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 2wge_1_A 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 AGVMTPVSAC 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 0.000 174.574 174.600 -0.044 0.000 1.055 2 S CA 0.000 58.181 58.200 -0.031 0.000 1.107 2 S CB 0.000 63.180 63.200 -0.033 0.000 0.593 3 Q N 1.353 121.128 119.800 -0.043 0.000 2.299 3 Q HA 0.486 4.827 4.340 0.000 0.000 0.246 3 Q C -2.391 173.534 176.000 -0.125 0.000 0.935 3 Q CA -1.819 53.949 55.803 -0.058 0.000 0.887 3 Q CB 0.302 29.029 28.738 -0.018 0.000 1.223 3 Q HN 0.560 nan 8.270 nan 0.000 0.439 4 P HA 0.010 nan 4.420 nan 0.000 0.266 4 P C -0.647 176.318 177.300 -0.559 0.000 1.195 4 P CA 0.150 62.954 63.100 -0.493 0.000 0.768 4 P CB 0.713 31.937 31.700 -0.794 0.000 0.838 5 S N 0.138 115.580 115.700 -0.430 0.000 2.651 5 S HA 0.384 4.855 4.470 0.000 0.000 0.279 5 S C 0.983 175.622 174.600 0.066 0.000 1.148 5 S CA -0.472 57.680 58.200 -0.080 0.000 0.837 5 S CB 1.017 64.230 63.200 0.021 0.000 1.138 5 S HN 0.295 nan 8.310 nan 0.000 0.478 6 T N 1.566 116.330 114.554 0.350 0.000 2.777 6 T HA 0.008 4.358 4.350 0.000 0.000 0.266 6 T C 2.160 176.953 174.700 0.155 0.000 1.040 6 T CA 1.761 64.051 62.100 0.316 0.000 1.141 6 T CB -0.896 68.177 68.868 0.341 0.000 0.868 6 T HN 0.887 nan 8.240 nan 0.000 0.444 7 A N 2.921 125.804 122.820 0.104 0.000 1.933 7 A HA -0.145 4.175 4.320 0.000 0.000 0.218 7 A C 1.976 179.583 177.584 0.038 0.000 1.175 7 A CA 1.876 53.951 52.037 0.064 0.000 0.628 7 A CB -0.598 18.419 19.000 0.029 0.000 0.814 7 A HN 0.653 nan 8.150 nan 0.000 0.444 8 N N -1.387 117.320 118.700 0.011 0.000 2.322 8 N HA 0.264 5.004 4.740 0.000 0.000 0.194 8 N C 0.957 176.453 175.510 -0.023 0.000 1.126 8 N CA 1.102 54.143 53.050 -0.015 0.000 0.845 8 N CB -0.229 38.234 38.487 -0.039 0.000 0.976 8 N HN 0.753 nan 8.380 nan 0.000 0.475 9 G N -1.313 107.486 108.800 -0.001 0.000 2.184 9 G HA2 -0.275 3.685 3.960 0.000 0.000 0.264 9 G HA3 -0.275 3.685 3.960 0.000 0.000 0.264 9 G C 1.032 175.904 174.900 -0.047 0.000 0.975 9 G CA 0.342 45.444 45.100 0.004 0.000 0.642 9 G HN 0.682 nan 8.290 nan 0.000 0.536 10 G N -0.558 108.152 108.800 -0.150 0.000 2.448 10 G HA2 0.267 4.227 3.960 0.000 0.000 0.219 10 G HA3 0.267 4.227 3.960 0.000 0.000 0.219 10 G C 0.503 175.189 174.900 -0.356 0.000 1.127 10 G CA 0.986 45.903 45.100 -0.305 0.000 0.766 10 G HN 0.474 nan 8.290 nan 0.000 0.552 11 F N 1.132 121.098 119.950 0.026 0.000 2.492 11 F HA 0.474 5.001 4.527 0.001 0.000 0.327 11 F C -1.848 173.959 175.800 0.013 0.000 1.079 11 F CA -3.408 54.588 58.000 -0.006 0.000 0.967 11 F CB 1.542 40.554 39.000 0.019 0.000 1.169 11 F HN -0.193 nan 8.300 nan 0.000 0.472 12 P HA 0.028 nan 4.420 nan 0.000 0.272 12 P C -0.395 176.996 177.300 0.151 0.000 1.223 12 P CA -0.245 62.926 63.100 0.118 0.000 0.784 12 P CB 1.027 32.762 31.700 0.058 0.000 0.923 13 S N 0.912 116.697 115.700 0.142 0.000 2.531 13 S HA 0.240 4.711 4.470 0.000 0.000 0.279 13 S C -0.276 174.414 174.600 0.149 0.000 1.305 13 S CA -0.470 57.831 58.200 0.167 0.000 1.058 13 S CB -0.413 62.882 63.200 0.157 0.000 0.899 13 S HN 0.223 nan 8.310 nan 0.000 0.493 14 V N 6.353 126.378 119.914 0.186 0.000 2.487 14 V HA 0.595 4.715 4.120 0.000 0.000 0.298 14 V C -0.077 176.108 176.094 0.153 0.000 1.028 14 V CA -0.680 61.718 62.300 0.163 0.000 0.860 14 V CB 1.561 33.527 31.823 0.237 0.000 0.991 14 V HN 0.861 nan 8.190 nan 0.000 0.427 15 V N 2.858 122.831 119.914 0.098 0.000 2.864 15 V HA 0.767 4.887 4.120 0.000 0.000 0.314 15 V C -0.409 175.713 176.094 0.047 0.000 1.073 15 V CA -0.906 61.428 62.300 0.057 0.000 0.956 15 V CB 1.976 33.768 31.823 -0.051 0.000 1.023 15 V HN 0.457 nan 8.190 nan 0.000 0.435 16 V N 3.164 123.107 119.914 0.048 0.000 2.406 16 V HA 0.422 4.542 4.120 0.000 0.000 0.272 16 V C 1.271 177.340 176.094 -0.043 0.000 1.043 16 V CA 0.621 62.946 62.300 0.040 0.000 0.915 16 V CB 0.790 32.664 31.823 0.085 0.000 0.988 16 V HN 1.185 nan 8.190 nan 0.000 0.466 17 T N 0.586 115.111 114.554 -0.049 0.000 2.975 17 T HA 0.643 4.993 4.350 0.000 0.000 0.257 17 T C 0.330 174.976 174.700 -0.090 0.000 1.003 17 T CA 0.479 62.525 62.100 -0.091 0.000 0.932 17 T CB 0.652 69.462 68.868 -0.096 0.000 1.087 17 T HN 1.001 nan 8.240 nan 0.000 0.512 18 A N 0.944 123.726 122.820 -0.063 0.000 2.612 18 A HA 0.775 5.096 4.320 0.000 0.000 0.293 18 A C -1.242 176.322 177.584 -0.033 0.000 1.075 18 A CA -0.552 51.449 52.037 -0.061 0.000 0.680 18 A CB 1.616 20.570 19.000 -0.076 0.000 1.279 18 A HN 1.084 nan 8.150 nan 0.000 0.411 19 V N -1.858 118.034 119.914 -0.037 0.000 2.971 19 V HA 0.979 5.099 4.120 0.000 0.000 0.309 19 V C -0.607 175.478 176.094 -0.016 0.000 1.130 19 V CA -0.083 62.199 62.300 -0.030 0.000 0.964 19 V CB 1.360 33.140 31.823 -0.071 0.000 1.029 19 V HN 1.601 nan 8.190 nan 0.000 0.427 20 T N 1.766 116.320 114.554 0.000 0.000 2.923 20 T HA 0.893 5.244 4.350 0.000 0.000 0.311 20 T C -0.911 173.795 174.700 0.010 0.000 1.183 20 T CA 0.339 62.444 62.100 0.007 0.000 1.020 20 T CB 1.561 70.441 68.868 0.021 0.000 1.165 20 T HN 2.273 nan 8.240 nan 0.000 0.482 21 A N 1.996 124.825 122.820 0.014 0.000 2.589 21 A HA 0.725 5.046 4.320 0.000 0.000 0.296 21 A C -0.619 176.985 177.584 0.032 0.000 1.062 21 A CA -0.641 51.411 52.037 0.024 0.000 0.686 21 A CB 1.934 20.950 19.000 0.027 0.000 1.282 21 A HN 0.760 nan 8.150 nan 0.000 0.404 22 T N 1.087 115.665 114.554 0.040 0.000 2.797 22 T HA 0.770 5.121 4.350 0.000 0.000 0.279 22 T C 0.006 174.752 174.700 0.077 0.000 0.991 22 T CA 0.531 62.664 62.100 0.055 0.000 0.979 22 T CB 0.690 69.584 68.868 0.045 0.000 0.943 22 T HN 1.779 nan 8.240 nan 0.000 0.444 23 T N 0.159 114.766 114.554 0.089 0.000 2.804 23 T HA 0.437 4.787 4.350 0.000 0.000 0.290 23 T C 1.427 176.192 174.700 0.108 0.000 1.099 23 T CA -0.005 62.151 62.100 0.094 0.000 1.011 23 T CB 1.000 69.921 68.868 0.088 0.000 1.291 23 T HN 0.484 nan 8.240 nan 0.000 0.523 24 S N -0.204 115.558 115.700 0.103 0.000 2.507 24 S HA 0.036 4.506 4.470 0.000 0.000 0.235 24 S C 1.683 176.355 174.600 0.121 0.000 0.988 24 S CA 0.431 58.698 58.200 0.112 0.000 0.944 24 S CB -0.876 62.367 63.200 0.070 0.000 0.762 24 S HN 0.623 nan 8.310 nan 0.000 0.526 25 I N 0.101 120.734 120.570 0.106 0.000 2.628 25 I HA 0.170 4.340 4.170 0.000 0.000 0.255 25 I C 1.108 177.290 176.117 0.109 0.000 1.119 25 I CA 0.442 61.807 61.300 0.110 0.000 1.448 25 I CB 0.297 38.353 38.000 0.094 0.000 1.133 25 I HN 0.340 nan 8.210 nan 0.000 0.438 26 S N -0.774 114.988 115.700 0.103 0.000 2.552 26 S HA 0.317 4.787 4.470 0.000 0.000 0.272 26 S C -2.305 172.350 174.600 0.092 0.000 1.150 26 S CA -0.925 57.333 58.200 0.096 0.000 0.849 26 S CB 1.767 65.021 63.200 0.090 0.000 1.113 26 S HN -0.170 nan 8.310 nan 0.000 0.458 27 P HA 0.108 nan 4.420 nan 0.000 0.236 27 P C -0.277 177.056 177.300 0.056 0.000 1.177 27 P CA 0.551 63.695 63.100 0.073 0.000 0.773 27 P CB -0.126 31.628 31.700 0.089 0.000 0.878 28 D N 0.257 120.696 120.400 0.065 0.000 2.349 28 D HA 0.085 4.725 4.640 0.000 0.000 0.232 28 D C 1.036 177.376 176.300 0.067 0.000 1.071 28 D CA -0.721 53.314 54.000 0.058 0.000 0.832 28 D CB 0.965 41.801 40.800 0.061 0.000 1.086 28 D HN -0.247 nan 8.370 nan 0.000 0.504 29 I N 3.976 124.578 120.570 0.052 0.000 2.264 29 I HA -0.210 3.961 4.170 0.000 0.000 0.248 29 I C 1.677 177.850 176.117 0.093 0.000 1.111 29 I CA 1.622 62.956 61.300 0.056 0.000 1.382 29 I CB 0.060 38.064 38.000 0.007 0.000 1.060 29 I HN 0.424 nan 8.210 nan 0.000 0.418 30 E N 0.030 120.279 120.200 0.082 0.000 2.204 30 E HA -0.103 4.247 4.350 0.000 0.000 0.194 30 E C 2.301 179.006 176.600 0.175 0.000 0.989 30 E CA 1.218 57.699 56.400 0.134 0.000 0.824 30 E CB -0.260 29.495 29.700 0.091 0.000 0.756 30 E HN 0.499 nan 8.360 nan 0.000 0.477 31 S N 0.414 116.189 115.700 0.125 0.000 2.414 31 S HA -0.063 4.407 4.470 0.000 0.000 0.227 31 S C 2.077 176.750 174.600 0.122 0.000 1.022 31 S CA 1.028 59.293 58.200 0.110 0.000 0.958 31 S CB -0.153 63.097 63.200 0.084 0.000 0.797 31 S HN 0.252 nan 8.310 nan 0.000 0.493 32 T N 1.414 116.053 114.554 0.142 0.000 2.684 32 T HA -0.164 4.186 4.350 0.000 0.000 0.267 32 T C 1.325 176.151 174.700 0.210 0.000 1.036 32 T CA 1.175 63.369 62.100 0.156 0.000 1.148 32 T CB -0.343 68.617 68.868 0.153 0.000 0.863 32 T HN 0.616 nan 8.240 nan 0.000 0.436 33 W N 2.042 123.351 121.300 0.015 0.000 2.355 33 W HA -0.160 4.500 4.660 -0.000 0.000 0.309 33 W C 2.036 178.552 176.519 -0.005 0.000 1.206 33 W CA 1.164 58.509 57.345 0.000 0.000 1.284 33 W CB -0.119 29.335 29.460 -0.010 0.000 1.145 33 W HN 0.262 nan 8.180 nan 0.000 0.502 34 K N -0.240 120.188 120.400 0.047 0.000 2.097 34 K HA -0.136 4.185 4.320 0.000 0.000 0.206 34 K C 2.284 178.829 176.600 -0.092 0.000 1.049 34 K CA 1.440 57.677 56.287 -0.084 0.000 0.933 34 K CB -0.851 31.657 32.500 0.012 0.000 0.717 34 K HN 0.233 nan 8.250 nan 0.000 0.442 35 G N 1.542 110.330 108.800 -0.019 0.000 2.404 35 G HA2 -0.215 3.746 3.960 0.000 0.000 0.215 35 G HA3 -0.215 3.746 3.960 0.000 0.000 0.215 35 G C 1.503 176.376 174.900 -0.044 0.000 1.174 35 G CA 0.487 45.582 45.100 -0.009 0.000 0.780 35 G HN 0.077 nan 8.290 nan 0.000 0.537 36 L N -0.018 121.171 121.223 -0.058 0.000 2.012 36 L HA -0.080 4.260 4.340 0.000 0.000 0.210 36 L C 2.922 179.664 176.870 -0.213 0.000 1.073 36 L CA 0.803 55.591 54.840 -0.086 0.000 0.748 36 L CB -0.478 41.553 42.059 -0.046 0.000 0.891 36 L HN 0.185 nan 8.230 nan 0.000 0.431 37 L N -0.343 120.654 121.223 -0.376 0.000 2.127 37 L HA -0.177 4.163 4.340 0.000 0.000 0.211 37 L C 2.502 179.249 176.870 -0.205 0.000 1.089 37 L CA 1.008 55.612 54.840 -0.392 0.000 0.757 37 L CB -0.633 41.118 42.059 -0.514 0.000 0.899 37 L HN 0.246 nan 8.230 nan 0.000 0.434 38 A N -0.419 122.319 122.820 -0.136 0.000 2.238 38 A HA 0.308 4.628 4.320 0.000 0.000 0.208 38 A C 1.702 179.260 177.584 -0.044 0.000 1.177 38 A CA 0.648 52.643 52.037 -0.070 0.000 0.804 38 A CB -0.501 18.473 19.000 -0.042 0.000 0.823 38 A HN 0.513 nan 8.150 nan 0.000 0.482 39 G N -0.371 108.398 108.800 -0.051 0.000 2.147 39 G HA2 -0.276 3.684 3.960 0.000 0.000 0.244 39 G HA3 -0.276 3.684 3.960 0.000 0.000 0.244 39 G C -0.024 174.880 174.900 0.007 0.000 1.005 39 G CA 0.438 45.528 45.100 -0.016 0.000 0.713 39 G HN 0.794 nan 8.290 nan 0.000 0.515 40 E N 0.396 120.601 120.200 0.009 0.000 2.366 40 E HA 0.540 4.890 4.350 0.000 0.000 0.266 40 E C 0.357 176.979 176.600 0.035 0.000 1.051 40 E CA 0.165 56.584 56.400 0.032 0.000 0.884 40 E CB 0.653 30.377 29.700 0.040 0.000 1.006 40 E HN 0.254 nan 8.360 nan 0.000 0.417 41 S N 1.851 117.574 115.700 0.038 0.000 2.501 41 S HA 0.503 4.973 4.470 0.000 0.000 0.301 41 S C 0.507 175.087 174.600 -0.035 0.000 1.096 41 S CA -0.195 58.005 58.200 0.001 0.000 1.063 41 S CB 1.507 64.697 63.200 -0.017 0.000 1.042 41 S HN 0.630 nan 8.310 nan 0.000 0.494 42 G N 3.068 111.817 108.800 -0.085 0.000 3.141 42 G HA2 0.215 4.175 3.960 0.000 0.000 0.218 42 G HA3 0.215 4.175 3.960 0.000 0.000 0.218 42 G C 0.086 174.705 174.900 -0.467 0.000 1.170 42 G CA -0.083 44.926 45.100 -0.152 0.000 0.769 42 G HN 0.596 nan 8.290 nan 0.000 0.546 43 I N 2.055 122.328 120.570 -0.495 0.000 2.331 43 I HA 0.456 4.626 4.170 0.000 0.000 0.292 43 I C -0.252 175.530 176.117 -0.559 0.000 0.998 43 I CA -0.930 60.126 61.300 -0.406 0.000 1.267 43 I CB 0.548 38.457 38.000 -0.152 0.000 1.386 43 I HN 0.076 nan 8.210 nan 0.000 0.476 44 H N 3.286 122.381 119.070 0.041 0.000 2.931 44 H HA 0.597 5.153 4.556 0.001 0.000 0.331 44 H C -0.295 175.055 175.328 0.037 0.000 1.273 44 H CA -1.019 55.054 56.048 0.041 0.000 1.171 44 H CB 1.501 31.294 29.762 0.052 0.000 1.898 44 H HN 0.593 nan 8.280 nan 0.000 0.562 45 A N 1.392 124.317 122.820 0.176 0.000 2.511 45 A HA 0.218 4.539 4.320 0.000 0.000 0.242 45 A C 0.335 177.983 177.584 0.107 0.000 1.069 45 A CA -0.221 51.877 52.037 0.103 0.000 0.763 45 A CB -0.501 18.541 19.000 0.070 0.000 1.001 45 A HN 0.463 nan 8.150 nan 0.000 0.498 46 L N 2.543 123.811 121.223 0.075 0.000 2.367 46 L HA 0.155 4.496 4.340 0.000 0.000 0.275 46 L C 1.016 177.896 176.870 0.017 0.000 1.129 46 L CA 0.048 54.928 54.840 0.067 0.000 0.839 46 L CB 0.687 42.769 42.059 0.039 0.000 1.133 46 L HN 0.852 nan 8.230 nan 0.000 0.453 47 E N 0.975 121.185 120.200 0.018 0.000 2.481 47 E HA 0.056 4.406 4.350 0.000 0.000 0.198 47 E C -0.547 175.977 176.600 -0.126 0.000 1.027 47 E CA -0.190 56.186 56.400 -0.041 0.000 0.900 47 E CB 0.343 30.033 29.700 -0.016 0.000 0.993 47 E HN 0.708 nan 8.360 nan 0.000 0.482 48 D N 2.305 122.565 120.400 -0.233 0.000 2.443 48 D HA -0.071 4.569 4.640 0.000 0.000 0.239 48 D C 1.099 177.137 176.300 -0.437 0.000 1.136 48 D CA 0.204 53.934 54.000 -0.450 0.000 0.879 48 D CB 0.932 41.110 40.800 -1.037 0.000 1.195 48 D HN -0.058 nan 8.370 nan 0.000 0.443 49 E N 1.915 121.955 120.200 -0.266 0.000 2.204 49 E HA -0.188 4.162 4.350 0.000 0.000 0.195 49 E C 1.622 178.162 176.600 -0.100 0.000 0.990 49 E CA 0.813 57.127 56.400 -0.144 0.000 0.821 49 E CB -0.021 29.638 29.700 -0.069 0.000 0.750 49 E HN 0.684 nan 8.360 nan 0.000 0.477 50 F N -0.615 119.358 119.950 0.039 0.000 2.365 50 F HA -0.074 4.453 4.527 0.000 0.000 0.300 50 F C 1.986 177.871 175.800 0.142 0.000 1.090 50 F CA 0.377 58.431 58.000 0.090 0.000 1.408 50 F CB -1.101 38.021 39.000 0.203 0.000 1.060 50 F HN -0.197 nan 8.300 nan 0.000 0.534 51 V N 1.348 121.294 119.914 0.054 0.000 2.307 51 V HA -0.271 3.849 4.120 0.000 0.000 0.245 51 V C 2.759 178.923 176.094 0.116 0.000 1.045 51 V CA 2.573 64.969 62.300 0.161 0.000 1.024 51 V CB -1.315 30.502 31.823 -0.010 0.000 0.651 51 V HN 0.644 nan 8.190 nan 0.000 0.449 52 T N -1.865 112.695 114.554 0.010 0.000 2.896 52 T HA -0.188 4.162 4.350 0.000 0.000 0.263 52 T C 1.880 176.550 174.700 -0.051 0.000 1.050 52 T CA 1.368 63.462 62.100 -0.011 0.000 1.140 52 T CB -0.270 68.573 68.868 -0.041 0.000 0.877 52 T HN 0.389 nan 8.240 nan 0.000 0.457 53 K N 0.251 120.573 120.400 -0.131 0.000 2.044 53 K HA -0.147 4.173 4.320 0.000 0.000 0.210 53 K C 1.472 177.809 176.600 -0.437 0.000 1.049 53 K CA 1.792 57.858 56.287 -0.368 0.000 0.927 53 K CB -0.270 31.888 32.500 -0.570 0.000 0.713 53 K HN 0.627 nan 8.250 nan 0.000 0.443 54 W N 0.681 122.035 121.300 0.090 0.000 3.278 54 W HA 0.090 4.750 4.660 0.000 0.000 0.308 54 W C -0.112 176.444 176.519 0.062 0.000 1.253 54 W CA -0.531 56.858 57.345 0.074 0.000 1.759 54 W CB 0.404 29.918 29.460 0.091 0.000 1.093 54 W HN 0.204 nan 8.180 nan 0.000 0.648 55 D N 1.589 122.117 120.400 0.214 0.000 2.704 55 D HA -0.210 4.430 4.640 0.000 0.000 0.232 55 D C -0.050 176.352 176.300 0.170 0.000 1.183 55 D CA 0.609 54.699 54.000 0.149 0.000 0.647 55 D CB -0.972 39.891 40.800 0.105 0.000 1.013 55 D HN 0.099 nan 8.370 nan 0.000 0.415 56 L N -0.117 121.235 121.223 0.215 0.000 2.514 56 L HA 0.167 4.507 4.340 0.000 0.000 0.280 56 L C 2.116 179.056 176.870 0.117 0.000 1.223 56 L CA 0.178 55.129 54.840 0.185 0.000 0.864 56 L CB 0.362 42.566 42.059 0.241 0.000 1.118 56 L HN 0.269 nan 8.230 nan 0.000 0.494 57 A N 3.721 126.591 122.820 0.082 0.000 1.933 57 A HA -0.023 4.297 4.320 0.000 0.000 0.218 57 A C 0.860 178.471 177.584 0.044 0.000 1.175 57 A CA 0.841 52.908 52.037 0.049 0.000 0.628 57 A CB -0.186 18.828 19.000 0.024 0.000 0.814 57 A HN 0.418 nan 8.150 nan 0.000 0.444 58 V N 0.640 120.589 119.914 0.058 0.000 2.432 58 V HA 0.231 4.351 4.120 0.000 0.000 0.275 58 V C 0.358 176.508 176.094 0.095 0.000 1.043 58 V CA -0.134 62.198 62.300 0.054 0.000 0.925 58 V CB 1.191 33.041 31.823 0.046 0.000 0.985 58 V HN 0.436 nan 8.190 nan 0.000 0.466 59 K N 5.699 126.142 120.400 0.071 0.000 2.706 59 K HA 0.437 4.757 4.320 0.000 0.000 0.203 59 K C -0.419 176.219 176.600 0.063 0.000 1.102 59 K CA -0.053 56.277 56.287 0.073 0.000 1.058 59 K CB 0.637 33.169 32.500 0.053 0.000 0.779 59 K HN 0.753 nan 8.250 nan 0.000 0.483 60 I N -3.667 116.942 120.570 0.065 0.000 2.969 60 I HA 0.860 5.030 4.170 0.000 0.000 0.307 60 I C -0.416 175.733 176.117 0.054 0.000 1.149 60 I CA -1.039 60.292 61.300 0.050 0.000 1.008 60 I CB 2.519 40.536 38.000 0.029 0.000 1.232 60 I HN 0.022 nan 8.210 nan 0.000 0.435 61 G N 1.378 110.192 108.800 0.023 0.000 2.328 61 G HA2 0.487 4.447 3.960 0.000 0.000 0.299 61 G HA3 0.487 4.447 3.960 0.000 0.000 0.299 61 G C -1.380 173.483 174.900 -0.061 0.000 1.435 61 G CA -0.287 44.818 45.100 0.008 0.000 0.865 61 G HN 1.050 nan 8.290 nan 0.000 0.601 62 G N 0.214 108.980 108.800 -0.057 0.000 2.788 62 G HA2 0.568 4.528 3.960 0.000 0.000 0.327 62 G HA3 0.568 4.528 3.960 0.000 0.000 0.327 62 G C -0.276 174.621 174.900 -0.005 0.000 1.249 62 G CA -0.475 44.601 45.100 -0.040 0.000 1.063 62 G HN 0.600 nan 8.290 nan 0.000 0.497 63 H N 1.626 120.768 119.070 0.120 0.000 2.690 63 H HA 0.111 4.667 4.556 0.000 0.000 0.365 63 H C 0.979 176.378 175.328 0.119 0.000 1.142 63 H CA 0.005 56.122 56.048 0.114 0.000 1.417 63 H CB 1.409 31.237 29.762 0.111 0.000 1.446 63 H HN 0.264 nan 8.280 nan 0.000 0.599 64 L N 2.268 123.647 121.223 0.261 0.000 2.559 64 L HA -0.147 4.193 4.340 0.000 0.000 0.282 64 L C 1.854 178.834 176.870 0.183 0.000 1.232 64 L CA 0.086 55.043 54.840 0.194 0.000 0.885 64 L CB 0.293 42.464 42.059 0.187 0.000 1.131 64 L HN 0.577 nan 8.230 nan 0.000 0.498 65 K N 2.066 122.562 120.400 0.159 0.000 2.063 65 K HA -0.177 4.143 4.320 0.000 0.000 0.208 65 K C 0.360 177.034 176.600 0.124 0.000 1.048 65 K CA 1.540 57.912 56.287 0.141 0.000 0.928 65 K CB -0.010 32.566 32.500 0.127 0.000 0.713 65 K HN 0.601 nan 8.250 nan 0.000 0.442 66 D N 0.342 120.823 120.400 0.135 0.000 2.461 66 D HA 0.264 4.904 4.640 0.000 0.000 0.240 66 D C -2.689 173.717 176.300 0.175 0.000 1.094 66 D CA -2.748 51.343 54.000 0.151 0.000 0.868 66 D CB 1.062 41.975 40.800 0.187 0.000 1.062 66 D HN -0.055 nan 8.370 nan 0.000 0.530 67 P HA -0.022 nan 4.420 nan 0.000 0.268 67 P C 1.255 178.687 177.300 0.219 0.000 1.205 67 P CA -0.448 62.755 63.100 0.172 0.000 0.771 67 P CB 1.135 32.908 31.700 0.122 0.000 0.858 68 V N 2.133 122.169 119.914 0.204 0.000 2.324 68 V HA -0.254 3.866 4.120 0.000 0.000 0.250 68 V C 1.493 177.686 176.094 0.164 0.000 1.060 68 V CA 2.166 64.540 62.300 0.123 0.000 1.042 68 V CB -0.873 30.888 31.823 -0.104 0.000 0.650 68 V HN 0.559 nan 8.190 nan 0.000 0.450 69 D N -0.525 119.964 120.400 0.147 0.000 2.363 69 D HA -0.034 4.607 4.640 0.000 0.000 0.220 69 D C 2.235 178.582 176.300 0.077 0.000 0.994 69 D CA 0.741 54.805 54.000 0.107 0.000 0.890 69 D CB 0.001 40.873 40.800 0.121 0.000 0.906 69 D HN 0.358 nan 8.370 nan 0.000 0.530 70 S N -0.382 115.358 115.700 0.067 0.000 2.507 70 S HA -0.086 4.384 4.470 0.000 0.000 0.235 70 S C 1.216 175.704 174.600 -0.186 0.000 0.988 70 S CA 0.505 58.668 58.200 -0.062 0.000 0.944 70 S CB -0.115 63.023 63.200 -0.103 0.000 0.762 70 S HN 0.489 nan 8.310 nan 0.000 0.526 71 H N -0.669 118.409 119.070 0.014 0.000 2.594 71 H HA 0.312 4.868 4.556 0.001 0.000 0.279 71 H C -0.197 175.132 175.328 0.001 0.000 1.042 71 H CA 0.152 56.205 56.048 0.008 0.000 1.177 71 H CB 0.271 30.036 29.762 0.004 0.000 1.524 71 H HN 0.294 nan 8.280 nan 0.000 0.537 72 M N 0.970 120.623 119.600 0.088 0.000 2.311 72 M HA 0.332 4.812 4.480 0.000 0.000 0.325 72 M C 0.868 177.187 176.300 0.033 0.000 1.061 72 M CA -0.556 54.777 55.300 0.054 0.000 0.957 72 M CB 1.838 34.462 32.600 0.041 0.000 1.646 72 M HN 0.084 nan 8.290 nan 0.000 0.434 73 G N 1.598 110.413 108.800 0.026 0.000 2.563 73 G HA2 0.345 4.305 3.960 0.000 0.000 0.283 73 G HA3 0.345 4.305 3.960 0.000 0.000 0.283 73 G C 0.715 175.625 174.900 0.017 0.000 1.309 73 G CA -0.342 44.768 45.100 0.018 0.000 1.022 73 G HN 0.857 nan 8.290 nan 0.000 0.501 74 R N -0.906 119.602 120.500 0.013 0.000 2.081 74 R HA -0.004 4.337 4.340 0.000 0.000 0.235 74 R C 2.447 178.754 176.300 0.012 0.000 1.131 74 R CA 1.025 57.133 56.100 0.013 0.000 0.960 74 R CB -0.341 29.965 30.300 0.011 0.000 0.856 74 R HN 0.531 nan 8.270 nan 0.000 0.436 75 L N 0.550 121.779 121.223 0.009 0.000 1.994 75 L HA -0.211 4.130 4.340 0.000 0.000 0.208 75 L C 1.982 178.856 176.870 0.007 0.000 1.071 75 L CA 1.404 56.248 54.840 0.007 0.000 0.745 75 L CB -0.516 41.545 42.059 0.004 0.000 0.892 75 L HN 0.214 nan 8.230 nan 0.000 0.431 76 D N -0.410 119.994 120.400 0.007 0.000 2.144 76 D HA -0.174 4.466 4.640 0.000 0.000 0.199 76 D C 2.276 178.582 176.300 0.011 0.000 0.984 76 D CA 1.111 55.114 54.000 0.004 0.000 0.834 76 D CB -0.082 40.719 40.800 0.002 0.000 0.955 76 D HN 0.180 nan 8.370 nan 0.000 0.465 77 M N -0.007 119.605 119.600 0.019 0.000 2.279 77 M HA -0.063 4.417 4.480 0.000 0.000 0.264 77 M C 1.800 178.117 176.300 0.028 0.000 1.062 77 M CA 1.126 56.444 55.300 0.029 0.000 1.099 77 M CB -0.423 32.197 32.600 0.033 0.000 1.394 77 M HN 0.019 nan 8.290 nan 0.000 0.426 78 R N -0.791 119.720 120.500 0.019 0.000 2.237 78 R HA 0.129 4.470 4.340 0.000 0.000 0.195 78 R C 1.387 177.694 176.300 0.012 0.000 0.956 78 R CA 0.308 56.418 56.100 0.017 0.000 1.029 78 R CB 0.482 30.790 30.300 0.012 0.000 0.972 78 R HN 0.370 nan 8.270 nan 0.000 0.493 79 R N -0.475 120.030 120.500 0.008 0.000 2.476 79 R HA 0.339 4.679 4.340 0.000 0.000 0.276 79 R C -0.019 176.281 176.300 0.000 0.000 0.941 79 R CA 0.082 56.183 56.100 0.002 0.000 1.088 79 R CB 0.847 31.145 30.300 -0.002 0.000 1.216 79 R HN -0.006 nan 8.270 nan 0.000 0.533 80 M N 0.209 119.812 119.600 0.005 0.000 2.501 80 M HA 0.270 4.751 4.480 0.000 0.000 0.293 80 M C -0.043 176.269 176.300 0.020 0.000 1.192 80 M CA -0.860 54.442 55.300 0.003 0.000 0.886 80 M CB 2.389 34.982 32.600 -0.011 0.000 1.710 80 M HN -0.079 nan 8.290 nan 0.000 0.457 81 S N 0.466 116.182 115.700 0.026 0.000 2.608 81 S HA 0.134 4.604 4.470 0.000 0.000 0.261 81 S C 0.752 175.399 174.600 0.079 0.000 1.314 81 S CA -0.285 57.951 58.200 0.061 0.000 0.992 81 S CB 0.528 63.764 63.200 0.060 0.000 0.935 81 S HN 0.785 nan 8.310 nan 0.000 0.564 82 Y N 1.571 121.881 120.300 0.016 0.000 2.128 82 Y HA -0.171 4.379 4.550 0.000 0.000 0.284 82 Y C 2.309 178.220 175.900 0.019 0.000 1.154 82 Y CA 2.432 60.544 58.100 0.021 0.000 1.149 82 Y CB -0.770 37.705 38.460 0.025 0.000 0.976 82 Y HN 0.536 nan 8.280 nan 0.000 0.505 83 V N -1.360 118.644 119.914 0.150 0.000 2.626 83 V HA -0.245 3.876 4.120 0.000 0.000 0.252 83 V C 1.869 177.938 176.094 -0.041 0.000 1.067 83 V CA 1.976 64.310 62.300 0.056 0.000 1.081 83 V CB -0.941 30.951 31.823 0.115 0.000 0.686 83 V HN 0.503 nan 8.190 nan 0.000 0.468 84 Q N 0.280 120.061 119.800 -0.032 0.000 2.079 84 Q HA -0.109 4.231 4.340 0.000 0.000 0.200 84 Q C 2.559 178.508 176.000 -0.085 0.000 0.974 84 Q CA 1.900 57.676 55.803 -0.046 0.000 0.840 84 Q CB -0.177 28.546 28.738 -0.026 0.000 0.898 84 Q HN 0.646 nan 8.270 nan 0.000 0.430 85 R N 0.193 120.617 120.500 -0.128 0.000 2.081 85 R HA -0.107 4.233 4.340 0.000 0.000 0.235 85 R C 2.296 178.473 176.300 -0.205 0.000 1.131 85 R CA 1.428 57.433 56.100 -0.158 0.000 0.960 85 R CB -0.354 29.839 30.300 -0.178 0.000 0.856 85 R HN 0.319 nan 8.270 nan 0.000 0.436 86 M N 0.410 119.822 119.600 -0.313 0.000 2.108 86 M HA -0.117 4.363 4.480 0.000 0.000 0.261 86 M C 2.100 178.329 176.300 -0.119 0.000 1.066 86 M CA 2.162 57.318 55.300 -0.242 0.000 1.107 86 M CB -0.380 32.069 32.600 -0.252 0.000 1.356 86 M HN 0.261 nan 8.290 nan 0.000 0.406 87 G N 0.450 109.197 108.800 -0.089 0.000 2.446 87 G HA2 -0.289 3.671 3.960 0.000 0.000 0.217 87 G HA3 -0.289 3.671 3.960 0.000 0.000 0.217 87 G C 1.523 176.396 174.900 -0.046 0.000 1.168 87 G CA 1.272 46.342 45.100 -0.049 0.000 0.771 87 G HN 0.553 nan 8.290 nan 0.000 0.551 88 K N -0.300 120.065 120.400 -0.058 0.000 2.032 88 K HA -0.086 4.235 4.320 0.000 0.000 0.209 88 K C 2.428 179.003 176.600 -0.043 0.000 1.048 88 K CA 1.368 57.626 56.287 -0.047 0.000 0.927 88 K CB -0.285 32.187 32.500 -0.047 0.000 0.712 88 K HN 0.252 nan 8.250 nan 0.000 0.441 89 L N 1.550 122.733 121.223 -0.066 0.000 1.994 89 L HA -0.138 4.203 4.340 0.000 0.000 0.208 89 L C 2.045 178.878 176.870 -0.062 0.000 1.071 89 L CA 1.608 56.397 54.840 -0.085 0.000 0.745 89 L CB -0.476 41.498 42.059 -0.142 0.000 0.892 89 L HN 0.242 nan 8.230 nan 0.000 0.431 90 L N -0.877 120.317 121.223 -0.048 0.000 2.093 90 L HA -0.078 4.263 4.340 0.000 0.000 0.208 90 L C 2.540 179.428 176.870 0.030 0.000 1.085 90 L CA 1.095 55.928 54.840 -0.012 0.000 0.755 90 L CB -1.449 40.607 42.059 -0.004 0.000 0.904 90 L HN 0.468 nan 8.230 nan 0.000 0.435 91 G N 0.026 108.843 108.800 0.029 0.000 2.446 91 G HA2 -0.218 3.742 3.960 0.000 0.000 0.217 91 G HA3 -0.218 3.742 3.960 0.000 0.000 0.217 91 G C 1.587 176.552 174.900 0.109 0.000 1.168 91 G CA 0.815 45.954 45.100 0.065 0.000 0.771 91 G HN 0.481 nan 8.290 nan 0.000 0.551 92 G N 0.034 108.873 108.800 0.066 0.000 2.402 92 G HA2 -0.147 3.813 3.960 0.000 0.000 0.216 92 G HA3 -0.147 3.813 3.960 0.000 0.000 0.216 92 G C 1.807 176.778 174.900 0.118 0.000 1.162 92 G CA 1.065 46.221 45.100 0.094 0.000 0.777 92 G HN 0.510 nan 8.290 nan 0.000 0.539 93 Q N -0.629 119.212 119.800 0.067 0.000 2.050 93 Q HA -0.057 4.283 4.340 0.000 0.000 0.202 93 Q C 2.506 178.553 176.000 0.078 0.000 0.980 93 Q CA 1.192 57.026 55.803 0.052 0.000 0.840 93 Q CB -0.290 28.454 28.738 0.009 0.000 0.898 93 Q HN 0.416 nan 8.270 nan 0.000 0.424 94 L N 0.074 121.361 121.223 0.107 0.000 2.046 94 L HA -0.172 4.169 4.340 0.000 0.000 0.208 94 L C 1.922 178.885 176.870 0.155 0.000 1.077 94 L CA 1.730 56.642 54.840 0.120 0.000 0.747 94 L CB -0.546 41.609 42.059 0.160 0.000 0.896 94 L HN 0.400 nan 8.230 nan 0.000 0.432 95 W N 0.494 121.799 121.300 0.008 0.000 2.363 95 W HA -0.235 4.425 4.660 0.000 0.000 0.296 95 W C 2.395 178.909 176.519 -0.007 0.000 1.212 95 W CA 1.778 59.124 57.345 0.002 0.000 1.260 95 W CB 0.069 29.539 29.460 0.016 0.000 1.131 95 W HN 0.421 nan 8.180 nan 0.000 0.530 96 E N -0.231 120.041 120.200 0.120 0.000 2.072 96 E HA -0.223 4.128 4.350 0.000 0.000 0.191 96 E C 2.247 178.820 176.600 -0.044 0.000 0.985 96 E CA 1.553 57.970 56.400 0.028 0.000 0.801 96 E CB -0.411 29.324 29.700 0.059 0.000 0.750 96 E HN -0.043 nan 8.360 nan 0.000 0.452 97 S N -0.655 115.024 115.700 -0.035 0.000 2.419 97 S HA -0.069 4.401 4.470 0.000 0.000 0.233 97 S C 1.725 176.254 174.600 -0.117 0.000 1.016 97 S CA 0.978 59.144 58.200 -0.057 0.000 0.974 97 S CB -0.169 63.012 63.200 -0.033 0.000 0.786 97 S HN 0.426 nan 8.310 nan 0.000 0.492 98 A N -0.245 122.455 122.820 -0.200 0.000 2.238 98 A HA 0.490 4.810 4.320 0.000 0.000 0.208 98 A C 1.495 178.888 177.584 -0.318 0.000 1.177 98 A CA 0.773 52.632 52.037 -0.298 0.000 0.804 98 A CB -0.909 17.797 19.000 -0.490 0.000 0.823 98 A HN 1.215 nan 8.150 nan 0.000 0.482 99 G N -1.272 107.381 108.800 -0.245 0.000 2.137 99 G HA2 -0.152 3.809 3.960 0.000 0.000 0.237 99 G HA3 -0.152 3.809 3.960 0.000 0.000 0.237 99 G C 0.440 175.202 174.900 -0.229 0.000 1.002 99 G CA 0.380 45.363 45.100 -0.195 0.000 0.702 99 G HN 1.235 nan 8.290 nan 0.000 0.515 100 S N -0.214 115.287 115.700 -0.333 0.000 3.477 100 S HA -0.153 4.318 4.470 0.000 0.000 0.371 100 S C -1.016 173.470 174.600 -0.190 0.000 0.965 100 S CA 1.066 59.112 58.200 -0.258 0.000 1.239 100 S CB -0.834 62.384 63.200 0.030 0.000 0.918 100 S HN 1.042 nan 8.310 nan 0.000 0.498 101 P HA 0.282 nan 4.420 nan 0.000 0.274 101 P C -0.325 177.026 177.300 0.085 0.000 1.231 101 P CA -0.151 62.833 63.100 -0.194 0.000 0.790 101 P CB 0.602 32.103 31.700 -0.331 0.000 0.951 102 E N 0.770 121.017 120.200 0.078 0.000 2.046 102 E HA 0.299 4.649 4.350 0.000 0.000 0.279 102 E C 0.090 176.752 176.600 0.104 0.000 0.989 102 E CA -0.759 55.718 56.400 0.128 0.000 0.798 102 E CB 0.988 30.735 29.700 0.079 0.000 1.086 102 E HN 0.287 nan 8.360 nan 0.000 0.399 103 V N -0.107 119.895 119.914 0.148 0.000 2.994 103 V HA 0.394 4.514 4.120 0.000 0.000 0.318 103 V C 0.068 176.241 176.094 0.131 0.000 1.085 103 V CA -1.151 61.229 62.300 0.134 0.000 0.998 103 V CB 1.888 33.760 31.823 0.081 0.000 1.063 103 V HN 0.429 nan 8.190 nan 0.000 0.447 104 D N 2.568 123.057 120.400 0.148 0.000 2.346 104 D HA 0.291 4.931 4.640 0.000 0.000 0.260 104 D C -1.642 174.758 176.300 0.168 0.000 1.252 104 D CA -1.823 52.256 54.000 0.132 0.000 0.895 104 D CB 1.635 42.508 40.800 0.121 0.000 1.097 104 D HN 0.390 nan 8.370 nan 0.000 0.489 105 P HA -0.096 nan 4.420 nan 0.000 0.219 105 P C 0.462 177.854 177.300 0.152 0.000 1.146 105 P CA 0.801 64.022 63.100 0.202 0.000 0.808 105 P CB 0.330 32.100 31.700 0.117 0.000 0.779 106 D N -1.306 119.157 120.400 0.104 0.000 2.363 106 D HA -0.024 4.616 4.640 0.000 0.000 0.220 106 D C 1.313 177.656 176.300 0.073 0.000 0.994 106 D CA 0.611 54.651 54.000 0.067 0.000 0.890 106 D CB -0.066 40.762 40.800 0.047 0.000 0.906 106 D HN 0.114 nan 8.370 nan 0.000 0.530 107 R N -0.070 120.498 120.500 0.114 0.000 2.543 107 R HA 0.153 4.493 4.340 0.000 0.000 0.323 107 R C -0.318 176.080 176.300 0.163 0.000 1.002 107 R CA -0.433 55.727 56.100 0.101 0.000 1.106 107 R CB 0.120 30.471 30.300 0.085 0.000 1.280 107 R HN 0.025 nan 8.270 nan 0.000 0.549 108 F N 1.454 121.401 119.950 -0.006 0.000 2.427 108 F HA 0.685 5.212 4.527 -0.000 0.000 0.348 108 F C -0.817 174.974 175.800 -0.015 0.000 1.125 108 F CA -2.277 55.721 58.000 -0.003 0.000 0.989 108 F CB 1.088 40.103 39.000 0.025 0.000 1.165 108 F HN -0.001 nan 8.300 nan 0.000 0.442 109 A N 4.952 127.763 122.820 -0.016 0.000 2.322 109 A HA 0.876 5.196 4.320 0.000 0.000 0.327 109 A C -1.549 175.876 177.584 -0.265 0.000 1.134 109 A CA -0.689 51.235 52.037 -0.188 0.000 0.831 109 A CB 1.600 20.569 19.000 -0.052 0.000 1.288 109 A HN 0.568 nan 8.150 nan 0.000 0.472 110 V N 0.897 120.665 119.914 -0.243 0.000 2.588 110 V HA 0.548 4.668 4.120 0.000 0.000 0.304 110 V C -0.947 175.104 176.094 -0.071 0.000 1.042 110 V CA -0.386 61.818 62.300 -0.159 0.000 0.877 110 V CB 1.791 33.477 31.823 -0.227 0.000 0.996 110 V HN 0.683 nan 8.190 nan 0.000 0.425 111 V N 5.254 125.162 119.914 -0.010 0.000 2.488 111 V HA 0.568 4.689 4.120 0.000 0.000 0.293 111 V C -0.712 175.400 176.094 0.030 0.000 1.027 111 V CA -0.517 61.791 62.300 0.014 0.000 0.862 111 V CB 1.821 33.679 31.823 0.059 0.000 1.008 111 V HN 0.568 nan 8.190 nan 0.000 0.428 112 V N 3.538 123.461 119.914 0.015 0.000 2.569 112 V HA 0.748 4.869 4.120 0.000 0.000 0.301 112 V C 0.678 176.787 176.094 0.024 0.000 1.044 112 V CA -0.330 61.984 62.300 0.024 0.000 0.874 112 V CB 2.008 33.837 31.823 0.011 0.000 1.002 112 V HN 0.901 nan 8.190 nan 0.000 0.424 113 G N 2.795 111.617 108.800 0.037 0.000 2.476 113 G HA2 0.672 4.632 3.960 0.000 0.000 0.286 113 G HA3 0.672 4.632 3.960 0.000 0.000 0.286 113 G C -0.027 174.896 174.900 0.037 0.000 1.177 113 G CA 0.170 45.292 45.100 0.036 0.000 0.870 113 G HN 0.821 nan 8.290 nan 0.000 0.528 114 T N -1.857 112.718 114.554 0.036 0.000 2.887 114 T HA 0.790 5.140 4.350 0.000 0.000 0.292 114 T C 0.605 175.336 174.700 0.051 0.000 1.087 114 T CA -0.023 62.105 62.100 0.045 0.000 1.009 114 T CB 1.881 70.774 68.868 0.042 0.000 1.203 114 T HN 0.853 nan 8.240 nan 0.000 0.518 115 G N -0.143 108.693 108.800 0.061 0.000 3.306 115 G HA2 0.478 4.439 3.960 0.000 0.000 0.202 115 G HA3 0.478 4.439 3.960 0.000 0.000 0.202 115 G C -0.597 174.353 174.900 0.084 0.000 1.673 115 G CA -0.705 44.441 45.100 0.077 0.000 0.776 115 G HN 0.663 nan 8.290 nan 0.000 0.740 116 L N 2.147 123.428 121.223 0.097 0.000 2.475 116 L HA 0.406 4.746 4.340 0.000 0.000 0.253 116 L C 1.273 178.177 176.870 0.055 0.000 1.137 116 L CA 1.006 55.909 54.840 0.104 0.000 1.058 116 L CB -0.593 41.579 42.059 0.189 0.000 1.382 116 L HN 1.016 nan 8.230 nan 0.000 0.416 117 G N 2.148 110.973 108.800 0.042 0.000 3.076 117 G HA2 -0.219 3.741 3.960 0.000 0.000 0.256 117 G HA3 -0.219 3.741 3.960 0.000 0.000 0.256 117 G C 0.606 175.523 174.900 0.028 0.000 1.589 117 G CA 0.066 45.180 45.100 0.024 0.000 1.044 117 G HN 1.084 nan 8.290 nan 0.000 0.563 118 G N 0.003 108.806 108.800 0.005 0.000 2.363 118 G HA2 0.300 4.260 3.960 0.000 0.000 0.286 118 G HA3 0.300 4.260 3.960 0.000 0.000 0.286 118 G C 0.692 175.613 174.900 0.034 0.000 0.975 118 G CA 1.216 46.327 45.100 0.017 0.000 1.309 118 G HN 2.441 nan 8.290 nan 0.000 0.491 119 A N 0.854 123.681 122.820 0.012 0.000 2.637 119 A HA 0.529 4.849 4.320 0.000 0.000 0.293 119 A C 1.742 179.342 177.584 0.027 0.000 1.216 119 A CA 0.949 53.000 52.037 0.022 0.000 0.956 119 A CB 0.109 19.117 19.000 0.013 0.000 1.174 119 A HN 0.746 nan 8.150 nan 0.000 0.525 120 E N 0.679 120.896 120.200 0.030 0.000 2.150 120 E HA -0.166 4.184 4.350 0.000 0.000 0.193 120 E C 1.099 177.727 176.600 0.047 0.000 0.985 120 E CA 0.648 57.069 56.400 0.034 0.000 0.814 120 E CB -0.274 29.446 29.700 0.033 0.000 0.752 120 E HN 0.409 nan 8.360 nan 0.000 0.466 121 R N 1.072 121.599 120.500 0.045 0.000 2.189 121 R HA 0.043 4.383 4.340 0.000 0.000 0.218 121 R C 2.453 178.769 176.300 0.027 0.000 1.074 121 R CA 0.848 56.968 56.100 0.034 0.000 0.991 121 R CB -0.424 29.891 30.300 0.025 0.000 0.883 121 R HN 0.424 nan 8.270 nan 0.000 0.457 122 I N -0.967 119.632 120.570 0.050 0.000 2.252 122 I HA -0.150 4.020 4.170 0.000 0.000 0.245 122 I C 2.108 178.333 176.117 0.181 0.000 1.102 122 I CA 1.131 62.473 61.300 0.070 0.000 1.385 122 I CB -1.569 36.517 38.000 0.143 0.000 1.064 122 I HN -0.210 nan 8.210 nan 0.000 0.414 123 V N 1.833 121.877 119.914 0.216 0.000 2.343 123 V HA -0.244 3.876 4.120 0.000 0.000 0.247 123 V C 2.774 178.983 176.094 0.192 0.000 1.051 123 V CA 2.160 64.620 62.300 0.266 0.000 1.036 123 V CB -1.041 30.856 31.823 0.125 0.000 0.654 123 V HN 0.502 nan 8.190 nan 0.000 0.451 124 E N 0.403 120.662 120.200 0.099 0.000 2.160 124 E HA -0.219 4.132 4.350 0.000 0.000 0.195 124 E C 2.244 178.862 176.600 0.031 0.000 0.991 124 E CA 1.637 58.073 56.400 0.059 0.000 0.810 124 E CB -0.026 29.697 29.700 0.039 0.000 0.742 124 E HN 0.614 nan 8.360 nan 0.000 0.466 125 S N -0.362 115.327 115.700 -0.019 0.000 2.357 125 S HA -0.096 4.375 4.470 0.000 0.000 0.221 125 S C 1.562 176.088 174.600 -0.124 0.000 1.031 125 S CA 0.892 59.026 58.200 -0.110 0.000 0.982 125 S CB -0.391 62.682 63.200 -0.211 0.000 0.853 125 S HN 0.366 nan 8.310 nan 0.000 0.458 126 Y N 2.528 122.830 120.300 0.003 0.000 2.069 126 Y HA -0.224 4.326 4.550 0.000 0.000 0.278 126 Y C 2.446 178.348 175.900 0.003 0.000 1.175 126 Y CA 1.425 59.527 58.100 0.002 0.000 1.134 126 Y CB -0.826 37.634 38.460 0.001 0.000 0.965 126 Y HN 0.194 nan 8.280 nan 0.000 0.498 127 D N -0.295 120.207 120.400 0.170 0.000 2.116 127 D HA -0.166 4.474 4.640 0.000 0.000 0.193 127 D C 2.210 178.545 176.300 0.058 0.000 0.998 127 D CA 1.112 55.170 54.000 0.097 0.000 0.836 127 D CB -0.542 40.304 40.800 0.076 0.000 0.951 127 D HN 0.125 nan 8.370 nan 0.000 0.449 128 L N 0.387 121.632 121.223 0.037 0.000 2.043 128 L HA -0.157 4.183 4.340 0.000 0.000 0.212 128 L C 2.411 179.291 176.870 0.016 0.000 1.075 128 L CA 1.428 56.278 54.840 0.017 0.000 0.752 128 L CB -0.852 41.206 42.059 -0.001 0.000 0.891 128 L HN 0.140 nan 8.230 nan 0.000 0.432 129 M N -1.211 118.400 119.600 0.018 0.000 2.193 129 M HA -0.169 4.311 4.480 0.000 0.000 0.265 129 M C 1.913 178.235 176.300 0.036 0.000 1.071 129 M CA 1.432 56.743 55.300 0.019 0.000 1.140 129 M CB -0.135 32.471 32.600 0.009 0.000 1.369 129 M HN 0.268 nan 8.290 nan 0.000 0.423 130 N N 0.443 119.178 118.700 0.058 0.000 2.094 130 N HA -0.161 4.579 4.740 0.000 0.000 0.191 130 N C 1.614 177.144 175.510 0.033 0.000 1.023 130 N CA 1.728 54.808 53.050 0.051 0.000 0.857 130 N CB -0.214 38.309 38.487 0.060 0.000 1.013 130 N HN 0.446 nan 8.380 nan 0.000 0.426 131 A N -0.004 122.834 122.820 0.030 0.000 1.861 131 A HA 0.190 4.510 4.320 0.000 0.000 0.212 131 A C 2.173 179.767 177.584 0.016 0.000 1.199 131 A CA 1.374 53.423 52.037 0.021 0.000 0.613 131 A CB -0.742 18.270 19.000 0.021 0.000 0.846 131 A HN 0.358 nan 8.150 nan 0.000 0.446 132 G N -1.734 107.075 108.800 0.014 0.000 3.020 132 G HA2 0.471 4.431 3.960 0.000 0.000 0.217 132 G HA3 0.471 4.431 3.960 0.000 0.000 0.217 132 G C 0.847 175.751 174.900 0.007 0.000 1.144 132 G CA 0.642 45.748 45.100 0.009 0.000 0.760 132 G HN 1.669 nan 8.290 nan 0.000 0.548 133 G N 0.272 109.078 108.800 0.009 0.000 2.756 133 G HA2 -0.112 3.848 3.960 0.000 0.000 0.678 133 G HA3 -0.112 3.848 3.960 0.000 0.000 0.678 133 G C -1.160 173.740 174.900 0.001 0.000 1.349 133 G CA -0.187 44.917 45.100 0.007 0.000 0.847 133 G HN 0.036 nan 8.290 nan 0.000 0.548 134 P HA -0.116 nan 4.420 nan 0.000 0.219 134 P C 1.495 178.787 177.300 -0.014 0.000 1.146 134 P CA 1.292 64.386 63.100 -0.011 0.000 0.808 134 P CB -0.021 31.674 31.700 -0.008 0.000 0.779 135 R N -0.439 120.056 120.500 -0.009 0.000 2.339 135 R HA 0.006 4.346 4.340 0.000 0.000 0.199 135 R C 1.634 177.928 176.300 -0.010 0.000 1.018 135 R CA 0.610 56.704 56.100 -0.010 0.000 1.036 135 R CB -0.177 30.119 30.300 -0.006 0.000 0.899 135 R HN 0.071 nan 8.270 nan 0.000 0.473 136 K N 0.039 120.433 120.400 -0.009 0.000 2.374 136 K HA 0.111 4.432 4.320 0.000 0.000 0.196 136 K C 0.021 176.612 176.600 -0.015 0.000 1.023 136 K CA 0.089 56.371 56.287 -0.008 0.000 1.103 136 K CB 0.628 33.126 32.500 -0.002 0.000 0.848 136 K HN -0.135 nan 8.250 nan 0.000 0.528 137 V N 0.970 120.869 119.914 -0.025 0.000 2.811 137 V HA 0.050 4.170 4.120 0.000 0.000 0.302 137 V C 0.553 176.628 176.094 -0.031 0.000 1.063 137 V CA -0.388 61.889 62.300 -0.039 0.000 1.088 137 V CB 1.462 33.249 31.823 -0.059 0.000 0.982 137 V HN 0.152 nan 8.190 nan 0.000 0.485 138 S N 4.189 119.870 115.700 -0.031 0.000 2.584 138 S HA 0.313 4.783 4.470 0.000 0.000 0.273 138 S C -1.456 173.129 174.600 -0.026 0.000 1.311 138 S CA -1.158 57.028 58.200 -0.024 0.000 1.034 138 S CB 1.141 64.329 63.200 -0.019 0.000 0.939 138 S HN 0.647 nan 8.310 nan 0.000 0.513 139 P HA 0.067 nan 4.420 nan 0.000 0.230 139 P C 0.640 177.927 177.300 -0.022 0.000 1.158 139 P CA 0.750 63.837 63.100 -0.021 0.000 0.769 139 P CB 0.009 31.698 31.700 -0.017 0.000 0.807 140 L N -1.835 119.376 121.223 -0.020 0.000 2.591 140 L HA 0.154 4.494 4.340 0.000 0.000 0.228 140 L C 2.227 179.083 176.870 -0.023 0.000 1.133 140 L CA 0.299 55.127 54.840 -0.019 0.000 0.880 140 L CB -0.775 41.275 42.059 -0.014 0.000 1.033 140 L HN -0.053 nan 8.230 nan 0.000 0.450 141 A N 0.451 123.253 122.820 -0.031 0.000 1.908 141 A HA -0.153 4.167 4.320 0.000 0.000 0.218 141 A C 2.338 179.899 177.584 -0.038 0.000 1.181 141 A CA 1.801 53.814 52.037 -0.040 0.000 0.627 141 A CB -0.640 18.324 19.000 -0.059 0.000 0.818 141 A HN 0.184 nan 8.150 nan 0.000 0.445 142 V N 1.253 121.145 119.914 -0.036 0.000 2.295 142 V HA -0.330 3.790 4.120 0.000 0.000 0.246 142 V C 2.823 178.901 176.094 -0.026 0.000 1.049 142 V CA 2.261 64.541 62.300 -0.033 0.000 1.024 142 V CB -1.008 30.796 31.823 -0.031 0.000 0.648 142 V HN 0.917 nan 8.190 nan 0.000 0.447 143 Q N -0.562 119.224 119.800 -0.024 0.000 2.291 143 Q HA -0.151 4.189 4.340 0.000 0.000 0.205 143 Q C 1.978 177.968 176.000 -0.017 0.000 0.970 143 Q CA 1.668 57.459 55.803 -0.021 0.000 0.876 143 Q CB -0.299 28.425 28.738 -0.022 0.000 0.935 143 Q HN 0.545 nan 8.270 nan 0.000 0.455 144 M N -0.214 119.378 119.600 -0.014 0.000 2.476 144 M HA 0.125 4.605 4.480 0.000 0.000 0.262 144 M C 1.610 177.909 176.300 -0.002 0.000 1.111 144 M CA 0.797 56.093 55.300 -0.006 0.000 1.127 144 M CB 0.344 32.942 32.600 -0.003 0.000 1.376 144 M HN 0.220 nan 8.290 nan 0.000 0.465 145 I N -0.031 120.533 120.570 -0.010 0.000 3.526 145 I HA 0.038 4.208 4.170 0.000 0.000 0.294 145 I C 1.122 177.236 176.117 -0.004 0.000 1.229 145 I CA -0.147 61.149 61.300 -0.007 0.000 1.408 145 I CB 0.255 38.241 38.000 -0.023 0.000 1.127 145 I HN 0.272 nan 8.210 nan 0.000 0.439 146 M N 2.928 122.522 119.600 -0.011 0.000 2.252 146 M HA 0.160 4.640 4.480 0.000 0.000 0.348 146 M C -1.779 174.518 176.300 -0.006 0.000 1.334 146 M CA -1.006 54.287 55.300 -0.011 0.000 1.071 146 M CB 0.014 32.604 32.600 -0.017 0.000 1.763 146 M HN -0.210 nan 8.290 nan 0.000 0.452 147 P HA -0.087 nan 4.420 nan 0.000 0.233 147 P C 0.188 177.485 177.300 -0.005 0.000 1.167 147 P CA 1.010 64.111 63.100 0.002 0.000 0.770 147 P CB -0.341 31.361 31.700 0.004 0.000 0.837 148 N N -0.056 118.636 118.700 -0.014 0.000 2.461 148 N HA -0.028 4.713 4.740 0.000 0.000 0.188 148 N C 1.759 177.255 175.510 -0.023 0.000 1.134 148 N CA 0.664 53.701 53.050 -0.022 0.000 0.878 148 N CB -1.341 37.128 38.487 -0.031 0.000 0.972 148 N HN 0.063 nan 8.380 nan 0.000 0.456 149 G N 0.911 109.702 108.800 -0.016 0.000 2.418 149 G HA2 -0.179 3.781 3.960 0.000 0.000 0.217 149 G HA3 -0.179 3.781 3.960 0.000 0.000 0.217 149 G C 1.640 176.527 174.900 -0.022 0.000 1.158 149 G CA 1.155 46.245 45.100 -0.018 0.000 0.771 149 G HN 0.524 nan 8.290 nan 0.000 0.545 150 A N 1.223 124.034 122.820 -0.015 0.000 1.855 150 A HA 0.318 4.638 4.320 0.000 0.000 0.215 150 A C 2.847 180.412 177.584 -0.031 0.000 1.191 150 A CA 2.236 54.261 52.037 -0.019 0.000 0.613 150 A CB -0.917 18.080 19.000 -0.005 0.000 0.829 150 A HN 0.812 nan 8.150 nan 0.000 0.442 151 A N -0.095 122.706 122.820 -0.031 0.000 1.940 151 A HA 0.114 4.434 4.320 0.000 0.000 0.219 151 A C 2.489 180.032 177.584 -0.068 0.000 1.176 151 A CA 2.226 54.235 52.037 -0.048 0.000 0.631 151 A CB -1.011 17.962 19.000 -0.045 0.000 0.814 151 A HN 1.072 nan 8.150 nan 0.000 0.446 152 A N -0.614 122.171 122.820 -0.060 0.000 1.877 152 A HA -0.018 4.302 4.320 0.000 0.000 0.216 152 A C 2.241 179.782 177.584 -0.072 0.000 1.186 152 A CA 1.797 53.793 52.037 -0.068 0.000 0.620 152 A CB -0.996 17.973 19.000 -0.052 0.000 0.822 152 A HN 0.397 nan 8.150 nan 0.000 0.443 153 V N 0.226 120.104 119.914 -0.059 0.000 2.287 153 V HA -0.294 3.827 4.120 0.000 0.000 0.248 153 V C 2.438 178.488 176.094 -0.074 0.000 1.053 153 V CA 2.213 64.478 62.300 -0.059 0.000 1.027 153 V CB -0.647 31.148 31.823 -0.048 0.000 0.646 153 V HN 0.584 nan 8.190 nan 0.000 0.447 154 I N 0.393 120.917 120.570 -0.077 0.000 2.252 154 I HA -0.132 4.039 4.170 0.000 0.000 0.245 154 I C 2.610 178.640 176.117 -0.144 0.000 1.102 154 I CA 1.585 62.832 61.300 -0.089 0.000 1.385 154 I CB -0.964 36.998 38.000 -0.064 0.000 1.064 154 I HN 0.402 nan 8.210 nan 0.000 0.414 155 G N 1.071 109.772 108.800 -0.165 0.000 2.442 155 G HA2 -0.262 3.698 3.960 0.000 0.000 0.219 155 G HA3 -0.262 3.698 3.960 0.000 0.000 0.219 155 G C 1.638 176.424 174.900 -0.190 0.000 1.141 155 G CA 0.633 45.593 45.100 -0.232 0.000 0.763 155 G HN 0.234 nan 8.290 nan 0.000 0.554 156 L N 0.293 121.437 121.223 -0.132 0.000 2.072 156 L HA 0.063 4.403 4.340 0.000 0.000 0.205 156 L C 2.816 179.624 176.870 -0.103 0.000 1.079 156 L CA 2.259 57.037 54.840 -0.102 0.000 0.752 156 L CB -0.643 41.370 42.059 -0.076 0.000 0.906 156 L HN 0.422 nan 8.230 nan 0.000 0.436 157 Q N -0.731 119.003 119.800 -0.109 0.000 2.084 157 Q HA -0.184 4.156 4.340 0.000 0.000 0.202 157 Q C 1.879 177.781 176.000 -0.164 0.000 0.978 157 Q CA 1.992 57.728 55.803 -0.112 0.000 0.844 157 Q CB -0.094 28.585 28.738 -0.097 0.000 0.898 157 Q HN 0.593 nan 8.270 nan 0.000 0.426 158 L N -1.154 119.942 121.223 -0.211 0.000 2.554 158 L HA 0.295 4.635 4.340 0.000 0.000 0.225 158 L C 0.928 177.721 176.870 -0.127 0.000 1.104 158 L CA 0.335 54.984 54.840 -0.317 0.000 0.866 158 L CB 0.481 42.296 42.059 -0.407 0.000 1.047 158 L HN 0.478 nan 8.230 nan 0.000 0.468 159 G N 1.333 110.067 108.800 -0.110 0.000 2.303 159 G HA2 -0.171 3.789 3.960 0.000 0.000 0.260 159 G HA3 -0.171 3.789 3.960 0.000 0.000 0.260 159 G C 0.119 174.995 174.900 -0.040 0.000 1.106 159 G CA -0.005 45.069 45.100 -0.043 0.000 0.900 159 G HN 0.421 nan 8.290 nan 0.000 0.495 160 A N 0.121 122.737 122.820 -0.339 0.000 2.302 160 A HA 0.750 5.070 4.320 0.000 0.000 0.295 160 A C 1.114 178.534 177.584 -0.274 0.000 1.235 160 A CA -0.244 51.424 52.037 -0.615 0.000 0.876 160 A CB 0.339 18.665 19.000 -1.125 0.000 1.133 160 A HN 0.522 nan 8.150 nan 0.000 0.533 161 R N 2.331 122.755 120.500 -0.128 0.000 2.472 161 R HA 0.215 4.556 4.340 0.000 0.000 0.279 161 R C 0.794 177.061 176.300 -0.055 0.000 0.953 161 R CA 0.640 56.697 56.100 -0.071 0.000 1.088 161 R CB 0.821 31.109 30.300 -0.021 0.000 1.197 161 R HN 0.677 nan 8.270 nan 0.000 0.536 162 A N 1.062 123.842 122.820 -0.066 0.000 2.610 162 A HA 0.497 4.817 4.320 0.000 0.000 0.286 162 A C 0.331 177.875 177.584 -0.066 0.000 1.306 162 A CA 0.071 52.083 52.037 -0.041 0.000 0.942 162 A CB 0.384 19.384 19.000 -0.001 0.000 1.112 162 A HN 0.287 nan 8.150 nan 0.000 0.527 163 G N -1.342 107.401 108.800 -0.095 0.000 2.841 163 G HA2 0.242 4.202 3.960 0.000 0.000 0.684 163 G HA3 0.242 4.202 3.960 0.000 0.000 0.684 163 G C -1.131 173.694 174.900 -0.124 0.000 1.273 163 G CA -0.384 44.661 45.100 -0.092 0.000 0.811 163 G HN 0.844 nan 8.290 nan 0.000 0.631 164 V N 4.123 123.971 119.914 -0.111 0.000 2.419 164 V HA 0.738 4.858 4.120 0.000 0.000 0.287 164 V C 0.391 176.434 176.094 -0.085 0.000 1.017 164 V CA -0.463 61.767 62.300 -0.115 0.000 0.844 164 V CB 1.534 33.282 31.823 -0.125 0.000 1.011 164 V HN 0.976 nan 8.190 nan 0.000 0.429 165 M N 3.819 123.374 119.600 -0.074 0.000 2.528 165 M HA 0.670 5.151 4.480 0.000 0.000 0.321 165 M C -0.955 175.314 176.300 -0.051 0.000 1.153 165 M CA -0.087 55.171 55.300 -0.070 0.000 0.951 165 M CB 2.462 35.013 32.600 -0.081 0.000 1.705 165 M HN 0.556 nan 8.290 nan 0.000 0.451 166 T N 4.712 119.233 114.554 -0.054 0.000 3.008 166 T HA 0.483 4.833 4.350 0.000 0.000 0.328 166 T C -2.664 172.012 174.700 -0.040 0.000 1.020 166 T CA -0.813 61.268 62.100 -0.032 0.000 1.043 166 T CB 1.021 69.873 68.868 -0.026 0.000 1.010 166 T HN 0.487 nan 8.240 nan 0.000 0.466 167 P HA 0.504 nan 4.420 nan 0.000 0.288 167 P C -0.761 176.535 177.300 -0.007 0.000 1.267 167 P CA -0.624 62.466 63.100 -0.017 0.000 0.815 167 P CB 1.277 33.017 31.700 0.066 0.000 0.989 168 V N 0.038 119.934 119.914 -0.030 0.000 2.444 168 V HA 0.711 4.831 4.120 0.000 0.000 0.294 168 V C 0.179 176.205 176.094 -0.113 0.000 1.022 168 V CA -0.494 61.784 62.300 -0.036 0.000 0.850 168 V CB 1.205 33.018 31.823 -0.016 0.000 0.992 168 V HN 0.653 nan 8.190 nan 0.000 0.426 169 S N 2.725 118.348 115.700 -0.127 0.000 2.828 169 S HA 0.755 5.225 4.470 0.000 0.000 0.240 169 S C 0.581 175.148 174.600 -0.055 0.000 0.912 169 S CA 0.523 58.532 58.200 -0.318 0.000 1.100 169 S CB 0.315 63.289 63.200 -0.377 0.000 1.271 169 S HN 2.646 nan 8.310 nan 0.000 0.476 170 A N 0.866 123.721 122.820 0.058 0.000 5.391 170 A HA -0.338 3.982 4.320 0.000 0.000 0.315 170 A C 1.735 179.406 177.584 0.145 0.000 1.874 170 A CA 1.228 53.375 52.037 0.183 0.000 0.714 170 A CB -2.268 16.949 19.000 0.361 0.000 1.335 170 A HN 1.396 nan 8.150 nan 0.000 0.382 171 C N 0.720 120.118 119.300 0.163 0.000 2.422 171 C HA 0.183 4.643 4.460 0.000 0.000 0.286 171 C C 2.777 177.816 174.990 0.082 0.000 1.412 171 C CA 1.437 60.541 59.018 0.144 0.000 1.786 171 C CB -1.801 26.039 27.740 0.167 0.000 1.835 171 C HN 1.250 nan 8.230 nan 0.000 0.533 172 S N 0.170 115.889 115.700 0.032 0.000 2.575 172 S HA 0.033 4.503 4.470 0.000 0.000 0.215 172 S C 1.380 175.991 174.600 0.019 0.000 0.966 172 S CA 0.487 58.686 58.200 -0.002 0.000 0.911 172 S CB -0.349 62.853 63.200 0.004 0.000 0.780 172 S HN 0.532 nan 8.310 nan 0.000 0.514 173 S N 2.086 117.805 115.700 0.032 0.000 2.382 173 S HA -0.009 4.461 4.470 0.000 0.000 0.228 173 S C 2.080 176.707 174.600 0.045 0.000 1.027 173 S CA 1.373 59.593 58.200 0.033 0.000 0.991 173 S CB -0.915 62.307 63.200 0.036 0.000 0.823 173 S HN 0.759 nan 8.310 nan 0.000 0.469 174 G N 0.800 109.628 108.800 0.047 0.000 2.408 174 G HA2 -0.117 3.843 3.960 0.000 0.000 0.217 174 G HA3 -0.117 3.843 3.960 0.000 0.000 0.217 174 G C 1.561 176.488 174.900 0.046 0.000 1.150 174 G CA 0.922 46.052 45.100 0.049 0.000 0.776 174 G HN 0.512 nan 8.290 nan 0.000 0.542 175 S N -0.107 115.611 115.700 0.030 0.000 2.371 175 S HA -0.049 4.421 4.470 0.000 0.000 0.224 175 S C 2.091 176.695 174.600 0.007 0.000 1.029 175 S CA 1.123 59.334 58.200 0.018 0.000 0.978 175 S CB -0.142 63.050 63.200 -0.013 0.000 0.833 175 S HN 0.583 nan 8.310 nan 0.000 0.466 176 E N 1.086 121.294 120.200 0.013 0.000 2.110 176 E HA -0.157 4.193 4.350 0.000 0.000 0.193 176 E C 2.127 178.770 176.600 0.072 0.000 0.988 176 E CA 0.923 57.329 56.400 0.010 0.000 0.804 176 E CB -0.190 29.547 29.700 0.061 0.000 0.745 176 E HN 0.474 nan 8.360 nan 0.000 0.458 177 A N 1.112 123.995 122.820 0.105 0.000 1.883 177 A HA -0.208 4.112 4.320 0.000 0.000 0.217 177 A C 2.127 179.775 177.584 0.108 0.000 1.186 177 A CA 1.511 53.624 52.037 0.126 0.000 0.624 177 A CB -0.672 18.380 19.000 0.087 0.000 0.822 177 A HN 0.313 nan 8.150 nan 0.000 0.444 178 I N -0.298 120.318 120.570 0.076 0.000 2.286 178 I HA -0.281 3.889 4.170 0.000 0.000 0.248 178 I C 2.967 179.116 176.117 0.053 0.000 1.115 178 I CA 0.959 62.305 61.300 0.077 0.000 1.392 178 I CB -0.414 37.638 38.000 0.086 0.000 1.065 178 I HN 0.369 nan 8.210 nan 0.000 0.418 179 A N 0.448 123.253 122.820 -0.025 0.000 1.883 179 A HA -0.258 4.063 4.320 0.000 0.000 0.217 179 A C 2.235 179.803 177.584 -0.027 0.000 1.186 179 A CA 1.742 53.726 52.037 -0.088 0.000 0.624 179 A CB -0.952 17.912 19.000 -0.228 0.000 0.822 179 A HN 0.422 nan 8.150 nan 0.000 0.444 180 H N -0.581 118.538 119.070 0.083 0.000 2.389 180 H HA 0.029 4.585 4.556 0.001 0.000 0.299 180 H C 2.557 177.915 175.328 0.051 0.000 1.081 180 H CA 1.268 57.352 56.048 0.060 0.000 1.345 180 H CB -0.508 29.270 29.762 0.028 0.000 1.393 180 H HN 0.536 nan 8.280 nan 0.000 0.520 181 A N 0.840 123.763 122.820 0.172 0.000 1.877 181 A HA -0.203 4.117 4.320 0.000 0.000 0.216 181 A C 2.391 180.038 177.584 0.104 0.000 1.186 181 A CA 1.498 53.606 52.037 0.118 0.000 0.620 181 A CB -1.169 17.903 19.000 0.120 0.000 0.822 181 A HN 0.570 nan 8.150 nan 0.000 0.443 182 W N 0.806 122.073 121.300 -0.056 0.000 2.335 182 W HA -0.203 4.457 4.660 -0.001 0.000 0.311 182 W C 2.363 178.805 176.519 -0.128 0.000 1.213 182 W CA 2.104 59.386 57.345 -0.106 0.000 1.274 182 W CB -0.235 29.127 29.460 -0.164 0.000 1.148 182 W HN 0.258 nan 8.180 nan 0.000 0.498 183 R N -0.235 120.212 120.500 -0.088 0.000 2.091 183 R HA -0.267 4.073 4.340 0.000 0.000 0.238 183 R C 2.193 178.340 176.300 -0.256 0.000 1.136 183 R CA 2.016 57.943 56.100 -0.288 0.000 0.959 183 R CB -0.855 29.433 30.300 -0.021 0.000 0.856 183 R HN 0.237 nan 8.270 nan 0.000 0.437 184 Q N 0.937 120.669 119.800 -0.114 0.000 2.124 184 Q HA -0.110 4.231 4.340 0.000 0.000 0.202 184 Q C 1.820 177.743 176.000 -0.129 0.000 0.977 184 Q CA 1.543 57.295 55.803 -0.083 0.000 0.850 184 Q CB -0.036 28.687 28.738 -0.026 0.000 0.901 184 Q HN 0.380 nan 8.270 nan 0.000 0.429 185 I N -0.402 120.060 120.570 -0.180 0.000 2.193 185 I HA -0.186 3.985 4.170 0.000 0.000 0.240 185 I C 2.152 178.111 176.117 -0.264 0.000 1.084 185 I CA 1.130 62.318 61.300 -0.187 0.000 1.365 185 I CB -0.491 37.415 38.000 -0.158 0.000 1.064 185 I HN 0.228 nan 8.210 nan 0.000 0.410 186 V N -1.574 118.037 119.914 -0.505 0.000 2.626 186 V HA -0.167 3.953 4.120 0.000 0.000 0.252 186 V C 2.078 178.022 176.094 -0.250 0.000 1.067 186 V CA 1.399 63.401 62.300 -0.496 0.000 1.081 186 V CB -0.648 30.531 31.823 -1.074 0.000 0.686 186 V HN 0.365 nan 8.190 nan 0.000 0.468 187 M N 0.649 120.107 119.600 -0.237 0.000 2.595 187 M HA 0.301 4.781 4.480 0.000 0.000 0.248 187 M C 1.640 177.902 176.300 -0.064 0.000 1.119 187 M CA 1.074 56.310 55.300 -0.106 0.000 1.079 187 M CB 0.107 32.651 32.600 -0.093 0.000 1.472 187 M HN 0.705 nan 8.290 nan 0.000 0.501 188 G N 0.754 109.509 108.800 -0.074 0.000 2.141 188 G HA2 -0.237 3.723 3.960 0.000 0.000 0.231 188 G HA3 -0.237 3.723 3.960 0.000 0.000 0.231 188 G C 0.137 175.019 174.900 -0.030 0.000 0.984 188 G CA 0.406 45.482 45.100 -0.040 0.000 0.660 188 G HN 0.463 nan 8.290 nan 0.000 0.525 189 D N 0.296 120.672 120.400 -0.041 0.000 2.323 189 D HA 0.516 5.157 4.640 0.000 0.000 0.209 189 D C 1.302 177.592 176.300 -0.016 0.000 0.973 189 D CA 1.622 55.607 54.000 -0.026 0.000 0.874 189 D CB 0.353 41.134 40.800 -0.031 0.000 0.930 189 D HN 0.990 nan 8.370 nan 0.000 0.521 190 A N -0.373 122.434 122.820 -0.022 0.000 2.606 190 A HA 0.479 4.799 4.320 0.000 0.000 0.293 190 A C -0.794 176.776 177.584 -0.024 0.000 1.082 190 A CA -0.687 51.347 52.037 -0.004 0.000 0.685 190 A CB 1.302 20.308 19.000 0.010 0.000 1.284 190 A HN -0.151 nan 8.150 nan 0.000 0.408 191 D N -0.559 119.821 120.400 -0.033 0.000 2.449 191 D HA 0.281 4.921 4.640 0.000 0.000 0.210 191 D C -0.237 175.935 176.300 -0.213 0.000 1.094 191 D CA 0.849 54.789 54.000 -0.100 0.000 0.846 191 D CB 1.520 42.268 40.800 -0.086 0.000 1.003 191 D HN 0.422 nan 8.370 nan 0.000 0.504 192 V N -0.011 119.825 119.914 -0.129 0.000 2.932 192 V HA 0.763 4.884 4.120 0.000 0.000 0.307 192 V C -1.927 174.283 176.094 0.193 0.000 1.147 192 V CA -0.645 61.601 62.300 -0.091 0.000 0.951 192 V CB 1.977 33.613 31.823 -0.311 0.000 1.031 192 V HN 0.052 nan 8.190 nan 0.000 0.426 193 A N 5.017 127.966 122.820 0.215 0.000 2.488 193 A HA 0.829 5.149 4.320 0.000 0.000 0.298 193 A C -1.432 176.337 177.584 0.309 0.000 1.044 193 A CA -0.485 51.722 52.037 0.284 0.000 0.693 193 A CB 2.064 21.150 19.000 0.144 0.000 1.272 193 A HN 1.160 nan 8.150 nan 0.000 0.402 194 V N 1.502 121.633 119.914 0.362 0.000 2.439 194 V HA 0.553 4.674 4.120 0.000 0.000 0.282 194 V C 0.123 176.306 176.094 0.149 0.000 1.039 194 V CA -0.048 62.418 62.300 0.277 0.000 0.913 194 V CB 0.576 32.588 31.823 0.315 0.000 0.983 194 V HN 1.409 nan 8.190 nan 0.000 0.460 195 C N 2.622 121.999 119.300 0.129 0.000 3.086 195 C HA 1.077 5.538 4.460 0.000 0.000 0.311 195 C C 0.224 175.266 174.990 0.087 0.000 1.260 195 C CA -0.017 59.060 59.018 0.097 0.000 1.426 195 C CB 1.013 28.817 27.740 0.105 0.000 1.826 195 C HN 1.407 nan 8.230 nan 0.000 0.474 196 G N 0.279 109.122 108.800 0.072 0.000 2.441 196 G HA2 0.679 4.640 3.960 0.000 0.000 0.222 196 G HA3 0.679 4.640 3.960 0.000 0.000 0.222 196 G C -0.601 174.331 174.900 0.055 0.000 1.254 196 G CA 0.353 45.492 45.100 0.064 0.000 0.959 196 G HN 2.300 nan 8.290 nan 0.000 0.474 197 G N -1.283 107.547 108.800 0.050 0.000 2.718 197 G HA2 0.877 4.837 3.960 0.000 0.000 0.295 197 G HA3 0.877 4.837 3.960 0.000 0.000 0.295 197 G C -0.861 174.070 174.900 0.051 0.000 1.421 197 G CA 0.516 45.646 45.100 0.049 0.000 0.902 197 G HN 1.966 nan 8.290 nan 0.000 0.501 198 V N -1.834 118.112 119.914 0.053 0.000 3.102 198 V HA 1.017 5.137 4.120 0.000 0.000 0.312 198 V C -0.912 175.233 176.094 0.084 0.000 1.135 198 V CA -1.161 61.178 62.300 0.065 0.000 1.022 198 V CB 1.989 33.840 31.823 0.047 0.000 1.056 198 V HN 1.012 nan 8.190 nan 0.000 0.436 199 E N 0.577 120.849 120.200 0.119 0.000 2.390 199 E HA 0.661 5.011 4.350 0.000 0.000 0.280 199 E C -0.063 176.644 176.600 0.178 0.000 0.992 199 E CA 0.254 56.723 56.400 0.113 0.000 0.790 199 E CB 1.782 31.527 29.700 0.074 0.000 1.248 199 E HN 1.299 nan 8.360 nan 0.000 0.447 200 G N 2.200 111.056 108.800 0.093 0.000 2.684 200 G HA2 0.423 4.383 3.960 0.000 0.000 0.255 200 G HA3 0.423 4.383 3.960 0.000 0.000 0.255 200 G C -2.094 172.698 174.900 -0.180 0.000 1.219 200 G CA -0.756 44.306 45.100 -0.064 0.000 0.901 200 G HN 0.496 nan 8.290 nan 0.000 0.548 201 P HA 0.280 nan 4.420 nan 0.000 0.277 201 P C -0.073 177.133 177.300 -0.157 0.000 1.271 201 P CA -0.594 62.384 63.100 -0.203 0.000 0.795 201 P CB 1.025 32.578 31.700 -0.246 0.000 1.101 202 I N 0.515 121.053 120.570 -0.054 0.000 2.598 202 I HA 0.046 4.216 4.170 0.000 0.000 0.284 202 I C 1.084 177.202 176.117 0.001 0.000 1.140 202 I CA 0.927 62.156 61.300 -0.119 0.000 1.420 202 I CB -0.179 37.782 38.000 -0.066 0.000 1.387 202 I HN 0.317 nan 8.210 nan 0.000 0.553 203 E N 3.178 123.253 120.200 -0.207 0.000 2.416 203 E HA 0.516 4.867 4.350 0.000 0.000 0.273 203 E C 0.293 176.509 176.600 -0.640 0.000 0.935 203 E CA -0.642 55.508 56.400 -0.417 0.000 0.784 203 E CB 1.786 31.317 29.700 -0.283 0.000 1.301 203 E HN 0.586 nan 8.360 nan 0.000 0.454 204 A N 1.031 123.218 122.820 -1.055 0.000 1.902 204 A HA -0.170 4.150 4.320 0.000 0.000 0.217 204 A C 1.863 179.272 177.584 -0.291 0.000 1.181 204 A CA 1.454 53.080 52.037 -0.685 0.000 0.623 204 A CB -0.439 18.263 19.000 -0.496 0.000 0.818 204 A HN 0.508 nan 8.150 nan 0.000 0.443 205 L N 0.454 121.523 121.223 -0.256 0.000 2.027 205 L HA 0.006 4.346 4.340 0.000 0.000 0.206 205 L C -0.786 176.031 176.870 -0.089 0.000 1.074 205 L CA 2.215 56.948 54.840 -0.178 0.000 0.745 205 L CB -1.395 40.568 42.059 -0.160 0.000 0.898 205 L HN 0.141 nan 8.230 nan 0.000 0.433 206 P HA -0.156 nan 4.420 nan 0.000 0.216 206 P C 2.094 179.642 177.300 0.414 0.000 1.150 206 P CA 1.724 64.932 63.100 0.180 0.000 0.837 206 P CB -0.034 31.713 31.700 0.079 0.000 0.786 207 I N -0.677 120.075 120.570 0.303 0.000 2.179 207 I HA -0.259 3.911 4.170 0.000 0.000 0.242 207 I C 2.354 178.568 176.117 0.161 0.000 1.088 207 I CA 1.526 63.034 61.300 0.346 0.000 1.357 207 I CB -0.842 37.313 38.000 0.258 0.000 1.051 207 I HN -0.084 nan 8.210 nan 0.000 0.409 208 A N 0.749 123.591 122.820 0.036 0.000 1.883 208 A HA -0.197 4.123 4.320 0.000 0.000 0.217 208 A C 2.531 180.076 177.584 -0.065 0.000 1.186 208 A CA 2.023 54.033 52.037 -0.045 0.000 0.624 208 A CB -0.891 18.022 19.000 -0.146 0.000 0.822 208 A HN 0.445 nan 8.150 nan 0.000 0.444 209 A N -1.393 121.369 122.820 -0.097 0.000 1.898 209 A HA 0.046 4.366 4.320 0.000 0.000 0.216 209 A C 1.935 179.346 177.584 -0.289 0.000 1.181 209 A CA 1.542 53.438 52.037 -0.235 0.000 0.620 209 A CB -0.663 18.126 19.000 -0.353 0.000 0.819 209 A HN 0.460 nan 8.150 nan 0.000 0.442 210 F N 0.174 120.117 119.950 -0.012 0.000 2.293 210 F HA -0.016 4.511 4.527 0.000 0.000 0.297 210 F C 2.757 178.485 175.800 -0.120 0.000 1.089 210 F CA 1.204 59.177 58.000 -0.046 0.000 1.377 210 F CB -0.418 38.608 39.000 0.042 0.000 1.051 210 F HN 0.103 nan 8.300 nan 0.000 0.511 211 S N 0.665 116.391 115.700 0.043 0.000 2.370 211 S HA -0.226 4.245 4.470 0.000 0.000 0.226 211 S C 2.060 176.641 174.600 -0.032 0.000 1.033 211 S CA 1.709 59.891 58.200 -0.029 0.000 1.011 211 S CB -0.514 62.678 63.200 -0.015 0.000 0.852 211 S HN 0.516 nan 8.310 nan 0.000 0.457 212 M N -0.475 119.099 119.600 -0.043 0.000 2.630 212 M HA 0.173 4.653 4.480 0.000 0.000 0.254 212 M C 1.405 177.679 176.300 -0.042 0.000 1.092 212 M CA 1.252 56.523 55.300 -0.050 0.000 1.087 212 M CB -0.612 31.945 32.600 -0.071 0.000 1.453 212 M HN 0.149 nan 8.290 nan 0.000 0.509 213 M N 0.062 119.643 119.600 -0.033 0.000 2.561 213 M HA 0.214 4.695 4.480 0.000 0.000 0.238 213 M C 0.442 176.755 176.300 0.021 0.000 1.131 213 M CA 0.271 55.570 55.300 -0.001 0.000 1.046 213 M CB 0.056 32.667 32.600 0.020 0.000 1.532 213 M HN 0.370 nan 8.290 nan 0.000 0.497 214 R N -0.096 120.402 120.500 -0.003 0.000 3.651 214 R HA -0.204 4.137 4.340 0.000 0.000 0.292 214 R C 0.483 176.773 176.300 -0.017 0.000 1.161 214 R CA 0.350 56.441 56.100 -0.015 0.000 0.787 214 R CB -1.512 28.786 30.300 -0.003 0.000 1.249 214 R HN 0.530 nan 8.270 nan 0.000 0.476 215 A N -0.289 122.515 122.820 -0.028 0.000 2.195 215 A HA 0.273 4.593 4.320 0.000 0.000 0.210 215 A C 0.811 178.190 177.584 -0.342 0.000 1.165 215 A CA 0.316 52.341 52.037 -0.020 0.000 0.806 215 A CB 0.354 19.485 19.000 0.217 0.000 0.847 215 A HN 0.265 nan 8.150 nan 0.000 0.482 216 M N -0.100 119.247 119.600 -0.422 0.000 2.528 216 M HA 0.334 4.814 4.480 0.000 0.000 0.321 216 M C 0.051 176.171 176.300 -0.301 0.000 1.153 216 M CA -0.432 54.501 55.300 -0.611 0.000 0.951 216 M CB 1.970 34.184 32.600 -0.644 0.000 1.705 216 M HN 0.109 nan 8.290 nan 0.000 0.451 217 S N 0.659 116.206 115.700 -0.255 0.000 2.564 217 S HA 0.208 4.678 4.470 0.000 0.000 0.278 217 S C 0.710 175.250 174.600 -0.099 0.000 1.333 217 S CA -0.177 57.945 58.200 -0.131 0.000 1.048 217 S CB 0.356 63.501 63.200 -0.091 0.000 0.900 217 S HN 0.809 nan 8.310 nan 0.000 0.505 218 T N 1.781 116.299 114.554 -0.060 0.000 3.296 218 T HA 0.290 4.640 4.350 0.000 0.000 0.285 218 T C 0.453 175.143 174.700 -0.017 0.000 1.014 218 T CA -0.490 61.590 62.100 -0.033 0.000 0.920 218 T CB -0.218 68.635 68.868 -0.026 0.000 1.143 218 T HN 0.609 nan 8.240 nan 0.000 0.522 219 R N 1.867 122.356 120.500 -0.018 0.000 4.154 219 R HA 0.172 4.513 4.340 0.000 0.000 0.186 219 R C 0.238 176.539 176.300 0.002 0.000 1.750 219 R CA -0.219 55.876 56.100 -0.007 0.000 1.431 219 R CB -0.420 29.875 30.300 -0.009 0.000 1.383 219 R HN 0.233 nan 8.270 nan 0.000 0.788 220 N N 0.902 119.607 118.700 0.007 0.000 2.459 220 N HA -0.107 4.633 4.740 0.000 0.000 0.181 220 N C 0.209 175.731 175.510 0.021 0.000 1.046 220 N CA 0.776 53.836 53.050 0.017 0.000 0.904 220 N CB 0.285 38.785 38.487 0.021 0.000 0.964 220 N HN 0.473 nan 8.380 nan 0.000 0.444 221 D N 0.728 121.138 120.400 0.017 0.000 2.323 221 D HA 0.005 4.645 4.640 0.000 0.000 0.209 221 D C -0.079 176.234 176.300 0.021 0.000 0.973 221 D CA 0.714 54.725 54.000 0.018 0.000 0.874 221 D CB 0.254 41.062 40.800 0.014 0.000 0.930 221 D HN 0.352 nan 8.370 nan 0.000 0.521 222 E N 0.065 120.277 120.200 0.020 0.000 3.386 222 E HA 0.137 4.487 4.350 0.000 0.000 0.236 222 E C -1.994 174.621 176.600 0.024 0.000 1.227 222 E CA -1.367 55.047 56.400 0.023 0.000 0.970 222 E CB 1.895 31.605 29.700 0.018 0.000 1.343 222 E HN -0.073 nan 8.360 nan 0.000 0.397 223 P HA -0.217 nan 4.420 nan 0.000 0.216 223 P C 0.792 178.096 177.300 0.007 0.000 1.153 223 P CA 1.306 64.421 63.100 0.025 0.000 0.858 223 P CB 0.344 32.075 31.700 0.051 0.000 0.789 224 E N -1.010 119.202 120.200 0.020 0.000 2.338 224 E HA -0.092 4.259 4.350 0.000 0.000 0.197 224 E C 1.716 178.321 176.600 0.009 0.000 1.007 224 E CA 0.743 57.147 56.400 0.007 0.000 0.849 224 E CB -0.412 29.308 29.700 0.033 0.000 0.774 224 E HN 0.263 nan 8.360 nan 0.000 0.506 225 R N -0.279 120.229 120.500 0.013 0.000 2.334 225 R HA 0.296 4.636 4.340 0.000 0.000 0.216 225 R C 1.697 178.000 176.300 0.006 0.000 0.905 225 R CA 0.486 56.594 56.100 0.013 0.000 1.064 225 R CB 0.396 30.705 30.300 0.015 0.000 1.046 225 R HN 0.090 nan 8.270 nan 0.000 0.508 226 A N 0.885 123.704 122.820 -0.002 0.000 1.897 226 A HA -0.030 4.290 4.320 0.000 0.000 0.215 226 A C 1.335 178.910 177.584 -0.016 0.000 1.181 226 A CA 0.768 52.798 52.037 -0.011 0.000 0.620 226 A CB 0.042 19.033 19.000 -0.015 0.000 0.821 226 A HN 0.157 nan 8.150 nan 0.000 0.443 227 S N 0.522 116.212 115.700 -0.015 0.000 2.400 227 S HA 0.411 4.881 4.470 0.000 0.000 0.295 227 S C -0.027 174.563 174.600 -0.017 0.000 1.113 227 S CA -0.577 57.609 58.200 -0.024 0.000 1.064 227 S CB -0.287 62.895 63.200 -0.029 0.000 0.990 227 S HN 0.393 nan 8.310 nan 0.000 0.502 228 R N 4.632 125.121 120.500 -0.019 0.000 2.748 228 R HA 0.274 4.614 4.340 0.000 0.000 0.283 228 R C -2.917 173.384 176.300 0.002 0.000 1.507 228 R CA -1.776 54.335 56.100 0.018 0.000 1.666 228 R CB 0.846 31.163 30.300 0.029 0.000 1.237 228 R HN 0.399 nan 8.270 nan 0.000 0.633 229 P HA 0.006 nan 4.420 nan 0.000 0.264 229 P C -0.148 177.126 177.300 -0.045 0.000 1.193 229 P CA 0.179 63.129 63.100 -0.250 0.000 0.763 229 P CB 0.172 31.648 31.700 -0.374 0.000 0.810 230 F N -0.924 119.072 119.950 0.077 0.000 2.748 230 F HA -0.249 4.278 4.527 0.002 0.000 0.370 230 F C 0.696 176.668 175.800 0.287 0.000 0.620 230 F CA 1.017 59.107 58.000 0.149 0.000 1.233 230 F CB -2.377 36.666 39.000 0.072 0.000 1.708 230 F HN 0.276 nan 8.300 nan 0.000 0.298 231 D N 0.737 121.343 120.400 0.342 0.000 2.345 231 D HA 0.217 4.857 4.640 0.000 0.000 0.247 231 D C 1.212 177.561 176.300 0.081 0.000 1.108 231 D CA 0.017 54.119 54.000 0.169 0.000 0.894 231 D CB 0.980 41.837 40.800 0.095 0.000 1.203 231 D HN 0.170 nan 8.370 nan 0.000 0.430 232 K N 1.560 121.971 120.400 0.019 0.000 2.113 232 K HA -0.173 4.147 4.320 0.000 0.000 0.208 232 K C 0.082 176.688 176.600 0.010 0.000 1.047 232 K CA 1.405 57.700 56.287 0.014 0.000 0.928 232 K CB 0.147 32.639 32.500 -0.014 0.000 0.716 232 K HN 0.504 nan 8.250 nan 0.000 0.446 233 D N 0.680 121.080 120.400 0.000 0.000 2.388 233 D HA -0.011 4.629 4.640 0.000 0.000 0.221 233 D C -0.154 176.146 176.300 -0.000 0.000 1.133 233 D CA -0.010 53.989 54.000 -0.003 0.000 0.831 233 D CB 0.093 40.887 40.800 -0.010 0.000 0.962 233 D HN 0.350 nan 8.370 nan 0.000 0.502 234 R N 1.512 122.016 120.500 0.006 0.000 2.679 234 R HA 0.086 4.426 4.340 0.000 0.000 0.268 234 R C 0.001 176.293 176.300 -0.013 0.000 1.044 234 R CA 0.323 56.420 56.100 -0.005 0.000 1.105 234 R CB 0.368 30.661 30.300 -0.012 0.000 0.989 234 R HN -0.166 nan 8.270 nan 0.000 0.447 235 D N 0.515 120.901 120.400 -0.024 0.000 2.785 235 D HA 0.224 4.865 4.640 0.000 0.000 0.324 235 D C 0.198 176.466 176.300 -0.053 0.000 1.523 235 D CA 0.114 54.096 54.000 -0.030 0.000 0.789 235 D CB 0.362 41.145 40.800 -0.029 0.000 1.171 235 D HN 0.914 nan 8.370 nan 0.000 0.447 236 G N 0.423 109.193 108.800 -0.050 0.000 2.384 236 G HA2 0.187 4.147 3.960 0.000 0.000 0.668 236 G HA3 0.187 4.147 3.960 0.000 0.000 0.668 236 G C -0.601 174.265 174.900 -0.057 0.000 1.280 236 G CA -0.632 44.426 45.100 -0.070 0.000 0.992 236 G HN 0.361 nan 8.290 nan 0.000 0.512 237 F N -0.632 119.248 119.950 -0.116 0.000 2.370 237 F HA 0.855 5.383 4.527 0.001 0.000 0.319 237 F C 0.198 175.885 175.800 -0.188 0.000 1.129 237 F CA -1.388 56.517 58.000 -0.158 0.000 1.109 237 F CB 1.294 40.206 39.000 -0.146 0.000 1.262 237 F HN 0.480 nan 8.300 nan 0.000 0.534 238 V N 2.382 122.392 119.914 0.160 0.000 2.604 238 V HA 0.314 4.434 4.120 0.000 0.000 0.305 238 V C -0.663 175.557 176.094 0.209 0.000 1.043 238 V CA -0.786 61.556 62.300 0.069 0.000 0.888 238 V CB 1.462 33.302 31.823 0.028 0.000 0.995 238 V HN 0.650 nan 8.190 nan 0.000 0.429 239 F N 2.407 122.487 119.950 0.217 0.000 2.443 239 F HA 0.634 5.161 4.527 0.000 0.000 0.353 239 F C 1.000 176.828 175.800 0.047 0.000 1.101 239 F CA -0.102 57.984 58.000 0.143 0.000 1.226 239 F CB 1.216 40.275 39.000 0.099 0.000 1.140 239 F HN 0.560 nan 8.300 nan 0.000 0.557 240 G N 3.276 112.234 108.800 0.263 0.000 2.732 240 G HA2 0.430 4.390 3.960 0.000 0.000 0.295 240 G HA3 0.430 4.390 3.960 0.000 0.000 0.295 240 G C -1.274 173.697 174.900 0.118 0.000 1.456 240 G CA -0.747 44.431 45.100 0.129 0.000 1.050 240 G HN 0.524 nan 8.290 nan 0.000 0.525 241 E N 0.119 120.375 120.200 0.093 0.000 2.383 241 E HA 0.534 4.884 4.350 0.000 0.000 0.264 241 E C 0.293 176.957 176.600 0.107 0.000 1.050 241 E CA 0.303 56.763 56.400 0.099 0.000 0.896 241 E CB 1.476 31.253 29.700 0.128 0.000 0.982 241 E HN 0.768 nan 8.360 nan 0.000 0.424 242 A N 1.317 124.202 122.820 0.107 0.000 2.586 242 A HA 0.748 5.068 4.320 0.000 0.000 0.291 242 A C -0.927 176.714 177.584 0.096 0.000 1.062 242 A CA -0.169 51.926 52.037 0.096 0.000 0.666 242 A CB 1.972 21.019 19.000 0.079 0.000 1.281 242 A HN 0.603 nan 8.150 nan 0.000 0.421 243 G N -0.926 107.920 108.800 0.077 0.000 2.706 243 G HA2 0.916 4.876 3.960 0.000 0.000 0.297 243 G HA3 0.916 4.876 3.960 0.000 0.000 0.297 243 G C -0.857 174.070 174.900 0.045 0.000 1.403 243 G CA 0.267 45.403 45.100 0.061 0.000 0.954 243 G HN 2.150 nan 8.290 nan 0.000 0.500 244 A N 1.009 123.854 122.820 0.041 0.000 2.547 244 A HA 0.840 5.161 4.320 0.000 0.000 0.297 244 A C -1.362 176.245 177.584 0.039 0.000 1.056 244 A CA -0.489 51.568 52.037 0.034 0.000 0.688 244 A CB 1.247 20.263 19.000 0.027 0.000 1.282 244 A HN 0.868 nan 8.150 nan 0.000 0.400 245 L N 2.144 123.391 121.223 0.040 0.000 2.409 245 L HA 0.804 5.144 4.340 0.000 0.000 0.262 245 L C -0.305 176.599 176.870 0.057 0.000 0.992 245 L CA -0.676 54.199 54.840 0.058 0.000 0.817 245 L CB 2.386 44.487 42.059 0.071 0.000 1.350 245 L HN 0.977 nan 8.230 nan 0.000 0.411 246 M N 1.616 121.261 119.600 0.075 0.000 2.619 246 M HA 0.669 5.149 4.480 0.000 0.000 0.297 246 M C -1.706 174.657 176.300 0.105 0.000 1.229 246 M CA -0.861 54.483 55.300 0.072 0.000 0.860 246 M CB 2.641 35.282 32.600 0.068 0.000 1.741 246 M HN 0.355 nan 8.290 nan 0.000 0.462 247 L N 4.147 125.421 121.223 0.085 0.000 2.272 247 L HA 0.723 5.063 4.340 0.000 0.000 0.289 247 L C -0.960 175.952 176.870 0.069 0.000 1.032 247 L CA -0.571 54.326 54.840 0.096 0.000 0.810 247 L CB 1.190 43.275 42.059 0.042 0.000 1.205 247 L HN 0.814 nan 8.230 nan 0.000 0.422 248 I N 2.372 122.997 120.570 0.091 0.000 2.740 248 I HA 0.846 5.017 4.170 0.000 0.000 0.303 248 I C -1.057 175.085 176.117 0.041 0.000 1.044 248 I CA -0.424 60.923 61.300 0.078 0.000 1.064 248 I CB 2.178 40.248 38.000 0.117 0.000 1.249 248 I HN 0.808 nan 8.210 nan 0.000 0.433 249 E N 2.282 122.494 120.200 0.021 0.000 2.416 249 E HA 0.306 4.656 4.350 0.000 0.000 0.280 249 E C -1.116 175.493 176.600 0.015 0.000 1.055 249 E CA -0.951 55.429 56.400 -0.033 0.000 0.825 249 E CB 1.461 31.108 29.700 -0.088 0.000 1.312 249 E HN 0.765 nan 8.360 nan 0.000 0.452 250 T N -1.736 112.825 114.554 0.012 0.000 2.903 250 T HA 0.005 4.355 4.350 0.000 0.000 0.314 250 T C 0.980 175.734 174.700 0.089 0.000 1.078 250 T CA 0.309 62.445 62.100 0.059 0.000 1.114 250 T CB 1.247 70.153 68.868 0.063 0.000 0.987 250 T HN 0.727 nan 8.240 nan 0.000 0.548 251 E N 0.506 120.761 120.200 0.092 0.000 2.110 251 E HA -0.218 4.132 4.350 0.000 0.000 0.193 251 E C 2.004 178.656 176.600 0.086 0.000 0.988 251 E CA 1.386 57.842 56.400 0.092 0.000 0.804 251 E CB -0.054 29.724 29.700 0.129 0.000 0.745 251 E HN 0.920 nan 8.360 nan 0.000 0.458 252 E N -0.136 120.118 120.200 0.090 0.000 2.058 252 E HA -0.281 4.069 4.350 0.000 0.000 0.194 252 E C 2.190 178.833 176.600 0.071 0.000 0.997 252 E CA 1.240 57.684 56.400 0.073 0.000 0.801 252 E CB -0.248 29.495 29.700 0.072 0.000 0.746 252 E HN 0.396 nan 8.360 nan 0.000 0.450 253 H N -0.034 119.039 119.070 0.005 0.000 2.353 253 H HA -0.062 4.494 4.556 0.000 0.000 0.300 253 H C 1.857 177.167 175.328 -0.030 0.000 1.090 253 H CA 1.676 57.718 56.048 -0.010 0.000 1.327 253 H CB -0.014 29.743 29.762 -0.008 0.000 1.383 253 H HN 0.304 nan 8.280 nan 0.000 0.508 254 A N 1.036 123.924 122.820 0.113 0.000 1.877 254 A HA -0.184 4.136 4.320 0.000 0.000 0.216 254 A C 2.486 180.050 177.584 -0.033 0.000 1.186 254 A CA 1.864 53.915 52.037 0.022 0.000 0.620 254 A CB -0.454 18.538 19.000 -0.013 0.000 0.822 254 A HN 0.358 nan 8.150 nan 0.000 0.443 255 K N -0.193 120.201 120.400 -0.009 0.000 2.032 255 K HA -0.050 4.270 4.320 0.000 0.000 0.209 255 K C 2.060 178.636 176.600 -0.039 0.000 1.048 255 K CA 1.476 57.759 56.287 -0.007 0.000 0.927 255 K CB -0.429 32.086 32.500 0.024 0.000 0.712 255 K HN 0.375 nan 8.250 nan 0.000 0.441 256 A N 1.181 123.960 122.820 -0.068 0.000 2.019 256 A HA -0.183 4.137 4.320 0.000 0.000 0.219 256 A C 1.834 179.344 177.584 -0.124 0.000 1.164 256 A CA 1.836 53.813 52.037 -0.099 0.000 0.644 256 A CB -0.525 18.395 19.000 -0.133 0.000 0.805 256 A HN 0.503 nan 8.150 nan 0.000 0.449 257 R N -1.604 118.805 120.500 -0.152 0.000 2.393 257 R HA 0.374 4.714 4.340 0.000 0.000 0.244 257 R C 0.945 177.185 176.300 -0.100 0.000 0.920 257 R CA 0.646 56.662 56.100 -0.140 0.000 1.076 257 R CB -0.531 29.656 30.300 -0.189 0.000 1.119 257 R HN 0.706 nan 8.270 nan 0.000 0.524 258 G N 0.559 109.313 108.800 -0.076 0.000 2.198 258 G HA2 -0.325 3.636 3.960 0.000 0.000 0.260 258 G HA3 -0.325 3.636 3.960 0.000 0.000 0.260 258 G C 0.166 175.026 174.900 -0.066 0.000 1.025 258 G CA 0.169 45.234 45.100 -0.058 0.000 0.769 258 G HN 0.682 nan 8.290 nan 0.000 0.507 259 A N -0.194 122.578 122.820 -0.080 0.000 2.328 259 A HA 0.674 4.994 4.320 0.000 0.000 0.284 259 A C 0.549 178.074 177.584 -0.099 0.000 1.160 259 A CA 0.169 52.149 52.037 -0.095 0.000 0.818 259 A CB 0.579 19.515 19.000 -0.107 0.000 1.087 259 A HN 0.590 nan 8.150 nan 0.000 0.504 260 K N 3.757 124.097 120.400 -0.100 0.000 2.285 260 K HA 0.394 4.714 4.320 0.000 0.000 0.286 260 K C -2.592 173.880 176.600 -0.213 0.000 1.072 260 K CA -1.697 54.520 56.287 -0.117 0.000 0.913 260 K CB 0.434 32.904 32.500 -0.051 0.000 1.067 260 K HN 0.384 nan 8.250 nan 0.000 0.479 261 P HA -0.023 nan 4.420 nan 0.000 0.268 261 P C -0.034 177.075 177.300 -0.318 0.000 1.205 261 P CA 0.002 62.793 63.100 -0.514 0.000 0.771 261 P CB 0.634 31.683 31.700 -1.086 0.000 0.858 262 L N 0.840 121.960 121.223 -0.171 0.000 2.354 262 L HA 0.375 4.716 4.340 0.000 0.000 0.212 262 L C 1.033 177.891 176.870 -0.019 0.000 1.091 262 L CA 0.555 55.346 54.840 -0.082 0.000 0.828 262 L CB -0.177 41.825 42.059 -0.095 0.000 0.973 262 L HN 0.455 nan 8.230 nan 0.000 0.461 263 A N -0.410 122.414 122.820 0.007 0.000 2.515 263 A HA 0.644 4.964 4.320 0.000 0.000 0.292 263 A C -1.274 176.409 177.584 0.164 0.000 1.065 263 A CA -0.767 51.342 52.037 0.121 0.000 0.641 263 A CB 0.925 19.987 19.000 0.104 0.000 1.306 263 A HN 0.020 nan 8.150 nan 0.000 0.441 264 R N -0.363 120.283 120.500 0.243 0.000 2.460 264 R HA 0.590 4.930 4.340 0.000 0.000 0.303 264 R C -1.237 175.186 176.300 0.204 0.000 0.968 264 R CA -0.712 55.523 56.100 0.225 0.000 0.889 264 R CB 1.740 32.180 30.300 0.234 0.000 1.123 264 R HN 0.516 nan 8.270 nan 0.000 0.455 265 L N 4.628 125.900 121.223 0.082 0.000 2.262 265 L HA 0.262 4.603 4.340 0.000 0.000 0.288 265 L C -0.123 176.620 176.870 -0.211 0.000 1.035 265 L CA 0.267 54.956 54.840 -0.253 0.000 0.820 265 L CB 0.864 42.786 42.059 -0.227 0.000 1.204 265 L HN 0.763 nan 8.230 nan 0.000 0.424 266 L N 4.344 125.362 121.223 -0.343 0.000 2.470 266 L HA 0.550 4.890 4.340 0.000 0.000 0.219 266 L C 0.959 177.568 176.870 -0.436 0.000 1.071 266 L CA 0.422 55.160 54.840 -0.170 0.000 0.850 266 L CB 0.040 42.069 42.059 -0.049 0.000 1.040 266 L HN 0.779 nan 8.230 nan 0.000 0.475 267 G N -0.526 107.712 108.800 -0.937 0.000 2.489 267 G HA2 0.648 4.609 3.960 0.000 0.000 0.291 267 G HA3 0.648 4.609 3.960 0.000 0.000 0.291 267 G C -2.183 172.055 174.900 -1.104 0.000 1.487 267 G CA 0.117 44.466 45.100 -1.253 0.000 0.795 267 G HN 0.039 nan 8.290 nan 0.000 0.513 268 A N -0.952 121.305 122.820 -0.939 0.000 2.520 268 A HA 0.960 5.280 4.320 0.000 0.000 0.298 268 A C -0.174 177.246 177.584 -0.274 0.000 1.051 268 A CA -0.007 51.716 52.037 -0.522 0.000 0.690 268 A CB 1.942 20.670 19.000 -0.453 0.000 1.281 268 A HN 2.142 nan 8.150 nan 0.000 0.402 269 G N 0.533 109.229 108.800 -0.173 0.000 2.590 269 G HA2 0.620 4.580 3.960 0.000 0.000 0.310 269 G HA3 0.620 4.580 3.960 0.000 0.000 0.310 269 G C -1.133 173.736 174.900 -0.052 0.000 1.347 269 G CA -0.415 44.634 45.100 -0.085 0.000 0.963 269 G HN 0.659 nan 8.290 nan 0.000 0.494 270 I N 2.257 122.810 120.570 -0.027 0.000 2.439 270 I HA 0.488 4.658 4.170 0.000 0.000 0.285 270 I C 0.306 176.437 176.117 0.023 0.000 1.021 270 I CA -0.586 60.715 61.300 0.001 0.000 1.091 270 I CB 2.417 40.412 38.000 -0.009 0.000 1.242 270 I HN 0.667 nan 8.210 nan 0.000 0.439 271 T N 1.525 116.097 114.554 0.030 0.000 2.716 271 T HA 0.823 5.173 4.350 0.000 0.000 0.286 271 T C -0.464 174.250 174.700 0.024 0.000 1.052 271 T CA -0.763 61.348 62.100 0.019 0.000 1.024 271 T CB 2.009 70.870 68.868 -0.012 0.000 1.349 271 T HN 0.534 nan 8.240 nan 0.000 0.525 272 S N -0.647 115.053 115.700 -0.001 0.000 2.541 272 S HA 0.520 4.990 4.470 0.000 0.000 0.271 272 S C -0.507 174.068 174.600 -0.042 0.000 1.133 272 S CA -0.779 57.407 58.200 -0.023 0.000 0.876 272 S CB 1.883 65.087 63.200 0.007 0.000 1.105 272 S HN 0.618 nan 8.310 nan 0.000 0.470 273 D N 1.523 121.889 120.400 -0.056 0.000 2.213 273 D HA 0.235 4.876 4.640 0.000 0.000 0.205 273 D C 1.330 177.663 176.300 0.055 0.000 0.961 273 D CA 1.434 55.426 54.000 -0.013 0.000 0.853 273 D CB -0.524 40.288 40.800 0.020 0.000 0.967 273 D HN 1.171 nan 8.370 nan 0.000 0.496 274 A N -0.189 122.654 122.820 0.039 0.000 2.415 274 A HA -0.251 4.069 4.320 0.000 0.000 0.292 274 A C 0.672 178.334 177.584 0.129 0.000 1.452 274 A CA 0.983 53.051 52.037 0.052 0.000 0.750 274 A CB -2.086 16.935 19.000 0.034 0.000 1.099 274 A HN 0.395 nan 8.150 nan 0.000 0.391 275 F N -0.813 119.135 119.950 -0.003 0.000 2.495 275 F HA 0.400 4.928 4.527 0.001 0.000 0.272 275 F C 0.651 176.515 175.800 0.107 0.000 0.919 275 F CA 1.184 59.206 58.000 0.036 0.000 1.178 275 F CB 0.557 39.572 39.000 0.025 0.000 1.030 275 F HN 0.646 nan 8.300 nan 0.000 0.777 276 H N 0.287 119.212 119.070 -0.241 0.000 3.064 276 H HA 0.291 4.847 4.556 0.000 0.000 0.352 276 H C 0.319 175.613 175.328 -0.057 0.000 1.260 276 H CA -0.420 55.445 56.048 -0.305 0.000 1.160 276 H CB 1.637 31.106 29.762 -0.489 0.000 1.879 276 H HN -0.004 nan 8.280 nan 0.000 0.544 277 M N 2.548 122.014 119.600 -0.223 0.000 2.319 277 M HA -0.054 4.426 4.480 0.000 0.000 0.265 277 M C 1.483 177.919 176.300 0.226 0.000 1.068 277 M CA 1.341 56.631 55.300 -0.016 0.000 1.118 277 M CB -0.326 32.205 32.600 -0.116 0.000 1.395 277 M HN 0.475 nan 8.290 nan 0.000 0.435 278 V N -4.639 115.573 119.914 0.497 0.000 3.509 278 V HA 0.598 4.718 4.120 0.000 0.000 0.286 278 V C 0.254 176.647 176.094 0.499 0.000 1.618 278 V CA -0.224 62.386 62.300 0.516 0.000 1.088 278 V CB -0.567 31.439 31.823 0.305 0.000 0.909 278 V HN 0.096 nan 8.190 nan 0.000 0.429 279 A N 2.233 125.258 122.820 0.341 0.000 2.337 279 A HA 0.985 5.305 4.320 0.000 0.000 0.329 279 A C -2.878 174.886 177.584 0.300 0.000 1.146 279 A CA -1.952 50.195 52.037 0.182 0.000 0.800 279 A CB 1.238 20.166 19.000 -0.120 0.000 1.220 279 A HN 0.255 nan 8.150 nan 0.000 0.472 280 P HA 0.357 nan 4.420 nan 0.000 0.277 280 P C -0.187 177.056 177.300 -0.095 0.000 1.240 280 P CA -0.050 63.089 63.100 0.066 0.000 0.798 280 P CB 1.004 32.691 31.700 -0.020 0.000 0.979 281 A N 2.081 124.680 122.820 -0.367 0.000 2.488 281 A HA 0.361 4.681 4.320 0.000 0.000 0.249 281 A C 1.655 178.927 177.584 -0.521 0.000 1.083 281 A CA 0.277 51.753 52.037 -0.935 0.000 0.768 281 A CB -0.427 18.148 19.000 -0.709 0.000 1.017 281 A HN 0.598 nan 8.150 nan 0.000 0.496 282 A N 2.315 124.836 122.820 -0.497 0.000 1.969 282 A HA -0.113 4.207 4.320 0.000 0.000 0.218 282 A C 1.540 179.014 177.584 -0.183 0.000 1.169 282 A CA 1.840 53.736 52.037 -0.235 0.000 0.635 282 A CB -0.510 18.398 19.000 -0.154 0.000 0.810 282 A HN 0.921 nan 8.150 nan 0.000 0.445 283 D N -1.435 118.833 120.400 -0.219 0.000 2.348 283 D HA 0.155 4.795 4.640 0.000 0.000 0.216 283 D C 1.312 177.530 176.300 -0.136 0.000 0.970 283 D CA 0.983 54.894 54.000 -0.149 0.000 0.889 283 D CB -0.961 39.758 40.800 -0.136 0.000 0.912 283 D HN 0.743 nan 8.370 nan 0.000 0.524 284 G N -0.197 108.497 108.800 -0.177 0.000 2.212 284 G HA2 -0.346 3.614 3.960 0.000 0.000 0.267 284 G HA3 -0.346 3.614 3.960 0.000 0.000 0.267 284 G C 1.092 175.896 174.900 -0.160 0.000 1.002 284 G CA 0.689 45.685 45.100 -0.175 0.000 0.729 284 G HN 0.380 nan 8.290 nan 0.000 0.517 285 V N 0.182 120.009 119.914 -0.146 0.000 2.323 285 V HA -0.114 4.006 4.120 0.000 0.000 0.244 285 V C 2.892 178.920 176.094 -0.111 0.000 1.041 285 V CA 2.310 64.546 62.300 -0.108 0.000 1.025 285 V CB -0.368 31.404 31.823 -0.086 0.000 0.656 285 V HN 0.423 nan 8.190 nan 0.000 0.451 286 R N 0.403 120.823 120.500 -0.132 0.000 2.115 286 R HA 0.064 4.404 4.340 0.000 0.000 0.226 286 R C 2.313 178.517 176.300 -0.160 0.000 1.100 286 R CA 1.365 57.395 56.100 -0.118 0.000 0.980 286 R CB -1.263 28.974 30.300 -0.104 0.000 0.875 286 R HN 0.526 nan 8.270 nan 0.000 0.445 287 A N 0.679 123.335 122.820 -0.273 0.000 1.877 287 A HA -0.052 4.268 4.320 0.000 0.000 0.216 287 A C 2.429 179.908 177.584 -0.174 0.000 1.186 287 A CA 1.791 53.573 52.037 -0.425 0.000 0.620 287 A CB -1.138 17.332 19.000 -0.883 0.000 0.822 287 A HN 0.385 nan 8.150 nan 0.000 0.443 288 G N -0.253 108.471 108.800 -0.126 0.000 2.440 288 G HA2 -0.311 3.649 3.960 0.000 0.000 0.218 288 G HA3 -0.311 3.649 3.960 0.000 0.000 0.218 288 G C 1.692 176.573 174.900 -0.033 0.000 1.154 288 G CA 1.409 46.481 45.100 -0.047 0.000 0.767 288 G HN 0.567 nan 8.290 nan 0.000 0.552 289 R N 1.163 121.635 120.500 -0.048 0.000 2.152 289 R HA 0.159 4.499 4.340 0.000 0.000 0.232 289 R C 2.638 178.925 176.300 -0.021 0.000 1.117 289 R CA 1.698 57.779 56.100 -0.032 0.000 0.981 289 R CB -0.710 29.569 30.300 -0.035 0.000 0.870 289 R HN 0.242 nan 8.270 nan 0.000 0.451 290 A N 0.572 123.382 122.820 -0.017 0.000 1.902 290 A HA -0.160 4.160 4.320 0.000 0.000 0.217 290 A C 2.216 179.800 177.584 -0.000 0.000 1.181 290 A CA 1.796 53.834 52.037 0.003 0.000 0.623 290 A CB -0.493 18.533 19.000 0.044 0.000 0.818 290 A HN 0.426 nan 8.150 nan 0.000 0.443 291 M N -0.787 118.824 119.600 0.019 0.000 2.065 291 M HA -0.154 4.326 4.480 0.000 0.000 0.259 291 M C 2.273 178.559 176.300 -0.023 0.000 1.069 291 M CA 2.168 57.469 55.300 0.003 0.000 1.110 291 M CB -1.030 31.584 32.600 0.023 0.000 1.328 291 M HN 0.423 nan 8.290 nan 0.000 0.405 292 T N -0.243 114.299 114.554 -0.019 0.000 2.720 292 T HA -0.174 4.176 4.350 0.000 0.000 0.268 292 T C 1.816 176.500 174.700 -0.027 0.000 1.037 292 T CA 1.558 63.644 62.100 -0.023 0.000 1.144 292 T CB -0.337 68.520 68.868 -0.018 0.000 0.864 292 T HN 0.209 nan 8.240 nan 0.000 0.444 293 R N 1.885 122.370 120.500 -0.025 0.000 2.081 293 R HA -0.076 4.265 4.340 0.000 0.000 0.235 293 R C 2.631 178.900 176.300 -0.052 0.000 1.131 293 R CA 2.080 58.167 56.100 -0.022 0.000 0.960 293 R CB -0.996 29.295 30.300 -0.015 0.000 0.856 293 R HN 0.499 nan 8.270 nan 0.000 0.436 294 S N 0.057 115.702 115.700 -0.092 0.000 2.383 294 S HA -0.132 4.338 4.470 0.000 0.000 0.229 294 S C 2.076 176.592 174.600 -0.140 0.000 1.030 294 S CA 1.417 59.516 58.200 -0.169 0.000 1.002 294 S CB -0.584 62.502 63.200 -0.191 0.000 0.829 294 S HN 0.379 nan 8.310 nan 0.000 0.467 295 L N 1.076 122.244 121.223 -0.091 0.000 2.056 295 L HA -0.060 4.280 4.340 0.000 0.000 0.207 295 L C 2.971 179.811 176.870 -0.050 0.000 1.078 295 L CA 1.715 56.507 54.840 -0.081 0.000 0.749 295 L CB -0.771 41.248 42.059 -0.067 0.000 0.901 295 L HN 0.407 nan 8.230 nan 0.000 0.433 296 E N 0.425 120.612 120.200 -0.022 0.000 2.085 296 E HA -0.223 4.128 4.350 0.000 0.000 0.194 296 E C 2.341 178.982 176.600 0.069 0.000 0.994 296 E CA 1.162 57.571 56.400 0.016 0.000 0.801 296 E CB -0.143 29.574 29.700 0.028 0.000 0.743 296 E HN 0.453 nan 8.360 nan 0.000 0.453 297 L N 0.293 121.570 121.223 0.090 0.000 2.109 297 L HA -0.092 4.249 4.340 0.000 0.000 0.207 297 L C 2.512 179.534 176.870 0.254 0.000 1.086 297 L CA 0.758 55.752 54.840 0.258 0.000 0.760 297 L CB -0.332 41.839 42.059 0.188 0.000 0.910 297 L HN 0.132 nan 8.230 nan 0.000 0.437 298 A N -0.211 122.638 122.820 0.048 0.000 2.015 298 A HA 0.088 4.408 4.320 0.000 0.000 0.219 298 A C 1.765 179.370 177.584 0.035 0.000 1.163 298 A CA 1.076 53.126 52.037 0.022 0.000 0.646 298 A CB -0.642 18.299 19.000 -0.098 0.000 0.806 298 A HN 0.530 nan 8.150 nan 0.000 0.448 299 G N -1.445 107.363 108.800 0.013 0.000 2.182 299 G HA2 -0.178 3.783 3.960 0.000 0.000 0.248 299 G HA3 -0.178 3.783 3.960 0.000 0.000 0.248 299 G C -0.125 174.726 174.900 -0.083 0.000 1.042 299 G CA 0.382 45.472 45.100 -0.017 0.000 0.775 299 G HN 0.495 nan 8.290 nan 0.000 0.501 300 L N 0.366 121.513 121.223 -0.126 0.000 2.322 300 L HA 0.813 5.153 4.340 0.000 0.000 0.269 300 L C 0.913 177.710 176.870 -0.122 0.000 1.012 300 L CA -0.566 54.154 54.840 -0.200 0.000 0.815 300 L CB 2.034 43.898 42.059 -0.326 0.000 1.295 300 L HN 0.386 nan 8.230 nan 0.000 0.438 301 S N -0.392 115.242 115.700 -0.111 0.000 2.638 301 S HA 0.502 4.972 4.470 0.000 0.000 0.298 301 S C -2.205 172.363 174.600 -0.053 0.000 1.111 301 S CA -1.409 56.754 58.200 -0.063 0.000 1.027 301 S CB 1.765 64.941 63.200 -0.040 0.000 1.064 301 S HN 0.355 nan 8.310 nan 0.000 0.525 302 P HA -0.068 nan 4.420 nan 0.000 0.217 302 P C 1.406 178.708 177.300 0.003 0.000 1.148 302 P CA 1.826 64.917 63.100 -0.015 0.000 0.828 302 P CB -0.237 31.457 31.700 -0.010 0.000 0.783 303 A N -0.236 122.586 122.820 0.004 0.000 2.015 303 A HA -0.177 4.143 4.320 0.000 0.000 0.219 303 A C 1.800 179.413 177.584 0.048 0.000 1.163 303 A CA 1.641 53.692 52.037 0.023 0.000 0.646 303 A CB -1.099 17.912 19.000 0.018 0.000 0.806 303 A HN 0.101 nan 8.150 nan 0.000 0.448 304 D N -0.120 120.299 120.400 0.032 0.000 2.312 304 D HA -0.008 4.633 4.640 0.000 0.000 0.211 304 D C 0.298 176.707 176.300 0.182 0.000 0.964 304 D CA 0.457 54.508 54.000 0.086 0.000 0.877 304 D CB -0.066 40.669 40.800 -0.107 0.000 0.924 304 D HN 0.243 nan 8.370 nan 0.000 0.515 305 I N 2.253 122.890 120.570 0.111 0.000 2.308 305 I HA 0.007 4.177 4.170 0.000 0.000 0.293 305 I C 0.952 177.161 176.117 0.153 0.000 1.078 305 I CA -0.151 61.233 61.300 0.141 0.000 1.292 305 I CB 0.864 38.905 38.000 0.067 0.000 1.423 305 I HN -0.208 nan 8.210 nan 0.000 0.493 306 D N 3.644 124.176 120.400 0.220 0.000 2.305 306 D HA -0.039 4.601 4.640 0.000 0.000 0.206 306 D C 0.491 176.939 176.300 0.247 0.000 0.974 306 D CA 1.107 55.257 54.000 0.250 0.000 0.871 306 D CB 0.357 41.363 40.800 0.343 0.000 0.947 306 D HN 0.570 nan 8.370 nan 0.000 0.516 307 H N -0.680 118.419 119.070 0.047 0.000 3.029 307 H HA 0.422 4.978 4.556 -0.000 0.000 0.358 307 H C -1.836 173.476 175.328 -0.026 0.000 1.129 307 H CA -0.650 55.358 56.048 -0.068 0.000 1.230 307 H CB 1.302 30.931 29.762 -0.222 0.000 1.827 307 H HN -0.354 nan 8.280 nan 0.000 0.530 308 V N 5.201 124.802 119.914 -0.521 0.000 2.444 308 V HA 0.262 4.383 4.120 0.000 0.000 0.294 308 V C -0.130 175.557 176.094 -0.678 0.000 1.022 308 V CA -1.027 60.976 62.300 -0.494 0.000 0.850 308 V CB 1.507 33.207 31.823 -0.205 0.000 0.992 308 V HN 0.829 nan 8.190 nan 0.000 0.426 309 N N 4.093 122.452 118.700 -0.568 0.000 2.469 309 N HA 0.384 5.124 4.740 0.000 0.000 0.239 309 N C 0.022 175.422 175.510 -0.183 0.000 1.053 309 N CA -0.110 52.780 53.050 -0.265 0.000 0.937 309 N CB 1.631 40.050 38.487 -0.114 0.000 1.163 309 N HN 0.828 nan 8.380 nan 0.000 0.509 310 A N 2.770 125.515 122.820 -0.125 0.000 2.386 310 A HA 0.075 4.395 4.320 0.000 0.000 0.248 310 A C 1.198 178.691 177.584 -0.152 0.000 1.082 310 A CA -0.149 51.852 52.037 -0.059 0.000 0.789 310 A CB 0.235 19.347 19.000 0.186 0.000 1.025 310 A HN 0.900 nan 8.150 nan 0.000 0.490 311 H N 1.464 120.332 119.070 -0.337 0.000 2.326 311 H HA 0.078 4.634 4.556 0.000 0.000 0.301 311 H C 1.546 176.658 175.328 -0.360 0.000 1.081 311 H CA 1.799 57.584 56.048 -0.438 0.000 1.334 311 H CB -0.482 28.881 29.762 -0.666 0.000 1.385 311 H HN 1.280 nan 8.280 nan 0.000 0.504 312 G N 0.484 109.072 108.800 -0.353 0.000 2.334 312 G HA2 -0.311 3.649 3.960 0.000 0.000 0.279 312 G HA3 -0.311 3.649 3.960 0.000 0.000 0.279 312 G C 1.037 175.579 174.900 -0.597 0.000 0.918 312 G CA 0.955 45.725 45.100 -0.550 0.000 1.314 312 G HN 0.787 nan 8.290 nan 0.000 0.463 313 T N -2.490 111.717 114.554 -0.578 0.000 3.067 313 T HA 0.450 4.800 4.350 0.000 0.000 0.261 313 T C 1.887 176.444 174.700 -0.238 0.000 1.110 313 T CA 1.571 63.380 62.100 -0.486 0.000 1.113 313 T CB 0.094 68.711 68.868 -0.417 0.000 0.917 313 T HN 2.361 nan 8.240 nan 0.000 0.499 314 A N 0.778 123.437 122.820 -0.268 0.000 3.168 314 A HA -0.110 4.211 4.320 0.000 0.000 0.249 314 A C 0.804 178.344 177.584 -0.073 0.000 1.280 314 A CA 0.844 52.777 52.037 -0.173 0.000 1.128 314 A CB -2.946 15.988 19.000 -0.111 0.000 1.160 314 A HN 1.327 nan 8.150 nan 0.000 0.900 315 T N -2.692 111.842 114.554 -0.033 0.000 2.913 315 T HA 0.527 4.877 4.350 0.000 0.000 0.297 315 T C -0.989 173.709 174.700 -0.003 0.000 1.029 315 T CA -0.883 61.233 62.100 0.026 0.000 1.104 315 T CB 1.107 70.043 68.868 0.113 0.000 0.964 315 T HN 0.048 nan 8.240 nan 0.000 0.532 316 P HA -0.121 nan 4.420 nan 0.000 0.214 316 P C 1.753 179.069 177.300 0.026 0.000 1.163 316 P CA 1.244 64.354 63.100 0.017 0.000 0.889 316 P CB -0.158 31.555 31.700 0.021 0.000 0.790 317 I N -3.975 116.618 120.570 0.039 0.000 2.617 317 I HA 0.060 4.230 4.170 0.000 0.000 0.256 317 I C 2.091 178.233 176.117 0.042 0.000 1.167 317 I CA 1.619 62.943 61.300 0.040 0.000 1.469 317 I CB -1.309 36.718 38.000 0.045 0.000 1.098 317 I HN -0.152 nan 8.210 nan 0.000 0.436 318 G N 1.512 110.341 108.800 0.049 0.000 2.414 318 G HA2 -0.218 3.742 3.960 0.000 0.000 0.215 318 G HA3 -0.218 3.742 3.960 0.000 0.000 0.215 318 G C 1.137 176.062 174.900 0.041 0.000 1.188 318 G CA 1.133 46.266 45.100 0.055 0.000 0.783 318 G HN 0.377 nan 8.290 nan 0.000 0.537 319 D N 1.020 121.400 120.400 -0.033 0.000 2.144 319 D HA 0.010 4.650 4.640 0.000 0.000 0.200 319 D C 2.792 179.191 176.300 0.165 0.000 0.978 319 D CA 1.147 55.114 54.000 -0.055 0.000 0.833 319 D CB -0.496 40.131 40.800 -0.289 0.000 0.961 319 D HN 0.297 nan 8.370 nan 0.000 0.470 320 A N 1.083 123.966 122.820 0.105 0.000 1.902 320 A HA -0.066 4.255 4.320 0.000 0.000 0.217 320 A C 2.314 179.943 177.584 0.075 0.000 1.181 320 A CA 2.270 54.367 52.037 0.100 0.000 0.623 320 A CB -0.776 18.259 19.000 0.057 0.000 0.818 320 A HN 0.237 nan 8.150 nan 0.000 0.443 321 A N -0.449 122.399 122.820 0.045 0.000 1.902 321 A HA -0.183 4.137 4.320 0.000 0.000 0.217 321 A C 2.039 179.644 177.584 0.034 0.000 1.181 321 A CA 1.845 53.880 52.037 -0.004 0.000 0.623 321 A CB -0.530 18.439 19.000 -0.052 0.000 0.818 321 A HN 0.680 nan 8.150 nan 0.000 0.443 322 E N -0.182 120.105 120.200 0.145 0.000 2.106 322 E HA -0.072 4.279 4.350 0.000 0.000 0.192 322 E C 2.099 178.816 176.600 0.194 0.000 0.984 322 E CA 0.905 57.457 56.400 0.254 0.000 0.806 322 E CB -0.259 29.698 29.700 0.428 0.000 0.750 322 E HN 0.529 nan 8.360 nan 0.000 0.458 323 A N 1.377 124.314 122.820 0.195 0.000 1.908 323 A HA -0.247 4.073 4.320 0.000 0.000 0.218 323 A C 1.967 179.573 177.584 0.037 0.000 1.181 323 A CA 1.769 53.857 52.037 0.086 0.000 0.627 323 A CB -0.695 18.359 19.000 0.091 0.000 0.818 323 A HN 0.273 nan 8.150 nan 0.000 0.445 324 N N 0.339 119.057 118.700 0.030 0.000 2.120 324 N HA -0.112 4.629 4.740 0.000 0.000 0.188 324 N C 1.901 177.401 175.510 -0.017 0.000 1.024 324 N CA 1.583 54.630 53.050 -0.006 0.000 0.852 324 N CB -0.619 37.851 38.487 -0.029 0.000 1.003 324 N HN 0.476 nan 8.380 nan 0.000 0.424 325 A N 1.146 123.958 122.820 -0.014 0.000 1.883 325 A HA -0.089 4.231 4.320 0.000 0.000 0.217 325 A C 2.339 179.929 177.584 0.010 0.000 1.186 325 A CA 1.031 53.054 52.037 -0.023 0.000 0.624 325 A CB -0.715 18.267 19.000 -0.030 0.000 0.822 325 A HN 0.241 nan 8.150 nan 0.000 0.444 326 I N -1.085 119.505 120.570 0.033 0.000 2.286 326 I HA -0.257 3.913 4.170 0.000 0.000 0.248 326 I C 2.800 178.913 176.117 -0.006 0.000 1.115 326 I CA 1.218 62.527 61.300 0.015 0.000 1.392 326 I CB -0.305 37.692 38.000 -0.005 0.000 1.065 326 I HN 0.296 nan 8.210 nan 0.000 0.418 327 R N 0.171 120.665 120.500 -0.010 0.000 2.070 327 R HA -0.132 4.209 4.340 0.000 0.000 0.233 327 R C 2.356 178.647 176.300 -0.014 0.000 1.137 327 R CA 1.426 57.518 56.100 -0.013 0.000 0.945 327 R CB -0.579 29.713 30.300 -0.013 0.000 0.845 327 R HN 0.180 nan 8.270 nan 0.000 0.430 328 V N 1.100 121.003 119.914 -0.019 0.000 2.324 328 V HA -0.287 3.833 4.120 0.000 0.000 0.250 328 V C 2.218 178.301 176.094 -0.019 0.000 1.060 328 V CA 2.109 64.394 62.300 -0.024 0.000 1.042 328 V CB -0.634 31.167 31.823 -0.037 0.000 0.650 328 V HN 0.462 nan 8.190 nan 0.000 0.450 329 A N -0.942 121.870 122.820 -0.014 0.000 2.235 329 A HA 0.371 4.691 4.320 0.000 0.000 0.208 329 A C 1.931 179.509 177.584 -0.010 0.000 1.172 329 A CA 1.021 53.052 52.037 -0.011 0.000 0.786 329 A CB -0.534 18.464 19.000 -0.004 0.000 0.804 329 A HN 1.326 nan 8.150 nan 0.000 0.479 330 G N -2.510 106.284 108.800 -0.010 0.000 2.147 330 G HA2 -0.279 3.681 3.960 0.000 0.000 0.244 330 G HA3 -0.279 3.681 3.960 0.000 0.000 0.244 330 G C 0.448 175.346 174.900 -0.004 0.000 1.005 330 G CA 0.306 45.401 45.100 -0.007 0.000 0.713 330 G HN 0.657 nan 8.290 nan 0.000 0.515 331 C N 0.985 120.281 119.300 -0.006 0.000 2.778 331 C HA 0.304 4.764 4.460 0.000 0.000 0.294 331 C C 1.871 176.853 174.990 -0.013 0.000 1.331 331 C CA 0.095 59.110 59.018 -0.005 0.000 1.741 331 C CB -0.328 27.407 27.740 -0.007 0.000 2.106 331 C HN 0.696 nan 8.230 nan 0.000 0.603 332 D N 0.104 120.495 120.400 -0.016 0.000 2.363 332 D HA -0.093 4.547 4.640 0.000 0.000 0.226 332 D C 1.540 177.827 176.300 -0.021 0.000 1.020 332 D CA 0.829 54.812 54.000 -0.028 0.000 0.892 332 D CB -0.147 40.637 40.800 -0.027 0.000 0.900 332 D HN 0.334 nan 8.370 nan 0.000 0.531 333 Q N 0.228 120.026 119.800 -0.003 0.000 2.360 333 Q HA 0.310 4.651 4.340 0.000 0.000 0.202 333 Q C 0.536 176.551 176.000 0.025 0.000 0.915 333 Q CA 0.026 55.836 55.803 0.011 0.000 0.943 333 Q CB 0.433 29.184 28.738 0.021 0.000 1.064 333 Q HN 0.412 nan 8.270 nan 0.000 0.511 334 A N 0.898 123.728 122.820 0.017 0.000 2.351 334 A HA 0.591 4.911 4.320 0.000 0.000 0.257 334 A C -0.025 177.577 177.584 0.030 0.000 1.087 334 A CA -0.069 51.992 52.037 0.040 0.000 0.798 334 A CB 0.398 19.411 19.000 0.022 0.000 1.033 334 A HN 0.237 nan 8.150 nan 0.000 0.488 335 A N 1.514 124.381 122.820 0.079 0.000 2.409 335 A HA 0.513 4.833 4.320 0.000 0.000 0.267 335 A C -0.072 177.564 177.584 0.085 0.000 1.127 335 A CA -0.181 51.894 52.037 0.065 0.000 0.795 335 A CB -0.237 18.808 19.000 0.075 0.000 1.061 335 A HN 0.943 nan 8.150 nan 0.000 0.502 336 V N 3.707 123.617 119.914 -0.007 0.000 2.427 336 V HA 0.344 4.464 4.120 0.000 0.000 0.286 336 V C -0.615 175.528 176.094 0.083 0.000 1.034 336 V CA -0.388 61.889 62.300 -0.039 0.000 0.893 336 V CB 1.160 32.843 31.823 -0.234 0.000 0.982 336 V HN 0.779 nan 8.190 nan 0.000 0.452 337 Y N 3.710 124.022 120.300 0.019 0.000 2.409 337 Y HA 0.741 5.291 4.550 -0.000 0.000 0.343 337 Y C -0.063 175.859 175.900 0.036 0.000 0.973 337 Y CA -1.732 56.393 58.100 0.041 0.000 1.064 337 Y CB 1.906 40.450 38.460 0.140 0.000 1.207 337 Y HN 0.633 nan 8.280 nan 0.000 0.452 338 A N 8.711 131.377 122.820 -0.256 0.000 2.644 338 A HA 0.466 4.786 4.320 0.000 0.000 0.343 338 A C -2.313 174.860 177.584 -0.684 0.000 1.324 338 A CA -1.550 50.266 52.037 -0.369 0.000 0.846 338 A CB 0.262 19.206 19.000 -0.093 0.000 1.128 338 A HN 0.615 nan 8.150 nan 0.000 0.484 339 P HA -0.157 nan 4.420 nan 0.000 0.222 339 P C 1.006 178.116 177.300 -0.317 0.000 1.147 339 P CA 1.118 63.785 63.100 -0.722 0.000 0.790 339 P CB 0.180 31.591 31.700 -0.481 0.000 0.780 340 K N 0.414 120.625 120.400 -0.315 0.000 2.360 340 K HA -0.089 4.231 4.320 0.000 0.000 0.201 340 K C 2.230 178.738 176.600 -0.153 0.000 1.046 340 K CA 1.531 57.679 56.287 -0.231 0.000 0.940 340 K CB -0.466 31.834 32.500 -0.333 0.000 0.748 340 K HN 0.267 nan 8.250 nan 0.000 0.465 341 S N 0.524 116.133 115.700 -0.151 0.000 2.400 341 S HA -0.162 4.309 4.470 0.000 0.000 0.232 341 S C 2.022 176.605 174.600 -0.029 0.000 1.025 341 S CA 1.146 59.306 58.200 -0.067 0.000 0.993 341 S CB -0.064 63.120 63.200 -0.026 0.000 0.808 341 S HN 0.333 nan 8.310 nan 0.000 0.478 342 A N 0.415 123.219 122.820 -0.026 0.000 2.026 342 A HA 0.588 4.908 4.320 0.000 0.000 0.201 342 A C 1.921 179.500 177.584 -0.009 0.000 1.318 342 A CA 0.075 52.113 52.037 0.003 0.000 0.857 342 A CB -0.062 18.969 19.000 0.052 0.000 0.939 342 A HN 0.442 nan 8.150 nan 0.000 0.476 343 L N -0.770 120.442 121.223 -0.017 0.000 2.664 343 L HA 0.372 4.712 4.340 0.000 0.000 0.233 343 L C 1.296 178.169 176.870 0.006 0.000 1.113 343 L CA 0.400 55.241 54.840 0.001 0.000 0.896 343 L CB 0.081 42.148 42.059 0.012 0.000 1.163 343 L HN 0.577 nan 8.230 nan 0.000 0.497 344 G N 0.158 108.949 108.800 -0.014 0.000 2.752 344 G HA2 -0.316 3.644 3.960 0.000 0.000 0.234 344 G HA3 -0.316 3.644 3.960 0.000 0.000 0.234 344 G C -0.715 174.211 174.900 0.043 0.000 1.367 344 G CA -0.451 44.665 45.100 0.027 0.000 0.879 344 G HN 0.271 nan 8.290 nan 0.000 0.563 345 H N 0.528 119.576 119.070 -0.036 0.000 2.519 345 H HA 0.627 5.183 4.556 0.001 0.000 0.316 345 H C 1.177 176.534 175.328 0.049 0.000 1.065 345 H CA -0.252 55.718 56.048 -0.129 0.000 1.264 345 H CB 0.996 30.494 29.762 -0.439 0.000 1.413 345 H HN 0.867 nan 8.280 nan 0.000 0.465 346 S N 5.573 121.450 115.700 0.295 0.000 2.651 346 S HA 0.211 4.681 4.470 0.000 0.000 0.246 346 S C 1.160 175.824 174.600 0.107 0.000 1.039 346 S CA -0.421 57.872 58.200 0.155 0.000 1.013 346 S CB -0.174 63.096 63.200 0.117 0.000 0.861 346 S HN 0.571 nan 8.310 nan 0.000 0.485 347 I N 1.490 122.095 120.570 0.058 0.000 4.904 347 I HA -0.380 3.790 4.170 0.000 0.000 0.038 347 I C 2.234 178.410 176.117 0.098 0.000 0.635 347 I CA 2.072 63.367 61.300 -0.007 0.000 0.226 347 I CB -2.146 35.829 38.000 -0.041 0.000 0.330 347 I HN 0.474 nan 8.210 nan 0.000 0.150 348 G N 0.018 108.866 108.800 0.079 0.000 2.443 348 G HA2 0.086 4.046 3.960 0.000 0.000 0.219 348 G HA3 0.086 4.046 3.960 0.000 0.000 0.219 348 G C 1.445 176.389 174.900 0.073 0.000 1.131 348 G CA 1.613 46.759 45.100 0.077 0.000 0.775 348 G HN 0.959 nan 8.290 nan 0.000 0.547 349 A N -0.352 122.514 122.820 0.077 0.000 2.132 349 A HA 0.387 4.707 4.320 0.000 0.000 0.213 349 A C 2.321 179.944 177.584 0.065 0.000 1.154 349 A CA 0.943 53.022 52.037 0.070 0.000 0.753 349 A CB -0.178 18.867 19.000 0.074 0.000 0.826 349 A HN 0.254 nan 8.150 nan 0.000 0.469 350 V N 0.075 120.038 119.914 0.082 0.000 2.427 350 V HA -0.111 4.009 4.120 0.000 0.000 0.248 350 V C 2.425 178.532 176.094 0.021 0.000 1.051 350 V CA 2.260 64.595 62.300 0.058 0.000 1.048 350 V CB -0.633 31.242 31.823 0.086 0.000 0.666 350 V HN 0.525 nan 8.190 nan 0.000 0.456 351 G N -0.937 107.882 108.800 0.032 0.000 2.422 351 G HA2 -0.182 3.779 3.960 0.000 0.000 0.218 351 G HA3 -0.182 3.779 3.960 0.000 0.000 0.218 351 G C 1.721 176.631 174.900 0.016 0.000 1.146 351 G CA 0.970 46.075 45.100 0.008 0.000 0.769 351 G HN 0.680 nan 8.290 nan 0.000 0.547 352 A N 0.538 123.376 122.820 0.031 0.000 1.873 352 A HA 0.118 4.438 4.320 0.000 0.000 0.215 352 A C 2.327 179.919 177.584 0.015 0.000 1.186 352 A CA 1.585 53.644 52.037 0.036 0.000 0.616 352 A CB -0.500 18.527 19.000 0.045 0.000 0.823 352 A HN 0.442 nan 8.150 nan 0.000 0.442 353 L N 0.460 121.691 121.223 0.014 0.000 2.012 353 L HA -0.196 4.144 4.340 0.000 0.000 0.210 353 L C 2.083 178.941 176.870 -0.020 0.000 1.073 353 L CA 2.606 57.448 54.840 0.004 0.000 0.748 353 L CB -0.794 41.277 42.059 0.020 0.000 0.891 353 L HN 0.545 nan 8.230 nan 0.000 0.431 354 E N -1.077 119.106 120.200 -0.029 0.000 2.204 354 E HA -0.140 4.210 4.350 0.000 0.000 0.194 354 E C 2.079 178.631 176.600 -0.082 0.000 0.989 354 E CA 1.070 57.440 56.400 -0.049 0.000 0.824 354 E CB -0.070 29.586 29.700 -0.074 0.000 0.756 354 E HN 0.527 nan 8.360 nan 0.000 0.477 355 S N 0.462 116.118 115.700 -0.072 0.000 2.368 355 S HA -0.112 4.358 4.470 0.000 0.000 0.224 355 S C 2.221 176.624 174.600 -0.327 0.000 1.029 355 S CA 0.714 58.826 58.200 -0.148 0.000 0.988 355 S CB -0.101 63.147 63.200 0.079 0.000 0.838 355 S HN 0.065 nan 8.310 nan 0.000 0.462 356 V N 2.533 122.337 119.914 -0.184 0.000 2.287 356 V HA -0.180 3.940 4.120 0.000 0.000 0.248 356 V C 2.186 178.106 176.094 -0.291 0.000 1.053 356 V CA 1.580 63.752 62.300 -0.212 0.000 1.027 356 V CB -0.795 30.956 31.823 -0.120 0.000 0.646 356 V HN 0.436 nan 8.190 nan 0.000 0.447 357 L N -0.393 120.711 121.223 -0.199 0.000 2.083 357 L HA -0.183 4.158 4.340 0.000 0.000 0.209 357 L C 2.574 179.300 176.870 -0.240 0.000 1.083 357 L CA 1.904 56.633 54.840 -0.185 0.000 0.752 357 L CB -1.089 41.032 42.059 0.102 0.000 0.899 357 L HN 0.365 nan 8.230 nan 0.000 0.433 358 T N -0.577 113.834 114.554 -0.237 0.000 2.821 358 T HA -0.123 4.227 4.350 0.000 0.000 0.267 358 T C 2.053 176.528 174.700 -0.376 0.000 1.046 358 T CA 1.095 63.055 62.100 -0.233 0.000 1.139 358 T CB -0.140 68.522 68.868 -0.342 0.000 0.871 358 T HN 0.056 nan 8.240 nan 0.000 0.454 359 V N 1.680 121.262 119.914 -0.553 0.000 2.295 359 V HA -0.127 3.994 4.120 0.000 0.000 0.246 359 V C 2.468 178.342 176.094 -0.366 0.000 1.049 359 V CA 1.538 63.572 62.300 -0.444 0.000 1.024 359 V CB -0.656 30.923 31.823 -0.407 0.000 0.648 359 V HN 0.454 nan 8.190 nan 0.000 0.447 360 L N -0.611 120.284 121.223 -0.547 0.000 2.093 360 L HA -0.149 4.191 4.340 0.000 0.000 0.208 360 L C 2.606 179.142 176.870 -0.555 0.000 1.085 360 L CA 1.733 56.093 54.840 -0.799 0.000 0.755 360 L CB -1.080 39.996 42.059 -1.638 0.000 0.904 360 L HN 0.333 nan 8.230 nan 0.000 0.435 361 T N 0.512 114.839 114.554 -0.379 0.000 2.720 361 T HA -0.166 4.184 4.350 0.000 0.000 0.268 361 T C 1.987 176.698 174.700 0.018 0.000 1.037 361 T CA 1.350 63.436 62.100 -0.024 0.000 1.144 361 T CB -0.210 68.575 68.868 -0.138 0.000 0.864 361 T HN 0.187 nan 8.240 nan 0.000 0.444 362 L N 0.247 121.451 121.223 -0.031 0.000 2.027 362 L HA -0.008 4.332 4.340 0.000 0.000 0.206 362 L C 2.873 179.764 176.870 0.036 0.000 1.074 362 L CA 1.218 56.082 54.840 0.040 0.000 0.745 362 L CB -0.463 41.614 42.059 0.030 0.000 0.898 362 L HN 0.126 nan 8.230 nan 0.000 0.433 363 R N 0.170 120.659 120.500 -0.019 0.000 2.083 363 R HA -0.191 4.149 4.340 0.000 0.000 0.237 363 R C 1.187 177.517 176.300 0.050 0.000 1.137 363 R CA 2.056 58.155 56.100 -0.000 0.000 0.951 363 R CB -0.052 30.209 30.300 -0.064 0.000 0.851 363 R HN 0.324 nan 8.270 nan 0.000 0.434 364 D N -1.541 118.912 120.400 0.090 0.000 2.360 364 D HA 0.130 4.770 4.640 0.000 0.000 0.210 364 D C 0.551 176.962 176.300 0.184 0.000 1.047 364 D CA 0.863 54.968 54.000 0.175 0.000 0.854 364 D CB 0.740 41.734 40.800 0.324 0.000 0.936 364 D HN 0.479 nan 8.370 nan 0.000 0.514 365 G N 1.152 110.057 108.800 0.175 0.000 2.273 365 G HA2 -0.190 3.770 3.960 0.000 0.000 0.280 365 G HA3 -0.190 3.770 3.960 0.000 0.000 0.280 365 G C -0.001 175.017 174.900 0.197 0.000 1.047 365 G CA 0.680 45.881 45.100 0.168 0.000 0.869 365 G HN 0.409 nan 8.290 nan 0.000 0.502 366 V N -0.203 119.839 119.914 0.213 0.000 2.969 366 V HA 0.728 4.848 4.120 0.000 0.000 0.304 366 V C -0.674 175.335 176.094 -0.142 0.000 1.192 366 V CA -1.171 61.087 62.300 -0.071 0.000 0.962 366 V CB 1.950 33.477 31.823 -0.494 0.000 1.045 366 V HN 0.377 nan 8.190 nan 0.000 0.428 367 I N 7.673 128.041 120.570 -0.337 0.000 2.378 367 I HA 0.502 4.672 4.170 0.000 0.000 0.291 367 I C -2.347 173.385 176.117 -0.641 0.000 0.992 367 I CA -2.137 58.836 61.300 -0.545 0.000 1.154 367 I CB 2.326 39.967 38.000 -0.599 0.000 1.315 367 I HN 0.482 nan 8.210 nan 0.000 0.448 368 P HA 0.163 nan 4.420 nan 0.000 0.273 368 P C -2.567 174.421 177.300 -0.519 0.000 1.250 368 P CA -1.373 61.290 63.100 -0.728 0.000 0.793 368 P CB -0.298 30.963 31.700 -0.732 0.000 1.011 369 P HA 0.033 nan 4.420 nan 0.000 0.276 369 P C -0.564 176.810 177.300 0.123 0.000 1.230 369 P CA 0.231 63.298 63.100 -0.055 0.000 0.776 369 P CB -0.017 31.669 31.700 -0.023 0.000 0.888 370 T N 4.613 119.281 114.554 0.190 0.000 2.751 370 T HA 0.154 4.504 4.350 0.000 0.000 0.290 370 T C 0.788 175.585 174.700 0.161 0.000 0.919 370 T CA -0.094 62.137 62.100 0.217 0.000 1.136 370 T CB -0.442 68.494 68.868 0.113 0.000 0.875 370 T HN 0.196 nan 8.240 nan 0.000 0.532 371 L N 4.240 125.541 121.223 0.130 0.000 2.483 371 L HA 0.090 4.430 4.340 0.000 0.000 0.276 371 L C 1.076 178.015 176.870 0.115 0.000 1.213 371 L CA -0.294 54.606 54.840 0.099 0.000 0.843 371 L CB 0.055 42.152 42.059 0.063 0.000 1.107 371 L HN 0.766 nan 8.230 nan 0.000 0.487 372 N N 0.130 118.891 118.700 0.102 0.000 2.828 372 N HA -0.293 4.447 4.740 0.000 0.000 0.248 372 N C -0.414 175.173 175.510 0.128 0.000 1.044 372 N CA 0.874 53.977 53.050 0.088 0.000 0.851 372 N CB -1.430 37.092 38.487 0.058 0.000 1.136 372 N HN 0.587 nan 8.380 nan 0.000 0.572 373 Y N 2.026 122.352 120.300 0.043 0.000 2.627 373 Y HA 0.223 4.773 4.550 0.001 0.000 0.347 373 Y C 1.328 177.253 175.900 0.042 0.000 1.099 373 Y CA 0.240 58.373 58.100 0.055 0.000 1.408 373 Y CB 0.141 38.648 38.460 0.079 0.000 1.247 373 Y HN 0.052 nan 8.280 nan 0.000 0.506 374 E N 1.574 121.633 120.200 -0.236 0.000 2.421 374 E HA 0.145 4.496 4.350 0.000 0.000 0.209 374 E C -0.346 176.094 176.600 -0.266 0.000 0.871 374 E CA 0.304 56.592 56.400 -0.187 0.000 1.064 374 E CB 0.851 30.503 29.700 -0.078 0.000 1.075 374 E HN 0.362 nan 8.360 nan 0.000 0.513 375 T N 3.046 117.392 114.554 -0.347 0.000 2.963 375 T HA 0.298 4.648 4.350 0.000 0.000 0.328 375 T C -2.769 171.744 174.700 -0.311 0.000 1.048 375 T CA -1.472 60.474 62.100 -0.257 0.000 1.033 375 T CB 1.667 70.457 68.868 -0.130 0.000 1.010 375 T HN -0.167 nan 8.240 nan 0.000 0.469 376 P HA 0.127 nan 4.420 nan 0.000 0.267 376 P C -0.483 176.812 177.300 -0.007 0.000 1.200 376 P CA -0.154 62.874 63.100 -0.120 0.000 0.772 376 P CB 0.531 32.227 31.700 -0.006 0.000 0.855 377 D N 3.010 123.457 120.400 0.079 0.000 2.303 377 D HA 0.209 4.849 4.640 0.000 0.000 0.236 377 D C -1.758 174.585 176.300 0.071 0.000 1.068 377 D CA -2.474 51.570 54.000 0.074 0.000 0.830 377 D CB 1.117 41.986 40.800 0.114 0.000 1.109 377 D HN 0.036 nan 8.370 nan 0.000 0.496 378 P HA -0.130 nan 4.420 nan 0.000 0.217 378 P C 0.776 178.100 177.300 0.040 0.000 1.148 378 P CA 0.970 64.092 63.100 0.037 0.000 0.828 378 P CB 0.425 32.140 31.700 0.025 0.000 0.783 379 E N -1.345 118.883 120.200 0.048 0.000 2.427 379 E HA -0.032 4.318 4.350 0.000 0.000 0.196 379 E C 1.762 178.399 176.600 0.061 0.000 1.028 379 E CA 0.602 57.030 56.400 0.047 0.000 0.864 379 E CB -0.234 29.494 29.700 0.047 0.000 0.813 379 E HN 0.306 nan 8.360 nan 0.000 0.514 380 I N 0.287 120.905 120.570 0.082 0.000 2.499 380 I HA -0.079 4.091 4.170 0.000 0.000 0.243 380 I C 0.538 176.670 176.117 0.025 0.000 1.085 380 I CA 0.453 61.805 61.300 0.088 0.000 1.422 380 I CB -0.832 37.268 38.000 0.168 0.000 1.165 380 I HN 0.021 nan 8.210 nan 0.000 0.440 381 D N 1.713 122.134 120.400 0.034 0.000 2.697 381 D HA -0.192 4.449 4.640 0.000 0.000 0.235 381 D C -0.513 175.769 176.300 -0.031 0.000 1.167 381 D CA 0.496 54.504 54.000 0.012 0.000 0.656 381 D CB -0.999 39.807 40.800 0.010 0.000 1.025 381 D HN 0.173 nan 8.370 nan 0.000 0.419 382 L N -0.024 121.156 121.223 -0.072 0.000 2.303 382 L HA 0.456 4.796 4.340 0.000 0.000 0.266 382 L C 0.520 177.323 176.870 -0.113 0.000 1.011 382 L CA -1.146 53.605 54.840 -0.148 0.000 0.818 382 L CB 1.448 43.298 42.059 -0.349 0.000 1.326 382 L HN -0.134 nan 8.230 nan 0.000 0.435 383 D N 1.463 121.798 120.400 -0.109 0.000 2.517 383 D HA 0.224 4.864 4.640 0.000 0.000 0.220 383 D C -0.777 175.447 176.300 -0.127 0.000 1.158 383 D CA -0.161 53.799 54.000 -0.068 0.000 0.992 383 D CB 0.465 41.251 40.800 -0.023 0.000 1.058 383 D HN 0.042 nan 8.370 nan 0.000 0.516 384 V N 4.065 123.852 119.914 -0.212 0.000 2.432 384 V HA 0.137 4.257 4.120 0.000 0.000 0.271 384 V C 0.663 176.633 176.094 -0.206 0.000 1.046 384 V CA -0.856 61.226 62.300 -0.363 0.000 0.945 384 V CB 1.454 32.724 31.823 -0.920 0.000 0.992 384 V HN 0.220 nan 8.190 nan 0.000 0.471 385 V N 5.152 125.004 119.914 -0.103 0.000 2.585 385 V HA 0.603 4.723 4.120 0.000 0.000 0.296 385 V C 0.580 176.669 176.094 -0.009 0.000 1.035 385 V CA 0.628 62.905 62.300 -0.039 0.000 1.084 385 V CB 0.697 32.483 31.823 -0.061 0.000 0.953 385 V HN 1.118 nan 8.190 nan 0.000 0.483 386 A N 3.361 126.205 122.820 0.041 0.000 2.610 386 A HA 0.808 5.128 4.320 0.000 0.000 0.291 386 A C 0.727 178.356 177.584 0.075 0.000 1.086 386 A CA 0.202 52.301 52.037 0.103 0.000 0.677 386 A CB 1.149 20.311 19.000 0.270 0.000 1.278 386 A HN 1.847 nan 8.150 nan 0.000 0.414 387 G N -0.035 108.808 108.800 0.073 0.000 3.329 387 G HA2 -0.146 3.814 3.960 0.000 0.000 0.220 387 G HA3 -0.146 3.814 3.960 0.000 0.000 0.220 387 G C 0.179 175.091 174.900 0.020 0.000 1.358 387 G CA 1.511 46.639 45.100 0.048 0.000 0.856 387 G HN 2.120 nan 8.290 nan 0.000 0.551 388 E N 0.078 120.280 120.200 0.005 0.000 2.430 388 E HA 0.604 4.954 4.350 0.000 0.000 0.279 388 E C -3.347 173.216 176.600 -0.061 0.000 1.003 388 E CA -2.215 54.173 56.400 -0.019 0.000 0.801 388 E CB 1.879 31.585 29.700 0.010 0.000 1.313 388 E HN 0.182 nan 8.360 nan 0.000 0.459 389 P HA -0.014 nan 4.420 nan 0.000 0.265 389 P C -0.948 176.239 177.300 -0.190 0.000 1.187 389 P CA 0.013 62.961 63.100 -0.254 0.000 0.766 389 P CB 0.400 31.860 31.700 -0.399 0.000 0.820 390 R N 3.387 123.762 120.500 -0.209 0.000 2.215 390 R HA 0.265 4.605 4.340 0.000 0.000 0.336 390 R C -0.682 175.566 176.300 -0.087 0.000 0.996 390 R CA -0.574 55.491 56.100 -0.059 0.000 0.847 390 R CB 0.042 30.356 30.300 0.023 0.000 1.127 390 R HN 0.420 nan 8.270 nan 0.000 0.465 391 Y N 2.176 122.488 120.300 0.021 0.000 2.335 391 Y HA 0.447 4.997 4.550 -0.000 0.000 0.331 391 Y C 1.123 176.955 175.900 -0.112 0.000 1.094 391 Y CA 0.537 58.630 58.100 -0.011 0.000 1.253 391 Y CB 1.805 40.240 38.460 -0.042 0.000 1.203 391 Y HN 0.728 nan 8.280 nan 0.000 0.508 392 G N 1.440 110.074 108.800 -0.278 0.000 2.677 392 G HA2 0.237 4.197 3.960 0.000 0.000 0.291 392 G HA3 0.237 4.197 3.960 0.000 0.000 0.291 392 G C -1.817 172.466 174.900 -1.028 0.000 1.435 392 G CA -0.923 43.703 45.100 -0.789 0.000 0.826 392 G HN 0.401 nan 8.290 nan 0.000 0.491 393 D N 0.297 120.290 120.400 -0.678 0.000 2.619 393 D HA 0.287 4.927 4.640 0.000 0.000 0.224 393 D C -0.614 175.480 176.300 -0.343 0.000 1.133 393 D CA -0.241 53.521 54.000 -0.396 0.000 1.017 393 D CB -0.438 40.245 40.800 -0.196 0.000 1.077 393 D HN 0.179 nan 8.370 nan 0.000 0.503 394 Y N 1.199 121.487 120.300 -0.020 0.000 2.404 394 Y HA 0.308 4.857 4.550 -0.001 0.000 0.344 394 Y C 1.618 177.485 175.900 -0.055 0.000 0.995 394 Y CA -0.552 57.539 58.100 -0.015 0.000 1.201 394 Y CB 0.902 39.346 38.460 -0.027 0.000 1.151 394 Y HN 0.133 nan 8.280 nan 0.000 0.517 395 R N 1.528 122.051 120.500 0.039 0.000 2.123 395 R HA 0.178 4.519 4.340 0.000 0.000 0.209 395 R C -0.760 175.256 176.300 -0.474 0.000 1.078 395 R CA 0.484 56.432 56.100 -0.254 0.000 1.028 395 R CB 0.377 30.487 30.300 -0.318 0.000 0.939 395 R HN 0.492 nan 8.270 nan 0.000 0.463 396 Y N -0.611 119.776 120.300 0.145 0.000 2.524 396 Y HA 0.694 5.245 4.550 0.002 0.000 0.347 396 Y C -0.524 175.466 175.900 0.149 0.000 1.005 396 Y CA -1.374 56.805 58.100 0.132 0.000 1.025 396 Y CB 2.255 40.769 38.460 0.090 0.000 1.275 396 Y HN -0.029 nan 8.280 nan 0.000 0.460 397 A N 1.157 124.163 122.820 0.310 0.000 2.539 397 A HA 0.873 5.193 4.320 0.000 0.000 0.296 397 A C -1.981 175.698 177.584 0.159 0.000 1.073 397 A CA -0.783 51.379 52.037 0.208 0.000 0.700 397 A CB 1.413 20.557 19.000 0.241 0.000 1.296 397 A HN 0.462 nan 8.150 nan 0.000 0.405 398 V N 1.990 121.927 119.914 0.038 0.000 2.448 398 V HA 0.400 4.520 4.120 0.000 0.000 0.295 398 V C -0.348 175.724 176.094 -0.037 0.000 1.025 398 V CA -0.749 61.560 62.300 0.016 0.000 0.859 398 V CB 1.646 33.456 31.823 -0.021 0.000 0.988 398 V HN 0.883 nan 8.190 nan 0.000 0.431 399 N N 4.397 123.119 118.700 0.037 0.000 2.422 399 N HA 0.307 5.047 4.740 0.000 0.000 0.266 399 N C -0.585 174.871 175.510 -0.090 0.000 1.007 399 N CA -0.235 52.799 53.050 -0.027 0.000 0.941 399 N CB 0.779 39.303 38.487 0.062 0.000 1.115 399 N HN 0.620 nan 8.380 nan 0.000 0.492 400 N N 1.237 119.821 118.700 -0.195 0.000 2.473 400 N HA 0.354 5.095 4.740 0.000 0.000 0.291 400 N C -1.274 173.921 175.510 -0.524 0.000 1.083 400 N CA -0.263 52.545 53.050 -0.403 0.000 0.951 400 N CB 1.543 39.696 38.487 -0.557 0.000 1.164 400 N HN 0.434 nan 8.380 nan 0.000 0.480 401 S N 1.532 116.816 115.700 -0.694 0.000 2.689 401 S HA 0.607 5.077 4.470 0.000 0.000 0.274 401 S C -1.775 172.403 174.600 -0.704 0.000 1.176 401 S CA -0.593 57.226 58.200 -0.636 0.000 1.014 401 S CB -0.120 62.944 63.200 -0.227 0.000 1.071 401 S HN 0.268 nan 8.310 nan 0.000 0.478 402 F N 1.856 121.184 119.950 -1.036 0.000 2.538 402 F HA 0.844 5.371 4.527 -0.001 0.000 0.325 402 F C 0.911 176.367 175.800 -0.574 0.000 1.066 402 F CA -1.105 56.512 58.000 -0.639 0.000 0.946 402 F CB 1.890 40.598 39.000 -0.486 0.000 1.199 402 F HN 0.623 nan 8.300 nan 0.000 0.473 403 G N 0.709 109.485 108.800 -0.040 0.000 2.571 403 G HA2 0.576 4.536 3.960 0.000 0.000 0.304 403 G HA3 0.576 4.536 3.960 0.000 0.000 0.304 403 G C -1.437 173.491 174.900 0.046 0.000 1.314 403 G CA -0.751 44.336 45.100 -0.021 0.000 0.975 403 G HN 0.277 nan 8.290 nan 0.000 0.485 404 F N 0.771 120.872 119.950 0.252 0.000 2.623 404 F HA 0.292 4.820 4.527 0.001 0.000 0.381 404 F C 1.713 177.657 175.800 0.239 0.000 1.081 404 F CA 1.860 60.003 58.000 0.239 0.000 1.293 404 F CB 0.572 39.735 39.000 0.272 0.000 1.006 404 F HN 0.996 nan 8.300 nan 0.000 0.578 405 G N 0.534 109.502 108.800 0.281 0.000 2.213 405 G HA2 0.099 4.059 3.960 0.000 0.000 0.226 405 G HA3 0.099 4.059 3.960 0.000 0.000 0.226 405 G C 0.842 175.540 174.900 -0.337 0.000 0.992 405 G CA 0.001 45.106 45.100 0.008 0.000 0.632 405 G HN 1.954 nan 8.290 nan 0.000 0.511 406 G N -0.098 108.586 108.800 -0.192 0.000 2.212 406 G HA2 -0.184 3.776 3.960 0.000 0.000 0.255 406 G HA3 -0.184 3.776 3.960 0.000 0.000 0.255 406 G C -0.084 174.647 174.900 -0.283 0.000 1.062 406 G CA 0.564 45.551 45.100 -0.187 0.000 0.815 406 G HN 1.355 nan 8.290 nan 0.000 0.497 407 H N 0.688 119.781 119.070 0.039 0.000 2.552 407 H HA 0.352 4.908 4.556 0.000 0.000 0.311 407 H C -0.066 175.287 175.328 0.042 0.000 1.071 407 H CA -0.459 55.612 56.048 0.038 0.000 1.307 407 H CB 0.815 30.610 29.762 0.055 0.000 1.416 407 H HN 0.250 nan 8.280 nan 0.000 0.464 408 N N 3.037 121.814 118.700 0.129 0.000 2.407 408 N HA 0.257 4.997 4.740 0.000 0.000 0.277 408 N C -0.652 174.957 175.510 0.166 0.000 0.995 408 N CA -0.466 52.690 53.050 0.175 0.000 0.903 408 N CB 2.852 41.312 38.487 -0.045 0.000 1.218 408 N HN 0.216 nan 8.380 nan 0.000 0.487 409 V N 0.729 120.754 119.914 0.184 0.000 2.531 409 V HA 0.784 4.904 4.120 0.000 0.000 0.301 409 V C -0.373 175.735 176.094 0.023 0.000 1.034 409 V CA -0.921 61.411 62.300 0.054 0.000 0.865 409 V CB 1.589 33.410 31.823 -0.003 0.000 0.995 409 V HN 0.770 nan 8.190 nan 0.000 0.424 410 A N 5.782 128.596 122.820 -0.009 0.000 2.356 410 A HA 0.936 5.256 4.320 0.000 0.000 0.310 410 A C -1.127 176.384 177.584 -0.121 0.000 1.075 410 A CA -0.509 51.503 52.037 -0.041 0.000 0.746 410 A CB 1.134 20.133 19.000 -0.002 0.000 1.221 410 A HN 0.793 nan 8.150 nan 0.000 0.443 411 L N 2.025 123.176 121.223 -0.120 0.000 2.333 411 L HA 0.704 5.044 4.340 0.000 0.000 0.280 411 L C 0.364 177.098 176.870 -0.226 0.000 1.004 411 L CA -0.649 54.038 54.840 -0.255 0.000 0.820 411 L CB 2.061 43.998 42.059 -0.202 0.000 1.247 411 L HN 0.786 nan 8.230 nan 0.000 0.416 412 A N 3.677 126.267 122.820 -0.383 0.000 2.260 412 A HA 0.784 5.104 4.320 0.000 0.000 0.308 412 A C -1.056 176.326 177.584 -0.337 0.000 1.254 412 A CA -0.168 51.730 52.037 -0.231 0.000 0.874 412 A CB 0.138 19.013 19.000 -0.208 0.000 1.153 412 A HN 0.512 nan 8.150 nan 0.000 0.527 413 F N 1.147 121.098 119.950 0.003 0.000 2.538 413 F HA 0.698 5.225 4.527 0.000 0.000 0.325 413 F C 0.850 176.736 175.800 0.144 0.000 1.066 413 F CA -0.213 57.813 58.000 0.042 0.000 0.946 413 F CB 2.741 41.755 39.000 0.022 0.000 1.199 413 F HN 0.702 nan 8.300 nan 0.000 0.473 414 G N 1.084 110.088 108.800 0.341 0.000 2.519 414 G HA2 0.500 4.460 3.960 0.000 0.000 0.307 414 G HA3 0.500 4.460 3.960 0.000 0.000 0.307 414 G C -1.569 173.405 174.900 0.124 0.000 1.266 414 G CA -1.060 44.174 45.100 0.224 0.000 0.970 414 G HN 0.647 nan 8.290 nan 0.000 0.481 415 R N 0.168 120.656 120.500 -0.019 0.000 2.623 415 R HA 0.172 4.512 4.340 0.000 0.000 0.271 415 R C -0.604 175.742 176.300 0.076 0.000 1.043 415 R CA -0.275 55.836 56.100 0.019 0.000 1.083 415 R CB 0.304 30.574 30.300 -0.051 0.000 0.974 415 R HN 0.603 nan 8.270 nan 0.000 0.436 416 Y N 0.000 120.301 120.300 0.001 0.000 2.660 416 Y HA 0.000 4.550 4.550 0.001 0.000 0.201 416 Y CA 0.000 58.108 58.100 0.013 0.000 1.940 416 Y CB 0.000 38.475 38.460 0.024 0.000 1.050 416 Y HN 0.000 nan 8.280 nan 0.000 0.758