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 3oeh_1_K DATA FIRST_RESID 21 DATA SEQUENCE VSDEANLNET GRVLAVGDGI ARVFGLNNIQ AEELVEFSSG VKGMALNLEP DATA SEQUENCE GQVGIVLFGS DRLVKEGELV KRTGNIVDVP VGPGLLGRVV DALGNPIDGK DATA SEQUENCE GPIDAAGRSR AQVKAPGILP RRSVHEPVQT GLKAVDALVP IGRGQRELII DATA SEQUENCE GDRQTGKTAV ALDTILNQKR WNNGSDESKK LYCVYVAVGQ KRSTVAQLVQ DATA SEQUENCE TLEQHDAMKY SIIVAATASE AAPLQYLAPF TAASIGEWFR DNGKHALIVY DATA SEQUENCE DDLSKQAVAY RQLSLLLRRP PGREAYPGDV FYLHSRLLER AAKLSEKEGS DATA SEQUENCE GSLTALPVIE TQGGDVSAYI PTNVISITDG QIFLEAELFY KGIRPAINVG DATA SEQUENCE LSVSRVGSAA QVKALKQVAG SLKLFLAQYR EVAAFAQXXX DLDASTKQTL DATA SEQUENCE VRGERLTQLL KQNQYSPLAT EEQVPLIYAG VNGHLDGIEL SRIGEFESSF DATA SEQUENCE LSYLKSNHNE LLTEIREKGE LSKELLASLK SATESFVAT 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 21 V HA 0.000 nan 4.120 nan 0.000 0.244 21 V C 0.000 176.125 176.094 0.051 0.000 1.182 21 V CA 0.000 62.320 62.300 0.033 0.000 1.235 21 V CB 0.000 31.840 31.823 0.028 0.000 1.184 22 S N 1.154 116.889 115.700 0.058 0.000 2.931 22 S HA 0.226 4.696 4.470 -0.000 0.000 0.251 22 S C 0.461 175.141 174.600 0.133 0.000 1.078 22 S CA 0.671 58.920 58.200 0.083 0.000 0.835 22 S CB 0.259 63.489 63.200 0.050 0.000 0.798 22 S HN 0.769 nan 8.310 nan 0.000 0.495 23 D N 2.560 123.020 120.400 0.101 0.000 2.533 23 D HA 0.302 4.941 4.640 -0.000 0.000 0.236 23 D C 1.493 177.866 176.300 0.121 0.000 1.137 23 D CA 0.996 55.065 54.000 0.114 0.000 0.867 23 D CB 1.229 42.067 40.800 0.063 0.000 1.170 23 D HN 0.611 nan 8.370 nan 0.000 0.474 24 E N 2.970 123.263 120.200 0.156 0.000 2.160 24 E HA -0.199 4.150 4.350 -0.000 0.000 0.195 24 E C 2.018 178.577 176.600 -0.070 0.000 0.991 24 E CA 1.736 58.101 56.400 -0.059 0.000 0.810 24 E CB -0.535 29.033 29.700 -0.220 0.000 0.742 24 E HN 0.619 nan 8.360 nan 0.000 0.466 25 A N 1.625 124.437 122.820 -0.014 0.000 1.915 25 A HA -0.311 4.009 4.320 -0.000 0.000 0.220 25 A C 2.091 179.663 177.584 -0.020 0.000 1.198 25 A CA 2.055 54.081 52.037 -0.017 0.000 0.647 25 A CB -0.454 18.548 19.000 0.004 0.000 0.825 25 A HN 0.525 nan 8.150 nan 0.000 0.456 26 N N -0.559 118.138 118.700 -0.005 0.000 2.446 26 N HA 0.083 4.822 4.740 -0.000 0.000 0.179 26 N C 0.027 175.529 175.510 -0.014 0.000 1.054 26 N CA 0.300 53.348 53.050 -0.004 0.000 0.905 26 N CB -0.121 38.373 38.487 0.010 0.000 0.973 26 N HN 0.444 nan 8.380 nan 0.000 0.448 27 L N 1.865 123.071 121.223 -0.028 0.000 2.356 27 L HA 0.209 4.549 4.340 -0.000 0.000 0.282 27 L C 0.872 177.703 176.870 -0.064 0.000 1.132 27 L CA -0.136 54.681 54.840 -0.039 0.000 0.923 27 L CB 0.210 42.245 42.059 -0.040 0.000 1.278 27 L HN 0.035 nan 8.230 nan 0.000 0.436 28 N N 0.465 119.137 118.700 -0.047 0.000 2.782 28 N HA 0.005 4.745 4.740 -0.000 0.000 0.244 28 N C 1.023 176.507 175.510 -0.043 0.000 1.029 28 N CA 0.051 53.072 53.050 -0.048 0.000 0.999 28 N CB 0.576 39.041 38.487 -0.038 0.000 1.634 28 N HN 0.444 nan 8.380 nan 0.000 0.478 29 E N 1.200 121.379 120.200 -0.035 0.000 2.358 29 E HA 0.005 4.355 4.350 -0.000 0.000 0.195 29 E C 0.853 177.427 176.600 -0.043 0.000 1.010 29 E CA 0.668 57.047 56.400 -0.035 0.000 0.856 29 E CB 0.196 29.881 29.700 -0.026 0.000 0.795 29 E HN 0.474 nan 8.360 nan 0.000 0.504 30 T N -2.653 111.876 114.554 -0.040 0.000 2.910 30 T HA 0.767 5.117 4.350 -0.000 0.000 0.287 30 T C 0.243 174.919 174.700 -0.040 0.000 1.050 30 T CA -0.552 61.523 62.100 -0.043 0.000 1.011 30 T CB 2.522 71.375 68.868 -0.024 0.000 1.195 30 T HN 0.016 nan 8.240 nan 0.000 0.540 31 G N -0.032 108.750 108.800 -0.029 0.000 2.677 31 G HA2 0.606 4.565 3.960 -0.000 0.000 0.291 31 G HA3 0.606 4.565 3.960 -0.000 0.000 0.291 31 G C -1.562 173.369 174.900 0.052 0.000 1.435 31 G CA -1.004 44.101 45.100 0.008 0.000 0.826 31 G HN 0.641 nan 8.290 nan 0.000 0.491 32 R N -0.300 120.276 120.500 0.126 0.000 2.540 32 R HA 0.589 4.928 4.340 -0.000 0.000 0.287 32 R C -0.122 176.264 176.300 0.144 0.000 0.980 32 R CA -0.765 55.413 56.100 0.129 0.000 0.966 32 R CB 1.834 32.218 30.300 0.140 0.000 1.106 32 R HN 0.317 nan 8.270 nan 0.000 0.480 33 V N 4.355 124.346 119.914 0.128 0.000 2.614 33 V HA 0.095 4.215 4.120 -0.000 0.000 0.291 33 V C 1.579 177.730 176.094 0.095 0.000 1.049 33 V CA 0.131 62.514 62.300 0.139 0.000 1.038 33 V CB 1.079 33.001 31.823 0.164 0.000 0.980 33 V HN 0.632 nan 8.190 nan 0.000 0.481 34 L N 3.502 124.781 121.223 0.093 0.000 2.388 34 L HA 0.585 4.924 4.340 -0.000 0.000 0.209 34 L C 0.723 177.612 176.870 0.033 0.000 1.061 34 L CA 0.836 55.706 54.840 0.051 0.000 0.834 34 L CB 0.228 42.330 42.059 0.070 0.000 1.029 34 L HN 0.765 nan 8.230 nan 0.000 0.473 35 A N -0.592 122.255 122.820 0.045 0.000 2.590 35 A HA 0.597 4.917 4.320 -0.000 0.000 0.296 35 A C -1.871 175.729 177.584 0.028 0.000 1.050 35 A CA -0.368 51.685 52.037 0.027 0.000 0.697 35 A CB 1.670 20.681 19.000 0.018 0.000 1.277 35 A HN -0.222 nan 8.150 nan 0.000 0.411 36 V N 0.971 120.890 119.914 0.007 0.000 2.733 36 V HA 0.926 5.046 4.120 -0.000 0.000 0.306 36 V C -0.007 176.074 176.094 -0.022 0.000 1.084 36 V CA 0.859 63.152 62.300 -0.010 0.000 0.905 36 V CB 1.758 33.561 31.823 -0.033 0.000 1.010 36 V HN 2.308 nan 8.190 nan 0.000 0.424 37 G N 3.118 111.902 108.800 -0.026 0.000 2.608 37 G HA2 0.535 4.495 3.960 -0.000 0.000 0.291 37 G HA3 0.535 4.495 3.960 -0.000 0.000 0.291 37 G C -0.764 174.115 174.900 -0.034 0.000 1.425 37 G CA 0.018 45.100 45.100 -0.029 0.000 0.787 37 G HN 0.755 nan 8.290 nan 0.000 0.484 38 D N -0.955 119.425 120.400 -0.034 0.000 2.739 38 D HA -0.154 4.486 4.640 -0.000 0.000 0.230 38 D C 1.686 177.959 176.300 -0.045 0.000 1.167 38 D CA 2.921 56.898 54.000 -0.038 0.000 0.640 38 D CB -1.151 39.627 40.800 -0.036 0.000 1.045 38 D HN 2.098 nan 8.370 nan 0.000 0.421 39 G N -1.368 107.401 108.800 -0.051 0.000 2.184 39 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.264 39 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.264 39 G C 0.213 175.072 174.900 -0.068 0.000 0.975 39 G CA 0.338 45.401 45.100 -0.063 0.000 0.642 39 G HN 0.512 nan 8.290 nan 0.000 0.536 40 I N 0.669 121.209 120.570 -0.050 0.000 2.389 40 I HA 0.721 4.891 4.170 -0.000 0.000 0.288 40 I C 0.485 176.595 176.117 -0.010 0.000 0.999 40 I CA -1.026 60.257 61.300 -0.028 0.000 1.129 40 I CB 1.078 39.067 38.000 -0.017 0.000 1.288 40 I HN 0.284 nan 8.210 nan 0.000 0.444 41 A N 7.237 130.072 122.820 0.025 0.000 2.306 41 A HA 0.739 5.059 4.320 -0.000 0.000 0.314 41 A C -0.004 177.646 177.584 0.110 0.000 1.164 41 A CA -0.671 51.413 52.037 0.078 0.000 0.822 41 A CB 0.825 19.921 19.000 0.160 0.000 1.130 41 A HN 0.747 nan 8.150 nan 0.000 0.496 42 R N 1.016 121.577 120.500 0.100 0.000 2.393 42 R HA 0.592 4.932 4.340 -0.000 0.000 0.310 42 R C -1.346 175.029 176.300 0.126 0.000 0.968 42 R CA -0.463 55.695 56.100 0.097 0.000 0.867 42 R CB 1.949 32.292 30.300 0.073 0.000 1.124 42 R HN 0.457 nan 8.270 nan 0.000 0.450 43 V N 3.868 123.854 119.914 0.120 0.000 2.656 43 V HA 0.335 4.455 4.120 -0.000 0.000 0.307 43 V C -0.950 175.239 176.094 0.157 0.000 1.051 43 V CA -0.815 61.562 62.300 0.129 0.000 0.893 43 V CB 1.814 33.681 31.823 0.073 0.000 0.999 43 V HN 0.564 nan 8.190 nan 0.000 0.426 44 F N 4.333 124.294 119.950 0.017 0.000 2.404 44 F HA 0.753 5.280 4.527 -0.000 0.000 0.358 44 F C 0.744 176.545 175.800 0.002 0.000 1.120 44 F CA 1.149 59.154 58.000 0.010 0.000 1.144 44 F CB 0.624 39.631 39.000 0.011 0.000 1.133 44 F HN 0.864 nan 8.300 nan 0.000 0.495 45 G N 4.164 112.751 108.800 -0.356 0.000 2.358 45 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.198 45 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.198 45 G C -0.023 174.787 174.900 -0.150 0.000 1.220 45 G CA -0.527 44.415 45.100 -0.262 0.000 1.187 45 G HN 1.065 nan 8.290 nan 0.000 0.544 46 L N 0.037 121.200 121.223 -0.099 0.000 3.678 46 L HA -0.220 4.120 4.340 -0.000 0.000 0.425 46 L C 1.549 178.373 176.870 -0.076 0.000 1.240 46 L CA 0.509 55.303 54.840 -0.077 0.000 0.876 46 L CB -1.411 40.608 42.059 -0.066 0.000 1.766 46 L HN 0.624 nan 8.230 nan 0.000 0.917 47 N N 0.227 118.874 118.700 -0.089 0.000 2.289 47 N HA -0.110 4.630 4.740 -0.000 0.000 0.184 47 N C 1.244 176.721 175.510 -0.054 0.000 1.016 47 N CA 1.500 54.501 53.050 -0.081 0.000 0.872 47 N CB -0.121 38.312 38.487 -0.090 0.000 0.973 47 N HN 0.566 nan 8.380 nan 0.000 0.433 48 N N 0.397 119.070 118.700 -0.046 0.000 2.280 48 N HA 0.148 4.888 4.740 -0.000 0.000 0.192 48 N C 0.274 175.767 175.510 -0.028 0.000 1.109 48 N CA -0.111 52.918 53.050 -0.034 0.000 0.855 48 N CB 0.677 39.146 38.487 -0.030 0.000 0.974 48 N HN 0.293 nan 8.380 nan 0.000 0.482 49 I N 1.326 121.877 120.570 -0.032 0.000 2.588 49 I HA -0.045 4.125 4.170 -0.000 0.000 0.283 49 I C 0.043 176.151 176.117 -0.015 0.000 1.119 49 I CA -0.252 61.033 61.300 -0.025 0.000 1.419 49 I CB 0.601 38.584 38.000 -0.029 0.000 1.394 49 I HN 0.050 nan 8.210 nan 0.000 0.562 50 Q N 5.801 125.596 119.800 -0.008 0.000 2.314 50 Q HA 0.378 4.718 4.340 -0.000 0.000 0.258 50 Q C -0.043 175.961 176.000 0.006 0.000 0.954 50 Q CA -0.718 55.085 55.803 -0.001 0.000 0.890 50 Q CB 1.182 29.921 28.738 0.002 0.000 1.210 50 Q HN 0.765 nan 8.270 nan 0.000 0.410 51 A N 3.131 125.956 122.820 0.010 0.000 2.545 51 A HA 0.001 4.321 4.320 -0.000 0.000 0.253 51 A C 0.258 177.857 177.584 0.026 0.000 1.074 51 A CA 0.399 52.447 52.037 0.018 0.000 0.760 51 A CB -0.221 18.791 19.000 0.019 0.000 1.005 51 A HN 1.006 nan 8.150 nan 0.000 0.506 52 E N -0.216 120.007 120.200 0.037 0.000 4.027 52 E HA -0.155 4.194 4.350 -0.000 0.000 0.338 52 E C 0.086 176.718 176.600 0.054 0.000 0.738 52 E CA 0.997 57.427 56.400 0.051 0.000 1.334 52 E CB -1.424 28.299 29.700 0.038 0.000 1.687 52 E HN 0.941 nan 8.360 nan 0.000 0.407 53 E N 0.860 121.086 120.200 0.043 0.000 2.383 53 E HA 0.269 4.619 4.350 -0.000 0.000 0.264 53 E C -0.044 176.598 176.600 0.070 0.000 1.050 53 E CA -0.248 56.175 56.400 0.039 0.000 0.896 53 E CB 0.657 30.367 29.700 0.016 0.000 0.982 53 E HN 0.099 nan 8.360 nan 0.000 0.424 54 L N 4.104 125.370 121.223 0.072 0.000 2.453 54 L HA 0.102 4.442 4.340 -0.000 0.000 0.272 54 L C 0.232 177.136 176.870 0.056 0.000 1.182 54 L CA -0.368 54.537 54.840 0.107 0.000 0.858 54 L CB 0.499 42.597 42.059 0.065 0.000 1.120 54 L HN 0.399 nan 8.230 nan 0.000 0.474 55 V N 0.277 120.228 119.914 0.063 0.000 3.345 55 V HA 0.634 4.754 4.120 -0.000 0.000 0.308 55 V C -0.487 175.588 176.094 -0.032 0.000 1.168 55 V CA -0.758 61.504 62.300 -0.063 0.000 1.024 55 V CB 1.778 33.458 31.823 -0.238 0.000 1.211 55 V HN 0.842 nan 8.190 nan 0.000 0.461 56 E N -0.283 119.824 120.200 -0.154 0.000 2.378 56 E HA 0.425 4.775 4.350 -0.000 0.000 0.282 56 E C -1.836 174.714 176.600 -0.085 0.000 0.910 56 E CA -0.491 55.898 56.400 -0.018 0.000 0.816 56 E CB 1.285 30.988 29.700 0.005 0.000 1.359 56 E HN 0.568 nan 8.360 nan 0.000 0.397 57 F N 1.181 121.160 119.950 0.050 0.000 2.368 57 F HA 0.114 4.641 4.527 -0.000 0.000 0.308 57 F C 2.140 177.960 175.800 0.034 0.000 1.198 57 F CA 0.382 58.407 58.000 0.041 0.000 1.130 57 F CB 0.962 39.988 39.000 0.043 0.000 1.300 57 F HN 0.516 nan 8.300 nan 0.000 0.537 58 S N 0.171 116.015 115.700 0.240 0.000 2.387 58 S HA -0.204 4.266 4.470 -0.000 0.000 0.230 58 S C 2.009 176.681 174.600 0.120 0.000 1.035 58 S CA 1.890 60.173 58.200 0.139 0.000 1.014 58 S CB -0.749 62.523 63.200 0.120 0.000 0.836 58 S HN 0.695 nan 8.310 nan 0.000 0.466 59 S N -0.736 115.048 115.700 0.140 0.000 2.527 59 S HA 0.404 4.874 4.470 -0.000 0.000 0.222 59 S C 1.671 176.325 174.600 0.089 0.000 0.985 59 S CA 0.933 59.186 58.200 0.089 0.000 0.921 59 S CB -0.299 62.936 63.200 0.057 0.000 0.772 59 S HN 1.391 nan 8.310 nan 0.000 0.529 60 G N 0.260 109.135 108.800 0.125 0.000 2.307 60 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.210 60 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.210 60 G C 0.184 175.166 174.900 0.138 0.000 1.005 60 G CA -0.154 45.011 45.100 0.108 0.000 0.634 60 G HN 0.920 nan 8.290 nan 0.000 0.496 61 V N 2.496 122.501 119.914 0.152 0.000 2.901 61 V HA 0.460 4.580 4.120 -0.000 0.000 0.307 61 V C 0.449 176.736 176.094 0.322 0.000 1.084 61 V CA 0.153 62.555 62.300 0.170 0.000 1.184 61 V CB 0.996 32.861 31.823 0.070 0.000 0.941 61 V HN 0.330 nan 8.190 nan 0.000 0.493 62 K N 4.155 124.744 120.400 0.316 0.000 2.106 62 K HA 0.735 5.055 4.320 -0.000 0.000 0.246 62 K C 0.114 177.077 176.600 0.605 0.000 0.987 62 K CA 0.106 56.635 56.287 0.404 0.000 0.904 62 K CB 1.568 34.221 32.500 0.255 0.000 1.071 62 K HN 0.945 nan 8.250 nan 0.000 0.453 63 G N -0.222 108.937 108.800 0.599 0.000 2.766 63 G HA2 0.675 4.635 3.960 -0.000 0.000 0.288 63 G HA3 0.675 4.635 3.960 -0.000 0.000 0.288 63 G C -1.520 173.625 174.900 0.409 0.000 1.408 63 G CA -0.614 44.784 45.100 0.497 0.000 0.852 63 G HN 0.429 nan 8.290 nan 0.000 0.487 64 M N 0.634 120.335 119.600 0.168 0.000 2.393 64 M HA 0.645 5.125 4.480 -0.000 0.000 0.299 64 M C -0.633 175.720 176.300 0.087 0.000 1.103 64 M CA -0.942 54.470 55.300 0.187 0.000 0.910 64 M CB 2.174 34.917 32.600 0.238 0.000 1.659 64 M HN 0.708 nan 8.290 nan 0.000 0.445 65 A N 4.589 127.457 122.820 0.079 0.000 2.671 65 A HA 0.309 4.629 4.320 -0.000 0.000 0.306 65 A C 0.293 177.907 177.584 0.050 0.000 1.473 65 A CA -0.381 51.685 52.037 0.050 0.000 1.155 65 A CB -0.296 18.723 19.000 0.030 0.000 1.123 65 A HN 0.979 nan 8.150 nan 0.000 0.545 66 L N 2.650 123.901 121.223 0.046 0.000 1.982 66 L HA 0.077 4.416 4.340 -0.000 0.000 0.206 66 L C 0.921 177.815 176.870 0.040 0.000 1.078 66 L CA 1.784 56.654 54.840 0.049 0.000 0.749 66 L CB -0.180 41.904 42.059 0.043 0.000 0.894 66 L HN 0.831 nan 8.230 nan 0.000 0.436 67 N N -0.418 118.301 118.700 0.031 0.000 2.319 67 N HA 0.443 5.183 4.740 -0.000 0.000 0.305 67 N C -1.580 173.942 175.510 0.019 0.000 1.103 67 N CA -0.577 52.488 53.050 0.025 0.000 0.815 67 N CB 0.985 39.486 38.487 0.022 0.000 1.288 67 N HN 0.183 nan 8.380 nan 0.000 0.493 68 L N 0.260 121.492 121.223 0.014 0.000 2.343 68 L HA 0.555 4.895 4.340 -0.000 0.000 0.278 68 L C -0.028 176.844 176.870 0.003 0.000 0.996 68 L CA -0.719 54.124 54.840 0.005 0.000 0.831 68 L CB 1.333 43.392 42.059 -0.001 0.000 1.232 68 L HN 0.486 nan 8.230 nan 0.000 0.413 69 E N 3.339 123.541 120.200 0.004 0.000 2.232 69 E HA 0.415 4.765 4.350 -0.000 0.000 0.264 69 E C -2.379 174.219 176.600 -0.004 0.000 0.973 69 E CA -2.103 54.300 56.400 0.005 0.000 0.849 69 E CB 1.345 31.055 29.700 0.016 0.000 1.198 69 E HN 0.349 nan 8.360 nan 0.000 0.407 70 P HA -0.064 nan 4.420 nan 0.000 0.256 70 P C 0.521 177.823 177.300 0.004 0.000 1.189 70 P CA 1.006 64.104 63.100 -0.004 0.000 0.808 70 P CB -0.078 31.625 31.700 0.005 0.000 0.793 71 G N 2.560 111.345 108.800 -0.026 0.000 2.234 71 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.235 71 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.235 71 G C -0.087 174.816 174.900 0.005 0.000 0.997 71 G CA 0.331 45.422 45.100 -0.015 0.000 0.623 71 G HN 0.788 nan 8.290 nan 0.000 0.514 72 Q N -1.080 118.728 119.800 0.013 0.000 2.534 72 Q HA 0.713 5.053 4.340 -0.000 0.000 0.290 72 Q C -1.541 174.469 176.000 0.017 0.000 0.991 72 Q CA -1.051 54.777 55.803 0.042 0.000 0.783 72 Q CB 2.416 31.216 28.738 0.104 0.000 1.470 72 Q HN 0.563 nan 8.270 nan 0.000 0.406 73 V N 1.004 120.934 119.914 0.027 0.000 2.443 73 V HA 0.659 4.779 4.120 -0.000 0.000 0.293 73 V C 0.232 176.353 176.094 0.045 0.000 1.021 73 V CA -0.289 62.024 62.300 0.022 0.000 0.848 73 V CB 1.368 33.194 31.823 0.005 0.000 0.998 73 V HN 0.856 nan 8.190 nan 0.000 0.424 74 G N 4.534 113.359 108.800 0.041 0.000 2.370 74 G HA2 0.653 4.613 3.960 -0.000 0.000 0.272 74 G HA3 0.653 4.613 3.960 -0.000 0.000 0.272 74 G C -0.781 174.149 174.900 0.051 0.000 1.208 74 G CA -0.175 44.953 45.100 0.047 0.000 0.856 74 G HN 0.595 nan 8.290 nan 0.000 0.500 75 I N 1.309 121.924 120.570 0.075 0.000 2.569 75 I HA 0.249 4.419 4.170 -0.000 0.000 0.296 75 I C -0.323 175.819 176.117 0.042 0.000 1.028 75 I CA -0.978 60.375 61.300 0.088 0.000 1.082 75 I CB 2.779 40.889 38.000 0.184 0.000 1.264 75 I HN 0.147 nan 8.210 nan 0.000 0.429 76 V N 6.643 126.538 119.914 -0.031 0.000 2.348 76 V HA 0.285 4.405 4.120 -0.000 0.000 0.270 76 V C 0.247 176.169 176.094 -0.287 0.000 1.037 76 V CA -0.627 61.586 62.300 -0.146 0.000 0.872 76 V CB 0.722 32.442 31.823 -0.172 0.000 1.002 76 V HN 0.435 nan 8.190 nan 0.000 0.464 77 L N 4.783 125.888 121.223 -0.197 0.000 2.453 77 L HA 0.217 4.557 4.340 -0.000 0.000 0.272 77 L C 0.546 177.275 176.870 -0.236 0.000 1.182 77 L CA 0.174 54.909 54.840 -0.175 0.000 0.858 77 L CB 0.121 42.078 42.059 -0.170 0.000 1.120 77 L HN 0.541 nan 8.230 nan 0.000 0.474 78 F N 1.216 121.207 119.950 0.069 0.000 2.645 78 F HA 0.302 4.828 4.527 -0.000 0.000 0.300 78 F C 1.175 176.998 175.800 0.039 0.000 1.115 78 F CA -0.136 57.903 58.000 0.065 0.000 1.355 78 F CB 0.335 39.379 39.000 0.074 0.000 1.026 78 F HN 0.534 nan 8.300 nan 0.000 0.536 79 G N -1.262 107.613 108.800 0.126 0.000 3.058 79 G HA2 0.359 4.318 3.960 -0.000 0.000 0.282 79 G HA3 0.359 4.318 3.960 -0.000 0.000 0.282 79 G C -0.872 174.034 174.900 0.010 0.000 1.248 79 G CA -0.533 44.609 45.100 0.070 0.000 0.822 79 G HN -0.078 nan 8.290 nan 0.000 0.579 80 S N -0.957 114.740 115.700 -0.005 0.000 2.589 80 S HA 0.215 4.685 4.470 -0.000 0.000 0.265 80 S C 0.795 175.355 174.600 -0.067 0.000 1.342 80 S CA 0.037 58.222 58.200 -0.025 0.000 1.005 80 S CB 0.648 63.838 63.200 -0.016 0.000 0.909 80 S HN 0.399 nan 8.310 nan 0.000 0.555 81 D N 1.567 121.928 120.400 -0.065 0.000 2.194 81 D HA -0.020 4.619 4.640 -0.000 0.000 0.204 81 D C 1.930 178.179 176.300 -0.086 0.000 0.964 81 D CA 0.644 54.590 54.000 -0.090 0.000 0.846 81 D CB -0.297 40.464 40.800 -0.066 0.000 0.962 81 D HN 0.611 nan 8.370 nan 0.000 0.490 82 R N 0.831 121.297 120.500 -0.057 0.000 2.133 82 R HA -0.100 4.240 4.340 -0.000 0.000 0.247 82 R C 1.669 177.938 176.300 -0.052 0.000 1.151 82 R CA 0.900 56.974 56.100 -0.043 0.000 0.971 82 R CB -0.351 29.934 30.300 -0.026 0.000 0.866 82 R HN 0.188 nan 8.270 nan 0.000 0.447 83 L N 1.087 122.269 121.223 -0.068 0.000 2.711 83 L HA 0.078 4.418 4.340 -0.000 0.000 0.242 83 L C -0.473 176.323 176.870 -0.123 0.000 1.153 83 L CA -0.109 54.688 54.840 -0.071 0.000 0.898 83 L CB 0.378 42.402 42.059 -0.058 0.000 1.044 83 L HN -0.008 nan 8.230 nan 0.000 0.437 84 V N -0.699 119.124 119.914 -0.151 0.000 2.808 84 V HA 0.383 4.503 4.120 -0.000 0.000 0.308 84 V C -0.428 175.626 176.094 -0.068 0.000 1.099 84 V CA -0.977 61.223 62.300 -0.167 0.000 0.920 84 V CB 2.445 34.014 31.823 -0.424 0.000 1.014 84 V HN 0.086 nan 8.190 nan 0.000 0.425 85 K N 1.501 121.898 120.400 -0.004 0.000 2.400 85 K HA 0.544 4.864 4.320 -0.000 0.000 0.246 85 K C -0.701 175.922 176.600 0.038 0.000 0.995 85 K CA -0.915 55.379 56.287 0.012 0.000 0.840 85 K CB 2.714 35.223 32.500 0.015 0.000 1.293 85 K HN 0.792 nan 8.250 nan 0.000 0.445 86 E N 0.270 120.486 120.200 0.027 0.000 2.366 86 E HA 0.110 4.460 4.350 -0.000 0.000 0.266 86 E C 0.438 177.059 176.600 0.035 0.000 1.015 86 E CA 0.969 57.389 56.400 0.032 0.000 0.906 86 E CB 0.199 29.908 29.700 0.015 0.000 0.979 86 E HN 0.757 nan 8.360 nan 0.000 0.443 87 G N 3.967 112.794 108.800 0.046 0.000 2.284 87 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.216 87 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.216 87 G C 0.169 175.106 174.900 0.062 0.000 1.009 87 G CA 0.064 45.189 45.100 0.042 0.000 0.625 87 G HN 0.620 nan 8.290 nan 0.000 0.501 88 E N 0.274 120.524 120.200 0.082 0.000 2.459 88 E HA 0.292 4.642 4.350 -0.000 0.000 0.264 88 E C 0.146 176.808 176.600 0.103 0.000 1.055 88 E CA -0.297 56.164 56.400 0.103 0.000 0.957 88 E CB 0.667 30.456 29.700 0.149 0.000 0.952 88 E HN 0.271 nan 8.360 nan 0.000 0.448 89 L N 3.184 124.456 121.223 0.081 0.000 2.371 89 L HA 0.175 4.515 4.340 -0.000 0.000 0.272 89 L C -0.907 175.974 176.870 0.019 0.000 1.124 89 L CA 0.002 54.870 54.840 0.047 0.000 0.816 89 L CB 1.273 43.351 42.059 0.032 0.000 1.129 89 L HN 0.195 nan 8.230 nan 0.000 0.448 90 V N 3.608 123.483 119.914 -0.064 0.000 2.656 90 V HA 0.558 4.678 4.120 -0.000 0.000 0.307 90 V C -0.601 175.387 176.094 -0.177 0.000 1.051 90 V CA -1.058 61.099 62.300 -0.239 0.000 0.893 90 V CB 1.812 33.381 31.823 -0.424 0.000 0.999 90 V HN 0.662 nan 8.190 nan 0.000 0.426 91 K N 3.029 123.318 120.400 -0.185 0.000 2.270 91 K HA 0.633 4.953 4.320 -0.000 0.000 0.255 91 K C -0.287 176.247 176.600 -0.110 0.000 0.936 91 K CA -0.839 55.383 56.287 -0.109 0.000 0.809 91 K CB 2.504 34.967 32.500 -0.062 0.000 1.131 91 K HN 0.550 nan 8.250 nan 0.000 0.427 92 R N 0.300 120.754 120.500 -0.078 0.000 2.905 92 R HA 0.005 4.345 4.340 -0.000 0.000 0.273 92 R C 0.547 176.824 176.300 -0.038 0.000 1.033 92 R CA 0.515 56.581 56.100 -0.056 0.000 1.182 92 R CB 0.264 30.539 30.300 -0.041 0.000 1.097 92 R HN 0.654 nan 8.270 nan 0.000 0.504 93 T N -1.198 113.342 114.554 -0.024 0.000 3.010 93 T HA 0.186 4.536 4.350 -0.000 0.000 0.252 93 T C 1.017 175.709 174.700 -0.012 0.000 0.963 93 T CA 0.477 62.568 62.100 -0.015 0.000 0.952 93 T CB 0.752 69.616 68.868 -0.006 0.000 1.182 93 T HN 0.874 nan 8.240 nan 0.000 0.495 94 G N 2.216 111.009 108.800 -0.011 0.000 2.258 94 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.233 94 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.233 94 G C -0.062 174.834 174.900 -0.006 0.000 1.006 94 G CA -0.272 44.822 45.100 -0.009 0.000 0.620 94 G HN 0.475 nan 8.290 nan 0.000 0.511 95 N N 1.405 120.102 118.700 -0.005 0.000 2.421 95 N HA 0.513 5.253 4.740 -0.000 0.000 0.285 95 N C 0.486 175.997 175.510 0.002 0.000 1.027 95 N CA -0.588 52.460 53.050 -0.004 0.000 0.918 95 N CB 1.339 39.821 38.487 -0.009 0.000 1.152 95 N HN 0.135 nan 8.380 nan 0.000 0.485 96 I N 1.332 121.904 120.570 0.003 0.000 2.775 96 I HA -0.074 4.096 4.170 -0.000 0.000 0.290 96 I C 0.889 177.007 176.117 0.002 0.000 1.203 96 I CA -0.215 61.090 61.300 0.008 0.000 1.433 96 I CB -0.276 37.726 38.000 0.003 0.000 1.354 96 I HN 0.198 nan 8.210 nan 0.000 0.579 97 V N 6.870 126.792 119.914 0.012 0.000 2.795 97 V HA -0.148 3.972 4.120 -0.000 0.000 0.298 97 V C 0.414 176.487 176.094 -0.036 0.000 1.107 97 V CA 0.597 62.889 62.300 -0.013 0.000 1.270 97 V CB -1.128 30.700 31.823 0.009 0.000 0.831 97 V HN 0.942 nan 8.190 nan 0.000 0.473 98 D N 4.239 124.609 120.400 -0.049 0.000 2.592 98 D HA 0.739 5.379 4.640 -0.000 0.000 0.263 98 D C -0.674 175.598 176.300 -0.047 0.000 1.132 98 D CA -0.633 53.345 54.000 -0.036 0.000 0.996 98 D CB 2.263 43.050 40.800 -0.022 0.000 1.442 98 D HN 0.433 nan 8.370 nan 0.000 0.486 99 V N -4.407 115.490 119.914 -0.028 0.000 2.876 99 V HA 0.664 4.784 4.120 -0.000 0.000 0.312 99 V C -2.934 173.142 176.094 -0.029 0.000 1.085 99 V CA -2.371 59.911 62.300 -0.031 0.000 0.945 99 V CB 1.723 33.535 31.823 -0.018 0.000 1.017 99 V HN 0.416 nan 8.190 nan 0.000 0.428 100 P HA 0.383 nan 4.420 nan 0.000 0.271 100 P C -0.452 176.807 177.300 -0.068 0.000 1.233 100 P CA 0.087 63.156 63.100 -0.052 0.000 0.764 100 P CB 0.953 32.621 31.700 -0.053 0.000 0.825 101 V N 1.009 120.866 119.914 -0.095 0.000 3.040 101 V HA 1.045 5.165 4.120 -0.000 0.000 0.312 101 V C 0.049 175.942 176.094 -0.335 0.000 1.115 101 V CA -0.385 61.829 62.300 -0.143 0.000 0.998 101 V CB 1.687 33.481 31.823 -0.049 0.000 1.042 101 V HN 0.855 nan 8.190 nan 0.000 0.433 102 G N 2.101 110.531 108.800 -0.617 0.000 2.357 102 G HA2 0.319 4.279 3.960 -0.000 0.000 0.289 102 G HA3 0.319 4.279 3.960 -0.000 0.000 0.289 102 G C -2.935 171.260 174.900 -1.176 0.000 1.302 102 G CA 0.149 44.517 45.100 -1.220 0.000 0.936 102 G HN 0.677 nan 8.290 nan 0.000 0.513 103 P HA 0.163 nan 4.420 nan 0.000 0.245 103 P C 1.564 178.691 177.300 -0.288 0.000 1.203 103 P CA 1.316 63.964 63.100 -0.754 0.000 0.792 103 P CB 0.296 31.559 31.700 -0.727 0.000 0.997 104 G N 0.038 108.670 108.800 -0.280 0.000 2.776 104 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.209 104 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.209 104 G C 1.001 175.850 174.900 -0.085 0.000 1.145 104 G CA 0.115 45.130 45.100 -0.140 0.000 0.791 104 G HN 0.167 nan 8.290 nan 0.000 0.530 105 L N 0.001 121.175 121.223 -0.081 0.000 2.529 105 L HA 0.296 4.636 4.340 -0.000 0.000 0.223 105 L C 0.645 177.540 176.870 0.041 0.000 1.113 105 L CA -0.030 54.798 54.840 -0.019 0.000 0.861 105 L CB -0.106 41.944 42.059 -0.014 0.000 1.012 105 L HN 0.020 nan 8.230 nan 0.000 0.461 106 L N 1.239 122.507 121.223 0.075 0.000 2.597 106 L HA 0.244 4.584 4.340 -0.000 0.000 0.271 106 L C 1.376 178.289 176.870 0.072 0.000 1.157 106 L CA 0.864 55.781 54.840 0.128 0.000 0.928 106 L CB -0.703 41.480 42.059 0.206 0.000 1.216 106 L HN 0.434 nan 8.230 nan 0.000 0.481 107 G N 2.988 111.815 108.800 0.045 0.000 2.141 107 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.231 107 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.231 107 G C 0.431 175.330 174.900 -0.001 0.000 0.984 107 G CA -0.425 44.677 45.100 0.002 0.000 0.660 107 G HN 0.428 nan 8.290 nan 0.000 0.525 108 R N -0.124 120.382 120.500 0.010 0.000 2.514 108 R HA 0.610 4.950 4.340 -0.000 0.000 0.301 108 R C -0.238 176.068 176.300 0.010 0.000 0.962 108 R CA -0.743 55.359 56.100 0.004 0.000 0.882 108 R CB 1.966 32.267 30.300 0.001 0.000 1.143 108 R HN 0.133 nan 8.270 nan 0.000 0.452 109 V N 4.192 124.110 119.914 0.007 0.000 2.385 109 V HA 0.235 4.355 4.120 -0.000 0.000 0.269 109 V C 0.502 176.605 176.094 0.015 0.000 1.043 109 V CA -0.548 61.761 62.300 0.015 0.000 0.906 109 V CB 1.274 33.103 31.823 0.010 0.000 0.995 109 V HN 0.547 nan 8.190 nan 0.000 0.467 110 V N 2.251 122.178 119.914 0.022 0.000 3.096 110 V HA 0.765 4.885 4.120 -0.000 0.000 0.319 110 V C -0.145 175.962 176.094 0.022 0.000 1.103 110 V CA -0.870 61.439 62.300 0.015 0.000 1.016 110 V CB 1.992 33.822 31.823 0.010 0.000 1.090 110 V HN 0.789 nan 8.190 nan 0.000 0.449 111 D N 1.381 121.788 120.400 0.012 0.000 2.511 111 D HA 0.481 5.120 4.640 -0.000 0.000 0.276 111 D C 1.209 177.511 176.300 0.004 0.000 1.220 111 D CA 0.038 54.047 54.000 0.014 0.000 1.077 111 D CB 1.521 42.327 40.800 0.010 0.000 1.126 111 D HN 0.758 nan 8.370 nan 0.000 0.583 112 A N -0.283 122.538 122.820 0.001 0.000 1.908 112 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 112 A C 2.374 179.920 177.584 -0.063 0.000 1.181 112 A CA 1.300 53.328 52.037 -0.015 0.000 0.627 112 A CB -0.970 18.028 19.000 -0.004 0.000 0.818 112 A HN 0.544 nan 8.150 nan 0.000 0.445 113 L N -1.293 119.868 121.223 -0.104 0.000 2.599 113 L HA 0.180 4.520 4.340 -0.000 0.000 0.230 113 L C 1.579 178.400 176.870 -0.082 0.000 1.141 113 L CA 0.535 55.289 54.840 -0.143 0.000 0.877 113 L CB -0.068 41.866 42.059 -0.208 0.000 1.009 113 L HN 0.636 nan 8.230 nan 0.000 0.447 114 G N -0.372 108.400 108.800 -0.047 0.000 2.132 114 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.234 114 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.234 114 G C -0.061 174.822 174.900 -0.027 0.000 0.989 114 G CA -0.165 44.917 45.100 -0.029 0.000 0.676 114 G HN 0.374 nan 8.290 nan 0.000 0.522 115 N N 1.400 120.084 118.700 -0.027 0.000 2.503 115 N HA 0.486 5.226 4.740 -0.000 0.000 0.267 115 N C -2.377 173.128 175.510 -0.010 0.000 1.214 115 N CA -1.548 51.490 53.050 -0.019 0.000 0.959 115 N CB 0.827 39.305 38.487 -0.016 0.000 1.142 115 N HN 0.209 nan 8.380 nan 0.000 0.455 116 P HA 0.197 nan 4.420 nan 0.000 0.276 116 P C 0.219 177.519 177.300 0.001 0.000 1.235 116 P CA -0.099 62.999 63.100 -0.004 0.000 0.772 116 P CB 0.514 32.209 31.700 -0.007 0.000 0.871 117 I N -0.512 120.060 120.570 0.004 0.000 4.442 117 I HA 0.209 4.379 4.170 -0.000 0.000 0.331 117 I C 0.594 176.715 176.117 0.006 0.000 1.364 117 I CA -0.215 61.090 61.300 0.007 0.000 1.207 117 I CB 0.155 38.163 38.000 0.013 0.000 1.298 117 I HN 0.031 nan 8.210 nan 0.000 0.463 118 D N 1.536 121.937 120.400 0.002 0.000 2.340 118 D HA 0.132 4.772 4.640 -0.000 0.000 0.220 118 D C 1.677 177.975 176.300 -0.003 0.000 1.039 118 D CA 0.543 54.542 54.000 -0.001 0.000 0.866 118 D CB 0.058 40.856 40.800 -0.004 0.000 0.913 118 D HN 0.455 nan 8.370 nan 0.000 0.523 119 G N 1.148 109.947 108.800 -0.002 0.000 2.166 119 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.260 119 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.260 119 G C 0.714 175.612 174.900 -0.004 0.000 0.986 119 G CA 0.535 45.633 45.100 -0.002 0.000 0.683 119 G HN 0.492 nan 8.290 nan 0.000 0.527 120 K N 0.347 120.744 120.400 -0.006 0.000 2.446 120 K HA 0.469 4.788 4.320 -0.000 0.000 0.203 120 K C 1.386 177.981 176.600 -0.008 0.000 1.027 120 K CA 0.313 56.596 56.287 -0.007 0.000 1.166 120 K CB 0.350 32.845 32.500 -0.008 0.000 0.869 120 K HN 1.354 nan 8.250 nan 0.000 0.504 121 G N 2.182 110.977 108.800 -0.008 0.000 2.526 121 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.250 121 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.250 121 G C -2.940 171.953 174.900 -0.012 0.000 1.289 121 G CA -1.257 43.837 45.100 -0.009 0.000 0.947 121 G HN 0.016 nan 8.290 nan 0.000 0.517 122 P HA 0.526 nan 4.420 nan 0.000 0.278 122 P C 0.156 177.441 177.300 -0.024 0.000 1.238 122 P CA -0.649 62.441 63.100 -0.018 0.000 0.794 122 P CB 0.524 32.213 31.700 -0.018 0.000 0.955 123 I N 2.146 122.699 120.570 -0.029 0.000 2.471 123 I HA -0.002 4.168 4.170 -0.000 0.000 0.286 123 I C 0.884 176.971 176.117 -0.051 0.000 1.079 123 I CA 0.050 61.327 61.300 -0.038 0.000 1.398 123 I CB -0.255 37.721 38.000 -0.041 0.000 1.403 123 I HN 0.376 nan 8.210 nan 0.000 0.530 124 D N 6.388 126.753 120.400 -0.058 0.000 2.541 124 D HA 0.226 4.866 4.640 -0.000 0.000 0.231 124 D C 0.133 176.368 176.300 -0.109 0.000 1.163 124 D CA 0.020 53.976 54.000 -0.073 0.000 1.077 124 D CB 0.057 40.816 40.800 -0.069 0.000 1.110 124 D HN 0.586 nan 8.370 nan 0.000 0.499 125 A N 2.075 124.835 122.820 -0.101 0.000 2.316 125 A HA 0.608 4.928 4.320 -0.000 0.000 0.284 125 A C 0.836 178.339 177.584 -0.135 0.000 1.115 125 A CA -0.056 51.905 52.037 -0.126 0.000 0.812 125 A CB 1.231 20.177 19.000 -0.091 0.000 1.064 125 A HN 0.509 nan 8.150 nan 0.000 0.489 126 A N 1.030 123.740 122.820 -0.183 0.000 2.431 126 A HA 0.610 4.929 4.320 -0.000 0.000 0.239 126 A C 0.894 178.431 177.584 -0.078 0.000 1.230 126 A CA 0.916 52.863 52.037 -0.150 0.000 0.928 126 A CB -0.319 18.536 19.000 -0.242 0.000 1.006 126 A HN 2.380 nan 8.150 nan 0.000 0.520 127 G N -0.712 108.044 108.800 -0.073 0.000 2.343 127 G HA2 0.438 4.398 3.960 -0.000 0.000 0.289 127 G HA3 0.438 4.398 3.960 -0.000 0.000 0.289 127 G C -1.578 173.303 174.900 -0.032 0.000 1.295 127 G CA -1.044 44.039 45.100 -0.029 0.000 0.869 127 G HN 0.204 nan 8.290 nan 0.000 0.522 128 R N 0.277 120.771 120.500 -0.009 0.000 2.575 128 R HA 0.551 4.891 4.340 -0.000 0.000 0.292 128 R C -0.581 175.724 176.300 0.008 0.000 1.246 128 R CA -0.527 55.568 56.100 -0.009 0.000 0.973 128 R CB 1.776 32.067 30.300 -0.015 0.000 1.187 128 R HN 0.453 nan 8.270 nan 0.000 0.478 129 S N 2.273 117.984 115.700 0.019 0.000 2.565 129 S HA 0.255 4.725 4.470 -0.000 0.000 0.276 129 S C 0.343 174.954 174.600 0.017 0.000 1.326 129 S CA -0.496 57.722 58.200 0.031 0.000 1.045 129 S CB 0.758 63.991 63.200 0.056 0.000 0.918 129 S HN 0.352 nan 8.310 nan 0.000 0.505 130 R N 1.260 121.768 120.500 0.014 0.000 2.679 130 R HA 0.205 4.545 4.340 -0.000 0.000 0.268 130 R C 1.481 177.785 176.300 0.007 0.000 1.044 130 R CA 0.199 56.300 56.100 0.003 0.000 1.105 130 R CB 0.132 30.432 30.300 -0.000 0.000 0.989 130 R HN 0.766 nan 8.270 nan 0.000 0.447 131 A N 2.573 125.387 122.820 -0.010 0.000 1.902 131 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 131 A C 0.452 178.028 177.584 -0.014 0.000 1.181 131 A CA 1.261 53.297 52.037 -0.002 0.000 0.623 131 A CB 0.011 18.987 19.000 -0.041 0.000 0.818 131 A HN 0.526 nan 8.150 nan 0.000 0.443 132 Q N 0.504 120.264 119.800 -0.066 0.000 2.421 132 Q HA 0.477 4.817 4.340 -0.000 0.000 0.242 132 Q C -1.209 174.774 176.000 -0.029 0.000 1.024 132 Q CA -0.026 55.721 55.803 -0.094 0.000 0.891 132 Q CB 1.151 29.799 28.738 -0.151 0.000 1.222 132 Q HN 0.213 nan 8.270 nan 0.000 0.483 133 V N 2.041 121.957 119.914 0.003 0.000 2.555 133 V HA 0.358 4.478 4.120 -0.000 0.000 0.302 133 V C 0.225 176.333 176.094 0.023 0.000 1.038 133 V CA -1.148 61.163 62.300 0.019 0.000 0.887 133 V CB 2.062 33.908 31.823 0.037 0.000 0.991 133 V HN 0.527 nan 8.190 nan 0.000 0.434 134 K N 2.854 123.268 120.400 0.024 0.000 2.414 134 K HA 0.485 4.805 4.320 -0.000 0.000 0.272 134 K C 0.256 176.877 176.600 0.035 0.000 0.993 134 K CA 0.384 56.690 56.287 0.031 0.000 0.964 134 K CB 0.723 33.242 32.500 0.033 0.000 0.925 134 K HN 0.960 nan 8.250 nan 0.000 0.487 135 A N 5.112 127.955 122.820 0.039 0.000 2.371 135 A HA 0.324 4.644 4.320 -0.000 0.000 0.257 135 A C -2.119 175.486 177.584 0.034 0.000 1.089 135 A CA -1.331 50.729 52.037 0.039 0.000 0.794 135 A CB -0.408 18.615 19.000 0.039 0.000 1.029 135 A HN 0.675 nan 8.150 nan 0.000 0.488 136 P HA 0.091 nan 4.420 nan 0.000 0.260 136 P C 0.663 177.980 177.300 0.028 0.000 1.185 136 P CA 0.744 63.859 63.100 0.025 0.000 0.763 136 P CB 0.239 31.953 31.700 0.023 0.000 0.776 137 G N 2.134 110.949 108.800 0.025 0.000 2.489 137 G HA2 0.121 4.081 3.960 -0.000 0.000 0.271 137 G HA3 0.121 4.081 3.960 -0.000 0.000 0.271 137 G C 1.122 176.037 174.900 0.026 0.000 1.427 137 G CA -0.566 44.550 45.100 0.028 0.000 1.057 137 G HN 0.300 nan 8.290 nan 0.000 0.532 138 I N -1.096 119.490 120.570 0.025 0.000 2.236 138 I HA -0.155 4.015 4.170 -0.000 0.000 0.249 138 I C 2.395 178.525 176.117 0.020 0.000 1.102 138 I CA 1.186 62.500 61.300 0.024 0.000 1.365 138 I CB -0.160 37.853 38.000 0.022 0.000 1.051 138 I HN 0.253 nan 8.210 nan 0.000 0.420 139 L N -0.496 120.738 121.223 0.018 0.000 2.537 139 L HA 0.209 4.549 4.340 -0.000 0.000 0.224 139 L C -1.019 175.860 176.870 0.014 0.000 1.065 139 L CA 0.628 55.477 54.840 0.015 0.000 0.860 139 L CB -0.953 41.113 42.059 0.012 0.000 1.086 139 L HN 0.077 nan 8.230 nan 0.000 0.482 140 P HA 0.014 nan 4.420 nan 0.000 0.247 140 P C -0.269 177.040 177.300 0.016 0.000 1.225 140 P CA 0.598 63.705 63.100 0.011 0.000 0.768 140 P CB 0.038 31.743 31.700 0.009 0.000 1.020 141 R N -0.176 120.335 120.500 0.020 0.000 2.758 141 R HA 0.622 4.962 4.340 -0.000 0.000 0.265 141 R C 0.314 176.631 176.300 0.028 0.000 1.016 141 R CA -0.786 55.329 56.100 0.024 0.000 1.040 141 R CB 1.670 31.985 30.300 0.025 0.000 1.152 141 R HN -0.107 nan 8.270 nan 0.000 0.503 142 R N 0.372 120.894 120.500 0.036 0.000 2.771 142 R HA 0.249 4.589 4.340 -0.000 0.000 0.274 142 R C -1.052 175.278 176.300 0.051 0.000 0.987 142 R CA -0.497 55.631 56.100 0.046 0.000 0.908 142 R CB 2.187 32.526 30.300 0.065 0.000 1.213 142 R HN 0.809 nan 8.270 nan 0.000 0.468 143 S N 2.312 118.046 115.700 0.056 0.000 2.528 143 S HA 0.141 4.611 4.470 -0.000 0.000 0.277 143 S C 0.732 175.380 174.600 0.080 0.000 1.297 143 S CA -0.589 57.643 58.200 0.053 0.000 1.052 143 S CB 0.690 63.916 63.200 0.044 0.000 0.917 143 S HN 0.496 nan 8.310 nan 0.000 0.492 144 V N 3.171 123.105 119.914 0.034 0.000 2.843 144 V HA 0.205 4.325 4.120 -0.000 0.000 0.305 144 V C 1.061 177.182 176.094 0.045 0.000 1.120 144 V CA 0.942 63.233 62.300 -0.015 0.000 1.254 144 V CB -0.228 31.567 31.823 -0.046 0.000 0.901 144 V HN 1.230 nan 8.190 nan 0.000 0.503 145 H N 0.436 119.473 119.070 -0.056 0.000 3.770 145 H HA 0.409 4.964 4.556 -0.000 0.000 0.264 145 H C -0.161 175.120 175.328 -0.079 0.000 1.164 145 H CA -0.207 55.809 56.048 -0.054 0.000 1.158 145 H CB 0.137 29.874 29.762 -0.041 0.000 1.653 145 H HN 0.719 nan 8.280 nan 0.000 0.795 146 E N 3.967 123.889 120.200 -0.463 0.000 2.179 146 E HA 0.368 4.718 4.350 -0.000 0.000 0.275 146 E C -2.685 173.754 176.600 -0.269 0.000 0.945 146 E CA -2.058 54.105 56.400 -0.396 0.000 0.792 146 E CB 2.370 31.736 29.700 -0.557 0.000 1.125 146 E HN 0.196 nan 8.360 nan 0.000 0.397 147 P HA 0.094 nan 4.420 nan 0.000 0.281 147 P C -0.661 176.512 177.300 -0.211 0.000 1.249 147 P CA -0.459 62.538 63.100 -0.172 0.000 0.810 147 P CB 0.948 32.567 31.700 -0.134 0.000 1.008 148 V N 2.763 122.591 119.914 -0.143 0.000 2.266 148 V HA 0.192 4.312 4.120 -0.000 0.000 0.271 148 V C 0.429 176.488 176.094 -0.058 0.000 1.032 148 V CA -0.398 61.827 62.300 -0.126 0.000 0.806 148 V CB 0.089 31.857 31.823 -0.092 0.000 1.052 148 V HN 0.456 nan 8.190 nan 0.000 0.449 149 Q N 1.946 121.721 119.800 -0.041 0.000 2.286 149 Q HA 0.156 4.496 4.340 -0.000 0.000 0.265 149 Q C 1.432 177.502 176.000 0.117 0.000 1.080 149 Q CA 0.322 56.172 55.803 0.078 0.000 0.906 149 Q CB 1.100 29.965 28.738 0.212 0.000 1.227 149 Q HN 0.897 nan 8.270 nan 0.000 0.409 150 T N -0.959 113.637 114.554 0.070 0.000 3.009 150 T HA 0.146 4.496 4.350 -0.000 0.000 0.258 150 T C 1.373 176.105 174.700 0.053 0.000 1.063 150 T CA 0.586 62.718 62.100 0.054 0.000 1.139 150 T CB 0.114 69.000 68.868 0.030 0.000 0.890 150 T HN 0.836 nan 8.240 nan 0.000 0.471 151 G N 1.087 109.921 108.800 0.056 0.000 2.176 151 G HA2 -0.152 3.807 3.960 -0.000 0.000 0.232 151 G HA3 -0.152 3.807 3.960 -0.000 0.000 0.232 151 G C -0.113 174.804 174.900 0.028 0.000 0.986 151 G CA 0.000 45.124 45.100 0.039 0.000 0.643 151 G HN 0.629 nan 8.290 nan 0.000 0.522 152 L N 0.848 122.088 121.223 0.029 0.000 2.255 152 L HA 0.418 4.758 4.340 -0.000 0.000 0.289 152 L C 1.695 178.587 176.870 0.037 0.000 1.046 152 L CA -0.792 54.064 54.840 0.026 0.000 0.816 152 L CB 1.229 43.300 42.059 0.020 0.000 1.197 152 L HN 0.052 nan 8.230 nan 0.000 0.427 153 K N 2.261 122.686 120.400 0.041 0.000 2.074 153 K HA -0.231 4.089 4.320 -0.000 0.000 0.209 153 K C 1.979 178.612 176.600 0.054 0.000 1.048 153 K CA 1.780 58.097 56.287 0.051 0.000 0.926 153 K CB -0.077 32.457 32.500 0.057 0.000 0.713 153 K HN 0.805 nan 8.250 nan 0.000 0.444 154 A N 0.837 123.689 122.820 0.053 0.000 1.873 154 A HA -0.102 4.218 4.320 -0.000 0.000 0.215 154 A C 2.389 180.006 177.584 0.055 0.000 1.186 154 A CA 1.334 53.406 52.037 0.058 0.000 0.616 154 A CB -0.582 18.454 19.000 0.060 0.000 0.823 154 A HN 0.061 nan 8.150 nan 0.000 0.442 155 V N 0.766 120.708 119.914 0.047 0.000 2.229 155 V HA -0.223 3.897 4.120 -0.000 0.000 0.243 155 V C 2.041 178.159 176.094 0.040 0.000 1.042 155 V CA 2.331 64.656 62.300 0.042 0.000 1.000 155 V CB -0.924 30.919 31.823 0.033 0.000 0.637 155 V HN 0.481 nan 8.190 nan 0.000 0.446 156 D N 0.196 120.619 120.400 0.039 0.000 2.310 156 D HA -0.028 4.612 4.640 -0.000 0.000 0.212 156 D C 1.820 178.144 176.300 0.040 0.000 0.965 156 D CA 1.316 55.338 54.000 0.037 0.000 0.879 156 D CB -0.111 40.714 40.800 0.041 0.000 0.921 156 D HN 0.475 nan 8.370 nan 0.000 0.510 157 A N -0.764 122.084 122.820 0.047 0.000 2.115 157 A HA 0.212 4.532 4.320 -0.000 0.000 0.211 157 A C 1.887 179.503 177.584 0.052 0.000 1.169 157 A CA 0.192 52.260 52.037 0.051 0.000 0.787 157 A CB 0.203 19.238 19.000 0.058 0.000 0.858 157 A HN 0.177 nan 8.150 nan 0.000 0.474 158 L N -1.054 120.201 121.223 0.054 0.000 2.624 158 L HA 0.164 4.504 4.340 -0.000 0.000 0.222 158 L C 0.243 177.144 176.870 0.052 0.000 1.046 158 L CA 0.462 55.337 54.840 0.058 0.000 0.872 158 L CB 0.845 42.946 42.059 0.069 0.000 1.190 158 L HN 0.181 nan 8.230 nan 0.000 0.487 159 V N -1.820 118.122 119.914 0.047 0.000 2.468 159 V HA 0.406 4.526 4.120 -0.000 0.000 0.256 159 V C -2.652 173.460 176.094 0.029 0.000 0.998 159 V CA -1.689 60.635 62.300 0.041 0.000 1.114 159 V CB -0.101 31.751 31.823 0.047 0.000 1.378 159 V HN -0.060 nan 8.190 nan 0.000 0.573 160 P HA 0.356 nan 4.420 nan 0.000 0.269 160 P C -0.244 177.056 177.300 0.001 0.000 1.209 160 P CA 0.230 63.337 63.100 0.012 0.000 0.776 160 P CB 1.534 33.240 31.700 0.010 0.000 0.876 161 I N 0.821 121.383 120.570 -0.013 0.000 2.412 161 I HA 0.497 4.667 4.170 -0.000 0.000 0.296 161 I C 1.113 177.199 176.117 -0.051 0.000 0.987 161 I CA -0.703 60.581 61.300 -0.026 0.000 1.180 161 I CB 1.705 39.689 38.000 -0.027 0.000 1.340 161 I HN 0.287 nan 8.210 nan 0.000 0.455 162 G N 3.667 112.434 108.800 -0.054 0.000 2.412 162 G HA2 0.492 4.452 3.960 -0.000 0.000 0.318 162 G HA3 0.492 4.452 3.960 -0.000 0.000 0.318 162 G C -0.417 174.417 174.900 -0.110 0.000 1.146 162 G CA -0.811 44.237 45.100 -0.086 0.000 0.882 162 G HN 0.564 nan 8.290 nan 0.000 0.501 163 R N 0.482 120.877 120.500 -0.175 0.000 2.357 163 R HA 0.407 4.747 4.340 -0.000 0.000 0.330 163 R C 1.262 177.491 176.300 -0.118 0.000 1.102 163 R CA 1.417 57.403 56.100 -0.189 0.000 0.974 163 R CB 0.313 30.399 30.300 -0.356 0.000 1.002 163 R HN 0.990 nan 8.270 nan 0.000 0.463 164 G N 1.854 110.619 108.800 -0.059 0.000 2.428 164 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.199 164 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.199 164 G C 0.161 175.054 174.900 -0.012 0.000 1.005 164 G CA -0.396 44.691 45.100 -0.020 0.000 0.671 164 G HN 0.558 nan 8.290 nan 0.000 0.485 165 Q N 0.744 120.530 119.800 -0.024 0.000 2.428 165 Q HA 0.478 4.817 4.340 -0.000 0.000 0.276 165 Q C -0.003 175.995 176.000 -0.003 0.000 1.059 165 Q CA 0.240 56.036 55.803 -0.011 0.000 0.923 165 Q CB 0.298 29.026 28.738 -0.017 0.000 1.283 165 Q HN 0.396 nan 8.270 nan 0.000 0.447 166 R N 2.167 122.671 120.500 0.007 0.000 2.338 166 R HA 0.337 4.677 4.340 -0.000 0.000 0.317 166 R C -1.313 174.994 176.300 0.011 0.000 0.968 166 R CA -0.427 55.680 56.100 0.012 0.000 0.849 166 R CB 1.614 31.925 30.300 0.019 0.000 1.128 166 R HN 0.493 nan 8.270 nan 0.000 0.448 167 E N 2.638 122.842 120.200 0.008 0.000 2.302 167 E HA 0.228 4.578 4.350 -0.000 0.000 0.263 167 E C -1.634 174.972 176.600 0.010 0.000 0.897 167 E CA -0.782 55.625 56.400 0.012 0.000 0.809 167 E CB 0.953 30.658 29.700 0.009 0.000 1.270 167 E HN 0.384 nan 8.360 nan 0.000 0.410 168 L N 5.289 126.523 121.223 0.017 0.000 2.416 168 L HA 0.433 4.773 4.340 -0.000 0.000 0.272 168 L C -0.793 176.087 176.870 0.016 0.000 1.161 168 L CA 0.296 55.144 54.840 0.012 0.000 0.845 168 L CB 0.465 42.535 42.059 0.019 0.000 1.119 168 L HN 0.653 nan 8.230 nan 0.000 0.464 169 I N 7.192 127.761 120.570 -0.002 0.000 2.282 169 I HA 0.296 4.466 4.170 -0.000 0.000 0.290 169 I C 0.028 176.135 176.117 -0.017 0.000 1.090 169 I CA -0.017 61.277 61.300 -0.010 0.000 1.231 169 I CB 0.502 38.487 38.000 -0.025 0.000 1.434 169 I HN 0.604 nan 8.210 nan 0.000 0.487 170 I N 4.933 125.504 120.570 0.002 0.000 2.707 170 I HA 0.915 5.085 4.170 -0.000 0.000 0.309 170 I C 0.298 176.351 176.117 -0.107 0.000 1.001 170 I CA 0.015 61.322 61.300 0.012 0.000 1.129 170 I CB 1.929 40.007 38.000 0.129 0.000 1.308 170 I HN 0.646 nan 8.210 nan 0.000 0.466 171 G N 4.176 112.901 108.800 -0.125 0.000 2.352 171 G HA2 0.079 4.039 3.960 -0.000 0.000 0.302 171 G HA3 0.079 4.039 3.960 -0.000 0.000 0.302 171 G C -1.914 172.888 174.900 -0.165 0.000 1.370 171 G CA -0.816 44.099 45.100 -0.308 0.000 0.918 171 G HN 0.525 nan 8.290 nan 0.000 0.610 172 D N -0.166 120.123 120.400 -0.184 0.000 2.398 172 D HA 0.396 5.036 4.640 -0.000 0.000 0.247 172 D C 1.218 177.433 176.300 -0.142 0.000 1.227 172 D CA -0.261 53.672 54.000 -0.112 0.000 0.980 172 D CB 0.567 41.315 40.800 -0.087 0.000 1.106 172 D HN 0.615 nan 8.370 nan 0.000 0.493 173 R N 0.805 121.242 120.500 -0.104 0.000 2.585 173 R HA -0.082 4.258 4.340 -0.000 0.000 0.275 173 R C -0.304 175.884 176.300 -0.187 0.000 1.018 173 R CA 0.232 56.266 56.100 -0.110 0.000 1.072 173 R CB 0.014 30.275 30.300 -0.064 0.000 0.953 173 R HN 0.395 nan 8.270 nan 0.000 0.419 174 Q N 1.845 121.522 119.800 -0.204 0.000 2.439 174 Q HA -0.171 4.169 4.340 -0.000 0.000 0.361 174 Q C -0.413 175.149 176.000 -0.730 0.000 1.408 174 Q CA 1.300 56.916 55.803 -0.313 0.000 1.052 174 Q CB -1.334 27.301 28.738 -0.172 0.000 1.233 174 Q HN 0.902 nan 8.270 nan 0.000 0.347 175 T N -3.863 110.253 114.554 -0.729 0.000 3.380 175 T HA 0.488 4.838 4.350 -0.000 0.000 0.289 175 T C 0.910 175.239 174.700 -0.618 0.000 1.012 175 T CA 0.189 61.676 62.100 -1.021 0.000 0.944 175 T CB 1.057 69.624 68.868 -0.502 0.000 1.172 175 T HN 0.924 nan 8.240 nan 0.000 0.502 176 G N 1.965 110.501 108.800 -0.440 0.000 2.147 176 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.244 176 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.244 176 G C 0.849 175.715 174.900 -0.057 0.000 1.005 176 G CA 0.549 45.632 45.100 -0.029 0.000 0.713 176 G HN 0.566 nan 8.290 nan 0.000 0.515 177 K N -0.623 119.711 120.400 -0.109 0.000 1.985 177 K HA -0.071 4.249 4.320 -0.000 0.000 0.210 177 K C 2.644 179.228 176.600 -0.027 0.000 1.047 177 K CA 1.895 58.137 56.287 -0.074 0.000 0.932 177 K CB -0.366 32.081 32.500 -0.088 0.000 0.716 177 K HN 0.366 nan 8.250 nan 0.000 0.439 178 T N 1.200 115.750 114.554 -0.006 0.000 2.788 178 T HA -0.114 4.236 4.350 -0.000 0.000 0.268 178 T C 1.928 176.638 174.700 0.016 0.000 1.044 178 T CA 1.264 63.392 62.100 0.048 0.000 1.139 178 T CB -0.207 68.708 68.868 0.077 0.000 0.867 178 T HN 0.305 nan 8.240 nan 0.000 0.454 179 A N 0.734 123.539 122.820 -0.025 0.000 2.121 179 A HA 0.061 4.381 4.320 -0.000 0.000 0.218 179 A C 2.437 179.978 177.584 -0.071 0.000 1.154 179 A CA 0.769 52.757 52.037 -0.081 0.000 0.679 179 A CB -0.669 18.278 19.000 -0.089 0.000 0.795 179 A HN 0.379 nan 8.150 nan 0.000 0.458 180 V N -0.575 119.321 119.914 -0.030 0.000 2.300 180 V HA -0.117 4.003 4.120 -0.000 0.000 0.241 180 V C 3.024 179.114 176.094 -0.007 0.000 1.034 180 V CA 1.606 63.894 62.300 -0.019 0.000 1.021 180 V CB -1.174 30.643 31.823 -0.010 0.000 0.662 180 V HN 0.566 nan 8.190 nan 0.000 0.458 181 A N 0.220 123.047 122.820 0.011 0.000 1.859 181 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 181 A C 2.192 179.805 177.584 0.048 0.000 1.198 181 A CA 2.456 54.516 52.037 0.038 0.000 0.629 181 A CB -0.844 18.200 19.000 0.074 0.000 0.830 181 A HN 0.452 nan 8.150 nan 0.000 0.446 182 L N 0.021 121.267 121.223 0.039 0.000 2.013 182 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 182 L C 1.747 178.602 176.870 -0.026 0.000 1.073 182 L CA 2.731 57.570 54.840 -0.002 0.000 0.753 182 L CB -0.737 41.298 42.059 -0.041 0.000 0.890 182 L HN 0.381 nan 8.230 nan 0.000 0.432 183 D N -1.156 119.209 120.400 -0.059 0.000 2.144 183 D HA -0.150 4.489 4.640 -0.000 0.000 0.199 183 D C 2.040 178.336 176.300 -0.007 0.000 0.984 183 D CA 1.755 55.718 54.000 -0.060 0.000 0.834 183 D CB -0.073 40.674 40.800 -0.087 0.000 0.955 183 D HN 0.434 nan 8.370 nan 0.000 0.465 184 T N 0.882 115.441 114.554 0.009 0.000 2.821 184 T HA -0.057 4.293 4.350 -0.000 0.000 0.267 184 T C 2.227 176.959 174.700 0.052 0.000 1.046 184 T CA 0.514 62.632 62.100 0.030 0.000 1.139 184 T CB -0.068 68.813 68.868 0.021 0.000 0.871 184 T HN 0.173 nan 8.240 nan 0.000 0.454 185 I N 0.829 121.438 120.570 0.066 0.000 2.226 185 I HA -0.114 4.056 4.170 -0.000 0.000 0.245 185 I C 2.152 178.379 176.117 0.183 0.000 1.100 185 I CA 1.202 62.580 61.300 0.129 0.000 1.374 185 I CB -0.465 37.610 38.000 0.125 0.000 1.057 185 I HN 0.172 nan 8.210 nan 0.000 0.413 186 L N 0.295 121.578 121.223 0.100 0.000 2.141 186 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 186 L C 2.171 179.095 176.870 0.089 0.000 1.094 186 L CA 1.192 56.089 54.840 0.095 0.000 0.763 186 L CB -0.709 41.335 42.059 -0.026 0.000 0.908 186 L HN 0.288 nan 8.230 nan 0.000 0.437 187 N N -0.481 118.248 118.700 0.050 0.000 2.443 187 N HA -0.184 4.555 4.740 -0.000 0.000 0.184 187 N C 1.855 177.345 175.510 -0.033 0.000 1.037 187 N CA 0.657 53.712 53.050 0.007 0.000 0.896 187 N CB 0.155 38.667 38.487 0.042 0.000 0.959 187 N HN 0.194 nan 8.380 nan 0.000 0.442 188 Q N 0.474 120.276 119.800 0.004 0.000 2.369 188 Q HA -0.101 4.239 4.340 -0.000 0.000 0.206 188 Q C 1.332 177.163 176.000 -0.283 0.000 0.963 188 Q CA 0.724 56.472 55.803 -0.092 0.000 0.894 188 Q CB -0.252 28.313 28.738 -0.289 0.000 0.965 188 Q HN 0.688 nan 8.270 nan 0.000 0.475 189 K N 0.194 120.498 120.400 -0.161 0.000 2.585 189 K HA -0.069 4.250 4.320 -0.000 0.000 0.194 189 K C 1.451 177.918 176.600 -0.222 0.000 1.037 189 K CA 0.616 56.860 56.287 -0.071 0.000 0.964 189 K CB -0.054 32.526 32.500 0.134 0.000 0.787 189 K HN 0.051 nan 8.250 nan 0.000 0.488 190 R N -0.297 119.929 120.500 -0.457 0.000 2.189 190 R HA -0.019 4.321 4.340 -0.000 0.000 0.218 190 R C 1.011 176.731 176.300 -0.968 0.000 1.074 190 R CA 1.295 56.871 56.100 -0.873 0.000 0.991 190 R CB 0.055 29.480 30.300 -1.459 0.000 0.883 190 R HN 0.503 nan 8.270 nan 0.000 0.457 191 W N -1.582 119.643 121.300 -0.125 0.000 2.701 191 W HA 0.229 4.889 4.660 -0.000 0.000 0.254 191 W C 0.685 177.116 176.519 -0.147 0.000 1.017 191 W CA -0.600 56.678 57.345 -0.112 0.000 1.326 191 W CB -0.221 29.177 29.460 -0.103 0.000 0.881 191 W HN -0.032 nan 8.180 nan 0.000 0.647 192 N N 1.485 120.160 118.700 -0.042 0.000 2.609 192 N HA -0.079 4.660 4.740 -0.000 0.000 0.190 192 N C 0.802 176.287 175.510 -0.042 0.000 1.157 192 N CA 0.851 53.784 53.050 -0.195 0.000 0.918 192 N CB -0.270 37.842 38.487 -0.624 0.000 0.978 192 N HN 0.210 nan 8.380 nan 0.000 0.448 193 N N -0.905 117.790 118.700 -0.009 0.000 2.166 193 N HA 0.090 4.830 4.740 -0.000 0.000 0.213 193 N C 0.735 176.260 175.510 0.025 0.000 1.222 193 N CA 0.052 53.114 53.050 0.020 0.000 0.900 193 N CB 1.047 39.535 38.487 0.001 0.000 1.055 193 N HN 0.076 nan 8.380 nan 0.000 0.515 194 G N -0.291 108.532 108.800 0.039 0.000 2.528 194 G HA2 0.209 4.169 3.960 -0.000 0.000 0.289 194 G HA3 0.209 4.169 3.960 -0.000 0.000 0.289 194 G C 0.835 175.782 174.900 0.079 0.000 1.192 194 G CA -0.173 44.963 45.100 0.060 0.000 0.921 194 G HN 0.046 nan 8.290 nan 0.000 0.512 195 S N -0.859 114.884 115.700 0.072 0.000 2.371 195 S HA -0.115 4.355 4.470 -0.000 0.000 0.224 195 S C 1.102 175.748 174.600 0.078 0.000 1.029 195 S CA 0.918 59.160 58.200 0.069 0.000 0.978 195 S CB -0.369 62.863 63.200 0.053 0.000 0.833 195 S HN 0.587 nan 8.310 nan 0.000 0.466 196 D N 2.062 122.512 120.400 0.084 0.000 2.383 196 D HA -0.002 4.638 4.640 -0.000 0.000 0.275 196 D C 1.057 177.408 176.300 0.085 0.000 1.344 196 D CA 0.251 54.297 54.000 0.077 0.000 0.984 196 D CB 0.387 41.232 40.800 0.074 0.000 1.104 196 D HN 0.284 nan 8.370 nan 0.000 0.524 197 E N 1.650 121.898 120.200 0.080 0.000 2.268 197 E HA -0.140 4.209 4.350 -0.000 0.000 0.195 197 E C 1.736 178.389 176.600 0.088 0.000 0.995 197 E CA 0.638 57.096 56.400 0.098 0.000 0.836 197 E CB 0.085 29.836 29.700 0.085 0.000 0.763 197 E HN 0.583 nan 8.360 nan 0.000 0.491 198 S N 0.190 115.929 115.700 0.065 0.000 2.446 198 S HA 0.010 4.480 4.470 -0.000 0.000 0.225 198 S C 1.743 176.418 174.600 0.124 0.000 1.016 198 S CA 0.367 58.615 58.200 0.079 0.000 0.943 198 S CB 0.118 63.371 63.200 0.088 0.000 0.786 198 S HN -0.080 nan 8.310 nan 0.000 0.508 199 K N 1.645 122.064 120.400 0.032 0.000 2.555 199 K HA 0.168 4.487 4.320 -0.000 0.000 0.193 199 K C 0.127 176.677 176.600 -0.083 0.000 1.032 199 K CA 0.281 56.504 56.287 -0.106 0.000 1.004 199 K CB -0.066 32.335 32.500 -0.164 0.000 0.804 199 K HN 0.551 nan 8.250 nan 0.000 0.496 200 K N 0.762 121.185 120.400 0.038 0.000 2.237 200 K HA 0.137 4.457 4.320 -0.000 0.000 0.270 200 K C -0.286 176.287 176.600 -0.044 0.000 1.015 200 K CA -0.525 55.755 56.287 -0.013 0.000 0.949 200 K CB 0.825 33.364 32.500 0.064 0.000 0.976 200 K HN -0.193 nan 8.250 nan 0.000 0.472 201 L N 3.372 124.451 121.223 -0.239 0.000 2.457 201 L HA 0.278 4.618 4.340 -0.000 0.000 0.266 201 L C -1.776 174.881 176.870 -0.355 0.000 0.979 201 L CA -0.445 54.282 54.840 -0.189 0.000 0.857 201 L CB 0.672 42.640 42.059 -0.152 0.000 1.213 201 L HN 0.439 nan 8.230 nan 0.000 0.418 202 Y N 3.554 123.719 120.300 -0.226 0.000 2.383 202 Y HA 0.452 5.002 4.550 -0.000 0.000 0.344 202 Y C 0.358 176.110 175.900 -0.247 0.000 0.986 202 Y CA -0.191 57.711 58.100 -0.331 0.000 1.175 202 Y CB 0.944 38.862 38.460 -0.903 0.000 1.152 202 Y HN 0.516 nan 8.280 nan 0.000 0.511 203 C N 3.681 123.007 119.300 0.045 0.000 2.341 203 C HA 0.727 5.187 4.460 -0.000 0.000 0.338 203 C C -0.011 175.012 174.990 0.056 0.000 1.257 203 C CA -1.288 57.760 59.018 0.050 0.000 1.883 203 C CB 0.211 28.019 27.740 0.113 0.000 2.334 203 C HN 0.549 nan 8.230 nan 0.000 0.524 204 V N 2.812 122.737 119.914 0.019 0.000 2.417 204 V HA 0.355 4.475 4.120 -0.000 0.000 0.291 204 V C -0.809 175.291 176.094 0.011 0.000 1.024 204 V CA -0.553 61.763 62.300 0.026 0.000 0.861 204 V CB 1.037 32.860 31.823 -0.000 0.000 0.985 204 V HN 0.842 nan 8.190 nan 0.000 0.436 205 Y N 4.544 124.810 120.300 -0.057 0.000 2.335 205 Y HA 0.702 5.252 4.550 -0.000 0.000 0.338 205 Y C -0.444 175.431 175.900 -0.042 0.000 0.977 205 Y CA -0.688 57.373 58.100 -0.066 0.000 1.114 205 Y CB 1.751 40.187 38.460 -0.039 0.000 1.182 205 Y HN 0.466 nan 8.280 nan 0.000 0.463 206 V N 5.368 125.053 119.914 -0.382 0.000 2.435 206 V HA 0.700 4.820 4.120 -0.000 0.000 0.290 206 V C -0.164 175.801 176.094 -0.215 0.000 1.030 206 V CA -0.732 61.469 62.300 -0.164 0.000 0.881 206 V CB 1.265 33.049 31.823 -0.065 0.000 0.983 206 V HN 0.909 nan 8.190 nan 0.000 0.445 207 A N 4.617 127.458 122.820 0.035 0.000 2.654 207 A HA 0.670 4.990 4.320 -0.000 0.000 0.345 207 A C -0.434 177.188 177.584 0.064 0.000 1.368 207 A CA -0.391 51.706 52.037 0.100 0.000 0.895 207 A CB 0.313 19.440 19.000 0.212 0.000 1.143 207 A HN 0.662 nan 8.150 nan 0.000 0.490 208 V N 1.933 121.866 119.914 0.031 0.000 2.385 208 V HA 0.506 4.626 4.120 -0.000 0.000 0.269 208 V C 1.451 177.580 176.094 0.059 0.000 1.043 208 V CA 0.961 63.290 62.300 0.049 0.000 0.906 208 V CB 0.501 32.346 31.823 0.036 0.000 0.995 208 V HN 1.574 nan 8.190 nan 0.000 0.467 209 G N 3.864 112.706 108.800 0.071 0.000 2.166 209 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.260 209 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.260 209 G C 0.259 175.196 174.900 0.062 0.000 0.986 209 G CA 0.466 45.608 45.100 0.069 0.000 0.683 209 G HN 0.646 nan 8.290 nan 0.000 0.527 210 Q N -0.317 119.523 119.800 0.067 0.000 2.396 210 Q HA 0.419 4.758 4.340 -0.000 0.000 0.221 210 Q C 0.549 176.585 176.000 0.060 0.000 1.025 210 Q CA -0.285 55.559 55.803 0.069 0.000 0.946 210 Q CB 0.640 29.435 28.738 0.096 0.000 1.224 210 Q HN 0.351 nan 8.270 nan 0.000 0.539 211 K N 1.234 121.666 120.400 0.053 0.000 2.368 211 K HA 0.029 4.349 4.320 -0.000 0.000 0.282 211 K C 0.831 177.457 176.600 0.043 0.000 1.035 211 K CA 0.024 56.337 56.287 0.043 0.000 0.973 211 K CB 0.656 33.178 32.500 0.036 0.000 0.957 211 K HN 0.479 nan 8.250 nan 0.000 0.474 212 R N 1.699 122.223 120.500 0.038 0.000 2.159 212 R HA -0.183 4.157 4.340 -0.000 0.000 0.237 212 R C 1.981 178.296 176.300 0.026 0.000 1.131 212 R CA 2.145 58.265 56.100 0.034 0.000 0.982 212 R CB -0.003 30.316 30.300 0.030 0.000 0.868 212 R HN 0.789 nan 8.270 nan 0.000 0.453 213 S N -1.070 114.644 115.700 0.024 0.000 2.368 213 S HA -0.108 4.362 4.470 -0.000 0.000 0.224 213 S C 1.845 176.455 174.600 0.017 0.000 1.029 213 S CA 1.528 59.739 58.200 0.018 0.000 0.988 213 S CB -0.451 62.760 63.200 0.018 0.000 0.838 213 S HN 0.298 nan 8.310 nan 0.000 0.462 214 T N 2.657 117.225 114.554 0.024 0.000 2.708 214 T HA -0.046 4.304 4.350 -0.000 0.000 0.266 214 T C 1.954 176.658 174.700 0.007 0.000 1.037 214 T CA 1.525 63.638 62.100 0.023 0.000 1.146 214 T CB -0.773 68.118 68.868 0.039 0.000 0.865 214 T HN 0.294 nan 8.240 nan 0.000 0.435 215 V N 1.970 121.894 119.914 0.016 0.000 2.332 215 V HA -0.191 3.929 4.120 -0.000 0.000 0.248 215 V C 2.956 179.035 176.094 -0.026 0.000 1.055 215 V CA 1.632 63.930 62.300 -0.003 0.000 1.038 215 V CB -1.434 30.412 31.823 0.038 0.000 0.651 215 V HN 0.556 nan 8.190 nan 0.000 0.450 216 A N -0.533 122.282 122.820 -0.008 0.000 1.869 216 A HA -0.366 3.954 4.320 -0.000 0.000 0.218 216 A C 2.182 179.752 177.584 -0.023 0.000 1.203 216 A CA 2.417 54.447 52.037 -0.013 0.000 0.638 216 A CB -0.720 18.278 19.000 -0.003 0.000 0.831 216 A HN 0.616 nan 8.150 nan 0.000 0.450 217 Q N -1.415 118.375 119.800 -0.016 0.000 2.234 217 Q HA -0.157 4.183 4.340 -0.000 0.000 0.206 217 Q C 2.017 178.000 176.000 -0.030 0.000 0.980 217 Q CA 1.399 57.193 55.803 -0.015 0.000 0.869 217 Q CB -0.255 28.483 28.738 0.001 0.000 0.912 217 Q HN 0.633 nan 8.270 nan 0.000 0.436 218 L N -0.709 120.478 121.223 -0.059 0.000 2.084 218 L HA -0.102 4.238 4.340 -0.000 0.000 0.202 218 L C 2.061 178.862 176.870 -0.116 0.000 1.074 218 L CA 1.013 55.786 54.840 -0.111 0.000 0.757 218 L CB -0.273 41.651 42.059 -0.226 0.000 0.918 218 L HN -0.053 nan 8.230 nan 0.000 0.444 219 V N -0.054 119.797 119.914 -0.106 0.000 2.324 219 V HA -0.353 3.767 4.120 -0.000 0.000 0.250 219 V C 2.584 178.640 176.094 -0.063 0.000 1.060 219 V CA 1.949 64.197 62.300 -0.085 0.000 1.042 219 V CB -0.892 30.896 31.823 -0.059 0.000 0.650 219 V HN 0.614 nan 8.190 nan 0.000 0.450 220 Q N 0.731 120.501 119.800 -0.049 0.000 2.061 220 Q HA -0.218 4.122 4.340 -0.000 0.000 0.204 220 Q C 2.138 178.118 176.000 -0.033 0.000 0.984 220 Q CA 2.823 58.602 55.803 -0.039 0.000 0.846 220 Q CB -0.943 27.776 28.738 -0.032 0.000 0.902 220 Q HN 0.572 nan 8.270 nan 0.000 0.421 221 T N 0.808 115.347 114.554 -0.026 0.000 2.915 221 T HA 0.007 4.357 4.350 -0.000 0.000 0.269 221 T C 1.584 176.312 174.700 0.046 0.000 1.071 221 T CA 1.041 63.148 62.100 0.012 0.000 1.132 221 T CB -0.107 68.767 68.868 0.010 0.000 0.878 221 T HN 0.223 nan 8.240 nan 0.000 0.479 222 L N 0.412 121.619 121.223 -0.026 0.000 2.109 222 L HA 0.020 4.359 4.340 -0.000 0.000 0.207 222 L C 2.709 179.550 176.870 -0.048 0.000 1.086 222 L CA 1.072 55.880 54.840 -0.053 0.000 0.760 222 L CB -0.359 41.630 42.059 -0.116 0.000 0.910 222 L HN 0.170 nan 8.230 nan 0.000 0.437 223 E N 0.317 120.487 120.200 -0.051 0.000 2.150 223 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 223 E C 2.178 178.747 176.600 -0.050 0.000 0.985 223 E CA 1.153 57.520 56.400 -0.054 0.000 0.814 223 E CB 0.054 29.723 29.700 -0.051 0.000 0.752 223 E HN 0.349 nan 8.360 nan 0.000 0.466 224 Q N -1.089 118.687 119.800 -0.041 0.000 2.297 224 Q HA -0.076 4.264 4.340 -0.000 0.000 0.204 224 Q C 0.916 176.815 176.000 -0.169 0.000 0.962 224 Q CA 0.812 56.557 55.803 -0.097 0.000 0.879 224 Q CB 0.148 28.824 28.738 -0.103 0.000 0.947 224 Q HN 0.454 nan 8.270 nan 0.000 0.462 225 H N -0.660 118.356 119.070 -0.090 0.000 2.505 225 H HA 0.023 4.579 4.556 -0.000 0.000 0.286 225 H C -0.273 175.015 175.328 -0.067 0.000 1.072 225 H CA -0.012 55.995 56.048 -0.069 0.000 1.141 225 H CB 0.606 30.341 29.762 -0.046 0.000 1.550 225 H HN 0.199 nan 8.280 nan 0.000 0.547 226 D N 0.946 121.339 120.400 -0.012 0.000 2.733 226 D HA -0.206 4.434 4.640 -0.000 0.000 0.232 226 D C 1.029 177.263 176.300 -0.109 0.000 1.161 226 D CA 0.704 54.676 54.000 -0.048 0.000 0.653 226 D CB -0.897 39.889 40.800 -0.024 0.000 1.052 226 D HN 0.558 nan 8.370 nan 0.000 0.424 227 A N -0.917 121.782 122.820 -0.203 0.000 2.252 227 A HA 0.169 4.489 4.320 -0.000 0.000 0.213 227 A C 1.927 179.014 177.584 -0.830 0.000 1.188 227 A CA 0.837 52.523 52.037 -0.585 0.000 0.863 227 A CB -0.051 18.789 19.000 -0.267 0.000 0.893 227 A HN 0.292 nan 8.150 nan 0.000 0.495 228 M N 1.512 120.875 119.600 -0.395 0.000 2.108 228 M HA -0.177 4.303 4.480 -0.000 0.000 0.261 228 M C 1.927 178.074 176.300 -0.255 0.000 1.066 228 M CA 2.154 57.291 55.300 -0.271 0.000 1.107 228 M CB -0.515 32.000 32.600 -0.143 0.000 1.356 228 M HN 0.480 nan 8.290 nan 0.000 0.406 229 K N -0.521 119.739 120.400 -0.234 0.000 2.589 229 K HA -0.176 4.144 4.320 -0.000 0.000 0.195 229 K C 0.186 176.819 176.600 0.055 0.000 1.040 229 K CA 1.497 57.743 56.287 -0.067 0.000 0.950 229 K CB -0.700 31.794 32.500 -0.009 0.000 0.781 229 K HN 0.669 nan 8.250 nan 0.000 0.486 230 Y N -1.296 119.030 120.300 0.043 0.000 2.767 230 Y HA 0.375 4.925 4.550 -0.000 0.000 0.254 230 Y C -0.352 175.583 175.900 0.057 0.000 1.133 230 Y CA -1.047 57.077 58.100 0.039 0.000 1.225 230 Y CB -0.047 38.282 38.460 -0.218 0.000 1.312 230 Y HN 0.131 nan 8.280 nan 0.000 0.560 231 S N 0.419 116.161 115.700 0.070 0.000 2.632 231 S HA 0.872 5.342 4.470 -0.000 0.000 0.289 231 S C -1.071 173.567 174.600 0.063 0.000 1.115 231 S CA -0.737 57.510 58.200 0.079 0.000 0.889 231 S CB 2.309 65.508 63.200 -0.002 0.000 1.116 231 S HN 0.226 nan 8.310 nan 0.000 0.486 232 I N 1.207 121.824 120.570 0.078 0.000 2.569 232 I HA 0.405 4.575 4.170 -0.000 0.000 0.290 232 I C -1.264 174.904 176.117 0.086 0.000 1.088 232 I CA -0.866 60.480 61.300 0.077 0.000 1.047 232 I CB 1.987 40.048 38.000 0.100 0.000 1.237 232 I HN 0.520 nan 8.210 nan 0.000 0.421 233 I N 6.651 127.266 120.570 0.076 0.000 2.354 233 I HA 0.316 4.486 4.170 -0.000 0.000 0.286 233 I C -0.055 176.117 176.117 0.091 0.000 1.007 233 I CA -0.684 60.682 61.300 0.110 0.000 1.167 233 I CB 1.314 39.362 38.000 0.079 0.000 1.320 233 I HN 0.144 nan 8.210 nan 0.000 0.458 234 V N 5.392 125.364 119.914 0.096 0.000 2.465 234 V HA 0.717 4.837 4.120 -0.000 0.000 0.279 234 V C 0.566 176.709 176.094 0.082 0.000 1.045 234 V CA -0.541 61.800 62.300 0.070 0.000 0.938 234 V CB 1.324 33.181 31.823 0.057 0.000 0.986 234 V HN 0.861 nan 8.190 nan 0.000 0.467 235 A N 4.151 127.011 122.820 0.067 0.000 2.651 235 A HA 0.782 5.101 4.320 -0.000 0.000 0.290 235 A C -0.088 177.532 177.584 0.061 0.000 1.185 235 A CA -0.168 51.914 52.037 0.075 0.000 0.746 235 A CB 0.884 19.932 19.000 0.080 0.000 1.213 235 A HN 1.236 nan 8.150 nan 0.000 0.429 236 A N 2.840 125.699 122.820 0.064 0.000 2.341 236 A HA 0.634 4.954 4.320 -0.000 0.000 0.326 236 A C 0.840 178.469 177.584 0.075 0.000 1.402 236 A CA 0.272 52.351 52.037 0.070 0.000 0.957 236 A CB -0.454 18.594 19.000 0.080 0.000 1.151 236 A HN 1.254 nan 8.150 nan 0.000 0.533 237 T N -0.417 114.178 114.554 0.068 0.000 2.900 237 T HA 0.485 4.835 4.350 -0.000 0.000 0.326 237 T C 1.591 176.330 174.700 0.064 0.000 1.145 237 T CA 0.209 62.348 62.100 0.066 0.000 0.963 237 T CB 0.326 69.228 68.868 0.057 0.000 1.512 237 T HN 0.929 nan 8.240 nan 0.000 0.552 238 A N 0.485 123.338 122.820 0.056 0.000 1.969 238 A HA 0.026 4.346 4.320 -0.000 0.000 0.218 238 A C 2.490 180.103 177.584 0.048 0.000 1.169 238 A CA 1.761 53.829 52.037 0.052 0.000 0.635 238 A CB -1.229 17.798 19.000 0.044 0.000 0.810 238 A HN 1.003 nan 8.150 nan 0.000 0.445 239 S N -0.348 115.379 115.700 0.046 0.000 2.524 239 S HA 0.113 4.583 4.470 -0.000 0.000 0.216 239 S C 0.332 174.960 174.600 0.047 0.000 0.987 239 S CA -0.346 57.879 58.200 0.041 0.000 0.909 239 S CB -0.143 63.077 63.200 0.034 0.000 0.781 239 S HN 0.598 nan 8.310 nan 0.000 0.521 240 E N 2.137 122.373 120.200 0.059 0.000 2.338 240 E HA 0.482 4.832 4.350 -0.000 0.000 0.272 240 E C 0.028 176.678 176.600 0.083 0.000 1.029 240 E CA -0.269 56.174 56.400 0.072 0.000 0.872 240 E CB 0.846 30.594 29.700 0.081 0.000 1.015 240 E HN 0.457 nan 8.360 nan 0.000 0.417 241 A N 2.656 125.527 122.820 0.085 0.000 2.587 241 A HA 0.087 4.407 4.320 -0.000 0.000 0.235 241 A C 1.447 179.104 177.584 0.122 0.000 1.044 241 A CA 0.708 52.795 52.037 0.084 0.000 0.754 241 A CB 0.209 19.253 19.000 0.072 0.000 0.968 241 A HN 0.852 nan 8.150 nan 0.000 0.509 242 A N 4.075 126.960 122.820 0.108 0.000 1.927 242 A HA -0.111 4.208 4.320 -0.000 0.000 0.220 242 A C -0.085 177.656 177.584 0.261 0.000 1.185 242 A CA 2.189 54.316 52.037 0.150 0.000 0.639 242 A CB -1.649 17.410 19.000 0.099 0.000 0.820 242 A HN 0.662 nan 8.150 nan 0.000 0.451 243 P HA -0.120 nan 4.420 nan 0.000 0.218 243 P C 1.421 178.984 177.300 0.439 0.000 1.148 243 P CA 0.769 64.109 63.100 0.401 0.000 0.822 243 P CB -0.111 31.632 31.700 0.072 0.000 0.784 244 L N -0.988 120.466 121.223 0.384 0.000 2.056 244 L HA -0.192 4.148 4.340 -0.000 0.000 0.207 244 L C 2.632 179.617 176.870 0.192 0.000 1.078 244 L CA 1.528 56.544 54.840 0.293 0.000 0.749 244 L CB -0.800 41.390 42.059 0.219 0.000 0.901 244 L HN 0.012 nan 8.230 nan 0.000 0.433 245 Q N -0.838 119.088 119.800 0.210 0.000 2.124 245 Q HA -0.255 4.085 4.340 -0.000 0.000 0.202 245 Q C 2.071 178.204 176.000 0.222 0.000 0.977 245 Q CA 2.110 58.022 55.803 0.183 0.000 0.850 245 Q CB -0.162 28.682 28.738 0.177 0.000 0.901 245 Q HN 0.647 nan 8.270 nan 0.000 0.429 246 Y N -0.617 119.803 120.300 0.200 0.000 2.475 246 Y HA -0.026 4.524 4.550 -0.000 0.000 0.289 246 Y C 1.664 177.759 175.900 0.324 0.000 1.121 246 Y CA 0.323 58.568 58.100 0.241 0.000 1.257 246 Y CB -0.101 38.554 38.460 0.324 0.000 1.026 246 Y HN 0.032 nan 8.280 nan 0.000 0.555 247 L N 1.284 122.422 121.223 -0.141 0.000 2.209 247 L HA 0.231 4.571 4.340 -0.000 0.000 0.207 247 L C 2.461 179.376 176.870 0.076 0.000 1.094 247 L CA 1.646 56.441 54.840 -0.075 0.000 0.790 247 L CB -1.228 40.776 42.059 -0.092 0.000 0.932 247 L HN 0.282 nan 8.230 nan 0.000 0.447 248 A N 0.649 123.491 122.820 0.037 0.000 1.927 248 A HA -0.162 4.158 4.320 -0.000 0.000 0.220 248 A C -0.129 177.455 177.584 0.000 0.000 1.185 248 A CA 2.204 54.257 52.037 0.026 0.000 0.639 248 A CB -2.052 16.972 19.000 0.039 0.000 0.820 248 A HN 0.468 nan 8.150 nan 0.000 0.451 249 P HA -0.019 nan 4.420 nan 0.000 0.225 249 P C 0.870 178.024 177.300 -0.242 0.000 1.156 249 P CA 0.680 63.645 63.100 -0.225 0.000 0.787 249 P CB -0.116 31.174 31.700 -0.683 0.000 0.802 250 F N 0.192 120.100 119.950 -0.070 0.000 2.149 250 F HA -0.108 4.419 4.527 -0.000 0.000 0.294 250 F C 2.499 178.290 175.800 -0.015 0.000 1.095 250 F CA 1.861 59.820 58.000 -0.069 0.000 1.276 250 F CB -1.946 36.982 39.000 -0.119 0.000 1.023 250 F HN -0.049 nan 8.300 nan 0.000 0.480 251 T N -1.670 112.980 114.554 0.160 0.000 2.821 251 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 251 T C 2.194 176.951 174.700 0.095 0.000 1.046 251 T CA 0.965 63.119 62.100 0.090 0.000 1.139 251 T CB -0.905 67.983 68.868 0.034 0.000 0.871 251 T HN 0.172 nan 8.240 nan 0.000 0.454 252 A N 2.277 125.160 122.820 0.104 0.000 1.883 252 A HA 0.191 4.511 4.320 -0.000 0.000 0.217 252 A C 2.893 180.562 177.584 0.142 0.000 1.186 252 A CA 2.320 54.425 52.037 0.114 0.000 0.624 252 A CB -1.564 17.509 19.000 0.123 0.000 0.822 252 A HN 0.813 nan 8.150 nan 0.000 0.444 253 A N -0.500 122.430 122.820 0.185 0.000 1.908 253 A HA -0.123 4.196 4.320 -0.000 0.000 0.218 253 A C 2.456 180.133 177.584 0.156 0.000 1.181 253 A CA 2.292 54.441 52.037 0.186 0.000 0.627 253 A CB -0.983 18.132 19.000 0.192 0.000 0.818 253 A HN 0.500 nan 8.150 nan 0.000 0.445 254 S N -0.128 115.654 115.700 0.138 0.000 2.356 254 S HA -0.143 4.326 4.470 -0.000 0.000 0.223 254 S C 1.800 176.484 174.600 0.139 0.000 1.032 254 S CA 1.544 59.816 58.200 0.121 0.000 1.005 254 S CB -0.543 62.710 63.200 0.090 0.000 0.867 254 S HN 0.534 nan 8.310 nan 0.000 0.449 255 I N 1.602 122.251 120.570 0.131 0.000 2.208 255 I HA -0.186 3.984 4.170 -0.000 0.000 0.245 255 I C 2.649 178.927 176.117 0.267 0.000 1.097 255 I CA 1.299 62.687 61.300 0.147 0.000 1.363 255 I CB -0.752 37.317 38.000 0.116 0.000 1.051 255 I HN 0.383 nan 8.210 nan 0.000 0.413 256 G N -0.171 108.782 108.800 0.255 0.000 2.404 256 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.215 256 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.215 256 G C 1.511 176.627 174.900 0.360 0.000 1.174 256 G CA 0.397 45.689 45.100 0.320 0.000 0.780 256 G HN 0.378 nan 8.290 nan 0.000 0.537 257 E N -0.593 119.750 120.200 0.240 0.000 2.171 257 E HA -0.211 4.139 4.350 -0.000 0.000 0.197 257 E C 1.920 178.615 176.600 0.159 0.000 0.997 257 E CA 0.793 57.298 56.400 0.175 0.000 0.810 257 E CB -0.229 29.545 29.700 0.123 0.000 0.738 257 E HN 0.667 nan 8.360 nan 0.000 0.467 258 W N 0.604 121.900 121.300 -0.007 0.000 2.318 258 W HA -0.279 4.381 4.660 -0.000 0.000 0.313 258 W C 1.592 177.991 176.519 -0.200 0.000 1.221 258 W CA 1.781 59.031 57.345 -0.158 0.000 1.266 258 W CB -0.440 28.832 29.460 -0.312 0.000 1.150 258 W HN 0.001 nan 8.180 nan 0.000 0.496 259 F N 0.231 120.311 119.950 0.218 0.000 2.102 259 F HA -0.163 4.364 4.527 -0.000 0.000 0.298 259 F C 2.798 178.505 175.800 -0.154 0.000 1.105 259 F CA 2.271 60.276 58.000 0.008 0.000 1.239 259 F CB -1.330 37.770 39.000 0.166 0.000 0.991 259 F HN -0.180 nan 8.300 nan 0.000 0.474 260 R N 0.809 121.386 120.500 0.127 0.000 2.094 260 R HA -0.196 4.144 4.340 -0.000 0.000 0.239 260 R C 1.849 178.100 176.300 -0.081 0.000 1.137 260 R CA 2.289 58.411 56.100 0.037 0.000 0.943 260 R CB -0.615 29.728 30.300 0.072 0.000 0.850 260 R HN 0.216 nan 8.270 nan 0.000 0.433 261 D N 0.550 120.865 120.400 -0.141 0.000 2.104 261 D HA -0.148 4.492 4.640 -0.000 0.000 0.194 261 D C 0.507 176.627 176.300 -0.299 0.000 0.994 261 D CA 1.144 55.023 54.000 -0.201 0.000 0.830 261 D CB -0.453 40.215 40.800 -0.220 0.000 0.959 261 D HN 0.367 nan 8.370 nan 0.000 0.452 262 N N 0.397 118.790 118.700 -0.512 0.000 3.091 262 N HA 0.176 4.916 4.740 -0.000 0.000 0.301 262 N C 1.012 176.281 175.510 -0.401 0.000 1.325 262 N CA 0.314 53.010 53.050 -0.590 0.000 1.143 262 N CB 0.911 38.702 38.487 -1.160 0.000 1.450 262 N HN 0.213 nan 8.380 nan 0.000 0.542 263 G N 0.864 109.503 108.800 -0.268 0.000 2.302 263 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.263 263 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.263 263 G C 0.306 175.024 174.900 -0.303 0.000 0.995 263 G CA 0.565 45.534 45.100 -0.219 0.000 0.622 263 G HN 0.395 nan 8.290 nan 0.000 0.538 264 K N 0.600 120.831 120.400 -0.280 0.000 2.132 264 K HA 0.634 4.954 4.320 -0.000 0.000 0.241 264 K C -0.153 176.258 176.600 -0.315 0.000 1.000 264 K CA -0.799 55.323 56.287 -0.274 0.000 0.911 264 K CB 0.673 33.213 32.500 0.066 0.000 1.093 264 K HN 0.403 nan 8.250 nan 0.000 0.460 265 H N -0.367 118.769 119.070 0.110 0.000 2.492 265 H HA 0.594 5.150 4.556 -0.000 0.000 0.345 265 H C -0.768 174.603 175.328 0.072 0.000 1.136 265 H CA -0.851 55.232 56.048 0.057 0.000 1.202 265 H CB 1.858 31.607 29.762 -0.023 0.000 1.524 265 H HN 0.683 nan 8.280 nan 0.000 0.506 266 A N 2.372 125.288 122.820 0.161 0.000 2.479 266 A HA 0.598 4.917 4.320 -0.000 0.000 0.296 266 A C -1.356 176.246 177.584 0.029 0.000 1.121 266 A CA -0.736 51.341 52.037 0.066 0.000 0.743 266 A CB 1.962 21.020 19.000 0.097 0.000 1.323 266 A HN 0.510 nan 8.150 nan 0.000 0.415 267 L N 1.408 122.624 121.223 -0.012 0.000 2.404 267 L HA 0.723 5.063 4.340 -0.000 0.000 0.272 267 L C -1.226 175.598 176.870 -0.076 0.000 0.980 267 L CA -0.268 54.549 54.840 -0.038 0.000 0.836 267 L CB 1.135 43.172 42.059 -0.037 0.000 1.238 267 L HN 0.703 nan 8.230 nan 0.000 0.408 268 I N 5.057 125.541 120.570 -0.144 0.000 2.392 268 I HA 0.599 4.769 4.170 -0.000 0.000 0.295 268 I C -1.078 174.760 176.117 -0.465 0.000 0.985 268 I CA -0.615 60.496 61.300 -0.315 0.000 1.221 268 I CB 1.627 39.391 38.000 -0.394 0.000 1.366 268 I HN 0.422 nan 8.210 nan 0.000 0.467 269 V N 7.931 127.530 119.914 -0.525 0.000 2.380 269 V HA 0.280 4.400 4.120 -0.000 0.000 0.286 269 V C -1.182 174.529 176.094 -0.639 0.000 1.015 269 V CA -0.526 61.481 62.300 -0.487 0.000 0.834 269 V CB 0.955 32.634 31.823 -0.240 0.000 1.009 269 V HN 0.453 nan 8.190 nan 0.000 0.428 270 Y N 2.571 122.714 120.300 -0.261 0.000 2.452 270 Y HA 0.489 5.039 4.550 -0.000 0.000 0.348 270 Y C 0.504 176.220 175.900 -0.307 0.000 0.985 270 Y CA -0.703 57.221 58.100 -0.294 0.000 1.214 270 Y CB 0.606 38.906 38.460 -0.266 0.000 1.136 270 Y HN 0.496 nan 8.280 nan 0.000 0.523 271 D N 3.883 124.132 120.400 -0.251 0.000 2.420 271 D HA 0.159 4.799 4.640 -0.000 0.000 0.255 271 D C -1.369 174.875 176.300 -0.094 0.000 1.185 271 D CA -0.484 53.386 54.000 -0.218 0.000 0.904 271 D CB 0.543 41.111 40.800 -0.387 0.000 1.102 271 D HN 0.687 nan 8.370 nan 0.000 0.534 272 D N 1.217 121.592 120.400 -0.041 0.000 2.414 272 D HA 0.228 4.868 4.640 -0.000 0.000 0.241 272 D C 1.320 177.585 176.300 -0.060 0.000 1.008 272 D CA -0.746 53.222 54.000 -0.052 0.000 1.001 272 D CB 1.088 41.869 40.800 -0.031 0.000 1.277 272 D HN 0.127 nan 8.370 nan 0.000 0.538 273 L N 0.011 121.164 121.223 -0.117 0.000 2.217 273 L HA -0.085 4.255 4.340 -0.000 0.000 0.211 273 L C 2.000 178.840 176.870 -0.049 0.000 1.107 273 L CA 0.626 55.334 54.840 -0.221 0.000 0.783 273 L CB -0.425 41.305 42.059 -0.549 0.000 0.919 273 L HN 0.383 nan 8.230 nan 0.000 0.442 274 S N 0.431 116.129 115.700 -0.003 0.000 2.359 274 S HA -0.250 4.220 4.470 -0.000 0.000 0.222 274 S C 1.917 176.593 174.600 0.127 0.000 1.038 274 S CA 1.604 59.849 58.200 0.075 0.000 1.051 274 S CB -0.175 63.057 63.200 0.054 0.000 0.944 274 S HN 0.387 nan 8.310 nan 0.000 0.433 275 K N 0.800 121.255 120.400 0.091 0.000 2.288 275 K HA -0.004 4.316 4.320 -0.000 0.000 0.201 275 K C 2.437 179.119 176.600 0.138 0.000 1.048 275 K CA 0.485 56.837 56.287 0.107 0.000 0.956 275 K CB -0.084 32.462 32.500 0.077 0.000 0.746 275 K HN 0.382 nan 8.250 nan 0.000 0.461 276 Q N 0.722 120.601 119.800 0.131 0.000 2.079 276 Q HA -0.155 4.185 4.340 -0.000 0.000 0.200 276 Q C 1.967 178.136 176.000 0.282 0.000 0.974 276 Q CA 1.534 57.445 55.803 0.180 0.000 0.840 276 Q CB -0.054 28.737 28.738 0.089 0.000 0.898 276 Q HN 0.307 nan 8.270 nan 0.000 0.430 277 A N 0.116 123.132 122.820 0.326 0.000 1.933 277 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 277 A C 2.212 180.054 177.584 0.430 0.000 1.175 277 A CA 1.431 53.704 52.037 0.393 0.000 0.628 277 A CB -0.657 18.553 19.000 0.350 0.000 0.814 277 A HN 0.298 nan 8.150 nan 0.000 0.444 278 V N -0.150 119.952 119.914 0.313 0.000 2.407 278 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 278 V C 3.031 179.186 176.094 0.101 0.000 1.055 278 V CA 1.822 64.207 62.300 0.142 0.000 1.049 278 V CB -1.178 30.711 31.823 0.110 0.000 0.662 278 V HN 0.624 nan 8.190 nan 0.000 0.455 279 A N -0.700 122.218 122.820 0.162 0.000 1.858 279 A HA -0.290 4.030 4.320 -0.000 0.000 0.216 279 A C 2.183 179.848 177.584 0.135 0.000 1.190 279 A CA 2.198 54.334 52.037 0.165 0.000 0.617 279 A CB -0.891 18.256 19.000 0.244 0.000 0.827 279 A HN 0.593 nan 8.150 nan 0.000 0.443 280 Y N 0.344 120.657 120.300 0.021 0.000 2.224 280 Y HA -0.179 4.371 4.550 -0.000 0.000 0.289 280 Y C 2.508 178.337 175.900 -0.118 0.000 1.146 280 Y CA 1.982 59.982 58.100 -0.167 0.000 1.182 280 Y CB -0.306 38.071 38.460 -0.140 0.000 0.983 280 Y HN 0.327 nan 8.280 nan 0.000 0.524 281 R N 0.140 120.606 120.500 -0.056 0.000 2.115 281 R HA -0.210 4.130 4.340 -0.000 0.000 0.230 281 R C 2.388 178.562 176.300 -0.211 0.000 1.111 281 R CA 1.615 57.604 56.100 -0.185 0.000 0.976 281 R CB -0.263 29.861 30.300 -0.294 0.000 0.870 281 R HN 0.552 nan 8.270 nan 0.000 0.445 282 Q N 0.738 120.450 119.800 -0.146 0.000 1.993 282 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 282 Q C 2.264 178.177 176.000 -0.146 0.000 0.984 282 Q CA 1.877 57.610 55.803 -0.116 0.000 0.837 282 Q CB -0.242 28.464 28.738 -0.054 0.000 0.902 282 Q HN 0.477 nan 8.270 nan 0.000 0.423 283 L N 0.365 121.481 121.223 -0.178 0.000 2.043 283 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 283 L C 2.247 178.964 176.870 -0.256 0.000 1.075 283 L CA 1.978 56.697 54.840 -0.202 0.000 0.752 283 L CB -0.390 41.525 42.059 -0.240 0.000 0.891 283 L HN 0.203 nan 8.230 nan 0.000 0.432 284 S N 0.096 115.568 115.700 -0.381 0.000 2.368 284 S HA -0.138 4.331 4.470 -0.000 0.000 0.225 284 S C 1.847 176.329 174.600 -0.197 0.000 1.030 284 S CA 1.713 59.704 58.200 -0.348 0.000 0.999 284 S CB -0.397 62.535 63.200 -0.447 0.000 0.844 284 S HN 0.438 nan 8.310 nan 0.000 0.459 285 L N 0.790 121.911 121.223 -0.169 0.000 2.156 285 L HA 0.008 4.348 4.340 -0.000 0.000 0.208 285 L C 2.102 178.917 176.870 -0.091 0.000 1.095 285 L CA 0.702 55.474 54.840 -0.114 0.000 0.770 285 L CB -0.439 41.556 42.059 -0.107 0.000 0.914 285 L HN 0.266 nan 8.230 nan 0.000 0.439 286 L N -0.734 120.430 121.223 -0.097 0.000 2.056 286 L HA -0.190 4.150 4.340 -0.000 0.000 0.207 286 L C 2.262 179.090 176.870 -0.070 0.000 1.078 286 L CA 1.065 55.860 54.840 -0.075 0.000 0.749 286 L CB -0.343 41.673 42.059 -0.071 0.000 0.901 286 L HN 0.224 nan 8.230 nan 0.000 0.433 287 L N -0.268 120.902 121.223 -0.088 0.000 2.633 287 L HA -0.068 4.272 4.340 -0.000 0.000 0.235 287 L C 0.891 177.725 176.870 -0.061 0.000 1.163 287 L CA 0.472 55.268 54.840 -0.074 0.000 0.859 287 L CB -0.246 41.757 42.059 -0.093 0.000 0.973 287 L HN 0.311 nan 8.230 nan 0.000 0.451 288 R N -0.939 119.522 120.500 -0.064 0.000 3.875 288 R HA -0.149 4.191 4.340 -0.000 0.000 0.321 288 R C -0.123 176.151 176.300 -0.044 0.000 1.196 288 R CA 0.298 56.369 56.100 -0.049 0.000 0.868 288 R CB -1.607 28.672 30.300 -0.034 0.000 1.333 288 R HN 0.290 nan 8.270 nan 0.000 0.522 289 R N 1.467 121.932 120.500 -0.058 0.000 2.734 289 R HA 0.112 4.452 4.340 -0.000 0.000 0.266 289 R C -1.837 174.441 176.300 -0.036 0.000 1.044 289 R CA -1.048 55.025 56.100 -0.045 0.000 1.128 289 R CB -0.198 30.062 30.300 -0.066 0.000 1.010 289 R HN 0.022 nan 8.270 nan 0.000 0.461 290 P HA 0.253 nan 4.420 nan 0.000 0.279 290 P C -2.513 174.787 177.300 0.001 0.000 1.239 290 P CA -1.693 61.402 63.100 -0.009 0.000 0.789 290 P CB 0.038 31.738 31.700 0.001 0.000 0.933 291 P HA 0.248 nan 4.420 nan 0.000 0.280 291 P C 0.539 177.861 177.300 0.037 0.000 1.244 291 P CA 0.056 63.166 63.100 0.015 0.000 0.784 291 P CB 0.822 32.519 31.700 -0.006 0.000 0.913 292 G N 2.360 111.209 108.800 0.082 0.000 3.182 292 G HA2 0.220 4.180 3.960 -0.000 0.000 0.167 292 G HA3 0.220 4.180 3.960 -0.000 0.000 0.167 292 G C -0.325 174.597 174.900 0.038 0.000 1.537 292 G CA -0.541 44.598 45.100 0.064 0.000 1.046 292 G HN 0.515 nan 8.290 nan 0.000 0.580 293 R N 0.408 120.886 120.500 -0.036 0.000 2.590 293 R HA 0.181 4.520 4.340 -0.000 0.000 0.274 293 R C 0.052 176.428 176.300 0.127 0.000 1.061 293 R CA 0.497 56.514 56.100 -0.138 0.000 1.081 293 R CB -0.036 29.855 30.300 -0.681 0.000 0.984 293 R HN 0.635 nan 8.270 nan 0.000 0.448 294 E N 2.490 122.764 120.200 0.124 0.000 2.494 294 E HA -0.348 4.002 4.350 -0.000 0.000 0.249 294 E C 0.384 177.103 176.600 0.199 0.000 1.184 294 E CA 0.548 57.088 56.400 0.234 0.000 0.727 294 E CB -1.082 28.864 29.700 0.412 0.000 1.281 294 E HN 0.853 nan 8.360 nan 0.000 0.405 295 A N -2.544 120.336 122.820 0.099 0.000 3.721 295 A HA -0.340 3.980 4.320 -0.000 0.000 0.270 295 A C 0.293 177.881 177.584 0.006 0.000 1.036 295 A CA 1.845 53.887 52.037 0.008 0.000 1.102 295 A CB -1.950 17.005 19.000 -0.075 0.000 1.100 295 A HN 0.471 nan 8.150 nan 0.000 0.887 296 Y N 1.166 121.529 120.300 0.105 0.000 2.550 296 Y HA 0.363 4.913 4.550 -0.000 0.000 0.343 296 Y C -1.335 174.635 175.900 0.117 0.000 1.245 296 Y CA -0.727 57.450 58.100 0.128 0.000 1.462 296 Y CB 0.199 38.791 38.460 0.219 0.000 1.340 296 Y HN 0.259 nan 8.280 nan 0.000 0.604 297 P HA -0.015 nan 4.420 nan 0.000 0.271 297 P C 0.599 178.041 177.300 0.237 0.000 1.218 297 P CA 0.205 63.401 63.100 0.160 0.000 0.780 297 P CB 0.902 32.639 31.700 0.063 0.000 0.901 298 G N 2.561 111.468 108.800 0.179 0.000 2.517 298 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.222 298 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.222 298 G C 0.716 175.745 174.900 0.215 0.000 1.109 298 G CA 0.886 46.096 45.100 0.183 0.000 0.746 298 G HN 0.651 nan 8.290 nan 0.000 0.576 299 D N -0.059 120.487 120.400 0.243 0.000 2.424 299 D HA 0.106 4.746 4.640 -0.000 0.000 0.220 299 D C 1.796 178.253 176.300 0.263 0.000 1.150 299 D CA -0.256 53.909 54.000 0.275 0.000 0.831 299 D CB 0.037 41.014 40.800 0.295 0.000 0.981 299 D HN 0.128 nan 8.370 nan 0.000 0.500 300 V N 0.002 120.040 119.914 0.207 0.000 2.490 300 V HA -0.158 3.962 4.120 -0.000 0.000 0.250 300 V C 1.849 177.827 176.094 -0.194 0.000 1.061 300 V CA 1.292 63.595 62.300 0.006 0.000 1.064 300 V CB -0.826 31.003 31.823 0.010 0.000 0.670 300 V HN 0.212 nan 8.190 nan 0.000 0.461 301 F N 0.326 120.167 119.950 -0.182 0.000 2.095 301 F HA -0.257 4.270 4.527 -0.000 0.000 0.298 301 F C 2.170 177.954 175.800 -0.026 0.000 1.104 301 F CA 2.562 60.477 58.000 -0.143 0.000 1.232 301 F CB -0.762 38.208 39.000 -0.051 0.000 0.987 301 F HN 0.366 nan 8.300 nan 0.000 0.475 302 Y N 0.790 121.039 120.300 -0.085 0.000 2.181 302 Y HA -0.210 4.339 4.550 -0.000 0.000 0.288 302 Y C 2.243 178.037 175.900 -0.177 0.000 1.146 302 Y CA 1.694 59.716 58.100 -0.130 0.000 1.164 302 Y CB -1.042 37.439 38.460 0.036 0.000 0.982 302 Y HN 0.257 nan 8.280 nan 0.000 0.515 303 L N -0.175 120.897 121.223 -0.253 0.000 2.051 303 L HA -0.302 4.038 4.340 -0.000 0.000 0.214 303 L C 2.047 178.824 176.870 -0.156 0.000 1.076 303 L CA 2.524 57.176 54.840 -0.313 0.000 0.758 303 L CB -0.831 40.914 42.059 -0.522 0.000 0.890 303 L HN 0.415 nan 8.230 nan 0.000 0.433 304 H N -1.905 116.987 119.070 -0.296 0.000 2.486 304 H HA 0.039 4.595 4.556 -0.000 0.000 0.287 304 H C 2.339 177.449 175.328 -0.364 0.000 1.010 304 H CA 0.656 56.496 56.048 -0.347 0.000 1.324 304 H CB 0.089 29.660 29.762 -0.318 0.000 1.446 304 H HN 0.546 nan 8.280 nan 0.000 0.537 305 S N 1.718 117.202 115.700 -0.360 0.000 2.368 305 S HA -0.203 4.266 4.470 -0.000 0.000 0.224 305 S C 2.112 176.599 174.600 -0.188 0.000 1.029 305 S CA 1.030 59.001 58.200 -0.381 0.000 0.988 305 S CB -0.250 62.529 63.200 -0.703 0.000 0.838 305 S HN 0.510 nan 8.310 nan 0.000 0.462 306 R N 0.796 121.173 120.500 -0.205 0.000 2.120 306 R HA 0.046 4.386 4.340 -0.000 0.000 0.234 306 R C 2.272 178.545 176.300 -0.045 0.000 1.123 306 R CA 1.278 57.292 56.100 -0.144 0.000 0.975 306 R CB -0.733 29.343 30.300 -0.374 0.000 0.866 306 R HN 0.437 nan 8.270 nan 0.000 0.446 307 L N 1.159 122.348 121.223 -0.058 0.000 1.988 307 L HA -0.027 4.312 4.340 -0.000 0.000 0.207 307 L C 2.221 179.020 176.870 -0.117 0.000 1.071 307 L CA 1.620 56.380 54.840 -0.134 0.000 0.744 307 L CB -0.336 41.432 42.059 -0.484 0.000 0.893 307 L HN 0.233 nan 8.230 nan 0.000 0.433 308 L N -0.679 120.465 121.223 -0.133 0.000 2.217 308 L HA -0.104 4.236 4.340 -0.000 0.000 0.211 308 L C 2.558 179.425 176.870 -0.005 0.000 1.107 308 L CA 0.640 55.448 54.840 -0.054 0.000 0.783 308 L CB -0.551 41.465 42.059 -0.072 0.000 0.919 308 L HN 0.361 nan 8.230 nan 0.000 0.442 309 E N 0.517 120.708 120.200 -0.014 0.000 2.153 309 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 309 E C 2.168 178.786 176.600 0.029 0.000 0.988 309 E CA 0.919 57.326 56.400 0.012 0.000 0.811 309 E CB -0.010 29.699 29.700 0.016 0.000 0.746 309 E HN 0.484 nan 8.360 nan 0.000 0.466 310 R N 0.514 121.035 120.500 0.035 0.000 2.261 310 R HA -0.056 4.284 4.340 -0.000 0.000 0.236 310 R C 0.951 177.287 176.300 0.060 0.000 1.141 310 R CA 0.610 56.742 56.100 0.053 0.000 1.001 310 R CB -0.226 30.116 30.300 0.069 0.000 0.866 310 R HN -0.055 nan 8.270 nan 0.000 0.468 311 A N 1.216 124.071 122.820 0.059 0.000 2.354 311 A HA 0.613 4.933 4.320 -0.000 0.000 0.281 311 A C -0.228 177.379 177.584 0.039 0.000 1.174 311 A CA -0.046 52.024 52.037 0.054 0.000 0.828 311 A CB 0.502 19.535 19.000 0.055 0.000 1.099 311 A HN 0.287 nan 8.150 nan 0.000 0.516 312 A N 2.488 125.331 122.820 0.038 0.000 2.608 312 A HA 0.679 4.999 4.320 -0.000 0.000 0.292 312 A C -0.822 176.780 177.584 0.030 0.000 1.066 312 A CA -0.782 51.273 52.037 0.030 0.000 0.676 312 A CB 1.003 20.022 19.000 0.032 0.000 1.277 312 A HN 0.822 nan 8.150 nan 0.000 0.413 313 K N 1.506 121.919 120.400 0.022 0.000 2.234 313 K HA 0.653 4.973 4.320 -0.000 0.000 0.277 313 K C -1.043 175.576 176.600 0.032 0.000 1.038 313 K CA -0.192 56.109 56.287 0.023 0.000 0.888 313 K CB 0.229 32.727 32.500 -0.003 0.000 1.091 313 K HN 0.572 nan 8.250 nan 0.000 0.467 314 L N 3.342 124.589 121.223 0.040 0.000 2.395 314 L HA 0.300 4.640 4.340 -0.000 0.000 0.269 314 L C 0.451 177.342 176.870 0.035 0.000 1.133 314 L CA -0.742 54.116 54.840 0.030 0.000 0.812 314 L CB 1.359 43.427 42.059 0.015 0.000 1.125 314 L HN 0.840 nan 8.230 nan 0.000 0.452 315 S N 0.336 116.052 115.700 0.027 0.000 2.580 315 S HA 0.102 4.572 4.470 -0.000 0.000 0.274 315 S C 0.842 175.455 174.600 0.022 0.000 1.329 315 S CA -0.706 57.511 58.200 0.029 0.000 1.036 315 S CB 1.297 64.509 63.200 0.021 0.000 0.919 315 S HN 0.669 nan 8.310 nan 0.000 0.515 316 E N 2.075 122.291 120.200 0.027 0.000 2.276 316 E HA -0.283 4.067 4.350 -0.000 0.000 0.226 316 E C 1.407 178.009 176.600 0.004 0.000 1.090 316 E CA 2.240 58.650 56.400 0.018 0.000 0.930 316 E CB -0.398 29.312 29.700 0.016 0.000 0.791 316 E HN 0.754 nan 8.360 nan 0.000 0.467 317 K N 0.049 120.450 120.400 0.002 0.000 2.574 317 K HA -0.076 4.244 4.320 -0.000 0.000 0.193 317 K C 0.744 177.336 176.600 -0.012 0.000 1.035 317 K CA 0.710 56.994 56.287 -0.005 0.000 0.982 317 K CB 0.196 32.695 32.500 -0.003 0.000 0.795 317 K HN 0.198 nan 8.250 nan 0.000 0.491 318 E N -1.169 119.023 120.200 -0.013 0.000 2.562 318 E HA 0.093 4.443 4.350 -0.000 0.000 0.214 318 E C 0.958 177.532 176.600 -0.043 0.000 0.979 318 E CA 0.361 56.746 56.400 -0.025 0.000 1.002 318 E CB 1.510 31.200 29.700 -0.016 0.000 1.048 318 E HN 0.381 nan 8.360 nan 0.000 0.488 319 G N 1.195 109.972 108.800 -0.038 0.000 2.218 319 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.216 319 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.216 319 G C 0.621 175.495 174.900 -0.043 0.000 0.994 319 G CA 0.208 45.273 45.100 -0.058 0.000 0.637 319 G HN 0.085 nan 8.290 nan 0.000 0.505 320 S N -0.741 114.954 115.700 -0.009 0.000 3.380 320 S HA -0.152 4.317 4.470 -0.000 0.000 0.300 320 S C 1.521 176.160 174.600 0.065 0.000 1.255 320 S CA 1.624 59.847 58.200 0.038 0.000 0.963 320 S CB -1.341 61.898 63.200 0.065 0.000 1.106 320 S HN 2.209 nan 8.310 nan 0.000 0.629 321 G N 1.049 109.841 108.800 -0.014 0.000 2.606 321 G HA2 0.517 4.477 3.960 -0.000 0.000 0.252 321 G HA3 0.517 4.477 3.960 -0.000 0.000 0.252 321 G C -0.127 174.845 174.900 0.119 0.000 1.206 321 G CA 0.428 45.512 45.100 -0.027 0.000 0.861 321 G HN 1.184 nan 8.290 nan 0.000 0.561 322 S N -0.642 115.188 115.700 0.216 0.000 2.546 322 S HA 0.625 5.095 4.470 -0.000 0.000 0.274 322 S C -1.328 173.348 174.600 0.127 0.000 1.121 322 S CA -0.838 57.459 58.200 0.163 0.000 0.887 322 S CB 2.010 65.294 63.200 0.139 0.000 1.094 322 S HN 0.777 nan 8.310 nan 0.000 0.474 323 L N 2.244 123.516 121.223 0.081 0.000 2.333 323 L HA 0.717 5.057 4.340 -0.000 0.000 0.280 323 L C -0.618 176.272 176.870 0.034 0.000 1.004 323 L CA 0.232 55.113 54.840 0.069 0.000 0.820 323 L CB 2.002 44.109 42.059 0.080 0.000 1.247 323 L HN 0.941 nan 8.230 nan 0.000 0.416 324 T N 4.346 118.906 114.554 0.010 0.000 2.797 324 T HA 0.806 5.156 4.350 -0.000 0.000 0.279 324 T C -0.448 174.234 174.700 -0.030 0.000 0.991 324 T CA -0.381 61.711 62.100 -0.014 0.000 0.979 324 T CB 1.433 70.279 68.868 -0.036 0.000 0.943 324 T HN 0.738 nan 8.240 nan 0.000 0.444 325 A N 3.529 126.338 122.820 -0.019 0.000 2.330 325 A HA 0.802 5.122 4.320 -0.000 0.000 0.327 325 A C -0.613 176.948 177.584 -0.039 0.000 1.155 325 A CA -0.714 51.303 52.037 -0.034 0.000 0.803 325 A CB 0.482 19.521 19.000 0.064 0.000 1.208 325 A HN 0.857 nan 8.150 nan 0.000 0.477 326 L N 4.633 125.802 121.223 -0.090 0.000 2.433 326 L HA 0.348 4.688 4.340 -0.000 0.000 0.256 326 L C -2.395 174.435 176.870 -0.066 0.000 1.063 326 L CA -1.667 53.135 54.840 -0.063 0.000 0.922 326 L CB 1.767 43.787 42.059 -0.064 0.000 1.238 326 L HN 0.507 nan 8.230 nan 0.000 0.466 327 P HA 0.245 nan 4.420 nan 0.000 0.276 327 P C -0.689 176.594 177.300 -0.028 0.000 1.244 327 P CA -0.333 62.794 63.100 0.045 0.000 0.801 327 P CB 2.221 33.943 31.700 0.036 0.000 1.006 328 V N 2.984 122.868 119.914 -0.049 0.000 2.487 328 V HA 0.362 4.482 4.120 -0.000 0.000 0.298 328 V C 0.162 176.222 176.094 -0.056 0.000 1.028 328 V CA -0.582 61.686 62.300 -0.053 0.000 0.860 328 V CB 1.614 33.403 31.823 -0.056 0.000 0.991 328 V HN 0.394 nan 8.190 nan 0.000 0.427 329 I N 3.546 124.095 120.570 -0.035 0.000 2.465 329 I HA 0.405 4.575 4.170 -0.000 0.000 0.291 329 I C 0.154 176.267 176.117 -0.007 0.000 1.014 329 I CA -0.450 60.840 61.300 -0.018 0.000 1.093 329 I CB 1.971 39.970 38.000 -0.001 0.000 1.267 329 I HN 0.777 nan 8.210 nan 0.000 0.431 330 E N 5.576 125.778 120.200 0.002 0.000 2.014 330 E HA 0.263 4.613 4.350 -0.000 0.000 0.275 330 E C -0.250 176.366 176.600 0.028 0.000 0.997 330 E CA -0.387 56.014 56.400 0.001 0.000 0.804 330 E CB 0.737 30.439 29.700 0.004 0.000 1.090 330 E HN 0.707 nan 8.360 nan 0.000 0.401 331 T N 1.950 116.524 114.554 0.033 0.000 2.828 331 T HA 0.202 4.552 4.350 -0.000 0.000 0.290 331 T C 0.131 174.859 174.700 0.047 0.000 1.019 331 T CA -0.817 61.321 62.100 0.063 0.000 1.031 331 T CB 1.274 70.209 68.868 0.111 0.000 1.001 331 T HN 0.385 nan 8.240 nan 0.000 0.531 332 Q N 0.687 120.522 119.800 0.058 0.000 2.381 332 Q HA 0.455 4.795 4.340 -0.000 0.000 0.263 332 Q C 0.707 176.734 176.000 0.046 0.000 1.030 332 Q CA -0.246 55.584 55.803 0.045 0.000 0.772 332 Q CB 1.291 30.059 28.738 0.050 0.000 1.232 332 Q HN 1.336 nan 8.270 nan 0.000 0.476 333 G N 1.670 110.492 108.800 0.035 0.000 2.256 333 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.272 333 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.272 333 G C 0.708 175.647 174.900 0.066 0.000 1.076 333 G CA 0.568 45.691 45.100 0.037 0.000 0.882 333 G HN 1.178 nan 8.290 nan 0.000 0.497 334 G N -0.550 108.310 108.800 0.099 0.000 2.341 334 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.292 334 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.292 334 G C 0.135 175.125 174.900 0.151 0.000 1.021 334 G CA 0.998 46.213 45.100 0.192 0.000 0.905 334 G HN 1.412 nan 8.290 nan 0.000 0.508 335 D N -0.009 120.458 120.400 0.111 0.000 2.467 335 D HA 0.404 5.044 4.640 -0.000 0.000 0.220 335 D C 1.381 177.728 176.300 0.078 0.000 1.103 335 D CA -0.071 53.973 54.000 0.072 0.000 0.886 335 D CB 0.788 41.624 40.800 0.060 0.000 1.025 335 D HN 0.476 nan 8.370 nan 0.000 0.514 336 V N 1.215 121.157 119.914 0.048 0.000 3.514 336 V HA 0.193 4.313 4.120 -0.000 0.000 0.301 336 V C 1.177 177.286 176.094 0.025 0.000 1.346 336 V CA -0.074 62.251 62.300 0.042 0.000 1.156 336 V CB -0.047 31.765 31.823 -0.017 0.000 1.029 336 V HN 0.287 nan 8.190 nan 0.000 0.428 337 S N 1.136 116.853 115.700 0.027 0.000 2.575 337 S HA 0.544 5.013 4.470 -0.000 0.000 0.215 337 S C 1.204 175.840 174.600 0.061 0.000 0.966 337 S CA 0.418 58.638 58.200 0.033 0.000 0.911 337 S CB 0.052 63.263 63.200 0.019 0.000 0.780 337 S HN 0.841 nan 8.310 nan 0.000 0.514 338 A N 0.644 123.509 122.820 0.075 0.000 2.366 338 A HA 0.406 4.726 4.320 -0.000 0.000 0.249 338 A C 0.878 178.549 177.584 0.146 0.000 1.084 338 A CA -0.310 51.789 52.037 0.103 0.000 0.794 338 A CB -0.050 19.008 19.000 0.096 0.000 1.034 338 A HN 0.287 nan 8.150 nan 0.000 0.491 339 Y N 1.480 121.774 120.300 -0.010 0.000 2.053 339 Y HA -0.237 4.313 4.550 -0.000 0.000 0.277 339 Y C 1.952 177.813 175.900 -0.065 0.000 1.159 339 Y CA 2.221 60.296 58.100 -0.042 0.000 1.125 339 Y CB -0.276 38.145 38.460 -0.066 0.000 0.969 339 Y HN 0.526 nan 8.280 nan 0.000 0.492 340 I N 0.511 120.977 120.570 -0.173 0.000 2.142 340 I HA -0.208 3.961 4.170 -0.000 0.000 0.240 340 I C -0.304 175.778 176.117 -0.059 0.000 1.078 340 I CA 1.458 62.614 61.300 -0.241 0.000 1.343 340 I CB -2.893 34.967 38.000 -0.234 0.000 1.046 340 I HN 0.147 nan 8.210 nan 0.000 0.405 341 P HA -0.161 nan 4.420 nan 0.000 0.215 341 P C 1.829 179.158 177.300 0.048 0.000 1.157 341 P CA 2.592 65.716 63.100 0.040 0.000 0.874 341 P CB -0.341 31.398 31.700 0.065 0.000 0.790 342 T N -3.537 111.051 114.554 0.057 0.000 2.821 342 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 342 T C 1.735 176.486 174.700 0.085 0.000 1.046 342 T CA 1.180 63.322 62.100 0.070 0.000 1.139 342 T CB -1.114 67.808 68.868 0.090 0.000 0.871 342 T HN -0.001 nan 8.240 nan 0.000 0.454 343 N N 1.426 120.165 118.700 0.064 0.000 2.043 343 N HA -0.070 4.669 4.740 -0.000 0.000 0.193 343 N C 2.037 177.647 175.510 0.166 0.000 1.037 343 N CA 1.428 54.567 53.050 0.149 0.000 0.851 343 N CB -0.681 37.821 38.487 0.024 0.000 1.027 343 N HN 0.342 nan 8.380 nan 0.000 0.422 344 V N 1.896 121.862 119.914 0.086 0.000 2.427 344 V HA -0.114 4.006 4.120 -0.000 0.000 0.248 344 V C 2.297 178.423 176.094 0.054 0.000 1.051 344 V CA 0.978 63.309 62.300 0.051 0.000 1.048 344 V CB -0.386 31.441 31.823 0.006 0.000 0.666 344 V HN 0.235 nan 8.190 nan 0.000 0.456 345 I N 1.440 122.049 120.570 0.064 0.000 2.361 345 I HA -0.196 3.974 4.170 -0.000 0.000 0.251 345 I C 2.376 178.538 176.117 0.076 0.000 1.133 345 I CA 1.848 63.185 61.300 0.062 0.000 1.413 345 I CB -0.415 37.617 38.000 0.054 0.000 1.073 345 I HN 0.494 nan 8.210 nan 0.000 0.424 346 S N -0.162 115.606 115.700 0.113 0.000 2.603 346 S HA 0.149 4.619 4.470 -0.000 0.000 0.220 346 S C 1.534 176.241 174.600 0.178 0.000 0.967 346 S CA 0.104 58.390 58.200 0.144 0.000 0.920 346 S CB -0.246 63.052 63.200 0.164 0.000 0.773 346 S HN 0.404 nan 8.310 nan 0.000 0.529 347 I N 1.732 122.380 120.570 0.129 0.000 2.900 347 I HA 0.056 4.226 4.170 -0.000 0.000 0.251 347 I C 1.498 177.643 176.117 0.046 0.000 1.102 347 I CA 0.613 61.956 61.300 0.072 0.000 1.457 347 I CB -0.586 37.401 38.000 -0.023 0.000 1.285 347 I HN 0.319 nan 8.210 nan 0.000 0.459 348 T N -1.038 113.536 114.554 0.033 0.000 2.802 348 T HA 0.029 4.379 4.350 -0.000 0.000 0.305 348 T C 0.279 174.999 174.700 0.034 0.000 1.053 348 T CA -0.357 61.759 62.100 0.026 0.000 1.058 348 T CB 0.556 69.436 68.868 0.021 0.000 0.988 348 T HN 0.124 nan 8.240 nan 0.000 0.539 349 D N 0.793 121.210 120.400 0.028 0.000 2.538 349 D HA 0.393 5.032 4.640 -0.000 0.000 0.234 349 D C 0.845 177.161 176.300 0.027 0.000 1.191 349 D CA 0.107 54.124 54.000 0.028 0.000 0.828 349 D CB -0.291 40.523 40.800 0.023 0.000 0.981 349 D HN 0.973 nan 8.370 nan 0.000 0.490 350 G N 0.631 109.450 108.800 0.031 0.000 2.345 350 G HA2 0.218 4.178 3.960 -0.000 0.000 0.310 350 G HA3 0.218 4.178 3.960 -0.000 0.000 0.310 350 G C -1.870 173.054 174.900 0.042 0.000 1.476 350 G CA -1.017 44.104 45.100 0.035 0.000 0.978 350 G HN 0.012 nan 8.290 nan 0.000 0.656 351 Q N -0.504 119.329 119.800 0.054 0.000 2.356 351 Q HA 0.736 5.076 4.340 -0.000 0.000 0.270 351 Q C -0.439 175.615 176.000 0.089 0.000 1.058 351 Q CA -0.596 55.252 55.803 0.075 0.000 0.802 351 Q CB 2.684 31.481 28.738 0.099 0.000 1.303 351 Q HN 0.604 nan 8.270 nan 0.000 0.444 352 I N 2.374 122.994 120.570 0.084 0.000 2.307 352 I HA 0.316 4.486 4.170 -0.000 0.000 0.289 352 I C -0.927 175.264 176.117 0.123 0.000 1.021 352 I CA -0.627 60.727 61.300 0.090 0.000 1.224 352 I CB 0.447 38.475 38.000 0.046 0.000 1.376 352 I HN 0.522 nan 8.210 nan 0.000 0.470 353 F N 7.929 127.891 119.950 0.020 0.000 2.411 353 F HA 0.515 5.042 4.527 -0.000 0.000 0.350 353 F C -0.616 175.200 175.800 0.026 0.000 1.114 353 F CA -0.553 57.459 58.000 0.019 0.000 1.135 353 F CB 0.699 39.711 39.000 0.019 0.000 1.120 353 F HN 0.215 nan 8.300 nan 0.000 0.495 354 L N 6.477 127.236 121.223 -0.774 0.000 2.301 354 L HA 0.361 4.701 4.340 -0.000 0.000 0.278 354 L C -0.064 176.379 176.870 -0.712 0.000 1.022 354 L CA -0.500 54.030 54.840 -0.517 0.000 0.854 354 L CB 1.038 42.924 42.059 -0.288 0.000 1.226 354 L HN 0.605 nan 8.230 nan 0.000 0.429 355 E N 1.475 121.449 120.200 -0.377 0.000 2.338 355 E HA 0.233 4.583 4.350 -0.000 0.000 0.272 355 E C 0.776 177.373 176.600 -0.006 0.000 1.029 355 E CA 0.039 56.374 56.400 -0.107 0.000 0.872 355 E CB 1.799 31.622 29.700 0.205 0.000 1.015 355 E HN 0.717 nan 8.360 nan 0.000 0.417 356 A N 5.139 127.967 122.820 0.013 0.000 1.933 356 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 356 A C 1.733 179.412 177.584 0.158 0.000 1.175 356 A CA 1.217 53.293 52.037 0.065 0.000 0.628 356 A CB -0.304 18.709 19.000 0.022 0.000 0.814 356 A HN 0.772 nan 8.150 nan 0.000 0.444 357 E N -0.120 120.161 120.200 0.135 0.000 2.114 357 E HA -0.222 4.128 4.350 -0.000 0.000 0.199 357 E C 1.993 178.692 176.600 0.165 0.000 1.008 357 E CA 1.501 57.990 56.400 0.148 0.000 0.810 357 E CB -0.356 29.410 29.700 0.109 0.000 0.739 357 E HN 0.704 nan 8.360 nan 0.000 0.456 358 L N -0.668 120.646 121.223 0.152 0.000 2.068 358 L HA -0.084 4.256 4.340 -0.000 0.000 0.204 358 L C 2.430 179.389 176.870 0.148 0.000 1.076 358 L CA 0.638 55.555 54.840 0.129 0.000 0.753 358 L CB -0.410 41.718 42.059 0.115 0.000 0.910 358 L HN 0.021 nan 8.230 nan 0.000 0.439 359 F N -0.716 119.266 119.950 0.053 0.000 2.202 359 F HA -0.300 4.227 4.527 -0.000 0.000 0.301 359 F C 2.380 178.248 175.800 0.113 0.000 1.082 359 F CA 1.445 59.479 58.000 0.057 0.000 1.313 359 F CB -0.101 38.921 39.000 0.036 0.000 1.024 359 F HN 0.021 nan 8.300 nan 0.000 0.495 360 Y N 0.587 120.976 120.300 0.149 0.000 2.475 360 Y HA 0.055 4.605 4.550 -0.000 0.000 0.289 360 Y C 2.014 177.916 175.900 0.003 0.000 1.121 360 Y CA 1.154 59.297 58.100 0.072 0.000 1.257 360 Y CB -0.318 38.200 38.460 0.097 0.000 1.026 360 Y HN -0.086 nan 8.280 nan 0.000 0.555 361 K N -0.789 119.610 120.400 -0.002 0.000 2.432 361 K HA 0.128 4.447 4.320 -0.000 0.000 0.196 361 K C 1.224 177.753 176.600 -0.118 0.000 1.038 361 K CA 0.764 57.006 56.287 -0.075 0.000 0.986 361 K CB -0.047 32.456 32.500 0.005 0.000 0.782 361 K HN 0.456 nan 8.250 nan 0.000 0.485 362 G N 1.409 110.120 108.800 -0.149 0.000 2.176 362 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.232 362 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.232 362 G C 0.095 174.921 174.900 -0.123 0.000 0.986 362 G CA -0.390 44.609 45.100 -0.168 0.000 0.643 362 G HN 0.183 nan 8.290 nan 0.000 0.522 363 I N 1.979 122.505 120.570 -0.073 0.000 2.352 363 I HA 0.541 4.711 4.170 -0.000 0.000 0.290 363 I C 0.719 176.820 176.117 -0.027 0.000 1.036 363 I CA -0.305 60.981 61.300 -0.023 0.000 1.336 363 I CB 0.655 38.672 38.000 0.028 0.000 1.407 363 I HN 0.328 nan 8.210 nan 0.000 0.497 364 R N 6.145 126.630 120.500 -0.025 0.000 2.563 364 R HA 0.411 4.751 4.340 -0.000 0.000 0.262 364 R C -3.144 173.161 176.300 0.007 0.000 1.128 364 R CA -1.804 54.290 56.100 -0.011 0.000 0.969 364 R CB 0.744 30.966 30.300 -0.130 0.000 1.251 364 R HN 0.156 nan 8.270 nan 0.000 0.442 365 P HA -0.024 nan 4.420 nan 0.000 0.262 365 P C -0.254 177.095 177.300 0.082 0.000 1.182 365 P CA 0.005 63.147 63.100 0.069 0.000 0.761 365 P CB 0.726 32.452 31.700 0.044 0.000 0.795 366 A N 5.358 128.256 122.820 0.130 0.000 2.990 366 A HA 0.285 4.605 4.320 -0.000 0.000 0.282 366 A C 0.480 178.105 177.584 0.069 0.000 1.688 366 A CA -0.438 51.672 52.037 0.121 0.000 1.391 366 A CB -1.202 17.928 19.000 0.216 0.000 1.112 366 A HN 0.483 nan 8.150 nan 0.000 0.588 367 I N 2.151 122.767 120.570 0.077 0.000 2.304 367 I HA 0.128 4.298 4.170 -0.000 0.000 0.291 367 I C 0.388 176.583 176.117 0.130 0.000 1.018 367 I CA -0.605 60.749 61.300 0.089 0.000 1.260 367 I CB 1.027 39.078 38.000 0.085 0.000 1.390 367 I HN 0.502 nan 8.210 nan 0.000 0.475 368 N N 5.778 124.599 118.700 0.201 0.000 2.452 368 N HA 0.063 4.803 4.740 -0.000 0.000 0.266 368 N C 0.699 176.312 175.510 0.171 0.000 1.175 368 N CA 0.084 53.266 53.050 0.220 0.000 0.945 368 N CB 1.611 40.315 38.487 0.362 0.000 1.063 368 N HN 0.400 nan 8.380 nan 0.000 0.472 369 V N 4.248 124.233 119.914 0.118 0.000 2.255 369 V HA -0.087 4.032 4.120 -0.000 0.000 0.243 369 V C 2.364 178.503 176.094 0.076 0.000 1.038 369 V CA 2.091 64.450 62.300 0.099 0.000 1.008 369 V CB -1.077 30.806 31.823 0.100 0.000 0.645 369 V HN 0.806 nan 8.190 nan 0.000 0.449 370 G N -0.607 108.224 108.800 0.051 0.000 2.479 370 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.220 370 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.220 370 G C 1.509 176.412 174.900 0.004 0.000 1.115 370 G CA 0.722 45.836 45.100 0.024 0.000 0.757 370 G HN 0.468 nan 8.290 nan 0.000 0.560 371 L N 0.437 121.662 121.223 0.003 0.000 2.529 371 L HA 0.245 4.585 4.340 -0.000 0.000 0.223 371 L C 0.985 177.875 176.870 0.034 0.000 1.113 371 L CA -0.121 54.685 54.840 -0.056 0.000 0.861 371 L CB 0.353 42.271 42.059 -0.235 0.000 1.012 371 L HN 0.022 nan 8.230 nan 0.000 0.461 372 S N -0.969 114.787 115.700 0.095 0.000 2.687 372 S HA 0.651 5.121 4.470 -0.000 0.000 0.283 372 S C -0.663 173.977 174.600 0.066 0.000 1.170 372 S CA -0.450 57.813 58.200 0.104 0.000 1.008 372 S CB 2.557 65.829 63.200 0.121 0.000 1.026 372 S HN -0.072 nan 8.310 nan 0.000 0.541 373 V N 1.090 121.040 119.914 0.060 0.000 2.901 373 V HA 0.445 4.565 4.120 -0.000 0.000 0.257 373 V C -1.452 174.667 176.094 0.042 0.000 1.709 373 V CA -0.459 61.868 62.300 0.046 0.000 0.926 373 V CB 1.844 33.688 31.823 0.036 0.000 1.291 373 V HN 0.793 nan 8.190 nan 0.000 0.460 374 S N 5.914 121.636 115.700 0.037 0.000 2.566 374 S HA 0.570 5.040 4.470 -0.000 0.000 0.324 374 S C 0.829 175.445 174.600 0.027 0.000 1.081 374 S CA -0.494 57.724 58.200 0.030 0.000 1.105 374 S CB 1.259 64.475 63.200 0.027 0.000 0.981 374 S HN 0.800 nan 8.310 nan 0.000 0.464 375 R N 2.328 122.844 120.500 0.026 0.000 2.078 375 R HA -0.068 4.271 4.340 -0.000 0.000 0.224 375 R C 2.184 178.497 176.300 0.022 0.000 1.149 375 R CA 1.777 57.892 56.100 0.024 0.000 0.916 375 R CB -1.109 29.207 30.300 0.026 0.000 0.821 375 R HN 0.656 nan 8.270 nan 0.000 0.434 376 V N -0.907 119.019 119.914 0.019 0.000 2.427 376 V HA 0.024 4.144 4.120 -0.000 0.000 0.248 376 V C 2.253 178.355 176.094 0.014 0.000 1.051 376 V CA 1.870 64.181 62.300 0.017 0.000 1.048 376 V CB -1.576 30.256 31.823 0.015 0.000 0.666 376 V HN 0.479 nan 8.190 nan 0.000 0.456 377 G N -0.119 108.687 108.800 0.010 0.000 2.568 377 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.220 377 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.220 377 G C 1.701 176.605 174.900 0.008 0.000 1.104 377 G CA 1.338 46.440 45.100 0.003 0.000 0.738 377 G HN 0.605 nan 8.290 nan 0.000 0.574 378 S N 0.486 116.196 115.700 0.016 0.000 2.368 378 S HA 0.051 4.521 4.470 -0.000 0.000 0.225 378 S C 2.566 177.179 174.600 0.020 0.000 1.030 378 S CA 1.472 59.684 58.200 0.019 0.000 0.999 378 S CB -0.321 62.893 63.200 0.022 0.000 0.844 378 S HN 0.564 nan 8.310 nan 0.000 0.459 379 A N -0.134 122.701 122.820 0.024 0.000 2.235 379 A HA 0.561 4.881 4.320 -0.000 0.000 0.208 379 A C 1.868 179.479 177.584 0.046 0.000 1.172 379 A CA 1.043 53.101 52.037 0.034 0.000 0.786 379 A CB -0.502 18.522 19.000 0.040 0.000 0.804 379 A HN 0.638 nan 8.150 nan 0.000 0.479 380 A N -1.299 121.533 122.820 0.019 0.000 2.252 380 A HA 0.232 4.552 4.320 -0.000 0.000 0.213 380 A C 1.052 178.621 177.584 -0.026 0.000 1.188 380 A CA -0.014 52.016 52.037 -0.012 0.000 0.863 380 A CB -0.129 18.842 19.000 -0.048 0.000 0.893 380 A HN 0.526 nan 8.150 nan 0.000 0.495 381 Q N 0.989 120.785 119.800 -0.006 0.000 2.304 381 Q HA 0.365 4.704 4.340 -0.000 0.000 0.260 381 Q C -0.598 175.402 176.000 0.000 0.000 0.965 381 Q CA -0.311 55.490 55.803 -0.004 0.000 0.898 381 Q CB 0.779 29.523 28.738 0.011 0.000 1.196 381 Q HN 0.192 nan 8.270 nan 0.000 0.402 382 V N 5.304 125.215 119.914 -0.005 0.000 2.726 382 V HA -0.198 3.922 4.120 -0.000 0.000 0.304 382 V C 1.123 177.226 176.094 0.014 0.000 1.115 382 V CA 0.715 63.016 62.300 0.002 0.000 1.264 382 V CB 0.238 32.066 31.823 0.008 0.000 0.867 382 V HN 0.877 nan 8.190 nan 0.000 0.498 383 K N 4.083 124.492 120.400 0.015 0.000 2.211 383 K HA -0.149 4.171 4.320 -0.000 0.000 0.204 383 K C 2.000 178.614 176.600 0.024 0.000 1.047 383 K CA 1.563 57.861 56.287 0.019 0.000 0.935 383 K CB -0.424 32.085 32.500 0.015 0.000 0.728 383 K HN 0.839 nan 8.250 nan 0.000 0.452 384 A N 0.606 123.440 122.820 0.025 0.000 1.832 384 A HA -0.122 4.198 4.320 -0.000 0.000 0.214 384 A C 2.122 179.732 177.584 0.044 0.000 1.200 384 A CA 1.277 53.332 52.037 0.030 0.000 0.610 384 A CB -0.809 18.206 19.000 0.025 0.000 0.842 384 A HN 0.194 nan 8.150 nan 0.000 0.444 385 L N -0.555 120.694 121.223 0.043 0.000 2.021 385 L HA -0.280 4.060 4.340 -0.000 0.000 0.215 385 L C 2.702 179.602 176.870 0.051 0.000 1.074 385 L CA 2.184 57.054 54.840 0.051 0.000 0.760 385 L CB -0.379 41.707 42.059 0.045 0.000 0.889 385 L HN 0.478 nan 8.230 nan 0.000 0.433 386 K N -0.369 120.055 120.400 0.041 0.000 2.103 386 K HA -0.240 4.080 4.320 -0.000 0.000 0.207 386 K C 2.119 178.744 176.600 0.042 0.000 1.048 386 K CA 1.573 57.883 56.287 0.038 0.000 0.930 386 K CB 0.025 32.543 32.500 0.031 0.000 0.716 386 K HN 0.381 nan 8.250 nan 0.000 0.444 387 Q N -0.539 119.289 119.800 0.047 0.000 2.245 387 Q HA -0.065 4.275 4.340 -0.000 0.000 0.201 387 Q C 1.956 178.004 176.000 0.080 0.000 0.955 387 Q CA 0.917 56.753 55.803 0.055 0.000 0.870 387 Q CB 0.383 29.153 28.738 0.054 0.000 0.945 387 Q HN 0.124 nan 8.270 nan 0.000 0.461 388 V N 0.456 120.427 119.914 0.095 0.000 2.379 388 V HA -0.029 4.090 4.120 -0.000 0.000 0.243 388 V C 1.159 177.303 176.094 0.083 0.000 1.035 388 V CA 1.284 63.668 62.300 0.140 0.000 1.035 388 V CB -0.203 31.715 31.823 0.159 0.000 0.673 388 V HN 0.223 nan 8.190 nan 0.000 0.457 389 A N 1.177 124.034 122.820 0.061 0.000 3.126 389 A HA 0.551 4.871 4.320 -0.000 0.000 0.268 389 A C 0.836 178.435 177.584 0.025 0.000 1.605 389 A CA 0.242 52.301 52.037 0.038 0.000 1.305 389 A CB -0.916 18.113 19.000 0.049 0.000 1.160 389 A HN 0.410 nan 8.150 nan 0.000 0.609 390 G N 0.128 108.931 108.800 0.004 0.000 2.396 390 G HA2 0.421 4.381 3.960 -0.000 0.000 0.292 390 G HA3 0.421 4.381 3.960 -0.000 0.000 0.292 390 G C 0.647 175.544 174.900 -0.004 0.000 1.106 390 G CA 0.476 45.576 45.100 0.001 0.000 1.055 390 G HN 1.102 nan 8.290 nan 0.000 0.424 391 S N 0.669 116.384 115.700 0.026 0.000 3.490 391 S HA -0.223 4.247 4.470 -0.000 0.000 0.301 391 S C 1.472 176.125 174.600 0.088 0.000 1.233 391 S CA 0.701 58.933 58.200 0.054 0.000 0.914 391 S CB -1.458 61.774 63.200 0.052 0.000 1.047 391 S HN 0.745 nan 8.310 nan 0.000 0.602 392 L N 1.434 122.698 121.223 0.069 0.000 2.141 392 L HA 0.085 4.425 4.340 -0.000 0.000 0.209 392 L C 2.079 179.040 176.870 0.151 0.000 1.094 392 L CA 2.445 57.349 54.840 0.106 0.000 0.763 392 L CB -0.421 41.675 42.059 0.062 0.000 0.908 392 L HN 0.392 nan 8.230 nan 0.000 0.437 393 K N -0.585 119.882 120.400 0.112 0.000 2.001 393 K HA -0.204 4.116 4.320 -0.000 0.000 0.214 393 K C 2.029 178.697 176.600 0.114 0.000 1.050 393 K CA 2.248 58.596 56.287 0.102 0.000 0.934 393 K CB -0.301 32.244 32.500 0.076 0.000 0.718 393 K HN 0.380 nan 8.250 nan 0.000 0.443 394 L N -0.346 120.949 121.223 0.119 0.000 2.217 394 L HA -0.097 4.243 4.340 -0.000 0.000 0.211 394 L C 2.257 179.211 176.870 0.140 0.000 1.107 394 L CA 0.561 55.468 54.840 0.111 0.000 0.783 394 L CB -0.277 41.842 42.059 0.100 0.000 0.919 394 L HN 0.198 nan 8.230 nan 0.000 0.442 395 F N 0.342 120.324 119.950 0.052 0.000 2.128 395 F HA -0.145 4.382 4.527 -0.000 0.000 0.295 395 F C 2.185 178.052 175.800 0.112 0.000 1.100 395 F CA 1.320 59.359 58.000 0.065 0.000 1.260 395 F CB -0.032 38.990 39.000 0.036 0.000 1.009 395 F HN -0.163 nan 8.300 nan 0.000 0.476 396 L N -0.318 121.061 121.223 0.260 0.000 2.265 396 L HA -0.173 4.167 4.340 -0.000 0.000 0.215 396 L C 2.420 179.375 176.870 0.142 0.000 1.117 396 L CA 1.001 55.983 54.840 0.236 0.000 0.782 396 L CB -0.597 41.594 42.059 0.221 0.000 0.914 396 L HN 0.260 nan 8.230 nan 0.000 0.441 397 A N -1.314 121.549 122.820 0.071 0.000 2.072 397 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 397 A C 2.102 179.664 177.584 -0.037 0.000 1.156 397 A CA 0.792 52.841 52.037 0.021 0.000 0.701 397 A CB -0.061 18.958 19.000 0.030 0.000 0.816 397 A HN 0.455 nan 8.150 nan 0.000 0.458 398 Q N -2.218 117.530 119.800 -0.086 0.000 2.324 398 Q HA -0.000 4.339 4.340 -0.000 0.000 0.207 398 Q C 1.797 177.680 176.000 -0.195 0.000 0.928 398 Q CA 0.889 56.607 55.803 -0.141 0.000 0.890 398 Q CB -0.210 28.425 28.738 -0.172 0.000 1.001 398 Q HN 0.824 nan 8.270 nan 0.000 0.517 399 Y N 1.402 121.461 120.300 -0.402 0.000 2.256 399 Y HA -0.238 4.312 4.550 -0.000 0.000 0.288 399 Y C 2.020 177.835 175.900 -0.143 0.000 1.155 399 Y CA 1.638 59.555 58.100 -0.305 0.000 1.203 399 Y CB -0.036 38.265 38.460 -0.266 0.000 0.980 399 Y HN -0.133 nan 8.280 nan 0.000 0.530 400 R N 0.326 120.539 120.500 -0.479 0.000 2.153 400 R HA -0.062 4.278 4.340 -0.000 0.000 0.218 400 R C 2.113 178.214 176.300 -0.331 0.000 1.072 400 R CA 1.318 57.117 56.100 -0.502 0.000 0.990 400 R CB -0.079 30.053 30.300 -0.280 0.000 0.889 400 R HN 0.521 nan 8.270 nan 0.000 0.452 401 E N -0.607 119.467 120.200 -0.209 0.000 2.107 401 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 401 E C 1.706 178.248 176.600 -0.097 0.000 0.982 401 E CA 1.314 57.636 56.400 -0.131 0.000 0.809 401 E CB 0.257 29.992 29.700 0.060 0.000 0.756 401 E HN 0.155 nan 8.360 nan 0.000 0.459 402 V N 1.090 120.964 119.914 -0.067 0.000 2.719 402 V HA -0.103 4.017 4.120 -0.000 0.000 0.252 402 V C 2.121 178.159 176.094 -0.093 0.000 1.065 402 V CA 1.373 63.671 62.300 -0.003 0.000 1.086 402 V CB -0.368 31.464 31.823 0.014 0.000 0.700 402 V HN 0.231 nan 8.190 nan 0.000 0.467 403 A N -0.387 122.282 122.820 -0.253 0.000 2.239 403 A HA 0.288 4.608 4.320 -0.000 0.000 0.209 403 A C 2.121 179.564 177.584 -0.235 0.000 1.171 403 A CA 1.477 53.351 52.037 -0.273 0.000 0.768 403 A CB -0.255 18.443 19.000 -0.503 0.000 0.790 403 A HN 0.533 nan 8.150 nan 0.000 0.478 404 A N -1.036 121.601 122.820 -0.305 0.000 2.010 404 A HA 0.415 4.735 4.320 -0.000 0.000 0.210 404 A C 1.452 178.867 177.584 -0.282 0.000 1.479 404 A CA 0.516 52.323 52.037 -0.382 0.000 0.748 404 A CB -0.493 18.110 19.000 -0.662 0.000 1.125 404 A HN 0.331 nan 8.150 nan 0.000 0.522 405 F N 0.893 120.811 119.950 -0.052 0.000 2.451 405 F HA 0.229 4.755 4.527 -0.000 0.000 0.299 405 F C 1.507 177.291 175.800 -0.027 0.000 1.101 405 F CA 0.555 58.533 58.000 -0.036 0.000 1.436 405 F CB -0.148 38.830 39.000 -0.036 0.000 1.074 405 F HN 0.173 nan 8.300 nan 0.000 0.553 406 A N 0.625 123.510 122.820 0.110 0.000 2.801 406 A HA 0.568 4.888 4.320 -0.000 0.000 0.344 406 A C -0.019 177.585 177.584 0.032 0.000 1.322 406 A CA -0.288 51.791 52.037 0.070 0.000 0.913 406 A CB -0.066 18.973 19.000 0.065 0.000 1.140 406 A HN 0.297 nan 8.150 nan 0.000 0.487 412 L N 2.738 123.972 121.223 0.017 0.000 2.891 412 L HA 0.024 4.364 4.340 -0.000 0.000 0.290 412 L C 0.054 176.934 176.870 0.018 0.000 1.093 412 L CA 0.642 55.493 54.840 0.018 0.000 1.108 412 L CB -0.276 41.791 42.059 0.014 0.000 1.488 412 L HN 0.405 nan 8.230 nan 0.000 0.447 413 D N 2.783 123.197 120.400 0.022 0.000 2.352 413 D HA 0.230 4.870 4.640 -0.000 0.000 0.245 413 D C 0.805 177.119 176.300 0.022 0.000 1.224 413 D CA 0.010 54.023 54.000 0.022 0.000 0.879 413 D CB 1.304 42.120 40.800 0.027 0.000 1.057 413 D HN 0.495 nan 8.370 nan 0.000 0.491 414 A N 2.899 125.729 122.820 0.017 0.000 2.265 414 A HA 0.078 4.397 4.320 -0.000 0.000 0.213 414 A C 1.548 179.142 177.584 0.017 0.000 1.255 414 A CA 0.192 52.239 52.037 0.016 0.000 0.862 414 A CB 0.019 19.026 19.000 0.011 0.000 0.852 414 A HN 0.400 nan 8.150 nan 0.000 0.484 415 S N -1.646 114.067 115.700 0.021 0.000 2.728 415 S HA 0.029 4.499 4.470 -0.000 0.000 0.257 415 S C 1.293 175.913 174.600 0.034 0.000 1.060 415 S CA 0.853 59.067 58.200 0.023 0.000 1.126 415 S CB 0.171 63.382 63.200 0.019 0.000 1.099 415 S HN 0.687 nan 8.310 nan 0.000 0.617 416 T N -1.798 112.780 114.554 0.040 0.000 3.091 416 T HA 0.382 4.732 4.350 -0.000 0.000 0.277 416 T C 1.116 175.855 174.700 0.065 0.000 0.996 416 T CA -0.288 61.845 62.100 0.055 0.000 0.897 416 T CB 0.262 69.160 68.868 0.050 0.000 1.109 416 T HN 0.135 nan 8.240 nan 0.000 0.534 417 K N 1.005 121.437 120.400 0.053 0.000 2.305 417 K HA 0.113 4.433 4.320 -0.000 0.000 0.199 417 K C 2.237 178.871 176.600 0.056 0.000 1.047 417 K CA 0.312 56.632 56.287 0.055 0.000 0.976 417 K CB 0.033 32.556 32.500 0.038 0.000 0.765 417 K HN 0.301 nan 8.250 nan 0.000 0.474 418 Q N 0.291 120.121 119.800 0.051 0.000 2.297 418 Q HA -0.100 4.240 4.340 -0.000 0.000 0.204 418 Q C 1.489 177.532 176.000 0.073 0.000 0.962 418 Q CA 1.685 57.512 55.803 0.041 0.000 0.879 418 Q CB 0.181 28.933 28.738 0.023 0.000 0.947 418 Q HN 0.455 nan 8.270 nan 0.000 0.462 419 T N -1.656 112.976 114.554 0.131 0.000 3.023 419 T HA -0.079 4.270 4.350 -0.000 0.000 0.266 419 T C 1.720 176.535 174.700 0.191 0.000 1.093 419 T CA 0.395 62.642 62.100 0.245 0.000 1.129 419 T CB -0.086 68.955 68.868 0.289 0.000 0.899 419 T HN 0.149 nan 8.240 nan 0.000 0.491 420 L N 1.268 122.581 121.223 0.150 0.000 2.156 420 L HA 0.220 4.560 4.340 -0.000 0.000 0.208 420 L C 2.481 179.400 176.870 0.083 0.000 1.095 420 L CA 1.090 56.039 54.840 0.182 0.000 0.770 420 L CB -0.631 41.515 42.059 0.145 0.000 0.914 420 L HN 0.153 nan 8.230 nan 0.000 0.439 421 V N -0.421 119.514 119.914 0.035 0.000 2.323 421 V HA -0.184 3.936 4.120 -0.000 0.000 0.244 421 V C 2.770 178.821 176.094 -0.071 0.000 1.041 421 V CA 1.301 63.592 62.300 -0.015 0.000 1.025 421 V CB -0.645 31.170 31.823 -0.014 0.000 0.656 421 V HN 0.385 nan 8.190 nan 0.000 0.451 422 R N 0.478 120.945 120.500 -0.055 0.000 2.115 422 R HA -0.207 4.133 4.340 -0.000 0.000 0.239 422 R C 2.416 178.604 176.300 -0.186 0.000 1.133 422 R CA 2.071 58.119 56.100 -0.087 0.000 0.935 422 R CB -1.423 28.872 30.300 -0.009 0.000 0.853 422 R HN 0.580 nan 8.270 nan 0.000 0.433 423 G N 0.749 109.315 108.800 -0.390 0.000 2.421 423 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.216 423 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.216 423 G C 1.341 175.765 174.900 -0.794 0.000 1.171 423 G CA 0.586 45.044 45.100 -1.069 0.000 0.775 423 G HN 0.398 nan 8.290 nan 0.000 0.543 424 E N 0.035 119.952 120.200 -0.471 0.000 2.097 424 E HA -0.170 4.180 4.350 -0.000 0.000 0.196 424 E C 2.845 179.393 176.600 -0.087 0.000 1.000 424 E CA 0.820 57.156 56.400 -0.107 0.000 0.804 424 E CB 0.009 29.707 29.700 -0.004 0.000 0.740 424 E HN 0.220 nan 8.360 nan 0.000 0.454 425 R N 0.253 120.683 120.500 -0.117 0.000 2.055 425 R HA -0.030 4.309 4.340 -0.000 0.000 0.226 425 R C 2.533 178.793 176.300 -0.067 0.000 1.135 425 R CA 0.671 56.720 56.100 -0.085 0.000 0.959 425 R CB -0.960 29.278 30.300 -0.103 0.000 0.854 425 R HN 0.215 nan 8.270 nan 0.000 0.431 426 L N 0.818 121.983 121.223 -0.095 0.000 2.083 426 L HA -0.147 4.193 4.340 -0.000 0.000 0.209 426 L C 2.335 179.200 176.870 -0.008 0.000 1.083 426 L CA 1.514 56.325 54.840 -0.049 0.000 0.752 426 L CB -0.640 41.385 42.059 -0.058 0.000 0.899 426 L HN 0.208 nan 8.230 nan 0.000 0.433 427 T N -1.509 113.033 114.554 -0.020 0.000 2.746 427 T HA -0.208 4.142 4.350 -0.000 0.000 0.267 427 T C 1.901 176.628 174.700 0.045 0.000 1.039 427 T CA 0.988 63.117 62.100 0.048 0.000 1.142 427 T CB -0.139 68.793 68.868 0.107 0.000 0.866 427 T HN 0.272 nan 8.240 nan 0.000 0.444 428 Q N 0.305 120.122 119.800 0.027 0.000 2.170 428 Q HA 0.009 4.349 4.340 -0.000 0.000 0.203 428 Q C 2.364 178.394 176.000 0.049 0.000 0.976 428 Q CA 0.850 56.673 55.803 0.033 0.000 0.858 428 Q CB -0.535 28.215 28.738 0.020 0.000 0.907 428 Q HN 0.376 nan 8.270 nan 0.000 0.433 429 L N 0.333 121.587 121.223 0.051 0.000 2.093 429 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 429 L C 1.966 178.884 176.870 0.080 0.000 1.085 429 L CA 1.368 56.257 54.840 0.083 0.000 0.755 429 L CB -0.331 41.777 42.059 0.082 0.000 0.904 429 L HN 0.143 nan 8.230 nan 0.000 0.435 430 L N -1.016 120.246 121.223 0.065 0.000 2.492 430 L HA -0.028 4.311 4.340 -0.000 0.000 0.223 430 L C 0.976 177.879 176.870 0.055 0.000 1.132 430 L CA 0.034 54.912 54.840 0.063 0.000 0.850 430 L CB -0.573 41.526 42.059 0.066 0.000 0.966 430 L HN 0.083 nan 8.230 nan 0.000 0.454 431 K N 1.836 122.266 120.400 0.050 0.000 2.451 431 K HA 0.050 4.370 4.320 -0.000 0.000 0.280 431 K C -0.076 176.545 176.600 0.035 0.000 1.020 431 K CA 0.573 56.882 56.287 0.036 0.000 1.008 431 K CB 0.524 33.042 32.500 0.030 0.000 0.917 431 K HN 0.090 nan 8.250 nan 0.000 0.478 432 Q N 2.842 122.655 119.800 0.021 0.000 2.315 432 Q HA 0.182 4.522 4.340 -0.000 0.000 0.273 432 Q C -1.161 174.840 176.000 0.002 0.000 1.053 432 Q CA -0.918 54.897 55.803 0.018 0.000 0.817 432 Q CB 1.350 30.099 28.738 0.019 0.000 1.326 432 Q HN 0.495 nan 8.270 nan 0.000 0.423 433 N N 1.975 120.681 118.700 0.010 0.000 2.340 433 N HA 0.008 4.747 4.740 -0.000 0.000 0.236 433 N C -0.577 174.925 175.510 -0.013 0.000 1.296 433 N CA 0.057 53.112 53.050 0.008 0.000 0.896 433 N CB 0.454 38.962 38.487 0.036 0.000 1.127 433 N HN 0.542 nan 8.380 nan 0.000 0.442 434 Q N -0.096 119.683 119.800 -0.035 0.000 2.306 434 Q HA 0.081 4.421 4.340 -0.000 0.000 0.241 434 Q C -0.444 175.513 176.000 -0.071 0.000 0.948 434 Q CA -0.322 55.373 55.803 -0.179 0.000 0.886 434 Q CB 0.295 28.842 28.738 -0.318 0.000 1.227 434 Q HN 0.589 nan 8.270 nan 0.000 0.457 435 Y N -0.546 119.746 120.300 -0.013 0.000 4.079 435 Y HA -0.256 4.294 4.550 -0.000 0.000 0.223 435 Y C -0.117 175.792 175.900 0.016 0.000 1.155 435 Y CA 0.828 58.910 58.100 -0.029 0.000 1.805 435 Y CB -2.142 36.327 38.460 0.013 0.000 1.571 435 Y HN 0.326 nan 8.280 nan 0.000 0.654 436 S N 0.253 116.002 115.700 0.083 0.000 2.143 436 S HA 0.340 4.810 4.470 -0.000 0.000 0.188 436 S C -2.574 172.044 174.600 0.030 0.000 1.431 436 S CA -0.990 57.248 58.200 0.065 0.000 1.253 436 S CB 0.817 64.049 63.200 0.054 0.000 1.137 436 S HN 0.016 nan 8.310 nan 0.000 0.457 437 P HA 0.376 nan 4.420 nan 0.000 0.287 437 P C -0.819 176.482 177.300 0.001 0.000 1.281 437 P CA -0.401 62.705 63.100 0.010 0.000 0.781 437 P CB 0.640 32.344 31.700 0.007 0.000 0.903 438 L N 2.353 123.579 121.223 0.005 0.000 2.309 438 L HA 0.648 4.988 4.340 -0.000 0.000 0.282 438 L C 0.865 177.732 176.870 -0.004 0.000 1.036 438 L CA -1.022 53.814 54.840 -0.006 0.000 0.806 438 L CB 1.311 43.372 42.059 0.003 0.000 1.220 438 L HN 0.337 nan 8.230 nan 0.000 0.429 439 A N 1.774 124.576 122.820 -0.030 0.000 2.425 439 A HA 0.263 4.583 4.320 -0.000 0.000 0.242 439 A C 1.212 178.807 177.584 0.019 0.000 1.077 439 A CA -0.113 51.913 52.037 -0.019 0.000 0.781 439 A CB 0.189 19.146 19.000 -0.072 0.000 1.020 439 A HN 0.872 nan 8.150 nan 0.000 0.494 440 T N 0.689 115.282 114.554 0.066 0.000 2.881 440 T HA -0.134 4.216 4.350 -0.000 0.000 0.270 440 T C 1.633 176.352 174.700 0.031 0.000 1.068 440 T CA 1.565 63.703 62.100 0.064 0.000 1.131 440 T CB -0.149 68.776 68.868 0.095 0.000 0.871 440 T HN 0.878 nan 8.240 nan 0.000 0.479 441 E N 1.640 121.848 120.200 0.013 0.000 2.347 441 E HA -0.143 4.207 4.350 -0.000 0.000 0.196 441 E C 1.287 177.856 176.600 -0.051 0.000 1.008 441 E CA 1.042 57.430 56.400 -0.019 0.000 0.852 441 E CB -0.083 29.600 29.700 -0.028 0.000 0.783 441 E HN 0.573 nan 8.360 nan 0.000 0.505 442 E N 0.223 120.396 120.200 -0.045 0.000 2.389 442 E HA 0.030 4.379 4.350 -0.000 0.000 0.199 442 E C 2.030 178.611 176.600 -0.031 0.000 0.978 442 E CA 0.020 56.378 56.400 -0.069 0.000 0.912 442 E CB 0.291 29.948 29.700 -0.071 0.000 0.907 442 E HN 0.277 nan 8.360 nan 0.000 0.494 443 Q N 0.498 120.301 119.800 0.006 0.000 2.016 443 Q HA -0.131 4.208 4.340 -0.000 0.000 0.200 443 Q C 2.528 178.566 176.000 0.064 0.000 0.978 443 Q CA 1.925 57.753 55.803 0.041 0.000 0.833 443 Q CB -0.156 28.611 28.738 0.048 0.000 0.895 443 Q HN 0.264 nan 8.270 nan 0.000 0.427 444 V N -1.325 118.621 119.914 0.052 0.000 2.453 444 V HA -0.159 3.960 4.120 -0.000 0.000 0.252 444 V C -0.965 175.198 176.094 0.116 0.000 1.068 444 V CA 1.293 63.639 62.300 0.078 0.000 1.070 444 V CB -2.152 29.699 31.823 0.046 0.000 0.664 444 V HN 0.173 nan 8.190 nan 0.000 0.461 445 P HA -0.068 nan 4.420 nan 0.000 0.215 445 P C 2.113 179.637 177.300 0.374 0.000 1.157 445 P CA 1.532 64.711 63.100 0.131 0.000 0.863 445 P CB -0.132 31.466 31.700 -0.170 0.000 0.787 446 L N -1.327 120.061 121.223 0.274 0.000 1.989 446 L HA -0.184 4.156 4.340 -0.000 0.000 0.211 446 L C 2.461 179.509 176.870 0.297 0.000 1.071 446 L CA 1.603 56.644 54.840 0.334 0.000 0.749 446 L CB -1.057 41.133 42.059 0.219 0.000 0.890 446 L HN -0.097 nan 8.230 nan 0.000 0.431 447 I N -1.663 119.039 120.570 0.220 0.000 2.394 447 I HA -0.304 3.866 4.170 -0.000 0.000 0.251 447 I C 2.526 178.746 176.117 0.173 0.000 1.136 447 I CA 1.160 62.558 61.300 0.162 0.000 1.425 447 I CB -0.352 37.720 38.000 0.120 0.000 1.079 447 I HN 0.148 nan 8.210 nan 0.000 0.425 448 Y N 1.741 122.117 120.300 0.126 0.000 2.165 448 Y HA -0.318 4.232 4.550 -0.000 0.000 0.286 448 Y C 2.548 178.543 175.900 0.158 0.000 1.155 448 Y CA 1.545 59.721 58.100 0.126 0.000 1.164 448 Y CB -0.241 38.314 38.460 0.158 0.000 0.978 448 Y HN 0.130 nan 8.280 nan 0.000 0.513 449 A N -0.041 123.009 122.820 0.383 0.000 1.902 449 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 449 A C 2.454 180.090 177.584 0.088 0.000 1.181 449 A CA 1.828 54.071 52.037 0.342 0.000 0.623 449 A CB -1.671 17.533 19.000 0.341 0.000 0.818 449 A HN 0.588 nan 8.150 nan 0.000 0.443 450 G N -0.628 108.197 108.800 0.043 0.000 2.434 450 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.214 450 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.214 450 G C 1.529 176.332 174.900 -0.161 0.000 1.202 450 G CA 1.164 46.230 45.100 -0.055 0.000 0.788 450 G HN 0.297 nan 8.290 nan 0.000 0.539 451 V N 1.945 121.753 119.914 -0.177 0.000 2.282 451 V HA -0.209 3.910 4.120 -0.000 0.000 0.249 451 V C 2.131 178.016 176.094 -0.349 0.000 1.057 451 V CA 1.878 64.022 62.300 -0.259 0.000 1.032 451 V CB -0.423 31.269 31.823 -0.218 0.000 0.645 451 V HN 0.400 nan 8.190 nan 0.000 0.447 452 N N 0.108 118.534 118.700 -0.456 0.000 2.434 452 N HA 0.084 4.824 4.740 -0.000 0.000 0.196 452 N C 1.378 176.542 175.510 -0.576 0.000 1.183 452 N CA 0.944 53.652 53.050 -0.571 0.000 0.849 452 N CB 0.656 38.659 38.487 -0.807 0.000 0.992 452 N HN 0.640 nan 8.380 nan 0.000 0.460 453 G N 0.785 109.337 108.800 -0.412 0.000 2.176 453 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.252 453 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.252 453 G C 0.485 175.253 174.900 -0.221 0.000 1.024 453 G CA 0.386 45.319 45.100 -0.279 0.000 0.755 453 G HN 0.579 nan 8.290 nan 0.000 0.507 454 H N -0.949 118.047 119.070 -0.123 0.000 2.502 454 H HA 0.270 4.826 4.556 -0.000 0.000 0.283 454 H C 2.394 177.627 175.328 -0.159 0.000 1.015 454 H CA 0.871 56.854 56.048 -0.109 0.000 1.298 454 H CB 0.227 29.948 29.762 -0.069 0.000 1.411 454 H HN 0.442 nan 8.280 nan 0.000 0.556 455 L N 0.656 121.826 121.223 -0.088 0.000 2.653 455 L HA 0.048 4.388 4.340 -0.000 0.000 0.231 455 L C -0.028 176.755 176.870 -0.144 0.000 1.153 455 L CA -0.047 54.683 54.840 -0.184 0.000 0.933 455 L CB 0.361 42.285 42.059 -0.224 0.000 1.175 455 L HN 0.128 nan 8.230 nan 0.000 0.473 456 D N 0.794 121.129 120.400 -0.109 0.000 3.038 456 D HA 0.225 4.865 4.640 -0.000 0.000 0.243 456 D C 1.217 177.474 176.300 -0.072 0.000 1.245 456 D CA 0.352 54.298 54.000 -0.089 0.000 0.871 456 D CB 0.481 41.231 40.800 -0.084 0.000 1.089 456 D HN 0.274 nan 8.370 nan 0.000 0.464 457 G N -0.608 108.141 108.800 -0.084 0.000 4.225 457 G HA2 0.056 4.016 3.960 -0.000 0.000 0.177 457 G HA3 0.056 4.016 3.960 -0.000 0.000 0.177 457 G C 0.273 175.123 174.900 -0.084 0.000 0.949 457 G CA -0.340 44.717 45.100 -0.071 0.000 0.796 457 G HN 0.210 nan 8.290 nan 0.000 0.504 458 I N 1.582 122.083 120.570 -0.116 0.000 2.566 458 I HA 0.358 4.528 4.170 -0.000 0.000 0.303 458 I C 0.746 176.804 176.117 -0.097 0.000 0.983 458 I CA -0.756 60.468 61.300 -0.127 0.000 1.235 458 I CB 1.499 39.370 38.000 -0.216 0.000 1.386 458 I HN 0.018 nan 8.210 nan 0.000 0.494 459 E N 2.689 122.845 120.200 -0.072 0.000 2.816 459 E HA 0.068 4.417 4.350 -0.000 0.000 0.260 459 E C 0.514 177.089 176.600 -0.042 0.000 1.414 459 E CA -0.544 55.828 56.400 -0.047 0.000 1.074 459 E CB 0.512 30.195 29.700 -0.030 0.000 1.123 459 E HN 0.401 nan 8.360 nan 0.000 0.664 460 L N 0.231 121.440 121.223 -0.024 0.000 2.062 460 L HA -0.098 4.242 4.340 -0.000 0.000 0.202 460 L C 2.469 179.337 176.870 -0.003 0.000 1.079 460 L CA 1.700 56.532 54.840 -0.014 0.000 0.755 460 L CB -1.623 40.432 42.059 -0.006 0.000 0.913 460 L HN 0.538 nan 8.230 nan 0.000 0.445 461 S N -0.855 114.847 115.700 0.002 0.000 2.561 461 S HA -0.095 4.375 4.470 -0.000 0.000 0.225 461 S C 1.840 176.456 174.600 0.026 0.000 0.977 461 S CA 0.253 58.460 58.200 0.012 0.000 0.926 461 S CB -0.284 62.921 63.200 0.008 0.000 0.769 461 S HN 0.283 nan 8.310 nan 0.000 0.533 462 R N 0.274 120.788 120.500 0.023 0.000 2.310 462 R HA 0.223 4.563 4.340 -0.000 0.000 0.202 462 R C 1.030 177.382 176.300 0.087 0.000 0.933 462 R CA 0.060 56.188 56.100 0.046 0.000 1.054 462 R CB -0.110 30.205 30.300 0.025 0.000 0.985 462 R HN 0.395 nan 8.270 nan 0.000 0.489 463 I N -0.449 120.163 120.570 0.069 0.000 2.277 463 I HA -0.076 4.094 4.170 -0.000 0.000 0.243 463 I C 2.330 178.564 176.117 0.196 0.000 1.094 463 I CA 1.233 62.600 61.300 0.111 0.000 1.393 463 I CB -1.506 36.521 38.000 0.046 0.000 1.078 463 I HN 0.207 nan 8.210 nan 0.000 0.417 464 G N 0.658 109.534 108.800 0.128 0.000 2.469 464 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.220 464 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.220 464 G C 1.622 176.603 174.900 0.135 0.000 1.136 464 G CA 1.110 46.280 45.100 0.117 0.000 0.759 464 G HN 0.513 nan 8.290 nan 0.000 0.562 465 E N -0.440 119.846 120.200 0.144 0.000 2.028 465 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 465 E C 2.095 178.818 176.600 0.206 0.000 0.988 465 E CA 0.739 57.227 56.400 0.146 0.000 0.799 465 E CB -0.366 29.411 29.700 0.127 0.000 0.755 465 E HN 0.368 nan 8.360 nan 0.000 0.447 466 F N 2.058 122.082 119.950 0.123 0.000 2.147 466 F HA -0.302 4.224 4.527 -0.000 0.000 0.301 466 F C 2.132 178.059 175.800 0.211 0.000 1.084 466 F CA 2.324 60.440 58.000 0.192 0.000 1.268 466 F CB -0.229 38.861 39.000 0.148 0.000 1.009 466 F HN 0.152 nan 8.300 nan 0.000 0.486 467 E N 0.178 120.477 120.200 0.165 0.000 2.049 467 E HA -0.285 4.065 4.350 -0.000 0.000 0.198 467 E C 2.259 178.838 176.600 -0.034 0.000 1.007 467 E CA 2.250 58.686 56.400 0.061 0.000 0.809 467 E CB -0.293 29.485 29.700 0.129 0.000 0.749 467 E HN 0.573 nan 8.360 nan 0.000 0.450 468 S N -0.623 115.083 115.700 0.010 0.000 2.436 468 S HA -0.014 4.455 4.470 -0.000 0.000 0.228 468 S C 2.147 176.740 174.600 -0.012 0.000 1.014 468 S CA 0.936 59.133 58.200 -0.005 0.000 0.950 468 S CB 0.099 63.314 63.200 0.025 0.000 0.784 468 S HN 0.093 nan 8.310 nan 0.000 0.504 469 S N 1.154 116.871 115.700 0.028 0.000 2.387 469 S HA 0.141 4.611 4.470 -0.000 0.000 0.226 469 S C 1.224 175.810 174.600 -0.023 0.000 1.026 469 S CA 0.759 59.037 58.200 0.130 0.000 0.972 469 S CB -0.461 62.930 63.200 0.318 0.000 0.814 469 S HN 0.586 nan 8.310 nan 0.000 0.477 470 F N 1.676 121.256 119.950 -0.616 0.000 2.710 470 F HA 0.296 4.823 4.527 -0.000 0.000 0.298 470 F C 1.369 176.862 175.800 -0.512 0.000 1.137 470 F CA 0.155 57.497 58.000 -1.096 0.000 1.444 470 F CB -0.274 37.924 39.000 -1.336 0.000 1.111 470 F HN 0.100 nan 8.300 nan 0.000 0.580 471 L N -1.725 119.285 121.223 -0.354 0.000 2.253 471 L HA -0.046 4.294 4.340 -0.000 0.000 0.205 471 L C 2.453 179.198 176.870 -0.208 0.000 1.078 471 L CA 0.711 55.363 54.840 -0.314 0.000 0.805 471 L CB -0.774 41.167 42.059 -0.196 0.000 0.963 471 L HN -0.125 nan 8.230 nan 0.000 0.459 472 S N -0.715 114.920 115.700 -0.108 0.000 2.382 472 S HA -0.214 4.256 4.470 -0.000 0.000 0.228 472 S C 1.869 176.464 174.600 -0.008 0.000 1.027 472 S CA 1.169 59.344 58.200 -0.040 0.000 0.991 472 S CB -0.269 62.943 63.200 0.021 0.000 0.823 472 S HN 0.424 nan 8.310 nan 0.000 0.469 473 Y N 1.967 122.195 120.300 -0.119 0.000 2.242 473 Y HA -0.028 4.521 4.550 -0.000 0.000 0.291 473 Y C 1.713 177.537 175.900 -0.126 0.000 1.137 473 Y CA 1.219 59.281 58.100 -0.063 0.000 1.181 473 Y CB -0.388 38.069 38.460 -0.005 0.000 0.989 473 Y HN 0.163 nan 8.280 nan 0.000 0.527 474 L N 0.006 120.997 121.223 -0.387 0.000 2.023 474 L HA -0.163 4.177 4.340 -0.000 0.000 0.205 474 L C 2.445 179.130 176.870 -0.308 0.000 1.073 474 L CA 1.429 56.008 54.840 -0.435 0.000 0.745 474 L CB -0.522 41.265 42.059 -0.454 0.000 0.900 474 L HN 0.011 nan 8.230 nan 0.000 0.435 475 K N -0.126 120.134 120.400 -0.234 0.000 2.281 475 K HA -0.145 4.175 4.320 -0.000 0.000 0.203 475 K C 2.038 178.544 176.600 -0.158 0.000 1.046 475 K CA 1.651 57.836 56.287 -0.169 0.000 0.938 475 K CB -0.043 32.377 32.500 -0.132 0.000 0.737 475 K HN 0.427 nan 8.250 nan 0.000 0.458 476 S N -1.063 114.526 115.700 -0.185 0.000 2.506 476 S HA 0.103 4.572 4.470 -0.000 0.000 0.219 476 S C 1.185 175.651 174.600 -0.224 0.000 1.031 476 S CA -0.024 58.081 58.200 -0.159 0.000 0.911 476 S CB 0.203 63.340 63.200 -0.104 0.000 0.812 476 S HN 0.201 nan 8.310 nan 0.000 0.497 477 N N 0.540 119.014 118.700 -0.376 0.000 2.557 477 N HA 0.197 4.937 4.740 -0.000 0.000 0.217 477 N C 0.314 175.426 175.510 -0.663 0.000 1.062 477 N CA 0.388 53.106 53.050 -0.553 0.000 0.863 477 N CB 0.170 38.176 38.487 -0.801 0.000 1.390 477 N HN 0.323 nan 8.380 nan 0.000 0.445 478 H N -0.326 118.546 119.070 -0.331 0.000 2.492 478 H HA 0.277 4.833 4.556 -0.000 0.000 0.264 478 H C 0.452 175.659 175.328 -0.202 0.000 1.150 478 H CA -0.166 55.737 56.048 -0.241 0.000 0.962 478 H CB 0.145 29.753 29.762 -0.256 0.000 1.766 478 H HN 0.205 nan 8.280 nan 0.000 0.589 479 N N 1.663 120.293 118.700 -0.117 0.000 2.132 479 N HA -0.203 4.537 4.740 -0.000 0.000 0.191 479 N C 1.359 176.826 175.510 -0.071 0.000 1.015 479 N CA 1.450 54.438 53.050 -0.104 0.000 0.864 479 N CB 0.228 38.654 38.487 -0.102 0.000 1.006 479 N HN 0.412 nan 8.380 nan 0.000 0.430 480 E N -0.740 119.430 120.200 -0.050 0.000 2.516 480 E HA -0.012 4.338 4.350 -0.000 0.000 0.199 480 E C 1.468 178.046 176.600 -0.037 0.000 1.069 480 E CA 0.117 56.495 56.400 -0.037 0.000 0.876 480 E CB 0.100 29.785 29.700 -0.025 0.000 0.843 480 E HN 0.480 nan 8.360 nan 0.000 0.530 481 L N -0.080 121.115 121.223 -0.046 0.000 2.095 481 L HA -0.083 4.257 4.340 -0.000 0.000 0.204 481 L C 2.085 178.912 176.870 -0.072 0.000 1.080 481 L CA 0.791 55.589 54.840 -0.069 0.000 0.759 481 L CB -0.352 41.645 42.059 -0.104 0.000 0.914 481 L HN 0.226 nan 8.230 nan 0.000 0.439 482 L N -0.874 120.301 121.223 -0.081 0.000 2.201 482 L HA -0.103 4.237 4.340 -0.000 0.000 0.212 482 L C 2.522 179.361 176.870 -0.052 0.000 1.105 482 L CA 0.869 55.663 54.840 -0.077 0.000 0.775 482 L CB -1.116 40.884 42.059 -0.098 0.000 0.913 482 L HN 0.210 nan 8.230 nan 0.000 0.440 483 T N -0.522 114.004 114.554 -0.046 0.000 2.708 483 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 483 T C 1.800 176.488 174.700 -0.020 0.000 1.037 483 T CA 1.353 63.434 62.100 -0.031 0.000 1.146 483 T CB -0.110 68.740 68.868 -0.031 0.000 0.865 483 T HN 0.379 nan 8.240 nan 0.000 0.435 484 E N 0.423 120.609 120.200 -0.024 0.000 2.072 484 E HA -0.030 4.320 4.350 -0.000 0.000 0.191 484 E C 2.225 178.818 176.600 -0.011 0.000 0.985 484 E CA 0.845 57.235 56.400 -0.017 0.000 0.801 484 E CB -0.219 29.468 29.700 -0.023 0.000 0.750 484 E HN 0.479 nan 8.360 nan 0.000 0.452 485 I N 0.726 121.285 120.570 -0.019 0.000 2.394 485 I HA -0.231 3.939 4.170 -0.000 0.000 0.251 485 I C 2.712 178.835 176.117 0.011 0.000 1.136 485 I CA 0.735 62.029 61.300 -0.010 0.000 1.425 485 I CB -0.204 37.781 38.000 -0.024 0.000 1.079 485 I HN 0.023 nan 8.210 nan 0.000 0.425 486 R N 1.141 121.648 120.500 0.011 0.000 2.066 486 R HA -0.160 4.180 4.340 -0.000 0.000 0.232 486 R C 1.837 178.172 176.300 0.059 0.000 1.131 486 R CA 1.731 57.855 56.100 0.040 0.000 0.955 486 R CB 0.040 30.354 30.300 0.022 0.000 0.851 486 R HN 0.417 nan 8.270 nan 0.000 0.432 487 E N -0.813 119.408 120.200 0.036 0.000 2.340 487 E HA -0.044 4.305 4.350 -0.000 0.000 0.198 487 E C 1.702 178.318 176.600 0.026 0.000 0.961 487 E CA 0.191 56.614 56.400 0.038 0.000 0.905 487 E CB 0.393 30.110 29.700 0.029 0.000 0.884 487 E HN 0.222 nan 8.360 nan 0.000 0.491 488 K N 0.090 120.500 120.400 0.016 0.000 2.020 488 K HA -0.035 4.285 4.320 -0.000 0.000 0.206 488 K C 1.283 177.890 176.600 0.012 0.000 1.038 488 K CA 1.620 57.914 56.287 0.010 0.000 0.947 488 K CB 0.200 32.702 32.500 0.004 0.000 0.744 488 K HN 0.167 nan 8.250 nan 0.000 0.442 489 G N 0.516 109.323 108.800 0.012 0.000 2.201 489 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.212 489 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.212 489 G C -0.315 174.591 174.900 0.011 0.000 0.994 489 G CA 0.215 45.324 45.100 0.014 0.000 0.644 489 G HN 0.463 nan 8.290 nan 0.000 0.508 490 E N -0.784 119.420 120.200 0.007 0.000 2.316 490 E HA 0.736 5.086 4.350 -0.000 0.000 0.258 490 E C -0.636 175.966 176.600 0.004 0.000 0.952 490 E CA -1.032 55.372 56.400 0.008 0.000 0.818 490 E CB 1.816 31.520 29.700 0.007 0.000 1.260 490 E HN 0.101 nan 8.360 nan 0.000 0.416 491 L N 2.172 123.399 121.223 0.007 0.000 2.324 491 L HA 0.224 4.564 4.340 -0.000 0.000 0.274 491 L C -0.078 176.794 176.870 0.003 0.000 1.012 491 L CA -0.554 54.287 54.840 0.001 0.000 0.859 491 L CB 1.189 43.254 42.059 0.009 0.000 1.224 491 L HN 0.551 nan 8.230 nan 0.000 0.429 492 S N 1.628 117.326 115.700 -0.003 0.000 2.584 492 S HA 0.155 4.625 4.470 -0.000 0.000 0.270 492 S C 0.819 175.418 174.600 -0.001 0.000 1.346 492 S CA -0.592 57.607 58.200 -0.001 0.000 1.018 492 S CB 1.408 64.605 63.200 -0.004 0.000 0.899 492 S HN 0.557 nan 8.310 nan 0.000 0.542 493 K N 0.398 120.800 120.400 0.005 0.000 2.432 493 K HA -0.019 4.301 4.320 -0.000 0.000 0.196 493 K C 2.006 178.609 176.600 0.004 0.000 1.038 493 K CA 0.717 57.010 56.287 0.009 0.000 0.986 493 K CB -0.055 32.454 32.500 0.014 0.000 0.782 493 K HN 0.823 nan 8.250 nan 0.000 0.485 494 E N 0.949 121.148 120.200 -0.001 0.000 2.106 494 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 494 E C 1.816 178.405 176.600 -0.017 0.000 0.984 494 E CA 0.665 57.062 56.400 -0.006 0.000 0.806 494 E CB 0.155 29.852 29.700 -0.006 0.000 0.750 494 E HN 0.095 nan 8.360 nan 0.000 0.458 495 L N 0.831 122.039 121.223 -0.024 0.000 2.240 495 L HA -0.024 4.316 4.340 -0.000 0.000 0.211 495 L C 2.094 178.925 176.870 -0.065 0.000 1.106 495 L CA 0.971 55.783 54.840 -0.046 0.000 0.793 495 L CB -0.400 41.633 42.059 -0.044 0.000 0.927 495 L HN 0.216 nan 8.230 nan 0.000 0.446 496 L N -0.313 120.889 121.223 -0.036 0.000 2.191 496 L HA -0.042 4.297 4.340 -0.000 0.000 0.212 496 L C 2.344 179.202 176.870 -0.020 0.000 1.103 496 L CA 1.792 56.617 54.840 -0.025 0.000 0.769 496 L CB -0.656 41.422 42.059 0.031 0.000 0.908 496 L HN 0.290 nan 8.230 nan 0.000 0.438 497 A N -2.583 120.230 122.820 -0.011 0.000 2.072 497 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 497 A C 2.436 179.998 177.584 -0.038 0.000 1.156 497 A CA 1.195 53.232 52.037 -0.000 0.000 0.701 497 A CB -0.473 18.534 19.000 0.012 0.000 0.816 497 A HN 0.393 nan 8.150 nan 0.000 0.458 498 S N -0.736 114.922 115.700 -0.070 0.000 2.395 498 S HA -0.049 4.421 4.470 -0.000 0.000 0.225 498 S C 1.825 176.317 174.600 -0.179 0.000 1.027 498 S CA 1.225 59.363 58.200 -0.104 0.000 0.965 498 S CB -0.294 62.853 63.200 -0.087 0.000 0.812 498 S HN 0.472 nan 8.310 nan 0.000 0.482 499 L N 1.729 122.824 121.223 -0.214 0.000 2.156 499 L HA 0.170 4.509 4.340 -0.000 0.000 0.208 499 L C 2.134 178.833 176.870 -0.284 0.000 1.095 499 L CA 1.664 56.321 54.840 -0.305 0.000 0.770 499 L CB -0.511 41.285 42.059 -0.440 0.000 0.914 499 L HN 0.161 nan 8.230 nan 0.000 0.439 500 K N -1.117 119.161 120.400 -0.203 0.000 1.991 500 K HA -0.215 4.105 4.320 -0.000 0.000 0.212 500 K C 2.334 178.974 176.600 0.066 0.000 1.049 500 K CA 1.879 58.192 56.287 0.043 0.000 0.932 500 K CB -0.415 32.163 32.500 0.131 0.000 0.717 500 K HN 0.328 nan 8.250 nan 0.000 0.441 501 S N -0.526 115.182 115.700 0.015 0.000 2.423 501 S HA -0.027 4.443 4.470 -0.000 0.000 0.231 501 S C 1.730 176.352 174.600 0.036 0.000 1.014 501 S CA 0.961 59.178 58.200 0.028 0.000 0.965 501 S CB -0.201 63.013 63.200 0.023 0.000 0.785 501 S HN 0.449 nan 8.310 nan 0.000 0.495 502 A N 0.258 123.053 122.820 -0.041 0.000 2.172 502 A HA 0.037 4.357 4.320 -0.000 0.000 0.216 502 A C 2.087 179.839 177.584 0.281 0.000 1.154 502 A CA 1.690 53.715 52.037 -0.020 0.000 0.701 502 A CB -0.756 17.942 19.000 -0.502 0.000 0.789 502 A HN 0.601 nan 8.150 nan 0.000 0.465 503 T N -0.417 114.241 114.554 0.174 0.000 2.925 503 T HA -0.012 4.338 4.350 -0.000 0.000 0.245 503 T C 1.624 176.312 174.700 -0.020 0.000 1.025 503 T CA 1.251 63.425 62.100 0.123 0.000 1.149 503 T CB -0.212 68.687 68.868 0.051 0.000 0.866 503 T HN 0.544 nan 8.240 nan 0.000 0.437 504 E N 1.562 121.710 120.200 -0.087 0.000 2.333 504 E HA -0.025 4.324 4.350 -0.000 0.000 0.198 504 E C 2.221 178.821 176.600 0.001 0.000 1.007 504 E CA 0.558 56.907 56.400 -0.085 0.000 0.845 504 E CB -0.152 29.515 29.700 -0.054 0.000 0.766 504 E HN 0.299 nan 8.360 nan 0.000 0.507 505 S N -0.708 115.043 115.700 0.085 0.000 2.402 505 S HA -0.106 4.364 4.470 -0.000 0.000 0.229 505 S C 1.466 176.094 174.600 0.046 0.000 1.021 505 S CA 0.663 58.938 58.200 0.125 0.000 0.974 505 S CB -0.110 63.261 63.200 0.285 0.000 0.800 505 S HN 0.368 nan 8.310 nan 0.000 0.484 506 F N 1.331 121.198 119.950 -0.139 0.000 2.317 506 F HA 0.196 4.723 4.527 -0.000 0.000 0.293 506 F C 1.943 177.634 175.800 -0.181 0.000 1.085 506 F CA 0.579 58.388 58.000 -0.318 0.000 1.390 506 F CB -0.332 38.488 39.000 -0.300 0.000 1.077 506 F HN -0.008 nan 8.300 nan 0.000 0.517 507 V N 0.883 120.735 119.914 -0.102 0.000 2.453 507 V HA -0.352 3.768 4.120 -0.000 0.000 0.252 507 V C 2.717 178.694 176.094 -0.194 0.000 1.068 507 V CA 1.699 63.915 62.300 -0.140 0.000 1.070 507 V CB -1.668 30.096 31.823 -0.098 0.000 0.664 507 V HN 0.460 nan 8.190 nan 0.000 0.461 508 A N 0.274 122.988 122.820 -0.177 0.000 1.978 508 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 508 A C 1.716 179.188 177.584 -0.187 0.000 1.170 508 A CA 1.881 53.830 52.037 -0.146 0.000 0.636 508 A CB -0.762 18.178 19.000 -0.100 0.000 0.810 508 A HN 0.661 nan 8.150 nan 0.000 0.448 509 T N 0.000 114.372 114.554 -0.304 0.000 3.816 509 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 509 T CA 0.000 61.919 62.100 -0.301 0.000 1.349 509 T CB 0.000 68.628 68.868 -0.401 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658