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 3glf_1_D DATA FIRST_RESID 2 DATA SEQUENCE SYQVLARKWR PQTFADVVGQ EHVLTALANG LSLGRIHHAY LFSGTRGVGK DATA SEQUENCE TSIARLLAKG LNCETGITAT PCGVCDNCRE IEQGRFVDLI EIDAASRTKV DATA SEQUENCE EDTRDLLDNV QYAPARGRFK VYLIDEVHML SRHSFNALLK TLEEPPEHVK DATA SEQUENCE FLLATTDPQK LPVTILSRCL QFHLKALDVE QIRHQLEHIL NEEHIAHEPR DATA SEQUENCE ALQLLARAAE GSLRDALSLT DQAIASGDGQ VSTQAVSAML GTLDDDQALS DATA SEQUENCE LVEAMVEANG ERVMALINEA AARGIEWEAL LVEMLGLLHR IAMVQLSPAA DATA SEQUENCE LGNDMAAIEL RMRELARTIP PTDIQLYYQT LLIGRKELPY APDRRMGVEM DATA SEQUENCE TLLRALAFHP RM VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.636 174.600 0.060 0.000 1.055 2 S CA 0.000 58.226 58.200 0.043 0.000 1.107 2 S CB 0.000 63.208 63.200 0.013 0.000 0.593 3 Y N 3.345 123.643 120.300 -0.003 0.000 2.480 3 Y HA 0.509 5.059 4.550 0.000 0.000 0.338 3 Y C 0.258 176.160 175.900 0.004 0.000 1.220 3 Y CA 0.814 58.916 58.100 0.003 0.000 1.430 3 Y CB 0.493 38.959 38.460 0.010 0.000 1.311 3 Y HN 0.461 nan 8.280 nan 0.000 0.575 4 Q N 3.489 122.542 119.800 -1.245 0.000 2.340 4 Q HA 0.416 4.756 4.340 0.000 0.000 0.276 4 Q C -1.218 174.124 176.000 -1.096 0.000 1.048 4 Q CA -1.211 54.058 55.803 -0.889 0.000 0.832 4 Q CB 2.422 30.925 28.738 -0.391 0.000 1.373 4 Q HN 0.535 nan 8.270 nan 0.000 0.409 5 V N 2.418 122.033 119.914 -0.498 0.000 3.061 5 V HA -0.145 3.975 4.120 0.000 0.000 0.306 5 V C 1.457 177.521 176.094 -0.051 0.000 1.118 5 V CA 0.405 62.623 62.300 -0.138 0.000 1.231 5 V CB -0.069 31.747 31.823 -0.013 0.000 0.956 5 V HN 0.698 nan 8.190 nan 0.000 0.499 6 L N 3.546 124.831 121.223 0.103 0.000 2.012 6 L HA -0.143 4.197 4.340 0.000 0.000 0.210 6 L C 2.589 179.575 176.870 0.193 0.000 1.073 6 L CA 2.392 57.374 54.840 0.237 0.000 0.748 6 L CB -1.402 40.779 42.059 0.204 0.000 0.891 6 L HN 0.849 nan 8.230 nan 0.000 0.431 7 A N -0.962 121.916 122.820 0.097 0.000 2.117 7 A HA -0.308 4.012 4.320 0.000 0.000 0.224 7 A C 2.551 180.167 177.584 0.054 0.000 1.167 7 A CA 2.446 54.522 52.037 0.065 0.000 0.664 7 A CB -0.586 18.436 19.000 0.035 0.000 0.811 7 A HN 0.462 nan 8.150 nan 0.000 0.470 8 R N -1.441 119.078 120.500 0.031 0.000 2.140 8 R HA 0.123 4.463 4.340 0.000 0.000 0.200 8 R C 2.225 178.505 176.300 -0.033 0.000 1.069 8 R CA 0.701 56.793 56.100 -0.014 0.000 1.088 8 R CB -0.166 30.098 30.300 -0.060 0.000 1.012 8 R HN 0.451 nan 8.270 nan 0.000 0.500 9 K N -0.392 119.973 120.400 -0.059 0.000 2.103 9 K HA -0.165 4.155 4.320 0.000 0.000 0.207 9 K C 0.510 176.980 176.600 -0.217 0.000 1.048 9 K CA 1.558 57.741 56.287 -0.174 0.000 0.930 9 K CB -0.048 32.320 32.500 -0.220 0.000 0.716 9 K HN 0.232 nan 8.250 nan 0.000 0.444 10 W N 2.126 123.405 121.300 -0.035 0.000 3.305 10 W HA 0.212 4.872 4.660 0.000 0.000 0.392 10 W C 0.021 176.526 176.519 -0.024 0.000 1.121 10 W CA -0.773 56.562 57.345 -0.017 0.000 1.909 10 W CB 0.266 29.723 29.460 -0.005 0.000 1.065 10 W HN -0.016 nan 8.180 nan 0.000 0.714 11 R N 2.378 122.933 120.500 0.092 0.000 2.522 11 R HA 0.060 4.400 4.340 0.000 0.000 0.284 11 R C -2.253 174.069 176.300 0.036 0.000 1.032 11 R CA -1.297 54.831 56.100 0.046 0.000 1.049 11 R CB 0.273 30.571 30.300 -0.002 0.000 0.956 11 R HN -0.167 nan 8.270 nan 0.000 0.422 12 P HA -0.016 nan 4.420 nan 0.000 0.263 12 P C -0.578 176.728 177.300 0.009 0.000 1.195 12 P CA 0.134 63.251 63.100 0.028 0.000 0.762 12 P CB 0.923 32.619 31.700 -0.008 0.000 0.799 13 Q N 0.526 120.334 119.800 0.014 0.000 2.246 13 Q HA 0.120 4.460 4.340 0.000 0.000 0.222 13 Q C 0.345 176.354 176.000 0.016 0.000 0.851 13 Q CA 0.685 56.487 55.803 -0.001 0.000 0.945 13 Q CB 0.638 29.359 28.738 -0.027 0.000 1.122 13 Q HN 0.559 nan 8.270 nan 0.000 0.508 14 T N -4.053 110.529 114.554 0.046 0.000 2.909 14 T HA 0.468 4.818 4.350 0.000 0.000 0.299 14 T C 0.728 175.532 174.700 0.175 0.000 1.073 14 T CA -0.711 61.435 62.100 0.076 0.000 0.999 14 T CB 0.543 69.432 68.868 0.036 0.000 1.098 14 T HN -0.059 nan 8.240 nan 0.000 0.477 15 F N 1.102 121.011 119.950 -0.068 0.000 2.087 15 F HA -0.185 4.342 4.527 0.000 0.000 0.299 15 F C 3.053 178.815 175.800 -0.063 0.000 1.100 15 F CA 1.218 59.172 58.000 -0.078 0.000 1.226 15 F CB -0.408 38.544 39.000 -0.080 0.000 0.983 15 F HN 0.833 nan 8.300 nan 0.000 0.479 16 A N -0.346 122.565 122.820 0.151 0.000 1.971 16 A HA -0.288 4.032 4.320 0.000 0.000 0.222 16 A C 1.531 179.129 177.584 0.024 0.000 1.182 16 A CA 2.355 54.430 52.037 0.064 0.000 0.649 16 A CB -0.731 18.297 19.000 0.046 0.000 0.818 16 A HN 0.322 nan 8.150 nan 0.000 0.458 17 D N -0.991 119.426 120.400 0.029 0.000 2.328 17 D HA 0.194 4.834 4.640 0.000 0.000 0.226 17 D C -0.042 176.250 176.300 -0.013 0.000 1.066 17 D CA 0.141 54.149 54.000 0.014 0.000 0.861 17 D CB 0.132 40.962 40.800 0.052 0.000 0.912 17 D HN 0.172 nan 8.370 nan 0.000 0.521 18 V N 1.098 120.986 119.914 -0.044 0.000 2.509 18 V HA 0.159 4.279 4.120 0.000 0.000 0.284 18 V C 0.492 176.535 176.094 -0.085 0.000 1.047 18 V CA -0.725 61.523 62.300 -0.088 0.000 0.952 18 V CB 2.194 33.912 31.823 -0.175 0.000 0.988 18 V HN -0.224 nan 8.190 nan 0.000 0.469 19 V N 5.534 125.402 119.914 -0.078 0.000 2.461 19 V HA 0.650 4.771 4.120 0.000 0.000 0.275 19 V C 1.034 177.083 176.094 -0.076 0.000 1.047 19 V CA 0.992 63.254 62.300 -0.063 0.000 0.955 19 V CB 0.267 32.062 31.823 -0.047 0.000 0.988 19 V HN 1.307 nan 8.190 nan 0.000 0.471 20 G N 4.408 113.169 108.800 -0.065 0.000 2.575 20 G HA2 -0.247 3.713 3.960 0.000 0.000 0.267 20 G HA3 -0.247 3.713 3.960 0.000 0.000 0.267 20 G C 0.116 174.952 174.900 -0.106 0.000 1.264 20 G CA 0.168 45.232 45.100 -0.060 0.000 0.935 20 G HN 1.000 nan 8.290 nan 0.000 0.568 21 Q N -1.433 118.310 119.800 -0.095 0.000 2.468 21 Q HA -0.226 4.114 4.340 0.000 0.000 0.256 21 Q C 1.344 177.165 176.000 -0.299 0.000 0.984 21 Q CA 2.117 57.781 55.803 -0.233 0.000 1.110 21 Q CB -1.942 26.625 28.738 -0.285 0.000 1.527 21 Q HN 0.993 nan 8.270 nan 0.000 0.535 22 E N -0.058 120.076 120.200 -0.111 0.000 2.267 22 E HA -0.207 4.143 4.350 0.000 0.000 0.197 22 E C 1.767 178.331 176.600 -0.061 0.000 0.998 22 E CA 1.344 57.695 56.400 -0.081 0.000 0.830 22 E CB -0.239 29.453 29.700 -0.014 0.000 0.751 22 E HN 0.773 nan 8.360 nan 0.000 0.491 23 H N -0.674 118.372 119.070 -0.040 0.000 2.436 23 H HA 0.034 4.590 4.556 0.000 0.000 0.294 23 H C 1.981 177.280 175.328 -0.049 0.000 1.048 23 H CA 0.917 56.957 56.048 -0.013 0.000 1.353 23 H CB -0.366 29.415 29.762 0.031 0.000 1.414 23 H HN 0.044 nan 8.280 nan 0.000 0.536 24 V N 1.835 121.391 119.914 -0.597 0.000 2.346 24 V HA -0.153 3.967 4.120 0.000 0.000 0.244 24 V C 3.088 178.900 176.094 -0.470 0.000 1.037 24 V CA 0.900 62.862 62.300 -0.563 0.000 1.029 24 V CB -0.539 30.951 31.823 -0.554 0.000 0.663 24 V HN 0.230 nan 8.190 nan 0.000 0.454 25 L N -0.087 120.896 121.223 -0.401 0.000 2.042 25 L HA -0.216 4.124 4.340 0.000 0.000 0.210 25 L C 2.631 179.422 176.870 -0.132 0.000 1.076 25 L CA 2.042 56.674 54.840 -0.345 0.000 0.749 25 L CB -1.143 40.718 42.059 -0.331 0.000 0.893 25 L HN 0.383 nan 8.230 nan 0.000 0.432 26 T N 0.018 114.516 114.554 -0.093 0.000 2.643 26 T HA -0.191 4.159 4.350 0.000 0.000 0.264 26 T C 2.022 176.732 174.700 0.017 0.000 1.045 26 T CA 1.529 63.624 62.100 -0.007 0.000 1.155 26 T CB -0.260 68.619 68.868 0.018 0.000 0.863 26 T HN 0.466 nan 8.240 nan 0.000 0.420 27 A N 1.076 123.895 122.820 -0.002 0.000 1.908 27 A HA -0.055 4.265 4.320 0.000 0.000 0.218 27 A C 2.351 179.980 177.584 0.076 0.000 1.181 27 A CA 1.374 53.454 52.037 0.071 0.000 0.627 27 A CB -0.952 18.146 19.000 0.164 0.000 0.818 27 A HN 0.465 nan 8.150 nan 0.000 0.445 28 L N -0.986 120.211 121.223 -0.044 0.000 1.961 28 L HA -0.219 4.121 4.340 0.000 0.000 0.210 28 L C 3.155 180.103 176.870 0.130 0.000 1.072 28 L CA 1.332 56.201 54.840 0.049 0.000 0.749 28 L CB -0.665 41.387 42.059 -0.013 0.000 0.889 28 L HN 0.450 nan 8.230 nan 0.000 0.432 29 A N -0.292 122.629 122.820 0.168 0.000 1.978 29 A HA -0.253 4.067 4.320 0.000 0.000 0.220 29 A C 1.969 179.601 177.584 0.080 0.000 1.170 29 A CA 2.193 54.309 52.037 0.132 0.000 0.636 29 A CB -0.668 18.425 19.000 0.155 0.000 0.810 29 A HN 0.458 nan 8.150 nan 0.000 0.448 30 N N -0.160 118.592 118.700 0.086 0.000 2.106 30 N HA -0.043 4.697 4.740 0.000 0.000 0.188 30 N C 1.820 177.384 175.510 0.089 0.000 1.029 30 N CA 1.567 54.665 53.050 0.079 0.000 0.848 30 N CB -0.570 37.966 38.487 0.083 0.000 1.007 30 N HN 0.383 nan 8.380 nan 0.000 0.423 31 G N 0.434 109.307 108.800 0.121 0.000 2.408 31 G HA2 -0.130 3.830 3.960 0.000 0.000 0.217 31 G HA3 -0.130 3.830 3.960 0.000 0.000 0.217 31 G C 1.541 176.509 174.900 0.114 0.000 1.150 31 G CA 0.387 45.569 45.100 0.137 0.000 0.776 31 G HN 0.243 nan 8.290 nan 0.000 0.542 32 L N 0.777 122.056 121.223 0.094 0.000 2.079 32 L HA -0.111 4.229 4.340 0.000 0.000 0.210 32 L C 3.143 180.041 176.870 0.045 0.000 1.081 32 L CA 1.258 56.131 54.840 0.055 0.000 0.752 32 L CB -0.326 41.737 42.059 0.007 0.000 0.896 32 L HN 0.177 nan 8.230 nan 0.000 0.433 33 S N -0.092 115.634 115.700 0.043 0.000 2.336 33 S HA -0.023 4.447 4.470 0.000 0.000 0.216 33 S C 1.878 176.506 174.600 0.046 0.000 1.032 33 S CA 0.831 59.052 58.200 0.036 0.000 0.973 33 S CB -0.301 62.915 63.200 0.028 0.000 0.888 33 S HN 0.265 nan 8.310 nan 0.000 0.455 34 L N 1.110 122.366 121.223 0.054 0.000 2.351 34 L HA -0.056 4.284 4.340 0.000 0.000 0.220 34 L C 1.823 178.729 176.870 0.060 0.000 1.127 34 L CA 0.888 55.761 54.840 0.055 0.000 0.786 34 L CB -0.962 41.133 42.059 0.061 0.000 0.914 34 L HN 0.594 nan 8.230 nan 0.000 0.443 35 G N -0.705 108.136 108.800 0.070 0.000 2.157 35 G HA2 -0.255 3.705 3.960 0.000 0.000 0.248 35 G HA3 -0.255 3.705 3.960 0.000 0.000 0.248 35 G C 0.506 175.458 174.900 0.087 0.000 0.979 35 G CA -0.296 44.850 45.100 0.078 0.000 0.650 35 G HN 0.237 nan 8.290 nan 0.000 0.529 36 R N 0.588 121.144 120.500 0.093 0.000 4.609 36 R HA 0.289 4.629 4.340 0.000 0.000 0.235 36 R C 0.822 177.204 176.300 0.136 0.000 1.836 36 R CA -0.158 56.001 56.100 0.099 0.000 1.564 36 R CB -0.490 29.867 30.300 0.096 0.000 1.382 36 R HN 0.497 nan 8.270 nan 0.000 0.776 37 I N 1.101 121.755 120.570 0.139 0.000 2.396 37 I HA 0.034 4.204 4.170 0.000 0.000 0.289 37 I C 1.114 177.326 176.117 0.158 0.000 1.056 37 I CA -0.309 61.108 61.300 0.194 0.000 1.365 37 I CB 0.393 38.472 38.000 0.131 0.000 1.407 37 I HN 0.220 nan 8.210 nan 0.000 0.509 38 H N 6.113 125.223 119.070 0.066 0.000 2.408 38 H HA 0.156 4.712 4.556 0.000 0.000 0.352 38 H C 1.194 176.482 175.328 -0.067 0.000 1.607 38 H CA 0.184 56.099 56.048 -0.221 0.000 1.445 38 H CB 0.741 30.107 29.762 -0.661 0.000 1.664 38 H HN 0.606 nan 8.280 nan 0.000 0.605 39 H N -0.934 118.110 119.070 -0.044 0.000 2.874 39 H HA 0.446 5.002 4.556 0.000 0.000 0.264 39 H C -0.592 174.918 175.328 0.304 0.000 1.007 39 H CA 0.304 56.418 56.048 0.109 0.000 1.207 39 H CB 0.657 30.422 29.762 0.005 0.000 1.487 39 H HN 0.380 nan 8.280 nan 0.000 0.505 40 A N 1.249 124.347 122.820 0.464 0.000 2.679 40 A HA 0.428 4.748 4.320 0.000 0.000 0.288 40 A C -1.920 175.636 177.584 -0.046 0.000 1.160 40 A CA -0.591 51.654 52.037 0.346 0.000 0.763 40 A CB 0.266 19.492 19.000 0.377 0.000 1.270 40 A HN 0.210 nan 8.150 nan 0.000 0.417 41 Y N 1.352 121.643 120.300 -0.015 0.000 2.313 41 Y HA 0.551 5.101 4.550 0.000 0.000 0.332 41 Y C 0.089 175.801 175.900 -0.314 0.000 1.071 41 Y CA -0.749 57.193 58.100 -0.264 0.000 1.169 41 Y CB 1.694 39.993 38.460 -0.267 0.000 1.192 41 Y HN 0.610 nan 8.280 nan 0.000 0.487 42 L N 4.787 125.828 121.223 -0.303 0.000 2.325 42 L HA 0.618 4.958 4.340 0.000 0.000 0.281 42 L C -1.867 174.871 176.870 -0.221 0.000 1.004 42 L CA -0.759 53.976 54.840 -0.175 0.000 0.823 42 L CB 0.109 42.104 42.059 -0.107 0.000 1.236 42 L HN 0.334 nan 8.230 nan 0.000 0.415 43 F N 3.651 123.711 119.950 0.184 0.000 2.427 43 F HA 0.717 5.244 4.527 0.000 0.000 0.346 43 F C 0.580 176.464 175.800 0.141 0.000 1.120 43 F CA -0.170 57.940 58.000 0.184 0.000 1.033 43 F CB 1.811 40.896 39.000 0.141 0.000 1.126 43 F HN 0.637 nan 8.300 nan 0.000 0.462 44 S N 1.192 117.081 115.700 0.315 0.000 2.667 44 S HA 1.026 5.496 4.470 0.000 0.000 0.292 44 S C -0.344 174.310 174.600 0.090 0.000 1.126 44 S CA -0.659 57.684 58.200 0.239 0.000 0.881 44 S CB 2.009 65.386 63.200 0.294 0.000 1.132 44 S HN 1.312 nan 8.310 nan 0.000 0.492 45 G N 0.436 109.270 108.800 0.056 0.000 2.326 45 G HA2 0.376 4.336 3.960 0.000 0.000 0.413 45 G HA3 0.376 4.336 3.960 0.000 0.000 0.413 45 G C -0.543 174.360 174.900 0.004 0.000 1.444 45 G CA -0.400 44.638 45.100 -0.103 0.000 1.002 45 G HN 1.230 nan 8.290 nan 0.000 0.649 46 T N -0.075 114.478 114.554 -0.002 0.000 2.802 46 T HA 0.471 4.821 4.350 0.000 0.000 0.305 46 T C 1.131 175.841 174.700 0.017 0.000 1.053 46 T CA -0.010 62.104 62.100 0.023 0.000 1.058 46 T CB 0.594 69.476 68.868 0.024 0.000 0.988 46 T HN 1.236 nan 8.240 nan 0.000 0.539 47 R N 0.586 121.103 120.500 0.028 0.000 2.481 47 R HA 0.101 4.441 4.340 0.000 0.000 0.291 47 R C 0.806 177.113 176.300 0.012 0.000 0.934 47 R CA 0.821 56.937 56.100 0.027 0.000 1.116 47 R CB -1.449 28.869 30.300 0.030 0.000 0.895 47 R HN 1.510 nan 8.270 nan 0.000 0.410 48 G N 2.115 110.919 108.800 0.008 0.000 2.256 48 G HA2 -0.215 3.745 3.960 0.000 0.000 0.272 48 G HA3 -0.215 3.745 3.960 0.000 0.000 0.272 48 G C 0.042 174.930 174.900 -0.019 0.000 1.076 48 G CA 0.017 45.114 45.100 -0.004 0.000 0.882 48 G HN 0.563 nan 8.290 nan 0.000 0.497 49 V N -0.796 119.099 119.914 -0.032 0.000 3.253 49 V HA 0.584 4.704 4.120 0.000 0.000 0.320 49 V C 1.782 177.830 176.094 -0.077 0.000 1.442 49 V CA 0.672 62.943 62.300 -0.049 0.000 1.097 49 V CB 0.214 32.008 31.823 -0.049 0.000 1.008 49 V HN 2.033 nan 8.190 nan 0.000 0.463 50 G N 1.006 109.758 108.800 -0.080 0.000 2.130 50 G HA2 -0.238 3.722 3.960 0.000 0.000 0.216 50 G HA3 -0.238 3.722 3.960 0.000 0.000 0.216 50 G C 0.793 175.588 174.900 -0.176 0.000 0.999 50 G CA 0.503 45.528 45.100 -0.124 0.000 0.686 50 G HN 0.416 nan 8.290 nan 0.000 0.515 51 K N -0.377 119.951 120.400 -0.119 0.000 1.985 51 K HA -0.090 4.230 4.320 0.000 0.000 0.210 51 K C 2.836 179.325 176.600 -0.184 0.000 1.047 51 K CA 2.135 58.351 56.287 -0.118 0.000 0.932 51 K CB -0.232 32.280 32.500 0.019 0.000 0.716 51 K HN 0.555 nan 8.250 nan 0.000 0.439 52 T N -2.030 112.467 114.554 -0.096 0.000 3.065 52 T HA 0.093 4.443 4.350 0.000 0.000 0.252 52 T C 1.863 176.495 174.700 -0.114 0.000 1.099 52 T CA 0.673 62.726 62.100 -0.078 0.000 1.063 52 T CB 0.228 69.091 68.868 -0.010 0.000 0.948 52 T HN -0.073 nan 8.240 nan 0.000 0.506 53 S N 1.030 116.651 115.700 -0.132 0.000 2.387 53 S HA 0.194 4.664 4.470 0.000 0.000 0.226 53 S C 1.817 176.300 174.600 -0.194 0.000 1.026 53 S CA 0.837 58.960 58.200 -0.129 0.000 0.972 53 S CB -0.325 62.812 63.200 -0.105 0.000 0.814 53 S HN 0.506 nan 8.310 nan 0.000 0.477 54 I N 1.444 121.820 120.570 -0.323 0.000 2.353 54 I HA -0.161 4.009 4.170 0.000 0.000 0.248 54 I C 2.646 178.471 176.117 -0.487 0.000 1.119 54 I CA 0.856 61.870 61.300 -0.477 0.000 1.417 54 I CB -0.552 37.035 38.000 -0.689 0.000 1.078 54 I HN 0.254 nan 8.210 nan 0.000 0.421 55 A N 1.298 123.821 122.820 -0.495 0.000 1.851 55 A HA -0.232 4.088 4.320 0.000 0.000 0.216 55 A C 2.371 179.891 177.584 -0.107 0.000 1.195 55 A CA 1.530 53.423 52.037 -0.239 0.000 0.622 55 A CB -0.679 18.295 19.000 -0.043 0.000 0.831 55 A HN 0.292 nan 8.150 nan 0.000 0.444 56 R N -0.627 119.815 120.500 -0.096 0.000 2.139 56 R HA -0.134 4.207 4.340 0.000 0.000 0.243 56 R C 2.057 178.325 176.300 -0.053 0.000 1.145 56 R CA 1.478 57.539 56.100 -0.064 0.000 0.976 56 R CB -0.664 29.603 30.300 -0.055 0.000 0.866 56 R HN 0.560 nan 8.270 nan 0.000 0.449 57 L N 0.172 121.376 121.223 -0.031 0.000 2.095 57 L HA -0.149 4.191 4.340 0.000 0.000 0.204 57 L C 2.424 179.382 176.870 0.147 0.000 1.080 57 L CA 0.392 55.292 54.840 0.100 0.000 0.759 57 L CB -0.407 41.800 42.059 0.247 0.000 0.914 57 L HN 0.139 nan 8.230 nan 0.000 0.439 58 L N 0.581 121.874 121.223 0.117 0.000 1.989 58 L HA -0.202 4.138 4.340 0.000 0.000 0.211 58 L C 2.682 179.520 176.870 -0.053 0.000 1.071 58 L CA 2.152 57.031 54.840 0.065 0.000 0.749 58 L CB -0.954 41.103 42.059 -0.004 0.000 0.890 58 L HN 0.171 nan 8.230 nan 0.000 0.431 59 A N -0.479 122.302 122.820 -0.066 0.000 1.903 59 A HA -0.350 3.970 4.320 0.000 0.000 0.219 59 A C 2.358 179.847 177.584 -0.159 0.000 1.191 59 A CA 2.577 54.548 52.037 -0.111 0.000 0.638 59 A CB -0.718 18.217 19.000 -0.108 0.000 0.823 59 A HN 0.566 nan 8.150 nan 0.000 0.451 60 K N -1.092 119.215 120.400 -0.156 0.000 2.063 60 K HA -0.104 4.216 4.320 0.000 0.000 0.208 60 K C 2.116 178.619 176.600 -0.162 0.000 1.048 60 K CA 1.247 57.424 56.287 -0.182 0.000 0.928 60 K CB -0.557 31.858 32.500 -0.142 0.000 0.713 60 K HN 0.497 nan 8.250 nan 0.000 0.442 61 G N 0.869 109.564 108.800 -0.175 0.000 2.432 61 G HA2 -0.215 3.745 3.960 0.000 0.000 0.219 61 G HA3 -0.215 3.745 3.960 0.000 0.000 0.219 61 G C 1.422 176.256 174.900 -0.110 0.000 1.135 61 G CA 0.675 45.653 45.100 -0.203 0.000 0.767 61 G HN 0.098 nan 8.290 nan 0.000 0.550 62 L N 0.030 121.203 121.223 -0.083 0.000 2.095 62 L HA 0.075 4.415 4.340 0.000 0.000 0.204 62 L C 2.257 179.207 176.870 0.134 0.000 1.080 62 L CA 0.765 55.612 54.840 0.012 0.000 0.759 62 L CB -0.187 41.817 42.059 -0.093 0.000 0.914 62 L HN 0.057 nan 8.230 nan 0.000 0.439 63 N N -1.017 117.702 118.700 0.031 0.000 2.353 63 N HA -0.006 4.734 4.740 0.000 0.000 0.185 63 N C 0.332 175.855 175.510 0.021 0.000 1.098 63 N CA -0.012 53.069 53.050 0.050 0.000 0.872 63 N CB -0.219 38.214 38.487 -0.091 0.000 0.970 63 N HN 0.210 nan 8.380 nan 0.000 0.467 64 C N 1.705 120.992 119.300 -0.022 0.000 2.538 64 C HA -0.016 4.444 4.460 0.000 0.000 0.408 64 C C 1.938 176.933 174.990 0.008 0.000 1.421 64 C CA -0.190 58.813 59.018 -0.026 0.000 1.642 64 C CB -0.348 27.359 27.740 -0.054 0.000 2.553 64 C HN 0.479 nan 8.230 nan 0.000 0.604 65 E N 1.488 121.700 120.200 0.019 0.000 2.396 65 E HA -0.159 4.191 4.350 0.000 0.000 0.200 65 E C 1.989 178.595 176.600 0.009 0.000 1.023 65 E CA 1.687 58.102 56.400 0.025 0.000 0.857 65 E CB 0.191 29.909 29.700 0.031 0.000 0.775 65 E HN 1.004 nan 8.360 nan 0.000 0.525 66 T N -2.990 111.562 114.554 -0.002 0.000 3.054 66 T HA 0.264 4.614 4.350 0.000 0.000 0.259 66 T C 0.777 175.473 174.700 -0.006 0.000 1.092 66 T CA 0.380 62.475 62.100 -0.008 0.000 1.121 66 T CB 0.811 69.668 68.868 -0.019 0.000 0.912 66 T HN 0.178 nan 8.240 nan 0.000 0.489 67 G N 0.679 109.478 108.800 -0.002 0.000 2.353 67 G HA2 0.281 4.241 3.960 0.000 0.000 0.308 67 G HA3 0.281 4.241 3.960 0.000 0.000 0.308 67 G C -1.277 173.631 174.900 0.013 0.000 1.418 67 G CA -0.965 44.140 45.100 0.007 0.000 0.966 67 G HN 0.409 nan 8.290 nan 0.000 0.638 68 I N 1.668 122.262 120.570 0.040 0.000 2.576 68 I HA 0.279 4.449 4.170 0.000 0.000 0.288 68 I C 1.004 177.120 176.117 -0.002 0.000 1.126 68 I CA 0.432 61.763 61.300 0.051 0.000 1.362 68 I CB 0.437 38.502 38.000 0.108 0.000 1.419 68 I HN 0.493 nan 8.210 nan 0.000 0.533 69 T N 4.016 118.538 114.554 -0.052 0.000 2.940 69 T HA 0.663 5.013 4.350 0.000 0.000 0.288 69 T C 0.592 175.184 174.700 -0.180 0.000 1.045 69 T CA -0.112 61.929 62.100 -0.097 0.000 1.018 69 T CB 1.908 70.713 68.868 -0.107 0.000 1.151 69 T HN 0.610 nan 8.240 nan 0.000 0.529 70 A N 0.840 123.534 122.820 -0.210 0.000 2.343 70 A HA 0.330 4.650 4.320 0.000 0.000 0.223 70 A C 1.004 178.267 177.584 -0.535 0.000 1.214 70 A CA 0.605 52.435 52.037 -0.345 0.000 0.900 70 A CB 0.054 18.967 19.000 -0.146 0.000 0.942 70 A HN 0.878 nan 8.150 nan 0.000 0.507 71 T N -0.562 113.793 114.554 -0.333 0.000 3.466 71 T HA 0.528 4.878 4.350 0.000 0.000 0.297 71 T C -3.064 171.506 174.700 -0.216 0.000 1.640 71 T CA -1.822 60.120 62.100 -0.264 0.000 1.631 71 T CB 0.480 69.274 68.868 -0.124 0.000 0.928 71 T HN -0.008 nan 8.240 nan 0.000 0.688 72 P HA 0.210 nan 4.420 nan 0.000 0.271 72 P C 1.492 178.724 177.300 -0.114 0.000 1.218 72 P CA -0.747 62.244 63.100 -0.183 0.000 0.780 72 P CB 0.569 32.143 31.700 -0.210 0.000 0.901 73 C N 0.519 119.772 119.300 -0.079 0.000 2.508 73 C HA 0.289 4.749 4.460 0.000 0.000 0.280 73 C C 1.782 176.747 174.990 -0.043 0.000 1.262 73 C CA 1.087 60.074 59.018 -0.052 0.000 1.706 73 C CB -1.779 25.939 27.740 -0.037 0.000 2.078 73 C HN 0.754 nan 8.230 nan 0.000 0.480 74 G N -0.403 108.371 108.800 -0.043 0.000 2.134 74 G HA2 -0.142 3.818 3.960 0.000 0.000 0.209 74 G HA3 -0.142 3.818 3.960 0.000 0.000 0.209 74 G C 0.212 175.098 174.900 -0.023 0.000 0.993 74 G CA 0.250 45.329 45.100 -0.035 0.000 0.669 74 G HN 1.194 nan 8.290 nan 0.000 0.519 75 V N 0.142 120.045 119.914 -0.019 0.000 3.172 75 V HA 0.235 4.355 4.120 0.000 0.000 0.343 75 V C 1.132 177.225 176.094 -0.003 0.000 1.429 75 V CA 0.093 62.386 62.300 -0.010 0.000 1.149 75 V CB -0.070 31.746 31.823 -0.011 0.000 1.106 75 V HN 0.994 nan 8.190 nan 0.000 0.526 76 C N -2.300 117.001 119.300 0.002 0.000 2.470 76 C HA 0.595 5.055 4.460 0.000 0.000 0.341 76 C C 1.688 176.699 174.990 0.034 0.000 1.190 76 C CA -0.651 58.377 59.018 0.016 0.000 1.904 76 C CB 1.549 29.300 27.740 0.018 0.000 2.354 76 C HN 0.382 nan 8.230 nan 0.000 0.509 77 D N 1.438 121.864 120.400 0.043 0.000 2.191 77 D HA -0.189 4.451 4.640 0.000 0.000 0.190 77 D C 1.552 177.929 176.300 0.129 0.000 1.007 77 D CA 2.150 56.189 54.000 0.065 0.000 0.865 77 D CB -0.337 40.493 40.800 0.051 0.000 0.929 77 D HN 0.694 nan 8.370 nan 0.000 0.447 78 N N -0.489 118.307 118.700 0.160 0.000 2.244 78 N HA -0.082 4.658 4.740 0.000 0.000 0.183 78 N C 1.830 177.370 175.510 0.050 0.000 1.016 78 N CA 0.657 53.862 53.050 0.259 0.000 0.866 78 N CB -0.447 38.186 38.487 0.244 0.000 0.980 78 N HN 0.282 nan 8.380 nan 0.000 0.430 79 C N 0.043 119.343 119.300 0.000 0.000 2.492 79 C HA 0.179 4.639 4.460 0.000 0.000 0.279 79 C C 2.524 177.501 174.990 -0.022 0.000 1.335 79 C CA -0.167 58.819 59.018 -0.054 0.000 1.734 79 C CB -0.655 27.052 27.740 -0.055 0.000 2.027 79 C HN 0.424 nan 8.230 nan 0.000 0.496 80 R N 1.212 121.719 120.500 0.012 0.000 2.073 80 R HA -0.117 4.223 4.340 0.000 0.000 0.234 80 R C 2.082 178.407 176.300 0.041 0.000 1.134 80 R CA 1.362 57.471 56.100 0.015 0.000 0.952 80 R CB -0.303 30.007 30.300 0.017 0.000 0.850 80 R HN 0.619 nan 8.270 nan 0.000 0.433 81 E N 0.262 120.523 120.200 0.101 0.000 2.160 81 E HA -0.195 4.155 4.350 0.000 0.000 0.195 81 E C 1.910 178.605 176.600 0.158 0.000 0.991 81 E CA 1.059 57.557 56.400 0.163 0.000 0.810 81 E CB -0.016 29.862 29.700 0.296 0.000 0.742 81 E HN 0.389 nan 8.360 nan 0.000 0.466 82 I N 0.502 121.118 120.570 0.077 0.000 2.333 82 I HA -0.181 3.989 4.170 0.000 0.000 0.246 82 I C 2.576 178.686 176.117 -0.011 0.000 1.106 82 I CA 0.749 62.043 61.300 -0.009 0.000 1.411 82 I CB -0.297 37.595 38.000 -0.180 0.000 1.082 82 I HN 0.115 nan 8.210 nan 0.000 0.420 83 E N 1.488 121.676 120.200 -0.020 0.000 2.147 83 E HA -0.286 4.064 4.350 0.000 0.000 0.199 83 E C 1.797 178.389 176.600 -0.014 0.000 1.005 83 E CA 1.607 57.992 56.400 -0.024 0.000 0.810 83 E CB 0.066 29.748 29.700 -0.029 0.000 0.736 83 E HN 0.565 nan 8.360 nan 0.000 0.460 84 Q N -1.404 118.399 119.800 0.005 0.000 2.319 84 Q HA 0.180 4.520 4.340 0.000 0.000 0.202 84 Q C 1.259 177.271 176.000 0.021 0.000 0.896 84 Q CA 0.352 56.160 55.803 0.007 0.000 0.942 84 Q CB 1.058 29.802 28.738 0.010 0.000 1.083 84 Q HN 0.463 nan 8.270 nan 0.000 0.510 85 G N 1.959 110.780 108.800 0.036 0.000 2.212 85 G HA2 -0.383 3.577 3.960 0.000 0.000 0.266 85 G HA3 -0.383 3.577 3.960 0.000 0.000 0.266 85 G C 1.027 175.971 174.900 0.073 0.000 0.978 85 G CA 0.686 45.816 45.100 0.050 0.000 0.632 85 G HN 0.350 nan 8.290 nan 0.000 0.537 86 R N -0.758 119.786 120.500 0.074 0.000 2.280 86 R HA 0.249 4.589 4.340 0.000 0.000 0.207 86 R C 1.102 177.451 176.300 0.081 0.000 1.043 86 R CA 0.189 56.324 56.100 0.059 0.000 1.006 86 R CB -0.044 30.278 30.300 0.036 0.000 0.885 86 R HN 0.439 nan 8.270 nan 0.000 0.467 87 F N -0.166 119.777 119.950 -0.011 0.000 2.495 87 F HA -0.015 4.513 4.527 0.000 0.000 0.365 87 F C 1.236 177.027 175.800 -0.014 0.000 1.090 87 F CA -0.128 57.865 58.000 -0.011 0.000 1.235 87 F CB 0.953 39.947 39.000 -0.011 0.000 1.119 87 F HN -0.309 nan 8.300 nan 0.000 0.562 88 V N 4.093 123.737 119.914 -0.451 0.000 3.052 88 V HA -0.092 4.029 4.120 0.000 0.000 0.254 88 V C 0.784 176.812 176.094 -0.110 0.000 1.100 88 V CA 1.284 63.442 62.300 -0.237 0.000 1.112 88 V CB -0.349 31.296 31.823 -0.296 0.000 0.738 88 V HN 0.699 nan 8.190 nan 0.000 0.469 89 D N 0.260 120.625 120.400 -0.060 0.000 2.427 89 D HA 0.196 4.836 4.640 0.000 0.000 0.224 89 D C -0.010 176.488 176.300 0.330 0.000 1.157 89 D CA 0.090 54.232 54.000 0.237 0.000 0.828 89 D CB 1.017 41.988 40.800 0.285 0.000 0.974 89 D HN 0.247 nan 8.370 nan 0.000 0.498 90 L N 1.426 122.858 121.223 0.348 0.000 2.408 90 L HA 0.389 4.729 4.340 0.000 0.000 0.257 90 L C -0.772 176.127 176.870 0.049 0.000 1.053 90 L CA -0.439 54.472 54.840 0.119 0.000 0.922 90 L CB 0.590 42.701 42.059 0.087 0.000 1.261 90 L HN -0.162 nan 8.230 nan 0.000 0.458 91 I N 3.418 123.945 120.570 -0.073 0.000 2.347 91 I HA 0.164 4.334 4.170 0.000 0.000 0.294 91 I C 0.356 176.498 176.117 0.042 0.000 1.090 91 I CA 0.105 61.379 61.300 -0.044 0.000 1.314 91 I CB 0.601 38.489 38.000 -0.186 0.000 1.423 91 I HN 0.594 nan 8.210 nan 0.000 0.503 92 E N 7.762 128.002 120.200 0.067 0.000 2.146 92 E HA 0.469 4.820 4.350 0.000 0.000 0.282 92 E C -0.943 175.710 176.600 0.089 0.000 0.989 92 E CA -0.527 55.922 56.400 0.082 0.000 0.799 92 E CB 0.911 30.647 29.700 0.060 0.000 1.088 92 E HN 0.491 nan 8.360 nan 0.000 0.397 93 I N 3.694 124.329 120.570 0.107 0.000 2.378 93 I HA 0.143 4.313 4.170 0.000 0.000 0.291 93 I C -0.276 175.876 176.117 0.058 0.000 0.992 93 I CA -0.859 60.496 61.300 0.092 0.000 1.154 93 I CB 1.584 39.655 38.000 0.118 0.000 1.315 93 I HN 0.505 nan 8.210 nan 0.000 0.448 94 D N 5.795 126.217 120.400 0.037 0.000 2.470 94 D HA 0.231 4.871 4.640 0.000 0.000 0.226 94 D C 0.999 177.295 176.300 -0.007 0.000 1.196 94 D CA -0.014 53.995 54.000 0.015 0.000 0.979 94 D CB 1.244 42.052 40.800 0.014 0.000 1.059 94 D HN 0.665 nan 8.370 nan 0.000 0.515 95 A N 3.547 126.353 122.820 -0.023 0.000 1.972 95 A HA -0.090 4.230 4.320 0.000 0.000 0.219 95 A C 2.080 179.614 177.584 -0.083 0.000 1.169 95 A CA 1.578 53.579 52.037 -0.061 0.000 0.635 95 A CB -0.311 18.640 19.000 -0.081 0.000 0.810 95 A HN 0.573 nan 8.150 nan 0.000 0.446 96 A N -1.678 121.095 122.820 -0.079 0.000 2.168 96 A HA 0.125 4.445 4.320 0.000 0.000 0.215 96 A C 2.176 179.740 177.584 -0.033 0.000 1.152 96 A CA 1.754 53.750 52.037 -0.068 0.000 0.716 96 A CB -0.323 18.646 19.000 -0.051 0.000 0.794 96 A HN 0.425 nan 8.150 nan 0.000 0.465 97 S N -1.428 114.256 115.700 -0.027 0.000 2.599 97 S HA 0.193 4.663 4.470 0.000 0.000 0.236 97 S C 0.890 175.478 174.600 -0.019 0.000 1.077 97 S CA -0.253 57.939 58.200 -0.014 0.000 0.906 97 S CB 0.180 63.378 63.200 -0.003 0.000 0.804 97 S HN 0.555 nan 8.310 nan 0.000 0.497 98 R N 2.085 122.570 120.500 -0.025 0.000 2.575 98 R HA 0.234 4.574 4.340 0.000 0.000 0.281 98 R C 0.556 176.823 176.300 -0.054 0.000 1.272 98 R CA 0.142 56.227 56.100 -0.026 0.000 1.417 98 R CB 0.583 30.878 30.300 -0.009 0.000 1.121 98 R HN 0.358 nan 8.270 nan 0.000 0.583 99 T N -2.338 112.178 114.554 -0.063 0.000 3.014 99 T HA 0.125 4.475 4.350 0.000 0.000 0.250 99 T C 0.668 175.308 174.700 -0.100 0.000 1.060 99 T CA -0.050 61.991 62.100 -0.099 0.000 1.040 99 T CB 0.398 69.219 68.868 -0.077 0.000 0.971 99 T HN 0.145 nan 8.240 nan 0.000 0.497 100 K N 1.302 121.661 120.400 -0.068 0.000 2.258 100 K HA 0.368 4.688 4.320 0.000 0.000 0.264 100 K C 1.148 177.711 176.600 -0.060 0.000 1.007 100 K CA -0.333 55.918 56.287 -0.060 0.000 0.941 100 K CB 1.561 34.034 32.500 -0.045 0.000 0.966 100 K HN -0.120 nan 8.250 nan 0.000 0.480 101 V N 1.647 121.530 119.914 -0.052 0.000 2.270 101 V HA -0.209 3.911 4.120 0.000 0.000 0.245 101 V C 1.913 177.989 176.094 -0.030 0.000 1.043 101 V CA 1.533 63.813 62.300 -0.033 0.000 1.014 101 V CB -0.479 31.341 31.823 -0.003 0.000 0.645 101 V HN 0.725 nan 8.190 nan 0.000 0.447 102 E N 0.309 120.491 120.200 -0.030 0.000 2.301 102 E HA -0.271 4.079 4.350 0.000 0.000 0.202 102 E C 1.790 178.381 176.600 -0.016 0.000 1.017 102 E CA 1.596 57.984 56.400 -0.021 0.000 0.831 102 E CB -0.299 29.388 29.700 -0.022 0.000 0.742 102 E HN 0.639 nan 8.360 nan 0.000 0.491 103 D N -0.950 119.437 120.400 -0.021 0.000 2.262 103 D HA -0.044 4.596 4.640 0.000 0.000 0.212 103 D C 2.040 178.332 176.300 -0.014 0.000 0.964 103 D CA 1.584 55.576 54.000 -0.013 0.000 0.875 103 D CB -0.025 40.765 40.800 -0.017 0.000 0.996 103 D HN 0.297 nan 8.370 nan 0.000 0.497 104 T N -1.709 112.824 114.554 -0.035 0.000 3.067 104 T HA 0.067 4.417 4.350 0.000 0.000 0.261 104 T C 1.867 176.540 174.700 -0.046 0.000 1.110 104 T CA 0.231 62.302 62.100 -0.048 0.000 1.113 104 T CB 0.147 68.963 68.868 -0.088 0.000 0.917 104 T HN -0.066 nan 8.240 nan 0.000 0.499 105 R N 0.844 121.325 120.500 -0.032 0.000 2.148 105 R HA -0.012 4.328 4.340 0.000 0.000 0.227 105 R C 1.848 178.138 176.300 -0.017 0.000 1.103 105 R CA 1.423 57.508 56.100 -0.026 0.000 0.983 105 R CB -0.152 30.139 30.300 -0.015 0.000 0.874 105 R HN 0.420 nan 8.270 nan 0.000 0.451 106 D N 0.696 121.094 120.400 -0.004 0.000 2.097 106 D HA -0.162 4.478 4.640 0.000 0.000 0.197 106 D C 1.865 178.177 176.300 0.020 0.000 0.984 106 D CA 0.578 54.586 54.000 0.015 0.000 0.826 106 D CB -0.270 40.548 40.800 0.030 0.000 0.973 106 D HN 0.036 nan 8.370 nan 0.000 0.460 107 L N 0.961 122.195 121.223 0.018 0.000 1.991 107 L HA -0.236 4.104 4.340 0.000 0.000 0.221 107 L C 2.262 179.106 176.870 -0.043 0.000 1.079 107 L CA 1.630 56.481 54.840 0.018 0.000 0.778 107 L CB -0.792 41.255 42.059 -0.019 0.000 0.893 107 L HN 0.133 nan 8.230 nan 0.000 0.437 108 L N -0.655 120.528 121.223 -0.067 0.000 2.046 108 L HA -0.233 4.107 4.340 0.000 0.000 0.208 108 L C 2.105 178.928 176.870 -0.078 0.000 1.077 108 L CA 1.459 56.251 54.840 -0.080 0.000 0.747 108 L CB -0.863 41.154 42.059 -0.071 0.000 0.896 108 L HN 0.267 nan 8.230 nan 0.000 0.432 109 D N -0.006 120.356 120.400 -0.064 0.000 2.309 109 D HA -0.121 4.520 4.640 0.000 0.000 0.212 109 D C 1.163 177.354 176.300 -0.183 0.000 0.968 109 D CA 0.851 54.792 54.000 -0.099 0.000 0.882 109 D CB -0.155 40.618 40.800 -0.045 0.000 0.918 109 D HN 0.219 nan 8.370 nan 0.000 0.503 110 N N -0.336 118.312 118.700 -0.087 0.000 2.328 110 N HA 0.078 4.819 4.740 0.000 0.000 0.247 110 N C 0.839 176.388 175.510 0.064 0.000 1.165 110 N CA 0.009 53.043 53.050 -0.027 0.000 0.873 110 N CB 1.303 39.883 38.487 0.155 0.000 1.125 110 N HN 0.024 nan 8.380 nan 0.000 0.513 111 V N 0.792 120.686 119.914 -0.033 0.000 2.672 111 V HA -0.127 3.993 4.120 0.000 0.000 0.242 111 V C 2.466 178.590 176.094 0.049 0.000 1.059 111 V CA 0.988 63.315 62.300 0.044 0.000 1.081 111 V CB -0.102 31.684 31.823 -0.061 0.000 0.752 111 V HN 0.345 nan 8.190 nan 0.000 0.472 112 Q N 0.257 120.013 119.800 -0.072 0.000 2.173 112 Q HA -0.230 4.110 4.340 0.000 0.000 0.208 112 Q C 0.524 176.638 176.000 0.191 0.000 0.989 112 Q CA 1.671 57.476 55.803 0.003 0.000 0.872 112 Q CB -0.707 27.942 28.738 -0.148 0.000 0.909 112 Q HN 0.646 nan 8.270 nan 0.000 0.420 113 Y N 1.438 121.860 120.300 0.203 0.000 2.511 113 Y HA 0.281 4.831 4.550 0.000 0.000 0.332 113 Y C 0.910 176.955 175.900 0.241 0.000 1.177 113 Y CA -0.812 57.384 58.100 0.160 0.000 1.422 113 Y CB 0.420 38.945 38.460 0.109 0.000 1.271 113 Y HN 0.223 nan 8.280 nan 0.000 0.550 114 A N 5.980 128.929 122.820 0.215 0.000 2.425 114 A HA 0.242 4.562 4.320 0.000 0.000 0.242 114 A C -2.158 175.506 177.584 0.134 0.000 1.077 114 A CA -1.378 50.661 52.037 0.003 0.000 0.781 114 A CB -0.425 18.485 19.000 -0.150 0.000 1.020 114 A HN 0.501 nan 8.150 nan 0.000 0.494 115 P HA 0.225 nan 4.420 nan 0.000 0.271 115 P C 0.607 177.926 177.300 0.031 0.000 1.218 115 P CA 0.463 63.632 63.100 0.115 0.000 0.780 115 P CB 1.149 32.930 31.700 0.136 0.000 0.901 116 A N 3.902 126.720 122.820 -0.003 0.000 1.825 116 A HA -0.098 4.222 4.320 0.000 0.000 0.214 116 A C 1.957 179.497 177.584 -0.073 0.000 1.206 116 A CA 1.359 53.364 52.037 -0.055 0.000 0.609 116 A CB -0.540 18.402 19.000 -0.097 0.000 0.851 116 A HN 0.570 nan 8.150 nan 0.000 0.445 117 R N -1.570 118.863 120.500 -0.111 0.000 2.549 117 R HA 0.236 4.577 4.340 0.000 0.000 0.399 117 R C 0.427 176.716 176.300 -0.019 0.000 0.964 117 R CA 0.404 56.445 56.100 -0.099 0.000 1.173 117 R CB 0.990 31.187 30.300 -0.171 0.000 1.535 117 R HN 0.546 nan 8.270 nan 0.000 0.551 118 G N -0.547 108.284 108.800 0.051 0.000 3.016 118 G HA2 0.194 4.154 3.960 0.000 0.000 0.270 118 G HA3 0.194 4.154 3.960 0.000 0.000 0.270 118 G C -0.047 174.917 174.900 0.107 0.000 1.352 118 G CA -0.459 44.777 45.100 0.226 0.000 1.060 118 G HN 0.108 nan 8.290 nan 0.000 0.538 119 R N -1.971 118.589 120.500 0.099 0.000 2.195 119 R HA 0.348 4.688 4.340 0.000 0.000 0.197 119 R C -0.550 175.593 176.300 -0.263 0.000 0.990 119 R CA 0.307 56.348 56.100 -0.098 0.000 1.048 119 R CB 0.132 30.363 30.300 -0.114 0.000 0.997 119 R HN 0.263 nan 8.270 nan 0.000 0.502 120 F N 1.023 121.035 119.950 0.103 0.000 2.551 120 F HA 0.434 4.961 4.527 0.000 0.000 0.316 120 F C -0.400 175.446 175.800 0.077 0.000 1.089 120 F CA -1.023 57.031 58.000 0.090 0.000 0.915 120 F CB 1.983 41.011 39.000 0.048 0.000 1.186 120 F HN -0.267 nan 8.300 nan 0.000 0.456 121 K N 2.420 122.965 120.400 0.240 0.000 2.284 121 K HA 0.523 4.843 4.320 0.000 0.000 0.287 121 K C -1.314 175.254 176.600 -0.053 0.000 1.081 121 K CA -0.237 56.080 56.287 0.050 0.000 0.910 121 K CB 0.698 33.211 32.500 0.020 0.000 1.088 121 K HN 0.439 nan 8.250 nan 0.000 0.478 122 V N 6.107 125.958 119.914 -0.105 0.000 2.334 122 V HA 0.205 4.325 4.120 0.000 0.000 0.281 122 V C -0.856 175.128 176.094 -0.184 0.000 1.016 122 V CA -0.882 61.357 62.300 -0.102 0.000 0.832 122 V CB 0.362 32.166 31.823 -0.032 0.000 0.999 122 V HN 0.578 nan 8.190 nan 0.000 0.439 123 Y N 4.972 125.278 120.300 0.011 0.000 2.336 123 Y HA 0.510 5.060 4.550 0.000 0.000 0.335 123 Y C 0.045 176.077 175.900 0.220 0.000 1.046 123 Y CA -0.634 57.562 58.100 0.160 0.000 1.198 123 Y CB 1.312 39.979 38.460 0.346 0.000 1.182 123 Y HN 0.495 nan 8.280 nan 0.000 0.502 124 L N 6.094 127.483 121.223 0.277 0.000 2.337 124 L HA 0.528 4.868 4.340 0.000 0.000 0.269 124 L C -1.271 175.726 176.870 0.212 0.000 1.018 124 L CA -0.717 54.259 54.840 0.227 0.000 0.876 124 L CB 0.077 42.219 42.059 0.138 0.000 1.236 124 L HN 0.494 nan 8.230 nan 0.000 0.436 125 I N 4.185 124.893 120.570 0.229 0.000 2.312 125 I HA 0.314 4.484 4.170 0.000 0.000 0.291 125 I C -0.217 175.976 176.117 0.126 0.000 1.031 125 I CA 0.147 61.540 61.300 0.155 0.000 1.293 125 I CB 0.979 39.054 38.000 0.125 0.000 1.403 125 I HN 0.515 nan 8.210 nan 0.000 0.484 126 D N 5.504 125.955 120.400 0.084 0.000 2.350 126 D HA 0.336 4.977 4.640 0.000 0.000 0.245 126 D C -0.073 176.233 176.300 0.009 0.000 1.036 126 D CA -0.002 54.039 54.000 0.069 0.000 0.848 126 D CB 1.124 41.963 40.800 0.065 0.000 1.307 126 D HN 0.363 nan 8.370 nan 0.000 0.469 127 E N 1.095 121.291 120.200 -0.007 0.000 2.868 127 E HA -0.162 4.188 4.350 0.000 0.000 0.278 127 E C 1.180 177.567 176.600 -0.354 0.000 1.009 127 E CA 0.448 56.747 56.400 -0.168 0.000 0.856 127 E CB -1.890 27.732 29.700 -0.130 0.000 1.428 127 E HN 0.325 nan 8.360 nan 0.000 0.423 128 V N 1.692 121.544 119.914 -0.103 0.000 2.660 128 V HA -0.284 3.836 4.120 0.000 0.000 0.257 128 V C 2.266 178.421 176.094 0.103 0.000 1.088 128 V CA 2.632 64.934 62.300 0.004 0.000 1.106 128 V CB -0.661 31.243 31.823 0.134 0.000 0.686 128 V HN 0.626 nan 8.190 nan 0.000 0.481 129 H N -2.103 117.100 119.070 0.222 0.000 2.563 129 H HA 0.021 4.577 4.556 0.000 0.000 0.272 129 H C 1.606 177.089 175.328 0.259 0.000 1.005 129 H CA 0.656 56.880 56.048 0.294 0.000 1.171 129 H CB -0.139 29.722 29.762 0.165 0.000 1.351 129 H HN 0.400 nan 8.280 nan 0.000 0.602 130 M N 0.954 120.516 119.600 -0.063 0.000 2.414 130 M HA 0.210 4.690 4.480 0.000 0.000 0.251 130 M C 0.701 176.951 176.300 -0.084 0.000 1.116 130 M CA -0.208 55.086 55.300 -0.010 0.000 1.056 130 M CB 0.136 32.663 32.600 -0.122 0.000 1.388 130 M HN 0.164 nan 8.290 nan 0.000 0.487 131 L N 1.817 122.870 121.223 -0.283 0.000 2.514 131 L HA -0.021 4.319 4.340 0.000 0.000 0.280 131 L C 1.095 177.682 176.870 -0.471 0.000 1.223 131 L CA -0.286 54.248 54.840 -0.510 0.000 0.864 131 L CB 0.170 41.670 42.059 -0.931 0.000 1.118 131 L HN 0.303 nan 8.230 nan 0.000 0.494 132 S N 2.867 118.411 115.700 -0.260 0.000 2.572 132 S HA -0.026 4.444 4.470 0.000 0.000 0.267 132 S C 1.117 175.697 174.600 -0.032 0.000 1.361 132 S CA -0.278 57.871 58.200 -0.085 0.000 1.009 132 S CB 0.693 63.873 63.200 -0.033 0.000 0.888 132 S HN 0.758 nan 8.310 nan 0.000 0.553 133 R N 0.245 120.838 120.500 0.155 0.000 2.105 133 R HA -0.185 4.155 4.340 0.000 0.000 0.239 133 R C 1.821 178.228 176.300 0.178 0.000 1.135 133 R CA 1.963 58.214 56.100 0.252 0.000 0.967 133 R CB -0.601 29.812 30.300 0.188 0.000 0.861 133 R HN 0.890 nan 8.270 nan 0.000 0.442 134 H N -0.714 118.373 119.070 0.029 0.000 2.428 134 H HA 0.069 4.625 4.556 0.000 0.000 0.296 134 H C 2.244 177.552 175.328 -0.032 0.000 1.062 134 H CA 1.786 57.837 56.048 0.005 0.000 1.350 134 H CB 0.170 29.925 29.762 -0.012 0.000 1.403 134 H HN 0.135 nan 8.280 nan 0.000 0.533 135 S N -0.461 115.248 115.700 0.015 0.000 2.356 135 S HA -0.138 4.332 4.470 0.000 0.000 0.223 135 S C 1.794 176.317 174.600 -0.128 0.000 1.032 135 S CA 1.073 59.202 58.200 -0.118 0.000 1.005 135 S CB -0.340 62.713 63.200 -0.245 0.000 0.867 135 S HN 0.309 nan 8.310 nan 0.000 0.449 136 F N 2.417 122.356 119.950 -0.019 0.000 2.043 136 F HA -0.206 4.321 4.527 0.000 0.000 0.297 136 F C 2.462 178.225 175.800 -0.062 0.000 1.118 136 F CA 1.339 59.311 58.000 -0.046 0.000 1.202 136 F CB -0.578 38.402 39.000 -0.033 0.000 0.965 136 F HN 0.252 nan 8.300 nan 0.000 0.482 137 N N 0.190 118.978 118.700 0.147 0.000 2.272 137 N HA -0.189 4.551 4.740 0.000 0.000 0.185 137 N C 1.858 177.368 175.510 -0.000 0.000 1.014 137 N CA 0.991 54.063 53.050 0.036 0.000 0.870 137 N CB -0.296 38.174 38.487 -0.029 0.000 0.975 137 N HN 0.293 nan 8.380 nan 0.000 0.433 138 A N 1.539 124.355 122.820 -0.006 0.000 1.930 138 A HA -0.029 4.291 4.320 0.000 0.000 0.217 138 A C 2.222 179.775 177.584 -0.052 0.000 1.175 138 A CA 0.672 52.693 52.037 -0.027 0.000 0.627 138 A CB -0.503 18.482 19.000 -0.026 0.000 0.815 138 A HN 0.168 nan 8.150 nan 0.000 0.443 139 L N -0.414 120.767 121.223 -0.070 0.000 2.275 139 L HA -0.141 4.199 4.340 0.000 0.000 0.215 139 L C 2.378 179.194 176.870 -0.090 0.000 1.119 139 L CA 0.442 55.207 54.840 -0.126 0.000 0.790 139 L CB -0.739 41.217 42.059 -0.172 0.000 0.919 139 L HN 0.387 nan 8.230 nan 0.000 0.443 140 L N 0.026 121.224 121.223 -0.042 0.000 1.978 140 L HA -0.285 4.055 4.340 0.000 0.000 0.218 140 L C 2.840 179.688 176.870 -0.036 0.000 1.075 140 L CA 1.598 56.419 54.840 -0.031 0.000 0.767 140 L CB -0.454 41.593 42.059 -0.020 0.000 0.890 140 L HN 0.302 nan 8.230 nan 0.000 0.434 141 K N -0.827 119.552 120.400 -0.036 0.000 2.103 141 K HA -0.064 4.256 4.320 0.000 0.000 0.204 141 K C 2.026 178.604 176.600 -0.037 0.000 1.052 141 K CA 1.565 57.833 56.287 -0.032 0.000 0.945 141 K CB -0.568 31.916 32.500 -0.027 0.000 0.722 141 K HN 0.367 nan 8.250 nan 0.000 0.443 142 T N 2.171 116.699 114.554 -0.044 0.000 2.770 142 T HA -0.089 4.261 4.350 0.000 0.000 0.263 142 T C 1.856 176.555 174.700 -0.002 0.000 1.039 142 T CA 0.584 62.672 62.100 -0.020 0.000 1.142 142 T CB -0.225 68.635 68.868 -0.012 0.000 0.868 142 T HN -0.026 nan 8.240 nan 0.000 0.435 143 L N 1.491 122.679 121.223 -0.059 0.000 2.187 143 L HA -0.071 4.269 4.340 0.000 0.000 0.213 143 L C 2.412 179.298 176.870 0.027 0.000 1.100 143 L CA 1.656 56.489 54.840 -0.012 0.000 0.765 143 L CB -0.495 41.522 42.059 -0.070 0.000 0.904 143 L HN 0.378 nan 8.230 nan 0.000 0.437 144 E N -0.572 119.615 120.200 -0.021 0.000 2.250 144 E HA -0.085 4.266 4.350 0.000 0.000 0.192 144 E C 0.290 176.797 176.600 -0.154 0.000 0.986 144 E CA 0.627 57.023 56.400 -0.006 0.000 0.849 144 E CB 0.255 29.960 29.700 0.009 0.000 0.797 144 E HN 0.562 nan 8.360 nan 0.000 0.482 145 E N 1.287 121.373 120.200 -0.189 0.000 4.230 145 E HA 0.222 4.572 4.350 0.000 0.000 0.218 145 E C -2.518 173.991 176.600 -0.151 0.000 1.140 145 E CA -1.401 54.890 56.400 -0.182 0.000 1.405 145 E CB 1.499 31.152 29.700 -0.078 0.000 1.193 145 E HN 0.221 nan 8.360 nan 0.000 0.423 146 P HA 0.167 nan 4.420 nan 0.000 0.273 146 P C -2.455 174.807 177.300 -0.064 0.000 1.250 146 P CA -1.158 61.888 63.100 -0.090 0.000 0.793 146 P CB -0.182 31.468 31.700 -0.084 0.000 1.011 147 P HA -0.026 nan 4.420 nan 0.000 0.268 147 P C 0.848 178.194 177.300 0.076 0.000 1.208 147 P CA 0.114 63.245 63.100 0.053 0.000 0.777 147 P CB 0.245 31.958 31.700 0.021 0.000 0.875 148 E N 1.256 121.566 120.200 0.183 0.000 2.338 148 E HA -0.228 4.122 4.350 0.000 0.000 0.197 148 E C 0.888 177.650 176.600 0.271 0.000 1.007 148 E CA 0.972 57.485 56.400 0.188 0.000 0.849 148 E CB -0.552 29.239 29.700 0.152 0.000 0.774 148 E HN 0.581 nan 8.360 nan 0.000 0.506 149 H N -0.008 119.139 119.070 0.129 0.000 2.519 149 H HA 0.370 4.926 4.556 0.000 0.000 0.289 149 H C -0.328 175.169 175.328 0.283 0.000 1.040 149 H CA -0.389 55.751 56.048 0.154 0.000 1.165 149 H CB -0.192 29.592 29.762 0.037 0.000 1.462 149 H HN -0.027 nan 8.280 nan 0.000 0.555 150 V N 1.950 121.860 119.914 -0.006 0.000 2.656 150 V HA 0.353 4.473 4.120 0.000 0.000 0.307 150 V C -0.595 175.444 176.094 -0.091 0.000 1.051 150 V CA -0.881 61.333 62.300 -0.143 0.000 0.893 150 V CB 2.321 33.930 31.823 -0.357 0.000 0.999 150 V HN 0.169 nan 8.190 nan 0.000 0.426 151 K N 4.009 124.320 120.400 -0.148 0.000 2.378 151 K HA 0.585 4.905 4.320 0.000 0.000 0.252 151 K C -1.381 175.131 176.600 -0.147 0.000 0.931 151 K CA -0.305 55.924 56.287 -0.096 0.000 0.794 151 K CB 2.322 34.754 32.500 -0.113 0.000 1.181 151 K HN 0.480 nan 8.250 nan 0.000 0.425 152 F N 2.778 122.880 119.950 0.253 0.000 2.402 152 F HA 0.405 4.932 4.527 0.000 0.000 0.355 152 F C 0.236 176.187 175.800 0.253 0.000 1.123 152 F CA -0.861 57.288 58.000 0.248 0.000 1.021 152 F CB 1.094 40.210 39.000 0.192 0.000 1.160 152 F HN 0.073 nan 8.300 nan 0.000 0.451 153 L N 6.229 127.716 121.223 0.440 0.000 2.295 153 L HA 0.468 4.808 4.340 0.000 0.000 0.281 153 L C -0.796 176.282 176.870 0.346 0.000 1.018 153 L CA -0.495 54.572 54.840 0.379 0.000 0.841 153 L CB 0.960 43.219 42.059 0.334 0.000 1.218 153 L HN 0.505 nan 8.230 nan 0.000 0.424 154 L N 3.337 124.734 121.223 0.290 0.000 2.309 154 L HA 0.842 5.182 4.340 0.000 0.000 0.282 154 L C 0.112 177.144 176.870 0.270 0.000 1.036 154 L CA -0.434 54.545 54.840 0.233 0.000 0.806 154 L CB 1.730 43.885 42.059 0.159 0.000 1.220 154 L HN 0.633 nan 8.230 nan 0.000 0.429 155 A N 1.887 124.855 122.820 0.246 0.000 2.449 155 A HA 0.839 5.159 4.320 0.000 0.000 0.302 155 A C -0.642 177.063 177.584 0.202 0.000 1.048 155 A CA -0.493 51.701 52.037 0.261 0.000 0.708 155 A CB 2.197 21.352 19.000 0.259 0.000 1.274 155 A HN 0.580 nan 8.150 nan 0.000 0.410 156 T N 0.012 114.699 114.554 0.222 0.000 2.942 156 T HA 0.422 4.772 4.350 0.000 0.000 0.327 156 T C 0.991 175.833 174.700 0.237 0.000 1.360 156 T CA 0.385 62.646 62.100 0.268 0.000 1.055 156 T CB 1.113 70.193 68.868 0.354 0.000 1.261 156 T HN 0.719 nan 8.240 nan 0.000 0.485 157 T N 1.617 116.315 114.554 0.239 0.000 2.833 157 T HA 0.003 4.353 4.350 0.000 0.000 0.269 157 T C 0.501 175.256 174.700 0.092 0.000 1.054 157 T CA 1.247 63.428 62.100 0.134 0.000 1.135 157 T CB -0.133 68.793 68.868 0.096 0.000 0.869 157 T HN 0.586 nan 8.240 nan 0.000 0.466 158 D N 0.846 121.287 120.400 0.068 0.000 2.429 158 D HA 0.237 4.877 4.640 0.000 0.000 0.255 158 D C -2.279 174.031 176.300 0.017 0.000 1.257 158 D CA -2.230 51.746 54.000 -0.040 0.000 0.890 158 D CB 1.398 42.026 40.800 -0.287 0.000 1.267 158 D HN 0.010 nan 8.370 nan 0.000 0.521 159 P HA -0.030 nan 4.420 nan 0.000 0.235 159 P C 1.478 178.766 177.300 -0.020 0.000 1.177 159 P CA 0.273 63.396 63.100 0.039 0.000 0.785 159 P CB 0.565 32.291 31.700 0.044 0.000 0.885 160 Q N 1.120 120.904 119.800 -0.028 0.000 2.165 160 Q HA -0.233 4.107 4.340 0.000 0.000 0.215 160 Q C 1.821 177.786 176.000 -0.057 0.000 1.010 160 Q CA 1.872 57.648 55.803 -0.045 0.000 0.896 160 Q CB -0.708 28.007 28.738 -0.039 0.000 0.956 160 Q HN 0.453 nan 8.270 nan 0.000 0.413 161 K N 0.068 120.443 120.400 -0.041 0.000 2.366 161 K HA 0.074 4.394 4.320 0.000 0.000 0.198 161 K C 0.803 177.321 176.600 -0.137 0.000 1.044 161 K CA 0.030 56.298 56.287 -0.032 0.000 0.973 161 K CB 0.032 32.561 32.500 0.049 0.000 0.767 161 K HN 0.181 nan 8.250 nan 0.000 0.475 162 L N 2.849 123.940 121.223 -0.220 0.000 2.426 162 L HA 0.139 4.479 4.340 0.000 0.000 0.271 162 L C -2.154 174.456 176.870 -0.434 0.000 1.169 162 L CA -2.189 52.328 54.840 -0.538 0.000 0.836 162 L CB -0.271 41.560 42.059 -0.380 0.000 1.112 162 L HN -0.185 nan 8.230 nan 0.000 0.465 163 P HA -0.109 nan 4.420 nan 0.000 0.265 163 P C 0.687 177.857 177.300 -0.217 0.000 1.187 163 P CA 0.077 62.996 63.100 -0.301 0.000 0.766 163 P CB 0.686 32.218 31.700 -0.280 0.000 0.820 164 V N 2.859 122.688 119.914 -0.143 0.000 3.078 164 V HA -0.186 3.934 4.120 0.000 0.000 0.265 164 V C 1.511 177.546 176.094 -0.099 0.000 1.122 164 V CA 2.719 64.952 62.300 -0.112 0.000 1.141 164 V CB -1.295 30.477 31.823 -0.085 0.000 0.735 164 V HN 0.704 nan 8.190 nan 0.000 0.498 165 T N -1.119 113.376 114.554 -0.097 0.000 2.942 165 T HA 0.012 4.362 4.350 0.000 0.000 0.265 165 T C 1.886 176.543 174.700 -0.072 0.000 1.062 165 T CA 1.239 63.297 62.100 -0.072 0.000 1.139 165 T CB -0.189 68.644 68.868 -0.058 0.000 0.883 165 T HN 0.378 nan 8.240 nan 0.000 0.468 166 I N 1.235 121.743 120.570 -0.103 0.000 2.315 166 I HA -0.011 4.159 4.170 0.000 0.000 0.248 166 I C 2.377 178.442 176.117 -0.087 0.000 1.117 166 I CA 0.964 62.210 61.300 -0.090 0.000 1.404 166 I CB -0.929 36.993 38.000 -0.130 0.000 1.071 166 I HN 0.264 nan 8.210 nan 0.000 0.419 167 L N 0.282 121.438 121.223 -0.111 0.000 1.961 167 L HA -0.237 4.103 4.340 0.000 0.000 0.210 167 L C 2.731 179.541 176.870 -0.099 0.000 1.072 167 L CA 1.703 56.478 54.840 -0.108 0.000 0.749 167 L CB -0.975 41.018 42.059 -0.111 0.000 0.889 167 L HN 0.197 nan 8.230 nan 0.000 0.432 168 S N -0.166 115.485 115.700 -0.082 0.000 2.448 168 S HA -0.318 4.152 4.470 0.000 0.000 0.250 168 S C 2.009 176.580 174.600 -0.048 0.000 1.088 168 S CA 1.953 60.114 58.200 -0.064 0.000 1.058 168 S CB -0.270 62.902 63.200 -0.047 0.000 0.873 168 S HN 0.378 nan 8.310 nan 0.000 0.473 169 R N -1.094 119.386 120.500 -0.033 0.000 2.334 169 R HA 0.268 4.608 4.340 0.000 0.000 0.216 169 R C 0.126 176.440 176.300 0.024 0.000 0.905 169 R CA 0.136 56.253 56.100 0.029 0.000 1.064 169 R CB 0.178 30.511 30.300 0.054 0.000 1.046 169 R HN 0.365 nan 8.270 nan 0.000 0.508 170 C N 0.274 119.505 119.300 -0.116 0.000 2.595 170 C HA 0.478 4.938 4.460 0.000 0.000 0.338 170 C C 0.141 174.825 174.990 -0.511 0.000 1.219 170 C CA -1.204 57.649 59.018 -0.276 0.000 1.811 170 C CB 1.317 28.933 27.740 -0.206 0.000 2.313 170 C HN 0.246 nan 8.230 nan 0.000 0.499 171 L N 1.958 122.672 121.223 -0.847 0.000 2.331 171 L HA 0.374 4.715 4.340 0.000 0.000 0.278 171 L C 0.151 176.560 176.870 -0.768 0.000 1.106 171 L CA 0.354 54.661 54.840 -0.889 0.000 0.824 171 L CB 0.523 41.874 42.059 -1.180 0.000 1.142 171 L HN 0.714 nan 8.230 nan 0.000 0.443 172 Q N 3.167 122.579 119.800 -0.648 0.000 2.348 172 Q HA 0.405 4.745 4.340 0.000 0.000 0.265 172 Q C -1.607 174.129 176.000 -0.440 0.000 0.998 172 Q CA -0.645 54.892 55.803 -0.442 0.000 0.831 172 Q CB 1.157 29.760 28.738 -0.225 0.000 1.251 172 Q HN 0.367 nan 8.270 nan 0.000 0.456 173 F N 2.567 122.494 119.950 -0.038 0.000 2.388 173 F HA 0.238 4.765 4.527 0.000 0.000 0.358 173 F C -0.070 175.856 175.800 0.210 0.000 1.122 173 F CA -0.754 57.309 58.000 0.105 0.000 1.056 173 F CB 0.972 40.058 39.000 0.144 0.000 1.155 173 F HN 0.566 nan 8.300 nan 0.000 0.461 174 H N 4.295 123.552 119.070 0.311 0.000 2.640 174 H HA 0.429 4.985 4.556 0.000 0.000 0.297 174 H C -0.656 174.861 175.328 0.315 0.000 1.073 174 H CA -0.415 55.778 56.048 0.243 0.000 1.305 174 H CB 0.517 30.369 29.762 0.149 0.000 1.404 174 H HN 0.506 nan 8.280 nan 0.000 0.459 175 L N 5.418 126.605 121.223 -0.061 0.000 2.367 175 L HA 0.188 4.529 4.340 0.000 0.000 0.275 175 L C 0.690 177.444 176.870 -0.193 0.000 1.129 175 L CA -0.258 54.542 54.840 -0.066 0.000 0.839 175 L CB 0.639 42.646 42.059 -0.088 0.000 1.133 175 L HN 0.618 nan 8.230 nan 0.000 0.453 176 K N 1.778 122.201 120.400 0.040 0.000 2.180 176 K HA 0.424 4.744 4.320 0.000 0.000 0.251 176 K C 0.117 176.708 176.600 -0.014 0.000 1.014 176 K CA -0.533 55.772 56.287 0.030 0.000 0.913 176 K CB 0.700 33.269 32.500 0.115 0.000 1.008 176 K HN 0.707 nan 8.250 nan 0.000 0.490 177 A N 1.701 124.520 122.820 -0.002 0.000 2.322 177 A HA 0.286 4.606 4.320 0.000 0.000 0.269 177 A C -0.213 177.371 177.584 -0.001 0.000 1.094 177 A CA -0.552 51.482 52.037 -0.006 0.000 0.807 177 A CB 0.117 19.120 19.000 0.005 0.000 1.047 177 A HN 0.601 nan 8.150 nan 0.000 0.487 178 L N 1.705 122.923 121.223 -0.009 0.000 2.367 178 L HA 0.131 4.471 4.340 0.000 0.000 0.275 178 L C 0.300 177.167 176.870 -0.005 0.000 1.129 178 L CA -0.501 54.333 54.840 -0.010 0.000 0.839 178 L CB 0.621 42.668 42.059 -0.019 0.000 1.133 178 L HN 0.767 nan 8.230 nan 0.000 0.453 179 D N 2.140 122.538 120.400 -0.003 0.000 2.488 179 D HA -0.027 4.613 4.640 0.000 0.000 0.238 179 D C 1.169 177.467 176.300 -0.004 0.000 1.138 179 D CA -0.160 53.839 54.000 -0.003 0.000 0.873 179 D CB 1.326 42.123 40.800 -0.004 0.000 1.183 179 D HN 0.272 nan 8.370 nan 0.000 0.458 180 V N 3.306 123.218 119.914 -0.003 0.000 2.252 180 V HA -0.343 3.777 4.120 0.000 0.000 0.255 180 V C 2.235 178.329 176.094 -0.000 0.000 1.071 180 V CA 2.537 64.835 62.300 -0.003 0.000 1.050 180 V CB -1.069 30.753 31.823 -0.002 0.000 0.654 180 V HN 0.711 nan 8.190 nan 0.000 0.448 181 E N 0.259 120.459 120.200 -0.001 0.000 2.072 181 E HA -0.216 4.134 4.350 0.000 0.000 0.191 181 E C 2.234 178.843 176.600 0.015 0.000 0.985 181 E CA 1.619 58.021 56.400 0.005 0.000 0.801 181 E CB -0.450 29.245 29.700 -0.008 0.000 0.750 181 E HN 0.688 nan 8.360 nan 0.000 0.452 182 Q N -0.006 119.795 119.800 0.001 0.000 2.096 182 Q HA -0.216 4.124 4.340 0.000 0.000 0.208 182 Q C 2.359 178.369 176.000 0.017 0.000 0.993 182 Q CA 2.076 57.883 55.803 0.006 0.000 0.862 182 Q CB -0.339 28.393 28.738 -0.009 0.000 0.915 182 Q HN 0.451 nan 8.270 nan 0.000 0.416 183 I N -0.105 120.465 120.570 0.001 0.000 2.252 183 I HA -0.255 3.916 4.170 0.000 0.000 0.245 183 I C 2.675 178.781 176.117 -0.018 0.000 1.102 183 I CA 0.921 62.212 61.300 -0.015 0.000 1.385 183 I CB -0.367 37.622 38.000 -0.019 0.000 1.064 183 I HN 0.192 nan 8.210 nan 0.000 0.414 184 R N 0.289 120.789 120.500 -0.000 0.000 2.073 184 R HA -0.224 4.116 4.340 0.000 0.000 0.234 184 R C 2.562 178.863 176.300 0.003 0.000 1.134 184 R CA 1.645 57.741 56.100 -0.007 0.000 0.952 184 R CB -0.547 29.760 30.300 0.011 0.000 0.850 184 R HN 0.453 nan 8.270 nan 0.000 0.433 185 H N 0.090 119.128 119.070 -0.053 0.000 2.289 185 H HA -0.228 4.328 4.556 0.000 0.000 0.296 185 H C 2.078 177.366 175.328 -0.067 0.000 1.091 185 H CA 2.400 58.418 56.048 -0.051 0.000 1.274 185 H CB 0.149 29.884 29.762 -0.045 0.000 1.364 185 H HN 0.255 nan 8.280 nan 0.000 0.490 186 Q N 0.831 120.599 119.800 -0.053 0.000 2.096 186 Q HA -0.119 4.221 4.340 0.000 0.000 0.204 186 Q C 2.642 178.522 176.000 -0.199 0.000 0.982 186 Q CA 1.617 57.338 55.803 -0.136 0.000 0.850 186 Q CB -0.417 28.267 28.738 -0.090 0.000 0.901 186 Q HN 0.553 nan 8.270 nan 0.000 0.422 187 L N 0.051 121.167 121.223 -0.178 0.000 2.046 187 L HA -0.181 4.159 4.340 0.000 0.000 0.208 187 L C 2.532 179.212 176.870 -0.317 0.000 1.077 187 L CA 1.714 56.417 54.840 -0.229 0.000 0.747 187 L CB -0.483 41.475 42.059 -0.168 0.000 0.896 187 L HN 0.412 nan 8.230 nan 0.000 0.432 188 E N -0.432 119.593 120.200 -0.292 0.000 2.023 188 E HA -0.324 4.026 4.350 0.000 0.000 0.196 188 E C 2.275 178.665 176.600 -0.350 0.000 1.003 188 E CA 1.592 57.782 56.400 -0.351 0.000 0.809 188 E CB -0.211 29.360 29.700 -0.214 0.000 0.755 188 E HN 0.449 nan 8.360 nan 0.000 0.449 189 H N 0.721 119.538 119.070 -0.422 0.000 2.289 189 H HA -0.168 4.388 4.556 0.000 0.000 0.296 189 H C 2.193 177.249 175.328 -0.454 0.000 1.091 189 H CA 2.209 58.017 56.048 -0.400 0.000 1.274 189 H CB -0.201 29.318 29.762 -0.405 0.000 1.364 189 H HN 0.287 nan 8.280 nan 0.000 0.490 190 I N 0.637 120.851 120.570 -0.594 0.000 2.226 190 I HA -0.284 3.886 4.170 0.000 0.000 0.245 190 I C 2.729 178.507 176.117 -0.565 0.000 1.100 190 I CA 0.834 61.581 61.300 -0.921 0.000 1.374 190 I CB -0.298 37.075 38.000 -1.044 0.000 1.057 190 I HN 0.219 nan 8.210 nan 0.000 0.413 191 L N 0.494 121.455 121.223 -0.437 0.000 2.201 191 L HA -0.172 4.168 4.340 0.000 0.000 0.212 191 L C 2.200 178.939 176.870 -0.219 0.000 1.105 191 L CA 0.939 55.599 54.840 -0.299 0.000 0.775 191 L CB -0.658 41.167 42.059 -0.391 0.000 0.913 191 L HN 0.300 nan 8.230 nan 0.000 0.440 192 N N -0.226 118.300 118.700 -0.289 0.000 2.080 192 N HA -0.153 4.587 4.740 0.000 0.000 0.189 192 N C 1.819 177.105 175.510 -0.373 0.000 1.036 192 N CA 0.988 53.883 53.050 -0.258 0.000 0.846 192 N CB -0.137 38.206 38.487 -0.240 0.000 1.015 192 N HN 0.194 nan 8.380 nan 0.000 0.423 193 E N 1.086 121.060 120.200 -0.376 0.000 2.085 193 E HA -0.142 4.208 4.350 0.000 0.000 0.194 193 E C 1.435 178.011 176.600 -0.040 0.000 0.994 193 E CA 0.793 57.072 56.400 -0.201 0.000 0.801 193 E CB -0.149 29.564 29.700 0.022 0.000 0.743 193 E HN 0.399 nan 8.360 nan 0.000 0.453 194 E N 0.128 120.358 120.200 0.051 0.000 2.401 194 E HA -0.127 4.223 4.350 0.000 0.000 0.199 194 E C -0.215 176.505 176.600 0.200 0.000 1.023 194 E CA 0.354 56.857 56.400 0.173 0.000 0.859 194 E CB -0.262 29.530 29.700 0.154 0.000 0.780 194 E HN 0.386 nan 8.360 nan 0.000 0.523 195 H N -0.773 118.321 119.070 0.040 0.000 2.847 195 H HA -0.152 4.404 4.556 0.000 0.000 0.336 195 H C -0.275 175.076 175.328 0.038 0.000 1.221 195 H CA 0.657 56.725 56.048 0.033 0.000 1.162 195 H CB -2.028 27.752 29.762 0.030 0.000 1.566 195 H HN 0.155 nan 8.280 nan 0.000 0.430 196 I N 0.145 120.774 120.570 0.098 0.000 2.498 196 I HA 0.487 4.657 4.170 0.000 0.000 0.290 196 I C 0.852 177.051 176.117 0.136 0.000 1.032 196 I CA -0.753 60.604 61.300 0.095 0.000 1.073 196 I CB 2.007 40.046 38.000 0.064 0.000 1.251 196 I HN 0.322 nan 8.210 nan 0.000 0.426 197 A N 5.281 128.155 122.820 0.090 0.000 2.462 197 A HA 0.483 4.803 4.320 0.000 0.000 0.243 197 A C -0.464 177.182 177.584 0.103 0.000 1.076 197 A CA 0.423 52.488 52.037 0.046 0.000 0.773 197 A CB -0.212 18.789 19.000 0.000 0.000 1.010 197 A HN 0.963 nan 8.150 nan 0.000 0.493 198 H N -1.207 117.848 119.070 -0.025 0.000 3.064 198 H HA 0.632 5.188 4.556 0.000 0.000 0.352 198 H C -1.438 173.876 175.328 -0.025 0.000 1.260 198 H CA -0.862 55.169 56.048 -0.028 0.000 1.160 198 H CB 0.812 30.549 29.762 -0.041 0.000 1.879 198 H HN 0.509 nan 8.280 nan 0.000 0.544 199 E N 3.134 123.366 120.200 0.053 0.000 2.092 199 E HA 0.166 4.516 4.350 0.000 0.000 0.271 199 E C -2.026 174.618 176.600 0.073 0.000 0.919 199 E CA -2.154 54.250 56.400 0.007 0.000 0.760 199 E CB 1.593 31.291 29.700 -0.003 0.000 1.106 199 E HN 0.467 nan 8.360 nan 0.000 0.408 200 P HA -0.326 nan 4.420 nan 0.000 0.224 200 P C 1.301 178.631 177.300 0.051 0.000 1.130 200 P CA 1.715 64.860 63.100 0.076 0.000 0.976 200 P CB 0.168 31.890 31.700 0.037 0.000 0.781 201 R N -0.407 120.110 120.500 0.029 0.000 2.237 201 R HA 0.014 4.355 4.340 0.000 0.000 0.219 201 R C 1.858 178.167 176.300 0.016 0.000 1.080 201 R CA 1.612 57.722 56.100 0.018 0.000 0.995 201 R CB -1.095 29.211 30.300 0.009 0.000 0.875 201 R HN 0.148 nan 8.270 nan 0.000 0.462 202 A N 0.390 123.224 122.820 0.023 0.000 2.016 202 A HA 0.092 4.412 4.320 0.000 0.000 0.217 202 A C 2.017 179.607 177.584 0.010 0.000 1.162 202 A CA 0.710 52.757 52.037 0.017 0.000 0.662 202 A CB -0.255 18.759 19.000 0.024 0.000 0.812 202 A HN 0.345 nan 8.150 nan 0.000 0.450 203 L N -0.791 120.442 121.223 0.016 0.000 2.156 203 L HA -0.152 4.188 4.340 0.000 0.000 0.208 203 L C 2.701 179.567 176.870 -0.007 0.000 1.095 203 L CA 0.822 55.656 54.840 -0.010 0.000 0.770 203 L CB -0.541 41.507 42.059 -0.018 0.000 0.914 203 L HN 0.376 nan 8.230 nan 0.000 0.439 204 Q N 0.303 120.105 119.800 0.004 0.000 2.084 204 Q HA -0.140 4.200 4.340 0.000 0.000 0.202 204 Q C 2.352 178.351 176.000 -0.002 0.000 0.978 204 Q CA 1.461 57.266 55.803 0.003 0.000 0.844 204 Q CB -0.286 28.456 28.738 0.007 0.000 0.898 204 Q HN 0.529 nan 8.270 nan 0.000 0.426 205 L N -0.188 121.033 121.223 -0.002 0.000 2.093 205 L HA -0.145 4.195 4.340 0.000 0.000 0.208 205 L C 2.413 179.278 176.870 -0.008 0.000 1.085 205 L CA 0.703 55.540 54.840 -0.005 0.000 0.755 205 L CB -0.539 41.517 42.059 -0.006 0.000 0.904 205 L HN 0.172 nan 8.230 nan 0.000 0.435 206 L N -0.088 121.129 121.223 -0.011 0.000 2.093 206 L HA -0.159 4.181 4.340 0.000 0.000 0.208 206 L C 2.866 179.726 176.870 -0.016 0.000 1.085 206 L CA 1.102 55.933 54.840 -0.015 0.000 0.755 206 L CB -0.622 41.423 42.059 -0.023 0.000 0.904 206 L HN 0.225 nan 8.230 nan 0.000 0.435 207 A N -0.381 122.430 122.820 -0.015 0.000 1.929 207 A HA -0.132 4.188 4.320 0.000 0.000 0.216 207 A C 2.357 179.936 177.584 -0.008 0.000 1.176 207 A CA 0.916 52.945 52.037 -0.013 0.000 0.628 207 A CB -0.274 18.720 19.000 -0.011 0.000 0.816 207 A HN 0.211 nan 8.150 nan 0.000 0.444 208 R N -0.066 120.431 120.500 -0.006 0.000 2.088 208 R HA -0.123 4.217 4.340 0.000 0.000 0.232 208 R C 2.410 178.708 176.300 -0.003 0.000 1.136 208 R CA 1.620 57.718 56.100 -0.004 0.000 0.926 208 R CB -1.486 28.812 30.300 -0.003 0.000 0.837 208 R HN 0.493 nan 8.270 nan 0.000 0.429 209 A N 1.342 124.160 122.820 -0.004 0.000 2.076 209 A HA -0.085 4.235 4.320 0.000 0.000 0.220 209 A C 2.328 179.911 177.584 -0.002 0.000 1.160 209 A CA 1.752 53.787 52.037 -0.003 0.000 0.653 209 A CB -0.521 18.476 19.000 -0.005 0.000 0.801 209 A HN 0.410 nan 8.150 nan 0.000 0.455 210 A N -1.312 121.505 122.820 -0.004 0.000 2.019 210 A HA 0.016 4.336 4.320 0.000 0.000 0.219 210 A C 1.069 178.654 177.584 0.001 0.000 1.164 210 A CA 1.509 53.544 52.037 -0.004 0.000 0.644 210 A CB -0.385 18.609 19.000 -0.010 0.000 0.805 210 A HN 0.706 nan 8.150 nan 0.000 0.449 211 E N -3.383 116.818 120.200 0.002 0.000 2.476 211 E HA -0.212 4.138 4.350 0.000 0.000 0.251 211 E C 0.786 177.390 176.600 0.006 0.000 1.130 211 E CA 0.777 57.181 56.400 0.006 0.000 0.736 211 E CB -1.650 28.056 29.700 0.010 0.000 1.298 211 E HN 1.635 nan 8.360 nan 0.000 0.400 212 G N -1.049 107.752 108.800 0.002 0.000 2.176 212 G HA2 -0.307 3.654 3.960 0.000 0.000 0.232 212 G HA3 -0.307 3.654 3.960 0.000 0.000 0.232 212 G C 0.076 174.973 174.900 -0.004 0.000 0.986 212 G CA 0.384 45.484 45.100 0.001 0.000 0.643 212 G HN 0.960 nan 8.290 nan 0.000 0.522 213 S N -0.200 115.497 115.700 -0.004 0.000 2.498 213 S HA 0.667 5.137 4.470 0.000 0.000 0.317 213 S C 1.459 176.052 174.600 -0.011 0.000 1.090 213 S CA -0.252 57.944 58.200 -0.007 0.000 1.089 213 S CB 1.347 64.547 63.200 -0.000 0.000 0.997 213 S HN 0.408 nan 8.310 nan 0.000 0.470 214 L N 3.962 125.175 121.223 -0.017 0.000 2.079 214 L HA -0.087 4.253 4.340 0.000 0.000 0.210 214 L C 2.745 179.607 176.870 -0.013 0.000 1.081 214 L CA 1.586 56.413 54.840 -0.021 0.000 0.752 214 L CB -0.235 41.808 42.059 -0.026 0.000 0.896 214 L HN 0.778 nan 8.230 nan 0.000 0.433 215 R N 0.004 120.501 120.500 -0.006 0.000 2.057 215 R HA -0.178 4.162 4.340 0.000 0.000 0.229 215 R C 1.891 178.193 176.300 0.003 0.000 1.136 215 R CA 1.845 57.946 56.100 0.003 0.000 0.952 215 R CB -0.293 30.012 30.300 0.007 0.000 0.848 215 R HN 0.157 nan 8.270 nan 0.000 0.430 216 D N 0.168 120.570 120.400 0.003 0.000 2.191 216 D HA -0.249 4.391 4.640 0.000 0.000 0.190 216 D C 1.689 177.988 176.300 -0.001 0.000 1.007 216 D CA 2.214 56.216 54.000 0.004 0.000 0.865 216 D CB -0.298 40.505 40.800 0.005 0.000 0.929 216 D HN 0.479 nan 8.370 nan 0.000 0.447 217 A N -0.165 122.649 122.820 -0.009 0.000 1.898 217 A HA -0.074 4.246 4.320 0.000 0.000 0.216 217 A C 2.321 179.892 177.584 -0.022 0.000 1.181 217 A CA 0.822 52.848 52.037 -0.018 0.000 0.620 217 A CB -0.620 18.364 19.000 -0.027 0.000 0.819 217 A HN 0.260 nan 8.150 nan 0.000 0.442 218 L N -0.618 120.594 121.223 -0.019 0.000 2.201 218 L HA -0.097 4.243 4.340 0.000 0.000 0.212 218 L C 2.642 179.515 176.870 0.005 0.000 1.105 218 L CA 1.216 56.047 54.840 -0.016 0.000 0.775 218 L CB -0.291 41.766 42.059 -0.003 0.000 0.913 218 L HN 0.334 nan 8.230 nan 0.000 0.440 219 S N -0.207 115.499 115.700 0.009 0.000 2.414 219 S HA -0.011 4.459 4.470 0.000 0.000 0.227 219 S C 1.950 176.558 174.600 0.015 0.000 1.022 219 S CA 0.639 58.850 58.200 0.019 0.000 0.958 219 S CB 0.024 63.235 63.200 0.019 0.000 0.797 219 S HN 0.270 nan 8.310 nan 0.000 0.493 220 L N 0.913 122.139 121.223 0.005 0.000 2.046 220 L HA -0.123 4.217 4.340 0.000 0.000 0.208 220 L C 2.617 179.487 176.870 0.000 0.000 1.077 220 L CA 1.199 56.041 54.840 0.002 0.000 0.747 220 L CB -0.983 41.073 42.059 -0.004 0.000 0.896 220 L HN 0.285 nan 8.230 nan 0.000 0.432 221 T N -1.291 113.258 114.554 -0.007 0.000 2.746 221 T HA -0.224 4.126 4.350 0.000 0.000 0.267 221 T C 1.593 176.298 174.700 0.007 0.000 1.039 221 T CA 1.467 63.559 62.100 -0.013 0.000 1.142 221 T CB -0.235 68.611 68.868 -0.037 0.000 0.866 221 T HN 0.298 nan 8.240 nan 0.000 0.444 222 D N 0.616 121.031 120.400 0.024 0.000 2.219 222 D HA -0.087 4.553 4.640 0.000 0.000 0.205 222 D C 2.172 178.495 176.300 0.038 0.000 0.970 222 D CA 0.824 54.854 54.000 0.050 0.000 0.851 222 D CB -0.106 40.739 40.800 0.076 0.000 0.943 222 D HN 0.496 nan 8.370 nan 0.000 0.488 223 Q N -0.039 119.776 119.800 0.026 0.000 2.123 223 Q HA -0.094 4.246 4.340 0.000 0.000 0.199 223 Q C 2.007 178.014 176.000 0.012 0.000 0.966 223 Q CA 1.235 57.050 55.803 0.019 0.000 0.845 223 Q CB 0.018 28.765 28.738 0.014 0.000 0.907 223 Q HN 0.176 nan 8.270 nan 0.000 0.439 224 A N 1.337 124.162 122.820 0.009 0.000 1.883 224 A HA -0.191 4.129 4.320 0.000 0.000 0.217 224 A C 1.983 179.572 177.584 0.008 0.000 1.186 224 A CA 1.598 53.638 52.037 0.005 0.000 0.624 224 A CB -0.803 18.198 19.000 0.002 0.000 0.822 224 A HN 0.511 nan 8.150 nan 0.000 0.444 225 I N -0.381 120.197 120.570 0.013 0.000 2.361 225 I HA -0.255 3.915 4.170 0.000 0.000 0.251 225 I C 2.855 178.976 176.117 0.007 0.000 1.133 225 I CA 1.006 62.315 61.300 0.014 0.000 1.413 225 I CB -0.624 37.389 38.000 0.022 0.000 1.073 225 I HN 0.373 nan 8.210 nan 0.000 0.424 226 A N 1.599 124.424 122.820 0.009 0.000 1.832 226 A HA -0.186 4.134 4.320 0.000 0.000 0.214 226 A C 2.570 180.154 177.584 0.000 0.000 1.204 226 A CA 2.099 54.138 52.037 0.003 0.000 0.606 226 A CB -1.008 17.996 19.000 0.007 0.000 0.849 226 A HN 0.488 nan 8.150 nan 0.000 0.445 227 S N -0.339 115.362 115.700 0.002 0.000 2.400 227 S HA -0.019 4.451 4.470 0.000 0.000 0.232 227 S C 1.859 176.458 174.600 -0.002 0.000 1.025 227 S CA 1.338 59.537 58.200 -0.001 0.000 0.993 227 S CB -1.020 62.179 63.200 -0.002 0.000 0.808 227 S HN 0.761 nan 8.310 nan 0.000 0.478 228 G N 0.354 109.154 108.800 -0.000 0.000 2.650 228 G HA2 0.095 4.055 3.960 0.000 0.000 0.214 228 G HA3 0.095 4.055 3.960 0.000 0.000 0.214 228 G C 0.387 175.286 174.900 -0.001 0.000 1.136 228 G CA 0.551 45.651 45.100 -0.000 0.000 0.789 228 G HN 0.481 nan 8.290 nan 0.000 0.536 229 D N -2.362 118.037 120.400 -0.003 0.000 3.103 229 D HA -0.135 4.505 4.640 0.000 0.000 0.211 229 D C 1.416 177.713 176.300 -0.005 0.000 1.100 229 D CA 1.910 55.907 54.000 -0.005 0.000 0.961 229 D CB -1.343 39.454 40.800 -0.006 0.000 1.093 229 D HN 0.947 nan 8.370 nan 0.000 0.427 230 G N -1.160 107.640 108.800 -0.001 0.000 2.905 230 G HA2 -0.174 3.786 3.960 0.000 0.000 0.196 230 G HA3 -0.174 3.786 3.960 0.000 0.000 0.196 230 G C 0.126 175.034 174.900 0.013 0.000 1.044 230 G CA 0.156 45.258 45.100 0.004 0.000 0.778 230 G HN 0.413 nan 8.290 nan 0.000 0.474 231 Q N 0.051 119.859 119.800 0.012 0.000 2.226 231 Q HA 0.640 4.980 4.340 0.000 0.000 0.256 231 Q C -0.656 175.358 176.000 0.023 0.000 0.962 231 Q CA -0.671 55.143 55.803 0.020 0.000 0.887 231 Q CB 2.987 31.732 28.738 0.011 0.000 1.282 231 Q HN 0.089 nan 8.270 nan 0.000 0.449 232 V N 2.733 122.670 119.914 0.038 0.000 2.247 232 V HA 0.124 4.244 4.120 0.000 0.000 0.262 232 V C -0.080 176.038 176.094 0.039 0.000 1.096 232 V CA -0.134 62.188 62.300 0.037 0.000 0.895 232 V CB 0.295 32.145 31.823 0.045 0.000 1.141 232 V HN 0.786 nan 8.190 nan 0.000 0.478 233 S N 2.451 118.163 115.700 0.020 0.000 2.687 233 S HA 0.314 4.784 4.470 0.000 0.000 0.283 233 S C 1.227 175.833 174.600 0.009 0.000 1.170 233 S CA -0.179 58.028 58.200 0.012 0.000 1.008 233 S CB 1.640 64.841 63.200 0.002 0.000 1.026 233 S HN 0.478 nan 8.310 nan 0.000 0.541 234 T N 1.672 116.229 114.554 0.006 0.000 2.746 234 T HA -0.134 4.216 4.350 0.000 0.000 0.267 234 T C 1.939 176.637 174.700 -0.003 0.000 1.039 234 T CA 1.679 63.780 62.100 0.002 0.000 1.142 234 T CB -0.463 68.405 68.868 -0.000 0.000 0.866 234 T HN 0.639 nan 8.240 nan 0.000 0.444 235 Q N 0.642 120.439 119.800 -0.005 0.000 2.014 235 Q HA -0.180 4.160 4.340 0.000 0.000 0.207 235 Q C 2.761 178.755 176.000 -0.010 0.000 0.993 235 Q CA 1.795 57.593 55.803 -0.009 0.000 0.850 235 Q CB -0.450 28.283 28.738 -0.009 0.000 0.916 235 Q HN 0.580 nan 8.270 nan 0.000 0.417 236 A N 0.575 123.391 122.820 -0.007 0.000 1.828 236 A HA -0.162 4.158 4.320 0.000 0.000 0.215 236 A C 2.396 179.975 177.584 -0.008 0.000 1.203 236 A CA 1.656 53.688 52.037 -0.007 0.000 0.614 236 A CB -1.142 17.856 19.000 -0.003 0.000 0.844 236 A HN 0.212 nan 8.150 nan 0.000 0.445 237 V N 1.216 121.127 119.914 -0.005 0.000 2.236 237 V HA -0.358 3.762 4.120 0.000 0.000 0.255 237 V C 3.015 179.101 176.094 -0.013 0.000 1.068 237 V CA 2.960 65.256 62.300 -0.007 0.000 1.044 237 V CB -1.109 30.711 31.823 -0.004 0.000 0.653 237 V HN 0.868 nan 8.190 nan 0.000 0.448 238 S N 0.199 115.891 115.700 -0.014 0.000 2.469 238 S HA -0.087 4.384 4.470 0.000 0.000 0.238 238 S C 1.832 176.415 174.600 -0.028 0.000 0.998 238 S CA 1.314 59.502 58.200 -0.020 0.000 0.957 238 S CB -0.359 62.830 63.200 -0.018 0.000 0.764 238 S HN 0.664 nan 8.310 nan 0.000 0.514 239 A N 1.287 124.092 122.820 -0.025 0.000 2.030 239 A HA 0.398 4.718 4.320 0.000 0.000 0.215 239 A C 2.115 179.680 177.584 -0.032 0.000 1.164 239 A CA 0.787 52.805 52.037 -0.031 0.000 0.697 239 A CB -0.457 18.528 19.000 -0.025 0.000 0.827 239 A HN 0.606 nan 8.150 nan 0.000 0.457 240 M N -0.904 118.681 119.600 -0.024 0.000 2.287 240 M HA 0.157 4.637 4.480 0.000 0.000 0.266 240 M C 1.440 177.726 176.300 -0.024 0.000 1.079 240 M CA 1.286 56.574 55.300 -0.021 0.000 1.146 240 M CB -0.093 32.500 32.600 -0.013 0.000 1.374 240 M HN 0.304 nan 8.290 nan 0.000 0.435 241 L N 0.334 121.542 121.223 -0.024 0.000 2.313 241 L HA 0.093 4.433 4.340 0.000 0.000 0.214 241 L C 1.360 178.207 176.870 -0.038 0.000 1.119 241 L CA 0.885 55.710 54.840 -0.025 0.000 0.809 241 L CB -0.414 41.633 42.059 -0.020 0.000 0.933 241 L HN 0.733 nan 8.230 nan 0.000 0.449 242 G N -0.001 108.769 108.800 -0.050 0.000 2.132 242 G HA2 -0.252 3.708 3.960 0.000 0.000 0.234 242 G HA3 -0.252 3.708 3.960 0.000 0.000 0.234 242 G C 0.360 175.214 174.900 -0.077 0.000 0.989 242 G CA 0.263 45.317 45.100 -0.076 0.000 0.676 242 G HN 0.266 nan 8.290 nan 0.000 0.522 243 T N 0.495 115.017 114.554 -0.053 0.000 2.854 243 T HA 0.314 4.664 4.350 0.000 0.000 0.336 243 T C 0.887 175.555 174.700 -0.053 0.000 1.095 243 T CA 0.301 62.375 62.100 -0.045 0.000 1.118 243 T CB 0.896 69.746 68.868 -0.031 0.000 1.025 243 T HN 0.347 nan 8.240 nan 0.000 0.549 244 L N 2.809 124.006 121.223 -0.043 0.000 2.295 244 L HA 0.314 4.654 4.340 0.000 0.000 0.285 244 L C 0.335 177.187 176.870 -0.031 0.000 1.035 244 L CA -1.112 53.703 54.840 -0.043 0.000 0.806 244 L CB 1.144 43.181 42.059 -0.037 0.000 1.214 244 L HN 0.752 nan 8.230 nan 0.000 0.426 245 D N 1.239 121.619 120.400 -0.033 0.000 2.348 245 D HA -0.055 4.585 4.640 0.000 0.000 0.253 245 D C 0.410 176.699 176.300 -0.019 0.000 1.161 245 D CA -0.333 53.653 54.000 -0.024 0.000 0.876 245 D CB 1.444 42.229 40.800 -0.025 0.000 1.160 245 D HN 0.420 nan 8.370 nan 0.000 0.459 246 D N 1.638 122.030 120.400 -0.012 0.000 2.149 246 D HA -0.214 4.426 4.640 0.000 0.000 0.198 246 D C 1.136 177.432 176.300 -0.008 0.000 0.990 246 D CA 0.918 54.914 54.000 -0.008 0.000 0.839 246 D CB 0.097 40.895 40.800 -0.003 0.000 0.948 246 D HN 0.566 nan 8.370 nan 0.000 0.460 247 D N 0.500 120.894 120.400 -0.009 0.000 2.182 247 D HA -0.225 4.415 4.640 0.000 0.000 0.193 247 D C 1.923 178.217 176.300 -0.009 0.000 0.999 247 D CA 1.620 55.615 54.000 -0.009 0.000 0.850 247 D CB -0.470 40.325 40.800 -0.009 0.000 0.994 247 D HN 0.150 nan 8.370 nan 0.000 0.450 248 Q N -0.668 119.125 119.800 -0.012 0.000 2.340 248 Q HA -0.314 4.026 4.340 0.000 0.000 0.215 248 Q C 1.844 177.841 176.000 -0.006 0.000 0.998 248 Q CA 2.015 57.812 55.803 -0.010 0.000 0.921 248 Q CB -0.284 28.443 28.738 -0.019 0.000 0.926 248 Q HN 0.410 nan 8.270 nan 0.000 0.426 249 A N 0.125 122.941 122.820 -0.006 0.000 1.832 249 A HA -0.162 4.158 4.320 0.000 0.000 0.214 249 A C 1.878 179.460 177.584 -0.004 0.000 1.204 249 A CA 1.205 53.242 52.037 -0.000 0.000 0.606 249 A CB -0.943 18.058 19.000 0.002 0.000 0.849 249 A HN 0.446 nan 8.150 nan 0.000 0.445 250 L N 0.427 121.646 121.223 -0.006 0.000 1.997 250 L HA -0.206 4.134 4.340 0.000 0.000 0.216 250 L C 2.476 179.333 176.870 -0.022 0.000 1.074 250 L CA 2.759 57.592 54.840 -0.012 0.000 0.763 250 L CB -1.022 41.032 42.059 -0.008 0.000 0.890 250 L HN 0.338 nan 8.230 nan 0.000 0.434 251 S N -0.681 115.009 115.700 -0.017 0.000 2.389 251 S HA -0.249 4.221 4.470 0.000 0.000 0.231 251 S C 1.943 176.527 174.600 -0.027 0.000 1.052 251 S CA 1.923 60.112 58.200 -0.019 0.000 1.053 251 S CB -0.502 62.691 63.200 -0.012 0.000 0.886 251 S HN 0.488 nan 8.310 nan 0.000 0.456 252 L N 0.452 121.662 121.223 -0.023 0.000 2.023 252 L HA -0.070 4.270 4.340 0.000 0.000 0.205 252 L C 2.339 179.170 176.870 -0.064 0.000 1.073 252 L CA 0.884 55.706 54.840 -0.030 0.000 0.745 252 L CB -0.517 41.538 42.059 -0.007 0.000 0.900 252 L HN 0.175 nan 8.230 nan 0.000 0.435 253 V N 0.187 120.062 119.914 -0.065 0.000 2.250 253 V HA -0.395 3.725 4.120 0.000 0.000 0.250 253 V C 2.387 178.400 176.094 -0.135 0.000 1.060 253 V CA 2.164 64.400 62.300 -0.106 0.000 1.030 253 V CB -0.493 31.288 31.823 -0.071 0.000 0.643 253 V HN 0.487 nan 8.190 nan 0.000 0.445 254 E N -0.116 120.030 120.200 -0.090 0.000 2.012 254 E HA -0.251 4.099 4.350 0.000 0.000 0.197 254 E C 2.275 178.814 176.600 -0.102 0.000 1.007 254 E CA 1.452 57.800 56.400 -0.087 0.000 0.816 254 E CB -0.436 29.232 29.700 -0.054 0.000 0.762 254 E HN 0.593 nan 8.360 nan 0.000 0.451 255 A N 1.098 123.871 122.820 -0.079 0.000 2.076 255 A HA -0.200 4.120 4.320 0.000 0.000 0.220 255 A C 2.032 179.558 177.584 -0.097 0.000 1.160 255 A CA 1.329 53.323 52.037 -0.071 0.000 0.653 255 A CB -0.514 18.459 19.000 -0.045 0.000 0.801 255 A HN 0.295 nan 8.150 nan 0.000 0.455 256 M N 0.189 119.705 119.600 -0.140 0.000 2.193 256 M HA -0.086 4.394 4.480 0.000 0.000 0.265 256 M C 1.961 178.122 176.300 -0.231 0.000 1.071 256 M CA 2.183 57.373 55.300 -0.183 0.000 1.140 256 M CB -0.128 32.318 32.600 -0.257 0.000 1.369 256 M HN 0.407 nan 8.290 nan 0.000 0.423 257 V N -2.272 117.462 119.914 -0.301 0.000 3.129 257 V HA -0.010 4.110 4.120 0.000 0.000 0.259 257 V C 1.113 177.041 176.094 -0.277 0.000 1.116 257 V CA 1.163 63.302 62.300 -0.268 0.000 1.127 257 V CB -0.998 30.664 31.823 -0.269 0.000 0.742 257 V HN 0.461 nan 8.190 nan 0.000 0.474 258 E N 1.240 121.306 120.200 -0.223 0.000 2.512 258 E HA 0.405 4.755 4.350 0.000 0.000 0.195 258 E C 1.501 178.011 176.600 -0.150 0.000 1.083 258 E CA 0.516 56.784 56.400 -0.219 0.000 0.873 258 E CB -0.115 29.521 29.700 -0.106 0.000 0.897 258 E HN 0.820 nan 8.360 nan 0.000 0.514 259 A N 1.713 124.470 122.820 -0.105 0.000 2.910 259 A HA -0.258 4.063 4.320 0.000 0.000 0.267 259 A C 0.751 178.351 177.584 0.027 0.000 1.310 259 A CA 0.875 52.932 52.037 0.034 0.000 0.934 259 A CB -2.142 16.965 19.000 0.178 0.000 1.057 259 A HN 0.369 nan 8.150 nan 0.000 0.742 260 N N 0.793 119.486 118.700 -0.011 0.000 2.744 260 N HA 0.291 5.031 4.740 0.000 0.000 0.290 260 N C 1.412 176.920 175.510 -0.003 0.000 1.206 260 N CA 0.988 54.036 53.050 -0.004 0.000 1.119 260 N CB -0.463 38.015 38.487 -0.015 0.000 1.449 260 N HN 0.514 nan 8.380 nan 0.000 0.514 261 G N 2.037 110.843 108.800 0.009 0.000 2.491 261 G HA2 -0.322 3.638 3.960 0.000 0.000 0.218 261 G HA3 -0.322 3.638 3.960 0.000 0.000 0.218 261 G C 1.047 175.947 174.900 0.001 0.000 1.180 261 G CA 0.797 45.900 45.100 0.005 0.000 0.774 261 G HN 0.684 nan 8.290 nan 0.000 0.562 262 E N 0.191 120.394 120.200 0.005 0.000 2.153 262 E HA -0.180 4.170 4.350 0.000 0.000 0.194 262 E C 2.443 179.045 176.600 0.003 0.000 0.988 262 E CA 1.098 57.501 56.400 0.004 0.000 0.811 262 E CB -0.103 29.601 29.700 0.007 0.000 0.746 262 E HN 0.490 nan 8.360 nan 0.000 0.466 263 R N -0.132 120.368 120.500 -0.000 0.000 2.100 263 R HA -0.004 4.336 4.340 0.000 0.000 0.220 263 R C 2.300 178.599 176.300 -0.002 0.000 1.091 263 R CA 0.796 56.895 56.100 -0.001 0.000 0.986 263 R CB -0.130 30.167 30.300 -0.005 0.000 0.888 263 R HN 0.044 nan 8.270 nan 0.000 0.444 264 V N 1.108 121.016 119.914 -0.009 0.000 2.255 264 V HA -0.316 3.804 4.120 0.000 0.000 0.247 264 V C 2.345 178.439 176.094 0.001 0.000 1.051 264 V CA 1.801 64.094 62.300 -0.011 0.000 1.018 264 V CB -0.322 31.486 31.823 -0.025 0.000 0.641 264 V HN 0.380 nan 8.190 nan 0.000 0.445 265 M N -0.318 119.280 119.600 -0.003 0.000 2.080 265 M HA -0.167 4.313 4.480 0.000 0.000 0.260 265 M C 2.321 178.630 176.300 0.016 0.000 1.068 265 M CA 2.410 57.710 55.300 0.000 0.000 1.109 265 M CB -1.613 30.984 32.600 -0.006 0.000 1.342 265 M HN 0.415 nan 8.290 nan 0.000 0.405 266 A N -0.790 122.039 122.820 0.015 0.000 2.066 266 A HA -0.057 4.263 4.320 0.000 0.000 0.218 266 A C 2.208 179.810 177.584 0.029 0.000 1.157 266 A CA 0.889 52.938 52.037 0.020 0.000 0.670 266 A CB -0.595 18.413 19.000 0.013 0.000 0.804 266 A HN 0.376 nan 8.150 nan 0.000 0.453 267 L N -0.533 120.707 121.223 0.029 0.000 2.095 267 L HA 0.058 4.399 4.340 0.000 0.000 0.204 267 L C 2.194 179.107 176.870 0.070 0.000 1.080 267 L CA 1.302 56.164 54.840 0.036 0.000 0.759 267 L CB -0.356 41.718 42.059 0.024 0.000 0.914 267 L HN 0.389 nan 8.230 nan 0.000 0.439 268 I N -0.405 120.222 120.570 0.096 0.000 2.361 268 I HA -0.312 3.858 4.170 0.000 0.000 0.251 268 I C 2.301 178.549 176.117 0.218 0.000 1.133 268 I CA 1.095 62.510 61.300 0.193 0.000 1.413 268 I CB -0.290 37.788 38.000 0.130 0.000 1.073 268 I HN 0.402 nan 8.210 nan 0.000 0.424 269 N N 0.900 119.673 118.700 0.122 0.000 2.216 269 N HA -0.170 4.570 4.740 0.000 0.000 0.183 269 N C 1.611 177.175 175.510 0.090 0.000 1.017 269 N CA 1.310 54.424 53.050 0.107 0.000 0.861 269 N CB 0.088 38.612 38.487 0.060 0.000 0.986 269 N HN 0.446 nan 8.380 nan 0.000 0.428 270 E N 0.049 120.287 120.200 0.063 0.000 2.274 270 E HA -0.023 4.328 4.350 0.000 0.000 0.194 270 E C 1.765 178.380 176.600 0.025 0.000 0.996 270 E CA 0.716 57.138 56.400 0.036 0.000 0.840 270 E CB 0.007 29.719 29.700 0.021 0.000 0.772 270 E HN 0.358 nan 8.360 nan 0.000 0.491 271 A N 1.549 124.397 122.820 0.047 0.000 1.970 271 A HA 0.090 4.410 4.320 0.000 0.000 0.216 271 A C 2.384 179.917 177.584 -0.084 0.000 1.170 271 A CA 1.164 53.188 52.037 -0.023 0.000 0.645 271 A CB -0.352 18.654 19.000 0.008 0.000 0.816 271 A HN 0.272 nan 8.150 nan 0.000 0.447 272 A N 0.060 122.947 122.820 0.111 0.000 1.930 272 A HA 0.225 4.545 4.320 0.000 0.000 0.217 272 A C 2.455 180.075 177.584 0.059 0.000 1.175 272 A CA 1.812 53.956 52.037 0.178 0.000 0.627 272 A CB -0.929 18.300 19.000 0.383 0.000 0.815 272 A HN 0.923 nan 8.150 nan 0.000 0.443 273 A N 0.079 122.925 122.820 0.044 0.000 1.841 273 A HA -0.210 4.110 4.320 0.000 0.000 0.216 273 A C 2.192 179.764 177.584 -0.021 0.000 1.199 273 A CA 1.691 53.737 52.037 0.016 0.000 0.621 273 A CB -0.580 18.429 19.000 0.015 0.000 0.835 273 A HN 0.495 nan 8.150 nan 0.000 0.445 274 R N -1.216 119.257 120.500 -0.046 0.000 2.293 274 R HA 0.024 4.364 4.340 0.000 0.000 0.219 274 R C 1.012 177.248 176.300 -0.105 0.000 1.091 274 R CA 0.599 56.657 56.100 -0.070 0.000 1.004 274 R CB -0.461 29.794 30.300 -0.075 0.000 0.865 274 R HN 0.888 nan 8.270 nan 0.000 0.469 275 G N 1.376 110.092 108.800 -0.140 0.000 2.341 275 G HA2 -0.265 3.696 3.960 0.000 0.000 0.278 275 G HA3 -0.265 3.696 3.960 0.000 0.000 0.278 275 G C -0.130 174.604 174.900 -0.277 0.000 1.111 275 G CA -0.299 44.697 45.100 -0.174 0.000 0.982 275 G HN 0.221 nan 8.290 nan 0.000 0.502 276 I N 0.133 120.425 120.570 -0.463 0.000 2.472 276 I HA 0.284 4.454 4.170 0.000 0.000 0.290 276 I C 0.936 176.665 176.117 -0.648 0.000 1.016 276 I CA -0.453 60.551 61.300 -0.493 0.000 1.348 276 I CB 1.165 38.862 38.000 -0.506 0.000 1.417 276 I HN 0.357 nan 8.210 nan 0.000 0.521 277 E N 5.227 125.198 120.200 -0.381 0.000 2.257 277 E HA -0.010 4.340 4.350 0.000 0.000 0.278 277 E C -0.086 176.374 176.600 -0.235 0.000 1.049 277 E CA -0.120 56.097 56.400 -0.305 0.000 0.876 277 E CB 0.551 30.175 29.700 -0.126 0.000 1.035 277 E HN 0.522 nan 8.360 nan 0.000 0.419 278 W N 3.500 124.797 121.300 -0.005 0.000 2.363 278 W HA -0.124 4.537 4.660 0.000 0.000 0.296 278 W C 2.050 178.564 176.519 -0.007 0.000 1.212 278 W CA 0.452 57.793 57.345 -0.007 0.000 1.260 278 W CB 0.084 29.541 29.460 -0.005 0.000 1.131 278 W HN 0.671 nan 8.180 nan 0.000 0.530 279 E N 0.431 120.749 120.200 0.196 0.000 2.153 279 E HA -0.201 4.149 4.350 0.000 0.000 0.194 279 E C 2.251 178.893 176.600 0.070 0.000 0.988 279 E CA 1.163 57.633 56.400 0.117 0.000 0.811 279 E CB -0.159 29.591 29.700 0.084 0.000 0.746 279 E HN 0.237 nan 8.360 nan 0.000 0.466 280 A N 0.748 123.591 122.820 0.039 0.000 1.930 280 A HA -0.151 4.169 4.320 0.000 0.000 0.217 280 A C 2.062 179.655 177.584 0.015 0.000 1.175 280 A CA 0.807 52.849 52.037 0.009 0.000 0.627 280 A CB -0.428 18.556 19.000 -0.028 0.000 0.815 280 A HN 0.286 nan 8.150 nan 0.000 0.443 281 L N -0.328 120.916 121.223 0.035 0.000 1.994 281 L HA -0.096 4.244 4.340 0.000 0.000 0.208 281 L C 2.402 179.310 176.870 0.062 0.000 1.071 281 L CA 1.568 56.441 54.840 0.054 0.000 0.745 281 L CB -0.364 41.774 42.059 0.132 0.000 0.892 281 L HN 0.404 nan 8.230 nan 0.000 0.431 282 L N -1.579 119.694 121.223 0.083 0.000 2.081 282 L HA -0.269 4.071 4.340 0.000 0.000 0.212 282 L C 2.362 179.245 176.870 0.021 0.000 1.080 282 L CA 1.103 55.971 54.840 0.047 0.000 0.754 282 L CB -0.471 41.617 42.059 0.047 0.000 0.893 282 L HN 0.169 nan 8.230 nan 0.000 0.433 283 V N -0.589 119.341 119.914 0.025 0.000 2.488 283 V HA -0.229 3.891 4.120 0.000 0.000 0.246 283 V C 2.375 178.484 176.094 0.025 0.000 1.046 283 V CA 1.687 63.997 62.300 0.017 0.000 1.053 283 V CB -0.109 31.723 31.823 0.015 0.000 0.679 283 V HN 0.426 nan 8.190 nan 0.000 0.458 284 E N -0.001 120.214 120.200 0.024 0.000 2.110 284 E HA -0.208 4.142 4.350 0.000 0.000 0.193 284 E C 2.199 178.823 176.600 0.039 0.000 0.988 284 E CA 1.554 57.970 56.400 0.027 0.000 0.804 284 E CB -0.200 29.510 29.700 0.016 0.000 0.745 284 E HN 0.480 nan 8.360 nan 0.000 0.458 285 M N -0.174 119.446 119.600 0.035 0.000 2.159 285 M HA -0.133 4.347 4.480 0.000 0.000 0.263 285 M C 2.159 178.500 176.300 0.069 0.000 1.063 285 M CA 1.127 56.449 55.300 0.036 0.000 1.110 285 M CB -0.232 32.379 32.600 0.018 0.000 1.374 285 M HN 0.242 nan 8.290 nan 0.000 0.411 286 L N -0.633 120.628 121.223 0.064 0.000 2.141 286 L HA -0.116 4.224 4.340 0.000 0.000 0.209 286 L C 2.624 179.626 176.870 0.219 0.000 1.094 286 L CA 1.186 56.101 54.840 0.125 0.000 0.763 286 L CB -1.073 40.999 42.059 0.022 0.000 0.908 286 L HN 0.385 nan 8.230 nan 0.000 0.437 287 G N -0.058 108.823 108.800 0.135 0.000 2.402 287 G HA2 -0.171 3.789 3.960 0.000 0.000 0.216 287 G HA3 -0.171 3.789 3.960 0.000 0.000 0.216 287 G C 1.617 176.622 174.900 0.176 0.000 1.162 287 G CA 0.347 45.529 45.100 0.136 0.000 0.777 287 G HN 0.184 nan 8.290 nan 0.000 0.539 288 L N 0.012 121.309 121.223 0.124 0.000 2.005 288 L HA 0.023 4.363 4.340 0.000 0.000 0.207 288 L C 2.900 179.835 176.870 0.108 0.000 1.072 288 L CA 0.572 55.469 54.840 0.095 0.000 0.744 288 L CB -0.559 41.531 42.059 0.052 0.000 0.895 288 L HN 0.139 nan 8.230 nan 0.000 0.433 289 L N -0.489 120.816 121.223 0.136 0.000 2.137 289 L HA -0.334 4.006 4.340 0.000 0.000 0.213 289 L C 2.744 179.705 176.870 0.152 0.000 1.085 289 L CA 1.546 56.483 54.840 0.163 0.000 0.760 289 L CB -0.944 41.274 42.059 0.265 0.000 0.893 289 L HN 0.525 nan 8.230 nan 0.000 0.434 290 H N 0.058 119.183 119.070 0.091 0.000 2.307 290 H HA -0.107 4.449 4.556 0.000 0.000 0.303 290 H C 2.355 177.685 175.328 0.002 0.000 1.073 290 H CA 0.989 57.045 56.048 0.013 0.000 1.338 290 H CB 0.185 29.970 29.762 0.039 0.000 1.389 290 H HN 0.093 nan 8.280 nan 0.000 0.503 291 R N 1.049 121.527 120.500 -0.036 0.000 2.196 291 R HA -0.178 4.162 4.340 0.000 0.000 0.227 291 R C 2.791 179.006 176.300 -0.142 0.000 1.108 291 R CA 1.559 57.599 56.100 -0.099 0.000 0.884 291 R CB -1.334 28.980 30.300 0.023 0.000 0.839 291 R HN 0.474 nan 8.270 nan 0.000 0.431 292 I N 0.469 121.008 120.570 -0.052 0.000 2.253 292 I HA -0.433 3.737 4.170 0.000 0.000 0.234 292 I C 2.409 178.484 176.117 -0.069 0.000 0.978 292 I CA 2.209 63.486 61.300 -0.038 0.000 1.271 292 I CB -0.814 37.187 38.000 0.002 0.000 0.978 292 I HN 0.306 nan 8.210 nan 0.000 0.394 293 A N 0.241 123.010 122.820 -0.085 0.000 1.958 293 A HA -0.270 4.050 4.320 0.000 0.000 0.221 293 A C 2.355 179.858 177.584 -0.135 0.000 1.178 293 A CA 2.214 54.192 52.037 -0.098 0.000 0.642 293 A CB -0.578 18.350 19.000 -0.119 0.000 0.816 293 A HN 0.445 nan 8.150 nan 0.000 0.453 294 M N -1.024 118.443 119.600 -0.222 0.000 2.077 294 M HA -0.106 4.374 4.480 0.000 0.000 0.261 294 M C 2.257 178.491 176.300 -0.111 0.000 1.070 294 M CA 1.376 56.554 55.300 -0.204 0.000 1.125 294 M CB -0.936 31.480 32.600 -0.307 0.000 1.339 294 M HN 0.279 nan 8.290 nan 0.000 0.409 295 V N 0.630 120.489 119.914 -0.092 0.000 2.407 295 V HA -0.279 3.841 4.120 0.000 0.000 0.248 295 V C 2.261 178.331 176.094 -0.039 0.000 1.055 295 V CA 1.582 63.850 62.300 -0.053 0.000 1.049 295 V CB -0.805 30.994 31.823 -0.039 0.000 0.662 295 V HN 0.547 nan 8.190 nan 0.000 0.455 296 Q N -0.939 118.836 119.800 -0.041 0.000 2.234 296 Q HA -0.237 4.103 4.340 0.000 0.000 0.206 296 Q C 2.076 178.059 176.000 -0.028 0.000 0.980 296 Q CA 1.433 57.220 55.803 -0.027 0.000 0.869 296 Q CB -0.229 28.496 28.738 -0.022 0.000 0.912 296 Q HN 0.498 nan 8.270 nan 0.000 0.436 297 L N 0.237 121.436 121.223 -0.039 0.000 1.960 297 L HA -0.046 4.294 4.340 0.000 0.000 0.209 297 L C 0.892 177.747 176.870 -0.025 0.000 1.090 297 L CA 1.491 56.311 54.840 -0.033 0.000 0.759 297 L CB -0.186 41.847 42.059 -0.042 0.000 0.892 297 L HN 0.088 nan 8.230 nan 0.000 0.436 298 S N -1.866 113.818 115.700 -0.026 0.000 2.473 298 S HA 0.457 4.927 4.470 0.000 0.000 0.307 298 S C -1.949 172.640 174.600 -0.019 0.000 1.094 298 S CA -1.315 56.874 58.200 -0.019 0.000 1.070 298 S CB 1.337 64.529 63.200 -0.014 0.000 1.019 298 S HN 0.049 nan 8.310 nan 0.000 0.480 299 P HA -0.139 nan 4.420 nan 0.000 0.218 299 P C 1.312 178.606 177.300 -0.010 0.000 1.147 299 P CA 1.859 64.952 63.100 -0.011 0.000 0.827 299 P CB -0.065 31.631 31.700 -0.007 0.000 0.778 300 A N -0.440 122.375 122.820 -0.009 0.000 2.067 300 A HA 0.144 4.465 4.320 0.000 0.000 0.217 300 A C 2.194 179.775 177.584 -0.006 0.000 1.156 300 A CA 1.193 53.226 52.037 -0.006 0.000 0.683 300 A CB -1.170 17.828 19.000 -0.004 0.000 0.808 300 A HN 0.193 nan 8.150 nan 0.000 0.455 301 A N -0.700 122.114 122.820 -0.011 0.000 2.172 301 A HA 0.207 4.527 4.320 0.000 0.000 0.216 301 A C 0.990 178.570 177.584 -0.007 0.000 1.154 301 A CA 0.434 52.465 52.037 -0.011 0.000 0.701 301 A CB -0.623 18.361 19.000 -0.027 0.000 0.789 301 A HN 0.608 nan 8.150 nan 0.000 0.465 302 L N 0.708 121.926 121.223 -0.008 0.000 2.410 302 L HA 0.531 4.871 4.340 0.000 0.000 0.273 302 L C 0.820 177.694 176.870 0.007 0.000 1.152 302 L CA -0.012 54.828 54.840 -0.000 0.000 0.855 302 L CB 0.253 42.310 42.059 -0.003 0.000 1.129 302 L HN 0.155 nan 8.230 nan 0.000 0.463 303 G N 3.236 112.045 108.800 0.015 0.000 2.594 303 G HA2 0.016 3.976 3.960 0.000 0.000 0.243 303 G HA3 0.016 3.976 3.960 0.000 0.000 0.243 303 G C 0.706 175.612 174.900 0.011 0.000 1.229 303 G CA -0.395 44.715 45.100 0.015 0.000 0.843 303 G HN 0.818 nan 8.290 nan 0.000 0.578 304 N N 0.689 119.394 118.700 0.010 0.000 2.205 304 N HA -0.124 4.616 4.740 0.000 0.000 0.186 304 N C 1.789 177.303 175.510 0.008 0.000 1.015 304 N CA 1.405 54.459 53.050 0.007 0.000 0.862 304 N CB -0.026 38.465 38.487 0.007 0.000 0.986 304 N HN 0.648 nan 8.380 nan 0.000 0.429 305 D N -0.090 120.316 120.400 0.010 0.000 2.263 305 D HA -0.129 4.512 4.640 0.000 0.000 0.208 305 D C 1.357 177.663 176.300 0.010 0.000 0.971 305 D CA 0.721 54.728 54.000 0.010 0.000 0.867 305 D CB -0.086 40.723 40.800 0.014 0.000 0.929 305 D HN 0.379 nan 8.370 nan 0.000 0.492 306 M N 0.021 119.628 119.600 0.010 0.000 2.382 306 M HA 0.275 4.755 4.480 0.000 0.000 0.247 306 M C 2.216 178.520 176.300 0.006 0.000 1.104 306 M CA 0.030 55.336 55.300 0.010 0.000 1.030 306 M CB -0.016 32.591 32.600 0.012 0.000 1.424 306 M HN -0.059 nan 8.290 nan 0.000 0.486 307 A N 1.915 124.738 122.820 0.005 0.000 1.941 307 A HA -0.346 3.974 4.320 0.000 0.000 0.233 307 A C 2.408 179.993 177.584 0.002 0.000 1.649 307 A CA 3.148 55.187 52.037 0.003 0.000 0.726 307 A CB -1.231 17.771 19.000 0.002 0.000 0.843 307 A HN 0.550 nan 8.150 nan 0.000 0.511 308 A N -0.937 121.884 122.820 0.002 0.000 1.902 308 A HA -0.039 4.281 4.320 0.000 0.000 0.217 308 A C 2.144 179.729 177.584 0.000 0.000 1.181 308 A CA 1.685 53.722 52.037 0.000 0.000 0.623 308 A CB -0.553 18.447 19.000 -0.000 0.000 0.818 308 A HN 0.622 nan 8.150 nan 0.000 0.443 309 I N 0.076 120.647 120.570 0.001 0.000 2.617 309 I HA -0.188 3.982 4.170 0.000 0.000 0.256 309 I C 2.392 178.509 176.117 0.001 0.000 1.167 309 I CA 1.197 62.497 61.300 0.001 0.000 1.469 309 I CB -0.499 37.503 38.000 0.003 0.000 1.098 309 I HN 0.643 nan 8.210 nan 0.000 0.436 310 E N 1.742 121.944 120.200 0.002 0.000 2.187 310 E HA -0.303 4.047 4.350 0.000 0.000 0.199 310 E C 2.162 178.762 176.600 0.000 0.000 1.004 310 E CA 1.517 57.918 56.400 0.002 0.000 0.813 310 E CB -0.433 29.269 29.700 0.002 0.000 0.736 310 E HN 0.375 nan 8.360 nan 0.000 0.468 311 L N 0.965 122.188 121.223 0.000 0.000 2.046 311 L HA -0.098 4.242 4.340 0.000 0.000 0.208 311 L C 2.516 179.386 176.870 -0.001 0.000 1.077 311 L CA 1.793 56.633 54.840 -0.000 0.000 0.747 311 L CB -0.217 41.842 42.059 -0.001 0.000 0.896 311 L HN 0.062 nan 8.230 nan 0.000 0.432 312 R N -1.965 118.533 120.500 -0.002 0.000 2.200 312 R HA 0.000 4.340 4.340 0.000 0.000 0.208 312 R C 2.047 178.344 176.300 -0.004 0.000 1.033 312 R CA 0.658 56.756 56.100 -0.004 0.000 1.000 312 R CB -0.095 30.202 30.300 -0.006 0.000 0.906 312 R HN 0.326 nan 8.270 nan 0.000 0.462 313 M N 0.427 120.026 119.600 -0.002 0.000 2.064 313 M HA -0.111 4.369 4.480 0.000 0.000 0.260 313 M C 2.090 178.389 176.300 -0.001 0.000 1.073 313 M CA 1.628 56.928 55.300 -0.001 0.000 1.124 313 M CB -0.689 31.911 32.600 0.001 0.000 1.326 313 M HN 0.014 nan 8.290 nan 0.000 0.410 314 R N 0.276 120.775 120.500 -0.001 0.000 2.117 314 R HA -0.160 4.180 4.340 0.000 0.000 0.243 314 R C 1.924 178.225 176.300 0.001 0.000 1.143 314 R CA 1.104 57.204 56.100 -0.001 0.000 0.968 314 R CB -0.786 29.514 30.300 -0.001 0.000 0.863 314 R HN 0.486 nan 8.270 nan 0.000 0.444 315 E N 1.033 121.234 120.200 0.002 0.000 2.038 315 E HA -0.145 4.205 4.350 0.000 0.000 0.195 315 E C 2.304 178.908 176.600 0.007 0.000 1.000 315 E CA 0.908 57.311 56.400 0.004 0.000 0.803 315 E CB -0.359 29.342 29.700 0.002 0.000 0.750 315 E HN 0.292 nan 8.360 nan 0.000 0.448 316 L N 0.653 121.878 121.223 0.003 0.000 2.043 316 L HA -0.263 4.077 4.340 0.000 0.000 0.212 316 L C 2.556 179.437 176.870 0.017 0.000 1.075 316 L CA 1.409 56.253 54.840 0.006 0.000 0.752 316 L CB -0.506 41.551 42.059 -0.003 0.000 0.891 316 L HN 0.097 nan 8.230 nan 0.000 0.432 317 A N 0.110 122.936 122.820 0.010 0.000 1.883 317 A HA -0.224 4.096 4.320 0.000 0.000 0.217 317 A C 2.353 179.946 177.584 0.014 0.000 1.186 317 A CA 1.773 53.815 52.037 0.009 0.000 0.624 317 A CB -0.479 18.520 19.000 -0.002 0.000 0.822 317 A HN 0.384 nan 8.150 nan 0.000 0.444 318 R N -1.058 119.449 120.500 0.013 0.000 2.115 318 R HA -0.032 4.308 4.340 0.000 0.000 0.226 318 R C 2.117 178.432 176.300 0.025 0.000 1.100 318 R CA 1.616 57.725 56.100 0.015 0.000 0.980 318 R CB -0.543 29.763 30.300 0.011 0.000 0.875 318 R HN 0.543 nan 8.270 nan 0.000 0.445 319 T N 1.267 115.839 114.554 0.031 0.000 2.735 319 T HA 0.108 4.458 4.350 0.000 0.000 0.256 319 T C 1.100 175.838 174.700 0.063 0.000 1.042 319 T CA 0.608 62.734 62.100 0.044 0.000 1.147 319 T CB 0.082 68.976 68.868 0.043 0.000 0.865 319 T HN 0.012 nan 8.240 nan 0.000 0.421 320 I N 3.524 124.137 120.570 0.071 0.000 2.395 320 I HA 0.256 4.426 4.170 0.000 0.000 0.289 320 I C -2.511 173.659 176.117 0.089 0.000 1.023 320 I CA -2.552 58.812 61.300 0.107 0.000 1.350 320 I CB 0.994 39.074 38.000 0.134 0.000 1.409 320 I HN 0.013 nan 8.210 nan 0.000 0.507 321 P HA 0.205 nan 4.420 nan 0.000 0.275 321 P C -2.164 175.166 177.300 0.051 0.000 1.228 321 P CA -1.481 61.650 63.100 0.052 0.000 0.786 321 P CB 0.227 31.949 31.700 0.037 0.000 0.927 322 P HA -0.235 nan 4.420 nan 0.000 0.217 322 P C 1.412 178.725 177.300 0.021 0.000 1.162 322 P CA 2.173 65.285 63.100 0.020 0.000 0.901 322 P CB -0.556 31.145 31.700 0.002 0.000 0.793 323 T N -0.490 114.068 114.554 0.007 0.000 2.653 323 T HA -0.190 4.160 4.350 0.000 0.000 0.268 323 T C 1.276 175.970 174.700 -0.010 0.000 1.035 323 T CA 1.963 64.058 62.100 -0.008 0.000 1.154 323 T CB -1.103 67.750 68.868 -0.026 0.000 0.862 323 T HN 0.175 nan 8.240 nan 0.000 0.441 324 D N 0.292 120.691 120.400 -0.001 0.000 2.312 324 D HA 0.097 4.737 4.640 0.000 0.000 0.211 324 D C 1.954 178.279 176.300 0.042 0.000 0.964 324 D CA 0.377 54.355 54.000 -0.037 0.000 0.877 324 D CB -0.132 40.671 40.800 0.004 0.000 0.924 324 D HN 0.378 nan 8.370 nan 0.000 0.515 325 I N 0.527 121.193 120.570 0.160 0.000 2.584 325 I HA -0.162 4.008 4.170 0.000 0.000 0.255 325 I C 2.156 178.413 176.117 0.234 0.000 1.145 325 I CA 0.523 61.989 61.300 0.277 0.000 1.462 325 I CB 0.105 38.214 38.000 0.180 0.000 1.102 325 I HN -0.094 nan 8.210 nan 0.000 0.433 326 Q N 0.685 120.563 119.800 0.129 0.000 2.124 326 Q HA -0.137 4.203 4.340 0.000 0.000 0.202 326 Q C 2.309 178.425 176.000 0.192 0.000 0.977 326 Q CA 1.433 57.313 55.803 0.128 0.000 0.850 326 Q CB -0.307 28.465 28.738 0.056 0.000 0.901 326 Q HN 0.525 nan 8.270 nan 0.000 0.429 327 L N -0.971 120.330 121.223 0.130 0.000 2.217 327 L HA -0.155 4.185 4.340 0.000 0.000 0.211 327 L C 2.136 179.202 176.870 0.327 0.000 1.107 327 L CA 0.744 55.690 54.840 0.178 0.000 0.783 327 L CB -0.485 41.587 42.059 0.021 0.000 0.919 327 L HN 0.141 nan 8.230 nan 0.000 0.442 328 Y N -0.953 119.535 120.300 0.313 0.000 2.163 328 Y HA -0.295 4.255 4.550 0.000 0.000 0.288 328 Y C 2.601 178.598 175.900 0.162 0.000 1.136 328 Y CA 1.421 59.639 58.100 0.197 0.000 1.147 328 Y CB -0.901 37.651 38.460 0.153 0.000 0.987 328 Y HN 0.101 nan 8.280 nan 0.000 0.509 329 Y N 0.734 121.175 120.300 0.236 0.000 2.109 329 Y HA -0.322 4.228 4.550 0.000 0.000 0.285 329 Y C 2.711 178.679 175.900 0.114 0.000 1.131 329 Y CA 2.097 60.286 58.100 0.148 0.000 1.121 329 Y CB -0.712 37.828 38.460 0.132 0.000 0.987 329 Y HN 0.154 nan 8.280 nan 0.000 0.495 330 Q N 0.089 120.083 119.800 0.324 0.000 2.103 330 Q HA -0.272 4.068 4.340 0.000 0.000 0.213 330 Q C 2.089 178.120 176.000 0.051 0.000 1.008 330 Q CA 3.501 59.402 55.803 0.163 0.000 0.879 330 Q CB -0.737 28.123 28.738 0.203 0.000 0.946 330 Q HN 0.545 nan 8.270 nan 0.000 0.413 331 T N 0.332 114.945 114.554 0.099 0.000 2.821 331 T HA -0.031 4.319 4.350 0.000 0.000 0.267 331 T C 1.508 176.192 174.700 -0.027 0.000 1.046 331 T CA 1.210 63.337 62.100 0.045 0.000 1.139 331 T CB -0.092 68.793 68.868 0.027 0.000 0.871 331 T HN 0.251 nan 8.240 nan 0.000 0.454 332 L N 0.453 121.649 121.223 -0.046 0.000 2.395 332 L HA 0.086 4.426 4.340 0.000 0.000 0.218 332 L C 2.201 178.988 176.870 -0.139 0.000 1.130 332 L CA 0.195 54.986 54.840 -0.082 0.000 0.826 332 L CB -0.371 41.647 42.059 -0.068 0.000 0.941 332 L HN 0.234 nan 8.230 nan 0.000 0.451 333 L N 0.696 121.790 121.223 -0.216 0.000 1.993 333 L HA -0.121 4.219 4.340 0.000 0.000 0.206 333 L C 2.340 179.141 176.870 -0.115 0.000 1.074 333 L CA 1.695 56.393 54.840 -0.236 0.000 0.746 333 L CB -0.589 41.278 42.059 -0.320 0.000 0.896 333 L HN 0.054 nan 8.230 nan 0.000 0.435 334 I N -0.015 120.507 120.570 -0.080 0.000 2.229 334 I HA -0.342 3.828 4.170 0.000 0.000 0.250 334 I C 2.385 178.470 176.117 -0.053 0.000 1.096 334 I CA 1.559 62.828 61.300 -0.053 0.000 1.358 334 I CB -1.142 36.841 38.000 -0.029 0.000 1.047 334 I HN 0.487 nan 8.210 nan 0.000 0.422 335 G N 0.457 109.225 108.800 -0.054 0.000 2.402 335 G HA2 -0.256 3.704 3.960 0.000 0.000 0.216 335 G HA3 -0.256 3.704 3.960 0.000 0.000 0.216 335 G C 1.746 176.628 174.900 -0.029 0.000 1.162 335 G CA 0.695 45.769 45.100 -0.044 0.000 0.777 335 G HN 0.334 nan 8.290 nan 0.000 0.539 336 R N 0.911 121.391 120.500 -0.033 0.000 2.091 336 R HA -0.105 4.235 4.340 0.000 0.000 0.238 336 R C 2.432 178.734 176.300 0.003 0.000 1.136 336 R CA 1.968 58.063 56.100 -0.009 0.000 0.959 336 R CB -0.359 29.927 30.300 -0.024 0.000 0.856 336 R HN 0.392 nan 8.270 nan 0.000 0.437 337 K N 0.708 121.095 120.400 -0.022 0.000 2.020 337 K HA -0.189 4.131 4.320 0.000 0.000 0.212 337 K C 1.327 177.910 176.600 -0.027 0.000 1.050 337 K CA 2.174 58.445 56.287 -0.027 0.000 0.929 337 K CB -0.087 32.378 32.500 -0.059 0.000 0.714 337 K HN 0.265 nan 8.250 nan 0.000 0.443 338 E N 0.392 120.563 120.200 -0.048 0.000 2.445 338 E HA -0.047 4.303 4.350 0.000 0.000 0.189 338 E C 1.339 177.980 176.600 0.069 0.000 1.069 338 E CA -0.292 56.070 56.400 -0.062 0.000 0.871 338 E CB 0.174 29.821 29.700 -0.088 0.000 0.991 338 E HN 0.230 nan 8.360 nan 0.000 0.481 339 L N 1.608 122.882 121.223 0.085 0.000 1.970 339 L HA -0.095 4.245 4.340 0.000 0.000 0.212 339 L C -1.080 175.877 176.870 0.145 0.000 1.071 339 L CA 2.052 56.944 54.840 0.086 0.000 0.751 339 L CB -0.954 41.144 42.059 0.065 0.000 0.889 339 L HN 0.012 nan 8.230 nan 0.000 0.432 340 P HA -0.084 nan 4.420 nan 0.000 0.244 340 P C 0.081 177.359 177.300 -0.037 0.000 1.211 340 P CA 1.106 64.261 63.100 0.092 0.000 0.760 340 P CB -0.128 31.613 31.700 0.069 0.000 0.961 341 Y N -1.273 119.022 120.300 -0.009 0.000 2.498 341 Y HA 0.389 4.939 4.550 -0.000 0.000 0.259 341 Y C 1.492 177.381 175.900 -0.018 0.000 1.086 341 Y CA -0.640 57.454 58.100 -0.010 0.000 1.287 341 Y CB -0.669 37.786 38.460 -0.009 0.000 1.146 341 Y HN -0.200 nan 8.280 nan 0.000 0.523 342 A N 1.294 124.181 122.820 0.112 0.000 2.407 342 A HA 0.261 4.581 4.320 0.000 0.000 0.248 342 A C -1.386 176.197 177.584 -0.001 0.000 1.082 342 A CA -1.062 50.997 52.037 0.037 0.000 0.785 342 A CB -0.070 18.930 19.000 -0.000 0.000 1.020 342 A HN 0.114 nan 8.150 nan 0.000 0.489 343 P HA -0.080 nan 4.420 nan 0.000 0.218 343 P C -0.171 177.111 177.300 -0.030 0.000 1.146 343 P CA 1.471 64.559 63.100 -0.020 0.000 0.813 343 P CB 0.134 31.823 31.700 -0.019 0.000 0.778 344 D N -3.099 117.272 120.400 -0.048 0.000 2.531 344 D HA 0.223 4.863 4.640 0.000 0.000 0.244 344 D C 1.169 177.422 176.300 -0.079 0.000 1.090 344 D CA -0.705 53.263 54.000 -0.053 0.000 0.989 344 D CB 1.206 41.959 40.800 -0.079 0.000 1.433 344 D HN -0.174 nan 8.370 nan 0.000 0.492 345 R N 0.225 120.687 120.500 -0.064 0.000 2.062 345 R HA 0.003 4.343 4.340 0.000 0.000 0.229 345 R C 2.026 178.063 176.300 -0.439 0.000 1.128 345 R CA 0.558 56.594 56.100 -0.107 0.000 0.960 345 R CB -0.015 30.351 30.300 0.111 0.000 0.855 345 R HN 0.348 nan 8.270 nan 0.000 0.432 346 R N 1.386 121.507 120.500 -0.631 0.000 2.122 346 R HA -0.210 4.130 4.340 0.000 0.000 0.236 346 R C 2.361 178.319 176.300 -0.570 0.000 1.129 346 R CA 2.242 57.761 56.100 -0.969 0.000 0.925 346 R CB -0.395 29.594 30.300 -0.519 0.000 0.850 346 R HN 0.163 nan 8.270 nan 0.000 0.431 347 M N -0.169 119.245 119.600 -0.310 0.000 2.331 347 M HA -0.151 4.329 4.480 0.000 0.000 0.260 347 M C 1.611 177.796 176.300 -0.191 0.000 1.072 347 M CA 2.191 57.368 55.300 -0.205 0.000 1.065 347 M CB -0.125 32.402 32.600 -0.122 0.000 1.392 347 M HN 0.397 nan 8.290 nan 0.000 0.427 348 G N -1.353 107.319 108.800 -0.214 0.000 2.492 348 G HA2 -0.016 3.944 3.960 0.000 0.000 0.214 348 G HA3 -0.016 3.944 3.960 0.000 0.000 0.214 348 G C 1.216 176.020 174.900 -0.161 0.000 1.147 348 G CA 0.459 45.472 45.100 -0.144 0.000 0.809 348 G HN 0.374 nan 8.290 nan 0.000 0.533 349 V N 0.821 120.578 119.914 -0.262 0.000 2.427 349 V HA -0.119 4.001 4.120 0.000 0.000 0.248 349 V C 2.565 178.539 176.094 -0.199 0.000 1.051 349 V CA 1.835 63.997 62.300 -0.230 0.000 1.048 349 V CB -0.326 31.287 31.823 -0.350 0.000 0.666 349 V HN 0.419 nan 8.190 nan 0.000 0.456 350 E N -0.252 119.803 120.200 -0.241 0.000 2.106 350 E HA -0.169 4.181 4.350 0.000 0.000 0.192 350 E C 2.242 178.774 176.600 -0.112 0.000 0.984 350 E CA 1.279 57.580 56.400 -0.164 0.000 0.806 350 E CB -0.149 29.451 29.700 -0.167 0.000 0.750 350 E HN 0.559 nan 8.360 nan 0.000 0.458 351 M N -0.078 119.458 119.600 -0.108 0.000 2.200 351 M HA -0.089 4.391 4.480 0.000 0.000 0.265 351 M C 2.349 178.605 176.300 -0.073 0.000 1.066 351 M CA 1.112 56.367 55.300 -0.076 0.000 1.127 351 M CB -0.198 32.365 32.600 -0.063 0.000 1.379 351 M HN 0.011 nan 8.290 nan 0.000 0.420 352 T N 1.461 115.966 114.554 -0.082 0.000 2.737 352 T HA -0.047 4.303 4.350 0.000 0.000 0.265 352 T C 1.878 176.523 174.700 -0.091 0.000 1.038 352 T CA 1.089 63.142 62.100 -0.078 0.000 1.144 352 T CB -0.196 68.630 68.868 -0.070 0.000 0.866 352 T HN 0.266 nan 8.240 nan 0.000 0.434 353 L N 0.491 121.662 121.223 -0.087 0.000 2.005 353 L HA -0.019 4.321 4.340 0.000 0.000 0.207 353 L C 2.545 179.363 176.870 -0.087 0.000 1.072 353 L CA 1.088 55.877 54.840 -0.085 0.000 0.744 353 L CB -0.620 41.398 42.059 -0.069 0.000 0.895 353 L HN 0.259 nan 8.230 nan 0.000 0.433 354 L N -0.323 120.857 121.223 -0.072 0.000 2.064 354 L HA -0.339 4.001 4.340 0.000 0.000 0.216 354 L C 2.839 179.669 176.870 -0.066 0.000 1.077 354 L CA 1.636 56.444 54.840 -0.055 0.000 0.766 354 L CB -0.584 41.449 42.059 -0.043 0.000 0.890 354 L HN 0.343 nan 8.230 nan 0.000 0.435 355 R N 0.046 120.492 120.500 -0.090 0.000 2.070 355 R HA -0.159 4.181 4.340 0.000 0.000 0.232 355 R C 2.307 178.446 176.300 -0.269 0.000 1.138 355 R CA 1.583 57.619 56.100 -0.107 0.000 0.936 355 R CB -0.306 29.943 30.300 -0.085 0.000 0.839 355 R HN 0.328 nan 8.270 nan 0.000 0.429 356 A N 0.904 123.497 122.820 -0.379 0.000 2.067 356 A HA -0.104 4.216 4.320 0.000 0.000 0.219 356 A C 1.916 179.278 177.584 -0.371 0.000 1.158 356 A CA 0.756 52.366 52.037 -0.711 0.000 0.661 356 A CB -0.456 18.353 19.000 -0.319 0.000 0.801 356 A HN 0.344 nan 8.150 nan 0.000 0.452 357 L N 0.025 121.163 121.223 -0.142 0.000 1.955 357 L HA -0.051 4.289 4.340 0.000 0.000 0.213 357 L C 2.227 179.156 176.870 0.099 0.000 1.072 357 L CA 2.078 56.917 54.840 -0.002 0.000 0.755 357 L CB -1.169 40.885 42.059 -0.010 0.000 0.888 357 L HN 0.343 nan 8.230 nan 0.000 0.432 358 A N -1.500 121.375 122.820 0.091 0.000 2.626 358 A HA -0.021 4.299 4.320 0.000 0.000 0.238 358 A C 1.484 179.296 177.584 0.381 0.000 1.641 358 A CA 0.217 52.363 52.037 0.183 0.000 1.449 358 A CB -1.434 17.643 19.000 0.128 0.000 0.888 358 A HN 0.535 nan 8.150 nan 0.000 0.628 359 F N -2.132 117.888 119.950 0.118 0.000 2.553 359 F HA 0.026 4.553 4.527 -0.000 0.000 0.282 359 F C 2.168 178.027 175.800 0.097 0.000 1.089 359 F CA 0.255 58.288 58.000 0.054 0.000 1.411 359 F CB -0.171 38.803 39.000 -0.043 0.000 1.125 359 F HN 0.682 nan 8.300 nan 0.000 0.610 360 H N 1.182 120.429 119.070 0.295 0.000 2.278 360 H HA -0.180 4.376 4.556 0.000 0.000 0.287 360 H C -1.573 173.818 175.328 0.105 0.000 1.107 360 H CA 1.158 57.332 56.048 0.211 0.000 1.192 360 H CB -1.373 28.495 29.762 0.177 0.000 1.346 360 H HN 0.033 nan 8.280 nan 0.000 0.478 361 P HA 0.204 nan 4.420 nan 0.000 0.290 361 P C -0.007 177.227 177.300 -0.110 0.000 1.276 361 P CA -0.173 62.800 63.100 -0.211 0.000 0.808 361 P CB 1.651 33.244 31.700 -0.179 0.000 0.966 362 R N 1.602 122.033 120.500 -0.115 0.000 2.036 362 R HA 0.356 4.696 4.340 0.000 0.000 0.216 362 R C 0.333 176.586 176.300 -0.078 0.000 1.241 362 R CA 0.811 56.854 56.100 -0.096 0.000 0.964 362 R CB 0.008 30.259 30.300 -0.083 0.000 0.828 362 R HN 0.441 nan 8.270 nan 0.000 0.468 363 M N 0.000 119.560 119.600 -0.066 0.000 2.572 363 M HA 0.000 4.480 4.480 0.000 0.000 0.227 363 M CA 0.000 55.269 55.300 -0.052 0.000 0.988 363 M CB 0.000 32.572 32.600 -0.047 0.000 1.302 363 M HN 0.000 nan 8.290 nan 0.000 0.411