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 2q1y_1_B DATA FIRST_RESID 6 DATA SEQUENCE NYLAVIKVVG IGGGGVNAVN RMIEQGLKGV EFIAINTDAQ ALLMSDADVK DATA SEQUENCE LDVGXXXXXX XXXXADPEVG RKAAEDAKDE IEELLRGADM VFVTAGEGGG DATA SEQUENCE TGTGGAPVVA SIARKLGALT VGVVTRPFSF EGKRRSNQAE NGIAALRESC DATA SEQUENCE DTLIVIPNDR LLQMXXXXVS LMDAFRSADE VLLNGVQGIT DLITTPGLIN DATA SEQUENCE VDFADVKGIM SGAGTALMGI GSARGEGRSL KAAEIAINSP LLEASMEGAQ DATA SEQUENCE GVLMSIAGGS DLGLFEINEA ASLVQDAAHP DANIIFGTVI DDSLGDEVRV DATA SEQUENCE TVIAAGF 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 6 N HA 0.000 nan 4.740 nan 0.000 0.220 6 N C 0.000 175.279 175.510 -0.385 0.000 1.280 6 N CA 0.000 52.897 53.050 -0.256 0.000 0.885 6 N CB 0.000 38.408 38.487 -0.132 0.000 1.341 7 Y N 0.743 121.011 120.300 -0.053 0.000 2.436 7 Y HA 0.429 4.979 4.550 -0.000 0.000 0.288 7 Y C 0.575 176.439 175.900 -0.060 0.000 1.112 7 Y CA 0.165 58.241 58.100 -0.040 0.000 1.220 7 Y CB 0.512 38.961 38.460 -0.019 0.000 1.073 7 Y HN 0.078 nan 8.280 nan 0.000 0.552 8 L N 1.253 122.506 121.223 0.049 0.000 2.259 8 L HA 0.520 4.860 4.340 -0.000 0.000 0.288 8 L C 0.249 177.044 176.870 -0.125 0.000 1.051 8 L CA -0.644 54.179 54.840 -0.028 0.000 0.824 8 L CB 0.021 42.073 42.059 -0.012 0.000 1.206 8 L HN 0.073 nan 8.230 nan 0.000 0.429 9 A N 4.505 127.190 122.820 -0.224 0.000 2.540 9 A HA 0.330 4.650 4.320 -0.000 0.000 0.239 9 A C -0.118 177.301 177.584 -0.275 0.000 1.061 9 A CA -0.193 51.599 52.037 -0.408 0.000 0.758 9 A CB 0.065 18.625 19.000 -0.734 0.000 0.991 9 A HN 0.469 nan 8.150 nan 0.000 0.502 10 V N 4.880 124.639 119.914 -0.258 0.000 2.368 10 V HA 0.250 4.370 4.120 -0.000 0.000 0.266 10 V C 0.062 176.071 176.094 -0.142 0.000 1.045 10 V CA 0.186 62.390 62.300 -0.160 0.000 0.899 10 V CB 0.134 31.885 31.823 -0.120 0.000 1.006 10 V HN 0.625 nan 8.190 nan 0.000 0.470 11 I N 5.544 126.050 120.570 -0.106 0.000 2.378 11 I HA 0.493 4.663 4.170 -0.000 0.000 0.291 11 I C -0.070 176.019 176.117 -0.047 0.000 0.992 11 I CA -0.658 60.619 61.300 -0.038 0.000 1.154 11 I CB 1.643 39.650 38.000 0.011 0.000 1.315 11 I HN 0.444 nan 8.210 nan 0.000 0.448 12 K N 5.509 125.913 120.400 0.007 0.000 2.323 12 K HA 0.590 4.910 4.320 -0.000 0.000 0.259 12 K C -1.151 175.492 176.600 0.073 0.000 0.947 12 K CA -0.681 55.602 56.287 -0.007 0.000 0.819 12 K CB 2.726 35.226 32.500 -0.001 0.000 1.109 12 K HN 0.297 nan 8.250 nan 0.000 0.429 13 V N 3.911 123.837 119.914 0.021 0.000 2.328 13 V HA 0.219 4.339 4.120 -0.000 0.000 0.278 13 V C -0.316 175.865 176.094 0.146 0.000 1.021 13 V CA -0.908 61.461 62.300 0.115 0.000 0.838 13 V CB 1.364 33.217 31.823 0.050 0.000 0.999 13 V HN 0.447 nan 8.190 nan 0.000 0.447 14 V N 4.309 124.311 119.914 0.145 0.000 2.350 14 V HA 0.644 4.764 4.120 -0.000 0.000 0.276 14 V C 0.823 176.982 176.094 0.108 0.000 1.028 14 V CA -0.330 62.038 62.300 0.113 0.000 0.860 14 V CB 1.500 33.372 31.823 0.082 0.000 0.990 14 V HN 0.905 nan 8.190 nan 0.000 0.453 15 G N 4.761 113.619 108.800 0.096 0.000 2.335 15 G HA2 0.681 4.641 3.960 -0.000 0.000 0.314 15 G HA3 0.681 4.641 3.960 -0.000 0.000 0.314 15 G C -0.971 173.957 174.900 0.047 0.000 1.129 15 G CA -0.361 44.779 45.100 0.067 0.000 0.912 15 G HN 0.691 nan 8.290 nan 0.000 0.443 16 I N 2.280 122.873 120.570 0.038 0.000 2.545 16 I HA 0.717 4.886 4.170 -0.000 0.000 0.292 16 I C 0.508 176.636 176.117 0.018 0.000 1.040 16 I CA 0.248 61.564 61.300 0.027 0.000 1.068 16 I CB 1.646 39.663 38.000 0.028 0.000 1.251 16 I HN 1.109 nan 8.210 nan 0.000 0.424 17 G N 4.024 112.832 108.800 0.012 0.000 2.829 17 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.628 17 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.628 17 G C 0.541 175.442 174.900 0.003 0.000 1.412 17 G CA -0.203 44.901 45.100 0.007 0.000 0.864 17 G HN 1.218 nan 8.290 nan 0.000 0.544 18 G N -0.283 108.516 108.800 -0.002 0.000 2.446 18 G HA2 0.185 4.145 3.960 -0.000 0.000 0.217 18 G HA3 0.185 4.145 3.960 -0.000 0.000 0.217 18 G C 1.978 176.873 174.900 -0.009 0.000 1.168 18 G CA 2.084 47.179 45.100 -0.007 0.000 0.771 18 G HN 1.948 nan 8.290 nan 0.000 0.551 19 G N 0.618 109.414 108.800 -0.007 0.000 2.422 19 G HA2 0.086 4.046 3.960 -0.000 0.000 0.218 19 G HA3 0.086 4.046 3.960 -0.000 0.000 0.218 19 G C 1.727 176.627 174.900 -0.001 0.000 1.146 19 G CA 1.371 46.467 45.100 -0.007 0.000 0.769 19 G HN 0.603 nan 8.290 nan 0.000 0.547 20 G N 0.315 109.119 108.800 0.006 0.000 2.394 20 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.215 20 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.215 20 G C 1.753 176.660 174.900 0.011 0.000 1.165 20 G CA 1.081 46.191 45.100 0.016 0.000 0.784 20 G HN 0.293 nan 8.290 nan 0.000 0.535 21 V N 1.416 121.333 119.914 0.004 0.000 2.343 21 V HA -0.189 3.930 4.120 -0.000 0.000 0.247 21 V C 2.616 178.694 176.094 -0.027 0.000 1.051 21 V CA 2.011 64.307 62.300 -0.006 0.000 1.036 21 V CB -0.523 31.296 31.823 -0.006 0.000 0.654 21 V HN 0.404 nan 8.190 nan 0.000 0.451 22 N N 0.569 119.254 118.700 -0.025 0.000 2.120 22 N HA -0.139 4.601 4.740 -0.000 0.000 0.188 22 N C 1.763 177.248 175.510 -0.041 0.000 1.024 22 N CA 1.675 54.705 53.050 -0.034 0.000 0.852 22 N CB -0.328 38.142 38.487 -0.028 0.000 1.003 22 N HN 0.424 nan 8.380 nan 0.000 0.424 23 A N -0.096 122.708 122.820 -0.027 0.000 1.877 23 A HA -0.089 4.230 4.320 -0.000 0.000 0.216 23 A C 2.442 179.994 177.584 -0.053 0.000 1.186 23 A CA 1.672 53.694 52.037 -0.025 0.000 0.620 23 A CB -0.946 18.054 19.000 -0.000 0.000 0.822 23 A HN 0.168 nan 8.150 nan 0.000 0.443 24 V N 0.989 120.870 119.914 -0.055 0.000 2.407 24 V HA -0.239 3.880 4.120 -0.000 0.000 0.248 24 V C 2.234 178.155 176.094 -0.288 0.000 1.055 24 V CA 2.089 64.313 62.300 -0.126 0.000 1.049 24 V CB -0.956 30.851 31.823 -0.027 0.000 0.662 24 V HN 0.558 nan 8.190 nan 0.000 0.455 25 N N 0.255 118.844 118.700 -0.184 0.000 2.166 25 N HA -0.171 4.569 4.740 -0.000 0.000 0.186 25 N C 1.943 177.346 175.510 -0.178 0.000 1.019 25 N CA 1.365 54.303 53.050 -0.186 0.000 0.856 25 N CB -0.469 37.952 38.487 -0.109 0.000 0.993 25 N HN 0.484 nan 8.380 nan 0.000 0.426 26 R N 0.596 121.016 120.500 -0.132 0.000 2.092 26 R HA 0.045 4.385 4.340 -0.000 0.000 0.231 26 R C 2.025 178.247 176.300 -0.130 0.000 1.119 26 R CA 0.956 56.994 56.100 -0.102 0.000 0.970 26 R CB -0.082 30.183 30.300 -0.058 0.000 0.864 26 R HN 0.155 nan 8.270 nan 0.000 0.440 27 M N 0.158 119.649 119.600 -0.182 0.000 2.159 27 M HA -0.145 4.335 4.480 -0.000 0.000 0.263 27 M C 2.163 178.285 176.300 -0.298 0.000 1.063 27 M CA 1.585 56.777 55.300 -0.180 0.000 1.110 27 M CB -0.141 32.392 32.600 -0.111 0.000 1.374 27 M HN 0.182 nan 8.290 nan 0.000 0.411 28 I N -0.187 120.057 120.570 -0.543 0.000 2.163 28 I HA -0.264 3.906 4.170 -0.000 0.000 0.240 28 I C 2.498 178.504 176.117 -0.185 0.000 1.081 28 I CA 1.304 62.333 61.300 -0.451 0.000 1.353 28 I CB -0.392 37.319 38.000 -0.482 0.000 1.054 28 I HN 0.248 nan 8.210 nan 0.000 0.407 29 E N 1.165 121.273 120.200 -0.153 0.000 2.130 29 E HA -0.254 4.096 4.350 -0.000 0.000 0.196 29 E C 1.915 178.481 176.600 -0.055 0.000 0.998 29 E CA 1.550 57.899 56.400 -0.085 0.000 0.806 29 E CB -0.124 29.532 29.700 -0.072 0.000 0.738 29 E HN 0.469 nan 8.360 nan 0.000 0.459 30 Q N -0.924 118.843 119.800 -0.055 0.000 2.365 30 Q HA 0.155 4.495 4.340 -0.000 0.000 0.203 30 Q C 0.742 176.738 176.000 -0.005 0.000 0.929 30 Q CA 0.538 56.327 55.803 -0.025 0.000 0.948 30 Q CB 0.584 29.310 28.738 -0.020 0.000 1.043 30 Q HN 0.425 nan 8.270 nan 0.000 0.505 31 G N 2.195 110.993 108.800 -0.002 0.000 2.198 31 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.257 31 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.257 31 G C -0.153 174.788 174.900 0.068 0.000 1.042 31 G CA -0.011 45.108 45.100 0.031 0.000 0.791 31 G HN 0.342 nan 8.290 nan 0.000 0.502 32 L N 0.640 121.928 121.223 0.108 0.000 2.584 32 L HA 0.438 4.778 4.340 -0.000 0.000 0.272 32 L C 0.516 177.491 176.870 0.175 0.000 1.195 32 L CA 0.090 55.024 54.840 0.156 0.000 0.920 32 L CB 0.246 42.455 42.059 0.249 0.000 1.173 32 L HN 0.155 nan 8.230 nan 0.000 0.489 33 K N 3.912 124.352 120.400 0.067 0.000 2.139 33 K HA 0.656 4.975 4.320 -0.000 0.000 0.243 33 K C 0.817 177.394 176.600 -0.039 0.000 0.983 33 K CA -0.052 56.251 56.287 0.026 0.000 0.890 33 K CB 1.224 33.734 32.500 0.016 0.000 1.090 33 K HN 0.774 nan 8.250 nan 0.000 0.445 34 G N -0.617 108.148 108.800 -0.059 0.000 2.159 34 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.256 34 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.256 34 G C -0.017 174.799 174.900 -0.140 0.000 0.977 34 G CA 0.467 45.519 45.100 -0.080 0.000 0.652 34 G HN 0.581 nan 8.290 nan 0.000 0.531 35 V N -3.163 116.603 119.914 -0.248 0.000 3.040 35 V HA 0.883 5.002 4.120 -0.000 0.000 0.312 35 V C -0.198 175.600 176.094 -0.493 0.000 1.115 35 V CA -0.933 61.145 62.300 -0.370 0.000 0.998 35 V CB 2.177 33.708 31.823 -0.486 0.000 1.042 35 V HN 0.415 nan 8.190 nan 0.000 0.433 36 E N 1.801 121.775 120.200 -0.377 0.000 2.197 36 E HA 0.486 4.836 4.350 -0.000 0.000 0.281 36 E C -1.582 174.813 176.600 -0.342 0.000 0.995 36 E CA -0.672 55.555 56.400 -0.289 0.000 0.808 36 E CB 1.129 30.757 29.700 -0.120 0.000 1.093 36 E HN 0.652 nan 8.360 nan 0.000 0.394 37 F N 4.622 124.574 119.950 0.003 0.000 2.408 37 F HA 0.417 4.944 4.527 -0.000 0.000 0.344 37 F C 0.225 176.029 175.800 0.008 0.000 1.112 37 F CA -0.639 57.363 58.000 0.003 0.000 1.096 37 F CB 0.960 39.957 39.000 -0.005 0.000 1.129 37 F HN 0.296 nan 8.300 nan 0.000 0.486 38 I N 3.062 123.749 120.570 0.196 0.000 2.447 38 I HA 0.514 4.684 4.170 -0.000 0.000 0.287 38 I C -0.662 175.517 176.117 0.102 0.000 1.023 38 I CA -0.862 60.508 61.300 0.116 0.000 1.083 38 I CB 1.866 39.910 38.000 0.074 0.000 1.245 38 I HN 0.627 nan 8.210 nan 0.000 0.434 39 A N 8.017 130.881 122.820 0.073 0.000 2.258 39 A HA 0.796 5.116 4.320 -0.000 0.000 0.316 39 A C -0.561 177.043 177.584 0.034 0.000 1.279 39 A CA -0.366 51.699 52.037 0.047 0.000 0.876 39 A CB 0.330 19.347 19.000 0.028 0.000 1.170 39 A HN 0.698 nan 8.150 nan 0.000 0.520 40 I N 2.824 123.413 120.570 0.031 0.000 2.390 40 I HA 0.181 4.351 4.170 -0.000 0.000 0.283 40 I C -0.097 176.029 176.117 0.016 0.000 1.016 40 I CA -0.552 60.762 61.300 0.023 0.000 1.151 40 I CB 1.547 39.561 38.000 0.025 0.000 1.293 40 I HN 0.725 nan 8.210 nan 0.000 0.458 41 N N 3.528 122.235 118.700 0.012 0.000 2.488 41 N HA 0.200 4.940 4.740 -0.000 0.000 0.274 41 N C 0.768 176.282 175.510 0.007 0.000 1.111 41 N CA -0.078 52.976 53.050 0.007 0.000 0.974 41 N CB 0.932 39.422 38.487 0.005 0.000 1.089 41 N HN 0.644 nan 8.380 nan 0.000 0.465 42 T N -1.635 112.922 114.554 0.006 0.000 3.084 42 T HA 0.257 4.607 4.350 -0.000 0.000 0.270 42 T C -0.440 174.262 174.700 0.003 0.000 1.008 42 T CA -0.384 61.719 62.100 0.005 0.000 0.900 42 T CB 0.055 68.927 68.868 0.006 0.000 1.084 42 T HN 0.298 nan 8.240 nan 0.000 0.538 43 D N 1.171 121.572 120.400 0.002 0.000 2.217 43 D HA 0.601 5.240 4.640 -0.000 0.000 0.243 43 D C 1.019 177.319 176.300 0.001 0.000 1.054 43 D CA -0.352 53.648 54.000 0.001 0.000 0.838 43 D CB 2.107 42.906 40.800 -0.001 0.000 1.162 43 D HN 0.179 nan 8.370 nan 0.000 0.472 44 A N 2.695 125.515 122.820 0.001 0.000 1.873 44 A HA -0.203 4.116 4.320 -0.000 0.000 0.215 44 A C 1.741 179.325 177.584 -0.000 0.000 1.186 44 A CA 1.399 53.436 52.037 0.001 0.000 0.616 44 A CB -0.288 18.712 19.000 0.001 0.000 0.823 44 A HN 0.575 nan 8.150 nan 0.000 0.442 45 Q N -1.077 118.722 119.800 -0.001 0.000 2.378 45 Q HA 0.345 4.685 4.340 -0.000 0.000 0.205 45 Q C 0.425 176.424 176.000 -0.002 0.000 0.954 45 Q CA 0.628 56.431 55.803 -0.001 0.000 0.901 45 Q CB -0.026 28.711 28.738 -0.001 0.000 0.981 45 Q HN 0.626 nan 8.270 nan 0.000 0.483 46 A N 0.613 123.431 122.820 -0.002 0.000 2.515 46 A HA 0.654 4.974 4.320 -0.000 0.000 0.298 46 A C -1.909 175.673 177.584 -0.003 0.000 1.059 46 A CA -0.682 51.353 52.037 -0.004 0.000 0.698 46 A CB 1.521 20.518 19.000 -0.005 0.000 1.289 46 A HN 0.127 nan 8.150 nan 0.000 0.404 47 L N 1.896 123.117 121.223 -0.004 0.000 2.404 47 L HA 0.721 5.061 4.340 -0.000 0.000 0.272 47 L C -1.584 175.282 176.870 -0.007 0.000 0.980 47 L CA -0.569 54.269 54.840 -0.004 0.000 0.836 47 L CB 1.628 43.685 42.059 -0.003 0.000 1.238 47 L HN 0.687 nan 8.230 nan 0.000 0.408 48 L N 5.540 126.759 121.223 -0.008 0.000 2.281 48 L HA 0.502 4.842 4.340 -0.000 0.000 0.285 48 L C -0.083 176.780 176.870 -0.012 0.000 1.074 48 L CA 0.305 55.138 54.840 -0.012 0.000 0.817 48 L CB 0.830 42.881 42.059 -0.014 0.000 1.168 48 L HN 0.752 nan 8.230 nan 0.000 0.434 49 M N 3.132 122.724 119.600 -0.014 0.000 2.202 49 M HA 0.340 4.820 4.480 -0.000 0.000 0.316 49 M C 0.254 176.542 176.300 -0.020 0.000 1.138 49 M CA 0.228 55.520 55.300 -0.013 0.000 1.151 49 M CB 1.261 33.853 32.600 -0.013 0.000 1.422 49 M HN 0.725 nan 8.290 nan 0.000 0.471 50 S N -0.730 114.958 115.700 -0.019 0.000 2.537 50 S HA 0.286 4.756 4.470 -0.000 0.000 0.270 50 S C -0.965 173.620 174.600 -0.024 0.000 1.142 50 S CA -0.812 57.371 58.200 -0.029 0.000 0.870 50 S CB 1.257 64.444 63.200 -0.022 0.000 1.112 50 S HN 0.711 nan 8.310 nan 0.000 0.466 51 D N 2.096 122.472 120.400 -0.040 0.000 2.358 51 D HA 0.310 4.950 4.640 -0.000 0.000 0.224 51 D C 0.664 176.956 176.300 -0.013 0.000 1.123 51 D CA 0.122 54.105 54.000 -0.028 0.000 0.833 51 D CB 0.468 41.244 40.800 -0.040 0.000 0.946 51 D HN 0.632 nan 8.370 nan 0.000 0.505 52 A N 0.753 123.570 122.820 -0.005 0.000 2.483 52 A HA -0.005 4.315 4.320 -0.000 0.000 0.238 52 A C 1.296 178.927 177.584 0.078 0.000 1.070 52 A CA -0.092 51.981 52.037 0.060 0.000 0.770 52 A CB 0.575 19.623 19.000 0.080 0.000 1.008 52 A HN 0.009 nan 8.150 nan 0.000 0.497 53 D N 0.156 120.628 120.400 0.120 0.000 2.106 53 D HA -0.107 4.533 4.640 -0.000 0.000 0.191 53 D C 0.429 176.762 176.300 0.056 0.000 0.997 53 D CA 1.761 55.810 54.000 0.082 0.000 0.834 53 D CB -0.193 40.657 40.800 0.084 0.000 0.956 53 D HN 0.267 nan 8.370 nan 0.000 0.448 54 V N 0.810 120.761 119.914 0.062 0.000 2.495 54 V HA 0.331 4.451 4.120 -0.000 0.000 0.298 54 V C -0.170 175.951 176.094 0.045 0.000 1.031 54 V CA -0.694 61.632 62.300 0.044 0.000 0.871 54 V CB 2.220 34.066 31.823 0.038 0.000 0.988 54 V HN -0.067 nan 8.190 nan 0.000 0.432 55 K N 4.013 124.431 120.400 0.032 0.000 2.426 55 K HA 0.815 5.135 4.320 -0.000 0.000 0.251 55 K C -1.688 174.924 176.600 0.021 0.000 0.941 55 K CA -0.856 55.447 56.287 0.027 0.000 0.808 55 K CB 2.772 35.283 32.500 0.020 0.000 1.265 55 K HN 0.425 nan 8.250 nan 0.000 0.432 56 L N 1.817 123.052 121.223 0.019 0.000 2.476 56 L HA 0.346 4.685 4.340 -0.000 0.000 0.269 56 L C -1.765 175.113 176.870 0.013 0.000 0.965 56 L CA -0.310 54.539 54.840 0.015 0.000 0.845 56 L CB 1.810 43.878 42.059 0.016 0.000 1.259 56 L HN 0.585 nan 8.230 nan 0.000 0.403 57 D N 3.380 123.785 120.400 0.009 0.000 2.467 57 D HA 0.252 4.892 4.640 -0.000 0.000 0.220 57 D C 0.759 177.062 176.300 0.006 0.000 1.103 57 D CA -0.126 53.879 54.000 0.007 0.000 0.886 57 D CB 1.292 42.095 40.800 0.005 0.000 1.025 57 D HN 0.373 nan 8.370 nan 0.000 0.514 58 V N 1.927 121.845 119.914 0.007 0.000 3.649 58 V HA 0.463 4.583 4.120 -0.000 0.000 0.275 58 V C 1.078 177.175 176.094 0.005 0.000 1.281 58 V CA 0.359 62.662 62.300 0.006 0.000 1.143 58 V CB -0.233 31.594 31.823 0.007 0.000 0.892 58 V HN 0.343 nan 8.190 nan 0.000 0.441 71 D N 0.564 120.964 120.400 0.001 0.000 2.232 71 D HA 0.526 5.166 4.640 -0.000 0.000 0.242 71 D C -1.567 174.734 176.300 0.001 0.000 1.093 71 D CA -1.742 52.259 54.000 0.001 0.000 0.845 71 D CB 1.979 42.780 40.800 0.001 0.000 1.124 71 D HN 0.013 nan 8.370 nan 0.000 0.467 72 P HA -0.160 nan 4.420 nan 0.000 0.215 72 P C 1.038 178.339 177.300 0.001 0.000 1.153 72 P CA 0.877 63.978 63.100 0.001 0.000 0.853 72 P CB 0.371 32.071 31.700 -0.000 0.000 0.788 73 E N -0.066 120.135 120.200 0.001 0.000 2.097 73 E HA -0.158 4.192 4.350 -0.000 0.000 0.196 73 E C 1.819 178.419 176.600 0.001 0.000 1.000 73 E CA 1.278 57.678 56.400 0.001 0.000 0.804 73 E CB -1.269 28.431 29.700 0.000 0.000 0.740 73 E HN -0.049 nan 8.360 nan 0.000 0.454 74 V N 0.035 119.949 119.914 0.001 0.000 2.343 74 V HA -0.175 3.944 4.120 -0.000 0.000 0.247 74 V C 2.282 178.377 176.094 0.002 0.000 1.051 74 V CA 1.907 64.208 62.300 0.001 0.000 1.036 74 V CB -1.040 30.784 31.823 0.001 0.000 0.654 74 V HN 0.496 nan 8.190 nan 0.000 0.451 75 G N -0.700 108.101 108.800 0.002 0.000 2.402 75 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.216 75 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.216 75 G C 1.727 176.630 174.900 0.004 0.000 1.162 75 G CA 0.801 45.903 45.100 0.003 0.000 0.777 75 G HN 0.382 nan 8.290 nan 0.000 0.539 76 R N 0.524 121.026 120.500 0.003 0.000 2.080 76 R HA -0.063 4.277 4.340 -0.000 0.000 0.236 76 R C 2.581 178.883 176.300 0.002 0.000 1.137 76 R CA 1.632 57.733 56.100 0.002 0.000 0.943 76 R CB -0.279 30.022 30.300 0.001 0.000 0.846 76 R HN 0.247 nan 8.270 nan 0.000 0.431 77 K N -0.178 120.223 120.400 0.002 0.000 2.063 77 K HA -0.141 4.179 4.320 -0.000 0.000 0.208 77 K C 2.105 178.706 176.600 0.002 0.000 1.048 77 K CA 1.435 57.723 56.287 0.002 0.000 0.928 77 K CB -0.203 32.297 32.500 0.001 0.000 0.713 77 K HN 0.229 nan 8.250 nan 0.000 0.442 78 A N 1.550 124.371 122.820 0.003 0.000 1.908 78 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 78 A C 2.373 179.959 177.584 0.004 0.000 1.181 78 A CA 2.009 54.048 52.037 0.003 0.000 0.627 78 A CB -0.595 18.407 19.000 0.004 0.000 0.818 78 A HN 0.362 nan 8.150 nan 0.000 0.445 79 A N -0.642 122.181 122.820 0.005 0.000 1.872 79 A HA -0.078 4.242 4.320 -0.000 0.000 0.214 79 A C 1.936 179.523 177.584 0.004 0.000 1.187 79 A CA 1.450 53.491 52.037 0.006 0.000 0.614 79 A CB -0.434 18.570 19.000 0.007 0.000 0.826 79 A HN 0.439 nan 8.150 nan 0.000 0.442 80 E N 0.745 120.947 120.200 0.003 0.000 2.070 80 E HA -0.227 4.123 4.350 -0.000 0.000 0.197 80 E C 1.509 178.110 176.600 0.002 0.000 1.004 80 E CA 1.618 58.020 56.400 0.002 0.000 0.805 80 E CB -0.528 29.172 29.700 0.001 0.000 0.744 80 E HN 0.560 nan 8.360 nan 0.000 0.451 81 D N 0.268 120.669 120.400 0.002 0.000 2.182 81 D HA -0.121 4.519 4.640 -0.000 0.000 0.201 81 D C 1.212 177.514 176.300 0.003 0.000 0.986 81 D CA 1.348 55.349 54.000 0.002 0.000 0.847 81 D CB -0.107 40.695 40.800 0.002 0.000 0.942 81 D HN 0.168 nan 8.370 nan 0.000 0.467 82 A N 0.596 123.418 122.820 0.004 0.000 2.507 82 A HA 0.056 4.376 4.320 -0.000 0.000 0.270 82 A C 1.727 179.314 177.584 0.004 0.000 1.318 82 A CA -0.202 51.837 52.037 0.004 0.000 0.924 82 A CB -0.298 18.705 19.000 0.006 0.000 1.061 82 A HN 0.227 nan 8.150 nan 0.000 0.516 83 K N -0.123 120.279 120.400 0.003 0.000 2.097 83 K HA -0.186 4.133 4.320 -0.000 0.000 0.206 83 K C 0.519 177.121 176.600 0.003 0.000 1.049 83 K CA 1.680 57.969 56.287 0.003 0.000 0.933 83 K CB -0.256 32.245 32.500 0.002 0.000 0.717 83 K HN 0.231 nan 8.250 nan 0.000 0.442 84 D N 1.404 121.806 120.400 0.002 0.000 2.117 84 D HA -0.121 4.518 4.640 -0.000 0.000 0.198 84 D C 1.793 178.095 176.300 0.003 0.000 0.982 84 D CA 1.329 55.330 54.000 0.002 0.000 0.828 84 D CB -0.068 40.733 40.800 0.002 0.000 0.967 84 D HN 0.370 nan 8.370 nan 0.000 0.464 85 E N 0.558 120.761 120.200 0.004 0.000 2.072 85 E HA -0.050 4.300 4.350 -0.000 0.000 0.191 85 E C 2.299 178.903 176.600 0.006 0.000 0.985 85 E CA 0.355 56.758 56.400 0.005 0.000 0.801 85 E CB -0.172 29.531 29.700 0.006 0.000 0.750 85 E HN 0.309 nan 8.360 nan 0.000 0.452 86 I N 0.859 121.433 120.570 0.007 0.000 2.286 86 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 86 I C 2.516 178.637 176.117 0.006 0.000 1.115 86 I CA 1.243 62.548 61.300 0.009 0.000 1.392 86 I CB -0.204 37.802 38.000 0.009 0.000 1.065 86 I HN 0.171 nan 8.210 nan 0.000 0.418 87 E N 1.210 121.412 120.200 0.004 0.000 2.077 87 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 87 E C 2.005 178.606 176.600 0.001 0.000 0.989 87 E CA 1.326 57.727 56.400 0.002 0.000 0.800 87 E CB 0.071 29.771 29.700 0.000 0.000 0.746 87 E HN 0.491 nan 8.360 nan 0.000 0.452 88 E N 0.450 120.651 120.200 0.002 0.000 2.058 88 E HA -0.202 4.147 4.350 -0.000 0.000 0.194 88 E C 2.286 178.887 176.600 0.001 0.000 0.997 88 E CA 1.164 57.565 56.400 0.001 0.000 0.801 88 E CB -0.111 29.590 29.700 0.002 0.000 0.746 88 E HN 0.345 nan 8.360 nan 0.000 0.450 89 L N 0.489 121.715 121.223 0.004 0.000 2.131 89 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 89 L C 2.297 179.169 176.870 0.003 0.000 1.092 89 L CA 0.903 55.747 54.840 0.006 0.000 0.759 89 L CB -0.267 41.799 42.059 0.011 0.000 0.903 89 L HN 0.198 nan 8.230 nan 0.000 0.435 90 L N -1.031 120.193 121.223 0.002 0.000 2.416 90 L HA 0.036 4.376 4.340 -0.000 0.000 0.216 90 L C 1.419 178.285 176.870 -0.007 0.000 1.098 90 L CA -0.196 54.643 54.840 -0.001 0.000 0.840 90 L CB -0.181 41.879 42.059 0.001 0.000 0.981 90 L HN 0.163 nan 8.230 nan 0.000 0.462 91 R N 0.888 121.384 120.500 -0.007 0.000 2.566 91 R HA 0.042 4.381 4.340 -0.000 0.000 0.273 91 R C 1.126 177.417 176.300 -0.015 0.000 0.981 91 R CA 1.239 57.334 56.100 -0.010 0.000 1.091 91 R CB 0.132 30.428 30.300 -0.007 0.000 0.924 91 R HN 0.323 nan 8.270 nan 0.000 0.411 92 G N 1.784 110.573 108.800 -0.019 0.000 2.199 92 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.254 92 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.254 92 G C 0.093 174.968 174.900 -0.040 0.000 0.982 92 G CA 0.066 45.150 45.100 -0.028 0.000 0.632 92 G HN 0.963 nan 8.290 nan 0.000 0.529 93 A N 0.360 123.159 122.820 -0.035 0.000 2.440 93 A HA 0.552 4.872 4.320 -0.000 0.000 0.251 93 A C 1.144 178.699 177.584 -0.047 0.000 1.089 93 A CA 0.747 52.756 52.037 -0.046 0.000 0.779 93 A CB 0.317 19.300 19.000 -0.028 0.000 1.022 93 A HN 0.238 nan 8.150 nan 0.000 0.492 94 D N 1.130 121.476 120.400 -0.090 0.000 2.213 94 D HA 0.041 4.681 4.640 -0.000 0.000 0.205 94 D C 0.329 176.663 176.300 0.057 0.000 0.961 94 D CA 1.249 55.206 54.000 -0.072 0.000 0.853 94 D CB 0.206 40.801 40.800 -0.342 0.000 0.967 94 D HN 0.613 nan 8.370 nan 0.000 0.496 95 M N 0.914 120.515 119.600 0.002 0.000 2.386 95 M HA 0.301 4.781 4.480 -0.000 0.000 0.293 95 M C -2.121 174.177 176.300 -0.003 0.000 1.120 95 M CA -0.506 54.819 55.300 0.041 0.000 0.909 95 M CB 3.079 35.751 32.600 0.121 0.000 1.661 95 M HN -0.406 nan 8.290 nan 0.000 0.452 96 V N 4.751 124.627 119.914 -0.064 0.000 2.525 96 V HA 0.505 4.624 4.120 -0.000 0.000 0.299 96 V C -1.142 174.882 176.094 -0.117 0.000 1.034 96 V CA -0.525 61.759 62.300 -0.027 0.000 0.863 96 V CB 1.773 33.586 31.823 -0.016 0.000 0.999 96 V HN 0.703 nan 8.190 nan 0.000 0.423 97 F N 3.560 123.515 119.950 0.009 0.000 2.399 97 F HA 0.704 5.230 4.527 -0.000 0.000 0.334 97 F C 0.165 175.978 175.800 0.021 0.000 1.097 97 F CA -0.516 57.495 58.000 0.017 0.000 1.076 97 F CB 1.924 40.937 39.000 0.022 0.000 1.162 97 F HN 0.181 nan 8.300 nan 0.000 0.495 98 V N 2.066 122.092 119.914 0.186 0.000 2.577 98 V HA 0.638 4.757 4.120 -0.000 0.000 0.303 98 V C -0.433 175.731 176.094 0.116 0.000 1.042 98 V CA -0.566 61.805 62.300 0.118 0.000 0.872 98 V CB 1.922 33.780 31.823 0.058 0.000 0.998 98 V HN 0.801 nan 8.190 nan 0.000 0.423 99 T N 2.618 117.230 114.554 0.097 0.000 2.956 99 T HA 0.635 4.985 4.350 -0.000 0.000 0.312 99 T C 0.372 175.101 174.700 0.048 0.000 1.151 99 T CA 0.478 62.621 62.100 0.072 0.000 1.024 99 T CB 1.931 70.847 68.868 0.079 0.000 1.140 99 T HN 0.870 nan 8.240 nan 0.000 0.473 100 A N 2.394 125.234 122.820 0.033 0.000 2.308 100 A HA 0.665 4.984 4.320 -0.000 0.000 0.217 100 A C 1.509 179.102 177.584 0.015 0.000 1.216 100 A CA 0.977 53.027 52.037 0.021 0.000 0.864 100 A CB -1.123 17.885 19.000 0.014 0.000 0.902 100 A HN 1.944 nan 8.150 nan 0.000 0.499 101 G N 0.074 108.885 108.800 0.019 0.000 2.564 101 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.273 101 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.273 101 G C -0.305 174.599 174.900 0.005 0.000 1.242 101 G CA 0.099 45.207 45.100 0.013 0.000 0.951 101 G HN 0.448 nan 8.290 nan 0.000 0.564 102 E N 1.417 121.621 120.200 0.005 0.000 2.345 102 E HA 0.529 4.879 4.350 -0.000 0.000 0.259 102 E C 0.943 177.542 176.600 -0.001 0.000 1.117 102 E CA 0.635 57.039 56.400 0.007 0.000 0.913 102 E CB 0.570 30.283 29.700 0.022 0.000 1.057 102 E HN 2.290 nan 8.360 nan 0.000 0.432 103 G N -0.103 108.698 108.800 0.002 0.000 2.860 103 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.553 103 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.553 103 G C 0.267 175.165 174.900 -0.003 0.000 1.439 103 G CA -0.421 44.678 45.100 -0.002 0.000 0.879 103 G HN 0.715 nan 8.290 nan 0.000 0.545 104 G N -1.386 107.412 108.800 -0.002 0.000 3.019 104 G HA2 1.045 5.005 3.960 -0.000 0.000 0.152 104 G HA3 1.045 5.005 3.960 -0.000 0.000 0.152 104 G C 1.061 175.960 174.900 -0.001 0.000 1.320 104 G CA 1.000 46.099 45.100 -0.002 0.000 1.013 104 G HN 2.791 nan 8.290 nan 0.000 0.593 105 G N -2.002 106.798 108.800 -0.000 0.000 2.500 105 G HA2 0.149 4.109 3.960 -0.000 0.000 0.209 105 G HA3 0.149 4.109 3.960 -0.000 0.000 0.209 105 G C 1.121 176.022 174.900 0.001 0.000 1.283 105 G CA 0.794 45.894 45.100 0.000 0.000 0.960 105 G HN 1.681 nan 8.290 nan 0.000 0.528 106 T N -1.494 113.061 114.554 0.001 0.000 2.833 106 T HA 0.105 4.455 4.350 -0.000 0.000 0.269 106 T C 2.593 177.295 174.700 0.004 0.000 1.054 106 T CA 2.249 64.350 62.100 0.002 0.000 1.135 106 T CB -0.681 68.188 68.868 0.002 0.000 0.869 106 T HN 1.993 nan 8.240 nan 0.000 0.466 107 G N 1.932 110.735 108.800 0.005 0.000 2.450 107 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.220 107 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.220 107 G C 1.863 176.768 174.900 0.008 0.000 1.130 107 G CA 1.607 46.711 45.100 0.008 0.000 0.760 107 G HN 0.705 nan 8.290 nan 0.000 0.557 108 T N -1.618 112.939 114.554 0.005 0.000 2.915 108 T HA 0.109 4.458 4.350 -0.000 0.000 0.269 108 T C 2.372 177.074 174.700 0.003 0.000 1.071 108 T CA 1.511 63.613 62.100 0.004 0.000 1.132 108 T CB -0.256 68.612 68.868 0.000 0.000 0.878 108 T HN 0.206 nan 8.240 nan 0.000 0.479 109 G N 0.936 109.738 108.800 0.003 0.000 2.408 109 G HA2 0.229 4.189 3.960 -0.000 0.000 0.215 109 G HA3 0.229 4.189 3.960 -0.000 0.000 0.215 109 G C 1.660 176.563 174.900 0.004 0.000 1.156 109 G CA 0.401 45.502 45.100 0.003 0.000 0.793 109 G HN 0.611 nan 8.290 nan 0.000 0.535 110 G N 0.896 109.700 108.800 0.006 0.000 2.464 110 G HA2 0.170 4.129 3.960 -0.000 0.000 0.217 110 G HA3 0.170 4.129 3.960 -0.000 0.000 0.217 110 G C 1.958 176.864 174.900 0.010 0.000 1.138 110 G CA 1.326 46.431 45.100 0.008 0.000 0.793 110 G HN 0.557 nan 8.290 nan 0.000 0.539 111 A N 1.823 124.650 122.820 0.012 0.000 1.877 111 A HA 0.041 4.361 4.320 -0.000 0.000 0.216 111 A C 0.713 178.303 177.584 0.011 0.000 1.186 111 A CA 1.868 53.914 52.037 0.015 0.000 0.620 111 A CB -1.161 17.850 19.000 0.018 0.000 0.822 111 A HN 0.359 nan 8.150 nan 0.000 0.443 112 P HA -0.097 nan 4.420 nan 0.000 0.218 112 P C 1.539 178.840 177.300 0.001 0.000 1.148 112 P CA 1.238 64.339 63.100 0.002 0.000 0.822 112 P CB -0.137 31.563 31.700 -0.000 0.000 0.784 113 V N -0.597 119.319 119.914 0.003 0.000 2.358 113 V HA -0.182 3.937 4.120 -0.000 0.000 0.246 113 V C 2.456 178.552 176.094 0.004 0.000 1.047 113 V CA 1.676 63.977 62.300 0.003 0.000 1.035 113 V CB -1.220 30.605 31.823 0.004 0.000 0.658 113 V HN -0.027 nan 8.190 nan 0.000 0.452 114 V N 0.408 120.327 119.914 0.007 0.000 2.343 114 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 114 V C 2.717 178.814 176.094 0.005 0.000 1.051 114 V CA 1.930 64.236 62.300 0.010 0.000 1.036 114 V CB -1.145 30.689 31.823 0.018 0.000 0.654 114 V HN 0.547 nan 8.190 nan 0.000 0.451 115 A N 0.991 123.813 122.820 0.003 0.000 1.877 115 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 115 A C 2.545 180.122 177.584 -0.011 0.000 1.186 115 A CA 2.408 54.441 52.037 -0.006 0.000 0.620 115 A CB -0.845 18.150 19.000 -0.008 0.000 0.822 115 A HN 0.674 nan 8.150 nan 0.000 0.443 116 S N 0.095 115.791 115.700 -0.008 0.000 2.399 116 S HA -0.102 4.367 4.470 -0.000 0.000 0.231 116 S C 1.830 176.425 174.600 -0.008 0.000 1.022 116 S CA 1.382 59.577 58.200 -0.009 0.000 0.983 116 S CB -0.744 62.452 63.200 -0.007 0.000 0.803 116 S HN 0.475 nan 8.310 nan 0.000 0.480 117 I N 2.362 122.929 120.570 -0.005 0.000 2.226 117 I HA -0.155 4.015 4.170 -0.000 0.000 0.245 117 I C 3.053 179.166 176.117 -0.006 0.000 1.100 117 I CA 1.135 62.433 61.300 -0.004 0.000 1.374 117 I CB -0.663 37.337 38.000 -0.001 0.000 1.057 117 I HN 0.399 nan 8.210 nan 0.000 0.413 118 A N 0.651 123.467 122.820 -0.007 0.000 1.902 118 A HA -0.254 4.065 4.320 -0.000 0.000 0.217 118 A C 2.421 179.996 177.584 -0.015 0.000 1.181 118 A CA 1.927 53.958 52.037 -0.011 0.000 0.623 118 A CB -0.602 18.390 19.000 -0.015 0.000 0.818 118 A HN 0.332 nan 8.150 nan 0.000 0.443 119 R N -0.615 119.874 120.500 -0.018 0.000 2.073 119 R HA -0.086 4.254 4.340 -0.000 0.000 0.229 119 R C 2.197 178.487 176.300 -0.015 0.000 1.120 119 R CA 1.649 57.737 56.100 -0.021 0.000 0.967 119 R CB -0.194 30.091 30.300 -0.024 0.000 0.862 119 R HN 0.399 nan 8.270 nan 0.000 0.436 120 K N 0.496 120.888 120.400 -0.012 0.000 2.152 120 K HA -0.090 4.230 4.320 -0.000 0.000 0.206 120 K C 1.665 178.260 176.600 -0.009 0.000 1.048 120 K CA 1.261 57.542 56.287 -0.010 0.000 0.933 120 K CB -0.140 32.355 32.500 -0.008 0.000 0.721 120 K HN 0.203 nan 8.250 nan 0.000 0.447 121 L N -0.977 120.241 121.223 -0.008 0.000 2.551 121 L HA 0.036 4.376 4.340 -0.000 0.000 0.228 121 L C 1.310 178.176 176.870 -0.007 0.000 1.153 121 L CA 0.731 55.567 54.840 -0.008 0.000 0.851 121 L CB -0.222 41.832 42.059 -0.007 0.000 0.959 121 L HN 0.631 nan 8.230 nan 0.000 0.451 122 G N -0.627 108.168 108.800 -0.008 0.000 2.175 122 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.244 122 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.244 122 G C 0.382 175.283 174.900 0.001 0.000 0.982 122 G CA -0.051 45.045 45.100 -0.006 0.000 0.641 122 G HN 0.505 nan 8.290 nan 0.000 0.527 123 A N 0.033 122.852 122.820 -0.001 0.000 2.407 123 A HA 0.680 4.999 4.320 -0.000 0.000 0.248 123 A C 0.555 178.138 177.584 -0.001 0.000 1.082 123 A CA 0.115 52.157 52.037 0.009 0.000 0.785 123 A CB 0.646 19.643 19.000 -0.005 0.000 1.020 123 A HN 1.593 nan 8.150 nan 0.000 0.489 124 L N 2.510 123.749 121.223 0.027 0.000 2.500 124 L HA 0.311 4.650 4.340 -0.000 0.000 0.272 124 L C 0.077 176.889 176.870 -0.096 0.000 1.149 124 L CA 1.105 55.928 54.840 -0.029 0.000 0.897 124 L CB 0.101 42.158 42.059 -0.004 0.000 1.178 124 L HN 0.576 nan 8.230 nan 0.000 0.473 125 T N 5.347 119.832 114.554 -0.115 0.000 2.788 125 T HA 0.497 4.847 4.350 -0.000 0.000 0.296 125 T C -0.490 174.099 174.700 -0.185 0.000 1.009 125 T CA -0.374 61.645 62.100 -0.136 0.000 0.949 125 T CB 0.910 69.733 68.868 -0.077 0.000 0.946 125 T HN 0.339 nan 8.240 nan 0.000 0.453 126 V N 3.334 123.061 119.914 -0.310 0.000 2.350 126 V HA 0.644 4.764 4.120 -0.000 0.000 0.285 126 V C 0.817 176.826 176.094 -0.142 0.000 1.014 126 V CA -0.878 61.227 62.300 -0.325 0.000 0.831 126 V CB 1.538 32.924 31.823 -0.727 0.000 1.000 126 V HN 0.969 nan 8.190 nan 0.000 0.433 127 G N 3.479 112.255 108.800 -0.040 0.000 2.420 127 G HA2 0.567 4.527 3.960 -0.000 0.000 0.284 127 G HA3 0.567 4.527 3.960 -0.000 0.000 0.284 127 G C -0.833 174.114 174.900 0.079 0.000 1.177 127 G CA -0.330 44.789 45.100 0.031 0.000 0.841 127 G HN 0.559 nan 8.290 nan 0.000 0.527 128 V N 1.717 121.695 119.914 0.107 0.000 2.531 128 V HA 0.616 4.735 4.120 -0.000 0.000 0.301 128 V C -0.448 175.678 176.094 0.053 0.000 1.034 128 V CA -0.772 61.586 62.300 0.097 0.000 0.865 128 V CB 1.382 33.283 31.823 0.130 0.000 0.995 128 V HN 0.620 nan 8.190 nan 0.000 0.424 129 V N 4.543 124.474 119.914 0.028 0.000 2.841 129 V HA 0.804 4.924 4.120 -0.000 0.000 0.310 129 V C -0.113 175.973 176.094 -0.013 0.000 1.090 129 V CA -0.078 62.226 62.300 0.007 0.000 0.930 129 V CB 2.952 34.776 31.823 0.001 0.000 1.014 129 V HN 1.050 nan 8.190 nan 0.000 0.425 130 T N 3.804 118.342 114.554 -0.028 0.000 2.859 130 T HA 0.656 5.005 4.350 -0.000 0.000 0.281 130 T C -0.385 174.268 174.700 -0.079 0.000 1.005 130 T CA -0.785 61.278 62.100 -0.061 0.000 1.025 130 T CB 1.288 70.116 68.868 -0.067 0.000 0.977 130 T HN 0.725 nan 8.240 nan 0.000 0.458 131 R N 2.808 123.239 120.500 -0.114 0.000 2.265 131 R HA 0.418 4.758 4.340 -0.000 0.000 0.319 131 R C -2.550 173.631 176.300 -0.199 0.000 1.006 131 R CA -1.956 54.069 56.100 -0.124 0.000 0.880 131 R CB 0.740 30.972 30.300 -0.115 0.000 1.077 131 R HN 0.477 nan 8.270 nan 0.000 0.454 132 P HA -0.054 nan 4.420 nan 0.000 0.271 132 P C -0.475 176.651 177.300 -0.289 0.000 1.233 132 P CA -0.004 62.982 63.100 -0.189 0.000 0.789 132 P CB 0.386 32.039 31.700 -0.078 0.000 0.951 133 F N -0.118 119.649 119.950 -0.306 0.000 2.553 133 F HA -0.020 4.507 4.527 -0.000 0.000 0.356 133 F C 2.136 177.665 175.800 -0.452 0.000 1.142 133 F CA 0.732 58.427 58.000 -0.509 0.000 1.322 133 F CB -0.271 37.991 39.000 -1.230 0.000 1.126 133 F HN 0.262 nan 8.300 nan 0.000 0.599 134 S N 2.077 117.727 115.700 -0.083 0.000 2.399 134 S HA -0.211 4.259 4.470 -0.000 0.000 0.231 134 S C 1.843 176.452 174.600 0.015 0.000 1.022 134 S CA 1.286 59.473 58.200 -0.021 0.000 0.983 134 S CB -0.570 62.653 63.200 0.038 0.000 0.803 134 S HN 0.694 nan 8.310 nan 0.000 0.480 135 F N 1.798 121.819 119.950 0.118 0.000 2.494 135 F HA 0.099 4.625 4.527 -0.000 0.000 0.298 135 F C 1.628 177.479 175.800 0.085 0.000 1.106 135 F CA 0.586 58.624 58.000 0.064 0.000 1.452 135 F CB -0.612 38.385 39.000 -0.005 0.000 1.085 135 F HN 0.133 nan 8.300 nan 0.000 0.569 136 E N 1.195 121.388 120.200 -0.012 0.000 2.427 136 E HA 0.209 4.559 4.350 -0.000 0.000 0.196 136 E C 1.606 178.264 176.600 0.097 0.000 1.028 136 E CA 0.342 56.808 56.400 0.110 0.000 0.864 136 E CB -0.262 29.455 29.700 0.028 0.000 0.813 136 E HN 0.632 nan 8.360 nan 0.000 0.514 137 G N 1.694 110.536 108.800 0.071 0.000 2.584 137 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.229 137 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.229 137 G C -0.485 174.434 174.900 0.030 0.000 1.320 137 G CA -0.127 45.007 45.100 0.056 0.000 0.891 137 G HN 0.138 nan 8.290 nan 0.000 0.573 138 K N -0.137 120.279 120.400 0.027 0.000 2.550 138 K HA 0.432 4.751 4.320 -0.000 0.000 0.252 138 K C -0.151 176.458 176.600 0.015 0.000 0.943 138 K CA -0.958 55.338 56.287 0.015 0.000 0.806 138 K CB 1.111 33.617 32.500 0.010 0.000 1.289 138 K HN 0.598 nan 8.250 nan 0.000 0.435 139 R N 2.124 122.631 120.500 0.011 0.000 2.543 139 R HA 0.307 4.646 4.340 -0.000 0.000 0.268 139 R C 0.367 176.671 176.300 0.006 0.000 1.067 139 R CA -0.642 55.464 56.100 0.010 0.000 1.142 139 R CB 0.545 30.850 30.300 0.009 0.000 1.110 139 R HN 0.635 nan 8.270 nan 0.000 0.549 140 R N 0.014 120.518 120.500 0.006 0.000 2.827 140 R HA -0.047 4.293 4.340 -0.000 0.000 0.269 140 R C 0.029 176.330 176.300 0.002 0.000 1.048 140 R CA 1.105 57.207 56.100 0.004 0.000 1.173 140 R CB 0.321 30.623 30.300 0.004 0.000 1.070 140 R HN 0.804 nan 8.270 nan 0.000 0.498 141 S N 0.702 116.402 115.700 0.001 0.000 2.857 141 S HA -0.211 4.258 4.470 -0.000 0.000 0.268 141 S C 0.225 174.823 174.600 -0.003 0.000 1.297 141 S CA 1.094 59.293 58.200 -0.001 0.000 1.280 141 S CB -1.458 61.742 63.200 -0.001 0.000 1.562 141 S HN 0.982 nan 8.310 nan 0.000 0.661 142 N N 0.357 119.055 118.700 -0.003 0.000 2.747 142 N HA -0.242 4.497 4.740 -0.000 0.000 0.249 142 N C 0.806 176.312 175.510 -0.007 0.000 1.107 142 N CA 1.678 54.725 53.050 -0.005 0.000 0.707 142 N CB -1.313 37.170 38.487 -0.007 0.000 1.054 142 N HN 0.962 nan 8.380 nan 0.000 0.555 143 Q N -1.230 118.567 119.800 -0.005 0.000 2.170 143 Q HA -0.059 4.281 4.340 -0.000 0.000 0.203 143 Q C 1.886 177.882 176.000 -0.007 0.000 0.976 143 Q CA 1.731 57.532 55.803 -0.005 0.000 0.858 143 Q CB -0.248 28.489 28.738 -0.003 0.000 0.907 143 Q HN 0.451 nan 8.270 nan 0.000 0.433 144 A N 1.244 124.058 122.820 -0.009 0.000 1.902 144 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 144 A C 2.009 179.583 177.584 -0.016 0.000 1.181 144 A CA 1.597 53.626 52.037 -0.014 0.000 0.623 144 A CB -0.558 18.431 19.000 -0.019 0.000 0.818 144 A HN 0.486 nan 8.150 nan 0.000 0.443 145 E N 0.604 120.794 120.200 -0.016 0.000 2.106 145 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 145 E C 1.653 178.245 176.600 -0.014 0.000 0.984 145 E CA 1.743 58.133 56.400 -0.017 0.000 0.806 145 E CB -0.462 29.227 29.700 -0.017 0.000 0.750 145 E HN 0.774 nan 8.360 nan 0.000 0.458 146 N N -0.656 118.037 118.700 -0.011 0.000 2.223 146 N HA -0.096 4.643 4.740 -0.000 0.000 0.185 146 N C 1.836 177.341 175.510 -0.008 0.000 1.016 146 N CA 0.934 53.978 53.050 -0.009 0.000 0.863 146 N CB -0.288 38.194 38.487 -0.007 0.000 0.983 146 N HN 0.255 nan 8.380 nan 0.000 0.429 147 G N 1.215 110.010 108.800 -0.008 0.000 2.418 147 G HA2 -0.174 3.785 3.960 -0.000 0.000 0.217 147 G HA3 -0.174 3.785 3.960 -0.000 0.000 0.217 147 G C 1.469 176.365 174.900 -0.007 0.000 1.158 147 G CA 0.435 45.532 45.100 -0.007 0.000 0.771 147 G HN 0.189 nan 8.290 nan 0.000 0.545 148 I N 1.352 121.916 120.570 -0.011 0.000 2.179 148 I HA -0.197 3.973 4.170 -0.000 0.000 0.242 148 I C 3.317 179.428 176.117 -0.011 0.000 1.088 148 I CA 1.076 62.369 61.300 -0.011 0.000 1.357 148 I CB -0.232 37.758 38.000 -0.016 0.000 1.051 148 I HN 0.249 nan 8.210 nan 0.000 0.409 149 A N 0.675 123.488 122.820 -0.012 0.000 1.902 149 A HA -0.195 4.124 4.320 -0.000 0.000 0.217 149 A C 2.534 180.112 177.584 -0.010 0.000 1.181 149 A CA 1.968 53.998 52.037 -0.012 0.000 0.623 149 A CB -0.912 18.080 19.000 -0.013 0.000 0.818 149 A HN 0.450 nan 8.150 nan 0.000 0.443 150 A N -0.759 122.056 122.820 -0.008 0.000 1.902 150 A HA -0.052 4.267 4.320 -0.000 0.000 0.217 150 A C 2.120 179.700 177.584 -0.006 0.000 1.181 150 A CA 1.799 53.832 52.037 -0.006 0.000 0.623 150 A CB -0.592 18.405 19.000 -0.005 0.000 0.818 150 A HN 0.566 nan 8.150 nan 0.000 0.443 151 L N -0.377 120.843 121.223 -0.005 0.000 2.093 151 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 151 L C 2.418 179.283 176.870 -0.008 0.000 1.085 151 L CA 1.940 56.778 54.840 -0.004 0.000 0.755 151 L CB -0.713 41.346 42.059 -0.000 0.000 0.904 151 L HN 0.438 nan 8.230 nan 0.000 0.435 152 R N -0.257 120.238 120.500 -0.009 0.000 2.080 152 R HA -0.195 4.145 4.340 -0.000 0.000 0.236 152 R C 2.086 178.379 176.300 -0.011 0.000 1.137 152 R CA 1.962 58.056 56.100 -0.010 0.000 0.943 152 R CB -0.248 30.045 30.300 -0.011 0.000 0.846 152 R HN 0.475 nan 8.270 nan 0.000 0.431 153 E N -0.711 119.483 120.200 -0.010 0.000 2.273 153 E HA -0.168 4.182 4.350 -0.000 0.000 0.198 153 E C 1.486 178.079 176.600 -0.012 0.000 1.002 153 E CA 1.156 57.550 56.400 -0.010 0.000 0.828 153 E CB 0.010 29.704 29.700 -0.009 0.000 0.747 153 E HN 0.180 nan 8.360 nan 0.000 0.491 154 S N -1.053 114.639 115.700 -0.012 0.000 2.526 154 S HA 0.084 4.553 4.470 -0.000 0.000 0.220 154 S C 0.334 174.922 174.600 -0.020 0.000 1.017 154 S CA -0.434 57.758 58.200 -0.014 0.000 0.930 154 S CB 0.381 63.575 63.200 -0.010 0.000 0.856 154 S HN 0.161 nan 8.310 nan 0.000 0.497 155 C N 1.417 120.703 119.300 -0.024 0.000 2.401 155 C HA 0.510 4.970 4.460 -0.000 0.000 0.356 155 C C 1.439 176.404 174.990 -0.042 0.000 1.192 155 C CA -0.838 58.158 59.018 -0.037 0.000 2.028 155 C CB 1.410 29.128 27.740 -0.037 0.000 2.344 155 C HN 0.467 nan 8.230 nan 0.000 0.525 156 D N 0.479 120.844 120.400 -0.059 0.000 2.085 156 D HA -0.019 4.621 4.640 -0.000 0.000 0.199 156 D C 0.376 176.642 176.300 -0.056 0.000 0.981 156 D CA 1.553 55.517 54.000 -0.061 0.000 0.834 156 D CB 0.105 40.856 40.800 -0.081 0.000 0.992 156 D HN 0.550 nan 8.370 nan 0.000 0.457 157 T N 0.811 115.324 114.554 -0.068 0.000 2.848 157 T HA 0.428 4.778 4.350 -0.000 0.000 0.285 157 T C -0.746 173.931 174.700 -0.038 0.000 0.995 157 T CA -0.590 61.480 62.100 -0.049 0.000 0.970 157 T CB 2.313 71.148 68.868 -0.055 0.000 0.976 157 T HN -0.142 nan 8.240 nan 0.000 0.441 158 L N 4.777 125.991 121.223 -0.016 0.000 2.294 158 L HA 0.598 4.937 4.340 -0.000 0.000 0.283 158 L C -0.880 175.997 176.870 0.012 0.000 1.015 158 L CA -0.551 54.288 54.840 -0.002 0.000 0.831 158 L CB 0.331 42.388 42.059 -0.003 0.000 1.217 158 L HN 0.632 nan 8.230 nan 0.000 0.420 159 I N 5.987 126.575 120.570 0.031 0.000 2.337 159 I HA 0.244 4.413 4.170 -0.000 0.000 0.291 159 I C -0.400 175.732 176.117 0.026 0.000 1.046 159 I CA -0.420 60.904 61.300 0.039 0.000 1.324 159 I CB 1.076 39.119 38.000 0.073 0.000 1.409 159 I HN 0.265 nan 8.210 nan 0.000 0.494 160 V N 8.181 128.101 119.914 0.010 0.000 2.394 160 V HA 0.383 4.503 4.120 -0.000 0.000 0.282 160 V C 0.158 176.244 176.094 -0.014 0.000 1.031 160 V CA -0.443 61.854 62.300 -0.006 0.000 0.881 160 V CB 1.667 33.482 31.823 -0.013 0.000 0.982 160 V HN 0.472 nan 8.190 nan 0.000 0.451 161 I N 7.736 128.288 120.570 -0.029 0.000 2.371 161 I HA 0.329 4.499 4.170 -0.000 0.000 0.282 161 I C -2.319 173.745 176.117 -0.088 0.000 1.031 161 I CA -1.837 59.435 61.300 -0.046 0.000 1.180 161 I CB 2.080 40.057 38.000 -0.039 0.000 1.336 161 I HN 0.431 nan 8.210 nan 0.000 0.467 162 P HA 0.202 nan 4.420 nan 0.000 0.280 162 P C -0.173 177.011 177.300 -0.193 0.000 1.386 162 P CA -0.294 62.731 63.100 -0.125 0.000 0.899 162 P CB 0.780 32.434 31.700 -0.078 0.000 1.098 163 N N 2.427 120.911 118.700 -0.359 0.000 2.205 163 N HA -0.150 4.590 4.740 -0.000 0.000 0.186 163 N C 1.064 176.254 175.510 -0.533 0.000 1.015 163 N CA 1.190 53.845 53.050 -0.659 0.000 0.862 163 N CB -0.430 37.232 38.487 -1.375 0.000 0.986 163 N HN 0.378 nan 8.380 nan 0.000 0.429 164 D N 0.627 120.845 120.400 -0.304 0.000 2.172 164 D HA -0.144 4.496 4.640 -0.000 0.000 0.196 164 D C 1.735 178.072 176.300 0.062 0.000 0.999 164 D CA 0.800 54.803 54.000 0.005 0.000 0.856 164 D CB -0.007 40.793 40.800 0.001 0.000 0.934 164 D HN 0.178 nan 8.370 nan 0.000 0.453 165 R N 0.168 120.667 120.500 -0.002 0.000 2.237 165 R HA 0.013 4.353 4.340 -0.000 0.000 0.219 165 R C 2.390 178.722 176.300 0.054 0.000 1.080 165 R CA 0.069 56.184 56.100 0.024 0.000 0.995 165 R CB -0.616 29.684 30.300 -0.000 0.000 0.875 165 R HN 0.356 nan 8.270 nan 0.000 0.462 166 L N 0.402 121.673 121.223 0.081 0.000 2.191 166 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 166 L C 2.044 178.998 176.870 0.141 0.000 1.103 166 L CA 0.909 55.824 54.840 0.126 0.000 0.769 166 L CB -0.451 41.728 42.059 0.199 0.000 0.908 166 L HN 0.093 nan 8.230 nan 0.000 0.438 167 L N -0.511 120.815 121.223 0.171 0.000 2.551 167 L HA -0.130 4.210 4.340 -0.000 0.000 0.228 167 L C 1.299 178.211 176.870 0.071 0.000 1.153 167 L CA 0.650 55.562 54.840 0.120 0.000 0.851 167 L CB -0.319 41.824 42.059 0.139 0.000 0.959 167 L HN 0.405 nan 8.230 nan 0.000 0.451 168 Q N -0.759 119.079 119.800 0.064 0.000 2.175 168 Q HA 0.333 4.673 4.340 -0.000 0.000 0.225 168 Q C 0.037 176.059 176.000 0.038 0.000 0.837 168 Q CA -0.100 55.729 55.803 0.043 0.000 1.032 168 Q CB 0.803 29.564 28.738 0.038 0.000 1.137 168 Q HN 0.419 nan 8.270 nan 0.000 0.483 175 S N 4.366 120.008 115.700 -0.097 0.000 2.686 175 S HA 0.592 5.062 4.470 -0.000 0.000 0.270 175 S C 0.853 175.322 174.600 -0.218 0.000 1.194 175 S CA -0.155 57.963 58.200 -0.136 0.000 0.990 175 S CB 1.479 64.623 63.200 -0.094 0.000 1.029 175 S HN 0.789 nan 8.310 nan 0.000 0.560 176 L N 0.288 121.344 121.223 -0.278 0.000 2.056 176 L HA 0.093 4.433 4.340 -0.000 0.000 0.207 176 L C 2.327 178.993 176.870 -0.340 0.000 1.078 176 L CA 1.845 56.417 54.840 -0.448 0.000 0.749 176 L CB -1.050 40.764 42.059 -0.407 0.000 0.901 176 L HN 0.791 nan 8.230 nan 0.000 0.433 177 M N -0.727 118.811 119.600 -0.104 0.000 2.132 177 M HA -0.163 4.317 4.480 -0.000 0.000 0.263 177 M C 1.849 178.169 176.300 0.033 0.000 1.065 177 M CA 1.429 56.758 55.300 0.048 0.000 1.122 177 M CB -0.762 31.866 32.600 0.048 0.000 1.365 177 M HN 0.161 nan 8.290 nan 0.000 0.411 178 D N 0.221 120.604 120.400 -0.029 0.000 2.117 178 D HA -0.114 4.526 4.640 -0.000 0.000 0.197 178 D C 2.061 178.361 176.300 0.000 0.000 0.987 178 D CA 1.740 55.737 54.000 -0.006 0.000 0.829 178 D CB -0.267 40.519 40.800 -0.023 0.000 0.961 178 D HN 0.373 nan 8.370 nan 0.000 0.460 179 A N 0.461 123.210 122.820 -0.118 0.000 1.877 179 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 179 A C 2.208 179.838 177.584 0.076 0.000 1.186 179 A CA 1.070 53.028 52.037 -0.132 0.000 0.620 179 A CB -1.152 17.512 19.000 -0.559 0.000 0.822 179 A HN 0.211 nan 8.150 nan 0.000 0.443 180 F N -0.423 119.585 119.950 0.096 0.000 2.171 180 F HA -0.169 4.358 4.527 -0.001 0.000 0.300 180 F C 2.760 178.642 175.800 0.138 0.000 1.090 180 F CA 1.195 59.296 58.000 0.168 0.000 1.293 180 F CB -0.123 38.941 39.000 0.106 0.000 1.013 180 F HN 0.133 nan 8.300 nan 0.000 0.486 181 R N -0.112 120.549 120.500 0.267 0.000 2.075 181 R HA -0.097 4.243 4.340 -0.000 0.000 0.232 181 R C 2.306 178.693 176.300 0.145 0.000 1.126 181 R CA 1.439 57.639 56.100 0.167 0.000 0.963 181 R CB -0.608 29.758 30.300 0.111 0.000 0.858 181 R HN 0.161 nan 8.270 nan 0.000 0.435 182 S N 1.208 116.997 115.700 0.149 0.000 2.359 182 S HA -0.193 4.277 4.470 -0.000 0.000 0.224 182 S C 2.162 176.848 174.600 0.142 0.000 1.035 182 S CA 1.372 59.651 58.200 0.131 0.000 1.018 182 S CB -0.293 62.989 63.200 0.138 0.000 0.876 182 S HN 0.478 nan 8.310 nan 0.000 0.448 183 A N 2.231 125.181 122.820 0.217 0.000 1.883 183 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 183 A C 1.864 179.515 177.584 0.112 0.000 1.186 183 A CA 1.913 54.052 52.037 0.171 0.000 0.624 183 A CB -0.799 18.372 19.000 0.284 0.000 0.822 183 A HN 0.382 nan 8.150 nan 0.000 0.444 184 D N -0.439 120.038 120.400 0.128 0.000 2.117 184 D HA -0.124 4.516 4.640 -0.000 0.000 0.197 184 D C 1.964 178.295 176.300 0.051 0.000 0.987 184 D CA 1.505 55.552 54.000 0.078 0.000 0.829 184 D CB -0.403 40.443 40.800 0.075 0.000 0.961 184 D HN 0.671 nan 8.370 nan 0.000 0.460 185 E N 0.282 120.517 120.200 0.057 0.000 2.051 185 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 185 E C 2.385 179.003 176.600 0.029 0.000 0.991 185 E CA 1.288 57.712 56.400 0.039 0.000 0.799 185 E CB -0.008 29.718 29.700 0.043 0.000 0.748 185 E HN 0.259 nan 8.360 nan 0.000 0.449 186 V N 0.006 119.941 119.914 0.035 0.000 2.427 186 V HA -0.177 3.942 4.120 -0.000 0.000 0.248 186 V C 2.265 178.368 176.094 0.015 0.000 1.051 186 V CA 1.271 63.585 62.300 0.023 0.000 1.048 186 V CB -0.592 31.245 31.823 0.023 0.000 0.666 186 V HN 0.146 nan 8.190 nan 0.000 0.456 187 L N 0.344 121.577 121.223 0.017 0.000 1.989 187 L HA -0.116 4.224 4.340 -0.000 0.000 0.211 187 L C 2.396 179.267 176.870 0.001 0.000 1.071 187 L CA 2.542 57.389 54.840 0.011 0.000 0.749 187 L CB -0.813 41.256 42.059 0.015 0.000 0.890 187 L HN 0.400 nan 8.230 nan 0.000 0.431 188 L N -0.186 121.037 121.223 -0.000 0.000 2.042 188 L HA -0.283 4.056 4.340 -0.000 0.000 0.210 188 L C 2.454 179.307 176.870 -0.028 0.000 1.076 188 L CA 2.039 56.871 54.840 -0.014 0.000 0.749 188 L CB -0.661 41.393 42.059 -0.008 0.000 0.893 188 L HN 0.536 nan 8.230 nan 0.000 0.432 189 N N -0.253 118.438 118.700 -0.014 0.000 2.289 189 N HA -0.157 4.583 4.740 -0.000 0.000 0.184 189 N C 1.732 177.230 175.510 -0.021 0.000 1.016 189 N CA 1.088 54.128 53.050 -0.017 0.000 0.872 189 N CB -0.086 38.400 38.487 -0.001 0.000 0.973 189 N HN 0.534 nan 8.380 nan 0.000 0.433 190 G N 0.375 109.169 108.800 -0.010 0.000 2.485 190 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.221 190 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.221 190 G C 1.554 176.440 174.900 -0.023 0.000 1.115 190 G CA 0.859 45.967 45.100 0.014 0.000 0.751 190 G HN 0.250 nan 8.290 nan 0.000 0.567 191 V N -0.563 119.258 119.914 -0.155 0.000 2.521 191 V HA -0.011 4.109 4.120 -0.000 0.000 0.239 191 V C 2.512 178.403 176.094 -0.338 0.000 1.053 191 V CA 1.512 63.528 62.300 -0.473 0.000 1.073 191 V CB -0.252 31.274 31.823 -0.494 0.000 0.746 191 V HN 0.405 nan 8.190 nan 0.000 0.476 192 Q N 0.623 120.320 119.800 -0.172 0.000 2.084 192 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 192 Q C 2.176 178.139 176.000 -0.062 0.000 0.978 192 Q CA 2.041 57.782 55.803 -0.102 0.000 0.844 192 Q CB -0.487 28.221 28.738 -0.050 0.000 0.898 192 Q HN 0.644 nan 8.270 nan 0.000 0.426 193 G N 1.040 109.816 108.800 -0.041 0.000 2.469 193 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.219 193 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.219 193 G C 1.364 176.263 174.900 -0.002 0.000 1.150 193 G CA 1.111 46.201 45.100 -0.016 0.000 0.763 193 G HN 0.383 nan 8.290 nan 0.000 0.561 194 I N 1.108 121.694 120.570 0.025 0.000 2.277 194 I HA -0.101 4.069 4.170 -0.000 0.000 0.243 194 I C 3.240 179.409 176.117 0.087 0.000 1.094 194 I CA 1.621 62.975 61.300 0.091 0.000 1.393 194 I CB -0.583 37.557 38.000 0.234 0.000 1.078 194 I HN 0.327 nan 8.210 nan 0.000 0.417 195 T N -1.814 112.756 114.554 0.027 0.000 2.746 195 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 195 T C 1.573 176.277 174.700 0.006 0.000 1.039 195 T CA 1.514 63.626 62.100 0.021 0.000 1.142 195 T CB -0.495 68.321 68.868 -0.085 0.000 0.866 195 T HN 0.143 nan 8.240 nan 0.000 0.444 196 D N 1.162 121.553 120.400 -0.015 0.000 2.149 196 D HA -0.035 4.605 4.640 -0.000 0.000 0.198 196 D C 1.974 178.269 176.300 -0.008 0.000 0.990 196 D CA 0.633 54.625 54.000 -0.014 0.000 0.839 196 D CB -0.548 40.240 40.800 -0.020 0.000 0.948 196 D HN 0.287 nan 8.370 nan 0.000 0.460 197 L N 0.561 121.781 121.223 -0.005 0.000 2.042 197 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 197 L C 2.029 178.909 176.870 0.017 0.000 1.076 197 L CA 1.462 56.295 54.840 -0.013 0.000 0.749 197 L CB -0.380 41.669 42.059 -0.016 0.000 0.893 197 L HN 0.030 nan 8.230 nan 0.000 0.432 198 I N -1.361 119.239 120.570 0.050 0.000 2.406 198 I HA -0.186 3.984 4.170 -0.000 0.000 0.249 198 I C 2.151 178.288 176.117 0.033 0.000 1.122 198 I CA 1.457 62.801 61.300 0.074 0.000 1.431 198 I CB -0.531 37.548 38.000 0.131 0.000 1.087 198 I HN 0.430 nan 8.210 nan 0.000 0.424 199 T N -3.657 110.904 114.554 0.012 0.000 3.040 199 T HA 0.095 4.444 4.350 -0.000 0.000 0.252 199 T C 0.823 175.520 174.700 -0.005 0.000 1.064 199 T CA 0.188 62.284 62.100 -0.007 0.000 1.110 199 T CB -0.180 68.674 68.868 -0.023 0.000 0.921 199 T HN 0.030 nan 8.240 nan 0.000 0.480 200 T N 4.211 118.763 114.554 -0.003 0.000 2.791 200 T HA 0.544 4.893 4.350 -0.000 0.000 0.288 200 T C -2.907 171.792 174.700 -0.002 0.000 0.999 200 T CA -1.369 60.729 62.100 -0.004 0.000 0.952 200 T CB 1.632 70.496 68.868 -0.006 0.000 0.938 200 T HN 0.077 nan 8.240 nan 0.000 0.444 201 P HA 0.408 nan 4.420 nan 0.000 0.268 201 P C 0.142 177.442 177.300 0.000 0.000 1.205 201 P CA 0.031 63.134 63.100 0.005 0.000 0.771 201 P CB 0.626 32.331 31.700 0.009 0.000 0.858 202 G N 0.740 109.539 108.800 -0.001 0.000 2.949 202 G HA2 0.330 4.290 3.960 -0.000 0.000 0.285 202 G HA3 0.330 4.290 3.960 -0.000 0.000 0.285 202 G C 0.160 175.067 174.900 0.012 0.000 1.395 202 G CA -0.663 44.437 45.100 -0.001 0.000 0.901 202 G HN 0.479 nan 8.290 nan 0.000 0.519 203 L N -0.368 120.868 121.223 0.021 0.000 2.012 203 L HA 0.152 4.492 4.340 -0.000 0.000 0.210 203 L C 0.819 177.717 176.870 0.046 0.000 1.073 203 L CA 1.447 56.309 54.840 0.037 0.000 0.748 203 L CB -0.251 41.838 42.059 0.051 0.000 0.891 203 L HN 0.295 nan 8.230 nan 0.000 0.431 204 I N 1.434 122.033 120.570 0.048 0.000 2.307 204 I HA 0.251 4.421 4.170 -0.000 0.000 0.289 204 I C -0.432 175.698 176.117 0.021 0.000 1.021 204 I CA -0.329 61.010 61.300 0.065 0.000 1.224 204 I CB 0.156 38.242 38.000 0.143 0.000 1.376 204 I HN 0.187 nan 8.210 nan 0.000 0.470 205 N N 5.111 123.832 118.700 0.034 0.000 2.443 205 N HA 0.610 5.350 4.740 -0.000 0.000 0.293 205 N C -0.353 175.180 175.510 0.038 0.000 1.159 205 N CA -0.376 52.689 53.050 0.026 0.000 0.904 205 N CB 3.067 41.574 38.487 0.033 0.000 1.214 205 N HN 0.408 nan 8.380 nan 0.000 0.513 206 V N -1.929 118.008 119.914 0.038 0.000 2.881 206 V HA 0.512 4.631 4.120 -0.000 0.000 0.316 206 V C -0.294 175.842 176.094 0.070 0.000 1.070 206 V CA -0.917 61.412 62.300 0.048 0.000 0.976 206 V CB 1.957 33.800 31.823 0.034 0.000 1.038 206 V HN 0.475 nan 8.190 nan 0.000 0.446 207 D N 1.573 122.012 120.400 0.065 0.000 2.313 207 D HA 0.224 4.864 4.640 -0.000 0.000 0.239 207 D C 0.528 176.879 176.300 0.086 0.000 1.142 207 D CA -0.592 53.457 54.000 0.081 0.000 0.847 207 D CB 1.045 41.877 40.800 0.054 0.000 1.082 207 D HN 0.587 nan 8.370 nan 0.000 0.480 208 F N 4.439 124.388 119.950 -0.002 0.000 2.192 208 F HA -0.215 4.311 4.527 -0.000 0.000 0.301 208 F C 1.846 177.632 175.800 -0.023 0.000 1.079 208 F CA 1.835 59.826 58.000 -0.014 0.000 1.303 208 F CB -0.004 38.980 39.000 -0.026 0.000 1.024 208 F HN 0.466 nan 8.300 nan 0.000 0.494 209 A N -0.021 122.730 122.820 -0.114 0.000 1.972 209 A HA -0.168 4.151 4.320 -0.000 0.000 0.219 209 A C 1.920 179.374 177.584 -0.218 0.000 1.169 209 A CA 1.848 53.767 52.037 -0.196 0.000 0.635 209 A CB -0.840 18.134 19.000 -0.044 0.000 0.810 209 A HN 0.450 nan 8.150 nan 0.000 0.446 210 D N -0.146 120.169 120.400 -0.141 0.000 2.117 210 D HA -0.080 4.560 4.640 -0.000 0.000 0.198 210 D C 2.060 178.267 176.300 -0.155 0.000 0.982 210 D CA 1.294 55.228 54.000 -0.110 0.000 0.828 210 D CB -0.598 40.175 40.800 -0.046 0.000 0.967 210 D HN 0.226 nan 8.370 nan 0.000 0.464 211 V N 1.098 120.887 119.914 -0.209 0.000 2.287 211 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 211 V C 2.465 178.363 176.094 -0.327 0.000 1.053 211 V CA 1.735 63.895 62.300 -0.233 0.000 1.027 211 V CB -0.461 31.224 31.823 -0.229 0.000 0.646 211 V HN 0.160 nan 8.190 nan 0.000 0.447 212 K N 0.030 120.096 120.400 -0.556 0.000 2.097 212 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 212 K C 2.179 178.626 176.600 -0.254 0.000 1.049 212 K CA 1.489 57.493 56.287 -0.472 0.000 0.933 212 K CB -0.577 31.555 32.500 -0.612 0.000 0.717 212 K HN 0.518 nan 8.250 nan 0.000 0.442 213 G N 1.216 109.888 108.800 -0.213 0.000 2.421 213 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.216 213 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.216 213 G C 1.458 176.294 174.900 -0.107 0.000 1.171 213 G CA 0.773 45.793 45.100 -0.132 0.000 0.775 213 G HN 0.352 nan 8.290 nan 0.000 0.543 214 I N -0.124 120.381 120.570 -0.107 0.000 2.617 214 I HA 0.080 4.249 4.170 -0.000 0.000 0.256 214 I C 2.518 178.589 176.117 -0.077 0.000 1.167 214 I CA 0.694 61.947 61.300 -0.078 0.000 1.469 214 I CB 0.148 38.114 38.000 -0.058 0.000 1.098 214 I HN 0.164 nan 8.210 nan 0.000 0.436 215 M N -0.935 118.604 119.600 -0.102 0.000 2.534 215 M HA 0.093 4.572 4.480 -0.000 0.000 0.263 215 M C 0.835 177.080 176.300 -0.092 0.000 1.152 215 M CA 0.067 55.311 55.300 -0.093 0.000 1.145 215 M CB 0.195 32.729 32.600 -0.110 0.000 1.333 215 M HN -0.056 nan 8.290 nan 0.000 0.477 216 S N 1.244 116.882 115.700 -0.103 0.000 2.544 216 S HA 0.218 4.688 4.470 -0.000 0.000 0.290 216 S C 1.218 175.781 174.600 -0.062 0.000 1.276 216 S CA 0.694 58.843 58.200 -0.085 0.000 1.075 216 S CB 0.237 63.385 63.200 -0.088 0.000 0.849 216 S HN 0.735 nan 8.310 nan 0.000 0.494 217 G N 2.507 111.276 108.800 -0.051 0.000 2.186 217 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.266 217 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.266 217 G C 0.958 175.841 174.900 -0.029 0.000 0.982 217 G CA 0.577 45.655 45.100 -0.036 0.000 0.670 217 G HN 1.035 nan 8.290 nan 0.000 0.533 218 A N -0.688 122.111 122.820 -0.035 0.000 2.015 218 A HA 0.476 4.796 4.320 -0.000 0.000 0.219 218 A C 2.718 180.299 177.584 -0.003 0.000 1.163 218 A CA 2.171 54.193 52.037 -0.024 0.000 0.646 218 A CB -0.483 18.498 19.000 -0.032 0.000 0.806 218 A HN 2.678 nan 8.150 nan 0.000 0.448 219 G N -1.942 106.854 108.800 -0.007 0.000 2.488 219 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.237 219 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.237 219 G C 0.084 174.986 174.900 0.003 0.000 1.209 219 G CA -0.132 44.969 45.100 0.003 0.000 0.929 219 G HN 0.794 nan 8.290 nan 0.000 0.578 220 T N 1.560 116.121 114.554 0.011 0.000 2.901 220 T HA 0.590 4.940 4.350 -0.000 0.000 0.301 220 T C 0.646 175.355 174.700 0.015 0.000 1.012 220 T CA 1.118 63.223 62.100 0.008 0.000 1.135 220 T CB 1.004 69.874 68.868 0.003 0.000 0.936 220 T HN 1.793 nan 8.240 nan 0.000 0.539 221 A N 3.383 126.211 122.820 0.014 0.000 2.423 221 A HA 0.874 5.194 4.320 -0.000 0.000 0.304 221 A C -0.961 176.635 177.584 0.019 0.000 1.104 221 A CA -0.816 51.232 52.037 0.019 0.000 0.757 221 A CB 1.154 20.166 19.000 0.020 0.000 1.313 221 A HN 0.770 nan 8.150 nan 0.000 0.423 222 L N 0.808 122.044 121.223 0.022 0.000 2.301 222 L HA 0.714 5.054 4.340 -0.000 0.000 0.264 222 L C -0.224 176.661 176.870 0.025 0.000 1.016 222 L CA -0.490 54.361 54.840 0.019 0.000 0.821 222 L CB 2.165 44.234 42.059 0.015 0.000 1.346 222 L HN 0.844 nan 8.230 nan 0.000 0.429 223 M N 0.351 119.964 119.600 0.022 0.000 2.464 223 M HA 0.712 5.192 4.480 -0.000 0.000 0.308 223 M C -0.872 175.442 176.300 0.022 0.000 1.127 223 M CA -0.355 54.960 55.300 0.026 0.000 0.913 223 M CB 2.232 34.848 32.600 0.027 0.000 1.689 223 M HN 0.623 nan 8.290 nan 0.000 0.445 224 G N 4.588 113.403 108.800 0.025 0.000 2.524 224 G HA2 0.742 4.701 3.960 -0.000 0.000 0.310 224 G HA3 0.742 4.701 3.960 -0.000 0.000 0.310 224 G C -1.449 173.466 174.900 0.025 0.000 1.279 224 G CA -0.825 44.290 45.100 0.025 0.000 0.974 224 G HN 0.958 nan 8.290 nan 0.000 0.484 225 I N -0.871 119.713 120.570 0.024 0.000 2.934 225 I HA 1.005 5.175 4.170 -0.000 0.000 0.306 225 I C -0.073 176.058 176.117 0.024 0.000 1.110 225 I CA -1.324 59.990 61.300 0.022 0.000 1.019 225 I CB 2.773 40.785 38.000 0.020 0.000 1.227 225 I HN 0.812 nan 8.210 nan 0.000 0.434 226 G N 1.501 110.315 108.800 0.023 0.000 2.755 226 G HA2 0.552 4.511 3.960 -0.000 0.000 0.297 226 G HA3 0.552 4.511 3.960 -0.000 0.000 0.297 226 G C -1.994 172.920 174.900 0.023 0.000 1.441 226 G CA -0.507 44.607 45.100 0.024 0.000 0.964 226 G HN 0.771 nan 8.290 nan 0.000 0.540 227 S N -0.563 115.150 115.700 0.022 0.000 2.541 227 S HA 0.955 5.425 4.470 -0.000 0.000 0.280 227 S C -0.371 174.241 174.600 0.021 0.000 1.112 227 S CA 0.337 58.549 58.200 0.021 0.000 0.925 227 S CB 1.626 64.837 63.200 0.019 0.000 1.067 227 S HN 2.218 nan 8.310 nan 0.000 0.479 228 A N 3.569 126.402 122.820 0.022 0.000 2.601 228 A HA 0.872 5.192 4.320 -0.000 0.000 0.291 228 A C -1.347 176.251 177.584 0.023 0.000 1.075 228 A CA -0.856 51.195 52.037 0.022 0.000 0.671 228 A CB 1.403 20.418 19.000 0.025 0.000 1.277 228 A HN 0.783 nan 8.150 nan 0.000 0.417 229 R N -0.359 120.155 120.500 0.022 0.000 2.837 229 R HA 0.693 5.032 4.340 -0.000 0.000 0.271 229 R C 0.801 177.115 176.300 0.024 0.000 0.993 229 R CA -0.040 56.073 56.100 0.022 0.000 0.931 229 R CB 1.860 32.171 30.300 0.019 0.000 1.206 229 R HN 2.199 nan 8.270 nan 0.000 0.474 230 G N 1.467 110.282 108.800 0.024 0.000 2.629 230 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.313 230 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.313 230 G C -0.278 174.640 174.900 0.031 0.000 1.217 230 G CA 0.549 45.664 45.100 0.025 0.000 0.994 230 G HN 0.558 nan 8.290 nan 0.000 0.549 231 E N 2.180 122.398 120.200 0.029 0.000 2.257 231 E HA 0.479 4.829 4.350 -0.000 0.000 0.278 231 E C 1.140 177.763 176.600 0.038 0.000 1.049 231 E CA 1.398 57.819 56.400 0.034 0.000 0.876 231 E CB 0.038 29.755 29.700 0.028 0.000 1.035 231 E HN 2.191 nan 8.360 nan 0.000 0.419 232 G N 5.085 113.914 108.800 0.049 0.000 2.179 232 G HA2 -0.409 3.550 3.960 -0.000 0.000 0.257 232 G HA3 -0.409 3.550 3.960 -0.000 0.000 0.257 232 G C 1.087 176.012 174.900 0.042 0.000 1.010 232 G CA 0.871 46.001 45.100 0.051 0.000 0.736 232 G HN 0.689 nan 8.290 nan 0.000 0.513 233 R N -0.209 120.316 120.500 0.041 0.000 2.091 233 R HA -0.056 4.283 4.340 -0.000 0.000 0.238 233 R C 2.238 178.560 176.300 0.037 0.000 1.136 233 R CA 2.040 58.161 56.100 0.036 0.000 0.959 233 R CB -0.777 29.544 30.300 0.035 0.000 0.856 233 R HN 0.303 nan 8.270 nan 0.000 0.437 234 S N 1.272 116.998 115.700 0.042 0.000 2.368 234 S HA 0.018 4.488 4.470 -0.000 0.000 0.224 234 S C 1.991 176.612 174.600 0.035 0.000 1.029 234 S CA 1.026 59.253 58.200 0.044 0.000 0.988 234 S CB -0.189 63.042 63.200 0.051 0.000 0.838 234 S HN 0.235 nan 8.310 nan 0.000 0.462 235 L N 1.106 122.342 121.223 0.023 0.000 2.056 235 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 235 L C 2.487 179.369 176.870 0.020 0.000 1.078 235 L CA 1.052 55.899 54.840 0.012 0.000 0.749 235 L CB -0.343 41.719 42.059 0.005 0.000 0.901 235 L HN 0.200 nan 8.230 nan 0.000 0.433 236 K N 0.075 120.490 120.400 0.024 0.000 2.002 236 K HA -0.129 4.191 4.320 -0.000 0.000 0.209 236 K C 2.142 178.757 176.600 0.025 0.000 1.048 236 K CA 1.572 57.874 56.287 0.024 0.000 0.930 236 K CB -0.640 31.875 32.500 0.024 0.000 0.714 236 K HN 0.257 nan 8.250 nan 0.000 0.438 237 A N 1.532 124.369 122.820 0.029 0.000 1.908 237 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 237 A C 2.431 180.035 177.584 0.034 0.000 1.181 237 A CA 2.294 54.349 52.037 0.030 0.000 0.627 237 A CB -0.646 18.372 19.000 0.031 0.000 0.818 237 A HN 0.337 nan 8.150 nan 0.000 0.445 238 A N -0.470 122.373 122.820 0.039 0.000 1.898 238 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 238 A C 1.973 179.578 177.584 0.035 0.000 1.181 238 A CA 2.029 54.094 52.037 0.046 0.000 0.620 238 A CB -0.488 18.545 19.000 0.055 0.000 0.819 238 A HN 0.558 nan 8.150 nan 0.000 0.442 239 E N 0.161 120.377 120.200 0.026 0.000 2.077 239 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 239 E C 1.707 178.320 176.600 0.022 0.000 0.989 239 E CA 1.408 57.821 56.400 0.021 0.000 0.800 239 E CB -0.354 29.356 29.700 0.016 0.000 0.746 239 E HN 0.643 nan 8.360 nan 0.000 0.452 240 I N 0.348 120.932 120.570 0.024 0.000 2.179 240 I HA -0.301 3.869 4.170 -0.000 0.000 0.242 240 I C 2.398 178.530 176.117 0.025 0.000 1.088 240 I CA 1.145 62.459 61.300 0.023 0.000 1.357 240 I CB -0.417 37.596 38.000 0.023 0.000 1.051 240 I HN 0.210 nan 8.210 nan 0.000 0.409 241 A N 0.874 123.711 122.820 0.028 0.000 1.877 241 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 241 A C 2.288 179.891 177.584 0.031 0.000 1.186 241 A CA 1.643 53.699 52.037 0.030 0.000 0.620 241 A CB -0.900 18.120 19.000 0.035 0.000 0.822 241 A HN 0.396 nan 8.150 nan 0.000 0.443 242 I N 0.054 120.643 120.570 0.032 0.000 2.493 242 I HA -0.189 3.981 4.170 -0.000 0.000 0.254 242 I C 1.267 177.400 176.117 0.027 0.000 1.160 242 I CA 0.940 62.259 61.300 0.031 0.000 1.445 242 I CB -0.162 37.856 38.000 0.030 0.000 1.086 242 I HN 0.332 nan 8.210 nan 0.000 0.433 243 N N 0.002 118.716 118.700 0.024 0.000 2.230 243 N HA 0.041 4.780 4.740 -0.000 0.000 0.202 243 N C 0.502 176.025 175.510 0.022 0.000 1.119 243 N CA 0.061 53.124 53.050 0.022 0.000 0.851 243 N CB 0.443 38.942 38.487 0.019 0.000 0.990 243 N HN 0.066 nan 8.380 nan 0.000 0.497 244 S N 2.070 117.784 115.700 0.023 0.000 2.546 244 S HA 0.060 4.530 4.470 -0.000 0.000 0.290 244 S C -1.341 173.271 174.600 0.021 0.000 1.290 244 S CA -0.979 57.235 58.200 0.022 0.000 1.069 244 S CB 1.012 64.226 63.200 0.023 0.000 0.846 244 S HN 0.034 nan 8.310 nan 0.000 0.495 245 P HA -0.053 nan 4.420 nan 0.000 0.221 245 P C 1.152 178.460 177.300 0.013 0.000 1.145 245 P CA 0.895 64.006 63.100 0.018 0.000 0.795 245 P CB 0.052 31.765 31.700 0.022 0.000 0.775 246 L N -1.690 119.540 121.223 0.013 0.000 2.275 246 L HA -0.106 4.234 4.340 -0.000 0.000 0.215 246 L C 2.087 178.961 176.870 0.007 0.000 1.119 246 L CA 0.923 55.766 54.840 0.005 0.000 0.790 246 L CB -0.562 41.500 42.059 0.006 0.000 0.919 246 L HN 0.006 nan 8.230 nan 0.000 0.443 247 L N -0.845 120.386 121.223 0.014 0.000 2.492 247 L HA -0.018 4.321 4.340 -0.000 0.000 0.223 247 L C 0.641 177.520 176.870 0.016 0.000 1.132 247 L CA 0.177 55.028 54.840 0.017 0.000 0.850 247 L CB -0.165 41.908 42.059 0.023 0.000 0.966 247 L HN 0.247 nan 8.230 nan 0.000 0.454 248 E N -0.269 119.938 120.200 0.012 0.000 2.360 248 E HA -0.303 4.046 4.350 -0.000 0.000 0.238 248 E C 0.708 177.317 176.600 0.015 0.000 1.186 248 E CA 0.230 56.636 56.400 0.010 0.000 0.719 248 E CB -1.324 28.378 29.700 0.003 0.000 1.236 248 E HN 0.536 nan 8.360 nan 0.000 0.386 249 A N -0.336 122.495 122.820 0.020 0.000 2.783 249 A HA -0.324 3.996 4.320 -0.000 0.000 0.292 249 A C 1.529 179.132 177.584 0.032 0.000 1.495 249 A CA 1.435 53.487 52.037 0.025 0.000 0.787 249 A CB -2.167 16.846 19.000 0.022 0.000 1.017 249 A HN 1.033 nan 8.150 nan 0.000 0.516 250 S N -2.344 113.376 115.700 0.033 0.000 2.548 250 S HA 0.180 4.650 4.470 -0.000 0.000 0.215 250 S C 1.444 176.074 174.600 0.051 0.000 0.976 250 S CA 1.004 59.230 58.200 0.042 0.000 0.908 250 S CB -0.085 63.137 63.200 0.037 0.000 0.781 250 S HN 0.923 nan 8.310 nan 0.000 0.519 251 M N 2.460 122.087 119.600 0.046 0.000 2.132 251 M HA 0.051 4.531 4.480 -0.000 0.000 0.263 251 M C 1.932 178.270 176.300 0.064 0.000 1.065 251 M CA 1.679 57.009 55.300 0.049 0.000 1.122 251 M CB -0.703 31.922 32.600 0.041 0.000 1.365 251 M HN 0.343 nan 8.290 nan 0.000 0.411 252 E N -0.960 119.279 120.200 0.066 0.000 2.070 252 E HA -0.182 4.168 4.350 -0.000 0.000 0.197 252 E C 1.667 178.354 176.600 0.146 0.000 1.004 252 E CA 1.306 57.757 56.400 0.084 0.000 0.805 252 E CB -0.500 29.242 29.700 0.070 0.000 0.744 252 E HN 0.703 nan 8.360 nan 0.000 0.451 253 G N 0.005 108.882 108.800 0.127 0.000 3.042 253 G HA2 0.248 4.207 3.960 -0.000 0.000 0.212 253 G HA3 0.248 4.207 3.960 -0.000 0.000 0.212 253 G C 0.298 175.214 174.900 0.026 0.000 1.166 253 G CA 0.273 45.446 45.100 0.122 0.000 0.767 253 G HN 0.274 nan 8.290 nan 0.000 0.546 254 A N 0.189 123.038 122.820 0.049 0.000 2.477 254 A HA 0.451 4.771 4.320 -0.000 0.000 0.246 254 A C 1.209 178.771 177.584 -0.036 0.000 1.078 254 A CA 0.017 52.063 52.037 0.015 0.000 0.770 254 A CB 0.546 19.567 19.000 0.036 0.000 1.011 254 A HN 0.188 nan 8.150 nan 0.000 0.494 255 Q N 1.043 120.794 119.800 -0.082 0.000 2.384 255 Q HA 0.161 4.501 4.340 -0.000 0.000 0.207 255 Q C 0.676 176.642 176.000 -0.055 0.000 0.904 255 Q CA 1.007 56.740 55.803 -0.116 0.000 0.933 255 Q CB 0.755 29.377 28.738 -0.192 0.000 1.077 255 Q HN 0.855 nan 8.270 nan 0.000 0.522 256 G N 0.025 108.807 108.800 -0.029 0.000 2.666 256 G HA2 0.557 4.517 3.960 -0.000 0.000 0.303 256 G HA3 0.557 4.517 3.960 -0.000 0.000 0.303 256 G C -1.311 173.593 174.900 0.007 0.000 1.412 256 G CA -0.253 44.839 45.100 -0.014 0.000 0.979 256 G HN -0.069 nan 8.290 nan 0.000 0.507 257 V N 3.012 122.937 119.914 0.019 0.000 2.577 257 V HA 0.540 4.660 4.120 -0.000 0.000 0.303 257 V C -0.369 175.751 176.094 0.043 0.000 1.042 257 V CA -0.780 61.542 62.300 0.035 0.000 0.872 257 V CB 1.735 33.587 31.823 0.049 0.000 0.998 257 V HN 0.781 nan 8.190 nan 0.000 0.423 258 L N 5.633 126.880 121.223 0.040 0.000 2.322 258 L HA 0.810 5.150 4.340 -0.000 0.000 0.281 258 L C -0.625 176.272 176.870 0.045 0.000 1.014 258 L CA -0.357 54.507 54.840 0.039 0.000 0.815 258 L CB 1.461 43.534 42.059 0.024 0.000 1.247 258 L HN 0.827 nan 8.230 nan 0.000 0.421 259 M N 4.666 124.292 119.600 0.043 0.000 2.326 259 M HA 0.438 4.918 4.480 -0.000 0.000 0.292 259 M C -1.667 174.539 176.300 -0.158 0.000 1.081 259 M CA -0.180 55.134 55.300 0.023 0.000 0.919 259 M CB 2.125 34.831 32.600 0.177 0.000 1.634 259 M HN 0.622 nan 8.290 nan 0.000 0.451 260 S N 5.087 120.699 115.700 -0.147 0.000 2.521 260 S HA 0.743 5.212 4.470 -0.000 0.000 0.295 260 S C -1.173 173.328 174.600 -0.166 0.000 1.098 260 S CA -0.719 57.347 58.200 -0.223 0.000 0.999 260 S CB 1.144 64.270 63.200 -0.122 0.000 1.034 260 S HN 0.708 nan 8.310 nan 0.000 0.483 261 I N 3.794 124.237 120.570 -0.212 0.000 2.382 261 I HA 0.514 4.684 4.170 -0.000 0.000 0.285 261 I C 0.155 176.230 176.117 -0.070 0.000 1.007 261 I CA -0.759 60.486 61.300 -0.092 0.000 1.142 261 I CB 1.434 39.411 38.000 -0.039 0.000 1.289 261 I HN 0.680 nan 8.210 nan 0.000 0.453 262 A N 4.826 127.624 122.820 -0.037 0.000 2.312 262 A HA 0.960 5.280 4.320 -0.000 0.000 0.326 262 A C 0.160 177.741 177.584 -0.005 0.000 1.172 262 A CA -0.243 51.780 52.037 -0.023 0.000 0.821 262 A CB 1.273 20.262 19.000 -0.019 0.000 1.166 262 A HN 0.904 nan 8.150 nan 0.000 0.493 263 G N -0.139 108.661 108.800 -0.000 0.000 2.489 263 G HA2 0.602 4.562 3.960 -0.000 0.000 0.305 263 G HA3 0.602 4.562 3.960 -0.000 0.000 0.305 263 G C -0.043 174.864 174.900 0.011 0.000 1.311 263 G CA 0.050 45.155 45.100 0.010 0.000 0.813 263 G HN 1.289 nan 8.290 nan 0.000 0.480 264 G N -0.748 108.061 108.800 0.015 0.000 2.653 264 G HA2 0.417 4.376 3.960 -0.000 0.000 0.265 264 G HA3 0.417 4.376 3.960 -0.000 0.000 0.265 264 G C 1.253 176.164 174.900 0.018 0.000 1.237 264 G CA 0.820 45.930 45.100 0.015 0.000 0.946 264 G HN 0.941 nan 8.290 nan 0.000 0.522 265 S N 0.270 115.980 115.700 0.017 0.000 2.419 265 S HA -0.141 4.329 4.470 -0.000 0.000 0.235 265 S C 1.865 176.480 174.600 0.024 0.000 1.019 265 S CA 1.547 59.758 58.200 0.019 0.000 0.982 265 S CB -0.171 63.039 63.200 0.016 0.000 0.789 265 S HN 0.817 nan 8.310 nan 0.000 0.490 266 D N 0.911 121.326 120.400 0.025 0.000 2.363 266 D HA -0.002 4.638 4.640 -0.000 0.000 0.226 266 D C 0.430 176.753 176.300 0.038 0.000 1.020 266 D CA -0.140 53.878 54.000 0.029 0.000 0.892 266 D CB -0.490 40.326 40.800 0.026 0.000 0.900 266 D HN 0.223 nan 8.370 nan 0.000 0.531 267 L N 1.875 123.122 121.223 0.039 0.000 2.615 267 L HA 0.294 4.634 4.340 -0.000 0.000 0.271 267 L C 0.811 177.719 176.870 0.063 0.000 1.183 267 L CA 0.158 55.028 54.840 0.050 0.000 0.933 267 L CB 0.425 42.511 42.059 0.045 0.000 1.199 267 L HN 0.072 nan 8.230 nan 0.000 0.487 268 G N 4.094 112.941 108.800 0.079 0.000 2.444 268 G HA2 0.283 4.243 3.960 -0.000 0.000 0.268 268 G HA3 0.283 4.243 3.960 -0.000 0.000 0.268 268 G C 0.570 175.538 174.900 0.113 0.000 1.203 268 G CA -0.555 44.603 45.100 0.097 0.000 0.835 268 G HN 0.767 nan 8.290 nan 0.000 0.543 269 L N 2.445 123.737 121.223 0.116 0.000 2.083 269 L HA 0.011 4.351 4.340 -0.000 0.000 0.209 269 L C 2.278 179.221 176.870 0.121 0.000 1.083 269 L CA 1.667 56.574 54.840 0.111 0.000 0.752 269 L CB -0.703 41.416 42.059 0.099 0.000 0.899 269 L HN 0.645 nan 8.230 nan 0.000 0.433 270 F N 1.027 120.992 119.950 0.024 0.000 2.102 270 F HA -0.249 4.278 4.527 -0.000 0.000 0.298 270 F C 2.471 178.281 175.800 0.017 0.000 1.105 270 F CA 2.107 60.115 58.000 0.014 0.000 1.239 270 F CB -0.360 38.646 39.000 0.010 0.000 0.991 270 F HN 0.440 nan 8.300 nan 0.000 0.474 271 E N 0.416 120.679 120.200 0.106 0.000 2.072 271 E HA -0.219 4.130 4.350 -0.000 0.000 0.191 271 E C 2.279 178.856 176.600 -0.037 0.000 0.985 271 E CA 1.874 58.280 56.400 0.010 0.000 0.801 271 E CB -0.923 28.846 29.700 0.115 0.000 0.750 271 E HN 0.544 nan 8.360 nan 0.000 0.452 272 I N 1.741 122.330 120.570 0.032 0.000 2.163 272 I HA -0.299 3.871 4.170 -0.000 0.000 0.243 272 I C 2.483 178.593 176.117 -0.013 0.000 1.085 272 I CA 1.669 63.030 61.300 0.101 0.000 1.347 272 I CB -0.432 37.666 38.000 0.163 0.000 1.044 272 I HN 0.196 nan 8.210 nan 0.000 0.408 273 N N 0.648 119.272 118.700 -0.127 0.000 2.223 273 N HA -0.189 4.551 4.740 -0.000 0.000 0.185 273 N C 1.725 177.040 175.510 -0.325 0.000 1.016 273 N CA 1.237 54.137 53.050 -0.250 0.000 0.863 273 N CB 0.023 38.385 38.487 -0.209 0.000 0.983 273 N HN 0.314 nan 8.380 nan 0.000 0.429 274 E N -0.310 119.664 120.200 -0.376 0.000 2.051 274 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 274 E C 1.904 178.385 176.600 -0.199 0.000 0.991 274 E CA 1.142 57.340 56.400 -0.337 0.000 0.799 274 E CB -0.204 29.276 29.700 -0.366 0.000 0.748 274 E HN 0.485 nan 8.360 nan 0.000 0.449 275 A N 1.516 124.258 122.820 -0.131 0.000 1.883 275 A HA -0.172 4.147 4.320 -0.000 0.000 0.217 275 A C 2.405 179.916 177.584 -0.123 0.000 1.186 275 A CA 1.894 53.904 52.037 -0.045 0.000 0.624 275 A CB -0.729 18.325 19.000 0.091 0.000 0.822 275 A HN 0.312 nan 8.150 nan 0.000 0.444 276 A N -0.915 121.671 122.820 -0.390 0.000 1.908 276 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 276 A C 2.495 179.850 177.584 -0.382 0.000 1.181 276 A CA 2.276 53.853 52.037 -0.767 0.000 0.627 276 A CB -0.984 17.166 19.000 -1.416 0.000 0.818 276 A HN 0.578 nan 8.150 nan 0.000 0.445 277 S N -0.863 114.663 115.700 -0.290 0.000 2.368 277 S HA -0.142 4.328 4.470 -0.000 0.000 0.225 277 S C 1.933 176.458 174.600 -0.125 0.000 1.030 277 S CA 1.475 59.562 58.200 -0.189 0.000 0.999 277 S CB -0.474 62.621 63.200 -0.175 0.000 0.844 277 S HN 0.477 nan 8.310 nan 0.000 0.459 278 L N 1.463 122.620 121.223 -0.109 0.000 1.989 278 L HA -0.025 4.315 4.340 -0.000 0.000 0.211 278 L C 2.466 179.311 176.870 -0.041 0.000 1.071 278 L CA 1.961 56.765 54.840 -0.061 0.000 0.749 278 L CB -0.932 41.102 42.059 -0.042 0.000 0.890 278 L HN 0.275 nan 8.230 nan 0.000 0.431 279 V N -0.683 119.209 119.914 -0.037 0.000 2.407 279 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 279 V C 2.456 178.542 176.094 -0.014 0.000 1.055 279 V CA 2.082 64.381 62.300 -0.002 0.000 1.049 279 V CB -0.255 31.597 31.823 0.048 0.000 0.662 279 V HN 0.673 nan 8.190 nan 0.000 0.455 280 Q N -0.710 119.060 119.800 -0.050 0.000 2.050 280 Q HA -0.227 4.112 4.340 -0.000 0.000 0.202 280 Q C 1.983 177.963 176.000 -0.034 0.000 0.980 280 Q CA 1.963 57.740 55.803 -0.043 0.000 0.840 280 Q CB -0.280 28.416 28.738 -0.071 0.000 0.898 280 Q HN 0.646 nan 8.270 nan 0.000 0.424 281 D N 0.265 120.640 120.400 -0.041 0.000 2.178 281 D HA -0.108 4.532 4.640 -0.000 0.000 0.201 281 D C 1.510 177.796 176.300 -0.023 0.000 0.980 281 D CA 1.239 55.218 54.000 -0.035 0.000 0.842 281 D CB -0.049 40.728 40.800 -0.037 0.000 0.948 281 D HN 0.266 nan 8.370 nan 0.000 0.472 282 A N 0.252 123.064 122.820 -0.012 0.000 2.030 282 A HA 0.403 4.723 4.320 -0.000 0.000 0.215 282 A C 1.382 178.975 177.584 0.015 0.000 1.164 282 A CA 0.648 52.685 52.037 0.001 0.000 0.697 282 A CB -0.172 18.833 19.000 0.009 0.000 0.827 282 A HN 0.208 nan 8.150 nan 0.000 0.457 283 A N -0.287 122.545 122.820 0.019 0.000 2.332 283 A HA 0.407 4.727 4.320 -0.000 0.000 0.258 283 A C 0.328 177.945 177.584 0.055 0.000 1.087 283 A CA -0.425 51.640 52.037 0.047 0.000 0.802 283 A CB -0.249 18.780 19.000 0.047 0.000 1.042 283 A HN 0.501 nan 8.150 nan 0.000 0.489 284 H N 1.623 120.690 119.070 -0.004 0.000 3.064 284 H HA 0.010 4.566 4.556 -0.000 0.000 0.329 284 H C -1.474 173.844 175.328 -0.016 0.000 1.020 284 H CA -0.644 55.398 56.048 -0.010 0.000 1.402 284 H CB 0.831 30.585 29.762 -0.014 0.000 1.379 284 H HN 0.295 nan 8.280 nan 0.000 0.594 285 P HA -0.164 nan 4.420 nan 0.000 0.217 285 P C 0.578 177.916 177.300 0.063 0.000 1.151 285 P CA 1.445 64.490 63.100 -0.091 0.000 0.849 285 P CB 0.294 31.881 31.700 -0.189 0.000 0.787 286 D N -1.335 119.233 120.400 0.280 0.000 2.328 286 D HA 0.152 4.792 4.640 -0.000 0.000 0.226 286 D C 0.723 177.082 176.300 0.098 0.000 1.066 286 D CA 0.114 54.223 54.000 0.182 0.000 0.861 286 D CB -0.328 40.574 40.800 0.169 0.000 0.912 286 D HN 0.107 nan 8.370 nan 0.000 0.521 287 A N 0.775 123.665 122.820 0.116 0.000 2.462 287 A HA 0.187 4.507 4.320 -0.000 0.000 0.243 287 A C 0.344 177.940 177.584 0.020 0.000 1.076 287 A CA -0.276 51.786 52.037 0.043 0.000 0.773 287 A CB 0.052 19.089 19.000 0.062 0.000 1.010 287 A HN 0.026 nan 8.150 nan 0.000 0.493 288 N N 0.345 119.045 118.700 -0.001 0.000 2.520 288 N HA 0.496 5.236 4.740 -0.000 0.000 0.273 288 N C -0.828 174.690 175.510 0.014 0.000 1.155 288 N CA 0.334 53.385 53.050 0.000 0.000 0.967 288 N CB 0.832 39.310 38.487 -0.014 0.000 1.092 288 N HN 0.552 nan 8.380 nan 0.000 0.457 289 I N 2.796 123.381 120.570 0.025 0.000 2.478 289 I HA 0.325 4.495 4.170 -0.000 0.000 0.287 289 I C -0.923 175.235 176.117 0.069 0.000 1.042 289 I CA -0.714 60.616 61.300 0.050 0.000 1.067 289 I CB 1.379 39.409 38.000 0.051 0.000 1.233 289 I HN 0.249 nan 8.210 nan 0.000 0.431 290 I N 6.428 127.044 120.570 0.076 0.000 2.336 290 I HA 0.387 4.556 4.170 -0.000 0.000 0.292 290 I C -0.649 175.556 176.117 0.147 0.000 0.991 290 I CA -0.503 60.848 61.300 0.084 0.000 1.227 290 I CB 1.098 39.117 38.000 0.032 0.000 1.366 290 I HN 0.393 nan 8.210 nan 0.000 0.466 291 F N 4.817 124.769 119.950 0.004 0.000 2.565 291 F HA 0.835 5.362 4.527 -0.000 0.000 0.313 291 F C -0.035 175.772 175.800 0.011 0.000 1.091 291 F CA -0.131 57.873 58.000 0.005 0.000 0.915 291 F CB 2.171 41.170 39.000 -0.001 0.000 1.208 291 F HN 0.530 nan 8.300 nan 0.000 0.453 292 G N 1.668 109.948 108.800 -0.866 0.000 2.600 292 G HA2 0.542 4.502 3.960 -0.000 0.000 0.293 292 G HA3 0.542 4.502 3.960 -0.000 0.000 0.293 292 G C -1.578 172.966 174.900 -0.593 0.000 1.408 292 G CA -0.330 44.447 45.100 -0.538 0.000 0.782 292 G HN 0.844 nan 8.290 nan 0.000 0.482 293 T N -2.888 111.504 114.554 -0.270 0.000 2.916 293 T HA 0.783 5.133 4.350 -0.000 0.000 0.292 293 T C -1.161 173.484 174.700 -0.091 0.000 1.064 293 T CA -0.848 61.148 62.100 -0.173 0.000 1.011 293 T CB 1.983 70.803 68.868 -0.079 0.000 1.152 293 T HN 0.961 nan 8.240 nan 0.000 0.510 294 V N 1.746 121.622 119.914 -0.064 0.000 2.638 294 V HA 0.459 4.578 4.120 -0.000 0.000 0.306 294 V C -0.454 175.629 176.094 -0.018 0.000 1.052 294 V CA -0.913 61.365 62.300 -0.037 0.000 0.885 294 V CB 1.752 33.552 31.823 -0.038 0.000 0.999 294 V HN 0.906 nan 8.190 nan 0.000 0.424 295 I N 4.157 124.722 120.570 -0.008 0.000 2.312 295 I HA 0.373 4.543 4.170 -0.000 0.000 0.291 295 I C -0.625 175.492 176.117 0.000 0.000 1.031 295 I CA 0.221 61.521 61.300 -0.000 0.000 1.293 295 I CB 1.023 39.026 38.000 0.005 0.000 1.403 295 I HN 0.608 nan 8.210 nan 0.000 0.484 296 D N 5.925 126.326 120.400 0.002 0.000 2.358 296 D HA 0.139 4.779 4.640 -0.000 0.000 0.253 296 D C 0.241 176.545 176.300 0.006 0.000 1.288 296 D CA -0.359 53.643 54.000 0.003 0.000 0.950 296 D CB 0.956 41.757 40.800 0.001 0.000 1.197 296 D HN 0.358 nan 8.370 nan 0.000 0.550 297 D N 1.072 121.476 120.400 0.007 0.000 2.371 297 D HA -0.112 4.527 4.640 -0.000 0.000 0.221 297 D C 1.748 178.053 176.300 0.009 0.000 0.986 297 D CA 0.494 54.500 54.000 0.009 0.000 0.899 297 D CB 0.395 41.200 40.800 0.009 0.000 0.902 297 D HN 0.475 nan 8.370 nan 0.000 0.530 298 S N -0.135 115.570 115.700 0.008 0.000 2.453 298 S HA -0.044 4.426 4.470 -0.000 0.000 0.231 298 S C 2.072 176.677 174.600 0.008 0.000 1.005 298 S CA 0.208 58.413 58.200 0.008 0.000 0.949 298 S CB -0.383 62.821 63.200 0.007 0.000 0.774 298 S HN 0.249 nan 8.310 nan 0.000 0.510 299 L N 1.237 122.465 121.223 0.009 0.000 2.362 299 L HA 0.145 4.484 4.340 -0.000 0.000 0.219 299 L C 2.089 178.966 176.870 0.011 0.000 1.134 299 L CA 0.479 55.325 54.840 0.010 0.000 0.807 299 L CB -1.507 40.558 42.059 0.010 0.000 0.927 299 L HN 0.699 nan 8.230 nan 0.000 0.447 300 G N 1.495 110.302 108.800 0.011 0.000 2.536 300 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.280 300 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.280 300 G C 0.362 175.271 174.900 0.015 0.000 1.152 300 G CA 0.322 45.429 45.100 0.012 0.000 0.970 300 G HN 0.481 nan 8.290 nan 0.000 0.549 301 D N 1.523 121.933 120.400 0.016 0.000 2.358 301 D HA 0.186 4.826 4.640 -0.000 0.000 0.224 301 D C 0.613 176.925 176.300 0.020 0.000 1.123 301 D CA 0.692 54.703 54.000 0.019 0.000 0.833 301 D CB 0.124 40.935 40.800 0.018 0.000 0.946 301 D HN 0.693 nan 8.370 nan 0.000 0.505 302 E N 0.674 120.885 120.200 0.018 0.000 2.266 302 E HA 0.356 4.706 4.350 -0.000 0.000 0.277 302 E C -0.459 176.152 176.600 0.019 0.000 1.018 302 E CA -0.805 55.606 56.400 0.018 0.000 0.840 302 E CB 1.870 31.579 29.700 0.015 0.000 1.082 302 E HN 0.082 nan 8.360 nan 0.000 0.395 303 V N 1.449 121.375 119.914 0.021 0.000 2.715 303 V HA 0.685 4.805 4.120 -0.000 0.000 0.310 303 V C -0.749 175.355 176.094 0.017 0.000 1.054 303 V CA -0.959 61.353 62.300 0.020 0.000 0.928 303 V CB 1.770 33.609 31.823 0.026 0.000 1.007 303 V HN 0.665 nan 8.190 nan 0.000 0.437 304 R N 2.586 123.093 120.500 0.011 0.000 2.451 304 R HA 0.719 5.059 4.340 -0.000 0.000 0.307 304 R C -1.493 174.809 176.300 0.005 0.000 0.965 304 R CA -0.613 55.493 56.100 0.009 0.000 0.865 304 R CB 2.223 32.526 30.300 0.006 0.000 1.174 304 R HN 0.692 nan 8.270 nan 0.000 0.455 305 V N 2.489 122.411 119.914 0.013 0.000 2.472 305 V HA 0.394 4.514 4.120 -0.000 0.000 0.290 305 V C 0.169 176.270 176.094 0.012 0.000 1.037 305 V CA -0.411 61.896 62.300 0.013 0.000 0.908 305 V CB 1.895 33.737 31.823 0.033 0.000 0.985 305 V HN 0.714 nan 8.190 nan 0.000 0.454 306 T N 4.075 118.631 114.554 0.003 0.000 2.824 306 T HA 0.619 4.969 4.350 -0.000 0.000 0.282 306 T C -0.586 174.124 174.700 0.017 0.000 0.993 306 T CA -0.395 61.711 62.100 0.009 0.000 0.967 306 T CB 1.678 70.547 68.868 0.002 0.000 0.960 306 T HN 0.353 nan 8.240 nan 0.000 0.441 307 V N 4.846 124.777 119.914 0.028 0.000 2.487 307 V HA 0.508 4.628 4.120 -0.000 0.000 0.298 307 V C -0.731 175.384 176.094 0.036 0.000 1.028 307 V CA -0.902 61.420 62.300 0.038 0.000 0.860 307 V CB 1.718 33.569 31.823 0.046 0.000 0.991 307 V HN 0.736 nan 8.190 nan 0.000 0.427 308 I N 4.236 124.828 120.570 0.038 0.000 2.362 308 I HA 0.669 4.839 4.170 -0.000 0.000 0.289 308 I C 0.313 176.451 176.117 0.034 0.000 0.994 308 I CA -0.452 60.871 61.300 0.037 0.000 1.158 308 I CB 1.520 39.546 38.000 0.043 0.000 1.315 308 I HN 0.678 nan 8.210 nan 0.000 0.451 309 A N 5.514 128.353 122.820 0.032 0.000 2.303 309 A HA 0.913 5.233 4.320 -0.000 0.000 0.320 309 A C -0.280 177.320 177.584 0.027 0.000 1.192 309 A CA -0.418 51.637 52.037 0.031 0.000 0.821 309 A CB 1.250 20.272 19.000 0.035 0.000 1.188 309 A HN 0.835 nan 8.150 nan 0.000 0.492 310 A N 1.662 124.495 122.820 0.021 0.000 2.413 310 A HA 0.984 5.304 4.320 -0.000 0.000 0.307 310 A C 0.468 178.064 177.584 0.021 0.000 1.087 310 A CA 0.042 52.092 52.037 0.020 0.000 0.750 310 A CB 1.015 20.019 19.000 0.006 0.000 1.296 310 A HN 2.871 nan 8.150 nan 0.000 0.423 311 G N -0.767 108.062 108.800 0.048 0.000 2.760 311 G HA2 0.360 4.320 3.960 -0.000 0.000 0.246 311 G HA3 0.360 4.320 3.960 -0.000 0.000 0.246 311 G C -0.451 174.534 174.900 0.141 0.000 1.359 311 G CA 0.236 45.376 45.100 0.066 0.000 0.861 311 G HN 2.379 nan 8.290 nan 0.000 0.541 312 F N 0.000 119.908 119.950 -0.071 0.000 2.286 312 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 312 F CA 0.000 57.953 58.000 -0.079 0.000 1.383 312 F CB 0.000 38.971 39.000 -0.049 0.000 1.145 312 F HN 0.000 nan 8.300 nan 0.000 0.574