0.018 0.000 0.934 74 K CB 0.535 33.057 32.500 0.036 0.000 1.027 74 K HN -0.189 nan 8.250 nan 0.000 0.478 75 R N 4.857 125.263 120.500 -0.157 0.000 2.870 75 R HA 0.142 4.482 4.340 -0.000 0.000 0.254 75 R C -0.943 175.190 176.300 -0.279 0.000 1.392 75 R CA 0.181 56.035 56.100 -0.409 0.000 1.322 75 R CB 0.014 29.990 30.300 -0.541 0.000 1.205 75 R HN 0.748 nan 8.270 nan 0.000 0.597 76 E N 1.879 122.024 120.200 -0.093 0.000 2.433 76 E HA 0.326 4.676 4.350 -0.000 0.000 0.278 76 E C -0.998 175.568 176.600 -0.057 0.000 0.976 76 E CA -0.790 55.605 56.400 -0.008 0.000 0.793 76 E CB 1.691 31.427 29.700 0.060 0.000 1.311 76 E HN 0.110 nan 8.360 nan 0.000 0.460 77 F N 1.136 121.190 119.950 0.173 0.000 2.492 77 F HA 0.181 4.708 4.527 -0.000 0.000 0.327 77 F C 1.010 176.846 175.800 0.060 0.000 1.079 77 F CA -0.840 57.213 58.000 0.089 0.000 0.967 77 F CB 0.993 40.032 39.000 0.065 0.000 1.169 77 F HN 0.349 nan 8.300 nan 0.000 0.472 78 D N 0.945 121.471 120.400 0.211 0.000 2.314 78 D HA 0.157 4.797 4.640 -0.000 0.000 0.252 78 D C 1.087 177.470 176.300 0.138 0.000 1.295 78 D CA 0.306 54.391 54.000 0.141 0.000 0.995 78 D CB -0.059 40.800 40.800 0.098 0.000 1.125 78 D HN 0.661 nan 8.370 nan 0.000 0.537 79 E N -1.056 119.201 120.200 0.095 0.000 2.418 79 E HA -0.077 4.273 4.350 -0.000 0.000 0.197 79 E C 1.463 178.105 176.600 0.070 0.000 1.026 79 E CA 0.802 57.247 56.400 0.075 0.000 0.862 79 E CB -0.687 29.048 29.700 0.057 0.000 0.799 79 E HN 0.497 nan 8.360 nan 0.000 0.518 80 K N -1.143 119.308 120.400 0.086 0.000 2.372 80 K HA 0.321 4.641 4.320 -0.000 0.000 0.200 80 K C 1.027 177.711 176.600 0.140 0.000 1.022 80 K CA 0.267 56.615 56.287 0.102 0.000 1.125 80 K CB 0.898 33.454 32.500 0.092 0.000 0.855 80 K HN 0.413 nan 8.250 nan 0.000 0.524 81 G N 2.314 111.171 108.800 0.095 0.000 2.143 81 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.248 81 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.248 81 G C -0.415 174.630 174.900 0.241 0.000 0.991 81 G CA -0.362 44.722 45.100 -0.026 0.000 0.689 81 G HN 0.281 nan 8.290 nan 0.000 0.522 82 N N 1.500 120.369 118.700 0.282 0.000 2.444 82 N HA 0.413 5.153 4.740 -0.000 0.000 0.271 82 N C -2.583 172.996 175.510 0.115 0.000 1.069 82 N CA -1.292 51.907 53.050 0.248 0.000 0.965 82 N CB 1.233 39.772 38.487 0.088 0.000 1.092 82 N HN 0.071 nan 8.380 nan 0.000 0.476 83 P HA -0.011 nan 4.420 nan 0.000 0.264 83 P C 1.067 178.183 177.300 -0.307 0.000 1.179 83 P CA 0.123 62.674 63.100 -0.915 0.000 0.763 83 P CB 0.464 31.157 31.700 -1.678 0.000 0.806 84 I N 0.364 120.842 120.570 -0.155 0.000 3.419 84 I HA 0.336 4.505 4.170 -0.000 0.000 0.286 84 I C 0.865 177.101 176.117 0.198 0.000 1.268 84 I CA 0.531 61.886 61.300 0.093 0.000 1.414 84 I CB -0.128 37.924 38.000 0.087 0.000 1.074 84 I HN 0.381 nan 8.210 nan 0.000 0.457 85 G N 0.381 109.248 108.800 0.112 0.000 2.435 85 G HA2 0.236 4.196 3.960 -0.000 0.000 0.296 85 G HA3 0.236 4.196 3.960 -0.000 0.000 0.296 85 G C -0.088 174.770 174.900 -0.070 0.000 1.240 85 G CA -0.369 44.685 45.100 -0.077 0.000 0.872 85 G HN 0.006 nan 8.290 nan 0.000 0.480 86 M N 0.599 120.088 119.600 -0.185 0.000 2.229 86 M HA 0.233 4.713 4.480 -0.000 0.000 0.264 86 M C 1.796 178.076 176.300 -0.034 0.000 1.063 86 M CA 1.507 56.745 55.300 -0.104 0.000 1.114 86 M CB -0.286 32.235 32.600 -0.132 0.000 1.387 86 M HN 1.603 nan 8.290 nan 0.000 0.420 87 A N 1.880 124.673 122.820 -0.045 0.000 2.466 87 A HA -0.172 4.148 4.320 -0.000 0.000 0.295 87 A C 0.119 177.680 177.584 -0.038 0.000 1.465 87 A CA 0.207 52.193 52.037 -0.084 0.000 0.744 87 A CB -2.432 16.392 19.000 -0.293 0.000 1.098 87 A HN 0.496 nan 8.150 nan 0.000 0.402 88 L N -0.473 120.769 121.223 0.032 0.000 2.499 88 L HA 0.194 4.534 4.340 -0.000 0.000 0.281 88 L C 1.712 178.686 176.870 0.174 0.000 1.234 88 L CA 0.956 55.885 54.840 0.149 0.000 0.839 88 L CB 0.409 42.594 42.059 0.210 0.000 1.104 88 L HN 0.814 nan 8.230 nan 0.000 0.500 89 T N -2.753 111.895 114.554 0.156 0.000 3.170 89 T HA 0.240 4.590 4.350 -0.000 0.000 0.288 89 T C -0.040 174.686 174.700 0.044 0.000 0.992 89 T CA -0.514 61.633 62.100 0.077 0.000 0.909 89 T CB -0.127 68.776 68.868 0.058 0.000 1.133 89 T HN 0.566 nan 8.240 nan 0.000 0.530 90 N N -0.071 118.686 118.700 0.095 0.000 2.494 90 N HA 0.488 5.228 4.740 -0.000 0.000 0.270 90 N C -2.349 173.332 175.510 0.284 0.000 1.285 90 N CA -0.776 52.321 53.050 0.079 0.000 0.812 90 N CB 1.821 40.307 38.487 -0.002 0.000 1.557 90 N HN 0.352 nan 8.380 nan 0.000 0.487 91 W N 3.339 124.651 121.300 0.019 0.000 2.957 91 W HA 0.491 5.151 4.660 -0.000 0.000 0.336 91 W C -1.163 175.531 176.519 0.292 0.000 1.087 91 W CA -0.644 56.823 57.345 0.204 0.000 1.235 91 W CB 1.443 31.074 29.460 0.285 0.000 1.399 91 W HN 0.467 nan 8.180 nan 0.000 0.480 92 R N 4.168 124.508 120.500 -0.266 0.000 2.207 92 R HA 0.408 4.748 4.340 -0.000 0.000 0.334 92 R C -0.670 175.514 176.300 -0.195 0.000 1.013 92 R CA -0.622 55.422 56.100 -0.095 0.000 0.858 92 R CB 1.906 32.097 30.300 -0.183 0.000 1.094 92 R HN 0.148 nan 8.270 nan 0.000 0.457 93 V N 3.506 123.489 119.914 0.114 0.000 2.370 93 V HA 0.127 4.247 4.120 -0.000 0.000 0.283 93 V C 0.376 176.228 176.094 -0.403 0.000 1.023 93 V CA -0.805 61.425 62.300 -0.116 0.000 0.857 93 V CB 1.338 33.119 31.823 -0.070 0.000 0.985 93 V HN 0.764 nan 8.190 nan 0.000 0.443 94 N N 5.574 123.878 118.700 -0.660 0.000 2.402 94 N HA 0.145 4.885 4.740 -0.000 0.000 0.259 94 N C -0.280 174.810 175.510 -0.699 0.000 1.167 94 N CA -0.751 51.601 53.050 -1.163 0.000 0.949 94 N CB 0.353 38.361 38.487 -0.799 0.000 1.212 94 N HN 0.499 nan 8.380 nan 0.000 0.493 95 I N 2.868 123.042 120.570 -0.661 0.000 2.587 95 I HA 0.022 4.192 4.170 -0.000 0.000 0.284 95 I C 1.570 177.530 176.117 -0.260 0.000 1.134 95 I CA 0.081 61.126 61.300 -0.424 0.000 1.410 95 I CB -0.165 37.658 38.000 -0.295 0.000 1.392 95 I HN 0.476 nan 8.210 nan 0.000 0.545 96 G N 4.542 113.179 108.800 -0.271 0.000 2.483 96 G HA2 0.368 4.328 3.960 -0.000 0.000 0.248 96 G HA3 0.368 4.328 3.960 -0.000 0.000 0.248 96 G C 0.473 175.338 174.900 -0.058 0.000 1.248 96 G CA -0.078 44.920 45.100 -0.170 0.000 0.838 96 G HN 0.831 nan 8.290 nan 0.000 0.566 97 A N 0.361 123.146 122.820 -0.059 0.000 2.470 97 A HA 0.558 4.878 4.320 -0.000 0.000 0.251 97 A C 1.594 179.172 177.584 -0.012 0.000 1.245 97 A CA 0.927 52.903 52.037 -0.102 0.000 0.932 97 A CB -0.133 18.794 19.000 -0.122 0.000 1.037 97 A HN 2.345 nan 8.150 nan 0.000 0.522 98 G N 0.369 109.201 108.800 0.054 0.000 2.142 98 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.225 98 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.225 98 G C 1.035 175.978 174.900 0.073 0.000 1.015 98 G CA 1.021 46.237 45.100 0.193 0.000 0.716 98 G HN 1.323 nan 8.290 nan 0.000 0.508 99 S N -1.315 114.389 115.700 0.007 0.000 2.419 99 S HA -0.145 4.325 4.470 -0.000 0.000 0.233 99 S C 1.874 176.427 174.600 -0.077 0.000 1.016 99 S CA 1.639 59.794 58.200 -0.074 0.000 0.974 99 S CB -0.309 62.867 63.200 -0.040 0.000 0.786 99 S HN 0.970 nan 8.310 nan 0.000 0.492 100 Y N 2.727 122.963 120.300 -0.106 0.000 2.070 100 Y HA -0.120 4.430 4.550 -0.000 0.000 0.279 100 Y C 2.280 178.108 175.900 -0.121 0.000 1.134 100 Y CA 2.185 60.226 58.100 -0.098 0.000 1.113 100 Y CB -0.760 37.653 38.460 -0.078 0.000 0.981 100 Y HN 0.227 nan 8.280 nan 0.000 0.487 101 E N -0.018 120.110 120.200 -0.120 0.000 2.118 101 E HA -0.234 4.116 4.350 -0.000 0.000 0.195 101 E C 1.521 177.897 176.600 -0.373 0.000 0.992 101 E CA 1.523 57.801 56.400 -0.203 0.000 0.804 101 E CB -0.372 29.347 29.700 0.032 0.000 0.741 101 E HN 0.341 nan 8.360 nan 0.000 0.458 102 N N 0.471 118.838 118.700 -0.555 0.000 2.362 102 N HA -0.027 4.713 4.740 -0.000 0.000 0.204 102 N C 0.885 176.154 175.510 -0.401 0.000 1.166 102 N CA -0.021 52.612 53.050 -0.696 0.000 0.831 102 N CB 0.029 37.748 38.487 -1.280 0.000 1.008 102 N HN 0.182 nan 8.380 nan 0.000 0.472 103 R N -0.273 120.023 120.500 -0.340 0.000 2.189 103 R HA -0.014 4.326 4.340 -0.000 0.000 0.223 103 R C 0.722 176.911 176.300 -0.185 0.000 1.092 103 R CA 1.072 57.024 56.100 -0.246 0.000 0.989 103 R CB -0.288 29.860 30.300 -0.253 0.000 0.876 103 R HN 0.333 nan 8.270 nan 0.000 0.457 104 E N 1.216 121.305 120.200 -0.186 0.000 2.274 104 E HA 0.037 4.387 4.350 -0.000 0.000 0.194 104 E C 0.859 177.395 176.600 -0.107 0.000 0.996 104 E CA 0.456 56.779 56.400 -0.130 0.000 0.840 104 E CB 0.136 29.766 29.700 -0.117 0.000 0.772 104 E HN 0.475 nan 8.360 nan 0.000 0.491 105 A N 1.767 124.511 122.820 -0.127 0.000 2.256 105 A HA 0.073 4.393 4.320 -0.000 0.000 0.276 105 A C 0.222 177.761 177.584 -0.074 0.000 1.259 105 A CA -0.211 51.769 52.037 -0.094 0.000 0.813 105 A CB 0.196 19.131 19.000 -0.107 0.000 1.200 105 A HN -0.024 nan 8.150 nan 0.000 0.506 106 K N 1.068 121.439 120.400 -0.048 0.000 2.243 106 K HA 0.125 4.445 4.320 -0.000 0.000 0.232 106 K C -0.279 176.304 176.600 -0.028 0.000 1.237 106 K CA 0.172 56.443 56.287 -0.027 0.000 1.161 106 K CB -0.061 32.435 32.500 -0.008 0.000 1.505 106 K HN 0.473 nan 8.250 nan 0.000 0.271 107 E N 0.429 120.601 120.200 -0.047 0.000 2.568 107 E HA 0.256 4.606 4.350 -0.000 0.000 0.242 107 E C -0.095 176.485 176.600 -0.033 0.000 0.945 107 E CA -1.005 55.362 56.400 -0.055 0.000 0.918 107 E CB 1.166 30.799 29.700 -0.111 0.000 1.386 107 E HN -0.035 nan 8.360 nan 0.000 0.426 108 V N 2.687 122.576 119.914 -0.043 0.000 2.681 108 V HA -0.155 3.965 4.120 -0.000 0.000 0.306 108 V C 0.837 176.899 176.094 -0.055 0.000 1.077 108 V CA 0.975 63.245 62.300 -0.051 0.000 1.224 108 V CB -0.170 31.601 31.823 -0.087 0.000 0.879 108 V HN 0.609 nan 8.190 nan 0.000 0.494 109 D N 2.467 122.844 120.400 -0.038 0.000 2.336 109 D HA 0.095 4.735 4.640 -0.000 0.000 0.228 109 D C 0.086 176.374 176.300 -0.019 0.000 1.120 109 D CA -0.266 53.728 54.000 -0.011 0.000 0.839 109 D CB -0.350 40.472 40.800 0.036 0.000 0.932 109 D HN 0.791 nan 8.370 nan 0.000 0.509 110 N N -2.239 116.421 118.700 -0.066 0.000 2.598 110 N HA 0.170 4.910 4.740 -0.000 0.000 0.263 110 N C 0.395 175.869 175.510 -0.061 0.000 1.254 110 N CA -0.401 52.617 53.050 -0.054 0.000 0.863 110 N CB 1.381 39.838 38.487 -0.051 0.000 1.586 110 N HN -0.181 nan 8.380 nan 0.000 0.491 111 S N -0.412 115.263 115.700 -0.043 0.000 2.399 111 S HA -0.145 4.325 4.470 -0.000 0.000 0.231 111 S C 1.038 175.659 174.600 0.035 0.000 1.022 111 S CA 0.494 58.686 58.200 -0.013 0.000 0.983 111 S CB -0.828 62.319 63.200 -0.087 0.000 0.803 111 S HN 0.701 nan 8.310 nan 0.000 0.480 112 W N 2.570 123.788 121.300 -0.138 0.000 2.342 112 W HA 0.042 4.702 4.660 -0.000 0.000 0.297 112 W C 1.523 177.962 176.519 -0.133 0.000 1.213 112 W CA 0.697 57.952 57.345 -0.150 0.000 1.251 112 W CB -0.187 29.112 29.460 -0.267 0.000 1.136 112 W HN 0.351 nan 8.180 nan 0.000 0.526 113 N N -0.578 118.001 118.700 -0.202 0.000 2.203 113 N HA 0.109 4.849 4.740 -0.000 0.000 0.207 113 N C -0.131 175.255 175.510 -0.207 0.000 1.130 113 N CA 0.108 52.796 53.050 -0.604 0.000 0.861 113 N CB 0.028 37.684 38.487 -1.386 0.000 1.005 113 N HN 0.030 nan 8.380 nan 0.000 0.507 114 R N 0.445 120.925 120.500 -0.034 0.000 2.531 114 R HA 0.392 4.732 4.340 -0.000 0.000 0.273 114 R C 0.429 176.768 176.300 0.065 0.000 1.070 114 R CA -0.001 56.121 56.100 0.036 0.000 1.112 114 R CB 0.707 31.074 30.300 0.112 0.000 1.049 114 R HN 0.074 nan 8.270 nan 0.000 0.508 115 T N -1.813 112.773 114.554 0.053 0.000 2.906 115 T HA 0.334 4.684 4.350 -0.000 0.000 0.295 115 T C -0.242 174.465 174.700 0.011 0.000 1.061 115 T CA -1.113 60.983 62.100 -0.007 0.000 1.000 115 T CB 1.842 70.692 68.868 -0.031 0.000 1.103 115 T HN 0.460 nan 8.240 nan 0.000 0.486 116 E N -0.099 120.056 120.200 -0.075 0.000 2.369 116 E HA 0.469 4.819 4.350 -0.000 0.000 0.255 116 E C -0.613 175.924 176.600 -0.105 0.000 1.172 116 E CA -0.768 55.606 56.400 -0.043 0.000 0.932 116 E CB 1.045 30.675 29.700 -0.117 0.000 1.040 116 E HN 0.690 nan 8.360 nan 0.000 0.454 117 C N 1.702 120.975 119.300 -0.045 0.000 2.498 117 C HA 0.324 4.784 4.460 -0.000 0.000 0.316 117 C C 0.965 175.937 174.990 -0.030 0.000 1.209 117 C CA -0.659 58.314 59.018 -0.076 0.000 1.518 117 C CB -0.457 27.282 27.740 -0.002 0.000 2.147 117 C HN 0.752 nan 8.230 nan 0.000 0.483 118 F N 2.856 122.884 119.950 0.130 0.000 2.202 118 F HA 0.074 4.601 4.527 -0.000 0.000 0.301 118 F C 0.936 176.619 175.800 -0.194 0.000 1.082 118 F CA 0.931 58.914 58.000 -0.027 0.000 1.313 118 F CB -0.450 38.558 39.000 0.012 0.000 1.024 118 F HN 0.409 nan 8.300 nan 0.000 0.495 119 L N -0.072 121.143 121.223 -0.013 0.000 2.317 119 L HA 0.467 4.807 4.340 -0.000 0.000 0.281 119 L C 0.146 176.891 176.870 -0.208 0.000 1.024 119 L CA -0.664 53.947 54.840 -0.382 0.000 0.810 119 L CB 1.235 43.008 42.059 -0.476 0.000 1.240 119 L HN 0.004 nan 8.230 nan 0.000 0.427 120 S N 3.397 118.853 115.700 -0.406 0.000 2.704 120 S HA 0.657 5.127 4.470 -0.000 0.000 0.305 120 S C -2.162 171.738 174.600 -1.167 0.000 1.107 120 S CA -1.330 56.531 58.200 -0.566 0.000 0.993 120 S CB 1.188 64.205 63.200 -0.305 0.000 1.110 120 S HN 0.561 nan 8.310 nan 0.000 0.534 121 P HA -0.102 nan 4.420 nan 0.000 0.222 121 P C 0.483 177.418 177.300 -0.607 0.000 1.142 121 P CA 1.326 63.690 63.100 -1.227 0.000 0.788 121 P CB -0.220 31.084 31.700 -0.661 0.000 0.767 122 D N -2.269 117.870 120.400 -0.436 0.000 2.328 122 D HA 0.128 4.768 4.640 -0.000 0.000 0.221 122 D C 1.340 177.513 176.300 -0.211 0.000 1.072 122 D CA 0.305 54.154 54.000 -0.252 0.000 0.850 122 D CB -0.852 39.845 40.800 -0.172 0.000 0.922 122 D HN 0.180 nan 8.370 nan 0.000 0.516 123 G N 0.072 108.701 108.800 -0.284 0.000 2.157 123 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.248 123 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.248 123 G C 0.070 174.883 174.900 -0.145 0.000 0.979 123 G CA -0.024 44.967 45.100 -0.183 0.000 0.650 123 G HN 0.321 nan 8.290 nan 0.000 0.529 124 K N -0.319 119.967 120.400 -0.191 0.000 2.098 124 K HA 0.651 4.971 4.320 -0.000 0.000 0.258 124 K C -0.667 175.805 176.600 -0.215 0.000 0.973 124 K CA -0.747 55.480 56.287 -0.100 0.000 0.898 124 K CB 1.039 33.498 32.500 -0.069 0.000 1.057 124 K HN 0.190 nan 8.250 nan 0.000 0.447 125 Y N 0.274 120.515 120.300 -0.099 0.000 2.352 125 Y HA 0.171 4.721 4.550 -0.000 0.000 0.339 125 Y C -0.104 175.630 175.900 -0.277 0.000 0.992 125 Y CA -0.533 57.419 58.100 -0.247 0.000 1.100 125 Y CB 1.697 39.966 38.460 -0.318 0.000 1.192 125 Y HN 0.476 nan 8.280 nan 0.000 0.458 126 D N 3.148 123.441 120.400 -0.177 0.000 2.420 126 D HA 0.208 4.848 4.640 -0.000 0.000 0.255 126 D C -0.691 175.565 176.300 -0.073 0.000 1.185 126 D CA -0.421 53.532 54.000 -0.079 0.000 0.904 126 D CB 0.201 41.009 40.800 0.012 0.000 1.102 126 D HN 0.325 nan 8.370 nan 0.000 0.534 127 F N 1.197 121.120 119.950 -0.045 0.000 2.804 127 F HA 0.043 4.570 4.527 -0.000 0.000 0.303 127 F C 2.480 178.308 175.800 0.047 0.000 1.154 127 F CA 0.523 58.374 58.000 -0.248 0.000 1.401 127 F CB -0.107 38.336 39.000 -0.930 0.000 1.106 127 F HN 0.368 nan 8.300 nan 0.000 0.568 128 T N -3.066 111.627 114.554 0.232 0.000 3.085 128 T HA 0.016 4.366 4.350 -0.000 0.000 0.263 128 T C 0.988 175.827 174.700 0.233 0.000 1.127 128 T CA 0.153 62.380 62.100 0.211 0.000 1.103 128 T CB -0.148 68.803 68.868 0.139 0.000 0.921 128 T HN 0.062 nan 8.240 nan 0.000 0.510 129 K N 1.140 121.713 120.400 0.288 0.000 2.132 129 K HA 0.205 4.525 4.320 -0.000 0.000 0.240 129 K C 0.384 177.158 176.600 0.290 0.000 1.036 129 K CA -0.303 56.118 56.287 0.222 0.000 0.888 129 K CB 0.100 32.695 32.500 0.158 0.000 1.071 129 K HN 0.228 nan 8.250 nan 0.000 0.502 130 Q N -1.090 118.742 119.800 0.055 0.000 2.457 130 Q HA -0.310 4.030 4.340 -0.000 0.000 0.283 130 Q C 0.752 176.829 176.000 0.129 0.000 1.234 130 Q CA 0.395 56.206 55.803 0.012 0.000 0.877 130 Q CB -1.878 26.802 28.738 -0.097 0.000 1.250 130 Q HN 0.771 nan 8.270 nan 0.000 0.481 131 A N 0.174 123.066 122.820 0.120 0.000 1.883 131 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 131 A C 2.140 179.835 177.584 0.184 0.000 1.186 131 A CA 1.989 54.122 52.037 0.161 0.000 0.624 131 A CB -0.849 18.221 19.000 0.116 0.000 0.822 131 A HN 0.673 nan 8.150 nan 0.000 0.444 132 G N -1.232 107.643 108.800 0.126 0.000 2.432 132 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.219 132 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.219 132 G C 1.586 176.727 174.900 0.401 0.000 1.135 132 G CA 0.995 46.227 45.100 0.220 0.000 0.767 132 G HN 0.666 nan 8.290 nan 0.000 0.550 133 Q N -0.379 119.574 119.800 0.256 0.000 2.137 133 Q HA -0.010 4.329 4.340 -0.000 0.000 0.198 133 Q C 2.693 178.834 176.000 0.235 0.000 0.960 133 Q CA 0.889 56.851 55.803 0.264 0.000 0.847 133 Q CB -0.087 28.687 28.738 0.059 0.000 0.915 133 Q HN 0.537 nan 8.270 nan 0.000 0.448 134 Q N -0.502 119.393 119.800 0.159 0.000 2.167 134 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 134 Q C 1.592 177.642 176.000 0.083 0.000 0.970 134 Q CA 1.090 56.929 55.803 0.060 0.000 0.855 134 Q CB -0.179 28.678 28.738 0.199 0.000 0.911 134 Q HN 0.447 nan 8.270 nan 0.000 0.438 135 W N 0.436 121.776 121.300 0.067 0.000 2.335 135 W HA -0.218 4.442 4.660 -0.000 0.000 0.311 135 W C 1.462 177.940 176.519 -0.068 0.000 1.213 135 W CA 1.478 58.823 57.345 0.000 0.000 1.274 135 W CB -0.331 29.110 29.460 -0.032 0.000 1.148 135 W HN 0.038 nan 8.180 nan 0.000 0.498 136 F N 0.098 120.155 119.950 0.179 0.000 2.134 136 F HA -0.258 4.269 4.527 -0.000 0.000 0.299 136 F C 2.508 178.147 175.800 -0.268 0.000 1.097 136 F CA 2.043 60.042 58.000 -0.000 0.000 1.264 136 F CB -0.817 38.338 39.000 0.258 0.000 1.001 136 F HN -0.188 nan 8.300 nan 0.000 0.479 137 M N -0.174 119.386 119.600 -0.066 0.000 2.082 137 M HA -0.286 4.194 4.480 -0.000 0.000 0.258 137 M C 2.244 178.429 176.300 -0.192 0.000 1.069 137 M CA 1.900 56.982 55.300 -0.363 0.000 1.102 137 M CB -0.558 31.368 32.600 -1.123 0.000 1.336 137 M HN -0.021 nan 8.290 nan 0.000 0.404 138 K N 0.503 120.773 120.400 -0.216 0.000 2.032 138 K HA -0.148 4.172 4.320 -0.000 0.000 0.209 138 K C 1.994 178.383 176.600 -0.351 0.000 1.048 138 K CA 1.611 57.838 56.287 -0.100 0.000 0.927 138 K CB -0.181 32.201 32.500 -0.196 0.000 0.712 138 K HN 0.292 nan 8.250 nan 0.000 0.441 139 A N 0.960 123.340 122.820 -0.732 0.000 1.883 139 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 139 A C 2.352 179.662 177.584 -0.457 0.000 1.186 139 A CA 2.049 53.638 52.037 -0.746 0.000 0.624 139 A CB -1.042 17.250 19.000 -1.179 0.000 0.822 139 A HN 0.500 nan 8.150 nan 0.000 0.444 140 A N -0.309 122.135 122.820 -0.626 0.000 1.865 140 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 140 A C 2.284 179.629 177.584 -0.399 0.000 1.191 140 A CA 1.980 53.440 52.037 -0.961 0.000 0.623 140 A CB -0.573 17.517 19.000 -1.516 0.000 0.826 140 A HN 0.560 nan 8.150 nan 0.000 0.444 141 R N -0.410 120.014 120.500 -0.128 0.000 2.120 141 R HA -0.144 4.196 4.340 -0.000 0.000 0.234 141 R C 2.012 178.252 176.300 -0.099 0.000 1.123 141 R CA 1.654 57.737 56.100 -0.029 0.000 0.975 141 R CB -0.250 30.117 30.300 0.112 0.000 0.866 141 R HN 0.699 nan 8.270 nan 0.000 0.446 142 E N -0.130 119.991 120.200 -0.132 0.000 2.268 142 E HA -0.135 4.215 4.350 -0.000 0.000 0.195 142 E C 1.157 177.702 176.600 -0.093 0.000 0.995 142 E CA 0.782 57.112 56.400 -0.117 0.000 0.836 142 E CB 0.249 29.863 29.700 -0.144 0.000 0.763 142 E HN 0.256 nan 8.360 nan 0.000 0.491 143 R N -1.295 119.143 120.500 -0.104 0.000 2.427 143 R HA 0.148 4.488 4.340 -0.000 0.000 0.262 143 R C 0.683 176.943 176.300 -0.066 0.000 0.943 143 R CA 0.495 56.559 56.100 -0.060 0.000 1.081 143 R CB 0.982 31.276 30.300 -0.010 0.000 1.166 143 R HN 0.180 nan 8.270 nan 0.000 0.534 144 G N 0.707 109.458 108.800 -0.082 0.000 2.132 144 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.234 144 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.234 144 G C -0.074 174.776 174.900 -0.083 0.000 0.989 144 G CA -0.165 44.892 45.100 -0.070 0.000 0.676 144 G HN 0.181 nan 8.290 nan 0.000 0.522 145 M N 1.226 120.748 119.600 -0.131 0.000 2.023 145 M HA 0.499 4.979 4.480 -0.000 0.000 0.325 145 M C -0.654 175.497 176.300 -0.248 0.000 0.963 145 M CA -0.976 54.214 55.300 -0.183 0.000 0.928 145 M CB 0.711 33.180 32.600 -0.219 0.000 1.429 145 M HN 0.063 nan 8.290 nan 0.000 0.404 146 N N 4.141 122.751 118.700 -0.151 0.000 2.886 146 N HA 0.258 4.998 4.740 -0.000 0.000 0.285 146 N C -1.684 173.777 175.510 -0.082 0.000 1.706 146 N CA -0.023 52.997 53.050 -0.050 0.000 0.904 146 N CB 0.235 38.797 38.487 0.125 0.000 1.224 146 N HN 0.593 nan 8.380 nan 0.000 0.488 147 N N 1.640 120.045 118.700 -0.492 0.000 2.558 147 N HA 0.319 5.059 4.740 -0.000 0.000 0.285 147 N C -1.955 173.293 175.510 -0.436 0.000 1.112 147 N CA -0.228 52.668 53.050 -0.256 0.000 0.857 147 N CB 0.289 38.727 38.487 -0.082 0.000 1.376 147 N HN -0.004 nan 8.380 nan 0.000 0.526 148 F N 2.010 122.063 119.950 0.172 0.000 2.532 148 F HA 0.524 5.051 4.527 -0.000 0.000 0.321 148 F C -0.066 175.857 175.800 0.204 0.000 1.089 148 F CA -0.961 57.152 58.000 0.189 0.000 0.926 148 F CB 1.902 40.958 39.000 0.093 0.000 1.168 148 F HN 0.230 nan 8.300 nan 0.000 0.459 149 L N 3.747 125.258 121.223 0.480 0.000 2.329 149 L HA 0.596 4.936 4.340 -0.000 0.000 0.279 149 L C -1.549 175.683 176.870 0.603 0.000 1.014 149 L CA -0.367 54.753 54.840 0.466 0.000 0.814 149 L CB 1.226 43.522 42.059 0.395 0.000 1.257 149 L HN 0.570 nan 8.230 nan 0.000 0.424 150 F N 5.216 125.308 119.950 0.238 0.000 2.436 150 F HA 0.482 5.009 4.527 -0.000 0.000 0.340 150 F C -0.341 175.593 175.800 0.223 0.000 1.113 150 F CA -0.987 57.104 58.000 0.151 0.000 1.022 150 F CB 1.621 40.659 39.000 0.063 0.000 1.128 150 F HN 0.460 nan 8.300 nan 0.000 0.466 151 F N 0.732 120.767 119.950 0.141 0.000 2.599 151 F HA 0.790 5.317 4.527 -0.000 0.000 0.311 151 F C -1.021 174.817 175.800 0.063 0.000 1.076 151 F CA -0.955 57.101 58.000 0.094 0.000 0.937 151 F CB 1.398 40.447 39.000 0.080 0.000 1.282 151 F HN 0.310 nan 8.300 nan 0.000 0.460 152 T N -0.611 114.032 114.554 0.150 0.000 2.907 152 T HA 0.422 4.772 4.350 -0.000 0.000 0.292 152 T C -0.453 174.342 174.700 0.159 0.000 1.043 152 T CA -0.822 61.324 62.100 0.078 0.000 1.003 152 T CB 1.809 70.848 68.868 0.286 0.000 1.084 152 T HN 0.648 nan 8.240 nan 0.000 0.483 153 N N 0.190 118.922 118.700 0.054 0.000 2.250 153 N HA 0.253 4.993 4.740 -0.000 0.000 0.190 153 N C -0.113 175.326 175.510 -0.118 0.000 1.116 153 N CA 0.066 53.095 53.050 -0.034 0.000 0.881 153 N CB 0.979 39.446 38.487 -0.033 0.000 1.006 153 N HN 0.686 nan 8.380 nan 0.000 0.491 154 S N -0.843 114.813 115.700 -0.074 0.000 2.547 154 S HA 0.706 5.176 4.470 -0.000 0.000 0.270 154 S C -1.312 173.118 174.600 -0.284 0.000 1.150 154 S CA -0.671 57.427 58.200 -0.171 0.000 0.850 154 S CB 1.239 64.341 63.200 -0.162 0.000 1.118 154 S HN 0.186 nan 8.310 nan 0.000 0.461 155 A N 3.262 125.694 122.820 -0.648 0.000 2.386 155 A HA 0.640 4.960 4.320 -0.000 0.000 0.246 155 A C -2.614 174.525 177.584 -0.743 0.000 1.089 155 A CA -1.059 50.256 52.037 -1.204 0.000 0.790 155 A CB -0.796 17.304 19.000 -1.500 0.000 1.042 155 A HN 0.607 nan 8.150 nan 0.000 0.497 156 P HA -0.011 nan 4.420 nan 0.000 0.264 156 P C 0.175 176.840 177.300 -1.058 0.000 1.183 156 P CA 0.477 62.952 63.100 -1.041 0.000 0.763 156 P CB 0.038 30.726 31.700 -1.686 0.000 0.807 157 Y N 2.681 122.599 120.300 -0.637 0.000 2.241 157 Y HA -0.238 4.312 4.550 -0.000 0.000 0.286 157 Y C 1.628 177.324 175.900 -0.340 0.000 1.166 157 Y CA 1.094 58.974 58.100 -0.367 0.000 1.203 157 Y CB -1.955 36.408 38.460 -0.162 0.000 0.977 157 Y HN 0.299 nan 8.280 nan 0.000 0.529 158 F N -1.497 118.010 119.950 -0.739 0.000 2.661 158 F HA 0.221 4.748 4.527 -0.000 0.000 0.298 158 F C 1.666 177.281 175.800 -0.308 0.000 1.137 158 F CA 0.181 57.890 58.000 -0.485 0.000 1.454 158 F CB -0.730 37.900 39.000 -0.618 0.000 1.103 158 F HN 0.029 nan 8.300 nan 0.000 0.577 159 M N 1.015 120.260 119.600 -0.592 0.000 2.428 159 M HA 0.128 4.608 4.480 -0.000 0.000 0.239 159 M C 0.588 176.700 176.300 -0.314 0.000 1.121 159 M CA 0.091 55.155 55.300 -0.392 0.000 1.019 159 M CB -0.011 32.269 32.600 -0.533 0.000 1.485 159 M HN 0.244 nan 8.290 nan 0.000 0.484 160 T N -2.351 112.036 114.554 -0.279 0.000 2.862 160 T HA 0.360 4.710 4.350 -0.000 0.000 0.276 160 T C 0.967 175.601 174.700 -0.110 0.000 0.974 160 T CA -0.729 61.246 62.100 -0.208 0.000 0.966 160 T CB 1.687 70.447 68.868 -0.179 0.000 1.072 160 T HN 0.199 nan 8.240 nan 0.000 0.538 161 R N 0.134 120.588 120.500 -0.076 0.000 2.127 161 R HA 0.043 4.383 4.340 -0.000 0.000 0.217 161 R C 2.578 178.867 176.300 -0.018 0.000 1.074 161 R CA 1.127 57.207 56.100 -0.034 0.000 0.991 161 R CB -0.203 30.087 30.300 -0.016 0.000 0.895 161 R HN 0.814 nan 8.270 nan 0.000 0.450 162 S N 0.058 115.749 115.700 -0.016 0.000 2.603 162 S HA 0.210 4.680 4.470 -0.000 0.000 0.220 162 S C 1.073 175.678 174.600 0.008 0.000 0.967 162 S CA 0.275 58.475 58.200 -0.001 0.000 0.920 162 S CB 0.684 63.889 63.200 0.009 0.000 0.773 162 S HN 0.336 nan 8.310 nan 0.000 0.529 163 A N -0.311 122.514 122.820 0.009 0.000 2.872 163 A HA -0.016 4.304 4.320 -0.000 0.000 0.273 163 A C 0.490 178.124 177.584 0.083 0.000 1.442 163 A CA 0.755 52.824 52.037 0.054 0.000 0.801 163 A CB -2.143 16.892 19.000 0.058 0.000 1.031 163 A HN 1.566 nan 8.150 nan 0.000 0.582 164 S N -2.261 113.466 115.700 0.045 0.000 2.558 164 S HA 0.567 5.037 4.470 -0.000 0.000 0.277 164 S C 0.909 175.508 174.600 -0.002 0.000 1.143 164 S CA 1.039 59.257 58.200 0.029 0.000 0.865 164 S CB 0.833 64.033 63.200 -0.000 0.000 1.102 164 S HN 1.756 nan 8.310 nan 0.000 0.454 165 T N 0.592 115.141 114.554 -0.009 0.000 2.977 165 T HA 0.064 4.414 4.350 -0.000 0.000 0.271 165 T C 0.621 175.317 174.700 -0.007 0.000 1.105 165 T CA 1.031 63.108 62.100 -0.038 0.000 1.116 165 T CB -0.407 68.438 68.868 -0.037 0.000 0.878 165 T HN 0.468 nan 8.240 nan 0.000 0.509 166 V N 3.769 123.694 119.914 0.018 0.000 2.334 166 V HA 0.387 4.507 4.120 -0.000 0.000 0.267 166 V C 0.821 176.961 176.094 0.077 0.000 1.040 166 V CA -0.848 61.492 62.300 0.066 0.000 0.866 166 V CB 0.323 32.186 31.823 0.067 0.000 1.019 166 V HN 0.690 nan 8.190 nan 0.000 0.468 167 S N 3.590 119.359 115.700 0.116 0.000 2.587 167 S HA 0.181 4.651 4.470 -0.000 0.000 0.260 167 S C 0.847 175.532 174.600 0.141 0.000 1.353 167 S CA 0.267 58.541 58.200 0.123 0.000 0.995 167 S CB 0.948 64.255 63.200 0.179 0.000 0.912 167 S HN 0.912 nan 8.310 nan 0.000 0.568 168 T N -2.962 111.633 114.554 0.068 0.000 3.209 168 T HA 0.415 4.765 4.350 -0.000 0.000 0.295 168 T C -0.723 173.835 174.700 -0.236 0.000 0.977 168 T CA 0.006 62.102 62.100 -0.006 0.000 0.922 168 T CB -0.845 68.016 68.868 -0.011 0.000 1.152 168 T HN 0.893 nan 8.240 nan 0.000 0.527 169 D N -0.613 119.635 120.400 -0.253 0.000 2.665 169 D HA 0.276 4.916 4.640 -0.000 0.000 0.287 169 D C -0.468 175.739 176.300 -0.155 0.000 1.266 169 D CA -0.834 52.881 54.000 -0.474 0.000 0.830 169 D CB 0.826 41.495 40.800 -0.220 0.000 1.356 169 D HN -0.042 nan 8.370 nan 0.000 0.437 170 Q N -0.518 119.187 119.800 -0.158 0.000 2.211 170 Q HA 0.196 4.536 4.340 -0.000 0.000 0.301 170 Q C -0.425 175.409 176.000 -0.277 0.000 0.884 170 Q CA -0.315 55.377 55.803 -0.185 0.000 1.115 170 Q CB 0.261 28.850 28.738 -0.247 0.000 1.217 170 Q HN 0.393 nan 8.270 nan 0.000 0.451 171 D N -0.231 120.159 120.400 -0.018 0.000 2.137 171 D HA -0.010 4.630 4.640 -0.000 0.000 0.202 171 D C 1.038 177.516 176.300 0.297 0.000 0.970 171 D CA 0.995 55.039 54.000 0.072 0.000 0.837 171 D CB 0.245 41.081 40.800 0.059 0.000 0.981 171 D HN 0.522 nan 8.370 nan 0.000 0.475 172 C N -1.974 117.581 119.300 0.425 0.000 3.253 172 C HA 0.429 4.889 4.460 -0.000 0.000 0.361 172 C C -0.178 175.003 174.990 0.319 0.000 1.498 172 C CA -1.694 57.579 59.018 0.424 0.000 1.163 172 C CB 0.284 28.163 27.740 0.233 0.000 1.687 172 C HN 0.188 nan 8.230 nan 0.000 0.430 173 I N 2.298 122.948 120.570 0.133 0.000 2.752 173 I HA 0.046 4.216 4.170 -0.000 0.000 0.289 173 I C 0.604 176.738 176.117 0.028 0.000 1.197 173 I CA 0.562 61.890 61.300 0.046 0.000 1.432 173 I CB 0.354 38.346 38.000 -0.013 0.000 1.359 173 I HN 0.792 nan 8.210 nan 0.000 0.571 174 N N 7.353 126.053 118.700 0.001 0.000 3.127 174 N HA 0.174 4.914 4.740 -0.000 0.000 0.317 174 N C -1.238 174.177 175.510 -0.159 0.000 1.242 174 N CA -0.073 52.951 53.050 -0.043 0.000 1.203 174 N CB -0.379 38.096 38.487 -0.019 0.000 1.462 174 N HN 0.451 nan 8.380 nan 0.000 0.546 175 L N 0.367 121.481 121.223 -0.183 0.000 2.543 175 L HA 0.366 4.706 4.340 -0.000 0.000 0.265 175 L C -0.900 175.850 176.870 -0.200 0.000 0.945 175 L CA -0.603 54.053 54.840 -0.306 0.000 0.869 175 L CB 1.671 43.412 42.059 -0.531 0.000 1.294 175 L HN 0.198 nan 8.230 nan 0.000 0.405 176 Q N 3.104 122.818 119.800 -0.142 0.000 2.361 176 Q HA 0.116 4.455 4.340 -0.000 0.000 0.276 176 Q C 0.516 176.554 176.000 0.064 0.000 1.022 176 Q CA -0.052 55.734 55.803 -0.028 0.000 0.898 176 Q CB 0.536 29.260 28.738 -0.023 0.000 1.246 176 Q HN 0.629 nan 8.270 nan 0.000 0.410 177 N N 1.924 120.713 118.700 0.148 0.000 2.247 177 N HA -0.175 4.565 4.740 -0.000 0.000 0.189 177 N C 0.656 176.352 175.510 0.310 0.000 1.009 177 N CA 1.496 54.706 53.050 0.267 0.000 0.872 177 N CB 0.003 38.587 38.487 0.161 0.000 0.980 177 N HN 0.646 nan 8.380 nan 0.000 0.436 178 D N -1.263 119.256 120.400 0.199 0.000 2.402 178 D HA 0.030 4.670 4.640 -0.000 0.000 0.216 178 D C 0.511 176.915 176.300 0.174 0.000 1.128 178 D CA 0.061 54.167 54.000 0.178 0.000 0.833 178 D CB 0.166 41.030 40.800 0.108 0.000 0.971 178 D HN -0.067 nan 8.370 nan 0.000 0.503 179 K N -0.051 120.443 120.400 0.156 0.000 2.372 179 K HA 0.171 4.491 4.320 -0.000 0.000 0.200 179 K C 1.020 177.684 176.600 0.106 0.000 1.022 179 K CA -0.373 55.959 56.287 0.075 0.000 1.125 179 K CB -0.243 32.225 32.500 -0.052 0.000 0.855 179 K HN 0.101 nan 8.250 nan 0.000 0.524 180 F N 2.815 122.822 119.950 0.095 0.000 2.126 180 F HA -0.235 4.292 4.527 -0.000 0.000 0.299 180 F C 2.147 178.024 175.800 0.129 0.000 1.096 180 F CA 1.874 59.950 58.000 0.127 0.000 1.255 180 F CB -0.213 38.835 39.000 0.079 0.000 0.997 180 F HN 0.189 nan 8.300 nan 0.000 0.479 181 D N -0.332 120.239 120.400 0.286 0.000 2.162 181 D HA -0.143 4.496 4.640 -0.000 0.000 0.203 181 D C 1.313 177.727 176.300 0.190 0.000 0.967 181 D CA 1.417 55.531 54.000 0.191 0.000 0.840 181 D CB -0.977 39.908 40.800 0.142 0.000 0.972 181 D HN 0.241 nan 8.370 nan 0.000 0.482 182 D N 0.137 120.653 120.400 0.193 0.000 2.106 182 D HA -0.170 4.470 4.640 -0.000 0.000 0.191 182 D C 1.661 178.144 176.300 0.305 0.000 0.997 182 D CA 1.066 55.189 54.000 0.204 0.000 0.834 182 D CB -0.457 40.429 40.800 0.143 0.000 0.956 182 D HN 0.094 nan 8.370 nan 0.000 0.448 183 F N 1.497 121.494 119.950 0.079 0.000 2.095 183 F HA -0.142 4.385 4.527 -0.000 0.000 0.298 183 F C 2.236 178.157 175.800 0.202 0.000 1.104 183 F CA 1.274 59.340 58.000 0.110 0.000 1.232 183 F CB -0.898 38.087 39.000 -0.026 0.000 0.987 183 F HN -0.039 nan 8.300 nan 0.000 0.475 184 A N 0.386 123.267 122.820 0.102 0.000 1.940 184 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 184 A C 2.429 180.044 177.584 0.053 0.000 1.176 184 A CA 1.687 53.708 52.037 -0.027 0.000 0.631 184 A CB -0.693 18.315 19.000 0.014 0.000 0.814 184 A HN 0.436 nan 8.150 nan 0.000 0.446 185 R N -2.065 118.527 120.500 0.153 0.000 2.115 185 R HA -0.071 4.269 4.340 -0.000 0.000 0.230 185 R C 1.982 178.442 176.300 0.266 0.000 1.111 185 R CA 1.366 57.572 56.100 0.177 0.000 0.976 185 R CB -0.439 29.975 30.300 0.191 0.000 0.870 185 R HN 0.636 nan 8.270 nan 0.000 0.445 186 F N 1.652 121.737 119.950 0.225 0.000 2.102 186 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 186 F C 1.804 177.777 175.800 0.287 0.000 1.105 186 F CA 1.415 59.620 58.000 0.341 0.000 1.239 186 F CB -0.400 38.809 39.000 0.348 0.000 0.991 186 F HN -0.124 nan 8.300 nan 0.000 0.474 187 L N -0.475 120.669 121.223 -0.132 0.000 2.017 187 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 187 L C 2.420 179.245 176.870 -0.075 0.000 1.073 187 L CA 1.215 55.912 54.840 -0.239 0.000 0.745 187 L CB -0.875 41.043 42.059 -0.235 0.000 0.894 187 L HN 0.041 nan 8.230 nan 0.000 0.432 188 V N -0.027 119.870 119.914 -0.029 0.000 2.358 188 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 188 V C 2.518 178.616 176.094 0.008 0.000 1.047 188 V CA 1.927 64.226 62.300 -0.003 0.000 1.035 188 V CB -0.480 31.341 31.823 -0.002 0.000 0.658 188 V HN 0.431 nan 8.190 nan 0.000 0.452 189 K N 0.254 120.665 120.400 0.018 0.000 2.097 189 K HA -0.153 4.167 4.320 -0.000 0.000 0.206 189 K C 2.299 178.907 176.600 0.014 0.000 1.049 189 K CA 1.737 58.014 56.287 -0.017 0.000 0.933 189 K CB -0.230 32.230 32.500 -0.066 0.000 0.717 189 K HN 0.429 nan 8.250 nan 0.000 0.442 190 S N 0.729 116.485 115.700 0.094 0.000 2.353 190 S HA -0.191 4.279 4.470 -0.000 0.000 0.222 190 S C 2.099 176.951 174.600 0.419 0.000 1.035 190 S CA 1.284 59.655 58.200 0.285 0.000 1.025 190 S CB -0.526 62.812 63.200 0.231 0.000 0.902 190 S HN 0.551 nan 8.310 nan 0.000 0.440 191 A N 1.291 124.299 122.820 0.314 0.000 1.892 191 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 191 A C 2.156 179.768 177.584 0.048 0.000 1.188 191 A CA 2.073 54.189 52.037 0.133 0.000 0.631 191 A CB -0.866 18.116 19.000 -0.030 0.000 0.822 191 A HN 0.594 nan 8.150 nan 0.000 0.447 192 Q N -1.254 118.542 119.800 -0.008 0.000 2.050 192 Q HA -0.288 4.052 4.340 -0.000 0.000 0.202 192 Q C 1.979 177.882 176.000 -0.162 0.000 0.980 192 Q CA 2.162 57.917 55.803 -0.079 0.000 0.840 192 Q CB -0.369 28.320 28.738 -0.081 0.000 0.898 192 Q HN 0.858 nan 8.270 nan 0.000 0.424 193 H N -0.673 118.161 119.070 -0.394 0.000 2.321 193 H HA -0.203 4.353 4.556 -0.000 0.000 0.295 193 H C 1.328 176.279 175.328 -0.628 0.000 1.102 193 H CA 2.561 58.156 56.048 -0.756 0.000 1.266 193 H CB -0.371 28.414 29.762 -1.628 0.000 1.363 193 H HN 0.366 nan 8.280 nan 0.000 0.492 194 F N -0.169 119.637 119.950 -0.240 0.000 2.456 194 F HA 0.097 4.624 4.527 -0.000 0.000 0.298 194 F C 2.590 178.346 175.800 -0.073 0.000 1.104 194 F CA 0.559 58.490 58.000 -0.114 0.000 1.435 194 F CB -0.051 38.969 39.000 0.033 0.000 1.078 194 F HN 0.052 nan 8.300 nan 0.000 0.546 195 R N 0.430 120.931 120.500 0.003 0.000 2.092 195 R HA -0.141 4.199 4.340 -0.000 0.000 0.231 195 R C 1.849 178.068 176.300 -0.134 0.000 1.119 195 R CA 1.398 57.468 56.100 -0.050 0.000 0.970 195 R CB -0.419 29.849 30.300 -0.054 0.000 0.864 195 R HN 0.351 nan 8.270 nan 0.000 0.440 196 E N 0.628 120.702 120.200 -0.210 0.000 2.204 196 E HA -0.175 4.175 4.350 -0.000 0.000 0.194 196 E C 1.581 178.018 176.600 -0.273 0.000 0.989 196 E CA 0.880 57.132 56.400 -0.246 0.000 0.824 196 E CB 0.155 29.680 29.700 -0.291 0.000 0.756 196 E HN 0.391 nan 8.360 nan 0.000 0.477 197 Q N -0.938 118.681 119.800 -0.301 0.000 2.403 197 Q HA 0.089 4.429 4.340 -0.000 0.000 0.203 197 Q C 0.853 176.603 176.000 -0.418 0.000 0.932 197 Q CA 0.453 56.079 55.803 -0.295 0.000 0.945 197 Q CB 0.978 29.615 28.738 -0.168 0.000 1.045 197 Q HN 0.369 nan 8.270 nan 0.000 0.511 198 G N 0.788 109.372 108.800 -0.360 0.000 2.141 198 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.231 198 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.231 198 G C -0.234 174.294 174.900 -0.619 0.000 0.984 198 G CA -0.508 44.315 45.100 -0.461 0.000 0.660 198 G HN 0.283 nan 8.290 nan 0.000 0.525 199 F N 1.315 121.130 119.950 -0.225 0.000 2.424 199 F HA 0.460 4.987 4.527 -0.000 0.000 0.356 199 F C 1.222 176.941 175.800 -0.135 0.000 1.110 199 F CA -0.582 57.317 58.000 -0.169 0.000 1.161 199 F CB 0.557 39.447 39.000 -0.184 0.000 1.115 199 F HN 0.141 nan 8.300 nan 0.000 0.507 200 H N 2.533 121.783 119.070 0.300 0.000 3.224 200 H HA 0.220 4.776 4.556 -0.000 0.000 0.265 200 H C -0.446 174.963 175.328 0.134 0.000 1.461 200 H CA -0.569 55.555 56.048 0.127 0.000 1.509 200 H CB 0.003 29.789 29.762 0.039 0.000 1.686 200 H HN 0.287 nan 8.280 nan 0.000 0.514 201 V N 3.683 123.634 119.914 0.061 0.000 2.370 201 V HA -0.043 4.077 4.120 -0.000 0.000 0.257 201 V C 0.732 176.709 176.094 -0.194 0.000 1.064 201 V CA -0.157 62.033 62.300 -0.183 0.000 0.975 201 V CB 0.434 31.880 31.823 -0.627 0.000 1.067 201 V HN 0.823 nan 8.190 nan 0.000 0.485 202 N N 3.259 121.828 118.700 -0.217 0.000 2.356 202 N HA 0.132 4.872 4.740 -0.000 0.000 0.178 202 N C -0.472 174.560 175.510 -0.796 0.000 1.075 202 N CA 0.546 53.266 53.050 -0.550 0.000 0.889 202 N CB 0.583 38.604 38.487 -0.778 0.000 0.999 202 N HN 0.661 nan 8.380 nan 0.000 0.464 203 Y N -0.320 119.922 120.300 -0.097 0.000 2.504 203 Y HA 0.550 5.099 4.550 -0.000 0.000 0.344 203 Y C -0.553 175.351 175.900 0.007 0.000 1.023 203 Y CA -0.811 57.240 58.100 -0.081 0.000 1.020 203 Y CB 1.995 40.413 38.460 -0.071 0.000 1.282 203 Y HN -0.292 nan 8.280 nan 0.000 0.454 204 I N 1.962 122.637 120.570 0.174 0.000 2.447 204 I HA 0.337 4.507 4.170 -0.000 0.000 0.287 204 I C -0.628 175.581 176.117 0.152 0.000 1.023 204 I CA -0.598 60.801 61.300 0.164 0.000 1.083 204 I CB 2.058 40.102 38.000 0.072 0.000 1.245 204 I HN 0.557 nan 8.210 nan 0.000 0.434 205 S N 8.066 123.884 115.700 0.197 0.000 2.532 205 S HA 0.421 4.891 4.470 -0.000 0.000 0.318 205 S C -1.570 173.123 174.600 0.155 0.000 1.083 205 S CA -1.602 56.699 58.200 0.167 0.000 1.131 205 S CB 0.820 64.137 63.200 0.194 0.000 0.973 205 S HN 0.422 nan 8.310 nan 0.000 0.468 206 P HA 0.039 nan 4.420 nan 0.000 0.222 206 P C -0.502 176.891 177.300 0.154 0.000 1.153 206 P CA 0.659 63.784 63.100 0.041 0.000 0.798 206 P CB -0.023 31.651 31.700 -0.044 0.000 0.796 207 N N -0.520 118.253 118.700 0.121 0.000 2.249 207 N HA 0.320 5.060 4.740 -0.000 0.000 0.296 207 N C -1.098 174.458 175.510 0.076 0.000 1.051 207 N CA -0.557 52.548 53.050 0.092 0.000 0.815 207 N CB 1.028 39.545 38.487 0.050 0.000 1.487 207 N HN -0.181 nan 8.380 nan 0.000 0.475 208 N N 0.641 119.367 118.700 0.043 0.000 2.362 208 N HA 0.201 4.941 4.740 -0.000 0.000 0.298 208 N C -1.075 174.469 175.510 0.057 0.000 1.048 208 N CA -0.429 52.650 53.050 0.049 0.000 0.858 208 N CB 0.878 39.387 38.487 0.037 0.000 1.218 208 N HN 0.486 nan 8.380 nan 0.000 0.488 209 E N 1.440 121.688 120.200 0.080 0.000 2.103 209 E HA -0.184 4.165 4.350 -0.000 0.000 0.186 209 E C -1.647 175.120 176.600 0.278 0.000 1.392 209 E CA 0.076 56.580 56.400 0.173 0.000 0.691 209 E CB -0.646 29.299 29.700 0.408 0.000 1.068 209 E HN 0.633 nan 8.360 nan 0.000 0.328 210 P HA -0.206 nan 4.420 nan 0.000 0.228 210 P C 0.931 178.217 177.300 -0.024 0.000 1.151 210 P CA 1.111 64.209 63.100 -0.004 0.000 0.770 210 P CB -0.025 31.595 31.700 -0.133 0.000 0.786 211 N N 0.126 118.771 118.700 -0.092 0.000 2.381 211 N HA -0.066 4.674 4.740 -0.000 0.000 0.182 211 N C 1.136 176.665 175.510 0.033 0.000 1.025 211 N CA 0.468 53.398 53.050 -0.199 0.000 0.888 211 N CB -0.972 36.910 38.487 -1.008 0.000 0.965 211 N HN 0.004 nan 8.380 nan 0.000 0.438 212 G N 0.657 109.502 108.800 0.075 0.000 2.491 212 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.242 212 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.242 212 G C -0.327 174.440 174.900 -0.220 0.000 1.266 212 G CA -0.473 44.448 45.100 -0.299 0.000 0.844 212 G HN 0.335 nan 8.290 nan 0.000 0.571 213 Q N 1.596 121.173 119.800 -0.372 0.000 3.184 213 Q HA 0.080 4.420 4.340 -0.000 0.000 0.288 213 Q C 0.402 176.202 176.000 -0.333 0.000 1.412 213 Q CA -0.527 55.104 55.803 -0.287 0.000 0.991 213 Q CB -0.113 28.435 28.738 -0.317 0.000 1.688 213 Q HN 0.756 nan 8.270 nan 0.000 0.554 214 W N 0.469 121.793 121.300 0.039 0.000 2.350 214 W HA -0.239 4.421 4.660 -0.000 0.000 0.289 214 W C 2.285 178.828 176.519 0.039 0.000 1.215 214 W CA 1.357 58.736 57.345 0.057 0.000 1.236 214 W CB -0.102 29.426 29.460 0.113 0.000 1.130 214 W HN 0.703 nan 8.180 nan 0.000 0.541 215 H N -0.904 118.292 119.070 0.210 0.000 2.489 215 H HA 0.037 4.593 4.556 -0.000 0.000 0.293 215 H C 1.804 177.182 175.328 0.082 0.000 1.066 215 H CA 1.409 57.535 56.048 0.131 0.000 1.305 215 H CB -0.603 29.206 29.762 0.079 0.000 1.386 215 H HN 0.154 nan 8.280 nan 0.000 0.551 216 A N 0.718 123.313 122.820 -0.376 0.000 2.235 216 A HA -0.028 4.292 4.320 -0.000 0.000 0.208 216 A C 0.780 178.329 177.584 -0.057 0.000 1.172 216 A CA 0.143 52.035 52.037 -0.242 0.000 0.786 216 A CB -0.221 18.575 19.000 -0.340 0.000 0.804 216 A HN 0.412 nan 8.150 nan 0.000 0.479 217 N N 0.024 118.754 118.700 0.050 0.000 2.491 217 N HA 0.170 4.910 4.740 -0.000 0.000 0.274 217 N C 0.180 175.821 175.510 0.219 0.000 1.023 217 N CA 0.458 53.597 53.050 0.149 0.000 0.902 217 N CB 1.645 40.258 38.487 0.211 0.000 1.267 217 N HN 0.069 nan 8.380 nan 0.000 0.503 218 S N 2.663 118.471 115.700 0.181 0.000 2.572 218 S HA 0.082 4.552 4.470 -0.000 0.000 0.228 218 S C 1.160 175.863 174.600 0.171 0.000 0.963 218 S CA -0.459 57.833 58.200 0.154 0.000 0.939 218 S CB -0.462 62.798 63.200 0.100 0.000 0.804 218 S HN 0.468 nan 8.310 nan 0.000 0.480 219 F N 3.197 123.183 119.950 0.060 0.000 2.456 219 F HA 0.241 4.768 4.527 -0.000 0.000 0.298 219 F C 0.779 176.558 175.800 -0.034 0.000 1.104 219 F CA 0.639 58.645 58.000 0.009 0.000 1.435 219 F CB 0.086 39.105 39.000 0.033 0.000 1.078 219 F HN 0.547 nan 8.300 nan 0.000 0.546 220 Q N -0.921 118.927 119.800 0.081 0.000 2.685 220 Q HA 0.286 4.626 4.340 -0.000 0.000 0.301 220 Q C -1.224 174.839 176.000 0.105 0.000 0.924 220 Q CA -1.056 54.764 55.803 0.029 0.000 0.755 220 Q CB 1.123 30.034 28.738 0.288 0.000 1.470 220 Q HN 0.164 nan 8.270 nan 0.000 0.434 221 E N -0.348 119.898 120.200 0.077 0.000 2.390 221 E HA 0.560 4.910 4.350 -0.000 0.000 0.261 221 E C -0.194 176.295 176.600 -0.185 0.000 1.076 221 E CA 0.346 56.742 56.400 -0.006 0.000 0.905 221 E CB 0.977 30.677 29.700 -0.000 0.000 0.984 221 E HN 0.746 nan 8.360 nan 0.000 0.427 222 G N 0.070 108.711 108.800 -0.266 0.000 2.368 222 G HA2 0.377 4.337 3.960 -0.000 0.000 0.293 222 G HA3 0.377 4.337 3.960 -0.000 0.000 0.293 222 G C -1.519 173.192 174.900 -0.314 0.000 1.467 222 G CA -0.517 44.179 45.100 -0.673 0.000 0.804 222 G HN 0.378 nan 8.290 nan 0.000 0.535 223 S N -0.710 114.752 115.700 -0.395 0.000 2.592 223 S HA 0.550 5.019 4.470 -0.000 0.000 0.275 223 S C -0.799 173.957 174.600 0.260 0.000 1.169 223 S CA -0.629 57.592 58.200 0.036 0.000 0.958 223 S CB 0.684 63.868 63.200 -0.027 0.000 1.095 223 S HN 1.547 nan 8.310 nan 0.000 0.471 224 F N 4.647 124.817 119.950 0.365 0.000 2.628 224 F HA 0.463 4.990 4.527 0.000 0.000 0.362 224 F C 0.186 176.070 175.800 0.141 0.000 1.148 224 F CA 1.086 59.243 58.000 0.262 0.000 1.352 224 F CB 0.341 39.463 39.000 0.202 0.000 1.081 224 F HN 0.760 nan 8.300 nan 0.000 0.605 225 A N 3.346 125.565 122.820 -1.002 0.000 2.574 225 A HA 0.574 4.894 4.320 -0.000 0.000 0.297 225 A C -0.406 176.590 177.584 -0.981 0.000 1.062 225 A CA -0.244 51.318 52.037 -0.791 0.000 0.686 225 A CB 0.717 19.551 19.000 -0.277 0.000 1.285 225 A HN 1.008 nan 8.150 nan 0.000 0.403 226 T N -0.678 113.540 114.554 -0.560 0.000 2.847 226 T HA 0.365 4.715 4.350 -0.000 0.000 0.279 226 T C 0.934 175.477 174.700 -0.262 0.000 0.984 226 T CA -0.138 61.777 62.100 -0.308 0.000 0.988 226 T CB 0.765 69.567 68.868 -0.110 0.000 1.040 226 T HN 0.604 nan 8.240 nan 0.000 0.528 227 K N 0.487 120.710 120.400 -0.295 0.000 2.103 227 K HA -0.084 4.236 4.320 -0.000 0.000 0.207 227 K C 2.565 178.775 176.600 -0.649 0.000 1.048 227 K CA 1.280 57.310 56.287 -0.428 0.000 0.930 227 K CB -0.614 31.614 32.500 -0.452 0.000 0.716 227 K HN 0.727 nan 8.250 nan 0.000 0.444 228 A N 2.074 124.436 122.820 -0.764 0.000 1.902 228 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 228 A C 1.624 179.138 177.584 -0.117 0.000 1.181 228 A CA 1.844 53.611 52.037 -0.449 0.000 0.623 228 A CB -0.386 18.495 19.000 -0.198 0.000 0.818 228 A HN 0.190 nan 8.150 nan 0.000 0.443 229 D N 0.365 120.728 120.400 -0.061 0.000 2.092 229 D HA -0.164 4.476 4.640 -0.000 0.000 0.193 229 D C 1.970 178.364 176.300 0.156 0.000 0.994 229 D CA 1.412 55.495 54.000 0.139 0.000 0.828 229 D CB -0.546 40.333 40.800 0.131 0.000 0.963 229 D HN 0.464 nan 8.370 nan 0.000 0.450 230 L N -0.267 120.973 121.223 0.028 0.000 2.042 230 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 230 L C 2.548 179.429 176.870 0.018 0.000 1.076 230 L CA 1.133 55.987 54.840 0.024 0.000 0.749 230 L CB -0.600 41.448 42.059 -0.018 0.000 0.893 230 L HN 0.066 nan 8.230 nan 0.000 0.432 231 Y N 0.940 121.183 120.300 -0.096 0.000 2.097 231 Y HA -0.275 4.275 4.550 -0.000 0.000 0.282 231 Y C 2.886 178.717 175.900 -0.115 0.000 1.152 231 Y CA 1.575 59.636 58.100 -0.064 0.000 1.136 231 Y CB -0.140 38.339 38.460 0.032 0.000 0.975 231 Y HN -0.043 nan 8.280 nan 0.000 0.498 232 R N -0.807 119.699 120.500 0.010 0.000 2.096 232 R HA -0.227 4.113 4.340 -0.000 0.000 0.240 232 R C 2.194 178.438 176.300 -0.094 0.000 1.139 232 R CA 1.828 57.822 56.100 -0.176 0.000 0.952 232 R CB -0.470 29.474 30.300 -0.593 0.000 0.854 232 R HN 0.385 nan 8.270 nan 0.000 0.436 233 M N 0.260 119.929 119.600 0.115 0.000 2.073 233 M HA -0.153 4.327 4.480 -0.000 0.000 0.258 233 M C 2.424 178.655 176.300 -0.116 0.000 1.070 233 M CA 1.527 56.908 55.300 0.135 0.000 1.103 233 M CB -0.888 31.810 32.600 0.163 0.000 1.321 233 M HN -0.024 nan 8.290 nan 0.000 0.405 234 V N -0.028 119.726 119.914 -0.266 0.000 2.295 234 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 234 V C 2.346 177.981 176.094 -0.765 0.000 1.049 234 V CA 2.198 64.222 62.300 -0.460 0.000 1.024 234 V CB -0.907 30.615 31.823 -0.501 0.000 0.648 234 V HN 0.530 nan 8.190 nan 0.000 0.447 235 E N 0.082 119.667 120.200 -1.026 0.000 2.049 235 E HA -0.281 4.069 4.350 -0.000 0.000 0.198 235 E C 2.236 178.600 176.600 -0.392 0.000 1.007 235 E CA 1.786 57.603 56.400 -0.971 0.000 0.809 235 E CB -0.098 29.227 29.700 -0.624 0.000 0.749 235 E HN 0.581 nan 8.360 nan 0.000 0.450 236 E N 0.524 120.595 120.200 -0.215 0.000 2.077 236 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 236 E C 2.378 178.936 176.600 -0.071 0.000 0.989 236 E CA 0.780 57.142 56.400 -0.063 0.000 0.800 236 E CB -0.343 29.394 29.700 0.061 0.000 0.746 236 E HN 0.411 nan 8.360 nan 0.000 0.452 237 L N 0.830 121.983 121.223 -0.117 0.000 2.083 237 L HA -0.230 4.110 4.340 -0.000 0.000 0.209 237 L C 2.353 179.167 176.870 -0.094 0.000 1.083 237 L CA 1.582 56.360 54.840 -0.103 0.000 0.752 237 L CB -0.325 41.661 42.059 -0.121 0.000 0.899 237 L HN 0.116 nan 8.230 nan 0.000 0.433 238 D N -0.084 120.225 120.400 -0.151 0.000 2.117 238 D HA -0.244 4.396 4.640 -0.000 0.000 0.197 238 D C 2.218 178.510 176.300 -0.013 0.000 0.987 238 D CA 1.279 55.233 54.000 -0.078 0.000 0.829 238 D CB 0.118 40.865 40.800 -0.089 0.000 0.961 238 D HN 0.043 nan 8.370 nan 0.000 0.460 239 K N -0.283 120.107 120.400 -0.017 0.000 2.009 239 K HA -0.167 4.153 4.320 -0.000 0.000 0.210 239 K C 2.052 178.659 176.600 0.012 0.000 1.049 239 K CA 1.430 57.726 56.287 0.015 0.000 0.929 239 K CB -0.259 32.252 32.500 0.020 0.000 0.714 239 K HN 0.184 nan 8.250 nan 0.000 0.440 240 A N 0.740 123.562 122.820 0.003 0.000 1.930 240 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 240 A C 2.057 179.642 177.584 0.001 0.000 1.175 240 A CA 1.251 53.295 52.037 0.011 0.000 0.627 240 A CB -0.467 18.544 19.000 0.017 0.000 0.815 240 A HN 0.334 nan 8.150 nan 0.000 0.443 241 I N -0.378 120.185 120.570 -0.011 0.000 2.179 241 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 241 I C 2.729 178.841 176.117 -0.009 0.000 1.088 241 I CA 1.463 62.754 61.300 -0.016 0.000 1.357 241 I CB -0.216 37.770 38.000 -0.024 0.000 1.051 241 I HN 0.222 nan 8.210 nan 0.000 0.409 242 S N 0.030 115.731 115.700 0.002 0.000 2.356 242 S HA -0.246 4.224 4.470 -0.000 0.000 0.223 242 S C 1.921 176.525 174.600 0.006 0.000 1.032 242 S CA 1.444 59.649 58.200 0.008 0.000 1.005 242 S CB -0.314 62.899 63.200 0.021 0.000 0.867 242 S HN 0.403 nan 8.310 nan 0.000 0.449 243 E N 0.867 121.074 120.200 0.010 0.000 2.049 243 E HA -0.185 4.165 4.350 -0.000 0.000 0.198 243 E C 2.107 178.709 176.600 0.003 0.000 1.007 243 E CA 1.282 57.689 56.400 0.011 0.000 0.809 243 E CB -0.225 29.487 29.700 0.019 0.000 0.749 243 E HN 0.511 nan 8.360 nan 0.000 0.450 244 A N -0.094 122.725 122.820 -0.002 0.000 2.119 244 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 244 A C 0.657 178.229 177.584 -0.020 0.000 1.152 244 A CA 0.697 52.727 52.037 -0.012 0.000 0.708 244 A CB -0.099 18.892 19.000 -0.016 0.000 0.805 244 A HN 0.350 nan 8.150 nan 0.000 0.460 245 Q N -1.083 118.707 119.800 -0.016 0.000 2.463 245 Q HA -0.191 4.149 4.340 -0.000 0.000 0.299 245 Q C -0.309 175.673 176.000 -0.030 0.000 1.353 245 Q CA 0.821 56.612 55.803 -0.020 0.000 0.828 245 Q CB -1.783 26.944 28.738 -0.018 0.000 1.157 245 Q HN 0.924 nan 8.270 nan 0.000 0.436 246 I N -3.685 116.864 120.570 -0.036 0.000 2.577 246 I HA 0.507 4.677 4.170 -0.000 0.000 0.305 246 I C 0.223 176.305 176.117 -0.057 0.000 0.986 246 I CA -0.866 60.406 61.300 -0.048 0.000 1.189 246 I CB 1.472 39.440 38.000 -0.054 0.000 1.355 246 I HN -0.203 nan 8.210 nan 0.000 0.476 247 D N 3.708 124.066 120.400 -0.070 0.000 2.558 247 D HA 0.334 4.974 4.640 -0.000 0.000 0.221 247 D C -0.988 175.231 176.300 -0.136 0.000 1.143 247 D CA 0.227 54.172 54.000 -0.092 0.000 1.010 247 D CB 0.102 40.847 40.800 -0.092 0.000 1.068 247 D HN 0.719 nan 8.370 nan 0.000 0.511 248 T N 1.768 116.244 114.554 -0.129 0.000 2.956 248 T HA 0.416 4.766 4.350 -0.000 0.000 0.312 248 T C -0.367 174.258 174.700 -0.124 0.000 1.151 248 T CA -0.857 61.142 62.100 -0.168 0.000 1.024 248 T CB 2.087 70.877 68.868 -0.130 0.000 1.140 248 T HN 0.012 nan 8.240 nan 0.000 0.473 249 K N 1.481 121.794 120.400 -0.145 0.000 2.340 249 K HA 0.677 4.997 4.320 -0.000 0.000 0.244 249 K C -0.804 175.831 176.600 0.059 0.000 0.973 249 K CA -0.967 55.305 56.287 -0.026 0.000 0.828 249 K CB 2.236 34.738 32.500 0.003 0.000 1.226 249 K HN 0.444 nan 8.250 nan 0.000 0.437 250 I N 2.275 122.901 120.570 0.094 0.000 2.342 250 I HA 0.221 4.391 4.170 -0.000 0.000 0.291 250 I C -0.669 175.541 176.117 0.155 0.000 1.010 250 I CA -0.752 60.600 61.300 0.087 0.000 1.308 250 I CB 0.749 38.755 38.000 0.009 0.000 1.400 250 I HN 0.243 nan 8.210 nan 0.000 0.488 251 L N 8.969 130.273 121.223 0.135 0.000 2.319 251 L HA 0.707 5.047 4.340 -0.000 0.000 0.281 251 L C -0.503 176.411 176.870 0.074 0.000 1.005 251 L CA -0.203 54.700 54.840 0.105 0.000 0.828 251 L CB 0.993 43.084 42.059 0.055 0.000 1.227 251 L HN 0.612 nan 8.230 nan 0.000 0.415 252 I N 2.308 122.933 120.570 0.092 0.000 3.322 252 I HA 0.724 4.894 4.170 -0.000 0.000 0.313 252 I C -2.238 173.943 176.117 0.107 0.000 1.129 252 I CA -1.768 59.593 61.300 0.101 0.000 0.963 252 I CB 2.268 40.338 38.000 0.116 0.000 1.273 252 I HN 0.369 nan 8.210 nan 0.000 0.473 253 P HA 0.109 nan 4.420 nan 0.000 0.267 253 P C -0.485 176.804 177.300 -0.019 0.000 1.289 253 P CA 0.267 63.398 63.100 0.052 0.000 0.866 253 P CB 0.179 31.921 31.700 0.069 0.000 1.309 254 E N -0.404 119.763 120.200 -0.055 0.000 2.328 254 E HA -0.134 4.216 4.350 -0.000 0.000 0.233 254 E C 0.482 176.826 176.600 -0.426 0.000 1.219 254 E CA 0.614 56.905 56.400 -0.181 0.000 0.717 254 E CB -2.307 27.381 29.700 -0.020 0.000 1.210 254 E HN 0.325 nan 8.360 nan 0.000 0.381 255 V N -2.876 116.876 119.914 -0.270 0.000 2.843 255 V HA 0.363 4.483 4.120 -0.000 0.000 0.305 255 V C 1.705 177.637 176.094 -0.270 0.000 1.065 255 V CA 0.638 62.816 62.300 -0.203 0.000 1.116 255 V CB 1.621 33.433 31.823 -0.018 0.000 0.968 255 V HN 0.178 nan 8.190 nan 0.000 0.487 256 G N 1.413 110.169 108.800 -0.074 0.000 2.683 256 G HA2 0.069 4.029 3.960 -0.000 0.000 0.213 256 G HA3 0.069 4.029 3.960 -0.000 0.000 0.213 256 G C 0.290 175.423 174.900 0.390 0.000 1.142 256 G CA 0.624 45.821 45.100 0.161 0.000 0.793 256 G HN 0.845 nan 8.290 nan 0.000 0.534 257 D N -0.850 119.785 120.400 0.392 0.000 2.863 257 D HA 0.288 4.928 4.640 -0.000 0.000 0.245 257 D C 1.276 177.808 176.300 0.387 0.000 1.211 257 D CA -0.617 53.672 54.000 0.480 0.000 0.888 257 D CB 1.678 42.832 40.800 0.589 0.000 1.483 257 D HN -0.109 nan 8.370 nan 0.000 0.533 258 M N 2.539 122.307 119.600 0.279 0.000 2.260 258 M HA -0.211 4.269 4.480 -0.000 0.000 0.261 258 M C 1.986 178.379 176.300 0.155 0.000 1.066 258 M CA 1.504 56.916 55.300 0.186 0.000 1.082 258 M CB -0.027 32.675 32.600 0.170 0.000 1.388 258 M HN 0.426 nan 8.290 nan 0.000 0.419 259 K N -0.478 120.037 120.400 0.191 0.000 2.281 259 K HA -0.197 4.123 4.320 -0.000 0.000 0.203 259 K C 1.118 177.695 176.600 -0.039 0.000 1.046 259 K CA 1.547 57.909 56.287 0.125 0.000 0.938 259 K CB -0.571 31.927 32.500 -0.003 0.000 0.737 259 K HN 0.327 nan 8.250 nan 0.000 0.458 260 Y N 1.388 121.730 120.300 0.070 0.000 2.571 260 Y HA 0.071 4.621 4.550 -0.000 0.000 0.294 260 Y C 1.723 177.580 175.900 -0.072 0.000 1.141 260 Y CA 0.437 58.557 58.100 0.034 0.000 1.308 260 Y CB 0.025 38.516 38.460 0.051 0.000 1.002 260 Y HN -0.023 nan 8.280 nan 0.000 0.551 261 L N -1.202 119.909 121.223 -0.187 0.000 2.465 261 L HA -0.054 4.286 4.340 -0.000 0.000 0.224 261 L C -0.328 176.142 176.870 -0.667 0.000 1.145 261 L CA 0.482 55.021 54.840 -0.502 0.000 0.834 261 L CB -0.220 41.337 42.059 -0.837 0.000 0.944 261 L HN 0.051 nan 8.230 nan 0.000 0.451 262 F N -1.323 118.675 119.950 0.079 0.000 2.594 262 F HA 0.349 4.875 4.527 -0.000 0.000 0.335 262 F C 0.524 176.348 175.800 0.041 0.000 1.058 262 F CA -1.561 56.476 58.000 0.062 0.000 0.981 262 F CB 0.721 39.735 39.000 0.023 0.000 1.289 262 F HN -0.277 nan 8.300 nan 0.000 0.490 263 E N 1.287 121.623 120.200 0.226 0.000 2.257 263 E HA 0.294 4.644 4.350 -0.000 0.000 0.278 263 E C 0.265 176.911 176.600 0.077 0.000 1.049 263 E CA 0.106 56.578 56.400 0.120 0.000 0.876 263 E CB 0.410 30.157 29.700 0.077 0.000 1.035 263 E HN 0.671 nan 8.360 nan 0.000 0.419 264 I N 0.642 121.236 120.570 0.040 0.000 4.607 264 I HA 0.351 4.521 4.170 -0.000 0.000 0.324 264 I C -0.212 175.907 176.117 0.004 0.000 1.279 264 I CA -0.528 60.770 61.300 -0.004 0.000 1.286 264 I CB 0.593 38.540 38.000 -0.089 0.000 1.265 264 I HN 0.294 nan 8.210 nan 0.000 0.446 265 D N 0.105 120.524 120.400 0.031 0.000 2.599 265 D HA 0.274 4.914 4.640 -0.000 0.000 0.252 265 D C -0.061 176.272 176.300 0.054 0.000 1.232 265 D CA -0.425 53.598 54.000 0.039 0.000 0.819 265 D CB 1.506 42.333 40.800 0.044 0.000 1.401 265 D HN -0.137 nan 8.370 nan 0.000 0.429 266 S N -0.139 115.588 115.700 0.045 0.000 2.414 266 S HA 0.126 4.596 4.470 -0.000 0.000 0.227 266 S C 1.200 175.835 174.600 0.058 0.000 1.022 266 S CA 0.019 58.246 58.200 0.044 0.000 0.958 266 S CB -0.443 62.775 63.200 0.030 0.000 0.797 266 S HN 0.492 nan 8.310 nan 0.000 0.493 267 I N 2.370 122.979 120.570 0.065 0.000 2.662 267 I HA -0.015 4.155 4.170 -0.000 0.000 0.285 267 I C 1.488 177.668 176.117 0.104 0.000 1.161 267 I CA -0.445 60.899 61.300 0.074 0.000 1.415 267 I CB 0.599 38.641 38.000 0.070 0.000 1.385 267 I HN 0.157 nan 8.210 nan 0.000 0.552 268 A N 7.499 130.380 122.820 0.102 0.000 1.972 268 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 268 A C 2.263 179.943 177.584 0.159 0.000 1.169 268 A CA 1.579 53.692 52.037 0.125 0.000 0.635 268 A CB -0.388 18.680 19.000 0.112 0.000 0.810 268 A HN 0.895 nan 8.150 nan 0.000 0.446 269 K N -0.412 120.093 120.400 0.175 0.000 2.147 269 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 269 K C 0.132 176.935 176.600 0.339 0.000 1.049 269 K CA 1.364 57.807 56.287 0.259 0.000 0.936 269 K CB -1.036 31.644 32.500 0.300 0.000 0.722 269 K HN 0.226 nan 8.250 nan 0.000 0.446 270 T N 4.869 119.601 114.554 0.297 0.000 2.822 270 T HA 0.037 4.387 4.350 -0.000 0.000 0.288 270 T C -2.156 172.698 174.700 0.256 0.000 0.991 270 T CA -0.947 61.354 62.100 0.334 0.000 1.176 270 T CB 0.908 69.953 68.868 0.295 0.000 0.951 270 T HN 0.248 nan 8.240 nan 0.000 0.526 271 P HA 0.127 nan 4.420 nan 0.000 0.228 271 P C -0.246 177.185 177.300 0.218 0.000 1.748 271 P CA -0.332 62.825 63.100 0.095 0.000 0.909 271 P CB -0.200 31.462 31.700 -0.065 0.000 1.882 272 D N -1.003 119.579 120.400 0.303 0.000 2.511 272 D HA 0.084 4.724 4.640 -0.000 0.000 0.276 272 D C 0.435 176.855 176.300 0.200 0.000 1.220 272 D CA -0.496 53.694 54.000 0.317 0.000 1.077 272 D CB -0.310 40.636 40.800 0.244 0.000 1.126 272 D HN -0.147 nan 8.370 nan 0.000 0.583 273 D N -1.826 118.668 120.400 0.157 0.000 2.837 273 D HA -0.155 4.485 4.640 -0.000 0.000 0.230 273 D C 0.994 177.389 176.300 0.158 0.000 1.152 273 D CA 0.269 54.360 54.000 0.152 0.000 0.736 273 D CB -0.714 40.179 40.800 0.154 0.000 1.084 273 D HN 0.345 nan 8.370 nan 0.000 0.429 274 I N 0.203 120.849 120.570 0.126 0.000 2.163 274 I HA -0.257 3.913 4.170 -0.000 0.000 0.243 274 I C 2.637 178.909 176.117 0.257 0.000 1.085 274 I CA 1.102 62.511 61.300 0.182 0.000 1.347 274 I CB -0.882 37.211 38.000 0.154 0.000 1.044 274 I HN 0.340 nan 8.210 nan 0.000 0.408 275 I N -0.230 120.416 120.570 0.127 0.000 2.163 275 I HA -0.347 3.823 4.170 -0.000 0.000 0.243 275 I C 2.730 178.968 176.117 0.202 0.000 1.085 275 I CA 1.471 62.858 61.300 0.145 0.000 1.347 275 I CB -0.558 37.424 38.000 -0.030 0.000 1.044 275 I HN 0.308 nan 8.210 nan 0.000 0.408 276 H N -0.839 118.303 119.070 0.119 0.000 2.343 276 H HA -0.059 4.497 4.556 -0.000 0.000 0.303 276 H C 2.547 177.926 175.328 0.086 0.000 1.068 276 H CA 1.641 57.655 56.048 -0.056 0.000 1.359 276 H CB -0.141 29.464 29.762 -0.262 0.000 1.402 276 H HN 0.211 nan 8.280 nan 0.000 0.515 277 S N -0.102 115.733 115.700 0.226 0.000 2.419 277 S HA -0.064 4.406 4.470 -0.000 0.000 0.233 277 S C 1.902 176.618 174.600 0.195 0.000 1.016 277 S CA 1.109 59.428 58.200 0.198 0.000 0.974 277 S CB 0.050 63.396 63.200 0.244 0.000 0.786 277 S HN 0.298 nan 8.310 nan 0.000 0.492 278 M N -1.862 117.846 119.600 0.180 0.000 2.379 278 M HA 0.315 4.795 4.480 -0.000 0.000 0.268 278 M C 0.220 176.355 176.300 -0.274 0.000 1.185 278 M CA 0.278 55.571 55.300 -0.012 0.000 1.121 278 M CB 0.498 33.054 32.600 -0.074 0.000 1.608 278 M HN 0.209 nan 8.290 nan 0.000 0.569 279 F N -0.730 119.297 119.950 0.128 0.000 2.654 279 F HA 0.316 4.842 4.527 -0.000 0.000 0.303 279 F C -0.181 175.659 175.800 0.066 0.000 1.099 279 F CA -0.412 57.622 58.000 0.055 0.000 1.270 279 F CB 0.361 39.369 39.000 0.013 0.000 1.024 279 F HN -0.084 nan 8.300 nan 0.000 0.548 280 Y N 1.279 121.615 120.300 0.060 0.000 2.341 280 Y HA 0.178 4.728 4.550 -0.000 0.000 0.337 280 Y C 1.570 177.480 175.900 0.017 0.000 1.014 280 Y CA -1.112 57.017 58.100 0.047 0.000 1.111 280 Y CB 1.291 39.811 38.460 0.101 0.000 1.194 280 Y HN -0.026 nan 8.280 nan 0.000 0.462 281 K N 0.886 121.335 120.400 0.081 0.000 2.281 281 K HA -0.183 4.137 4.320 -0.000 0.000 0.203 281 K C 0.147 176.786 176.600 0.066 0.000 1.046 281 K CA 2.050 58.361 56.287 0.039 0.000 0.938 281 K CB 0.016 32.543 32.500 0.045 0.000 0.737 281 K HN 0.738 nan 8.250 nan 0.000 0.458 282 D N 0.467 120.941 120.400 0.124 0.000 2.388 282 D HA 0.082 4.722 4.640 -0.000 0.000 0.221 282 D C 0.445 176.788 176.300 0.072 0.000 1.133 282 D CA -0.317 53.736 54.000 0.087 0.000 0.831 282 D CB 0.009 40.871 40.800 0.103 0.000 0.962 282 D HN 0.245 nan 8.370 nan 0.000 0.502 283 G N 0.714 109.571 108.800 0.095 0.000 2.483 283 G HA2 0.038 3.998 3.960 -0.000 0.000 0.248 283 G HA3 0.038 3.998 3.960 -0.000 0.000 0.248 283 G C 0.658 175.530 174.900 -0.046 0.000 1.248 283 G CA -0.395 44.743 45.100 0.063 0.000 0.838 283 G HN 0.157 nan 8.290 nan 0.000 0.566 284 Q N 0.796 120.511 119.800 -0.141 0.000 2.096 284 Q HA -0.213 4.127 4.340 -0.000 0.000 0.208 284 Q C 0.484 176.149 176.000 -0.559 0.000 0.993 284 Q CA 1.784 57.345 55.803 -0.403 0.000 0.862 284 Q CB -0.141 28.257 28.738 -0.566 0.000 0.915 284 Q HN 0.732 nan 8.270 nan 0.000 0.416 285 Y N -0.136 120.126 120.300 -0.063 0.000 2.751 285 Y HA 0.313 4.863 4.550 -0.000 0.000 0.289 285 Y C 0.080 176.041 175.900 0.101 0.000 1.110 285 Y CA -0.466 57.586 58.100 -0.080 0.000 1.251 285 Y CB 0.461 38.908 38.460 -0.022 0.000 1.178 285 Y HN -0.069 nan 8.280 nan 0.000 0.540 286 S N 1.172 116.955 115.700 0.139 0.000 2.626 286 S HA 0.038 4.508 4.470 -0.000 0.000 0.303 286 S C 1.120 175.830 174.600 0.182 0.000 1.256 286 S CA 0.221 58.475 58.200 0.090 0.000 1.069 286 S CB 0.433 63.654 63.200 0.034 0.000 0.807 286 S HN 0.429 nan 8.310 nan 0.000 0.500 287 V N 4.732 124.647 119.914 0.001 0.000 3.578 287 V HA 0.248 4.368 4.120 -0.000 0.000 0.290 287 V C 1.608 177.705 176.094 0.005 0.000 1.376 287 V CA 0.208 62.577 62.300 0.116 0.000 1.083 287 V CB -0.729 31.071 31.823 -0.037 0.000 0.911 287 V HN 0.826 nan 8.190 nan 0.000 0.433 288 L N 1.318 122.448 121.223 -0.155 0.000 2.127 288 L HA -0.179 4.161 4.340 -0.000 0.000 0.211 288 L C 2.711 179.489 176.870 -0.152 0.000 1.089 288 L CA 2.393 57.101 54.840 -0.221 0.000 0.757 288 L CB -0.615 41.197 42.059 -0.411 0.000 0.899 288 L HN 0.493 nan 8.230 nan 0.000 0.434 289 K N -0.206 120.071 120.400 -0.205 0.000 2.280 289 K HA -0.117 4.203 4.320 -0.000 0.000 0.202 289 K C 0.296 176.715 176.600 -0.302 0.000 1.047 289 K CA 0.740 56.860 56.287 -0.278 0.000 0.942 289 K CB -0.472 31.783 32.500 -0.409 0.000 0.739 289 K HN -0.027 nan 8.250 nan 0.000 0.457 290 F N 3.004 122.920 119.950 -0.058 0.000 2.502 290 F HA 0.119 4.646 4.527 -0.000 0.000 0.371 290 F C 1.666 177.452 175.800 -0.024 0.000 1.083 290 F CA -0.561 57.405 58.000 -0.057 0.000 1.174 290 F CB 0.883 39.822 39.000 -0.102 0.000 1.096 290 F HN -0.040 nan 8.300 nan 0.000 0.545 291 K N 2.313 122.807 120.400 0.157 0.000 2.089 291 K HA -0.245 4.075 4.320 -0.000 0.000 0.210 291 K C 0.953 177.612 176.600 0.099 0.000 1.048 291 K CA 1.842 58.188 56.287 0.097 0.000 0.926 291 K CB 0.037 32.582 32.500 0.075 0.000 0.714 291 K HN 0.567 nan 8.250 nan 0.000 0.448 292 N N 0.708 119.473 118.700 0.109 0.000 2.235 292 N HA 0.016 4.756 4.740 -0.000 0.000 0.209 292 N C -0.347 175.215 175.510 0.086 0.000 1.122 292 N CA -0.118 52.974 53.050 0.069 0.000 0.845 292 N CB 0.272 38.778 38.487 0.032 0.000 1.004 292 N HN 0.112 nan 8.380 nan 0.000 0.499 293 L N 1.421 122.717 121.223 0.121 0.000 2.453 293 L HA 0.161 4.501 4.340 -0.000 0.000 0.272 293 L C -0.190 176.802 176.870 0.205 0.000 1.182 293 L CA -0.213 54.708 54.840 0.135 0.000 0.858 293 L CB 0.163 42.299 42.059 0.128 0.000 1.120 293 L HN -0.073 nan 8.230 nan 0.000 0.474 294 F N 5.116 125.080 119.950 0.024 0.000 2.466 294 F HA 0.208 4.735 4.527 -0.000 0.000 0.363 294 F C 0.646 176.447 175.800 0.000 0.000 1.109 294 F CA -0.896 57.101 58.000 -0.005 0.000 1.161 294 F CB -0.308 38.662 39.000 -0.049 0.000 1.117 294 F HN 0.652 nan 8.300 nan 0.000 0.539 295 N N 6.040 124.684 118.700 -0.092 0.000 2.814 295 N HA 0.084 4.824 4.740 -0.000 0.000 0.304 295 N C -1.207 173.997 175.510 -0.510 0.000 1.211 295 N CA 0.310 53.273 53.050 -0.146 0.000 1.158 295 N CB -0.497 37.999 38.487 0.015 0.000 1.458 295 N HN 0.599 nan 8.380 nan 0.000 0.519 296 C N 1.655 120.565 119.300 -0.651 0.000 3.241 296 C HA 0.542 5.002 4.460 -0.000 0.000 0.348 296 C C -1.254 173.294 174.990 -0.737 0.000 1.180 296 C CA -0.707 57.773 59.018 -0.896 0.000 1.273 296 C CB 0.578 27.213 27.740 -1.842 0.000 1.620 296 C HN 0.172 nan 8.230 nan 0.000 0.510 297 V N 4.292 123.795 119.914 -0.685 0.000 2.398 297 V HA 0.768 4.888 4.120 -0.000 0.000 0.286 297 V C 0.637 176.494 176.094 -0.394 0.000 1.026 297 V CA -0.005 61.920 62.300 -0.625 0.000 0.868 297 V CB 1.389 32.846 31.823 -0.609 0.000 0.982 297 V HN 1.198 nan 8.190 nan 0.000 0.443 298 A N 4.093 126.747 122.820 -0.275 0.000 2.276 298 A HA 0.958 5.278 4.320 -0.000 0.000 0.316 298 A C 0.008 177.531 177.584 -0.102 0.000 1.229 298 A CA -0.023 51.881 52.037 -0.221 0.000 0.851 298 A CB 1.084 20.027 19.000 -0.095 0.000 1.165 298 A HN 1.401 nan 8.150 nan 0.000 0.513 299 A N 2.278 125.054 122.820 -0.073 0.000 2.569 299 A HA 0.776 5.096 4.320 -0.000 0.000 0.290 299 A C -0.798 176.896 177.584 0.184 0.000 1.136 299 A CA -0.658 51.424 52.037 0.075 0.000 0.710 299 A CB 0.824 19.973 19.000 0.247 0.000 1.303 299 A HN 0.952 nan 8.150 nan 0.000 0.413 300 H N -0.069 119.023 119.070 0.036 0.000 2.533 300 H HA 0.287 4.843 4.556 -0.000 0.000 0.343 300 H C -0.433 174.863 175.328 -0.053 0.000 1.160 300 H CA -0.897 55.109 56.048 -0.070 0.000 1.218 300 H CB 1.737 31.531 29.762 0.053 0.000 1.566 300 H HN 0.670 nan 8.280 nan 0.000 0.522 301 D N 1.514 121.847 120.400 -0.112 0.000 2.349 301 D HA -0.061 4.579 4.640 -0.000 0.000 0.224 301 D C -0.122 176.165 176.300 -0.021 0.000 1.029 301 D CA 0.513 54.456 54.000 -0.096 0.000 0.879 301 D CB 0.203 40.820 40.800 -0.304 0.000 0.906 301 D HN 0.384 nan 8.370 nan 0.000 0.528 302 Y N -0.129 120.255 120.300 0.139 0.000 2.805 302 Y HA -0.118 4.432 4.550 -0.000 0.000 0.337 302 Y C 0.783 176.637 175.900 -0.076 0.000 1.252 302 Y CA 0.040 58.039 58.100 -0.168 0.000 1.515 302 Y CB -0.184 38.004 38.460 -0.454 0.000 1.305 302 Y HN 0.098 nan 8.280 nan 0.000 0.600 303 W N -0.756 120.795 121.300 0.417 0.000 2.612 303 W HA -0.333 4.327 4.660 0.000 0.000 0.266 303 W C 1.219 177.874 176.519 0.227 0.000 1.034 303 W CA 0.737 58.256 57.345 0.290 0.000 0.531 303 W CB -1.907 27.692 29.460 0.233 0.000 2.052 303 W HN 0.516 nan 8.180 nan 0.000 1.427 304 S N -1.417 114.465 115.700 0.302 0.000 2.663 304 S HA 0.679 5.149 4.470 -0.000 0.000 0.243 304 S C 0.929 175.593 174.600 0.106 0.000 1.009 304 S CA 0.030 58.349 58.200 0.199 0.000 0.988 304 S CB 0.732 64.031 63.200 0.165 0.000 0.896 304 S HN 0.470 nan 8.310 nan 0.000 0.502 305 A N 0.469 123.367 122.820 0.129 0.000 2.348 305 A HA 0.566 4.886 4.320 -0.000 0.000 0.224 305 A C -0.012 177.623 177.584 0.086 0.000 1.227 305 A CA -0.159 51.874 52.037 -0.007 0.000 0.885 305 A CB 0.013 18.942 19.000 -0.119 0.000 0.933 305 A HN 0.768 nan 8.150 nan 0.000 0.506 306 Y N 0.083 120.442 120.300 0.098 0.000 2.521 306 Y HA 0.501 5.051 4.550 -0.000 0.000 0.328 306 Y C -2.893 173.094 175.900 0.144 0.000 1.151 306 Y CA -1.941 56.243 58.100 0.140 0.000 1.054 306 Y CB 1.707 40.359 38.460 0.321 0.000 1.338 306 Y HN 0.061 nan 8.280 nan 0.000 0.453 307 P HA 0.346 nan 4.420 nan 0.000 0.293 307 P C 0.035 177.156 177.300 -0.299 0.000 1.304 307 P CA 0.206 62.825 63.100 -0.802 0.000 0.767 307 P CB 0.991 32.237 31.700 -0.757 0.000 1.247 308 A N -0.066 122.605 122.820 -0.249 0.000 2.019 308 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 308 A C 2.003 179.515 177.584 -0.120 0.000 1.164 308 A CA 2.383 54.324 52.037 -0.160 0.000 0.644 308 A CB -1.952 16.960 19.000 -0.146 0.000 0.805 308 A HN 0.728 nan 8.150 nan 0.000 0.449 309 T N -1.334 113.151 114.554 -0.116 0.000 2.701 309 T HA -0.147 4.203 4.350 -0.000 0.000 0.263 309 T C 1.803 176.463 174.700 -0.067 0.000 1.040 309 T CA 1.360 63.411 62.100 -0.082 0.000 1.147 309 T CB -0.657 68.166 68.868 -0.074 0.000 0.865 309 T HN 0.245 nan 8.240 nan 0.000 0.426 310 L N 1.416 122.602 121.223 -0.062 0.000 1.989 310 L HA 0.046 4.386 4.340 -0.000 0.000 0.211 310 L C 2.436 179.292 176.870 -0.024 0.000 1.071 310 L CA 1.709 56.533 54.840 -0.027 0.000 0.749 310 L CB -1.310 40.753 42.059 0.005 0.000 0.890 310 L HN 0.333 nan 8.230 nan 0.000 0.431 311 L N -0.678 120.519 121.223 -0.043 0.000 2.010 311 L HA -0.240 4.100 4.340 -0.000 0.000 0.219 311 L C 2.509 179.346 176.870 -0.056 0.000 1.077 311 L CA 2.754 57.560 54.840 -0.056 0.000 0.773 311 L CB -0.809 41.187 42.059 -0.104 0.000 0.892 311 L HN 0.372 nan 8.230 nan 0.000 0.436 312 V N -3.782 116.094 119.914 -0.063 0.000 2.488 312 V HA -0.116 4.004 4.120 -0.000 0.000 0.246 312 V C 2.110 178.176 176.094 -0.047 0.000 1.046 312 V CA 1.586 63.854 62.300 -0.054 0.000 1.053 312 V CB -1.038 30.753 31.823 -0.053 0.000 0.679 312 V HN 0.409 nan 8.190 nan 0.000 0.458 313 D N 0.724 121.095 120.400 -0.049 0.000 2.084 313 D HA -0.129 4.511 4.640 -0.000 0.000 0.194 313 D C 2.079 178.341 176.300 -0.063 0.000 0.990 313 D CA 2.102 56.067 54.000 -0.058 0.000 0.826 313 D CB -0.260 40.502 40.800 -0.064 0.000 0.971 313 D HN 0.547 nan 8.370 nan 0.000 0.453 314 I N 0.457 121.006 120.570 -0.036 0.000 2.286 314 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 314 I C 2.247 178.380 176.117 0.027 0.000 1.115 314 I CA 1.176 62.480 61.300 0.006 0.000 1.392 314 I CB 0.173 38.223 38.000 0.082 0.000 1.065 314 I HN -0.119 nan 8.210 nan 0.000 0.418 315 R N 0.252 120.743 120.500 -0.014 0.000 2.090 315 R HA -0.074 4.266 4.340 -0.000 0.000 0.228 315 R C 2.100 178.376 176.300 -0.040 0.000 1.110 315 R CA 1.220 57.289 56.100 -0.052 0.000 0.973 315 R CB -0.322 29.941 30.300 -0.061 0.000 0.869 315 R HN 0.413 nan 8.270 nan 0.000 0.440 316 N N 0.755 119.438 118.700 -0.028 0.000 2.120 316 N HA -0.187 4.553 4.740 -0.000 0.000 0.188 316 N C 1.696 177.216 175.510 0.016 0.000 1.024 316 N CA 1.081 54.131 53.050 -0.000 0.000 0.852 316 N CB -0.158 38.320 38.487 -0.016 0.000 1.003 316 N HN 0.207 nan 8.380 nan 0.000 0.424 317 R N 0.945 121.424 120.500 -0.035 0.000 2.096 317 R HA 0.004 4.344 4.340 -0.000 0.000 0.235 317 R C 2.252 178.621 176.300 0.115 0.000 1.127 317 R CA 0.704 56.753 56.100 -0.085 0.000 0.968 317 R CB -0.198 29.872 30.300 -0.385 0.000 0.861 317 R HN 0.177 nan 8.270 nan 0.000 0.440 318 I N -0.228 120.472 120.570 0.218 0.000 2.118 318 I HA -0.360 3.810 4.170 -0.000 0.000 0.241 318 I C 2.469 178.618 176.117 0.054 0.000 1.070 318 I CA 1.884 63.261 61.300 0.128 0.000 1.327 318 I CB -0.572 37.262 38.000 -0.277 0.000 1.034 318 I HN 0.341 nan 8.210 nan 0.000 0.405 319 H N 1.353 120.384 119.070 -0.065 0.000 2.290 319 H HA -0.197 4.359 4.556 -0.000 0.000 0.298 319 H C 2.217 177.555 175.328 0.016 0.000 1.087 319 H CA 2.064 58.090 56.048 -0.036 0.000 1.291 319 H CB -0.142 29.593 29.762 -0.045 0.000 1.369 319 H HN 0.084 nan 8.280 nan 0.000 0.492 320 K N -0.072 120.301 120.400 -0.045 0.000 2.013 320 K HA -0.250 4.070 4.320 -0.000 0.000 0.225 320 K C 2.098 178.692 176.600 -0.010 0.000 1.056 320 K CA 2.287 58.539 56.287 -0.059 0.000 0.971 320 K CB -0.067 32.431 32.500 -0.002 0.000 0.731 320 K HN 0.372 nan 8.250 nan 0.000 0.450 321 E N 0.472 120.732 120.200 0.099 0.000 2.110 321 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 321 E C 2.024 178.707 176.600 0.138 0.000 0.988 321 E CA 0.804 57.314 56.400 0.184 0.000 0.804 321 E CB -0.265 29.622 29.700 0.312 0.000 0.745 321 E HN 0.257 nan 8.360 nan 0.000 0.458 322 L N 1.308 122.562 121.223 0.051 0.000 2.131 322 L HA -0.056 4.284 4.340 -0.000 0.000 0.206 322 L C 2.264 179.102 176.870 -0.053 0.000 1.087 322 L CA 1.677 56.519 54.840 0.003 0.000 0.767 322 L CB -0.651 41.395 42.059 -0.022 0.000 0.917 322 L HN 0.065 nan 8.230 nan 0.000 0.441 323 S N -0.905 114.726 115.700 -0.115 0.000 2.474 323 S HA 0.006 4.476 4.470 -0.000 0.000 0.235 323 S C 1.800 176.341 174.600 -0.099 0.000 0.997 323 S CA 0.558 58.674 58.200 -0.140 0.000 0.949 323 S CB -0.635 62.358 63.200 -0.345 0.000 0.766 323 S HN 0.381 nan 8.310 nan 0.000 0.517 324 A N 2.630 125.411 122.820 -0.064 0.000 2.259 324 A HA 0.133 4.453 4.320 -0.000 0.000 0.208 324 A C 1.683 179.192 177.584 -0.125 0.000 1.201 324 A CA 0.482 52.508 52.037 -0.017 0.000 0.824 324 A CB -0.606 18.453 19.000 0.099 0.000 0.838 324 A HN 0.708 nan 8.150 nan 0.000 0.485 325 N N -0.497 118.016 118.700 -0.312 0.000 2.383 325 N HA 0.133 4.873 4.740 -0.000 0.000 0.192 325 N C 1.075 176.419 175.510 -0.276 0.000 1.141 325 N CA 0.850 53.483 53.050 -0.696 0.000 0.851 325 N CB -0.516 37.446 38.487 -0.875 0.000 0.976 325 N HN 0.566 nan 8.380 nan 0.000 0.465 326 G N -0.291 108.428 108.800 -0.134 0.000 2.175 326 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.265 326 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.265 326 G C 0.600 175.445 174.900 -0.092 0.000 0.979 326 G CA 0.957 46.010 45.100 -0.078 0.000 0.663 326 G HN 0.624 nan 8.290 nan 0.000 0.533 327 H N -0.702 118.305 119.070 -0.106 0.000 2.705 327 H HA 0.275 4.831 4.556 -0.000 0.000 0.269 327 H C 1.455 176.762 175.328 -0.036 0.000 0.998 327 H CA 0.473 56.482 56.048 -0.064 0.000 1.193 327 H CB 0.379 30.104 29.762 -0.062 0.000 1.485 327 H HN 0.335 nan 8.280 nan 0.000 0.521 328 N N 0.839 119.562 118.700 0.039 0.000 2.740 328 N HA -0.175 4.565 4.740 -0.000 0.000 0.248 328 N C -1.174 174.364 175.510 0.048 0.000 1.062 328 N CA 0.977 54.050 53.050 0.038 0.000 0.704 328 N CB -1.480 37.020 38.487 0.022 0.000 0.968 328 N HN 0.213 nan 8.380 nan 0.000 0.547 329 T N 1.435 116.010 114.554 0.036 0.000 2.794 329 T HA 0.190 4.540 4.350 -0.000 0.000 0.296 329 T C 0.798 175.466 174.700 -0.053 0.000 0.949 329 T CA -0.276 61.808 62.100 -0.027 0.000 1.101 329 T CB 0.993 69.837 68.868 -0.040 0.000 0.905 329 T HN 0.128 nan 8.240 nan 0.000 0.516 330 K N 1.684 122.002 120.400 -0.136 0.000 2.138 330 K HA 0.440 4.760 4.320 -0.000 0.000 0.251 330 K C -0.574 175.991 176.600 -0.059 0.000 1.015 330 K CA -0.445 55.794 56.287 -0.081 0.000 0.917 330 K CB 0.557 32.969 32.500 -0.146 0.000 1.021 330 K HN 0.483 nan 8.250 nan 0.000 0.485 331 F N 1.013 120.931 119.950 -0.053 0.000 2.532 331 F HA 0.407 4.934 4.527 -0.000 0.000 0.321 331 F C -1.639 174.274 175.800 0.188 0.000 1.089 331 F CA -0.723 57.254 58.000 -0.038 0.000 0.926 331 F CB 1.019 40.002 39.000 -0.028 0.000 1.168 331 F HN 0.374 nan 8.300 nan 0.000 0.459 332 W N 4.880 125.434 121.300 -1.243 0.000 2.683 332 W HA 0.693 5.352 4.660 -0.000 0.000 0.329 332 W C -0.898 174.845 176.519 -1.293 0.000 1.037 332 W CA -1.662 55.126 57.345 -0.929 0.000 1.232 332 W CB 1.642 30.772 29.460 -0.549 0.000 1.390 332 W HN 0.787 nan 8.180 nan 0.000 0.465 333 A N 2.303 124.715 122.820 -0.680 0.000 2.302 333 A HA 0.492 4.812 4.320 -0.000 0.000 0.295 333 A C 0.720 177.937 177.584 -0.612 0.000 1.235 333 A CA 0.042 51.764 52.037 -0.525 0.000 0.876 333 A CB 0.314 19.117 19.000 -0.329 0.000 1.133 333 A HN 0.649 nan 8.150 nan 0.000 0.533 334 S N 1.007 116.455 115.700 -0.421 0.000 2.701 334 S HA 0.367 4.837 4.470 -0.000 0.000 0.242 334 S C -0.050 174.243 174.600 -0.511 0.000 1.025 334 S CA 0.007 57.991 58.200 -0.361 0.000 1.016 334 S CB 0.065 63.212 63.200 -0.087 0.000 0.977 334 S HN 0.793 nan 8.310 nan 0.000 0.546 335 E N -0.378 119.399 120.200 -0.705 0.000 2.481 335 E HA 0.427 4.777 4.350 -0.000 0.000 0.301 335 E C -2.389 173.744 176.600 -0.779 0.000 0.948 335 E CA -0.536 55.385 56.400 -0.799 0.000 0.804 335 E CB 1.588 30.526 29.700 -1.270 0.000 1.265 335 E HN 0.319 nan 8.360 nan 0.000 0.406 336 Y N 3.354 123.203 120.300 -0.751 0.000 2.581 336 Y HA 0.659 5.209 4.550 -0.000 0.000 0.337 336 Y C -1.370 174.511 175.900 -0.032 0.000 1.108 336 Y CA -0.591 57.072 58.100 -0.728 0.000 1.033 336 Y CB 1.279 39.340 38.460 -0.665 0.000 1.318 336 Y HN 0.851 nan 8.280 nan 0.000 0.459 337 C N 3.615 122.427 119.300 -0.813 0.000 3.321 337 C HA 0.635 5.095 4.460 -0.000 0.000 0.329 337 C C -1.195 173.378 174.990 -0.694 0.000 1.394 337 C CA -1.283 57.586 59.018 -0.250 0.000 1.291 337 C CB 0.679 28.578 27.740 0.264 0.000 1.606 337 C HN 0.766 nan 8.230 nan 0.000 0.463 338 I N 2.692 123.172 120.570 -0.149 0.000 2.578 338 I HA 0.118 4.288 4.170 -0.000 0.000 0.286 338 I C 0.402 176.488 176.117 -0.050 0.000 1.126 338 I CA 0.325 61.600 61.300 -0.042 0.000 1.380 338 I CB 0.391 38.443 38.000 0.087 0.000 1.408 338 I HN 0.681 nan 8.210 nan 0.000 0.532 339 L N 5.702 126.870 121.223 -0.091 0.000 2.694 339 L HA 0.164 4.504 4.340 -0.000 0.000 0.228 339 L C 1.255 178.128 176.870 0.005 0.000 1.048 339 L CA 0.803 55.590 54.840 -0.089 0.000 0.887 339 L CB -0.158 41.739 42.059 -0.270 0.000 1.265 339 L HN 0.587 nan 8.230 nan 0.000 0.492 340 E N 1.002 121.203 120.200 0.003 0.000 2.371 340 E HA 0.152 4.502 4.350 -0.000 0.000 0.257 340 E C -0.779 175.883 176.600 0.104 0.000 1.134 340 E CA -0.331 56.195 56.400 0.210 0.000 0.919 340 E CB 1.057 30.931 29.700 0.291 0.000 1.025 340 E HN 0.078 nan 8.360 nan 0.000 0.438 341 K N 0.866 121.336 120.400 0.118 0.000 2.207 341 K HA 0.381 4.701 4.320 -0.000 0.000 0.255 341 K C -0.674 175.890 176.600 -0.060 0.000 0.941 341 K CA -0.585 55.708 56.287 0.010 0.000 0.825 341 K CB 1.178 33.696 32.500 0.031 0.000 1.119 341 K HN 0.746 nan 8.250 nan 0.000 0.430 342 N N -0.934 117.662 118.700 -0.174 0.000 3.261 342 N HA -0.031 4.709 4.740 -0.000 0.000 0.248 342 N C -0.033 175.353 175.510 -0.208 0.000 1.498 342 N CA -0.869 52.009 53.050 -0.287 0.000 0.884 342 N CB 0.409 38.394 38.487 -0.837 0.000 1.428 342 N HN 0.508 nan 8.380 nan 0.000 0.517 343 E N -0.674 119.437 120.200 -0.149 0.000 2.208 343 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 343 E C 0.514 177.099 176.600 -0.025 0.000 0.988 343 E CA 1.097 57.477 56.400 -0.034 0.000 0.828 343 E CB -0.207 29.523 29.700 0.050 0.000 0.763 343 E HN 0.681 nan 8.360 nan 0.000 0.478 344 E N 0.865 121.037 120.200 -0.046 0.000 2.152 344 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 344 E C 2.161 178.732 176.600 -0.049 0.000 0.983 344 E CA 1.488 57.910 56.400 0.037 0.000 0.818 344 E CB -0.095 29.738 29.700 0.222 0.000 0.758 344 E HN 0.653 nan 8.360 nan 0.000 0.467 345 I N -3.240 117.227 120.570 -0.172 0.000 4.403 345 I HA 0.184 4.354 4.170 -0.000 0.000 0.331 345 I C 0.168 176.210 176.117 -0.124 0.000 1.327 345 I CA -0.173 61.011 61.300 -0.192 0.000 1.175 345 I CB 1.027 38.779 38.000 -0.413 0.000 1.165 345 I HN -0.296 nan 8.210 nan 0.000 0.413 346 T N 4.132 118.623 114.554 -0.106 0.000 2.743 346 T HA 0.699 5.049 4.350 -0.000 0.000 0.292 346 T C -0.591 174.089 174.700 -0.034 0.000 0.972 346 T CA -0.053 62.009 62.100 -0.063 0.000 0.967 346 T CB 0.988 69.820 68.868 -0.060 0.000 0.926 346 T HN 0.324 nan 8.240 nan 0.000 0.459 347 M N 3.728 123.315 119.600 -0.021 0.000 2.751 347 M HA 0.292 4.772 4.480 -0.000 0.000 0.276 347 M C -2.857 173.441 176.300 -0.004 0.000 1.002 347 M CA -1.336 53.958 55.300 -0.011 0.000 0.828 347 M CB 1.697 34.289 32.600 -0.013 0.000 1.752 347 M HN 0.292 nan 8.290 nan 0.000 0.556 348 P HA 0.298 nan 4.420 nan 0.000 0.269 348 P C -1.115 176.188 177.300 0.006 0.000 1.215 348 P CA -0.260 62.842 63.100 0.004 0.000 0.780 348 P CB 0.503 32.206 31.700 0.005 0.000 0.898 349 A N 2.199 125.024 122.820 0.008 0.000 2.567 349 A HA 0.431 4.751 4.320 -0.000 0.000 0.240 349 A C 0.520 178.112 177.584 0.013 0.000 1.053 349 A CA 0.931 52.975 52.037 0.012 0.000 0.755 349 A CB -0.880 18.129 19.000 0.014 0.000 0.978 349 A HN 0.651 nan 8.150 nan 0.000 0.507 350 S N 1.480 117.189 115.700 0.015 0.000 2.595 350 S HA 0.618 5.087 4.470 -0.000 0.000 0.270 350 S C -2.762 171.850 174.600 0.020 0.000 1.145 350 S CA -0.699 57.510 58.200 0.015 0.000 0.825 350 S CB 1.083 64.290 63.200 0.011 0.000 1.107 350 S HN 0.197 nan 8.310 nan 0.000 0.461 351 P HA -0.049 nan 4.420 nan 0.000 0.216 351 P C 0.968 178.280 177.300 0.020 0.000 1.150 351 P CA 1.510 64.623 63.100 0.021 0.000 0.837 351 P CB -0.012 31.697 31.700 0.015 0.000 0.786 352 E N -0.634 119.574 120.200 0.013 0.000 2.058 352 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 352 E C 2.186 178.793 176.600 0.012 0.000 0.997 352 E CA 1.034 57.439 56.400 0.008 0.000 0.801 352 E CB -0.737 28.965 29.700 0.004 0.000 0.746 352 E HN 0.100 nan 8.360 nan 0.000 0.450 353 R N 0.523 121.031 120.500 0.014 0.000 2.092 353 R HA -0.062 4.278 4.340 -0.000 0.000 0.231 353 R C 2.108 178.427 176.300 0.032 0.000 1.119 353 R CA 1.514 57.623 56.100 0.015 0.000 0.970 353 R CB -0.236 30.070 30.300 0.010 0.000 0.864 353 R HN 0.144 nan 8.270 nan 0.000 0.440 354 S N 1.140 116.864 115.700 0.040 0.000 2.359 354 S HA -0.177 4.293 4.470 -0.000 0.000 0.224 354 S C 1.823 176.470 174.600 0.078 0.000 1.035 354 S CA 1.369 59.606 58.200 0.061 0.000 1.018 354 S CB -0.282 62.956 63.200 0.064 0.000 0.876 354 S HN 0.311 nan 8.310 nan 0.000 0.448 355 I N 2.650 123.257 120.570 0.061 0.000 2.353 355 I HA -0.106 4.064 4.170 -0.000 0.000 0.248 355 I C 1.593 177.746 176.117 0.061 0.000 1.119 355 I CA 1.089 62.428 61.300 0.064 0.000 1.417 355 I CB -0.514 37.508 38.000 0.036 0.000 1.078 355 I HN 0.076 nan 8.210 nan 0.000 0.421 356 N N 0.694 119.417 118.700 0.039 0.000 2.061 356 N HA -0.214 4.526 4.740 -0.000 0.000 0.193 356 N C 1.895 177.481 175.510 0.127 0.000 1.030 356 N CA 1.869 54.944 53.050 0.043 0.000 0.856 356 N CB -0.636 37.863 38.487 0.020 0.000 1.023 356 N HN 0.371 nan 8.380 nan 0.000 0.424 357 L N 0.052 121.346 121.223 0.119 0.000 2.046 357 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 357 L C 2.496 179.525 176.870 0.265 0.000 1.077 357 L CA 1.442 56.387 54.840 0.175 0.000 0.747 357 L CB -0.990 41.147 42.059 0.129 0.000 0.896 357 L HN 0.225 nan 8.230 nan 0.000 0.432 358 G N 0.314 109.243 108.800 0.214 0.000 2.491 358 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.218 358 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.218 358 G C 1.606 176.643 174.900 0.228 0.000 1.180 358 G CA 0.936 46.172 45.100 0.226 0.000 0.774 358 G HN 0.240 nan 8.290 nan 0.000 0.562 359 L N -1.218 120.126 121.223 0.202 0.000 2.027 359 L HA -0.030 4.310 4.340 -0.000 0.000 0.206 359 L C 2.566 179.668 176.870 0.387 0.000 1.074 359 L CA 1.251 56.230 54.840 0.233 0.000 0.745 359 L CB -0.620 41.478 42.059 0.064 0.000 0.898 359 L HN 0.277 nan 8.230 nan 0.000 0.433 360 Y N 0.452 120.916 120.300 0.274 0.000 2.114 360 Y HA -0.296 4.254 4.550 -0.000 0.000 0.282 360 Y C 2.415 178.401 175.900 0.144 0.000 1.165 360 Y CA 1.974 60.242 58.100 0.279 0.000 1.148 360 Y CB -0.245 38.353 38.460 0.230 0.000 0.972 360 Y HN -0.142 nan 8.280 nan 0.000 0.504 361 V N 0.125 120.226 119.914 0.313 0.000 2.427 361 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 361 V C 2.620 178.618 176.094 -0.161 0.000 1.051 361 V CA 1.581 63.926 62.300 0.075 0.000 1.048 361 V CB -1.464 30.502 31.823 0.238 0.000 0.666 361 V HN 0.571 nan 8.190 nan 0.000 0.456 362 A N 0.339 123.159 122.820 0.001 0.000 1.933 362 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 362 A C 2.400 179.953 177.584 -0.051 0.000 1.175 362 A CA 2.044 54.087 52.037 0.010 0.000 0.628 362 A CB -0.559 18.557 19.000 0.194 0.000 0.814 362 A HN 0.525 nan 8.150 nan 0.000 0.444 363 R N -0.143 120.329 120.500 -0.047 0.000 2.092 363 R HA -0.080 4.260 4.340 -0.000 0.000 0.231 363 R C 1.821 177.995 176.300 -0.210 0.000 1.119 363 R CA 1.671 57.695 56.100 -0.127 0.000 0.970 363 R CB -0.460 29.696 30.300 -0.240 0.000 0.864 363 R HN 0.517 nan 8.270 nan 0.000 0.440 364 I N 0.820 121.196 120.570 -0.323 0.000 2.127 364 I HA -0.327 3.843 4.170 -0.000 0.000 0.241 364 I C 2.285 178.178 176.117 -0.374 0.000 1.075 364 I CA 1.496 62.587 61.300 -0.348 0.000 1.334 364 I CB -0.300 37.433 38.000 -0.446 0.000 1.040 364 I HN 0.193 nan 8.210 nan 0.000 0.405 365 I N 0.095 120.254 120.570 -0.685 0.000 2.118 365 I HA -0.387 3.782 4.170 -0.000 0.000 0.241 365 I C 2.729 178.535 176.117 -0.519 0.000 1.070 365 I CA 2.107 62.843 61.300 -0.941 0.000 1.327 365 I CB -0.788 36.406 38.000 -1.344 0.000 1.034 365 I HN 0.340 nan 8.210 nan 0.000 0.405 366 H N 1.484 120.321 119.070 -0.388 0.000 2.319 366 H HA -0.173 4.383 4.556 -0.000 0.000 0.299 366 H C 2.131 177.398 175.328 -0.101 0.000 1.092 366 H CA 2.116 58.093 56.048 -0.118 0.000 1.302 366 H CB -0.043 29.738 29.762 0.031 0.000 1.373 366 H HN 0.225 nan 8.280 nan 0.000 0.497 367 N N 0.330 119.021 118.700 -0.015 0.000 2.166 367 N HA -0.143 4.597 4.740 -0.000 0.000 0.186 367 N C 1.227 176.675 175.510 -0.103 0.000 1.019 367 N CA 1.378 54.400 53.050 -0.048 0.000 0.856 367 N CB -0.188 38.280 38.487 -0.031 0.000 0.993 367 N HN 0.533 nan 8.380 nan 0.000 0.426 368 D N 0.846 121.197 120.400 -0.082 0.000 2.144 368 D HA -0.018 4.622 4.640 -0.000 0.000 0.200 368 D C 2.160 178.452 176.300 -0.013 0.000 0.978 368 D CA 0.377 54.386 54.000 0.015 0.000 0.833 368 D CB -0.050 40.851 40.800 0.168 0.000 0.961 368 D HN 0.242 nan 8.370 nan 0.000 0.470 369 L N 0.429 121.594 121.223 -0.097 0.000 2.109 369 L HA -0.085 4.255 4.340 -0.000 0.000 0.207 369 L C 2.480 179.272 176.870 -0.130 0.000 1.086 369 L CA 1.443 56.246 54.840 -0.062 0.000 0.760 369 L CB -0.292 41.767 42.059 -0.000 0.000 0.910 369 L HN 0.141 nan 8.230 nan 0.000 0.437 370 T N -3.896 110.496 114.554 -0.269 0.000 3.034 370 T HA 0.129 4.479 4.350 -0.000 0.000 0.248 370 T C 1.693 176.200 174.700 -0.321 0.000 1.040 370 T CA 0.075 61.964 62.100 -0.352 0.000 1.107 370 T CB 0.010 68.587 68.868 -0.485 0.000 0.932 370 T HN 0.105 nan 8.240 nan 0.000 0.474 371 L N 0.674 121.757 121.223 -0.233 0.000 2.265 371 L HA 0.471 4.811 4.340 -0.000 0.000 0.195 371 L C 3.178 179.936 176.870 -0.186 0.000 1.083 371 L CA 0.799 55.527 54.840 -0.187 0.000 0.798 371 L CB -0.688 41.307 42.059 -0.107 0.000 0.989 371 L HN 0.295 nan 8.230 nan 0.000 0.472 372 A N -0.620 122.119 122.820 -0.136 0.000 2.121 372 A HA -0.143 4.176 4.320 -0.000 0.000 0.218 372 A C 0.932 178.468 177.584 -0.080 0.000 1.154 372 A CA 0.682 52.641 52.037 -0.129 0.000 0.679 372 A CB -0.618 18.303 19.000 -0.132 0.000 0.795 372 A HN 0.669 nan 8.150 nan 0.000 0.458 373 N N -1.331 117.283 118.700 -0.144 0.000 2.735 373 N HA -0.182 4.558 4.740 -0.000 0.000 0.248 373 N C 0.224 175.789 175.510 0.093 0.000 1.083 373 N CA 0.237 53.227 53.050 -0.100 0.000 0.703 373 N CB -1.148 37.194 38.487 -0.242 0.000 1.005 373 N HN 0.704 nan 8.380 nan 0.000 0.550 374 A N -0.003 122.912 122.820 0.158 0.000 2.462 374 A HA 0.307 4.627 4.320 -0.000 0.000 0.243 374 A C 1.220 178.846 177.584 0.070 0.000 1.076 374 A CA 0.282 52.446 52.037 0.212 0.000 0.773 374 A CB 0.458 19.582 19.000 0.205 0.000 1.010 374 A HN 0.304 nan 8.150 nan 0.000 0.493 375 S N 0.427 116.182 115.700 0.092 0.000 2.548 375 S HA 0.419 4.889 4.470 -0.000 0.000 0.215 375 S C 0.617 175.036 174.600 -0.302 0.000 0.976 375 S CA 0.668 58.889 58.200 0.036 0.000 0.908 375 S CB -0.083 63.275 63.200 0.264 0.000 0.781 375 S HN 1.253 nan 8.310 nan 0.000 0.519 376 A N 0.368 122.831 122.820 -0.595 0.000 2.594 376 A HA 0.684 5.004 4.320 -0.000 0.000 0.295 376 A C -2.199 174.958 177.584 -0.712 0.000 1.071 376 A CA -0.603 50.837 52.037 -0.995 0.000 0.685 376 A CB 1.052 18.931 19.000 -1.870 0.000 1.285 376 A HN 0.377 nan 8.150 nan 0.000 0.405 377 W N 1.233 122.010 121.300 -0.872 0.000 2.739 377 W HA 0.636 5.296 4.660 -0.000 0.000 0.331 377 W C -0.878 175.394 176.519 -0.412 0.000 1.049 377 W CA 0.034 57.042 57.345 -0.562 0.000 1.234 377 W CB 1.849 31.047 29.460 -0.438 0.000 1.404 377 W HN 0.711 nan 8.180 nan 0.000 0.477 378 Q N 4.524 123.785 119.800 -0.897 0.000 2.285 378 Q HA 0.236 4.576 4.340 -0.000 0.000 0.269 378 Q C -1.037 174.473 176.000 -0.816 0.000 1.030 378 Q CA -0.870 54.580 55.803 -0.588 0.000 0.788 378 Q CB 2.096 30.542 28.738 -0.487 0.000 1.266 378 Q HN 0.450 nan 8.270 nan 0.000 0.438 379 W N 2.229 123.327 121.300 -0.337 0.000 2.112 379 W HA 0.108 4.768 4.660 -0.000 0.000 0.349 379 W C 1.016 177.426 176.519 -0.183 0.000 1.289 379 W CA -0.347 56.883 57.345 -0.191 0.000 1.256 379 W CB 0.545 30.033 29.460 0.046 0.000 1.148 379 W HN 0.643 nan 8.180 nan 0.000 0.590 380 W N 1.403 122.701 121.300 -0.002 0.000 1.625 380 W HA 0.037 4.697 4.660 -0.000 0.000 0.529 380 W C 0.579 177.024 176.519 -0.123 0.000 2.068 380 W CA 0.241 57.498 57.345 -0.146 0.000 2.305 380 W CB -0.187 29.216 29.460 -0.096 0.000 2.192 380 W HN 0.284 nan 8.180 nan 0.000 0.835 381 T N 0.525 114.425 114.554 -1.090 0.000 2.891 381 T HA 0.122 4.471 4.350 -0.000 0.000 0.296 381 T C 0.750 175.177 174.700 -0.456 0.000 1.025 381 T CA 0.361 61.908 62.100 -0.921 0.000 1.149 381 T CB 0.972 69.226 68.868 -1.023 0.000 1.007 381 T HN 0.505 nan 8.240 nan 0.000 0.528 382 A N 3.486 126.100 122.820 -0.343 0.000 2.015 382 A HA 0.328 4.648 4.320 -0.000 0.000 0.219 382 A C 1.307 178.702 177.584 -0.315 0.000 1.163 382 A CA 1.039 52.921 52.037 -0.258 0.000 0.646 382 A CB -0.591 18.398 19.000 -0.018 0.000 0.806 382 A HN 1.513 nan 8.150 nan 0.000 0.448 383 V N -3.938 115.799 119.914 -0.295 0.000 2.914 383 V HA 0.852 4.972 4.120 -0.000 0.000 0.314 383 V C -0.503 175.447 176.094 -0.241 0.000 1.084 383 V CA -0.054 62.095 62.300 -0.252 0.000 0.963 383 V CB 1.570 33.257 31.823 -0.226 0.000 1.025 383 V HN 0.463 nan 8.190 nan 0.000 0.432 384 S N 1.648 117.234 115.700 -0.189 0.000 2.615 384 S HA 0.644 5.114 4.470 -0.000 0.000 0.269 384 S C -0.252 174.269 174.600 -0.133 0.000 1.161 384 S CA -0.529 57.574 58.200 -0.161 0.000 0.817 384 S CB 1.765 64.898 63.200 -0.112 0.000 1.131 384 S HN 0.763 nan 8.310 nan 0.000 0.467 385 L N 2.191 123.329 121.223 -0.142 0.000 2.375 385 L HA 0.378 4.718 4.340 -0.000 0.000 0.215 385 L C 1.581 178.424 176.870 -0.045 0.000 1.108 385 L CA 1.422 56.205 54.840 -0.096 0.000 0.830 385 L CB -0.859 41.118 42.059 -0.136 0.000 0.959 385 L HN 0.737 nan 8.230 nan 0.000 0.457 386 G N -1.443 107.335 108.800 -0.037 0.000 2.511 386 G HA2 0.263 4.223 3.960 -0.000 0.000 0.316 386 G HA3 0.263 4.223 3.960 -0.000 0.000 0.316 386 G C -0.423 174.468 174.900 -0.015 0.000 1.210 386 G CA -0.420 44.672 45.100 -0.012 0.000 0.969 386 G HN 0.090 nan 8.290 nan 0.000 0.492 387 E N 0.130 120.330 120.200 0.000 0.000 2.028 387 E HA 0.190 4.540 4.350 -0.000 0.000 0.275 387 E C -0.430 176.183 176.600 0.021 0.000 1.171 387 E CA -0.280 56.122 56.400 0.003 0.000 1.186 387 E CB 0.030 29.740 29.700 0.016 0.000 1.256 387 E HN 0.518 nan 8.360 nan 0.000 0.474 388 D N 0.879 121.286 120.400 0.011 0.000 2.497 388 D HA 0.050 4.690 4.640 -0.000 0.000 0.256 388 D C 0.278 176.623 176.300 0.076 0.000 1.273 388 D CA -0.052 53.989 54.000 0.068 0.000 0.812 388 D CB 0.310 41.151 40.800 0.069 0.000 1.190 388 D HN 0.129 nan 8.370 nan 0.000 0.524 389 V N -4.765 115.068 119.914 -0.135 0.000 3.112 389 V HA 0.571 4.691 4.120 -0.000 0.000 0.310 389 V C -2.210 173.473 176.094 -0.684 0.000 1.364 389 V CA -1.979 59.988 62.300 -0.555 0.000 1.058 389 V CB 1.432 33.001 31.823 -0.423 0.000 1.079 389 V HN -0.394 nan 8.190 nan 0.000 0.463 390 P HA 0.026 nan 4.420 nan 0.000 0.215 390 P C 0.283 177.333 177.300 -0.415 0.000 1.157 390 P CA 1.543 64.232 63.100 -0.685 0.000 0.874 390 P CB 0.042 31.288 31.700 -0.756 0.000 0.790 391 I N -0.978 119.380 120.570 -0.354 0.000 2.389 391 I HA 0.243 4.413 4.170 -0.000 0.000 0.288 391 I C 0.207 176.232 176.117 -0.154 0.000 0.999 391 I CA -0.791 60.378 61.300 -0.219 0.000 1.129 391 I CB 1.798 39.679 38.000 -0.198 0.000 1.288 391 I HN -0.180 nan 8.210 nan 0.000 0.444 392 Q N 5.623 125.372 119.800 -0.084 0.000 2.257 392 Q HA 0.437 4.777 4.340 -0.000 0.000 0.255 392 Q C -1.434 174.571 176.000 0.008 0.000 0.920 392 Q CA -0.852 54.925 55.803 -0.044 0.000 0.927 392 Q CB 1.289 30.017 28.738 -0.018 0.000 1.229 392 Q HN 0.438 nan 8.270 nan 0.000 0.433 393 L N 5.193 126.429 121.223 0.021 0.000 2.265 393 L HA 0.391 4.731 4.340 -0.000 0.000 0.288 393 L C -0.714 176.226 176.870 0.117 0.000 1.058 393 L CA 0.140 55.055 54.840 0.124 0.000 0.809 393 L CB 1.030 43.168 42.059 0.132 0.000 1.179 393 L HN 0.648 nan 8.230 nan 0.000 0.429 394 L N 6.142 127.447 121.223 0.136 0.000 2.322 394 L HA 0.515 4.855 4.340 -0.000 0.000 0.281 394 L C -2.089 174.835 176.870 0.092 0.000 1.014 394 L CA -1.916 52.979 54.840 0.092 0.000 0.815 394 L CB 1.769 43.869 42.059 0.068 0.000 1.247 394 L HN 0.393 nan 8.230 nan 0.000 0.421 395 P HA 0.072 nan 4.420 nan 0.000 0.269 395 P C -0.313 177.000 177.300 0.021 0.000 1.209 395 P CA -0.189 62.944 63.100 0.054 0.000 0.776 395 P CB 0.448 32.182 31.700 0.057 0.000 0.876 396 L N 1.319 122.535 121.223 -0.012 0.000 2.492 396 L HA 0.023 4.363 4.340 -0.000 0.000 0.280 396 L C 1.375 178.242 176.870 -0.004 0.000 1.240 396 L CA -0.119 54.707 54.840 -0.023 0.000 0.831 396 L CB -0.225 41.801 42.059 -0.054 0.000 1.100 396 L HN 0.515 nan 8.230 nan 0.000 0.505 397 E N 0.637 120.835 120.200 -0.004 0.000 2.414 397 E HA 0.241 4.591 4.350 -0.000 0.000 0.263 397 E C 0.875 177.477 176.600 0.003 0.000 1.000 397 E CA 0.198 56.599 56.400 0.003 0.000 0.914 397 E CB 0.570 30.272 29.700 0.004 0.000 0.948 397 E HN 0.772 nan 8.360 nan 0.000 0.444 398 G N 2.770 111.575 108.800 0.009 0.000 2.179 398 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.260 398 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.260 398 G C 0.088 174.996 174.900 0.014 0.000 0.977 398 G CA 0.271 45.377 45.100 0.010 0.000 0.641 398 G HN 0.607 nan 8.290 nan 0.000 0.533 399 S N 0.708 116.418 115.700 0.017 0.000 2.654 399 S HA 0.639 5.109 4.470 -0.000 0.000 0.283 399 S C 0.426 175.049 174.600 0.039 0.000 1.180 399 S CA -0.150 58.066 58.200 0.026 0.000 1.021 399 S CB 1.484 64.696 63.200 0.021 0.000 1.018 399 S HN 0.823 nan 8.310 nan 0.000 0.532 400 N N 0.157 118.888 118.700 0.051 0.000 2.491 400 N HA 0.385 5.125 4.740 -0.000 0.000 0.279 400 N C 1.247 176.811 175.510 0.092 0.000 1.236 400 N CA -0.390 52.698 53.050 0.063 0.000 0.982 400 N CB -0.476 38.047 38.487 0.060 0.000 1.194 400 N HN 0.505 nan 8.380 nan 0.000 0.582 401 G N -0.532 108.333 108.800 0.108 0.000 2.422 401 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.218 401 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.218 401 G C 1.336 176.399 174.900 0.271 0.000 1.140 401 G CA 0.363 45.560 45.100 0.162 0.000 0.775 401 G HN 0.455 nan 8.290 nan 0.000 0.545 402 L N 1.618 122.962 121.223 0.201 0.000 2.079 402 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 402 L C 3.297 180.166 176.870 -0.002 0.000 1.081 402 L CA 1.480 56.375 54.840 0.092 0.000 0.752 402 L CB -0.413 41.656 42.059 0.018 0.000 0.896 402 L HN 0.453 nan 8.230 nan 0.000 0.433 403 S N 0.029 115.782 115.700 0.088 0.000 2.440 403 S HA -0.216 4.254 4.470 -0.000 0.000 0.240 403 S C 1.810 176.459 174.600 0.082 0.000 1.014 403 S CA 1.048 59.322 58.200 0.123 0.000 0.980 403 S CB -0.730 62.530 63.200 0.101 0.000 0.775 403 S HN 0.448 nan 8.310 nan 0.000 0.499 404 L N 0.613 121.934 121.223 0.162 0.000 2.549 404 L HA -0.016 4.324 4.340 -0.000 0.000 0.229 404 L C 2.712 179.824 176.870 0.403 0.000 1.158 404 L CA 0.814 55.867 54.840 0.356 0.000 0.842 404 L CB -0.489 41.869 42.059 0.498 0.000 0.952 404 L HN 0.446 nan 8.230 nan 0.000 0.452 405 Q N -1.369 118.254 119.800 -0.295 0.000 2.436 405 Q HA -0.132 4.208 4.340 -0.000 0.000 0.209 405 Q C 0.995 176.774 176.000 -0.369 0.000 0.965 405 Q CA 1.134 56.458 55.803 -0.798 0.000 0.910 405 Q CB 0.234 27.926 28.738 -1.744 0.000 0.980 405 Q HN 0.561 nan 8.270 nan 0.000 0.491 406 Y N -1.570 118.823 120.300 0.155 0.000 2.585 406 Y HA 0.302 4.852 4.550 -0.000 0.000 0.272 406 Y C 0.287 175.949 175.900 -0.396 0.000 1.119 406 Y CA -0.448 57.666 58.100 0.024 0.000 1.255 406 Y CB 1.002 39.433 38.460 -0.048 0.000 1.284 406 Y HN -0.117 nan 8.280 nan 0.000 0.499 407 D N -1.671 118.363 120.400 -0.609 0.000 2.683 407 D HA 0.514 5.154 4.640 -0.000 0.000 0.246 407 D C -0.554 175.052 176.300 -1.157 0.000 1.238 407 D CA 0.294 53.493 54.000 -1.336 0.000 0.759 407 D CB 1.794 42.241 40.800 -0.587 0.000 1.349 407 D HN 0.260 nan 8.370 nan 0.000 0.426 408 G N 0.394 108.338 108.800 -1.426 0.000 2.489 408 G HA2 0.445 4.405 3.960 -0.000 0.000 0.305 408 G HA3 0.445 4.405 3.960 -0.000 0.000 0.305 408 G C -1.573 173.217 174.900 -0.183 0.000 1.311 408 G CA -0.655 44.158 45.100 -0.478 0.000 0.813 408 G HN 0.446 nan 8.290 nan 0.000 0.480 409 E N -0.329 119.906 120.200 0.059 0.000 2.175 409 E HA 0.524 4.874 4.350 -0.000 0.000 0.278 409 E C -0.493 176.231 176.600 0.207 0.000 0.969 409 E CA -0.669 55.800 56.400 0.115 0.000 0.796 409 E CB 1.149 30.890 29.700 0.069 0.000 1.104 409 E HN 0.324 nan 8.360 nan 0.000 0.395 410 I N 3.219 123.911 120.570 0.204 0.000 2.371 410 I HA 0.113 4.282 4.170 -0.000 0.000 0.290 410 I C 0.145 176.328 176.117 0.110 0.000 1.028 410 I CA -0.027 61.374 61.300 0.169 0.000 1.345 410 I CB 1.414 39.513 38.000 0.164 0.000 1.407 410 I HN 0.255 nan 8.210 nan 0.000 0.501 411 S N 4.725 120.473 115.700 0.080 0.000 2.707 411 S HA 0.406 4.876 4.470 -0.000 0.000 0.303 411 S C -0.143 174.482 174.600 0.042 0.000 1.132 411 S CA -0.736 57.506 58.200 0.071 0.000 1.046 411 S CB 0.771 64.008 63.200 0.062 0.000 1.004 411 S HN 0.720 nan 8.310 nan 0.000 0.483 412 T N 2.469 117.072 114.554 0.082 0.000 2.851 412 T HA 0.483 4.833 4.350 -0.000 0.000 0.298 412 T C 0.721 175.474 174.700 0.088 0.000 0.977 412 T CA -0.314 61.813 62.100 0.044 0.000 1.126 412 T CB 0.622 69.594 68.868 0.173 0.000 0.916 412 T HN 0.739 nan 8.240 nan 0.000 0.529 413 T N 0.885 115.427 114.554 -0.020 0.000 2.881 413 T HA 0.403 4.753 4.350 -0.000 0.000 0.278 413 T C 1.148 175.928 174.700 0.133 0.000 0.982 413 T CA -1.078 61.048 62.100 0.044 0.000 0.989 413 T CB 0.960 69.818 68.868 -0.016 0.000 1.058 413 T HN 0.475 nan 8.240 nan 0.000 0.529 414 K N 0.370 120.886 120.400 0.192 0.000 2.288 414 K HA 0.087 4.407 4.320 -0.000 0.000 0.201 414 K C 2.104 178.838 176.600 0.222 0.000 1.048 414 K CA 0.916 57.368 56.287 0.274 0.000 0.956 414 K CB -0.446 32.178 32.500 0.207 0.000 0.746 414 K HN 0.677 nan 8.250 nan 0.000 0.461 415 M N 0.434 120.134 119.600 0.166 0.000 2.229 415 M HA -0.113 4.367 4.480 -0.000 0.000 0.264 415 M C 2.208 178.590 176.300 0.137 0.000 1.063 415 M CA 1.067 56.514 55.300 0.245 0.000 1.114 415 M CB -0.276 32.514 32.600 0.317 0.000 1.387 415 M HN 0.070 nan 8.290 nan 0.000 0.420 416 L N -0.646 120.483 121.223 -0.156 0.000 2.017 416 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 416 L C 1.954 178.609 176.870 -0.358 0.000 1.073 416 L CA 1.889 56.481 54.840 -0.413 0.000 0.745 416 L CB -0.223 41.356 42.059 -0.800 0.000 0.894 416 L HN 0.332 nan 8.230 nan 0.000 0.432 417 W N -0.347 120.983 121.300 0.050 0.000 2.418 417 W HA -0.138 4.522 4.660 -0.000 0.000 0.292 417 W C 2.788 179.347 176.519 0.067 0.000 1.213 417 W CA 1.211 58.578 57.345 0.038 0.000 1.283 417 W CB -0.753 28.723 29.460 0.027 0.000 1.119 417 W HN 0.268 nan 8.180 nan 0.000 0.542 418 T N -3.703 111.018 114.554 0.278 0.000 2.951 418 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 418 T C 1.515 176.350 174.700 0.224 0.000 1.073 418 T CA 1.646 63.883 62.100 0.228 0.000 1.134 418 T CB -0.835 68.164 68.868 0.218 0.000 0.884 418 T HN -0.051 nan 8.240 nan 0.000 0.479 419 T N 2.149 116.827 114.554 0.208 0.000 2.777 419 T HA 0.132 4.482 4.350 -0.000 0.000 0.266 419 T C 2.456 177.201 174.700 0.076 0.000 1.040 419 T CA 1.186 63.392 62.100 0.176 0.000 1.141 419 T CB -0.721 68.372 68.868 0.375 0.000 0.868 419 T HN 0.598 nan 8.240 nan 0.000 0.444 420 A N 2.157 125.016 122.820 0.064 0.000 1.969 420 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 420 A C 2.231 179.863 177.584 0.080 0.000 1.169 420 A CA 1.155 53.209 52.037 0.030 0.000 0.635 420 A CB -0.659 18.372 19.000 0.051 0.000 0.810 420 A HN 0.412 nan 8.150 nan 0.000 0.445 421 N N -0.973 117.802 118.700 0.124 0.000 2.096 421 N HA -0.253 4.487 4.740 -0.000 0.000 0.195 421 N C 1.562 177.033 175.510 -0.065 0.000 1.017 421 N CA 2.310 55.397 53.050 0.063 0.000 0.870 421 N CB -0.411 38.040 38.487 -0.060 0.000 1.024 421 N HN 0.719 nan 8.380 nan 0.000 0.434 422 Y N 0.752 120.988 120.300 -0.107 0.000 2.163 422 Y HA -0.057 4.493 4.550 -0.000 0.000 0.288 422 Y C 2.927 178.465 175.900 -0.603 0.000 1.112 422 Y CA 1.238 59.119 58.100 -0.365 0.000 1.104 422 Y CB -0.717 37.391 38.460 -0.586 0.000 1.016 422 Y HN 0.085 nan 8.280 nan 0.000 0.497 423 S N -0.189 115.129 115.700 -0.637 0.000 2.383 423 S HA -0.242 4.228 4.470 -0.000 0.000 0.227 423 S C 1.910 176.333 174.600 -0.296 0.000 1.026 423 S CA 1.081 58.866 58.200 -0.693 0.000 0.981 423 S CB -1.237 61.701 63.200 -0.437 0.000 0.818 423 S HN 0.425 nan 8.310 nan 0.000 0.472 424 F N 1.121 120.819 119.950 -0.421 0.000 2.293 424 F HA 0.115 4.642 4.527 -0.000 0.000 0.300 424 F C 1.319 176.671 175.800 -0.747 0.000 1.086 424 F CA 1.098 58.716 58.000 -0.637 0.000 1.375 424 F CB -0.009 38.466 39.000 -0.875 0.000 1.045 424 F HN 0.170 nan 8.300 nan 0.000 0.516 425 F N -1.326 118.611 119.950 -0.021 0.000 2.553 425 F HA 0.229 4.756 4.527 -0.000 0.000 0.282 425 F C 0.609 176.390 175.800 -0.033 0.000 1.089 425 F CA -0.069 57.920 58.000 -0.018 0.000 1.411 425 F CB -0.456 38.560 39.000 0.026 0.000 1.125 425 F HN -0.495 nan 8.300 nan 0.000 0.610 426 V N 4.021 123.986 119.914 0.086 0.000 2.356 426 V HA 0.280 4.400 4.120 -0.000 0.000 0.258 426 V C 0.132 176.297 176.094 0.117 0.000 1.065 426 V CA -0.563 61.775 62.300 0.064 0.000 0.935 426 V CB -0.165 31.603 31.823 -0.093 0.000 1.061 426 V HN 0.064 nan 8.190 nan 0.000 0.484 427 R N 4.783 125.340 120.500 0.095 0.000 2.720 427 R HA 0.493 4.833 4.340 -0.000 0.000 0.272 427 R C -2.665 173.686 176.300 0.084 0.000 0.991 427 R CA -2.326 53.814 56.100 0.066 0.000 1.010 427 R CB 1.136 31.445 30.300 0.015 0.000 1.141 427 R HN 0.290 nan 8.270 nan 0.000 0.494 428 P HA -0.050 nan 4.420 nan 0.000 0.263 428 P C 0.718 178.058 177.300 0.067 0.000 1.175 428 P CA 1.045 64.181 63.100 0.060 0.000 0.761 428 P CB 0.312 32.038 31.700 0.043 0.000 0.794 429 G N 1.672 110.522 108.800 0.083 0.000 2.225 429 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.254 429 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.254 429 G C 0.325 175.285 174.900 0.099 0.000 0.988 429 G CA -0.073 45.078 45.100 0.085 0.000 0.625 429 G HN 0.462 nan 8.290 nan 0.000 0.527 430 M N 0.171 119.841 119.600 0.116 0.000 2.232 430 M HA 0.426 4.906 4.480 -0.000 0.000 0.321 430 M C 0.607 177.015 176.300 0.180 0.000 1.101 430 M CA 0.637 56.028 55.300 0.152 0.000 1.181 430 M CB 0.629 33.342 32.600 0.187 0.000 1.432 430 M HN 0.134 nan 8.290 nan 0.000 0.457 431 K N 0.725 121.243 120.400 0.196 0.000 2.259 431 K HA 0.427 4.747 4.320 -0.000 0.000 0.249 431 K C -0.692 176.067 176.600 0.266 0.000 0.942 431 K CA -0.776 55.634 56.287 0.205 0.000 0.816 431 K CB 1.910 34.487 32.500 0.129 0.000 1.155 431 K HN 0.464 nan 8.250 nan 0.000 0.428 432 R N 3.208 123.878 120.500 0.283 0.000 2.491 432 R HA 0.293 4.633 4.340 -0.000 0.000 0.283 432 R C -0.355 176.011 176.300 0.111 0.000 1.072 432 R CA -0.155 56.015 56.100 0.117 0.000 1.048 432 R CB 0.220 30.596 30.300 0.128 0.000 0.983 432 R HN 0.656 nan 8.270 nan 0.000 0.450 433 I N 0.323 120.898 120.570 0.010 0.000 2.892 433 I HA 0.602 4.771 4.170 -0.000 0.000 0.306 433 I C -0.388 175.811 176.117 0.136 0.000 1.078 433 I CA -1.426 59.902 61.300 0.047 0.000 1.032 433 I CB 2.062 40.062 38.000 0.001 0.000 1.229 433 I HN 0.608 nan 8.210 nan 0.000 0.435 434 A N 4.728 127.641 122.820 0.155 0.000 2.462 434 A HA 0.552 4.872 4.320 -0.000 0.000 0.243 434 A C -0.359 177.297 177.584 0.120 0.000 1.076 434 A CA -0.026 52.161 52.037 0.249 0.000 0.773 434 A CB 0.191 19.311 19.000 0.200 0.000 1.010 434 A HN 0.819 nan 8.150 nan 0.000 0.493 435 I N 1.048 121.693 120.570 0.124 0.000 2.560 435 I HA 0.611 4.781 4.170 -0.000 0.000 0.283 435 I C -0.245 175.991 176.117 0.198 0.000 1.115 435 I CA -0.216 61.165 61.300 0.135 0.000 1.066 435 I CB 1.184 39.243 38.000 0.098 0.000 1.221 435 I HN 0.753 nan 8.210 nan 0.000 0.450 436 K N 8.118 128.629 120.400 0.186 0.000 2.316 436 K HA 0.858 5.177 4.320 -0.000 0.000 0.251 436 K C -3.146 173.489 176.600 0.058 0.000 0.934 436 K CA -1.613 54.762 56.287 0.148 0.000 0.802 436 K CB 1.211 33.757 32.500 0.078 0.000 1.171 436 K HN 0.431 nan 8.250 nan 0.000 0.426 437 P HA 0.191 nan 4.420 nan 0.000 0.277 437 P C 0.686 177.828 177.300 -0.263 0.000 1.276 437 P CA 0.330 63.100 63.100 -0.550 0.000 0.788 437 P CB 0.584 31.859 31.700 -0.708 0.000 1.114 438 T N -6.134 108.256 114.554 -0.273 0.000 3.054 438 T HA 0.113 4.462 4.350 -0.000 0.000 0.259 438 T C 1.004 175.636 174.700 -0.113 0.000 1.092 438 T CA 0.451 62.464 62.100 -0.146 0.000 1.121 438 T CB -1.202 67.594 68.868 -0.120 0.000 0.912 438 T HN 0.468 nan 8.240 nan 0.000 0.489 439 Y N 0.568 120.785 120.300 -0.138 0.000 2.342 439 Y HA 0.778 5.328 4.550 -0.000 0.000 0.334 439 Y C 0.533 176.389 175.900 -0.073 0.000 1.067 439 Y CA -2.158 55.888 58.100 -0.090 0.000 1.128 439 Y CB 0.033 38.441 38.460 -0.087 0.000 1.200 439 Y HN 0.524 nan 8.280 nan 0.000 0.464 440 K N 1.303 121.679 120.400 -0.041 0.000 2.447 440 K HA 0.646 4.966 4.320 -0.000 0.000 0.281 440 K C -0.331 176.260 176.600 -0.015 0.000 1.031 440 K CA 0.629 56.903 56.287 -0.022 0.000 1.019 440 K CB -0.715 31.777 32.500 -0.012 0.000 0.918 440 K HN 2.358 nan 8.250 nan 0.000 0.476 441 I N 1.211 121.781 120.570 -0.001 0.000 2.569 441 I HA 0.723 4.893 4.170 -0.000 0.000 0.296 441 I C 0.628 176.753 176.117 0.015 0.000 1.028 441 I CA -0.504 60.803 61.300 0.012 0.000 1.082 441 I CB 1.347 39.368 38.000 0.034 0.000 1.264 441 I HN 1.013 nan 8.210 nan 0.000 0.429 442 S N 2.500 118.204 115.700 0.007 0.000 2.584 442 S HA 0.292 4.762 4.470 -0.000 0.000 0.273 442 S C 0.559 175.160 174.600 0.002 0.000 1.311 442 S CA 0.102 58.303 58.200 0.002 0.000 1.034 442 S CB 0.967 64.163 63.200 -0.006 0.000 0.939 442 S HN 0.757 nan 8.310 nan 0.000 0.513 443 D N 1.017 121.416 120.400 -0.001 0.000 2.192 443 D HA -0.192 4.448 4.640 -0.000 0.000 0.189 443 D C 1.697 177.982 176.300 -0.025 0.000 1.007 443 D CA 1.646 55.643 54.000 -0.006 0.000 0.859 443 D CB -0.438 40.353 40.800 -0.015 0.000 0.936 443 D HN 0.539 nan 8.370 nan 0.000 0.447 444 L N 0.871 122.075 121.223 -0.032 0.000 2.046 444 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 444 L C 2.465 179.309 176.870 -0.043 0.000 1.077 444 L CA 2.726 57.539 54.840 -0.046 0.000 0.747 444 L CB -0.888 41.146 42.059 -0.041 0.000 0.896 444 L HN 0.134 nan 8.230 nan 0.000 0.432 445 E N -0.199 119.986 120.200 -0.024 0.000 2.072 445 E HA -0.099 4.250 4.350 -0.000 0.000 0.191 445 E C 2.239 178.830 176.600 -0.014 0.000 0.985 445 E CA 1.430 57.823 56.400 -0.012 0.000 0.801 445 E CB -1.321 28.380 29.700 0.001 0.000 0.750 445 E HN 0.738 nan 8.360 nan 0.000 0.452 446 A N 1.029 123.840 122.820 -0.015 0.000 1.948 446 A HA 0.155 4.475 4.320 -0.000 0.000 0.220 446 A C 2.818 180.347 177.584 -0.091 0.000 1.177 446 A CA 2.536 54.557 52.037 -0.026 0.000 0.636 446 A CB -0.782 18.212 19.000 -0.009 0.000 0.815 446 A HN 1.103 nan 8.150 nan 0.000 0.449 447 A N -0.687 122.061 122.820 -0.121 0.000 2.070 447 A HA -0.026 4.294 4.320 -0.000 0.000 0.220 447 A C 1.953 179.330 177.584 -0.345 0.000 1.159 447 A CA 2.133 54.033 52.037 -0.229 0.000 0.656 447 A CB -0.822 18.064 19.000 -0.191 0.000 0.800 447 A HN 0.880 nan 8.150 nan 0.000 0.453 448 T N -3.942 110.521 114.554 -0.153 0.000 3.182 448 T HA 0.401 4.751 4.350 -0.000 0.000 0.277 448 T C 0.794 175.579 174.700 0.142 0.000 1.013 448 T CA 0.621 62.715 62.100 -0.010 0.000 0.900 448 T CB 0.051 68.956 68.868 0.063 0.000 1.098 448 T HN 0.577 nan 8.240 nan 0.000 0.543 449 S N 0.583 116.332 115.700 0.081 0.000 4.238 449 S HA 0.597 5.067 4.470 -0.000 0.000 0.167 449 S C -0.704 173.950 174.600 0.089 0.000 0.921 449 S CA -0.407 57.854 58.200 0.102 0.000 1.128 449 S CB 0.331 63.570 63.200 0.066 0.000 1.636 449 S HN 0.258 nan 8.310 nan 0.000 0.753 450 L N 1.498 122.746 121.223 0.042 0.000 2.409 450 L HA 0.764 5.104 4.340 -0.000 0.000 0.272 450 L C -1.595 175.232 176.870 -0.072 0.000 0.980 450 L CA -0.567 54.281 54.840 0.014 0.000 0.826 450 L CB 1.759 43.864 42.059 0.075 0.000 1.268 450 L HN 0.659 nan 8.230 nan 0.000 0.407 451 M N 6.270 125.758 119.600 -0.186 0.000 2.395 451 M HA 0.620 5.100 4.480 -0.000 0.000 0.307 451 M C -1.330 174.775 176.300 -0.325 0.000 1.091 451 M CA -0.416 54.621 55.300 -0.437 0.000 0.919 451 M CB 2.452 34.554 32.600 -0.829 0.000 1.662 451 M HN 0.612 nan 8.290 nan 0.000 0.440 452 I N 2.186 122.675 120.570 -0.135 0.000 2.722 452 I HA 0.708 4.878 4.170 -0.000 0.000 0.292 452 I C -1.393 174.832 176.117 0.180 0.000 1.267 452 I CA -0.020 61.258 61.300 -0.036 0.000 1.036 452 I CB 1.901 39.664 38.000 -0.395 0.000 1.281 452 I HN 0.846 nan 8.210 nan 0.000 0.423 453 S N 3.968 119.764 115.700 0.159 0.000 2.618 453 S HA 0.824 5.294 4.470 -0.000 0.000 0.277 453 S C -1.082 173.473 174.600 -0.075 0.000 1.138 453 S CA -0.669 57.552 58.200 0.035 0.000 0.844 453 S CB 2.025 65.256 63.200 0.052 0.000 1.127 453 S HN 0.613 nan 8.310 nan 0.000 0.474 454 S N 0.226 115.696 115.700 -0.383 0.000 2.569 454 S HA 0.849 5.319 4.470 -0.000 0.000 0.280 454 S C -1.946 172.245 174.600 -0.682 0.000 1.111 454 S CA -0.597 57.425 58.200 -0.297 0.000 0.887 454 S CB 1.005 64.152 63.200 -0.089 0.000 1.095 454 S HN 0.700 nan 8.310 nan 0.000 0.476 455 Y N -0.196 120.173 120.300 0.115 0.000 2.581 455 Y HA 0.699 5.249 4.550 -0.000 0.000 0.337 455 Y C 0.055 176.019 175.900 0.107 0.000 1.108 455 Y CA -0.772 57.404 58.100 0.126 0.000 1.033 455 Y CB 2.319 40.874 38.460 0.158 0.000 1.318 455 Y HN 0.604 nan 8.280 nan 0.000 0.459 456 T N 0.427 115.125 114.554 0.240 0.000 2.932 456 T HA 0.272 4.622 4.350 -0.000 0.000 0.318 456 T C -0.975 173.811 174.700 0.144 0.000 1.265 456 T CA -0.674 61.523 62.100 0.163 0.000 1.036 456 T CB 0.966 69.898 68.868 0.107 0.000 1.209 456 T HN 0.788 nan 8.240 nan 0.000 0.484 457 D N 1.372 121.844 120.400 0.119 0.000 2.395 457 D HA 0.281 4.921 4.640 -0.000 0.000 0.213 457 D C 1.472 177.816 176.300 0.074 0.000 1.110 457 D CA 0.643 54.701 54.000 0.096 0.000 0.835 457 D CB -0.089 40.764 40.800 0.089 0.000 0.965 457 D HN 1.116 nan 8.370 nan 0.000 0.505 458 G N -0.166 108.677 108.800 0.071 0.000 2.199 458 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.254 458 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.254 458 G C 1.173 176.105 174.900 0.053 0.000 0.982 458 G CA 0.719 45.852 45.100 0.055 0.000 0.632 458 G HN 0.843 nan 8.290 nan 0.000 0.529 459 K N -0.427 120.010 120.400 0.062 0.000 2.464 459 K HA 0.707 5.027 4.320 -0.000 0.000 0.206 459 K C 0.532 177.173 176.600 0.069 0.000 1.186 459 K CA 1.360 57.682 56.287 0.059 0.000 0.990 459 K CB 0.609 33.142 32.500 0.055 0.000 1.003 459 K HN 0.601 nan 8.250 nan 0.000 0.562 460 E N -0.265 119.986 120.200 0.084 0.000 2.331 460 E HA 0.542 4.892 4.350 -0.000 0.000 0.275 460 E C -1.773 174.890 176.600 0.105 0.000 0.895 460 E CA -0.850 55.609 56.400 0.099 0.000 0.753 460 E CB 2.665 32.439 29.700 0.122 0.000 1.216 460 E HN 0.019 nan 8.360 nan 0.000 0.434 461 V N 3.087 123.060 119.914 0.099 0.000 2.448 461 V HA 0.419 4.539 4.120 -0.000 0.000 0.295 461 V C -0.484 175.675 176.094 0.109 0.000 1.025 461 V CA -0.805 61.557 62.300 0.103 0.000 0.859 461 V CB 1.576 33.445 31.823 0.076 0.000 0.988 461 V HN 0.421 nan 8.190 nan 0.000 0.431 462 V N 3.849 123.855 119.914 0.152 0.000 2.417 462 V HA 0.578 4.698 4.120 -0.000 0.000 0.291 462 V C 0.127 176.324 176.094 0.172 0.000 1.024 462 V CA -0.144 62.246 62.300 0.151 0.000 0.861 462 V CB 2.057 34.009 31.823 0.216 0.000 0.985 462 V HN 0.973 nan 8.190 nan 0.000 0.436 463 T N 4.252 118.853 114.554 0.077 0.000 2.841 463 T HA 0.640 4.990 4.350 -0.000 0.000 0.283 463 T C -0.618 174.082 174.700 0.000 0.000 1.000 463 T CA -0.451 61.683 62.100 0.056 0.000 0.977 463 T CB 1.829 70.696 68.868 -0.001 0.000 0.979 463 T HN 0.339 nan 8.240 nan 0.000 0.446 464 V N 2.230 122.150 119.914 0.011 0.000 2.444 464 V HA 0.788 4.908 4.120 -0.000 0.000 0.294 464 V C -0.111 175.935 176.094 -0.081 0.000 1.022 464 V CA -0.968 61.257 62.300 -0.125 0.000 0.850 464 V CB 1.304 32.860 31.823 -0.444 0.000 0.992 464 V HN 1.083 nan 8.190 nan 0.000 0.426 465 A N 6.207 128.960 122.820 -0.112 0.000 2.303 465 A HA 0.876 5.196 4.320 -0.000 0.000 0.320 465 A C -0.633 176.907 177.584 -0.072 0.000 1.192 465 A CA -0.495 51.474 52.037 -0.114 0.000 0.821 465 A CB 0.613 19.518 19.000 -0.157 0.000 1.188 465 A HN 0.807 nan 8.150 nan 0.000 0.492 466 I N 2.834 123.370 120.570 -0.056 0.000 2.312 466 I HA 0.178 4.348 4.170 -0.000 0.000 0.290 466 I C 0.061 176.186 176.117 0.013 0.000 1.008 466 I CA -0.564 60.739 61.300 0.005 0.000 1.226 466 I CB 1.256 39.285 38.000 0.050 0.000 1.371 466 I HN 0.603 nan 8.210 nan 0.000 0.468 467 N N 5.611 124.328 118.700 0.028 0.000 2.521 467 N HA 0.038 4.778 4.740 -0.000 0.000 0.236 467 N C 0.275 175.831 175.510 0.078 0.000 1.067 467 N CA 0.090 53.166 53.050 0.043 0.000 0.939 467 N CB 0.290 38.786 38.487 0.014 0.000 1.201 467 N HN 0.464 nan 8.380 nan 0.000 0.511 468 Y N 1.921 122.216 120.300 -0.008 0.000 2.516 468 Y HA 0.015 4.565 4.550 -0.000 0.000 0.291 468 Y C 1.333 177.247 175.900 0.025 0.000 1.131 468 Y CA 0.390 58.498 58.100 0.012 0.000 1.281 468 Y CB 0.154 38.616 38.460 0.003 0.000 1.013 468 Y HN 0.469 nan 8.280 nan 0.000 0.554 469 S N -0.217 115.544 115.700 0.102 0.000 2.614 469 S HA 0.101 4.571 4.470 -0.000 0.000 0.265 469 S C 0.719 175.323 174.600 0.006 0.000 1.303 469 S CA -0.681 57.557 58.200 0.063 0.000 1.000 469 S CB 1.180 64.420 63.200 0.066 0.000 0.935 469 S HN 0.322 nan 8.310 nan 0.000 0.551 470 K N 0.329 120.735 120.400 0.010 0.000 2.522 470 K HA 0.159 4.479 4.320 -0.000 0.000 0.194 470 K C -0.328 176.274 176.600 0.004 0.000 1.026 470 K CA 0.371 56.657 56.287 -0.002 0.000 1.119 470 K CB -0.018 32.485 32.500 0.004 0.000 0.856 470 K HN 0.625 nan 8.250 nan 0.000 0.513 471 E N 0.613 120.820 120.200 0.011 0.000 2.238 471 E HA 0.192 4.542 4.350 -0.000 0.000 0.267 471 E C -0.988 175.618 176.600 0.010 0.000 0.887 471 E CA -0.914 55.493 56.400 0.011 0.000 0.769 471 E CB 1.149 30.859 29.700 0.018 0.000 1.187 471 E HN 0.013 nan 8.360 nan 0.000 0.416 472 N N 2.335 121.038 118.700 0.005 0.000 2.407 472 N HA 0.006 4.746 4.740 -0.000 0.000 0.250 472 N C -0.681 174.836 175.510 0.012 0.000 1.236 472 N CA 0.405 53.458 53.050 0.004 0.000 0.879 472 N CB 0.536 39.022 38.487 -0.002 0.000 1.088 472 N HN 0.435 nan 8.380 nan 0.000 0.450 473 Q N 0.268 120.077 119.800 0.015 0.000 2.372 473 Q HA 0.547 4.887 4.340 -0.000 0.000 0.273 473 Q C -1.394 174.621 176.000 0.024 0.000 1.078 473 Q CA -0.786 55.033 55.803 0.028 0.000 0.806 473 Q CB 2.112 30.876 28.738 0.043 0.000 1.332 473 Q HN 0.310 nan 8.270 nan 0.000 0.435 474 V N 4.372 124.305 119.914 0.032 0.000 2.483 474 V HA 0.593 4.713 4.120 -0.000 0.000 0.295 474 V C -0.094 176.037 176.094 0.061 0.000 1.035 474 V CA -0.620 61.699 62.300 0.031 0.000 0.896 474 V CB 0.974 32.809 31.823 0.020 0.000 0.986 474 V HN 0.741 nan 8.190 nan 0.000 0.447 475 I N 0.510 121.121 120.570 0.069 0.000 3.002 475 I HA 1.011 5.181 4.170 -0.000 0.000 0.310 475 I C -0.000 176.177 176.117 0.101 0.000 1.087 475 I CA -0.683 60.694 61.300 0.130 0.000 1.017 475 I CB 2.271 40.384 38.000 0.189 0.000 1.226 475 I HN 0.630 nan 8.210 nan 0.000 0.443 476 S N 4.046 119.825 115.700 0.132 0.000 2.478 476 S HA 0.732 5.202 4.470 -0.000 0.000 0.312 476 S C -0.910 173.769 174.600 0.131 0.000 1.094 476 S CA -0.539 57.717 58.200 0.093 0.000 1.081 476 S CB 1.110 64.345 63.200 0.059 0.000 1.007 476 S HN 0.598 nan 8.310 nan 0.000 0.475 477 L N 3.055 124.332 121.223 0.091 0.000 2.265 477 L HA 0.477 4.817 4.340 -0.000 0.000 0.289 477 L C -0.294 176.618 176.870 0.070 0.000 1.033 477 L CA -0.481 54.415 54.840 0.094 0.000 0.814 477 L CB 0.965 43.055 42.059 0.052 0.000 1.203 477 L HN 0.765 nan 8.230 nan 0.000 0.423 478 N N 3.702 122.450 118.700 0.080 0.000 2.439 478 N HA 0.327 5.067 4.740 -0.000 0.000 0.249 478 N C -1.339 174.203 175.510 0.053 0.000 1.003 478 N CA -0.283 52.801 53.050 0.056 0.000 0.942 478 N CB 0.601 39.117 38.487 0.049 0.000 1.115 478 N HN 0.652 nan 8.380 nan 0.000 0.505 479 C N 4.849 124.174 119.300 0.042 0.000 2.801 479 C HA 0.366 4.826 4.460 -0.000 0.000 0.296 479 C C 0.304 175.313 174.990 0.032 0.000 1.054 479 C CA -0.428 58.613 59.018 0.039 0.000 1.442 479 C CB -1.619 26.145 27.740 0.039 0.000 1.860 479 C HN 0.981 nan 8.230 nan 0.000 0.459 480 D N 1.550 121.968 120.400 0.029 0.000 3.584 480 D HA -0.302 4.338 4.640 -0.000 0.000 0.153 480 D C 1.304 177.617 176.300 0.022 0.000 0.949 480 D CA 2.659 56.673 54.000 0.024 0.000 1.011 480 D CB -0.503 40.311 40.800 0.023 0.000 0.476 480 D HN 0.947 nan 8.370 nan 0.000 0.460 481 H N -0.895 118.187 119.070 0.020 0.000 2.539 481 H HA 0.710 5.266 4.556 -0.000 0.000 0.269 481 H C 0.995 176.334 175.328 0.017 0.000 0.980 481 H CA 1.214 57.272 56.048 0.017 0.000 1.152 481 H CB -0.423 29.347 29.762 0.015 0.000 1.407 481 H HN 0.646 nan 8.280 nan 0.000 0.564 482 A N 0.602 123.434 122.820 0.021 0.000 2.520 482 A HA 0.288 4.607 4.320 -0.000 0.000 0.245 482 A C 1.548 179.142 177.584 0.017 0.000 1.072 482 A CA 0.399 52.448 52.037 0.020 0.000 0.761 482 A CB 0.356 19.371 19.000 0.025 0.000 1.004 482 A HN 0.584 nan 8.150 nan 0.000 0.499 483 Q N 1.596 121.404 119.800 0.013 0.000 2.123 483 Q HA 0.026 4.366 4.340 -0.000 0.000 0.196 483 Q C 0.416 176.419 176.000 0.005 0.000 0.958 483 Q CA 2.065 57.873 55.803 0.009 0.000 0.841 483 Q CB -0.016 28.725 28.738 0.006 0.000 0.915 483 Q HN 0.816 nan 8.270 nan 0.000 0.455 484 K N -2.400 118.004 120.400 0.007 0.000 2.495 484 K HA 0.791 5.111 4.320 -0.000 0.000 0.268 484 K C -0.697 175.908 176.600 0.007 0.000 1.008 484 K CA -0.892 55.395 56.287 0.000 0.000 0.882 484 K CB 1.523 34.020 32.500 -0.005 0.000 1.443 484 K HN 0.048 nan 8.250 nan 0.000 0.447 485 G N 0.587 109.386 108.800 -0.001 0.000 2.690 485 G HA2 0.393 4.353 3.960 -0.000 0.000 0.291 485 G HA3 0.393 4.353 3.960 -0.000 0.000 0.291 485 G C -1.618 173.279 174.900 -0.005 0.000 1.403 485 G CA -1.036 44.069 45.100 0.010 0.000 0.864 485 G HN 0.392 nan 8.290 nan 0.000 0.480 486 K N 0.077 120.496 120.400 0.031 0.000 2.276 486 K HA 0.489 4.809 4.320 -0.000 0.000 0.283 486 K C -0.617 175.908 176.600 -0.126 0.000 1.044 486 K CA -0.306 55.989 56.287 0.013 0.000 0.944 486 K CB 1.829 34.424 32.500 0.158 0.000 1.012 486 K HN 0.158 nan 8.250 nan 0.000 0.472 487 V N 4.589 124.312 119.914 -0.318 0.000 2.448 487 V HA 0.308 4.428 4.120 -0.000 0.000 0.295 487 V C -1.268 174.570 176.094 -0.425 0.000 1.025 487 V CA -0.819 61.320 62.300 -0.268 0.000 0.859 487 V CB 0.795 32.499 31.823 -0.198 0.000 0.988 487 V HN 0.590 nan 8.190 nan 0.000 0.431 488 Y N 5.010 125.301 120.300 -0.016 0.000 2.326 488 Y HA 0.660 5.210 4.550 -0.000 0.000 0.329 488 Y C -0.430 175.470 175.900 0.001 0.000 0.973 488 Y CA -0.651 57.476 58.100 0.045 0.000 1.162 488 Y CB 1.861 40.380 38.460 0.099 0.000 1.147 488 Y HN 0.500 nan 8.280 nan 0.000 0.456 489 L N 3.264 124.550 121.223 0.106 0.000 2.322 489 L HA 0.699 5.039 4.340 -0.000 0.000 0.281 489 L C -0.440 176.452 176.870 0.036 0.000 1.014 489 L CA -0.077 54.788 54.840 0.040 0.000 0.815 489 L CB 1.755 43.804 42.059 -0.017 0.000 1.247 489 L HN 0.571 nan 8.230 nan 0.000 0.421 490 T N 3.218 117.800 114.554 0.048 0.000 2.779 490 T HA 0.721 5.071 4.350 -0.000 0.000 0.280 490 T C -0.183 174.538 174.700 0.035 0.000 0.987 490 T CA -0.371 61.759 62.100 0.050 0.000 0.966 490 T CB 1.172 70.118 68.868 0.131 0.000 0.933 490 T HN 0.805 nan 8.240 nan 0.000 0.442 491 T N -0.292 114.270 114.554 0.014 0.000 2.696 491 T HA 0.499 4.849 4.350 -0.000 0.000 0.291 491 T C 1.290 175.996 174.700 0.010 0.000 1.095 491 T CA -0.890 61.215 62.100 0.008 0.000 1.026 491 T CB 0.672 69.533 68.868 -0.012 0.000 1.390 491 T HN 0.350 nan 8.240 nan 0.000 0.513 492 I N 0.299 120.872 120.570 0.005 0.000 2.290 492 I HA -0.227 3.943 4.170 -0.000 0.000 0.253 492 I C 0.961 177.077 176.117 -0.001 0.000 1.112 492 I CA 2.093 63.397 61.300 0.007 0.000 1.377 492 I CB -0.026 37.974 38.000 0.000 0.000 1.060 492 I HN 0.626 nan 8.210 nan 0.000 0.428 493 D N -0.054 120.335 120.400 -0.017 0.000 2.417 493 D HA 0.177 4.817 4.640 -0.000 0.000 0.207 493 D C -0.134 176.131 176.300 -0.058 0.000 1.075 493 D CA 0.392 54.374 54.000 -0.031 0.000 0.851 493 D CB 0.448 41.229 40.800 -0.032 0.000 0.976 493 D HN 0.241 nan 8.370 nan 0.000 0.505 494 K N 0.843 121.202 120.400 -0.069 0.000 2.471 494 K HA 0.390 4.710 4.320 -0.000 0.000 0.252 494 K C -1.072 175.419 176.600 -0.181 0.000 0.938 494 K CA -0.761 55.457 56.287 -0.114 0.000 0.796 494 K CB 1.805 34.258 32.500 -0.078 0.000 1.161 494 K HN -0.247 nan 8.250 nan 0.000 0.425 495 N N 3.266 121.743 118.700 -0.371 0.000 2.589 495 N HA 0.109 4.849 4.740 -0.000 0.000 0.232 495 N C -0.340 174.759 175.510 -0.685 0.000 1.015 495 N CA -0.533 52.036 53.050 -0.801 0.000 0.931 495 N CB 0.589 38.148 38.487 -1.545 0.000 1.150 495 N HN 0.554 nan 8.380 nan 0.000 0.512 496 L N 0.968 122.053 121.223 -0.231 0.000 4.054 496 L HA -0.280 4.060 4.340 -0.000 0.000 0.475 496 L C 0.346 177.216 176.870 -0.001 0.000 1.166 496 L CA 0.691 55.527 54.840 -0.007 0.000 0.688 496 L CB -0.895 41.256 42.059 0.152 0.000 1.512 496 L HN 0.523 nan 8.230 nan 0.000 0.799 497 R N 1.091 121.578 120.500 -0.020 0.000 2.442 497 R HA 0.095 4.434 4.340 -0.000 0.000 0.291 497 R C -0.262 176.122 176.300 0.139 0.000 1.069 497 R CA -0.528 55.586 56.100 0.022 0.000 1.022 497 R CB 0.432 30.702 30.300 -0.050 0.000 0.976 497 R HN 0.337 nan 8.270 nan 0.000 0.443 498 Y N 5.550 125.881 120.300 0.051 0.000 2.569 498 Y HA -0.015 4.535 4.550 -0.000 0.000 0.332 498 Y C 0.271 176.062 175.900 -0.181 0.000 1.120 498 Y CA 0.153 58.176 58.100 -0.128 0.000 1.416 498 Y CB 0.795 39.238 38.460 -0.027 0.000 1.210 498 Y HN 0.625 nan 8.280 nan 0.000 0.528 499 M N 5.108 124.317 119.600 -0.652 0.000 2.333 499 M HA 0.286 4.766 4.480 -0.000 0.000 0.257 499 M C 0.796 176.661 176.300 -0.726 0.000 1.078 499 M CA 0.670 55.648 55.300 -0.536 0.000 1.005 499 M CB -0.831 31.581 32.600 -0.314 0.000 1.444 499 M HN 0.892 nan 8.290 nan 0.000 0.496 500 G N 1.291 109.244 108.800 -1.411 0.000 2.710 500 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.668 500 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.668 500 G C -0.843 173.757 174.900 -0.499 0.000 1.320 500 G CA -0.944 43.556 45.100 -1.000 0.000 0.860 500 G HN 0.365 nan 8.290 nan 0.000 0.538 501 E N 0.094 120.166 120.200 -0.213 0.000 2.360 501 E HA 0.471 4.821 4.350 -0.000 0.000 0.269 501 E C 0.221 176.753 176.600 -0.113 0.000 1.022 501 E CA 0.257 56.599 56.400 -0.095 0.000 0.887 501 E CB 1.020 30.705 29.700 -0.024 0.000 0.990 501 E HN 0.503 nan 8.360 nan 0.000 0.426 502 Q N 2.438 122.185 119.800 -0.088 0.000 2.359 502 Q HA 0.310 4.650 4.340 -0.000 0.000 0.274 502 Q C -2.598 173.374 176.000 -0.046 0.000 1.074 502 Q CA -2.203 53.553 55.803 -0.079 0.000 0.810 502 Q CB 2.172 30.851 28.738 -0.099 0.000 1.342 502 Q HN 0.237 nan 8.270 nan 0.000 0.427 503 P HA 0.037 nan 4.420 nan 0.000 0.276 503 P C 0.222 177.514 177.300 -0.013 0.000 1.253 503 P CA 0.255 63.343 63.100 -0.020 0.000 0.766 503 P CB 0.619 32.308 31.700 -0.018 0.000 0.845 504 L N 2.551 123.772 121.223 -0.004 0.000 2.189 504 L HA -0.208 4.132 4.340 -0.000 0.000 0.214 504 L C 2.463 179.341 176.870 0.015 0.000 1.097 504 L CA 1.684 56.527 54.840 0.006 0.000 0.764 504 L CB -0.710 41.358 42.059 0.014 0.000 0.900 504 L HN 0.432 nan 8.230 nan 0.000 0.436 505 K N 0.894 121.301 120.400 0.011 0.000 2.217 505 K HA -0.121 4.199 4.320 -0.000 0.000 0.202 505 K C 1.036 177.645 176.600 0.015 0.000 1.051 505 K CA 1.067 57.364 56.287 0.016 0.000 0.952 505 K CB 0.268 32.774 32.500 0.010 0.000 0.736 505 K HN 0.004 nan 8.250 nan 0.000 0.453 506 K N 1.288 121.691 120.400 0.005 0.000 2.753 506 K HA 0.218 4.538 4.320 -0.000 0.000 0.185 506 K C -1.492 175.104 176.600 -0.007 0.000 1.071 506 K CA -0.259 56.029 56.287 0.002 0.000 0.999 506 K CB 0.533 33.031 32.500 -0.004 0.000 1.244 506 K HN 0.039 nan 8.250 nan 0.000 0.594 507 L N 2.985 124.207 121.223 -0.000 0.000 2.257 507 L HA 0.298 4.638 4.340 -0.000 0.000 0.290 507 L C -0.048 176.814 176.870 -0.013 0.000 1.044 507 L CA -0.764 54.068 54.840 -0.014 0.000 0.810 507 L CB 1.359 43.408 42.059 -0.015 0.000 1.193 507 L HN 0.367 nan 8.230 nan 0.000 0.425 508 Q N 4.057 123.841 119.800 -0.027 0.000 2.337 508 Q HA 0.415 4.755 4.340 -0.000 0.000 0.255 508 Q C -1.107 174.876 176.000 -0.029 0.000 0.997 508 Q CA 0.208 55.996 55.803 -0.025 0.000 0.925 508 Q CB 0.759 29.476 28.738 -0.035 0.000 1.212 508 Q HN 0.482 nan 8.270 nan 0.000 0.436 509 L N 7.242 128.454 121.223 -0.018 0.000 2.301 509 L HA 0.496 4.836 4.340 -0.000 0.000 0.278 509 L C -2.184 174.678 176.870 -0.014 0.000 1.022 509 L CA -2.268 52.559 54.840 -0.020 0.000 0.854 509 L CB 1.249 43.295 42.059 -0.021 0.000 1.226 509 L HN 0.444 nan 8.230 nan 0.000 0.429 510 P HA 0.032 nan 4.420 nan 0.000 0.269 510 P C -0.097 177.196 177.300 -0.012 0.000 1.215 510 P CA -0.256 62.835 63.100 -0.016 0.000 0.780 510 P CB 0.644 32.331 31.700 -0.021 0.000 0.898 511 A N 3.341 126.154 122.820 -0.011 0.000 2.565 511 A HA 0.018 4.338 4.320 -0.000 0.000 0.237 511 A C 0.491 178.059 177.584 -0.026 0.000 1.053 511 A CA 0.154 52.183 52.037 -0.014 0.000 0.755 511 A CB -0.607 18.385 19.000 -0.014 0.000 0.980 511 A HN 0.621 nan 8.150 nan 0.000 0.506 512 R N -0.438 120.036 120.500 -0.042 0.000 3.209 512 R HA -0.147 4.193 4.340 -0.000 0.000 0.252 512 R C 0.005 176.285 176.300 -0.034 0.000 0.958 512 R CA 1.166 57.222 56.100 -0.073 0.000 0.651 512 R CB -2.834 27.418 30.300 -0.081 0.000 1.142 512 R HN 1.679 nan 8.270 nan 0.000 0.441 513 S N -2.493 113.199 115.700 -0.013 0.000 2.651 513 S HA 0.813 5.283 4.470 -0.000 0.000 0.279 513 S C -0.354 174.259 174.600 0.021 0.000 1.148 513 S CA -0.717 57.486 58.200 0.006 0.000 0.837 513 S CB 3.465 66.662 63.200 -0.005 0.000 1.138 513 S HN 0.047 nan 8.310 nan 0.000 0.478 514 V N 0.709 120.640 119.914 0.029 0.000 2.588 514 V HA 0.891 5.011 4.120 -0.000 0.000 0.304 514 V C -0.123 175.972 176.094 0.002 0.000 1.042 514 V CA -0.377 61.934 62.300 0.019 0.000 0.877 514 V CB 1.218 33.069 31.823 0.046 0.000 0.996 514 V HN 1.357 nan 8.190 nan 0.000 0.425 515 A N 2.772 125.572 122.820 -0.032 0.000 2.356 515 A HA 0.865 5.185 4.320 -0.000 0.000 0.310 515 A C -0.270 177.277 177.584 -0.062 0.000 1.075 515 A CA -0.530 51.489 52.037 -0.029 0.000 0.746 515 A CB 1.649 20.624 19.000 -0.040 0.000 1.221 515 A HN 0.703 nan 8.150 nan 0.000 0.443 516 T N 2.290 116.823 114.554 -0.036 0.000 2.797 516 T HA 0.599 4.949 4.350 -0.000 0.000 0.279 516 T C -0.594 174.066 174.700 -0.066 0.000 0.991 516 T CA 0.068 62.105 62.100 -0.106 0.000 0.979 516 T CB 0.587 69.331 68.868 -0.207 0.000 0.943 516 T HN 0.400 nan 8.240 nan 0.000 0.444 517 I N 3.093 123.615 120.570 -0.080 0.000 2.410 517 I HA 0.411 4.581 4.170 -0.000 0.000 0.286 517 I C -0.535 175.561 176.117 -0.035 0.000 1.009 517 I CA -0.722 60.553 61.300 -0.043 0.000 1.111 517 I CB 1.824 39.803 38.000 -0.036 0.000 1.262 517 I HN 0.307 nan 8.210 nan 0.000 0.443 518 V N 7.059 126.972 119.914 -0.002 0.000 2.417 518 V HA 0.561 4.681 4.120 -0.000 0.000 0.291 518 V C 0.188 176.320 176.094 0.064 0.000 1.024 518 V CA -0.613 61.707 62.300 0.033 0.000 0.861 518 V CB 1.684 33.544 31.823 0.061 0.000 0.985 518 V HN 0.450 nan 8.190 nan 0.000 0.436 519 V N 0.000 119.952 119.914 0.064 0.000 2.409 519 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 519 V CA 0.000 62.334 62.300 0.057 0.000 1.235 519 V CB 0.000 31.851 31.823 0.046 0.000 1.184 519 V HN 0.000 nan 8.190 nan 0.000 0.556