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 3ls9_1_B DATA FIRST_RESID 1 DATA SEQUENCE MILIRGLTRV ITFDDQEREL EDADILIDGP KIVAVGKDLS DRSVSRTIDG DATA SEQUENCE RGMIALPGLI NSHQHLYEGA MRAIPQLERV TMASWLEGVL TRSAGWWRDG DATA SEQUENCE KFGPDVIREV ARAVLLESLL GGITTVADQH LFFPGATADS YIDATIEAAT DATA SEQUENCE DLGIRFHAAR SSMTLGKSEG GFCDDLFVEP VDRVVQHCLG LIDQYHEPEP DATA SEQUENCE FGMVRIALGP CGVPYDKPEL FEAFAQMAAD YDVRLHTHFY EPLDAGMSDH DATA SEQUENCE LYGMTPWRFL EKHGWASDRV WLAHAVVPPR EEIPEFADAG VAIAHLIAPD DATA SEQUENCE LRMGWGLAPI REYLDAGITV GFGTTGSASN DGGNLLGDLR LAALAHRPAD DATA SEQUENCE PNEPEKWLSA RELLRMATRG SAECLGRPDL GVLEEGRAAD IACWRLDGVD DATA SEQUENCE RVGVHDPAIG LIMTGLSDRA SLVVVNGQVL VENERPVLAD LERIVANTTA DATA SEQUENCE LIP 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.286 176.300 -0.024 0.000 1.140 1 M CA 0.000 55.286 55.300 -0.023 0.000 0.988 1 M CB 0.000 32.588 32.600 -0.020 0.000 1.302 2 I N 2.332 122.885 120.570 -0.028 0.000 2.404 2 I HA 0.518 4.688 4.170 -0.001 0.000 0.293 2 I C -1.247 174.855 176.117 -0.026 0.000 0.992 2 I CA -0.881 60.402 61.300 -0.028 0.000 1.149 2 I CB 1.865 39.845 38.000 -0.033 0.000 1.315 2 I HN 0.420 nan 8.210 nan 0.000 0.446 3 L N 8.241 129.451 121.223 -0.022 0.000 2.305 3 L HA 0.562 4.902 4.340 -0.001 0.000 0.284 3 L C -0.704 176.154 176.870 -0.019 0.000 1.013 3 L CA -0.106 54.722 54.840 -0.019 0.000 0.819 3 L CB 1.098 43.148 42.059 -0.015 0.000 1.227 3 L HN 0.395 nan 8.230 nan 0.000 0.417 4 I N 5.441 126.000 120.570 -0.019 0.000 2.297 4 I HA 0.406 4.575 4.170 -0.001 0.000 0.291 4 I C 0.118 176.226 176.117 -0.014 0.000 1.033 4 I CA -0.362 60.927 61.300 -0.019 0.000 1.253 4 I CB 0.716 38.703 38.000 -0.021 0.000 1.396 4 I HN 0.600 nan 8.210 nan 0.000 0.476 5 R N 5.041 125.534 120.500 -0.012 0.000 2.393 5 R HA 0.533 4.873 4.340 -0.001 0.000 0.310 5 R C 0.681 176.976 176.300 -0.008 0.000 0.968 5 R CA 0.054 56.148 56.100 -0.010 0.000 0.867 5 R CB 1.380 31.674 30.300 -0.009 0.000 1.124 5 R HN 0.866 nan 8.270 nan 0.000 0.450 6 G N 3.882 112.678 108.800 -0.006 0.000 2.160 6 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.244 6 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.244 6 G C -0.008 174.891 174.900 -0.002 0.000 1.022 6 G CA 0.021 45.118 45.100 -0.004 0.000 0.741 6 G HN 0.531 nan 8.290 nan 0.000 0.508 7 L N 0.261 121.483 121.223 -0.001 0.000 2.578 7 L HA 0.108 4.448 4.340 -0.001 0.000 0.279 7 L C 2.183 179.055 176.870 0.004 0.000 1.227 7 L CA 0.777 55.620 54.840 0.004 0.000 0.900 7 L CB 0.259 42.321 42.059 0.006 0.000 1.144 7 L HN 0.244 nan 8.230 nan 0.000 0.496 8 T N 1.074 115.633 114.554 0.009 0.000 2.821 8 T HA -0.103 4.247 4.350 -0.001 0.000 0.267 8 T C 0.740 175.442 174.700 0.004 0.000 1.046 8 T CA 1.234 63.338 62.100 0.006 0.000 1.139 8 T CB -0.119 68.754 68.868 0.009 0.000 0.871 8 T HN 0.384 nan 8.240 nan 0.000 0.454 9 R N 0.253 120.759 120.500 0.009 0.000 2.584 9 R HA 0.547 4.886 4.340 -0.001 0.000 0.276 9 R C -2.267 174.034 176.300 0.001 0.000 1.046 9 R CA -0.516 55.583 56.100 -0.001 0.000 0.906 9 R CB 1.532 31.831 30.300 -0.001 0.000 1.215 9 R HN -0.076 nan 8.270 nan 0.000 0.449 10 V N 5.725 125.627 119.914 -0.019 0.000 2.531 10 V HA 0.536 4.656 4.120 -0.001 0.000 0.301 10 V C -0.508 175.541 176.094 -0.075 0.000 1.034 10 V CA -0.782 61.502 62.300 -0.026 0.000 0.865 10 V CB 1.852 33.663 31.823 -0.021 0.000 0.995 10 V HN 0.585 nan 8.190 nan 0.000 0.424 11 I N 4.659 125.165 120.570 -0.107 0.000 2.354 11 I HA 0.263 4.433 4.170 -0.001 0.000 0.286 11 I C 1.440 177.382 176.117 -0.292 0.000 1.007 11 I CA -0.093 61.043 61.300 -0.273 0.000 1.167 11 I CB 1.376 39.156 38.000 -0.368 0.000 1.320 11 I HN 0.803 nan 8.210 nan 0.000 0.458 12 T N 1.842 116.235 114.554 -0.268 0.000 3.009 12 T HA 0.000 4.350 4.350 -0.001 0.000 0.258 12 T C 0.920 175.614 174.700 -0.009 0.000 1.063 12 T CA 0.337 62.374 62.100 -0.104 0.000 1.139 12 T CB -0.240 68.600 68.868 -0.046 0.000 0.890 12 T HN 0.377 nan 8.240 nan 0.000 0.471 13 F N 2.583 122.546 119.950 0.021 0.000 3.100 13 F HA -0.157 4.369 4.527 -0.000 0.000 0.283 13 F C 0.476 176.287 175.800 0.018 0.000 0.900 13 F CA 0.167 58.178 58.000 0.019 0.000 1.010 13 F CB -2.656 36.356 39.000 0.020 0.000 1.029 13 F HN 0.544 nan 8.300 nan 0.000 0.637 14 D N -0.491 119.976 120.400 0.112 0.000 2.380 14 D HA 0.079 4.719 4.640 -0.001 0.000 0.254 14 D C 1.173 177.520 176.300 0.078 0.000 1.288 14 D CA 0.129 54.179 54.000 0.083 0.000 1.008 14 D CB 0.459 41.286 40.800 0.045 0.000 1.099 14 D HN 0.001 nan 8.370 nan 0.000 0.537 15 D N -1.356 119.078 120.400 0.056 0.000 2.309 15 D HA -0.094 4.545 4.640 -0.001 0.000 0.212 15 D C 1.030 177.355 176.300 0.043 0.000 0.968 15 D CA 0.909 54.939 54.000 0.050 0.000 0.882 15 D CB 0.058 40.880 40.800 0.037 0.000 0.918 15 D HN 0.308 nan 8.370 nan 0.000 0.503 16 Q N 0.188 120.009 119.800 0.034 0.000 2.198 16 Q HA 0.054 4.394 4.340 -0.001 0.000 0.209 16 Q C -0.211 175.802 176.000 0.020 0.000 0.848 16 Q CA -0.013 55.804 55.803 0.024 0.000 0.974 16 Q CB 0.769 29.516 28.738 0.014 0.000 1.115 16 Q HN 0.180 nan 8.270 nan 0.000 0.494 17 E N 0.583 120.802 120.200 0.032 0.000 2.360 17 E HA -0.228 4.121 4.350 -0.001 0.000 0.238 17 E C -0.529 176.044 176.600 -0.046 0.000 1.186 17 E CA 0.554 56.960 56.400 0.010 0.000 0.719 17 E CB -1.387 28.334 29.700 0.036 0.000 1.236 17 E HN 0.431 nan 8.360 nan 0.000 0.386 18 R N 0.520 120.994 120.500 -0.043 0.000 2.590 18 R HA 0.228 4.567 4.340 -0.001 0.000 0.274 18 R C 0.736 176.979 176.300 -0.095 0.000 1.061 18 R CA 0.486 56.555 56.100 -0.052 0.000 1.081 18 R CB 0.690 30.972 30.300 -0.031 0.000 0.984 18 R HN 0.154 nan 8.270 nan 0.000 0.448 19 E N 1.883 122.035 120.200 -0.081 0.000 2.336 19 E HA 0.463 4.813 4.350 -0.001 0.000 0.267 19 E C -1.164 175.404 176.600 -0.054 0.000 0.906 19 E CA -0.934 55.412 56.400 -0.090 0.000 0.781 19 E CB 1.935 31.576 29.700 -0.097 0.000 1.261 19 E HN 0.120 nan 8.360 nan 0.000 0.436 20 L N 0.870 122.065 121.223 -0.046 0.000 2.409 20 L HA 0.423 4.762 4.340 -0.001 0.000 0.262 20 L C -0.595 176.262 176.870 -0.022 0.000 0.992 20 L CA -0.550 54.273 54.840 -0.029 0.000 0.817 20 L CB 2.073 44.119 42.059 -0.023 0.000 1.350 20 L HN 0.509 nan 8.230 nan 0.000 0.411 21 E N 1.001 121.192 120.200 -0.015 0.000 2.212 21 E HA 0.341 4.691 4.350 -0.001 0.000 0.268 21 E C -1.204 175.392 176.600 -0.007 0.000 0.902 21 E CA -0.509 55.885 56.400 -0.010 0.000 0.779 21 E CB 1.056 30.752 29.700 -0.008 0.000 1.172 21 E HN 0.619 nan 8.360 nan 0.000 0.409 22 D N 1.440 121.837 120.400 -0.005 0.000 2.812 22 D HA -0.203 4.436 4.640 -0.001 0.000 0.237 22 D C -1.081 175.216 176.300 -0.005 0.000 1.162 22 D CA 1.297 55.294 54.000 -0.004 0.000 0.740 22 D CB -1.154 39.644 40.800 -0.004 0.000 1.000 22 D HN 0.513 nan 8.370 nan 0.000 0.416 23 A N 0.445 123.262 122.820 -0.006 0.000 2.530 23 A HA 0.740 5.059 4.320 -0.001 0.000 0.288 23 A C -0.898 176.683 177.584 -0.006 0.000 1.172 23 A CA -0.774 51.259 52.037 -0.006 0.000 0.733 23 A CB 1.833 20.828 19.000 -0.009 0.000 1.320 23 A HN -0.001 nan 8.150 nan 0.000 0.419 24 D N -0.355 120.041 120.400 -0.007 0.000 2.419 24 D HA 0.671 5.311 4.640 -0.001 0.000 0.234 24 D C -0.989 175.307 176.300 -0.008 0.000 1.014 24 D CA 0.038 54.034 54.000 -0.008 0.000 0.919 24 D CB 1.679 42.474 40.800 -0.008 0.000 1.366 24 D HN 0.417 nan 8.370 nan 0.000 0.490 25 I N 1.115 121.679 120.570 -0.010 0.000 2.466 25 I HA 0.280 4.449 4.170 -0.001 0.000 0.289 25 I C -1.073 175.034 176.117 -0.016 0.000 1.026 25 I CA -0.993 60.300 61.300 -0.012 0.000 1.078 25 I CB 2.002 39.995 38.000 -0.012 0.000 1.249 25 I HN 0.010 nan 8.210 nan 0.000 0.429 26 L N 8.154 129.367 121.223 -0.016 0.000 2.313 26 L HA 0.660 4.999 4.340 -0.001 0.000 0.283 26 L C -0.966 175.888 176.870 -0.028 0.000 1.013 26 L CA -0.073 54.755 54.840 -0.020 0.000 0.816 26 L CB 1.257 43.307 42.059 -0.015 0.000 1.236 26 L HN 0.416 nan 8.230 nan 0.000 0.419 27 I N 3.927 124.475 120.570 -0.035 0.000 2.509 27 I HA 0.421 4.590 4.170 -0.001 0.000 0.293 27 I C -1.206 174.881 176.117 -0.051 0.000 1.020 27 I CA -0.531 60.738 61.300 -0.051 0.000 1.088 27 I CB 2.088 40.053 38.000 -0.057 0.000 1.267 27 I HN 0.514 nan 8.210 nan 0.000 0.430 28 D N 4.495 124.856 120.400 -0.065 0.000 2.473 28 D HA 0.530 5.170 4.640 -0.001 0.000 0.253 28 D C 0.412 176.665 176.300 -0.079 0.000 1.233 28 D CA 0.657 54.623 54.000 -0.056 0.000 0.908 28 D CB 1.378 42.155 40.800 -0.037 0.000 1.170 28 D HN 0.790 nan 8.370 nan 0.000 0.558 29 G N 5.236 113.994 108.800 -0.070 0.000 2.591 29 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.298 29 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.298 29 G C -1.462 173.356 174.900 -0.137 0.000 1.195 29 G CA 0.218 45.269 45.100 -0.080 0.000 0.989 29 G HN 0.531 nan 8.290 nan 0.000 0.551 30 P HA 0.194 nan 4.420 nan 0.000 0.255 30 P C 0.271 177.232 177.300 -0.565 0.000 1.248 30 P CA 1.229 64.121 63.100 -0.346 0.000 0.807 30 P CB 0.001 31.475 31.700 -0.376 0.000 1.150 31 K N -0.231 119.898 120.400 -0.453 0.000 2.328 31 K HA 0.518 4.838 4.320 -0.001 0.000 0.246 31 K C -0.470 176.018 176.600 -0.186 0.000 0.955 31 K CA -1.138 54.891 56.287 -0.431 0.000 0.817 31 K CB 1.729 34.008 32.500 -0.367 0.000 1.208 31 K HN -0.224 nan 8.250 nan 0.000 0.432 32 I N 3.082 123.581 120.570 -0.118 0.000 2.471 32 I HA -0.040 4.130 4.170 -0.001 0.000 0.286 32 I C 0.944 177.046 176.117 -0.026 0.000 1.079 32 I CA -0.441 60.828 61.300 -0.053 0.000 1.398 32 I CB 1.389 39.376 38.000 -0.021 0.000 1.403 32 I HN 0.532 nan 8.210 nan 0.000 0.530 33 V N 5.924 125.825 119.914 -0.022 0.000 2.575 33 V HA 0.224 4.343 4.120 -0.001 0.000 0.242 33 V C 0.723 176.817 176.094 -0.000 0.000 1.045 33 V CA 1.074 63.369 62.300 -0.008 0.000 1.065 33 V CB 0.021 31.837 31.823 -0.012 0.000 0.717 33 V HN 0.875 nan 8.190 nan 0.000 0.467 34 A N -0.911 121.907 122.820 -0.004 0.000 2.605 34 A HA 0.709 5.029 4.320 -0.001 0.000 0.294 34 A C -1.639 175.944 177.584 -0.003 0.000 1.062 34 A CA -0.339 51.698 52.037 -0.001 0.000 0.682 34 A CB 1.915 20.914 19.000 -0.001 0.000 1.278 34 A HN -0.004 nan 8.150 nan 0.000 0.410 35 V N 1.055 120.969 119.914 -0.000 0.000 2.524 35 V HA 0.863 4.983 4.120 -0.001 0.000 0.297 35 V C 0.445 176.537 176.094 -0.004 0.000 1.035 35 V CA 0.517 62.816 62.300 -0.003 0.000 0.867 35 V CB 1.154 32.976 31.823 -0.001 0.000 1.004 35 V HN 2.091 nan 8.190 nan 0.000 0.426 36 G N 3.911 112.707 108.800 -0.005 0.000 2.322 36 G HA2 0.333 4.293 3.960 -0.001 0.000 0.295 36 G HA3 0.333 4.293 3.960 -0.001 0.000 0.295 36 G C -1.594 173.302 174.900 -0.006 0.000 1.369 36 G CA -1.026 44.071 45.100 -0.005 0.000 0.821 36 G HN 0.485 nan 8.290 nan 0.000 0.536 37 K N 0.273 120.670 120.400 -0.005 0.000 2.270 37 K HA 0.370 4.690 4.320 -0.001 0.000 0.276 37 K C -0.066 176.531 176.600 -0.004 0.000 1.023 37 K CA 0.189 56.473 56.287 -0.005 0.000 0.955 37 K CB 0.757 33.254 32.500 -0.005 0.000 0.975 37 K HN 0.637 nan 8.250 nan 0.000 0.471 38 D N 1.844 122.241 120.400 -0.005 0.000 2.697 38 D HA -0.186 4.453 4.640 -0.001 0.000 0.235 38 D C -0.813 175.485 176.300 -0.004 0.000 1.167 38 D CA 0.481 54.478 54.000 -0.004 0.000 0.656 38 D CB -0.868 39.929 40.800 -0.004 0.000 1.025 38 D HN 0.363 nan 8.370 nan 0.000 0.419 39 L N 0.199 121.419 121.223 -0.005 0.000 2.452 39 L HA 0.167 4.506 4.340 -0.001 0.000 0.267 39 L C 1.298 178.165 176.870 -0.006 0.000 1.188 39 L CA -0.213 54.624 54.840 -0.005 0.000 0.821 39 L CB 0.939 42.994 42.059 -0.006 0.000 1.102 39 L HN 0.157 nan 8.230 nan 0.000 0.470 40 S N 0.608 116.305 115.700 -0.005 0.000 2.564 40 S HA 0.028 4.497 4.470 -0.001 0.000 0.278 40 S C 0.349 174.945 174.600 -0.006 0.000 1.333 40 S CA -0.659 57.538 58.200 -0.005 0.000 1.048 40 S CB 0.508 63.706 63.200 -0.004 0.000 0.900 40 S HN 0.703 nan 8.310 nan 0.000 0.505 41 D N 3.741 124.137 120.400 -0.006 0.000 2.427 41 D HA 0.043 4.683 4.640 -0.001 0.000 0.224 41 D C 1.557 177.853 176.300 -0.007 0.000 1.157 41 D CA -0.382 53.613 54.000 -0.008 0.000 0.828 41 D CB -0.042 40.753 40.800 -0.008 0.000 0.974 41 D HN 0.554 nan 8.370 nan 0.000 0.498 42 R N 0.962 121.459 120.500 -0.006 0.000 2.096 42 R HA -0.057 4.283 4.340 -0.001 0.000 0.235 42 R C 0.366 176.663 176.300 -0.006 0.000 1.127 42 R CA 1.194 57.291 56.100 -0.005 0.000 0.968 42 R CB -1.051 29.246 30.300 -0.004 0.000 0.861 42 R HN 0.032 nan 8.270 nan 0.000 0.440 43 S N 0.758 116.454 115.700 -0.007 0.000 2.574 43 S HA 0.273 4.743 4.470 -0.001 0.000 0.242 43 S C -0.264 174.330 174.600 -0.010 0.000 0.982 43 S CA -0.549 57.647 58.200 -0.007 0.000 0.977 43 S CB 0.829 64.025 63.200 -0.007 0.000 0.814 43 S HN 0.039 nan 8.310 nan 0.000 0.464 44 V N 3.004 122.912 119.914 -0.010 0.000 2.439 44 V HA 0.276 4.396 4.120 -0.001 0.000 0.282 44 V C 1.121 177.208 176.094 -0.012 0.000 1.039 44 V CA -0.162 62.130 62.300 -0.012 0.000 0.913 44 V CB 1.559 33.375 31.823 -0.012 0.000 0.983 44 V HN 0.524 nan 8.190 nan 0.000 0.460 45 S N 4.006 119.698 115.700 -0.013 0.000 2.502 45 S HA 0.254 4.724 4.470 -0.001 0.000 0.215 45 S C 0.670 175.261 174.600 -0.014 0.000 1.009 45 S CA -0.222 57.971 58.200 -0.013 0.000 0.908 45 S CB 0.281 63.473 63.200 -0.013 0.000 0.801 45 S HN 0.671 nan 8.310 nan 0.000 0.505 46 R N 0.708 121.199 120.500 -0.016 0.000 2.548 46 R HA 0.448 4.787 4.340 -0.001 0.000 0.280 46 R C -1.821 174.469 176.300 -0.017 0.000 1.061 46 R CA -0.139 55.951 56.100 -0.017 0.000 0.915 46 R CB 1.798 32.087 30.300 -0.019 0.000 1.210 46 R HN 0.133 nan 8.270 nan 0.000 0.442 47 T N 5.479 120.023 114.554 -0.016 0.000 2.779 47 T HA 0.479 4.828 4.350 -0.001 0.000 0.280 47 T C -0.030 174.659 174.700 -0.017 0.000 0.987 47 T CA -0.441 61.650 62.100 -0.016 0.000 0.966 47 T CB 0.883 69.743 68.868 -0.013 0.000 0.933 47 T HN 0.381 nan 8.240 nan 0.000 0.442 48 I N 2.504 123.063 120.570 -0.019 0.000 2.377 48 I HA 0.274 4.443 4.170 -0.001 0.000 0.293 48 I C -0.022 176.084 176.117 -0.018 0.000 0.987 48 I CA -0.909 60.378 61.300 -0.021 0.000 1.185 48 I CB 1.550 39.535 38.000 -0.026 0.000 1.341 48 I HN 0.493 nan 8.210 nan 0.000 0.455 49 D N 4.893 125.283 120.400 -0.016 0.000 2.338 49 D HA 0.151 4.791 4.640 -0.001 0.000 0.255 49 D C 0.922 177.214 176.300 -0.013 0.000 1.237 49 D CA 0.031 54.023 54.000 -0.013 0.000 0.883 49 D CB 1.436 42.229 40.800 -0.011 0.000 1.087 49 D HN 0.719 nan 8.370 nan 0.000 0.485 50 G N 3.756 112.549 108.800 -0.010 0.000 3.088 50 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.217 50 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.217 50 G C 0.691 175.591 174.900 -0.001 0.000 1.159 50 G CA -0.367 44.728 45.100 -0.007 0.000 0.760 50 G HN 0.379 nan 8.290 nan 0.000 0.550 51 R N 0.051 120.550 120.500 -0.002 0.000 2.538 51 R HA 0.362 4.701 4.340 -0.001 0.000 0.282 51 R C 1.372 177.675 176.300 0.005 0.000 1.009 51 R CA 1.027 57.127 56.100 0.001 0.000 1.063 51 R CB 0.379 30.678 30.300 -0.001 0.000 0.945 51 R HN 0.253 nan 8.270 nan 0.000 0.414 52 G N 2.103 110.908 108.800 0.009 0.000 2.157 52 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.248 52 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.248 52 G C 0.029 174.946 174.900 0.028 0.000 0.979 52 G CA -0.048 45.060 45.100 0.014 0.000 0.650 52 G HN 0.474 nan 8.290 nan 0.000 0.529 53 M N -0.039 119.579 119.600 0.031 0.000 2.598 53 M HA 0.666 5.145 4.480 -0.001 0.000 0.317 53 M C -0.021 176.319 176.300 0.066 0.000 1.179 53 M CA -0.928 54.405 55.300 0.055 0.000 0.936 53 M CB 2.572 35.194 32.600 0.036 0.000 1.713 53 M HN 0.168 nan 8.290 nan 0.000 0.460 54 I N 1.658 122.297 120.570 0.116 0.000 2.359 54 I HA 0.667 4.837 4.170 -0.001 0.000 0.294 54 I C -0.793 175.428 176.117 0.174 0.000 0.987 54 I CA -0.349 61.023 61.300 0.121 0.000 1.225 54 I CB 0.990 39.059 38.000 0.115 0.000 1.366 54 I HN 0.818 nan 8.210 nan 0.000 0.466 55 A N 7.863 130.752 122.820 0.116 0.000 2.318 55 A HA 0.786 5.106 4.320 -0.001 0.000 0.324 55 A C -1.299 176.365 177.584 0.134 0.000 1.170 55 A CA -0.473 51.634 52.037 0.116 0.000 0.810 55 A CB 1.086 20.116 19.000 0.051 0.000 1.198 55 A HN 0.629 nan 8.150 nan 0.000 0.484 56 L N 2.190 123.536 121.223 0.205 0.000 2.309 56 L HA 0.619 4.959 4.340 -0.001 0.000 0.261 56 L C -2.374 174.610 176.870 0.190 0.000 1.021 56 L CA -1.864 53.109 54.840 0.221 0.000 0.823 56 L CB 1.934 44.197 42.059 0.340 0.000 1.366 56 L HN 0.387 nan 8.230 nan 0.000 0.423 57 P HA 0.107 nan 4.420 nan 0.000 0.267 57 P C -0.247 177.146 177.300 0.154 0.000 1.200 57 P CA -0.247 62.949 63.100 0.159 0.000 0.772 57 P CB 0.284 32.094 31.700 0.184 0.000 0.855 58 G N 2.746 111.605 108.800 0.098 0.000 2.391 58 G HA2 0.121 4.081 3.960 -0.001 0.000 0.234 58 G HA3 0.121 4.081 3.960 -0.001 0.000 0.234 58 G C -0.093 174.869 174.900 0.103 0.000 1.284 58 G CA -0.474 44.679 45.100 0.088 0.000 0.873 58 G HN 0.419 nan 8.290 nan 0.000 0.549 59 L N 1.108 122.413 121.223 0.137 0.000 2.461 59 L HA 0.305 4.645 4.340 -0.001 0.000 0.272 59 L C 0.367 177.272 176.870 0.059 0.000 1.197 59 L CA 0.046 54.950 54.840 0.106 0.000 0.836 59 L CB 0.607 42.753 42.059 0.145 0.000 1.105 59 L HN 0.321 nan 8.230 nan 0.000 0.477 60 I N 2.406 122.992 120.570 0.026 0.000 2.439 60 I HA 0.186 4.356 4.170 -0.001 0.000 0.283 60 I C -0.302 175.821 176.117 0.009 0.000 1.023 60 I CA -0.459 60.835 61.300 -0.010 0.000 1.100 60 I CB 1.638 39.593 38.000 -0.075 0.000 1.238 60 I HN 0.511 nan 8.210 nan 0.000 0.445 61 N N 4.072 122.789 118.700 0.028 0.000 2.439 61 N HA 0.072 4.812 4.740 -0.001 0.000 0.243 61 N C 0.834 176.363 175.510 0.033 0.000 1.088 61 N CA -0.060 53.029 53.050 0.066 0.000 0.940 61 N CB 1.052 39.590 38.487 0.086 0.000 1.180 61 N HN 0.627 nan 8.380 nan 0.000 0.505 62 S N 2.010 117.741 115.700 0.053 0.000 2.631 62 S HA 0.022 4.492 4.470 -0.001 0.000 0.217 62 S C 0.185 174.951 174.600 0.277 0.000 0.958 62 S CA 0.106 58.331 58.200 0.042 0.000 0.920 62 S CB -0.278 62.885 63.200 -0.062 0.000 0.776 62 S HN 0.705 nan 8.310 nan 0.000 0.517 63 H N 0.302 119.421 119.070 0.081 0.000 3.287 63 H HA 0.464 5.020 4.556 -0.001 0.000 0.330 63 H C -1.120 174.183 175.328 -0.042 0.000 1.064 63 H CA -0.175 55.907 56.048 0.056 0.000 1.544 63 H CB 0.659 30.468 29.762 0.078 0.000 1.918 63 H HN 0.060 nan 8.280 nan 0.000 0.477 64 Q N 2.311 121.896 119.800 -0.359 0.000 2.399 64 Q HA 0.350 4.689 4.340 -0.001 0.000 0.276 64 Q C -0.878 174.811 176.000 -0.518 0.000 1.098 64 Q CA -0.846 54.786 55.803 -0.285 0.000 0.827 64 Q CB 1.993 30.721 28.738 -0.016 0.000 1.386 64 Q HN 0.734 nan 8.270 nan 0.000 0.443 65 H N 3.131 122.213 119.070 0.021 0.000 2.716 65 H HA 0.238 4.794 4.556 -0.001 0.000 0.260 65 H C 0.930 176.314 175.328 0.092 0.000 1.280 65 H CA -0.072 56.031 56.048 0.091 0.000 1.506 65 H CB 0.441 30.246 29.762 0.071 0.000 1.514 65 H HN 0.440 nan 8.280 nan 0.000 0.502 66 L N 1.184 122.581 121.223 0.289 0.000 2.079 66 L HA -0.251 4.088 4.340 -0.001 0.000 0.210 66 L C 2.387 179.385 176.870 0.213 0.000 1.081 66 L CA 1.546 56.524 54.840 0.231 0.000 0.752 66 L CB -0.524 41.689 42.059 0.256 0.000 0.896 66 L HN 0.573 nan 8.230 nan 0.000 0.433 67 Y N -0.000 120.413 120.300 0.189 0.000 2.403 67 Y HA -0.164 4.386 4.550 -0.001 0.000 0.291 67 Y C 1.951 177.976 175.900 0.208 0.000 1.143 67 Y CA 0.802 58.995 58.100 0.155 0.000 1.257 67 Y CB -0.859 37.657 38.460 0.094 0.000 0.984 67 Y HN 0.188 nan 8.280 nan 0.000 0.550 68 E N 0.890 120.793 120.200 -0.496 0.000 2.478 68 E HA -0.041 4.309 4.350 -0.001 0.000 0.198 68 E C 2.309 178.886 176.600 -0.037 0.000 1.046 68 E CA 0.393 56.584 56.400 -0.348 0.000 0.870 68 E CB -0.201 29.302 29.700 -0.329 0.000 0.818 68 E HN 0.755 nan 8.360 nan 0.000 0.527 69 G N 1.547 110.369 108.800 0.036 0.000 2.485 69 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.221 69 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.221 69 G C 1.516 176.472 174.900 0.093 0.000 1.115 69 G CA 0.746 45.889 45.100 0.072 0.000 0.751 69 G HN 0.344 nan 8.290 nan 0.000 0.567 70 A N -0.212 122.700 122.820 0.153 0.000 2.238 70 A HA 0.475 4.795 4.320 -0.001 0.000 0.208 70 A C 1.663 179.346 177.584 0.165 0.000 1.177 70 A CA 0.379 52.517 52.037 0.169 0.000 0.804 70 A CB -0.121 19.080 19.000 0.334 0.000 0.823 70 A HN 0.386 nan 8.150 nan 0.000 0.482 71 M N -0.022 119.659 119.600 0.137 0.000 2.911 71 M HA 0.238 4.717 4.480 -0.001 0.000 0.381 71 M C -0.303 176.036 176.300 0.065 0.000 1.287 71 M CA -0.097 55.275 55.300 0.120 0.000 0.858 71 M CB 0.589 33.197 32.600 0.014 0.000 1.385 71 M HN 0.118 nan 8.290 nan 0.000 0.504 72 R N 1.158 121.698 120.500 0.067 0.000 2.441 72 R HA 0.577 4.917 4.340 -0.001 0.000 0.284 72 R C 0.915 177.244 176.300 0.049 0.000 1.070 72 R CA 0.193 56.327 56.100 0.056 0.000 1.047 72 R CB 0.830 31.160 30.300 0.050 0.000 1.016 72 R HN 0.461 nan 8.270 nan 0.000 0.477 73 A N 2.831 125.679 122.820 0.047 0.000 2.745 73 A HA -0.193 4.127 4.320 -0.001 0.000 0.296 73 A C 0.162 177.766 177.584 0.033 0.000 1.500 73 A CA 0.446 52.505 52.037 0.037 0.000 0.766 73 A CB -1.911 17.107 19.000 0.030 0.000 1.030 73 A HN 0.661 nan 8.150 nan 0.000 0.489 74 I N -0.259 120.331 120.570 0.034 0.000 2.396 74 I HA 0.133 4.303 4.170 -0.001 0.000 0.289 74 I C -0.799 175.327 176.117 0.016 0.000 1.056 74 I CA -2.036 59.279 61.300 0.025 0.000 1.365 74 I CB 1.085 39.091 38.000 0.010 0.000 1.407 74 I HN 0.089 nan 8.210 nan 0.000 0.509 75 P HA -0.206 nan 4.420 nan 0.000 0.216 75 P C 1.077 178.380 177.300 0.006 0.000 1.153 75 P CA 1.307 64.413 63.100 0.011 0.000 0.858 75 P CB 0.168 31.873 31.700 0.010 0.000 0.789 76 Q N -1.333 118.466 119.800 -0.003 0.000 2.437 76 Q HA 0.014 4.354 4.340 -0.001 0.000 0.210 76 Q C 1.505 177.500 176.000 -0.009 0.000 0.972 76 Q CA 0.867 56.663 55.803 -0.011 0.000 0.903 76 Q CB -0.504 28.218 28.738 -0.027 0.000 0.967 76 Q HN 0.302 nan 8.270 nan 0.000 0.486 77 L N -0.625 120.598 121.223 -0.001 0.000 2.808 77 L HA 0.178 4.517 4.340 -0.001 0.000 0.246 77 L C 1.737 178.652 176.870 0.076 0.000 1.153 77 L CA -0.038 54.820 54.840 0.030 0.000 0.956 77 L CB 0.178 42.227 42.059 -0.017 0.000 1.270 77 L HN 0.228 nan 8.230 nan 0.000 0.528 78 E N 1.658 121.883 120.200 0.042 0.000 2.047 78 E HA -0.093 4.257 4.350 -0.001 0.000 0.191 78 E C 0.536 177.151 176.600 0.026 0.000 0.987 78 E CA 0.922 57.343 56.400 0.035 0.000 0.799 78 E CB 0.419 30.130 29.700 0.019 0.000 0.752 78 E HN 0.341 nan 8.360 nan 0.000 0.449 79 R N 0.581 121.094 120.500 0.021 0.000 2.415 79 R HA 0.264 4.603 4.340 -0.001 0.000 0.292 79 R C -1.173 175.138 176.300 0.018 0.000 1.295 79 R CA -0.372 55.733 56.100 0.007 0.000 1.137 79 R CB 1.699 31.999 30.300 -0.000 0.000 1.135 79 R HN -0.023 nan 8.270 nan 0.000 0.560 80 V N -1.625 118.306 119.914 0.027 0.000 2.971 80 V HA 0.594 4.713 4.120 -0.001 0.000 0.309 80 V C 0.393 176.504 176.094 0.030 0.000 1.130 80 V CA -1.060 61.270 62.300 0.052 0.000 0.964 80 V CB 1.806 33.697 31.823 0.114 0.000 1.029 80 V HN 0.593 nan 8.190 nan 0.000 0.427 81 T N 0.452 115.032 114.554 0.045 0.000 2.788 81 T HA 0.333 4.682 4.350 -0.001 0.000 0.287 81 T C 0.966 175.726 174.700 0.100 0.000 1.007 81 T CA 0.402 62.532 62.100 0.050 0.000 1.005 81 T CB 0.875 69.782 68.868 0.066 0.000 1.012 81 T HN 0.907 nan 8.240 nan 0.000 0.530 82 M N 1.604 121.282 119.600 0.130 0.000 2.108 82 M HA 0.021 4.500 4.480 -0.001 0.000 0.261 82 M C 2.353 178.789 176.300 0.228 0.000 1.066 82 M CA 2.173 57.589 55.300 0.194 0.000 1.107 82 M CB -1.544 31.250 32.600 0.323 0.000 1.356 82 M HN 0.893 nan 8.290 nan 0.000 0.406 83 A N -1.177 121.737 122.820 0.156 0.000 1.883 83 A HA -0.184 4.136 4.320 -0.001 0.000 0.217 83 A C 2.284 179.942 177.584 0.122 0.000 1.186 83 A CA 2.474 54.585 52.037 0.124 0.000 0.624 83 A CB -1.234 17.813 19.000 0.077 0.000 0.822 83 A HN 0.605 nan 8.150 nan 0.000 0.444 84 S N -2.129 113.640 115.700 0.115 0.000 2.383 84 S HA -0.155 4.315 4.470 -0.001 0.000 0.227 84 S C 1.500 176.160 174.600 0.100 0.000 1.026 84 S CA 1.157 59.406 58.200 0.083 0.000 0.981 84 S CB -0.459 62.781 63.200 0.067 0.000 0.818 84 S HN 0.782 nan 8.310 nan 0.000 0.472 85 W N 2.052 123.332 121.300 -0.034 0.000 2.354 85 W HA -0.099 4.560 4.660 -0.001 0.000 0.315 85 W C 1.899 178.383 176.519 -0.058 0.000 1.206 85 W CA 0.899 58.210 57.345 -0.057 0.000 1.290 85 W CB -0.534 28.882 29.460 -0.074 0.000 1.152 85 W HN 0.215 nan 8.180 nan 0.000 0.489 86 L N 1.334 122.730 121.223 0.289 0.000 2.046 86 L HA -0.191 4.148 4.340 -0.001 0.000 0.208 86 L C 2.310 179.131 176.870 -0.081 0.000 1.077 86 L CA 2.672 57.579 54.840 0.110 0.000 0.747 86 L CB -1.412 40.789 42.059 0.237 0.000 0.896 86 L HN 0.098 nan 8.230 nan 0.000 0.432 87 E N -0.609 119.577 120.200 -0.024 0.000 2.077 87 E HA -0.135 4.214 4.350 -0.001 0.000 0.193 87 E C 2.129 178.641 176.600 -0.147 0.000 0.989 87 E CA 1.511 57.881 56.400 -0.049 0.000 0.800 87 E CB -0.801 28.894 29.700 -0.009 0.000 0.746 87 E HN 0.491 nan 8.360 nan 0.000 0.452 88 G N -0.211 108.463 108.800 -0.210 0.000 2.418 88 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.217 88 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.217 88 G C 1.711 176.349 174.900 -0.438 0.000 1.158 88 G CA 0.996 45.921 45.100 -0.293 0.000 0.771 88 G HN 0.256 nan 8.290 nan 0.000 0.545 89 V N 0.892 120.449 119.914 -0.595 0.000 2.323 89 V HA -0.071 4.048 4.120 -0.001 0.000 0.244 89 V C 2.907 178.727 176.094 -0.456 0.000 1.041 89 V CA 1.333 63.232 62.300 -0.667 0.000 1.025 89 V CB -0.439 30.777 31.823 -1.011 0.000 0.656 89 V HN 0.326 nan 8.190 nan 0.000 0.451 90 L N -0.343 120.693 121.223 -0.312 0.000 2.046 90 L HA -0.179 4.161 4.340 -0.001 0.000 0.208 90 L C 2.633 179.455 176.870 -0.081 0.000 1.077 90 L CA 1.944 56.697 54.840 -0.145 0.000 0.747 90 L CB -1.050 41.002 42.059 -0.012 0.000 0.896 90 L HN 0.353 nan 8.230 nan 0.000 0.432 91 T N -0.710 113.755 114.554 -0.147 0.000 2.708 91 T HA -0.175 4.175 4.350 -0.001 0.000 0.266 91 T C 2.077 176.597 174.700 -0.299 0.000 1.037 91 T CA 1.268 63.282 62.100 -0.144 0.000 1.146 91 T CB -0.123 68.657 68.868 -0.146 0.000 0.865 91 T HN 0.266 nan 8.240 nan 0.000 0.435 92 R N 1.121 121.295 120.500 -0.544 0.000 2.066 92 R HA -0.074 4.266 4.340 -0.001 0.000 0.232 92 R C 3.038 178.648 176.300 -1.149 0.000 1.131 92 R CA 1.677 57.140 56.100 -1.062 0.000 0.955 92 R CB -0.412 29.070 30.300 -1.364 0.000 0.851 92 R HN 0.494 nan 8.270 nan 0.000 0.432 93 S N 0.877 116.099 115.700 -0.796 0.000 2.353 93 S HA -0.174 4.295 4.470 -0.001 0.000 0.222 93 S C 2.275 176.807 174.600 -0.113 0.000 1.035 93 S CA 1.157 58.938 58.200 -0.697 0.000 1.025 93 S CB -0.467 62.250 63.200 -0.805 0.000 0.902 93 S HN 0.380 nan 8.310 nan 0.000 0.440 94 A N 2.052 125.003 122.820 0.217 0.000 1.902 94 A HA 0.209 4.528 4.320 -0.001 0.000 0.217 94 A C 2.425 180.272 177.584 0.439 0.000 1.181 94 A CA 1.677 54.047 52.037 0.554 0.000 0.623 94 A CB -1.776 17.495 19.000 0.452 0.000 0.818 94 A HN 0.668 nan 8.150 nan 0.000 0.443 95 G N -1.415 107.460 108.800 0.125 0.000 2.404 95 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.215 95 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.215 95 G C 1.350 176.385 174.900 0.226 0.000 1.174 95 G CA 0.933 46.091 45.100 0.097 0.000 0.780 95 G HN 0.552 nan 8.290 nan 0.000 0.537 96 W N 0.006 121.330 121.300 0.041 0.000 2.338 96 W HA 0.018 4.678 4.660 -0.000 0.000 0.304 96 W C 2.218 178.881 176.519 0.240 0.000 1.212 96 W CA 0.078 57.438 57.345 0.025 0.000 1.264 96 W CB -1.343 27.961 29.460 -0.260 0.000 1.142 96 W HN 0.409 nan 8.180 nan 0.000 0.512 97 W N 1.249 122.838 121.300 0.481 0.000 2.355 97 W HA -0.197 4.463 4.660 -0.001 0.000 0.309 97 W C 2.673 179.405 176.519 0.356 0.000 1.206 97 W CA 2.452 60.128 57.345 0.551 0.000 1.284 97 W CB -0.752 29.179 29.460 0.786 0.000 1.145 97 W HN -0.209 nan 8.180 nan 0.000 0.502 98 R N 0.101 120.686 120.500 0.142 0.000 2.120 98 R HA -0.149 4.190 4.340 -0.001 0.000 0.234 98 R C 0.953 177.144 176.300 -0.181 0.000 1.123 98 R CA 1.793 57.742 56.100 -0.252 0.000 0.975 98 R CB -0.489 29.842 30.300 0.052 0.000 0.866 98 R HN 0.069 nan 8.270 nan 0.000 0.446 99 D N -1.027 119.374 120.400 0.001 0.000 2.319 99 D HA 0.111 4.750 4.640 -0.001 0.000 0.230 99 D C 0.761 177.066 176.300 0.009 0.000 1.094 99 D CA 0.852 54.863 54.000 0.018 0.000 0.856 99 D CB 0.613 41.467 40.800 0.089 0.000 0.915 99 D HN 0.469 nan 8.370 nan 0.000 0.517 100 G N 1.359 110.138 108.800 -0.034 0.000 2.148 100 G HA2 -0.367 3.593 3.960 -0.001 0.000 0.254 100 G HA3 -0.367 3.593 3.960 -0.001 0.000 0.254 100 G C 0.986 175.947 174.900 0.100 0.000 0.981 100 G CA 0.257 45.353 45.100 -0.007 0.000 0.670 100 G HN 0.392 nan 8.290 nan 0.000 0.528 101 K N -1.173 119.338 120.400 0.186 0.000 2.372 101 K HA 0.443 4.762 4.320 -0.001 0.000 0.200 101 K C 0.169 177.015 176.600 0.411 0.000 1.022 101 K CA -0.190 56.213 56.287 0.194 0.000 1.125 101 K CB 0.488 33.032 32.500 0.073 0.000 0.855 101 K HN 0.262 nan 8.250 nan 0.000 0.524 102 F N 0.636 120.763 119.950 0.295 0.000 2.538 102 F HA 0.312 4.838 4.527 -0.000 0.000 0.390 102 F C 0.332 176.512 175.800 0.633 0.000 1.448 102 F CA -1.035 57.225 58.000 0.433 0.000 1.115 102 F CB 0.420 39.734 39.000 0.524 0.000 1.268 102 F HN -0.102 nan 8.300 nan 0.000 0.515 103 G N 1.103 110.170 108.800 0.445 0.000 2.588 103 G HA2 0.328 4.287 3.960 -0.001 0.000 0.281 103 G HA3 0.328 4.287 3.960 -0.001 0.000 0.281 103 G C -1.701 173.262 174.900 0.105 0.000 1.236 103 G CA -1.134 44.163 45.100 0.329 0.000 0.969 103 G HN 0.045 nan 8.290 nan 0.000 0.504 104 P HA -0.068 nan 4.420 nan 0.000 0.219 104 P C 1.003 178.264 177.300 -0.065 0.000 1.146 104 P CA 1.036 63.966 63.100 -0.283 0.000 0.808 104 P CB 0.249 31.710 31.700 -0.399 0.000 0.779 105 D N -1.171 119.213 120.400 -0.028 0.000 2.144 105 D HA -0.096 4.544 4.640 -0.001 0.000 0.199 105 D C 1.962 178.273 176.300 0.018 0.000 0.984 105 D CA 0.914 54.913 54.000 -0.000 0.000 0.834 105 D CB -0.659 40.147 40.800 0.010 0.000 0.955 105 D HN 0.003 nan 8.370 nan 0.000 0.465 106 V N 0.661 120.598 119.914 0.038 0.000 2.323 106 V HA -0.177 3.943 4.120 -0.001 0.000 0.244 106 V C 2.290 178.393 176.094 0.015 0.000 1.041 106 V CA 0.823 63.149 62.300 0.042 0.000 1.025 106 V CB -0.212 31.666 31.823 0.091 0.000 0.656 106 V HN 0.090 nan 8.190 nan 0.000 0.451 107 I N 0.074 120.642 120.570 -0.002 0.000 2.286 107 I HA -0.195 3.975 4.170 -0.001 0.000 0.248 107 I C 2.543 178.687 176.117 0.046 0.000 1.115 107 I CA 1.451 62.768 61.300 0.029 0.000 1.392 107 I CB -0.749 37.340 38.000 0.149 0.000 1.065 107 I HN 0.211 nan 8.210 nan 0.000 0.418 108 R N 0.475 120.989 120.500 0.022 0.000 2.091 108 R HA -0.192 4.148 4.340 -0.001 0.000 0.238 108 R C 1.994 178.295 176.300 0.002 0.000 1.136 108 R CA 1.504 57.605 56.100 0.001 0.000 0.959 108 R CB -0.011 30.283 30.300 -0.011 0.000 0.856 108 R HN 0.281 nan 8.270 nan 0.000 0.437 109 E N -0.082 120.125 120.200 0.012 0.000 2.158 109 E HA -0.079 4.270 4.350 -0.001 0.000 0.191 109 E C 2.105 178.720 176.600 0.026 0.000 0.982 109 E CA 0.760 57.168 56.400 0.013 0.000 0.823 109 E CB -0.130 29.579 29.700 0.014 0.000 0.766 109 E HN 0.199 nan 8.360 nan 0.000 0.468 110 V N 1.869 121.810 119.914 0.045 0.000 2.295 110 V HA -0.240 3.880 4.120 -0.001 0.000 0.246 110 V C 2.463 178.594 176.094 0.062 0.000 1.049 110 V CA 1.859 64.199 62.300 0.067 0.000 1.024 110 V CB -0.914 30.974 31.823 0.107 0.000 0.648 110 V HN 0.242 nan 8.190 nan 0.000 0.447 111 A N -0.162 122.694 122.820 0.059 0.000 1.908 111 A HA -0.283 4.037 4.320 -0.001 0.000 0.218 111 A C 2.420 180.002 177.584 -0.002 0.000 1.181 111 A CA 2.174 54.234 52.037 0.039 0.000 0.627 111 A CB -0.610 18.398 19.000 0.014 0.000 0.818 111 A HN 0.476 nan 8.150 nan 0.000 0.445 112 R N -0.559 119.933 120.500 -0.014 0.000 2.081 112 R HA -0.107 4.233 4.340 -0.001 0.000 0.235 112 R C 2.330 178.626 176.300 -0.006 0.000 1.131 112 R CA 1.377 57.462 56.100 -0.026 0.000 0.960 112 R CB -0.363 29.923 30.300 -0.023 0.000 0.856 112 R HN 0.475 nan 8.270 nan 0.000 0.436 113 A N 0.083 122.910 122.820 0.011 0.000 1.873 113 A HA -0.090 4.230 4.320 -0.001 0.000 0.215 113 A C 2.218 179.818 177.584 0.027 0.000 1.186 113 A CA 1.488 53.536 52.037 0.018 0.000 0.616 113 A CB -0.478 18.537 19.000 0.025 0.000 0.823 113 A HN 0.214 nan 8.150 nan 0.000 0.442 114 V N 0.126 120.064 119.914 0.039 0.000 2.427 114 V HA -0.206 3.914 4.120 -0.001 0.000 0.248 114 V C 2.492 178.616 176.094 0.049 0.000 1.051 114 V CA 1.713 64.044 62.300 0.052 0.000 1.048 114 V CB -0.743 31.123 31.823 0.072 0.000 0.666 114 V HN 0.535 nan 8.190 nan 0.000 0.456 115 L N -0.814 120.428 121.223 0.032 0.000 2.156 115 L HA -0.122 4.218 4.340 -0.001 0.000 0.208 115 L C 2.388 179.267 176.870 0.015 0.000 1.095 115 L CA 0.909 55.763 54.840 0.023 0.000 0.770 115 L CB -0.469 41.574 42.059 -0.028 0.000 0.914 115 L HN 0.337 nan 8.230 nan 0.000 0.439 116 L N 0.249 121.475 121.223 0.007 0.000 2.056 116 L HA -0.196 4.144 4.340 -0.001 0.000 0.207 116 L C 2.482 179.360 176.870 0.013 0.000 1.078 116 L CA 1.758 56.600 54.840 0.003 0.000 0.749 116 L CB -0.638 41.420 42.059 -0.002 0.000 0.901 116 L HN 0.288 nan 8.230 nan 0.000 0.433 117 E N -0.872 119.342 120.200 0.024 0.000 2.097 117 E HA -0.239 4.110 4.350 -0.001 0.000 0.196 117 E C 1.989 178.614 176.600 0.043 0.000 1.000 117 E CA 1.632 58.052 56.400 0.034 0.000 0.804 117 E CB -0.057 29.668 29.700 0.041 0.000 0.740 117 E HN 0.607 nan 8.360 nan 0.000 0.454 118 S N 0.871 116.600 115.700 0.048 0.000 2.353 118 S HA -0.159 4.311 4.470 -0.001 0.000 0.222 118 S C 2.025 176.653 174.600 0.046 0.000 1.035 118 S CA 1.257 59.493 58.200 0.061 0.000 1.025 118 S CB -0.349 62.894 63.200 0.072 0.000 0.902 118 S HN 0.281 nan 8.310 nan 0.000 0.440 119 L N 1.109 122.347 121.223 0.024 0.000 2.013 119 L HA -0.150 4.190 4.340 -0.001 0.000 0.212 119 L C 2.223 179.079 176.870 -0.023 0.000 1.073 119 L CA 1.194 56.033 54.840 -0.002 0.000 0.753 119 L CB -0.634 41.417 42.059 -0.012 0.000 0.890 119 L HN 0.298 nan 8.230 nan 0.000 0.432 120 L N -0.607 120.610 121.223 -0.010 0.000 2.265 120 L HA -0.107 4.233 4.340 -0.001 0.000 0.215 120 L C 2.138 179.011 176.870 0.004 0.000 1.117 120 L CA 0.947 55.776 54.840 -0.019 0.000 0.782 120 L CB -0.746 41.313 42.059 -0.001 0.000 0.914 120 L HN 0.317 nan 8.230 nan 0.000 0.441 121 G N -1.421 107.412 108.800 0.054 0.000 3.233 121 G HA2 0.313 4.272 3.960 -0.001 0.000 0.227 121 G HA3 0.313 4.272 3.960 -0.001 0.000 0.227 121 G C 1.165 176.190 174.900 0.208 0.000 1.175 121 G CA 0.385 45.573 45.100 0.146 0.000 0.781 121 G HN 0.444 nan 8.290 nan 0.000 0.542 122 G N 0.004 108.819 108.800 0.026 0.000 2.136 122 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.242 122 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.242 122 G C 0.232 175.183 174.900 0.085 0.000 0.989 122 G CA 0.083 45.156 45.100 -0.046 0.000 0.682 122 G HN 0.482 nan 8.290 nan 0.000 0.522 123 I N 1.742 122.361 120.570 0.081 0.000 2.325 123 I HA 0.355 4.524 4.170 -0.001 0.000 0.291 123 I C 1.657 177.805 176.117 0.052 0.000 1.019 123 I CA 0.244 61.593 61.300 0.082 0.000 1.302 123 I CB 1.499 39.553 38.000 0.089 0.000 1.401 123 I HN 0.223 nan 8.210 nan 0.000 0.485 124 T N -0.399 114.185 114.554 0.049 0.000 2.990 124 T HA 0.156 4.506 4.350 -0.001 0.000 0.250 124 T C 0.646 175.380 174.700 0.057 0.000 1.041 124 T CA 0.093 62.216 62.100 0.040 0.000 1.010 124 T CB 0.221 69.105 68.868 0.027 0.000 1.003 124 T HN 0.490 nan 8.240 nan 0.000 0.499 125 T N 1.687 116.274 114.554 0.054 0.000 2.921 125 T HA 0.663 5.012 4.350 -0.001 0.000 0.297 125 T C -1.264 173.468 174.700 0.053 0.000 1.013 125 T CA -0.538 61.595 62.100 0.056 0.000 0.990 125 T CB 2.405 71.261 68.868 -0.018 0.000 1.023 125 T HN 0.041 nan 8.240 nan 0.000 0.447 126 V N 2.095 122.082 119.914 0.122 0.000 2.656 126 V HA 0.809 4.929 4.120 -0.001 0.000 0.307 126 V C -0.249 175.844 176.094 -0.001 0.000 1.051 126 V CA -0.977 61.392 62.300 0.116 0.000 0.893 126 V CB 1.837 33.812 31.823 0.252 0.000 0.999 126 V HN 1.084 nan 8.190 nan 0.000 0.426 127 A N 2.911 125.693 122.820 -0.063 0.000 2.256 127 A HA 0.660 4.980 4.320 -0.001 0.000 0.317 127 A C -0.624 176.924 177.584 -0.061 0.000 1.318 127 A CA -0.350 51.626 52.037 -0.102 0.000 0.894 127 A CB 0.468 19.462 19.000 -0.010 0.000 1.165 127 A HN 0.821 nan 8.150 nan 0.000 0.525 128 D N 1.369 121.689 120.400 -0.134 0.000 2.177 128 D HA 0.342 4.982 4.640 -0.001 0.000 0.247 128 D C -0.185 176.152 176.300 0.061 0.000 1.063 128 D CA 0.082 54.096 54.000 0.024 0.000 0.867 128 D CB 1.008 41.958 40.800 0.249 0.000 1.168 128 D HN 0.505 nan 8.370 nan 0.000 0.445 129 Q N 3.107 122.957 119.800 0.084 0.000 2.508 129 Q HA 0.151 4.491 4.340 -0.001 0.000 0.247 129 Q C -1.249 174.956 176.000 0.342 0.000 1.047 129 Q CA -0.856 55.071 55.803 0.206 0.000 0.783 129 Q CB 0.361 29.211 28.738 0.186 0.000 1.172 129 Q HN 0.590 nan 8.270 nan 0.000 0.515 130 H N 3.844 123.017 119.070 0.172 0.000 2.899 130 H HA 0.108 4.664 4.556 -0.000 0.000 0.303 130 H C -0.024 175.160 175.328 -0.238 0.000 1.042 130 H CA 0.431 56.493 56.048 0.024 0.000 1.479 130 H CB 0.575 30.309 29.762 -0.047 0.000 1.493 130 H HN 0.707 nan 8.280 nan 0.000 0.534 131 L N 5.546 126.290 121.223 -0.799 0.000 2.769 131 L HA 0.179 4.519 4.340 -0.001 0.000 0.240 131 L C -0.487 175.814 176.870 -0.948 0.000 1.163 131 L CA -0.117 54.337 54.840 -0.644 0.000 0.962 131 L CB 0.180 42.050 42.059 -0.315 0.000 1.258 131 L HN 0.492 nan 8.230 nan 0.000 0.513 132 F N 0.685 119.556 119.950 -1.798 0.000 2.434 132 F HA 0.437 4.963 4.527 -0.001 0.000 0.367 132 F C -0.892 174.235 175.800 -1.121 0.000 1.093 132 F CA -1.022 56.124 58.000 -1.424 0.000 1.085 132 F CB 0.703 38.789 39.000 -1.522 0.000 1.322 132 F HN -0.176 nan 8.300 nan 0.000 0.452 133 F N 6.848 126.366 119.950 -0.720 0.000 2.531 133 F HA 0.381 4.907 4.527 -0.001 0.000 0.333 133 F C -2.306 173.206 175.800 -0.479 0.000 1.292 133 F CA -2.994 54.715 58.000 -0.486 0.000 1.184 133 F CB 0.135 39.028 39.000 -0.177 0.000 1.426 133 F HN 0.217 nan 8.300 nan 0.000 0.559 134 P HA 0.325 nan 4.420 nan 0.000 0.271 134 P C 0.584 177.505 177.300 -0.630 0.000 1.218 134 P CA 0.557 63.133 63.100 -0.875 0.000 0.780 134 P CB 1.372 31.885 31.700 -1.978 0.000 0.901 135 G N 1.498 110.030 108.800 -0.446 0.000 2.741 135 G HA2 -0.045 3.915 3.960 -0.001 0.000 0.222 135 G HA3 -0.045 3.915 3.960 -0.001 0.000 0.222 135 G C 0.735 175.583 174.900 -0.086 0.000 1.364 135 G CA 0.048 45.060 45.100 -0.146 0.000 0.866 135 G HN 0.599 nan 8.290 nan 0.000 0.555 136 A N -0.962 121.844 122.820 -0.024 0.000 1.823 136 A HA 0.440 4.760 4.320 -0.001 0.000 0.214 136 A C 1.717 179.271 177.584 -0.049 0.000 1.225 136 A CA 2.506 54.525 52.037 -0.030 0.000 0.604 136 A CB -0.939 18.056 19.000 -0.009 0.000 0.878 136 A HN 1.747 nan 8.150 nan 0.000 0.450 137 T N 1.147 115.678 114.554 -0.038 0.000 2.907 137 T HA 0.501 4.851 4.350 -0.001 0.000 0.298 137 T C 0.141 174.776 174.700 -0.108 0.000 1.017 137 T CA 0.254 62.308 62.100 -0.077 0.000 1.118 137 T CB 1.114 69.954 68.868 -0.047 0.000 0.948 137 T HN 0.623 nan 8.240 nan 0.000 0.531 138 A N 3.293 125.964 122.820 -0.250 0.000 2.404 138 A HA 0.317 4.637 4.320 -0.001 0.000 0.273 138 A C 0.576 178.047 177.584 -0.188 0.000 1.144 138 A CA -0.569 51.263 52.037 -0.342 0.000 0.806 138 A CB 0.018 18.461 19.000 -0.928 0.000 1.080 138 A HN 0.815 nan 8.150 nan 0.000 0.509 139 D N 1.439 121.866 120.400 0.045 0.000 2.393 139 D HA 0.109 4.749 4.640 -0.001 0.000 0.246 139 D C 1.241 177.532 176.300 -0.015 0.000 1.275 139 D CA 0.664 54.661 54.000 -0.006 0.000 0.979 139 D CB 0.729 41.480 40.800 -0.083 0.000 1.101 139 D HN 0.509 nan 8.370 nan 0.000 0.505 140 S N 0.404 116.047 115.700 -0.095 0.000 2.967 140 S HA -0.009 4.460 4.470 -0.001 0.000 0.254 140 S C 1.243 175.817 174.600 -0.043 0.000 1.089 140 S CA -0.233 57.959 58.200 -0.014 0.000 1.183 140 S CB -0.766 62.427 63.200 -0.012 0.000 0.848 140 S HN 0.385 nan 8.310 nan 0.000 0.477 141 Y N 1.460 121.803 120.300 0.072 0.000 2.145 141 Y HA -0.084 4.466 4.550 -0.000 0.000 0.286 141 Y C 2.293 178.113 175.900 -0.134 0.000 1.145 141 Y CA 0.962 58.998 58.100 -0.107 0.000 1.148 141 Y CB -0.406 37.856 38.460 -0.330 0.000 0.981 141 Y HN 0.352 nan 8.280 nan 0.000 0.507 142 I N 0.274 120.964 120.570 0.201 0.000 2.226 142 I HA -0.259 3.910 4.170 -0.001 0.000 0.245 142 I C 1.587 177.727 176.117 0.038 0.000 1.100 142 I CA 1.563 62.956 61.300 0.155 0.000 1.374 142 I CB -1.456 36.690 38.000 0.243 0.000 1.057 142 I HN 0.248 nan 8.210 nan 0.000 0.413 143 D N 1.554 121.987 120.400 0.056 0.000 2.123 143 D HA -0.147 4.492 4.640 -0.001 0.000 0.196 143 D C 2.310 178.599 176.300 -0.018 0.000 0.992 143 D CA 1.580 55.588 54.000 0.013 0.000 0.833 143 D CB -0.136 40.758 40.800 0.156 0.000 0.954 143 D HN 0.352 nan 8.370 nan 0.000 0.455 144 A N 0.612 123.428 122.820 -0.007 0.000 1.877 144 A HA -0.209 4.111 4.320 -0.001 0.000 0.216 144 A C 2.375 179.929 177.584 -0.051 0.000 1.186 144 A CA 2.541 54.563 52.037 -0.025 0.000 0.620 144 A CB -1.381 17.606 19.000 -0.023 0.000 0.822 144 A HN 0.401 nan 8.150 nan 0.000 0.443 145 T N -1.463 113.070 114.554 -0.035 0.000 2.821 145 T HA -0.077 4.273 4.350 -0.001 0.000 0.267 145 T C 1.822 176.335 174.700 -0.311 0.000 1.046 145 T CA 1.491 63.538 62.100 -0.088 0.000 1.139 145 T CB -0.608 68.332 68.868 0.121 0.000 0.871 145 T HN 0.349 nan 8.240 nan 0.000 0.454 146 I N 1.425 121.884 120.570 -0.186 0.000 2.315 146 I HA -0.101 4.068 4.170 -0.001 0.000 0.248 146 I C 2.925 178.920 176.117 -0.202 0.000 1.117 146 I CA 1.713 62.869 61.300 -0.239 0.000 1.404 146 I CB -0.447 37.360 38.000 -0.322 0.000 1.071 146 I HN 0.409 nan 8.210 nan 0.000 0.419 147 E N 1.417 121.542 120.200 -0.125 0.000 2.077 147 E HA -0.256 4.094 4.350 -0.001 0.000 0.193 147 E C 2.291 178.830 176.600 -0.101 0.000 0.989 147 E CA 1.414 57.775 56.400 -0.065 0.000 0.800 147 E CB -0.021 29.664 29.700 -0.024 0.000 0.746 147 E HN 0.478 nan 8.360 nan 0.000 0.452 148 A N 1.215 123.949 122.820 -0.143 0.000 1.877 148 A HA -0.122 4.197 4.320 -0.001 0.000 0.216 148 A C 2.414 179.881 177.584 -0.194 0.000 1.186 148 A CA 1.934 53.884 52.037 -0.145 0.000 0.620 148 A CB -0.863 18.052 19.000 -0.142 0.000 0.822 148 A HN 0.428 nan 8.150 nan 0.000 0.443 149 A N -0.271 122.339 122.820 -0.349 0.000 1.902 149 A HA -0.117 4.203 4.320 -0.001 0.000 0.217 149 A C 2.470 179.962 177.584 -0.154 0.000 1.181 149 A CA 2.665 54.490 52.037 -0.353 0.000 0.623 149 A CB -1.455 17.104 19.000 -0.736 0.000 0.818 149 A HN 0.795 nan 8.150 nan 0.000 0.443 150 T N -2.383 112.102 114.554 -0.115 0.000 2.821 150 T HA -0.142 4.207 4.350 -0.001 0.000 0.267 150 T C 1.376 176.058 174.700 -0.030 0.000 1.046 150 T CA 1.525 63.604 62.100 -0.035 0.000 1.139 150 T CB -0.489 68.381 68.868 0.002 0.000 0.871 150 T HN 0.333 nan 8.240 nan 0.000 0.454 151 D N 1.487 121.860 120.400 -0.044 0.000 2.117 151 D HA 0.012 4.651 4.640 -0.001 0.000 0.197 151 D C 2.041 178.323 176.300 -0.031 0.000 0.987 151 D CA 0.860 54.842 54.000 -0.031 0.000 0.829 151 D CB -0.303 40.476 40.800 -0.034 0.000 0.961 151 D HN 0.392 nan 8.370 nan 0.000 0.460 152 L N -0.851 120.346 121.223 -0.044 0.000 2.240 152 L HA 0.108 4.447 4.340 -0.001 0.000 0.211 152 L C 1.613 178.469 176.870 -0.023 0.000 1.106 152 L CA 0.720 55.540 54.840 -0.034 0.000 0.793 152 L CB -0.113 41.920 42.059 -0.043 0.000 0.927 152 L HN 0.174 nan 8.230 nan 0.000 0.446 153 G N 0.795 109.584 108.800 -0.019 0.000 2.132 153 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.234 153 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.234 153 G C 0.123 175.029 174.900 0.010 0.000 0.989 153 G CA 0.051 45.149 45.100 -0.003 0.000 0.676 153 G HN 0.285 nan 8.290 nan 0.000 0.522 154 I N 0.524 121.100 120.570 0.011 0.000 2.472 154 I HA 0.513 4.682 4.170 -0.001 0.000 0.290 154 I C 1.025 177.202 176.117 0.100 0.000 1.016 154 I CA -1.148 60.179 61.300 0.045 0.000 1.348 154 I CB 0.605 38.630 38.000 0.040 0.000 1.417 154 I HN 0.209 nan 8.210 nan 0.000 0.521 155 R N 5.896 126.472 120.500 0.128 0.000 2.543 155 R HA 0.270 4.610 4.340 -0.001 0.000 0.277 155 R C -1.681 174.805 176.300 0.310 0.000 1.074 155 R CA -0.013 56.197 56.100 0.182 0.000 1.076 155 R CB 0.652 31.035 30.300 0.139 0.000 0.993 155 R HN 0.538 nan 8.270 nan 0.000 0.459 156 F N 3.422 123.454 119.950 0.136 0.000 2.588 156 F HA 0.334 4.860 4.527 -0.001 0.000 0.314 156 F C -1.258 174.679 175.800 0.227 0.000 1.134 156 F CA -0.562 57.525 58.000 0.145 0.000 0.961 156 F CB 1.523 40.562 39.000 0.065 0.000 1.239 156 F HN 0.555 nan 8.300 nan 0.000 0.448 157 H N 4.069 122.800 119.070 -0.565 0.000 2.489 157 H HA 0.744 5.300 4.556 -0.001 0.000 0.343 157 H C -0.911 173.973 175.328 -0.741 0.000 1.086 157 H CA -1.075 54.707 56.048 -0.443 0.000 1.198 157 H CB 1.948 31.583 29.762 -0.211 0.000 1.490 157 H HN 0.718 nan 8.280 nan 0.000 0.504 158 A N 2.786 125.382 122.820 -0.374 0.000 2.267 158 A HA 0.567 4.887 4.320 -0.001 0.000 0.315 158 A C -0.034 177.537 177.584 -0.021 0.000 1.297 158 A CA -0.628 51.271 52.037 -0.230 0.000 0.865 158 A CB 0.294 19.252 19.000 -0.070 0.000 1.165 158 A HN 0.754 nan 8.150 nan 0.000 0.513 159 A N 3.603 126.455 122.820 0.052 0.000 2.316 159 A HA 0.495 4.815 4.320 -0.001 0.000 0.311 159 A C 0.573 178.238 177.584 0.136 0.000 1.339 159 A CA -0.569 51.527 52.037 0.099 0.000 0.960 159 A CB -0.021 19.070 19.000 0.151 0.000 1.152 159 A HN 0.725 nan 8.150 nan 0.000 0.547 160 R N 2.459 123.022 120.500 0.105 0.000 2.370 160 R HA 0.234 4.574 4.340 -0.001 0.000 0.309 160 R C 0.009 176.477 176.300 0.280 0.000 1.059 160 R CA 0.489 56.723 56.100 0.223 0.000 0.981 160 R CB 0.539 30.927 30.300 0.146 0.000 0.972 160 R HN 0.705 nan 8.270 nan 0.000 0.437 161 S N 1.539 117.477 115.700 0.396 0.000 2.774 161 S HA 0.749 5.218 4.470 -0.001 0.000 0.300 161 S C -0.993 173.847 174.600 0.401 0.000 1.124 161 S CA -0.113 58.282 58.200 0.324 0.000 0.993 161 S CB 0.957 64.280 63.200 0.206 0.000 1.166 161 S HN 0.784 nan 8.310 nan 0.000 0.550 162 S N 0.341 116.192 115.700 0.251 0.000 2.627 162 S HA 0.506 4.976 4.470 -0.001 0.000 0.268 162 S C -1.481 173.200 174.600 0.135 0.000 1.130 162 S CA -0.892 57.443 58.200 0.225 0.000 0.819 162 S CB 0.752 64.055 63.200 0.171 0.000 1.100 162 S HN 0.591 nan 8.310 nan 0.000 0.465 163 M N 2.421 122.106 119.600 0.141 0.000 2.126 163 M HA 0.240 4.720 4.480 -0.001 0.000 0.217 163 M C 0.646 177.033 176.300 0.146 0.000 0.873 163 M CA -0.387 55.010 55.300 0.162 0.000 0.707 163 M CB 1.347 34.055 32.600 0.180 0.000 1.515 163 M HN 0.993 nan 8.290 nan 0.000 0.369 164 T N -1.175 113.440 114.554 0.103 0.000 3.118 164 T HA 0.108 4.458 4.350 -0.001 0.000 0.260 164 T C 0.391 175.132 174.700 0.069 0.000 1.139 164 T CA 0.165 62.301 62.100 0.060 0.000 1.085 164 T CB 0.148 69.016 68.868 0.000 0.000 0.934 164 T HN 0.377 nan 8.240 nan 0.000 0.518 165 L N 2.767 124.053 121.223 0.105 0.000 2.262 165 L HA 0.693 5.033 4.340 -0.001 0.000 0.288 165 L C 0.516 177.421 176.870 0.059 0.000 1.035 165 L CA -0.713 54.175 54.840 0.081 0.000 0.820 165 L CB 0.467 42.589 42.059 0.104 0.000 1.204 165 L HN 0.226 nan 8.230 nan 0.000 0.424 166 G N 3.683 112.495 108.800 0.020 0.000 2.483 166 G HA2 0.175 4.134 3.960 -0.001 0.000 0.248 166 G HA3 0.175 4.134 3.960 -0.001 0.000 0.248 166 G C 0.612 175.486 174.900 -0.043 0.000 1.248 166 G CA -0.144 44.957 45.100 0.002 0.000 0.838 166 G HN 0.897 nan 8.290 nan 0.000 0.566 167 K N -0.043 120.335 120.400 -0.038 0.000 2.288 167 K HA -0.094 4.226 4.320 -0.001 0.000 0.201 167 K C 2.215 178.750 176.600 -0.109 0.000 1.048 167 K CA 1.588 57.819 56.287 -0.093 0.000 0.956 167 K CB -0.082 32.396 32.500 -0.037 0.000 0.746 167 K HN 0.428 nan 8.250 nan 0.000 0.461 168 S N 2.432 118.090 115.700 -0.071 0.000 2.335 168 S HA -0.187 4.283 4.470 -0.001 0.000 0.217 168 S C 1.457 176.011 174.600 -0.076 0.000 1.032 168 S CA 0.783 58.944 58.200 -0.066 0.000 0.985 168 S CB -0.684 62.488 63.200 -0.045 0.000 0.896 168 S HN 0.610 nan 8.310 nan 0.000 0.445 169 E N 2.266 122.426 120.200 -0.067 0.000 3.079 169 E HA 0.359 4.709 4.350 -0.001 0.000 0.267 169 E C 0.585 177.125 176.600 -0.101 0.000 1.509 169 E CA -0.029 56.331 56.400 -0.066 0.000 1.630 169 E CB -1.582 28.093 29.700 -0.041 0.000 1.373 169 E HN 0.631 nan 8.360 nan 0.000 0.439 170 G N 0.237 108.953 108.800 -0.139 0.000 2.330 170 G HA2 -0.074 3.886 3.960 -0.001 0.000 0.239 170 G HA3 -0.074 3.886 3.960 -0.001 0.000 0.239 170 G C 0.192 174.910 174.900 -0.304 0.000 0.818 170 G CA -0.087 44.886 45.100 -0.212 0.000 1.189 170 G HN 0.820 nan 8.290 nan 0.000 0.337 171 G N -0.400 108.133 108.800 -0.445 0.000 2.772 171 G HA2 0.775 4.735 3.960 -0.001 0.000 0.284 171 G HA3 0.775 4.735 3.960 -0.001 0.000 0.284 171 G C -0.522 173.842 174.900 -0.893 0.000 1.217 171 G CA -0.330 44.453 45.100 -0.528 0.000 0.831 171 G HN 0.658 nan 8.290 nan 0.000 0.523 172 F N 0.157 120.080 119.950 -0.044 0.000 2.790 172 F HA 0.386 4.912 4.527 -0.001 0.000 0.347 172 F C -0.111 175.747 175.800 0.096 0.000 1.252 172 F CA -1.047 56.932 58.000 -0.036 0.000 1.109 172 F CB 0.749 39.632 39.000 -0.194 0.000 1.205 172 F HN 0.424 nan 8.300 nan 0.000 0.510 173 C N -0.404 119.027 119.300 0.217 0.000 2.547 173 C HA 0.482 4.942 4.460 -0.001 0.000 0.313 173 C C 0.007 175.109 174.990 0.188 0.000 1.191 173 C CA -1.249 57.927 59.018 0.264 0.000 1.474 173 C CB 1.207 29.114 27.740 0.280 0.000 2.081 173 C HN 0.372 nan 8.230 nan 0.000 0.476 174 D N 1.221 121.766 120.400 0.243 0.000 2.488 174 D HA 0.068 4.707 4.640 -0.001 0.000 0.238 174 D C 0.750 177.050 176.300 -0.001 0.000 1.138 174 D CA 0.560 54.626 54.000 0.109 0.000 0.873 174 D CB 0.678 41.544 40.800 0.111 0.000 1.183 174 D HN 0.547 nan 8.370 nan 0.000 0.458 175 D N 2.508 122.865 120.400 -0.071 0.000 2.309 175 D HA -0.093 4.546 4.640 -0.001 0.000 0.212 175 D C 1.512 177.706 176.300 -0.178 0.000 0.968 175 D CA 0.516 54.466 54.000 -0.084 0.000 0.882 175 D CB 0.041 40.801 40.800 -0.067 0.000 0.918 175 D HN 0.345 nan 8.370 nan 0.000 0.503 176 L N -0.944 120.047 121.223 -0.387 0.000 2.456 176 L HA -0.008 4.331 4.340 -0.001 0.000 0.224 176 L C 1.172 177.672 176.870 -0.615 0.000 1.148 176 L CA 1.125 55.630 54.840 -0.558 0.000 0.825 176 L CB -0.490 41.108 42.059 -0.769 0.000 0.937 176 L HN 0.088 nan 8.230 nan 0.000 0.450 177 F N -2.466 117.438 119.950 -0.077 0.000 2.682 177 F HA 0.225 4.752 4.527 -0.001 0.000 0.308 177 F C 0.725 176.506 175.800 -0.033 0.000 1.093 177 F CA -0.488 57.458 58.000 -0.090 0.000 1.244 177 F CB 0.236 39.187 39.000 -0.082 0.000 1.052 177 F HN -0.369 nan 8.300 nan 0.000 0.573 178 V N 2.335 122.295 119.914 0.076 0.000 2.389 178 V HA 0.110 4.230 4.120 -0.001 0.000 0.264 178 V C -0.063 176.044 176.094 0.021 0.000 1.049 178 V CA -0.531 61.805 62.300 0.060 0.000 0.932 178 V CB 0.255 32.099 31.823 0.035 0.000 1.011 178 V HN 0.198 nan 8.190 nan 0.000 0.475 179 E N 6.459 126.673 120.200 0.024 0.000 2.214 179 E HA 0.427 4.777 4.350 -0.001 0.000 0.274 179 E C -2.550 174.043 176.600 -0.013 0.000 0.977 179 E CA -2.070 54.325 56.400 -0.008 0.000 0.827 179 E CB 1.122 30.806 29.700 -0.027 0.000 1.130 179 E HN 0.437 nan 8.360 nan 0.000 0.394 180 P HA -0.088 nan 4.420 nan 0.000 0.266 180 P C 0.756 178.036 177.300 -0.033 0.000 1.195 180 P CA 0.004 63.091 63.100 -0.022 0.000 0.768 180 P CB 0.614 32.303 31.700 -0.019 0.000 0.838 181 V N 2.065 121.952 119.914 -0.044 0.000 2.282 181 V HA -0.274 3.846 4.120 -0.001 0.000 0.249 181 V C 1.783 177.843 176.094 -0.057 0.000 1.057 181 V CA 2.107 64.360 62.300 -0.078 0.000 1.032 181 V CB -0.852 30.917 31.823 -0.090 0.000 0.645 181 V HN 0.615 nan 8.190 nan 0.000 0.447 182 D N -0.755 119.626 120.400 -0.031 0.000 2.178 182 D HA -0.161 4.478 4.640 -0.001 0.000 0.201 182 D C 2.321 178.621 176.300 -0.000 0.000 0.980 182 D CA 1.132 55.126 54.000 -0.011 0.000 0.842 182 D CB -0.177 40.621 40.800 -0.004 0.000 0.948 182 D HN 0.387 nan 8.370 nan 0.000 0.472 183 R N 0.663 121.158 120.500 -0.009 0.000 2.075 183 R HA -0.100 4.239 4.340 -0.001 0.000 0.232 183 R C 2.167 178.474 176.300 0.011 0.000 1.126 183 R CA 0.903 56.998 56.100 -0.008 0.000 0.963 183 R CB -0.122 30.159 30.300 -0.031 0.000 0.858 183 R HN -0.017 nan 8.270 nan 0.000 0.435 184 V N 0.344 120.263 119.914 0.007 0.000 2.295 184 V HA -0.214 3.906 4.120 -0.001 0.000 0.246 184 V C 2.401 178.578 176.094 0.139 0.000 1.049 184 V CA 1.578 63.914 62.300 0.061 0.000 1.024 184 V CB -0.261 31.580 31.823 0.031 0.000 0.648 184 V HN 0.186 nan 8.190 nan 0.000 0.447 185 V N -0.406 119.564 119.914 0.094 0.000 2.287 185 V HA -0.353 3.767 4.120 -0.001 0.000 0.248 185 V C 2.482 178.629 176.094 0.088 0.000 1.053 185 V CA 2.225 64.607 62.300 0.138 0.000 1.027 185 V CB -0.714 31.154 31.823 0.074 0.000 0.646 185 V HN 0.582 nan 8.190 nan 0.000 0.447 186 Q N -1.121 118.717 119.800 0.063 0.000 2.084 186 Q HA -0.235 4.104 4.340 -0.001 0.000 0.202 186 Q C 2.321 178.360 176.000 0.065 0.000 0.978 186 Q CA 1.910 57.741 55.803 0.047 0.000 0.844 186 Q CB -0.333 28.428 28.738 0.038 0.000 0.898 186 Q HN 0.756 nan 8.270 nan 0.000 0.426 187 H N -0.494 118.564 119.070 -0.020 0.000 2.353 187 H HA -0.148 4.407 4.556 -0.001 0.000 0.300 187 H C 1.872 177.190 175.328 -0.017 0.000 1.090 187 H CA 1.382 57.411 56.048 -0.032 0.000 1.327 187 H CB 0.172 29.887 29.762 -0.080 0.000 1.383 187 H HN 0.355 nan 8.280 nan 0.000 0.508 188 C N 0.713 119.978 119.300 -0.058 0.000 2.429 188 C HA -0.127 4.333 4.460 -0.001 0.000 0.277 188 C C 3.059 177.931 174.990 -0.198 0.000 1.262 188 C CA 0.606 59.539 59.018 -0.143 0.000 1.733 188 C CB -1.071 26.644 27.740 -0.042 0.000 2.010 188 C HN 0.505 nan 8.230 nan 0.000 0.483 189 L N 0.829 121.956 121.223 -0.160 0.000 2.083 189 L HA -0.059 4.280 4.340 -0.001 0.000 0.209 189 L C 2.808 179.578 176.870 -0.166 0.000 1.083 189 L CA 1.741 56.449 54.840 -0.221 0.000 0.752 189 L CB -1.079 40.895 42.059 -0.141 0.000 0.899 189 L HN 0.511 nan 8.230 nan 0.000 0.433 190 G N -0.075 108.655 108.800 -0.115 0.000 2.402 190 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.216 190 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.216 190 G C 1.635 176.472 174.900 -0.105 0.000 1.162 190 G CA 0.432 45.478 45.100 -0.089 0.000 0.777 190 G HN 0.209 nan 8.290 nan 0.000 0.539 191 L N 0.028 121.162 121.223 -0.150 0.000 2.046 191 L HA -0.020 4.319 4.340 -0.001 0.000 0.208 191 L C 2.856 179.742 176.870 0.025 0.000 1.077 191 L CA 0.686 55.513 54.840 -0.023 0.000 0.747 191 L CB -0.352 41.633 42.059 -0.122 0.000 0.896 191 L HN 0.195 nan 8.230 nan 0.000 0.432 192 I N -0.188 120.325 120.570 -0.095 0.000 2.163 192 I HA -0.337 3.833 4.170 -0.001 0.000 0.243 192 I C 2.337 178.447 176.117 -0.012 0.000 1.085 192 I CA 1.451 62.694 61.300 -0.095 0.000 1.347 192 I CB -0.381 37.434 38.000 -0.309 0.000 1.044 192 I HN 0.311 nan 8.210 nan 0.000 0.408 193 D N 0.499 120.863 120.400 -0.060 0.000 2.116 193 D HA -0.279 4.361 4.640 -0.001 0.000 0.193 193 D C 2.142 178.403 176.300 -0.065 0.000 0.998 193 D CA 1.655 55.632 54.000 -0.037 0.000 0.836 193 D CB -0.060 40.709 40.800 -0.051 0.000 0.951 193 D HN 0.368 nan 8.370 nan 0.000 0.449 194 Q N -2.061 117.653 119.800 -0.144 0.000 2.137 194 Q HA -0.110 4.229 4.340 -0.001 0.000 0.198 194 Q C 1.168 176.939 176.000 -0.382 0.000 0.960 194 Q CA 1.013 56.605 55.803 -0.351 0.000 0.847 194 Q CB 0.119 28.483 28.738 -0.624 0.000 0.915 194 Q HN 0.363 nan 8.270 nan 0.000 0.448 195 Y N -2.127 118.189 120.300 0.027 0.000 2.452 195 Y HA 0.194 4.744 4.550 -0.001 0.000 0.262 195 Y C 0.078 176.010 175.900 0.053 0.000 1.089 195 Y CA -0.445 57.679 58.100 0.040 0.000 1.262 195 Y CB 0.218 38.707 38.460 0.048 0.000 1.236 195 Y HN 0.108 nan 8.280 nan 0.000 0.512 196 H N 2.445 121.576 119.070 0.101 0.000 2.929 196 H HA 0.168 4.724 4.556 -0.001 0.000 0.317 196 H C -0.506 174.834 175.328 0.020 0.000 1.031 196 H CA 0.327 56.394 56.048 0.031 0.000 1.466 196 H CB 0.417 30.177 29.762 -0.004 0.000 1.482 196 H HN 0.204 nan 8.280 nan 0.000 0.561 197 E N 7.682 127.632 120.200 -0.418 0.000 2.267 197 E HA 0.124 4.473 4.350 -0.001 0.000 0.241 197 E C -1.929 174.407 176.600 -0.441 0.000 0.950 197 E CA -1.763 54.460 56.400 -0.294 0.000 0.776 197 E CB 1.250 30.871 29.700 -0.132 0.000 1.207 197 E HN 0.658 nan 8.360 nan 0.000 0.436 198 P HA -0.125 nan 4.420 nan 0.000 0.236 198 P C 0.131 177.348 177.300 -0.140 0.000 1.177 198 P CA 0.587 63.535 63.100 -0.253 0.000 0.773 198 P CB 0.230 31.915 31.700 -0.026 0.000 0.878 199 E N 1.410 121.534 120.200 -0.126 0.000 2.392 199 E HA 0.177 4.526 4.350 -0.001 0.000 0.259 199 E C -2.454 174.042 176.600 -0.173 0.000 1.108 199 E CA -2.393 53.936 56.400 -0.118 0.000 0.916 199 E CB -0.826 28.826 29.700 -0.080 0.000 0.989 199 E HN 0.045 nan 8.360 nan 0.000 0.432 200 P HA -0.067 nan 4.420 nan 0.000 0.265 200 P C -0.536 176.460 177.300 -0.507 0.000 1.187 200 P CA 0.150 62.920 63.100 -0.550 0.000 0.766 200 P CB -0.102 31.073 31.700 -0.874 0.000 0.820 201 F N -1.084 118.861 119.950 -0.008 0.000 2.840 201 F HA -0.174 4.353 4.527 -0.001 0.000 0.310 201 F C 1.253 177.048 175.800 -0.008 0.000 0.688 201 F CA 0.722 58.721 58.000 -0.002 0.000 1.286 201 F CB -2.735 36.264 39.000 -0.001 0.000 1.612 201 F HN 0.416 nan 8.300 nan 0.000 0.335 202 G N 0.706 109.545 108.800 0.064 0.000 2.321 202 G HA2 0.263 4.223 3.960 -0.001 0.000 0.237 202 G HA3 0.263 4.223 3.960 -0.001 0.000 0.237 202 G C 0.932 175.857 174.900 0.042 0.000 1.282 202 G CA -0.144 44.961 45.100 0.008 0.000 0.886 202 G HN 0.176 nan 8.290 nan 0.000 0.528 203 M N 1.224 120.851 119.600 0.046 0.000 2.492 203 M HA 0.143 4.622 4.480 -0.001 0.000 0.255 203 M C 0.267 176.625 176.300 0.096 0.000 1.139 203 M CA 0.653 56.002 55.300 0.082 0.000 1.096 203 M CB 0.423 33.071 32.600 0.080 0.000 1.360 203 M HN 0.197 nan 8.290 nan 0.000 0.480 204 V N 1.105 121.042 119.914 0.039 0.000 2.638 204 V HA 0.482 4.602 4.120 -0.001 0.000 0.306 204 V C -0.356 175.670 176.094 -0.114 0.000 1.052 204 V CA -0.867 61.459 62.300 0.043 0.000 0.885 204 V CB 2.799 34.695 31.823 0.122 0.000 0.999 204 V HN 0.220 nan 8.190 nan 0.000 0.424 205 R N 3.982 124.332 120.500 -0.249 0.000 2.744 205 R HA 0.664 5.004 4.340 -0.001 0.000 0.279 205 R C -1.602 174.646 176.300 -0.086 0.000 0.977 205 R CA -0.934 55.015 56.100 -0.252 0.000 0.906 205 R CB 2.628 32.510 30.300 -0.697 0.000 1.197 205 R HN 0.444 nan 8.270 nan 0.000 0.463 206 I N 1.565 122.240 120.570 0.177 0.000 2.392 206 I HA 0.516 4.686 4.170 -0.001 0.000 0.295 206 I C 0.284 176.365 176.117 -0.060 0.000 0.985 206 I CA -0.515 60.779 61.300 -0.010 0.000 1.221 206 I CB 1.356 39.318 38.000 -0.064 0.000 1.366 206 I HN 0.704 nan 8.210 nan 0.000 0.467 207 A N 6.846 129.654 122.820 -0.020 0.000 2.387 207 A HA 0.899 5.219 4.320 -0.001 0.000 0.303 207 A C -0.961 176.543 177.584 -0.133 0.000 1.145 207 A CA -0.649 51.389 52.037 0.003 0.000 0.801 207 A CB 1.563 20.711 19.000 0.246 0.000 1.342 207 A HN 0.624 nan 8.150 nan 0.000 0.440 208 L N 1.043 122.115 121.223 -0.252 0.000 2.298 208 L HA 0.633 4.973 4.340 -0.001 0.000 0.284 208 L C 0.468 177.209 176.870 -0.216 0.000 1.013 208 L CA -0.335 54.157 54.840 -0.581 0.000 0.824 208 L CB 1.791 43.126 42.059 -1.206 0.000 1.221 208 L HN 0.844 nan 8.230 nan 0.000 0.418 209 G N 3.373 112.160 108.800 -0.022 0.000 4.332 209 G HA2 0.450 4.410 3.960 -0.001 0.000 0.321 209 G HA3 0.450 4.410 3.960 -0.001 0.000 0.321 209 G C -2.800 172.209 174.900 0.181 0.000 1.439 209 G CA -1.041 44.138 45.100 0.131 0.000 0.900 209 G HN 0.261 nan 8.290 nan 0.000 0.515 210 P HA 0.022 nan 4.420 nan 0.000 0.266 210 P C 1.273 178.610 177.300 0.062 0.000 1.193 210 P CA -0.400 62.713 63.100 0.023 0.000 0.770 210 P CB 1.271 32.684 31.700 -0.477 0.000 0.836 211 C N 2.296 121.659 119.300 0.105 0.000 2.429 211 C HA 0.201 4.661 4.460 -0.001 0.000 0.277 211 C C 1.199 176.364 174.990 0.290 0.000 1.262 211 C CA 1.911 61.016 59.018 0.146 0.000 1.733 211 C CB -1.722 25.973 27.740 -0.076 0.000 2.010 211 C HN 0.769 nan 8.230 nan 0.000 0.483 212 G N -2.321 106.705 108.800 0.377 0.000 2.320 212 G HA2 0.292 4.252 3.960 -0.001 0.000 0.297 212 G HA3 0.292 4.252 3.960 -0.001 0.000 0.297 212 G C 0.082 175.219 174.900 0.394 0.000 1.344 212 G CA 0.158 45.530 45.100 0.453 0.000 0.851 212 G HN 0.109 nan 8.290 nan 0.000 0.567 213 V N 0.683 120.630 119.914 0.055 0.000 2.392 213 V HA -0.050 4.070 4.120 -0.001 0.000 0.249 213 V C -0.234 175.711 176.094 -0.247 0.000 1.059 213 V CA 2.572 64.637 62.300 -0.392 0.000 1.051 213 V CB -0.909 30.493 31.823 -0.701 0.000 0.658 213 V HN 0.566 nan 8.190 nan 0.000 0.455 214 P HA -0.017 nan 4.420 nan 0.000 0.242 214 P C 0.436 177.519 177.300 -0.362 0.000 1.197 214 P CA 1.142 63.975 63.100 -0.445 0.000 0.765 214 P CB -0.089 31.001 31.700 -1.018 0.000 0.936 215 Y N -2.289 118.098 120.300 0.145 0.000 2.432 215 Y HA 0.294 4.844 4.550 -0.000 0.000 0.252 215 Y C 0.534 176.517 175.900 0.139 0.000 1.097 215 Y CA -0.381 57.813 58.100 0.156 0.000 1.250 215 Y CB 0.631 39.160 38.460 0.117 0.000 1.245 215 Y HN -0.154 nan 8.280 nan 0.000 0.522 216 D N 0.438 121.012 120.400 0.289 0.000 2.732 216 D HA 0.248 4.888 4.640 -0.001 0.000 0.229 216 D C -0.876 175.586 176.300 0.270 0.000 1.152 216 D CA -0.661 53.467 54.000 0.213 0.000 0.854 216 D CB 2.271 43.113 40.800 0.071 0.000 1.590 216 D HN -0.029 nan 8.370 nan 0.000 0.468 217 K N 1.463 121.956 120.400 0.155 0.000 2.355 217 K HA 0.147 4.467 4.320 -0.001 0.000 0.270 217 K C -1.608 175.103 176.600 0.184 0.000 1.003 217 K CA -1.218 55.162 56.287 0.155 0.000 0.957 217 K CB 0.843 33.375 32.500 0.054 0.000 0.939 217 K HN 0.041 nan 8.250 nan 0.000 0.482 218 P HA -0.168 nan 4.420 nan 0.000 0.218 218 P C 0.358 177.516 177.300 -0.236 0.000 1.148 218 P CA 1.243 64.119 63.100 -0.373 0.000 0.822 218 P CB 0.273 31.431 31.700 -0.905 0.000 0.784 219 E N -0.832 119.299 120.200 -0.116 0.000 2.153 219 E HA -0.160 4.190 4.350 -0.001 0.000 0.194 219 E C 1.815 178.353 176.600 -0.103 0.000 0.988 219 E CA 0.730 57.083 56.400 -0.078 0.000 0.811 219 E CB -1.049 28.620 29.700 -0.053 0.000 0.746 219 E HN 0.150 nan 8.360 nan 0.000 0.466 220 L N -0.561 120.562 121.223 -0.166 0.000 2.056 220 L HA -0.061 4.278 4.340 -0.001 0.000 0.207 220 L C 1.715 178.338 176.870 -0.412 0.000 1.078 220 L CA 1.507 56.099 54.840 -0.414 0.000 0.749 220 L CB -0.361 41.382 42.059 -0.527 0.000 0.901 220 L HN 0.062 nan 8.230 nan 0.000 0.433 221 F N 0.458 120.291 119.950 -0.195 0.000 2.126 221 F HA -0.230 4.296 4.527 -0.001 0.000 0.299 221 F C 2.481 178.443 175.800 0.270 0.000 1.096 221 F CA 1.950 59.936 58.000 -0.023 0.000 1.255 221 F CB -0.537 38.239 39.000 -0.374 0.000 0.997 221 F HN 0.187 nan 8.300 nan 0.000 0.479 222 E N -0.011 120.338 120.200 0.250 0.000 2.072 222 E HA -0.176 4.174 4.350 -0.001 0.000 0.191 222 E C 2.438 179.154 176.600 0.193 0.000 0.985 222 E CA 0.932 57.466 56.400 0.223 0.000 0.801 222 E CB -0.384 29.392 29.700 0.125 0.000 0.750 222 E HN 0.388 nan 8.360 nan 0.000 0.452 223 A N 1.172 124.055 122.820 0.104 0.000 1.902 223 A HA -0.175 4.145 4.320 -0.001 0.000 0.217 223 A C 1.887 179.634 177.584 0.273 0.000 1.181 223 A CA 1.147 53.247 52.037 0.105 0.000 0.623 223 A CB -0.580 18.408 19.000 -0.020 0.000 0.818 223 A HN 0.147 nan 8.150 nan 0.000 0.443 224 F N 0.072 120.123 119.950 0.168 0.000 2.186 224 F HA -0.019 4.507 4.527 -0.001 0.000 0.299 224 F C 2.830 178.697 175.800 0.112 0.000 1.090 224 F CA 0.162 58.261 58.000 0.164 0.000 1.307 224 F CB -1.209 37.961 39.000 0.283 0.000 1.019 224 F HN 0.292 nan 8.300 nan 0.000 0.489 225 A N -0.421 122.624 122.820 0.375 0.000 1.908 225 A HA -0.274 4.046 4.320 -0.001 0.000 0.218 225 A C 2.162 179.806 177.584 0.100 0.000 1.181 225 A CA 1.924 54.040 52.037 0.133 0.000 0.627 225 A CB -0.864 18.255 19.000 0.198 0.000 0.818 225 A HN 0.342 nan 8.150 nan 0.000 0.445 226 Q N -0.366 119.520 119.800 0.144 0.000 2.050 226 Q HA -0.121 4.219 4.340 -0.001 0.000 0.202 226 Q C 2.027 178.104 176.000 0.129 0.000 0.980 226 Q CA 2.288 58.159 55.803 0.113 0.000 0.840 226 Q CB -0.439 28.368 28.738 0.114 0.000 0.898 226 Q HN 0.679 nan 8.270 nan 0.000 0.424 227 M N -0.689 119.020 119.600 0.183 0.000 2.108 227 M HA -0.185 4.295 4.480 -0.001 0.000 0.261 227 M C 2.115 178.523 176.300 0.179 0.000 1.066 227 M CA 1.563 57.003 55.300 0.234 0.000 1.107 227 M CB -0.426 32.279 32.600 0.176 0.000 1.356 227 M HN 0.350 nan 8.290 nan 0.000 0.406 228 A N 0.407 123.265 122.820 0.063 0.000 1.883 228 A HA -0.136 4.184 4.320 -0.001 0.000 0.217 228 A C 2.350 179.941 177.584 0.011 0.000 1.186 228 A CA 2.150 54.181 52.037 -0.009 0.000 0.624 228 A CB -1.048 17.890 19.000 -0.103 0.000 0.822 228 A HN 0.518 nan 8.150 nan 0.000 0.444 229 A N -0.337 122.488 122.820 0.008 0.000 1.930 229 A HA -0.147 4.172 4.320 -0.001 0.000 0.217 229 A C 1.728 179.298 177.584 -0.023 0.000 1.175 229 A CA 1.901 53.933 52.037 -0.007 0.000 0.627 229 A CB -0.495 18.502 19.000 -0.006 0.000 0.815 229 A HN 0.465 nan 8.150 nan 0.000 0.443 230 D N -1.924 118.464 120.400 -0.021 0.000 2.194 230 D HA -0.021 4.618 4.640 -0.001 0.000 0.204 230 D C 0.898 176.998 176.300 -0.332 0.000 0.964 230 D CA 1.081 54.987 54.000 -0.158 0.000 0.846 230 D CB -0.191 40.508 40.800 -0.168 0.000 0.962 230 D HN 0.631 nan 8.370 nan 0.000 0.490 231 Y N 0.114 120.388 120.300 -0.044 0.000 2.467 231 Y HA 0.105 4.655 4.550 -0.001 0.000 0.250 231 Y C 0.118 175.980 175.900 -0.062 0.000 1.155 231 Y CA -0.421 57.641 58.100 -0.064 0.000 1.249 231 Y CB 0.514 38.907 38.460 -0.112 0.000 1.146 231 Y HN -0.231 nan 8.280 nan 0.000 0.524 232 D N 1.001 121.430 120.400 0.049 0.000 2.697 232 D HA -0.149 4.491 4.640 -0.001 0.000 0.238 232 D C -0.515 175.808 176.300 0.038 0.000 1.152 232 D CA 0.852 54.872 54.000 0.033 0.000 0.666 232 D CB -0.925 39.895 40.800 0.034 0.000 1.037 232 D HN 0.190 nan 8.370 nan 0.000 0.423 233 V N -2.390 117.521 119.914 -0.005 0.000 3.177 233 V HA 0.784 4.904 4.120 -0.001 0.000 0.319 233 V C 0.767 176.847 176.094 -0.023 0.000 1.125 233 V CA -0.917 61.354 62.300 -0.048 0.000 1.029 233 V CB 1.881 33.590 31.823 -0.190 0.000 1.119 233 V HN 0.121 nan 8.190 nan 0.000 0.452 234 R N 0.277 120.793 120.500 0.027 0.000 2.758 234 R HA 0.796 5.135 4.340 -0.001 0.000 0.265 234 R C -1.264 175.043 176.300 0.011 0.000 1.016 234 R CA -0.853 55.295 56.100 0.080 0.000 1.040 234 R CB 1.745 32.194 30.300 0.248 0.000 1.152 234 R HN 0.664 nan 8.270 nan 0.000 0.503 235 L N 1.010 122.178 121.223 -0.091 0.000 2.346 235 L HA 0.465 4.804 4.340 -0.001 0.000 0.276 235 L C -0.762 175.976 176.870 -0.220 0.000 1.006 235 L CA -0.817 53.791 54.840 -0.386 0.000 0.817 235 L CB 1.604 42.961 42.059 -1.170 0.000 1.272 235 L HN 0.546 nan 8.230 nan 0.000 0.421 236 H N 0.992 119.915 119.070 -0.245 0.000 2.865 236 H HA 0.686 5.242 4.556 -0.000 0.000 0.362 236 H C -1.278 174.036 175.328 -0.023 0.000 1.114 236 H CA -0.263 55.467 56.048 -0.532 0.000 1.208 236 H CB 2.280 31.255 29.762 -1.311 0.000 1.727 236 H HN 0.576 nan 8.280 nan 0.000 0.534 237 T N 2.518 116.801 114.554 -0.451 0.000 2.769 237 T HA 0.305 4.654 4.350 -0.001 0.000 0.306 237 T C -1.187 173.263 174.700 -0.416 0.000 1.400 237 T CA -0.703 61.187 62.100 -0.351 0.000 1.007 237 T CB 0.570 69.458 68.868 0.034 0.000 1.392 237 T HN 0.736 nan 8.240 nan 0.000 0.500 238 H N 0.502 119.532 119.070 -0.066 0.000 2.615 238 H HA 0.594 5.149 4.556 -0.000 0.000 0.363 238 H C -0.921 174.516 175.328 0.182 0.000 1.148 238 H CA 0.269 56.358 56.048 0.069 0.000 1.401 238 H CB 0.532 30.373 29.762 0.131 0.000 1.461 238 H HN 0.357 nan 8.280 nan 0.000 0.588 239 F N 1.746 121.767 119.950 0.118 0.000 2.605 239 F HA 0.184 4.711 4.527 0.000 0.000 0.320 239 F C -1.201 174.643 175.800 0.073 0.000 1.159 239 F CA -1.091 56.919 58.000 0.017 0.000 0.999 239 F CB 0.467 39.477 39.000 0.017 0.000 1.258 239 F HN 0.718 nan 8.300 nan 0.000 0.464 240 Y N 2.683 122.715 120.300 -0.447 0.000 3.078 240 Y HA -0.269 4.280 4.550 -0.001 0.000 0.202 240 Y C 0.478 176.159 175.900 -0.366 0.000 1.322 240 Y CA 0.825 58.644 58.100 -0.469 0.000 1.118 240 Y CB -0.791 37.294 38.460 -0.625 0.000 1.343 240 Y HN 0.550 nan 8.280 nan 0.000 0.499 241 E N 0.952 120.953 120.200 -0.332 0.000 2.373 241 E HA 0.154 4.504 4.350 -0.001 0.000 0.263 241 E C -2.116 174.097 176.600 -0.644 0.000 1.073 241 E CA -1.975 53.970 56.400 -0.758 0.000 0.894 241 E CB 0.399 29.530 29.700 -0.948 0.000 1.008 241 E HN 0.020 nan 8.360 nan 0.000 0.420 242 P HA -0.099 nan 4.420 nan 0.000 0.266 242 P C 0.105 177.179 177.300 -0.378 0.000 1.195 242 P CA 0.341 63.139 63.100 -0.504 0.000 0.768 242 P CB 0.397 31.784 31.700 -0.522 0.000 0.838 243 L N 0.423 121.503 121.223 -0.238 0.000 4.610 243 L HA -0.230 4.110 4.340 -0.001 0.000 0.397 243 L C 1.304 178.029 176.870 -0.242 0.000 0.806 243 L CA 1.470 56.185 54.840 -0.208 0.000 2.169 243 L CB -2.200 39.739 42.059 -0.200 0.000 1.402 243 L HN 0.364 nan 8.230 nan 0.000 0.603 244 D N 0.100 120.342 120.400 -0.264 0.000 2.123 244 D HA -0.029 4.610 4.640 -0.001 0.000 0.196 244 D C 2.073 178.246 176.300 -0.213 0.000 0.992 244 D CA 1.761 55.592 54.000 -0.282 0.000 0.833 244 D CB 0.149 40.766 40.800 -0.305 0.000 0.954 244 D HN 0.568 nan 8.370 nan 0.000 0.455 245 A N 0.538 123.290 122.820 -0.113 0.000 1.933 245 A HA -0.031 4.288 4.320 -0.001 0.000 0.218 245 A C 2.367 179.933 177.584 -0.029 0.000 1.175 245 A CA 2.086 54.112 52.037 -0.017 0.000 0.628 245 A CB -1.034 18.021 19.000 0.092 0.000 0.814 245 A HN 0.312 nan 8.150 nan 0.000 0.444 246 G N -0.774 107.989 108.800 -0.062 0.000 2.402 246 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.216 246 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.216 246 G C 1.646 176.520 174.900 -0.043 0.000 1.162 246 G CA 1.113 46.185 45.100 -0.047 0.000 0.777 246 G HN 0.459 nan 8.290 nan 0.000 0.539 247 M N 0.599 120.116 119.600 -0.139 0.000 2.117 247 M HA -0.040 4.439 4.480 -0.001 0.000 0.262 247 M C 2.826 179.108 176.300 -0.029 0.000 1.065 247 M CA 1.385 56.593 55.300 -0.154 0.000 1.114 247 M CB -0.202 32.070 32.600 -0.547 0.000 1.361 247 M HN 0.330 nan 8.290 nan 0.000 0.408 248 S N 0.179 115.840 115.700 -0.065 0.000 2.368 248 S HA -0.182 4.288 4.470 -0.001 0.000 0.224 248 S C 1.460 176.109 174.600 0.081 0.000 1.029 248 S CA 1.838 60.047 58.200 0.016 0.000 0.988 248 S CB -0.259 62.919 63.200 -0.037 0.000 0.838 248 S HN 0.468 nan 8.310 nan 0.000 0.462 249 D N -0.322 120.117 120.400 0.065 0.000 2.144 249 D HA -0.168 4.472 4.640 -0.001 0.000 0.199 249 D C 1.836 178.178 176.300 0.069 0.000 0.984 249 D CA 1.610 55.657 54.000 0.079 0.000 0.834 249 D CB -0.263 40.579 40.800 0.070 0.000 0.955 249 D HN 0.628 nan 8.370 nan 0.000 0.465 250 H N -0.585 118.471 119.070 -0.024 0.000 2.333 250 H HA 0.097 4.653 4.556 -0.000 0.000 0.302 250 H C 2.019 177.277 175.328 -0.116 0.000 1.075 250 H CA 1.420 57.443 56.048 -0.041 0.000 1.348 250 H CB -0.186 29.572 29.762 -0.006 0.000 1.393 250 H HN 0.152 nan 8.280 nan 0.000 0.509 251 L N -1.140 119.948 121.223 -0.225 0.000 2.109 251 L HA -0.115 4.225 4.340 -0.001 0.000 0.207 251 L C 1.113 177.538 176.870 -0.742 0.000 1.086 251 L CA 1.074 55.535 54.840 -0.631 0.000 0.760 251 L CB 0.009 41.516 42.059 -0.920 0.000 0.910 251 L HN 0.379 nan 8.230 nan 0.000 0.437 252 Y N -1.721 118.587 120.300 0.013 0.000 2.540 252 Y HA 0.339 4.889 4.550 -0.000 0.000 0.257 252 Y C 1.554 177.484 175.900 0.049 0.000 1.090 252 Y CA -0.084 58.054 58.100 0.064 0.000 1.242 252 Y CB 0.249 38.814 38.460 0.175 0.000 1.325 252 Y HN 0.073 nan 8.280 nan 0.000 0.544 253 G N 1.767 110.642 108.800 0.126 0.000 2.198 253 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.260 253 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.260 253 G C 0.108 175.079 174.900 0.118 0.000 1.025 253 G CA 0.894 46.050 45.100 0.093 0.000 0.769 253 G HN 0.422 nan 8.290 nan 0.000 0.507 254 M N -1.955 117.742 119.600 0.162 0.000 2.622 254 M HA 0.733 5.213 4.480 -0.001 0.000 0.276 254 M C 0.230 176.626 176.300 0.161 0.000 1.265 254 M CA -0.413 54.978 55.300 0.151 0.000 0.850 254 M CB 1.192 33.878 32.600 0.144 0.000 1.720 254 M HN 0.582 nan 8.290 nan 0.000 0.465 255 T N -1.987 112.671 114.554 0.174 0.000 2.860 255 T HA 0.362 4.711 4.350 -0.001 0.000 0.299 255 T C -2.200 172.597 174.700 0.161 0.000 1.045 255 T CA -0.967 61.254 62.100 0.202 0.000 1.071 255 T CB 0.286 69.353 68.868 0.333 0.000 0.985 255 T HN 0.552 nan 8.240 nan 0.000 0.537 256 P HA -0.080 nan 4.420 nan 0.000 0.216 256 P C 1.373 178.785 177.300 0.186 0.000 1.150 256 P CA 0.999 64.020 63.100 -0.131 0.000 0.837 256 P CB -0.117 31.192 31.700 -0.652 0.000 0.786 257 W N 0.708 122.137 121.300 0.216 0.000 2.381 257 W HA -0.162 4.497 4.660 -0.001 0.000 0.301 257 W C 2.121 178.812 176.519 0.285 0.000 1.205 257 W CA 0.947 58.564 57.345 0.453 0.000 1.285 257 W CB -0.481 29.430 29.460 0.751 0.000 1.133 257 W HN -0.198 nan 8.180 nan 0.000 0.521 258 R N 0.223 120.809 120.500 0.144 0.000 2.091 258 R HA -0.221 4.118 4.340 -0.001 0.000 0.238 258 R C 2.345 178.561 176.300 -0.140 0.000 1.136 258 R CA 2.220 58.285 56.100 -0.059 0.000 0.959 258 R CB -1.574 28.777 30.300 0.085 0.000 0.856 258 R HN 0.288 nan 8.270 nan 0.000 0.437 259 F N 0.237 120.077 119.950 -0.184 0.000 2.095 259 F HA -0.181 4.346 4.527 -0.000 0.000 0.298 259 F C 1.611 177.220 175.800 -0.318 0.000 1.104 259 F CA 1.584 59.436 58.000 -0.247 0.000 1.232 259 F CB -0.171 38.670 39.000 -0.265 0.000 0.987 259 F HN -0.013 nan 8.300 nan 0.000 0.475 260 L N 0.163 121.326 121.223 -0.101 0.000 2.046 260 L HA -0.223 4.117 4.340 -0.001 0.000 0.208 260 L C 2.556 179.223 176.870 -0.338 0.000 1.077 260 L CA 1.890 56.590 54.840 -0.233 0.000 0.747 260 L CB -0.901 41.097 42.059 -0.101 0.000 0.896 260 L HN 0.288 nan 8.230 nan 0.000 0.432 261 E N 0.818 120.674 120.200 -0.573 0.000 2.051 261 E HA -0.302 4.048 4.350 -0.001 0.000 0.192 261 E C 2.220 178.593 176.600 -0.379 0.000 0.991 261 E CA 1.478 57.564 56.400 -0.523 0.000 0.799 261 E CB 0.048 29.372 29.700 -0.627 0.000 0.748 261 E HN 0.303 nan 8.360 nan 0.000 0.449 262 K N -0.428 119.677 120.400 -0.492 0.000 2.209 262 K HA -0.146 4.174 4.320 -0.001 0.000 0.204 262 K C 0.999 177.155 176.600 -0.740 0.000 1.048 262 K CA 1.242 57.154 56.287 -0.626 0.000 0.940 262 K CB 0.020 32.030 32.500 -0.816 0.000 0.729 262 K HN 0.277 nan 8.250 nan 0.000 0.451 263 H N -1.431 117.409 119.070 -0.384 0.000 2.487 263 H HA 0.201 4.757 4.556 -0.001 0.000 0.290 263 H C 0.686 176.040 175.328 0.043 0.000 1.081 263 H CA 0.570 56.453 56.048 -0.276 0.000 1.116 263 H CB 1.147 30.571 29.762 -0.564 0.000 1.560 263 H HN 0.498 nan 8.280 nan 0.000 0.548 264 G N 0.557 109.419 108.800 0.103 0.000 2.157 264 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.239 264 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.239 264 G C 0.393 175.434 174.900 0.234 0.000 0.982 264 G CA -0.076 45.126 45.100 0.170 0.000 0.650 264 G HN 0.406 nan 8.290 nan 0.000 0.527 265 W N 0.722 121.991 121.300 -0.051 0.000 3.239 265 W HA 0.685 5.345 4.660 -0.000 0.000 0.348 265 W C 1.403 177.886 176.519 -0.060 0.000 1.183 265 W CA -0.011 57.331 57.345 -0.006 0.000 1.819 265 W CB 0.338 29.828 29.460 0.051 0.000 1.091 265 W HN 0.638 nan 8.180 nan 0.000 0.629 266 A N 1.543 124.378 122.820 0.025 0.000 3.056 266 A HA 0.532 4.852 4.320 -0.001 0.000 0.274 266 A C 0.396 178.050 177.584 0.116 0.000 1.661 266 A CA 0.373 52.431 52.037 0.035 0.000 1.363 266 A CB -0.848 18.067 19.000 -0.142 0.000 1.139 266 A HN 0.023 nan 8.150 nan 0.000 0.598 267 S N -0.295 115.475 115.700 0.115 0.000 2.656 267 S HA 0.473 4.942 4.470 -0.001 0.000 0.273 267 S C -0.234 174.403 174.600 0.060 0.000 1.168 267 S CA -0.054 58.186 58.200 0.067 0.000 0.817 267 S CB 1.132 64.334 63.200 0.003 0.000 1.146 267 S HN 0.387 nan 8.310 nan 0.000 0.475 268 D N -0.334 120.091 120.400 0.042 0.000 2.323 268 D HA 0.105 4.744 4.640 -0.001 0.000 0.239 268 D C 0.914 177.225 176.300 0.018 0.000 1.129 268 D CA -0.131 53.892 54.000 0.038 0.000 0.865 268 D CB -0.309 40.511 40.800 0.034 0.000 0.913 268 D HN 0.545 nan 8.370 nan 0.000 0.517 269 R N -0.245 120.248 120.500 -0.012 0.000 2.334 269 R HA 0.237 4.577 4.340 -0.001 0.000 0.216 269 R C -0.209 176.080 176.300 -0.017 0.000 0.905 269 R CA -0.076 56.005 56.100 -0.032 0.000 1.064 269 R CB 1.004 31.247 30.300 -0.096 0.000 1.046 269 R HN 0.065 nan 8.270 nan 0.000 0.508 270 V N 1.182 121.106 119.914 0.017 0.000 2.555 270 V HA 0.347 4.467 4.120 -0.001 0.000 0.302 270 V C -0.851 175.384 176.094 0.234 0.000 1.038 270 V CA -0.960 61.365 62.300 0.043 0.000 0.887 270 V CB 1.361 33.185 31.823 0.002 0.000 0.991 270 V HN 0.303 nan 8.190 nan 0.000 0.434 271 W N 5.404 126.729 121.300 0.042 0.000 2.736 271 W HA 0.867 5.526 4.660 -0.000 0.000 0.335 271 W C -2.113 174.534 176.519 0.212 0.000 1.059 271 W CA -1.085 56.301 57.345 0.069 0.000 1.226 271 W CB 1.214 30.678 29.460 0.007 0.000 1.416 271 W HN 0.390 nan 8.180 nan 0.000 0.505 272 L N 4.403 125.688 121.223 0.104 0.000 2.362 272 L HA 0.746 5.086 4.340 -0.001 0.000 0.275 272 L C 0.209 177.099 176.870 0.033 0.000 0.998 272 L CA -1.386 53.424 54.840 -0.050 0.000 0.820 272 L CB 1.751 43.659 42.059 -0.252 0.000 1.270 272 L HN 0.766 nan 8.230 nan 0.000 0.415 273 A N 1.781 124.553 122.820 -0.080 0.000 2.331 273 A HA 0.593 4.913 4.320 -0.001 0.000 0.283 273 A C 0.410 178.046 177.584 0.086 0.000 1.142 273 A CA 0.098 52.028 52.037 -0.179 0.000 0.812 273 A CB 0.071 18.616 19.000 -0.757 0.000 1.074 273 A HN 1.040 nan 8.150 nan 0.000 0.497 274 H N 1.191 120.322 119.070 0.103 0.000 4.750 274 H HA -0.305 4.250 4.556 -0.000 0.000 0.061 274 H C 1.160 176.634 175.328 0.243 0.000 0.613 274 H CA 1.644 57.808 56.048 0.193 0.000 0.921 274 H CB -1.772 28.122 29.762 0.219 0.000 0.422 274 H HN 2.287 nan 8.280 nan 0.000 0.809 275 A N 0.570 123.624 122.820 0.389 0.000 2.560 275 A HA -0.148 4.172 4.320 -0.001 0.000 0.299 275 A C 1.555 179.324 177.584 0.308 0.000 1.484 275 A CA 1.355 53.605 52.037 0.355 0.000 0.749 275 A CB -1.879 17.363 19.000 0.405 0.000 1.072 275 A HN 0.462 nan 8.150 nan 0.000 0.426 276 V N -0.795 119.233 119.914 0.190 0.000 2.446 276 V HA -0.053 4.067 4.120 -0.001 0.000 0.244 276 V C 1.627 177.737 176.094 0.026 0.000 1.039 276 V CA 1.919 64.300 62.300 0.135 0.000 1.045 276 V CB -0.036 31.846 31.823 0.099 0.000 0.681 276 V HN 1.538 nan 8.190 nan 0.000 0.459 277 V N -1.469 118.410 119.914 -0.059 0.000 2.562 277 V HA 0.480 4.600 4.120 -0.001 0.000 0.274 277 V C -2.484 173.380 176.094 -0.383 0.000 1.075 277 V CA -1.803 60.407 62.300 -0.151 0.000 1.204 277 V CB 0.082 31.826 31.823 -0.132 0.000 1.478 277 V HN 0.291 nan 8.190 nan 0.000 0.622 278 P HA 0.418 nan 4.420 nan 0.000 0.274 278 P C -2.784 174.215 177.300 -0.502 0.000 1.237 278 P CA -1.453 61.074 63.100 -0.955 0.000 0.793 278 P CB 0.305 31.826 31.700 -0.299 0.000 0.977 279 P HA 0.189 nan 4.420 nan 0.000 0.271 279 P C 1.049 178.218 177.300 -0.219 0.000 1.220 279 P CA -0.153 62.811 63.100 -0.227 0.000 0.768 279 P CB 0.327 31.951 31.700 -0.127 0.000 0.848 280 R N 3.021 123.421 120.500 -0.167 0.000 2.159 280 R HA -0.144 4.196 4.340 -0.001 0.000 0.237 280 R C 1.693 177.881 176.300 -0.187 0.000 1.131 280 R CA 1.292 57.294 56.100 -0.163 0.000 0.982 280 R CB -0.677 29.552 30.300 -0.118 0.000 0.868 280 R HN 0.639 nan 8.270 nan 0.000 0.453 281 E N 0.725 120.831 120.200 -0.157 0.000 2.418 281 E HA -0.159 4.190 4.350 -0.001 0.000 0.197 281 E C 0.800 177.272 176.600 -0.213 0.000 1.026 281 E CA 0.924 57.240 56.400 -0.140 0.000 0.862 281 E CB -0.074 29.582 29.700 -0.074 0.000 0.799 281 E HN 0.436 nan 8.360 nan 0.000 0.518 282 E N 0.488 120.481 120.200 -0.344 0.000 2.385 282 E HA 0.099 4.449 4.350 -0.001 0.000 0.194 282 E C 2.093 177.947 176.600 -1.243 0.000 1.013 282 E CA 0.020 56.046 56.400 -0.623 0.000 0.866 282 E CB 0.018 29.403 29.700 -0.525 0.000 0.832 282 E HN 0.290 nan 8.360 nan 0.000 0.500 283 I N 1.611 121.610 120.570 -0.951 0.000 2.208 283 I HA -0.217 3.953 4.170 -0.001 0.000 0.245 283 I C -0.794 175.037 176.117 -0.477 0.000 1.097 283 I CA 1.162 61.975 61.300 -0.812 0.000 1.363 283 I CB -1.162 36.701 38.000 -0.228 0.000 1.051 283 I HN 0.068 nan 8.210 nan 0.000 0.413 284 P HA -0.144 nan 4.420 nan 0.000 0.220 284 P C 1.224 178.451 177.300 -0.121 0.000 1.148 284 P CA 1.307 64.319 63.100 -0.146 0.000 0.803 284 P CB -0.039 31.603 31.700 -0.097 0.000 0.782 285 E N -1.384 118.684 120.200 -0.219 0.000 2.106 285 E HA -0.136 4.214 4.350 -0.001 0.000 0.192 285 E C 1.703 178.313 176.600 0.018 0.000 0.984 285 E CA 0.930 57.311 56.400 -0.032 0.000 0.806 285 E CB -0.495 29.259 29.700 0.089 0.000 0.750 285 E HN 0.217 nan 8.360 nan 0.000 0.458 286 F N 1.250 120.959 119.950 -0.402 0.000 2.095 286 F HA -0.157 4.370 4.527 -0.001 0.000 0.298 286 F C 2.508 178.242 175.800 -0.110 0.000 1.104 286 F CA 0.879 58.630 58.000 -0.416 0.000 1.232 286 F CB -1.425 37.338 39.000 -0.395 0.000 0.987 286 F HN -0.004 nan 8.300 nan 0.000 0.475 287 A N 0.201 123.087 122.820 0.111 0.000 1.877 287 A HA -0.183 4.137 4.320 -0.001 0.000 0.216 287 A C 2.033 179.673 177.584 0.094 0.000 1.186 287 A CA 1.992 54.082 52.037 0.087 0.000 0.620 287 A CB -0.921 18.112 19.000 0.055 0.000 0.822 287 A HN 0.271 nan 8.150 nan 0.000 0.443 288 D N -0.005 120.454 120.400 0.098 0.000 2.178 288 D HA -0.037 4.603 4.640 -0.001 0.000 0.201 288 D C 2.087 178.474 176.300 0.145 0.000 0.980 288 D CA 1.461 55.526 54.000 0.109 0.000 0.842 288 D CB -0.333 40.533 40.800 0.109 0.000 0.948 288 D HN 0.442 nan 8.370 nan 0.000 0.472 289 A N -0.235 122.716 122.820 0.219 0.000 2.067 289 A HA 0.295 4.615 4.320 -0.001 0.000 0.217 289 A C 1.870 179.559 177.584 0.175 0.000 1.156 289 A CA 1.489 53.677 52.037 0.253 0.000 0.683 289 A CB -0.273 19.013 19.000 0.477 0.000 0.808 289 A HN 0.287 nan 8.150 nan 0.000 0.455 290 G N -0.881 108.004 108.800 0.142 0.000 2.136 290 G HA2 -0.122 3.838 3.960 -0.001 0.000 0.242 290 G HA3 -0.122 3.838 3.960 -0.001 0.000 0.242 290 G C 0.387 175.339 174.900 0.085 0.000 0.989 290 G CA 0.521 45.678 45.100 0.094 0.000 0.682 290 G HN 1.717 nan 8.290 nan 0.000 0.522 291 V N -1.708 118.268 119.914 0.103 0.000 2.924 291 V HA 0.812 4.932 4.120 -0.001 0.000 0.305 291 V C 0.730 176.831 176.094 0.012 0.000 1.073 291 V CA -0.019 62.316 62.300 0.059 0.000 1.098 291 V CB 1.427 33.266 31.823 0.026 0.000 1.000 291 V HN 1.821 nan 8.190 nan 0.000 0.484 292 A N 4.623 127.466 122.820 0.039 0.000 2.311 292 A HA 0.899 5.219 4.320 -0.001 0.000 0.334 292 A C -0.485 177.120 177.584 0.036 0.000 1.139 292 A CA -0.905 51.157 52.037 0.040 0.000 0.830 292 A CB 0.988 20.037 19.000 0.082 0.000 1.234 292 A HN 0.914 nan 8.150 nan 0.000 0.483 293 I N 0.753 121.327 120.570 0.006 0.000 2.498 293 I HA 0.507 4.676 4.170 -0.001 0.000 0.290 293 I C 0.193 176.370 176.117 0.099 0.000 1.032 293 I CA -0.530 60.771 61.300 0.001 0.000 1.073 293 I CB 2.135 40.008 38.000 -0.212 0.000 1.251 293 I HN 0.703 nan 8.210 nan 0.000 0.426 294 A N 4.610 127.525 122.820 0.158 0.000 2.252 294 A HA 0.415 4.734 4.320 -0.001 0.000 0.309 294 A C -0.707 176.896 177.584 0.032 0.000 1.285 294 A CA -0.275 51.836 52.037 0.123 0.000 0.900 294 A CB -0.010 19.116 19.000 0.211 0.000 1.157 294 A HN 0.717 nan 8.150 nan 0.000 0.536 295 H N 2.762 121.721 119.070 -0.185 0.000 2.767 295 H HA 0.468 5.024 4.556 -0.001 0.000 0.316 295 H C -0.773 174.149 175.328 -0.676 0.000 1.059 295 H CA -0.429 55.417 56.048 -0.338 0.000 1.461 295 H CB 0.392 29.959 29.762 -0.326 0.000 1.475 295 H HN 0.482 nan 8.280 nan 0.000 0.531 296 L N 7.511 128.428 121.223 -0.512 0.000 2.556 296 L HA 0.168 4.508 4.340 -0.001 0.000 0.243 296 L C 1.143 177.798 176.870 -0.358 0.000 1.331 296 L CA -0.353 54.205 54.840 -0.469 0.000 0.927 296 L CB 0.508 42.363 42.059 -0.341 0.000 1.219 296 L HN 0.560 nan 8.230 nan 0.000 0.490 297 I N 1.864 122.069 120.570 -0.608 0.000 2.286 297 I HA -0.233 3.937 4.170 -0.001 0.000 0.248 297 I C 2.430 178.497 176.117 -0.084 0.000 1.115 297 I CA 2.091 63.215 61.300 -0.293 0.000 1.392 297 I CB 0.217 38.129 38.000 -0.147 0.000 1.065 297 I HN 0.562 nan 8.210 nan 0.000 0.418 298 A N 1.626 124.420 122.820 -0.044 0.000 1.858 298 A HA -0.063 4.257 4.320 -0.001 0.000 0.216 298 A C 0.112 177.646 177.584 -0.083 0.000 1.190 298 A CA 1.954 53.972 52.037 -0.030 0.000 0.617 298 A CB -2.252 16.754 19.000 0.010 0.000 0.827 298 A HN 0.439 nan 8.150 nan 0.000 0.443 299 P HA -0.114 nan 4.420 nan 0.000 0.219 299 P C 0.180 177.284 177.300 -0.327 0.000 1.150 299 P CA 1.341 64.312 63.100 -0.215 0.000 0.814 299 P CB -0.162 31.490 31.700 -0.080 0.000 0.787 300 D N -0.014 120.343 120.400 -0.072 0.000 2.144 300 D HA -0.095 4.544 4.640 -0.001 0.000 0.199 300 D C 2.171 178.419 176.300 -0.088 0.000 0.984 300 D CA 0.969 54.993 54.000 0.041 0.000 0.834 300 D CB -0.658 40.284 40.800 0.237 0.000 0.955 300 D HN 0.219 nan 8.370 nan 0.000 0.465 301 L N 0.012 121.173 121.223 -0.103 0.000 2.095 301 L HA -0.003 4.337 4.340 -0.001 0.000 0.204 301 L C 2.615 179.376 176.870 -0.182 0.000 1.080 301 L CA 0.568 55.342 54.840 -0.110 0.000 0.759 301 L CB -0.330 41.682 42.059 -0.079 0.000 0.914 301 L HN -0.056 nan 8.230 nan 0.000 0.439 302 R N 0.294 120.656 120.500 -0.229 0.000 2.105 302 R HA -0.173 4.166 4.340 -0.001 0.000 0.239 302 R C 1.951 178.034 176.300 -0.362 0.000 1.135 302 R CA 1.413 57.361 56.100 -0.253 0.000 0.967 302 R CB 0.032 30.181 30.300 -0.252 0.000 0.861 302 R HN 0.260 nan 8.270 nan 0.000 0.442 303 M N -0.897 118.334 119.600 -0.616 0.000 2.561 303 M HA 0.164 4.643 4.480 -0.001 0.000 0.238 303 M C 1.194 177.200 176.300 -0.490 0.000 1.131 303 M CA 0.849 55.667 55.300 -0.803 0.000 1.046 303 M CB -0.142 31.380 32.600 -1.798 0.000 1.532 303 M HN 0.416 nan 8.290 nan 0.000 0.497 304 G N -0.784 107.846 108.800 -0.283 0.000 2.148 304 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.254 304 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.254 304 G C 0.532 175.489 174.900 0.095 0.000 0.981 304 G CA 0.339 45.396 45.100 -0.072 0.000 0.670 304 G HN 0.463 nan 8.290 nan 0.000 0.528 305 W N 0.355 121.613 121.300 -0.071 0.000 2.418 305 W HA 0.392 5.052 4.660 -0.001 0.000 0.292 305 W C 1.779 178.272 176.519 -0.043 0.000 1.213 305 W CA 1.649 58.956 57.345 -0.063 0.000 1.283 305 W CB -0.916 28.498 29.460 -0.076 0.000 1.119 305 W HN 1.380 nan 8.180 nan 0.000 0.542 306 G N -0.299 108.607 108.800 0.177 0.000 2.416 306 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.203 306 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.203 306 G C -1.377 173.566 174.900 0.072 0.000 1.227 306 G CA -0.751 44.397 45.100 0.080 0.000 1.041 306 G HN -0.017 nan 8.290 nan 0.000 0.546 307 L N 1.244 122.484 121.223 0.028 0.000 2.276 307 L HA 0.669 5.009 4.340 -0.001 0.000 0.286 307 L C 1.108 178.031 176.870 0.089 0.000 1.024 307 L CA -0.332 54.508 54.840 -0.000 0.000 0.826 307 L CB 1.332 43.330 42.059 -0.102 0.000 1.211 307 L HN 1.106 nan 8.230 nan 0.000 0.422 308 A N 5.901 128.827 122.820 0.177 0.000 2.483 308 A HA 0.320 4.640 4.320 -0.001 0.000 0.238 308 A C -1.974 175.592 177.584 -0.030 0.000 1.070 308 A CA -0.810 51.293 52.037 0.111 0.000 0.770 308 A CB -0.309 18.812 19.000 0.201 0.000 1.008 308 A HN 0.538 nan 8.150 nan 0.000 0.497 309 P HA 0.105 nan 4.420 nan 0.000 0.225 309 P C 0.636 177.529 177.300 -0.679 0.000 1.813 309 P CA -0.227 62.628 63.100 -0.408 0.000 1.013 309 P CB -0.031 31.395 31.700 -0.457 0.000 1.961 310 I N 0.990 121.310 120.570 -0.416 0.000 2.252 310 I HA -0.183 3.987 4.170 -0.001 0.000 0.245 310 I C 2.476 178.472 176.117 -0.202 0.000 1.102 310 I CA 1.240 62.350 61.300 -0.317 0.000 1.385 310 I CB -1.250 36.496 38.000 -0.423 0.000 1.064 310 I HN 0.186 nan 8.210 nan 0.000 0.414 311 R N 1.824 122.205 120.500 -0.197 0.000 2.091 311 R HA -0.197 4.143 4.340 -0.001 0.000 0.238 311 R C 2.004 178.253 176.300 -0.084 0.000 1.136 311 R CA 1.637 57.677 56.100 -0.100 0.000 0.959 311 R CB -0.427 29.836 30.300 -0.062 0.000 0.856 311 R HN 0.288 nan 8.270 nan 0.000 0.437 312 E N -0.834 119.271 120.200 -0.160 0.000 2.077 312 E HA -0.172 4.177 4.350 -0.001 0.000 0.193 312 E C 1.803 178.396 176.600 -0.013 0.000 0.989 312 E CA 1.595 57.917 56.400 -0.130 0.000 0.800 312 E CB -0.377 29.193 29.700 -0.217 0.000 0.746 312 E HN 0.385 nan 8.360 nan 0.000 0.452 313 Y N 0.367 120.669 120.300 0.003 0.000 2.145 313 Y HA -0.126 4.424 4.550 -0.001 0.000 0.286 313 Y C 2.116 178.027 175.900 0.018 0.000 1.145 313 Y CA 0.697 58.814 58.100 0.029 0.000 1.148 313 Y CB -0.871 37.615 38.460 0.043 0.000 0.981 313 Y HN 0.025 nan 8.280 nan 0.000 0.507 314 L N -0.418 120.897 121.223 0.154 0.000 2.083 314 L HA -0.228 4.111 4.340 -0.001 0.000 0.209 314 L C 1.995 178.902 176.870 0.061 0.000 1.083 314 L CA 1.448 56.340 54.840 0.088 0.000 0.752 314 L CB -0.555 41.534 42.059 0.051 0.000 0.899 314 L HN 0.127 nan 8.230 nan 0.000 0.433 315 D N 0.362 120.788 120.400 0.043 0.000 2.144 315 D HA -0.144 4.495 4.640 -0.001 0.000 0.199 315 D C 2.076 178.398 176.300 0.035 0.000 0.984 315 D CA 1.490 55.506 54.000 0.026 0.000 0.834 315 D CB 0.046 40.849 40.800 0.004 0.000 0.955 315 D HN 0.315 nan 8.370 nan 0.000 0.465 316 A N -0.473 122.382 122.820 0.059 0.000 2.238 316 A HA 0.383 4.702 4.320 -0.001 0.000 0.208 316 A C 1.741 179.360 177.584 0.060 0.000 1.177 316 A CA 1.098 53.169 52.037 0.057 0.000 0.804 316 A CB -0.200 18.847 19.000 0.077 0.000 0.823 316 A HN 0.251 nan 8.150 nan 0.000 0.482 317 G N -0.795 108.043 108.800 0.064 0.000 2.136 317 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.242 317 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.242 317 G C 0.084 175.020 174.900 0.059 0.000 0.989 317 G CA 0.242 45.375 45.100 0.055 0.000 0.682 317 G HN 0.470 nan 8.290 nan 0.000 0.522 318 I N 1.780 122.397 120.570 0.079 0.000 2.496 318 I HA 0.179 4.348 4.170 -0.001 0.000 0.285 318 I C 1.157 177.301 176.117 0.046 0.000 1.080 318 I CA -0.163 61.173 61.300 0.060 0.000 1.404 318 I CB 0.890 38.923 38.000 0.055 0.000 1.403 318 I HN 0.032 nan 8.210 nan 0.000 0.539 319 T N 6.227 120.796 114.554 0.024 0.000 2.867 319 T HA 0.161 4.510 4.350 -0.001 0.000 0.297 319 T C -0.061 174.649 174.700 0.018 0.000 0.989 319 T CA -0.166 61.944 62.100 0.016 0.000 1.159 319 T CB 0.223 69.093 68.868 0.003 0.000 0.928 319 T HN 0.241 nan 8.240 nan 0.000 0.538 320 V N 3.722 123.659 119.914 0.038 0.000 2.444 320 V HA 0.682 4.802 4.120 -0.001 0.000 0.294 320 V C 0.757 176.894 176.094 0.072 0.000 1.022 320 V CA -0.729 61.612 62.300 0.068 0.000 0.850 320 V CB 1.647 33.540 31.823 0.115 0.000 0.992 320 V HN 1.014 nan 8.190 nan 0.000 0.426 321 G N 2.646 111.492 108.800 0.077 0.000 2.795 321 G HA2 0.775 4.734 3.960 -0.001 0.000 0.267 321 G HA3 0.775 4.734 3.960 -0.001 0.000 0.267 321 G C -1.615 173.396 174.900 0.185 0.000 1.362 321 G CA -0.522 44.631 45.100 0.089 0.000 1.048 321 G HN 0.437 nan 8.290 nan 0.000 0.547 322 F N -1.547 118.425 119.950 0.037 0.000 2.601 322 F HA 0.649 5.176 4.527 -0.000 0.000 0.309 322 F C 0.289 176.115 175.800 0.043 0.000 1.089 322 F CA 0.024 58.057 58.000 0.055 0.000 0.940 322 F CB 2.489 41.508 39.000 0.031 0.000 1.273 322 F HN 0.850 nan 8.300 nan 0.000 0.450 323 G N 0.186 109.071 108.800 0.140 0.000 2.687 323 G HA2 0.428 4.388 3.960 -0.001 0.000 0.291 323 G HA3 0.428 4.388 3.960 -0.001 0.000 0.291 323 G C -0.277 174.724 174.900 0.169 0.000 1.420 323 G CA -0.058 45.153 45.100 0.186 0.000 0.796 323 G HN 0.729 nan 8.290 nan 0.000 0.485 324 T N -3.522 111.123 114.554 0.152 0.000 3.014 324 T HA 0.331 4.680 4.350 -0.001 0.000 0.250 324 T C 1.235 176.000 174.700 0.109 0.000 1.060 324 T CA 1.312 63.488 62.100 0.127 0.000 1.040 324 T CB -0.196 68.743 68.868 0.117 0.000 0.971 324 T HN 1.663 nan 8.240 nan 0.000 0.497 325 T N 0.556 115.192 114.554 0.137 0.000 0.541 325 T HA -0.053 4.296 4.350 -0.001 0.000 0.774 325 T C 0.479 175.247 174.700 0.113 0.000 0.992 325 T CA 0.731 62.930 62.100 0.164 0.000 4.077 325 T CB -1.317 67.749 68.868 0.329 0.000 2.303 325 T HN 1.097 nan 8.240 nan 0.000 0.398 326 G N 0.117 109.048 108.800 0.218 0.000 2.572 326 G HA2 0.460 4.420 3.960 -0.001 0.000 0.261 326 G HA3 0.460 4.420 3.960 -0.001 0.000 0.261 326 G C 1.007 175.998 174.900 0.152 0.000 1.197 326 G CA 0.304 45.522 45.100 0.196 0.000 0.870 326 G HN 0.813 nan 8.290 nan 0.000 0.548 327 S N 0.328 116.088 115.700 0.099 0.000 2.607 327 S HA 0.050 4.519 4.470 -0.001 0.000 0.224 327 S C 2.247 176.909 174.600 0.104 0.000 0.969 327 S CA 0.568 58.821 58.200 0.087 0.000 0.927 327 S CB 0.078 63.318 63.200 0.066 0.000 0.772 327 S HN 0.768 nan 8.310 nan 0.000 0.533 328 A N 1.226 124.135 122.820 0.147 0.000 2.169 328 A HA 0.148 4.467 4.320 -0.001 0.000 0.212 328 A C 1.327 179.182 177.584 0.453 0.000 1.153 328 A CA 0.623 52.800 52.037 0.233 0.000 0.756 328 A CB 0.017 19.082 19.000 0.108 0.000 0.813 328 A HN 0.444 nan 8.150 nan 0.000 0.471 329 S N -1.117 114.753 115.700 0.284 0.000 2.526 329 S HA 0.342 4.812 4.470 -0.001 0.000 0.220 329 S C 0.018 174.606 174.600 -0.020 0.000 1.159 329 S CA -0.324 57.891 58.200 0.024 0.000 1.196 329 S CB -0.198 62.766 63.200 -0.394 0.000 1.225 329 S HN 0.432 nan 8.310 nan 0.000 0.432 330 N N 1.399 120.118 118.700 0.032 0.000 2.919 330 N HA 0.073 4.813 4.740 -0.001 0.000 0.263 330 N C -0.874 174.648 175.510 0.020 0.000 0.913 330 N CA 0.306 53.368 53.050 0.020 0.000 1.085 330 N CB 0.370 38.887 38.487 0.050 0.000 1.553 330 N HN 0.266 nan 8.380 nan 0.000 0.932 331 D N 0.800 121.222 120.400 0.035 0.000 2.559 331 D HA 0.386 5.026 4.640 -0.001 0.000 0.234 331 D C 0.133 176.465 176.300 0.054 0.000 1.226 331 D CA -0.017 54.016 54.000 0.055 0.000 0.830 331 D CB 0.687 41.521 40.800 0.057 0.000 1.028 331 D HN 0.326 nan 8.370 nan 0.000 0.492 332 G N -1.305 107.526 108.800 0.052 0.000 2.932 332 G HA2 0.513 4.472 3.960 -0.001 0.000 0.283 332 G HA3 0.513 4.472 3.960 -0.001 0.000 0.283 332 G C 0.574 175.513 174.900 0.065 0.000 1.336 332 G CA -0.803 44.330 45.100 0.055 0.000 1.056 332 G HN 0.029 nan 8.290 nan 0.000 0.522 333 G N -0.641 108.199 108.800 0.067 0.000 3.805 333 G HA2 0.129 4.089 3.960 -0.001 0.000 0.290 333 G HA3 0.129 4.089 3.960 -0.001 0.000 0.290 333 G C 0.255 175.203 174.900 0.080 0.000 1.077 333 G CA -0.311 44.835 45.100 0.076 0.000 0.852 333 G HN 0.453 nan 8.290 nan 0.000 0.531 334 N N 1.324 120.068 118.700 0.073 0.000 2.663 334 N HA 0.118 4.857 4.740 -0.001 0.000 0.250 334 N C 1.334 176.883 175.510 0.065 0.000 1.129 334 N CA -0.595 52.498 53.050 0.072 0.000 0.995 334 N CB 0.875 39.397 38.487 0.059 0.000 1.324 334 N HN 0.051 nan 8.380 nan 0.000 0.512 335 L N 4.176 125.444 121.223 0.074 0.000 2.017 335 L HA -0.025 4.315 4.340 -0.001 0.000 0.208 335 L C 1.781 178.623 176.870 -0.047 0.000 1.073 335 L CA 1.399 56.270 54.840 0.052 0.000 0.745 335 L CB -0.756 41.349 42.059 0.076 0.000 0.894 335 L HN 0.566 nan 8.230 nan 0.000 0.432 336 L N -0.212 120.995 121.223 -0.028 0.000 2.042 336 L HA -0.072 4.268 4.340 -0.001 0.000 0.210 336 L C 2.338 179.135 176.870 -0.122 0.000 1.076 336 L CA 2.172 56.942 54.840 -0.118 0.000 0.749 336 L CB -1.466 40.526 42.059 -0.112 0.000 0.893 336 L HN 0.319 nan 8.230 nan 0.000 0.432 337 G N -1.345 107.424 108.800 -0.050 0.000 2.422 337 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.218 337 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.218 337 G C 1.239 176.117 174.900 -0.037 0.000 1.146 337 G CA 0.869 45.947 45.100 -0.037 0.000 0.769 337 G HN 0.431 nan 8.290 nan 0.000 0.547 338 D N 0.358 120.746 120.400 -0.020 0.000 2.219 338 D HA -0.028 4.612 4.640 -0.001 0.000 0.205 338 D C 2.600 178.878 176.300 -0.037 0.000 0.970 338 D CA 0.200 54.219 54.000 0.032 0.000 0.851 338 D CB -0.158 40.737 40.800 0.158 0.000 0.943 338 D HN 0.301 nan 8.370 nan 0.000 0.488 339 L N 0.261 121.336 121.223 -0.246 0.000 2.079 339 L HA -0.152 4.187 4.340 -0.001 0.000 0.210 339 L C 2.568 179.373 176.870 -0.107 0.000 1.081 339 L CA 1.009 55.649 54.840 -0.334 0.000 0.752 339 L CB -0.333 41.491 42.059 -0.391 0.000 0.896 339 L HN 0.007 nan 8.230 nan 0.000 0.433 340 R N 0.377 120.829 120.500 -0.080 0.000 2.081 340 R HA -0.205 4.135 4.340 -0.001 0.000 0.235 340 R C 2.349 178.649 176.300 0.001 0.000 1.131 340 R CA 1.286 57.363 56.100 -0.038 0.000 0.960 340 R CB -0.244 30.029 30.300 -0.045 0.000 0.856 340 R HN 0.172 nan 8.270 nan 0.000 0.436 341 L N 0.841 122.072 121.223 0.015 0.000 2.012 341 L HA -0.130 4.209 4.340 -0.001 0.000 0.210 341 L C 2.292 179.210 176.870 0.080 0.000 1.073 341 L CA 2.263 57.122 54.840 0.033 0.000 0.748 341 L CB -0.728 41.353 42.059 0.038 0.000 0.891 341 L HN 0.303 nan 8.230 nan 0.000 0.431 342 A N -0.915 122.008 122.820 0.172 0.000 1.898 342 A HA -0.041 4.278 4.320 -0.001 0.000 0.216 342 A C 2.444 180.211 177.584 0.305 0.000 1.181 342 A CA 1.567 53.816 52.037 0.353 0.000 0.620 342 A CB -1.097 18.245 19.000 0.570 0.000 0.819 342 A HN 0.544 nan 8.150 nan 0.000 0.442 343 A N -0.349 122.563 122.820 0.152 0.000 1.940 343 A HA -0.072 4.248 4.320 -0.001 0.000 0.219 343 A C 2.153 179.759 177.584 0.036 0.000 1.176 343 A CA 1.695 53.789 52.037 0.094 0.000 0.631 343 A CB -0.477 18.548 19.000 0.041 0.000 0.814 343 A HN 0.485 nan 8.150 nan 0.000 0.446 344 L N -1.760 119.464 121.223 0.003 0.000 2.221 344 L HA 0.066 4.406 4.340 -0.001 0.000 0.202 344 L C 2.961 179.765 176.870 -0.110 0.000 1.074 344 L CA 0.759 55.552 54.840 -0.079 0.000 0.795 344 L CB -0.467 41.553 42.059 -0.065 0.000 0.960 344 L HN 0.359 nan 8.230 nan 0.000 0.458 345 A N -0.987 121.798 122.820 -0.059 0.000 2.015 345 A HA -0.185 4.134 4.320 -0.001 0.000 0.219 345 A C 2.011 179.500 177.584 -0.158 0.000 1.163 345 A CA 1.078 53.047 52.037 -0.113 0.000 0.646 345 A CB -0.716 18.216 19.000 -0.113 0.000 0.806 345 A HN 0.409 nan 8.150 nan 0.000 0.448 346 H N -0.328 118.704 119.070 -0.063 0.000 2.495 346 H HA 0.009 4.565 4.556 -0.000 0.000 0.287 346 H C 2.129 177.340 175.328 -0.195 0.000 1.033 346 H CA 1.207 57.218 56.048 -0.063 0.000 1.307 346 H CB 0.061 29.829 29.762 0.011 0.000 1.401 346 H HN 0.541 nan 8.280 nan 0.000 0.555 347 R N 0.130 120.428 120.500 -0.338 0.000 2.075 347 R HA -0.075 4.265 4.340 -0.001 0.000 0.232 347 R C -0.628 175.412 176.300 -0.433 0.000 1.126 347 R CA 0.978 56.533 56.100 -0.909 0.000 0.963 347 R CB -1.069 28.348 30.300 -1.472 0.000 0.858 347 R HN 0.298 nan 8.270 nan 0.000 0.435 348 P HA -0.035 nan 4.420 nan 0.000 0.230 348 P C 0.508 177.807 177.300 -0.002 0.000 1.158 348 P CA 1.064 64.110 63.100 -0.089 0.000 0.769 348 P CB 0.105 31.755 31.700 -0.084 0.000 0.807 349 A N -0.807 122.020 122.820 0.012 0.000 2.066 349 A HA -0.073 4.247 4.320 -0.001 0.000 0.218 349 A C 1.004 178.656 177.584 0.113 0.000 1.157 349 A CA 1.216 53.286 52.037 0.056 0.000 0.670 349 A CB -0.380 18.657 19.000 0.062 0.000 0.804 349 A HN 0.061 nan 8.150 nan 0.000 0.453 350 D N -0.813 119.713 120.400 0.210 0.000 2.613 350 D HA 0.162 4.802 4.640 -0.001 0.000 0.312 350 D C -2.106 174.443 176.300 0.416 0.000 1.202 350 D CA -0.997 53.175 54.000 0.287 0.000 0.825 350 D CB 0.888 41.884 40.800 0.328 0.000 1.113 350 D HN 0.202 nan 8.370 nan 0.000 0.502 351 P HA -0.112 nan 4.420 nan 0.000 0.220 351 P C 0.476 177.936 177.300 0.267 0.000 1.148 351 P CA 1.054 64.327 63.100 0.288 0.000 0.803 351 P CB 0.415 32.203 31.700 0.146 0.000 0.782 352 N N -0.864 117.923 118.700 0.145 0.000 2.214 352 N HA 0.086 4.825 4.740 -0.001 0.000 0.214 352 N C -0.053 175.430 175.510 -0.044 0.000 1.132 352 N CA -0.031 53.047 53.050 0.048 0.000 0.856 352 N CB 0.417 38.922 38.487 0.030 0.000 1.020 352 N HN 0.148 nan 8.380 nan 0.000 0.509 353 E N 0.816 120.969 120.200 -0.077 0.000 3.374 353 E HA 0.107 4.457 4.350 -0.001 0.000 0.223 353 E C -2.001 174.264 176.600 -0.559 0.000 1.210 353 E CA -1.526 54.748 56.400 -0.210 0.000 0.987 353 E CB 1.201 30.847 29.700 -0.090 0.000 1.322 353 E HN 0.142 nan 8.360 nan 0.000 0.404 354 P HA -0.151 nan 4.420 nan 0.000 0.222 354 P C 0.625 177.372 177.300 -0.922 0.000 1.147 354 P CA 0.965 62.959 63.100 -1.843 0.000 0.790 354 P CB 0.435 31.270 31.700 -1.442 0.000 0.780 355 E N 0.384 120.296 120.200 -0.479 0.000 2.265 355 E HA -0.135 4.215 4.350 -0.001 0.000 0.196 355 E C 1.823 178.333 176.600 -0.149 0.000 0.996 355 E CA 1.041 57.298 56.400 -0.238 0.000 0.832 355 E CB -0.547 29.057 29.700 -0.160 0.000 0.756 355 E HN 0.368 nan 8.360 nan 0.000 0.491 356 K N -0.463 119.837 120.400 -0.167 0.000 2.305 356 K HA -0.023 4.296 4.320 -0.001 0.000 0.199 356 K C -0.060 176.636 176.600 0.160 0.000 1.047 356 K CA 0.050 56.337 56.287 -0.000 0.000 0.976 356 K CB 0.125 32.650 32.500 0.042 0.000 0.765 356 K HN 0.100 nan 8.250 nan 0.000 0.474 357 W N 2.260 123.559 121.300 -0.001 0.000 2.170 357 W HA 0.072 4.731 4.660 -0.001 0.000 0.342 357 W C 0.418 176.932 176.519 -0.008 0.000 1.294 357 W CA -0.971 56.379 57.345 0.010 0.000 1.246 357 W CB -0.289 29.188 29.460 0.029 0.000 1.156 357 W HN -0.059 nan 8.180 nan 0.000 0.572 358 L N 3.624 124.966 121.223 0.198 0.000 2.410 358 L HA 0.111 4.451 4.340 -0.001 0.000 0.273 358 L C 1.102 178.050 176.870 0.131 0.000 1.152 358 L CA -0.254 54.646 54.840 0.099 0.000 0.855 358 L CB 0.063 42.136 42.059 0.023 0.000 1.129 358 L HN 0.433 nan 8.230 nan 0.000 0.463 359 S N 2.124 117.886 115.700 0.103 0.000 2.652 359 S HA 0.433 4.903 4.470 -0.001 0.000 0.270 359 S C 1.119 175.764 174.600 0.074 0.000 1.243 359 S CA -0.219 58.038 58.200 0.096 0.000 0.999 359 S CB 1.758 65.005 63.200 0.080 0.000 0.973 359 S HN 0.683 nan 8.310 nan 0.000 0.544 360 A N 1.856 124.713 122.820 0.062 0.000 1.917 360 A HA -0.133 4.187 4.320 -0.001 0.000 0.219 360 A C 2.367 179.988 177.584 0.061 0.000 1.182 360 A CA 1.615 53.675 52.037 0.038 0.000 0.633 360 A CB -0.829 18.185 19.000 0.023 0.000 0.819 360 A HN 0.920 nan 8.150 nan 0.000 0.448 361 R N -0.622 119.934 120.500 0.093 0.000 2.092 361 R HA -0.103 4.237 4.340 -0.001 0.000 0.231 361 R C 2.157 178.557 176.300 0.167 0.000 1.119 361 R CA 1.477 57.681 56.100 0.172 0.000 0.970 361 R CB -0.272 30.121 30.300 0.155 0.000 0.864 361 R HN 0.698 nan 8.270 nan 0.000 0.440 362 E N 0.523 120.782 120.200 0.099 0.000 2.077 362 E HA -0.185 4.165 4.350 -0.001 0.000 0.193 362 E C 1.978 178.594 176.600 0.026 0.000 0.989 362 E CA 1.037 57.474 56.400 0.063 0.000 0.800 362 E CB -0.040 29.696 29.700 0.060 0.000 0.746 362 E HN 0.282 nan 8.360 nan 0.000 0.452 363 L N 0.457 121.696 121.223 0.027 0.000 2.056 363 L HA -0.173 4.167 4.340 -0.001 0.000 0.207 363 L C 2.399 179.201 176.870 -0.113 0.000 1.078 363 L CA 0.792 55.619 54.840 -0.021 0.000 0.749 363 L CB -0.278 41.753 42.059 -0.047 0.000 0.901 363 L HN 0.152 nan 8.230 nan 0.000 0.433 364 L N -0.629 120.553 121.223 -0.069 0.000 2.083 364 L HA -0.209 4.131 4.340 -0.001 0.000 0.209 364 L C 2.837 179.475 176.870 -0.388 0.000 1.083 364 L CA 1.089 55.883 54.840 -0.077 0.000 0.752 364 L CB -0.518 41.656 42.059 0.192 0.000 0.899 364 L HN 0.254 nan 8.230 nan 0.000 0.433 365 R N 0.353 120.505 120.500 -0.579 0.000 2.081 365 R HA -0.164 4.175 4.340 -0.001 0.000 0.235 365 R C 2.325 178.369 176.300 -0.426 0.000 1.131 365 R CA 1.507 57.031 56.100 -0.960 0.000 0.960 365 R CB -0.170 29.803 30.300 -0.545 0.000 0.856 365 R HN 0.298 nan 8.270 nan 0.000 0.436 366 M N -0.076 119.420 119.600 -0.172 0.000 2.108 366 M HA -0.145 4.335 4.480 -0.001 0.000 0.261 366 M C 2.230 178.531 176.300 0.003 0.000 1.066 366 M CA 1.981 57.281 55.300 -0.000 0.000 1.107 366 M CB -0.175 32.556 32.600 0.219 0.000 1.356 366 M HN 0.238 nan 8.290 nan 0.000 0.406 367 A N -0.431 122.344 122.820 -0.075 0.000 2.235 367 A HA -0.010 4.310 4.320 -0.001 0.000 0.208 367 A C 1.823 179.368 177.584 -0.065 0.000 1.172 367 A CA 1.426 53.434 52.037 -0.048 0.000 0.786 367 A CB -0.661 18.253 19.000 -0.143 0.000 0.804 367 A HN 0.603 nan 8.150 nan 0.000 0.479 368 T N -3.663 110.800 114.554 -0.152 0.000 3.409 368 T HA 0.148 4.498 4.350 -0.001 0.000 0.188 368 T C 1.751 176.370 174.700 -0.135 0.000 0.929 368 T CA 0.420 62.446 62.100 -0.123 0.000 1.184 368 T CB -0.196 68.605 68.868 -0.110 0.000 1.570 368 T HN 0.154 nan 8.240 nan 0.000 0.367 369 R N 1.300 121.676 120.500 -0.207 0.000 2.096 369 R HA 0.052 4.392 4.340 -0.001 0.000 0.235 369 R C 2.571 178.800 176.300 -0.119 0.000 1.127 369 R CA 1.776 57.799 56.100 -0.128 0.000 0.968 369 R CB -1.045 29.190 30.300 -0.109 0.000 0.861 369 R HN 0.591 nan 8.270 nan 0.000 0.440 370 G N -0.644 108.076 108.800 -0.134 0.000 2.421 370 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.216 370 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.216 370 G C 1.437 176.280 174.900 -0.095 0.000 1.171 370 G CA 0.857 45.908 45.100 -0.082 0.000 0.775 370 G HN 0.327 nan 8.290 nan 0.000 0.543 371 S N 0.853 116.495 115.700 -0.096 0.000 2.382 371 S HA 0.003 4.473 4.470 -0.001 0.000 0.228 371 S C 2.781 177.233 174.600 -0.247 0.000 1.027 371 S CA 1.177 59.285 58.200 -0.153 0.000 0.991 371 S CB -0.346 62.797 63.200 -0.095 0.000 0.823 371 S HN 0.590 nan 8.310 nan 0.000 0.469 372 A N 1.508 124.218 122.820 -0.183 0.000 1.908 372 A HA -0.182 4.137 4.320 -0.001 0.000 0.218 372 A C 1.966 179.427 177.584 -0.206 0.000 1.181 372 A CA 1.684 53.609 52.037 -0.188 0.000 0.627 372 A CB -0.595 18.343 19.000 -0.103 0.000 0.818 372 A HN 0.562 nan 8.150 nan 0.000 0.445 373 E N -0.912 119.191 120.200 -0.161 0.000 2.077 373 E HA -0.179 4.170 4.350 -0.001 0.000 0.193 373 E C 2.048 178.525 176.600 -0.204 0.000 0.989 373 E CA 1.242 57.559 56.400 -0.138 0.000 0.800 373 E CB -0.421 29.231 29.700 -0.081 0.000 0.746 373 E HN 0.675 nan 8.360 nan 0.000 0.452 374 C N 0.409 119.536 119.300 -0.288 0.000 2.413 374 C HA -0.135 4.324 4.460 -0.001 0.000 0.276 374 C C 2.227 176.705 174.990 -0.854 0.000 1.248 374 C CA 0.451 59.189 59.018 -0.467 0.000 1.742 374 C CB -0.661 26.717 27.740 -0.603 0.000 2.017 374 C HN 0.349 nan 8.230 nan 0.000 0.481 375 L N 0.471 121.171 121.223 -0.871 0.000 2.599 375 L HA 0.217 4.557 4.340 -0.001 0.000 0.230 375 L C 1.763 178.397 176.870 -0.394 0.000 1.141 375 L CA 1.493 55.774 54.840 -0.932 0.000 0.877 375 L CB -1.225 40.284 42.059 -0.916 0.000 1.009 375 L HN 0.500 nan 8.230 nan 0.000 0.447 376 G N 0.555 109.199 108.800 -0.259 0.000 2.289 376 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.280 376 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.280 376 G C 0.141 175.004 174.900 -0.061 0.000 1.089 376 G CA -0.264 44.774 45.100 -0.104 0.000 0.939 376 G HN 0.160 nan 8.290 nan 0.000 0.499 377 R N -0.151 120.295 120.500 -0.090 0.000 2.477 377 R HA 0.291 4.631 4.340 -0.001 0.000 0.285 377 R C -1.818 174.460 176.300 -0.036 0.000 1.415 377 R CA -1.837 54.235 56.100 -0.046 0.000 1.446 377 R CB 1.545 31.811 30.300 -0.057 0.000 1.110 377 R HN 0.224 nan 8.270 nan 0.000 0.590 378 P HA -0.073 nan 4.420 nan 0.000 0.237 378 P C 0.278 177.583 177.300 0.009 0.000 1.178 378 P CA 0.761 63.852 63.100 -0.014 0.000 0.766 378 P CB 0.355 32.043 31.700 -0.020 0.000 0.876 379 D N -1.052 119.357 120.400 0.015 0.000 2.340 379 D HA 0.022 4.661 4.640 -0.001 0.000 0.220 379 D C 0.756 177.137 176.300 0.135 0.000 1.039 379 D CA 0.238 54.288 54.000 0.083 0.000 0.866 379 D CB -0.196 40.627 40.800 0.038 0.000 0.913 379 D HN 0.212 nan 8.370 nan 0.000 0.523 380 L N -1.829 119.437 121.223 0.071 0.000 2.256 380 L HA 0.603 4.943 4.340 -0.001 0.000 0.261 380 L C 1.389 178.282 176.870 0.039 0.000 1.022 380 L CA -0.805 54.070 54.840 0.059 0.000 0.828 380 L CB 1.695 43.770 42.059 0.025 0.000 1.374 380 L HN 0.059 nan 8.230 nan 0.000 0.436 381 G N 0.312 109.137 108.800 0.041 0.000 2.162 381 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.260 381 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.260 381 G C -0.329 174.630 174.900 0.098 0.000 0.976 381 G CA 0.154 45.278 45.100 0.041 0.000 0.655 381 G HN 0.336 nan 8.290 nan 0.000 0.533 382 V N 0.808 120.787 119.914 0.108 0.000 2.733 382 V HA 0.489 4.609 4.120 -0.001 0.000 0.306 382 V C 0.248 176.403 176.094 0.101 0.000 1.084 382 V CA -0.872 61.508 62.300 0.133 0.000 0.905 382 V CB 1.991 33.878 31.823 0.107 0.000 1.010 382 V HN 0.257 nan 8.190 nan 0.000 0.424 383 L N 4.820 126.099 121.223 0.093 0.000 2.334 383 L HA 0.625 4.965 4.340 -0.001 0.000 0.286 383 L C 0.109 177.003 176.870 0.040 0.000 1.108 383 L CA 0.402 55.275 54.840 0.055 0.000 0.875 383 L CB 0.235 42.318 42.059 0.040 0.000 1.246 383 L HN 0.799 nan 8.230 nan 0.000 0.439 384 E N 2.653 122.878 120.200 0.041 0.000 2.390 384 E HA 0.136 4.485 4.350 -0.001 0.000 0.280 384 E C -1.096 175.526 176.600 0.038 0.000 0.992 384 E CA -0.815 55.607 56.400 0.036 0.000 0.790 384 E CB 1.758 31.485 29.700 0.044 0.000 1.248 384 E HN 0.463 nan 8.360 nan 0.000 0.447 385 E N 1.483 121.702 120.200 0.031 0.000 2.608 385 E HA 0.062 4.412 4.350 -0.001 0.000 0.259 385 E C 0.655 177.288 176.600 0.056 0.000 0.951 385 E CA 1.796 58.216 56.400 0.033 0.000 0.945 385 E CB 0.019 29.735 29.700 0.027 0.000 0.916 385 E HN 0.814 nan 8.360 nan 0.000 0.477 386 G N 4.311 113.155 108.800 0.073 0.000 2.234 386 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.235 386 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.235 386 G C 0.250 175.284 174.900 0.223 0.000 0.997 386 G CA 0.137 45.318 45.100 0.135 0.000 0.623 386 G HN 0.529 nan 8.290 nan 0.000 0.514 387 R N 0.889 121.483 120.500 0.158 0.000 2.546 387 R HA 0.710 5.050 4.340 -0.001 0.000 0.266 387 R C 0.827 177.208 176.300 0.135 0.000 1.086 387 R CA 0.111 56.332 56.100 0.203 0.000 1.160 387 R CB 0.167 30.538 30.300 0.118 0.000 1.138 387 R HN 0.747 nan 8.270 nan 0.000 0.567 388 A N 0.756 123.681 122.820 0.176 0.000 2.498 388 A HA 0.313 4.632 4.320 -0.001 0.000 0.239 388 A C 0.412 177.941 177.584 -0.092 0.000 1.068 388 A CA 0.280 52.265 52.037 -0.086 0.000 0.766 388 A CB 0.065 19.124 19.000 0.097 0.000 1.003 388 A HN 0.737 nan 8.150 nan 0.000 0.497 389 A N 3.032 125.749 122.820 -0.172 0.000 3.048 389 A HA 0.423 4.743 4.320 -0.001 0.000 0.264 389 A C -0.632 176.915 177.584 -0.062 0.000 1.796 389 A CA -0.251 51.724 52.037 -0.103 0.000 1.445 389 A CB -0.739 18.186 19.000 -0.124 0.000 1.074 389 A HN 0.625 nan 8.150 nan 0.000 0.621 390 D N 1.146 121.531 120.400 -0.025 0.000 2.441 390 D HA 0.590 5.229 4.640 -0.001 0.000 0.231 390 D C -0.471 175.833 176.300 0.007 0.000 1.073 390 D CA 0.328 54.325 54.000 -0.004 0.000 0.850 390 D CB 1.026 41.838 40.800 0.020 0.000 1.062 390 D HN 0.402 nan 8.370 nan 0.000 0.524 391 I N 1.120 121.683 120.570 -0.011 0.000 2.619 391 I HA 0.660 4.830 4.170 -0.001 0.000 0.292 391 I C -0.595 175.493 176.117 -0.048 0.000 1.100 391 I CA -1.083 60.212 61.300 -0.007 0.000 1.043 391 I CB 2.203 40.192 38.000 -0.019 0.000 1.239 391 I HN 0.269 nan 8.210 nan 0.000 0.420 392 A N 4.944 127.740 122.820 -0.039 0.000 2.343 392 A HA 0.819 5.139 4.320 -0.001 0.000 0.316 392 A C -1.067 176.377 177.584 -0.233 0.000 1.104 392 A CA -0.402 51.497 52.037 -0.229 0.000 0.768 392 A CB 1.198 20.054 19.000 -0.241 0.000 1.213 392 A HN 0.779 nan 8.150 nan 0.000 0.456 393 C N 2.065 121.116 119.300 -0.416 0.000 2.563 393 C HA 0.748 5.207 4.460 -0.001 0.000 0.314 393 C C -0.542 174.240 174.990 -0.348 0.000 1.199 393 C CA -0.858 58.053 59.018 -0.179 0.000 1.564 393 C CB 0.566 28.253 27.740 -0.090 0.000 2.173 393 C HN 0.815 nan 8.230 nan 0.000 0.485 394 W N 1.463 122.763 121.300 0.000 0.000 2.761 394 W HA 0.485 5.145 4.660 -0.000 0.000 0.340 394 W C -0.031 176.485 176.519 -0.004 0.000 1.072 394 W CA -0.724 56.620 57.345 -0.001 0.000 1.215 394 W CB 1.168 30.628 29.460 0.001 0.000 1.420 394 W HN 0.536 nan 8.180 nan 0.000 0.519 395 R N 2.209 122.822 120.500 0.189 0.000 2.543 395 R HA 0.202 4.542 4.340 -0.001 0.000 0.277 395 R C 0.748 177.116 176.300 0.114 0.000 1.074 395 R CA -0.139 56.028 56.100 0.112 0.000 1.076 395 R CB 0.981 31.321 30.300 0.066 0.000 0.993 395 R HN 0.473 nan 8.270 nan 0.000 0.459 396 L N 1.599 122.865 121.223 0.072 0.000 2.640 396 L HA 0.044 4.384 4.340 -0.001 0.000 0.230 396 L C 0.532 177.416 176.870 0.023 0.000 1.123 396 L CA 0.225 55.092 54.840 0.045 0.000 0.900 396 L CB 0.043 42.121 42.059 0.031 0.000 1.146 396 L HN 0.621 nan 8.230 nan 0.000 0.484 397 D N -0.585 119.829 120.400 0.024 0.000 2.463 397 D HA 0.121 4.761 4.640 -0.001 0.000 0.224 397 D C 0.820 177.127 176.300 0.012 0.000 1.174 397 D CA -0.168 53.839 54.000 0.011 0.000 0.829 397 D CB 0.015 40.821 40.800 0.008 0.000 0.993 397 D HN 0.019 nan 8.370 nan 0.000 0.497 398 G N -0.324 108.487 108.800 0.019 0.000 2.537 398 G HA2 0.265 4.224 3.960 -0.001 0.000 0.273 398 G HA3 0.265 4.224 3.960 -0.001 0.000 0.273 398 G C 0.855 175.761 174.900 0.010 0.000 1.189 398 G CA -0.580 44.531 45.100 0.017 0.000 0.881 398 G HN 0.078 nan 8.290 nan 0.000 0.535 399 V N 0.392 120.311 119.914 0.009 0.000 2.594 399 V HA -0.099 4.021 4.120 -0.001 0.000 0.253 399 V C 2.233 178.329 176.094 0.004 0.000 1.069 399 V CA 2.523 64.826 62.300 0.004 0.000 1.082 399 V CB -0.436 31.390 31.823 0.005 0.000 0.680 399 V HN 0.836 nan 8.190 nan 0.000 0.469 400 D N -0.603 119.802 120.400 0.008 0.000 2.363 400 D HA -0.114 4.526 4.640 -0.001 0.000 0.226 400 D C 1.690 177.992 176.300 0.003 0.000 1.020 400 D CA 0.536 54.540 54.000 0.007 0.000 0.892 400 D CB -0.309 40.497 40.800 0.011 0.000 0.900 400 D HN 0.490 nan 8.370 nan 0.000 0.531 401 R N 0.156 120.656 120.500 0.001 0.000 2.565 401 R HA 0.238 4.578 4.340 -0.001 0.000 0.347 401 R C -0.103 176.185 176.300 -0.019 0.000 1.010 401 R CA -0.330 55.766 56.100 -0.007 0.000 1.126 401 R CB 1.442 31.741 30.300 -0.001 0.000 1.331 401 R HN -0.008 nan 8.270 nan 0.000 0.552 402 V N 0.953 120.856 119.914 -0.018 0.000 2.673 402 V HA 0.121 4.240 4.120 -0.001 0.000 0.303 402 V C 1.447 177.515 176.094 -0.042 0.000 1.046 402 V CA 1.598 63.880 62.300 -0.031 0.000 1.126 402 V CB 1.057 32.869 31.823 -0.019 0.000 0.934 402 V HN 0.771 nan 8.190 nan 0.000 0.487 403 G N 3.521 112.270 108.800 -0.085 0.000 2.176 403 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.253 403 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.253 403 G C 0.096 174.896 174.900 -0.167 0.000 0.979 403 G CA -0.014 45.018 45.100 -0.113 0.000 0.641 403 G HN 0.760 nan 8.290 nan 0.000 0.530 404 V N 2.176 122.010 119.914 -0.134 0.000 2.521 404 V HA 0.270 4.390 4.120 -0.001 0.000 0.286 404 V C 1.573 177.557 176.094 -0.183 0.000 1.034 404 V CA 0.053 62.304 62.300 -0.082 0.000 1.045 404 V CB 1.083 32.882 31.823 -0.039 0.000 0.974 404 V HN 0.397 nan 8.190 nan 0.000 0.480 405 H N 1.996 121.067 119.070 0.000 0.000 2.451 405 H HA 0.132 4.687 4.556 -0.001 0.000 0.294 405 H C 0.310 175.637 175.328 -0.002 0.000 1.028 405 H CA 0.403 56.452 56.048 0.000 0.000 1.349 405 H CB 0.805 30.568 29.762 0.002 0.000 1.444 405 H HN 0.585 nan 8.280 nan 0.000 0.538 406 D N 0.441 120.903 120.400 0.103 0.000 2.471 406 D HA 0.137 4.777 4.640 -0.001 0.000 0.245 406 D C -2.082 174.230 176.300 0.019 0.000 1.116 406 D CA -2.160 51.870 54.000 0.050 0.000 0.853 406 D CB 2.277 43.105 40.800 0.047 0.000 1.123 406 D HN -0.054 nan 8.370 nan 0.000 0.540 407 P HA -0.027 nan 4.420 nan 0.000 0.218 407 P C 1.024 178.310 177.300 -0.023 0.000 1.149 407 P CA 0.921 64.016 63.100 -0.009 0.000 0.817 407 P CB 0.346 32.043 31.700 -0.004 0.000 0.785 408 A N -0.362 122.445 122.820 -0.021 0.000 1.873 408 A HA -0.157 4.162 4.320 -0.001 0.000 0.215 408 A C 2.195 179.760 177.584 -0.031 0.000 1.186 408 A CA 1.381 53.399 52.037 -0.030 0.000 0.616 408 A CB -1.554 17.433 19.000 -0.022 0.000 0.823 408 A HN 0.100 nan 8.150 nan 0.000 0.442 409 I N -0.182 120.382 120.570 -0.010 0.000 2.226 409 I HA -0.194 3.975 4.170 -0.001 0.000 0.245 409 I C 2.681 178.784 176.117 -0.023 0.000 1.100 409 I CA 1.056 62.353 61.300 -0.004 0.000 1.374 409 I CB -0.679 37.333 38.000 0.020 0.000 1.057 409 I HN 0.399 nan 8.210 nan 0.000 0.413 410 G N 1.099 109.886 108.800 -0.022 0.000 2.450 410 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.220 410 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.220 410 G C 1.636 176.492 174.900 -0.074 0.000 1.130 410 G CA 0.502 45.582 45.100 -0.032 0.000 0.760 410 G HN 0.236 nan 8.290 nan 0.000 0.557 411 L N 0.482 121.635 121.223 -0.116 0.000 2.131 411 L HA 0.052 4.392 4.340 -0.001 0.000 0.210 411 L C 2.372 179.112 176.870 -0.217 0.000 1.092 411 L CA 1.165 55.873 54.840 -0.221 0.000 0.759 411 L CB -0.120 41.753 42.059 -0.311 0.000 0.903 411 L HN 0.122 nan 8.230 nan 0.000 0.435 412 I N -1.579 118.905 120.570 -0.144 0.000 2.585 412 I HA -0.047 4.122 4.170 -0.001 0.000 0.254 412 I C 1.754 177.825 176.117 -0.077 0.000 1.129 412 I CA 0.790 62.019 61.300 -0.118 0.000 1.455 412 I CB -0.669 37.282 38.000 -0.082 0.000 1.111 412 I HN 0.254 nan 8.210 nan 0.000 0.433 413 M N 0.134 119.702 119.600 -0.053 0.000 2.337 413 M HA 0.146 4.626 4.480 -0.001 0.000 0.256 413 M C 0.735 177.022 176.300 -0.023 0.000 1.075 413 M CA 0.323 55.606 55.300 -0.028 0.000 1.024 413 M CB -0.330 32.267 32.600 -0.006 0.000 1.429 413 M HN 0.263 nan 8.290 nan 0.000 0.497 414 T N -1.927 112.607 114.554 -0.034 0.000 2.887 414 T HA 0.827 5.176 4.350 -0.001 0.000 0.292 414 T C 0.096 174.778 174.700 -0.029 0.000 1.087 414 T CA -0.213 61.873 62.100 -0.023 0.000 1.009 414 T CB 2.752 71.611 68.868 -0.015 0.000 1.203 414 T HN 0.408 nan 8.240 nan 0.000 0.518 415 G N -0.235 108.556 108.800 -0.013 0.000 2.525 415 G HA2 0.082 4.041 3.960 -0.001 0.000 0.685 415 G HA3 0.082 4.041 3.960 -0.001 0.000 0.685 415 G C -0.136 174.765 174.900 0.002 0.000 1.285 415 G CA -0.417 44.680 45.100 -0.005 0.000 0.849 415 G HN 0.957 nan 8.290 nan 0.000 0.653 416 L N 0.111 121.342 121.223 0.013 0.000 2.529 416 L HA 0.425 4.764 4.340 -0.001 0.000 0.223 416 L C 1.355 178.240 176.870 0.026 0.000 1.113 416 L CA 1.168 56.018 54.840 0.017 0.000 0.861 416 L CB 0.419 42.489 42.059 0.018 0.000 1.012 416 L HN 0.636 nan 8.230 nan 0.000 0.461 417 S N -1.184 114.539 115.700 0.038 0.000 2.543 417 S HA 0.265 4.735 4.470 -0.001 0.000 0.271 417 S C -0.569 174.087 174.600 0.093 0.000 1.148 417 S CA -0.700 57.537 58.200 0.062 0.000 0.914 417 S CB 1.406 64.648 63.200 0.070 0.000 1.096 417 S HN 0.052 nan 8.310 nan 0.000 0.471 418 D N 2.018 122.487 120.400 0.114 0.000 2.340 418 D HA 0.135 4.775 4.640 -0.001 0.000 0.217 418 D C 0.100 176.628 176.300 0.380 0.000 1.081 418 D CA -0.089 54.023 54.000 0.186 0.000 0.842 418 D CB 0.266 41.131 40.800 0.108 0.000 0.934 418 D HN 0.312 nan 8.370 nan 0.000 0.511 419 R N 1.337 121.985 120.500 0.247 0.000 2.484 419 R HA 0.274 4.614 4.340 -0.001 0.000 0.293 419 R C 0.295 176.656 176.300 0.102 0.000 1.023 419 R CA -0.040 56.157 56.100 0.163 0.000 1.037 419 R CB 0.394 30.740 30.300 0.077 0.000 0.951 419 R HN -0.008 nan 8.270 nan 0.000 0.418 420 A N 2.099 124.811 122.820 -0.181 0.000 2.371 420 A HA 0.112 4.431 4.320 -0.001 0.000 0.257 420 A C 1.336 178.684 177.584 -0.393 0.000 1.089 420 A CA -0.034 51.544 52.037 -0.764 0.000 0.794 420 A CB 0.867 19.295 19.000 -0.953 0.000 1.029 420 A HN 0.776 nan 8.150 nan 0.000 0.488 421 S N 0.353 115.822 115.700 -0.385 0.000 2.371 421 S HA 0.110 4.580 4.470 -0.001 0.000 0.221 421 S C 0.405 174.893 174.600 -0.186 0.000 1.036 421 S CA 1.013 59.098 58.200 -0.192 0.000 0.965 421 S CB -0.340 62.791 63.200 -0.114 0.000 0.845 421 S HN 0.898 nan 8.310 nan 0.000 0.475 422 L N 1.947 123.029 121.223 -0.236 0.000 2.409 422 L HA 0.710 5.049 4.340 -0.001 0.000 0.272 422 L C -1.715 175.024 176.870 -0.218 0.000 0.980 422 L CA -0.456 54.279 54.840 -0.176 0.000 0.826 422 L CB 2.079 44.064 42.059 -0.123 0.000 1.268 422 L HN 0.013 nan 8.230 nan 0.000 0.407 423 V N 5.389 125.203 119.914 -0.167 0.000 2.577 423 V HA 0.651 4.771 4.120 -0.001 0.000 0.303 423 V C -0.812 175.224 176.094 -0.095 0.000 1.042 423 V CA -0.664 61.544 62.300 -0.153 0.000 0.872 423 V CB 2.084 33.814 31.823 -0.154 0.000 0.998 423 V HN 0.508 nan 8.190 nan 0.000 0.423 424 V N 5.077 124.945 119.914 -0.078 0.000 2.487 424 V HA 0.634 4.754 4.120 -0.001 0.000 0.298 424 V C -0.516 175.553 176.094 -0.043 0.000 1.028 424 V CA -0.626 61.640 62.300 -0.057 0.000 0.860 424 V CB 2.071 33.861 31.823 -0.055 0.000 0.991 424 V HN 0.602 nan 8.190 nan 0.000 0.427 425 V N 3.885 123.779 119.914 -0.034 0.000 2.531 425 V HA 0.498 4.618 4.120 -0.001 0.000 0.301 425 V C 0.482 176.560 176.094 -0.026 0.000 1.034 425 V CA -0.716 61.573 62.300 -0.019 0.000 0.865 425 V CB 1.361 33.184 31.823 -0.002 0.000 0.995 425 V HN 0.978 nan 8.190 nan 0.000 0.424 426 N N 3.463 122.143 118.700 -0.035 0.000 2.725 426 N HA -0.206 4.534 4.740 -0.001 0.000 0.249 426 N C 1.096 176.555 175.510 -0.086 0.000 1.103 426 N CA 1.915 54.928 53.050 -0.061 0.000 0.707 426 N CB -0.972 37.505 38.487 -0.016 0.000 1.043 426 N HN 1.680 nan 8.380 nan 0.000 0.553 427 G N -1.401 107.346 108.800 -0.089 0.000 2.184 427 G HA2 -0.375 3.584 3.960 -0.001 0.000 0.264 427 G HA3 -0.375 3.584 3.960 -0.001 0.000 0.264 427 G C -0.146 174.719 174.900 -0.058 0.000 0.975 427 G CA 0.627 45.677 45.100 -0.084 0.000 0.642 427 G HN 0.749 nan 8.290 nan 0.000 0.536 428 Q N 0.468 120.239 119.800 -0.047 0.000 2.314 428 Q HA 0.559 4.899 4.340 -0.001 0.000 0.259 428 Q C 0.162 176.139 176.000 -0.039 0.000 0.951 428 Q CA -0.732 55.049 55.803 -0.037 0.000 0.909 428 Q CB 1.489 30.210 28.738 -0.028 0.000 1.236 428 Q HN 0.188 nan 8.270 nan 0.000 0.444 429 V N 6.891 126.782 119.914 -0.039 0.000 2.446 429 V HA -0.006 4.113 4.120 -0.001 0.000 0.276 429 V C 0.857 176.926 176.094 -0.041 0.000 1.030 429 V CA 0.556 62.830 62.300 -0.044 0.000 1.033 429 V CB 0.470 32.267 31.823 -0.042 0.000 0.993 429 V HN 0.890 nan 8.190 nan 0.000 0.477 430 L N 4.941 126.136 121.223 -0.046 0.000 2.642 430 L HA 0.330 4.669 4.340 -0.001 0.000 0.233 430 L C -0.055 176.786 176.870 -0.049 0.000 1.077 430 L CA 0.379 55.194 54.840 -0.042 0.000 0.879 430 L CB 0.843 42.880 42.059 -0.036 0.000 1.151 430 L HN 0.439 nan 8.230 nan 0.000 0.495 431 V N 0.057 119.932 119.914 -0.065 0.000 2.686 431 V HA 0.418 4.538 4.120 -0.001 0.000 0.306 431 V C -1.026 175.021 176.094 -0.079 0.000 1.065 431 V CA -0.614 61.642 62.300 -0.073 0.000 0.894 431 V CB 2.589 34.354 31.823 -0.097 0.000 1.004 431 V HN 0.087 nan 8.190 nan 0.000 0.424 432 E N 2.748 122.909 120.200 -0.065 0.000 2.331 432 E HA 0.478 4.827 4.350 -0.001 0.000 0.275 432 E C -0.298 176.270 176.600 -0.052 0.000 0.895 432 E CA -0.614 55.749 56.400 -0.062 0.000 0.753 432 E CB 1.478 31.149 29.700 -0.048 0.000 1.216 432 E HN 0.762 nan 8.360 nan 0.000 0.434 433 N N 3.304 121.973 118.700 -0.052 0.000 2.735 433 N HA -0.234 4.505 4.740 -0.001 0.000 0.248 433 N C -0.738 174.749 175.510 -0.038 0.000 1.083 433 N CA 1.094 54.121 53.050 -0.039 0.000 0.703 433 N CB -0.797 37.674 38.487 -0.027 0.000 1.005 433 N HN 0.789 nan 8.380 nan 0.000 0.550 434 E N -2.915 117.251 120.200 -0.056 0.000 3.370 434 E HA -0.306 4.043 4.350 -0.001 0.000 0.291 434 E C -0.285 176.292 176.600 -0.038 0.000 0.916 434 E CA 1.006 57.375 56.400 -0.051 0.000 0.981 434 E CB -0.611 29.073 29.700 -0.027 0.000 1.498 434 E HN 0.553 nan 8.360 nan 0.000 0.452 435 R N 0.089 120.566 120.500 -0.039 0.000 2.670 435 R HA 0.387 4.727 4.340 -0.001 0.000 0.289 435 R C -2.707 173.573 176.300 -0.033 0.000 0.965 435 R CA -2.159 53.923 56.100 -0.029 0.000 0.899 435 R CB 1.442 31.729 30.300 -0.022 0.000 1.173 435 R HN -0.188 nan 8.270 nan 0.000 0.456 436 P HA -0.031 nan 4.420 nan 0.000 0.268 436 P C 0.359 177.643 177.300 -0.026 0.000 1.204 436 P CA -0.047 63.036 63.100 -0.028 0.000 0.768 436 P CB 0.786 32.473 31.700 -0.021 0.000 0.842 437 V N 3.182 123.079 119.914 -0.029 0.000 2.535 437 V HA -0.100 4.020 4.120 -0.001 0.000 0.246 437 V C 1.802 177.884 176.094 -0.021 0.000 1.045 437 V CA 1.735 64.020 62.300 -0.026 0.000 1.058 437 V CB -0.730 31.075 31.823 -0.029 0.000 0.689 437 V HN 0.513 nan 8.190 nan 0.000 0.461 438 L N -0.846 120.365 121.223 -0.020 0.000 2.547 438 L HA 0.471 4.810 4.340 -0.001 0.000 0.218 438 L C 1.312 178.173 176.870 -0.015 0.000 1.048 438 L CA 0.336 55.166 54.840 -0.017 0.000 0.859 438 L CB -0.177 41.872 42.059 -0.017 0.000 1.128 438 L HN 0.177 nan 8.230 nan 0.000 0.483 439 A N 0.507 123.317 122.820 -0.017 0.000 2.425 439 A HA 0.087 4.407 4.320 -0.001 0.000 0.249 439 A C -0.374 177.203 177.584 -0.013 0.000 1.084 439 A CA -0.063 51.965 52.037 -0.015 0.000 0.781 439 A CB 0.101 19.091 19.000 -0.016 0.000 1.019 439 A HN 0.155 nan 8.150 nan 0.000 0.490 440 D N 2.691 123.084 120.400 -0.011 0.000 2.468 440 D HA 0.140 4.779 4.640 -0.001 0.000 0.218 440 D C 1.005 177.301 176.300 -0.007 0.000 1.155 440 D CA -0.181 53.814 54.000 -0.009 0.000 0.924 440 D CB 0.391 41.187 40.800 -0.007 0.000 1.029 440 D HN 0.503 nan 8.370 nan 0.000 0.515 441 L N 3.571 124.790 121.223 -0.007 0.000 2.012 441 L HA -0.215 4.124 4.340 -0.001 0.000 0.210 441 L C 1.641 178.510 176.870 -0.003 0.000 1.073 441 L CA 1.612 56.449 54.840 -0.005 0.000 0.748 441 L CB 0.177 42.233 42.059 -0.005 0.000 0.891 441 L HN 0.254 nan 8.230 nan 0.000 0.431 442 E N -0.526 119.672 120.200 -0.003 0.000 2.110 442 E HA -0.250 4.100 4.350 -0.001 0.000 0.193 442 E C 2.153 178.752 176.600 -0.002 0.000 0.988 442 E CA 1.128 57.527 56.400 -0.002 0.000 0.804 442 E CB -0.179 29.519 29.700 -0.002 0.000 0.745 442 E HN 0.274 nan 8.360 nan 0.000 0.458 443 R N 0.762 121.261 120.500 -0.003 0.000 2.075 443 R HA 0.004 4.344 4.340 -0.001 0.000 0.232 443 R C 1.964 178.263 176.300 -0.002 0.000 1.126 443 R CA 1.161 57.259 56.100 -0.003 0.000 0.963 443 R CB -0.490 29.808 30.300 -0.004 0.000 0.858 443 R HN 0.203 nan 8.270 nan 0.000 0.435 444 I N -0.320 120.248 120.570 -0.003 0.000 2.226 444 I HA -0.266 3.903 4.170 -0.001 0.000 0.245 444 I C 2.009 178.127 176.117 0.001 0.000 1.100 444 I CA 1.132 62.431 61.300 -0.002 0.000 1.374 444 I CB -0.232 37.766 38.000 -0.003 0.000 1.057 444 I HN -0.001 nan 8.210 nan 0.000 0.413 445 V N 1.044 120.959 119.914 0.002 0.000 2.287 445 V HA -0.327 3.793 4.120 -0.001 0.000 0.248 445 V C 2.710 178.805 176.094 0.002 0.000 1.053 445 V CA 2.119 64.421 62.300 0.003 0.000 1.027 445 V CB -1.058 30.767 31.823 0.004 0.000 0.646 445 V HN 0.509 nan 8.190 nan 0.000 0.447 446 A N 0.337 123.157 122.820 -0.000 0.000 1.877 446 A HA -0.229 4.091 4.320 -0.001 0.000 0.216 446 A C 2.072 179.655 177.584 -0.002 0.000 1.186 446 A CA 2.108 54.144 52.037 -0.002 0.000 0.620 446 A CB -0.690 18.308 19.000 -0.002 0.000 0.822 446 A HN 0.591 nan 8.150 nan 0.000 0.443 447 N N -0.278 118.421 118.700 -0.001 0.000 2.120 447 N HA -0.094 4.646 4.740 -0.001 0.000 0.188 447 N C 1.748 177.259 175.510 0.002 0.000 1.024 447 N CA 1.986 55.036 53.050 -0.000 0.000 0.852 447 N CB -0.855 37.632 38.487 0.000 0.000 1.003 447 N HN 0.498 nan 8.380 nan 0.000 0.424 448 T N 0.240 114.796 114.554 0.004 0.000 2.812 448 T HA -0.050 4.300 4.350 -0.001 0.000 0.264 448 T C 1.889 176.591 174.700 0.004 0.000 1.042 448 T CA 1.381 63.486 62.100 0.009 0.000 1.140 448 T CB -0.531 68.346 68.868 0.014 0.000 0.870 448 T HN 0.265 nan 8.240 nan 0.000 0.445 449 T N 2.248 116.801 114.554 -0.001 0.000 2.699 449 T HA -0.104 4.246 4.350 -0.001 0.000 0.268 449 T C 2.342 177.031 174.700 -0.017 0.000 1.036 449 T CA 1.231 63.326 62.100 -0.008 0.000 1.147 449 T CB -0.543 68.321 68.868 -0.006 0.000 0.862 449 T HN 0.441 nan 8.240 nan 0.000 0.446 450 A N 0.699 123.511 122.820 -0.013 0.000 2.070 450 A HA 0.077 4.397 4.320 -0.001 0.000 0.220 450 A C 2.048 179.618 177.584 -0.023 0.000 1.159 450 A CA 1.058 53.085 52.037 -0.017 0.000 0.656 450 A CB -0.550 18.444 19.000 -0.010 0.000 0.800 450 A HN 0.533 nan 8.150 nan 0.000 0.453 451 L N 0.032 121.245 121.223 -0.017 0.000 2.640 451 L HA 0.194 4.534 4.340 -0.001 0.000 0.230 451 L C -0.221 176.627 176.870 -0.036 0.000 1.123 451 L CA -0.512 54.320 54.840 -0.012 0.000 0.900 451 L CB 0.059 42.127 42.059 0.015 0.000 1.146 451 L HN 0.178 nan 8.230 nan 0.000 0.484 452 I N 1.916 122.449 120.570 -0.062 0.000 2.587 452 I HA 0.110 4.280 4.170 -0.001 0.000 0.284 452 I C -1.478 174.479 176.117 -0.268 0.000 1.134 452 I CA -1.476 59.746 61.300 -0.130 0.000 1.410 452 I CB -0.330 37.612 38.000 -0.097 0.000 1.392 452 I HN -0.085 nan 8.210 nan 0.000 0.545 453 P HA 0.000 nan 4.420 nan 0.000 0.216 453 P CA 0.000 62.633 63.100 -0.779 0.000 0.800 453 P CB 0.000 30.588 31.700 -1.853 0.000 0.726