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 2xnd_1_B DATA FIRST_RESID 19 DATA SEQUENCE ADTSVDLEET GRVLSIGDGI ARVHGLRNVQ AEEMVEFSSG LKGMSLNLEP DATA SEQUENCE DNVGVVVFGN DKLIKEGDIV KRTGAIVDVP VGEELLGRVV DALGNAIDGK DATA SEQUENCE GPIGSKARRR VGLKAPGIIP RISVREPMQT GIKAVDSLVP IGRGQRELII DATA SEQUENCE GDRQTGKTSI AIDTIINQKR FNDGTDEKKK LYCIYVAIGQ KRSTVAQLVK DATA SEQUENCE RLTDADAMKY TIVVSATASD AAPLQYLAPY SGCSMGEYFR DNGKHALIIY DATA SEQUENCE DDLSKQAVAY RQMSLLLRRP PGREAYPGDV FYLHSRLLER AAKMNDAFGG DATA SEQUENCE GSLTALPVIE TQAGDVSAYI PTNVISITDG QIFLETELFY KGIRPAINVG DATA SEQUENCE LSVSRVGSAA QTRAMKQVAG TMKLELAQYR EVAAFAQFGS DLDAATQQLL DATA SEQUENCE SRGVRLTELL KQGQYSPMAI EEQVAVIYAG VRGYLDKLEP SKITKFENAF DATA SEQUENCE LSHVISQHQA LLGKIRTDGK ISEESDAKLK EIVTNFLAGF EA 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 19 A HA 0.000 nan 4.320 nan 0.000 0.244 19 A C 0.000 177.588 177.584 0.006 0.000 1.274 19 A CA 0.000 52.040 52.037 0.005 0.000 0.836 19 A CB 0.000 19.004 19.000 0.006 0.000 0.831 20 D N -0.312 120.091 120.400 0.005 0.000 2.481 20 D HA 0.677 5.318 4.640 0.001 0.000 0.244 20 D C -0.055 176.247 176.300 0.004 0.000 1.057 20 D CA 0.440 54.444 54.000 0.006 0.000 0.848 20 D CB 1.869 42.673 40.800 0.007 0.000 1.388 20 D HN 0.045 nan 8.370 nan 0.000 0.475 21 T N -1.209 113.348 114.554 0.005 0.000 3.567 21 T HA 0.184 4.535 4.350 0.001 0.000 0.314 21 T C 0.461 175.163 174.700 0.004 0.000 0.942 21 T CA -0.277 61.825 62.100 0.004 0.000 0.997 21 T CB 0.057 68.927 68.868 0.003 0.000 1.205 21 T HN 0.361 nan 8.240 nan 0.000 0.518 22 S N -0.002 115.701 115.700 0.005 0.000 3.894 22 S HA 0.553 5.024 4.470 0.001 0.000 0.189 22 S C -0.041 174.562 174.600 0.006 0.000 1.096 22 S CA -0.363 57.840 58.200 0.006 0.000 1.481 22 S CB 0.067 63.271 63.200 0.007 0.000 1.321 22 S HN 0.052 nan 8.310 nan 0.000 0.828 23 V N 3.316 123.236 119.914 0.009 0.000 2.555 23 V HA 0.398 4.518 4.120 0.001 0.000 0.286 23 V C -0.223 175.876 176.094 0.008 0.000 1.044 23 V CA -0.096 62.210 62.300 0.009 0.000 1.026 23 V CB 0.596 32.428 31.823 0.015 0.000 0.981 23 V HN 0.640 nan 8.190 nan 0.000 0.480 24 D N 2.699 123.101 120.400 0.002 0.000 2.253 24 D HA 0.420 5.060 4.640 0.001 0.000 0.249 24 D C 0.456 176.751 176.300 -0.008 0.000 1.049 24 D CA -0.250 53.748 54.000 -0.004 0.000 0.929 24 D CB 1.701 42.496 40.800 -0.008 0.000 1.176 24 D HN 0.393 nan 8.370 nan 0.000 0.437 25 L N 1.763 122.975 121.223 -0.018 0.000 2.693 25 L HA 0.222 4.563 4.340 0.001 0.000 0.235 25 L C 1.638 178.477 176.870 -0.052 0.000 1.127 25 L CA 0.036 54.852 54.840 -0.039 0.000 0.914 25 L CB 0.322 42.348 42.059 -0.054 0.000 1.193 25 L HN 0.420 nan 8.230 nan 0.000 0.502 26 E N 0.239 120.417 120.200 -0.037 0.000 2.190 26 E HA -0.054 4.296 4.350 0.001 0.000 0.191 26 E C 0.978 177.558 176.600 -0.034 0.000 0.978 26 E CA 0.661 57.040 56.400 -0.036 0.000 0.839 26 E CB 0.512 30.197 29.700 -0.026 0.000 0.787 26 E HN 0.347 nan 8.360 nan 0.000 0.473 27 E N 0.079 120.261 120.200 -0.031 0.000 2.562 27 E HA 0.118 4.468 4.350 0.001 0.000 0.214 27 E C -0.117 176.459 176.600 -0.039 0.000 0.979 27 E CA 0.296 56.677 56.400 -0.032 0.000 1.002 27 E CB 1.498 31.184 29.700 -0.023 0.000 1.048 27 E HN 0.007 nan 8.360 nan 0.000 0.488 28 T N -0.165 114.365 114.554 -0.040 0.000 2.907 28 T HA 0.683 5.034 4.350 0.001 0.000 0.292 28 T C 0.185 174.858 174.700 -0.045 0.000 1.043 28 T CA -0.685 61.391 62.100 -0.041 0.000 1.003 28 T CB 2.348 71.203 68.868 -0.022 0.000 1.084 28 T HN 0.068 nan 8.240 nan 0.000 0.483 29 G N -0.251 108.519 108.800 -0.050 0.000 3.108 29 G HA2 0.629 4.589 3.960 0.001 0.000 0.268 29 G HA3 0.629 4.589 3.960 0.001 0.000 0.268 29 G C 0.032 174.944 174.900 0.021 0.000 1.361 29 G CA -0.703 44.379 45.100 -0.030 0.000 1.047 29 G HN 0.678 nan 8.290 nan 0.000 0.540 30 R N -2.349 118.194 120.500 0.071 0.000 2.646 30 R HA 0.361 4.701 4.340 0.001 0.000 0.226 30 R C -0.564 175.789 176.300 0.087 0.000 0.928 30 R CA 0.312 56.467 56.100 0.090 0.000 1.010 30 R CB 0.798 31.180 30.300 0.137 0.000 1.516 30 R HN 0.680 nan 8.270 nan 0.000 0.621 31 V N 2.301 122.278 119.914 0.104 0.000 3.418 31 V HA -0.216 3.904 4.120 0.001 0.000 0.479 31 V C 0.590 176.731 176.094 0.077 0.000 0.682 31 V CA 0.503 62.870 62.300 0.112 0.000 2.011 31 V CB -0.868 31.048 31.823 0.154 0.000 2.457 31 V HN 0.316 nan 8.190 nan 0.000 0.501 32 L N 2.838 124.104 121.223 0.071 0.000 2.249 32 L HA 0.201 4.541 4.340 0.001 0.000 0.207 32 L C 0.958 177.843 176.870 0.025 0.000 1.090 32 L CA 1.630 56.491 54.840 0.035 0.000 0.802 32 L CB 0.396 42.480 42.059 0.042 0.000 0.947 32 L HN 0.986 nan 8.230 nan 0.000 0.453 33 S N -1.064 114.657 115.700 0.036 0.000 2.543 33 S HA 0.611 5.082 4.470 0.001 0.000 0.274 33 S C -1.089 173.526 174.600 0.024 0.000 1.149 33 S CA -0.788 57.425 58.200 0.022 0.000 0.866 33 S CB 2.452 65.659 63.200 0.011 0.000 1.111 33 S HN -0.031 nan 8.310 nan 0.000 0.457 34 I N 0.635 121.209 120.570 0.007 0.000 2.607 34 I HA 0.891 5.062 4.170 0.001 0.000 0.290 34 I C -0.215 175.887 176.117 -0.025 0.000 1.129 34 I CA 0.664 61.958 61.300 -0.010 0.000 1.042 34 I CB 1.490 39.479 38.000 -0.018 0.000 1.242 34 I HN 1.515 nan 8.210 nan 0.000 0.421 35 G N 4.478 113.256 108.800 -0.036 0.000 2.350 35 G HA2 0.313 4.274 3.960 0.001 0.000 0.304 35 G HA3 0.313 4.274 3.960 0.001 0.000 0.304 35 G C -0.870 174.004 174.900 -0.044 0.000 1.421 35 G CA -0.237 44.839 45.100 -0.039 0.000 0.934 35 G HN 0.701 nan 8.290 nan 0.000 0.632 36 D N -1.261 119.112 120.400 -0.045 0.000 3.039 36 D HA -0.166 4.475 4.640 0.001 0.000 0.222 36 D C 1.831 178.092 176.300 -0.065 0.000 1.179 36 D CA 3.588 57.557 54.000 -0.052 0.000 0.880 36 D CB -1.223 39.548 40.800 -0.048 0.000 1.115 36 D HN 2.344 nan 8.370 nan 0.000 0.416 37 G N -1.391 107.367 108.800 -0.070 0.000 2.299 37 G HA2 -0.301 3.660 3.960 0.001 0.000 0.237 37 G HA3 -0.301 3.660 3.960 0.001 0.000 0.237 37 G C 0.255 175.099 174.900 -0.094 0.000 1.027 37 G CA 0.270 45.317 45.100 -0.088 0.000 0.619 37 G HN 0.425 nan 8.290 nan 0.000 0.513 38 I N 1.866 122.392 120.570 -0.073 0.000 2.428 38 I HA 0.682 4.853 4.170 0.001 0.000 0.296 38 I C 0.640 176.744 176.117 -0.021 0.000 0.985 38 I CA -0.515 60.753 61.300 -0.052 0.000 1.260 38 I CB 1.293 39.265 38.000 -0.047 0.000 1.389 38 I HN 0.495 nan 8.210 nan 0.000 0.484 39 A N 6.977 129.812 122.820 0.024 0.000 2.291 39 A HA 0.594 4.915 4.320 0.001 0.000 0.311 39 A C -0.151 177.486 177.584 0.089 0.000 1.224 39 A CA -0.790 51.294 52.037 0.079 0.000 0.821 39 A CB 0.678 19.788 19.000 0.183 0.000 1.172 39 A HN 0.562 nan 8.150 nan 0.000 0.494 40 R N 1.910 122.449 120.500 0.065 0.000 2.248 40 R HA 0.346 4.687 4.340 0.001 0.000 0.328 40 R C -0.630 175.718 176.300 0.080 0.000 1.067 40 R CA -0.112 56.023 56.100 0.059 0.000 0.924 40 R CB 0.563 30.889 30.300 0.043 0.000 1.013 40 R HN 0.447 nan 8.270 nan 0.000 0.454 41 V N 3.392 123.348 119.914 0.071 0.000 2.435 41 V HA 0.162 4.283 4.120 0.001 0.000 0.290 41 V C 0.057 176.197 176.094 0.078 0.000 1.030 41 V CA -0.931 61.410 62.300 0.069 0.000 0.881 41 V CB 1.443 33.277 31.823 0.018 0.000 0.983 41 V HN 0.661 nan 8.190 nan 0.000 0.445 42 H N 2.862 121.932 119.070 0.001 0.000 2.552 42 H HA 0.649 5.206 4.556 0.001 0.000 0.311 42 H C 0.516 175.838 175.328 -0.010 0.000 1.071 42 H CA 1.230 57.277 56.048 -0.002 0.000 1.307 42 H CB 0.770 30.533 29.762 0.002 0.000 1.416 42 H HN 1.047 nan 8.280 nan 0.000 0.464 43 G N 3.406 111.944 108.800 -0.437 0.000 2.826 43 G HA2 -0.230 3.731 3.960 0.001 0.000 0.233 43 G HA3 -0.230 3.731 3.960 0.001 0.000 0.233 43 G C 0.094 174.902 174.900 -0.152 0.000 1.296 43 G CA -0.370 44.548 45.100 -0.303 0.000 1.001 43 G HN 1.085 nan 8.290 nan 0.000 0.576 44 L N 0.032 121.195 121.223 -0.100 0.000 3.839 44 L HA -0.224 4.117 4.340 0.001 0.000 0.416 44 L C 2.268 179.101 176.870 -0.062 0.000 1.195 44 L CA 0.812 55.609 54.840 -0.072 0.000 0.946 44 L CB -0.791 41.228 42.059 -0.067 0.000 1.891 44 L HN 0.607 nan 8.230 nan 0.000 0.963 45 R N 0.371 120.831 120.500 -0.068 0.000 2.185 45 R HA -0.120 4.220 4.340 0.001 0.000 0.247 45 R C 1.063 177.341 176.300 -0.038 0.000 1.159 45 R CA 1.583 57.649 56.100 -0.056 0.000 0.988 45 R CB -0.350 29.917 30.300 -0.056 0.000 0.871 45 R HN 0.540 nan 8.270 nan 0.000 0.458 46 N N -0.296 118.384 118.700 -0.033 0.000 2.338 46 N HA 0.046 4.786 4.740 0.001 0.000 0.251 46 N C -0.329 175.169 175.510 -0.020 0.000 1.199 46 N CA -0.105 52.931 53.050 -0.023 0.000 0.879 46 N CB 0.815 39.290 38.487 -0.019 0.000 1.159 46 N HN -0.021 nan 8.380 nan 0.000 0.514 47 V N -1.766 118.134 119.914 -0.023 0.000 3.133 47 V HA 0.374 4.495 4.120 0.001 0.000 0.305 47 V C 0.400 176.490 176.094 -0.007 0.000 1.084 47 V CA -0.548 61.742 62.300 -0.016 0.000 1.089 47 V CB 0.989 32.799 31.823 -0.022 0.000 1.073 47 V HN 0.064 nan 8.190 nan 0.000 0.477 48 Q N 1.001 120.802 119.800 0.002 0.000 2.252 48 Q HA 0.753 5.093 4.340 0.001 0.000 0.256 48 Q C -0.198 175.812 176.000 0.016 0.000 1.020 48 Q CA -0.698 55.110 55.803 0.008 0.000 0.913 48 Q CB 1.778 30.523 28.738 0.011 0.000 1.286 48 Q HN 1.154 nan 8.270 nan 0.000 0.480 49 A N 1.026 123.858 122.820 0.020 0.000 2.454 49 A HA 0.201 4.521 4.320 0.001 0.000 0.260 49 A C -0.286 177.323 177.584 0.040 0.000 1.106 49 A CA 0.112 52.167 52.037 0.030 0.000 0.780 49 A CB -0.403 18.614 19.000 0.029 0.000 1.044 49 A HN 0.882 nan 8.150 nan 0.000 0.498 50 E N -0.118 120.115 120.200 0.055 0.000 2.868 50 E HA -0.205 4.145 4.350 0.001 0.000 0.278 50 E C 0.070 176.714 176.600 0.073 0.000 1.009 50 E CA 1.192 57.638 56.400 0.077 0.000 0.856 50 E CB -1.466 28.277 29.700 0.071 0.000 1.428 50 E HN 0.896 nan 8.360 nan 0.000 0.423 51 E N 0.705 120.940 120.200 0.057 0.000 2.313 51 E HA 0.258 4.609 4.350 0.001 0.000 0.276 51 E C -0.081 176.561 176.600 0.070 0.000 1.031 51 E CA -0.512 55.917 56.400 0.049 0.000 0.857 51 E CB 0.650 30.365 29.700 0.026 0.000 1.040 51 E HN 0.077 nan 8.360 nan 0.000 0.408 52 M N 5.123 124.767 119.600 0.074 0.000 2.228 52 M HA 0.130 4.610 4.480 0.001 0.000 0.351 52 M C -1.007 175.329 176.300 0.061 0.000 1.233 52 M CA -0.141 55.219 55.300 0.101 0.000 1.129 52 M CB 0.847 33.497 32.600 0.083 0.000 1.604 52 M HN 0.331 nan 8.290 nan 0.000 0.457 53 V N 1.371 121.326 119.914 0.069 0.000 3.046 53 V HA 0.730 4.850 4.120 0.001 0.000 0.316 53 V C -0.641 175.448 176.094 -0.009 0.000 1.104 53 V CA -0.932 61.355 62.300 -0.022 0.000 1.006 53 V CB 1.978 33.728 31.823 -0.122 0.000 1.058 53 V HN 0.826 nan 8.190 nan 0.000 0.440 54 E N 0.421 120.563 120.200 -0.097 0.000 2.244 54 E HA 0.626 4.976 4.350 0.001 0.000 0.266 54 E C -1.827 174.657 176.600 -0.193 0.000 0.914 54 E CA -0.511 55.874 56.400 -0.025 0.000 0.794 54 E CB 2.528 32.235 29.700 0.013 0.000 1.210 54 E HN 0.628 nan 8.360 nan 0.000 0.414 55 F N 0.011 119.987 119.950 0.044 0.000 2.541 55 F HA 0.086 4.614 4.527 0.001 0.000 0.331 55 F C 1.730 177.548 175.800 0.030 0.000 1.057 55 F CA -0.473 57.548 58.000 0.035 0.000 0.975 55 F CB 1.537 40.559 39.000 0.036 0.000 1.246 55 F HN 0.450 nan 8.300 nan 0.000 0.484 56 S N -1.197 114.637 115.700 0.224 0.000 2.537 56 S HA -0.133 4.337 4.470 0.001 0.000 0.240 56 S C 1.036 175.705 174.600 0.115 0.000 0.981 56 S CA 1.031 59.308 58.200 0.128 0.000 0.948 56 S CB -0.797 62.465 63.200 0.105 0.000 0.759 56 S HN 0.573 nan 8.310 nan 0.000 0.531 57 S N -0.750 115.037 115.700 0.146 0.000 2.575 57 S HA 0.613 5.083 4.470 0.001 0.000 0.237 57 S C 1.406 176.063 174.600 0.094 0.000 0.975 57 S CA 0.035 58.292 58.200 0.094 0.000 0.960 57 S CB -0.012 63.226 63.200 0.063 0.000 0.822 57 S HN 1.176 nan 8.310 nan 0.000 0.472 58 G N 0.830 109.700 108.800 0.117 0.000 2.267 58 G HA2 -0.266 3.694 3.960 0.001 0.000 0.257 58 G HA3 -0.266 3.694 3.960 0.001 0.000 0.257 58 G C -0.061 174.920 174.900 0.135 0.000 0.998 58 G CA 0.200 45.363 45.100 0.104 0.000 0.620 58 G HN 0.543 nan 8.290 nan 0.000 0.529 59 L N 1.419 122.741 121.223 0.165 0.000 2.453 59 L HA 0.558 4.899 4.340 0.001 0.000 0.272 59 L C 0.682 177.755 176.870 0.339 0.000 1.182 59 L CA 0.493 55.440 54.840 0.179 0.000 0.858 59 L CB 0.700 42.793 42.059 0.058 0.000 1.120 59 L HN 0.242 nan 8.230 nan 0.000 0.474 60 K N 2.198 122.787 120.400 0.314 0.000 2.156 60 K HA 0.748 5.068 4.320 0.001 0.000 0.254 60 K C -0.254 176.664 176.600 0.530 0.000 0.950 60 K CA -0.582 55.931 56.287 0.378 0.000 0.849 60 K CB 1.652 34.300 32.500 0.247 0.000 1.100 60 K HN 0.791 nan 8.250 nan 0.000 0.434 61 G N 1.086 110.193 108.800 0.511 0.000 2.658 61 G HA2 0.573 4.534 3.960 0.001 0.000 0.292 61 G HA3 0.573 4.534 3.960 0.001 0.000 0.292 61 G C -1.591 173.522 174.900 0.355 0.000 1.320 61 G CA -0.774 44.587 45.100 0.436 0.000 0.933 61 G HN 0.528 nan 8.290 nan 0.000 0.476 62 M N 1.010 120.733 119.600 0.205 0.000 2.294 62 M HA 0.467 4.947 4.480 0.001 0.000 0.335 62 M C -0.383 175.977 176.300 0.099 0.000 1.079 62 M CA -0.534 54.897 55.300 0.217 0.000 0.982 62 M CB 1.502 34.281 32.600 0.298 0.000 1.651 62 M HN 0.312 nan 8.290 nan 0.000 0.437 63 S N 5.680 121.432 115.700 0.087 0.000 3.065 63 S HA 0.105 4.576 4.470 0.001 0.000 0.311 63 S C 0.589 175.217 174.600 0.047 0.000 1.204 63 S CA -0.524 57.705 58.200 0.049 0.000 1.040 63 S CB 0.059 63.277 63.200 0.030 0.000 1.436 63 S HN 0.748 nan 8.310 nan 0.000 0.532 64 L N 3.829 125.073 121.223 0.035 0.000 2.202 64 L HA 0.273 4.613 4.340 0.001 0.000 0.205 64 L C 0.021 176.905 176.870 0.023 0.000 1.083 64 L CA 1.322 56.182 54.840 0.033 0.000 0.790 64 L CB 0.022 42.090 42.059 0.014 0.000 0.942 64 L HN 0.441 nan 8.230 nan 0.000 0.452 65 N N -0.374 118.334 118.700 0.013 0.000 2.342 65 N HA 0.518 5.258 4.740 0.001 0.000 0.293 65 N C -1.478 174.036 175.510 0.007 0.000 1.026 65 N CA -0.393 52.662 53.050 0.009 0.000 0.857 65 N CB 1.591 40.079 38.487 0.002 0.000 1.256 65 N HN -0.036 nan 8.380 nan 0.000 0.484 66 L N 2.118 123.345 121.223 0.006 0.000 2.324 66 L HA 0.423 4.764 4.340 0.001 0.000 0.274 66 L C -0.280 176.589 176.870 -0.001 0.000 1.012 66 L CA -0.424 54.416 54.840 0.001 0.000 0.859 66 L CB 0.798 42.858 42.059 0.001 0.000 1.224 66 L HN 0.484 nan 8.230 nan 0.000 0.429 67 E N 3.243 123.441 120.200 -0.003 0.000 2.235 67 E HA 0.335 4.686 4.350 0.001 0.000 0.265 67 E C -1.782 174.814 176.600 -0.006 0.000 0.940 67 E CA -1.840 54.559 56.400 -0.002 0.000 0.819 67 E CB 1.881 31.582 29.700 0.002 0.000 1.206 67 E HN 0.247 nan 8.360 nan 0.000 0.409 68 P HA -0.195 nan 4.420 nan 0.000 0.217 68 P C 0.398 177.694 177.300 -0.007 0.000 1.148 68 P CA 1.391 64.487 63.100 -0.006 0.000 0.828 68 P CB 0.180 31.879 31.700 -0.001 0.000 0.783 69 D N -2.349 118.053 120.400 0.003 0.000 2.469 69 D HA 0.054 4.695 4.640 0.001 0.000 0.213 69 D C 0.050 176.365 176.300 0.026 0.000 1.135 69 D CA -0.088 53.923 54.000 0.018 0.000 0.834 69 D CB -0.323 40.500 40.800 0.039 0.000 1.009 69 D HN 0.329 nan 8.370 nan 0.000 0.507 70 N N -1.326 117.379 118.700 0.008 0.000 2.961 70 N HA 0.366 5.107 4.740 0.001 0.000 0.245 70 N C -1.937 173.573 175.510 0.000 0.000 1.404 70 N CA -0.947 52.111 53.050 0.014 0.000 0.880 70 N CB 1.788 40.299 38.487 0.040 0.000 1.461 70 N HN -0.214 nan 8.380 nan 0.000 0.510 71 V N 0.204 120.119 119.914 0.002 0.000 2.384 71 V HA 0.739 4.860 4.120 0.001 0.000 0.287 71 V C 0.619 176.723 176.094 0.016 0.000 1.020 71 V CA -0.601 61.700 62.300 0.001 0.000 0.850 71 V CB 1.175 32.991 31.823 -0.012 0.000 0.987 71 V HN 0.880 nan 8.190 nan 0.000 0.436 72 G N 4.021 112.829 108.800 0.014 0.000 2.338 72 G HA2 0.499 4.460 3.960 0.001 0.000 0.295 72 G HA3 0.499 4.460 3.960 0.001 0.000 0.295 72 G C -0.700 174.212 174.900 0.020 0.000 1.132 72 G CA -0.137 44.972 45.100 0.015 0.000 0.922 72 G HN 0.521 nan 8.290 nan 0.000 0.427 73 V N 3.567 123.506 119.914 0.042 0.000 2.495 73 V HA 0.299 4.420 4.120 0.001 0.000 0.298 73 V C 0.116 176.221 176.094 0.019 0.000 1.031 73 V CA -0.683 61.654 62.300 0.061 0.000 0.871 73 V CB 1.935 33.844 31.823 0.143 0.000 0.988 73 V HN 0.536 nan 8.190 nan 0.000 0.432 74 V N 5.630 125.507 119.914 -0.062 0.000 2.465 74 V HA 0.324 4.444 4.120 0.001 0.000 0.279 74 V C 0.106 176.020 176.094 -0.300 0.000 1.045 74 V CA -0.508 61.672 62.300 -0.200 0.000 0.938 74 V CB 1.568 33.217 31.823 -0.289 0.000 0.986 74 V HN 0.593 nan 8.190 nan 0.000 0.467 75 V N 5.493 125.247 119.914 -0.266 0.000 2.432 75 V HA 0.296 4.417 4.120 0.001 0.000 0.275 75 V C -0.054 175.881 176.094 -0.264 0.000 1.043 75 V CA -0.219 61.943 62.300 -0.230 0.000 0.925 75 V CB 0.857 32.545 31.823 -0.225 0.000 0.985 75 V HN 0.711 nan 8.190 nan 0.000 0.466 76 F N 4.435 124.421 119.950 0.060 0.000 2.660 76 F HA 0.646 5.174 4.527 0.001 0.000 0.342 76 F C 1.079 176.899 175.800 0.034 0.000 1.195 76 F CA 0.173 58.215 58.000 0.069 0.000 1.300 76 F CB 0.197 39.254 39.000 0.095 0.000 1.616 76 F HN 0.726 nan 8.300 nan 0.000 0.592 77 G N 0.038 108.906 108.800 0.113 0.000 2.333 77 G HA2 0.023 3.984 3.960 0.001 0.000 0.288 77 G HA3 0.023 3.984 3.960 0.001 0.000 0.288 77 G C -1.496 173.399 174.900 -0.009 0.000 1.286 77 G CA -1.250 43.886 45.100 0.059 0.000 0.865 77 G HN -0.047 nan 8.290 nan 0.000 0.506 78 N N 1.309 119.998 118.700 -0.018 0.000 2.452 78 N HA 0.231 4.972 4.740 0.001 0.000 0.266 78 N C 0.759 176.221 175.510 -0.080 0.000 1.175 78 N CA -0.295 52.733 53.050 -0.038 0.000 0.945 78 N CB 1.198 39.672 38.487 -0.022 0.000 1.063 78 N HN 0.450 nan 8.380 nan 0.000 0.472 79 D N 1.940 122.287 120.400 -0.087 0.000 2.263 79 D HA -0.180 4.460 4.640 0.001 0.000 0.208 79 D C 1.470 177.711 176.300 -0.099 0.000 0.971 79 D CA 0.910 54.840 54.000 -0.118 0.000 0.867 79 D CB 0.188 40.931 40.800 -0.095 0.000 0.929 79 D HN 0.682 nan 8.370 nan 0.000 0.492 80 K N 1.000 121.360 120.400 -0.067 0.000 2.280 80 K HA -0.084 4.237 4.320 0.001 0.000 0.202 80 K C 1.949 178.519 176.600 -0.050 0.000 1.047 80 K CA 0.741 56.999 56.287 -0.048 0.000 0.942 80 K CB -0.348 32.133 32.500 -0.031 0.000 0.739 80 K HN 0.137 nan 8.250 nan 0.000 0.457 81 L N 1.036 122.219 121.223 -0.066 0.000 2.552 81 L HA 0.175 4.515 4.340 0.001 0.000 0.227 81 L C 0.599 177.426 176.870 -0.072 0.000 1.146 81 L CA 0.188 54.993 54.840 -0.058 0.000 0.858 81 L CB -0.046 41.979 42.059 -0.056 0.000 0.969 81 L HN 0.182 nan 8.230 nan 0.000 0.451 82 I N -0.307 120.197 120.570 -0.109 0.000 2.404 82 I HA 0.248 4.419 4.170 0.001 0.000 0.293 82 I C -0.246 175.848 176.117 -0.038 0.000 0.992 82 I CA -0.484 60.754 61.300 -0.104 0.000 1.149 82 I CB 1.646 39.483 38.000 -0.271 0.000 1.315 82 I HN -0.079 nan 8.210 nan 0.000 0.446 83 K N 3.841 124.248 120.400 0.011 0.000 2.258 83 K HA 0.388 4.708 4.320 0.001 0.000 0.236 83 K C -0.490 176.134 176.600 0.041 0.000 1.008 83 K CA -0.903 55.394 56.287 0.018 0.000 0.869 83 K CB 1.449 33.960 32.500 0.019 0.000 1.171 83 K HN 0.475 nan 8.250 nan 0.000 0.447 84 E N 0.426 120.643 120.200 0.029 0.000 2.366 84 E HA 0.089 4.439 4.350 0.001 0.000 0.266 84 E C 0.221 176.841 176.600 0.034 0.000 1.015 84 E CA 0.701 57.121 56.400 0.033 0.000 0.906 84 E CB 0.160 29.869 29.700 0.015 0.000 0.979 84 E HN 0.766 nan 8.360 nan 0.000 0.443 85 G N 4.128 112.955 108.800 0.045 0.000 2.179 85 G HA2 -0.188 3.772 3.960 0.001 0.000 0.220 85 G HA3 -0.188 3.772 3.960 0.001 0.000 0.220 85 G C -0.253 174.680 174.900 0.055 0.000 0.990 85 G CA -0.049 45.074 45.100 0.038 0.000 0.646 85 G HN 0.625 nan 8.290 nan 0.000 0.517 86 D N 0.363 120.814 120.400 0.085 0.000 2.399 86 D HA 0.429 5.069 4.640 0.001 0.000 0.241 86 D C 0.791 177.143 176.300 0.088 0.000 1.133 86 D CA 0.061 54.126 54.000 0.109 0.000 0.890 86 D CB 0.844 41.756 40.800 0.186 0.000 1.201 86 D HN 0.207 nan 8.370 nan 0.000 0.432 87 I N 1.951 122.558 120.570 0.062 0.000 2.379 87 I HA 0.040 4.210 4.170 0.001 0.000 0.290 87 I C -0.042 176.053 176.117 -0.036 0.000 1.063 87 I CA -0.218 61.093 61.300 0.018 0.000 1.351 87 I CB 0.825 38.835 38.000 0.016 0.000 1.410 87 I HN -0.035 nan 8.210 nan 0.000 0.505 88 V N 7.522 127.371 119.914 -0.109 0.000 2.394 88 V HA 0.405 4.526 4.120 0.001 0.000 0.282 88 V C 0.165 176.153 176.094 -0.178 0.000 1.031 88 V CA -0.816 61.321 62.300 -0.271 0.000 0.881 88 V CB 1.126 32.705 31.823 -0.406 0.000 0.982 88 V HN 0.615 nan 8.190 nan 0.000 0.451 89 K N 4.196 124.493 120.400 -0.171 0.000 2.259 89 K HA 0.641 4.962 4.320 0.001 0.000 0.249 89 K C -0.314 176.232 176.600 -0.090 0.000 0.942 89 K CA -0.922 55.307 56.287 -0.096 0.000 0.816 89 K CB 2.402 34.868 32.500 -0.056 0.000 1.155 89 K HN 0.517 nan 8.250 nan 0.000 0.428 90 R N 0.096 120.561 120.500 -0.058 0.000 2.726 90 R HA 0.096 4.437 4.340 0.001 0.000 0.272 90 R C 0.992 177.278 176.300 -0.023 0.000 1.097 90 R CA 0.322 56.398 56.100 -0.040 0.000 1.198 90 R CB 0.547 30.829 30.300 -0.030 0.000 1.114 90 R HN 0.894 nan 8.270 nan 0.000 0.550 91 T N -3.826 110.722 114.554 -0.010 0.000 2.993 91 T HA 0.187 4.537 4.350 0.001 0.000 0.260 91 T C 1.319 176.019 174.700 -0.000 0.000 0.939 91 T CA 0.417 62.516 62.100 -0.001 0.000 0.886 91 T CB 0.718 69.592 68.868 0.009 0.000 1.209 91 T HN 0.781 nan 8.240 nan 0.000 0.518 92 G N 2.085 110.885 108.800 -0.000 0.000 2.396 92 G HA2 -0.130 3.830 3.960 0.001 0.000 0.242 92 G HA3 -0.130 3.830 3.960 0.001 0.000 0.242 92 G C 0.425 175.328 174.900 0.005 0.000 1.069 92 G CA -0.003 45.097 45.100 0.000 0.000 0.633 92 G HN 1.466 nan 8.290 nan 0.000 0.517 93 A N 0.384 123.208 122.820 0.007 0.000 2.320 93 A HA 0.720 5.041 4.320 0.001 0.000 0.287 93 A C 0.278 177.872 177.584 0.016 0.000 1.181 93 A CA -0.341 51.701 52.037 0.008 0.000 0.831 93 A CB 0.330 19.332 19.000 0.003 0.000 1.102 93 A HN 0.742 nan 8.150 nan 0.000 0.513 94 I N 2.448 123.028 120.570 0.016 0.000 2.598 94 I HA -0.005 4.166 4.170 0.001 0.000 0.284 94 I C 0.498 176.628 176.117 0.022 0.000 1.140 94 I CA 0.513 61.828 61.300 0.025 0.000 1.420 94 I CB 0.906 38.919 38.000 0.021 0.000 1.387 94 I HN 0.437 nan 8.210 nan 0.000 0.553 95 V N 6.653 126.590 119.914 0.039 0.000 3.145 95 V HA -0.215 3.906 4.120 0.001 0.000 0.276 95 V C 0.212 176.301 176.094 -0.008 0.000 1.055 95 V CA 0.525 62.840 62.300 0.024 0.000 1.199 95 V CB -1.919 29.937 31.823 0.055 0.000 0.758 95 V HN 0.841 nan 8.190 nan 0.000 0.418 96 D N 4.233 124.622 120.400 -0.019 0.000 2.340 96 D HA 0.740 5.381 4.640 0.001 0.000 0.243 96 D C -0.305 175.971 176.300 -0.041 0.000 0.988 96 D CA -0.710 53.276 54.000 -0.024 0.000 0.959 96 D CB 2.280 43.070 40.800 -0.017 0.000 1.226 96 D HN 0.415 nan 8.370 nan 0.000 0.509 97 V N -4.188 115.703 119.914 -0.038 0.000 2.876 97 V HA 0.631 4.751 4.120 0.001 0.000 0.312 97 V C -2.835 173.230 176.094 -0.049 0.000 1.085 97 V CA -2.360 59.912 62.300 -0.046 0.000 0.945 97 V CB 1.797 33.595 31.823 -0.041 0.000 1.017 97 V HN 0.503 nan 8.190 nan 0.000 0.428 98 P HA 0.283 nan 4.420 nan 0.000 0.267 98 P C -0.565 176.680 177.300 -0.091 0.000 1.209 98 P CA 0.318 63.376 63.100 -0.069 0.000 0.763 98 P CB 1.313 32.978 31.700 -0.058 0.000 0.816 99 V N 2.225 122.052 119.914 -0.144 0.000 3.164 99 V HA 0.896 5.017 4.120 0.001 0.000 0.313 99 V C 0.732 176.576 176.094 -0.417 0.000 1.188 99 V CA 0.262 62.422 62.300 -0.233 0.000 1.058 99 V CB 1.537 33.236 31.823 -0.206 0.000 1.110 99 V HN 0.982 nan 8.190 nan 0.000 0.453 100 G N 0.745 109.078 108.800 -0.779 0.000 2.297 100 G HA2 -0.040 3.921 3.960 0.001 0.000 0.209 100 G HA3 -0.040 3.921 3.960 0.001 0.000 0.209 100 G C -0.145 174.362 174.900 -0.654 0.000 1.267 100 G CA 0.140 44.607 45.100 -1.055 0.000 1.127 100 G HN 0.584 nan 8.290 nan 0.000 0.498 101 E N 0.099 120.098 120.200 -0.336 0.000 2.489 101 E HA 0.148 4.498 4.350 0.001 0.000 0.204 101 E C 1.319 177.915 176.600 -0.006 0.000 1.006 101 E CA 0.273 56.630 56.400 -0.071 0.000 0.936 101 E CB 0.662 30.360 29.700 -0.005 0.000 1.002 101 E HN 0.496 nan 8.360 nan 0.000 0.488 102 E N 0.375 120.539 120.200 -0.059 0.000 2.516 102 E HA -0.053 4.298 4.350 0.001 0.000 0.199 102 E C 1.041 177.636 176.600 -0.007 0.000 1.069 102 E CA 0.387 56.771 56.400 -0.026 0.000 0.876 102 E CB 0.105 29.776 29.700 -0.047 0.000 0.843 102 E HN 0.121 nan 8.360 nan 0.000 0.530 103 L N -0.493 120.734 121.223 0.006 0.000 2.556 103 L HA 0.150 4.490 4.340 0.001 0.000 0.226 103 L C 0.315 177.222 176.870 0.061 0.000 1.089 103 L CA 0.137 54.992 54.840 0.025 0.000 0.864 103 L CB 0.058 42.129 42.059 0.020 0.000 1.067 103 L HN 0.071 nan 8.230 nan 0.000 0.477 104 L N 1.266 122.552 121.223 0.105 0.000 2.654 104 L HA 0.211 4.552 4.340 0.001 0.000 0.271 104 L C 1.260 178.174 176.870 0.073 0.000 1.169 104 L CA 0.739 55.657 54.840 0.131 0.000 0.947 104 L CB -0.420 41.774 42.059 0.226 0.000 1.232 104 L HN 0.450 nan 8.230 nan 0.000 0.486 105 G N 2.133 110.952 108.800 0.032 0.000 2.159 105 G HA2 -0.176 3.784 3.960 0.001 0.000 0.227 105 G HA3 -0.176 3.784 3.960 0.001 0.000 0.227 105 G C 0.169 175.068 174.900 -0.002 0.000 0.986 105 G CA -0.637 44.462 45.100 -0.001 0.000 0.651 105 G HN 0.446 nan 8.290 nan 0.000 0.523 106 R N -0.428 120.077 120.500 0.009 0.000 2.787 106 R HA 0.758 5.099 4.340 0.001 0.000 0.271 106 R C -0.495 175.809 176.300 0.007 0.000 0.993 106 R CA -0.767 55.336 56.100 0.006 0.000 0.993 106 R CB 1.892 32.198 30.300 0.009 0.000 1.155 106 R HN 0.268 nan 8.270 nan 0.000 0.486 107 V N 2.307 122.225 119.914 0.006 0.000 2.407 107 V HA 0.395 4.515 4.120 0.001 0.000 0.291 107 V C 0.126 176.227 176.094 0.012 0.000 1.018 107 V CA -0.799 61.509 62.300 0.012 0.000 0.842 107 V CB 1.486 33.316 31.823 0.011 0.000 0.996 107 V HN 0.596 nan 8.190 nan 0.000 0.426 108 V N 1.186 121.108 119.914 0.013 0.000 3.046 108 V HA 0.841 4.962 4.120 0.001 0.000 0.316 108 V C -0.314 175.785 176.094 0.009 0.000 1.104 108 V CA -0.915 61.389 62.300 0.007 0.000 1.006 108 V CB 2.057 33.880 31.823 -0.001 0.000 1.058 108 V HN 0.782 nan 8.190 nan 0.000 0.440 109 D N 1.349 121.751 120.400 0.003 0.000 2.478 109 D HA 0.540 5.180 4.640 0.001 0.000 0.269 109 D C 1.263 177.556 176.300 -0.011 0.000 1.232 109 D CA 0.010 54.013 54.000 0.005 0.000 1.059 109 D CB 0.770 41.577 40.800 0.010 0.000 1.104 109 D HN 0.782 nan 8.370 nan 0.000 0.566 110 A N -0.644 122.168 122.820 -0.012 0.000 1.978 110 A HA -0.137 4.183 4.320 0.001 0.000 0.220 110 A C 2.228 179.753 177.584 -0.099 0.000 1.170 110 A CA 1.308 53.322 52.037 -0.039 0.000 0.636 110 A CB -1.024 17.968 19.000 -0.014 0.000 0.810 110 A HN 0.562 nan 8.150 nan 0.000 0.448 111 L N -2.135 119.019 121.223 -0.114 0.000 2.131 111 L HA 0.167 4.508 4.340 0.001 0.000 0.206 111 L C 1.775 178.594 176.870 -0.085 0.000 1.087 111 L CA 0.917 55.670 54.840 -0.145 0.000 0.767 111 L CB -0.196 41.786 42.059 -0.129 0.000 0.917 111 L HN 0.591 nan 8.230 nan 0.000 0.441 112 G N -0.487 108.282 108.800 -0.052 0.000 2.147 112 G HA2 -0.178 3.782 3.960 0.001 0.000 0.128 112 G HA3 -0.178 3.782 3.960 0.001 0.000 0.128 112 G C -0.332 174.552 174.900 -0.025 0.000 1.026 112 G CA -0.667 44.412 45.100 -0.036 0.000 0.693 112 G HN 0.235 nan 8.290 nan 0.000 0.499 113 N N 0.737 119.426 118.700 -0.019 0.000 2.498 113 N HA 0.576 5.316 4.740 0.001 0.000 0.287 113 N C 0.479 175.987 175.510 -0.003 0.000 1.097 113 N CA 0.322 53.366 53.050 -0.009 0.000 0.973 113 N CB 1.674 40.159 38.487 -0.003 0.000 1.153 113 N HN 0.600 nan 8.380 nan 0.000 0.472 114 A N 1.762 124.581 122.820 -0.002 0.000 2.491 114 A HA 0.173 4.494 4.320 0.001 0.000 0.261 114 A C 1.371 178.958 177.584 0.005 0.000 1.101 114 A CA -0.247 51.791 52.037 0.001 0.000 0.772 114 A CB -0.688 18.312 19.000 -0.000 0.000 1.043 114 A HN 0.816 nan 8.150 nan 0.000 0.501 115 I N -0.306 120.268 120.570 0.007 0.000 4.057 115 I HA 0.172 4.342 4.170 0.001 0.000 0.334 115 I C 0.699 176.821 176.117 0.008 0.000 1.308 115 I CA 0.328 61.634 61.300 0.010 0.000 1.125 115 I CB 0.146 38.154 38.000 0.014 0.000 1.034 115 I HN 0.483 nan 8.210 nan 0.000 0.401 116 D N 1.494 121.897 120.400 0.005 0.000 2.349 116 D HA 0.105 4.746 4.640 0.001 0.000 0.224 116 D C 1.752 178.052 176.300 0.001 0.000 1.029 116 D CA 0.569 54.571 54.000 0.002 0.000 0.879 116 D CB -0.230 40.569 40.800 -0.001 0.000 0.906 116 D HN 0.442 nan 8.370 nan 0.000 0.528 117 G N 0.707 109.509 108.800 0.002 0.000 2.187 117 G HA2 -0.394 3.567 3.960 0.001 0.000 0.261 117 G HA3 -0.394 3.567 3.960 0.001 0.000 0.261 117 G C 0.522 175.423 174.900 0.001 0.000 1.000 117 G CA 0.442 45.544 45.100 0.002 0.000 0.718 117 G HN 0.483 nan 8.290 nan 0.000 0.519 118 K N 0.653 121.054 120.400 0.000 0.000 2.994 118 K HA 0.475 4.796 4.320 0.001 0.000 0.231 118 K C 1.380 177.980 176.600 -0.000 0.000 1.174 118 K CA 0.245 56.532 56.287 -0.000 0.000 1.221 118 K CB 0.048 32.547 32.500 -0.001 0.000 1.166 118 K HN 1.285 nan 8.250 nan 0.000 0.453 119 G N 2.575 111.375 108.800 0.000 0.000 2.750 119 G HA2 -0.224 3.737 3.960 0.001 0.000 0.228 119 G HA3 -0.224 3.737 3.960 0.001 0.000 0.228 119 G C -2.652 172.247 174.900 -0.001 0.000 1.367 119 G CA -1.057 44.043 45.100 -0.000 0.000 0.871 119 G HN 0.220 nan 8.290 nan 0.000 0.560 120 P HA 0.591 nan 4.420 nan 0.000 0.278 120 P C 0.202 177.497 177.300 -0.008 0.000 1.266 120 P CA -0.711 62.386 63.100 -0.005 0.000 0.807 120 P CB 0.648 32.344 31.700 -0.006 0.000 1.094 121 I N 0.153 120.716 120.570 -0.013 0.000 2.575 121 I HA 0.155 4.326 4.170 0.001 0.000 0.285 121 I C 1.561 177.665 176.117 -0.022 0.000 1.085 121 I CA 0.051 61.340 61.300 -0.018 0.000 1.403 121 I CB 0.201 38.186 38.000 -0.026 0.000 1.409 121 I HN 0.510 nan 8.210 nan 0.000 0.557 122 G N 3.665 112.450 108.800 -0.024 0.000 3.741 122 G HA2 0.082 4.043 3.960 0.001 0.000 0.263 122 G HA3 0.082 4.043 3.960 0.001 0.000 0.263 122 G C 0.491 175.366 174.900 -0.042 0.000 1.175 122 G CA -0.183 44.901 45.100 -0.027 0.000 1.642 122 G HN 0.606 nan 8.290 nan 0.000 0.644 123 S N -0.029 115.642 115.700 -0.049 0.000 2.498 123 S HA 0.161 4.631 4.470 0.001 0.000 0.281 123 S C 1.224 175.783 174.600 -0.068 0.000 1.265 123 S CA -0.048 58.109 58.200 -0.072 0.000 1.071 123 S CB 0.612 63.770 63.200 -0.070 0.000 0.894 123 S HN 0.495 nan 8.310 nan 0.000 0.491 124 K N 2.738 123.086 120.400 -0.086 0.000 2.358 124 K HA 0.362 4.683 4.320 0.001 0.000 0.200 124 K C 0.069 176.622 176.600 -0.078 0.000 1.030 124 K CA 0.039 56.284 56.287 -0.070 0.000 1.097 124 K CB 0.818 33.281 32.500 -0.062 0.000 0.862 124 K HN 0.622 nan 8.250 nan 0.000 0.534 125 A N 1.194 123.950 122.820 -0.107 0.000 2.539 125 A HA 0.686 5.006 4.320 0.001 0.000 0.296 125 A C -1.181 176.344 177.584 -0.100 0.000 1.073 125 A CA -0.803 51.173 52.037 -0.103 0.000 0.700 125 A CB 1.407 20.325 19.000 -0.137 0.000 1.296 125 A HN 0.083 nan 8.150 nan 0.000 0.405 126 R N 0.149 120.608 120.500 -0.067 0.000 2.744 126 R HA 0.730 5.070 4.340 0.001 0.000 0.279 126 R C -0.728 175.552 176.300 -0.034 0.000 0.977 126 R CA -0.780 55.288 56.100 -0.054 0.000 0.906 126 R CB 2.835 33.111 30.300 -0.039 0.000 1.197 126 R HN 0.796 nan 8.270 nan 0.000 0.463 127 R N 1.014 121.498 120.500 -0.026 0.000 2.771 127 R HA 0.391 4.732 4.340 0.001 0.000 0.274 127 R C -0.776 175.522 176.300 -0.002 0.000 0.987 127 R CA -0.823 55.275 56.100 -0.005 0.000 0.908 127 R CB 1.873 32.179 30.300 0.011 0.000 1.213 127 R HN 0.501 nan 8.270 nan 0.000 0.468 128 R N 1.284 121.787 120.500 0.005 0.000 2.543 128 R HA 0.048 4.389 4.340 0.001 0.000 0.277 128 R C 1.352 177.654 176.300 0.004 0.000 1.074 128 R CA 0.089 56.190 56.100 0.002 0.000 1.076 128 R CB 1.076 31.378 30.300 0.004 0.000 0.993 128 R HN 0.561 nan 8.270 nan 0.000 0.459 129 V N 0.295 120.205 119.914 -0.007 0.000 2.719 129 V HA 0.111 4.231 4.120 0.001 0.000 0.252 129 V C 0.994 177.062 176.094 -0.043 0.000 1.065 129 V CA 1.512 63.810 62.300 -0.003 0.000 1.086 129 V CB -0.028 31.785 31.823 -0.016 0.000 0.700 129 V HN 0.786 nan 8.190 nan 0.000 0.467 130 G N 1.198 109.960 108.800 -0.064 0.000 4.126 130 G HA2 0.591 4.551 3.960 0.001 0.000 0.282 130 G HA3 0.591 4.551 3.960 0.001 0.000 0.282 130 G C -0.364 174.506 174.900 -0.051 0.000 1.221 130 G CA -0.367 44.670 45.100 -0.104 0.000 1.527 130 G HN 0.397 nan 8.290 nan 0.000 0.612 131 L N -0.163 121.043 121.223 -0.028 0.000 2.358 131 L HA 0.563 4.904 4.340 0.001 0.000 0.268 131 L C 0.428 177.296 176.870 -0.004 0.000 1.032 131 L CA -1.079 53.760 54.840 -0.003 0.000 0.805 131 L CB 1.995 44.064 42.059 0.017 0.000 1.253 131 L HN 0.118 nan 8.230 nan 0.000 0.452 132 K N 0.654 121.060 120.400 0.010 0.000 2.098 132 K HA 0.610 4.930 4.320 0.001 0.000 0.261 132 K C -0.519 176.088 176.600 0.011 0.000 0.987 132 K CA -0.475 55.819 56.287 0.012 0.000 0.916 132 K CB 1.547 34.061 32.500 0.023 0.000 1.039 132 K HN 0.627 nan 8.250 nan 0.000 0.455 133 A N 4.151 126.974 122.820 0.005 0.000 2.371 133 A HA 0.330 4.650 4.320 0.001 0.000 0.257 133 A C -2.182 175.391 177.584 -0.019 0.000 1.089 133 A CA -1.253 50.781 52.037 -0.004 0.000 0.794 133 A CB -0.413 18.583 19.000 -0.006 0.000 1.029 133 A HN 0.597 nan 8.150 nan 0.000 0.488 134 P HA 0.079 nan 4.420 nan 0.000 0.263 134 P C 0.810 178.055 177.300 -0.093 0.000 1.175 134 P CA 0.890 63.928 63.100 -0.102 0.000 0.761 134 P CB 0.344 31.949 31.700 -0.160 0.000 0.794 135 G N 1.787 110.527 108.800 -0.099 0.000 2.468 135 G HA2 0.109 4.069 3.960 0.001 0.000 0.264 135 G HA3 0.109 4.069 3.960 0.001 0.000 0.264 135 G C 1.130 175.980 174.900 -0.083 0.000 1.460 135 G CA -0.529 44.532 45.100 -0.066 0.000 1.060 135 G HN 0.418 nan 8.290 nan 0.000 0.543 136 I N -0.053 120.486 120.570 -0.052 0.000 2.286 136 I HA -0.081 4.089 4.170 0.001 0.000 0.245 136 I C 2.413 178.495 176.117 -0.059 0.000 1.104 136 I CA 0.526 61.800 61.300 -0.043 0.000 1.397 136 I CB -0.096 37.894 38.000 -0.017 0.000 1.072 136 I HN 0.224 nan 8.210 nan 0.000 0.417 137 I N 0.919 121.453 120.570 -0.060 0.000 2.286 137 I HA -0.087 4.083 4.170 0.001 0.000 0.245 137 I C -0.398 175.649 176.117 -0.117 0.000 1.104 137 I CA 1.247 62.521 61.300 -0.043 0.000 1.397 137 I CB -2.676 35.335 38.000 0.020 0.000 1.072 137 I HN 0.140 nan 8.210 nan 0.000 0.417 138 P HA -0.033 nan 4.420 nan 0.000 0.239 138 P C 0.365 177.415 177.300 -0.417 0.000 1.184 138 P CA 0.874 63.494 63.100 -0.800 0.000 0.760 138 P CB 0.049 30.895 31.700 -1.423 0.000 0.884 139 R N -0.529 119.849 120.500 -0.204 0.000 2.782 139 R HA 0.775 5.115 4.340 0.001 0.000 0.258 139 R C -0.368 175.905 176.300 -0.046 0.000 1.055 139 R CA -0.938 55.097 56.100 -0.109 0.000 1.065 139 R CB 1.476 31.725 30.300 -0.085 0.000 1.172 139 R HN -0.047 nan 8.270 nan 0.000 0.510 140 I N -0.324 120.232 120.570 -0.022 0.000 2.841 140 I HA 0.123 4.294 4.170 0.001 0.000 0.298 140 I C -0.765 175.350 176.117 -0.004 0.000 1.304 140 I CA -0.528 60.769 61.300 -0.005 0.000 1.019 140 I CB 2.416 40.423 38.000 0.011 0.000 1.282 140 I HN 0.783 nan 8.210 nan 0.000 0.432 141 S N 5.344 121.043 115.700 -0.002 0.000 2.544 141 S HA 0.231 4.701 4.470 0.001 0.000 0.290 141 S C 0.188 174.785 174.600 -0.005 0.000 1.276 141 S CA -0.735 57.463 58.200 -0.003 0.000 1.075 141 S CB 0.273 63.473 63.200 -0.001 0.000 0.849 141 S HN 0.729 nan 8.310 nan 0.000 0.494 142 V N 1.993 121.902 119.914 -0.009 0.000 2.814 142 V HA 0.191 4.312 4.120 0.001 0.000 0.307 142 V C 1.092 177.173 176.094 -0.021 0.000 1.089 142 V CA 0.397 62.687 62.300 -0.017 0.000 1.212 142 V CB -0.313 31.496 31.823 -0.023 0.000 0.912 142 V HN 1.152 nan 8.190 nan 0.000 0.497 143 R N 0.958 121.438 120.500 -0.033 0.000 2.729 143 R HA 0.361 4.702 4.340 0.001 0.000 0.215 143 R C 0.244 176.509 176.300 -0.058 0.000 0.970 143 R CA -0.481 55.598 56.100 -0.034 0.000 1.196 143 R CB 0.324 30.612 30.300 -0.021 0.000 1.670 143 R HN 0.676 nan 8.270 nan 0.000 0.575 144 E N 3.644 123.788 120.200 -0.093 0.000 2.283 144 E HA 0.274 4.624 4.350 0.001 0.000 0.278 144 E C -2.478 174.028 176.600 -0.157 0.000 1.027 144 E CA -2.332 53.978 56.400 -0.150 0.000 0.843 144 E CB 1.344 30.890 29.700 -0.257 0.000 1.062 144 E HN 0.016 nan 8.360 nan 0.000 0.401 145 P HA 0.023 nan 4.420 nan 0.000 0.276 145 P C -0.840 176.344 177.300 -0.193 0.000 1.264 145 P CA -0.296 62.724 63.100 -0.134 0.000 0.769 145 P CB 0.397 32.039 31.700 -0.096 0.000 0.840 146 M N 4.102 123.612 119.600 -0.149 0.000 2.151 146 M HA 0.160 4.640 4.480 0.001 0.000 0.349 146 M C -0.418 175.825 176.300 -0.094 0.000 1.284 146 M CA 0.244 55.453 55.300 -0.152 0.000 1.173 146 M CB -0.015 32.518 32.600 -0.110 0.000 1.469 146 M HN 0.151 nan 8.290 nan 0.000 0.439 147 Q N 3.424 123.166 119.800 -0.097 0.000 2.295 147 Q HA 0.187 4.528 4.340 0.001 0.000 0.259 147 Q C 0.973 177.000 176.000 0.045 0.000 0.976 147 Q CA 0.411 56.225 55.803 0.018 0.000 0.923 147 Q CB 0.853 29.683 28.738 0.153 0.000 1.185 147 Q HN 0.909 nan 8.270 nan 0.000 0.410 148 T N -1.206 113.370 114.554 0.035 0.000 2.937 148 T HA 0.088 4.438 4.350 0.001 0.000 0.260 148 T C 1.299 176.028 174.700 0.048 0.000 1.051 148 T CA 0.800 62.920 62.100 0.034 0.000 1.141 148 T CB 0.040 68.919 68.868 0.019 0.000 0.879 148 T HN 0.832 nan 8.240 nan 0.000 0.459 149 G N 1.311 110.142 108.800 0.051 0.000 2.176 149 G HA2 -0.188 3.773 3.960 0.001 0.000 0.253 149 G HA3 -0.188 3.773 3.960 0.001 0.000 0.253 149 G C 0.011 174.927 174.900 0.027 0.000 0.979 149 G CA 0.113 45.238 45.100 0.041 0.000 0.641 149 G HN 0.666 nan 8.290 nan 0.000 0.530 150 I N 0.616 121.201 120.570 0.025 0.000 2.359 150 I HA 0.326 4.497 4.170 0.001 0.000 0.294 150 I C 1.517 177.649 176.117 0.026 0.000 0.987 150 I CA -0.792 60.521 61.300 0.021 0.000 1.225 150 I CB 1.526 39.536 38.000 0.016 0.000 1.366 150 I HN -0.037 nan 8.210 nan 0.000 0.466 151 K N 3.973 124.390 120.400 0.028 0.000 2.057 151 K HA -0.138 4.183 4.320 0.001 0.000 0.207 151 K C 1.990 178.611 176.600 0.034 0.000 1.049 151 K CA 1.632 57.939 56.287 0.034 0.000 0.931 151 K CB -0.113 32.410 32.500 0.038 0.000 0.714 151 K HN 0.802 nan 8.250 nan 0.000 0.440 152 A N 0.918 123.759 122.820 0.035 0.000 1.969 152 A HA -0.096 4.225 4.320 0.001 0.000 0.218 152 A C 2.299 179.904 177.584 0.035 0.000 1.169 152 A CA 1.271 53.330 52.037 0.038 0.000 0.635 152 A CB -0.453 18.573 19.000 0.043 0.000 0.810 152 A HN 0.060 nan 8.150 nan 0.000 0.445 153 V N 0.349 120.280 119.914 0.029 0.000 2.231 153 V HA -0.175 3.945 4.120 0.001 0.000 0.240 153 V C 2.054 178.161 176.094 0.021 0.000 1.039 153 V CA 1.952 64.266 62.300 0.023 0.000 0.998 153 V CB -0.969 30.864 31.823 0.016 0.000 0.639 153 V HN 0.420 nan 8.190 nan 0.000 0.451 154 D N 0.618 121.031 120.400 0.022 0.000 2.271 154 D HA -0.136 4.505 4.640 0.001 0.000 0.207 154 D C 2.352 178.666 176.300 0.024 0.000 0.983 154 D CA 1.802 55.815 54.000 0.022 0.000 0.878 154 D CB -0.076 40.740 40.800 0.027 0.000 0.920 154 D HN 0.636 nan 8.370 nan 0.000 0.479 155 S N -0.771 114.946 115.700 0.029 0.000 2.398 155 S HA 0.054 4.525 4.470 0.001 0.000 0.220 155 S C 2.064 176.682 174.600 0.030 0.000 1.046 155 S CA 0.071 58.290 58.200 0.031 0.000 0.953 155 S CB -0.314 62.908 63.200 0.036 0.000 0.856 155 S HN 0.190 nan 8.310 nan 0.000 0.506 156 L N 1.033 122.275 121.223 0.032 0.000 2.253 156 L HA 0.352 4.693 4.340 0.001 0.000 0.205 156 L C 0.088 176.977 176.870 0.032 0.000 1.078 156 L CA 0.203 55.064 54.840 0.035 0.000 0.805 156 L CB 0.187 42.271 42.059 0.042 0.000 0.963 156 L HN 0.179 nan 8.230 nan 0.000 0.459 157 V N 0.929 120.860 119.914 0.028 0.000 2.326 157 V HA 0.272 4.393 4.120 0.001 0.000 0.254 157 V C -2.507 173.593 176.094 0.010 0.000 1.022 157 V CA -1.376 60.937 62.300 0.022 0.000 1.074 157 V CB 0.114 31.951 31.823 0.023 0.000 1.305 157 V HN -0.001 nan 8.190 nan 0.000 0.506 158 P HA 0.317 nan 4.420 nan 0.000 0.276 158 P C -0.159 177.135 177.300 -0.009 0.000 1.253 158 P CA 0.208 63.309 63.100 0.001 0.000 0.766 158 P CB 0.691 32.392 31.700 0.002 0.000 0.845 159 I N 2.461 123.021 120.570 -0.017 0.000 2.440 159 I HA 0.503 4.674 4.170 0.001 0.000 0.294 159 I C 1.209 177.301 176.117 -0.041 0.000 0.995 159 I CA -0.133 61.150 61.300 -0.028 0.000 1.306 159 I CB 1.290 39.272 38.000 -0.030 0.000 1.407 159 I HN 0.333 nan 8.210 nan 0.000 0.501 160 G N 4.445 113.218 108.800 -0.044 0.000 2.453 160 G HA2 0.525 4.486 3.960 0.001 0.000 0.323 160 G HA3 0.525 4.486 3.960 0.001 0.000 0.323 160 G C -0.680 174.179 174.900 -0.069 0.000 1.198 160 G CA -0.872 44.192 45.100 -0.059 0.000 0.959 160 G HN 0.516 nan 8.290 nan 0.000 0.482 161 R N 0.182 120.623 120.500 -0.100 0.000 2.370 161 R HA 0.410 4.750 4.340 0.001 0.000 0.309 161 R C 1.141 177.414 176.300 -0.045 0.000 1.059 161 R CA 1.111 57.150 56.100 -0.101 0.000 0.981 161 R CB 0.780 30.955 30.300 -0.210 0.000 0.972 161 R HN 1.124 nan 8.270 nan 0.000 0.437 162 G N 1.667 110.459 108.800 -0.014 0.000 2.201 162 G HA2 -0.257 3.704 3.960 0.001 0.000 0.212 162 G HA3 -0.257 3.704 3.960 0.001 0.000 0.212 162 G C 0.043 174.940 174.900 -0.006 0.000 0.994 162 G CA -0.267 44.836 45.100 0.005 0.000 0.644 162 G HN 0.561 nan 8.290 nan 0.000 0.508 163 Q N 0.101 119.891 119.800 -0.017 0.000 2.226 163 Q HA 0.694 5.035 4.340 0.001 0.000 0.256 163 Q C -0.369 175.620 176.000 -0.018 0.000 0.962 163 Q CA -0.872 54.920 55.803 -0.018 0.000 0.887 163 Q CB 0.786 29.510 28.738 -0.023 0.000 1.282 163 Q HN 0.262 nan 8.270 nan 0.000 0.449 164 R N 2.116 122.605 120.500 -0.018 0.000 2.255 164 R HA 0.299 4.640 4.340 0.001 0.000 0.326 164 R C -1.159 175.121 176.300 -0.034 0.000 0.986 164 R CA -0.395 55.693 56.100 -0.021 0.000 0.847 164 R CB 1.250 31.536 30.300 -0.023 0.000 1.111 164 R HN 0.441 nan 8.270 nan 0.000 0.452 165 E N 2.414 122.590 120.200 -0.040 0.000 2.210 165 E HA 0.333 4.683 4.350 0.001 0.000 0.266 165 E C -1.624 174.931 176.600 -0.075 0.000 0.883 165 E CA -0.961 55.406 56.400 -0.056 0.000 0.761 165 E CB 1.158 30.829 29.700 -0.048 0.000 1.156 165 E HN 0.309 nan 8.360 nan 0.000 0.412 166 L N 5.335 126.492 121.223 -0.110 0.000 2.292 166 L HA 0.519 4.860 4.340 0.001 0.000 0.284 166 L C -1.132 175.636 176.870 -0.169 0.000 1.065 166 L CA -0.172 54.581 54.840 -0.145 0.000 0.806 166 L CB 0.676 42.624 42.059 -0.185 0.000 1.175 166 L HN 0.595 nan 8.230 nan 0.000 0.431 167 I N 6.773 127.260 120.570 -0.138 0.000 2.315 167 I HA 0.453 4.623 4.170 0.001 0.000 0.291 167 I C -0.175 175.848 176.117 -0.157 0.000 1.006 167 I CA 0.075 61.294 61.300 -0.135 0.000 1.265 167 I CB 1.180 39.133 38.000 -0.078 0.000 1.387 167 I HN 0.558 nan 8.210 nan 0.000 0.475 168 I N 5.024 125.475 120.570 -0.199 0.000 2.656 168 I HA 0.902 5.072 4.170 0.001 0.000 0.292 168 I C -0.406 175.667 176.117 -0.074 0.000 1.144 168 I CA 0.058 61.258 61.300 -0.168 0.000 1.038 168 I CB 1.910 39.756 38.000 -0.257 0.000 1.244 168 I HN 0.714 nan 8.210 nan 0.000 0.420 169 G N 4.911 113.699 108.800 -0.020 0.000 2.325 169 G HA2 0.195 4.156 3.960 0.001 0.000 0.297 169 G HA3 0.195 4.156 3.960 0.001 0.000 0.297 169 G C -1.987 172.911 174.900 -0.003 0.000 1.448 169 G CA -0.837 44.277 45.100 0.022 0.000 0.838 169 G HN 0.527 nan 8.290 nan 0.000 0.579 170 D N 0.173 120.571 120.400 -0.004 0.000 2.354 170 D HA 0.340 4.981 4.640 0.001 0.000 0.238 170 D C 1.283 177.554 176.300 -0.049 0.000 1.250 170 D CA 0.015 54.002 54.000 -0.022 0.000 0.911 170 D CB 0.523 41.305 40.800 -0.031 0.000 1.163 170 D HN 0.740 nan 8.370 nan 0.000 0.456 171 R N 0.128 120.606 120.500 -0.038 0.000 2.734 171 R HA 0.036 4.376 4.340 0.001 0.000 0.266 171 R C -0.094 176.162 176.300 -0.074 0.000 1.044 171 R CA -0.352 55.724 56.100 -0.040 0.000 1.128 171 R CB 0.075 30.369 30.300 -0.009 0.000 1.010 171 R HN 0.181 nan 8.270 nan 0.000 0.461 172 Q N 0.081 119.824 119.800 -0.095 0.000 2.453 172 Q HA -0.151 4.190 4.340 0.001 0.000 0.330 172 Q C -0.243 175.449 176.000 -0.513 0.000 1.417 172 Q CA 1.632 57.336 55.803 -0.166 0.000 0.902 172 Q CB -1.612 27.134 28.738 0.014 0.000 1.154 172 Q HN 1.029 nan 8.270 nan 0.000 0.395 173 T N -5.282 108.936 114.554 -0.559 0.000 3.144 173 T HA 0.475 4.826 4.350 0.001 0.000 0.290 173 T C 1.040 175.410 174.700 -0.551 0.000 0.966 173 T CA 0.697 62.322 62.100 -0.790 0.000 0.907 173 T CB 1.175 69.867 68.868 -0.293 0.000 1.152 173 T HN 0.873 nan 8.240 nan 0.000 0.532 174 G N 2.017 110.589 108.800 -0.380 0.000 2.163 174 G HA2 -0.274 3.686 3.960 0.001 0.000 0.213 174 G HA3 -0.274 3.686 3.960 0.001 0.000 0.213 174 G C 0.865 175.728 174.900 -0.062 0.000 0.991 174 G CA 0.271 45.300 45.100 -0.118 0.000 0.653 174 G HN 0.509 nan 8.290 nan 0.000 0.518 175 K N -0.085 120.268 120.400 -0.077 0.000 2.000 175 K HA -0.145 4.176 4.320 0.001 0.000 0.218 175 K C 2.539 179.134 176.600 -0.008 0.000 1.053 175 K CA 2.149 58.412 56.287 -0.041 0.000 0.946 175 K CB -0.597 31.876 32.500 -0.045 0.000 0.723 175 K HN 0.348 nan 8.250 nan 0.000 0.446 176 T N 1.159 115.718 114.554 0.010 0.000 2.759 176 T HA -0.128 4.223 4.350 0.001 0.000 0.269 176 T C 2.137 176.852 174.700 0.026 0.000 1.042 176 T CA 1.622 63.756 62.100 0.057 0.000 1.140 176 T CB -0.258 68.656 68.868 0.076 0.000 0.864 176 T HN 0.169 nan 8.240 nan 0.000 0.455 177 S N 1.020 116.711 115.700 -0.014 0.000 2.400 177 S HA -0.052 4.418 4.470 0.001 0.000 0.232 177 S C 1.994 176.566 174.600 -0.047 0.000 1.025 177 S CA 0.713 58.876 58.200 -0.061 0.000 0.993 177 S CB -0.351 62.796 63.200 -0.089 0.000 0.808 177 S HN 0.398 nan 8.310 nan 0.000 0.478 178 I N 1.727 122.287 120.570 -0.017 0.000 2.315 178 I HA -0.093 4.077 4.170 0.001 0.000 0.248 178 I C 2.645 178.767 176.117 0.008 0.000 1.117 178 I CA 1.072 62.368 61.300 -0.007 0.000 1.404 178 I CB -1.888 36.110 38.000 -0.004 0.000 1.071 178 I HN 0.216 nan 8.210 nan 0.000 0.419 179 A N 1.691 124.528 122.820 0.029 0.000 1.855 179 A HA -0.134 4.186 4.320 0.001 0.000 0.215 179 A C 2.237 179.848 177.584 0.046 0.000 1.191 179 A CA 1.300 53.374 52.037 0.061 0.000 0.613 179 A CB -0.539 18.550 19.000 0.149 0.000 0.829 179 A HN 0.246 nan 8.150 nan 0.000 0.442 180 I N 0.634 121.212 120.570 0.014 0.000 2.202 180 I HA -0.177 3.993 4.170 0.001 0.000 0.242 180 I C 1.705 177.841 176.117 0.031 0.000 1.091 180 I CA 1.551 62.847 61.300 -0.007 0.000 1.368 180 I CB -1.789 36.202 38.000 -0.014 0.000 1.058 180 I HN 0.244 nan 8.210 nan 0.000 0.410 181 D N 0.641 121.048 120.400 0.013 0.000 2.218 181 D HA -0.128 4.512 4.640 0.001 0.000 0.204 181 D C 2.169 178.496 176.300 0.045 0.000 0.976 181 D CA 1.310 55.324 54.000 0.024 0.000 0.853 181 D CB -0.192 40.594 40.800 -0.022 0.000 0.939 181 D HN 0.279 nan 8.370 nan 0.000 0.481 182 T N 0.285 114.864 114.554 0.041 0.000 2.857 182 T HA -0.004 4.347 4.350 0.001 0.000 0.266 182 T C 2.160 176.911 174.700 0.084 0.000 1.048 182 T CA 0.414 62.546 62.100 0.053 0.000 1.139 182 T CB -0.021 68.868 68.868 0.035 0.000 0.874 182 T HN 0.167 nan 8.240 nan 0.000 0.455 183 I N 1.080 121.703 120.570 0.088 0.000 2.202 183 I HA -0.128 4.043 4.170 0.001 0.000 0.242 183 I C 2.170 178.414 176.117 0.212 0.000 1.091 183 I CA 0.926 62.309 61.300 0.138 0.000 1.368 183 I CB -0.348 37.688 38.000 0.059 0.000 1.058 183 I HN 0.165 nan 8.210 nan 0.000 0.410 184 I N 0.956 121.609 120.570 0.138 0.000 2.264 184 I HA -0.309 3.861 4.170 0.001 0.000 0.248 184 I C 2.251 178.462 176.117 0.157 0.000 1.111 184 I CA 1.678 63.069 61.300 0.151 0.000 1.382 184 I CB -1.868 36.198 38.000 0.110 0.000 1.060 184 I HN 0.370 nan 8.210 nan 0.000 0.418 185 N N 1.138 119.910 118.700 0.120 0.000 2.149 185 N HA -0.213 4.528 4.740 0.001 0.000 0.188 185 N C 1.714 177.282 175.510 0.097 0.000 1.019 185 N CA 1.192 54.295 53.050 0.089 0.000 0.857 185 N CB 0.027 38.573 38.487 0.098 0.000 0.997 185 N HN 0.278 nan 8.380 nan 0.000 0.426 186 Q N 0.269 120.142 119.800 0.122 0.000 2.436 186 Q HA -0.064 4.277 4.340 0.001 0.000 0.209 186 Q C 1.578 177.425 176.000 -0.255 0.000 0.965 186 Q CA 0.504 56.339 55.803 0.053 0.000 0.910 186 Q CB -0.162 28.526 28.738 -0.083 0.000 0.980 186 Q HN 0.522 nan 8.270 nan 0.000 0.491 187 K N 1.659 121.919 120.400 -0.233 0.000 2.147 187 K HA -0.172 4.149 4.320 0.001 0.000 0.205 187 K C 1.905 178.378 176.600 -0.212 0.000 1.049 187 K CA 1.149 57.294 56.287 -0.237 0.000 0.936 187 K CB 0.097 32.654 32.500 0.096 0.000 0.722 187 K HN 0.227 nan 8.250 nan 0.000 0.446 188 R N -0.843 119.498 120.500 -0.265 0.000 2.241 188 R HA -0.102 4.238 4.340 0.001 0.000 0.224 188 R C 1.428 177.415 176.300 -0.521 0.000 1.101 188 R CA 1.376 57.229 56.100 -0.413 0.000 0.995 188 R CB -0.362 29.610 30.300 -0.547 0.000 0.870 188 R HN 0.107 nan 8.270 nan 0.000 0.463 189 F N 1.019 120.856 119.950 -0.188 0.000 2.383 189 F HA 0.206 4.734 4.527 0.001 0.000 0.287 189 F C 1.781 177.451 175.800 -0.217 0.000 1.069 189 F CA 0.191 58.080 58.000 -0.185 0.000 1.402 189 F CB -0.249 38.634 39.000 -0.196 0.000 1.116 189 F HN -0.049 nan 8.300 nan 0.000 0.549 190 N N 0.268 118.875 118.700 -0.154 0.000 2.457 190 N HA -0.114 4.627 4.740 0.001 0.000 0.180 190 N C 0.766 176.204 175.510 -0.121 0.000 1.050 190 N CA 0.912 53.824 53.050 -0.231 0.000 0.906 190 N CB -0.322 37.874 38.487 -0.486 0.000 0.968 190 N HN 0.243 nan 8.380 nan 0.000 0.445 191 D N 0.473 120.808 120.400 -0.110 0.000 2.277 191 D HA 0.023 4.664 4.640 0.001 0.000 0.208 191 D C 1.235 177.505 176.300 -0.050 0.000 0.962 191 D CA 0.352 54.312 54.000 -0.066 0.000 0.865 191 D CB -0.182 40.572 40.800 -0.078 0.000 0.939 191 D HN 0.166 nan 8.370 nan 0.000 0.510 192 G N -0.620 108.150 108.800 -0.050 0.000 2.616 192 G HA2 0.263 4.224 3.960 0.001 0.000 0.268 192 G HA3 0.263 4.224 3.960 0.001 0.000 0.268 192 G C 1.060 175.959 174.900 -0.002 0.000 1.213 192 G CA 0.310 45.397 45.100 -0.021 0.000 0.926 192 G HN 0.183 nan 8.290 nan 0.000 0.523 193 T N -2.760 111.800 114.554 0.010 0.000 3.014 193 T HA 0.061 4.412 4.350 0.001 0.000 0.250 193 T C 0.714 175.434 174.700 0.032 0.000 1.060 193 T CA 0.346 62.458 62.100 0.021 0.000 1.040 193 T CB 0.148 69.026 68.868 0.018 0.000 0.971 193 T HN 0.392 nan 8.240 nan 0.000 0.497 194 D N 2.555 122.976 120.400 0.034 0.000 2.356 194 D HA 0.033 4.674 4.640 0.001 0.000 0.272 194 D C 1.158 177.491 176.300 0.055 0.000 1.337 194 D CA 0.018 54.045 54.000 0.044 0.000 0.970 194 D CB 0.459 41.287 40.800 0.047 0.000 1.092 194 D HN 0.102 nan 8.370 nan 0.000 0.516 195 E N 2.896 123.134 120.200 0.064 0.000 2.338 195 E HA -0.108 4.243 4.350 0.001 0.000 0.197 195 E C 0.845 177.509 176.600 0.107 0.000 1.007 195 E CA 0.676 57.130 56.400 0.090 0.000 0.849 195 E CB 0.199 29.952 29.700 0.088 0.000 0.774 195 E HN 0.601 nan 8.360 nan 0.000 0.506 196 K N 0.048 120.506 120.400 0.096 0.000 2.387 196 K HA 0.112 4.433 4.320 0.001 0.000 0.198 196 K C 1.395 178.074 176.600 0.132 0.000 1.022 196 K CA 0.073 56.444 56.287 0.141 0.000 1.128 196 K CB 0.615 33.178 32.500 0.104 0.000 0.853 196 K HN -0.128 nan 8.250 nan 0.000 0.523 197 K N 0.854 121.293 120.400 0.065 0.000 2.517 197 K HA 0.125 4.445 4.320 0.001 0.000 0.210 197 K C -0.339 176.186 176.600 -0.126 0.000 1.166 197 K CA -0.011 56.242 56.287 -0.057 0.000 1.030 197 K CB 0.818 33.312 32.500 -0.009 0.000 0.974 197 K HN -0.068 nan 8.250 nan 0.000 0.585 198 K N 0.877 121.257 120.400 -0.034 0.000 2.219 198 K HA 0.222 4.543 4.320 0.001 0.000 0.258 198 K C -0.792 175.696 176.600 -0.187 0.000 1.008 198 K CA -0.267 55.940 56.287 -0.133 0.000 0.928 198 K CB 0.815 33.216 32.500 -0.166 0.000 0.983 198 K HN -0.110 nan 8.250 nan 0.000 0.484 199 L N 2.493 123.514 121.223 -0.336 0.000 2.476 199 L HA 0.318 4.658 4.340 0.001 0.000 0.269 199 L C -1.719 174.951 176.870 -0.333 0.000 0.965 199 L CA -0.367 54.326 54.840 -0.245 0.000 0.845 199 L CB 0.986 42.917 42.059 -0.214 0.000 1.259 199 L HN 0.469 nan 8.230 nan 0.000 0.403 200 Y N 3.000 123.192 120.300 -0.180 0.000 2.310 200 Y HA 0.563 5.113 4.550 0.001 0.000 0.326 200 Y C 0.285 176.061 175.900 -0.208 0.000 1.151 200 Y CA -0.265 57.690 58.100 -0.242 0.000 1.195 200 Y CB 1.296 39.308 38.460 -0.748 0.000 1.210 200 Y HN 0.501 nan 8.280 nan 0.000 0.483 201 C N 3.586 122.932 119.300 0.077 0.000 2.493 201 C HA 0.739 5.199 4.460 0.001 0.000 0.326 201 C C -0.419 174.573 174.990 0.003 0.000 1.200 201 C CA -1.011 58.031 59.018 0.039 0.000 1.739 201 C CB 0.532 28.335 27.740 0.105 0.000 2.300 201 C HN 0.599 nan 8.230 nan 0.000 0.500 202 I N 1.930 122.490 120.570 -0.017 0.000 2.500 202 I HA 0.263 4.434 4.170 0.001 0.000 0.286 202 I C -1.007 175.098 176.117 -0.020 0.000 1.063 202 I CA -0.178 61.112 61.300 -0.017 0.000 1.062 202 I CB 0.992 38.962 38.000 -0.049 0.000 1.223 202 I HN 0.647 nan 8.210 nan 0.000 0.435 203 Y N 7.043 127.285 120.300 -0.097 0.000 2.356 203 Y HA 0.644 5.195 4.550 0.001 0.000 0.334 203 Y C -0.754 175.097 175.900 -0.082 0.000 0.958 203 Y CA -0.793 57.248 58.100 -0.099 0.000 1.196 203 Y CB 1.109 39.529 38.460 -0.066 0.000 1.137 203 Y HN 0.278 nan 8.280 nan 0.000 0.485 204 V N 6.483 126.115 119.914 -0.470 0.000 2.334 204 V HA 0.555 4.675 4.120 0.001 0.000 0.267 204 V C 0.178 176.036 176.094 -0.392 0.000 1.040 204 V CA -0.624 61.495 62.300 -0.301 0.000 0.866 204 V CB 0.510 32.227 31.823 -0.177 0.000 1.019 204 V HN 0.905 nan 8.190 nan 0.000 0.468 205 A N 7.117 129.828 122.820 -0.182 0.000 2.269 205 A HA 0.834 5.155 4.320 0.001 0.000 0.302 205 A C -0.577 176.995 177.584 -0.021 0.000 1.266 205 A CA -0.246 51.747 52.037 -0.074 0.000 0.894 205 A CB -0.064 19.011 19.000 0.125 0.000 1.147 205 A HN 0.748 nan 8.150 nan 0.000 0.537 206 I N 1.402 121.957 120.570 -0.024 0.000 2.466 206 I HA 0.610 4.780 4.170 0.001 0.000 0.289 206 I C 1.061 177.196 176.117 0.031 0.000 1.026 206 I CA 0.211 61.518 61.300 0.012 0.000 1.078 206 I CB 1.955 39.959 38.000 0.006 0.000 1.249 206 I HN 0.944 nan 8.210 nan 0.000 0.429 207 G N 3.304 112.134 108.800 0.049 0.000 2.179 207 G HA2 -0.238 3.723 3.960 0.001 0.000 0.257 207 G HA3 -0.238 3.723 3.960 0.001 0.000 0.257 207 G C 0.174 175.104 174.900 0.049 0.000 1.010 207 G CA 0.079 45.211 45.100 0.053 0.000 0.736 207 G HN 0.637 nan 8.290 nan 0.000 0.513 208 Q N -0.776 119.055 119.800 0.051 0.000 2.199 208 Q HA 0.606 4.946 4.340 0.001 0.000 0.205 208 Q C 0.297 176.328 176.000 0.051 0.000 1.001 208 Q CA -0.727 55.109 55.803 0.055 0.000 1.019 208 Q CB 0.892 29.673 28.738 0.072 0.000 1.132 208 Q HN 0.320 nan 8.270 nan 0.000 0.530 209 K N 0.680 121.110 120.400 0.050 0.000 2.205 209 K HA 0.183 4.504 4.320 0.001 0.000 0.279 209 K C 0.650 177.276 176.600 0.044 0.000 1.027 209 K CA -0.184 56.128 56.287 0.043 0.000 0.932 209 K CB 0.970 33.493 32.500 0.039 0.000 1.032 209 K HN 0.393 nan 8.250 nan 0.000 0.466 210 R N 1.270 121.792 120.500 0.038 0.000 2.152 210 R HA -0.147 4.194 4.340 0.001 0.000 0.232 210 R C 1.648 177.966 176.300 0.029 0.000 1.117 210 R CA 1.882 58.003 56.100 0.035 0.000 0.981 210 R CB 0.016 30.334 30.300 0.030 0.000 0.870 210 R HN 0.807 nan 8.270 nan 0.000 0.451 211 S N -0.992 114.724 115.700 0.027 0.000 2.368 211 S HA -0.104 4.367 4.470 0.001 0.000 0.224 211 S C 1.842 176.456 174.600 0.022 0.000 1.029 211 S CA 1.586 59.798 58.200 0.021 0.000 0.988 211 S CB -0.426 62.786 63.200 0.020 0.000 0.838 211 S HN 0.237 nan 8.310 nan 0.000 0.462 212 T N 2.495 117.069 114.554 0.033 0.000 2.788 212 T HA -0.018 4.332 4.350 0.001 0.000 0.268 212 T C 1.924 176.645 174.700 0.035 0.000 1.044 212 T CA 1.430 63.553 62.100 0.038 0.000 1.139 212 T CB -0.558 68.342 68.868 0.054 0.000 0.867 212 T HN 0.327 nan 8.240 nan 0.000 0.454 213 V N 1.684 121.627 119.914 0.047 0.000 2.323 213 V HA -0.067 4.054 4.120 0.001 0.000 0.244 213 V C 2.934 179.034 176.094 0.010 0.000 1.041 213 V CA 1.474 63.804 62.300 0.049 0.000 1.025 213 V CB -1.289 30.579 31.823 0.075 0.000 0.656 213 V HN 0.502 nan 8.190 nan 0.000 0.451 214 A N -0.482 122.343 122.820 0.009 0.000 1.933 214 A HA -0.267 4.054 4.320 0.001 0.000 0.218 214 A C 2.153 179.724 177.584 -0.020 0.000 1.175 214 A CA 1.824 53.858 52.037 -0.005 0.000 0.628 214 A CB -0.481 18.520 19.000 0.001 0.000 0.814 214 A HN 0.617 nan 8.150 nan 0.000 0.444 215 Q N -1.382 118.407 119.800 -0.017 0.000 2.435 215 Q HA 0.088 4.429 4.340 0.001 0.000 0.207 215 Q C 1.733 177.703 176.000 -0.050 0.000 0.956 215 Q CA 0.561 56.347 55.803 -0.029 0.000 0.917 215 Q CB -0.039 28.691 28.738 -0.013 0.000 0.997 215 Q HN 0.575 nan 8.270 nan 0.000 0.497 216 L N -0.405 120.783 121.223 -0.059 0.000 2.168 216 L HA -0.060 4.280 4.340 0.001 0.000 0.203 216 L C 2.053 178.850 176.870 -0.122 0.000 1.078 216 L CA 0.812 55.590 54.840 -0.105 0.000 0.780 216 L CB -0.097 41.863 42.059 -0.165 0.000 0.939 216 L HN 0.164 nan 8.230 nan 0.000 0.451 217 V N -2.951 116.906 119.914 -0.095 0.000 2.626 217 V HA -0.167 3.954 4.120 0.001 0.000 0.252 217 V C 2.522 178.565 176.094 -0.084 0.000 1.067 217 V CA 1.527 63.774 62.300 -0.089 0.000 1.081 217 V CB -0.944 30.845 31.823 -0.058 0.000 0.686 217 V HN 0.374 nan 8.190 nan 0.000 0.468 218 K N 1.030 121.385 120.400 -0.076 0.000 2.025 218 K HA -0.203 4.118 4.320 0.001 0.000 0.207 218 K C 2.456 178.995 176.600 -0.101 0.000 1.049 218 K CA 2.035 58.276 56.287 -0.076 0.000 0.933 218 K CB -0.270 32.191 32.500 -0.065 0.000 0.714 218 K HN 0.497 nan 8.250 nan 0.000 0.438 219 R N 1.252 121.679 120.500 -0.122 0.000 2.081 219 R HA -0.033 4.307 4.340 0.001 0.000 0.235 219 R C 2.316 178.531 176.300 -0.142 0.000 1.131 219 R CA 1.310 57.308 56.100 -0.170 0.000 0.960 219 R CB -0.714 29.466 30.300 -0.200 0.000 0.856 219 R HN 0.212 nan 8.270 nan 0.000 0.436 220 L N -0.295 120.853 121.223 -0.125 0.000 2.083 220 L HA -0.137 4.203 4.340 0.001 0.000 0.209 220 L C 2.105 178.901 176.870 -0.123 0.000 1.083 220 L CA 1.828 56.591 54.840 -0.128 0.000 0.752 220 L CB -0.577 41.387 42.059 -0.159 0.000 0.899 220 L HN 0.306 nan 8.230 nan 0.000 0.433 221 T N -1.264 113.227 114.554 -0.106 0.000 2.737 221 T HA -0.151 4.200 4.350 0.001 0.000 0.265 221 T C 1.263 175.919 174.700 -0.073 0.000 1.038 221 T CA 1.259 63.308 62.100 -0.086 0.000 1.144 221 T CB -0.246 68.580 68.868 -0.070 0.000 0.866 221 T HN 0.257 nan 8.240 nan 0.000 0.434 222 D N 1.328 121.678 120.400 -0.083 0.000 2.403 222 D HA 0.097 4.737 4.640 0.001 0.000 0.227 222 D C 1.242 177.501 176.300 -0.069 0.000 0.995 222 D CA 0.339 54.292 54.000 -0.078 0.000 0.928 222 D CB -0.117 40.622 40.800 -0.102 0.000 0.887 222 D HN 0.454 nan 8.370 nan 0.000 0.529 223 A N 0.018 122.801 122.820 -0.062 0.000 2.603 223 A HA 0.192 4.512 4.320 0.001 0.000 0.277 223 A C 0.444 178.023 177.584 -0.008 0.000 1.158 223 A CA -0.142 51.876 52.037 -0.032 0.000 0.962 223 A CB 0.341 19.328 19.000 -0.022 0.000 1.189 223 A HN -0.042 nan 8.150 nan 0.000 0.552 224 D N -1.528 118.857 120.400 -0.025 0.000 2.751 224 D HA -0.229 4.411 4.640 0.001 0.000 0.233 224 D C 0.922 177.219 176.300 -0.005 0.000 1.149 224 D CA 1.163 55.160 54.000 -0.004 0.000 0.682 224 D CB -1.044 39.776 40.800 0.033 0.000 1.068 224 D HN 0.592 nan 8.370 nan 0.000 0.429 225 A N -0.658 122.071 122.820 -0.151 0.000 1.973 225 A HA 0.084 4.405 4.320 0.001 0.000 0.210 225 A C 2.117 179.194 177.584 -0.846 0.000 1.200 225 A CA 0.642 52.380 52.037 -0.498 0.000 0.707 225 A CB -0.073 18.769 19.000 -0.264 0.000 0.862 225 A HN 0.307 nan 8.150 nan 0.000 0.461 226 M N 1.309 120.668 119.600 -0.401 0.000 2.195 226 M HA -0.210 4.271 4.480 0.001 0.000 0.260 226 M C 2.047 178.198 176.300 -0.249 0.000 1.066 226 M CA 2.047 57.173 55.300 -0.290 0.000 1.089 226 M CB -0.932 31.576 32.600 -0.153 0.000 1.377 226 M HN 0.704 nan 8.290 nan 0.000 0.411 227 K N 0.261 120.539 120.400 -0.203 0.000 2.281 227 K HA -0.185 4.136 4.320 0.001 0.000 0.203 227 K C 0.858 177.505 176.600 0.079 0.000 1.046 227 K CA 1.626 57.901 56.287 -0.021 0.000 0.938 227 K CB -0.663 31.877 32.500 0.066 0.000 0.737 227 K HN 0.540 nan 8.250 nan 0.000 0.458 228 Y N -0.071 120.257 120.300 0.047 0.000 2.720 228 Y HA 0.467 5.018 4.550 0.001 0.000 0.268 228 Y C -0.683 175.256 175.900 0.065 0.000 1.142 228 Y CA -1.076 57.066 58.100 0.069 0.000 1.193 228 Y CB 0.171 38.590 38.460 -0.069 0.000 1.176 228 Y HN -0.206 nan 8.280 nan 0.000 0.542 229 T N 2.299 116.804 114.554 -0.083 0.000 2.886 229 T HA 0.600 4.951 4.350 0.001 0.000 0.292 229 T C -0.640 174.059 174.700 -0.001 0.000 1.012 229 T CA -0.440 61.618 62.100 -0.070 0.000 0.982 229 T CB 2.049 70.795 68.868 -0.202 0.000 1.018 229 T HN 0.175 nan 8.240 nan 0.000 0.451 230 I N 2.354 122.944 120.570 0.033 0.000 2.404 230 I HA 0.515 4.685 4.170 0.001 0.000 0.293 230 I C -0.606 175.539 176.117 0.047 0.000 0.992 230 I CA -1.119 60.208 61.300 0.045 0.000 1.149 230 I CB 1.835 39.877 38.000 0.070 0.000 1.315 230 I HN 0.272 nan 8.210 nan 0.000 0.446 231 V N 7.033 126.974 119.914 0.046 0.000 2.384 231 V HA 0.354 4.474 4.120 0.001 0.000 0.287 231 V C -0.080 176.048 176.094 0.056 0.000 1.020 231 V CA -0.706 61.641 62.300 0.079 0.000 0.850 231 V CB 1.770 33.636 31.823 0.072 0.000 0.987 231 V HN 0.391 nan 8.190 nan 0.000 0.436 232 V N 3.922 123.865 119.914 0.048 0.000 2.370 232 V HA 0.498 4.619 4.120 0.001 0.000 0.283 232 V C 0.220 176.332 176.094 0.030 0.000 1.023 232 V CA -0.050 62.263 62.300 0.021 0.000 0.857 232 V CB 1.735 33.555 31.823 -0.005 0.000 0.985 232 V HN 0.854 nan 8.190 nan 0.000 0.443 233 S N 3.990 119.711 115.700 0.035 0.000 2.596 233 S HA 0.774 5.244 4.470 0.001 0.000 0.318 233 S C -0.211 174.413 174.600 0.040 0.000 1.097 233 S CA -0.181 58.046 58.200 0.045 0.000 1.080 233 S CB 1.118 64.352 63.200 0.056 0.000 0.991 233 S HN 1.021 nan 8.310 nan 0.000 0.471 234 A N 4.132 126.977 122.820 0.042 0.000 2.893 234 A HA 0.561 4.881 4.320 0.001 0.000 0.333 234 A C 0.415 178.033 177.584 0.057 0.000 1.152 234 A CA -0.600 51.469 52.037 0.054 0.000 0.782 234 A CB -0.031 19.007 19.000 0.064 0.000 1.108 234 A HN 0.833 nan 8.150 nan 0.000 0.469 235 T N -1.351 113.235 114.554 0.054 0.000 2.698 235 T HA 0.478 4.828 4.350 0.001 0.000 0.295 235 T C 1.630 176.362 174.700 0.053 0.000 1.007 235 T CA 0.241 62.373 62.100 0.053 0.000 0.980 235 T CB 0.800 69.697 68.868 0.048 0.000 1.036 235 T HN 1.243 nan 8.240 nan 0.000 0.526 236 A N 1.038 123.887 122.820 0.049 0.000 1.958 236 A HA -0.129 4.192 4.320 0.001 0.000 0.221 236 A C 2.641 180.250 177.584 0.043 0.000 1.178 236 A CA 2.683 54.748 52.037 0.046 0.000 0.642 236 A CB -1.658 17.366 19.000 0.041 0.000 0.816 236 A HN 1.218 nan 8.150 nan 0.000 0.453 237 S N -0.291 115.433 115.700 0.040 0.000 2.428 237 S HA -0.044 4.427 4.470 0.001 0.000 0.230 237 S C 0.538 175.162 174.600 0.040 0.000 1.014 237 S CA 0.360 58.581 58.200 0.035 0.000 0.957 237 S CB -0.438 62.780 63.200 0.031 0.000 0.784 237 S HN 0.560 nan 8.310 nan 0.000 0.499 238 D N 2.414 122.844 120.400 0.050 0.000 2.400 238 D HA 0.411 5.052 4.640 0.001 0.000 0.238 238 D C 0.359 176.700 176.300 0.069 0.000 1.157 238 D CA 0.436 54.474 54.000 0.062 0.000 0.889 238 D CB 0.852 41.696 40.800 0.074 0.000 1.199 238 D HN 0.433 nan 8.370 nan 0.000 0.436 239 A N 1.206 124.072 122.820 0.077 0.000 2.498 239 A HA 0.294 4.614 4.320 0.001 0.000 0.239 239 A C 1.343 178.988 177.584 0.101 0.000 1.068 239 A CA 0.419 52.499 52.037 0.072 0.000 0.766 239 A CB 0.440 19.482 19.000 0.068 0.000 1.003 239 A HN 0.645 nan 8.150 nan 0.000 0.497 240 A N 3.252 126.117 122.820 0.075 0.000 1.917 240 A HA -0.091 4.229 4.320 0.001 0.000 0.219 240 A C -0.298 177.390 177.584 0.174 0.000 1.182 240 A CA 2.220 54.315 52.037 0.097 0.000 0.633 240 A CB -1.556 17.471 19.000 0.044 0.000 0.819 240 A HN 0.644 nan 8.150 nan 0.000 0.448 241 P HA -0.012 nan 4.420 nan 0.000 0.222 241 P C 1.429 179.053 177.300 0.541 0.000 1.153 241 P CA 0.467 63.756 63.100 0.316 0.000 0.798 241 P CB -0.077 31.638 31.700 0.025 0.000 0.796 242 L N -0.477 121.003 121.223 0.429 0.000 2.012 242 L HA -0.245 4.095 4.340 0.001 0.000 0.210 242 L C 2.596 179.612 176.870 0.242 0.000 1.073 242 L CA 1.704 56.756 54.840 0.352 0.000 0.748 242 L CB -0.923 41.274 42.059 0.230 0.000 0.891 242 L HN 0.027 nan 8.230 nan 0.000 0.431 243 Q N -1.292 118.639 119.800 0.220 0.000 2.124 243 Q HA -0.267 4.073 4.340 0.001 0.000 0.202 243 Q C 2.064 178.191 176.000 0.211 0.000 0.977 243 Q CA 1.961 57.868 55.803 0.173 0.000 0.850 243 Q CB -0.394 28.437 28.738 0.155 0.000 0.901 243 Q HN 0.564 nan 8.270 nan 0.000 0.429 244 Y N 1.330 121.747 120.300 0.195 0.000 2.163 244 Y HA -0.209 4.342 4.550 0.001 0.000 0.288 244 Y C 2.011 178.088 175.900 0.295 0.000 1.136 244 Y CA 1.131 59.379 58.100 0.247 0.000 1.147 244 Y CB -0.362 38.284 38.460 0.310 0.000 0.987 244 Y HN 0.067 nan 8.280 nan 0.000 0.509 245 L N 1.081 122.328 121.223 0.041 0.000 2.093 245 L HA -0.014 4.327 4.340 0.001 0.000 0.208 245 L C 2.531 179.392 176.870 -0.015 0.000 1.085 245 L CA 1.897 56.709 54.840 -0.047 0.000 0.755 245 L CB -1.337 40.773 42.059 0.085 0.000 0.904 245 L HN 0.349 nan 8.230 nan 0.000 0.435 246 A N 0.327 123.141 122.820 -0.010 0.000 1.896 246 A HA -0.223 4.098 4.320 0.001 0.000 0.220 246 A C 0.115 177.661 177.584 -0.064 0.000 1.206 246 A CA 2.460 54.480 52.037 -0.027 0.000 0.647 246 A CB -2.202 16.796 19.000 -0.002 0.000 0.828 246 A HN 0.444 nan 8.150 nan 0.000 0.455 247 P HA -0.142 nan 4.420 nan 0.000 0.216 247 P C 0.932 178.149 177.300 -0.138 0.000 1.153 247 P CA 1.341 64.350 63.100 -0.152 0.000 0.848 247 P CB -0.234 31.160 31.700 -0.510 0.000 0.787 248 Y N -0.265 119.994 120.300 -0.069 0.000 2.181 248 Y HA -0.136 4.415 4.550 0.001 0.000 0.288 248 Y C 2.622 178.500 175.900 -0.036 0.000 1.146 248 Y CA 1.303 59.358 58.100 -0.075 0.000 1.164 248 Y CB -1.580 36.782 38.460 -0.164 0.000 0.982 248 Y HN -0.090 nan 8.280 nan 0.000 0.515 249 S N 0.025 115.778 115.700 0.090 0.000 2.359 249 S HA -0.221 4.249 4.470 0.001 0.000 0.222 249 S C 2.417 177.039 174.600 0.037 0.000 1.038 249 S CA 1.519 59.739 58.200 0.033 0.000 1.051 249 S CB -1.185 62.007 63.200 -0.013 0.000 0.944 249 S HN 0.654 nan 8.310 nan 0.000 0.433 250 G N -0.184 108.634 108.800 0.030 0.000 2.471 250 G HA2 -0.209 3.752 3.960 0.001 0.000 0.219 250 G HA3 -0.209 3.752 3.960 0.001 0.000 0.219 250 G C 1.644 176.571 174.900 0.046 0.000 1.125 250 G CA 0.889 46.004 45.100 0.024 0.000 0.775 250 G HN 0.602 nan 8.290 nan 0.000 0.548 251 C N 0.798 120.150 119.300 0.086 0.000 2.429 251 C HA -0.017 4.444 4.460 0.001 0.000 0.277 251 C C 3.196 178.252 174.990 0.111 0.000 1.262 251 C CA 1.742 60.831 59.018 0.120 0.000 1.733 251 C CB -0.895 26.954 27.740 0.182 0.000 2.010 251 C HN 0.359 nan 8.230 nan 0.000 0.483 252 S N 0.843 116.603 115.700 0.101 0.000 2.383 252 S HA -0.133 4.338 4.470 0.001 0.000 0.227 252 S C 1.706 176.376 174.600 0.117 0.000 1.026 252 S CA 1.956 60.212 58.200 0.093 0.000 0.981 252 S CB -0.435 62.803 63.200 0.063 0.000 0.818 252 S HN 0.673 nan 8.310 nan 0.000 0.472 253 M N 1.275 120.940 119.600 0.109 0.000 2.279 253 M HA -0.036 4.444 4.480 0.001 0.000 0.264 253 M C 2.365 178.857 176.300 0.320 0.000 1.062 253 M CA 1.358 56.749 55.300 0.151 0.000 1.099 253 M CB -0.660 32.005 32.600 0.109 0.000 1.394 253 M HN 0.465 nan 8.290 nan 0.000 0.426 254 G N -0.163 108.783 108.800 0.244 0.000 2.395 254 G HA2 -0.145 3.815 3.960 0.001 0.000 0.214 254 G HA3 -0.145 3.815 3.960 0.001 0.000 0.214 254 G C 1.295 176.378 174.900 0.305 0.000 1.177 254 G CA 0.358 45.622 45.100 0.274 0.000 0.794 254 G HN 0.442 nan 8.290 nan 0.000 0.532 255 E N -0.461 119.856 120.200 0.196 0.000 2.219 255 E HA -0.234 4.116 4.350 0.001 0.000 0.198 255 E C 1.933 178.612 176.600 0.131 0.000 0.998 255 E CA 1.023 57.508 56.400 0.141 0.000 0.818 255 E CB -0.259 29.504 29.700 0.105 0.000 0.741 255 E HN 0.627 nan 8.360 nan 0.000 0.477 256 Y N 0.425 120.742 120.300 0.029 0.000 2.128 256 Y HA -0.282 4.269 4.550 0.001 0.000 0.284 256 Y C 1.697 177.480 175.900 -0.195 0.000 1.154 256 Y CA 1.715 59.736 58.100 -0.130 0.000 1.149 256 Y CB -0.512 37.783 38.460 -0.276 0.000 0.976 256 Y HN -0.049 nan 8.280 nan 0.000 0.505 257 F N 0.271 120.063 119.950 -0.263 0.000 2.146 257 F HA -0.107 4.420 4.527 0.001 0.000 0.298 257 F C 2.815 178.461 175.800 -0.257 0.000 1.096 257 F CA 1.773 59.553 58.000 -0.366 0.000 1.275 257 F CB -0.680 38.230 39.000 -0.150 0.000 1.008 257 F HN -0.070 nan 8.300 nan 0.000 0.480 258 R N 0.693 121.232 120.500 0.064 0.000 2.083 258 R HA -0.182 4.159 4.340 0.001 0.000 0.237 258 R C 1.246 177.526 176.300 -0.033 0.000 1.137 258 R CA 2.089 58.201 56.100 0.020 0.000 0.951 258 R CB -0.446 29.889 30.300 0.058 0.000 0.851 258 R HN 0.167 nan 8.270 nan 0.000 0.434 259 D N -0.133 120.233 120.400 -0.057 0.000 2.363 259 D HA -0.035 4.605 4.640 0.001 0.000 0.226 259 D C 0.401 176.627 176.300 -0.123 0.000 1.020 259 D CA 0.556 54.532 54.000 -0.041 0.000 0.892 259 D CB 0.023 40.819 40.800 -0.006 0.000 0.900 259 D HN 0.205 nan 8.370 nan 0.000 0.531 260 N N -0.573 117.981 118.700 -0.243 0.000 2.205 260 N HA 0.148 4.888 4.740 0.001 0.000 0.201 260 N C 1.067 176.457 175.510 -0.199 0.000 1.128 260 N CA 0.431 53.310 53.050 -0.285 0.000 0.867 260 N CB 1.065 39.223 38.487 -0.549 0.000 0.996 260 N HN 0.099 nan 8.380 nan 0.000 0.503 261 G N 0.419 109.123 108.800 -0.161 0.000 2.143 261 G HA2 -0.303 3.657 3.960 0.001 0.000 0.248 261 G HA3 -0.303 3.657 3.960 0.001 0.000 0.248 261 G C 0.122 174.867 174.900 -0.258 0.000 0.991 261 G CA 0.256 45.258 45.100 -0.165 0.000 0.689 261 G HN 0.305 nan 8.290 nan 0.000 0.522 262 K N -0.232 120.027 120.400 -0.235 0.000 2.168 262 K HA 0.611 4.932 4.320 0.001 0.000 0.239 262 K C -0.322 176.121 176.600 -0.261 0.000 0.999 262 K CA -0.904 55.278 56.287 -0.174 0.000 0.900 262 K CB 0.800 33.344 32.500 0.074 0.000 1.111 262 K HN 0.309 nan 8.250 nan 0.000 0.452 263 H N -0.101 119.067 119.070 0.163 0.000 2.481 263 H HA 0.469 5.025 4.556 0.001 0.000 0.333 263 H C -0.797 174.575 175.328 0.074 0.000 1.066 263 H CA -0.597 55.499 56.048 0.080 0.000 1.209 263 H CB 1.777 31.538 29.762 -0.001 0.000 1.445 263 H HN 0.674 nan 8.280 nan 0.000 0.488 264 A N 3.018 125.913 122.820 0.125 0.000 2.386 264 A HA 0.637 4.957 4.320 0.001 0.000 0.308 264 A C -1.228 176.345 177.584 -0.017 0.000 1.128 264 A CA -0.719 51.307 52.037 -0.019 0.000 0.789 264 A CB 1.862 20.811 19.000 -0.086 0.000 1.325 264 A HN 0.483 nan 8.150 nan 0.000 0.437 265 L N 1.097 122.286 121.223 -0.057 0.000 2.409 265 L HA 0.766 5.107 4.340 0.001 0.000 0.272 265 L C -1.270 175.543 176.870 -0.095 0.000 0.980 265 L CA -0.298 54.506 54.840 -0.059 0.000 0.826 265 L CB 1.401 43.435 42.059 -0.041 0.000 1.268 265 L HN 0.704 nan 8.230 nan 0.000 0.407 266 I N 5.401 125.877 120.570 -0.156 0.000 2.474 266 I HA 0.571 4.742 4.170 0.001 0.000 0.294 266 I C -1.182 174.692 176.117 -0.405 0.000 1.005 266 I CA -0.567 60.548 61.300 -0.309 0.000 1.113 266 I CB 1.419 39.160 38.000 -0.431 0.000 1.289 266 I HN 0.657 nan 8.210 nan 0.000 0.436 267 I N 7.726 128.045 120.570 -0.419 0.000 2.410 267 I HA 0.239 4.409 4.170 0.001 0.000 0.286 267 I C -1.312 174.471 176.117 -0.557 0.000 1.009 267 I CA -0.461 60.616 61.300 -0.372 0.000 1.111 267 I CB 1.229 39.169 38.000 -0.099 0.000 1.262 267 I HN 0.411 nan 8.210 nan 0.000 0.443 268 Y N 4.208 124.359 120.300 -0.249 0.000 2.518 268 Y HA 0.315 4.865 4.550 0.001 0.000 0.344 268 Y C 0.028 175.755 175.900 -0.287 0.000 0.982 268 Y CA -0.746 57.180 58.100 -0.290 0.000 1.234 268 Y CB 0.238 38.544 38.460 -0.256 0.000 1.114 268 Y HN 0.389 nan 8.280 nan 0.000 0.515 269 D N 3.593 123.836 120.400 -0.262 0.000 2.461 269 D HA 0.240 4.880 4.640 0.001 0.000 0.240 269 D C -1.161 175.068 176.300 -0.120 0.000 1.094 269 D CA -0.467 53.423 54.000 -0.182 0.000 0.868 269 D CB 0.447 41.133 40.800 -0.190 0.000 1.062 269 D HN 0.696 nan 8.370 nan 0.000 0.530 270 D N 0.687 121.050 120.400 -0.061 0.000 2.559 270 D HA 0.272 4.913 4.640 0.001 0.000 0.250 270 D C 0.883 177.138 176.300 -0.076 0.000 1.135 270 D CA -0.748 53.212 54.000 -0.068 0.000 0.955 270 D CB 1.132 41.899 40.800 -0.054 0.000 1.442 270 D HN 0.117 nan 8.370 nan 0.000 0.471 271 L N -0.043 121.090 121.223 -0.150 0.000 2.313 271 L HA 0.006 4.346 4.340 0.001 0.000 0.214 271 L C 1.866 178.704 176.870 -0.054 0.000 1.119 271 L CA 0.522 55.232 54.840 -0.216 0.000 0.809 271 L CB -0.331 41.333 42.059 -0.660 0.000 0.933 271 L HN 0.421 nan 8.230 nan 0.000 0.449 272 S N 0.124 115.800 115.700 -0.040 0.000 2.402 272 S HA -0.131 4.340 4.470 0.001 0.000 0.229 272 S C 1.923 176.589 174.600 0.110 0.000 1.021 272 S CA 1.215 59.443 58.200 0.046 0.000 0.974 272 S CB -0.014 63.200 63.200 0.022 0.000 0.800 272 S HN 0.392 nan 8.310 nan 0.000 0.484 273 K N 0.866 121.311 120.400 0.075 0.000 2.243 273 K HA 0.072 4.392 4.320 0.001 0.000 0.201 273 K C 2.278 178.948 176.600 0.117 0.000 1.051 273 K CA 0.453 56.793 56.287 0.088 0.000 0.970 273 K CB -0.037 32.498 32.500 0.057 0.000 0.755 273 K HN 0.278 nan 8.250 nan 0.000 0.465 274 Q N 0.586 120.457 119.800 0.118 0.000 2.245 274 Q HA -0.047 4.294 4.340 0.001 0.000 0.201 274 Q C 1.846 177.999 176.000 0.255 0.000 0.955 274 Q CA 0.889 56.790 55.803 0.164 0.000 0.870 274 Q CB 0.117 28.916 28.738 0.102 0.000 0.945 274 Q HN 0.298 nan 8.270 nan 0.000 0.461 275 A N 0.508 123.497 122.820 0.280 0.000 1.855 275 A HA -0.135 4.185 4.320 0.001 0.000 0.215 275 A C 2.158 179.975 177.584 0.388 0.000 1.191 275 A CA 1.700 53.966 52.037 0.382 0.000 0.613 275 A CB -1.030 18.218 19.000 0.412 0.000 0.829 275 A HN 0.370 nan 8.150 nan 0.000 0.442 276 V N -1.992 118.087 119.914 0.276 0.000 2.490 276 V HA -0.113 4.008 4.120 0.001 0.000 0.250 276 V C 2.531 178.679 176.094 0.090 0.000 1.061 276 V CA 1.865 64.236 62.300 0.118 0.000 1.064 276 V CB -1.680 30.193 31.823 0.082 0.000 0.670 276 V HN 0.526 nan 8.190 nan 0.000 0.461 277 A N -0.252 122.657 122.820 0.148 0.000 1.877 277 A HA -0.209 4.111 4.320 0.001 0.000 0.216 277 A C 2.213 179.886 177.584 0.149 0.000 1.186 277 A CA 2.088 54.212 52.037 0.144 0.000 0.620 277 A CB -0.993 18.123 19.000 0.194 0.000 0.822 277 A HN 0.736 nan 8.150 nan 0.000 0.443 278 Y N -0.014 120.345 120.300 0.099 0.000 2.373 278 Y HA -0.059 4.492 4.550 0.001 0.000 0.293 278 Y C 2.458 178.357 175.900 -0.001 0.000 1.129 278 Y CA 1.628 59.753 58.100 0.040 0.000 1.226 278 Y CB -0.228 38.305 38.460 0.121 0.000 1.000 278 Y HN 0.294 nan 8.280 nan 0.000 0.549 279 R N 0.141 120.649 120.500 0.014 0.000 2.092 279 R HA -0.198 4.142 4.340 0.001 0.000 0.231 279 R C 2.399 178.589 176.300 -0.183 0.000 1.119 279 R CA 1.607 57.627 56.100 -0.134 0.000 0.970 279 R CB -0.256 29.883 30.300 -0.267 0.000 0.864 279 R HN 0.500 nan 8.270 nan 0.000 0.440 280 Q N 0.251 119.973 119.800 -0.130 0.000 2.061 280 Q HA -0.218 4.122 4.340 0.001 0.000 0.204 280 Q C 2.056 177.957 176.000 -0.165 0.000 0.984 280 Q CA 1.998 57.730 55.803 -0.119 0.000 0.846 280 Q CB -0.037 28.662 28.738 -0.065 0.000 0.902 280 Q HN 0.376 nan 8.270 nan 0.000 0.421 281 M N -0.330 119.134 119.600 -0.226 0.000 2.080 281 M HA -0.182 4.299 4.480 0.001 0.000 0.260 281 M C 2.367 178.462 176.300 -0.342 0.000 1.068 281 M CA 1.695 56.815 55.300 -0.300 0.000 1.109 281 M CB -0.045 32.307 32.600 -0.413 0.000 1.342 281 M HN 0.131 nan 8.290 nan 0.000 0.405 282 S N 0.494 115.916 115.700 -0.462 0.000 2.382 282 S HA -0.058 4.413 4.470 0.001 0.000 0.228 282 S C 1.805 176.284 174.600 -0.201 0.000 1.027 282 S CA 1.065 59.047 58.200 -0.364 0.000 0.991 282 S CB -0.325 62.639 63.200 -0.393 0.000 0.823 282 S HN 0.371 nan 8.310 nan 0.000 0.469 283 L N 0.660 121.778 121.223 -0.175 0.000 2.179 283 L HA 0.045 4.386 4.340 0.001 0.000 0.208 283 L C 2.081 178.889 176.870 -0.103 0.000 1.096 283 L CA 0.691 55.459 54.840 -0.119 0.000 0.779 283 L CB -0.367 41.626 42.059 -0.110 0.000 0.922 283 L HN 0.266 nan 8.230 nan 0.000 0.443 284 L N -0.637 120.516 121.223 -0.117 0.000 2.093 284 L HA -0.199 4.141 4.340 0.001 0.000 0.208 284 L C 2.293 179.107 176.870 -0.093 0.000 1.085 284 L CA 1.033 55.815 54.840 -0.097 0.000 0.755 284 L CB -0.247 41.752 42.059 -0.100 0.000 0.904 284 L HN 0.252 nan 8.230 nan 0.000 0.435 285 L N -0.779 120.375 121.223 -0.115 0.000 2.465 285 L HA -0.052 4.288 4.340 0.001 0.000 0.224 285 L C 0.929 177.755 176.870 -0.074 0.000 1.145 285 L CA 0.476 55.257 54.840 -0.098 0.000 0.834 285 L CB -0.091 41.894 42.059 -0.123 0.000 0.944 285 L HN 0.274 nan 8.230 nan 0.000 0.451 286 R N -0.610 119.846 120.500 -0.074 0.000 3.762 286 R HA -0.128 4.212 4.340 0.001 0.000 0.328 286 R C -0.024 176.247 176.300 -0.047 0.000 1.164 286 R CA 0.255 56.323 56.100 -0.054 0.000 0.861 286 R CB -1.671 28.604 30.300 -0.041 0.000 1.408 286 R HN 0.317 nan 8.270 nan 0.000 0.502 287 R N 1.353 121.818 120.500 -0.058 0.000 2.438 287 R HA 0.152 4.493 4.340 0.001 0.000 0.287 287 R C -2.118 174.167 176.300 -0.026 0.000 1.077 287 R CA -1.671 54.406 56.100 -0.039 0.000 1.034 287 R CB 0.357 30.628 30.300 -0.048 0.000 0.993 287 R HN -0.166 nan 8.270 nan 0.000 0.459 288 P HA -0.061 nan 4.420 nan 0.000 0.253 288 P C -2.256 175.051 177.300 0.012 0.000 1.159 288 P CA -0.418 62.682 63.100 0.000 0.000 0.779 288 P CB -0.076 31.629 31.700 0.008 0.000 0.745 289 P HA 0.100 nan 4.420 nan 0.000 0.271 289 P C 0.495 177.812 177.300 0.029 0.000 1.226 289 P CA 0.329 63.437 63.100 0.013 0.000 0.765 289 P CB 1.222 32.916 31.700 -0.010 0.000 0.835 290 G N 3.503 112.342 108.800 0.065 0.000 3.434 290 G HA2 0.222 4.183 3.960 0.001 0.000 0.197 290 G HA3 0.222 4.183 3.960 0.001 0.000 0.197 290 G C -0.314 174.606 174.900 0.034 0.000 1.559 290 G CA -0.548 44.580 45.100 0.046 0.000 0.852 290 G HN 0.505 nan 8.290 nan 0.000 0.682 291 R N 0.853 121.338 120.500 -0.024 0.000 2.449 291 R HA 0.200 4.540 4.340 0.001 0.000 0.296 291 R C -0.038 176.371 176.300 0.181 0.000 1.047 291 R CA 0.512 56.550 56.100 -0.103 0.000 1.018 291 R CB -0.166 29.753 30.300 -0.634 0.000 0.962 291 R HN 0.627 nan 8.270 nan 0.000 0.428 292 E N 3.058 123.362 120.200 0.173 0.000 2.494 292 E HA -0.342 4.008 4.350 0.001 0.000 0.249 292 E C 0.328 177.050 176.600 0.203 0.000 1.184 292 E CA 0.513 57.076 56.400 0.272 0.000 0.727 292 E CB -1.082 28.909 29.700 0.484 0.000 1.281 292 E HN 0.893 nan 8.360 nan 0.000 0.405 293 A N -2.341 120.542 122.820 0.105 0.000 3.413 293 A HA -0.318 4.003 4.320 0.001 0.000 0.268 293 A C 0.103 177.687 177.584 0.001 0.000 1.128 293 A CA 1.797 53.838 52.037 0.008 0.000 1.062 293 A CB -1.985 16.970 19.000 -0.075 0.000 1.121 293 A HN 0.457 nan 8.150 nan 0.000 0.895 294 Y N 1.056 121.445 120.300 0.149 0.000 2.346 294 Y HA 0.414 4.964 4.550 0.001 0.000 0.330 294 Y C -1.213 174.800 175.900 0.189 0.000 1.178 294 Y CA -1.048 57.171 58.100 0.199 0.000 1.331 294 Y CB 0.425 39.082 38.460 0.329 0.000 1.253 294 Y HN 0.256 nan 8.280 nan 0.000 0.529 295 P HA 0.004 nan 4.420 nan 0.000 0.272 295 P C 0.603 178.079 177.300 0.293 0.000 1.240 295 P CA 0.047 63.285 63.100 0.230 0.000 0.791 295 P CB 0.849 32.658 31.700 0.183 0.000 0.978 296 G N 1.212 110.141 108.800 0.214 0.000 2.501 296 G HA2 -0.205 3.756 3.960 0.001 0.000 0.220 296 G HA3 -0.205 3.756 3.960 0.001 0.000 0.220 296 G C 0.547 175.588 174.900 0.234 0.000 1.114 296 G CA 0.598 45.819 45.100 0.202 0.000 0.757 296 G HN 0.647 nan 8.290 nan 0.000 0.559 297 D N 0.377 120.940 120.400 0.273 0.000 2.559 297 D HA 0.041 4.681 4.640 0.001 0.000 0.234 297 D C 1.883 178.321 176.300 0.230 0.000 1.226 297 D CA 0.134 54.307 54.000 0.287 0.000 0.830 297 D CB -0.156 40.823 40.800 0.298 0.000 1.028 297 D HN 0.278 nan 8.370 nan 0.000 0.492 298 V N -2.969 117.066 119.914 0.201 0.000 3.041 298 V HA 0.022 4.143 4.120 0.001 0.000 0.260 298 V C 2.035 178.032 176.094 -0.161 0.000 1.105 298 V CA 0.459 62.747 62.300 -0.020 0.000 1.125 298 V CB -1.254 30.576 31.823 0.012 0.000 0.730 298 V HN 0.106 nan 8.190 nan 0.000 0.479 299 F N 0.596 120.488 119.950 -0.096 0.000 2.163 299 F HA -0.034 4.494 4.527 0.001 0.000 0.297 299 F C 2.291 178.099 175.800 0.014 0.000 1.094 299 F CA 1.668 59.637 58.000 -0.053 0.000 1.290 299 F CB -0.303 38.715 39.000 0.030 0.000 1.017 299 F HN 0.178 nan 8.300 nan 0.000 0.483 300 Y N 0.538 120.895 120.300 0.095 0.000 2.242 300 Y HA -0.182 4.369 4.550 0.001 0.000 0.291 300 Y C 2.158 177.978 175.900 -0.135 0.000 1.137 300 Y CA 1.522 59.633 58.100 0.018 0.000 1.181 300 Y CB -0.860 37.652 38.460 0.087 0.000 0.989 300 Y HN 0.178 nan 8.280 nan 0.000 0.527 301 L N -0.150 120.920 121.223 -0.255 0.000 2.051 301 L HA -0.305 4.036 4.340 0.001 0.000 0.214 301 L C 1.966 178.641 176.870 -0.325 0.000 1.076 301 L CA 2.435 57.041 54.840 -0.390 0.000 0.758 301 L CB -0.637 41.068 42.059 -0.591 0.000 0.890 301 L HN 0.385 nan 8.230 nan 0.000 0.433 302 H N -2.673 116.217 119.070 -0.299 0.000 2.575 302 H HA 0.093 4.650 4.556 0.001 0.000 0.267 302 H C 2.194 177.280 175.328 -0.403 0.000 0.966 302 H CA 0.486 56.312 56.048 -0.370 0.000 1.165 302 H CB 0.231 29.768 29.762 -0.375 0.000 1.433 302 H HN 0.462 nan 8.280 nan 0.000 0.544 303 S N 1.501 116.990 115.700 -0.351 0.000 2.348 303 S HA -0.177 4.293 4.470 0.001 0.000 0.219 303 S C 2.114 176.595 174.600 -0.197 0.000 1.033 303 S CA 0.668 58.670 58.200 -0.330 0.000 0.974 303 S CB -0.167 62.858 63.200 -0.292 0.000 0.868 303 S HN 0.517 nan 8.310 nan 0.000 0.459 304 R N 0.818 121.160 120.500 -0.263 0.000 2.152 304 R HA 0.101 4.442 4.340 0.001 0.000 0.232 304 R C 2.268 178.508 176.300 -0.101 0.000 1.117 304 R CA 1.247 57.218 56.100 -0.215 0.000 0.981 304 R CB -0.707 29.334 30.300 -0.432 0.000 0.870 304 R HN 0.467 nan 8.270 nan 0.000 0.451 305 L N 0.863 122.033 121.223 -0.088 0.000 2.068 305 L HA 0.071 4.411 4.340 0.001 0.000 0.204 305 L C 2.023 178.829 176.870 -0.107 0.000 1.076 305 L CA 1.413 56.203 54.840 -0.084 0.000 0.753 305 L CB -0.088 41.788 42.059 -0.305 0.000 0.910 305 L HN 0.180 nan 8.230 nan 0.000 0.439 306 L N -0.566 120.569 121.223 -0.147 0.000 2.418 306 L HA -0.005 4.336 4.340 0.001 0.000 0.218 306 L C 2.373 179.218 176.870 -0.041 0.000 1.125 306 L CA 0.182 54.969 54.840 -0.089 0.000 0.835 306 L CB -0.496 41.483 42.059 -0.133 0.000 0.953 306 L HN 0.274 nan 8.230 nan 0.000 0.454 307 E N 0.668 120.840 120.200 -0.047 0.000 2.150 307 E HA -0.173 4.177 4.350 0.001 0.000 0.193 307 E C 2.084 178.679 176.600 -0.007 0.000 0.985 307 E CA 0.895 57.281 56.400 -0.023 0.000 0.814 307 E CB -0.028 29.660 29.700 -0.019 0.000 0.752 307 E HN 0.482 nan 8.360 nan 0.000 0.466 308 R N 0.586 121.089 120.500 0.005 0.000 2.285 308 R HA 0.048 4.389 4.340 0.001 0.000 0.213 308 R C 0.780 177.103 176.300 0.038 0.000 1.068 308 R CA 0.420 56.535 56.100 0.026 0.000 1.004 308 R CB -0.001 30.328 30.300 0.048 0.000 0.873 308 R HN -0.070 nan 8.270 nan 0.000 0.467 309 A N 1.248 124.091 122.820 0.038 0.000 2.302 309 A HA 0.639 4.960 4.320 0.001 0.000 0.295 309 A C -0.289 177.303 177.584 0.013 0.000 1.235 309 A CA -0.175 51.883 52.037 0.034 0.000 0.876 309 A CB 0.512 19.536 19.000 0.040 0.000 1.133 309 A HN 0.263 nan 8.150 nan 0.000 0.533 310 A N 2.509 125.337 122.820 0.013 0.000 2.606 310 A HA 0.735 5.055 4.320 0.001 0.000 0.293 310 A C -0.823 176.766 177.584 0.008 0.000 1.082 310 A CA -0.777 51.258 52.037 -0.003 0.000 0.685 310 A CB 1.260 20.245 19.000 -0.024 0.000 1.284 310 A HN 0.777 nan 8.150 nan 0.000 0.408 311 K N 2.079 122.479 120.400 0.000 0.000 2.389 311 K HA 0.544 4.865 4.320 0.001 0.000 0.261 311 K C -0.559 176.041 176.600 0.001 0.000 1.014 311 K CA -0.389 55.908 56.287 0.018 0.000 0.920 311 K CB 0.280 32.790 32.500 0.016 0.000 1.149 311 K HN 0.608 nan 8.250 nan 0.000 0.444 312 M N 2.894 122.502 119.600 0.013 0.000 2.238 312 M HA 0.155 4.635 4.480 0.001 0.000 0.347 312 M C 0.338 176.664 176.300 0.044 0.000 1.173 312 M CA -0.440 54.859 55.300 -0.001 0.000 1.147 312 M CB -0.222 32.405 32.600 0.045 0.000 1.547 312 M HN 0.703 nan 8.290 nan 0.000 0.455 313 N N 1.069 119.796 118.700 0.046 0.000 2.354 313 N HA 0.028 4.769 4.740 0.001 0.000 0.246 313 N C 0.168 175.749 175.510 0.118 0.000 1.285 313 N CA -0.196 52.901 53.050 0.078 0.000 0.925 313 N CB 0.575 39.107 38.487 0.075 0.000 1.174 313 N HN 0.436 nan 8.380 nan 0.000 0.478 314 D N -0.084 120.369 120.400 0.087 0.000 2.123 314 D HA -0.172 4.468 4.640 0.001 0.000 0.196 314 D C 1.846 178.191 176.300 0.074 0.000 0.992 314 D CA 1.849 55.892 54.000 0.071 0.000 0.833 314 D CB -0.764 40.065 40.800 0.048 0.000 0.954 314 D HN 0.717 nan 8.370 nan 0.000 0.455 315 A N -0.219 122.657 122.820 0.092 0.000 1.986 315 A HA -0.187 4.133 4.320 0.001 0.000 0.220 315 A C 1.980 179.576 177.584 0.020 0.000 1.171 315 A CA 1.068 53.139 52.037 0.058 0.000 0.640 315 A CB -0.922 18.128 19.000 0.083 0.000 0.811 315 A HN 0.239 nan 8.150 nan 0.000 0.451 316 F N -1.453 118.491 119.950 -0.009 0.000 2.789 316 F HA 0.312 4.840 4.527 0.001 0.000 0.300 316 F C 1.869 177.652 175.800 -0.029 0.000 1.132 316 F CA 1.034 59.025 58.000 -0.016 0.000 1.404 316 F CB 0.585 39.579 39.000 -0.010 0.000 1.114 316 F HN 0.403 nan 8.300 nan 0.000 0.584 317 G N -1.070 107.790 108.800 0.099 0.000 2.296 317 G HA2 -0.059 3.901 3.960 0.001 0.000 0.188 317 G HA3 -0.059 3.901 3.960 0.001 0.000 0.188 317 G C 0.938 175.847 174.900 0.015 0.000 1.000 317 G CA -0.321 44.794 45.100 0.025 0.000 0.672 317 G HN 0.821 nan 8.290 nan 0.000 0.483 318 G N -0.207 108.626 108.800 0.055 0.000 2.221 318 G HA2 0.259 4.219 3.960 0.001 0.000 0.265 318 G HA3 0.259 4.219 3.960 0.001 0.000 0.265 318 G C 0.964 175.869 174.900 0.008 0.000 1.041 318 G CA 1.053 46.188 45.100 0.057 0.000 0.807 318 G HN 1.935 nan 8.290 nan 0.000 0.502 319 G N -0.620 108.161 108.800 -0.032 0.000 2.389 319 G HA2 0.792 4.752 3.960 0.001 0.000 0.317 319 G HA3 0.792 4.752 3.960 0.001 0.000 0.317 319 G C 0.064 174.989 174.900 0.042 0.000 1.137 319 G CA 0.501 45.529 45.100 -0.119 0.000 0.870 319 G HN 1.609 nan 8.290 nan 0.000 0.496 320 S N 0.590 116.376 115.700 0.145 0.000 2.557 320 S HA 0.603 5.073 4.470 0.001 0.000 0.291 320 S C -1.162 173.513 174.600 0.125 0.000 1.116 320 S CA -0.807 57.494 58.200 0.169 0.000 0.992 320 S CB 1.924 65.257 63.200 0.222 0.000 1.028 320 S HN 0.613 nan 8.310 nan 0.000 0.484 321 L N 3.083 124.351 121.223 0.075 0.000 2.287 321 L HA 0.648 4.989 4.340 0.001 0.000 0.287 321 L C -0.503 176.384 176.870 0.028 0.000 1.022 321 L CA 0.308 55.181 54.840 0.055 0.000 0.814 321 L CB 1.403 43.497 42.059 0.058 0.000 1.217 321 L HN 0.936 nan 8.230 nan 0.000 0.420 322 T N 4.534 119.092 114.554 0.007 0.000 2.779 322 T HA 0.802 5.152 4.350 0.001 0.000 0.280 322 T C -0.319 174.363 174.700 -0.031 0.000 0.987 322 T CA -0.450 61.642 62.100 -0.014 0.000 0.966 322 T CB 1.411 70.261 68.868 -0.030 0.000 0.933 322 T HN 0.751 nan 8.240 nan 0.000 0.442 323 A N 3.568 126.377 122.820 -0.018 0.000 2.318 323 A HA 0.781 5.101 4.320 0.001 0.000 0.324 323 A C -0.497 177.073 177.584 -0.022 0.000 1.170 323 A CA -0.762 51.266 52.037 -0.015 0.000 0.810 323 A CB 0.507 19.558 19.000 0.084 0.000 1.198 323 A HN 0.880 nan 8.150 nan 0.000 0.484 324 L N 4.829 126.021 121.223 -0.052 0.000 2.408 324 L HA 0.351 4.691 4.340 0.001 0.000 0.257 324 L C -2.387 174.471 176.870 -0.019 0.000 1.053 324 L CA -1.681 53.134 54.840 -0.041 0.000 0.922 324 L CB 1.718 43.749 42.059 -0.047 0.000 1.261 324 L HN 0.500 nan 8.230 nan 0.000 0.458 325 P HA 0.275 nan 4.420 nan 0.000 0.281 325 P C -0.624 176.637 177.300 -0.065 0.000 1.249 325 P CA -0.343 62.778 63.100 0.035 0.000 0.810 325 P CB 2.344 34.025 31.700 -0.031 0.000 1.008 326 V N 3.520 123.387 119.914 -0.078 0.000 2.581 326 V HA 0.468 4.589 4.120 0.001 0.000 0.303 326 V C 0.255 176.280 176.094 -0.115 0.000 1.041 326 V CA -0.603 61.644 62.300 -0.088 0.000 0.907 326 V CB 1.709 33.497 31.823 -0.058 0.000 0.994 326 V HN 0.415 nan 8.190 nan 0.000 0.442 327 I N 2.975 123.481 120.570 -0.107 0.000 2.569 327 I HA 0.389 4.560 4.170 0.001 0.000 0.290 327 I C -0.204 175.878 176.117 -0.059 0.000 1.088 327 I CA -0.371 60.870 61.300 -0.098 0.000 1.047 327 I CB 2.128 40.055 38.000 -0.122 0.000 1.237 327 I HN 0.763 nan 8.210 nan 0.000 0.421 328 E N 5.650 125.830 120.200 -0.034 0.000 2.035 328 E HA 0.310 4.661 4.350 0.001 0.000 0.271 328 E C -0.448 176.155 176.600 0.005 0.000 0.953 328 E CA -0.328 56.065 56.400 -0.013 0.000 0.777 328 E CB 0.896 30.595 29.700 -0.002 0.000 1.104 328 E HN 0.696 nan 8.360 nan 0.000 0.408 329 T N 1.888 116.449 114.554 0.011 0.000 2.868 329 T HA 0.191 4.542 4.350 0.001 0.000 0.292 329 T C 0.267 174.983 174.700 0.026 0.000 1.028 329 T CA -0.817 61.300 62.100 0.029 0.000 1.059 329 T CB 1.296 70.194 68.868 0.049 0.000 0.991 329 T HN 0.340 nan 8.240 nan 0.000 0.531 330 Q N 0.776 120.596 119.800 0.034 0.000 2.368 330 Q HA 0.491 4.832 4.340 0.001 0.000 0.256 330 Q C 0.564 176.576 176.000 0.020 0.000 0.980 330 Q CA -0.041 55.779 55.803 0.027 0.000 0.887 330 Q CB 1.104 29.865 28.738 0.039 0.000 1.221 330 Q HN 1.171 nan 8.270 nan 0.000 0.458 331 A N 2.484 125.307 122.820 0.005 0.000 2.822 331 A HA -0.174 4.146 4.320 0.001 0.000 0.287 331 A C 1.119 178.705 177.584 0.003 0.000 1.479 331 A CA 1.384 53.418 52.037 -0.005 0.000 0.779 331 A CB -2.099 16.898 19.000 -0.005 0.000 1.022 331 A HN 1.460 nan 8.150 nan 0.000 0.532 332 G N -1.423 107.386 108.800 0.015 0.000 2.159 332 G HA2 -0.185 3.775 3.960 0.001 0.000 0.256 332 G HA3 -0.185 3.775 3.960 0.001 0.000 0.256 332 G C -0.055 174.865 174.900 0.033 0.000 0.977 332 G CA 0.994 46.109 45.100 0.025 0.000 0.652 332 G HN 1.670 nan 8.290 nan 0.000 0.531 333 D N 0.940 121.363 120.400 0.037 0.000 2.416 333 D HA 0.401 5.041 4.640 0.001 0.000 0.240 333 D C 1.895 178.234 176.300 0.065 0.000 1.250 333 D CA 0.447 54.472 54.000 0.043 0.000 0.967 333 D CB 0.571 41.396 40.800 0.042 0.000 1.059 333 D HN 0.559 nan 8.370 nan 0.000 0.512 334 V N 1.021 120.980 119.914 0.075 0.000 2.871 334 V HA -0.047 4.074 4.120 0.001 0.000 0.256 334 V C 1.872 178.023 176.094 0.096 0.000 1.082 334 V CA 0.747 63.118 62.300 0.118 0.000 1.105 334 V CB -0.343 31.584 31.823 0.174 0.000 0.713 334 V HN 0.298 nan 8.190 nan 0.000 0.473 335 S N 0.941 116.683 115.700 0.070 0.000 2.515 335 S HA 0.345 4.816 4.470 0.001 0.000 0.231 335 S C 1.355 176.007 174.600 0.085 0.000 0.987 335 S CA 0.554 58.795 58.200 0.069 0.000 0.936 335 S CB -0.481 62.747 63.200 0.047 0.000 0.766 335 S HN 0.903 nan 8.310 nan 0.000 0.528 336 A N 0.917 123.789 122.820 0.087 0.000 2.536 336 A HA 0.146 4.467 4.320 0.001 0.000 0.234 336 A C 0.979 178.654 177.584 0.152 0.000 1.076 336 A CA -0.093 52.010 52.037 0.110 0.000 0.769 336 A CB -0.219 18.837 19.000 0.093 0.000 1.020 336 A HN 0.336 nan 8.150 nan 0.000 0.508 337 Y N 1.560 121.864 120.300 0.007 0.000 2.053 337 Y HA -0.242 4.309 4.550 0.001 0.000 0.277 337 Y C 1.949 177.823 175.900 -0.044 0.000 1.159 337 Y CA 2.310 60.401 58.100 -0.015 0.000 1.125 337 Y CB -0.299 38.143 38.460 -0.030 0.000 0.969 337 Y HN 0.519 nan 8.280 nan 0.000 0.492 338 I N 0.442 120.884 120.570 -0.213 0.000 2.202 338 I HA -0.177 3.993 4.170 0.001 0.000 0.242 338 I C -0.355 175.673 176.117 -0.149 0.000 1.091 338 I CA 1.279 62.376 61.300 -0.339 0.000 1.368 338 I CB -2.875 34.916 38.000 -0.349 0.000 1.058 338 I HN 0.173 nan 8.210 nan 0.000 0.410 339 P HA -0.129 nan 4.420 nan 0.000 0.215 339 P C 1.858 179.162 177.300 0.007 0.000 1.157 339 P CA 2.368 65.453 63.100 -0.026 0.000 0.868 339 P CB -0.299 31.415 31.700 0.023 0.000 0.788 340 T N -2.946 111.639 114.554 0.051 0.000 2.720 340 T HA -0.191 4.160 4.350 0.001 0.000 0.268 340 T C 1.683 176.439 174.700 0.094 0.000 1.037 340 T CA 1.534 63.686 62.100 0.088 0.000 1.144 340 T CB -1.295 67.647 68.868 0.123 0.000 0.864 340 T HN -0.017 nan 8.240 nan 0.000 0.444 341 N N 1.602 120.347 118.700 0.074 0.000 2.018 341 N HA -0.077 4.664 4.740 0.001 0.000 0.196 341 N C 2.001 177.533 175.510 0.036 0.000 1.043 341 N CA 1.488 54.618 53.050 0.133 0.000 0.856 341 N CB -1.026 37.482 38.487 0.036 0.000 1.042 341 N HN 0.383 nan 8.380 nan 0.000 0.423 342 V N 1.822 121.702 119.914 -0.057 0.000 2.515 342 V HA -0.130 3.991 4.120 0.001 0.000 0.250 342 V C 2.189 178.239 176.094 -0.074 0.000 1.058 342 V CA 0.869 63.098 62.300 -0.119 0.000 1.064 342 V CB -0.503 31.204 31.823 -0.193 0.000 0.675 342 V HN 0.239 nan 8.190 nan 0.000 0.461 343 I N 1.665 122.220 120.570 -0.024 0.000 2.264 343 I HA -0.182 3.989 4.170 0.001 0.000 0.248 343 I C 2.462 178.600 176.117 0.034 0.000 1.111 343 I CA 2.237 63.541 61.300 0.006 0.000 1.382 343 I CB -1.317 36.719 38.000 0.059 0.000 1.060 343 I HN 0.586 nan 8.210 nan 0.000 0.418 344 S N 0.008 115.753 115.700 0.075 0.000 2.593 344 S HA 0.137 4.608 4.470 0.001 0.000 0.217 344 S C 1.589 176.254 174.600 0.107 0.000 0.966 344 S CA -0.077 58.199 58.200 0.127 0.000 0.914 344 S CB -0.062 63.271 63.200 0.222 0.000 0.776 344 S HN 0.271 nan 8.310 nan 0.000 0.523 345 I N 2.193 122.763 120.570 -0.001 0.000 2.685 345 I HA 0.081 4.251 4.170 0.001 0.000 0.251 345 I C 1.467 177.554 176.117 -0.049 0.000 1.102 345 I CA 0.821 62.077 61.300 -0.073 0.000 1.442 345 I CB -1.786 36.097 38.000 -0.196 0.000 1.194 345 I HN 0.416 nan 8.210 nan 0.000 0.448 346 T N -0.344 114.176 114.554 -0.058 0.000 2.828 346 T HA 0.134 4.484 4.350 0.001 0.000 0.290 346 T C 0.359 175.042 174.700 -0.028 0.000 1.019 346 T CA -0.405 61.663 62.100 -0.053 0.000 1.031 346 T CB 1.209 70.032 68.868 -0.076 0.000 1.001 346 T HN 0.085 nan 8.240 nan 0.000 0.531 347 D N 0.832 121.217 120.400 -0.026 0.000 2.538 347 D HA 0.398 5.039 4.640 0.001 0.000 0.234 347 D C 0.883 177.175 176.300 -0.015 0.000 1.191 347 D CA 0.266 54.258 54.000 -0.013 0.000 0.828 347 D CB -0.311 40.482 40.800 -0.011 0.000 0.981 347 D HN 0.996 nan 8.370 nan 0.000 0.490 348 G N 0.300 109.085 108.800 -0.025 0.000 2.333 348 G HA2 0.185 4.145 3.960 0.001 0.000 0.330 348 G HA3 0.185 4.145 3.960 0.001 0.000 0.330 348 G C -1.647 173.204 174.900 -0.080 0.000 1.465 348 G CA -1.003 44.079 45.100 -0.029 0.000 0.996 348 G HN 0.024 nan 8.290 nan 0.000 0.655 349 Q N -1.069 118.667 119.800 -0.107 0.000 2.451 349 Q HA 0.823 5.163 4.340 0.001 0.000 0.281 349 Q C -0.497 175.348 176.000 -0.258 0.000 1.099 349 Q CA -0.639 54.999 55.803 -0.275 0.000 0.806 349 Q CB 2.823 31.242 28.738 -0.532 0.000 1.419 349 Q HN 0.631 nan 8.270 nan 0.000 0.427 350 I N 1.864 122.224 120.570 -0.350 0.000 2.439 350 I HA 0.400 4.571 4.170 0.001 0.000 0.285 350 I C -1.200 174.736 176.117 -0.302 0.000 1.021 350 I CA -0.524 60.655 61.300 -0.202 0.000 1.091 350 I CB 0.897 38.843 38.000 -0.090 0.000 1.242 350 I HN 0.452 nan 8.210 nan 0.000 0.439 351 F N 6.393 126.346 119.950 0.004 0.000 2.394 351 F HA 0.495 5.022 4.527 0.001 0.000 0.340 351 F C 0.062 175.869 175.800 0.011 0.000 1.105 351 F CA -0.566 57.436 58.000 0.004 0.000 1.124 351 F CB 1.098 40.102 39.000 0.006 0.000 1.145 351 F HN 0.173 nan 8.300 nan 0.000 0.505 352 L N 3.441 124.767 121.223 0.172 0.000 2.384 352 L HA 0.333 4.673 4.340 0.001 0.000 0.261 352 L C -0.284 176.651 176.870 0.108 0.000 1.024 352 L CA -0.454 54.453 54.840 0.112 0.000 0.899 352 L CB 0.870 42.951 42.059 0.038 0.000 1.243 352 L HN 0.604 nan 8.230 nan 0.000 0.449 353 E N 0.955 121.230 120.200 0.125 0.000 2.344 353 E HA 0.045 4.396 4.350 0.001 0.000 0.270 353 E C 0.591 177.264 176.600 0.122 0.000 1.021 353 E CA -0.123 56.336 56.400 0.098 0.000 0.887 353 E CB 1.402 31.149 29.700 0.079 0.000 0.997 353 E HN 0.492 nan 8.360 nan 0.000 0.429 354 T N 2.535 117.137 114.554 0.080 0.000 2.915 354 T HA -0.116 4.235 4.350 0.001 0.000 0.269 354 T C 1.119 175.916 174.700 0.161 0.000 1.071 354 T CA 0.742 62.903 62.100 0.101 0.000 1.132 354 T CB 0.077 68.904 68.868 -0.068 0.000 0.878 354 T HN 0.357 nan 8.240 nan 0.000 0.479 355 E N 0.750 121.011 120.200 0.100 0.000 2.418 355 E HA 0.106 4.457 4.350 0.001 0.000 0.197 355 E C 1.846 178.519 176.600 0.122 0.000 1.026 355 E CA 0.426 56.882 56.400 0.093 0.000 0.862 355 E CB -0.036 29.689 29.700 0.043 0.000 0.799 355 E HN 0.518 nan 8.360 nan 0.000 0.518 356 L N -1.306 120.010 121.223 0.156 0.000 2.425 356 L HA 0.098 4.438 4.340 0.001 0.000 0.215 356 L C 2.092 179.074 176.870 0.187 0.000 1.065 356 L CA 0.050 54.977 54.840 0.145 0.000 0.842 356 L CB -0.216 41.922 42.059 0.131 0.000 1.033 356 L HN -0.010 nan 8.230 nan 0.000 0.474 357 F N 0.254 120.279 119.950 0.127 0.000 2.098 357 F HA -0.172 4.355 4.527 0.001 0.000 0.294 357 F C 1.811 177.713 175.800 0.171 0.000 1.107 357 F CA 1.333 59.421 58.000 0.146 0.000 1.234 357 F CB -0.145 38.970 39.000 0.192 0.000 1.002 357 F HN -0.074 nan 8.300 nan 0.000 0.472 358 Y N 0.965 121.349 120.300 0.141 0.000 2.506 358 Y HA 0.041 4.592 4.550 0.001 0.000 0.335 358 Y C 1.807 177.691 175.900 -0.026 0.000 1.218 358 Y CA 0.434 58.551 58.100 0.029 0.000 1.260 358 Y CB -0.776 37.757 38.460 0.121 0.000 1.085 358 Y HN 0.186 nan 8.280 nan 0.000 0.495 359 K N -1.537 118.894 120.400 0.051 0.000 2.464 359 K HA 0.290 4.611 4.320 0.001 0.000 0.206 359 K C 1.409 177.978 176.600 -0.050 0.000 1.186 359 K CA 0.814 57.111 56.287 0.017 0.000 0.990 359 K CB 0.659 33.189 32.500 0.051 0.000 1.003 359 K HN 0.216 nan 8.250 nan 0.000 0.562 360 G N 1.045 109.771 108.800 -0.124 0.000 2.284 360 G HA2 -0.159 3.801 3.960 0.001 0.000 0.201 360 G HA3 -0.159 3.801 3.960 0.001 0.000 0.201 360 G C -0.162 174.677 174.900 -0.101 0.000 0.998 360 G CA -0.112 44.902 45.100 -0.144 0.000 0.651 360 G HN 0.099 nan 8.290 nan 0.000 0.489 361 I N 2.536 123.082 120.570 -0.040 0.000 2.483 361 I HA 0.414 4.585 4.170 0.001 0.000 0.291 361 I C 0.763 176.899 176.117 0.032 0.000 1.112 361 I CA 0.643 61.949 61.300 0.010 0.000 1.350 361 I CB 0.424 38.454 38.000 0.049 0.000 1.419 361 I HN 0.122 nan 8.210 nan 0.000 0.523 362 R N 7.606 128.119 120.500 0.022 0.000 2.514 362 R HA 0.415 4.756 4.340 0.001 0.000 0.296 362 R C -2.616 173.713 176.300 0.049 0.000 1.012 362 R CA -1.708 54.430 56.100 0.063 0.000 0.897 362 R CB 1.877 32.190 30.300 0.020 0.000 1.184 362 R HN 0.272 nan 8.270 nan 0.000 0.440 363 P HA 0.034 nan 4.420 nan 0.000 0.271 363 P C -0.420 176.951 177.300 0.118 0.000 1.216 363 P CA -0.167 62.990 63.100 0.095 0.000 0.771 363 P CB 1.146 32.882 31.700 0.061 0.000 0.864 364 A N 4.595 127.519 122.820 0.172 0.000 3.019 364 A HA 0.216 4.537 4.320 0.001 0.000 0.262 364 A C 0.702 178.368 177.584 0.138 0.000 1.509 364 A CA -0.436 51.711 52.037 0.183 0.000 1.159 364 A CB -1.387 17.790 19.000 0.296 0.000 1.042 364 A HN 0.494 nan 8.150 nan 0.000 0.641 365 I N 1.282 121.918 120.570 0.111 0.000 2.452 365 I HA 0.008 4.179 4.170 0.001 0.000 0.287 365 I C 0.572 176.758 176.117 0.115 0.000 1.079 365 I CA -0.353 61.012 61.300 0.108 0.000 1.387 365 I CB 0.469 38.519 38.000 0.084 0.000 1.404 365 I HN 0.332 nan 8.210 nan 0.000 0.522 366 N N 6.461 125.247 118.700 0.142 0.000 2.406 366 N HA 0.023 4.764 4.740 0.001 0.000 0.265 366 N C 0.746 176.325 175.510 0.115 0.000 1.203 366 N CA 0.103 53.222 53.050 0.114 0.000 0.945 366 N CB 1.310 39.855 38.487 0.097 0.000 1.165 366 N HN 0.419 nan 8.380 nan 0.000 0.485 367 V N 3.371 123.335 119.914 0.083 0.000 2.548 367 V HA -0.057 4.063 4.120 0.001 0.000 0.249 367 V C 2.166 178.296 176.094 0.061 0.000 1.055 367 V CA 1.870 64.216 62.300 0.077 0.000 1.065 367 V CB -0.637 31.228 31.823 0.071 0.000 0.681 367 V HN 0.744 nan 8.190 nan 0.000 0.462 368 G N -1.031 107.788 108.800 0.031 0.000 2.848 368 G HA2 0.051 4.012 3.960 0.001 0.000 0.208 368 G HA3 0.051 4.012 3.960 0.001 0.000 0.208 368 G C 1.238 176.124 174.900 -0.023 0.000 1.152 368 G CA 0.401 45.501 45.100 -0.001 0.000 0.789 368 G HN 0.491 nan 8.290 nan 0.000 0.531 369 L N -0.698 120.525 121.223 -0.000 0.000 2.806 369 L HA 0.208 4.549 4.340 0.001 0.000 0.242 369 L C 0.561 177.602 176.870 0.285 0.000 1.068 369 L CA 0.034 54.842 54.840 -0.054 0.000 0.923 369 L CB 0.320 42.062 42.059 -0.529 0.000 1.364 369 L HN -0.057 nan 8.230 nan 0.000 0.511 370 S N 1.342 117.255 115.700 0.355 0.000 2.505 370 S HA 0.458 4.928 4.470 0.001 0.000 0.276 370 S C -0.168 174.527 174.600 0.157 0.000 1.274 370 S CA -0.219 58.164 58.200 0.306 0.000 1.053 370 S CB 1.495 64.815 63.200 0.201 0.000 0.919 370 S HN -0.021 nan 8.310 nan 0.000 0.490 371 V N 2.081 122.068 119.914 0.122 0.000 2.925 371 V HA 0.598 4.719 4.120 0.001 0.000 0.311 371 V C -0.205 175.911 176.094 0.037 0.000 1.104 371 V CA -0.856 61.487 62.300 0.072 0.000 0.954 371 V CB 2.212 34.080 31.823 0.074 0.000 1.022 371 V HN 0.733 nan 8.190 nan 0.000 0.427 372 S N 2.722 118.437 115.700 0.024 0.000 2.594 372 S HA 0.444 4.914 4.470 0.001 0.000 0.322 372 S C 0.855 175.461 174.600 0.010 0.000 1.085 372 S CA -0.655 57.550 58.200 0.008 0.000 1.116 372 S CB 0.583 63.784 63.200 0.002 0.000 0.979 372 S HN 0.711 nan 8.310 nan 0.000 0.465 373 R N 2.124 122.629 120.500 0.009 0.000 2.107 373 R HA -0.021 4.319 4.340 0.001 0.000 0.223 373 R C 0.741 177.044 176.300 0.006 0.000 1.138 373 R CA 1.622 57.728 56.100 0.011 0.000 0.900 373 R CB -0.799 29.509 30.300 0.012 0.000 0.814 373 R HN 0.604 nan 8.270 nan 0.000 0.437 374 V N -0.795 119.120 119.914 0.001 0.000 2.162 374 V HA 0.516 4.636 4.120 0.001 0.000 0.255 374 V C 0.462 176.551 176.094 -0.008 0.000 1.304 374 V CA 0.324 62.623 62.300 -0.003 0.000 1.198 374 V CB 0.551 32.372 31.823 -0.004 0.000 1.333 374 V HN 0.594 nan 8.190 nan 0.000 0.493 375 G N 1.833 110.629 108.800 -0.007 0.000 3.601 375 G HA2 0.045 4.006 3.960 0.001 0.000 0.192 375 G HA3 0.045 4.006 3.960 0.001 0.000 0.192 375 G C 0.929 175.824 174.900 -0.008 0.000 1.184 375 G CA 0.629 45.721 45.100 -0.012 0.000 0.891 375 G HN 0.539 nan 8.290 nan 0.000 0.706 376 S N 1.458 117.157 115.700 -0.002 0.000 2.345 376 S HA 0.074 4.544 4.470 0.001 0.000 0.220 376 S C 2.240 176.840 174.600 -0.001 0.000 1.031 376 S CA 1.082 59.283 58.200 0.002 0.000 0.996 376 S CB -0.192 63.012 63.200 0.007 0.000 0.882 376 S HN 0.638 nan 8.310 nan 0.000 0.445 377 A N 0.359 123.177 122.820 -0.003 0.000 2.281 377 A HA 0.635 4.956 4.320 0.001 0.000 0.231 377 A C 1.128 178.705 177.584 -0.012 0.000 1.317 377 A CA 0.500 52.534 52.037 -0.005 0.000 0.959 377 A CB -0.697 18.301 19.000 -0.003 0.000 0.900 377 A HN 0.466 nan 8.150 nan 0.000 0.497 378 A N -1.026 121.784 122.820 -0.017 0.000 2.630 378 A HA 0.386 4.707 4.320 0.001 0.000 0.287 378 A C 0.306 177.874 177.584 -0.028 0.000 1.040 378 A CA -0.150 51.869 52.037 -0.030 0.000 0.971 378 A CB 0.027 19.003 19.000 -0.039 0.000 1.241 378 A HN 0.515 nan 8.150 nan 0.000 0.558 379 Q N 0.518 120.309 119.800 -0.014 0.000 2.226 379 Q HA 0.475 4.815 4.340 0.001 0.000 0.256 379 Q C -0.608 175.391 176.000 -0.003 0.000 0.962 379 Q CA -0.413 55.386 55.803 -0.007 0.000 0.887 379 Q CB 1.113 29.852 28.738 0.003 0.000 1.282 379 Q HN 0.346 nan 8.270 nan 0.000 0.449 380 T N 2.698 117.254 114.554 0.003 0.000 2.916 380 T HA 0.008 4.358 4.350 0.001 0.000 0.303 380 T C 0.883 175.590 174.700 0.013 0.000 1.025 380 T CA -0.290 61.815 62.100 0.008 0.000 1.142 380 T CB 0.805 69.682 68.868 0.016 0.000 0.947 380 T HN 0.618 nan 8.240 nan 0.000 0.544 381 R N 3.033 123.540 120.500 0.012 0.000 2.081 381 R HA -0.069 4.272 4.340 0.001 0.000 0.235 381 R C 2.385 178.698 176.300 0.022 0.000 1.131 381 R CA 1.942 58.051 56.100 0.015 0.000 0.960 381 R CB -1.095 29.212 30.300 0.013 0.000 0.856 381 R HN 0.765 nan 8.270 nan 0.000 0.436 382 A N 0.114 122.947 122.820 0.021 0.000 1.978 382 A HA -0.191 4.129 4.320 0.001 0.000 0.220 382 A C 2.124 179.730 177.584 0.038 0.000 1.170 382 A CA 1.860 53.913 52.037 0.026 0.000 0.636 382 A CB -0.559 18.450 19.000 0.016 0.000 0.810 382 A HN 0.482 nan 8.150 nan 0.000 0.448 383 M N -0.192 119.428 119.600 0.033 0.000 2.156 383 M HA -0.004 4.476 4.480 0.001 0.000 0.264 383 M C 1.759 178.083 176.300 0.039 0.000 1.067 383 M CA 1.752 57.075 55.300 0.039 0.000 1.131 383 M CB -0.414 32.205 32.600 0.031 0.000 1.368 383 M HN 0.327 nan 8.290 nan 0.000 0.416 384 K N -0.460 119.959 120.400 0.031 0.000 2.209 384 K HA -0.179 4.142 4.320 0.001 0.000 0.204 384 K C 1.962 178.583 176.600 0.035 0.000 1.048 384 K CA 1.535 57.840 56.287 0.029 0.000 0.940 384 K CB -0.175 32.338 32.500 0.022 0.000 0.729 384 K HN 0.555 nan 8.250 nan 0.000 0.451 385 Q N -0.097 119.729 119.800 0.043 0.000 2.297 385 Q HA -0.095 4.246 4.340 0.001 0.000 0.204 385 Q C 1.897 177.937 176.000 0.067 0.000 0.962 385 Q CA 1.223 57.058 55.803 0.054 0.000 0.879 385 Q CB 0.328 29.104 28.738 0.063 0.000 0.947 385 Q HN 0.290 nan 8.270 nan 0.000 0.462 386 V N -5.212 114.744 119.914 0.070 0.000 3.307 386 V HA 0.348 4.468 4.120 0.001 0.000 0.244 386 V C 1.789 177.911 176.094 0.047 0.000 1.196 386 V CA 0.617 62.962 62.300 0.074 0.000 1.132 386 V CB -0.144 31.749 31.823 0.117 0.000 0.875 386 V HN 0.108 nan 8.190 nan 0.000 0.468 387 A N 1.475 124.321 122.820 0.043 0.000 2.067 387 A HA 0.293 4.614 4.320 0.001 0.000 0.217 387 A C 2.182 179.783 177.584 0.028 0.000 1.156 387 A CA 1.393 53.451 52.037 0.035 0.000 0.683 387 A CB -0.998 18.023 19.000 0.034 0.000 0.808 387 A HN 0.640 nan 8.150 nan 0.000 0.455 388 G N 0.028 108.844 108.800 0.027 0.000 2.404 388 G HA2 -0.159 3.802 3.960 0.001 0.000 0.215 388 G HA3 -0.159 3.802 3.960 0.001 0.000 0.215 388 G C 1.564 176.475 174.900 0.017 0.000 1.174 388 G CA 1.752 46.865 45.100 0.022 0.000 0.780 388 G HN 0.627 nan 8.290 nan 0.000 0.537 389 T N -1.603 112.959 114.554 0.013 0.000 3.129 389 T HA 0.225 4.576 4.350 0.001 0.000 0.251 389 T C 2.045 176.746 174.700 0.001 0.000 1.117 389 T CA 0.757 62.859 62.100 0.004 0.000 1.034 389 T CB 0.191 69.055 68.868 -0.006 0.000 0.968 389 T HN 0.284 nan 8.240 nan 0.000 0.526 390 M N 0.658 120.263 119.600 0.008 0.000 2.216 390 M HA 0.218 4.698 4.480 0.001 0.000 0.264 390 M C 2.254 178.567 176.300 0.021 0.000 1.080 390 M CA 1.352 56.658 55.300 0.009 0.000 1.153 390 M CB -0.031 32.578 32.600 0.015 0.000 1.356 390 M HN 0.089 nan 8.290 nan 0.000 0.432 391 K N 0.653 121.069 120.400 0.026 0.000 2.147 391 K HA -0.165 4.155 4.320 0.001 0.000 0.205 391 K C 1.757 178.377 176.600 0.032 0.000 1.049 391 K CA 1.384 57.691 56.287 0.032 0.000 0.936 391 K CB -0.510 32.008 32.500 0.030 0.000 0.722 391 K HN 0.402 nan 8.250 nan 0.000 0.446 392 L N 1.050 122.288 121.223 0.025 0.000 2.072 392 L HA -0.035 4.306 4.340 0.001 0.000 0.205 392 L C 1.534 178.422 176.870 0.030 0.000 1.079 392 L CA 1.824 56.678 54.840 0.023 0.000 0.752 392 L CB -0.282 41.786 42.059 0.015 0.000 0.906 392 L HN 0.242 nan 8.230 nan 0.000 0.436 393 E N -1.085 119.131 120.200 0.027 0.000 2.371 393 E HA -0.098 4.253 4.350 0.001 0.000 0.194 393 E C 1.878 178.522 176.600 0.073 0.000 1.012 393 E CA 0.345 56.766 56.400 0.035 0.000 0.860 393 E CB 0.086 29.788 29.700 0.004 0.000 0.811 393 E HN 0.315 nan 8.360 nan 0.000 0.502 394 L N 0.401 121.669 121.223 0.075 0.000 2.209 394 L HA 0.083 4.424 4.340 0.001 0.000 0.207 394 L C 2.051 179.005 176.870 0.141 0.000 1.094 394 L CA 1.228 56.145 54.840 0.127 0.000 0.790 394 L CB -0.267 41.846 42.059 0.091 0.000 0.932 394 L HN -0.021 nan 8.230 nan 0.000 0.447 395 A N -1.470 121.399 122.820 0.081 0.000 1.970 395 A HA -0.157 4.163 4.320 0.001 0.000 0.216 395 A C 2.145 179.758 177.584 0.048 0.000 1.170 395 A CA 1.077 53.144 52.037 0.051 0.000 0.645 395 A CB -0.368 18.652 19.000 0.033 0.000 0.816 395 A HN 0.548 nan 8.150 nan 0.000 0.447 396 Q N -2.076 117.766 119.800 0.069 0.000 2.224 396 Q HA -0.174 4.166 4.340 0.001 0.000 0.203 396 Q C 1.791 177.859 176.000 0.113 0.000 0.970 396 Q CA 1.637 57.483 55.803 0.072 0.000 0.865 396 Q CB -0.219 28.558 28.738 0.064 0.000 0.922 396 Q HN 0.890 nan 8.270 nan 0.000 0.445 397 Y N 0.178 120.485 120.300 0.012 0.000 2.347 397 Y HA 0.050 4.600 4.550 0.001 0.000 0.294 397 Y C 1.811 177.719 175.900 0.013 0.000 1.117 397 Y CA 0.903 59.012 58.100 0.016 0.000 1.184 397 Y CB 0.166 38.631 38.460 0.007 0.000 1.047 397 Y HN -0.218 nan 8.280 nan 0.000 0.546 398 R N 0.945 121.347 120.500 -0.164 0.000 2.323 398 R HA -0.055 4.286 4.340 0.001 0.000 0.198 398 R C 0.326 176.526 176.300 -0.167 0.000 0.988 398 R CA 0.327 56.275 56.100 -0.253 0.000 1.041 398 R CB -0.158 30.084 30.300 -0.095 0.000 0.926 398 R HN 0.212 nan 8.270 nan 0.000 0.476 399 E N 0.891 121.032 120.200 -0.097 0.000 2.614 399 E HA -0.008 4.343 4.350 0.001 0.000 0.321 399 E C -0.694 175.871 176.600 -0.059 0.000 1.354 399 E CA 0.039 56.410 56.400 -0.050 0.000 1.469 399 E CB -0.317 29.384 29.700 0.001 0.000 1.197 399 E HN -0.024 nan 8.360 nan 0.000 0.497 400 V N 1.600 121.437 119.914 -0.128 0.000 5.702 400 V HA -0.288 3.833 4.120 0.001 0.000 0.268 400 V C 0.607 176.593 176.094 -0.180 0.000 0.689 400 V CA 1.153 63.334 62.300 -0.198 0.000 0.965 400 V CB -1.806 29.915 31.823 -0.169 0.000 1.107 400 V HN 0.586 nan 8.190 nan 0.000 0.434 401 A N 2.372 125.034 122.820 -0.264 0.000 2.637 401 A HA 0.763 5.083 4.320 0.001 0.000 0.293 401 A C 1.616 179.096 177.584 -0.173 0.000 1.216 401 A CA 0.732 52.685 52.037 -0.140 0.000 0.956 401 A CB 0.542 19.402 19.000 -0.234 0.000 1.174 401 A HN 1.706 nan 8.150 nan 0.000 0.525 402 A N -0.475 122.135 122.820 -0.350 0.000 2.066 402 A HA 0.130 4.451 4.320 0.001 0.000 0.218 402 A C 1.526 179.008 177.584 -0.170 0.000 1.157 402 A CA 1.014 52.880 52.037 -0.285 0.000 0.670 402 A CB -0.742 18.053 19.000 -0.341 0.000 0.804 402 A HN 0.494 nan 8.150 nan 0.000 0.453 403 F N -0.133 119.871 119.950 0.090 0.000 2.120 403 F HA -0.044 4.484 4.527 0.001 0.000 0.300 403 F C 2.419 178.322 175.800 0.172 0.000 1.095 403 F CA 0.926 59.041 58.000 0.191 0.000 1.249 403 F CB -0.878 38.314 39.000 0.320 0.000 0.995 403 F HN 0.457 nan 8.300 nan 0.000 0.480 404 A N -0.728 122.219 122.820 0.212 0.000 1.387 404 A HA -0.399 3.922 4.320 0.001 0.000 0.351 404 A C 0.948 178.232 177.584 -0.499 0.000 1.649 404 A CA 1.794 53.754 52.037 -0.129 0.000 1.088 404 A CB -1.742 17.229 19.000 -0.047 0.000 1.472 404 A HN 0.458 nan 8.150 nan 0.000 0.721 405 Q N 0.465 120.145 119.800 -0.200 0.000 2.348 405 Q HA 0.509 4.849 4.340 0.001 0.000 0.251 405 Q C 0.090 176.053 176.000 -0.061 0.000 1.113 405 Q CA 0.716 56.413 55.803 -0.176 0.000 0.902 405 Q CB -0.118 28.610 28.738 -0.015 0.000 1.333 405 Q HN 1.130 nan 8.270 nan 0.000 0.457 406 F N -1.400 118.575 119.950 0.041 0.000 3.086 406 F HA 0.338 4.866 4.527 0.001 0.000 0.411 406 F C 0.974 176.785 175.800 0.018 0.000 1.033 406 F CA -0.166 57.849 58.000 0.024 0.000 0.911 406 F CB -0.241 38.768 39.000 0.015 0.000 1.496 406 F HN 0.582 nan 8.300 nan 0.000 0.527 407 G N 2.323 111.091 108.800 -0.053 0.000 3.181 407 G HA2 -0.331 3.630 3.960 0.001 0.000 0.322 407 G HA3 -0.331 3.630 3.960 0.001 0.000 0.322 407 G C 0.583 175.570 174.900 0.146 0.000 1.246 407 G CA 1.184 46.295 45.100 0.017 0.000 0.989 407 G HN 1.374 nan 8.290 nan 0.000 0.607 408 S N 0.160 115.956 115.700 0.160 0.000 2.272 408 S HA 0.624 5.094 4.470 0.001 0.000 0.207 408 S C -0.305 174.372 174.600 0.129 0.000 1.336 408 S CA 0.430 58.718 58.200 0.146 0.000 1.259 408 S CB 1.188 64.433 63.200 0.075 0.000 1.130 408 S HN 0.378 nan 8.310 nan 0.000 0.444 409 D N 0.566 121.079 120.400 0.188 0.000 2.469 409 D HA 0.337 4.977 4.640 0.001 0.000 0.213 409 D C 0.372 176.594 176.300 -0.129 0.000 1.135 409 D CA -0.118 53.908 54.000 0.044 0.000 0.834 409 D CB 0.563 41.410 40.800 0.078 0.000 1.009 409 D HN 0.375 nan 8.370 nan 0.000 0.507 410 L N 0.404 121.533 121.223 -0.157 0.000 2.926 410 L HA 0.289 4.630 4.340 0.001 0.000 0.183 410 L C 0.696 177.488 176.870 -0.130 0.000 1.766 410 L CA -0.214 54.446 54.840 -0.299 0.000 2.062 410 L CB 0.518 42.301 42.059 -0.461 0.000 2.755 410 L HN -0.242 nan 8.230 nan 0.000 0.584 411 D N -0.958 119.379 120.400 -0.104 0.000 2.301 411 D HA 0.313 4.954 4.640 0.001 0.000 0.287 411 D C 0.311 176.600 176.300 -0.019 0.000 1.179 411 D CA 0.417 54.382 54.000 -0.059 0.000 1.060 411 D CB 0.159 40.924 40.800 -0.057 0.000 1.135 411 D HN 0.511 nan 8.370 nan 0.000 0.531 412 A N -0.739 122.074 122.820 -0.011 0.000 1.964 412 A HA 0.446 4.767 4.320 0.001 0.000 0.198 412 A C 1.646 179.234 177.584 0.006 0.000 1.599 412 A CA 0.898 52.935 52.037 -0.001 0.000 0.968 412 A CB -0.587 18.409 19.000 -0.007 0.000 1.029 412 A HN 0.380 nan 8.150 nan 0.000 0.508 413 A N 0.159 122.980 122.820 0.002 0.000 2.119 413 A HA 0.111 4.432 4.320 0.001 0.000 0.216 413 A C 2.091 179.688 177.584 0.021 0.000 1.152 413 A CA 2.126 54.167 52.037 0.006 0.000 0.708 413 A CB -0.805 18.195 19.000 0.001 0.000 0.805 413 A HN 0.710 nan 8.150 nan 0.000 0.460 414 T N -3.749 110.822 114.554 0.029 0.000 3.037 414 T HA 0.066 4.417 4.350 0.001 0.000 0.251 414 T C 1.628 176.384 174.700 0.094 0.000 1.079 414 T CA 0.632 62.766 62.100 0.056 0.000 1.067 414 T CB -0.073 68.823 68.868 0.046 0.000 0.948 414 T HN 0.472 nan 8.240 nan 0.000 0.496 415 Q N 0.550 120.400 119.800 0.084 0.000 2.311 415 Q HA 0.032 4.372 4.340 0.001 0.000 0.203 415 Q C 2.314 178.363 176.000 0.082 0.000 0.954 415 Q CA 0.803 56.676 55.803 0.117 0.000 0.885 415 Q CB -0.070 28.730 28.738 0.104 0.000 0.963 415 Q HN 0.622 nan 8.270 nan 0.000 0.471 416 Q N 0.388 120.217 119.800 0.048 0.000 2.245 416 Q HA -0.051 4.289 4.340 0.001 0.000 0.201 416 Q C 1.837 177.850 176.000 0.022 0.000 0.955 416 Q CA 0.379 56.193 55.803 0.017 0.000 0.870 416 Q CB 0.250 28.986 28.738 -0.004 0.000 0.945 416 Q HN 0.364 nan 8.270 nan 0.000 0.461 417 L N -0.002 121.257 121.223 0.060 0.000 2.156 417 L HA -0.162 4.178 4.340 0.001 0.000 0.208 417 L C 1.970 178.935 176.870 0.158 0.000 1.095 417 L CA 0.418 55.314 54.840 0.093 0.000 0.770 417 L CB -0.149 41.980 42.059 0.116 0.000 0.914 417 L HN 0.223 nan 8.230 nan 0.000 0.439 418 L N -1.088 120.243 121.223 0.180 0.000 2.109 418 L HA -0.142 4.199 4.340 0.001 0.000 0.207 418 L C 2.776 179.664 176.870 0.029 0.000 1.086 418 L CA 1.397 56.366 54.840 0.215 0.000 0.760 418 L CB -0.575 41.614 42.059 0.216 0.000 0.910 418 L HN 0.175 nan 8.230 nan 0.000 0.437 419 S N -0.869 114.830 115.700 -0.001 0.000 2.345 419 S HA -0.168 4.302 4.470 0.001 0.000 0.220 419 S C 2.338 176.862 174.600 -0.127 0.000 1.031 419 S CA 0.926 59.090 58.200 -0.061 0.000 0.996 419 S CB -0.080 63.094 63.200 -0.044 0.000 0.882 419 S HN 0.248 nan 8.310 nan 0.000 0.445 420 R N 0.552 120.981 120.500 -0.118 0.000 2.083 420 R HA -0.061 4.280 4.340 0.001 0.000 0.237 420 R C 2.516 178.660 176.300 -0.260 0.000 1.137 420 R CA 1.480 57.489 56.100 -0.153 0.000 0.951 420 R CB -1.605 28.635 30.300 -0.101 0.000 0.851 420 R HN 0.574 nan 8.270 nan 0.000 0.434 421 G N 0.902 109.451 108.800 -0.419 0.000 2.514 421 G HA2 -0.266 3.694 3.960 0.001 0.000 0.217 421 G HA3 -0.266 3.694 3.960 0.001 0.000 0.217 421 G C 1.536 175.901 174.900 -0.892 0.000 1.198 421 G CA 1.893 46.397 45.100 -0.994 0.000 0.780 421 G HN 0.324 nan 8.290 nan 0.000 0.565 422 V N -0.749 118.731 119.914 -0.724 0.000 2.469 422 V HA -0.140 3.980 4.120 0.001 0.000 0.251 422 V C 2.714 178.673 176.094 -0.225 0.000 1.064 422 V CA 2.050 64.131 62.300 -0.365 0.000 1.066 422 V CB -0.601 31.109 31.823 -0.189 0.000 0.667 422 V HN 0.244 nan 8.190 nan 0.000 0.461 423 R N 0.727 121.097 120.500 -0.217 0.000 2.062 423 R HA 0.174 4.514 4.340 0.001 0.000 0.229 423 R C 2.361 178.580 176.300 -0.133 0.000 1.128 423 R CA 1.432 57.438 56.100 -0.156 0.000 0.960 423 R CB -1.011 29.193 30.300 -0.161 0.000 0.855 423 R HN 0.489 nan 8.270 nan 0.000 0.432 424 L N 0.841 121.969 121.223 -0.158 0.000 2.353 424 L HA -0.105 4.235 4.340 0.001 0.000 0.220 424 L C 2.069 178.890 176.870 -0.082 0.000 1.133 424 L CA 1.068 55.843 54.840 -0.108 0.000 0.798 424 L CB -0.431 41.563 42.059 -0.109 0.000 0.922 424 L HN 0.190 nan 8.230 nan 0.000 0.445 425 T N -1.637 112.846 114.554 -0.118 0.000 2.901 425 T HA -0.059 4.291 4.350 0.001 0.000 0.252 425 T C 1.750 176.434 174.700 -0.027 0.000 1.035 425 T CA 0.583 62.649 62.100 -0.056 0.000 1.142 425 T CB 0.030 68.861 68.868 -0.063 0.000 0.869 425 T HN 0.194 nan 8.240 nan 0.000 0.442 426 E N 1.464 121.637 120.200 -0.044 0.000 2.110 426 E HA -0.019 4.332 4.350 0.001 0.000 0.193 426 E C 2.259 178.861 176.600 0.002 0.000 0.988 426 E CA 0.654 57.043 56.400 -0.018 0.000 0.804 426 E CB -0.508 29.175 29.700 -0.028 0.000 0.745 426 E HN 0.429 nan 8.360 nan 0.000 0.458 427 L N 0.344 121.565 121.223 -0.003 0.000 2.079 427 L HA -0.174 4.167 4.340 0.001 0.000 0.210 427 L C 2.424 179.313 176.870 0.032 0.000 1.081 427 L CA 0.819 55.673 54.840 0.024 0.000 0.752 427 L CB -0.313 41.757 42.059 0.018 0.000 0.896 427 L HN 0.120 nan 8.230 nan 0.000 0.433 428 L N -0.714 120.523 121.223 0.023 0.000 2.376 428 L HA -0.100 4.240 4.340 0.001 0.000 0.219 428 L C 0.993 177.882 176.870 0.032 0.000 1.133 428 L CA 0.385 55.243 54.840 0.031 0.000 0.816 428 L CB -0.430 41.648 42.059 0.032 0.000 0.933 428 L HN 0.139 nan 8.230 nan 0.000 0.449 429 K N 1.159 121.576 120.400 0.028 0.000 2.436 429 K HA 0.135 4.455 4.320 0.001 0.000 0.275 429 K C -0.092 176.524 176.600 0.027 0.000 0.999 429 K CA 0.493 56.795 56.287 0.025 0.000 0.980 429 K CB 0.531 33.042 32.500 0.018 0.000 0.919 429 K HN 0.042 nan 8.250 nan 0.000 0.484 430 Q N 0.297 120.109 119.800 0.020 0.000 2.386 430 Q HA 0.307 4.647 4.340 0.001 0.000 0.274 430 Q C -0.945 175.057 176.000 0.003 0.000 1.011 430 Q CA -0.632 55.181 55.803 0.017 0.000 0.867 430 Q CB 1.904 30.652 28.738 0.016 0.000 1.409 430 Q HN 0.798 nan 8.270 nan 0.000 0.395 431 G N 1.700 110.503 108.800 0.004 0.000 2.539 431 G HA2 0.164 4.125 3.960 0.001 0.000 0.258 431 G HA3 0.164 4.125 3.960 0.001 0.000 0.258 431 G C -0.468 174.406 174.900 -0.042 0.000 1.202 431 G CA -0.179 44.918 45.100 -0.005 0.000 0.851 431 G HN 0.559 nan 8.290 nan 0.000 0.556 432 Q N -0.702 119.041 119.800 -0.095 0.000 2.417 432 Q HA 0.144 4.484 4.340 0.001 0.000 0.241 432 Q C -0.193 175.698 176.000 -0.182 0.000 1.008 432 Q CA -0.016 55.600 55.803 -0.311 0.000 0.901 432 Q CB 0.405 28.785 28.738 -0.596 0.000 1.259 432 Q HN 0.612 nan 8.270 nan 0.000 0.489 433 Y N -1.397 118.910 120.300 0.010 0.000 4.538 433 Y HA -0.272 4.279 4.550 0.001 0.000 0.225 433 Y C -0.016 175.886 175.900 0.002 0.000 1.074 433 Y CA 0.740 58.841 58.100 0.002 0.000 1.942 433 Y CB -1.984 36.473 38.460 -0.005 0.000 1.618 433 Y HN 0.251 nan 8.280 nan 0.000 0.642 434 S N 1.322 117.071 115.700 0.081 0.000 2.130 434 S HA 0.356 4.826 4.470 0.001 0.000 0.165 434 S C -2.141 172.475 174.600 0.026 0.000 1.677 434 S CA -1.003 57.230 58.200 0.055 0.000 1.227 434 S CB 1.422 64.650 63.200 0.047 0.000 1.115 434 S HN 0.089 nan 8.310 nan 0.000 0.452 435 P HA 0.441 nan 4.420 nan 0.000 0.276 435 P C -0.846 176.454 177.300 0.000 0.000 1.244 435 P CA -0.596 62.514 63.100 0.017 0.000 0.801 435 P CB 0.719 32.437 31.700 0.029 0.000 1.006 436 M N 0.892 120.491 119.600 -0.001 0.000 2.393 436 M HA 0.516 4.997 4.480 0.001 0.000 0.316 436 M C 0.123 176.410 176.300 -0.022 0.000 1.087 436 M CA -0.885 54.405 55.300 -0.016 0.000 0.937 436 M CB 2.373 34.969 32.600 -0.007 0.000 1.668 436 M HN 0.348 nan 8.290 nan 0.000 0.438 437 A N 1.749 124.537 122.820 -0.054 0.000 2.483 437 A HA 0.139 4.460 4.320 0.001 0.000 0.238 437 A C 0.997 178.568 177.584 -0.021 0.000 1.070 437 A CA -0.187 51.812 52.037 -0.064 0.000 0.770 437 A CB 0.050 18.988 19.000 -0.105 0.000 1.008 437 A HN 0.977 nan 8.150 nan 0.000 0.497 438 I N 0.585 121.159 120.570 0.007 0.000 2.264 438 I HA -0.229 3.942 4.170 0.001 0.000 0.248 438 I C 2.472 178.593 176.117 0.007 0.000 1.111 438 I CA 2.331 63.645 61.300 0.024 0.000 1.382 438 I CB -0.184 37.845 38.000 0.047 0.000 1.060 438 I HN 0.851 nan 8.210 nan 0.000 0.418 439 E N 0.109 120.301 120.200 -0.014 0.000 2.158 439 E HA -0.221 4.129 4.350 0.001 0.000 0.191 439 E C 1.735 178.313 176.600 -0.038 0.000 0.982 439 E CA 1.125 57.509 56.400 -0.027 0.000 0.823 439 E CB -0.658 29.017 29.700 -0.043 0.000 0.766 439 E HN 0.614 nan 8.360 nan 0.000 0.468 440 E N 0.949 121.121 120.200 -0.047 0.000 2.150 440 E HA -0.152 4.199 4.350 0.001 0.000 0.193 440 E C 2.220 178.811 176.600 -0.015 0.000 0.985 440 E CA 1.047 57.413 56.400 -0.058 0.000 0.814 440 E CB -0.017 29.642 29.700 -0.069 0.000 0.752 440 E HN 0.413 nan 8.360 nan 0.000 0.466 441 Q N 0.248 120.052 119.800 0.007 0.000 2.020 441 Q HA -0.102 4.239 4.340 0.001 0.000 0.198 441 Q C 2.544 178.582 176.000 0.064 0.000 0.974 441 Q CA 1.620 57.445 55.803 0.036 0.000 0.829 441 Q CB -0.148 28.611 28.738 0.034 0.000 0.894 441 Q HN 0.317 nan 8.270 nan 0.000 0.433 442 V N -1.791 118.155 119.914 0.054 0.000 3.026 442 V HA -0.059 4.061 4.120 0.001 0.000 0.265 442 V C 1.830 177.995 176.094 0.119 0.000 1.121 442 V CA 1.507 63.856 62.300 0.082 0.000 1.142 442 V CB -0.887 30.969 31.823 0.054 0.000 0.730 442 V HN 0.268 nan 8.190 nan 0.000 0.503 443 A N 1.330 124.207 122.820 0.094 0.000 1.878 443 A HA 0.085 4.405 4.320 0.001 0.000 0.213 443 A C 2.301 180.094 177.584 0.348 0.000 1.192 443 A CA 1.662 53.787 52.037 0.146 0.000 0.619 443 A CB -0.584 18.425 19.000 0.015 0.000 0.837 443 A HN 0.986 nan 8.150 nan 0.000 0.446 444 V N -1.971 118.111 119.914 0.279 0.000 2.719 444 V HA -0.056 4.065 4.120 0.001 0.000 0.252 444 V C 2.145 178.367 176.094 0.214 0.000 1.065 444 V CA 1.515 64.005 62.300 0.317 0.000 1.086 444 V CB -0.838 31.122 31.823 0.228 0.000 0.700 444 V HN 0.433 nan 8.190 nan 0.000 0.467 445 I N -0.650 120.024 120.570 0.173 0.000 2.353 445 I HA -0.148 4.022 4.170 0.001 0.000 0.248 445 I C 2.535 178.738 176.117 0.144 0.000 1.119 445 I CA 1.956 63.332 61.300 0.125 0.000 1.417 445 I CB -0.399 37.661 38.000 0.100 0.000 1.078 445 I HN 0.353 nan 8.210 nan 0.000 0.421 446 Y N 1.826 122.171 120.300 0.075 0.000 2.241 446 Y HA -0.355 4.195 4.550 0.001 0.000 0.286 446 Y C 2.471 178.427 175.900 0.093 0.000 1.166 446 Y CA 1.467 59.616 58.100 0.081 0.000 1.203 446 Y CB -0.189 38.323 38.460 0.088 0.000 0.977 446 Y HN 0.158 nan 8.280 nan 0.000 0.529 447 A N -0.245 122.687 122.820 0.186 0.000 1.877 447 A HA -0.113 4.208 4.320 0.001 0.000 0.216 447 A C 2.437 180.013 177.584 -0.012 0.000 1.186 447 A CA 1.860 53.937 52.037 0.066 0.000 0.620 447 A CB -1.545 17.448 19.000 -0.012 0.000 0.822 447 A HN 0.563 nan 8.150 nan 0.000 0.443 448 G N -1.583 107.191 108.800 -0.044 0.000 2.459 448 G HA2 0.068 4.029 3.960 0.001 0.000 0.213 448 G HA3 0.068 4.029 3.960 0.001 0.000 0.213 448 G C 1.418 176.242 174.900 -0.127 0.000 1.155 448 G CA 0.851 45.891 45.100 -0.101 0.000 0.811 448 G HN 0.369 nan 8.290 nan 0.000 0.534 449 V N 0.470 120.318 119.914 -0.110 0.000 3.078 449 V HA 0.044 4.164 4.120 0.001 0.000 0.265 449 V C 2.313 178.290 176.094 -0.194 0.000 1.122 449 V CA 1.205 63.431 62.300 -0.123 0.000 1.141 449 V CB -0.308 31.470 31.823 -0.074 0.000 0.735 449 V HN 0.213 nan 8.190 nan 0.000 0.498 450 R N -0.900 119.433 120.500 -0.277 0.000 2.373 450 R HA 0.339 4.679 4.340 0.001 0.000 0.221 450 R C 1.562 177.562 176.300 -0.501 0.000 0.893 450 R CA 0.872 56.743 56.100 -0.382 0.000 1.049 450 R CB 0.748 30.769 30.300 -0.465 0.000 1.119 450 R HN 0.510 nan 8.270 nan 0.000 0.535 451 G N 0.346 108.895 108.800 -0.418 0.000 2.192 451 G HA2 -0.266 3.695 3.960 0.001 0.000 0.193 451 G HA3 -0.266 3.695 3.960 0.001 0.000 0.193 451 G C 0.311 174.974 174.900 -0.395 0.000 0.999 451 G CA -0.330 44.533 45.100 -0.396 0.000 0.659 451 G HN 0.336 nan 8.290 nan 0.000 0.503 452 Y N 0.607 120.792 120.300 -0.191 0.000 2.506 452 Y HA 0.475 5.026 4.550 0.001 0.000 0.335 452 Y C 2.073 177.792 175.900 -0.301 0.000 1.218 452 Y CA 0.749 58.728 58.100 -0.201 0.000 1.260 452 Y CB 0.023 38.379 38.460 -0.173 0.000 1.085 452 Y HN 0.326 nan 8.280 nan 0.000 0.495 453 L N -1.584 119.516 121.223 -0.205 0.000 3.360 453 L HA 0.095 4.436 4.340 0.001 0.000 0.303 453 L C 0.976 177.717 176.870 -0.214 0.000 1.218 453 L CA -0.020 54.645 54.840 -0.292 0.000 1.059 453 L CB 0.371 42.240 42.059 -0.316 0.000 1.468 453 L HN 0.023 nan 8.230 nan 0.000 0.614 454 D N 1.306 121.599 120.400 -0.178 0.000 2.149 454 D HA -0.221 4.420 4.640 0.001 0.000 0.198 454 D C 1.931 178.165 176.300 -0.110 0.000 0.990 454 D CA 1.333 55.249 54.000 -0.140 0.000 0.839 454 D CB 0.278 40.996 40.800 -0.136 0.000 0.948 454 D HN 0.253 nan 8.370 nan 0.000 0.460 455 K N -0.021 120.317 120.400 -0.104 0.000 2.031 455 K HA -0.101 4.220 4.320 0.001 0.000 0.205 455 K C 0.792 177.350 176.600 -0.071 0.000 1.049 455 K CA -0.046 56.199 56.287 -0.071 0.000 0.939 455 K CB -0.167 32.303 32.500 -0.049 0.000 0.717 455 K HN -0.028 nan 8.250 nan 0.000 0.438 456 L N 3.177 124.334 121.223 -0.111 0.000 2.543 456 L HA -0.049 4.292 4.340 0.001 0.000 0.285 456 L C -0.622 176.206 176.870 -0.071 0.000 1.236 456 L CA 0.702 55.481 54.840 -0.102 0.000 0.871 456 L CB 0.500 42.418 42.059 -0.234 0.000 1.121 456 L HN 0.172 nan 8.230 nan 0.000 0.501 457 E N 6.219 126.408 120.200 -0.019 0.000 2.414 457 E HA 0.014 4.365 4.350 0.001 0.000 0.263 457 E C -1.664 174.924 176.600 -0.021 0.000 1.000 457 E CA -0.722 55.673 56.400 -0.009 0.000 0.914 457 E CB 0.161 29.874 29.700 0.022 0.000 0.948 457 E HN 0.465 nan 8.360 nan 0.000 0.444 458 P HA -0.219 nan 4.420 nan 0.000 0.218 458 P C 0.994 178.289 177.300 -0.008 0.000 1.148 458 P CA 1.335 64.414 63.100 -0.036 0.000 0.822 458 P CB 0.115 31.791 31.700 -0.041 0.000 0.784 459 S N -1.191 114.514 115.700 0.008 0.000 2.493 459 S HA -0.098 4.372 4.470 0.001 0.000 0.243 459 S C 1.509 176.143 174.600 0.056 0.000 0.991 459 S CA 0.966 59.181 58.200 0.026 0.000 0.957 459 S CB -0.696 62.520 63.200 0.026 0.000 0.756 459 S HN 0.150 nan 8.310 nan 0.000 0.521 460 K N 0.177 120.621 120.400 0.073 0.000 2.380 460 K HA 0.353 4.674 4.320 0.001 0.000 0.198 460 K C 1.520 178.206 176.600 0.144 0.000 1.070 460 K CA -0.151 56.224 56.287 0.147 0.000 1.040 460 K CB -0.044 32.593 32.500 0.229 0.000 0.903 460 K HN 0.323 nan 8.250 nan 0.000 0.549 461 I N 1.872 122.477 120.570 0.059 0.000 2.194 461 I HA -0.260 3.911 4.170 0.001 0.000 0.246 461 I C 1.933 178.127 176.117 0.128 0.000 1.093 461 I CA 1.622 62.948 61.300 0.043 0.000 1.355 461 I CB -1.542 36.447 38.000 -0.019 0.000 1.046 461 I HN 0.099 nan 8.210 nan 0.000 0.413 462 T N 0.909 115.527 114.554 0.107 0.000 2.607 462 T HA -0.266 4.085 4.350 0.001 0.000 0.267 462 T C 1.998 176.792 174.700 0.157 0.000 1.049 462 T CA 1.940 64.106 62.100 0.111 0.000 1.162 462 T CB -0.277 68.638 68.868 0.078 0.000 0.863 462 T HN 0.317 nan 8.240 nan 0.000 0.424 463 K N -0.019 120.498 120.400 0.194 0.000 2.074 463 K HA -0.151 4.170 4.320 0.001 0.000 0.209 463 K C 2.133 178.936 176.600 0.337 0.000 1.048 463 K CA 1.468 57.910 56.287 0.259 0.000 0.926 463 K CB -0.367 32.317 32.500 0.306 0.000 0.713 463 K HN 0.347 nan 8.250 nan 0.000 0.444 464 F N 2.098 122.129 119.950 0.135 0.000 2.134 464 F HA -0.186 4.341 4.527 0.001 0.000 0.299 464 F C 2.327 178.164 175.800 0.062 0.000 1.097 464 F CA 1.839 59.781 58.000 -0.097 0.000 1.264 464 F CB -0.197 38.530 39.000 -0.455 0.000 1.001 464 F HN 0.187 nan 8.300 nan 0.000 0.479 465 E N 0.561 120.887 120.200 0.211 0.000 2.013 465 E HA -0.321 4.030 4.350 0.001 0.000 0.202 465 E C 1.924 178.555 176.600 0.052 0.000 1.018 465 E CA 2.089 58.580 56.400 0.153 0.000 0.834 465 E CB -0.561 29.233 29.700 0.155 0.000 0.770 465 E HN 0.584 nan 8.360 nan 0.000 0.459 466 N N 0.323 119.065 118.700 0.071 0.000 2.096 466 N HA -0.260 4.481 4.740 0.001 0.000 0.195 466 N C 1.829 177.364 175.510 0.042 0.000 1.017 466 N CA 1.565 54.646 53.050 0.051 0.000 0.870 466 N CB -0.271 38.260 38.487 0.074 0.000 1.024 466 N HN 0.262 nan 8.380 nan 0.000 0.434 467 A N 0.780 123.653 122.820 0.088 0.000 1.845 467 A HA -0.155 4.165 4.320 0.001 0.000 0.215 467 A C 2.029 179.630 177.584 0.027 0.000 1.195 467 A CA 1.239 53.384 52.037 0.179 0.000 0.616 467 A CB -1.019 18.224 19.000 0.405 0.000 0.832 467 A HN 0.402 nan 8.150 nan 0.000 0.443 468 F N -0.065 119.568 119.950 -0.528 0.000 2.234 468 F HA -0.073 4.455 4.527 0.001 0.000 0.299 468 F C 1.751 177.297 175.800 -0.424 0.000 1.087 468 F CA 1.388 58.804 58.000 -0.974 0.000 1.340 468 F CB -0.217 38.055 39.000 -1.213 0.000 1.031 468 F HN 0.182 nan 8.300 nan 0.000 0.500 469 L N 0.410 121.410 121.223 -0.373 0.000 2.072 469 L HA -0.094 4.246 4.340 0.001 0.000 0.205 469 L C 2.612 179.319 176.870 -0.273 0.000 1.079 469 L CA 2.248 56.883 54.840 -0.342 0.000 0.752 469 L CB -1.188 40.795 42.059 -0.126 0.000 0.906 469 L HN 0.289 nan 8.230 nan 0.000 0.436 470 S N -2.380 113.229 115.700 -0.151 0.000 2.489 470 S HA -0.185 4.285 4.470 0.001 0.000 0.228 470 S C 2.062 176.617 174.600 -0.075 0.000 0.995 470 S CA 0.702 58.849 58.200 -0.090 0.000 0.934 470 S CB -0.923 62.263 63.200 -0.023 0.000 0.771 470 S HN 0.684 nan 8.310 nan 0.000 0.522 471 H N 1.967 120.917 119.070 -0.200 0.000 2.333 471 H HA -0.029 4.528 4.556 0.001 0.000 0.302 471 H C 2.133 177.361 175.328 -0.166 0.000 1.075 471 H CA 1.980 57.944 56.048 -0.141 0.000 1.348 471 H CB -0.014 29.676 29.762 -0.119 0.000 1.393 471 H HN 0.425 nan 8.280 nan 0.000 0.509 472 V N -0.665 118.957 119.914 -0.486 0.000 2.809 472 V HA -0.105 4.015 4.120 0.001 0.000 0.256 472 V C 2.477 178.402 176.094 -0.282 0.000 1.080 472 V CA 0.701 62.746 62.300 -0.426 0.000 1.102 472 V CB -0.614 30.875 31.823 -0.557 0.000 0.705 472 V HN 0.236 nan 8.190 nan 0.000 0.475 473 I N 1.029 121.449 120.570 -0.250 0.000 2.202 473 I HA -0.140 4.031 4.170 0.001 0.000 0.242 473 I C 2.787 178.810 176.117 -0.157 0.000 1.091 473 I CA 2.117 63.313 61.300 -0.174 0.000 1.368 473 I CB -0.979 36.938 38.000 -0.138 0.000 1.058 473 I HN 0.522 nan 8.210 nan 0.000 0.410 474 S N 0.119 115.722 115.700 -0.161 0.000 2.329 474 S HA -0.156 4.314 4.470 0.001 0.000 0.215 474 S C 1.877 176.359 174.600 -0.197 0.000 1.031 474 S CA 1.142 59.259 58.200 -0.138 0.000 0.985 474 S CB 0.022 63.172 63.200 -0.084 0.000 0.917 474 S HN 0.391 nan 8.310 nan 0.000 0.441 475 Q N -0.189 119.420 119.800 -0.319 0.000 2.123 475 Q HA 0.047 4.388 4.340 0.001 0.000 0.196 475 Q C 0.415 176.088 176.000 -0.545 0.000 0.958 475 Q CA 1.043 56.569 55.803 -0.462 0.000 0.841 475 Q CB -0.296 28.044 28.738 -0.662 0.000 0.915 475 Q HN 0.737 nan 8.270 nan 0.000 0.455 476 H N 0.662 119.561 119.070 -0.285 0.000 2.499 476 H HA 0.190 4.747 4.556 0.001 0.000 0.262 476 H C 1.039 176.259 175.328 -0.180 0.000 1.363 476 H CA -0.207 55.710 56.048 -0.218 0.000 1.072 476 H CB 0.516 30.131 29.762 -0.246 0.000 1.602 476 H HN 0.057 nan 8.280 nan 0.000 0.526 477 Q N 0.591 120.337 119.800 -0.091 0.000 2.224 477 Q HA -0.052 4.289 4.340 0.001 0.000 0.203 477 Q C 2.231 178.197 176.000 -0.058 0.000 0.970 477 Q CA 0.976 56.730 55.803 -0.081 0.000 0.865 477 Q CB 0.147 28.832 28.738 -0.088 0.000 0.922 477 Q HN 0.672 nan 8.270 nan 0.000 0.445 478 A N 1.006 123.799 122.820 -0.044 0.000 1.902 478 A HA -0.137 4.184 4.320 0.001 0.000 0.217 478 A C 1.991 179.561 177.584 -0.022 0.000 1.181 478 A CA 0.934 52.953 52.037 -0.030 0.000 0.623 478 A CB -0.597 18.390 19.000 -0.021 0.000 0.818 478 A HN 0.360 nan 8.150 nan 0.000 0.443 479 L N -0.463 120.756 121.223 -0.007 0.000 2.156 479 L HA -0.024 4.317 4.340 0.001 0.000 0.208 479 L C 2.224 179.056 176.870 -0.063 0.000 1.095 479 L CA 1.407 56.226 54.840 -0.034 0.000 0.770 479 L CB -0.641 41.388 42.059 -0.049 0.000 0.914 479 L HN 0.428 nan 8.230 nan 0.000 0.439 480 L N -0.375 120.809 121.223 -0.066 0.000 2.027 480 L HA -0.101 4.240 4.340 0.001 0.000 0.206 480 L C 2.596 179.428 176.870 -0.062 0.000 1.074 480 L CA 1.249 56.042 54.840 -0.078 0.000 0.745 480 L CB -1.049 40.956 42.059 -0.091 0.000 0.898 480 L HN 0.326 nan 8.230 nan 0.000 0.433 481 G N -0.214 108.553 108.800 -0.055 0.000 2.462 481 G HA2 -0.241 3.720 3.960 0.001 0.000 0.220 481 G HA3 -0.241 3.720 3.960 0.001 0.000 0.220 481 G C 1.606 176.483 174.900 -0.037 0.000 1.121 481 G CA 0.506 45.578 45.100 -0.046 0.000 0.758 481 G HN 0.316 nan 8.290 nan 0.000 0.559 482 K N -0.598 119.779 120.400 -0.038 0.000 2.426 482 K HA 0.316 4.636 4.320 0.001 0.000 0.193 482 K C 1.849 178.428 176.600 -0.034 0.000 1.028 482 K CA -0.061 56.206 56.287 -0.032 0.000 1.047 482 K CB 0.174 32.656 32.500 -0.031 0.000 0.821 482 K HN 0.345 nan 8.250 nan 0.000 0.513 483 I N -0.112 120.433 120.570 -0.041 0.000 2.729 483 I HA -0.091 4.080 4.170 0.001 0.000 0.256 483 I C 2.428 178.530 176.117 -0.024 0.000 1.115 483 I CA 0.232 61.510 61.300 -0.037 0.000 1.446 483 I CB -0.041 37.929 38.000 -0.050 0.000 1.176 483 I HN 0.039 nan 8.210 nan 0.000 0.446 484 R N 1.042 121.526 120.500 -0.027 0.000 2.112 484 R HA -0.213 4.127 4.340 0.001 0.000 0.242 484 R C 2.119 178.413 176.300 -0.009 0.000 1.137 484 R CA 2.628 58.717 56.100 -0.018 0.000 0.944 484 R CB -0.494 29.788 30.300 -0.030 0.000 0.857 484 R HN 0.268 nan 8.270 nan 0.000 0.435 485 T N 0.604 115.150 114.554 -0.013 0.000 2.777 485 T HA -0.076 4.275 4.350 0.001 0.000 0.266 485 T C 1.087 175.783 174.700 -0.005 0.000 1.040 485 T CA 1.501 63.596 62.100 -0.008 0.000 1.141 485 T CB -0.263 68.598 68.868 -0.011 0.000 0.868 485 T HN 0.342 nan 8.240 nan 0.000 0.444 486 D N 0.580 120.975 120.400 -0.008 0.000 2.317 486 D HA 0.162 4.803 4.640 0.001 0.000 0.211 486 D C 1.763 178.062 176.300 -0.002 0.000 0.966 486 D CA 0.773 54.770 54.000 -0.005 0.000 0.876 486 D CB -0.659 40.135 40.800 -0.009 0.000 0.927 486 D HN 0.467 nan 8.370 nan 0.000 0.519 487 G N 1.190 109.989 108.800 -0.001 0.000 2.212 487 G HA2 -0.342 3.618 3.960 0.001 0.000 0.267 487 G HA3 -0.342 3.618 3.960 0.001 0.000 0.267 487 G C 0.348 175.251 174.900 0.005 0.000 1.002 487 G CA 1.082 46.184 45.100 0.003 0.000 0.729 487 G HN 0.531 nan 8.290 nan 0.000 0.517 488 K N -0.529 119.872 120.400 0.002 0.000 2.542 488 K HA 0.508 4.828 4.320 0.001 0.000 0.259 488 K C -0.528 176.072 176.600 0.000 0.000 0.932 488 K CA -1.330 54.961 56.287 0.007 0.000 0.820 488 K CB 1.026 33.530 32.500 0.008 0.000 1.345 488 K HN -0.031 nan 8.250 nan 0.000 0.432 489 I N 4.526 125.101 120.570 0.007 0.000 2.293 489 I HA 0.022 4.192 4.170 0.001 0.000 0.299 489 I C 0.616 176.735 176.117 0.004 0.000 1.153 489 I CA -0.004 61.294 61.300 -0.005 0.000 1.302 489 I CB -0.278 37.729 38.000 0.011 0.000 1.460 489 I HN 0.669 nan 8.210 nan 0.000 0.552 490 S N 4.161 119.856 115.700 -0.008 0.000 2.573 490 S HA 0.100 4.571 4.470 0.001 0.000 0.277 490 S C 1.133 175.735 174.600 0.004 0.000 1.346 490 S CA -0.550 57.650 58.200 -0.000 0.000 1.034 490 S CB 1.195 64.391 63.200 -0.006 0.000 0.879 490 S HN 0.588 nan 8.310 nan 0.000 0.528 491 E N 0.717 120.925 120.200 0.014 0.000 2.171 491 E HA -0.218 4.133 4.350 0.001 0.000 0.197 491 E C 1.813 178.421 176.600 0.012 0.000 0.997 491 E CA 1.244 57.657 56.400 0.021 0.000 0.810 491 E CB -0.084 29.630 29.700 0.022 0.000 0.738 491 E HN 0.760 nan 8.360 nan 0.000 0.467 492 E N 0.462 120.663 120.200 0.002 0.000 2.072 492 E HA -0.098 4.252 4.350 0.001 0.000 0.190 492 E C 2.068 178.656 176.600 -0.021 0.000 0.982 492 E CA 0.809 57.206 56.400 -0.004 0.000 0.803 492 E CB 0.161 29.858 29.700 -0.005 0.000 0.755 492 E HN 0.094 nan 8.360 nan 0.000 0.453 493 S N 0.929 116.608 115.700 -0.034 0.000 2.395 493 S HA -0.119 4.351 4.470 0.001 0.000 0.225 493 S C 1.578 176.115 174.600 -0.106 0.000 1.027 493 S CA 0.809 58.968 58.200 -0.069 0.000 0.965 493 S CB -0.177 62.979 63.200 -0.074 0.000 0.812 493 S HN 0.356 nan 8.310 nan 0.000 0.482 494 D N 1.800 122.157 120.400 -0.072 0.000 2.104 494 D HA -0.124 4.517 4.640 0.001 0.000 0.194 494 D C 1.954 178.248 176.300 -0.010 0.000 0.994 494 D CA 1.368 55.333 54.000 -0.058 0.000 0.830 494 D CB -0.070 40.766 40.800 0.060 0.000 0.959 494 D HN 0.376 nan 8.370 nan 0.000 0.452 495 A N 0.601 123.428 122.820 0.012 0.000 2.014 495 A HA -0.091 4.230 4.320 0.001 0.000 0.218 495 A C 2.180 179.760 177.584 -0.006 0.000 1.163 495 A CA 0.857 52.910 52.037 0.028 0.000 0.652 495 A CB -0.306 18.713 19.000 0.031 0.000 0.808 495 A HN 0.130 nan 8.150 nan 0.000 0.449 496 K N -0.914 119.462 120.400 -0.039 0.000 2.366 496 K HA 0.040 4.361 4.320 0.001 0.000 0.198 496 K C 1.550 178.080 176.600 -0.117 0.000 1.044 496 K CA 0.565 56.816 56.287 -0.060 0.000 0.973 496 K CB -0.066 32.401 32.500 -0.056 0.000 0.767 496 K HN 0.385 nan 8.250 nan 0.000 0.475 497 L N 1.313 122.441 121.223 -0.158 0.000 2.249 497 L HA -0.011 4.330 4.340 0.001 0.000 0.207 497 L C 2.139 178.927 176.870 -0.136 0.000 1.090 497 L CA 1.466 56.166 54.840 -0.234 0.000 0.802 497 L CB -0.299 41.466 42.059 -0.491 0.000 0.947 497 L HN -0.043 nan 8.230 nan 0.000 0.453 498 K N -0.218 120.158 120.400 -0.040 0.000 2.063 498 K HA -0.262 4.059 4.320 0.001 0.000 0.208 498 K C 1.966 178.510 176.600 -0.095 0.000 1.048 498 K CA 1.898 58.170 56.287 -0.026 0.000 0.928 498 K CB -0.100 32.458 32.500 0.097 0.000 0.713 498 K HN 0.422 nan 8.250 nan 0.000 0.442 499 E N 0.350 120.525 120.200 -0.041 0.000 2.070 499 E HA -0.217 4.133 4.350 0.001 0.000 0.197 499 E C 2.050 178.647 176.600 -0.005 0.000 1.004 499 E CA 1.792 58.184 56.400 -0.015 0.000 0.805 499 E CB -0.089 29.607 29.700 -0.007 0.000 0.744 499 E HN 0.370 nan 8.360 nan 0.000 0.451 500 I N 0.216 120.766 120.570 -0.032 0.000 2.233 500 I HA -0.215 3.955 4.170 0.001 0.000 0.243 500 I C 2.475 178.666 176.117 0.124 0.000 1.093 500 I CA 0.817 62.144 61.300 0.045 0.000 1.380 500 I CB -0.205 37.747 38.000 -0.080 0.000 1.067 500 I HN 0.114 nan 8.210 nan 0.000 0.413 501 V N -2.555 117.335 119.914 -0.039 0.000 2.548 501 V HA -0.150 3.970 4.120 0.001 0.000 0.249 501 V C 2.237 178.274 176.094 -0.094 0.000 1.055 501 V CA 1.971 64.163 62.300 -0.181 0.000 1.065 501 V CB -1.392 30.160 31.823 -0.452 0.000 0.681 501 V HN 0.334 nan 8.190 nan 0.000 0.462 502 T N 1.409 115.883 114.554 -0.134 0.000 2.770 502 T HA -0.114 4.236 4.350 0.001 0.000 0.263 502 T C 1.782 176.530 174.700 0.080 0.000 1.039 502 T CA 2.300 64.385 62.100 -0.025 0.000 1.142 502 T CB -0.563 68.297 68.868 -0.014 0.000 0.868 502 T HN 0.632 nan 8.240 nan 0.000 0.435 503 N N 0.198 118.957 118.700 0.099 0.000 2.331 503 N HA 0.088 4.829 4.740 0.001 0.000 0.180 503 N C 1.431 177.032 175.510 0.153 0.000 1.019 503 N CA 0.454 53.573 53.050 0.115 0.000 0.881 503 N CB -0.182 38.371 38.487 0.109 0.000 0.972 503 N HN 0.264 nan 8.380 nan 0.000 0.435 504 F N 1.173 121.163 119.950 0.067 0.000 2.206 504 F HA 0.016 4.543 4.527 0.001 0.000 0.298 504 F C 1.954 177.861 175.800 0.177 0.000 1.090 504 F CA 0.688 58.736 58.000 0.081 0.000 1.323 504 F CB -0.000 39.050 39.000 0.084 0.000 1.028 504 F HN 0.018 nan 8.300 nan 0.000 0.492 505 L N 0.256 121.712 121.223 0.389 0.000 2.056 505 L HA -0.115 4.226 4.340 0.001 0.000 0.207 505 L C 2.381 179.385 176.870 0.223 0.000 1.078 505 L CA 2.050 57.096 54.840 0.343 0.000 0.749 505 L CB -1.439 40.734 42.059 0.190 0.000 0.901 505 L HN 0.267 nan 8.230 nan 0.000 0.433 506 A N -0.334 122.569 122.820 0.139 0.000 1.930 506 A HA -0.072 4.249 4.320 0.001 0.000 0.217 506 A C 2.308 179.923 177.584 0.053 0.000 1.175 506 A CA 1.374 53.464 52.037 0.088 0.000 0.627 506 A CB -1.140 17.899 19.000 0.064 0.000 0.815 506 A HN 0.495 nan 8.150 nan 0.000 0.443 507 G N -1.297 107.507 108.800 0.007 0.000 2.443 507 G HA2 -0.013 3.947 3.960 0.001 0.000 0.219 507 G HA3 -0.013 3.947 3.960 0.001 0.000 0.219 507 G C 0.538 175.378 174.900 -0.101 0.000 1.131 507 G CA 0.239 45.288 45.100 -0.085 0.000 0.775 507 G HN 0.386 nan 8.290 nan 0.000 0.547 508 F N 1.511 121.349 119.950 -0.188 0.000 2.608 508 F HA 0.316 4.844 4.527 0.001 0.000 0.380 508 F C 0.345 176.119 175.800 -0.044 0.000 1.083 508 F CA -0.654 57.271 58.000 -0.126 0.000 1.266 508 F CB 0.765 39.831 39.000 0.110 0.000 1.076 508 F HN -0.027 nan 8.300 nan 0.000 0.574 509 E N 5.118 124.874 120.200 -0.740 0.000 2.055 509 E HA 0.514 4.865 4.350 0.001 0.000 0.274 509 E C -0.371 175.834 176.600 -0.657 0.000 0.949 509 E CA -0.438 55.655 56.400 -0.510 0.000 0.775 509 E CB 0.772 30.262 29.700 -0.350 0.000 1.097 509 E HN 0.725 nan 8.360 nan 0.000 0.404 510 A N 0.000 122.648 122.820 -0.287 0.000 2.254 510 A HA 0.000 4.321 4.320 0.001 0.000 0.244 510 A CA 0.000 51.993 52.037 -0.073 0.000 0.836 510 A CB 0.000 19.066 19.000 0.111 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486