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 2wgg_1_E DATA FIRST_RESID 2 DATA SEQUENCE SQPSTANGGF PSVVVTAVTA TTSISPDIES TWKGLLAGES GIHALEDEFV DATA SEQUENCE TKWDLAVKIG GHLKDPVDSH MGRLDMRRMS YVQRMGKLLG GQLWESAGSP DATA SEQUENCE EVDPDRFAVV VGTGLGGAER IVESYDLMNA GGPRKVSPLA VQMIMPNGAA DATA SEQUENCE AVIGLQLGAR AGVMTPVSAQ SSGSEAIAHA WRQIVMGDAD VAVCGGVEGP DATA SEQUENCE IEALPIAAFS MMRAMSTRND EPERASRPFD KDRDGFVFGE AGALMLIETE DATA SEQUENCE EHAKARGAKP LARLLGAGIT SDAFHMVAPA ADGVRAGRAM TRSLELAGLS DATA SEQUENCE PADIDHVNAH GTATPIGDAA EANAIRVAGC DQAAVYAPKS ALGHSIGAVG DATA SEQUENCE ALESVLTVLT LRDGVIPPTL NYETPDPEID LDVVAGEPRY GDYRYAVNNS DATA SEQUENCE FGFGGHNVAL AFGRY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.572 174.600 -0.047 0.000 1.055 2 S CA 0.000 58.182 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 4.731 124.505 119.800 -0.043 0.000 2.262 3 Q HA 0.140 4.476 4.340 -0.006 0.000 0.298 3 Q C -2.028 173.895 176.000 -0.128 0.000 1.083 3 Q CA -0.607 55.163 55.803 -0.056 0.000 0.962 3 Q CB -0.332 28.392 28.738 -0.025 0.000 1.104 3 Q HN 0.484 nan 8.270 nan 0.000 0.376 4 P HA 0.008 nan 4.420 nan 0.000 0.269 4 P C -0.555 176.330 177.300 -0.693 0.000 1.215 4 P CA 0.040 62.870 63.100 -0.449 0.000 0.780 4 P CB 0.958 32.320 31.700 -0.564 0.000 0.898 5 S N -0.420 114.915 115.700 -0.608 0.000 2.671 5 S HA 0.357 4.824 4.470 -0.006 0.000 0.277 5 S C 1.020 175.513 174.600 -0.178 0.000 1.165 5 S CA -0.460 57.506 58.200 -0.390 0.000 0.822 5 S CB 0.846 63.970 63.200 -0.127 0.000 1.150 5 S HN 0.317 nan 8.310 nan 0.000 0.479 6 T N 1.486 116.129 114.554 0.149 0.000 2.746 6 T HA -0.019 4.327 4.350 -0.006 0.000 0.267 6 T C 2.054 176.813 174.700 0.099 0.000 1.039 6 T CA 1.899 64.132 62.100 0.221 0.000 1.142 6 T CB -0.872 68.171 68.868 0.291 0.000 0.866 6 T HN 0.886 nan 8.240 nan 0.000 0.444 7 A N 2.564 125.413 122.820 0.048 0.000 2.014 7 A HA -0.067 4.249 4.320 -0.006 0.000 0.218 7 A C 1.893 179.480 177.584 0.006 0.000 1.163 7 A CA 1.500 53.554 52.037 0.029 0.000 0.652 7 A CB -0.477 18.524 19.000 0.002 0.000 0.808 7 A HN 0.654 nan 8.150 nan 0.000 0.449 8 N N -1.592 117.091 118.700 -0.028 0.000 2.270 8 N HA 0.284 5.020 4.740 -0.006 0.000 0.198 8 N C 0.963 176.450 175.510 -0.039 0.000 1.117 8 N CA 0.997 54.023 53.050 -0.040 0.000 0.845 8 N CB -0.085 38.363 38.487 -0.066 0.000 0.980 8 N HN 0.600 nan 8.380 nan 0.000 0.486 9 G N -1.221 107.569 108.800 -0.016 0.000 2.205 9 G HA2 -0.301 3.655 3.960 -0.006 0.000 0.261 9 G HA3 -0.301 3.655 3.960 -0.006 0.000 0.261 9 G C 1.104 175.995 174.900 -0.015 0.000 0.980 9 G CA 0.346 45.449 45.100 0.006 0.000 0.632 9 G HN 0.678 nan 8.290 nan 0.000 0.533 10 G N -0.281 108.454 108.800 -0.108 0.000 2.422 10 G HA2 0.204 4.160 3.960 -0.006 0.000 0.218 10 G HA3 0.204 4.160 3.960 -0.006 0.000 0.218 10 G C 0.551 175.411 174.900 -0.067 0.000 1.146 10 G CA 1.102 46.093 45.100 -0.181 0.000 0.769 10 G HN 0.452 nan 8.290 nan 0.000 0.547 11 F N 1.747 121.711 119.950 0.023 0.000 2.421 11 F HA 0.446 4.975 4.527 0.003 0.000 0.337 11 F C -1.824 173.985 175.800 0.014 0.000 1.105 11 F CA -3.996 54.002 58.000 -0.003 0.000 1.049 11 F CB 1.418 40.444 39.000 0.044 0.000 1.139 11 F HN -0.142 nan 8.300 nan 0.000 0.479 12 P HA 0.046 nan 4.420 nan 0.000 0.269 12 P C -0.384 177.002 177.300 0.143 0.000 1.215 12 P CA -0.161 63.005 63.100 0.111 0.000 0.780 12 P CB 0.713 32.439 31.700 0.043 0.000 0.898 13 S N 0.620 116.404 115.700 0.140 0.000 2.533 13 S HA 0.220 4.687 4.470 -0.006 0.000 0.282 13 S C 0.166 174.857 174.600 0.152 0.000 1.304 13 S CA -0.308 57.993 58.200 0.168 0.000 1.063 13 S CB -0.010 63.284 63.200 0.158 0.000 0.881 13 S HN 0.195 nan 8.310 nan 0.000 0.493 14 V N 4.838 124.868 119.914 0.194 0.000 2.540 14 V HA 0.624 4.741 4.120 -0.006 0.000 0.302 14 V C -0.178 176.021 176.094 0.175 0.000 1.035 14 V CA -0.688 61.719 62.300 0.178 0.000 0.873 14 V CB 1.737 33.715 31.823 0.258 0.000 0.992 14 V HN 0.726 nan 8.190 nan 0.000 0.428 15 V N 2.690 122.678 119.914 0.124 0.000 2.914 15 V HA 0.774 4.890 4.120 -0.006 0.000 0.314 15 V C -0.529 175.610 176.094 0.074 0.000 1.084 15 V CA -0.889 61.465 62.300 0.091 0.000 0.963 15 V CB 1.976 33.799 31.823 0.000 0.000 1.025 15 V HN 0.456 nan 8.190 nan 0.000 0.432 16 V N 3.255 123.212 119.914 0.072 0.000 2.432 16 V HA 0.475 4.591 4.120 -0.006 0.000 0.275 16 V C 1.261 177.340 176.094 -0.024 0.000 1.043 16 V CA 0.657 62.991 62.300 0.057 0.000 0.925 16 V CB 1.046 32.921 31.823 0.086 0.000 0.985 16 V HN 1.204 nan 8.190 nan 0.000 0.466 17 T N 0.422 114.959 114.554 -0.028 0.000 3.004 17 T HA 0.652 4.998 4.350 -0.006 0.000 0.266 17 T C 0.203 174.860 174.700 -0.072 0.000 0.986 17 T CA 0.457 62.514 62.100 -0.071 0.000 0.902 17 T CB 0.635 69.458 68.868 -0.074 0.000 1.118 17 T HN 1.062 nan 8.240 nan 0.000 0.522 18 A N 0.973 123.765 122.820 -0.046 0.000 2.594 18 A HA 0.735 5.052 4.320 -0.006 0.000 0.296 18 A C -1.168 176.401 177.584 -0.025 0.000 1.061 18 A CA -0.527 51.483 52.037 -0.045 0.000 0.689 18 A CB 1.542 20.515 19.000 -0.045 0.000 1.280 18 A HN 1.135 nan 8.150 nan 0.000 0.406 19 V N -1.325 118.568 119.914 -0.036 0.000 2.925 19 V HA 0.976 5.092 4.120 -0.006 0.000 0.311 19 V C -0.510 175.575 176.094 -0.015 0.000 1.104 19 V CA -0.119 62.163 62.300 -0.030 0.000 0.954 19 V CB 1.421 33.199 31.823 -0.075 0.000 1.022 19 V HN 1.446 nan 8.190 nan 0.000 0.427 20 T N 2.128 116.685 114.554 0.005 0.000 2.906 20 T HA 0.923 5.269 4.350 -0.006 0.000 0.295 20 T C -0.714 173.996 174.700 0.017 0.000 1.061 20 T CA 0.250 62.357 62.100 0.012 0.000 1.000 20 T CB 1.615 70.497 68.868 0.023 0.000 1.103 20 T HN 2.179 nan 8.240 nan 0.000 0.486 21 A N 1.687 124.521 122.820 0.023 0.000 2.594 21 A HA 0.687 5.003 4.320 -0.006 0.000 0.296 21 A C -0.680 176.933 177.584 0.049 0.000 1.061 21 A CA -0.626 51.432 52.037 0.036 0.000 0.689 21 A CB 1.804 20.827 19.000 0.038 0.000 1.280 21 A HN 0.783 nan 8.150 nan 0.000 0.406 22 T N 0.994 115.584 114.554 0.060 0.000 2.824 22 T HA 0.790 5.136 4.350 -0.006 0.000 0.282 22 T C -0.077 174.678 174.700 0.091 0.000 0.993 22 T CA 0.510 62.656 62.100 0.076 0.000 0.967 22 T CB 0.913 69.828 68.868 0.079 0.000 0.960 22 T HN 1.890 nan 8.240 nan 0.000 0.441 23 T N 0.254 114.868 114.554 0.100 0.000 2.804 23 T HA 0.456 4.802 4.350 -0.006 0.000 0.290 23 T C 1.525 176.299 174.700 0.122 0.000 1.099 23 T CA 0.044 62.208 62.100 0.106 0.000 1.011 23 T CB 0.945 69.872 68.868 0.098 0.000 1.291 23 T HN 0.539 nan 8.240 nan 0.000 0.523 24 S N -0.205 115.572 115.700 0.127 0.000 2.447 24 S HA -0.002 4.464 4.470 -0.006 0.000 0.233 24 S C 1.773 176.454 174.600 0.136 0.000 1.006 24 S CA 0.593 58.886 58.200 0.154 0.000 0.957 24 S CB -0.914 62.377 63.200 0.152 0.000 0.773 24 S HN 0.615 nan 8.310 nan 0.000 0.507 25 I N 0.261 120.897 120.570 0.111 0.000 2.429 25 I HA 0.130 4.296 4.170 -0.006 0.000 0.247 25 I C 1.263 177.432 176.117 0.086 0.000 1.099 25 I CA 0.607 61.963 61.300 0.094 0.000 1.422 25 I CB 0.117 38.169 38.000 0.087 0.000 1.112 25 I HN 0.360 nan 8.210 nan 0.000 0.430 26 S N -0.790 114.965 115.700 0.091 0.000 2.565 26 S HA 0.374 4.840 4.470 -0.006 0.000 0.269 26 S C -2.301 172.352 174.600 0.089 0.000 1.153 26 S CA -1.070 57.181 58.200 0.084 0.000 0.835 26 S CB 1.876 65.123 63.200 0.080 0.000 1.122 26 S HN -0.167 nan 8.310 nan 0.000 0.462 27 P HA 0.162 nan 4.420 nan 0.000 0.240 27 P C -0.385 176.951 177.300 0.060 0.000 1.190 27 P CA 0.421 63.571 63.100 0.082 0.000 0.781 27 P CB -0.094 31.666 31.700 0.100 0.000 0.931 28 D N 0.394 120.832 120.400 0.062 0.000 2.329 28 D HA 0.086 4.722 4.640 -0.006 0.000 0.232 28 D C 1.057 177.398 176.300 0.067 0.000 1.088 28 D CA -0.682 53.350 54.000 0.053 0.000 0.835 28 D CB 1.059 41.891 40.800 0.053 0.000 1.078 28 D HN -0.248 nan 8.370 nan 0.000 0.495 29 I N 4.109 124.713 120.570 0.055 0.000 2.264 29 I HA -0.222 3.944 4.170 -0.006 0.000 0.248 29 I C 1.700 177.880 176.117 0.105 0.000 1.111 29 I CA 1.631 62.971 61.300 0.067 0.000 1.382 29 I CB 0.056 38.069 38.000 0.022 0.000 1.060 29 I HN 0.422 nan 8.210 nan 0.000 0.418 30 E N 0.086 120.339 120.200 0.088 0.000 2.106 30 E HA -0.119 4.227 4.350 -0.006 0.000 0.192 30 E C 2.335 179.037 176.600 0.169 0.000 0.984 30 E CA 1.364 57.843 56.400 0.132 0.000 0.806 30 E CB -0.367 29.384 29.700 0.085 0.000 0.750 30 E HN 0.491 nan 8.360 nan 0.000 0.458 31 S N 0.585 116.355 115.700 0.117 0.000 2.368 31 S HA -0.102 4.364 4.470 -0.006 0.000 0.224 31 S C 2.128 176.794 174.600 0.110 0.000 1.029 31 S CA 1.382 59.642 58.200 0.099 0.000 0.988 31 S CB -0.330 62.914 63.200 0.073 0.000 0.838 31 S HN 0.268 nan 8.310 nan 0.000 0.462 32 T N 1.366 115.997 114.554 0.130 0.000 2.684 32 T HA -0.166 4.180 4.350 -0.006 0.000 0.267 32 T C 1.317 176.132 174.700 0.192 0.000 1.036 32 T CA 1.212 63.398 62.100 0.144 0.000 1.148 32 T CB -0.360 68.596 68.868 0.147 0.000 0.863 32 T HN 0.604 nan 8.240 nan 0.000 0.436 33 W N 2.090 123.399 121.300 0.015 0.000 2.335 33 W HA -0.184 4.473 4.660 -0.006 0.000 0.311 33 W C 2.078 178.593 176.519 -0.007 0.000 1.213 33 W CA 1.320 58.664 57.345 -0.001 0.000 1.274 33 W CB -0.160 29.293 29.460 -0.011 0.000 1.148 33 W HN 0.273 nan 8.180 nan 0.000 0.498 34 K N -0.255 120.161 120.400 0.027 0.000 2.032 34 K HA -0.160 4.156 4.320 -0.006 0.000 0.209 34 K C 2.311 178.852 176.600 -0.098 0.000 1.048 34 K CA 1.628 57.869 56.287 -0.077 0.000 0.927 34 K CB -1.019 31.492 32.500 0.018 0.000 0.712 34 K HN 0.237 nan 8.250 nan 0.000 0.441 35 G N 1.818 110.601 108.800 -0.029 0.000 2.459 35 G HA2 -0.258 3.699 3.960 -0.006 0.000 0.217 35 G HA3 -0.258 3.699 3.960 -0.006 0.000 0.217 35 G C 1.537 176.405 174.900 -0.054 0.000 1.183 35 G CA 0.870 45.958 45.100 -0.020 0.000 0.776 35 G HN 0.100 nan 8.290 nan 0.000 0.552 36 L N 0.013 121.195 121.223 -0.068 0.000 1.990 36 L HA -0.137 4.199 4.340 -0.006 0.000 0.213 36 L C 2.951 179.685 176.870 -0.227 0.000 1.072 36 L CA 0.981 55.758 54.840 -0.105 0.000 0.755 36 L CB -0.594 41.415 42.059 -0.084 0.000 0.889 36 L HN 0.181 nan 8.230 nan 0.000 0.432 37 L N -0.319 120.670 121.223 -0.390 0.000 2.127 37 L HA -0.203 4.133 4.340 -0.006 0.000 0.211 37 L C 2.645 179.391 176.870 -0.207 0.000 1.089 37 L CA 1.073 55.674 54.840 -0.398 0.000 0.757 37 L CB -0.729 41.030 42.059 -0.501 0.000 0.899 37 L HN 0.278 nan 8.230 nan 0.000 0.434 38 A N -0.337 122.399 122.820 -0.140 0.000 2.206 38 A HA 0.233 4.549 4.320 -0.006 0.000 0.211 38 A C 1.745 179.299 177.584 -0.049 0.000 1.158 38 A CA 0.775 52.769 52.037 -0.073 0.000 0.761 38 A CB -0.534 18.438 19.000 -0.047 0.000 0.801 38 A HN 0.538 nan 8.150 nan 0.000 0.473 39 G N -0.321 108.445 108.800 -0.057 0.000 2.160 39 G HA2 -0.224 3.732 3.960 -0.006 0.000 0.244 39 G HA3 -0.224 3.732 3.960 -0.006 0.000 0.244 39 G C -0.210 174.692 174.900 0.002 0.000 1.022 39 G CA 0.297 45.385 45.100 -0.021 0.000 0.741 39 G HN 0.657 nan 8.290 nan 0.000 0.508 40 E N 0.071 120.271 120.200 0.001 0.000 2.374 40 E HA 0.516 4.862 4.350 -0.006 0.000 0.260 40 E C 0.307 176.930 176.600 0.037 0.000 1.101 40 E CA 0.318 56.730 56.400 0.020 0.000 0.907 40 E CB 1.282 30.995 29.700 0.021 0.000 1.014 40 E HN 0.281 nan 8.360 nan 0.000 0.427 41 S N 0.120 115.847 115.700 0.046 0.000 2.500 41 S HA 0.450 4.917 4.470 -0.006 0.000 0.301 41 S C 0.590 175.234 174.600 0.074 0.000 1.092 41 S CA -0.435 57.798 58.200 0.055 0.000 1.030 41 S CB 1.548 64.777 63.200 0.048 0.000 1.031 41 S HN 0.590 nan 8.310 nan 0.000 0.483 42 G N 3.088 111.937 108.800 0.082 0.000 2.813 42 G HA2 0.161 4.117 3.960 -0.006 0.000 0.209 42 G HA3 0.161 4.117 3.960 -0.006 0.000 0.209 42 G C 0.400 175.391 174.900 0.152 0.000 1.150 42 G CA 0.048 45.219 45.100 0.118 0.000 0.785 42 G HN 0.636 nan 8.290 nan 0.000 0.535 43 I N 1.937 122.556 120.570 0.081 0.000 2.474 43 I HA 0.346 4.512 4.170 -0.006 0.000 0.287 43 I C 0.393 176.541 176.117 0.052 0.000 1.048 43 I CA -0.746 60.554 61.300 -0.000 0.000 1.383 43 I CB 0.172 38.157 38.000 -0.025 0.000 1.412 43 I HN 0.418 nan 8.210 nan 0.000 0.531 44 H N 3.002 122.072 119.070 0.001 0.000 2.959 44 H HA 0.846 5.399 4.556 -0.006 0.000 0.296 44 H C -0.646 174.675 175.328 -0.013 0.000 1.421 44 H CA -1.181 54.867 56.048 0.001 0.000 1.206 44 H CB 0.813 30.584 29.762 0.014 0.000 1.891 44 H HN 0.599 nan 8.280 nan 0.000 0.573 45 A N 1.074 123.986 122.820 0.155 0.000 2.401 45 A HA 0.396 4.712 4.320 -0.006 0.000 0.259 45 A C -0.189 177.479 177.584 0.141 0.000 1.103 45 A CA -0.680 51.406 52.037 0.081 0.000 0.789 45 A CB -0.269 18.772 19.000 0.069 0.000 1.035 45 A HN 0.570 nan 8.150 nan 0.000 0.491 46 L N 2.311 123.545 121.223 0.019 0.000 2.361 46 L HA 0.195 4.531 4.340 -0.006 0.000 0.278 46 L C 0.761 177.632 176.870 0.002 0.000 1.113 46 L CA -0.095 54.748 54.840 0.004 0.000 0.849 46 L CB 0.596 42.611 42.059 -0.074 0.000 1.155 46 L HN 0.759 nan 8.230 nan 0.000 0.452 47 E N 1.124 121.353 120.200 0.047 0.000 2.526 47 E HA 0.079 4.425 4.350 -0.006 0.000 0.208 47 E C -0.524 176.032 176.600 -0.074 0.000 0.997 47 E CA -0.070 56.329 56.400 -0.002 0.000 0.961 47 E CB 0.317 30.037 29.700 0.033 0.000 1.030 47 E HN 0.654 nan 8.360 nan 0.000 0.483 48 D N 1.171 121.469 120.400 -0.170 0.000 2.417 48 D HA -0.025 4.611 4.640 -0.006 0.000 0.250 48 D C 1.083 177.164 176.300 -0.366 0.000 1.166 48 D CA 0.130 53.938 54.000 -0.319 0.000 0.881 48 D CB 0.921 41.327 40.800 -0.657 0.000 1.164 48 D HN -0.204 nan 8.370 nan 0.000 0.467 49 E N 1.517 121.626 120.200 -0.151 0.000 2.396 49 E HA -0.154 4.192 4.350 -0.006 0.000 0.200 49 E C 1.264 177.851 176.600 -0.022 0.000 1.023 49 E CA 0.505 56.861 56.400 -0.074 0.000 0.857 49 E CB -0.241 29.445 29.700 -0.023 0.000 0.775 49 E HN 0.651 nan 8.360 nan 0.000 0.525 50 F N -1.948 118.058 119.950 0.092 0.000 2.494 50 F HA -0.027 4.496 4.527 -0.006 0.000 0.298 50 F C 1.513 177.439 175.800 0.210 0.000 1.106 50 F CA 0.329 58.420 58.000 0.152 0.000 1.452 50 F CB -0.946 38.267 39.000 0.355 0.000 1.085 50 F HN -0.103 nan 8.300 nan 0.000 0.569 51 V N 1.188 121.159 119.914 0.093 0.000 2.323 51 V HA -0.239 3.877 4.120 -0.006 0.000 0.244 51 V C 2.677 178.859 176.094 0.147 0.000 1.041 51 V CA 2.370 64.769 62.300 0.165 0.000 1.025 51 V CB -1.264 30.546 31.823 -0.021 0.000 0.656 51 V HN 0.594 nan 8.190 nan 0.000 0.451 52 T N -1.317 113.271 114.554 0.057 0.000 2.857 52 T HA -0.222 4.124 4.350 -0.006 0.000 0.266 52 T C 1.862 176.564 174.700 0.003 0.000 1.048 52 T CA 1.473 63.592 62.100 0.031 0.000 1.139 52 T CB -0.292 68.575 68.868 -0.002 0.000 0.874 52 T HN 0.421 nan 8.240 nan 0.000 0.455 53 K N 0.053 120.426 120.400 -0.046 0.000 2.103 53 K HA -0.117 4.199 4.320 -0.006 0.000 0.207 53 K C 1.286 177.659 176.600 -0.378 0.000 1.048 53 K CA 1.412 57.549 56.287 -0.251 0.000 0.930 53 K CB -0.193 32.106 32.500 -0.335 0.000 0.716 53 K HN 0.613 nan 8.250 nan 0.000 0.444 54 W N 0.658 122.039 121.300 0.135 0.000 3.127 54 W HA 0.128 4.784 4.660 -0.006 0.000 0.344 54 W C -0.312 176.259 176.519 0.086 0.000 1.151 54 W CA -0.585 56.825 57.345 0.108 0.000 1.765 54 W CB 0.531 30.067 29.460 0.125 0.000 1.085 54 W HN 0.139 nan 8.180 nan 0.000 0.596 55 D N 1.730 122.273 120.400 0.239 0.000 2.802 55 D HA -0.204 4.432 4.640 -0.006 0.000 0.229 55 D C -0.237 176.174 176.300 0.185 0.000 1.203 55 D CA 0.643 54.742 54.000 0.165 0.000 0.712 55 D CB -0.912 39.957 40.800 0.114 0.000 0.973 55 D HN 0.092 nan 8.370 nan 0.000 0.407 56 L N 0.318 121.675 121.223 0.224 0.000 2.426 56 L HA 0.328 4.664 4.340 -0.006 0.000 0.271 56 L C 1.930 178.867 176.870 0.111 0.000 1.169 56 L CA 0.131 55.085 54.840 0.190 0.000 0.836 56 L CB 0.831 43.043 42.059 0.255 0.000 1.112 56 L HN 0.320 nan 8.230 nan 0.000 0.465 57 A N 3.502 126.365 122.820 0.072 0.000 2.014 57 A HA 0.046 4.362 4.320 -0.006 0.000 0.218 57 A C 0.718 178.311 177.584 0.015 0.000 1.163 57 A CA 0.531 52.588 52.037 0.033 0.000 0.652 57 A CB -0.055 18.952 19.000 0.011 0.000 0.808 57 A HN 0.393 nan 8.150 nan 0.000 0.449 58 V N 0.539 120.466 119.914 0.022 0.000 2.407 58 V HA 0.246 4.362 4.120 -0.006 0.000 0.278 58 V C 0.316 176.434 176.094 0.041 0.000 1.037 58 V CA -0.195 62.103 62.300 -0.003 0.000 0.900 58 V CB 1.218 33.014 31.823 -0.045 0.000 0.983 58 V HN 0.439 nan 8.190 nan 0.000 0.459 59 K N 5.290 125.697 120.400 0.011 0.000 2.592 59 K HA 0.442 4.759 4.320 -0.006 0.000 0.203 59 K C -0.292 176.296 176.600 -0.019 0.000 1.070 59 K CA -0.045 56.252 56.287 0.016 0.000 1.062 59 K CB 0.584 33.095 32.500 0.017 0.000 0.814 59 K HN 0.757 nan 8.250 nan 0.000 0.502 60 I N -3.556 116.986 120.570 -0.046 0.000 2.934 60 I HA 0.866 5.032 4.170 -0.006 0.000 0.306 60 I C -0.165 175.867 176.117 -0.141 0.000 1.110 60 I CA -1.025 60.215 61.300 -0.099 0.000 1.019 60 I CB 2.407 40.359 38.000 -0.081 0.000 1.227 60 I HN 0.015 nan 8.210 nan 0.000 0.434 61 G N 1.534 110.167 108.800 -0.279 0.000 2.315 61 G HA2 0.505 4.462 3.960 -0.006 0.000 0.294 61 G HA3 0.505 4.462 3.960 -0.006 0.000 0.294 61 G C -1.468 173.102 174.900 -0.549 0.000 1.300 61 G CA -0.288 44.650 45.100 -0.271 0.000 0.843 61 G HN 1.027 nan 8.290 nan 0.000 0.527 62 G N -0.022 108.598 108.800 -0.300 0.000 2.866 62 G HA2 0.550 4.506 3.960 -0.006 0.000 0.318 62 G HA3 0.550 4.506 3.960 -0.006 0.000 0.318 62 G C -0.491 174.441 174.900 0.053 0.000 1.336 62 G CA -0.453 44.555 45.100 -0.153 0.000 1.067 62 G HN 0.569 nan 8.290 nan 0.000 0.515 63 H N 1.514 120.772 119.070 0.314 0.000 2.771 63 H HA 0.102 4.654 4.556 -0.006 0.000 0.364 63 H C 1.090 176.540 175.328 0.203 0.000 1.133 63 H CA -0.074 56.126 56.048 0.252 0.000 1.423 63 H CB 1.260 31.193 29.762 0.285 0.000 1.425 63 H HN 0.284 nan 8.280 nan 0.000 0.606 64 L N 2.625 124.020 121.223 0.287 0.000 2.578 64 L HA -0.152 4.184 4.340 -0.006 0.000 0.279 64 L C 1.829 178.801 176.870 0.170 0.000 1.227 64 L CA 0.082 55.043 54.840 0.201 0.000 0.900 64 L CB 0.315 42.485 42.059 0.184 0.000 1.144 64 L HN 0.556 nan 8.230 nan 0.000 0.496 65 K N 2.174 122.657 120.400 0.139 0.000 2.032 65 K HA -0.166 4.150 4.320 -0.006 0.000 0.209 65 K C 0.367 177.017 176.600 0.082 0.000 1.048 65 K CA 1.521 57.867 56.287 0.098 0.000 0.927 65 K CB -0.054 32.499 32.500 0.087 0.000 0.712 65 K HN 0.560 nan 8.250 nan 0.000 0.441 66 D N 0.844 121.306 120.400 0.104 0.000 2.461 66 D HA 0.244 4.880 4.640 -0.006 0.000 0.240 66 D C -2.586 173.784 176.300 0.117 0.000 1.094 66 D CA -2.597 51.465 54.000 0.103 0.000 0.868 66 D CB 1.054 41.949 40.800 0.159 0.000 1.062 66 D HN 0.016 nan 8.370 nan 0.000 0.530 67 P HA -0.056 nan 4.420 nan 0.000 0.268 67 P C 1.133 178.500 177.300 0.112 0.000 1.208 67 P CA -0.358 62.797 63.100 0.092 0.000 0.777 67 P CB 1.210 32.934 31.700 0.040 0.000 0.875 68 V N 1.657 121.663 119.914 0.154 0.000 2.358 68 V HA -0.183 3.933 4.120 -0.006 0.000 0.246 68 V C 1.625 177.768 176.094 0.081 0.000 1.047 68 V CA 2.095 64.464 62.300 0.114 0.000 1.035 68 V CB -0.977 30.791 31.823 -0.092 0.000 0.658 68 V HN 0.503 nan 8.190 nan 0.000 0.452 69 D N 0.058 120.492 120.400 0.057 0.000 2.348 69 D HA -0.076 4.560 4.640 -0.006 0.000 0.216 69 D C 2.283 178.571 176.300 -0.020 0.000 0.970 69 D CA 1.245 55.263 54.000 0.030 0.000 0.889 69 D CB -0.174 40.666 40.800 0.066 0.000 0.912 69 D HN 0.595 nan 8.370 nan 0.000 0.524 70 S N -0.469 115.175 115.700 -0.094 0.000 2.469 70 S HA -0.168 4.298 4.470 -0.006 0.000 0.238 70 S C 1.167 175.584 174.600 -0.304 0.000 0.998 70 S CA 0.798 58.865 58.200 -0.222 0.000 0.957 70 S CB -0.498 62.509 63.200 -0.322 0.000 0.764 70 S HN 0.409 nan 8.310 nan 0.000 0.514 71 H N -0.091 118.982 119.070 0.004 0.000 2.542 71 H HA 0.457 5.009 4.556 -0.006 0.000 0.283 71 H C -0.216 175.108 175.328 -0.007 0.000 1.059 71 H CA -0.335 55.713 56.048 -0.000 0.000 1.162 71 H CB 0.264 30.024 29.762 -0.003 0.000 1.539 71 H HN 0.298 nan 8.280 nan 0.000 0.543 72 M N 0.896 120.536 119.600 0.067 0.000 2.311 72 M HA 0.349 4.826 4.480 -0.006 0.000 0.325 72 M C 0.764 177.079 176.300 0.024 0.000 1.061 72 M CA -0.530 54.794 55.300 0.040 0.000 0.957 72 M CB 1.763 34.374 32.600 0.019 0.000 1.646 72 M HN 0.262 nan 8.290 nan 0.000 0.434 73 G N 2.016 110.829 108.800 0.021 0.000 2.621 73 G HA2 0.346 4.302 3.960 -0.006 0.000 0.271 73 G HA3 0.346 4.302 3.960 -0.006 0.000 0.271 73 G C 0.772 175.679 174.900 0.012 0.000 1.236 73 G CA -0.402 44.708 45.100 0.016 0.000 0.958 73 G HN 0.805 nan 8.290 nan 0.000 0.512 74 R N -0.941 119.565 120.500 0.011 0.000 2.081 74 R HA -0.039 4.297 4.340 -0.006 0.000 0.235 74 R C 2.547 178.853 176.300 0.010 0.000 1.131 74 R CA 1.034 57.140 56.100 0.011 0.000 0.960 74 R CB -0.348 29.958 30.300 0.010 0.000 0.856 74 R HN 0.427 nan 8.270 nan 0.000 0.436 75 L N 0.327 121.555 121.223 0.008 0.000 2.072 75 L HA -0.147 4.189 4.340 -0.006 0.000 0.205 75 L C 1.684 178.557 176.870 0.005 0.000 1.079 75 L CA 1.024 55.868 54.840 0.006 0.000 0.752 75 L CB -0.430 41.631 42.059 0.004 0.000 0.906 75 L HN 0.105 nan 8.230 nan 0.000 0.436 76 D N -0.176 120.226 120.400 0.004 0.000 2.178 76 D HA -0.172 4.464 4.640 -0.006 0.000 0.201 76 D C 2.245 178.547 176.300 0.003 0.000 0.980 76 D CA 1.102 55.102 54.000 -0.001 0.000 0.842 76 D CB -0.047 40.750 40.800 -0.004 0.000 0.948 76 D HN 0.160 nan 8.370 nan 0.000 0.472 77 M N -0.182 119.424 119.600 0.011 0.000 2.374 77 M HA -0.036 4.441 4.480 -0.006 0.000 0.264 77 M C 1.763 178.077 176.300 0.023 0.000 1.067 77 M CA 1.067 56.379 55.300 0.020 0.000 1.103 77 M CB -0.382 32.232 32.600 0.023 0.000 1.402 77 M HN 0.001 nan 8.290 nan 0.000 0.444 78 R N -1.014 119.496 120.500 0.017 0.000 2.206 78 R HA 0.125 4.461 4.340 -0.006 0.000 0.198 78 R C 1.856 178.165 176.300 0.014 0.000 0.986 78 R CA 0.393 56.503 56.100 0.017 0.000 1.029 78 R CB 0.427 30.735 30.300 0.013 0.000 0.966 78 R HN 0.302 nan 8.270 nan 0.000 0.487 79 R N -0.801 119.705 120.500 0.010 0.000 2.373 79 R HA 0.313 4.650 4.340 -0.006 0.000 0.221 79 R C 0.184 176.486 176.300 0.004 0.000 0.893 79 R CA 0.246 56.350 56.100 0.006 0.000 1.049 79 R CB 0.758 31.058 30.300 0.001 0.000 1.119 79 R HN 0.037 nan 8.270 nan 0.000 0.535 80 M N 0.422 120.025 119.600 0.005 0.000 2.602 80 M HA 0.290 4.766 4.480 -0.006 0.000 0.312 80 M C 0.001 176.311 176.300 0.018 0.000 1.181 80 M CA -0.810 54.492 55.300 0.002 0.000 0.910 80 M CB 2.262 34.853 32.600 -0.014 0.000 1.723 80 M HN -0.100 nan 8.290 nan 0.000 0.459 81 S N 0.303 116.017 115.700 0.024 0.000 2.645 81 S HA 0.181 4.648 4.470 -0.006 0.000 0.266 81 S C 0.747 175.391 174.600 0.075 0.000 1.258 81 S CA -0.477 57.758 58.200 0.058 0.000 0.990 81 S CB 0.747 63.982 63.200 0.057 0.000 0.967 81 S HN 0.782 nan 8.310 nan 0.000 0.556 82 Y N 1.759 122.065 120.300 0.009 0.000 2.081 82 Y HA -0.229 4.317 4.550 -0.006 0.000 0.280 82 Y C 2.330 178.237 175.900 0.012 0.000 1.163 82 Y CA 2.667 60.775 58.100 0.013 0.000 1.135 82 Y CB -0.864 37.603 38.460 0.012 0.000 0.970 82 Y HN 0.537 nan 8.280 nan 0.000 0.498 83 V N -1.158 118.852 119.914 0.161 0.000 2.594 83 V HA -0.274 3.842 4.120 -0.006 0.000 0.253 83 V C 1.844 177.917 176.094 -0.035 0.000 1.069 83 V CA 2.057 64.399 62.300 0.069 0.000 1.082 83 V CB -0.958 30.930 31.823 0.108 0.000 0.680 83 V HN 0.552 nan 8.190 nan 0.000 0.469 84 Q N 0.258 120.037 119.800 -0.034 0.000 2.049 84 Q HA -0.090 4.246 4.340 -0.006 0.000 0.198 84 Q C 2.570 178.518 176.000 -0.086 0.000 0.971 84 Q CA 1.744 57.518 55.803 -0.049 0.000 0.833 84 Q CB -0.220 28.501 28.738 -0.029 0.000 0.896 84 Q HN 0.630 nan 8.270 nan 0.000 0.434 85 R N 0.493 120.918 120.500 -0.125 0.000 2.094 85 R HA -0.186 4.150 4.340 -0.006 0.000 0.239 85 R C 2.341 178.525 176.300 -0.193 0.000 1.137 85 R CA 1.802 57.808 56.100 -0.156 0.000 0.943 85 R CB -0.511 29.674 30.300 -0.192 0.000 0.850 85 R HN 0.338 nan 8.270 nan 0.000 0.433 86 M N 0.418 119.832 119.600 -0.310 0.000 2.108 86 M HA -0.124 4.352 4.480 -0.006 0.000 0.261 86 M C 2.113 178.352 176.300 -0.102 0.000 1.066 86 M CA 2.282 57.445 55.300 -0.229 0.000 1.107 86 M CB -0.394 32.052 32.600 -0.256 0.000 1.356 86 M HN 0.240 nan 8.290 nan 0.000 0.406 87 G N 0.310 109.062 108.800 -0.080 0.000 2.418 87 G HA2 -0.251 3.705 3.960 -0.006 0.000 0.217 87 G HA3 -0.251 3.705 3.960 -0.006 0.000 0.217 87 G C 1.536 176.410 174.900 -0.043 0.000 1.158 87 G CA 1.135 46.209 45.100 -0.044 0.000 0.771 87 G HN 0.548 nan 8.290 nan 0.000 0.545 88 K N -0.315 120.052 120.400 -0.055 0.000 1.991 88 K HA -0.101 4.216 4.320 -0.006 0.000 0.212 88 K C 2.443 179.020 176.600 -0.039 0.000 1.049 88 K CA 1.441 57.700 56.287 -0.046 0.000 0.932 88 K CB -0.356 32.116 32.500 -0.047 0.000 0.717 88 K HN 0.217 nan 8.250 nan 0.000 0.441 89 L N 1.673 122.866 121.223 -0.050 0.000 1.990 89 L HA -0.202 4.134 4.340 -0.006 0.000 0.213 89 L C 2.065 178.911 176.870 -0.040 0.000 1.072 89 L CA 1.731 56.538 54.840 -0.056 0.000 0.755 89 L CB -0.508 41.509 42.059 -0.069 0.000 0.889 89 L HN 0.279 nan 8.230 nan 0.000 0.432 90 L N -1.070 120.138 121.223 -0.025 0.000 2.093 90 L HA -0.058 4.278 4.340 -0.006 0.000 0.208 90 L C 2.542 179.431 176.870 0.031 0.000 1.085 90 L CA 1.004 55.845 54.840 0.002 0.000 0.755 90 L CB -1.405 40.660 42.059 0.010 0.000 0.904 90 L HN 0.463 nan 8.230 nan 0.000 0.435 91 G N 0.076 108.891 108.800 0.025 0.000 2.421 91 G HA2 -0.202 3.754 3.960 -0.006 0.000 0.216 91 G HA3 -0.202 3.754 3.960 -0.006 0.000 0.216 91 G C 1.609 176.562 174.900 0.087 0.000 1.171 91 G CA 0.767 45.896 45.100 0.049 0.000 0.775 91 G HN 0.469 nan 8.290 nan 0.000 0.543 92 G N 0.075 108.905 108.800 0.050 0.000 2.422 92 G HA2 -0.155 3.802 3.960 -0.006 0.000 0.218 92 G HA3 -0.155 3.802 3.960 -0.006 0.000 0.218 92 G C 1.814 176.777 174.900 0.105 0.000 1.146 92 G CA 1.041 46.187 45.100 0.076 0.000 0.769 92 G HN 0.517 nan 8.290 nan 0.000 0.547 93 Q N -0.752 119.082 119.800 0.057 0.000 2.123 93 Q HA 0.059 4.395 4.340 -0.006 0.000 0.199 93 Q C 2.446 178.490 176.000 0.073 0.000 0.966 93 Q CA 0.826 56.654 55.803 0.041 0.000 0.845 93 Q CB -0.157 28.581 28.738 0.000 0.000 0.907 93 Q HN 0.443 nan 8.270 nan 0.000 0.439 94 L N -0.289 121.001 121.223 0.111 0.000 2.109 94 L HA -0.087 4.249 4.340 -0.006 0.000 0.207 94 L C 1.850 178.826 176.870 0.177 0.000 1.086 94 L CA 1.427 56.342 54.840 0.125 0.000 0.760 94 L CB -0.363 41.785 42.059 0.150 0.000 0.910 94 L HN 0.355 nan 8.230 nan 0.000 0.437 95 W N 0.732 122.030 121.300 -0.003 0.000 2.353 95 W HA -0.253 4.402 4.660 -0.007 0.000 0.319 95 W C 2.402 178.908 176.519 -0.021 0.000 1.207 95 W CA 1.858 59.196 57.345 -0.011 0.000 1.291 95 W CB -0.064 29.397 29.460 0.002 0.000 1.159 95 W HN 0.355 nan 8.180 nan 0.000 0.478 96 E N 0.067 120.333 120.200 0.110 0.000 2.097 96 E HA -0.235 4.111 4.350 -0.006 0.000 0.196 96 E C 2.120 178.684 176.600 -0.060 0.000 1.000 96 E CA 2.088 58.490 56.400 0.004 0.000 0.804 96 E CB -0.344 29.381 29.700 0.041 0.000 0.740 96 E HN 0.019 nan 8.360 nan 0.000 0.454 97 S N -0.090 115.588 115.700 -0.036 0.000 2.383 97 S HA -0.132 4.334 4.470 -0.006 0.000 0.229 97 S C 1.788 176.321 174.600 -0.111 0.000 1.030 97 S CA 1.012 59.178 58.200 -0.056 0.000 1.002 97 S CB -0.099 63.084 63.200 -0.028 0.000 0.829 97 S HN 0.476 nan 8.310 nan 0.000 0.467 98 A N -0.040 122.673 122.820 -0.179 0.000 2.238 98 A HA 0.497 4.813 4.320 -0.006 0.000 0.208 98 A C 1.507 178.898 177.584 -0.322 0.000 1.177 98 A CA 0.787 52.667 52.037 -0.262 0.000 0.804 98 A CB -0.580 18.210 19.000 -0.349 0.000 0.823 98 A HN 0.868 nan 8.150 nan 0.000 0.482 99 G N -1.614 107.013 108.800 -0.287 0.000 2.144 99 G HA2 -0.117 3.839 3.960 -0.006 0.000 0.218 99 G HA3 -0.117 3.839 3.960 -0.006 0.000 0.218 99 G C 0.390 175.102 174.900 -0.313 0.000 0.988 99 G CA 0.163 45.115 45.100 -0.248 0.000 0.659 99 G HN 1.258 nan 8.290 nan 0.000 0.522 100 S N 0.251 115.659 115.700 -0.487 0.000 3.405 100 S HA -0.132 4.334 4.470 -0.006 0.000 0.373 100 S C -1.256 173.053 174.600 -0.485 0.000 0.939 100 S CA 1.000 58.853 58.200 -0.578 0.000 1.295 100 S CB -0.885 62.245 63.200 -0.117 0.000 0.919 100 S HN 1.002 nan 8.310 nan 0.000 0.535 101 P HA 0.243 nan 4.420 nan 0.000 0.275 101 P C -0.201 177.043 177.300 -0.093 0.000 1.228 101 P CA -0.082 62.788 63.100 -0.385 0.000 0.786 101 P CB 0.590 32.017 31.700 -0.455 0.000 0.927 102 E N 1.634 121.824 120.200 -0.017 0.000 2.001 102 E HA 0.222 4.568 4.350 -0.006 0.000 0.279 102 E C 0.211 176.853 176.600 0.070 0.000 1.045 102 E CA -0.460 55.983 56.400 0.073 0.000 0.833 102 E CB 0.833 30.558 29.700 0.041 0.000 1.077 102 E HN 0.278 nan 8.360 nan 0.000 0.397 103 V N -0.259 119.734 119.914 0.132 0.000 2.834 103 V HA 0.353 4.469 4.120 -0.006 0.000 0.313 103 V C 0.289 176.466 176.094 0.139 0.000 1.060 103 V CA -1.161 61.222 62.300 0.139 0.000 0.989 103 V CB 1.890 33.757 31.823 0.074 0.000 1.041 103 V HN 0.286 nan 8.190 nan 0.000 0.459 104 D N 3.717 124.210 120.400 0.155 0.000 2.346 104 D HA 0.261 4.897 4.640 -0.006 0.000 0.260 104 D C -1.424 174.977 176.300 0.168 0.000 1.252 104 D CA -1.907 52.173 54.000 0.133 0.000 0.895 104 D CB 1.611 42.482 40.800 0.118 0.000 1.097 104 D HN 0.424 nan 8.370 nan 0.000 0.489 105 P HA -0.116 nan 4.420 nan 0.000 0.218 105 P C 0.407 177.797 177.300 0.149 0.000 1.148 105 P CA 0.869 64.091 63.100 0.204 0.000 0.822 105 P CB 0.330 32.105 31.700 0.124 0.000 0.784 106 D N -1.035 119.423 120.400 0.097 0.000 2.363 106 D HA -0.017 4.619 4.640 -0.006 0.000 0.226 106 D C 1.276 177.614 176.300 0.062 0.000 1.020 106 D CA 0.517 54.551 54.000 0.057 0.000 0.892 106 D CB -0.065 40.758 40.800 0.039 0.000 0.900 106 D HN 0.148 nan 8.370 nan 0.000 0.531 107 R N 0.049 120.612 120.500 0.106 0.000 2.596 107 R HA 0.149 4.485 4.340 -0.006 0.000 0.369 107 R C -0.393 175.997 176.300 0.150 0.000 1.042 107 R CA -0.439 55.716 56.100 0.091 0.000 1.120 107 R CB 0.288 30.635 30.300 0.077 0.000 1.353 107 R HN 0.011 nan 8.270 nan 0.000 0.564 108 F N 1.469 121.407 119.950 -0.020 0.000 2.427 108 F HA 0.680 5.202 4.527 -0.007 0.000 0.348 108 F C -0.864 174.916 175.800 -0.033 0.000 1.125 108 F CA -2.131 55.856 58.000 -0.021 0.000 0.989 108 F CB 1.087 40.094 39.000 0.011 0.000 1.165 108 F HN 0.006 nan 8.300 nan 0.000 0.442 109 A N 4.738 127.487 122.820 -0.118 0.000 2.322 109 A HA 0.899 5.215 4.320 -0.006 0.000 0.327 109 A C -1.604 175.777 177.584 -0.340 0.000 1.134 109 A CA -0.719 51.161 52.037 -0.261 0.000 0.831 109 A CB 1.693 20.636 19.000 -0.095 0.000 1.288 109 A HN 0.564 nan 8.150 nan 0.000 0.472 110 V N 0.827 120.574 119.914 -0.278 0.000 2.577 110 V HA 0.504 4.621 4.120 -0.006 0.000 0.303 110 V C -1.011 175.028 176.094 -0.091 0.000 1.042 110 V CA -0.392 61.797 62.300 -0.184 0.000 0.872 110 V CB 1.747 33.420 31.823 -0.250 0.000 0.998 110 V HN 0.690 nan 8.190 nan 0.000 0.423 111 V N 5.339 125.238 119.914 -0.026 0.000 2.409 111 V HA 0.609 4.725 4.120 -0.006 0.000 0.290 111 V C -0.621 175.483 176.094 0.016 0.000 1.017 111 V CA -0.571 61.729 62.300 -0.000 0.000 0.841 111 V CB 1.788 33.638 31.823 0.045 0.000 1.003 111 V HN 0.557 nan 8.190 nan 0.000 0.426 112 V N 3.814 123.728 119.914 0.001 0.000 2.524 112 V HA 0.715 4.832 4.120 -0.006 0.000 0.297 112 V C 0.673 176.771 176.094 0.008 0.000 1.035 112 V CA -0.269 62.037 62.300 0.010 0.000 0.867 112 V CB 1.911 33.734 31.823 -0.001 0.000 1.004 112 V HN 0.920 nan 8.190 nan 0.000 0.426 113 G N 3.200 112.011 108.800 0.019 0.000 2.504 113 G HA2 0.734 4.691 3.960 -0.006 0.000 0.288 113 G HA3 0.734 4.691 3.960 -0.006 0.000 0.288 113 G C -0.284 174.627 174.900 0.018 0.000 1.182 113 G CA -0.111 44.998 45.100 0.015 0.000 0.894 113 G HN 0.718 nan 8.290 nan 0.000 0.521 114 T N -1.556 113.008 114.554 0.017 0.000 2.843 114 T HA 0.517 4.863 4.350 -0.006 0.000 0.302 114 T C 1.149 175.866 174.700 0.028 0.000 1.232 114 T CA 0.053 62.169 62.100 0.027 0.000 1.009 114 T CB 1.572 70.456 68.868 0.028 0.000 1.254 114 T HN 0.667 nan 8.240 nan 0.000 0.504 115 G N -0.463 108.359 108.800 0.036 0.000 2.421 115 G HA2 0.158 4.115 3.960 -0.006 0.000 0.217 115 G HA3 0.158 4.115 3.960 -0.006 0.000 0.217 115 G C 0.880 175.809 174.900 0.049 0.000 1.143 115 G CA 0.636 45.766 45.100 0.049 0.000 0.784 115 G HN 0.605 nan 8.290 nan 0.000 0.541 116 L N -2.575 118.671 121.223 0.039 0.000 2.603 116 L HA 0.530 4.867 4.340 -0.006 0.000 0.189 116 L C 1.110 177.993 176.870 0.022 0.000 1.082 116 L CA 0.916 55.775 54.840 0.031 0.000 0.921 116 L CB 0.660 42.739 42.059 0.033 0.000 1.694 116 L HN 0.480 nan 8.230 nan 0.000 0.491 117 G N -0.604 108.212 108.800 0.027 0.000 2.297 117 G HA2 -0.043 3.914 3.960 -0.006 0.000 0.209 117 G HA3 -0.043 3.914 3.960 -0.006 0.000 0.209 117 G C -0.092 174.829 174.900 0.035 0.000 1.267 117 G CA -0.397 44.718 45.100 0.025 0.000 1.127 117 G HN 0.438 nan 8.290 nan 0.000 0.498 118 G N 0.216 109.034 108.800 0.031 0.000 3.506 118 G HA2 0.639 4.595 3.960 -0.006 0.000 0.268 118 G HA3 0.639 4.595 3.960 -0.006 0.000 0.268 118 G C 1.033 175.950 174.900 0.028 0.000 0.959 118 G CA 1.286 46.411 45.100 0.042 0.000 1.823 118 G HN 1.738 nan 8.290 nan 0.000 0.615 119 A N 1.189 124.020 122.820 0.018 0.000 2.066 119 A HA 0.058 4.374 4.320 -0.006 0.000 0.218 119 A C 2.085 179.669 177.584 -0.001 0.000 1.157 119 A CA 1.430 53.467 52.037 -0.000 0.000 0.670 119 A CB 0.058 19.051 19.000 -0.012 0.000 0.804 119 A HN 0.482 nan 8.150 nan 0.000 0.453 120 E N 0.258 120.463 120.200 0.009 0.000 2.204 120 E HA -0.128 4.218 4.350 -0.006 0.000 0.194 120 E C 1.845 178.463 176.600 0.029 0.000 0.989 120 E CA 0.842 57.249 56.400 0.013 0.000 0.824 120 E CB -0.235 29.477 29.700 0.021 0.000 0.756 120 E HN 0.372 nan 8.360 nan 0.000 0.477 121 R N 0.401 120.921 120.500 0.033 0.000 2.148 121 R HA 0.105 4.441 4.340 -0.006 0.000 0.223 121 R C 2.220 178.542 176.300 0.038 0.000 1.088 121 R CA 0.636 56.759 56.100 0.038 0.000 0.985 121 R CB -0.463 29.858 30.300 0.035 0.000 0.880 121 R HN 0.332 nan 8.270 nan 0.000 0.451 122 I N 0.855 121.440 120.570 0.025 0.000 2.163 122 I HA -0.247 3.919 4.170 -0.006 0.000 0.240 122 I C 2.465 178.609 176.117 0.046 0.000 1.081 122 I CA 1.419 62.731 61.300 0.020 0.000 1.353 122 I CB -0.593 37.398 38.000 -0.015 0.000 1.054 122 I HN -0.061 nan 8.210 nan 0.000 0.407 123 V N -1.112 118.821 119.914 0.032 0.000 2.407 123 V HA -0.274 3.842 4.120 -0.006 0.000 0.248 123 V C 2.247 178.425 176.094 0.140 0.000 1.055 123 V CA 2.055 64.402 62.300 0.078 0.000 1.049 123 V CB -0.932 30.913 31.823 0.037 0.000 0.662 123 V HN 0.510 nan 8.190 nan 0.000 0.455 124 E N 0.740 120.994 120.200 0.091 0.000 2.051 124 E HA -0.189 4.157 4.350 -0.006 0.000 0.192 124 E C 2.341 178.991 176.600 0.083 0.000 0.991 124 E CA 1.667 58.115 56.400 0.079 0.000 0.799 124 E CB -0.181 29.553 29.700 0.057 0.000 0.748 124 E HN 0.685 nan 8.360 nan 0.000 0.449 125 S N -0.418 115.335 115.700 0.089 0.000 2.368 125 S HA -0.166 4.300 4.470 -0.006 0.000 0.225 125 S C 1.558 176.225 174.600 0.112 0.000 1.030 125 S CA 1.108 59.356 58.200 0.081 0.000 0.999 125 S CB -0.446 62.797 63.200 0.072 0.000 0.844 125 S HN 0.434 nan 8.310 nan 0.000 0.459 126 Y N 2.421 122.724 120.300 0.005 0.000 2.097 126 Y HA -0.255 4.291 4.550 -0.006 0.000 0.282 126 Y C 2.130 178.035 175.900 0.007 0.000 1.152 126 Y CA 1.926 60.029 58.100 0.004 0.000 1.136 126 Y CB -0.260 38.201 38.460 0.002 0.000 0.975 126 Y HN 0.180 nan 8.280 nan 0.000 0.498 127 D N 0.359 120.772 120.400 0.021 0.000 2.092 127 D HA -0.209 4.428 4.640 -0.006 0.000 0.193 127 D C 2.280 178.535 176.300 -0.075 0.000 0.994 127 D CA 1.782 55.738 54.000 -0.072 0.000 0.828 127 D CB -0.549 40.267 40.800 0.027 0.000 0.963 127 D HN 0.409 nan 8.370 nan 0.000 0.450 128 L N 0.163 121.373 121.223 -0.020 0.000 2.079 128 L HA -0.176 4.160 4.340 -0.006 0.000 0.210 128 L C 2.593 179.441 176.870 -0.037 0.000 1.081 128 L CA 0.949 55.778 54.840 -0.018 0.000 0.752 128 L CB -0.297 41.765 42.059 0.005 0.000 0.896 128 L HN 0.070 nan 8.230 nan 0.000 0.433 129 M N -0.387 119.185 119.600 -0.047 0.000 2.156 129 M HA -0.147 4.329 4.480 -0.006 0.000 0.264 129 M C 1.949 178.194 176.300 -0.092 0.000 1.067 129 M CA 1.477 56.746 55.300 -0.052 0.000 1.131 129 M CB -0.075 32.508 32.600 -0.027 0.000 1.368 129 M HN 0.229 nan 8.290 nan 0.000 0.416 130 N N 1.041 119.637 118.700 -0.172 0.000 2.149 130 N HA -0.114 4.623 4.740 -0.006 0.000 0.188 130 N C 1.607 177.049 175.510 -0.113 0.000 1.019 130 N CA 1.787 54.722 53.050 -0.191 0.000 0.857 130 N CB -0.487 37.800 38.487 -0.334 0.000 0.997 130 N HN 0.480 nan 8.380 nan 0.000 0.426 131 A N -0.386 122.379 122.820 -0.091 0.000 1.874 131 A HA 0.233 4.549 4.320 -0.006 0.000 0.214 131 A C 1.941 179.501 177.584 -0.039 0.000 1.189 131 A CA 1.532 53.536 52.037 -0.056 0.000 0.615 131 A CB -0.488 18.486 19.000 -0.043 0.000 0.830 131 A HN 0.350 nan 8.150 nan 0.000 0.443 132 G N -2.104 106.675 108.800 -0.035 0.000 3.528 132 G HA2 0.512 4.468 3.960 -0.006 0.000 0.266 132 G HA3 0.512 4.468 3.960 -0.006 0.000 0.266 132 G C 0.733 175.621 174.900 -0.020 0.000 1.004 132 G CA 0.571 45.657 45.100 -0.023 0.000 0.853 132 G HN 1.608 nan 8.290 nan 0.000 0.501 133 G N 0.743 109.527 108.800 -0.027 0.000 2.760 133 G HA2 -0.133 3.824 3.960 -0.006 0.000 0.246 133 G HA3 -0.133 3.824 3.960 -0.006 0.000 0.246 133 G C -1.012 173.880 174.900 -0.013 0.000 1.359 133 G CA -0.160 44.928 45.100 -0.020 0.000 0.861 133 G HN 0.058 nan 8.290 nan 0.000 0.541 134 P HA -0.143 nan 4.420 nan 0.000 0.217 134 P C 1.553 178.853 177.300 0.001 0.000 1.148 134 P CA 1.681 64.780 63.100 -0.001 0.000 0.828 134 P CB 0.012 31.712 31.700 0.001 0.000 0.783 135 R N -0.046 120.453 120.500 -0.001 0.000 2.285 135 R HA -0.031 4.305 4.340 -0.006 0.000 0.213 135 R C 1.868 178.168 176.300 0.001 0.000 1.068 135 R CA 0.946 57.045 56.100 -0.000 0.000 1.004 135 R CB -0.283 30.016 30.300 -0.001 0.000 0.873 135 R HN -0.070 nan 8.270 nan 0.000 0.467 136 K N -0.366 120.034 120.400 -0.000 0.000 2.393 136 K HA 0.140 4.456 4.320 -0.006 0.000 0.193 136 K C -0.276 176.328 176.600 0.006 0.000 1.026 136 K CA 0.162 56.449 56.287 0.001 0.000 1.064 136 K CB 0.684 33.182 32.500 -0.004 0.000 0.833 136 K HN -0.016 nan 8.250 nan 0.000 0.521 137 V N 2.112 122.031 119.914 0.008 0.000 2.488 137 V HA 0.056 4.172 4.120 -0.006 0.000 0.277 137 V C 0.763 176.865 176.094 0.013 0.000 1.046 137 V CA -0.470 61.838 62.300 0.014 0.000 0.986 137 V CB 1.283 33.117 31.823 0.017 0.000 0.989 137 V HN 0.121 nan 8.190 nan 0.000 0.475 138 S N 5.973 121.682 115.700 0.015 0.000 2.568 138 S HA 0.175 4.641 4.470 -0.006 0.000 0.282 138 S C -1.259 173.347 174.600 0.010 0.000 1.338 138 S CA -0.794 57.413 58.200 0.012 0.000 1.045 138 S CB 0.912 64.120 63.200 0.014 0.000 0.873 138 S HN 0.661 nan 8.310 nan 0.000 0.516 139 P HA 0.097 nan 4.420 nan 0.000 0.230 139 P C 0.541 177.843 177.300 0.004 0.000 1.158 139 P CA 0.764 63.867 63.100 0.005 0.000 0.769 139 P CB 0.058 31.760 31.700 0.003 0.000 0.807 140 L N -2.054 119.172 121.223 0.006 0.000 2.607 140 L HA 0.237 4.573 4.340 -0.006 0.000 0.228 140 L C 2.202 179.077 176.870 0.007 0.000 1.123 140 L CA 0.106 54.949 54.840 0.005 0.000 0.890 140 L CB -0.691 41.371 42.059 0.005 0.000 1.103 140 L HN -0.099 nan 8.230 nan 0.000 0.468 141 A N 0.708 123.534 122.820 0.011 0.000 1.873 141 A HA -0.248 4.068 4.320 -0.006 0.000 0.218 141 A C 2.441 180.032 177.584 0.011 0.000 1.193 141 A CA 2.391 54.437 52.037 0.015 0.000 0.629 141 A CB -0.923 18.088 19.000 0.019 0.000 0.826 141 A HN 0.248 nan 8.150 nan 0.000 0.447 142 V N 1.046 120.964 119.914 0.007 0.000 2.343 142 V HA -0.311 3.805 4.120 -0.006 0.000 0.247 142 V C 2.489 178.583 176.094 -0.000 0.000 1.051 142 V CA 2.720 65.022 62.300 0.003 0.000 1.036 142 V CB -0.919 30.905 31.823 0.001 0.000 0.654 142 V HN 0.850 nan 8.190 nan 0.000 0.451 143 Q N -0.562 119.237 119.800 -0.002 0.000 2.226 143 Q HA -0.197 4.140 4.340 -0.006 0.000 0.204 143 Q C 2.111 178.108 176.000 -0.004 0.000 0.975 143 Q CA 2.218 58.017 55.803 -0.006 0.000 0.866 143 Q CB -0.457 28.275 28.738 -0.009 0.000 0.915 143 Q HN 0.639 nan 8.270 nan 0.000 0.440 144 M N 0.059 119.660 119.600 0.003 0.000 2.288 144 M HA 0.026 4.502 4.480 -0.006 0.000 0.266 144 M C 1.975 178.283 176.300 0.013 0.000 1.072 144 M CA 1.089 56.394 55.300 0.009 0.000 1.132 144 M CB 0.063 32.672 32.600 0.016 0.000 1.386 144 M HN 0.205 nan 8.290 nan 0.000 0.432 145 I N 0.376 120.953 120.570 0.011 0.000 2.400 145 I HA -0.072 4.094 4.170 -0.006 0.000 0.248 145 I C 1.321 177.441 176.117 0.004 0.000 1.109 145 I CA -0.044 61.262 61.300 0.010 0.000 1.425 145 I CB -0.038 37.968 38.000 0.009 0.000 1.094 145 I HN 0.326 nan 8.210 nan 0.000 0.425 146 M N 2.211 121.811 119.600 -0.001 0.000 2.261 146 M HA 0.053 4.529 4.480 -0.006 0.000 0.350 146 M C -1.921 174.376 176.300 -0.006 0.000 1.343 146 M CA -0.817 54.480 55.300 -0.006 0.000 1.003 146 M CB -0.313 32.280 32.600 -0.011 0.000 1.848 146 M HN -0.217 nan 8.290 nan 0.000 0.456 147 P HA -0.143 nan 4.420 nan 0.000 0.222 147 P C 0.596 177.889 177.300 -0.011 0.000 1.147 147 P CA 1.381 64.479 63.100 -0.004 0.000 0.790 147 P CB -0.337 31.360 31.700 -0.005 0.000 0.780 148 N N -0.651 118.037 118.700 -0.019 0.000 2.461 148 N HA -0.019 4.718 4.740 -0.006 0.000 0.188 148 N C 1.760 177.252 175.510 -0.029 0.000 1.134 148 N CA 0.911 53.944 53.050 -0.029 0.000 0.878 148 N CB -1.253 37.212 38.487 -0.037 0.000 0.972 148 N HN 0.080 nan 8.380 nan 0.000 0.456 149 G N 0.960 109.748 108.800 -0.020 0.000 2.442 149 G HA2 -0.175 3.781 3.960 -0.006 0.000 0.219 149 G HA3 -0.175 3.781 3.960 -0.006 0.000 0.219 149 G C 1.673 176.558 174.900 -0.025 0.000 1.141 149 G CA 1.179 46.267 45.100 -0.021 0.000 0.763 149 G HN 0.531 nan 8.290 nan 0.000 0.554 150 A N 1.187 123.996 122.820 -0.019 0.000 1.873 150 A HA 0.318 4.634 4.320 -0.006 0.000 0.215 150 A C 2.836 180.399 177.584 -0.035 0.000 1.186 150 A CA 2.189 54.212 52.037 -0.023 0.000 0.616 150 A CB -0.853 18.142 19.000 -0.009 0.000 0.823 150 A HN 0.792 nan 8.150 nan 0.000 0.442 151 A N -0.135 122.662 122.820 -0.038 0.000 1.933 151 A HA 0.138 4.454 4.320 -0.006 0.000 0.218 151 A C 2.465 180.003 177.584 -0.076 0.000 1.175 151 A CA 2.124 54.129 52.037 -0.055 0.000 0.628 151 A CB -0.934 18.034 19.000 -0.054 0.000 0.814 151 A HN 1.057 nan 8.150 nan 0.000 0.444 152 A N -0.757 122.023 122.820 -0.067 0.000 1.969 152 A HA 0.074 4.390 4.320 -0.006 0.000 0.218 152 A C 2.210 179.750 177.584 -0.074 0.000 1.169 152 A CA 1.572 53.565 52.037 -0.073 0.000 0.635 152 A CB -0.755 18.211 19.000 -0.057 0.000 0.810 152 A HN 0.341 nan 8.150 nan 0.000 0.445 153 V N 0.318 120.195 119.914 -0.062 0.000 2.295 153 V HA -0.272 3.844 4.120 -0.006 0.000 0.246 153 V C 2.426 178.474 176.094 -0.077 0.000 1.049 153 V CA 2.132 64.395 62.300 -0.061 0.000 1.024 153 V CB -0.654 31.140 31.823 -0.049 0.000 0.648 153 V HN 0.593 nan 8.190 nan 0.000 0.447 154 I N 0.677 121.199 120.570 -0.081 0.000 2.208 154 I HA -0.183 3.983 4.170 -0.006 0.000 0.245 154 I C 2.576 178.602 176.117 -0.152 0.000 1.097 154 I CA 1.801 63.043 61.300 -0.098 0.000 1.363 154 I CB -0.966 36.990 38.000 -0.073 0.000 1.051 154 I HN 0.403 nan 8.210 nan 0.000 0.413 155 G N 0.757 109.451 108.800 -0.176 0.000 2.408 155 G HA2 -0.175 3.781 3.960 -0.006 0.000 0.217 155 G HA3 -0.175 3.781 3.960 -0.006 0.000 0.217 155 G C 1.588 176.374 174.900 -0.191 0.000 1.150 155 G CA 0.444 45.395 45.100 -0.247 0.000 0.776 155 G HN 0.152 nan 8.290 nan 0.000 0.542 156 L N 0.174 121.317 121.223 -0.134 0.000 2.072 156 L HA 0.006 4.343 4.340 -0.006 0.000 0.205 156 L C 2.886 179.694 176.870 -0.102 0.000 1.079 156 L CA 1.760 56.538 54.840 -0.102 0.000 0.752 156 L CB -0.720 41.293 42.059 -0.076 0.000 0.906 156 L HN 0.330 nan 8.230 nan 0.000 0.436 157 Q N -0.408 119.326 119.800 -0.110 0.000 2.030 157 Q HA -0.201 4.135 4.340 -0.006 0.000 0.204 157 Q C 1.946 177.846 176.000 -0.167 0.000 0.986 157 Q CA 1.767 57.501 55.803 -0.115 0.000 0.843 157 Q CB -0.077 28.598 28.738 -0.106 0.000 0.904 157 Q HN 0.483 nan 8.270 nan 0.000 0.420 158 L N -1.052 120.039 121.223 -0.221 0.000 2.585 158 L HA 0.258 4.595 4.340 -0.006 0.000 0.226 158 L C 0.933 177.711 176.870 -0.153 0.000 1.113 158 L CA 0.324 54.953 54.840 -0.351 0.000 0.876 158 L CB 0.326 42.129 42.059 -0.427 0.000 1.072 158 L HN 0.510 nan 8.230 nan 0.000 0.468 159 G N 1.415 110.150 108.800 -0.107 0.000 2.289 159 G HA2 -0.200 3.757 3.960 -0.006 0.000 0.280 159 G HA3 -0.200 3.757 3.960 -0.006 0.000 0.280 159 G C 0.171 175.061 174.900 -0.016 0.000 1.089 159 G CA 0.100 45.176 45.100 -0.039 0.000 0.939 159 G HN 0.454 nan 8.290 nan 0.000 0.499 160 A N -0.120 122.524 122.820 -0.292 0.000 2.320 160 A HA 0.795 5.111 4.320 -0.006 0.000 0.287 160 A C 1.097 178.521 177.584 -0.266 0.000 1.181 160 A CA -0.176 51.532 52.037 -0.548 0.000 0.831 160 A CB 0.475 18.733 19.000 -1.237 0.000 1.102 160 A HN 0.557 nan 8.150 nan 0.000 0.513 161 R N 2.179 122.592 120.500 -0.145 0.000 2.549 161 R HA 0.199 4.535 4.340 -0.006 0.000 0.344 161 R C 0.883 177.144 176.300 -0.066 0.000 0.979 161 R CA 0.622 56.673 56.100 -0.082 0.000 1.140 161 R CB 0.860 31.143 30.300 -0.027 0.000 1.377 161 R HN 0.694 nan 8.270 nan 0.000 0.541 162 A N 1.198 123.970 122.820 -0.081 0.000 2.370 162 A HA 0.462 4.778 4.320 -0.006 0.000 0.238 162 A C 0.520 178.053 177.584 -0.085 0.000 1.289 162 A CA 0.354 52.356 52.037 -0.059 0.000 0.885 162 A CB 0.251 19.237 19.000 -0.023 0.000 0.961 162 A HN 0.306 nan 8.150 nan 0.000 0.499 163 G N -1.585 107.147 108.800 -0.113 0.000 2.764 163 G HA2 0.263 4.219 3.960 -0.006 0.000 0.678 163 G HA3 0.263 4.219 3.960 -0.006 0.000 0.678 163 G C -1.185 173.629 174.900 -0.143 0.000 1.341 163 G CA -0.374 44.660 45.100 -0.109 0.000 0.836 163 G HN 0.792 nan 8.290 nan 0.000 0.632 164 V N 4.100 123.939 119.914 -0.125 0.000 2.482 164 V HA 0.809 4.926 4.120 -0.006 0.000 0.295 164 V C 0.294 176.329 176.094 -0.098 0.000 1.026 164 V CA -0.526 61.696 62.300 -0.129 0.000 0.856 164 V CB 1.706 33.448 31.823 -0.134 0.000 1.001 164 V HN 0.993 nan 8.190 nan 0.000 0.424 165 M N 3.823 123.370 119.600 -0.087 0.000 2.457 165 M HA 0.608 5.084 4.480 -0.006 0.000 0.300 165 M C -1.168 175.092 176.300 -0.067 0.000 1.141 165 M CA -0.168 55.082 55.300 -0.083 0.000 0.901 165 M CB 2.595 35.138 32.600 -0.094 0.000 1.687 165 M HN 0.576 nan 8.290 nan 0.000 0.449 166 T N 4.930 119.441 114.554 -0.071 0.000 2.991 166 T HA 0.478 4.824 4.350 -0.006 0.000 0.347 166 T C -2.652 172.010 174.700 -0.064 0.000 1.122 166 T CA -0.952 61.117 62.100 -0.052 0.000 1.062 166 T CB 0.707 69.550 68.868 -0.041 0.000 1.043 166 T HN 0.437 nan 8.240 nan 0.000 0.491 167 P HA 0.363 nan 4.420 nan 0.000 0.282 167 P C -0.507 176.771 177.300 -0.035 0.000 1.262 167 P CA -0.555 62.512 63.100 -0.056 0.000 0.773 167 P CB 0.790 32.508 31.700 0.030 0.000 0.879 168 V N 0.678 120.559 119.914 -0.056 0.000 2.384 168 V HA 0.754 4.870 4.120 -0.006 0.000 0.287 168 V C 0.243 176.272 176.094 -0.109 0.000 1.020 168 V CA -0.474 61.798 62.300 -0.047 0.000 0.850 168 V CB 1.335 33.146 31.823 -0.021 0.000 0.987 168 V HN 0.618 nan 8.190 nan 0.000 0.436 169 S N 2.667 118.303 115.700 -0.106 0.000 2.801 169 S HA 0.734 5.200 4.470 -0.006 0.000 0.236 169 S C 0.518 175.147 174.600 0.049 0.000 0.852 169 S CA 0.576 58.636 58.200 -0.234 0.000 1.089 169 S CB 0.239 63.153 63.200 -0.478 0.000 1.376 169 S HN 2.673 nan 8.310 nan 0.000 0.470 170 A N 2.296 125.168 122.820 0.086 0.000 5.295 170 A HA -0.385 3.932 4.320 -0.006 0.000 0.313 170 A C 1.288 178.910 177.584 0.062 0.000 1.912 170 A CA 1.802 53.906 52.037 0.112 0.000 0.714 170 A CB -1.899 17.219 19.000 0.196 0.000 1.319 170 A HN 0.683 nan 8.150 nan 0.000 0.375 171 Q N 0.656 120.481 119.800 0.041 0.000 2.488 171 Q HA 0.160 4.496 4.340 -0.006 0.000 0.211 171 Q C 1.783 177.819 176.000 0.060 0.000 0.967 171 Q CA 1.419 57.271 55.803 0.082 0.000 0.926 171 Q CB -0.106 28.720 28.738 0.147 0.000 0.992 171 Q HN 1.063 nan 8.270 nan 0.000 0.506 172 S N -2.114 113.584 115.700 -0.002 0.000 2.572 172 S HA 0.211 4.677 4.470 -0.006 0.000 0.228 172 S C 1.347 175.927 174.600 -0.035 0.000 0.963 172 S CA -0.255 57.902 58.200 -0.071 0.000 0.939 172 S CB 0.378 63.513 63.200 -0.108 0.000 0.804 172 S HN 0.069 nan 8.310 nan 0.000 0.480 173 S N 2.219 117.916 115.700 -0.004 0.000 2.356 173 S HA -0.005 4.461 4.470 -0.006 0.000 0.223 173 S C 2.160 176.767 174.600 0.012 0.000 1.032 173 S CA 1.443 59.644 58.200 0.001 0.000 1.005 173 S CB -1.074 62.133 63.200 0.011 0.000 0.867 173 S HN 0.752 nan 8.310 nan 0.000 0.449 174 G N 0.869 109.678 108.800 0.016 0.000 2.469 174 G HA2 -0.196 3.760 3.960 -0.006 0.000 0.220 174 G HA3 -0.196 3.760 3.960 -0.006 0.000 0.220 174 G C 1.572 176.482 174.900 0.017 0.000 1.136 174 G CA 1.280 46.393 45.100 0.022 0.000 0.759 174 G HN 0.527 nan 8.290 nan 0.000 0.562 175 S N -0.490 115.205 115.700 -0.009 0.000 2.425 175 S HA 0.031 4.497 4.470 -0.006 0.000 0.225 175 S C 2.057 176.634 174.600 -0.039 0.000 1.024 175 S CA 0.850 59.036 58.200 -0.024 0.000 0.951 175 S CB 0.043 63.198 63.200 -0.075 0.000 0.796 175 S HN 0.608 nan 8.310 nan 0.000 0.498 176 E N 1.380 121.560 120.200 -0.033 0.000 2.110 176 E HA -0.128 4.218 4.350 -0.006 0.000 0.193 176 E C 2.076 178.708 176.600 0.054 0.000 0.988 176 E CA 0.917 57.300 56.400 -0.027 0.000 0.804 176 E CB -0.175 29.541 29.700 0.027 0.000 0.745 176 E HN 0.466 nan 8.360 nan 0.000 0.458 177 A N 1.120 123.988 122.820 0.080 0.000 1.883 177 A HA -0.207 4.109 4.320 -0.006 0.000 0.217 177 A C 2.131 179.771 177.584 0.093 0.000 1.186 177 A CA 1.600 53.700 52.037 0.104 0.000 0.624 177 A CB -0.696 18.342 19.000 0.063 0.000 0.822 177 A HN 0.328 nan 8.150 nan 0.000 0.444 178 I N -0.277 120.329 120.570 0.060 0.000 2.286 178 I HA -0.256 3.910 4.170 -0.006 0.000 0.248 178 I C 2.908 179.051 176.117 0.043 0.000 1.115 178 I CA 0.990 62.331 61.300 0.068 0.000 1.392 178 I CB -0.340 37.712 38.000 0.087 0.000 1.065 178 I HN 0.352 nan 8.210 nan 0.000 0.418 179 A N 0.185 122.977 122.820 -0.048 0.000 1.933 179 A HA -0.214 4.103 4.320 -0.006 0.000 0.218 179 A C 2.202 179.758 177.584 -0.047 0.000 1.175 179 A CA 1.475 53.443 52.037 -0.115 0.000 0.628 179 A CB -0.803 18.037 19.000 -0.267 0.000 0.814 179 A HN 0.417 nan 8.150 nan 0.000 0.444 180 H N -0.520 118.594 119.070 0.073 0.000 2.395 180 H HA 0.055 4.607 4.556 -0.007 0.000 0.299 180 H C 2.569 177.923 175.328 0.043 0.000 1.070 180 H CA 1.239 57.317 56.048 0.050 0.000 1.356 180 H CB -0.459 29.308 29.762 0.009 0.000 1.401 180 H HN 0.528 nan 8.280 nan 0.000 0.524 181 A N 0.970 123.885 122.820 0.159 0.000 1.877 181 A HA -0.204 4.112 4.320 -0.006 0.000 0.216 181 A C 2.364 180.005 177.584 0.096 0.000 1.186 181 A CA 1.489 53.589 52.037 0.105 0.000 0.620 181 A CB -1.234 17.830 19.000 0.107 0.000 0.822 181 A HN 0.588 nan 8.150 nan 0.000 0.443 182 W N 0.879 122.143 121.300 -0.060 0.000 2.342 182 W HA -0.204 4.451 4.660 -0.008 0.000 0.297 182 W C 2.268 178.706 176.519 -0.134 0.000 1.213 182 W CA 2.044 59.329 57.345 -0.101 0.000 1.251 182 W CB -0.109 29.265 29.460 -0.144 0.000 1.136 182 W HN 0.254 nan 8.180 nan 0.000 0.526 183 R N -0.308 120.133 120.500 -0.099 0.000 2.092 183 R HA -0.181 4.155 4.340 -0.006 0.000 0.231 183 R C 2.157 178.271 176.300 -0.310 0.000 1.119 183 R CA 1.626 57.518 56.100 -0.347 0.000 0.970 183 R CB -0.692 29.574 30.300 -0.057 0.000 0.864 183 R HN 0.235 nan 8.270 nan 0.000 0.440 184 Q N 1.194 120.902 119.800 -0.153 0.000 2.084 184 Q HA -0.097 4.239 4.340 -0.006 0.000 0.202 184 Q C 1.869 177.767 176.000 -0.170 0.000 0.978 184 Q CA 1.495 57.225 55.803 -0.122 0.000 0.844 184 Q CB -0.038 28.667 28.738 -0.055 0.000 0.898 184 Q HN 0.325 nan 8.270 nan 0.000 0.426 185 I N -0.863 119.581 120.570 -0.210 0.000 2.163 185 I HA -0.232 3.934 4.170 -0.006 0.000 0.240 185 I C 2.041 177.970 176.117 -0.313 0.000 1.081 185 I CA 0.902 62.072 61.300 -0.217 0.000 1.353 185 I CB -0.339 37.556 38.000 -0.175 0.000 1.054 185 I HN 0.088 nan 8.210 nan 0.000 0.407 186 V N 0.482 120.052 119.914 -0.574 0.000 2.427 186 V HA -0.242 3.874 4.120 -0.006 0.000 0.248 186 V C 2.249 178.087 176.094 -0.428 0.000 1.051 186 V CA 1.604 63.504 62.300 -0.668 0.000 1.048 186 V CB -0.337 30.625 31.823 -1.436 0.000 0.666 186 V HN 0.406 nan 8.190 nan 0.000 0.456 187 M N -0.704 118.673 119.600 -0.373 0.000 2.618 187 M HA 0.175 4.651 4.480 -0.006 0.000 0.240 187 M C 1.466 177.691 176.300 -0.126 0.000 1.123 187 M CA 0.990 56.165 55.300 -0.208 0.000 1.060 187 M CB 0.253 32.745 32.600 -0.180 0.000 1.535 187 M HN 0.553 nan 8.290 nan 0.000 0.507 188 G N 0.693 109.414 108.800 -0.132 0.000 2.141 188 G HA2 -0.238 3.718 3.960 -0.006 0.000 0.231 188 G HA3 -0.238 3.718 3.960 -0.006 0.000 0.231 188 G C 0.100 174.963 174.900 -0.061 0.000 0.984 188 G CA 0.386 45.439 45.100 -0.079 0.000 0.660 188 G HN 0.477 nan 8.290 nan 0.000 0.525 189 D N 0.291 120.646 120.400 -0.074 0.000 2.323 189 D HA 0.512 5.149 4.640 -0.006 0.000 0.209 189 D C 1.294 177.571 176.300 -0.038 0.000 0.973 189 D CA 1.665 55.633 54.000 -0.053 0.000 0.874 189 D CB 0.337 41.102 40.800 -0.058 0.000 0.930 189 D HN 1.039 nan 8.370 nan 0.000 0.521 190 A N -0.423 122.370 122.820 -0.044 0.000 2.610 190 A HA 0.468 4.784 4.320 -0.006 0.000 0.291 190 A C -0.928 176.633 177.584 -0.040 0.000 1.086 190 A CA -0.698 51.325 52.037 -0.022 0.000 0.677 190 A CB 1.173 20.166 19.000 -0.011 0.000 1.278 190 A HN -0.130 nan 8.150 nan 0.000 0.414 191 D N -0.614 119.757 120.400 -0.048 0.000 2.479 191 D HA 0.295 4.931 4.640 -0.006 0.000 0.216 191 D C -0.360 175.806 176.300 -0.222 0.000 1.110 191 D CA 0.798 54.734 54.000 -0.107 0.000 0.841 191 D CB 1.614 42.368 40.800 -0.078 0.000 1.040 191 D HN 0.467 nan 8.370 nan 0.000 0.505 192 V N 0.113 119.939 119.914 -0.146 0.000 2.969 192 V HA 0.758 4.874 4.120 -0.006 0.000 0.304 192 V C -1.957 174.251 176.094 0.190 0.000 1.192 192 V CA -0.602 61.630 62.300 -0.113 0.000 0.962 192 V CB 2.007 33.594 31.823 -0.393 0.000 1.045 192 V HN 0.058 nan 8.190 nan 0.000 0.428 193 A N 5.041 127.992 122.820 0.217 0.000 2.488 193 A HA 0.799 5.115 4.320 -0.006 0.000 0.295 193 A C -1.455 176.301 177.584 0.288 0.000 1.045 193 A CA -0.451 51.747 52.037 0.269 0.000 0.703 193 A CB 2.004 21.079 19.000 0.126 0.000 1.271 193 A HN 1.181 nan 8.150 nan 0.000 0.400 194 V N 1.807 121.924 119.914 0.338 0.000 2.407 194 V HA 0.527 4.643 4.120 -0.006 0.000 0.278 194 V C 0.165 176.335 176.094 0.126 0.000 1.037 194 V CA -0.081 62.367 62.300 0.248 0.000 0.900 194 V CB 0.453 32.449 31.823 0.288 0.000 0.983 194 V HN 1.352 nan 8.190 nan 0.000 0.459 195 C N 2.713 122.080 119.300 0.113 0.000 2.994 195 C HA 1.089 5.545 4.460 -0.006 0.000 0.305 195 C C 0.327 175.361 174.990 0.075 0.000 1.251 195 C CA -0.012 59.056 59.018 0.083 0.000 1.478 195 C CB 1.030 28.825 27.740 0.093 0.000 1.922 195 C HN 1.326 nan 8.230 nan 0.000 0.472 196 G N 0.251 109.086 108.800 0.059 0.000 2.491 196 G HA2 0.669 4.625 3.960 -0.006 0.000 0.183 196 G HA3 0.669 4.625 3.960 -0.006 0.000 0.183 196 G C -0.593 174.331 174.900 0.040 0.000 1.221 196 G CA 0.387 45.518 45.100 0.052 0.000 0.996 196 G HN 2.211 nan 8.290 nan 0.000 0.474 197 G N -1.205 107.618 108.800 0.037 0.000 2.718 197 G HA2 0.859 4.816 3.960 -0.006 0.000 0.295 197 G HA3 0.859 4.816 3.960 -0.006 0.000 0.295 197 G C -0.839 174.084 174.900 0.039 0.000 1.421 197 G CA 0.520 45.641 45.100 0.035 0.000 0.902 197 G HN 1.923 nan 8.290 nan 0.000 0.501 198 V N -1.902 118.037 119.914 0.041 0.000 3.126 198 V HA 1.031 5.147 4.120 -0.006 0.000 0.314 198 V C -0.840 175.295 176.094 0.069 0.000 1.138 198 V CA -1.178 61.156 62.300 0.055 0.000 1.034 198 V CB 2.009 33.858 31.823 0.044 0.000 1.075 198 V HN 0.969 nan 8.190 nan 0.000 0.442 199 E N -0.070 120.194 120.200 0.106 0.000 2.388 199 E HA 0.625 4.971 4.350 -0.006 0.000 0.281 199 E C -0.123 176.557 176.600 0.133 0.000 1.046 199 E CA 0.260 56.712 56.400 0.086 0.000 0.825 199 E CB 1.695 31.414 29.700 0.032 0.000 1.243 199 E HN 1.295 nan 8.360 nan 0.000 0.438 200 G N 1.976 110.793 108.800 0.027 0.000 2.653 200 G HA2 0.449 4.405 3.960 -0.006 0.000 0.265 200 G HA3 0.449 4.405 3.960 -0.006 0.000 0.265 200 G C -2.101 172.609 174.900 -0.318 0.000 1.237 200 G CA -0.774 44.233 45.100 -0.154 0.000 0.946 200 G HN 0.455 nan 8.290 nan 0.000 0.522 201 P HA 0.266 nan 4.420 nan 0.000 0.276 201 P C 0.028 177.176 177.300 -0.253 0.000 1.261 201 P CA -0.587 62.305 63.100 -0.347 0.000 0.800 201 P CB 0.916 32.373 31.700 -0.405 0.000 1.066 202 I N 1.063 121.555 120.570 -0.130 0.000 2.742 202 I HA -0.023 4.143 4.170 -0.006 0.000 0.287 202 I C 1.280 177.429 176.117 0.053 0.000 1.186 202 I CA 1.215 62.460 61.300 -0.091 0.000 1.417 202 I CB -0.213 37.830 38.000 0.072 0.000 1.377 202 I HN 0.238 nan 8.210 nan 0.000 0.556 203 E N 3.734 123.880 120.200 -0.090 0.000 2.433 203 E HA 0.491 4.837 4.350 -0.006 0.000 0.273 203 E C 0.332 176.665 176.600 -0.445 0.000 0.950 203 E CA -0.511 55.728 56.400 -0.267 0.000 0.796 203 E CB 1.894 31.454 29.700 -0.234 0.000 1.330 203 E HN 0.482 nan 8.360 nan 0.000 0.455 204 A N 0.916 123.208 122.820 -0.881 0.000 1.873 204 A HA -0.158 4.158 4.320 -0.006 0.000 0.215 204 A C 1.891 179.209 177.584 -0.442 0.000 1.186 204 A CA 1.492 53.083 52.037 -0.744 0.000 0.616 204 A CB -0.412 17.981 19.000 -1.010 0.000 0.823 204 A HN 0.413 nan 8.150 nan 0.000 0.442 205 L N 0.337 121.316 121.223 -0.406 0.000 2.027 205 L HA -0.004 4.333 4.340 -0.006 0.000 0.206 205 L C -0.804 176.009 176.870 -0.095 0.000 1.074 205 L CA 2.138 56.812 54.840 -0.276 0.000 0.745 205 L CB -1.189 40.722 42.059 -0.246 0.000 0.898 205 L HN 0.156 nan 8.230 nan 0.000 0.433 206 P HA -0.121 nan 4.420 nan 0.000 0.217 206 P C 2.117 179.680 177.300 0.439 0.000 1.150 206 P CA 1.557 64.792 63.100 0.225 0.000 0.832 206 P CB -0.011 31.772 31.700 0.138 0.000 0.787 207 I N -0.551 120.205 120.570 0.310 0.000 2.226 207 I HA -0.268 3.899 4.170 -0.006 0.000 0.245 207 I C 2.324 178.528 176.117 0.145 0.000 1.100 207 I CA 1.558 63.041 61.300 0.306 0.000 1.374 207 I CB -0.853 37.275 38.000 0.213 0.000 1.057 207 I HN -0.078 nan 8.210 nan 0.000 0.413 208 A N 0.801 123.635 122.820 0.024 0.000 1.877 208 A HA -0.176 4.140 4.320 -0.006 0.000 0.216 208 A C 2.547 180.128 177.584 -0.005 0.000 1.186 208 A CA 1.971 53.990 52.037 -0.031 0.000 0.620 208 A CB -0.840 18.077 19.000 -0.138 0.000 0.822 208 A HN 0.441 nan 8.150 nan 0.000 0.443 209 A N -1.416 121.406 122.820 0.003 0.000 1.898 209 A HA 0.042 4.358 4.320 -0.006 0.000 0.216 209 A C 1.952 179.494 177.584 -0.069 0.000 1.181 209 A CA 1.480 53.477 52.037 -0.066 0.000 0.620 209 A CB -0.677 18.245 19.000 -0.131 0.000 0.819 209 A HN 0.463 nan 8.150 nan 0.000 0.442 210 F N 0.616 120.620 119.950 0.090 0.000 2.293 210 F HA -0.061 4.462 4.527 -0.007 0.000 0.297 210 F C 2.721 178.492 175.800 -0.049 0.000 1.089 210 F CA 1.392 59.446 58.000 0.091 0.000 1.377 210 F CB -0.191 38.897 39.000 0.148 0.000 1.051 210 F HN 0.126 nan 8.300 nan 0.000 0.511 211 S N -0.263 115.483 115.700 0.078 0.000 2.382 211 S HA -0.165 4.302 4.470 -0.006 0.000 0.228 211 S C 2.009 176.603 174.600 -0.009 0.000 1.027 211 S CA 0.995 59.183 58.200 -0.020 0.000 0.991 211 S CB -0.235 62.953 63.200 -0.021 0.000 0.823 211 S HN 0.215 nan 8.310 nan 0.000 0.469 212 M N 0.729 120.327 119.600 -0.003 0.000 2.476 212 M HA 0.171 4.647 4.480 -0.006 0.000 0.262 212 M C 1.562 177.852 176.300 -0.017 0.000 1.079 212 M CA 0.969 56.259 55.300 -0.017 0.000 1.104 212 M CB -1.025 31.556 32.600 -0.032 0.000 1.409 212 M HN 0.372 nan 8.290 nan 0.000 0.467 213 M N -0.845 118.756 119.600 0.002 0.000 2.595 213 M HA -0.003 4.473 4.480 -0.006 0.000 0.248 213 M C 0.015 176.332 176.300 0.028 0.000 1.119 213 M CA 0.283 55.592 55.300 0.015 0.000 1.079 213 M CB -0.009 32.632 32.600 0.068 0.000 1.472 213 M HN 0.091 nan 8.290 nan 0.000 0.501 214 R N -0.520 119.986 120.500 0.009 0.000 3.422 214 R HA -0.198 4.138 4.340 -0.006 0.000 0.267 214 R C 0.484 176.783 176.300 -0.002 0.000 1.074 214 R CA 0.530 56.624 56.100 -0.011 0.000 0.718 214 R CB -2.434 27.860 30.300 -0.010 0.000 1.157 214 R HN 0.511 nan 8.270 nan 0.000 0.440 215 A N -0.707 122.116 122.820 0.005 0.000 2.343 215 A HA 0.351 4.668 4.320 -0.006 0.000 0.223 215 A C 0.652 178.091 177.584 -0.241 0.000 1.214 215 A CA 0.025 52.087 52.037 0.042 0.000 0.900 215 A CB 0.413 19.610 19.000 0.328 0.000 0.942 215 A HN 0.212 nan 8.150 nan 0.000 0.507 216 M N 0.300 119.646 119.600 -0.423 0.000 2.367 216 M HA 0.331 4.808 4.480 -0.006 0.000 0.339 216 M C 0.303 176.391 176.300 -0.354 0.000 1.177 216 M CA -0.350 54.535 55.300 -0.692 0.000 1.068 216 M CB 1.608 33.739 32.600 -0.782 0.000 1.602 216 M HN 0.126 nan 8.290 nan 0.000 0.457 217 S N 0.747 116.255 115.700 -0.319 0.000 2.562 217 S HA 0.174 4.640 4.470 -0.006 0.000 0.281 217 S C 0.686 175.195 174.600 -0.151 0.000 1.333 217 S CA -0.266 57.828 58.200 -0.177 0.000 1.052 217 S CB 0.294 63.415 63.200 -0.132 0.000 0.884 217 S HN 0.807 nan 8.310 nan 0.000 0.506 218 T N 1.938 116.433 114.554 -0.098 0.000 3.296 218 T HA 0.301 4.648 4.350 -0.006 0.000 0.285 218 T C 0.383 175.055 174.700 -0.047 0.000 1.014 218 T CA -0.494 61.564 62.100 -0.070 0.000 0.920 218 T CB -0.214 68.622 68.868 -0.055 0.000 1.143 218 T HN 0.590 nan 8.240 nan 0.000 0.522 219 R N 1.644 122.114 120.500 -0.049 0.000 4.154 219 R HA 0.246 4.582 4.340 -0.006 0.000 0.186 219 R C 0.390 176.674 176.300 -0.027 0.000 1.750 219 R CA -0.021 56.060 56.100 -0.032 0.000 1.431 219 R CB -0.716 29.566 30.300 -0.030 0.000 1.383 219 R HN 0.511 nan 8.270 nan 0.000 0.788 220 N N 0.427 119.114 118.700 -0.022 0.000 2.244 220 N HA -0.168 4.568 4.740 -0.006 0.000 0.183 220 N C 0.894 176.400 175.510 -0.007 0.000 1.016 220 N CA 1.162 54.202 53.050 -0.016 0.000 0.866 220 N CB 0.156 38.638 38.487 -0.009 0.000 0.980 220 N HN 0.540 nan 8.380 nan 0.000 0.430 221 D N 0.793 121.190 120.400 -0.005 0.000 2.269 221 D HA -0.114 4.522 4.640 -0.006 0.000 0.208 221 D C -0.024 176.278 176.300 0.003 0.000 0.963 221 D CA 1.034 55.035 54.000 0.001 0.000 0.864 221 D CB -0.171 40.629 40.800 0.001 0.000 0.936 221 D HN 0.283 nan 8.370 nan 0.000 0.505 222 E N 0.422 120.622 120.200 0.000 0.000 3.108 222 E HA 0.203 4.549 4.350 -0.006 0.000 0.228 222 E C -2.095 174.506 176.600 0.001 0.000 1.176 222 E CA -1.745 54.658 56.400 0.004 0.000 0.881 222 E CB 1.992 31.694 29.700 0.004 0.000 1.354 222 E HN -0.020 nan 8.360 nan 0.000 0.400 223 P HA -0.241 nan 4.420 nan 0.000 0.216 223 P C 0.878 178.177 177.300 -0.001 0.000 1.157 223 P CA 1.312 64.407 63.100 -0.007 0.000 0.880 223 P CB 0.307 32.010 31.700 0.004 0.000 0.791 224 E N -0.798 119.411 120.200 0.016 0.000 2.265 224 E HA -0.139 4.207 4.350 -0.006 0.000 0.196 224 E C 1.682 178.292 176.600 0.017 0.000 0.996 224 E CA 0.676 57.089 56.400 0.022 0.000 0.832 224 E CB -0.224 29.495 29.700 0.031 0.000 0.756 224 E HN 0.352 nan 8.360 nan 0.000 0.491 225 R N -0.290 120.217 120.500 0.011 0.000 2.362 225 R HA 0.228 4.565 4.340 -0.006 0.000 0.227 225 R C 1.918 178.220 176.300 0.003 0.000 0.905 225 R CA 0.360 56.467 56.100 0.011 0.000 1.067 225 R CB 0.380 30.686 30.300 0.010 0.000 1.078 225 R HN 0.012 nan 8.270 nan 0.000 0.516 226 A N 1.158 123.973 122.820 -0.008 0.000 1.873 226 A HA -0.064 4.252 4.320 -0.006 0.000 0.215 226 A C 1.388 178.959 177.584 -0.022 0.000 1.186 226 A CA 1.002 53.026 52.037 -0.022 0.000 0.616 226 A CB -0.096 18.881 19.000 -0.038 0.000 0.823 226 A HN 0.185 nan 8.150 nan 0.000 0.442 227 S N 0.299 115.989 115.700 -0.017 0.000 2.422 227 S HA 0.413 4.880 4.470 -0.006 0.000 0.283 227 S C 0.107 174.702 174.600 -0.009 0.000 1.163 227 S CA -0.561 57.628 58.200 -0.019 0.000 1.054 227 S CB -0.254 62.935 63.200 -0.019 0.000 0.967 227 S HN 0.387 nan 8.310 nan 0.000 0.499 228 R N 4.447 124.940 120.500 -0.012 0.000 2.886 228 R HA 0.256 4.593 4.340 -0.006 0.000 0.306 228 R C -2.804 173.503 176.300 0.011 0.000 1.300 228 R CA -1.717 54.397 56.100 0.023 0.000 1.441 228 R CB 0.748 31.067 30.300 0.032 0.000 1.328 228 R HN 0.434 nan 8.270 nan 0.000 0.629 229 P HA -0.070 nan 4.420 nan 0.000 0.262 229 P C -0.055 177.214 177.300 -0.051 0.000 1.182 229 P CA 0.500 63.453 63.100 -0.246 0.000 0.761 229 P CB 0.171 31.676 31.700 -0.325 0.000 0.795 230 F N -1.094 118.921 119.950 0.107 0.000 2.705 230 F HA -0.256 4.267 4.527 -0.007 0.000 0.413 230 F C 0.763 176.718 175.800 0.259 0.000 0.588 230 F CA 1.279 59.385 58.000 0.176 0.000 1.187 230 F CB -2.351 36.738 39.000 0.147 0.000 1.737 230 F HN 0.277 nan 8.300 nan 0.000 0.285 231 D N 0.746 121.340 120.400 0.323 0.000 2.304 231 D HA 0.223 4.859 4.640 -0.006 0.000 0.247 231 D C 1.220 177.567 176.300 0.078 0.000 1.089 231 D CA -0.195 53.901 54.000 0.160 0.000 0.910 231 D CB 0.850 41.720 40.800 0.117 0.000 1.199 231 D HN 0.064 nan 8.370 nan 0.000 0.426 232 K N 1.269 121.684 120.400 0.025 0.000 2.152 232 K HA -0.118 4.199 4.320 -0.006 0.000 0.206 232 K C 0.043 176.650 176.600 0.012 0.000 1.048 232 K CA 1.064 57.362 56.287 0.018 0.000 0.933 232 K CB 0.137 32.633 32.500 -0.006 0.000 0.721 232 K HN 0.551 nan 8.250 nan 0.000 0.447 233 D N 0.755 121.159 120.400 0.006 0.000 2.427 233 D HA -0.006 4.630 4.640 -0.006 0.000 0.224 233 D C 0.063 176.363 176.300 0.000 0.000 1.157 233 D CA 0.010 54.010 54.000 0.000 0.000 0.828 233 D CB 0.165 40.962 40.800 -0.005 0.000 0.974 233 D HN 0.297 nan 8.370 nan 0.000 0.498 234 R N 1.372 121.875 120.500 0.005 0.000 2.694 234 R HA 0.173 4.509 4.340 -0.006 0.000 0.268 234 R C 0.023 176.314 176.300 -0.015 0.000 1.061 234 R CA 0.040 56.136 56.100 -0.007 0.000 1.133 234 R CB 0.468 30.760 30.300 -0.013 0.000 1.020 234 R HN -0.186 nan 8.270 nan 0.000 0.475 235 D N 0.467 120.851 120.400 -0.027 0.000 2.760 235 D HA 0.224 4.860 4.640 -0.006 0.000 0.314 235 D C 0.244 176.511 176.300 -0.055 0.000 1.464 235 D CA 0.046 54.025 54.000 -0.035 0.000 0.797 235 D CB 0.380 41.157 40.800 -0.038 0.000 1.149 235 D HN 0.910 nan 8.370 nan 0.000 0.455 236 G N 0.536 109.311 108.800 -0.042 0.000 2.434 236 G HA2 0.131 4.087 3.960 -0.006 0.000 0.671 236 G HA3 0.131 4.087 3.960 -0.006 0.000 0.671 236 G C -0.604 174.268 174.900 -0.046 0.000 1.280 236 G CA -0.636 44.434 45.100 -0.050 0.000 0.975 236 G HN 0.388 nan 8.290 nan 0.000 0.510 237 F N -0.581 119.303 119.950 -0.110 0.000 2.378 237 F HA 0.848 5.372 4.527 -0.006 0.000 0.325 237 F C 0.159 175.836 175.800 -0.206 0.000 1.097 237 F CA -1.431 56.484 58.000 -0.141 0.000 1.079 237 F CB 1.485 40.426 39.000 -0.099 0.000 1.240 237 F HN 0.477 nan 8.300 nan 0.000 0.519 238 V N 3.091 123.075 119.914 0.118 0.000 2.555 238 V HA 0.294 4.410 4.120 -0.006 0.000 0.302 238 V C -0.621 175.583 176.094 0.184 0.000 1.038 238 V CA -0.778 61.518 62.300 -0.006 0.000 0.887 238 V CB 1.414 33.228 31.823 -0.015 0.000 0.991 238 V HN 0.635 nan 8.190 nan 0.000 0.434 239 F N 2.725 122.739 119.950 0.107 0.000 2.504 239 F HA 0.570 5.093 4.527 -0.007 0.000 0.369 239 F C 1.027 176.826 175.800 -0.002 0.000 1.082 239 F CA -0.454 57.589 58.000 0.072 0.000 1.216 239 F CB 0.940 39.949 39.000 0.014 0.000 1.108 239 F HN 0.532 nan 8.300 nan 0.000 0.554 240 G N 4.235 113.178 108.800 0.237 0.000 2.782 240 G HA2 0.350 4.306 3.960 -0.006 0.000 0.289 240 G HA3 0.350 4.306 3.960 -0.006 0.000 0.289 240 G C -0.851 174.110 174.900 0.102 0.000 1.463 240 G CA -0.688 44.482 45.100 0.117 0.000 1.019 240 G HN 0.542 nan 8.290 nan 0.000 0.536 241 E N 0.511 120.762 120.200 0.086 0.000 2.452 241 E HA 0.398 4.744 4.350 -0.006 0.000 0.261 241 E C 0.362 177.022 176.600 0.101 0.000 0.987 241 E CA 0.697 57.147 56.400 0.084 0.000 0.926 241 E CB 1.085 30.860 29.700 0.125 0.000 0.934 241 E HN 0.710 nan 8.360 nan 0.000 0.452 242 A N 1.887 124.764 122.820 0.095 0.000 2.608 242 A HA 0.739 5.055 4.320 -0.006 0.000 0.292 242 A C -0.786 176.853 177.584 0.092 0.000 1.066 242 A CA -0.138 51.954 52.037 0.091 0.000 0.676 242 A CB 2.071 21.113 19.000 0.070 0.000 1.277 242 A HN 0.598 nan 8.150 nan 0.000 0.413 243 G N -0.869 107.980 108.800 0.081 0.000 2.706 243 G HA2 0.913 4.869 3.960 -0.006 0.000 0.297 243 G HA3 0.913 4.869 3.960 -0.006 0.000 0.297 243 G C -0.856 174.074 174.900 0.050 0.000 1.403 243 G CA 0.246 45.385 45.100 0.065 0.000 0.954 243 G HN 2.115 nan 8.290 nan 0.000 0.500 244 A N 0.818 123.663 122.820 0.042 0.000 2.520 244 A HA 0.863 5.179 4.320 -0.006 0.000 0.298 244 A C -1.266 176.340 177.584 0.037 0.000 1.051 244 A CA -0.514 51.544 52.037 0.035 0.000 0.690 244 A CB 1.340 20.357 19.000 0.028 0.000 1.281 244 A HN 0.835 nan 8.150 nan 0.000 0.402 245 L N 2.019 123.265 121.223 0.039 0.000 2.371 245 L HA 0.831 5.167 4.340 -0.006 0.000 0.262 245 L C -0.217 176.684 176.870 0.053 0.000 1.006 245 L CA -0.661 54.210 54.840 0.053 0.000 0.818 245 L CB 2.330 44.427 42.059 0.065 0.000 1.354 245 L HN 0.963 nan 8.230 nan 0.000 0.415 246 M N 1.430 121.073 119.600 0.071 0.000 2.572 246 M HA 0.631 5.107 4.480 -0.006 0.000 0.299 246 M C -1.838 174.526 176.300 0.105 0.000 1.205 246 M CA -0.839 54.503 55.300 0.069 0.000 0.876 246 M CB 2.593 35.228 32.600 0.058 0.000 1.728 246 M HN 0.357 nan 8.290 nan 0.000 0.458 247 L N 4.288 125.568 121.223 0.095 0.000 2.264 247 L HA 0.673 5.009 4.340 -0.006 0.000 0.289 247 L C -0.820 176.102 176.870 0.088 0.000 1.044 247 L CA -0.500 54.408 54.840 0.113 0.000 0.807 247 L CB 1.063 43.173 42.059 0.084 0.000 1.192 247 L HN 0.797 nan 8.230 nan 0.000 0.425 248 I N 2.151 122.785 120.570 0.108 0.000 2.693 248 I HA 0.843 5.009 4.170 -0.006 0.000 0.303 248 I C -0.961 175.192 176.117 0.060 0.000 1.025 248 I CA -0.444 60.914 61.300 0.097 0.000 1.086 248 I CB 2.128 40.210 38.000 0.136 0.000 1.268 248 I HN 0.777 nan 8.210 nan 0.000 0.440 249 E N 1.874 122.100 120.200 0.044 0.000 2.416 249 E HA 0.318 4.664 4.350 -0.006 0.000 0.280 249 E C -1.097 175.525 176.600 0.037 0.000 1.055 249 E CA -1.019 55.377 56.400 -0.007 0.000 0.825 249 E CB 1.298 30.981 29.700 -0.029 0.000 1.312 249 E HN 0.759 nan 8.360 nan 0.000 0.452 250 T N -1.958 112.615 114.554 0.031 0.000 2.855 250 T HA -0.002 4.344 4.350 -0.006 0.000 0.314 250 T C 0.961 175.720 174.700 0.098 0.000 1.077 250 T CA 0.244 62.386 62.100 0.069 0.000 1.095 250 T CB 1.242 70.150 68.868 0.068 0.000 0.987 250 T HN 0.738 nan 8.240 nan 0.000 0.546 251 E N 0.392 120.651 120.200 0.098 0.000 2.150 251 E HA -0.186 4.160 4.350 -0.006 0.000 0.193 251 E C 2.007 178.657 176.600 0.084 0.000 0.985 251 E CA 1.169 57.627 56.400 0.095 0.000 0.814 251 E CB -0.032 29.746 29.700 0.129 0.000 0.752 251 E HN 0.897 nan 8.360 nan 0.000 0.466 252 E N -0.165 120.087 120.200 0.087 0.000 2.058 252 E HA -0.268 4.078 4.350 -0.006 0.000 0.194 252 E C 2.151 178.792 176.600 0.068 0.000 0.997 252 E CA 1.263 57.705 56.400 0.071 0.000 0.801 252 E CB -0.179 29.563 29.700 0.070 0.000 0.746 252 E HN 0.383 nan 8.360 nan 0.000 0.450 253 H N -0.310 118.763 119.070 0.005 0.000 2.353 253 H HA -0.077 4.475 4.556 -0.007 0.000 0.300 253 H C 1.814 177.125 175.328 -0.029 0.000 1.090 253 H CA 1.658 57.700 56.048 -0.010 0.000 1.327 253 H CB 0.062 29.820 29.762 -0.005 0.000 1.383 253 H HN 0.271 nan 8.280 nan 0.000 0.508 254 A N 1.202 124.080 122.820 0.096 0.000 1.898 254 A HA -0.122 4.194 4.320 -0.006 0.000 0.216 254 A C 2.509 180.066 177.584 -0.045 0.000 1.181 254 A CA 1.334 53.379 52.037 0.013 0.000 0.620 254 A CB -0.448 18.550 19.000 -0.003 0.000 0.819 254 A HN 0.367 nan 8.150 nan 0.000 0.442 255 K N -0.276 120.112 120.400 -0.019 0.000 1.991 255 K HA -0.169 4.147 4.320 -0.006 0.000 0.212 255 K C 2.189 178.760 176.600 -0.049 0.000 1.049 255 K CA 1.405 57.681 56.287 -0.018 0.000 0.932 255 K CB -0.381 32.129 32.500 0.017 0.000 0.717 255 K HN 0.368 nan 8.250 nan 0.000 0.441 256 A N 1.804 124.582 122.820 -0.070 0.000 2.032 256 A HA -0.213 4.103 4.320 -0.006 0.000 0.221 256 A C 1.894 179.401 177.584 -0.128 0.000 1.165 256 A CA 1.978 53.957 52.037 -0.097 0.000 0.645 256 A CB -0.545 18.383 19.000 -0.119 0.000 0.807 256 A HN 0.587 nan 8.150 nan 0.000 0.453 257 R N -1.984 118.419 120.500 -0.162 0.000 2.362 257 R HA 0.387 4.723 4.340 -0.006 0.000 0.227 257 R C 1.039 177.270 176.300 -0.116 0.000 0.905 257 R CA 0.742 56.746 56.100 -0.161 0.000 1.067 257 R CB -0.427 29.738 30.300 -0.224 0.000 1.078 257 R HN 0.761 nan 8.270 nan 0.000 0.516 258 G N 0.278 109.023 108.800 -0.091 0.000 2.137 258 G HA2 -0.293 3.664 3.960 -0.006 0.000 0.237 258 G HA3 -0.293 3.664 3.960 -0.006 0.000 0.237 258 G C 0.148 175.001 174.900 -0.078 0.000 1.002 258 G CA 0.027 45.084 45.100 -0.071 0.000 0.702 258 G HN 0.675 nan 8.290 nan 0.000 0.515 259 A N -0.388 122.377 122.820 -0.091 0.000 2.331 259 A HA 0.750 5.066 4.320 -0.006 0.000 0.283 259 A C 0.366 177.882 177.584 -0.113 0.000 1.142 259 A CA 0.257 52.232 52.037 -0.102 0.000 0.812 259 A CB 0.809 19.745 19.000 -0.107 0.000 1.074 259 A HN 0.798 nan 8.150 nan 0.000 0.497 260 K N 3.167 123.495 120.400 -0.119 0.000 2.234 260 K HA 0.525 4.841 4.320 -0.006 0.000 0.277 260 K C -2.824 173.632 176.600 -0.240 0.000 1.038 260 K CA -1.881 54.310 56.287 -0.159 0.000 0.888 260 K CB 0.677 33.129 32.500 -0.079 0.000 1.091 260 K HN 0.346 nan 8.250 nan 0.000 0.467 261 P HA 0.011 nan 4.420 nan 0.000 0.268 261 P C 0.055 177.191 177.300 -0.274 0.000 1.205 261 P CA -0.079 62.738 63.100 -0.471 0.000 0.771 261 P CB 0.571 31.648 31.700 -1.040 0.000 0.858 262 L N 0.924 122.063 121.223 -0.140 0.000 2.375 262 L HA 0.335 4.671 4.340 -0.006 0.000 0.215 262 L C 0.996 177.857 176.870 -0.015 0.000 1.108 262 L CA 0.641 55.435 54.840 -0.078 0.000 0.830 262 L CB -0.378 41.621 42.059 -0.101 0.000 0.959 262 L HN 0.463 nan 8.230 nan 0.000 0.457 263 A N -0.134 122.700 122.820 0.023 0.000 2.452 263 A HA 0.591 4.907 4.320 -0.006 0.000 0.294 263 A C -1.191 176.504 177.584 0.184 0.000 1.010 263 A CA -0.769 51.344 52.037 0.127 0.000 0.613 263 A CB 0.891 19.936 19.000 0.074 0.000 1.363 263 A HN 0.067 nan 8.150 nan 0.000 0.463 264 R N -0.426 120.232 120.500 0.264 0.000 2.474 264 R HA 0.615 4.951 4.340 -0.006 0.000 0.295 264 R C -1.118 175.351 176.300 0.282 0.000 0.980 264 R CA -0.705 55.553 56.100 0.264 0.000 0.934 264 R CB 1.689 32.150 30.300 0.268 0.000 1.101 264 R HN 0.533 nan 8.270 nan 0.000 0.469 265 L N 4.507 125.836 121.223 0.176 0.000 2.262 265 L HA 0.272 4.608 4.340 -0.006 0.000 0.288 265 L C -0.194 176.598 176.870 -0.130 0.000 1.035 265 L CA 0.268 55.041 54.840 -0.112 0.000 0.820 265 L CB 0.897 42.906 42.059 -0.083 0.000 1.204 265 L HN 0.753 nan 8.230 nan 0.000 0.424 266 L N 4.392 125.435 121.223 -0.299 0.000 2.515 266 L HA 0.575 4.912 4.340 -0.006 0.000 0.223 266 L C 0.895 177.554 176.870 -0.351 0.000 1.079 266 L CA 0.342 55.100 54.840 -0.136 0.000 0.857 266 L CB 0.076 42.102 42.059 -0.055 0.000 1.050 266 L HN 0.775 nan 8.230 nan 0.000 0.476 267 G N -0.211 108.027 108.800 -0.937 0.000 2.387 267 G HA2 0.616 4.572 3.960 -0.006 0.000 0.294 267 G HA3 0.616 4.572 3.960 -0.006 0.000 0.294 267 G C -2.174 172.065 174.900 -1.102 0.000 1.509 267 G CA 0.103 44.524 45.100 -1.131 0.000 0.806 267 G HN 0.045 nan 8.290 nan 0.000 0.546 268 A N -0.821 121.443 122.820 -0.926 0.000 2.517 268 A HA 0.951 5.267 4.320 -0.006 0.000 0.297 268 A C -0.195 177.212 177.584 -0.295 0.000 1.050 268 A CA 0.070 51.771 52.037 -0.560 0.000 0.694 268 A CB 1.839 20.522 19.000 -0.528 0.000 1.277 268 A HN 2.203 nan 8.150 nan 0.000 0.400 269 G N 0.735 109.412 108.800 -0.204 0.000 2.590 269 G HA2 0.624 4.580 3.960 -0.006 0.000 0.310 269 G HA3 0.624 4.580 3.960 -0.006 0.000 0.310 269 G C -1.056 173.794 174.900 -0.083 0.000 1.347 269 G CA -0.430 44.606 45.100 -0.107 0.000 0.963 269 G HN 0.677 nan 8.290 nan 0.000 0.494 270 I N 2.300 122.845 120.570 -0.042 0.000 2.447 270 I HA 0.484 4.651 4.170 -0.006 0.000 0.287 270 I C 0.309 176.449 176.117 0.038 0.000 1.023 270 I CA -0.627 60.666 61.300 -0.011 0.000 1.083 270 I CB 2.401 40.387 38.000 -0.024 0.000 1.245 270 I HN 0.647 nan 8.210 nan 0.000 0.434 271 T N 1.515 116.110 114.554 0.068 0.000 2.742 271 T HA 0.827 5.173 4.350 -0.006 0.000 0.282 271 T C -0.410 174.362 174.700 0.120 0.000 1.025 271 T CA -0.766 61.385 62.100 0.085 0.000 1.020 271 T CB 2.015 70.926 68.868 0.073 0.000 1.317 271 T HN 0.554 nan 8.240 nan 0.000 0.538 272 S N -0.683 115.079 115.700 0.104 0.000 2.564 272 S HA 0.514 4.980 4.470 -0.006 0.000 0.274 272 S C -0.453 174.193 174.600 0.076 0.000 1.124 272 S CA -0.789 57.473 58.200 0.103 0.000 0.869 272 S CB 1.857 65.124 63.200 0.110 0.000 1.105 272 S HN 0.615 nan 8.310 nan 0.000 0.472 273 D N 1.429 121.871 120.400 0.070 0.000 2.194 273 D HA 0.214 4.850 4.640 -0.006 0.000 0.204 273 D C 1.344 177.713 176.300 0.115 0.000 0.964 273 D CA 1.435 55.487 54.000 0.086 0.000 0.846 273 D CB -0.553 40.316 40.800 0.116 0.000 0.962 273 D HN 1.150 nan 8.370 nan 0.000 0.490 274 A N -0.273 122.603 122.820 0.093 0.000 2.364 274 A HA -0.254 4.062 4.320 -0.006 0.000 0.288 274 A C 0.641 178.317 177.584 0.154 0.000 1.433 274 A CA 0.983 53.072 52.037 0.085 0.000 0.757 274 A CB -2.037 17.001 19.000 0.063 0.000 1.098 274 A HN 0.390 nan 8.150 nan 0.000 0.380 275 F N -0.820 119.136 119.950 0.009 0.000 2.268 275 F HA 0.407 4.930 4.527 -0.007 0.000 0.262 275 F C 0.748 176.603 175.800 0.090 0.000 0.910 275 F CA 1.177 59.199 58.000 0.037 0.000 1.142 275 F CB 0.533 39.551 39.000 0.031 0.000 1.229 275 F HN 0.590 nan 8.300 nan 0.000 0.781 276 H N 0.329 119.299 119.070 -0.167 0.000 3.046 276 H HA 0.299 4.851 4.556 -0.007 0.000 0.361 276 H C 0.433 175.701 175.328 -0.099 0.000 1.235 276 H CA -0.459 55.425 56.048 -0.273 0.000 1.146 276 H CB 1.933 31.454 29.762 -0.401 0.000 1.859 276 H HN 0.047 nan 8.280 nan 0.000 0.548 277 M N 2.455 121.845 119.600 -0.349 0.000 2.229 277 M HA -0.077 4.400 4.480 -0.006 0.000 0.264 277 M C 1.513 177.761 176.300 -0.087 0.000 1.063 277 M CA 1.421 56.601 55.300 -0.200 0.000 1.114 277 M CB -0.302 32.128 32.600 -0.283 0.000 1.387 277 M HN 0.483 nan 8.290 nan 0.000 0.420 278 V N -4.091 115.838 119.914 0.025 0.000 3.329 278 V HA 0.646 4.762 4.120 -0.006 0.000 0.317 278 V C 0.104 176.221 176.094 0.037 0.000 1.495 278 V CA -0.264 61.889 62.300 -0.245 0.000 1.105 278 V CB -0.389 31.023 31.823 -0.685 0.000 0.985 278 V HN 0.131 nan 8.190 nan 0.000 0.475 279 A N 1.959 124.916 122.820 0.229 0.000 2.359 279 A HA 0.928 5.244 4.320 -0.006 0.000 0.303 279 A C -3.010 174.735 177.584 0.268 0.000 1.066 279 A CA -1.714 50.418 52.037 0.158 0.000 0.730 279 A CB 1.367 20.323 19.000 -0.073 0.000 1.211 279 A HN 0.210 nan 8.150 nan 0.000 0.439 280 P HA 0.296 nan 4.420 nan 0.000 0.269 280 P C 0.197 177.435 177.300 -0.104 0.000 1.209 280 P CA 0.111 63.230 63.100 0.031 0.000 0.776 280 P CB 0.768 32.407 31.700 -0.102 0.000 0.876 281 A N 2.709 125.355 122.820 -0.291 0.000 2.546 281 A HA 0.265 4.581 4.320 -0.006 0.000 0.243 281 A C 1.764 179.039 177.584 -0.515 0.000 1.063 281 A CA 0.426 51.970 52.037 -0.822 0.000 0.757 281 A CB -0.514 18.130 19.000 -0.592 0.000 0.991 281 A HN 0.624 nan 8.150 nan 0.000 0.503 282 A N 2.413 124.909 122.820 -0.540 0.000 1.978 282 A HA -0.171 4.145 4.320 -0.006 0.000 0.220 282 A C 1.593 179.054 177.584 -0.204 0.000 1.170 282 A CA 2.021 53.895 52.037 -0.272 0.000 0.636 282 A CB -0.527 18.357 19.000 -0.194 0.000 0.810 282 A HN 0.961 nan 8.150 nan 0.000 0.448 283 D N -1.628 118.636 120.400 -0.226 0.000 2.348 283 D HA 0.169 4.806 4.640 -0.006 0.000 0.216 283 D C 1.304 177.534 176.300 -0.116 0.000 0.970 283 D CA 1.035 54.950 54.000 -0.143 0.000 0.889 283 D CB -0.948 39.778 40.800 -0.123 0.000 0.912 283 D HN 0.803 nan 8.370 nan 0.000 0.524 284 G N -0.157 108.554 108.800 -0.148 0.000 2.180 284 G HA2 -0.351 3.606 3.960 -0.006 0.000 0.263 284 G HA3 -0.351 3.606 3.960 -0.006 0.000 0.263 284 G C 1.113 175.968 174.900 -0.074 0.000 0.989 284 G CA 0.687 45.714 45.100 -0.122 0.000 0.692 284 G HN 0.378 nan 8.290 nan 0.000 0.526 285 V N 0.307 120.178 119.914 -0.072 0.000 2.307 285 V HA -0.115 4.001 4.120 -0.006 0.000 0.245 285 V C 2.876 178.963 176.094 -0.012 0.000 1.045 285 V CA 2.342 64.620 62.300 -0.036 0.000 1.024 285 V CB -0.367 31.434 31.823 -0.036 0.000 0.651 285 V HN 0.427 nan 8.190 nan 0.000 0.449 286 R N 0.343 120.835 120.500 -0.012 0.000 2.115 286 R HA 0.102 4.438 4.340 -0.006 0.000 0.226 286 R C 2.291 178.622 176.300 0.051 0.000 1.100 286 R CA 1.289 57.402 56.100 0.021 0.000 0.980 286 R CB -1.210 29.108 30.300 0.031 0.000 0.875 286 R HN 0.523 nan 8.270 nan 0.000 0.445 287 A N 0.736 123.579 122.820 0.038 0.000 1.902 287 A HA -0.044 4.272 4.320 -0.006 0.000 0.217 287 A C 2.413 180.083 177.584 0.144 0.000 1.181 287 A CA 1.754 53.871 52.037 0.133 0.000 0.623 287 A CB -1.075 17.890 19.000 -0.059 0.000 0.818 287 A HN 0.382 nan 8.150 nan 0.000 0.443 288 G N -0.453 108.386 108.800 0.064 0.000 2.422 288 G HA2 -0.265 3.691 3.960 -0.006 0.000 0.218 288 G HA3 -0.265 3.691 3.960 -0.006 0.000 0.218 288 G C 1.683 176.608 174.900 0.042 0.000 1.146 288 G CA 1.287 46.418 45.100 0.052 0.000 0.769 288 G HN 0.538 nan 8.290 nan 0.000 0.547 289 R N 1.131 121.653 120.500 0.037 0.000 2.115 289 R HA 0.174 4.511 4.340 -0.006 0.000 0.230 289 R C 2.634 178.951 176.300 0.027 0.000 1.111 289 R CA 1.653 57.769 56.100 0.028 0.000 0.976 289 R CB -0.718 29.598 30.300 0.027 0.000 0.870 289 R HN 0.219 nan 8.270 nan 0.000 0.445 290 A N 0.325 123.172 122.820 0.045 0.000 1.930 290 A HA -0.119 4.198 4.320 -0.006 0.000 0.217 290 A C 2.184 179.762 177.584 -0.011 0.000 1.175 290 A CA 1.646 53.696 52.037 0.022 0.000 0.627 290 A CB -0.436 18.590 19.000 0.043 0.000 0.815 290 A HN 0.406 nan 8.150 nan 0.000 0.443 291 M N -0.804 118.803 119.600 0.011 0.000 2.086 291 M HA -0.129 4.347 4.480 -0.006 0.000 0.261 291 M C 2.243 178.526 176.300 -0.028 0.000 1.067 291 M CA 2.025 57.317 55.300 -0.013 0.000 1.116 291 M CB -0.857 31.753 32.600 0.015 0.000 1.348 291 M HN 0.408 nan 8.290 nan 0.000 0.407 292 T N -0.179 114.368 114.554 -0.011 0.000 2.720 292 T HA -0.172 4.174 4.350 -0.006 0.000 0.268 292 T C 1.804 176.488 174.700 -0.026 0.000 1.037 292 T CA 1.536 63.626 62.100 -0.017 0.000 1.144 292 T CB -0.336 68.530 68.868 -0.004 0.000 0.864 292 T HN 0.220 nan 8.240 nan 0.000 0.444 293 R N 1.882 122.369 120.500 -0.022 0.000 2.096 293 R HA -0.073 4.263 4.340 -0.006 0.000 0.235 293 R C 2.587 178.854 176.300 -0.055 0.000 1.127 293 R CA 2.019 58.107 56.100 -0.020 0.000 0.968 293 R CB -0.885 29.411 30.300 -0.008 0.000 0.861 293 R HN 0.486 nan 8.270 nan 0.000 0.440 294 S N -0.265 115.374 115.700 -0.101 0.000 2.399 294 S HA -0.094 4.372 4.470 -0.006 0.000 0.231 294 S C 1.965 176.470 174.600 -0.159 0.000 1.022 294 S CA 1.244 59.334 58.200 -0.183 0.000 0.983 294 S CB -0.409 62.661 63.200 -0.216 0.000 0.803 294 S HN 0.385 nan 8.310 nan 0.000 0.480 295 L N 0.748 121.907 121.223 -0.106 0.000 2.095 295 L HA 0.060 4.396 4.340 -0.006 0.000 0.204 295 L C 2.941 179.769 176.870 -0.070 0.000 1.080 295 L CA 1.280 56.060 54.840 -0.100 0.000 0.759 295 L CB -0.700 41.311 42.059 -0.081 0.000 0.914 295 L HN 0.334 nan 8.230 nan 0.000 0.439 296 E N 0.701 120.878 120.200 -0.040 0.000 2.049 296 E HA -0.249 4.098 4.350 -0.006 0.000 0.198 296 E C 2.306 178.918 176.600 0.020 0.000 1.007 296 E CA 1.400 57.794 56.400 -0.011 0.000 0.809 296 E CB -0.212 29.493 29.700 0.008 0.000 0.749 296 E HN 0.422 nan 8.360 nan 0.000 0.450 297 L N 0.138 121.396 121.223 0.060 0.000 2.141 297 L HA -0.126 4.211 4.340 -0.006 0.000 0.209 297 L C 2.426 179.403 176.870 0.178 0.000 1.094 297 L CA 0.795 55.761 54.840 0.211 0.000 0.763 297 L CB -0.282 41.942 42.059 0.274 0.000 0.908 297 L HN 0.141 nan 8.230 nan 0.000 0.437 298 A N -0.419 122.410 122.820 0.015 0.000 2.016 298 A HA 0.225 4.541 4.320 -0.006 0.000 0.217 298 A C 1.675 179.243 177.584 -0.027 0.000 1.162 298 A CA 0.900 52.928 52.037 -0.015 0.000 0.662 298 A CB -0.362 18.562 19.000 -0.126 0.000 0.812 298 A HN 0.488 nan 8.150 nan 0.000 0.450 299 G N -1.181 107.590 108.800 -0.049 0.000 2.255 299 G HA2 -0.136 3.820 3.960 -0.006 0.000 0.239 299 G HA3 -0.136 3.820 3.960 -0.006 0.000 0.239 299 G C -0.253 174.577 174.900 -0.116 0.000 1.083 299 G CA 0.256 45.316 45.100 -0.066 0.000 0.826 299 G HN 0.465 nan 8.290 nan 0.000 0.493 300 L N -0.033 121.104 121.223 -0.143 0.000 2.323 300 L HA 0.775 5.111 4.340 -0.006 0.000 0.265 300 L C 0.537 177.337 176.870 -0.117 0.000 1.012 300 L CA -1.096 53.626 54.840 -0.196 0.000 0.820 300 L CB 2.195 44.066 42.059 -0.314 0.000 1.334 300 L HN 0.195 nan 8.230 nan 0.000 0.427 301 S N 0.312 115.954 115.700 -0.097 0.000 2.651 301 S HA 0.369 4.835 4.470 -0.006 0.000 0.291 301 S C -2.079 172.497 174.600 -0.040 0.000 1.141 301 S CA -1.231 56.939 58.200 -0.051 0.000 1.027 301 S CB 1.582 64.766 63.200 -0.027 0.000 1.043 301 S HN 0.416 nan 8.310 nan 0.000 0.530 302 P HA -0.059 nan 4.420 nan 0.000 0.221 302 P C 1.164 178.473 177.300 0.015 0.000 1.145 302 P CA 0.997 64.095 63.100 -0.004 0.000 0.795 302 P CB -0.087 31.613 31.700 -0.000 0.000 0.775 303 A N -0.083 122.746 122.820 0.016 0.000 2.019 303 A HA -0.200 4.116 4.320 -0.006 0.000 0.219 303 A C 1.906 179.529 177.584 0.064 0.000 1.164 303 A CA 1.686 53.744 52.037 0.035 0.000 0.644 303 A CB -1.089 17.928 19.000 0.028 0.000 0.805 303 A HN 0.130 nan 8.150 nan 0.000 0.449 304 D N -0.209 120.224 120.400 0.055 0.000 2.317 304 D HA 0.014 4.650 4.640 -0.006 0.000 0.211 304 D C 0.172 176.603 176.300 0.219 0.000 0.966 304 D CA 0.368 54.447 54.000 0.133 0.000 0.876 304 D CB -0.007 40.773 40.800 -0.033 0.000 0.927 304 D HN 0.247 nan 8.370 nan 0.000 0.519 305 I N 2.455 123.104 120.570 0.131 0.000 2.329 305 I HA 0.004 4.171 4.170 -0.006 0.000 0.295 305 I C 0.824 177.038 176.117 0.161 0.000 1.109 305 I CA 0.074 61.462 61.300 0.148 0.000 1.297 305 I CB 0.613 38.658 38.000 0.076 0.000 1.433 305 I HN -0.227 nan 8.210 nan 0.000 0.509 306 D N 3.272 123.808 120.400 0.226 0.000 2.346 306 D HA -0.008 4.629 4.640 -0.006 0.000 0.206 306 D C 0.496 176.964 176.300 0.279 0.000 1.001 306 D CA 0.943 55.099 54.000 0.261 0.000 0.871 306 D CB 0.331 41.337 40.800 0.344 0.000 0.943 306 D HN 0.554 nan 8.370 nan 0.000 0.518 307 H N -0.516 118.602 119.070 0.080 0.000 2.954 307 H HA 0.475 5.027 4.556 -0.006 0.000 0.361 307 H C -1.766 173.569 175.328 0.013 0.000 1.122 307 H CA -0.700 55.331 56.048 -0.029 0.000 1.217 307 H CB 1.333 30.986 29.762 -0.181 0.000 1.776 307 H HN -0.356 nan 8.280 nan 0.000 0.533 308 V N 5.237 124.937 119.914 -0.358 0.000 2.444 308 V HA 0.252 4.368 4.120 -0.006 0.000 0.294 308 V C -0.086 175.689 176.094 -0.531 0.000 1.022 308 V CA -1.052 61.026 62.300 -0.370 0.000 0.850 308 V CB 1.536 33.288 31.823 -0.119 0.000 0.992 308 V HN 0.824 nan 8.190 nan 0.000 0.426 309 N N 3.998 122.405 118.700 -0.487 0.000 2.439 309 N HA 0.365 5.101 4.740 -0.006 0.000 0.243 309 N C -0.018 175.447 175.510 -0.075 0.000 1.088 309 N CA -0.115 52.815 53.050 -0.200 0.000 0.940 309 N CB 1.588 40.021 38.487 -0.089 0.000 1.180 309 N HN 0.838 nan 8.380 nan 0.000 0.505 310 A N 2.910 125.728 122.820 -0.002 0.000 2.388 310 A HA 0.089 4.405 4.320 -0.006 0.000 0.257 310 A C 1.193 178.820 177.584 0.071 0.000 1.095 310 A CA -0.232 51.871 52.037 0.111 0.000 0.791 310 A CB 0.252 19.438 19.000 0.308 0.000 1.029 310 A HN 0.888 nan 8.150 nan 0.000 0.489 311 H N 2.430 121.513 119.070 0.022 0.000 2.352 311 H HA -0.006 4.546 4.556 -0.006 0.000 0.299 311 H C 1.628 176.903 175.328 -0.089 0.000 1.097 311 H CA 1.704 57.724 56.048 -0.045 0.000 1.311 311 H CB -0.415 29.397 29.762 0.084 0.000 1.377 311 H HN 1.191 nan 8.280 nan 0.000 0.504 312 G N 0.530 109.293 108.800 -0.061 0.000 2.196 312 G HA2 -0.324 3.633 3.960 -0.006 0.000 0.261 312 G HA3 -0.324 3.633 3.960 -0.006 0.000 0.261 312 G C 1.134 175.795 174.900 -0.399 0.000 0.832 312 G CA 0.923 45.827 45.100 -0.327 0.000 1.246 312 G HN 0.752 nan 8.290 nan 0.000 0.383 313 T N -1.857 112.490 114.554 -0.346 0.000 2.995 313 T HA 0.356 4.702 4.350 -0.006 0.000 0.269 313 T C 1.936 176.563 174.700 -0.120 0.000 1.091 313 T CA 1.584 63.529 62.100 -0.258 0.000 1.128 313 T CB -0.005 68.805 68.868 -0.098 0.000 0.891 313 T HN 2.367 nan 8.240 nan 0.000 0.492 314 A N 0.751 123.459 122.820 -0.186 0.000 3.294 314 A HA -0.095 4.221 4.320 -0.006 0.000 0.242 314 A C 0.756 178.311 177.584 -0.048 0.000 1.282 314 A CA 0.777 52.733 52.037 -0.136 0.000 1.197 314 A CB -2.890 16.058 19.000 -0.088 0.000 1.145 314 A HN 1.311 nan 8.150 nan 0.000 0.898 315 T N -2.660 111.891 114.554 -0.006 0.000 2.869 315 T HA 0.551 4.897 4.350 -0.006 0.000 0.295 315 T C -1.067 173.637 174.700 0.006 0.000 0.987 315 T CA -1.069 61.054 62.100 0.038 0.000 1.109 315 T CB 1.300 70.239 68.868 0.119 0.000 0.932 315 T HN 0.028 nan 8.240 nan 0.000 0.518 316 P HA -0.072 nan 4.420 nan 0.000 0.215 316 P C 1.453 178.763 177.300 0.016 0.000 1.157 316 P CA 1.085 64.192 63.100 0.011 0.000 0.874 316 P CB -0.001 31.707 31.700 0.012 0.000 0.790 317 I N -1.582 119.002 120.570 0.024 0.000 2.406 317 I HA -0.085 4.082 4.170 -0.006 0.000 0.249 317 I C 2.446 178.572 176.117 0.016 0.000 1.122 317 I CA 1.390 62.702 61.300 0.020 0.000 1.431 317 I CB -1.008 37.008 38.000 0.025 0.000 1.087 317 I HN -0.008 nan 8.210 nan 0.000 0.424 318 G N 0.630 109.450 108.800 0.034 0.000 2.414 318 G HA2 -0.225 3.732 3.960 -0.006 0.000 0.215 318 G HA3 -0.225 3.732 3.960 -0.006 0.000 0.215 318 G C 1.212 176.109 174.900 -0.005 0.000 1.188 318 G CA 0.841 45.959 45.100 0.029 0.000 0.783 318 G HN 0.248 nan 8.290 nan 0.000 0.537 319 D N 1.009 121.383 120.400 -0.044 0.000 2.144 319 D HA -0.010 4.627 4.640 -0.006 0.000 0.199 319 D C 2.768 179.153 176.300 0.142 0.000 0.984 319 D CA 1.173 55.132 54.000 -0.069 0.000 0.834 319 D CB -0.428 40.195 40.800 -0.295 0.000 0.955 319 D HN 0.303 nan 8.370 nan 0.000 0.465 320 A N 0.957 123.824 122.820 0.079 0.000 1.902 320 A HA -0.033 4.283 4.320 -0.006 0.000 0.217 320 A C 2.311 179.913 177.584 0.030 0.000 1.181 320 A CA 2.193 54.274 52.037 0.074 0.000 0.623 320 A CB -0.800 18.221 19.000 0.036 0.000 0.818 320 A HN 0.232 nan 8.150 nan 0.000 0.443 321 A N -0.363 122.442 122.820 -0.025 0.000 1.877 321 A HA -0.207 4.109 4.320 -0.006 0.000 0.216 321 A C 2.060 179.585 177.584 -0.099 0.000 1.186 321 A CA 1.892 53.869 52.037 -0.100 0.000 0.620 321 A CB -0.583 18.315 19.000 -0.171 0.000 0.822 321 A HN 0.678 nan 8.150 nan 0.000 0.443 322 E N -0.207 119.961 120.200 -0.053 0.000 2.072 322 E HA -0.095 4.251 4.350 -0.006 0.000 0.191 322 E C 2.138 178.808 176.600 0.116 0.000 0.985 322 E CA 0.952 57.370 56.400 0.029 0.000 0.801 322 E CB -0.272 29.556 29.700 0.213 0.000 0.750 322 E HN 0.525 nan 8.360 nan 0.000 0.452 323 A N 1.521 124.437 122.820 0.160 0.000 1.892 323 A HA -0.253 4.064 4.320 -0.006 0.000 0.218 323 A C 2.001 179.602 177.584 0.028 0.000 1.188 323 A CA 1.798 53.884 52.037 0.082 0.000 0.631 323 A CB -0.722 18.338 19.000 0.101 0.000 0.822 323 A HN 0.293 nan 8.150 nan 0.000 0.447 324 N N 0.160 118.868 118.700 0.013 0.000 2.166 324 N HA -0.107 4.630 4.740 -0.006 0.000 0.186 324 N C 1.945 177.447 175.510 -0.013 0.000 1.019 324 N CA 1.480 54.523 53.050 -0.012 0.000 0.856 324 N CB -0.517 37.948 38.487 -0.037 0.000 0.993 324 N HN 0.487 nan 8.380 nan 0.000 0.426 325 A N 1.516 124.327 122.820 -0.014 0.000 1.858 325 A HA -0.083 4.233 4.320 -0.006 0.000 0.216 325 A C 2.348 179.954 177.584 0.037 0.000 1.190 325 A CA 0.952 52.993 52.037 0.007 0.000 0.617 325 A CB -0.749 18.259 19.000 0.013 0.000 0.827 325 A HN 0.205 nan 8.150 nan 0.000 0.443 326 I N -0.815 119.785 120.570 0.050 0.000 2.151 326 I HA -0.320 3.846 4.170 -0.006 0.000 0.243 326 I C 2.735 178.860 176.117 0.012 0.000 1.080 326 I CA 2.017 63.337 61.300 0.034 0.000 1.339 326 I CB -0.334 37.677 38.000 0.019 0.000 1.039 326 I HN 0.417 nan 8.210 nan 0.000 0.409 327 R N 0.845 121.348 120.500 0.004 0.000 2.081 327 R HA -0.142 4.194 4.340 -0.006 0.000 0.235 327 R C 2.275 178.576 176.300 0.001 0.000 1.131 327 R CA 1.514 57.613 56.100 -0.001 0.000 0.960 327 R CB -0.267 30.031 30.300 -0.004 0.000 0.856 327 R HN 0.137 nan 8.270 nan 0.000 0.436 328 V N 1.064 120.978 119.914 0.000 0.000 2.392 328 V HA -0.217 3.899 4.120 -0.006 0.000 0.249 328 V C 2.277 178.373 176.094 0.004 0.000 1.059 328 V CA 1.964 64.264 62.300 -0.001 0.000 1.051 328 V CB -0.569 31.251 31.823 -0.005 0.000 0.658 328 V HN 0.585 nan 8.190 nan 0.000 0.455 329 A N -0.845 121.981 122.820 0.010 0.000 2.206 329 A HA 0.351 4.667 4.320 -0.006 0.000 0.211 329 A C 1.961 179.548 177.584 0.005 0.000 1.158 329 A CA 1.077 53.120 52.037 0.010 0.000 0.761 329 A CB -0.481 18.529 19.000 0.017 0.000 0.801 329 A HN 1.263 nan 8.150 nan 0.000 0.473 330 G N -2.680 106.123 108.800 0.005 0.000 2.136 330 G HA2 -0.269 3.687 3.960 -0.006 0.000 0.242 330 G HA3 -0.269 3.687 3.960 -0.006 0.000 0.242 330 G C 0.448 175.354 174.900 0.009 0.000 0.989 330 G CA 0.263 45.366 45.100 0.006 0.000 0.682 330 G HN 0.657 nan 8.290 nan 0.000 0.522 331 C N 1.435 120.741 119.300 0.009 0.000 2.778 331 C HA 0.286 4.742 4.460 -0.006 0.000 0.294 331 C C 1.826 176.820 174.990 0.007 0.000 1.331 331 C CA 0.039 59.065 59.018 0.013 0.000 1.741 331 C CB -0.458 27.289 27.740 0.011 0.000 2.106 331 C HN 0.675 nan 8.230 nan 0.000 0.603 332 D N 0.112 120.513 120.400 0.002 0.000 2.363 332 D HA -0.097 4.539 4.640 -0.006 0.000 0.226 332 D C 1.420 177.718 176.300 -0.004 0.000 1.020 332 D CA 0.702 54.696 54.000 -0.011 0.000 0.892 332 D CB -0.147 40.644 40.800 -0.015 0.000 0.900 332 D HN 0.395 nan 8.370 nan 0.000 0.531 333 Q N 0.323 120.131 119.800 0.013 0.000 2.360 333 Q HA 0.291 4.627 4.340 -0.006 0.000 0.202 333 Q C 0.558 176.585 176.000 0.045 0.000 0.915 333 Q CA -0.060 55.759 55.803 0.026 0.000 0.943 333 Q CB 0.528 29.285 28.738 0.032 0.000 1.064 333 Q HN 0.365 nan 8.270 nan 0.000 0.511 334 A N 1.031 123.876 122.820 0.043 0.000 2.388 334 A HA 0.570 4.886 4.320 -0.006 0.000 0.257 334 A C 0.062 177.686 177.584 0.066 0.000 1.095 334 A CA -0.082 51.998 52.037 0.072 0.000 0.791 334 A CB 0.365 19.400 19.000 0.059 0.000 1.029 334 A HN 0.246 nan 8.150 nan 0.000 0.489 335 A N 2.150 125.039 122.820 0.115 0.000 2.491 335 A HA 0.480 4.796 4.320 -0.006 0.000 0.261 335 A C 0.072 177.736 177.584 0.135 0.000 1.101 335 A CA -0.057 52.037 52.037 0.095 0.000 0.772 335 A CB -0.369 18.686 19.000 0.091 0.000 1.043 335 A HN 0.955 nan 8.150 nan 0.000 0.501 336 V N 3.902 123.843 119.914 0.045 0.000 2.427 336 V HA 0.316 4.432 4.120 -0.006 0.000 0.286 336 V C -0.514 175.668 176.094 0.147 0.000 1.034 336 V CA -0.356 61.967 62.300 0.037 0.000 0.893 336 V CB 1.160 32.897 31.823 -0.144 0.000 0.982 336 V HN 0.770 nan 8.190 nan 0.000 0.452 337 Y N 3.718 124.068 120.300 0.083 0.000 2.393 337 Y HA 0.727 5.273 4.550 -0.007 0.000 0.341 337 Y C -0.002 175.951 175.900 0.088 0.000 0.988 337 Y CA -1.700 56.453 58.100 0.089 0.000 1.078 337 Y CB 1.830 40.405 38.460 0.191 0.000 1.203 337 Y HN 0.625 nan 8.280 nan 0.000 0.453 338 A N 8.850 131.511 122.820 -0.266 0.000 2.644 338 A HA 0.449 4.765 4.320 -0.006 0.000 0.343 338 A C -2.278 174.921 177.584 -0.642 0.000 1.324 338 A CA -1.519 50.318 52.037 -0.333 0.000 0.846 338 A CB 0.234 19.204 19.000 -0.051 0.000 1.128 338 A HN 0.620 nan 8.150 nan 0.000 0.484 339 P HA -0.152 nan 4.420 nan 0.000 0.225 339 P C 1.029 178.163 177.300 -0.277 0.000 1.148 339 P CA 1.012 63.723 63.100 -0.649 0.000 0.779 339 P CB 0.215 31.663 31.700 -0.420 0.000 0.780 340 K N 0.569 120.803 120.400 -0.276 0.000 2.211 340 K HA -0.104 4.212 4.320 -0.006 0.000 0.204 340 K C 2.329 178.856 176.600 -0.121 0.000 1.047 340 K CA 1.733 57.897 56.287 -0.204 0.000 0.935 340 K CB -0.492 31.832 32.500 -0.294 0.000 0.728 340 K HN 0.261 nan 8.250 nan 0.000 0.452 341 S N 0.629 116.255 115.700 -0.123 0.000 2.400 341 S HA -0.165 4.302 4.470 -0.006 0.000 0.232 341 S C 2.030 176.625 174.600 -0.009 0.000 1.025 341 S CA 1.221 59.393 58.200 -0.048 0.000 0.993 341 S CB -0.064 63.125 63.200 -0.018 0.000 0.808 341 S HN 0.328 nan 8.310 nan 0.000 0.478 342 A N 0.424 123.240 122.820 -0.007 0.000 2.013 342 A HA 0.576 4.892 4.320 -0.006 0.000 0.204 342 A C 1.953 179.556 177.584 0.031 0.000 1.262 342 A CA 0.122 52.178 52.037 0.031 0.000 0.800 342 A CB -0.076 18.966 19.000 0.070 0.000 0.909 342 A HN 0.462 nan 8.150 nan 0.000 0.472 343 L N -0.642 120.588 121.223 0.011 0.000 2.693 343 L HA 0.346 4.683 4.340 -0.006 0.000 0.235 343 L C 1.323 178.208 176.870 0.024 0.000 1.127 343 L CA 0.316 55.173 54.840 0.028 0.000 0.914 343 L CB -0.074 42.003 42.059 0.030 0.000 1.193 343 L HN 0.584 nan 8.230 nan 0.000 0.502 344 G N 0.263 109.065 108.800 0.004 0.000 2.692 344 G HA2 -0.314 3.642 3.960 -0.006 0.000 0.248 344 G HA3 -0.314 3.642 3.960 -0.006 0.000 0.248 344 G C -0.614 174.307 174.900 0.035 0.000 1.340 344 G CA -0.447 44.677 45.100 0.039 0.000 0.896 344 G HN 0.290 nan 8.290 nan 0.000 0.570 345 H N 0.764 119.843 119.070 0.014 0.000 2.541 345 H HA 0.594 5.146 4.556 -0.006 0.000 0.316 345 H C 1.268 176.594 175.328 -0.003 0.000 1.043 345 H CA 0.021 56.008 56.048 -0.101 0.000 1.232 345 H CB 1.006 30.553 29.762 -0.359 0.000 1.406 345 H HN 0.756 nan 8.280 nan 0.000 0.469 346 S N 5.302 121.148 115.700 0.243 0.000 2.574 346 S HA 0.151 4.617 4.470 -0.006 0.000 0.242 346 S C 1.250 175.909 174.600 0.098 0.000 0.982 346 S CA -0.397 57.880 58.200 0.128 0.000 0.977 346 S CB -0.127 63.116 63.200 0.072 0.000 0.814 346 S HN 0.562 nan 8.310 nan 0.000 0.464 347 I N 1.452 122.123 120.570 0.168 0.000 4.904 347 I HA -0.355 3.811 4.170 -0.006 0.000 0.038 347 I C 2.183 178.340 176.117 0.067 0.000 0.635 347 I CA 1.904 63.194 61.300 -0.015 0.000 0.225 347 I CB -2.236 35.686 38.000 -0.130 0.000 0.329 347 I HN 0.428 nan 8.210 nan 0.000 0.150 348 G N 0.107 108.928 108.800 0.036 0.000 2.443 348 G HA2 0.103 4.059 3.960 -0.006 0.000 0.219 348 G HA3 0.103 4.059 3.960 -0.006 0.000 0.219 348 G C 1.436 176.362 174.900 0.043 0.000 1.131 348 G CA 1.770 46.894 45.100 0.041 0.000 0.775 348 G HN 1.011 nan 8.290 nan 0.000 0.547 349 A N -0.322 122.526 122.820 0.048 0.000 2.081 349 A HA 0.376 4.692 4.320 -0.006 0.000 0.214 349 A C 2.331 179.940 177.584 0.041 0.000 1.158 349 A CA 0.959 53.024 52.037 0.046 0.000 0.724 349 A CB -0.197 18.834 19.000 0.053 0.000 0.826 349 A HN 0.253 nan 8.150 nan 0.000 0.463 350 V N 0.049 119.993 119.914 0.049 0.000 2.427 350 V HA -0.111 4.005 4.120 -0.006 0.000 0.248 350 V C 2.403 178.497 176.094 0.001 0.000 1.051 350 V CA 2.240 64.549 62.300 0.016 0.000 1.048 350 V CB -0.586 31.219 31.823 -0.030 0.000 0.666 350 V HN 0.529 nan 8.190 nan 0.000 0.456 351 G N -1.137 107.674 108.800 0.019 0.000 2.443 351 G HA2 -0.126 3.830 3.960 -0.006 0.000 0.219 351 G HA3 -0.126 3.830 3.960 -0.006 0.000 0.219 351 G C 1.692 176.597 174.900 0.009 0.000 1.131 351 G CA 0.913 46.014 45.100 0.001 0.000 0.775 351 G HN 0.668 nan 8.290 nan 0.000 0.547 352 A N 0.764 123.596 122.820 0.020 0.000 1.855 352 A HA 0.100 4.416 4.320 -0.006 0.000 0.215 352 A C 2.317 179.909 177.584 0.013 0.000 1.191 352 A CA 1.559 53.613 52.037 0.028 0.000 0.613 352 A CB -0.557 18.464 19.000 0.035 0.000 0.829 352 A HN 0.475 nan 8.150 nan 0.000 0.442 353 L N 0.337 121.568 121.223 0.013 0.000 2.043 353 L HA -0.221 4.115 4.340 -0.006 0.000 0.212 353 L C 2.032 178.902 176.870 -0.001 0.000 1.075 353 L CA 2.691 57.538 54.840 0.011 0.000 0.752 353 L CB -0.658 41.412 42.059 0.019 0.000 0.891 353 L HN 0.549 nan 8.230 nan 0.000 0.432 354 E N -1.250 118.943 120.200 -0.011 0.000 2.216 354 E HA -0.099 4.247 4.350 -0.006 0.000 0.192 354 E C 2.100 178.676 176.600 -0.040 0.000 0.988 354 E CA 0.922 57.313 56.400 -0.015 0.000 0.834 354 E CB -0.003 29.675 29.700 -0.036 0.000 0.772 354 E HN 0.503 nan 8.360 nan 0.000 0.479 355 S N 0.387 116.060 115.700 -0.045 0.000 2.383 355 S HA -0.101 4.366 4.470 -0.006 0.000 0.227 355 S C 2.140 176.568 174.600 -0.287 0.000 1.026 355 S CA 0.617 58.751 58.200 -0.109 0.000 0.981 355 S CB 0.009 63.253 63.200 0.073 0.000 0.818 355 S HN 0.065 nan 8.310 nan 0.000 0.472 356 V N 2.086 121.903 119.914 -0.161 0.000 2.427 356 V HA -0.101 4.015 4.120 -0.006 0.000 0.248 356 V C 2.085 178.036 176.094 -0.238 0.000 1.051 356 V CA 1.349 63.538 62.300 -0.185 0.000 1.048 356 V CB -0.622 31.144 31.823 -0.095 0.000 0.666 356 V HN 0.425 nan 8.190 nan 0.000 0.456 357 L N -0.531 120.612 121.223 -0.133 0.000 2.056 357 L HA -0.137 4.199 4.340 -0.006 0.000 0.207 357 L C 2.624 179.421 176.870 -0.123 0.000 1.078 357 L CA 1.781 56.582 54.840 -0.065 0.000 0.749 357 L CB -1.022 41.166 42.059 0.215 0.000 0.901 357 L HN 0.341 nan 8.230 nan 0.000 0.433 358 T N -0.290 114.189 114.554 -0.125 0.000 2.684 358 T HA -0.176 4.171 4.350 -0.006 0.000 0.267 358 T C 2.044 176.554 174.700 -0.316 0.000 1.036 358 T CA 1.416 63.428 62.100 -0.147 0.000 1.148 358 T CB -0.328 68.386 68.868 -0.258 0.000 0.863 358 T HN 0.045 nan 8.240 nan 0.000 0.436 359 V N 1.840 121.441 119.914 -0.522 0.000 2.252 359 V HA -0.194 3.922 4.120 -0.006 0.000 0.249 359 V C 2.537 178.410 176.094 -0.368 0.000 1.056 359 V CA 1.741 63.776 62.300 -0.442 0.000 1.022 359 V CB -0.810 30.762 31.823 -0.418 0.000 0.641 359 V HN 0.462 nan 8.190 nan 0.000 0.445 360 L N -0.662 120.226 121.223 -0.559 0.000 2.083 360 L HA -0.186 4.150 4.340 -0.006 0.000 0.209 360 L C 2.619 179.111 176.870 -0.631 0.000 1.083 360 L CA 1.921 56.239 54.840 -0.870 0.000 0.752 360 L CB -1.179 39.815 42.059 -1.775 0.000 0.899 360 L HN 0.345 nan 8.230 nan 0.000 0.433 361 T N 0.482 114.804 114.554 -0.386 0.000 2.720 361 T HA -0.168 4.178 4.350 -0.006 0.000 0.268 361 T C 1.983 176.683 174.700 0.001 0.000 1.037 361 T CA 1.394 63.489 62.100 -0.008 0.000 1.144 361 T CB -0.198 68.608 68.868 -0.104 0.000 0.864 361 T HN 0.200 nan 8.240 nan 0.000 0.444 362 L N 0.129 121.326 121.223 -0.043 0.000 2.072 362 L HA 0.013 4.349 4.340 -0.006 0.000 0.205 362 L C 2.865 179.753 176.870 0.030 0.000 1.079 362 L CA 1.140 55.998 54.840 0.031 0.000 0.752 362 L CB -0.443 41.632 42.059 0.026 0.000 0.906 362 L HN 0.125 nan 8.230 nan 0.000 0.436 363 R N 0.181 120.659 120.500 -0.037 0.000 2.081 363 R HA -0.171 4.165 4.340 -0.006 0.000 0.235 363 R C 1.116 177.442 176.300 0.042 0.000 1.131 363 R CA 1.899 57.988 56.100 -0.018 0.000 0.960 363 R CB 0.013 30.251 30.300 -0.102 0.000 0.856 363 R HN 0.322 nan 8.270 nan 0.000 0.436 364 D N -1.609 118.840 120.400 0.080 0.000 2.369 364 D HA 0.135 4.771 4.640 -0.006 0.000 0.211 364 D C 0.529 176.969 176.300 0.233 0.000 1.077 364 D CA 0.823 54.938 54.000 0.193 0.000 0.842 364 D CB 0.823 41.830 40.800 0.344 0.000 0.947 364 D HN 0.449 nan 8.370 nan 0.000 0.509 365 G N 1.095 110.022 108.800 0.211 0.000 2.295 365 G HA2 -0.180 3.776 3.960 -0.006 0.000 0.287 365 G HA3 -0.180 3.776 3.960 -0.006 0.000 0.287 365 G C -0.051 175.026 174.900 0.296 0.000 1.055 365 G CA 0.607 45.865 45.100 0.262 0.000 0.922 365 G HN 0.408 nan 8.290 nan 0.000 0.503 366 V N -0.094 119.933 119.914 0.188 0.000 2.969 366 V HA 0.710 4.826 4.120 -0.006 0.000 0.304 366 V C -0.618 175.326 176.094 -0.251 0.000 1.192 366 V CA -1.163 61.048 62.300 -0.148 0.000 0.962 366 V CB 1.936 33.304 31.823 -0.758 0.000 1.045 366 V HN 0.381 nan 8.190 nan 0.000 0.428 367 I N 7.651 127.958 120.570 -0.438 0.000 2.378 367 I HA 0.469 4.635 4.170 -0.006 0.000 0.291 367 I C -2.315 173.385 176.117 -0.694 0.000 0.992 367 I CA -2.121 58.797 61.300 -0.636 0.000 1.154 367 I CB 2.172 39.755 38.000 -0.696 0.000 1.315 367 I HN 0.473 nan 8.210 nan 0.000 0.448 368 P HA 0.097 nan 4.420 nan 0.000 0.271 368 P C -2.516 174.444 177.300 -0.566 0.000 1.233 368 P CA -1.076 61.529 63.100 -0.825 0.000 0.789 368 P CB -0.288 30.889 31.700 -0.872 0.000 0.951 369 P HA 0.042 nan 4.420 nan 0.000 0.276 369 P C -0.604 176.789 177.300 0.155 0.000 1.230 369 P CA 0.162 63.233 63.100 -0.048 0.000 0.776 369 P CB 0.028 31.715 31.700 -0.021 0.000 0.888 370 T N 4.633 119.314 114.554 0.212 0.000 2.761 370 T HA 0.155 4.501 4.350 -0.006 0.000 0.287 370 T C 0.786 175.579 174.700 0.156 0.000 0.931 370 T CA -0.098 62.130 62.100 0.213 0.000 1.164 370 T CB -0.444 68.486 68.868 0.102 0.000 0.876 370 T HN 0.200 nan 8.240 nan 0.000 0.534 371 L N 4.087 125.389 121.223 0.131 0.000 2.483 371 L HA 0.109 4.445 4.340 -0.006 0.000 0.275 371 L C 1.035 177.978 176.870 0.122 0.000 1.220 371 L CA -0.328 54.575 54.840 0.105 0.000 0.833 371 L CB 0.068 42.171 42.059 0.073 0.000 1.102 371 L HN 0.750 nan 8.230 nan 0.000 0.490 372 N N 0.156 118.923 118.700 0.112 0.000 2.800 372 N HA -0.290 4.446 4.740 -0.006 0.000 0.250 372 N C -0.568 175.036 175.510 0.157 0.000 1.078 372 N CA 0.873 53.984 53.050 0.101 0.000 0.804 372 N CB -1.497 37.031 38.487 0.069 0.000 1.135 372 N HN 0.586 nan 8.380 nan 0.000 0.565 373 Y N 1.630 121.963 120.300 0.054 0.000 2.595 373 Y HA 0.295 4.841 4.550 -0.006 0.000 0.347 373 Y C 1.236 177.167 175.900 0.051 0.000 1.025 373 Y CA 0.125 58.266 58.100 0.068 0.000 1.295 373 Y CB 0.294 38.812 38.460 0.097 0.000 1.147 373 Y HN 0.047 nan 8.280 nan 0.000 0.515 374 E N 1.827 121.929 120.200 -0.164 0.000 2.399 374 E HA 0.147 4.493 4.350 -0.006 0.000 0.206 374 E C -0.376 176.097 176.600 -0.211 0.000 0.812 374 E CA 0.267 56.582 56.400 -0.141 0.000 1.138 374 E CB 0.893 30.563 29.700 -0.050 0.000 1.140 374 E HN 0.370 nan 8.360 nan 0.000 0.536 375 T N 3.408 117.824 114.554 -0.230 0.000 2.892 375 T HA 0.319 4.666 4.350 -0.006 0.000 0.311 375 T C -2.786 171.765 174.700 -0.249 0.000 1.033 375 T CA -1.531 60.451 62.100 -0.196 0.000 0.991 375 T CB 1.784 70.594 68.868 -0.096 0.000 0.981 375 T HN -0.154 nan 8.240 nan 0.000 0.457 376 P HA 0.073 nan 4.420 nan 0.000 0.268 376 P C -0.092 177.193 177.300 -0.024 0.000 1.204 376 P CA -0.368 62.611 63.100 -0.201 0.000 0.768 376 P CB 0.447 32.085 31.700 -0.104 0.000 0.842 377 D N 5.261 125.704 120.400 0.073 0.000 2.472 377 D HA -0.029 4.607 4.640 -0.006 0.000 0.248 377 D C -1.180 175.160 176.300 0.066 0.000 1.174 377 D CA -1.508 52.538 54.000 0.078 0.000 0.883 377 D CB 0.551 41.429 40.800 0.129 0.000 1.149 377 D HN 0.233 nan 8.370 nan 0.000 0.488 378 P HA -0.072 nan 4.420 nan 0.000 0.230 378 P C 0.533 177.854 177.300 0.035 0.000 1.158 378 P CA 0.616 63.734 63.100 0.029 0.000 0.769 378 P CB 0.534 32.244 31.700 0.016 0.000 0.807 379 E N -0.457 119.770 120.200 0.044 0.000 2.479 379 E HA 0.179 4.525 4.350 -0.006 0.000 0.193 379 E C 0.647 177.279 176.600 0.053 0.000 1.049 379 E CA 0.021 56.446 56.400 0.041 0.000 0.870 379 E CB 0.348 30.069 29.700 0.036 0.000 0.944 379 E HN 0.407 nan 8.360 nan 0.000 0.492 380 I N 1.185 121.800 120.570 0.075 0.000 2.418 380 I HA 0.150 4.316 4.170 -0.006 0.000 0.287 380 I C -0.564 175.586 176.117 0.055 0.000 1.008 380 I CA -0.650 60.698 61.300 0.080 0.000 1.104 380 I CB 1.762 39.859 38.000 0.160 0.000 1.264 380 I HN -0.309 nan 8.210 nan 0.000 0.438 381 D N 8.099 128.510 120.400 0.018 0.000 2.432 381 D HA 0.522 5.158 4.640 -0.006 0.000 0.265 381 D C -1.094 175.187 176.300 -0.031 0.000 1.160 381 D CA -0.034 53.972 54.000 0.010 0.000 0.911 381 D CB 0.530 41.338 40.800 0.013 0.000 1.052 381 D HN 0.289 nan 8.370 nan 0.000 0.508 382 L N 1.101 122.281 121.223 -0.071 0.000 2.323 382 L HA 0.443 4.779 4.340 -0.006 0.000 0.265 382 L C 0.116 176.927 176.870 -0.098 0.000 1.012 382 L CA -1.132 53.624 54.840 -0.140 0.000 0.820 382 L CB 1.889 43.743 42.059 -0.342 0.000 1.334 382 L HN 0.031 nan 8.230 nan 0.000 0.427 383 D N 1.422 121.769 120.400 -0.089 0.000 2.619 383 D HA 0.178 4.814 4.640 -0.006 0.000 0.224 383 D C -0.580 175.655 176.300 -0.108 0.000 1.133 383 D CA -0.168 53.802 54.000 -0.050 0.000 1.017 383 D CB 0.154 40.950 40.800 -0.006 0.000 1.077 383 D HN 0.063 nan 8.370 nan 0.000 0.503 384 V N 3.003 122.784 119.914 -0.221 0.000 2.446 384 V HA 0.042 4.158 4.120 -0.006 0.000 0.276 384 V C 0.795 176.762 176.094 -0.212 0.000 1.030 384 V CA -0.700 61.378 62.300 -0.369 0.000 1.033 384 V CB 1.156 32.406 31.823 -0.956 0.000 0.993 384 V HN 0.136 nan 8.190 nan 0.000 0.477 385 V N 5.334 125.195 119.914 -0.089 0.000 2.529 385 V HA 0.530 4.646 4.120 -0.006 0.000 0.292 385 V C 0.608 176.697 176.094 -0.010 0.000 1.028 385 V CA 0.664 62.944 62.300 -0.033 0.000 1.074 385 V CB 0.414 32.205 31.823 -0.053 0.000 0.958 385 V HN 1.107 nan 8.190 nan 0.000 0.481 386 A N 3.561 126.408 122.820 0.044 0.000 2.606 386 A HA 0.846 5.162 4.320 -0.006 0.000 0.293 386 A C 0.690 178.328 177.584 0.090 0.000 1.082 386 A CA 0.189 52.294 52.037 0.113 0.000 0.685 386 A CB 1.440 20.616 19.000 0.295 0.000 1.284 386 A HN 1.806 nan 8.150 nan 0.000 0.408 387 G N 0.116 108.965 108.800 0.081 0.000 4.365 387 G HA2 -0.102 3.854 3.960 -0.006 0.000 0.214 387 G HA3 -0.102 3.854 3.960 -0.006 0.000 0.214 387 G C 0.134 175.048 174.900 0.023 0.000 1.450 387 G CA 1.012 46.145 45.100 0.054 0.000 0.937 387 G HN 1.867 nan 8.290 nan 0.000 0.625 388 E N 1.040 121.245 120.200 0.008 0.000 2.446 388 E HA 0.632 4.978 4.350 -0.006 0.000 0.276 388 E C -3.323 173.238 176.600 -0.065 0.000 0.969 388 E CA -2.164 54.224 56.400 -0.020 0.000 0.800 388 E CB 1.507 31.207 29.700 0.001 0.000 1.341 388 E HN 0.256 nan 8.360 nan 0.000 0.460 389 P HA 0.119 nan 4.420 nan 0.000 0.267 389 P C -0.524 176.685 177.300 -0.151 0.000 1.200 389 P CA -0.006 62.956 63.100 -0.230 0.000 0.772 389 P CB 0.420 31.923 31.700 -0.328 0.000 0.855 390 R N 3.038 123.428 120.500 -0.185 0.000 2.287 390 R HA 0.268 4.604 4.340 -0.006 0.000 0.316 390 R C -0.642 175.653 176.300 -0.009 0.000 1.050 390 R CA -0.630 55.447 56.100 -0.038 0.000 0.983 390 R CB -0.109 30.205 30.300 0.023 0.000 1.140 390 R HN 0.397 nan 8.270 nan 0.000 0.528 391 Y N 1.687 122.014 120.300 0.046 0.000 2.597 391 Y HA 0.359 4.905 4.550 -0.006 0.000 0.336 391 Y C 1.330 177.191 175.900 -0.065 0.000 1.216 391 Y CA 1.504 59.626 58.100 0.037 0.000 1.463 391 Y CB 1.358 39.811 38.460 -0.013 0.000 1.303 391 Y HN 0.765 nan 8.280 nan 0.000 0.576 392 G N 1.207 109.907 108.800 -0.167 0.000 2.495 392 G HA2 0.243 4.199 3.960 -0.006 0.000 0.294 392 G HA3 0.243 4.199 3.960 -0.006 0.000 0.294 392 G C -2.082 172.318 174.900 -0.834 0.000 1.397 392 G CA -0.982 43.747 45.100 -0.617 0.000 0.790 392 G HN 0.369 nan 8.290 nan 0.000 0.486 393 D N 0.108 120.098 120.400 -0.683 0.000 2.456 393 D HA 0.474 5.111 4.640 -0.006 0.000 0.219 393 D C -1.034 175.022 176.300 -0.407 0.000 1.126 393 D CA -0.182 53.572 54.000 -0.411 0.000 0.890 393 D CB 0.063 40.741 40.800 -0.204 0.000 1.025 393 D HN 0.205 nan 8.370 nan 0.000 0.511 394 Y N 3.098 123.392 120.300 -0.011 0.000 2.593 394 Y HA 0.343 4.889 4.550 -0.007 0.000 0.331 394 Y C 1.588 177.458 175.900 -0.050 0.000 0.986 394 Y CA -0.792 57.306 58.100 -0.004 0.000 1.262 394 Y CB 0.945 39.403 38.460 -0.004 0.000 1.098 394 Y HN 0.197 nan 8.280 nan 0.000 0.506 395 R N 1.436 121.946 120.500 0.016 0.000 2.080 395 R HA 0.055 4.391 4.340 -0.006 0.000 0.222 395 R C -0.662 175.328 176.300 -0.517 0.000 1.107 395 R CA 0.977 56.902 56.100 -0.292 0.000 0.980 395 R CB 0.149 30.257 30.300 -0.320 0.000 0.879 395 R HN 0.437 nan 8.270 nan 0.000 0.439 396 Y N -1.000 119.389 120.300 0.150 0.000 2.534 396 Y HA 0.601 5.148 4.550 -0.005 0.000 0.345 396 Y C -0.477 175.518 175.900 0.157 0.000 1.031 396 Y CA -1.238 56.945 58.100 0.138 0.000 1.022 396 Y CB 2.131 40.647 38.460 0.094 0.000 1.292 396 Y HN -0.001 nan 8.280 nan 0.000 0.459 397 A N 1.362 124.373 122.820 0.319 0.000 2.498 397 A HA 0.886 5.202 4.320 -0.006 0.000 0.298 397 A C -1.825 175.851 177.584 0.154 0.000 1.075 397 A CA -0.792 51.371 52.037 0.209 0.000 0.714 397 A CB 1.406 20.543 19.000 0.228 0.000 1.299 397 A HN 0.474 nan 8.150 nan 0.000 0.407 398 V N 1.754 121.689 119.914 0.034 0.000 2.513 398 V HA 0.427 4.544 4.120 -0.006 0.000 0.299 398 V C -0.321 175.758 176.094 -0.025 0.000 1.035 398 V CA -0.698 61.609 62.300 0.013 0.000 0.889 398 V CB 1.784 33.591 31.823 -0.027 0.000 0.988 398 V HN 0.921 nan 8.190 nan 0.000 0.440 399 N N 3.904 122.626 118.700 0.036 0.000 2.424 399 N HA 0.336 5.072 4.740 -0.006 0.000 0.271 399 N C -0.745 174.715 175.510 -0.084 0.000 0.985 399 N CA -0.346 52.702 53.050 -0.003 0.000 0.921 399 N CB 0.880 39.428 38.487 0.101 0.000 1.149 399 N HN 0.605 nan 8.380 nan 0.000 0.492 400 N N 1.473 120.092 118.700 -0.136 0.000 2.456 400 N HA 0.413 5.149 4.740 -0.006 0.000 0.288 400 N C -1.228 174.011 175.510 -0.453 0.000 1.059 400 N CA -0.209 52.652 53.050 -0.315 0.000 0.946 400 N CB 1.504 39.855 38.487 -0.227 0.000 1.150 400 N HN 0.418 nan 8.380 nan 0.000 0.479 401 S N 1.116 116.348 115.700 -0.781 0.000 2.541 401 S HA 0.711 5.177 4.470 -0.006 0.000 0.280 401 S C -1.296 172.532 174.600 -1.286 0.000 1.112 401 S CA -0.549 57.137 58.200 -0.857 0.000 0.925 401 S CB 0.935 63.901 63.200 -0.390 0.000 1.067 401 S HN 0.319 nan 8.310 nan 0.000 0.479 402 F N 0.350 119.802 119.950 -0.830 0.000 2.599 402 F HA 0.829 5.352 4.527 -0.007 0.000 0.311 402 F C 0.600 176.250 175.800 -0.251 0.000 1.076 402 F CA -0.718 57.047 58.000 -0.392 0.000 0.937 402 F CB 2.146 41.005 39.000 -0.235 0.000 1.282 402 F HN 0.716 nan 8.300 nan 0.000 0.460 403 G N 0.556 109.480 108.800 0.207 0.000 2.659 403 G HA2 0.567 4.523 3.960 -0.006 0.000 0.296 403 G HA3 0.567 4.523 3.960 -0.006 0.000 0.296 403 G C -1.662 173.439 174.900 0.336 0.000 1.369 403 G CA -0.737 44.497 45.100 0.223 0.000 0.937 403 G HN 0.244 nan 8.290 nan 0.000 0.485 404 F N 0.882 120.950 119.950 0.197 0.000 2.623 404 F HA 0.351 4.874 4.527 -0.007 0.000 0.386 404 F C 1.655 177.481 175.800 0.044 0.000 1.068 404 F CA 1.300 59.377 58.000 0.128 0.000 1.265 404 F CB 0.844 39.927 39.000 0.139 0.000 1.026 404 F HN 1.089 nan 8.300 nan 0.000 0.568 405 G N 1.018 109.860 108.800 0.071 0.000 2.284 405 G HA2 0.110 4.066 3.960 -0.006 0.000 0.201 405 G HA3 0.110 4.066 3.960 -0.006 0.000 0.201 405 G C 0.836 175.464 174.900 -0.454 0.000 0.998 405 G CA 0.109 45.063 45.100 -0.243 0.000 0.651 405 G HN 1.817 nan 8.290 nan 0.000 0.489 406 G N -0.232 108.407 108.800 -0.269 0.000 2.134 406 G HA2 -0.158 3.798 3.960 -0.006 0.000 0.209 406 G HA3 -0.158 3.798 3.960 -0.006 0.000 0.209 406 G C -0.007 174.837 174.900 -0.094 0.000 0.993 406 G CA 0.492 45.520 45.100 -0.119 0.000 0.669 406 G HN 1.332 nan 8.290 nan 0.000 0.519 407 H N 0.920 120.086 119.070 0.161 0.000 2.690 407 H HA 0.401 4.953 4.556 -0.007 0.000 0.314 407 H C -0.066 175.370 175.328 0.181 0.000 1.069 407 H CA -0.201 55.927 56.048 0.134 0.000 1.436 407 H CB 0.673 30.493 29.762 0.098 0.000 1.462 407 H HN 0.235 nan 8.280 nan 0.000 0.511 408 N N 2.820 121.683 118.700 0.272 0.000 2.399 408 N HA 0.270 5.007 4.740 -0.006 0.000 0.280 408 N C -0.824 174.716 175.510 0.050 0.000 1.008 408 N CA -0.486 52.724 53.050 0.267 0.000 0.894 408 N CB 2.842 41.521 38.487 0.320 0.000 1.273 408 N HN 0.222 nan 8.380 nan 0.000 0.486 409 V N 0.763 120.591 119.914 -0.144 0.000 2.525 409 V HA 0.755 4.871 4.120 -0.006 0.000 0.299 409 V C -0.469 175.475 176.094 -0.249 0.000 1.034 409 V CA -0.905 61.292 62.300 -0.172 0.000 0.863 409 V CB 1.549 33.276 31.823 -0.160 0.000 0.999 409 V HN 0.775 nan 8.190 nan 0.000 0.423 410 A N 5.942 128.653 122.820 -0.182 0.000 2.343 410 A HA 0.940 5.257 4.320 -0.006 0.000 0.316 410 A C -1.057 176.404 177.584 -0.204 0.000 1.104 410 A CA -0.534 51.398 52.037 -0.176 0.000 0.768 410 A CB 1.151 20.079 19.000 -0.120 0.000 1.213 410 A HN 0.798 nan 8.150 nan 0.000 0.456 411 L N 2.132 123.241 121.223 -0.190 0.000 2.313 411 L HA 0.671 5.007 4.340 -0.006 0.000 0.283 411 L C 0.449 177.141 176.870 -0.297 0.000 1.013 411 L CA -0.628 54.018 54.840 -0.324 0.000 0.816 411 L CB 1.926 43.809 42.059 -0.292 0.000 1.236 411 L HN 0.790 nan 8.230 nan 0.000 0.419 412 A N 3.740 126.304 122.820 -0.428 0.000 2.289 412 A HA 0.771 5.088 4.320 -0.006 0.000 0.298 412 A C -1.029 176.323 177.584 -0.388 0.000 1.208 412 A CA -0.110 51.764 52.037 -0.272 0.000 0.845 412 A CB 0.145 19.004 19.000 -0.235 0.000 1.125 412 A HN 0.514 nan 8.150 nan 0.000 0.517 413 F N 0.935 120.886 119.950 0.001 0.000 2.561 413 F HA 0.690 5.215 4.527 -0.004 0.000 0.321 413 F C 0.784 176.689 175.800 0.174 0.000 1.065 413 F CA -0.217 57.815 58.000 0.053 0.000 0.934 413 F CB 2.768 41.787 39.000 0.032 0.000 1.215 413 F HN 0.721 nan 8.300 nan 0.000 0.471 414 G N 1.077 110.112 108.800 0.391 0.000 2.524 414 G HA2 0.489 4.445 3.960 -0.006 0.000 0.310 414 G HA3 0.489 4.445 3.960 -0.006 0.000 0.310 414 G C -1.568 173.428 174.900 0.160 0.000 1.279 414 G CA -1.040 44.245 45.100 0.309 0.000 0.974 414 G HN 0.644 nan 8.290 nan 0.000 0.484 415 R N 0.558 121.057 120.500 -0.002 0.000 2.570 415 R HA 0.141 4.477 4.340 -0.006 0.000 0.277 415 R C -0.605 175.739 176.300 0.074 0.000 1.039 415 R CA -0.300 55.812 56.100 0.021 0.000 1.065 415 R CB 0.294 30.558 30.300 -0.060 0.000 0.964 415 R HN 0.597 nan 8.270 nan 0.000 0.428 416 Y N 0.000 120.305 120.300 0.009 0.000 2.660 416 Y HA 0.000 4.546 4.550 -0.007 0.000 0.201 416 Y CA 0.000 58.111 58.100 0.019 0.000 1.940 416 Y CB 0.000 38.476 38.460 0.027 0.000 1.050 416 Y HN 0.000 nan 8.280 nan 0.000 0.758