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 2wgf_1_D DATA FIRST_RESID 2 DATA SEQUENCE SQPSTANGGF PSVVVTAVTA TTSISPDIES TWKGLLAGES GIHALEDEFV DATA SEQUENCE TKWDLAVKIG GHLKDPVDSH MGRLDMRRMS YVQRMGKLLG GQLWESAGSP DATA SEQUENCE EVDPDRFAVV VGTGLGGAER IVESYDLMNA GGPRKVSPLA VQMIMPNGAA DATA SEQUENCE AVIGLQLGAR AGVMTPVSAQ SSGSEAIAHA WRQIVMGDAD VAVCGGVEGP DATA SEQUENCE IEALPIAAFS MMRAMSTRND EPERASRPFD KDRDGFVFGE AGALMLIETE DATA SEQUENCE EHAKARGAKP LARLLGAGIT SDAFHMVAPA ADGVRAGRAM TRSLELAGLS DATA SEQUENCE PADIDHVNAH GTATPIGDAA EANAIRVAGC DQAAVYAPKS ALGHSIGAVG DATA SEQUENCE ALESVLTVLT LRDGVIPPTL NYETPDPEID LDVVAGEPRY GDYRYAVNNS DATA SEQUENCE FGFGGHNVAL AFGRY 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 0.000 174.575 174.600 -0.042 0.000 1.055 2 S CA 0.000 58.182 58.200 -0.030 0.000 1.107 2 S CB 0.000 63.179 63.200 -0.034 0.000 0.593 3 Q N 2.579 122.351 119.800 -0.047 0.000 2.297 3 Q HA 0.692 5.032 4.340 0.000 0.000 0.268 3 Q C -2.639 173.279 176.000 -0.137 0.000 1.045 3 Q CA -1.907 53.857 55.803 -0.065 0.000 0.861 3 Q CB 0.046 28.772 28.738 -0.020 0.000 1.344 3 Q HN 0.396 nan 8.270 nan 0.000 0.452 4 P HA 0.147 nan 4.420 nan 0.000 0.268 4 P C -0.920 176.076 177.300 -0.506 0.000 1.208 4 P CA -0.132 62.619 63.100 -0.582 0.000 0.777 4 P CB 0.714 31.739 31.700 -1.125 0.000 0.875 5 S N -0.763 114.676 115.700 -0.435 0.000 2.588 5 S HA 0.347 4.817 4.470 0.000 0.000 0.269 5 S C 0.775 175.456 174.600 0.135 0.000 1.157 5 S CA -0.473 57.728 58.200 0.002 0.000 0.824 5 S CB 0.870 64.098 63.200 0.046 0.000 1.126 5 S HN 0.253 nan 8.310 nan 0.000 0.464 6 T N 1.667 116.454 114.554 0.388 0.000 2.777 6 T HA 0.031 4.381 4.350 0.000 0.000 0.266 6 T C 2.168 176.964 174.700 0.161 0.000 1.040 6 T CA 1.797 64.096 62.100 0.331 0.000 1.141 6 T CB -0.879 68.194 68.868 0.342 0.000 0.868 6 T HN 0.921 nan 8.240 nan 0.000 0.444 7 A N 2.880 125.764 122.820 0.106 0.000 1.933 7 A HA -0.129 4.191 4.320 0.000 0.000 0.218 7 A C 1.936 179.543 177.584 0.038 0.000 1.175 7 A CA 1.811 53.885 52.037 0.061 0.000 0.628 7 A CB -0.562 18.452 19.000 0.023 0.000 0.814 7 A HN 0.654 nan 8.150 nan 0.000 0.444 8 N N -1.626 117.083 118.700 0.015 0.000 2.270 8 N HA 0.295 5.035 4.740 0.000 0.000 0.198 8 N C 0.924 176.422 175.510 -0.020 0.000 1.117 8 N CA 1.083 54.127 53.050 -0.011 0.000 0.845 8 N CB -0.023 38.444 38.487 -0.033 0.000 0.980 8 N HN 0.712 nan 8.380 nan 0.000 0.486 9 G N -1.327 107.473 108.800 0.001 0.000 2.199 9 G HA2 -0.283 3.677 3.960 0.000 0.000 0.254 9 G HA3 -0.283 3.677 3.960 0.000 0.000 0.254 9 G C 1.103 175.982 174.900 -0.036 0.000 0.982 9 G CA 0.278 45.380 45.100 0.004 0.000 0.632 9 G HN 0.667 nan 8.290 nan 0.000 0.529 10 G N -0.169 108.554 108.800 -0.129 0.000 2.442 10 G HA2 0.205 4.165 3.960 0.000 0.000 0.219 10 G HA3 0.205 4.165 3.960 0.000 0.000 0.219 10 G C 0.597 175.324 174.900 -0.289 0.000 1.141 10 G CA 1.126 46.061 45.100 -0.275 0.000 0.763 10 G HN 0.476 nan 8.290 nan 0.000 0.554 11 F N 0.921 120.883 119.950 0.018 0.000 2.425 11 F HA 0.500 5.027 4.527 -0.000 0.000 0.331 11 F C -1.965 173.837 175.800 0.004 0.000 1.085 11 F CA -3.312 54.679 58.000 -0.016 0.000 1.028 11 F CB 1.235 40.242 39.000 0.011 0.000 1.177 11 F HN -0.188 nan 8.300 nan 0.000 0.487 12 P HA 0.008 nan 4.420 nan 0.000 0.267 12 P C -0.442 176.942 177.300 0.140 0.000 1.200 12 P CA -0.201 62.963 63.100 0.106 0.000 0.772 12 P CB 0.572 32.295 31.700 0.039 0.000 0.855 13 S N 1.800 117.580 115.700 0.134 0.000 2.510 13 S HA 0.250 4.720 4.470 0.000 0.000 0.279 13 S C -0.351 174.341 174.600 0.154 0.000 1.284 13 S CA -0.475 57.822 58.200 0.162 0.000 1.059 13 S CB -0.406 62.884 63.200 0.151 0.000 0.901 13 S HN 0.161 nan 8.310 nan 0.000 0.491 14 V N 6.562 126.592 119.914 0.194 0.000 2.448 14 V HA 0.579 4.699 4.120 0.000 0.000 0.295 14 V C -0.009 176.188 176.094 0.172 0.000 1.025 14 V CA -0.719 61.688 62.300 0.178 0.000 0.859 14 V CB 1.425 33.396 31.823 0.248 0.000 0.988 14 V HN 0.836 nan 8.190 nan 0.000 0.431 15 V N 2.898 122.889 119.914 0.127 0.000 2.715 15 V HA 0.740 4.860 4.120 0.000 0.000 0.310 15 V C -0.304 175.831 176.094 0.069 0.000 1.054 15 V CA -0.893 61.466 62.300 0.098 0.000 0.928 15 V CB 1.860 33.698 31.823 0.025 0.000 1.007 15 V HN 0.469 nan 8.190 nan 0.000 0.437 16 V N 3.792 123.749 119.914 0.071 0.000 2.432 16 V HA 0.343 4.463 4.120 0.000 0.000 0.271 16 V C 1.420 177.495 176.094 -0.032 0.000 1.046 16 V CA 0.660 62.990 62.300 0.049 0.000 0.945 16 V CB 0.695 32.568 31.823 0.083 0.000 0.992 16 V HN 1.173 nan 8.190 nan 0.000 0.471 17 T N 0.631 115.159 114.554 -0.042 0.000 3.001 17 T HA 0.634 4.984 4.350 0.000 0.000 0.251 17 T C 0.370 175.017 174.700 -0.088 0.000 1.040 17 T CA 0.478 62.525 62.100 -0.088 0.000 0.985 17 T CB 0.578 69.392 68.868 -0.091 0.000 1.011 17 T HN 1.061 nan 8.240 nan 0.000 0.509 18 A N 0.870 123.654 122.820 -0.060 0.000 2.605 18 A HA 0.721 5.041 4.320 0.000 0.000 0.294 18 A C -1.325 176.240 177.584 -0.033 0.000 1.062 18 A CA -0.580 51.423 52.037 -0.058 0.000 0.682 18 A CB 1.453 20.412 19.000 -0.069 0.000 1.278 18 A HN 1.055 nan 8.150 nan 0.000 0.410 19 V N -1.745 118.146 119.914 -0.039 0.000 2.971 19 V HA 0.967 5.087 4.120 0.000 0.000 0.309 19 V C -0.564 175.519 176.094 -0.020 0.000 1.130 19 V CA -0.048 62.233 62.300 -0.033 0.000 0.964 19 V CB 1.314 33.092 31.823 -0.075 0.000 1.029 19 V HN 1.668 nan 8.190 nan 0.000 0.427 20 T N 1.873 116.426 114.554 -0.003 0.000 2.909 20 T HA 0.904 5.254 4.350 0.000 0.000 0.299 20 T C -0.782 173.920 174.700 0.004 0.000 1.073 20 T CA 0.328 62.431 62.100 0.004 0.000 0.999 20 T CB 1.546 70.426 68.868 0.020 0.000 1.098 20 T HN 2.298 nan 8.240 nan 0.000 0.477 21 A N 2.284 125.108 122.820 0.007 0.000 2.566 21 A HA 0.706 5.026 4.320 0.000 0.000 0.297 21 A C -0.624 176.973 177.584 0.022 0.000 1.059 21 A CA -0.654 51.391 52.037 0.014 0.000 0.691 21 A CB 1.971 20.979 19.000 0.014 0.000 1.282 21 A HN 0.779 nan 8.150 nan 0.000 0.401 22 T N 1.294 115.864 114.554 0.026 0.000 2.812 22 T HA 0.771 5.121 4.350 0.000 0.000 0.282 22 T C -0.073 174.662 174.700 0.058 0.000 0.990 22 T CA 0.495 62.617 62.100 0.037 0.000 0.960 22 T CB 0.777 69.657 68.868 0.020 0.000 0.948 22 T HN 1.742 nan 8.240 nan 0.000 0.438 23 T N 0.234 114.831 114.554 0.071 0.000 2.804 23 T HA 0.461 4.811 4.350 0.000 0.000 0.290 23 T C 1.385 176.145 174.700 0.100 0.000 1.099 23 T CA -0.020 62.129 62.100 0.082 0.000 1.011 23 T CB 1.004 69.919 68.868 0.078 0.000 1.291 23 T HN 0.435 nan 8.240 nan 0.000 0.523 24 S N -0.365 115.400 115.700 0.107 0.000 2.515 24 S HA 0.088 4.558 4.470 0.000 0.000 0.231 24 S C 1.666 176.342 174.600 0.125 0.000 0.987 24 S CA 0.229 58.511 58.200 0.136 0.000 0.936 24 S CB -0.857 62.425 63.200 0.135 0.000 0.766 24 S HN 0.614 nan 8.310 nan 0.000 0.528 25 I N 0.218 120.848 120.570 0.101 0.000 2.556 25 I HA 0.155 4.325 4.170 0.000 0.000 0.251 25 I C 1.186 177.352 176.117 0.080 0.000 1.105 25 I CA 0.473 61.825 61.300 0.088 0.000 1.436 25 I CB 0.208 38.256 38.000 0.080 0.000 1.139 25 I HN 0.339 nan 8.210 nan 0.000 0.438 26 S N -1.034 114.715 115.700 0.082 0.000 2.565 26 S HA 0.372 4.842 4.470 0.000 0.000 0.269 26 S C -2.394 172.250 174.600 0.073 0.000 1.153 26 S CA -0.952 57.293 58.200 0.075 0.000 0.835 26 S CB 1.698 64.942 63.200 0.072 0.000 1.122 26 S HN -0.229 nan 8.310 nan 0.000 0.462 27 P HA 0.208 nan 4.420 nan 0.000 0.245 27 P C -0.579 176.744 177.300 0.038 0.000 1.206 27 P CA 0.547 63.678 63.100 0.051 0.000 0.781 27 P CB -0.190 31.545 31.700 0.059 0.000 0.994 28 D N -0.991 119.439 120.400 0.051 0.000 2.498 28 D HA 0.166 4.806 4.640 0.000 0.000 0.247 28 D C 0.740 177.078 176.300 0.062 0.000 1.070 28 D CA -0.722 53.306 54.000 0.047 0.000 0.842 28 D CB 0.918 41.748 40.800 0.050 0.000 1.361 28 D HN -0.327 nan 8.370 nan 0.000 0.484 29 I N 2.676 123.276 120.570 0.051 0.000 2.315 29 I HA -0.119 4.051 4.170 0.000 0.000 0.248 29 I C 1.565 177.754 176.117 0.119 0.000 1.117 29 I CA 1.491 62.828 61.300 0.062 0.000 1.404 29 I CB -0.268 37.735 38.000 0.006 0.000 1.071 29 I HN 0.501 nan 8.210 nan 0.000 0.419 30 E N 0.038 120.300 120.200 0.103 0.000 2.150 30 E HA -0.119 4.231 4.350 0.000 0.000 0.193 30 E C 2.302 179.010 176.600 0.179 0.000 0.985 30 E CA 1.290 57.787 56.400 0.161 0.000 0.814 30 E CB -0.410 29.352 29.700 0.104 0.000 0.752 30 E HN 0.456 nan 8.360 nan 0.000 0.466 31 S N 0.485 116.259 115.700 0.123 0.000 2.377 31 S HA -0.065 4.405 4.470 0.000 0.000 0.223 31 S C 2.121 176.783 174.600 0.104 0.000 1.030 31 S CA 1.241 59.499 58.200 0.097 0.000 0.970 31 S CB -0.260 62.984 63.200 0.073 0.000 0.830 31 S HN 0.266 nan 8.310 nan 0.000 0.473 32 T N 1.384 116.014 114.554 0.126 0.000 2.720 32 T HA -0.163 4.187 4.350 0.000 0.000 0.268 32 T C 1.321 176.138 174.700 0.195 0.000 1.037 32 T CA 1.127 63.311 62.100 0.139 0.000 1.144 32 T CB -0.316 68.637 68.868 0.142 0.000 0.864 32 T HN 0.606 nan 8.240 nan 0.000 0.444 33 W N 2.004 123.311 121.300 0.012 0.000 2.381 33 W HA -0.097 4.563 4.660 -0.000 0.000 0.301 33 W C 1.859 178.375 176.519 -0.004 0.000 1.205 33 W CA 0.899 58.245 57.345 0.000 0.000 1.285 33 W CB -0.066 29.389 29.460 -0.009 0.000 1.133 33 W HN 0.243 nan 8.180 nan 0.000 0.521 34 K N -0.223 120.162 120.400 -0.025 0.000 2.211 34 K HA -0.086 4.234 4.320 0.000 0.000 0.203 34 K C 2.263 178.783 176.600 -0.133 0.000 1.050 34 K CA 1.243 57.448 56.287 -0.137 0.000 0.945 34 K CB -0.668 31.822 32.500 -0.016 0.000 0.732 34 K HN 0.199 nan 8.250 nan 0.000 0.451 35 G N 1.434 110.198 108.800 -0.059 0.000 2.394 35 G HA2 -0.172 3.788 3.960 0.000 0.000 0.215 35 G HA3 -0.172 3.788 3.960 0.000 0.000 0.215 35 G C 1.488 176.345 174.900 -0.071 0.000 1.165 35 G CA 0.240 45.316 45.100 -0.039 0.000 0.784 35 G HN 0.060 nan 8.290 nan 0.000 0.535 36 L N 0.078 121.244 121.223 -0.094 0.000 2.042 36 L HA -0.043 4.297 4.340 0.000 0.000 0.210 36 L C 2.828 179.551 176.870 -0.244 0.000 1.076 36 L CA 0.725 55.494 54.840 -0.119 0.000 0.749 36 L CB -0.409 41.598 42.059 -0.086 0.000 0.893 36 L HN 0.190 nan 8.230 nan 0.000 0.432 37 L N -0.467 120.518 121.223 -0.397 0.000 2.217 37 L HA -0.086 4.254 4.340 0.000 0.000 0.211 37 L C 2.418 179.162 176.870 -0.210 0.000 1.107 37 L CA 0.704 55.303 54.840 -0.402 0.000 0.783 37 L CB -0.538 41.212 42.059 -0.515 0.000 0.919 37 L HN 0.210 nan 8.230 nan 0.000 0.442 38 A N -0.336 122.396 122.820 -0.148 0.000 2.278 38 A HA 0.350 4.670 4.320 0.000 0.000 0.212 38 A C 1.642 179.194 177.584 -0.053 0.000 1.213 38 A CA 0.591 52.581 52.037 -0.079 0.000 0.840 38 A CB -0.377 18.590 19.000 -0.055 0.000 0.866 38 A HN 0.481 nan 8.150 nan 0.000 0.489 39 G N -0.228 108.535 108.800 -0.063 0.000 2.147 39 G HA2 -0.234 3.726 3.960 0.000 0.000 0.244 39 G HA3 -0.234 3.726 3.960 0.000 0.000 0.244 39 G C -0.187 174.710 174.900 -0.005 0.000 1.005 39 G CA 0.324 45.407 45.100 -0.029 0.000 0.713 39 G HN 0.653 nan 8.290 nan 0.000 0.515 40 E N 0.188 120.384 120.200 -0.006 0.000 2.366 40 E HA 0.496 4.846 4.350 0.000 0.000 0.266 40 E C 0.209 176.827 176.600 0.029 0.000 1.051 40 E CA 0.192 56.600 56.400 0.014 0.000 0.884 40 E CB 1.304 31.013 29.700 0.015 0.000 1.006 40 E HN 0.178 nan 8.360 nan 0.000 0.417 41 S N 0.372 116.094 115.700 0.037 0.000 2.501 41 S HA 0.473 4.943 4.470 0.000 0.000 0.301 41 S C 0.541 175.178 174.600 0.062 0.000 1.096 41 S CA -0.485 57.742 58.200 0.044 0.000 1.063 41 S CB 1.357 64.579 63.200 0.038 0.000 1.042 41 S HN 0.606 nan 8.310 nan 0.000 0.494 42 G N 3.268 112.109 108.800 0.067 0.000 3.088 42 G HA2 0.218 4.178 3.960 0.000 0.000 0.217 42 G HA3 0.218 4.178 3.960 0.000 0.000 0.217 42 G C 0.157 175.125 174.900 0.113 0.000 1.159 42 G CA -0.107 45.054 45.100 0.102 0.000 0.760 42 G HN 0.590 nan 8.290 nan 0.000 0.550 43 I N 1.852 122.449 120.570 0.046 0.000 2.396 43 I HA 0.412 4.582 4.170 0.000 0.000 0.292 43 I C 0.443 176.556 176.117 -0.007 0.000 0.999 43 I CA -0.779 60.485 61.300 -0.059 0.000 1.310 43 I CB 0.621 38.588 38.000 -0.055 0.000 1.404 43 I HN 0.430 nan 8.210 nan 0.000 0.496 44 H N 3.180 122.252 119.070 0.003 0.000 3.393 44 H HA 0.860 5.416 4.556 0.000 0.000 0.302 44 H C -0.785 174.539 175.328 -0.007 0.000 1.650 44 H CA -1.064 54.987 56.048 0.005 0.000 1.208 44 H CB 0.699 30.472 29.762 0.018 0.000 1.770 44 H HN 0.551 nan 8.280 nan 0.000 0.662 45 A N 0.799 123.762 122.820 0.239 0.000 2.310 45 A HA 0.517 4.837 4.320 0.000 0.000 0.299 45 A C -0.486 177.245 177.584 0.244 0.000 1.147 45 A CA -0.799 51.322 52.037 0.140 0.000 0.818 45 A CB -0.010 19.045 19.000 0.092 0.000 1.096 45 A HN 0.542 nan 8.150 nan 0.000 0.495 46 L N 2.090 123.365 121.223 0.086 0.000 2.313 46 L HA 0.262 4.602 4.340 0.000 0.000 0.282 46 L C 0.577 177.464 176.870 0.028 0.000 1.092 46 L CA -0.251 54.632 54.840 0.072 0.000 0.831 46 L CB 0.759 42.807 42.059 -0.018 0.000 1.159 46 L HN 0.749 nan 8.230 nan 0.000 0.442 47 E N 0.992 121.222 120.200 0.051 0.000 2.481 47 E HA 0.067 4.417 4.350 0.000 0.000 0.198 47 E C -0.402 176.140 176.600 -0.096 0.000 1.027 47 E CA -0.021 56.370 56.400 -0.014 0.000 0.900 47 E CB 0.148 29.853 29.700 0.007 0.000 0.993 47 E HN 0.668 nan 8.360 nan 0.000 0.482 48 D N 1.919 122.198 120.400 -0.202 0.000 2.493 48 D HA -0.043 4.597 4.640 0.000 0.000 0.240 48 D C 1.013 177.066 176.300 -0.413 0.000 1.142 48 D CA 0.346 54.085 54.000 -0.435 0.000 0.872 48 D CB 0.776 40.870 40.800 -1.177 0.000 1.173 48 D HN -0.205 nan 8.370 nan 0.000 0.467 49 E N 1.595 121.673 120.200 -0.204 0.000 2.511 49 E HA -0.055 4.295 4.350 0.000 0.000 0.196 49 E C 1.277 177.862 176.600 -0.024 0.000 1.066 49 E CA 0.068 56.409 56.400 -0.097 0.000 0.871 49 E CB -0.111 29.564 29.700 -0.042 0.000 0.863 49 E HN 0.613 nan 8.360 nan 0.000 0.520 50 F N -1.004 119.009 119.950 0.105 0.000 2.780 50 F HA 0.004 4.531 4.527 0.000 0.000 0.299 50 F C 1.763 177.732 175.800 0.281 0.000 1.146 50 F CA 0.258 58.374 58.000 0.192 0.000 1.428 50 F CB -1.015 38.181 39.000 0.326 0.000 1.115 50 F HN -0.083 nan 8.300 nan 0.000 0.583 51 V N -0.642 119.350 119.914 0.131 0.000 2.788 51 V HA -0.043 4.077 4.120 0.000 0.000 0.251 51 V C 1.945 178.129 176.094 0.150 0.000 1.068 51 V CA 1.841 64.266 62.300 0.209 0.000 1.090 51 V CB -1.153 30.695 31.823 0.041 0.000 0.710 51 V HN 0.431 nan 8.190 nan 0.000 0.467 52 T N -1.668 112.922 114.554 0.059 0.000 3.009 52 T HA 0.008 4.358 4.350 0.000 0.000 0.258 52 T C 1.854 176.552 174.700 -0.003 0.000 1.063 52 T CA 1.162 63.279 62.100 0.028 0.000 1.139 52 T CB -0.278 68.585 68.868 -0.008 0.000 0.890 52 T HN 0.538 nan 8.240 nan 0.000 0.471 53 K N 0.153 120.521 120.400 -0.055 0.000 2.103 53 K HA -0.105 4.215 4.320 0.000 0.000 0.207 53 K C 1.213 177.588 176.600 -0.375 0.000 1.048 53 K CA 1.363 57.486 56.287 -0.274 0.000 0.930 53 K CB -0.135 32.133 32.500 -0.387 0.000 0.716 53 K HN 0.574 nan 8.250 nan 0.000 0.444 54 W N 0.319 121.687 121.300 0.113 0.000 2.975 54 W HA 0.152 4.812 4.660 0.000 0.000 0.316 54 W C -0.362 176.204 176.519 0.077 0.000 1.131 54 W CA -0.496 56.907 57.345 0.097 0.000 1.624 54 W CB 0.535 30.068 29.460 0.122 0.000 1.038 54 W HN 0.119 nan 8.180 nan 0.000 0.571 55 D N 1.723 122.272 120.400 0.247 0.000 2.803 55 D HA -0.191 4.449 4.640 0.000 0.000 0.233 55 D C -0.241 176.169 176.300 0.184 0.000 1.182 55 D CA 0.554 54.656 54.000 0.169 0.000 0.726 55 D CB -0.876 39.992 40.800 0.113 0.000 0.987 55 D HN 0.057 nan 8.370 nan 0.000 0.412 56 L N 0.262 121.617 121.223 0.219 0.000 2.461 56 L HA 0.325 4.665 4.340 0.000 0.000 0.272 56 L C 2.068 178.999 176.870 0.102 0.000 1.197 56 L CA 0.000 54.944 54.840 0.174 0.000 0.836 56 L CB 0.562 42.752 42.059 0.219 0.000 1.105 56 L HN 0.305 nan 8.230 nan 0.000 0.477 57 A N 3.272 126.130 122.820 0.064 0.000 2.015 57 A HA 0.022 4.342 4.320 0.000 0.000 0.219 57 A C 0.820 178.409 177.584 0.007 0.000 1.163 57 A CA 0.708 52.762 52.037 0.028 0.000 0.646 57 A CB -0.102 18.903 19.000 0.009 0.000 0.806 57 A HN 0.407 nan 8.150 nan 0.000 0.448 58 V N 0.527 120.446 119.914 0.008 0.000 2.383 58 V HA 0.241 4.361 4.120 0.000 0.000 0.275 58 V C 0.341 176.453 176.094 0.031 0.000 1.036 58 V CA -0.215 62.074 62.300 -0.019 0.000 0.889 58 V CB 1.247 33.023 31.823 -0.078 0.000 0.985 58 V HN 0.443 nan 8.190 nan 0.000 0.459 59 K N 5.368 125.773 120.400 0.009 0.000 2.506 59 K HA 0.429 4.749 4.320 0.000 0.000 0.204 59 K C -0.163 176.433 176.600 -0.006 0.000 1.045 59 K CA -0.035 56.265 56.287 0.022 0.000 1.074 59 K CB 0.625 33.138 32.500 0.022 0.000 0.842 59 K HN 0.756 nan 8.250 nan 0.000 0.514 60 I N -3.398 117.150 120.570 -0.036 0.000 2.892 60 I HA 0.863 5.033 4.170 0.000 0.000 0.306 60 I C -0.235 175.808 176.117 -0.124 0.000 1.078 60 I CA -0.969 60.282 61.300 -0.082 0.000 1.032 60 I CB 2.377 40.329 38.000 -0.080 0.000 1.229 60 I HN 0.014 nan 8.210 nan 0.000 0.435 61 G N 1.436 110.086 108.800 -0.250 0.000 2.316 61 G HA2 0.493 4.453 3.960 0.000 0.000 0.296 61 G HA3 0.493 4.453 3.960 0.000 0.000 0.296 61 G C -1.460 173.093 174.900 -0.578 0.000 1.399 61 G CA -0.309 44.632 45.100 -0.264 0.000 0.833 61 G HN 1.017 nan 8.290 nan 0.000 0.565 62 G N 0.036 108.623 108.800 -0.355 0.000 2.588 62 G HA2 0.567 4.527 3.960 0.000 0.000 0.312 62 G HA3 0.567 4.527 3.960 0.000 0.000 0.312 62 G C -0.455 174.412 174.900 -0.055 0.000 1.257 62 G CA -0.486 44.446 45.100 -0.280 0.000 0.994 62 G HN 0.582 nan 8.290 nan 0.000 0.498 63 H N 1.738 120.952 119.070 0.240 0.000 2.707 63 H HA 0.121 4.677 4.556 0.000 0.000 0.359 63 H C 1.082 176.525 175.328 0.191 0.000 1.113 63 H CA -0.127 56.053 56.048 0.221 0.000 1.422 63 H CB 1.354 31.265 29.762 0.249 0.000 1.443 63 H HN 0.287 nan 8.280 nan 0.000 0.591 64 L N 2.253 123.643 121.223 0.279 0.000 2.573 64 L HA -0.178 4.162 4.340 0.000 0.000 0.290 64 L C 1.801 178.776 176.870 0.176 0.000 1.247 64 L CA 0.242 55.198 54.840 0.194 0.000 0.876 64 L CB 0.342 42.505 42.059 0.173 0.000 1.123 64 L HN 0.566 nan 8.230 nan 0.000 0.505 65 K N 1.597 122.080 120.400 0.138 0.000 2.057 65 K HA -0.112 4.208 4.320 0.000 0.000 0.206 65 K C 0.276 176.935 176.600 0.098 0.000 1.050 65 K CA 1.226 57.577 56.287 0.108 0.000 0.935 65 K CB 0.015 32.570 32.500 0.091 0.000 0.715 65 K HN 0.547 nan 8.250 nan 0.000 0.439 66 D N 0.413 120.878 120.400 0.110 0.000 2.392 66 D HA 0.245 4.885 4.640 0.000 0.000 0.228 66 D C -2.675 173.712 176.300 0.146 0.000 1.074 66 D CA -2.684 51.394 54.000 0.130 0.000 0.838 66 D CB 1.125 42.018 40.800 0.156 0.000 1.067 66 D HN -0.095 nan 8.370 nan 0.000 0.511 67 P HA -0.012 nan 4.420 nan 0.000 0.267 67 P C 1.104 178.517 177.300 0.188 0.000 1.209 67 P CA -0.365 62.825 63.100 0.149 0.000 0.763 67 P CB 1.144 32.906 31.700 0.103 0.000 0.816 68 V N 2.465 122.470 119.914 0.152 0.000 2.453 68 V HA -0.235 3.885 4.120 0.000 0.000 0.252 68 V C 1.396 177.549 176.094 0.098 0.000 1.068 68 V CA 2.012 64.347 62.300 0.057 0.000 1.070 68 V CB -0.763 30.968 31.823 -0.153 0.000 0.664 68 V HN 0.549 nan 8.190 nan 0.000 0.461 69 D N -0.253 120.216 120.400 0.114 0.000 2.323 69 D HA -0.043 4.597 4.640 0.000 0.000 0.209 69 D C 2.239 178.585 176.300 0.076 0.000 0.973 69 D CA 1.187 55.240 54.000 0.089 0.000 0.874 69 D CB -0.075 40.789 40.800 0.106 0.000 0.930 69 D HN 0.606 nan 8.370 nan 0.000 0.521 70 S N -0.637 115.112 115.700 0.081 0.000 2.603 70 S HA -0.107 4.363 4.470 0.000 0.000 0.229 70 S C 1.203 175.715 174.600 -0.147 0.000 0.972 70 S CA 0.568 58.752 58.200 -0.027 0.000 0.935 70 S CB -0.362 62.806 63.200 -0.053 0.000 0.769 70 S HN 0.374 nan 8.310 nan 0.000 0.536 71 H N -0.133 118.938 119.070 0.002 0.000 2.755 71 H HA 0.389 4.945 4.556 0.000 0.000 0.273 71 H C -0.213 175.109 175.328 -0.010 0.000 1.055 71 H CA -0.102 55.944 56.048 -0.004 0.000 1.191 71 H CB 0.347 30.104 29.762 -0.008 0.000 1.536 71 H HN 0.418 nan 8.280 nan 0.000 0.529 72 M N 0.950 120.596 119.600 0.077 0.000 2.311 72 M HA 0.340 4.820 4.480 0.000 0.000 0.325 72 M C 0.868 177.181 176.300 0.023 0.000 1.061 72 M CA -0.603 54.722 55.300 0.041 0.000 0.957 72 M CB 1.727 34.342 32.600 0.024 0.000 1.646 72 M HN 0.049 nan 8.290 nan 0.000 0.434 73 G N 2.235 111.045 108.800 0.017 0.000 2.580 73 G HA2 0.390 4.350 3.960 0.000 0.000 0.278 73 G HA3 0.390 4.350 3.960 0.000 0.000 0.278 73 G C 0.775 175.681 174.900 0.011 0.000 1.212 73 G CA -0.593 44.513 45.100 0.011 0.000 0.939 73 G HN 0.831 nan 8.290 nan 0.000 0.513 74 R N -0.406 120.100 120.500 0.009 0.000 2.159 74 R HA -0.062 4.278 4.340 0.000 0.000 0.237 74 R C 2.119 178.424 176.300 0.010 0.000 1.131 74 R CA 0.526 56.632 56.100 0.011 0.000 0.982 74 R CB -0.408 29.898 30.300 0.009 0.000 0.868 74 R HN 0.367 nan 8.270 nan 0.000 0.453 75 L N 1.444 122.671 121.223 0.007 0.000 2.072 75 L HA -0.123 4.217 4.340 0.000 0.000 0.205 75 L C 1.131 178.003 176.870 0.004 0.000 1.079 75 L CA 1.863 56.706 54.840 0.005 0.000 0.752 75 L CB -0.432 41.629 42.059 0.003 0.000 0.906 75 L HN 0.139 nan 8.230 nan 0.000 0.436 76 D N -0.379 120.023 120.400 0.004 0.000 2.219 76 D HA -0.155 4.485 4.640 0.000 0.000 0.205 76 D C 2.224 178.526 176.300 0.004 0.000 0.970 76 D CA 0.828 54.827 54.000 -0.000 0.000 0.851 76 D CB 0.096 40.895 40.800 -0.002 0.000 0.943 76 D HN 0.264 nan 8.370 nan 0.000 0.488 77 M N 0.034 119.641 119.600 0.012 0.000 2.394 77 M HA -0.049 4.431 4.480 0.000 0.000 0.264 77 M C 1.815 178.129 176.300 0.023 0.000 1.073 77 M CA 0.891 56.204 55.300 0.022 0.000 1.111 77 M CB -0.339 32.277 32.600 0.027 0.000 1.401 77 M HN 0.109 nan 8.290 nan 0.000 0.448 78 R N 0.286 120.796 120.500 0.016 0.000 2.404 78 R HA 0.122 4.462 4.340 0.000 0.000 0.237 78 R C 1.667 177.974 176.300 0.012 0.000 0.907 78 R CA 0.161 56.271 56.100 0.016 0.000 1.063 78 R CB -0.007 30.301 30.300 0.013 0.000 1.134 78 R HN 0.358 nan 8.270 nan 0.000 0.529 79 R N -0.042 120.462 120.500 0.007 0.000 2.404 79 R HA 0.396 4.736 4.340 0.000 0.000 0.237 79 R C -0.147 176.152 176.300 -0.001 0.000 0.907 79 R CA -0.163 55.938 56.100 0.002 0.000 1.063 79 R CB 0.464 30.762 30.300 -0.003 0.000 1.134 79 R HN 0.101 nan 8.270 nan 0.000 0.529 80 M N 1.578 121.179 119.600 0.001 0.000 2.457 80 M HA 0.302 4.782 4.480 0.000 0.000 0.300 80 M C -0.598 175.709 176.300 0.013 0.000 1.141 80 M CA -1.032 54.266 55.300 -0.003 0.000 0.901 80 M CB 2.666 35.254 32.600 -0.021 0.000 1.687 80 M HN 0.167 nan 8.290 nan 0.000 0.449 81 S N 0.901 116.613 115.700 0.021 0.000 2.608 81 S HA 0.150 4.620 4.470 0.000 0.000 0.261 81 S C 0.798 175.439 174.600 0.069 0.000 1.314 81 S CA -0.366 57.867 58.200 0.055 0.000 0.992 81 S CB 0.579 63.812 63.200 0.054 0.000 0.935 81 S HN 0.777 nan 8.310 nan 0.000 0.564 82 Y N 1.615 121.917 120.300 0.003 0.000 2.081 82 Y HA -0.231 4.319 4.550 0.000 0.000 0.280 82 Y C 2.333 178.233 175.900 0.000 0.000 1.163 82 Y CA 2.612 60.714 58.100 0.004 0.000 1.135 82 Y CB -0.914 37.548 38.460 0.004 0.000 0.970 82 Y HN 0.535 nan 8.280 nan 0.000 0.498 83 V N -1.083 118.920 119.914 0.150 0.000 2.287 83 V HA -0.348 3.772 4.120 0.000 0.000 0.248 83 V C 2.037 178.099 176.094 -0.055 0.000 1.053 83 V CA 2.234 64.565 62.300 0.052 0.000 1.027 83 V CB -1.348 30.524 31.823 0.082 0.000 0.646 83 V HN 0.503 nan 8.190 nan 0.000 0.447 84 Q N 0.072 119.849 119.800 -0.039 0.000 2.112 84 Q HA -0.205 4.135 4.340 0.000 0.000 0.206 84 Q C 2.582 178.525 176.000 -0.095 0.000 0.987 84 Q CA 2.385 58.155 55.803 -0.055 0.000 0.858 84 Q CB -0.221 28.497 28.738 -0.033 0.000 0.905 84 Q HN 0.658 nan 8.270 nan 0.000 0.420 85 R N -0.093 120.321 120.500 -0.143 0.000 2.075 85 R HA -0.102 4.238 4.340 0.000 0.000 0.232 85 R C 2.309 178.478 176.300 -0.219 0.000 1.126 85 R CA 1.376 57.372 56.100 -0.174 0.000 0.963 85 R CB -0.363 29.815 30.300 -0.202 0.000 0.858 85 R HN 0.366 nan 8.270 nan 0.000 0.435 86 M N 0.411 119.819 119.600 -0.320 0.000 2.080 86 M HA -0.121 4.359 4.480 0.000 0.000 0.260 86 M C 2.092 178.315 176.300 -0.129 0.000 1.068 86 M CA 2.262 57.410 55.300 -0.252 0.000 1.109 86 M CB -0.402 32.055 32.600 -0.238 0.000 1.342 86 M HN 0.227 nan 8.290 nan 0.000 0.405 87 G N 0.246 108.988 108.800 -0.097 0.000 2.418 87 G HA2 -0.253 3.707 3.960 0.000 0.000 0.217 87 G HA3 -0.253 3.707 3.960 0.000 0.000 0.217 87 G C 1.564 176.431 174.900 -0.055 0.000 1.158 87 G CA 1.101 46.166 45.100 -0.058 0.000 0.771 87 G HN 0.532 nan 8.290 nan 0.000 0.545 88 K N -0.370 119.989 120.400 -0.067 0.000 2.032 88 K HA -0.078 4.242 4.320 0.000 0.000 0.209 88 K C 2.430 179.000 176.600 -0.051 0.000 1.048 88 K CA 1.265 57.518 56.287 -0.057 0.000 0.927 88 K CB -0.270 32.196 32.500 -0.057 0.000 0.712 88 K HN 0.251 nan 8.250 nan 0.000 0.441 89 L N 1.582 122.761 121.223 -0.073 0.000 1.994 89 L HA -0.161 4.179 4.340 0.000 0.000 0.208 89 L C 2.026 178.855 176.870 -0.068 0.000 1.071 89 L CA 1.629 56.415 54.840 -0.089 0.000 0.745 89 L CB -0.497 41.473 42.059 -0.149 0.000 0.892 89 L HN 0.228 nan 8.230 nan 0.000 0.431 90 L N -0.962 120.227 121.223 -0.057 0.000 2.093 90 L HA -0.082 4.258 4.340 0.000 0.000 0.208 90 L C 2.521 179.403 176.870 0.019 0.000 1.085 90 L CA 1.081 55.908 54.840 -0.022 0.000 0.755 90 L CB -1.418 40.631 42.059 -0.016 0.000 0.904 90 L HN 0.477 nan 8.230 nan 0.000 0.435 91 G N 0.045 108.855 108.800 0.017 0.000 2.446 91 G HA2 -0.224 3.736 3.960 0.000 0.000 0.217 91 G HA3 -0.224 3.736 3.960 0.000 0.000 0.217 91 G C 1.576 176.530 174.900 0.090 0.000 1.168 91 G CA 0.815 45.945 45.100 0.051 0.000 0.771 91 G HN 0.479 nan 8.290 nan 0.000 0.551 92 G N -0.018 108.813 108.800 0.051 0.000 2.408 92 G HA2 -0.138 3.822 3.960 0.000 0.000 0.217 92 G HA3 -0.138 3.822 3.960 0.000 0.000 0.217 92 G C 1.812 176.779 174.900 0.112 0.000 1.150 92 G CA 0.995 46.143 45.100 0.080 0.000 0.776 92 G HN 0.516 nan 8.290 nan 0.000 0.542 93 Q N -0.731 119.109 119.800 0.065 0.000 2.167 93 Q HA 0.024 4.364 4.340 0.000 0.000 0.202 93 Q C 2.426 178.473 176.000 0.078 0.000 0.970 93 Q CA 0.715 56.550 55.803 0.053 0.000 0.855 93 Q CB -0.165 28.578 28.738 0.008 0.000 0.911 93 Q HN 0.428 nan 8.270 nan 0.000 0.438 94 L N 0.004 121.293 121.223 0.111 0.000 1.988 94 L HA -0.138 4.202 4.340 0.000 0.000 0.207 94 L C 1.927 178.899 176.870 0.170 0.000 1.071 94 L CA 1.745 56.661 54.840 0.128 0.000 0.744 94 L CB -0.748 41.408 42.059 0.162 0.000 0.893 94 L HN 0.383 nan 8.230 nan 0.000 0.433 95 W N 0.853 122.161 121.300 0.013 0.000 2.321 95 W HA -0.324 4.336 4.660 -0.000 0.000 0.306 95 W C 2.459 178.976 176.519 -0.003 0.000 1.217 95 W CA 2.103 59.452 57.345 0.008 0.000 1.257 95 W CB -0.030 29.444 29.460 0.024 0.000 1.145 95 W HN 0.536 nan 8.180 nan 0.000 0.509 96 E N -0.025 120.267 120.200 0.154 0.000 2.077 96 E HA -0.185 4.165 4.350 0.000 0.000 0.193 96 E C 2.041 178.628 176.600 -0.023 0.000 0.989 96 E CA 2.116 58.546 56.400 0.050 0.000 0.800 96 E CB -0.592 29.152 29.700 0.074 0.000 0.746 96 E HN -0.088 nan 8.360 nan 0.000 0.452 97 S N 0.184 115.877 115.700 -0.011 0.000 2.419 97 S HA -0.092 4.378 4.470 0.000 0.000 0.235 97 S C 1.788 176.332 174.600 -0.094 0.000 1.019 97 S CA 0.900 59.077 58.200 -0.039 0.000 0.982 97 S CB -0.143 63.046 63.200 -0.019 0.000 0.789 97 S HN 0.510 nan 8.310 nan 0.000 0.490 98 A N 0.230 122.955 122.820 -0.159 0.000 2.238 98 A HA 0.496 4.816 4.320 0.000 0.000 0.208 98 A C 1.571 178.976 177.584 -0.299 0.000 1.177 98 A CA 0.670 52.547 52.037 -0.267 0.000 0.804 98 A CB -0.735 18.008 19.000 -0.429 0.000 0.823 98 A HN 0.834 nan 8.150 nan 0.000 0.482 99 G N -1.076 107.593 108.800 -0.218 0.000 2.147 99 G HA2 -0.167 3.793 3.960 0.000 0.000 0.244 99 G HA3 -0.167 3.793 3.960 0.000 0.000 0.244 99 G C 0.395 175.163 174.900 -0.220 0.000 1.005 99 G CA 0.389 45.383 45.100 -0.176 0.000 0.713 99 G HN 1.371 nan 8.290 nan 0.000 0.515 100 S N -0.630 114.859 115.700 -0.353 0.000 3.527 100 S HA -0.121 4.349 4.470 0.000 0.000 0.409 100 S C -1.430 172.968 174.600 -0.336 0.000 0.900 100 S CA 0.852 58.839 58.200 -0.356 0.000 1.320 100 S CB -0.724 62.505 63.200 0.048 0.000 0.915 100 S HN 0.809 nan 8.310 nan 0.000 0.575 101 P HA 0.215 nan 4.420 nan 0.000 0.269 101 P C 0.015 177.309 177.300 -0.011 0.000 1.215 101 P CA -0.013 62.876 63.100 -0.351 0.000 0.780 101 P CB 0.476 31.856 31.700 -0.532 0.000 0.898 102 E N 1.128 121.336 120.200 0.015 0.000 2.167 102 E HA 0.244 4.594 4.350 0.000 0.000 0.247 102 E C -0.215 176.433 176.600 0.079 0.000 0.961 102 E CA -0.502 55.953 56.400 0.091 0.000 0.797 102 E CB 0.753 30.483 29.700 0.051 0.000 1.182 102 E HN 0.241 nan 8.360 nan 0.000 0.437 103 V N -0.934 119.059 119.914 0.131 0.000 2.966 103 V HA 0.369 4.489 4.120 0.000 0.000 0.317 103 V C 0.365 176.538 176.094 0.131 0.000 1.070 103 V CA -1.133 61.246 62.300 0.131 0.000 1.008 103 V CB 1.828 33.709 31.823 0.097 0.000 1.070 103 V HN 0.258 nan 8.190 nan 0.000 0.457 104 D N 3.120 123.605 120.400 0.141 0.000 2.389 104 D HA 0.197 4.837 4.640 0.000 0.000 0.263 104 D C -1.618 174.775 176.300 0.154 0.000 1.255 104 D CA -1.589 52.485 54.000 0.123 0.000 0.914 104 D CB 1.633 42.500 40.800 0.112 0.000 1.116 104 D HN 0.423 nan 8.370 nan 0.000 0.502 105 P HA -0.075 nan 4.420 nan 0.000 0.220 105 P C 0.472 177.869 177.300 0.161 0.000 1.148 105 P CA 0.710 63.933 63.100 0.205 0.000 0.803 105 P CB 0.350 32.127 31.700 0.129 0.000 0.782 106 D N -1.199 119.265 120.400 0.106 0.000 2.347 106 D HA -0.026 4.614 4.640 0.000 0.000 0.215 106 D C 1.227 177.572 176.300 0.076 0.000 0.976 106 D CA 0.634 54.676 54.000 0.070 0.000 0.884 106 D CB -0.118 40.712 40.800 0.049 0.000 0.915 106 D HN 0.052 nan 8.370 nan 0.000 0.526 107 R N 0.074 120.641 120.500 0.110 0.000 2.586 107 R HA 0.171 4.511 4.340 0.000 0.000 0.336 107 R C -0.493 175.901 176.300 0.157 0.000 1.060 107 R CA -0.417 55.738 56.100 0.092 0.000 1.079 107 R CB 0.081 30.418 30.300 0.062 0.000 1.317 107 R HN 0.015 nan 8.270 nan 0.000 0.568 108 F N 1.096 121.042 119.950 -0.006 0.000 2.460 108 F HA 0.679 5.206 4.527 0.000 0.000 0.341 108 F C -0.894 174.901 175.800 -0.009 0.000 1.130 108 F CA -2.300 55.703 58.000 0.004 0.000 0.962 108 F CB 1.251 40.272 39.000 0.034 0.000 1.171 108 F HN 0.019 nan 8.300 nan 0.000 0.436 109 A N 4.650 127.544 122.820 0.124 0.000 2.322 109 A HA 0.890 5.210 4.320 0.000 0.000 0.327 109 A C -1.640 175.814 177.584 -0.216 0.000 1.134 109 A CA -0.695 51.274 52.037 -0.113 0.000 0.831 109 A CB 1.737 20.729 19.000 -0.012 0.000 1.288 109 A HN 0.543 nan 8.150 nan 0.000 0.472 110 V N 1.118 120.905 119.914 -0.212 0.000 2.524 110 V HA 0.444 4.564 4.120 0.000 0.000 0.297 110 V C -0.995 175.057 176.094 -0.069 0.000 1.035 110 V CA -0.395 61.815 62.300 -0.150 0.000 0.867 110 V CB 1.599 33.282 31.823 -0.234 0.000 1.004 110 V HN 0.669 nan 8.190 nan 0.000 0.426 111 V N 5.550 125.460 119.914 -0.007 0.000 2.349 111 V HA 0.563 4.683 4.120 0.000 0.000 0.284 111 V C -0.440 175.668 176.094 0.024 0.000 1.014 111 V CA -0.578 61.729 62.300 0.011 0.000 0.826 111 V CB 1.655 33.510 31.823 0.054 0.000 1.009 111 V HN 0.553 nan 8.190 nan 0.000 0.431 112 V N 3.818 123.735 119.914 0.005 0.000 2.482 112 V HA 0.751 4.871 4.120 0.000 0.000 0.295 112 V C 0.708 176.806 176.094 0.008 0.000 1.026 112 V CA -0.310 61.996 62.300 0.010 0.000 0.856 112 V CB 1.881 33.703 31.823 -0.002 0.000 1.001 112 V HN 0.884 nan 8.190 nan 0.000 0.424 113 G N 2.057 110.867 108.800 0.017 0.000 2.451 113 G HA2 0.650 4.610 3.960 0.000 0.000 0.303 113 G HA3 0.650 4.610 3.960 0.000 0.000 0.303 113 G C -0.463 174.443 174.900 0.010 0.000 1.166 113 G CA -0.267 44.840 45.100 0.012 0.000 0.884 113 G HN 0.701 nan 8.290 nan 0.000 0.514 114 T N -1.242 113.315 114.554 0.006 0.000 2.853 114 T HA 0.520 4.870 4.350 0.000 0.000 0.311 114 T C 1.412 176.117 174.700 0.008 0.000 1.307 114 T CA 0.550 62.656 62.100 0.011 0.000 1.019 114 T CB 1.208 70.084 68.868 0.015 0.000 1.264 114 T HN 0.755 nan 8.240 nan 0.000 0.497 115 G N 1.416 110.224 108.800 0.012 0.000 2.480 115 G HA2 -0.004 3.956 3.960 0.000 0.000 0.216 115 G HA3 -0.004 3.956 3.960 0.000 0.000 0.216 115 G C 0.942 175.855 174.900 0.020 0.000 1.200 115 G CA 1.976 47.087 45.100 0.018 0.000 0.782 115 G HN 0.709 nan 8.290 nan 0.000 0.554 116 L N -3.053 118.180 121.223 0.017 0.000 2.860 116 L HA 0.642 4.982 4.340 0.000 0.000 0.251 116 L C 1.014 177.888 176.870 0.006 0.000 1.041 116 L CA 0.330 55.176 54.840 0.010 0.000 0.985 116 L CB -0.554 41.510 42.059 0.008 0.000 1.656 116 L HN 0.794 nan 8.230 nan 0.000 0.526 117 G N -0.335 108.472 108.800 0.013 0.000 2.270 117 G HA2 0.267 4.227 3.960 0.000 0.000 0.268 117 G HA3 0.267 4.227 3.960 0.000 0.000 0.268 117 G C -0.138 174.777 174.900 0.025 0.000 1.312 117 G CA -0.298 44.810 45.100 0.014 0.000 1.050 117 G HN 0.572 nan 8.290 nan 0.000 0.474 118 G N 0.379 109.194 108.800 0.024 0.000 3.541 118 G HA2 0.603 4.563 3.960 0.000 0.000 0.253 118 G HA3 0.603 4.563 3.960 0.000 0.000 0.253 118 G C 1.198 176.113 174.900 0.024 0.000 1.017 118 G CA 1.310 46.432 45.100 0.037 0.000 1.832 118 G HN 1.744 nan 8.290 nan 0.000 0.649 119 A N 1.096 123.923 122.820 0.012 0.000 2.125 119 A HA -0.055 4.265 4.320 0.000 0.000 0.219 119 A C 2.215 179.797 177.584 -0.003 0.000 1.156 119 A CA 1.525 53.559 52.037 -0.004 0.000 0.671 119 A CB 0.001 18.990 19.000 -0.018 0.000 0.794 119 A HN 0.562 nan 8.150 nan 0.000 0.459 120 E N -0.084 120.121 120.200 0.008 0.000 2.274 120 E HA -0.163 4.187 4.350 0.000 0.000 0.194 120 E C 1.368 177.985 176.600 0.028 0.000 0.996 120 E CA 0.556 56.963 56.400 0.012 0.000 0.840 120 E CB -0.340 29.369 29.700 0.016 0.000 0.772 120 E HN 0.429 nan 8.360 nan 0.000 0.491 121 R N 0.514 121.033 120.500 0.030 0.000 2.236 121 R HA 0.202 4.542 4.340 0.000 0.000 0.208 121 R C 2.358 178.679 176.300 0.036 0.000 1.036 121 R CA 0.349 56.470 56.100 0.035 0.000 1.001 121 R CB -0.410 29.909 30.300 0.031 0.000 0.896 121 R HN 0.344 nan 8.270 nan 0.000 0.464 122 I N 0.608 121.192 120.570 0.025 0.000 2.193 122 I HA -0.205 3.965 4.170 0.000 0.000 0.240 122 I C 2.300 178.447 176.117 0.050 0.000 1.084 122 I CA 1.136 62.449 61.300 0.022 0.000 1.365 122 I CB -0.430 37.562 38.000 -0.015 0.000 1.064 122 I HN -0.097 nan 8.210 nan 0.000 0.410 123 V N -1.218 118.716 119.914 0.032 0.000 2.626 123 V HA -0.208 3.912 4.120 0.000 0.000 0.252 123 V C 2.174 178.351 176.094 0.139 0.000 1.067 123 V CA 1.812 64.155 62.300 0.071 0.000 1.081 123 V CB -0.851 30.986 31.823 0.023 0.000 0.686 123 V HN 0.531 nan 8.190 nan 0.000 0.468 124 E N 1.384 121.640 120.200 0.092 0.000 2.016 124 E HA -0.159 4.191 4.350 0.000 0.000 0.190 124 E C 2.280 178.933 176.600 0.088 0.000 0.985 124 E CA 1.500 57.950 56.400 0.082 0.000 0.802 124 E CB -0.226 29.508 29.700 0.056 0.000 0.762 124 E HN 0.631 nan 8.360 nan 0.000 0.448 125 S N -0.028 115.723 115.700 0.085 0.000 2.402 125 S HA -0.217 4.253 4.470 0.000 0.000 0.233 125 S C 1.578 176.242 174.600 0.106 0.000 1.030 125 S CA 1.408 59.654 58.200 0.077 0.000 1.003 125 S CB -0.547 62.694 63.200 0.068 0.000 0.813 125 S HN 0.443 nan 8.310 nan 0.000 0.477 126 Y N 2.371 122.673 120.300 0.004 0.000 2.089 126 Y HA -0.221 4.329 4.550 0.000 0.000 0.282 126 Y C 2.128 178.031 175.900 0.006 0.000 1.139 126 Y CA 1.795 59.897 58.100 0.003 0.000 1.123 126 Y CB -0.265 38.196 38.460 0.001 0.000 0.980 126 Y HN 0.129 nan 8.280 nan 0.000 0.493 127 D N 0.310 120.712 120.400 0.002 0.000 2.092 127 D HA -0.190 4.450 4.640 0.000 0.000 0.193 127 D C 2.184 178.435 176.300 -0.081 0.000 0.994 127 D CA 1.274 55.222 54.000 -0.087 0.000 0.828 127 D CB -0.494 40.319 40.800 0.022 0.000 0.963 127 D HN 0.260 nan 8.370 nan 0.000 0.450 128 L N 0.513 121.721 121.223 -0.025 0.000 2.064 128 L HA -0.210 4.130 4.340 0.000 0.000 0.216 128 L C 2.459 179.303 176.870 -0.043 0.000 1.077 128 L CA 1.524 56.352 54.840 -0.021 0.000 0.766 128 L CB -0.967 41.094 42.059 0.003 0.000 0.890 128 L HN 0.164 nan 8.230 nan 0.000 0.435 129 M N -1.497 118.066 119.600 -0.061 0.000 2.236 129 M HA -0.136 4.344 4.480 0.000 0.000 0.266 129 M C 1.939 178.174 176.300 -0.108 0.000 1.070 129 M CA 1.213 56.472 55.300 -0.067 0.000 1.137 129 M CB -0.104 32.468 32.600 -0.047 0.000 1.378 129 M HN 0.219 nan 8.290 nan 0.000 0.426 130 N N 1.183 119.769 118.700 -0.191 0.000 2.043 130 N HA -0.113 4.627 4.740 0.000 0.000 0.193 130 N C 1.745 177.186 175.510 -0.115 0.000 1.037 130 N CA 2.016 54.944 53.050 -0.202 0.000 0.851 130 N CB -0.670 37.620 38.487 -0.328 0.000 1.027 130 N HN 0.500 nan 8.380 nan 0.000 0.422 131 A N -0.239 122.526 122.820 -0.093 0.000 1.873 131 A HA 0.088 4.408 4.320 0.000 0.000 0.215 131 A C 2.005 179.564 177.584 -0.041 0.000 1.186 131 A CA 1.879 53.883 52.037 -0.055 0.000 0.616 131 A CB -0.726 18.250 19.000 -0.040 0.000 0.823 131 A HN 0.396 nan 8.150 nan 0.000 0.442 132 G N -2.460 106.317 108.800 -0.039 0.000 3.274 132 G HA2 0.511 4.471 3.960 0.000 0.000 0.250 132 G HA3 0.511 4.471 3.960 0.000 0.000 0.250 132 G C 0.727 175.613 174.900 -0.024 0.000 1.024 132 G CA 0.585 45.669 45.100 -0.026 0.000 0.840 132 G HN 1.656 nan 8.290 nan 0.000 0.522 133 G N 0.140 108.921 108.800 -0.032 0.000 2.685 133 G HA2 -0.094 3.866 3.960 0.000 0.000 0.387 133 G HA3 -0.094 3.866 3.960 0.000 0.000 0.387 133 G C -1.620 173.269 174.900 -0.018 0.000 1.324 133 G CA -0.200 44.886 45.100 -0.025 0.000 0.878 133 G HN -0.005 nan 8.290 nan 0.000 0.527 134 P HA -0.029 nan 4.420 nan 0.000 0.217 134 P C 1.787 179.086 177.300 -0.002 0.000 1.150 134 P CA 1.434 64.531 63.100 -0.004 0.000 0.832 134 P CB -0.023 31.676 31.700 -0.002 0.000 0.787 135 R N -0.723 119.775 120.500 -0.003 0.000 2.307 135 R HA 0.035 4.375 4.340 0.000 0.000 0.199 135 R C 1.299 177.599 176.300 -0.001 0.000 1.000 135 R CA 0.629 56.728 56.100 -0.001 0.000 1.023 135 R CB -0.197 30.101 30.300 -0.002 0.000 0.908 135 R HN 0.078 nan 8.270 nan 0.000 0.473 136 K N 0.243 120.642 120.400 -0.003 0.000 2.459 136 K HA 0.091 4.411 4.320 0.000 0.000 0.193 136 K C 0.157 176.759 176.600 0.003 0.000 1.030 136 K CA 0.232 56.519 56.287 -0.002 0.000 1.026 136 K CB 0.439 32.934 32.500 -0.007 0.000 0.809 136 K HN -0.120 nan 8.250 nan 0.000 0.504 137 V N 1.485 121.402 119.914 0.006 0.000 2.455 137 V HA 0.091 4.211 4.120 0.000 0.000 0.273 137 V C 0.448 176.548 176.094 0.011 0.000 1.045 137 V CA -0.602 61.706 62.300 0.012 0.000 0.976 137 V CB 1.225 33.058 31.823 0.016 0.000 0.993 137 V HN 0.128 nan 8.190 nan 0.000 0.475 138 S N 6.433 122.140 115.700 0.013 0.000 2.560 138 S HA 0.143 4.613 4.470 0.000 0.000 0.284 138 S C -1.333 173.272 174.600 0.008 0.000 1.327 138 S CA -0.784 57.422 58.200 0.010 0.000 1.055 138 S CB 0.806 64.013 63.200 0.012 0.000 0.868 138 S HN 0.657 nan 8.310 nan 0.000 0.506 139 P HA 0.082 nan 4.420 nan 0.000 0.239 139 P C 0.414 177.716 177.300 0.002 0.000 1.184 139 P CA 0.724 63.826 63.100 0.003 0.000 0.760 139 P CB 0.063 31.764 31.700 0.001 0.000 0.884 140 L N -2.436 118.790 121.223 0.004 0.000 2.664 140 L HA 0.247 4.587 4.340 0.000 0.000 0.233 140 L C 2.201 179.075 176.870 0.006 0.000 1.113 140 L CA 0.185 55.027 54.840 0.003 0.000 0.896 140 L CB -0.531 41.530 42.059 0.003 0.000 1.163 140 L HN -0.096 nan 8.230 nan 0.000 0.497 141 A N 0.586 123.412 122.820 0.009 0.000 1.903 141 A HA -0.201 4.119 4.320 0.000 0.000 0.219 141 A C 2.283 179.873 177.584 0.010 0.000 1.191 141 A CA 2.206 54.251 52.037 0.013 0.000 0.638 141 A CB -0.762 18.249 19.000 0.018 0.000 0.823 141 A HN 0.165 nan 8.150 nan 0.000 0.451 142 V N 1.007 120.925 119.914 0.006 0.000 2.295 142 V HA -0.326 3.794 4.120 0.000 0.000 0.246 142 V C 2.790 178.882 176.094 -0.002 0.000 1.049 142 V CA 2.345 64.646 62.300 0.002 0.000 1.024 142 V CB -0.989 30.834 31.823 -0.000 0.000 0.648 142 V HN 0.936 nan 8.190 nan 0.000 0.447 143 Q N -0.818 118.980 119.800 -0.004 0.000 2.369 143 Q HA -0.097 4.243 4.340 0.000 0.000 0.206 143 Q C 1.990 177.986 176.000 -0.006 0.000 0.963 143 Q CA 1.501 57.299 55.803 -0.008 0.000 0.894 143 Q CB -0.246 28.486 28.738 -0.011 0.000 0.965 143 Q HN 0.529 nan 8.270 nan 0.000 0.475 144 M N -0.006 119.594 119.600 0.000 0.000 2.394 144 M HA 0.072 4.552 4.480 0.000 0.000 0.266 144 M C 1.896 178.201 176.300 0.009 0.000 1.098 144 M CA 0.927 56.230 55.300 0.005 0.000 1.149 144 M CB 0.148 32.755 32.600 0.012 0.000 1.369 144 M HN 0.230 nan 8.290 nan 0.000 0.450 145 I N 0.629 121.203 120.570 0.007 0.000 2.277 145 I HA -0.120 4.050 4.170 0.000 0.000 0.243 145 I C 1.343 177.461 176.117 0.001 0.000 1.094 145 I CA 0.093 61.397 61.300 0.007 0.000 1.393 145 I CB -0.143 37.861 38.000 0.006 0.000 1.078 145 I HN 0.325 nan 8.210 nan 0.000 0.417 146 M N 1.829 121.427 119.600 -0.004 0.000 2.240 146 M HA 0.028 4.508 4.480 0.000 0.000 0.346 146 M C -1.953 174.342 176.300 -0.009 0.000 1.236 146 M CA -0.759 54.536 55.300 -0.009 0.000 0.986 146 M CB -0.486 32.107 32.600 -0.013 0.000 1.786 146 M HN -0.218 nan 8.290 nan 0.000 0.457 147 P HA -0.136 nan 4.420 nan 0.000 0.220 147 P C 0.637 177.928 177.300 -0.014 0.000 1.148 147 P CA 1.393 64.488 63.100 -0.009 0.000 0.803 147 P CB -0.288 31.405 31.700 -0.011 0.000 0.782 148 N N -0.574 118.113 118.700 -0.021 0.000 2.521 148 N HA -0.022 4.718 4.740 0.000 0.000 0.188 148 N C 1.748 177.240 175.510 -0.031 0.000 1.146 148 N CA 0.969 54.002 53.050 -0.029 0.000 0.893 148 N CB -1.240 37.226 38.487 -0.035 0.000 0.975 148 N HN 0.087 nan 8.380 nan 0.000 0.451 149 G N 1.089 109.875 108.800 -0.024 0.000 2.418 149 G HA2 -0.183 3.777 3.960 0.000 0.000 0.217 149 G HA3 -0.183 3.777 3.960 0.000 0.000 0.217 149 G C 1.704 176.586 174.900 -0.030 0.000 1.158 149 G CA 1.311 46.396 45.100 -0.025 0.000 0.771 149 G HN 0.520 nan 8.290 nan 0.000 0.545 150 A N 1.278 124.083 122.820 -0.024 0.000 1.865 150 A HA 0.199 4.519 4.320 0.000 0.000 0.217 150 A C 2.843 180.403 177.584 -0.041 0.000 1.191 150 A CA 2.541 54.561 52.037 -0.029 0.000 0.623 150 A CB -0.936 18.055 19.000 -0.016 0.000 0.826 150 A HN 0.872 nan 8.150 nan 0.000 0.444 151 A N -0.393 122.403 122.820 -0.041 0.000 1.933 151 A HA 0.188 4.508 4.320 0.000 0.000 0.218 151 A C 2.477 180.015 177.584 -0.077 0.000 1.175 151 A CA 2.033 54.036 52.037 -0.056 0.000 0.628 151 A CB -0.928 18.041 19.000 -0.051 0.000 0.814 151 A HN 1.054 nan 8.150 nan 0.000 0.444 152 A N -0.620 122.159 122.820 -0.068 0.000 1.898 152 A HA 0.009 4.329 4.320 0.000 0.000 0.216 152 A C 2.231 179.766 177.584 -0.081 0.000 1.181 152 A CA 1.689 53.681 52.037 -0.075 0.000 0.620 152 A CB -0.946 18.020 19.000 -0.058 0.000 0.819 152 A HN 0.356 nan 8.150 nan 0.000 0.442 153 V N 0.006 119.879 119.914 -0.068 0.000 2.287 153 V HA -0.284 3.836 4.120 0.000 0.000 0.248 153 V C 2.437 178.479 176.094 -0.088 0.000 1.053 153 V CA 2.208 64.467 62.300 -0.069 0.000 1.027 153 V CB -0.592 31.197 31.823 -0.057 0.000 0.646 153 V HN 0.579 nan 8.190 nan 0.000 0.447 154 I N 0.244 120.759 120.570 -0.092 0.000 2.179 154 I HA -0.172 3.998 4.170 0.000 0.000 0.242 154 I C 2.576 178.592 176.117 -0.169 0.000 1.088 154 I CA 1.763 62.998 61.300 -0.108 0.000 1.357 154 I CB -0.882 37.070 38.000 -0.081 0.000 1.051 154 I HN 0.388 nan 8.210 nan 0.000 0.409 155 G N 0.742 109.428 108.800 -0.190 0.000 2.446 155 G HA2 -0.290 3.670 3.960 0.000 0.000 0.217 155 G HA3 -0.290 3.670 3.960 0.000 0.000 0.217 155 G C 1.628 176.396 174.900 -0.220 0.000 1.168 155 G CA 0.856 45.797 45.100 -0.265 0.000 0.771 155 G HN 0.270 nan 8.290 nan 0.000 0.551 156 L N 0.410 121.543 121.223 -0.151 0.000 2.083 156 L HA -0.013 4.327 4.340 0.000 0.000 0.209 156 L C 2.798 179.599 176.870 -0.116 0.000 1.083 156 L CA 2.418 57.189 54.840 -0.116 0.000 0.752 156 L CB -0.599 41.408 42.059 -0.085 0.000 0.899 156 L HN 0.460 nan 8.230 nan 0.000 0.433 157 Q N -0.776 118.948 119.800 -0.128 0.000 1.990 157 Q HA -0.173 4.167 4.340 0.000 0.000 0.200 157 Q C 2.122 178.010 176.000 -0.186 0.000 0.980 157 Q CA 1.955 57.681 55.803 -0.130 0.000 0.832 157 Q CB -0.185 28.483 28.738 -0.117 0.000 0.897 157 Q HN 0.585 nan 8.270 nan 0.000 0.427 158 L N -0.974 120.099 121.223 -0.251 0.000 2.341 158 L HA 0.159 4.499 4.340 0.000 0.000 0.214 158 L C 1.086 177.839 176.870 -0.194 0.000 1.115 158 L CA 0.606 55.214 54.840 -0.387 0.000 0.820 158 L CB 0.076 41.865 42.059 -0.449 0.000 0.944 158 L HN 0.622 nan 8.230 nan 0.000 0.452 159 G N 0.592 109.300 108.800 -0.154 0.000 2.215 159 G HA2 -0.128 3.832 3.960 0.000 0.000 0.198 159 G HA3 -0.128 3.832 3.960 0.000 0.000 0.198 159 G C 0.105 174.966 174.900 -0.064 0.000 1.047 159 G CA -0.173 44.888 45.100 -0.065 0.000 0.747 159 G HN 0.421 nan 8.290 nan 0.000 0.495 160 A N -0.054 122.542 122.820 -0.372 0.000 2.354 160 A HA 0.781 5.101 4.320 0.000 0.000 0.281 160 A C 1.080 178.507 177.584 -0.260 0.000 1.174 160 A CA 0.034 51.709 52.037 -0.604 0.000 0.828 160 A CB 0.349 18.683 19.000 -1.109 0.000 1.099 160 A HN 0.512 nan 8.150 nan 0.000 0.516 161 R N 2.163 122.593 120.500 -0.117 0.000 2.509 161 R HA 0.203 4.543 4.340 0.000 0.000 0.297 161 R C 1.007 177.284 176.300 -0.038 0.000 0.951 161 R CA 0.654 56.718 56.100 -0.060 0.000 1.103 161 R CB 0.841 31.133 30.300 -0.014 0.000 1.283 161 R HN 0.700 nan 8.270 nan 0.000 0.534 162 A N 0.987 123.786 122.820 -0.035 0.000 2.415 162 A HA 0.470 4.790 4.320 0.000 0.000 0.248 162 A C 0.451 178.006 177.584 -0.047 0.000 1.299 162 A CA 0.350 52.376 52.037 -0.018 0.000 0.899 162 A CB 0.329 19.342 19.000 0.022 0.000 0.997 162 A HN 0.281 nan 8.150 nan 0.000 0.506 163 G N -1.520 107.231 108.800 -0.082 0.000 2.653 163 G HA2 0.283 4.243 3.960 0.000 0.000 0.656 163 G HA3 0.283 4.243 3.960 0.000 0.000 0.656 163 G C -1.223 173.604 174.900 -0.120 0.000 1.419 163 G CA -0.376 44.672 45.100 -0.086 0.000 0.862 163 G HN 0.749 nan 8.290 nan 0.000 0.639 164 V N 3.679 123.527 119.914 -0.110 0.000 2.409 164 V HA 0.760 4.880 4.120 0.000 0.000 0.290 164 V C 0.346 176.387 176.094 -0.087 0.000 1.017 164 V CA -0.371 61.859 62.300 -0.116 0.000 0.841 164 V CB 1.474 33.220 31.823 -0.127 0.000 1.003 164 V HN 0.784 nan 8.190 nan 0.000 0.426 165 M N 3.296 122.851 119.600 -0.076 0.000 2.530 165 M HA 0.588 5.068 4.480 0.000 0.000 0.307 165 M C -0.705 175.562 176.300 -0.055 0.000 1.161 165 M CA -0.424 54.832 55.300 -0.073 0.000 0.903 165 M CB 2.786 35.333 32.600 -0.088 0.000 1.711 165 M HN 0.428 nan 8.290 nan 0.000 0.451 166 T N 2.875 117.394 114.554 -0.058 0.000 3.009 166 T HA 0.421 4.771 4.350 0.000 0.000 0.346 166 T C -2.535 172.140 174.700 -0.043 0.000 1.092 166 T CA -1.008 61.069 62.100 -0.038 0.000 1.080 166 T CB 0.593 69.441 68.868 -0.034 0.000 1.037 166 T HN 0.413 nan 8.240 nan 0.000 0.487 167 P HA 0.422 nan 4.420 nan 0.000 0.280 167 P C -0.690 176.598 177.300 -0.020 0.000 1.244 167 P CA -0.472 62.621 63.100 -0.012 0.000 0.784 167 P CB 1.107 32.868 31.700 0.101 0.000 0.913 168 V N 0.100 119.985 119.914 -0.049 0.000 2.531 168 V HA 0.696 4.816 4.120 0.000 0.000 0.301 168 V C 0.218 176.218 176.094 -0.156 0.000 1.034 168 V CA -0.564 61.698 62.300 -0.064 0.000 0.865 168 V CB 1.492 33.294 31.823 -0.035 0.000 0.995 168 V HN 0.637 nan 8.190 nan 0.000 0.424 169 S N 2.346 117.940 115.700 -0.178 0.000 2.949 169 S HA 0.756 5.226 4.470 0.000 0.000 0.246 169 S C 0.593 175.165 174.600 -0.047 0.000 0.899 169 S CA 0.611 58.581 58.200 -0.383 0.000 1.091 169 S CB 0.337 63.231 63.200 -0.509 0.000 1.199 169 S HN 2.675 nan 8.310 nan 0.000 0.507 170 A N 2.256 125.082 122.820 0.009 0.000 5.195 170 A HA -0.383 3.937 4.320 0.000 0.000 0.310 170 A C 1.264 178.844 177.584 -0.006 0.000 1.951 170 A CA 1.770 53.825 52.037 0.030 0.000 0.714 170 A CB -1.878 17.172 19.000 0.082 0.000 1.301 170 A HN 0.619 nan 8.150 nan 0.000 0.369 171 Q N 0.743 120.523 119.800 -0.033 0.000 2.472 171 Q HA 0.191 4.531 4.340 0.000 0.000 0.208 171 Q C 1.775 177.829 176.000 0.091 0.000 0.958 171 Q CA 1.372 57.197 55.803 0.036 0.000 0.932 171 Q CB -0.045 28.744 28.738 0.086 0.000 1.007 171 Q HN 0.931 nan 8.270 nan 0.000 0.508 172 S N -2.042 113.682 115.700 0.040 0.000 2.557 172 S HA 0.169 4.639 4.470 0.000 0.000 0.223 172 S C 1.499 176.098 174.600 -0.002 0.000 0.969 172 S CA -0.171 58.034 58.200 0.009 0.000 0.927 172 S CB 0.376 63.578 63.200 0.002 0.000 0.806 172 S HN 0.086 nan 8.310 nan 0.000 0.489 173 S N 2.397 118.096 115.700 -0.002 0.000 2.374 173 S HA -0.090 4.380 4.470 0.000 0.000 0.227 173 S C 2.102 176.709 174.600 0.011 0.000 1.037 173 S CA 1.625 59.822 58.200 -0.005 0.000 1.024 173 S CB -0.977 62.220 63.200 -0.005 0.000 0.861 173 S HN 0.753 nan 8.310 nan 0.000 0.456 174 G N 0.455 109.264 108.800 0.015 0.000 2.422 174 G HA2 -0.100 3.860 3.960 0.000 0.000 0.218 174 G HA3 -0.100 3.860 3.960 0.000 0.000 0.218 174 G C 1.537 176.450 174.900 0.022 0.000 1.140 174 G CA 0.898 46.011 45.100 0.021 0.000 0.775 174 G HN 0.518 nan 8.290 nan 0.000 0.545 175 S N -0.312 115.393 115.700 0.008 0.000 2.395 175 S HA -0.010 4.460 4.470 0.000 0.000 0.225 175 S C 2.071 176.663 174.600 -0.013 0.000 1.027 175 S CA 0.940 59.140 58.200 0.000 0.000 0.965 175 S CB -0.006 63.176 63.200 -0.030 0.000 0.812 175 S HN 0.617 nan 8.310 nan 0.000 0.482 176 E N 1.169 121.361 120.200 -0.013 0.000 2.204 176 E HA -0.075 4.275 4.350 0.000 0.000 0.194 176 E C 1.943 178.570 176.600 0.045 0.000 0.989 176 E CA 0.792 57.178 56.400 -0.024 0.000 0.824 176 E CB -0.138 29.568 29.700 0.009 0.000 0.756 176 E HN 0.471 nan 8.360 nan 0.000 0.477 177 A N 1.076 123.938 122.820 0.070 0.000 1.902 177 A HA -0.143 4.177 4.320 0.000 0.000 0.217 177 A C 2.116 179.757 177.584 0.095 0.000 1.181 177 A CA 1.131 53.227 52.037 0.099 0.000 0.623 177 A CB -0.487 18.552 19.000 0.064 0.000 0.818 177 A HN 0.322 nan 8.150 nan 0.000 0.443 178 I N -0.379 120.230 120.570 0.065 0.000 2.315 178 I HA -0.232 3.938 4.170 0.000 0.000 0.248 178 I C 2.955 179.102 176.117 0.049 0.000 1.117 178 I CA 0.855 62.199 61.300 0.073 0.000 1.404 178 I CB -0.367 37.685 38.000 0.087 0.000 1.071 178 I HN 0.370 nan 8.210 nan 0.000 0.419 179 A N 0.398 123.201 122.820 -0.029 0.000 1.883 179 A HA -0.251 4.069 4.320 0.000 0.000 0.217 179 A C 2.187 179.772 177.584 0.003 0.000 1.186 179 A CA 1.658 53.641 52.037 -0.091 0.000 0.624 179 A CB -0.869 17.994 19.000 -0.229 0.000 0.822 179 A HN 0.407 nan 8.150 nan 0.000 0.444 180 H N -0.747 118.370 119.070 0.079 0.000 2.462 180 H HA 0.119 4.675 4.556 -0.000 0.000 0.292 180 H C 2.476 177.837 175.328 0.055 0.000 1.049 180 H CA 1.113 57.197 56.048 0.061 0.000 1.334 180 H CB -0.342 29.435 29.762 0.024 0.000 1.404 180 H HN 0.534 nan 8.280 nan 0.000 0.544 181 A N 0.546 123.476 122.820 0.182 0.000 1.930 181 A HA -0.164 4.156 4.320 0.000 0.000 0.217 181 A C 2.333 179.990 177.584 0.122 0.000 1.175 181 A CA 1.085 53.197 52.037 0.126 0.000 0.627 181 A CB -0.951 18.122 19.000 0.121 0.000 0.815 181 A HN 0.515 nan 8.150 nan 0.000 0.443 182 W N 1.075 122.348 121.300 -0.045 0.000 2.332 182 W HA -0.239 4.421 4.660 -0.000 0.000 0.321 182 W C 2.366 178.817 176.519 -0.114 0.000 1.219 182 W CA 2.276 59.563 57.345 -0.098 0.000 1.277 182 W CB -0.346 29.018 29.460 -0.159 0.000 1.161 182 W HN 0.269 nan 8.180 nan 0.000 0.476 183 R N -0.289 120.178 120.500 -0.056 0.000 2.119 183 R HA -0.292 4.048 4.340 0.000 0.000 0.246 183 R C 2.165 178.326 176.300 -0.232 0.000 1.146 183 R CA 2.116 58.067 56.100 -0.248 0.000 0.962 183 R CB -0.947 29.365 30.300 0.020 0.000 0.863 183 R HN 0.284 nan 8.270 nan 0.000 0.442 184 Q N 0.818 120.560 119.800 -0.097 0.000 2.170 184 Q HA -0.080 4.260 4.340 0.000 0.000 0.203 184 Q C 1.824 177.756 176.000 -0.115 0.000 0.976 184 Q CA 1.387 57.145 55.803 -0.075 0.000 0.858 184 Q CB 0.035 28.762 28.738 -0.019 0.000 0.907 184 Q HN 0.396 nan 8.270 nan 0.000 0.433 185 I N -0.569 119.901 120.570 -0.167 0.000 2.277 185 I HA -0.152 4.018 4.170 0.000 0.000 0.243 185 I C 2.026 178.004 176.117 -0.231 0.000 1.094 185 I CA 1.018 62.219 61.300 -0.165 0.000 1.393 185 I CB -0.193 37.725 38.000 -0.136 0.000 1.078 185 I HN 0.238 nan 8.210 nan 0.000 0.417 186 V N -2.056 117.594 119.914 -0.441 0.000 2.871 186 V HA -0.079 4.041 4.120 0.000 0.000 0.256 186 V C 2.001 177.953 176.094 -0.237 0.000 1.082 186 V CA 1.092 63.134 62.300 -0.429 0.000 1.105 186 V CB -0.379 30.888 31.823 -0.926 0.000 0.713 186 V HN 0.327 nan 8.190 nan 0.000 0.473 187 M N 0.688 120.147 119.600 -0.234 0.000 2.595 187 M HA 0.302 4.782 4.480 0.000 0.000 0.248 187 M C 1.599 177.861 176.300 -0.064 0.000 1.119 187 M CA 1.112 56.346 55.300 -0.111 0.000 1.079 187 M CB 0.266 32.804 32.600 -0.102 0.000 1.472 187 M HN 0.722 nan 8.290 nan 0.000 0.501 188 G N 0.766 109.522 108.800 -0.073 0.000 2.148 188 G HA2 -0.218 3.742 3.960 0.000 0.000 0.203 188 G HA3 -0.218 3.742 3.960 0.000 0.000 0.203 188 G C 0.078 174.959 174.900 -0.032 0.000 0.993 188 G CA 0.357 45.432 45.100 -0.041 0.000 0.661 188 G HN 0.475 nan 8.290 nan 0.000 0.518 189 D N 0.155 120.530 120.400 -0.041 0.000 2.277 189 D HA 0.522 5.162 4.640 0.000 0.000 0.209 189 D C 1.401 177.693 176.300 -0.013 0.000 0.970 189 D CA 1.371 55.356 54.000 -0.025 0.000 0.874 189 D CB 0.397 41.179 40.800 -0.029 0.000 0.982 189 D HN 0.854 nan 8.370 nan 0.000 0.504 190 A N -0.143 122.665 122.820 -0.020 0.000 2.469 190 A HA 0.493 4.813 4.320 0.000 0.000 0.299 190 A C -0.533 177.031 177.584 -0.033 0.000 1.098 190 A CA -0.646 51.390 52.037 -0.002 0.000 0.737 190 A CB 1.497 20.513 19.000 0.026 0.000 1.312 190 A HN -0.177 nan 8.150 nan 0.000 0.414 191 D N -0.612 119.751 120.400 -0.061 0.000 2.388 191 D HA 0.235 4.875 4.640 0.000 0.000 0.208 191 D C 0.202 176.334 176.300 -0.280 0.000 1.035 191 D CA 1.067 54.973 54.000 -0.156 0.000 0.875 191 D CB 1.196 41.888 40.800 -0.180 0.000 0.984 191 D HN 0.399 nan 8.370 nan 0.000 0.508 192 V N -0.683 119.118 119.914 -0.188 0.000 3.114 192 V HA 0.837 4.957 4.120 0.000 0.000 0.308 192 V C -1.949 174.240 176.094 0.159 0.000 1.168 192 V CA -0.679 61.544 62.300 -0.128 0.000 1.015 192 V CB 2.171 33.800 31.823 -0.324 0.000 1.050 192 V HN 0.045 nan 8.190 nan 0.000 0.433 193 A N 3.859 126.813 122.820 0.223 0.000 2.555 193 A HA 0.738 5.058 4.320 0.000 0.000 0.297 193 A C -1.512 176.273 177.584 0.335 0.000 1.060 193 A CA -0.359 51.876 52.037 0.330 0.000 0.710 193 A CB 1.711 20.813 19.000 0.170 0.000 1.282 193 A HN 1.301 nan 8.150 nan 0.000 0.399 194 V N 1.458 121.613 119.914 0.402 0.000 2.465 194 V HA 0.566 4.686 4.120 0.000 0.000 0.279 194 V C 0.284 176.468 176.094 0.150 0.000 1.045 194 V CA 0.084 62.553 62.300 0.281 0.000 0.938 194 V CB 0.575 32.591 31.823 0.321 0.000 0.986 194 V HN 1.502 nan 8.190 nan 0.000 0.467 195 C N 2.482 121.858 119.300 0.126 0.000 3.173 195 C HA 1.082 5.542 4.460 0.000 0.000 0.310 195 C C 0.276 175.312 174.990 0.077 0.000 1.306 195 C CA -0.050 59.023 59.018 0.092 0.000 1.426 195 C CB 1.057 28.857 27.740 0.100 0.000 1.800 195 C HN 1.480 nan 8.230 nan 0.000 0.470 196 G N -0.021 108.815 108.800 0.061 0.000 2.366 196 G HA2 0.626 4.586 3.960 0.000 0.000 0.190 196 G HA3 0.626 4.586 3.960 0.000 0.000 0.190 196 G C -0.525 174.397 174.900 0.035 0.000 1.299 196 G CA 0.241 45.369 45.100 0.048 0.000 1.056 196 G HN 2.480 nan 8.290 nan 0.000 0.468 197 G N -1.296 107.521 108.800 0.028 0.000 2.720 197 G HA2 0.872 4.832 3.960 0.000 0.000 0.295 197 G HA3 0.872 4.832 3.960 0.000 0.000 0.295 197 G C -0.846 174.068 174.900 0.023 0.000 1.437 197 G CA 0.646 45.760 45.100 0.023 0.000 0.886 197 G HN 1.993 nan 8.290 nan 0.000 0.509 198 V N -1.816 118.112 119.914 0.023 0.000 3.001 198 V HA 1.013 5.133 4.120 0.000 0.000 0.314 198 V C -0.789 175.333 176.094 0.047 0.000 1.099 198 V CA -1.124 61.196 62.300 0.033 0.000 0.989 198 V CB 1.969 33.804 31.823 0.020 0.000 1.040 198 V HN 0.958 nan 8.190 nan 0.000 0.434 199 E N 0.539 120.787 120.200 0.079 0.000 2.407 199 E HA 0.693 5.043 4.350 0.000 0.000 0.279 199 E C -0.044 176.644 176.600 0.146 0.000 1.012 199 E CA 0.219 56.662 56.400 0.071 0.000 0.800 199 E CB 1.914 31.622 29.700 0.013 0.000 1.276 199 E HN 1.234 nan 8.360 nan 0.000 0.452 200 G N 1.474 110.301 108.800 0.045 0.000 2.621 200 G HA2 0.503 4.463 3.960 0.000 0.000 0.271 200 G HA3 0.503 4.463 3.960 0.000 0.000 0.271 200 G C -2.227 172.494 174.900 -0.298 0.000 1.236 200 G CA -0.912 44.108 45.100 -0.133 0.000 0.958 200 G HN 0.432 nan 8.290 nan 0.000 0.512 201 P HA 0.330 nan 4.420 nan 0.000 0.282 201 P C -0.165 176.985 177.300 -0.249 0.000 1.287 201 P CA -0.725 62.179 63.100 -0.327 0.000 0.792 201 P CB 0.809 32.280 31.700 -0.381 0.000 1.163 202 I N 0.854 121.367 120.570 -0.096 0.000 2.533 202 I HA 0.133 4.303 4.170 0.000 0.000 0.284 202 I C 0.961 177.119 176.117 0.069 0.000 1.109 202 I CA 0.693 61.939 61.300 -0.090 0.000 1.412 202 I CB -0.035 37.967 38.000 0.004 0.000 1.396 202 I HN 0.192 nan 8.210 nan 0.000 0.543 203 E N 3.477 123.609 120.200 -0.114 0.000 2.429 203 E HA 0.443 4.794 4.350 0.000 0.000 0.276 203 E C 0.304 176.584 176.600 -0.532 0.000 0.953 203 E CA -0.561 55.600 56.400 -0.398 0.000 0.787 203 E CB 1.981 31.501 29.700 -0.300 0.000 1.307 203 E HN 0.532 nan 8.360 nan 0.000 0.458 204 A N 1.302 123.535 122.820 -0.978 0.000 1.865 204 A HA -0.200 4.120 4.320 0.000 0.000 0.217 204 A C 1.860 179.231 177.584 -0.354 0.000 1.191 204 A CA 1.689 53.346 52.037 -0.632 0.000 0.623 204 A CB -0.480 18.156 19.000 -0.607 0.000 0.826 204 A HN 0.435 nan 8.150 nan 0.000 0.444 205 L N 0.454 121.478 121.223 -0.332 0.000 2.012 205 L HA -0.052 4.288 4.340 0.000 0.000 0.210 205 L C -0.637 176.181 176.870 -0.086 0.000 1.073 205 L CA 2.322 57.021 54.840 -0.235 0.000 0.748 205 L CB -1.621 40.316 42.059 -0.203 0.000 0.891 205 L HN 0.151 nan 8.230 nan 0.000 0.431 206 P HA -0.162 nan 4.420 nan 0.000 0.215 206 P C 2.151 179.740 177.300 0.481 0.000 1.153 206 P CA 1.658 64.900 63.100 0.238 0.000 0.853 206 P CB -0.005 31.786 31.700 0.150 0.000 0.788 207 I N -0.923 119.858 120.570 0.351 0.000 2.252 207 I HA -0.229 3.941 4.170 0.000 0.000 0.245 207 I C 2.308 178.515 176.117 0.150 0.000 1.102 207 I CA 1.349 62.837 61.300 0.315 0.000 1.385 207 I CB -0.798 37.344 38.000 0.236 0.000 1.064 207 I HN -0.089 nan 8.210 nan 0.000 0.414 208 A N 0.855 123.697 122.820 0.038 0.000 1.902 208 A HA -0.175 4.145 4.320 0.000 0.000 0.217 208 A C 2.526 180.101 177.584 -0.016 0.000 1.181 208 A CA 1.983 53.998 52.037 -0.035 0.000 0.623 208 A CB -0.755 18.151 19.000 -0.156 0.000 0.818 208 A HN 0.438 nan 8.150 nan 0.000 0.443 209 A N -1.620 121.193 122.820 -0.012 0.000 1.929 209 A HA 0.123 4.443 4.320 0.000 0.000 0.216 209 A C 1.917 179.451 177.584 -0.084 0.000 1.176 209 A CA 1.311 53.294 52.037 -0.089 0.000 0.628 209 A CB -0.601 18.294 19.000 -0.175 0.000 0.816 209 A HN 0.439 nan 8.150 nan 0.000 0.444 210 F N 1.106 121.105 119.950 0.083 0.000 2.293 210 F HA -0.084 4.443 4.527 -0.000 0.000 0.297 210 F C 2.765 178.569 175.800 0.007 0.000 1.089 210 F CA 1.544 59.611 58.000 0.113 0.000 1.377 210 F CB -0.072 39.024 39.000 0.160 0.000 1.051 210 F HN 0.303 nan 8.300 nan 0.000 0.511 211 S N -1.264 114.505 115.700 0.115 0.000 2.496 211 S HA -0.059 4.411 4.470 0.000 0.000 0.224 211 S C 1.817 176.425 174.600 0.013 0.000 0.996 211 S CA 0.387 58.595 58.200 0.013 0.000 0.927 211 S CB -0.240 62.941 63.200 -0.031 0.000 0.774 211 S HN 0.132 nan 8.310 nan 0.000 0.524 212 M N 1.303 120.910 119.600 0.012 0.000 2.476 212 M HA 0.271 4.751 4.480 0.000 0.000 0.262 212 M C 1.606 177.903 176.300 -0.005 0.000 1.079 212 M CA 0.901 56.196 55.300 -0.008 0.000 1.104 212 M CB -1.179 31.403 32.600 -0.029 0.000 1.409 212 M HN 0.434 nan 8.290 nan 0.000 0.467 213 M N -0.711 118.900 119.600 0.019 0.000 2.556 213 M HA 0.075 4.555 4.480 0.000 0.000 0.245 213 M C 0.052 176.379 176.300 0.045 0.000 1.128 213 M CA 0.208 55.524 55.300 0.027 0.000 1.069 213 M CB -0.024 32.614 32.600 0.062 0.000 1.469 213 M HN 0.169 nan 8.290 nan 0.000 0.494 214 R N -0.333 120.188 120.500 0.036 0.000 3.525 214 R HA -0.197 4.143 4.340 0.000 0.000 0.276 214 R C 0.657 176.981 176.300 0.040 0.000 1.116 214 R CA 0.330 56.440 56.100 0.017 0.000 0.745 214 R CB -2.556 27.749 30.300 0.008 0.000 1.185 214 R HN 0.538 nan 8.270 nan 0.000 0.454 215 A N -0.080 122.795 122.820 0.091 0.000 2.220 215 A HA 0.245 4.565 4.320 0.000 0.000 0.211 215 A C 0.935 178.489 177.584 -0.050 0.000 1.176 215 A CA 0.184 52.334 52.037 0.188 0.000 0.834 215 A CB 0.329 19.639 19.000 0.516 0.000 0.868 215 A HN 0.245 nan 8.150 nan 0.000 0.488 216 M N -0.229 119.189 119.600 -0.304 0.000 2.471 216 M HA 0.360 4.840 4.480 0.000 0.000 0.309 216 M C 0.300 176.398 176.300 -0.336 0.000 1.186 216 M CA -0.369 54.545 55.300 -0.642 0.000 1.008 216 M CB 1.523 33.673 32.600 -0.750 0.000 1.551 216 M HN 0.128 nan 8.290 nan 0.000 0.477 217 S N 0.275 115.772 115.700 -0.338 0.000 2.554 217 S HA 0.366 4.836 4.470 0.000 0.000 0.278 217 S C 0.390 174.897 174.600 -0.155 0.000 1.242 217 S CA -0.542 57.546 58.200 -0.186 0.000 1.051 217 S CB 0.549 63.661 63.200 -0.148 0.000 0.986 217 S HN 0.784 nan 8.310 nan 0.000 0.502 218 T N 1.599 116.094 114.554 -0.098 0.000 3.331 218 T HA 0.314 4.664 4.350 0.000 0.000 0.282 218 T C 0.481 175.152 174.700 -0.048 0.000 1.010 218 T CA -0.511 61.547 62.100 -0.070 0.000 0.928 218 T CB -0.276 68.561 68.868 -0.052 0.000 1.154 218 T HN 0.624 nan 8.240 nan 0.000 0.516 219 R N 1.721 122.190 120.500 -0.050 0.000 4.860 219 R HA 0.152 4.492 4.340 0.000 0.000 0.191 219 R C 0.468 176.750 176.300 -0.030 0.000 1.936 219 R CA -0.260 55.819 56.100 -0.033 0.000 1.609 219 R CB -0.446 29.836 30.300 -0.030 0.000 1.392 219 R HN 0.293 nan 8.270 nan 0.000 0.844 220 N N 1.584 120.268 118.700 -0.027 0.000 2.192 220 N HA -0.218 4.522 4.740 0.000 0.000 0.188 220 N C 0.942 176.447 175.510 -0.008 0.000 1.013 220 N CA 1.652 54.691 53.050 -0.018 0.000 0.863 220 N CB -0.052 38.429 38.487 -0.011 0.000 0.990 220 N HN 0.587 nan 8.380 nan 0.000 0.430 221 D N 0.678 121.074 120.400 -0.006 0.000 2.178 221 D HA -0.155 4.485 4.640 0.000 0.000 0.201 221 D C -0.094 176.208 176.300 0.002 0.000 0.980 221 D CA 1.039 55.039 54.000 -0.000 0.000 0.842 221 D CB -0.324 40.476 40.800 -0.001 0.000 0.948 221 D HN 0.406 nan 8.370 nan 0.000 0.472 222 E N 0.342 120.541 120.200 -0.002 0.000 2.914 222 E HA 0.212 4.562 4.350 0.000 0.000 0.246 222 E C -2.244 174.355 176.600 -0.002 0.000 1.146 222 E CA -1.728 54.673 56.400 0.002 0.000 0.803 222 E CB 2.068 31.770 29.700 0.003 0.000 1.409 222 E HN -0.049 nan 8.360 nan 0.000 0.392 223 P HA -0.236 nan 4.420 nan 0.000 0.216 223 P C 0.855 178.149 177.300 -0.010 0.000 1.157 223 P CA 1.361 64.454 63.100 -0.012 0.000 0.880 223 P CB 0.290 31.993 31.700 0.006 0.000 0.791 224 E N -0.923 119.282 120.200 0.009 0.000 2.418 224 E HA -0.091 4.259 4.350 0.000 0.000 0.197 224 E C 1.637 178.244 176.600 0.011 0.000 1.026 224 E CA 0.503 56.912 56.400 0.014 0.000 0.862 224 E CB -0.208 29.507 29.700 0.026 0.000 0.799 224 E HN 0.357 nan 8.360 nan 0.000 0.518 225 R N -0.265 120.238 120.500 0.006 0.000 2.362 225 R HA 0.243 4.583 4.340 0.000 0.000 0.227 225 R C 1.917 178.216 176.300 -0.002 0.000 0.905 225 R CA 0.400 56.505 56.100 0.008 0.000 1.067 225 R CB 0.402 30.708 30.300 0.009 0.000 1.078 225 R HN -0.000 nan 8.270 nan 0.000 0.516 226 A N 1.102 123.913 122.820 -0.016 0.000 1.930 226 A HA -0.041 4.279 4.320 0.000 0.000 0.217 226 A C 1.340 178.905 177.584 -0.033 0.000 1.175 226 A CA 0.883 52.901 52.037 -0.031 0.000 0.627 226 A CB 0.033 19.002 19.000 -0.052 0.000 0.815 226 A HN 0.164 nan 8.150 nan 0.000 0.443 227 S N 0.360 116.044 115.700 -0.028 0.000 2.416 227 S HA 0.466 4.936 4.470 0.000 0.000 0.287 227 S C -0.097 174.493 174.600 -0.017 0.000 1.139 227 S CA -0.641 57.541 58.200 -0.030 0.000 1.058 227 S CB -0.197 62.983 63.200 -0.033 0.000 0.967 227 S HN 0.401 nan 8.310 nan 0.000 0.495 228 R N 4.844 125.334 120.500 -0.017 0.000 2.681 228 R HA 0.287 4.627 4.340 0.000 0.000 0.277 228 R C -2.839 173.459 176.300 -0.003 0.000 1.563 228 R CA -1.699 54.413 56.100 0.019 0.000 1.673 228 R CB 1.027 31.351 30.300 0.040 0.000 1.258 228 R HN 0.452 nan 8.270 nan 0.000 0.650 229 P HA -0.040 nan 4.420 nan 0.000 0.263 229 P C -0.178 177.060 177.300 -0.103 0.000 1.195 229 P CA 0.341 63.256 63.100 -0.307 0.000 0.762 229 P CB 0.251 31.680 31.700 -0.451 0.000 0.799 230 F N -0.787 119.226 119.950 0.106 0.000 2.656 230 F HA -0.223 4.304 4.527 -0.000 0.000 0.381 230 F C 0.603 176.555 175.800 0.254 0.000 0.603 230 F CA 0.797 58.895 58.000 0.163 0.000 1.335 230 F CB -2.499 36.574 39.000 0.123 0.000 1.836 230 F HN 0.274 nan 8.300 nan 0.000 0.290 231 D N 0.532 121.120 120.400 0.314 0.000 2.256 231 D HA 0.282 4.922 4.640 0.000 0.000 0.250 231 D C 1.138 177.505 176.300 0.113 0.000 1.093 231 D CA -0.170 53.949 54.000 0.197 0.000 0.882 231 D CB 1.156 42.042 40.800 0.143 0.000 1.185 231 D HN 0.164 nan 8.370 nan 0.000 0.437 232 K N 1.899 122.339 120.400 0.066 0.000 2.218 232 K HA -0.160 4.160 4.320 0.000 0.000 0.205 232 K C 0.111 176.732 176.600 0.034 0.000 1.046 232 K CA 1.349 57.663 56.287 0.045 0.000 0.933 232 K CB 0.185 32.695 32.500 0.018 0.000 0.728 232 K HN 0.465 nan 8.250 nan 0.000 0.454 233 D N 0.684 121.101 120.400 0.029 0.000 2.368 233 D HA -0.021 4.619 4.640 0.000 0.000 0.218 233 D C -0.057 176.253 176.300 0.017 0.000 1.112 233 D CA 0.060 54.070 54.000 0.018 0.000 0.834 233 D CB 0.118 40.924 40.800 0.010 0.000 0.953 233 D HN 0.362 nan 8.370 nan 0.000 0.505 234 R N 1.571 122.086 120.500 0.026 0.000 2.594 234 R HA 0.140 4.480 4.340 0.000 0.000 0.272 234 R C -0.219 176.085 176.300 0.006 0.000 1.074 234 R CA 0.135 56.243 56.100 0.013 0.000 1.105 234 R CB 0.493 30.800 30.300 0.012 0.000 1.008 234 R HN -0.193 nan 8.270 nan 0.000 0.472 235 D N 0.909 121.304 120.400 -0.008 0.000 2.940 235 D HA 0.241 4.881 4.640 0.000 0.000 0.366 235 D C 0.092 176.375 176.300 -0.030 0.000 1.446 235 D CA 0.029 54.021 54.000 -0.014 0.000 0.780 235 D CB 0.312 41.099 40.800 -0.022 0.000 1.206 235 D HN 0.945 nan 8.370 nan 0.000 0.454 236 G N 0.480 109.275 108.800 -0.007 0.000 2.541 236 G HA2 0.121 4.081 3.960 0.000 0.000 0.686 236 G HA3 0.121 4.081 3.960 0.000 0.000 0.686 236 G C -0.426 174.466 174.900 -0.013 0.000 1.286 236 G CA -0.676 44.426 45.100 0.005 0.000 0.894 236 G HN 0.415 nan 8.290 nan 0.000 0.575 237 F N -0.632 119.281 119.950 -0.061 0.000 2.403 237 F HA 0.798 5.325 4.527 -0.000 0.000 0.320 237 F C 0.369 176.077 175.800 -0.154 0.000 1.176 237 F CA -1.152 56.793 58.000 -0.091 0.000 1.206 237 F CB 1.029 40.017 39.000 -0.020 0.000 1.235 237 F HN 0.442 nan 8.300 nan 0.000 0.565 238 V N 2.497 122.407 119.914 -0.007 0.000 2.628 238 V HA 0.267 4.387 4.120 0.000 0.000 0.306 238 V C -0.510 175.672 176.094 0.148 0.000 1.045 238 V CA -0.806 61.431 62.300 -0.106 0.000 0.905 238 V CB 1.398 33.188 31.823 -0.055 0.000 0.997 238 V HN 0.618 nan 8.190 nan 0.000 0.436 239 F N 2.736 122.690 119.950 0.007 0.000 2.504 239 F HA 0.574 5.101 4.527 0.000 0.000 0.369 239 F C 0.985 176.769 175.800 -0.026 0.000 1.082 239 F CA -0.498 57.521 58.000 0.032 0.000 1.216 239 F CB 0.893 39.867 39.000 -0.043 0.000 1.108 239 F HN 0.532 nan 8.300 nan 0.000 0.554 240 G N 4.145 113.081 108.800 0.225 0.000 2.702 240 G HA2 0.420 4.380 3.960 0.000 0.000 0.295 240 G HA3 0.420 4.380 3.960 0.000 0.000 0.295 240 G C -0.884 174.054 174.900 0.063 0.000 1.446 240 G CA -0.658 44.496 45.100 0.090 0.000 0.983 240 G HN 0.530 nan 8.290 nan 0.000 0.520 241 E N 0.253 120.477 120.200 0.040 0.000 2.404 241 E HA 0.531 4.881 4.350 0.000 0.000 0.261 241 E C 0.336 176.977 176.600 0.068 0.000 1.074 241 E CA 0.530 56.955 56.400 0.043 0.000 0.917 241 E CB 1.327 31.081 29.700 0.089 0.000 0.965 241 E HN 0.822 nan 8.360 nan 0.000 0.433 242 A N 1.044 123.904 122.820 0.067 0.000 2.550 242 A HA 0.646 4.966 4.320 0.000 0.000 0.295 242 A C -1.063 176.557 177.584 0.060 0.000 1.001 242 A CA -0.194 51.882 52.037 0.064 0.000 0.660 242 A CB 1.473 20.502 19.000 0.049 0.000 1.308 242 A HN 0.630 nan 8.150 nan 0.000 0.426 243 G N -0.695 108.134 108.800 0.048 0.000 2.753 243 G HA2 0.890 4.850 3.960 0.000 0.000 0.295 243 G HA3 0.890 4.850 3.960 0.000 0.000 0.295 243 G C -0.777 174.137 174.900 0.023 0.000 1.437 243 G CA 0.521 45.643 45.100 0.035 0.000 1.094 243 G HN 2.148 nan 8.290 nan 0.000 0.540 244 A N 1.779 124.610 122.820 0.019 0.000 2.486 244 A HA 0.906 5.226 4.320 0.000 0.000 0.300 244 A C -1.135 176.461 177.584 0.021 0.000 1.048 244 A CA -0.552 51.494 52.037 0.015 0.000 0.696 244 A CB 1.457 20.461 19.000 0.007 0.000 1.278 244 A HN 0.806 nan 8.150 nan 0.000 0.405 245 L N 2.184 123.422 121.223 0.026 0.000 2.401 245 L HA 0.778 5.118 4.340 0.000 0.000 0.266 245 L C -0.322 176.577 176.870 0.047 0.000 0.991 245 L CA -0.597 54.270 54.840 0.045 0.000 0.818 245 L CB 2.263 44.357 42.059 0.059 0.000 1.321 245 L HN 0.967 nan 8.230 nan 0.000 0.413 246 M N 1.940 121.580 119.600 0.066 0.000 2.518 246 M HA 0.653 5.133 4.480 0.000 0.000 0.300 246 M C -1.653 174.706 176.300 0.099 0.000 1.175 246 M CA -0.811 54.527 55.300 0.064 0.000 0.890 246 M CB 2.520 35.154 32.600 0.056 0.000 1.710 246 M HN 0.348 nan 8.290 nan 0.000 0.453 247 L N 4.383 125.655 121.223 0.083 0.000 2.307 247 L HA 0.795 5.135 4.340 0.000 0.000 0.282 247 L C -0.938 175.976 176.870 0.073 0.000 1.051 247 L CA -0.523 54.375 54.840 0.096 0.000 0.804 247 L CB 1.359 43.443 42.059 0.040 0.000 1.197 247 L HN 0.851 nan 8.230 nan 0.000 0.431 248 I N 1.838 122.462 120.570 0.090 0.000 2.769 248 I HA 0.807 4.978 4.170 0.000 0.000 0.298 248 I C -1.270 174.874 176.117 0.046 0.000 1.128 248 I CA -0.495 60.852 61.300 0.078 0.000 1.031 248 I CB 2.338 40.409 38.000 0.117 0.000 1.235 248 I HN 0.813 nan 8.210 nan 0.000 0.423 249 E N 2.107 122.326 120.200 0.032 0.000 2.447 249 E HA 0.328 4.678 4.350 0.000 0.000 0.279 249 E C -1.164 175.458 176.600 0.037 0.000 1.053 249 E CA -0.920 55.472 56.400 -0.014 0.000 0.840 249 E CB 1.491 31.160 29.700 -0.053 0.000 1.409 249 E HN 0.741 nan 8.360 nan 0.000 0.461 250 T N -1.988 112.588 114.554 0.037 0.000 2.900 250 T HA 0.035 4.385 4.350 0.000 0.000 0.307 250 T C 1.020 175.784 174.700 0.106 0.000 1.065 250 T CA 0.264 62.410 62.100 0.077 0.000 1.105 250 T CB 1.326 70.240 68.868 0.075 0.000 0.979 250 T HN 0.715 nan 8.240 nan 0.000 0.544 251 E N 0.655 120.921 120.200 0.110 0.000 2.085 251 E HA -0.264 4.086 4.350 0.000 0.000 0.194 251 E C 2.004 178.662 176.600 0.097 0.000 0.994 251 E CA 1.687 58.156 56.400 0.116 0.000 0.801 251 E CB -0.107 29.686 29.700 0.155 0.000 0.743 251 E HN 0.932 nan 8.360 nan 0.000 0.453 252 E N -0.125 120.132 120.200 0.096 0.000 2.049 252 E HA -0.311 4.039 4.350 0.000 0.000 0.198 252 E C 2.219 178.863 176.600 0.074 0.000 1.007 252 E CA 1.547 57.993 56.400 0.077 0.000 0.809 252 E CB -0.338 29.407 29.700 0.075 0.000 0.749 252 E HN 0.430 nan 8.360 nan 0.000 0.450 253 H N -0.166 118.906 119.070 0.005 0.000 2.353 253 H HA -0.098 4.458 4.556 0.000 0.000 0.300 253 H C 1.921 177.229 175.328 -0.033 0.000 1.090 253 H CA 1.727 57.767 56.048 -0.014 0.000 1.327 253 H CB -0.049 29.704 29.762 -0.014 0.000 1.383 253 H HN 0.335 nan 8.280 nan 0.000 0.508 254 A N 1.421 124.289 122.820 0.079 0.000 1.877 254 A HA -0.171 4.149 4.320 0.000 0.000 0.216 254 A C 2.469 180.022 177.584 -0.052 0.000 1.186 254 A CA 1.629 53.661 52.037 -0.009 0.000 0.620 254 A CB -0.583 18.404 19.000 -0.020 0.000 0.822 254 A HN 0.388 nan 8.150 nan 0.000 0.443 255 K N -0.362 120.028 120.400 -0.017 0.000 2.074 255 K HA -0.201 4.119 4.320 0.000 0.000 0.209 255 K C 2.115 178.686 176.600 -0.048 0.000 1.048 255 K CA 1.463 57.742 56.287 -0.013 0.000 0.926 255 K CB -0.313 32.199 32.500 0.020 0.000 0.713 255 K HN 0.422 nan 8.250 nan 0.000 0.444 256 A N 1.675 124.444 122.820 -0.085 0.000 1.968 256 A HA -0.151 4.170 4.320 0.000 0.000 0.217 256 A C 1.805 179.310 177.584 -0.132 0.000 1.169 256 A CA 1.401 53.371 52.037 -0.112 0.000 0.638 256 A CB -0.311 18.597 19.000 -0.153 0.000 0.812 256 A HN 0.527 nan 8.150 nan 0.000 0.446 257 R N -1.285 119.114 120.500 -0.168 0.000 2.427 257 R HA 0.386 4.726 4.340 0.000 0.000 0.262 257 R C 0.870 177.101 176.300 -0.115 0.000 0.943 257 R CA 0.503 56.509 56.100 -0.157 0.000 1.081 257 R CB -0.607 29.567 30.300 -0.210 0.000 1.166 257 R HN 0.643 nan 8.270 nan 0.000 0.534 258 G N 0.505 109.250 108.800 -0.090 0.000 2.273 258 G HA2 -0.315 3.645 3.960 0.000 0.000 0.280 258 G HA3 -0.315 3.645 3.960 0.000 0.000 0.280 258 G C 0.138 174.990 174.900 -0.080 0.000 1.047 258 G CA 0.193 45.251 45.100 -0.070 0.000 0.869 258 G HN 0.692 nan 8.290 nan 0.000 0.502 259 A N -0.529 122.234 122.820 -0.095 0.000 2.309 259 A HA 0.780 5.100 4.320 0.000 0.000 0.298 259 A C 0.351 177.861 177.584 -0.123 0.000 1.165 259 A CA -0.083 51.888 52.037 -0.110 0.000 0.821 259 A CB 0.971 19.899 19.000 -0.120 0.000 1.102 259 A HN 0.799 nan 8.150 nan 0.000 0.500 260 K N 3.208 123.528 120.400 -0.132 0.000 2.263 260 K HA 0.562 4.882 4.320 0.000 0.000 0.272 260 K C -2.893 173.559 176.600 -0.246 0.000 1.033 260 K CA -1.984 54.200 56.287 -0.172 0.000 0.884 260 K CB 0.742 33.183 32.500 -0.099 0.000 1.107 260 K HN 0.354 nan 8.250 nan 0.000 0.460 261 P HA 0.134 nan 4.420 nan 0.000 0.275 261 P C 0.031 177.153 177.300 -0.298 0.000 1.227 261 P CA -0.349 62.477 63.100 -0.457 0.000 0.781 261 P CB 0.764 31.946 31.700 -0.864 0.000 0.906 262 L N 0.568 121.703 121.223 -0.147 0.000 2.375 262 L HA 0.369 4.709 4.340 0.000 0.000 0.215 262 L C 1.058 177.927 176.870 -0.001 0.000 1.108 262 L CA 0.570 55.366 54.840 -0.074 0.000 0.830 262 L CB -0.327 41.679 42.059 -0.089 0.000 0.959 262 L HN 0.467 nan 8.230 nan 0.000 0.457 263 A N -0.079 122.766 122.820 0.042 0.000 2.552 263 A HA 0.687 5.007 4.320 0.000 0.000 0.308 263 A C -1.291 176.415 177.584 0.203 0.000 1.114 263 A CA -0.738 51.388 52.037 0.148 0.000 0.610 263 A CB 0.939 20.014 19.000 0.125 0.000 1.402 263 A HN 0.068 nan 8.150 nan 0.000 0.563 264 R N -0.759 119.892 120.500 0.252 0.000 2.686 264 R HA 0.634 4.974 4.340 0.000 0.000 0.286 264 R C -1.594 174.819 176.300 0.188 0.000 0.969 264 R CA -0.744 55.493 56.100 0.230 0.000 0.898 264 R CB 2.061 32.501 30.300 0.234 0.000 1.183 264 R HN 0.494 nan 8.270 nan 0.000 0.456 265 L N 4.286 125.555 121.223 0.076 0.000 2.259 265 L HA 0.291 4.631 4.340 0.000 0.000 0.288 265 L C -0.051 176.692 176.870 -0.211 0.000 1.051 265 L CA 0.112 54.807 54.840 -0.241 0.000 0.824 265 L CB 0.775 42.721 42.059 -0.188 0.000 1.206 265 L HN 0.777 nan 8.230 nan 0.000 0.429 266 L N 4.300 125.323 121.223 -0.334 0.000 2.408 266 L HA 0.514 4.854 4.340 0.000 0.000 0.215 266 L C 0.959 177.577 176.870 -0.421 0.000 1.081 266 L CA 0.413 55.154 54.840 -0.165 0.000 0.840 266 L CB -0.138 41.886 42.059 -0.058 0.000 1.002 266 L HN 0.775 nan 8.230 nan 0.000 0.468 267 G N -0.491 107.702 108.800 -1.012 0.000 2.377 267 G HA2 0.581 4.541 3.960 0.000 0.000 0.297 267 G HA3 0.581 4.541 3.960 0.000 0.000 0.297 267 G C -2.080 172.075 174.900 -1.241 0.000 1.547 267 G CA 0.020 44.202 45.100 -1.530 0.000 0.833 267 G HN 0.046 nan 8.290 nan 0.000 0.583 268 A N -0.838 121.284 122.820 -1.165 0.000 2.384 268 A HA 1.030 5.350 4.320 0.000 0.000 0.312 268 A C 0.118 177.531 177.584 -0.285 0.000 1.113 268 A CA -0.224 51.469 52.037 -0.575 0.000 0.779 268 A CB 2.099 20.851 19.000 -0.413 0.000 1.307 268 A HN 2.234 nan 8.150 nan 0.000 0.436 269 G N 0.174 108.861 108.800 -0.188 0.000 2.732 269 G HA2 0.581 4.541 3.960 0.000 0.000 0.295 269 G HA3 0.581 4.541 3.960 0.000 0.000 0.295 269 G C -1.337 173.530 174.900 -0.056 0.000 1.456 269 G CA -0.272 44.773 45.100 -0.092 0.000 1.050 269 G HN 0.616 nan 8.290 nan 0.000 0.525 270 I N 2.490 123.046 120.570 -0.023 0.000 2.447 270 I HA 0.522 4.692 4.170 0.000 0.000 0.287 270 I C 0.293 176.439 176.117 0.049 0.000 1.023 270 I CA -0.612 60.694 61.300 0.010 0.000 1.083 270 I CB 2.467 40.457 38.000 -0.016 0.000 1.245 270 I HN 0.666 nan 8.210 nan 0.000 0.434 271 T N 1.538 116.137 114.554 0.076 0.000 2.716 271 T HA 0.824 5.174 4.350 0.000 0.000 0.286 271 T C -0.422 174.335 174.700 0.095 0.000 1.052 271 T CA -0.739 61.406 62.100 0.075 0.000 1.024 271 T CB 2.013 70.914 68.868 0.056 0.000 1.349 271 T HN 0.542 nan 8.240 nan 0.000 0.525 272 S N -0.811 114.930 115.700 0.068 0.000 2.579 272 S HA 0.558 5.028 4.470 0.000 0.000 0.272 272 S C -0.607 174.010 174.600 0.028 0.000 1.141 272 S CA -0.787 57.444 58.200 0.051 0.000 0.843 272 S CB 1.803 65.035 63.200 0.053 0.000 1.122 272 S HN 0.620 nan 8.310 nan 0.000 0.468 273 D N 0.992 121.405 120.400 0.023 0.000 2.271 273 D HA 0.294 4.934 4.640 0.000 0.000 0.206 273 D C 1.246 177.595 176.300 0.082 0.000 0.967 273 D CA 1.268 55.296 54.000 0.047 0.000 0.867 273 D CB -0.434 40.423 40.800 0.095 0.000 0.960 273 D HN 1.131 nan 8.370 nan 0.000 0.509 274 A N 0.043 122.898 122.820 0.059 0.000 2.364 274 A HA -0.250 4.070 4.320 0.000 0.000 0.288 274 A C 0.645 178.313 177.584 0.140 0.000 1.433 274 A CA 1.001 53.074 52.037 0.059 0.000 0.757 274 A CB -2.081 16.946 19.000 0.044 0.000 1.098 274 A HN 0.390 nan 8.150 nan 0.000 0.380 275 F N -0.876 119.066 119.950 -0.014 0.000 2.421 275 F HA 0.390 4.917 4.527 -0.000 0.000 0.270 275 F C 0.609 176.454 175.800 0.075 0.000 0.894 275 F CA 1.157 59.168 58.000 0.018 0.000 1.128 275 F CB 0.498 39.504 39.000 0.009 0.000 1.011 275 F HN 0.597 nan 8.300 nan 0.000 0.788 276 H N 0.270 119.078 119.070 -0.437 0.000 3.037 276 H HA 0.313 4.869 4.556 -0.000 0.000 0.355 276 H C 0.334 175.497 175.328 -0.275 0.000 1.263 276 H CA -0.475 55.230 56.048 -0.571 0.000 1.129 276 H CB 1.978 31.191 29.762 -0.914 0.000 1.861 276 H HN -0.011 nan 8.280 nan 0.000 0.546 277 M N 2.483 121.640 119.600 -0.739 0.000 2.319 277 M HA -0.063 4.417 4.480 0.000 0.000 0.265 277 M C 1.636 177.796 176.300 -0.234 0.000 1.068 277 M CA 1.325 56.376 55.300 -0.414 0.000 1.118 277 M CB -0.323 32.007 32.600 -0.449 0.000 1.395 277 M HN 0.540 nan 8.290 nan 0.000 0.435 278 V N -4.577 115.247 119.914 -0.149 0.000 3.368 278 V HA 0.514 4.634 4.120 0.000 0.000 0.255 278 V C 0.864 176.917 176.094 -0.069 0.000 1.466 278 V CA -0.034 62.033 62.300 -0.389 0.000 1.095 278 V CB -0.610 30.711 31.823 -0.837 0.000 0.899 278 V HN 0.098 nan 8.190 nan 0.000 0.440 279 A N 2.544 125.492 122.820 0.214 0.000 2.310 279 A HA 0.858 5.178 4.320 0.000 0.000 0.299 279 A C -2.752 174.984 177.584 0.253 0.000 1.147 279 A CA -1.539 50.553 52.037 0.092 0.000 0.818 279 A CB 0.146 19.009 19.000 -0.228 0.000 1.096 279 A HN 0.395 nan 8.150 nan 0.000 0.495 280 P HA 0.424 nan 4.420 nan 0.000 0.290 280 P C -0.278 177.082 177.300 0.100 0.000 1.276 280 P CA -0.236 62.947 63.100 0.138 0.000 0.808 280 P CB 1.224 32.922 31.700 -0.003 0.000 0.966 281 A N 3.003 125.807 122.820 -0.027 0.000 2.565 281 A HA 0.285 4.605 4.320 0.000 0.000 0.237 281 A C 1.678 179.033 177.584 -0.381 0.000 1.053 281 A CA 0.549 52.274 52.037 -0.520 0.000 0.755 281 A CB -0.474 18.291 19.000 -0.392 0.000 0.980 281 A HN 0.624 nan 8.150 nan 0.000 0.506 282 A N 2.051 124.591 122.820 -0.466 0.000 1.933 282 A HA -0.135 4.185 4.320 0.000 0.000 0.218 282 A C 1.612 179.086 177.584 -0.184 0.000 1.175 282 A CA 1.915 53.804 52.037 -0.248 0.000 0.628 282 A CB -0.549 18.319 19.000 -0.220 0.000 0.814 282 A HN 0.953 nan 8.150 nan 0.000 0.444 283 D N -1.104 119.170 120.400 -0.209 0.000 2.348 283 D HA 0.127 4.767 4.640 0.000 0.000 0.216 283 D C 1.277 177.506 176.300 -0.119 0.000 0.970 283 D CA 0.983 54.899 54.000 -0.140 0.000 0.889 283 D CB -1.091 39.630 40.800 -0.132 0.000 0.912 283 D HN 0.819 nan 8.370 nan 0.000 0.524 284 G N -0.030 108.681 108.800 -0.150 0.000 2.258 284 G HA2 -0.317 3.643 3.960 0.000 0.000 0.274 284 G HA3 -0.317 3.643 3.960 0.000 0.000 0.274 284 G C 0.994 175.829 174.900 -0.108 0.000 1.021 284 G CA 0.641 45.653 45.100 -0.146 0.000 0.798 284 G HN 0.376 nan 8.290 nan 0.000 0.507 285 V N -0.114 119.741 119.914 -0.099 0.000 2.346 285 V HA -0.053 4.067 4.120 0.000 0.000 0.244 285 V C 2.816 178.881 176.094 -0.048 0.000 1.037 285 V CA 2.103 64.365 62.300 -0.063 0.000 1.029 285 V CB -0.324 31.464 31.823 -0.058 0.000 0.663 285 V HN 0.416 nan 8.190 nan 0.000 0.454 286 R N 0.445 120.911 120.500 -0.057 0.000 2.115 286 R HA 0.116 4.456 4.340 0.000 0.000 0.226 286 R C 2.266 178.552 176.300 -0.024 0.000 1.100 286 R CA 1.277 57.359 56.100 -0.030 0.000 0.980 286 R CB -1.150 29.137 30.300 -0.022 0.000 0.875 286 R HN 0.518 nan 8.270 nan 0.000 0.445 287 A N 0.583 123.352 122.820 -0.085 0.000 1.855 287 A HA -0.035 4.285 4.320 0.000 0.000 0.215 287 A C 2.387 180.000 177.584 0.049 0.000 1.191 287 A CA 1.720 53.708 52.037 -0.082 0.000 0.613 287 A CB -1.165 17.569 19.000 -0.444 0.000 0.829 287 A HN 0.374 nan 8.150 nan 0.000 0.442 288 G N -0.630 108.175 108.800 0.008 0.000 2.462 288 G HA2 -0.254 3.706 3.960 0.000 0.000 0.220 288 G HA3 -0.254 3.706 3.960 0.000 0.000 0.220 288 G C 1.627 176.543 174.900 0.027 0.000 1.121 288 G CA 1.276 46.395 45.100 0.032 0.000 0.758 288 G HN 0.508 nan 8.290 nan 0.000 0.559 289 R N 1.131 121.641 120.500 0.017 0.000 2.148 289 R HA 0.209 4.550 4.340 0.000 0.000 0.223 289 R C 2.516 178.831 176.300 0.025 0.000 1.088 289 R CA 1.521 57.631 56.100 0.016 0.000 0.985 289 R CB -0.663 29.644 30.300 0.011 0.000 0.880 289 R HN 0.204 nan 8.270 nan 0.000 0.451 290 A N 0.136 122.984 122.820 0.046 0.000 1.930 290 A HA -0.015 4.305 4.320 0.000 0.000 0.215 290 A C 2.129 179.723 177.584 0.017 0.000 1.176 290 A CA 1.291 53.354 52.037 0.043 0.000 0.632 290 A CB -0.340 18.714 19.000 0.090 0.000 0.819 290 A HN 0.363 nan 8.150 nan 0.000 0.445 291 M N -0.840 118.782 119.600 0.036 0.000 2.086 291 M HA -0.132 4.348 4.480 0.000 0.000 0.261 291 M C 2.275 178.568 176.300 -0.013 0.000 1.067 291 M CA 2.031 57.337 55.300 0.009 0.000 1.116 291 M CB -0.965 31.654 32.600 0.032 0.000 1.348 291 M HN 0.371 nan 8.290 nan 0.000 0.407 292 T N -0.060 114.493 114.554 -0.002 0.000 2.684 292 T HA -0.186 4.164 4.350 0.000 0.000 0.267 292 T C 1.832 176.523 174.700 -0.015 0.000 1.036 292 T CA 1.683 63.778 62.100 -0.008 0.000 1.148 292 T CB -0.328 68.540 68.868 -0.000 0.000 0.863 292 T HN 0.196 nan 8.240 nan 0.000 0.436 293 R N 1.781 122.275 120.500 -0.010 0.000 2.091 293 R HA -0.092 4.248 4.340 0.000 0.000 0.238 293 R C 2.587 178.862 176.300 -0.041 0.000 1.136 293 R CA 2.218 58.312 56.100 -0.009 0.000 0.959 293 R CB -1.014 29.286 30.300 -0.000 0.000 0.856 293 R HN 0.499 nan 8.270 nan 0.000 0.437 294 S N -0.484 115.167 115.700 -0.081 0.000 2.423 294 S HA -0.069 4.401 4.470 0.000 0.000 0.231 294 S C 1.995 176.509 174.600 -0.144 0.000 1.014 294 S CA 1.097 59.200 58.200 -0.162 0.000 0.965 294 S CB -0.350 62.738 63.200 -0.188 0.000 0.785 294 S HN 0.380 nan 8.310 nan 0.000 0.495 295 L N 0.901 122.072 121.223 -0.087 0.000 2.068 295 L HA 0.035 4.375 4.340 0.000 0.000 0.204 295 L C 2.924 179.766 176.870 -0.046 0.000 1.076 295 L CA 1.409 56.203 54.840 -0.078 0.000 0.753 295 L CB -0.670 41.353 42.059 -0.060 0.000 0.910 295 L HN 0.352 nan 8.230 nan 0.000 0.439 296 E N 0.496 120.686 120.200 -0.016 0.000 2.085 296 E HA -0.232 4.118 4.350 0.000 0.000 0.194 296 E C 2.301 178.944 176.600 0.073 0.000 0.994 296 E CA 1.169 57.581 56.400 0.020 0.000 0.801 296 E CB -0.150 29.568 29.700 0.030 0.000 0.743 296 E HN 0.460 nan 8.360 nan 0.000 0.453 297 L N 0.227 121.506 121.223 0.094 0.000 2.179 297 L HA -0.047 4.293 4.340 0.000 0.000 0.208 297 L C 2.448 179.458 176.870 0.234 0.000 1.096 297 L CA 0.579 55.572 54.840 0.255 0.000 0.779 297 L CB -0.219 41.959 42.059 0.199 0.000 0.922 297 L HN 0.123 nan 8.230 nan 0.000 0.443 298 A N -0.471 122.367 122.820 0.031 0.000 2.014 298 A HA 0.137 4.457 4.320 0.000 0.000 0.218 298 A C 1.783 179.381 177.584 0.023 0.000 1.163 298 A CA 1.130 53.165 52.037 -0.004 0.000 0.652 298 A CB -0.408 18.521 19.000 -0.118 0.000 0.808 298 A HN 0.510 nan 8.150 nan 0.000 0.449 299 G N -1.981 106.825 108.800 0.011 0.000 2.134 299 G HA2 -0.151 3.809 3.960 0.000 0.000 0.209 299 G HA3 -0.151 3.809 3.960 0.000 0.000 0.209 299 G C -0.044 174.811 174.900 -0.075 0.000 0.993 299 G CA 0.199 45.292 45.100 -0.012 0.000 0.669 299 G HN 0.432 nan 8.290 nan 0.000 0.519 300 L N 0.898 122.057 121.223 -0.107 0.000 2.332 300 L HA 0.814 5.154 4.340 0.000 0.000 0.269 300 L C 0.878 177.687 176.870 -0.101 0.000 1.016 300 L CA -0.549 54.191 54.840 -0.167 0.000 0.809 300 L CB 1.977 43.886 42.059 -0.250 0.000 1.280 300 L HN 0.356 nan 8.230 nan 0.000 0.447 301 S N -0.822 114.820 115.700 -0.096 0.000 2.621 301 S HA 0.504 4.974 4.470 0.000 0.000 0.302 301 S C -2.290 172.285 174.600 -0.042 0.000 1.093 301 S CA -1.442 56.727 58.200 -0.052 0.000 1.017 301 S CB 1.804 64.984 63.200 -0.033 0.000 1.077 301 S HN 0.343 nan 8.310 nan 0.000 0.517 302 P HA 0.015 nan 4.420 nan 0.000 0.221 302 P C 1.145 178.451 177.300 0.010 0.000 1.145 302 P CA 1.380 64.476 63.100 -0.007 0.000 0.795 302 P CB -0.172 31.527 31.700 -0.002 0.000 0.775 303 A N -0.602 122.224 122.820 0.011 0.000 2.167 303 A HA -0.092 4.228 4.320 0.000 0.000 0.214 303 A C 1.595 179.211 177.584 0.053 0.000 1.151 303 A CA 1.121 53.176 52.037 0.030 0.000 0.735 303 A CB -0.772 18.242 19.000 0.024 0.000 0.802 303 A HN 0.059 nan 8.150 nan 0.000 0.467 304 D N -0.066 120.357 120.400 0.039 0.000 2.289 304 D HA 0.031 4.671 4.640 0.000 0.000 0.207 304 D C 0.343 176.756 176.300 0.188 0.000 0.966 304 D CA 0.328 54.382 54.000 0.090 0.000 0.868 304 D CB 0.000 40.739 40.800 -0.102 0.000 0.943 304 D HN 0.239 nan 8.370 nan 0.000 0.514 305 I N 2.411 123.052 120.570 0.118 0.000 2.421 305 I HA -0.008 4.162 4.170 0.000 0.000 0.291 305 I C 1.000 177.211 176.117 0.157 0.000 1.089 305 I CA 0.050 61.435 61.300 0.142 0.000 1.354 305 I CB 0.570 38.612 38.000 0.069 0.000 1.413 305 I HN -0.172 nan 8.210 nan 0.000 0.513 306 D N 3.525 124.057 120.400 0.220 0.000 2.301 306 D HA -0.034 4.606 4.640 0.000 0.000 0.206 306 D C 0.543 176.992 176.300 0.247 0.000 0.979 306 D CA 1.070 55.221 54.000 0.252 0.000 0.874 306 D CB 0.415 41.423 40.800 0.347 0.000 0.968 306 D HN 0.578 nan 8.370 nan 0.000 0.510 307 H N -0.236 118.870 119.070 0.060 0.000 2.771 307 H HA 0.462 5.018 4.556 0.000 0.000 0.361 307 H C -1.650 173.674 175.328 -0.007 0.000 1.108 307 H CA -0.702 55.311 56.048 -0.058 0.000 1.201 307 H CB 1.517 31.137 29.762 -0.238 0.000 1.681 307 H HN -0.370 nan 8.280 nan 0.000 0.534 308 V N 5.745 125.410 119.914 -0.414 0.000 2.349 308 V HA 0.195 4.315 4.120 0.000 0.000 0.284 308 V C 0.099 175.899 176.094 -0.490 0.000 1.014 308 V CA -1.063 60.984 62.300 -0.420 0.000 0.826 308 V CB 1.021 32.762 31.823 -0.136 0.000 1.009 308 V HN 0.822 nan 8.190 nan 0.000 0.431 309 N N 4.000 122.331 118.700 -0.614 0.000 2.406 309 N HA 0.282 5.022 4.740 0.000 0.000 0.265 309 N C 0.048 175.488 175.510 -0.117 0.000 1.203 309 N CA 0.070 53.006 53.050 -0.189 0.000 0.945 309 N CB 1.547 39.986 38.487 -0.081 0.000 1.165 309 N HN 0.809 nan 8.380 nan 0.000 0.485 310 A N 3.204 125.998 122.820 -0.042 0.000 2.316 310 A HA 0.158 4.478 4.320 0.000 0.000 0.284 310 A C 1.170 178.724 177.584 -0.050 0.000 1.115 310 A CA -0.401 51.658 52.037 0.036 0.000 0.812 310 A CB 0.426 19.589 19.000 0.271 0.000 1.064 310 A HN 0.911 nan 8.150 nan 0.000 0.489 311 H N 2.397 121.377 119.070 -0.150 0.000 2.289 311 H HA -0.021 4.535 4.556 0.000 0.000 0.296 311 H C 1.580 176.783 175.328 -0.209 0.000 1.091 311 H CA 2.085 57.997 56.048 -0.227 0.000 1.274 311 H CB -0.412 29.202 29.762 -0.248 0.000 1.364 311 H HN 1.209 nan 8.280 nan 0.000 0.490 312 G N 0.284 109.015 108.800 -0.114 0.000 2.101 312 G HA2 -0.304 3.656 3.960 0.000 0.000 0.247 312 G HA3 -0.304 3.656 3.960 0.000 0.000 0.247 312 G C 0.980 175.613 174.900 -0.445 0.000 0.740 312 G CA 0.925 45.771 45.100 -0.423 0.000 1.130 312 G HN 0.785 nan 8.290 nan 0.000 0.342 313 T N -1.474 112.882 114.554 -0.331 0.000 3.088 313 T HA 0.447 4.797 4.350 0.000 0.000 0.259 313 T C 1.849 176.484 174.700 -0.107 0.000 1.122 313 T CA 1.355 63.294 62.100 -0.268 0.000 1.095 313 T CB 0.138 68.923 68.868 -0.137 0.000 0.930 313 T HN 2.356 nan 8.240 nan 0.000 0.508 314 A N 0.839 123.562 122.820 -0.162 0.000 3.168 314 A HA -0.117 4.204 4.320 0.000 0.000 0.249 314 A C 0.789 178.370 177.584 -0.005 0.000 1.280 314 A CA 0.828 52.804 52.037 -0.101 0.000 1.128 314 A CB -2.889 16.070 19.000 -0.069 0.000 1.160 314 A HN 1.274 nan 8.150 nan 0.000 0.900 315 T N -2.874 111.708 114.554 0.047 0.000 2.897 315 T HA 0.569 4.919 4.350 0.000 0.000 0.294 315 T C -1.073 173.664 174.700 0.061 0.000 1.004 315 T CA -1.113 61.042 62.100 0.093 0.000 1.106 315 T CB 1.355 70.327 68.868 0.173 0.000 0.949 315 T HN 0.030 nan 8.240 nan 0.000 0.520 316 P HA -0.077 nan 4.420 nan 0.000 0.214 316 P C 1.532 178.872 177.300 0.067 0.000 1.163 316 P CA 0.431 63.565 63.100 0.056 0.000 0.883 316 P CB -0.037 31.691 31.700 0.046 0.000 0.788 317 I N -0.774 119.838 120.570 0.069 0.000 2.546 317 I HA 0.017 4.187 4.170 0.000 0.000 0.255 317 I C 1.895 178.062 176.117 0.083 0.000 1.163 317 I CA 1.418 62.757 61.300 0.065 0.000 1.457 317 I CB -1.113 36.919 38.000 0.054 0.000 1.092 317 I HN -0.150 nan 8.210 nan 0.000 0.434 318 G N -0.266 108.601 108.800 0.112 0.000 2.396 318 G HA2 -0.170 3.790 3.960 0.000 0.000 0.214 318 G HA3 -0.170 3.790 3.960 0.000 0.000 0.214 318 G C 1.300 176.288 174.900 0.146 0.000 1.166 318 G CA 0.719 45.905 45.100 0.144 0.000 0.793 318 G HN 0.354 nan 8.290 nan 0.000 0.533 319 D N 1.224 121.685 120.400 0.101 0.000 2.117 319 D HA -0.007 4.633 4.640 0.000 0.000 0.198 319 D C 2.802 179.281 176.300 0.299 0.000 0.982 319 D CA 1.185 55.279 54.000 0.157 0.000 0.828 319 D CB -0.482 40.302 40.800 -0.026 0.000 0.967 319 D HN 0.275 nan 8.370 nan 0.000 0.464 320 A N 1.062 123.990 122.820 0.180 0.000 1.883 320 A HA -0.111 4.209 4.320 0.000 0.000 0.217 320 A C 2.309 179.946 177.584 0.089 0.000 1.186 320 A CA 2.498 54.614 52.037 0.132 0.000 0.624 320 A CB -0.849 18.198 19.000 0.079 0.000 0.822 320 A HN 0.248 nan 8.150 nan 0.000 0.444 321 A N -0.588 122.266 122.820 0.057 0.000 1.898 321 A HA -0.151 4.169 4.320 0.000 0.000 0.216 321 A C 2.044 179.623 177.584 -0.008 0.000 1.181 321 A CA 1.798 53.825 52.037 -0.018 0.000 0.620 321 A CB -0.507 18.450 19.000 -0.072 0.000 0.819 321 A HN 0.691 nan 8.150 nan 0.000 0.442 322 E N -0.064 120.193 120.200 0.095 0.000 2.106 322 E HA -0.072 4.278 4.350 0.000 0.000 0.192 322 E C 2.111 178.812 176.600 0.169 0.000 0.984 322 E CA 0.943 57.459 56.400 0.193 0.000 0.806 322 E CB -0.285 29.678 29.700 0.438 0.000 0.750 322 E HN 0.506 nan 8.360 nan 0.000 0.458 323 A N 1.462 124.386 122.820 0.173 0.000 1.903 323 A HA -0.288 4.032 4.320 0.000 0.000 0.219 323 A C 1.996 179.591 177.584 0.019 0.000 1.191 323 A CA 2.027 54.094 52.037 0.049 0.000 0.638 323 A CB -0.842 18.188 19.000 0.050 0.000 0.823 323 A HN 0.296 nan 8.150 nan 0.000 0.451 324 N N 0.142 118.853 118.700 0.019 0.000 2.120 324 N HA -0.084 4.656 4.740 0.000 0.000 0.188 324 N C 1.894 177.398 175.510 -0.011 0.000 1.024 324 N CA 1.618 54.663 53.050 -0.009 0.000 0.852 324 N CB -0.686 37.782 38.487 -0.031 0.000 1.003 324 N HN 0.472 nan 8.380 nan 0.000 0.424 325 A N 0.891 123.706 122.820 -0.008 0.000 1.948 325 A HA -0.118 4.202 4.320 0.000 0.000 0.220 325 A C 2.306 179.910 177.584 0.034 0.000 1.177 325 A CA 1.113 53.151 52.037 0.001 0.000 0.636 325 A CB -0.677 18.326 19.000 0.006 0.000 0.815 325 A HN 0.270 nan 8.150 nan 0.000 0.449 326 I N -1.652 118.943 120.570 0.042 0.000 2.406 326 I HA -0.166 4.004 4.170 0.000 0.000 0.249 326 I C 2.785 178.905 176.117 0.006 0.000 1.122 326 I CA 0.828 62.145 61.300 0.029 0.000 1.431 326 I CB -0.238 37.770 38.000 0.014 0.000 1.087 326 I HN 0.278 nan 8.210 nan 0.000 0.424 327 R N 0.153 120.651 120.500 -0.003 0.000 2.066 327 R HA -0.123 4.217 4.340 0.000 0.000 0.232 327 R C 2.358 178.655 176.300 -0.005 0.000 1.131 327 R CA 1.243 57.339 56.100 -0.007 0.000 0.955 327 R CB -0.462 29.831 30.300 -0.011 0.000 0.851 327 R HN 0.157 nan 8.270 nan 0.000 0.432 328 V N 0.946 120.856 119.914 -0.007 0.000 2.317 328 V HA -0.289 3.831 4.120 0.000 0.000 0.251 328 V C 2.043 178.135 176.094 -0.003 0.000 1.065 328 V CA 2.142 64.437 62.300 -0.009 0.000 1.049 328 V CB -0.486 31.327 31.823 -0.016 0.000 0.651 328 V HN 0.464 nan 8.190 nan 0.000 0.450 329 A N -1.300 121.522 122.820 0.003 0.000 2.251 329 A HA 0.436 4.756 4.320 0.000 0.000 0.209 329 A C 1.845 179.431 177.584 0.003 0.000 1.187 329 A CA 0.924 52.964 52.037 0.005 0.000 0.823 329 A CB -0.339 18.669 19.000 0.014 0.000 0.846 329 A HN 1.268 nan 8.150 nan 0.000 0.486 330 G N -2.240 106.561 108.800 0.002 0.000 2.148 330 G HA2 -0.296 3.664 3.960 0.000 0.000 0.254 330 G HA3 -0.296 3.664 3.960 0.000 0.000 0.254 330 G C 0.519 175.423 174.900 0.006 0.000 0.981 330 G CA 0.360 45.462 45.100 0.002 0.000 0.670 330 G HN 0.662 nan 8.290 nan 0.000 0.528 331 C N 1.385 120.689 119.300 0.005 0.000 2.589 331 C HA 0.327 4.787 4.460 0.000 0.000 0.307 331 C C 1.795 176.786 174.990 0.001 0.000 1.328 331 C CA 0.081 59.103 59.018 0.008 0.000 1.742 331 C CB -0.553 27.190 27.740 0.006 0.000 2.037 331 C HN 0.670 nan 8.230 nan 0.000 0.592 332 D N -0.136 120.262 120.400 -0.003 0.000 2.349 332 D HA -0.076 4.564 4.640 0.000 0.000 0.224 332 D C 1.606 177.902 176.300 -0.007 0.000 1.029 332 D CA 0.725 54.716 54.000 -0.016 0.000 0.879 332 D CB -0.157 40.630 40.800 -0.021 0.000 0.906 332 D HN 0.319 nan 8.370 nan 0.000 0.528 333 Q N 0.183 119.989 119.800 0.011 0.000 2.356 333 Q HA 0.316 4.656 4.340 0.000 0.000 0.205 333 Q C 0.714 176.739 176.000 0.041 0.000 0.901 333 Q CA 0.065 55.882 55.803 0.024 0.000 0.938 333 Q CB 0.513 29.269 28.738 0.030 0.000 1.081 333 Q HN 0.406 nan 8.270 nan 0.000 0.517 334 A N 1.051 123.895 122.820 0.039 0.000 2.406 334 A HA 0.515 4.835 4.320 0.000 0.000 0.243 334 A C 0.010 177.630 177.584 0.060 0.000 1.082 334 A CA 0.174 52.249 52.037 0.064 0.000 0.786 334 A CB 0.244 19.272 19.000 0.047 0.000 1.029 334 A HN 0.231 nan 8.150 nan 0.000 0.495 335 A N 1.057 123.938 122.820 0.101 0.000 2.354 335 A HA 0.531 4.851 4.320 0.000 0.000 0.281 335 A C -0.104 177.552 177.584 0.121 0.000 1.174 335 A CA -0.299 51.791 52.037 0.088 0.000 0.828 335 A CB -0.088 18.965 19.000 0.088 0.000 1.099 335 A HN 0.898 nan 8.150 nan 0.000 0.516 336 V N 3.395 123.341 119.914 0.053 0.000 2.481 336 V HA 0.362 4.482 4.120 0.000 0.000 0.286 336 V C -0.652 175.543 176.094 0.169 0.000 1.042 336 V CA -0.277 62.059 62.300 0.060 0.000 0.928 336 V CB 1.228 32.998 31.823 -0.088 0.000 0.986 336 V HN 0.774 nan 8.190 nan 0.000 0.462 337 Y N 3.563 123.912 120.300 0.081 0.000 2.406 337 Y HA 0.727 5.277 4.550 0.000 0.000 0.340 337 Y C -0.193 175.756 175.900 0.081 0.000 0.975 337 Y CA -1.721 56.428 58.100 0.081 0.000 1.056 337 Y CB 1.844 40.398 38.460 0.158 0.000 1.210 337 Y HN 0.629 nan 8.280 nan 0.000 0.448 338 A N 8.910 131.609 122.820 -0.201 0.000 2.508 338 A HA 0.484 4.804 4.320 0.000 0.000 0.336 338 A C -2.294 174.900 177.584 -0.651 0.000 1.360 338 A CA -1.574 50.244 52.037 -0.365 0.000 0.841 338 A CB 0.420 19.321 19.000 -0.164 0.000 1.136 338 A HN 0.597 nan 8.150 nan 0.000 0.489 339 P HA -0.145 nan 4.420 nan 0.000 0.225 339 P C 0.931 178.053 177.300 -0.298 0.000 1.148 339 P CA 1.051 63.735 63.100 -0.692 0.000 0.779 339 P CB 0.256 31.648 31.700 -0.513 0.000 0.780 340 K N 0.371 120.589 120.400 -0.304 0.000 2.365 340 K HA -0.032 4.288 4.320 0.000 0.000 0.199 340 K C 2.172 178.691 176.600 -0.135 0.000 1.045 340 K CA 1.348 57.502 56.287 -0.221 0.000 0.962 340 K CB -0.309 32.003 32.500 -0.313 0.000 0.759 340 K HN 0.232 nan 8.250 nan 0.000 0.469 341 S N 0.176 115.798 115.700 -0.131 0.000 2.469 341 S HA -0.091 4.379 4.470 0.000 0.000 0.238 341 S C 1.793 176.383 174.600 -0.017 0.000 0.998 341 S CA 0.987 59.153 58.200 -0.056 0.000 0.957 341 S CB 0.072 63.259 63.200 -0.022 0.000 0.764 341 S HN 0.311 nan 8.310 nan 0.000 0.514 342 A N 0.314 123.124 122.820 -0.016 0.000 1.977 342 A HA 0.576 4.896 4.320 0.000 0.000 0.197 342 A C 1.775 179.369 177.584 0.017 0.000 1.554 342 A CA -0.109 51.938 52.037 0.018 0.000 1.037 342 A CB -0.025 19.007 19.000 0.053 0.000 1.083 342 A HN 0.391 nan 8.150 nan 0.000 0.471 343 L N -0.530 120.693 121.223 -0.000 0.000 2.513 343 L HA 0.377 4.717 4.340 0.000 0.000 0.222 343 L C 1.383 178.260 176.870 0.011 0.000 1.096 343 L CA 0.575 55.423 54.840 0.014 0.000 0.857 343 L CB -0.007 42.058 42.059 0.010 0.000 1.026 343 L HN 0.627 nan 8.230 nan 0.000 0.469 344 G N -0.058 108.737 108.800 -0.008 0.000 2.693 344 G HA2 -0.285 3.675 3.960 0.000 0.000 0.226 344 G HA3 -0.285 3.675 3.960 0.000 0.000 0.226 344 G C -0.783 174.146 174.900 0.048 0.000 1.354 344 G CA -0.544 44.578 45.100 0.037 0.000 0.873 344 G HN 0.242 nan 8.290 nan 0.000 0.562 345 H N 0.776 119.875 119.070 0.049 0.000 2.541 345 H HA 0.632 5.188 4.556 -0.000 0.000 0.316 345 H C 1.251 176.595 175.328 0.027 0.000 1.043 345 H CA -0.076 55.957 56.048 -0.025 0.000 1.232 345 H CB 1.086 30.794 29.762 -0.090 0.000 1.406 345 H HN 0.743 nan 8.280 nan 0.000 0.469 346 S N 5.450 121.293 115.700 0.239 0.000 2.582 346 S HA 0.135 4.605 4.470 0.000 0.000 0.234 346 S C 1.353 175.969 174.600 0.027 0.000 0.961 346 S CA -0.339 57.910 58.200 0.081 0.000 0.953 346 S CB -0.079 63.150 63.200 0.048 0.000 0.800 346 S HN 0.570 nan 8.310 nan 0.000 0.471 347 I N 1.538 122.111 120.570 0.004 0.000 4.901 347 I HA -0.363 3.807 4.170 0.000 0.000 0.038 347 I C 2.126 178.240 176.117 -0.004 0.000 0.635 347 I CA 1.995 63.197 61.300 -0.163 0.000 0.244 347 I CB -2.271 35.602 38.000 -0.212 0.000 0.339 347 I HN 0.447 nan 8.210 nan 0.000 0.150 348 G N 0.063 108.855 108.800 -0.013 0.000 2.598 348 G HA2 0.219 4.179 3.960 0.000 0.000 0.215 348 G HA3 0.219 4.179 3.960 0.000 0.000 0.215 348 G C 1.335 176.246 174.900 0.019 0.000 1.131 348 G CA 1.367 46.472 45.100 0.008 0.000 0.785 348 G HN 0.993 nan 8.290 nan 0.000 0.539 349 A N -0.526 122.308 122.820 0.023 0.000 2.197 349 A HA 0.441 4.761 4.320 0.000 0.000 0.210 349 A C 2.171 179.767 177.584 0.021 0.000 1.180 349 A CA 0.678 52.730 52.037 0.025 0.000 0.846 349 A CB -0.013 19.004 19.000 0.029 0.000 0.884 349 A HN 0.196 nan 8.150 nan 0.000 0.487 350 V N 0.196 120.127 119.914 0.028 0.000 2.515 350 V HA -0.126 3.994 4.120 0.000 0.000 0.250 350 V C 2.388 178.464 176.094 -0.031 0.000 1.058 350 V CA 2.341 64.639 62.300 -0.004 0.000 1.064 350 V CB -0.549 31.264 31.823 -0.017 0.000 0.675 350 V HN 0.527 nan 8.190 nan 0.000 0.461 351 G N -1.099 107.697 108.800 -0.006 0.000 2.422 351 G HA2 -0.138 3.822 3.960 0.000 0.000 0.218 351 G HA3 -0.138 3.822 3.960 0.000 0.000 0.218 351 G C 1.689 176.584 174.900 -0.007 0.000 1.140 351 G CA 0.899 45.991 45.100 -0.014 0.000 0.775 351 G HN 0.671 nan 8.290 nan 0.000 0.545 352 A N 0.466 123.288 122.820 0.004 0.000 1.897 352 A HA 0.187 4.507 4.320 0.000 0.000 0.215 352 A C 2.299 179.877 177.584 -0.010 0.000 1.181 352 A CA 1.438 53.482 52.037 0.012 0.000 0.620 352 A CB -0.389 18.624 19.000 0.022 0.000 0.821 352 A HN 0.446 nan 8.150 nan 0.000 0.443 353 L N 0.226 121.440 121.223 -0.014 0.000 2.012 353 L HA -0.158 4.182 4.340 0.000 0.000 0.210 353 L C 2.000 178.843 176.870 -0.045 0.000 1.073 353 L CA 2.574 57.401 54.840 -0.021 0.000 0.748 353 L CB -0.573 41.480 42.059 -0.010 0.000 0.891 353 L HN 0.498 nan 8.230 nan 0.000 0.431 354 E N -1.006 119.158 120.200 -0.059 0.000 2.274 354 E HA -0.103 4.247 4.350 0.000 0.000 0.194 354 E C 2.049 178.584 176.600 -0.108 0.000 0.996 354 E CA 0.939 57.292 56.400 -0.078 0.000 0.840 354 E CB 0.030 29.665 29.700 -0.108 0.000 0.772 354 E HN 0.535 nan 8.360 nan 0.000 0.491 355 S N 0.239 115.874 115.700 -0.109 0.000 2.387 355 S HA -0.096 4.374 4.470 0.000 0.000 0.226 355 S C 2.167 176.544 174.600 -0.371 0.000 1.026 355 S CA 0.572 58.639 58.200 -0.222 0.000 0.972 355 S CB -0.019 63.190 63.200 0.014 0.000 0.814 355 S HN 0.060 nan 8.310 nan 0.000 0.477 356 V N 2.607 122.395 119.914 -0.210 0.000 2.343 356 V HA -0.161 3.959 4.120 0.000 0.000 0.247 356 V C 2.172 178.085 176.094 -0.302 0.000 1.051 356 V CA 1.528 63.693 62.300 -0.225 0.000 1.036 356 V CB -0.806 30.940 31.823 -0.129 0.000 0.654 356 V HN 0.438 nan 8.190 nan 0.000 0.451 357 L N -0.600 120.494 121.223 -0.215 0.000 2.083 357 L HA -0.162 4.178 4.340 0.000 0.000 0.209 357 L C 2.607 179.322 176.870 -0.259 0.000 1.083 357 L CA 1.794 56.512 54.840 -0.204 0.000 0.752 357 L CB -1.201 40.918 42.059 0.100 0.000 0.899 357 L HN 0.335 nan 8.230 nan 0.000 0.433 358 T N -0.017 114.397 114.554 -0.233 0.000 2.622 358 T HA -0.186 4.164 4.350 0.000 0.000 0.266 358 T C 2.070 176.553 174.700 -0.362 0.000 1.047 358 T CA 1.652 63.608 62.100 -0.239 0.000 1.159 358 T CB -0.322 68.288 68.868 -0.430 0.000 0.863 358 T HN 0.045 nan 8.240 nan 0.000 0.422 359 V N 1.925 121.505 119.914 -0.556 0.000 2.250 359 V HA -0.222 3.898 4.120 0.000 0.000 0.250 359 V C 2.543 178.428 176.094 -0.349 0.000 1.060 359 V CA 1.812 63.862 62.300 -0.415 0.000 1.030 359 V CB -0.844 30.755 31.823 -0.372 0.000 0.643 359 V HN 0.472 nan 8.190 nan 0.000 0.445 360 L N -0.708 120.195 121.223 -0.532 0.000 2.127 360 L HA -0.196 4.144 4.340 0.000 0.000 0.211 360 L C 2.589 179.115 176.870 -0.574 0.000 1.089 360 L CA 1.956 56.321 54.840 -0.792 0.000 0.757 360 L CB -1.112 39.969 42.059 -1.631 0.000 0.899 360 L HN 0.365 nan 8.230 nan 0.000 0.434 361 T N 0.320 114.636 114.554 -0.396 0.000 2.746 361 T HA -0.117 4.233 4.350 0.000 0.000 0.267 361 T C 1.978 176.683 174.700 0.008 0.000 1.039 361 T CA 1.240 63.292 62.100 -0.081 0.000 1.142 361 T CB -0.110 68.633 68.868 -0.207 0.000 0.866 361 T HN 0.175 nan 8.240 nan 0.000 0.444 362 L N 0.162 121.367 121.223 -0.029 0.000 2.095 362 L HA 0.080 4.420 4.340 0.000 0.000 0.204 362 L C 2.757 179.652 176.870 0.041 0.000 1.080 362 L CA 1.039 55.909 54.840 0.050 0.000 0.759 362 L CB -0.426 41.658 42.059 0.041 0.000 0.914 362 L HN 0.095 nan 8.230 nan 0.000 0.439 363 R N 0.339 120.830 120.500 -0.016 0.000 2.097 363 R HA -0.198 4.142 4.340 0.000 0.000 0.236 363 R C 1.326 177.657 176.300 0.052 0.000 1.135 363 R CA 2.208 58.309 56.100 0.001 0.000 0.934 363 R CB -0.135 30.127 30.300 -0.062 0.000 0.846 363 R HN 0.323 nan 8.270 nan 0.000 0.431 364 D N -1.560 118.891 120.400 0.084 0.000 2.350 364 D HA 0.105 4.745 4.640 0.000 0.000 0.213 364 D C 0.630 177.038 176.300 0.180 0.000 1.031 364 D CA 0.933 55.031 54.000 0.164 0.000 0.861 364 D CB 0.632 41.601 40.800 0.282 0.000 0.926 364 D HN 0.549 nan 8.370 nan 0.000 0.520 365 G N 1.285 110.188 108.800 0.172 0.000 2.273 365 G HA2 -0.201 3.759 3.960 0.000 0.000 0.280 365 G HA3 -0.201 3.759 3.960 0.000 0.000 0.280 365 G C -0.025 174.997 174.900 0.204 0.000 1.047 365 G CA 0.616 45.826 45.100 0.182 0.000 0.869 365 G HN 0.397 nan 8.290 nan 0.000 0.502 366 V N -0.205 119.825 119.914 0.193 0.000 2.971 366 V HA 0.804 4.924 4.120 0.000 0.000 0.309 366 V C -0.659 175.344 176.094 -0.151 0.000 1.130 366 V CA -1.242 60.992 62.300 -0.110 0.000 0.964 366 V CB 2.099 33.572 31.823 -0.583 0.000 1.029 366 V HN 0.366 nan 8.190 nan 0.000 0.427 367 I N 6.872 127.234 120.570 -0.347 0.000 2.418 367 I HA 0.461 4.631 4.170 0.000 0.000 0.287 367 I C -2.418 173.322 176.117 -0.629 0.000 1.008 367 I CA -2.081 58.889 61.300 -0.550 0.000 1.104 367 I CB 2.351 39.968 38.000 -0.638 0.000 1.264 367 I HN 0.487 nan 8.210 nan 0.000 0.438 368 P HA 0.083 nan 4.420 nan 0.000 0.270 368 P C -2.509 174.474 177.300 -0.528 0.000 1.227 368 P CA -0.901 61.774 63.100 -0.708 0.000 0.788 368 P CB -0.283 30.998 31.700 -0.698 0.000 0.926 369 P HA 0.051 nan 4.420 nan 0.000 0.275 369 P C -0.631 176.731 177.300 0.105 0.000 1.227 369 P CA 0.200 63.262 63.100 -0.062 0.000 0.781 369 P CB 0.165 31.850 31.700 -0.025 0.000 0.906 370 T N 4.245 118.896 114.554 0.162 0.000 2.738 370 T HA 0.239 4.589 4.350 0.000 0.000 0.294 370 T C 0.708 175.495 174.700 0.145 0.000 0.914 370 T CA -0.260 61.961 62.100 0.201 0.000 1.052 370 T CB -0.430 68.509 68.868 0.119 0.000 0.897 370 T HN 0.180 nan 8.240 nan 0.000 0.522 371 L N 4.005 125.301 121.223 0.121 0.000 2.499 371 L HA 0.078 4.418 4.340 0.000 0.000 0.281 371 L C 1.031 177.971 176.870 0.117 0.000 1.234 371 L CA -0.243 54.657 54.840 0.099 0.000 0.839 371 L CB 0.016 42.115 42.059 0.066 0.000 1.104 371 L HN 0.717 nan 8.230 nan 0.000 0.500 372 N N -0.419 118.348 118.700 0.112 0.000 2.965 372 N HA -0.280 4.460 4.740 0.000 0.000 0.232 372 N C -0.276 175.329 175.510 0.159 0.000 0.913 372 N CA 0.912 54.024 53.050 0.104 0.000 0.981 372 N CB -1.440 37.090 38.487 0.071 0.000 1.077 372 N HN 0.631 nan 8.380 nan 0.000 0.589 373 Y N 2.360 122.693 120.300 0.054 0.000 2.570 373 Y HA 0.226 4.776 4.550 -0.000 0.000 0.336 373 Y C 1.264 177.196 175.900 0.053 0.000 1.284 373 Y CA 0.243 58.384 58.100 0.070 0.000 1.761 373 Y CB -0.246 38.271 38.460 0.095 0.000 1.724 373 Y HN 0.099 nan 8.280 nan 0.000 0.455 374 E N 0.803 120.949 120.200 -0.091 0.000 2.399 374 E HA 0.124 4.474 4.350 0.000 0.000 0.205 374 E C -0.118 176.380 176.600 -0.170 0.000 0.906 374 E CA 0.422 56.757 56.400 -0.107 0.000 0.998 374 E CB 0.720 30.402 29.700 -0.029 0.000 1.002 374 E HN 0.302 nan 8.360 nan 0.000 0.501 375 T N 2.989 117.435 114.554 -0.179 0.000 3.226 375 T HA 0.273 4.623 4.350 0.000 0.000 0.378 375 T C -2.741 171.848 174.700 -0.186 0.000 1.380 375 T CA -1.422 60.584 62.100 -0.156 0.000 1.396 375 T CB 1.161 69.986 68.868 -0.072 0.000 1.044 375 T HN -0.153 nan 8.240 nan 0.000 0.586 376 P HA -0.030 nan 4.420 nan 0.000 0.264 376 P C 0.077 177.362 177.300 -0.025 0.000 1.173 376 P CA 0.001 62.952 63.100 -0.248 0.000 0.761 376 P CB 0.456 31.997 31.700 -0.265 0.000 0.794 377 D N 5.007 125.461 120.400 0.089 0.000 2.401 377 D HA -0.003 4.637 4.640 0.000 0.000 0.254 377 D C -1.055 175.285 176.300 0.066 0.000 1.192 377 D CA -1.757 52.295 54.000 0.087 0.000 0.885 377 D CB 0.534 41.420 40.800 0.142 0.000 1.147 377 D HN 0.213 nan 8.370 nan 0.000 0.478 378 P HA -0.141 nan 4.420 nan 0.000 0.218 378 P C 0.455 177.775 177.300 0.033 0.000 1.146 378 P CA 0.932 64.048 63.100 0.027 0.000 0.813 378 P CB 0.440 32.150 31.700 0.017 0.000 0.778 379 E N -1.154 119.072 120.200 0.043 0.000 2.445 379 E HA 0.092 4.442 4.350 0.000 0.000 0.189 379 E C 1.457 178.086 176.600 0.048 0.000 1.069 379 E CA 0.053 56.477 56.400 0.040 0.000 0.871 379 E CB 0.141 29.865 29.700 0.040 0.000 0.991 379 E HN 0.330 nan 8.360 nan 0.000 0.481 380 I N -0.178 120.426 120.570 0.057 0.000 3.744 380 I HA 0.013 4.183 4.170 0.000 0.000 0.240 380 I C 0.303 176.421 176.117 0.002 0.000 1.096 380 I CA 0.298 61.625 61.300 0.045 0.000 1.558 380 I CB -0.559 37.495 38.000 0.091 0.000 1.531 380 I HN -0.029 nan 8.210 nan 0.000 0.459 381 D N 1.781 122.190 120.400 0.015 0.000 3.187 381 D HA -0.153 4.487 4.640 0.000 0.000 0.244 381 D C -0.875 175.400 176.300 -0.042 0.000 1.114 381 D CA 0.402 54.405 54.000 0.005 0.000 0.920 381 D CB -0.983 39.822 40.800 0.007 0.000 0.970 381 D HN 0.130 nan 8.370 nan 0.000 0.418 382 L N 0.886 122.062 121.223 -0.080 0.000 2.323 382 L HA 0.441 4.781 4.340 0.000 0.000 0.265 382 L C 0.562 177.384 176.870 -0.079 0.000 1.012 382 L CA -1.153 53.602 54.840 -0.141 0.000 0.820 382 L CB 1.530 43.379 42.059 -0.351 0.000 1.334 382 L HN -0.024 nan 8.230 nan 0.000 0.427 383 D N 1.729 122.092 120.400 -0.060 0.000 2.545 383 D HA 0.155 4.795 4.640 0.000 0.000 0.227 383 D C -0.601 175.661 176.300 -0.064 0.000 1.150 383 D CA -0.054 53.934 54.000 -0.020 0.000 1.046 383 D CB 0.149 40.956 40.800 0.012 0.000 1.098 383 D HN 0.034 nan 8.370 nan 0.000 0.502 384 V N 3.503 123.334 119.914 -0.137 0.000 2.488 384 V HA 0.110 4.230 4.120 0.000 0.000 0.277 384 V C 0.643 176.637 176.094 -0.166 0.000 1.046 384 V CA -0.787 61.342 62.300 -0.285 0.000 0.986 384 V CB 1.534 32.872 31.823 -0.808 0.000 0.989 384 V HN 0.160 nan 8.190 nan 0.000 0.475 385 V N 5.310 125.179 119.914 -0.076 0.000 2.488 385 V HA 0.691 4.811 4.120 0.000 0.000 0.277 385 V C 0.532 176.625 176.094 -0.002 0.000 1.046 385 V CA 0.387 62.672 62.300 -0.024 0.000 0.986 385 V CB 0.731 32.521 31.823 -0.056 0.000 0.989 385 V HN 1.098 nan 8.190 nan 0.000 0.475 386 A N 3.524 126.376 122.820 0.054 0.000 2.593 386 A HA 0.902 5.222 4.320 0.000 0.000 0.290 386 A C 0.757 178.390 177.584 0.082 0.000 1.126 386 A CA 0.149 52.253 52.037 0.112 0.000 0.695 386 A CB 1.245 20.418 19.000 0.289 0.000 1.290 386 A HN 1.788 nan 8.150 nan 0.000 0.414 387 G N 0.032 108.878 108.800 0.077 0.000 5.426 387 G HA2 -0.189 3.771 3.960 0.000 0.000 0.297 387 G HA3 -0.189 3.771 3.960 0.000 0.000 0.297 387 G C 0.217 175.129 174.900 0.021 0.000 1.422 387 G CA 1.381 46.511 45.100 0.050 0.000 0.938 387 G HN 1.994 nan 8.290 nan 0.000 0.754 388 E N 0.928 121.134 120.200 0.009 0.000 2.416 388 E HA 0.677 5.027 4.350 0.000 0.000 0.273 388 E C -3.217 173.353 176.600 -0.050 0.000 0.935 388 E CA -2.378 54.015 56.400 -0.012 0.000 0.784 388 E CB 2.423 32.132 29.700 0.015 0.000 1.301 388 E HN 0.267 nan 8.360 nan 0.000 0.454 389 P HA -0.023 nan 4.420 nan 0.000 0.266 389 P C -0.978 176.220 177.300 -0.170 0.000 1.195 389 P CA 0.000 62.964 63.100 -0.226 0.000 0.768 389 P CB 0.419 31.927 31.700 -0.321 0.000 0.838 390 R N 3.473 123.847 120.500 -0.210 0.000 2.239 390 R HA 0.250 4.590 4.340 0.000 0.000 0.332 390 R C -0.703 175.547 176.300 -0.082 0.000 0.988 390 R CA -0.624 55.441 56.100 -0.059 0.000 0.859 390 R CB 0.028 30.343 30.300 0.025 0.000 1.148 390 R HN 0.432 nan 8.270 nan 0.000 0.482 391 Y N 2.164 122.483 120.300 0.031 0.000 2.496 391 Y HA 0.366 4.916 4.550 0.000 0.000 0.334 391 Y C 1.165 177.005 175.900 -0.100 0.000 1.080 391 Y CA 0.736 58.834 58.100 -0.004 0.000 1.355 391 Y CB 1.471 39.913 38.460 -0.030 0.000 1.193 391 Y HN 0.698 nan 8.280 nan 0.000 0.523 392 G N 1.694 110.330 108.800 -0.274 0.000 2.677 392 G HA2 0.244 4.204 3.960 0.000 0.000 0.291 392 G HA3 0.244 4.204 3.960 0.000 0.000 0.291 392 G C -1.849 172.444 174.900 -1.013 0.000 1.435 392 G CA -0.941 43.761 45.100 -0.663 0.000 0.826 392 G HN 0.380 nan 8.290 nan 0.000 0.491 393 D N 0.363 120.375 120.400 -0.645 0.000 2.517 393 D HA 0.287 4.927 4.640 0.000 0.000 0.220 393 D C -0.704 175.382 176.300 -0.356 0.000 1.158 393 D CA -0.247 53.510 54.000 -0.405 0.000 0.992 393 D CB -0.352 40.335 40.800 -0.188 0.000 1.058 393 D HN 0.177 nan 8.370 nan 0.000 0.516 394 Y N 1.826 122.119 120.300 -0.012 0.000 2.425 394 Y HA 0.339 4.889 4.550 -0.000 0.000 0.347 394 Y C 1.520 177.385 175.900 -0.059 0.000 0.976 394 Y CA -0.703 57.393 58.100 -0.007 0.000 1.190 394 Y CB 0.951 39.409 38.460 -0.003 0.000 1.136 394 Y HN 0.169 nan 8.280 nan 0.000 0.517 395 R N 1.314 121.817 120.500 0.006 0.000 2.195 395 R HA 0.197 4.537 4.340 0.000 0.000 0.197 395 R C -0.847 175.106 176.300 -0.578 0.000 0.990 395 R CA 0.406 56.309 56.100 -0.327 0.000 1.048 395 R CB 0.464 30.492 30.300 -0.453 0.000 0.997 395 R HN 0.476 nan 8.270 nan 0.000 0.502 396 Y N -0.455 119.934 120.300 0.148 0.000 2.470 396 Y HA 0.659 5.209 4.550 0.000 0.000 0.341 396 Y C -0.662 175.325 175.900 0.144 0.000 1.021 396 Y CA -1.478 56.700 58.100 0.129 0.000 1.025 396 Y CB 2.190 40.702 38.460 0.086 0.000 1.266 396 Y HN -0.061 nan 8.280 nan 0.000 0.448 397 A N 1.747 124.745 122.820 0.296 0.000 2.475 397 A HA 0.892 5.212 4.320 0.000 0.000 0.301 397 A C -1.824 175.841 177.584 0.135 0.000 1.059 397 A CA -0.794 51.356 52.037 0.188 0.000 0.710 397 A CB 1.397 20.533 19.000 0.226 0.000 1.288 397 A HN 0.469 nan 8.150 nan 0.000 0.408 398 V N 1.810 121.727 119.914 0.006 0.000 2.513 398 V HA 0.461 4.581 4.120 0.000 0.000 0.299 398 V C -0.411 175.654 176.094 -0.049 0.000 1.035 398 V CA -0.706 61.593 62.300 -0.001 0.000 0.889 398 V CB 1.825 33.631 31.823 -0.027 0.000 0.988 398 V HN 0.890 nan 8.190 nan 0.000 0.440 399 N N 3.859 122.571 118.700 0.020 0.000 2.476 399 N HA 0.340 5.080 4.740 0.000 0.000 0.257 399 N C -0.859 174.600 175.510 -0.085 0.000 0.970 399 N CA -0.383 52.657 53.050 -0.017 0.000 0.938 399 N CB 0.766 39.314 38.487 0.101 0.000 1.144 399 N HN 0.604 nan 8.380 nan 0.000 0.500 400 N N 1.477 120.081 118.700 -0.161 0.000 2.438 400 N HA 0.379 5.119 4.740 0.000 0.000 0.282 400 N C -1.143 174.091 175.510 -0.461 0.000 1.037 400 N CA -0.191 52.651 53.050 -0.347 0.000 0.942 400 N CB 1.434 39.704 38.487 -0.362 0.000 1.136 400 N HN 0.371 nan 8.380 nan 0.000 0.481 401 S N 1.405 116.726 115.700 -0.632 0.000 2.547 401 S HA 0.666 5.136 4.470 0.000 0.000 0.281 401 S C -1.261 172.834 174.600 -0.842 0.000 1.118 401 S CA -0.610 57.261 58.200 -0.548 0.000 0.947 401 S CB 0.822 63.920 63.200 -0.169 0.000 1.053 401 S HN 0.295 nan 8.310 nan 0.000 0.482 402 F N 0.908 120.468 119.950 -0.651 0.000 2.547 402 F HA 0.751 5.278 4.527 0.000 0.000 0.316 402 F C 0.633 176.247 175.800 -0.310 0.000 1.121 402 F CA -0.860 56.886 58.000 -0.423 0.000 0.911 402 F CB 1.852 40.609 39.000 -0.405 0.000 1.179 402 F HN 0.688 nan 8.300 nan 0.000 0.443 403 G N 1.231 110.126 108.800 0.157 0.000 2.537 403 G HA2 0.607 4.567 3.960 0.000 0.000 0.308 403 G HA3 0.607 4.567 3.960 0.000 0.000 0.308 403 G C -1.274 173.819 174.900 0.322 0.000 1.237 403 G CA -0.709 44.488 45.100 0.161 0.000 0.968 403 G HN 0.222 nan 8.290 nan 0.000 0.481 404 F N 0.407 120.469 119.950 0.186 0.000 2.629 404 F HA 0.378 4.905 4.527 0.000 0.000 0.377 404 F C 1.631 177.473 175.800 0.070 0.000 1.101 404 F CA 0.857 58.928 58.000 0.118 0.000 1.301 404 F CB 0.720 39.787 39.000 0.112 0.000 1.062 404 F HN 0.963 nan 8.300 nan 0.000 0.583 405 G N 0.564 109.416 108.800 0.087 0.000 2.231 405 G HA2 0.118 4.078 3.960 0.000 0.000 0.206 405 G HA3 0.118 4.078 3.960 0.000 0.000 0.206 405 G C 0.810 175.421 174.900 -0.483 0.000 0.996 405 G CA 0.072 45.042 45.100 -0.216 0.000 0.645 405 G HN 1.860 nan 8.290 nan 0.000 0.498 406 G N -0.170 108.449 108.800 -0.303 0.000 2.140 406 G HA2 -0.147 3.813 3.960 0.000 0.000 0.211 406 G HA3 -0.147 3.813 3.960 0.000 0.000 0.211 406 G C -0.051 174.746 174.900 -0.172 0.000 1.013 406 G CA 0.483 45.483 45.100 -0.166 0.000 0.705 406 G HN 1.343 nan 8.290 nan 0.000 0.508 407 H N 0.761 119.904 119.070 0.120 0.000 2.580 407 H HA 0.415 4.971 4.556 0.000 0.000 0.322 407 H C -0.016 175.411 175.328 0.165 0.000 1.082 407 H CA -0.247 55.869 56.048 0.113 0.000 1.383 407 H CB 0.788 30.608 29.762 0.097 0.000 1.450 407 H HN 0.282 nan 8.280 nan 0.000 0.505 408 N N 2.608 121.474 118.700 0.277 0.000 2.399 408 N HA 0.261 5.001 4.740 0.000 0.000 0.284 408 N C -0.853 174.771 175.510 0.192 0.000 1.025 408 N CA -0.468 52.796 53.050 0.356 0.000 0.885 408 N CB 3.013 41.687 38.487 0.311 0.000 1.339 408 N HN 0.201 nan 8.380 nan 0.000 0.487 409 V N 0.706 120.675 119.914 0.093 0.000 2.588 409 V HA 0.799 4.919 4.120 0.000 0.000 0.304 409 V C -0.350 175.698 176.094 -0.077 0.000 1.042 409 V CA -0.859 61.432 62.300 -0.015 0.000 0.877 409 V CB 1.596 33.390 31.823 -0.048 0.000 0.996 409 V HN 0.793 nan 8.190 nan 0.000 0.425 410 A N 5.619 128.396 122.820 -0.072 0.000 2.343 410 A HA 0.894 5.214 4.320 0.000 0.000 0.308 410 A C -1.097 176.403 177.584 -0.141 0.000 1.092 410 A CA -0.501 51.481 52.037 -0.091 0.000 0.751 410 A CB 1.086 20.058 19.000 -0.046 0.000 1.203 410 A HN 0.792 nan 8.150 nan 0.000 0.452 411 L N 2.207 123.357 121.223 -0.122 0.000 2.296 411 L HA 0.668 5.008 4.340 0.000 0.000 0.286 411 L C 0.431 177.176 176.870 -0.209 0.000 1.023 411 L CA -0.585 54.117 54.840 -0.230 0.000 0.812 411 L CB 1.925 43.914 42.059 -0.117 0.000 1.223 411 L HN 0.801 nan 8.230 nan 0.000 0.421 412 A N 4.241 126.824 122.820 -0.395 0.000 2.249 412 A HA 0.734 5.054 4.320 0.000 0.000 0.314 412 A C -0.975 176.393 177.584 -0.361 0.000 1.290 412 A CA -0.230 51.659 52.037 -0.247 0.000 0.893 412 A CB 0.082 18.949 19.000 -0.221 0.000 1.165 412 A HN 0.518 nan 8.150 nan 0.000 0.530 413 F N 1.319 121.260 119.950 -0.015 0.000 2.507 413 F HA 0.719 5.246 4.527 -0.000 0.000 0.327 413 F C 0.934 176.816 175.800 0.136 0.000 1.068 413 F CA -0.103 57.916 58.000 0.032 0.000 0.965 413 F CB 2.622 41.631 39.000 0.015 0.000 1.192 413 F HN 0.689 nan 8.300 nan 0.000 0.476 414 G N 0.978 109.977 108.800 0.332 0.000 2.619 414 G HA2 0.492 4.452 3.960 0.000 0.000 0.296 414 G HA3 0.492 4.452 3.960 0.000 0.000 0.296 414 G C -1.738 173.244 174.900 0.136 0.000 1.334 414 G CA -1.026 44.225 45.100 0.252 0.000 0.934 414 G HN 0.553 nan 8.290 nan 0.000 0.476 415 R N 0.017 120.502 120.500 -0.025 0.000 2.438 415 R HA 0.251 4.591 4.340 0.000 0.000 0.287 415 R C -0.592 175.747 176.300 0.065 0.000 1.077 415 R CA -0.403 55.702 56.100 0.009 0.000 1.034 415 R CB 0.549 30.801 30.300 -0.081 0.000 0.993 415 R HN 0.612 nan 8.270 nan 0.000 0.459 416 Y N 0.000 120.304 120.300 0.006 0.000 2.660 416 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 416 Y CA 0.000 58.110 58.100 0.017 0.000 1.940 416 Y CB 0.000 38.474 38.460 0.022 0.000 1.050 416 Y HN 0.000 nan 8.280 nan 0.000 0.758