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 2wov_1_D DATA FIRST_RESID 2 DATA SEQUENCE SKAFDLVVIG AGSGGLEAGW NAATLYGKRV AVVDVQTSHG PPFYAALGGT DATA SEQUENCE CVNVGCVPKK LMVTGAQYMD HLRESAGFGW EFDGSSVKAN WKKLIAAKNE DATA SEQUENCE AVLDINKSYE GMFNDTEGLD FFLGWGSLES KNVVVVRETA DPKSAVKERL DATA SEQUENCE QADHILLATG SWPQMPAIPG IEHCISSNEA FYLPEPPRRV LTVGGGFISV DATA SEQUENCE EFAGIFNAYK PPGGKVTLCY RNNLILRGFD ETIREEVTKQ LTANGIEIMT DATA SEQUENCE NENPAKVSLN TDGSKHVTFE SGKTLDVDVV MMAIGRIPRT NDLQLGNVGV DATA SEQUENCE KLTPKGGVQV DEFSRTNVPN IYAIGDITDR LMLTPVAINE GAALVDTVFG DATA SEQUENCE NKPRKTDHTR VASAVFSIPP IGTCGLIEEV AAKEFEKVAV YMSSFTPLMH DATA SEQUENCE NISGSKYKKF VAKIVTNHSD GTVLGVHLLG DGAPEIIQAV GVCLRLNAKI DATA SEQUENCE SDFYNTIGVH PTSAEELCSM RTPSYYYVKG EKMEKLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.587 174.600 -0.022 0.000 1.055 2 S CA 0.000 58.188 58.200 -0.019 0.000 1.107 2 S CB 0.000 63.189 63.200 -0.019 0.000 0.593 3 K N 2.061 122.456 120.400 -0.008 0.000 2.324 3 K HA 0.822 5.142 4.320 -0.000 0.000 0.253 3 K C -0.515 175.996 176.600 -0.147 0.000 0.932 3 K CA -0.928 55.303 56.287 -0.093 0.000 0.799 3 K CB 2.008 34.474 32.500 -0.055 0.000 1.154 3 K HN 0.524 nan 8.250 nan 0.000 0.425 4 A N 2.751 125.394 122.820 -0.295 0.000 2.304 4 A HA 0.785 5.104 4.320 -0.000 0.000 0.301 4 A C -1.097 176.211 177.584 -0.461 0.000 1.132 4 A CA -0.357 51.558 52.037 -0.204 0.000 0.819 4 A CB 0.081 19.010 19.000 -0.117 0.000 1.094 4 A HN 0.598 nan 8.150 nan 0.000 0.492 5 F N -0.221 119.754 119.950 0.041 0.000 2.601 5 F HA 0.295 4.822 4.527 -0.000 0.000 0.309 5 F C 0.710 176.561 175.800 0.084 0.000 1.089 5 F CA -0.665 57.376 58.000 0.069 0.000 0.940 5 F CB 2.093 41.151 39.000 0.095 0.000 1.273 5 F HN 0.665 nan 8.300 nan 0.000 0.450 6 D N 0.805 121.378 120.400 0.287 0.000 2.117 6 D HA -0.055 4.585 4.640 -0.000 0.000 0.198 6 D C 0.048 176.607 176.300 0.433 0.000 0.982 6 D CA 1.722 55.888 54.000 0.276 0.000 0.828 6 D CB 0.399 41.263 40.800 0.105 0.000 0.967 6 D HN 0.156 nan 8.370 nan 0.000 0.464 7 L N 0.420 121.878 121.223 0.392 0.000 2.470 7 L HA 0.323 4.663 4.340 -0.000 0.000 0.268 7 L C -1.461 175.538 176.870 0.214 0.000 0.964 7 L CA -0.644 54.419 54.840 0.372 0.000 0.839 7 L CB 2.459 44.768 42.059 0.416 0.000 1.276 7 L HN -0.349 nan 8.230 nan 0.000 0.403 8 V N 5.517 125.525 119.914 0.158 0.000 2.409 8 V HA 0.558 4.678 4.120 -0.000 0.000 0.291 8 V C -0.531 175.607 176.094 0.073 0.000 1.020 8 V CA -0.694 61.623 62.300 0.029 0.000 0.848 8 V CB 1.868 33.679 31.823 -0.020 0.000 0.990 8 V HN 0.505 nan 8.190 nan 0.000 0.430 9 V N 6.520 126.470 119.914 0.060 0.000 2.370 9 V HA 0.476 4.596 4.120 -0.000 0.000 0.283 9 V C -0.102 176.011 176.094 0.031 0.000 1.023 9 V CA -0.426 61.921 62.300 0.078 0.000 0.857 9 V CB 1.521 33.413 31.823 0.116 0.000 0.985 9 V HN 0.694 nan 8.190 nan 0.000 0.443 10 I N 4.560 125.143 120.570 0.023 0.000 2.301 10 I HA 0.690 4.860 4.170 -0.000 0.000 0.292 10 I C 0.775 176.893 176.117 0.003 0.000 1.046 10 I CA 0.274 61.568 61.300 -0.011 0.000 1.282 10 I CB 1.061 39.050 38.000 -0.019 0.000 1.409 10 I HN 0.876 nan 8.210 nan 0.000 0.484 11 G N 4.603 113.396 108.800 -0.012 0.000 3.353 11 G HA2 0.145 4.105 3.960 -0.000 0.000 0.682 11 G HA3 0.145 4.105 3.960 -0.000 0.000 0.682 11 G C -0.257 174.670 174.900 0.044 0.000 1.192 11 G CA -0.448 44.655 45.100 0.005 0.000 1.111 11 G HN 0.923 nan 8.290 nan 0.000 0.493 12 A N 1.635 124.488 122.820 0.054 0.000 3.163 12 A HA 0.759 5.078 4.320 -0.000 0.000 0.283 12 A C 1.369 178.951 177.584 -0.004 0.000 1.412 12 A CA 1.154 53.240 52.037 0.083 0.000 1.053 12 A CB -0.256 18.847 19.000 0.171 0.000 1.082 12 A HN 1.947 nan 8.150 nan 0.000 0.639 13 G N -0.853 107.951 108.800 0.005 0.000 2.782 13 G HA2 0.389 4.349 3.960 -0.000 0.000 0.201 13 G HA3 0.389 4.349 3.960 -0.000 0.000 0.201 13 G C 1.044 175.933 174.900 -0.019 0.000 1.374 13 G CA 0.503 45.600 45.100 -0.005 0.000 1.039 13 G HN 0.240 nan 8.290 nan 0.000 0.576 14 S N -0.282 115.426 115.700 0.013 0.000 2.356 14 S HA -0.086 4.384 4.470 -0.000 0.000 0.223 14 S C 2.399 177.019 174.600 0.033 0.000 1.032 14 S CA 1.618 59.831 58.200 0.022 0.000 1.005 14 S CB -0.611 62.612 63.200 0.038 0.000 0.867 14 S HN 0.748 nan 8.310 nan 0.000 0.449 15 G N 1.321 110.149 108.800 0.046 0.000 2.454 15 G HA2 0.037 3.997 3.960 -0.000 0.000 0.214 15 G HA3 0.037 3.997 3.960 -0.000 0.000 0.214 15 G C 1.516 176.457 174.900 0.068 0.000 1.217 15 G CA 0.785 45.921 45.100 0.060 0.000 0.799 15 G HN 0.547 nan 8.290 nan 0.000 0.538 16 G N 0.935 109.775 108.800 0.068 0.000 2.476 16 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 16 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 16 G C 1.858 176.817 174.900 0.098 0.000 1.164 16 G CA 0.963 46.115 45.100 0.087 0.000 0.768 16 G HN 0.400 nan 8.290 nan 0.000 0.560 17 L N -0.011 121.245 121.223 0.055 0.000 2.046 17 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 17 L C 2.791 179.714 176.870 0.088 0.000 1.077 17 L CA 1.519 56.377 54.840 0.031 0.000 0.747 17 L CB -0.357 41.621 42.059 -0.134 0.000 0.896 17 L HN 0.276 nan 8.230 nan 0.000 0.432 18 E N 0.487 120.736 120.200 0.082 0.000 2.085 18 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 18 E C 2.075 178.785 176.600 0.184 0.000 0.994 18 E CA 1.598 58.075 56.400 0.129 0.000 0.801 18 E CB -0.055 29.700 29.700 0.093 0.000 0.743 18 E HN 0.393 nan 8.360 nan 0.000 0.453 19 A N -0.186 122.726 122.820 0.152 0.000 1.970 19 A HA 0.113 4.433 4.320 -0.000 0.000 0.216 19 A C 2.372 180.070 177.584 0.189 0.000 1.170 19 A CA 1.309 53.444 52.037 0.162 0.000 0.645 19 A CB -0.942 18.137 19.000 0.132 0.000 0.816 19 A HN 0.398 nan 8.150 nan 0.000 0.447 20 G N -1.150 107.762 108.800 0.187 0.000 2.404 20 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.215 20 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.215 20 G C 1.522 176.521 174.900 0.166 0.000 1.174 20 G CA 0.897 46.108 45.100 0.184 0.000 0.780 20 G HN 0.654 nan 8.290 nan 0.000 0.537 21 W N 1.942 123.232 121.300 -0.017 0.000 2.358 21 W HA -0.123 4.537 4.660 -0.000 0.000 0.303 21 W C 1.869 178.380 176.519 -0.013 0.000 1.208 21 W CA 1.447 58.761 57.345 -0.051 0.000 1.274 21 W CB -0.284 29.134 29.460 -0.070 0.000 1.138 21 W HN 0.172 nan 8.180 nan 0.000 0.515 22 N N 1.056 119.816 118.700 0.100 0.000 2.142 22 N HA -0.134 4.606 4.740 -0.000 0.000 0.186 22 N C 1.989 177.500 175.510 0.001 0.000 1.023 22 N CA 2.574 55.625 53.050 0.002 0.000 0.852 22 N CB -1.165 37.416 38.487 0.156 0.000 0.998 22 N HN 0.171 nan 8.380 nan 0.000 0.424 23 A N 0.345 123.242 122.820 0.128 0.000 1.969 23 A HA 0.111 4.431 4.320 -0.000 0.000 0.218 23 A C 2.219 179.780 177.584 -0.039 0.000 1.169 23 A CA 1.795 53.922 52.037 0.150 0.000 0.635 23 A CB -0.673 18.446 19.000 0.198 0.000 0.810 23 A HN 0.323 nan 8.150 nan 0.000 0.445 24 A N -0.668 122.089 122.820 -0.106 0.000 1.903 24 A HA 0.041 4.361 4.320 -0.000 0.000 0.213 24 A C 2.388 179.786 177.584 -0.309 0.000 1.185 24 A CA 2.119 54.051 52.037 -0.175 0.000 0.628 24 A CB -0.913 18.003 19.000 -0.140 0.000 0.830 24 A HN 0.675 nan 8.150 nan 0.000 0.446 25 T N -2.479 111.759 114.554 -0.527 0.000 3.031 25 T HA 0.190 4.540 4.350 -0.000 0.000 0.254 25 T C 1.675 176.111 174.700 -0.441 0.000 1.060 25 T CA 1.003 62.735 62.100 -0.614 0.000 1.135 25 T CB -0.264 67.929 68.868 -1.125 0.000 0.896 25 T HN 0.225 nan 8.240 nan 0.000 0.472 26 L N -1.691 119.267 121.223 -0.442 0.000 2.408 26 L HA 0.333 4.673 4.340 -0.000 0.000 0.215 26 L C 1.494 177.995 176.870 -0.615 0.000 1.081 26 L CA 0.556 55.075 54.840 -0.535 0.000 0.840 26 L CB -0.052 41.601 42.059 -0.676 0.000 1.002 26 L HN 0.177 nan 8.230 nan 0.000 0.468 27 Y N -0.374 119.840 120.300 -0.144 0.000 2.500 27 Y HA 0.381 4.931 4.550 -0.000 0.000 0.246 27 Y C 1.599 177.392 175.900 -0.179 0.000 1.146 27 Y CA -0.120 57.895 58.100 -0.141 0.000 1.230 27 Y CB 0.565 38.940 38.460 -0.142 0.000 1.214 27 Y HN 0.139 nan 8.280 nan 0.000 0.526 28 G N 0.732 109.488 108.800 -0.072 0.000 2.160 28 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.251 28 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.251 28 G C 0.090 174.929 174.900 -0.101 0.000 1.008 28 G CA -0.086 44.962 45.100 -0.086 0.000 0.724 28 G HN 0.053 nan 8.290 nan 0.000 0.514 29 K N -0.282 120.033 120.400 -0.142 0.000 2.095 29 K HA 0.543 4.863 4.320 -0.000 0.000 0.252 29 K C 0.436 177.012 176.600 -0.040 0.000 0.977 29 K CA -0.899 55.288 56.287 -0.168 0.000 0.900 29 K CB 0.726 32.989 32.500 -0.395 0.000 1.060 29 K HN 0.097 nan 8.250 nan 0.000 0.449 30 R N 1.123 121.643 120.500 0.035 0.000 2.196 30 R HA 0.297 4.637 4.340 -0.000 0.000 0.340 30 R C -0.406 176.108 176.300 0.357 0.000 1.043 30 R CA -0.662 55.543 56.100 0.175 0.000 0.883 30 R CB -0.102 30.270 30.300 0.120 0.000 1.078 30 R HN 0.213 nan 8.270 nan 0.000 0.462 31 V N 2.009 122.121 119.914 0.329 0.000 2.448 31 V HA 0.667 4.787 4.120 -0.000 0.000 0.295 31 V C 0.181 176.359 176.094 0.140 0.000 1.025 31 V CA -1.169 61.279 62.300 0.246 0.000 0.859 31 V CB 1.741 33.670 31.823 0.176 0.000 0.988 31 V HN 0.786 nan 8.190 nan 0.000 0.431 32 A N 4.712 127.407 122.820 -0.209 0.000 2.304 32 A HA 0.875 5.195 4.320 -0.000 0.000 0.323 32 A C -0.714 176.828 177.584 -0.069 0.000 1.195 32 A CA -0.517 51.283 52.037 -0.395 0.000 0.826 32 A CB 1.321 19.580 19.000 -1.235 0.000 1.184 32 A HN 0.719 nan 8.150 nan 0.000 0.496 33 V N 2.973 122.913 119.914 0.045 0.000 2.588 33 V HA 0.520 4.640 4.120 -0.000 0.000 0.304 33 V C -0.391 175.630 176.094 -0.121 0.000 1.042 33 V CA -0.568 61.780 62.300 0.081 0.000 0.877 33 V CB 1.629 33.669 31.823 0.362 0.000 0.996 33 V HN 0.672 nan 8.190 nan 0.000 0.425 34 V N 3.171 123.005 119.914 -0.133 0.000 2.555 34 V HA 0.698 4.818 4.120 -0.000 0.000 0.302 34 V C -0.613 175.356 176.094 -0.208 0.000 1.038 34 V CA -0.350 61.782 62.300 -0.280 0.000 0.887 34 V CB 1.878 33.582 31.823 -0.197 0.000 0.991 34 V HN 0.941 nan 8.190 nan 0.000 0.434 35 D N 1.180 121.409 120.400 -0.284 0.000 2.599 35 D HA 0.324 4.964 4.640 -0.000 0.000 0.252 35 D C 0.343 176.500 176.300 -0.239 0.000 1.232 35 D CA -0.301 53.617 54.000 -0.136 0.000 0.819 35 D CB 2.905 43.790 40.800 0.141 0.000 1.401 35 D HN 0.409 nan 8.370 nan 0.000 0.429 36 V N -0.563 119.118 119.914 -0.388 0.000 3.541 36 V HA 0.309 4.429 4.120 -0.000 0.000 0.267 36 V C 0.402 176.422 176.094 -0.123 0.000 1.213 36 V CA 0.809 62.742 62.300 -0.612 0.000 1.149 36 V CB -0.096 30.861 31.823 -1.444 0.000 0.822 36 V HN 0.473 nan 8.190 nan 0.000 0.462 37 Q N -0.499 119.322 119.800 0.035 0.000 2.527 37 Q HA 0.328 4.668 4.340 -0.000 0.000 0.280 37 Q C 0.375 176.435 176.000 0.100 0.000 0.977 37 Q CA 0.381 56.256 55.803 0.121 0.000 0.837 37 Q CB 2.059 30.896 28.738 0.165 0.000 1.454 37 Q HN 0.383 nan 8.270 nan 0.000 0.387 38 T N -2.146 112.443 114.554 0.057 0.000 3.037 38 T HA 0.252 4.602 4.350 -0.000 0.000 0.251 38 T C 0.531 175.220 174.700 -0.019 0.000 1.079 38 T CA 0.780 62.864 62.100 -0.026 0.000 1.067 38 T CB 0.142 68.981 68.868 -0.047 0.000 0.948 38 T HN 0.480 nan 8.240 nan 0.000 0.496 39 S N 0.818 116.519 115.700 0.002 0.000 2.651 39 S HA 0.523 4.993 4.470 -0.000 0.000 0.279 39 S C -0.593 174.009 174.600 0.003 0.000 1.148 39 S CA -1.038 57.178 58.200 0.026 0.000 0.837 39 S CB 0.785 63.985 63.200 -0.000 0.000 1.138 39 S HN 0.712 nan 8.310 nan 0.000 0.478 40 H N -0.280 118.819 119.070 0.049 0.000 2.790 40 H HA 0.647 5.203 4.556 -0.000 0.000 0.358 40 H C 0.779 176.131 175.328 0.040 0.000 1.103 40 H CA 0.437 56.541 56.048 0.092 0.000 1.426 40 H CB -0.060 29.788 29.762 0.143 0.000 1.424 40 H HN 1.562 nan 8.280 nan 0.000 0.599 41 G N 1.551 110.346 108.800 -0.007 0.000 2.373 41 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.634 41 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.634 41 G C -3.007 171.450 174.900 -0.739 0.000 1.267 41 G CA -0.808 44.060 45.100 -0.387 0.000 1.008 41 G HN 0.786 nan 8.290 nan 0.000 0.497 42 P HA 0.201 nan 4.420 nan 0.000 0.267 42 P C -1.822 175.050 177.300 -0.714 0.000 1.200 42 P CA -0.508 61.901 63.100 -1.152 0.000 0.772 42 P CB 0.701 31.975 31.700 -0.711 0.000 0.855 43 P HA 0.085 nan 4.420 nan 0.000 0.234 43 P C 0.653 177.582 177.300 -0.619 0.000 1.175 43 P CA 0.909 63.541 63.100 -0.780 0.000 0.801 43 P CB 0.103 31.293 31.700 -0.851 0.000 0.891 44 F N -2.232 117.651 119.950 -0.112 0.000 2.727 44 F HA 0.217 4.744 4.527 -0.000 0.000 0.302 44 F C 1.349 177.345 175.800 0.326 0.000 1.097 44 F CA -0.759 57.341 58.000 0.167 0.000 1.330 44 F CB -0.924 38.147 39.000 0.118 0.000 1.084 44 F HN -0.250 nan 8.300 nan 0.000 0.578 45 Y N -1.041 119.433 120.300 0.291 0.000 2.703 45 Y HA -0.427 4.123 4.550 -0.000 0.000 0.485 45 Y C 1.726 177.780 175.900 0.257 0.000 1.040 45 Y CA 0.442 58.696 58.100 0.258 0.000 3.075 45 Y CB -1.927 36.708 38.460 0.291 0.000 0.957 45 Y HN 0.044 nan 8.280 nan 0.000 0.576 46 A N 1.614 124.713 122.820 0.465 0.000 2.406 46 A HA 0.707 5.027 4.320 -0.000 0.000 0.243 46 A C 0.583 178.295 177.584 0.214 0.000 1.082 46 A CA 0.790 53.008 52.037 0.303 0.000 0.786 46 A CB 0.324 19.511 19.000 0.311 0.000 1.029 46 A HN 1.505 nan 8.150 nan 0.000 0.495 47 A N -0.332 122.572 122.820 0.141 0.000 2.552 47 A HA 0.525 4.845 4.320 -0.000 0.000 0.308 47 A C -0.872 176.749 177.584 0.062 0.000 1.114 47 A CA -0.587 51.507 52.037 0.095 0.000 0.610 47 A CB -0.314 18.747 19.000 0.102 0.000 1.402 47 A HN 1.800 nan 8.150 nan 0.000 0.563 48 L N 1.295 122.533 121.223 0.025 0.000 2.810 48 L HA 0.361 4.701 4.340 -0.000 0.000 0.279 48 L C 1.314 178.183 176.870 -0.001 0.000 1.144 48 L CA 2.757 57.570 54.840 -0.045 0.000 0.998 48 L CB -0.513 41.444 42.059 -0.170 0.000 1.342 48 L HN 2.069 nan 8.230 nan 0.000 0.473 49 G N 1.726 110.451 108.800 -0.124 0.000 2.284 49 G HA2 0.185 4.145 3.960 -0.000 0.000 0.201 49 G HA3 0.185 4.145 3.960 -0.000 0.000 0.201 49 G C 0.913 175.816 174.900 0.004 0.000 0.998 49 G CA -0.006 45.042 45.100 -0.086 0.000 0.651 49 G HN 1.838 nan 8.290 nan 0.000 0.489 50 G N -1.296 107.520 108.800 0.027 0.000 2.698 50 G HA2 0.131 4.091 3.960 -0.000 0.000 0.225 50 G HA3 0.131 4.091 3.960 -0.000 0.000 0.225 50 G C 0.765 175.714 174.900 0.081 0.000 1.345 50 G CA 0.691 45.824 45.100 0.055 0.000 0.871 50 G HN 1.186 nan 8.290 nan 0.000 0.540 51 T N -0.368 114.241 114.554 0.092 0.000 2.674 51 T HA -0.206 4.144 4.350 -0.000 0.000 0.265 51 T C 2.558 177.280 174.700 0.037 0.000 1.039 51 T CA 2.757 64.912 62.100 0.091 0.000 1.150 51 T CB -0.758 68.176 68.868 0.111 0.000 0.864 51 T HN 1.281 nan 8.240 nan 0.000 0.427 52 C N 1.378 120.701 119.300 0.039 0.000 2.336 52 C HA -0.160 4.300 4.460 -0.000 0.000 0.272 52 C C 2.739 177.723 174.990 -0.011 0.000 1.160 52 C CA 1.291 60.321 59.018 0.019 0.000 1.783 52 C CB -1.288 26.473 27.740 0.034 0.000 2.050 52 C HN 0.404 nan 8.230 nan 0.000 0.443 53 V N 1.645 121.573 119.914 0.022 0.000 2.358 53 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 53 V C 2.300 178.368 176.094 -0.043 0.000 1.047 53 V CA 2.457 64.766 62.300 0.017 0.000 1.035 53 V CB -0.652 31.245 31.823 0.122 0.000 0.658 53 V HN 0.615 nan 8.190 nan 0.000 0.452 54 N N 0.052 118.740 118.700 -0.021 0.000 2.436 54 N HA 0.033 4.773 4.740 -0.000 0.000 0.178 54 N C 0.862 176.259 175.510 -0.189 0.000 1.026 54 N CA 1.564 54.608 53.050 -0.009 0.000 0.880 54 N CB 1.113 39.682 38.487 0.137 0.000 1.061 54 N HN 0.530 nan 8.380 nan 0.000 0.434 55 V N -2.957 116.797 119.914 -0.267 0.000 3.301 55 V HA 0.750 4.870 4.120 -0.000 0.000 0.477 55 V C 0.068 175.964 176.094 -0.330 0.000 1.564 55 V CA -0.327 61.599 62.300 -0.622 0.000 1.946 55 V CB 0.583 32.339 31.823 -0.112 0.000 1.281 55 V HN 0.197 nan 8.190 nan 0.000 0.655 56 G N -0.246 108.409 108.800 -0.242 0.000 2.791 56 G HA2 0.282 4.242 3.960 -0.000 0.000 0.158 56 G HA3 0.282 4.242 3.960 -0.000 0.000 0.158 56 G C 0.750 175.671 174.900 0.035 0.000 1.193 56 G CA 0.604 45.732 45.100 0.048 0.000 1.032 56 G HN 0.400 nan 8.290 nan 0.000 0.557 57 C N -0.042 119.274 119.300 0.027 0.000 2.363 57 C HA -0.088 4.372 4.460 -0.000 0.000 0.274 57 C C 2.816 177.761 174.990 -0.076 0.000 1.183 57 C CA 1.211 60.226 59.018 -0.004 0.000 1.771 57 C CB -1.594 26.146 27.740 0.000 0.000 2.059 57 C HN 0.316 nan 8.230 nan 0.000 0.455 58 V N 2.654 122.517 119.914 -0.085 0.000 2.244 58 V HA -0.117 4.003 4.120 -0.000 0.000 0.244 58 V C 0.188 176.206 176.094 -0.127 0.000 1.042 58 V CA 2.636 64.866 62.300 -0.117 0.000 1.006 58 V CB -1.880 29.882 31.823 -0.102 0.000 0.641 58 V HN 0.363 nan 8.190 nan 0.000 0.446 59 P HA -0.184 nan 4.420 nan 0.000 0.217 59 P C 1.629 178.955 177.300 0.044 0.000 1.150 59 P CA 1.447 64.486 63.100 -0.101 0.000 0.832 59 P CB -0.155 31.368 31.700 -0.294 0.000 0.787 60 K N 1.140 121.610 120.400 0.117 0.000 2.032 60 K HA -0.197 4.123 4.320 -0.000 0.000 0.209 60 K C 2.071 178.568 176.600 -0.172 0.000 1.048 60 K CA 1.871 58.152 56.287 -0.010 0.000 0.927 60 K CB -0.568 31.942 32.500 0.017 0.000 0.712 60 K HN -0.111 nan 8.250 nan 0.000 0.441 61 K N 1.073 121.346 120.400 -0.212 0.000 2.057 61 K HA -0.015 4.305 4.320 -0.000 0.000 0.206 61 K C 2.307 178.772 176.600 -0.223 0.000 1.050 61 K CA 1.141 57.231 56.287 -0.328 0.000 0.935 61 K CB -0.334 31.898 32.500 -0.447 0.000 0.715 61 K HN 0.194 nan 8.250 nan 0.000 0.439 62 L N -0.072 121.048 121.223 -0.171 0.000 2.012 62 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 62 L C 2.574 179.370 176.870 -0.124 0.000 1.073 62 L CA 1.686 56.448 54.840 -0.131 0.000 0.748 62 L CB -0.419 41.564 42.059 -0.126 0.000 0.891 62 L HN 0.265 nan 8.230 nan 0.000 0.431 63 M N -1.032 118.470 119.600 -0.163 0.000 2.117 63 M HA -0.191 4.289 4.480 -0.000 0.000 0.262 63 M C 2.282 178.501 176.300 -0.136 0.000 1.065 63 M CA 1.404 56.583 55.300 -0.203 0.000 1.114 63 M CB -0.369 32.053 32.600 -0.296 0.000 1.361 63 M HN 0.060 nan 8.290 nan 0.000 0.408 64 V N -0.152 119.662 119.914 -0.166 0.000 2.407 64 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 64 V C 2.276 178.318 176.094 -0.086 0.000 1.055 64 V CA 2.097 64.326 62.300 -0.119 0.000 1.049 64 V CB -0.965 30.785 31.823 -0.121 0.000 0.662 64 V HN 0.509 nan 8.190 nan 0.000 0.455 65 T N 0.361 114.854 114.554 -0.101 0.000 2.759 65 T HA -0.138 4.212 4.350 -0.000 0.000 0.269 65 T C 1.850 176.494 174.700 -0.094 0.000 1.042 65 T CA 1.604 63.634 62.100 -0.117 0.000 1.140 65 T CB -0.507 68.313 68.868 -0.079 0.000 0.864 65 T HN 0.634 nan 8.240 nan 0.000 0.455 66 G N 0.555 109.407 108.800 0.087 0.000 2.421 66 G HA2 0.087 4.047 3.960 -0.000 0.000 0.217 66 G HA3 0.087 4.047 3.960 -0.000 0.000 0.217 66 G C 1.684 176.793 174.900 0.349 0.000 1.143 66 G CA 0.711 46.018 45.100 0.345 0.000 0.784 66 G HN 0.569 nan 8.290 nan 0.000 0.541 67 A N 0.055 123.013 122.820 0.230 0.000 2.067 67 A HA 0.125 4.444 4.320 -0.000 0.000 0.217 67 A C 2.201 179.759 177.584 -0.044 0.000 1.156 67 A CA 1.386 53.510 52.037 0.146 0.000 0.683 67 A CB -0.204 18.890 19.000 0.158 0.000 0.808 67 A HN 0.398 nan 8.150 nan 0.000 0.455 68 Q N -1.242 118.459 119.800 -0.164 0.000 2.124 68 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 68 Q C 1.569 177.329 176.000 -0.401 0.000 0.977 68 Q CA 1.883 57.474 55.803 -0.352 0.000 0.850 68 Q CB -0.400 28.061 28.738 -0.461 0.000 0.901 68 Q HN 0.817 nan 8.270 nan 0.000 0.429 69 Y N 0.203 120.469 120.300 -0.058 0.000 2.228 69 Y HA -0.330 4.220 4.550 -0.000 0.000 0.285 69 Y C 2.241 178.124 175.900 -0.028 0.000 1.178 69 Y CA 1.501 59.606 58.100 0.008 0.000 1.202 69 Y CB -0.598 37.871 38.460 0.015 0.000 0.974 69 Y HN 0.240 nan 8.280 nan 0.000 0.527 70 M N 0.223 119.847 119.600 0.040 0.000 2.089 70 M HA -0.314 4.166 4.480 -0.000 0.000 0.257 70 M C 1.248 177.573 176.300 0.040 0.000 1.071 70 M CA 2.452 57.761 55.300 0.015 0.000 1.096 70 M CB -0.137 32.444 32.600 -0.032 0.000 1.330 70 M HN 0.136 nan 8.290 nan 0.000 0.403 71 D N -0.930 119.453 120.400 -0.029 0.000 2.103 71 D HA -0.108 4.532 4.640 -0.000 0.000 0.199 71 D C 1.727 178.065 176.300 0.063 0.000 0.978 71 D CA 1.568 55.556 54.000 -0.020 0.000 0.829 71 D CB -0.587 40.134 40.800 -0.132 0.000 0.981 71 D HN 0.600 nan 8.370 nan 0.000 0.464 72 H N 0.084 119.193 119.070 0.065 0.000 2.319 72 H HA -0.044 4.512 4.556 -0.000 0.000 0.299 72 H C 2.132 177.532 175.328 0.121 0.000 1.092 72 H CA 0.689 56.781 56.048 0.073 0.000 1.302 72 H CB 0.000 29.798 29.762 0.059 0.000 1.373 72 H HN 0.058 nan 8.280 nan 0.000 0.497 73 L N 0.145 121.530 121.223 0.269 0.000 2.046 73 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 73 L C 2.681 179.777 176.870 0.376 0.000 1.077 73 L CA 1.352 56.371 54.840 0.298 0.000 0.747 73 L CB -0.379 41.829 42.059 0.248 0.000 0.896 73 L HN 0.272 nan 8.230 nan 0.000 0.432 74 R N 0.642 121.295 120.500 0.254 0.000 2.073 74 R HA -0.129 4.211 4.340 -0.000 0.000 0.229 74 R C 2.023 178.452 176.300 0.215 0.000 1.120 74 R CA 1.256 57.475 56.100 0.197 0.000 0.967 74 R CB 0.023 30.410 30.300 0.145 0.000 0.862 74 R HN 0.395 nan 8.270 nan 0.000 0.436 75 E N 0.283 120.632 120.200 0.249 0.000 2.274 75 E HA -0.106 4.243 4.350 -0.000 0.000 0.194 75 E C 1.857 178.710 176.600 0.421 0.000 0.996 75 E CA 1.109 57.695 56.400 0.310 0.000 0.840 75 E CB 0.127 30.025 29.700 0.330 0.000 0.772 75 E HN 0.443 nan 8.360 nan 0.000 0.491 76 S N 1.305 117.229 115.700 0.374 0.000 2.399 76 S HA -0.152 4.318 4.470 -0.000 0.000 0.231 76 S C 2.266 177.205 174.600 0.565 0.000 1.022 76 S CA 0.811 59.283 58.200 0.454 0.000 0.983 76 S CB -0.228 63.136 63.200 0.274 0.000 0.803 76 S HN 0.287 nan 8.310 nan 0.000 0.480 77 A N 2.165 125.202 122.820 0.362 0.000 1.892 77 A HA 0.066 4.386 4.320 -0.000 0.000 0.218 77 A C 2.442 180.135 177.584 0.180 0.000 1.188 77 A CA 1.780 53.948 52.037 0.218 0.000 0.631 77 A CB -1.894 17.151 19.000 0.075 0.000 0.822 77 A HN 0.745 nan 8.150 nan 0.000 0.447 78 G N -2.458 106.432 108.800 0.151 0.000 2.535 78 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.218 78 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.218 78 G C 0.825 175.546 174.900 -0.298 0.000 1.122 78 G CA 0.867 45.903 45.100 -0.107 0.000 0.769 78 G HN 0.483 nan 8.290 nan 0.000 0.549 79 F N -0.447 119.599 119.950 0.160 0.000 2.698 79 F HA 0.401 4.928 4.527 -0.000 0.000 0.304 79 F C 1.645 177.481 175.800 0.060 0.000 1.108 79 F CA 0.095 58.186 58.000 0.151 0.000 1.263 79 F CB 0.999 40.154 39.000 0.258 0.000 1.013 79 F HN 0.159 nan 8.300 nan 0.000 0.532 80 G N -0.722 108.156 108.800 0.130 0.000 2.141 80 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.231 80 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.231 80 G C -0.259 174.552 174.900 -0.147 0.000 0.984 80 G CA -0.728 44.338 45.100 -0.056 0.000 0.660 80 G HN 0.245 nan 8.290 nan 0.000 0.525 81 W N 1.265 122.656 121.300 0.153 0.000 2.304 81 W HA 0.624 5.284 4.660 -0.000 0.000 0.313 81 W C 0.649 177.255 176.519 0.145 0.000 1.323 81 W CA -0.358 57.101 57.345 0.191 0.000 1.223 81 W CB 0.633 30.259 29.460 0.277 0.000 1.237 81 W HN 0.156 nan 8.180 nan 0.000 0.535 82 E N 3.483 123.868 120.200 0.309 0.000 2.171 82 E HA 0.619 4.969 4.350 -0.000 0.000 0.271 82 E C -0.788 176.007 176.600 0.325 0.000 0.916 82 E CA -0.788 55.706 56.400 0.157 0.000 0.774 82 E CB 1.383 31.125 29.700 0.069 0.000 1.128 82 E HN 0.312 nan 8.360 nan 0.000 0.403 83 F N -0.784 119.237 119.950 0.117 0.000 2.858 83 F HA 0.310 4.837 4.527 -0.000 0.000 0.319 83 F C -1.294 174.548 175.800 0.070 0.000 1.166 83 F CA -1.440 56.617 58.000 0.095 0.000 0.899 83 F CB 0.685 39.750 39.000 0.107 0.000 1.332 83 F HN 0.135 nan 8.300 nan 0.000 0.461 84 D N 1.056 121.640 120.400 0.307 0.000 2.402 84 D HA 0.307 4.947 4.640 -0.000 0.000 0.235 84 D C 1.223 177.637 176.300 0.191 0.000 1.226 84 D CA 0.519 54.615 54.000 0.159 0.000 0.918 84 D CB 1.103 41.987 40.800 0.139 0.000 1.043 84 D HN 0.876 nan 8.370 nan 0.000 0.506 85 G N 2.172 110.984 108.800 0.020 0.000 2.448 85 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.219 85 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.219 85 G C 1.508 176.458 174.900 0.083 0.000 1.127 85 G CA 0.918 46.042 45.100 0.039 0.000 0.766 85 G HN 0.541 nan 8.290 nan 0.000 0.552 86 S N 1.081 116.818 115.700 0.061 0.000 2.447 86 S HA -0.107 4.363 4.470 -0.000 0.000 0.233 86 S C 2.257 176.901 174.600 0.073 0.000 1.006 86 S CA 1.644 59.878 58.200 0.056 0.000 0.957 86 S CB -0.385 62.839 63.200 0.040 0.000 0.773 86 S HN 0.524 nan 8.310 nan 0.000 0.507 87 S N 0.367 116.128 115.700 0.101 0.000 2.575 87 S HA 0.275 4.745 4.470 -0.000 0.000 0.215 87 S C 0.363 175.016 174.600 0.089 0.000 0.966 87 S CA -0.355 57.899 58.200 0.091 0.000 0.911 87 S CB -0.397 62.861 63.200 0.097 0.000 0.780 87 S HN 0.284 nan 8.310 nan 0.000 0.514 88 V N 2.767 122.748 119.914 0.111 0.000 2.479 88 V HA 0.386 4.506 4.120 -0.000 0.000 0.281 88 V C 0.058 176.189 176.094 0.062 0.000 1.031 88 V CA -0.108 62.250 62.300 0.097 0.000 1.038 88 V CB 0.366 32.279 31.823 0.151 0.000 0.981 88 V HN 0.549 nan 8.190 nan 0.000 0.478 89 K N 4.436 124.862 120.400 0.044 0.000 2.426 89 K HA 0.805 5.125 4.320 -0.000 0.000 0.251 89 K C -0.756 175.864 176.600 0.034 0.000 0.941 89 K CA -0.595 55.719 56.287 0.045 0.000 0.808 89 K CB 2.088 34.622 32.500 0.057 0.000 1.265 89 K HN 0.664 nan 8.250 nan 0.000 0.432 90 A N 3.529 126.371 122.820 0.035 0.000 2.341 90 A HA 0.271 4.591 4.320 -0.000 0.000 0.326 90 A C -0.741 176.977 177.584 0.224 0.000 1.402 90 A CA -0.695 51.353 52.037 0.019 0.000 0.957 90 A CB -0.033 18.851 19.000 -0.193 0.000 1.151 90 A HN 0.721 nan 8.150 nan 0.000 0.533 91 N N 3.289 122.141 118.700 0.253 0.000 2.508 91 N HA -0.043 4.697 4.740 -0.000 0.000 0.253 91 N C 0.982 176.721 175.510 0.383 0.000 1.145 91 N CA -0.433 52.786 53.050 0.282 0.000 0.973 91 N CB 0.035 38.617 38.487 0.159 0.000 1.305 91 N HN 0.892 nan 8.380 nan 0.000 0.506 92 W N 4.440 125.896 121.300 0.260 0.000 2.321 92 W HA -0.217 4.443 4.660 -0.000 0.000 0.306 92 W C 0.850 177.386 176.519 0.028 0.000 1.217 92 W CA 1.199 58.610 57.345 0.111 0.000 1.257 92 W CB 0.226 29.766 29.460 0.134 0.000 1.145 92 W HN 0.478 nan 8.180 nan 0.000 0.509 93 K N 0.256 120.746 120.400 0.149 0.000 2.097 93 K HA -0.214 4.106 4.320 -0.000 0.000 0.206 93 K C 2.051 178.611 176.600 -0.067 0.000 1.049 93 K CA 1.598 57.902 56.287 0.029 0.000 0.933 93 K CB -0.247 32.329 32.500 0.127 0.000 0.717 93 K HN -0.073 nan 8.250 nan 0.000 0.442 94 K N 0.958 121.344 120.400 -0.023 0.000 2.057 94 K HA -0.131 4.189 4.320 -0.000 0.000 0.207 94 K C 1.943 178.473 176.600 -0.117 0.000 1.049 94 K CA 0.772 57.036 56.287 -0.038 0.000 0.931 94 K CB -0.183 32.324 32.500 0.012 0.000 0.714 94 K HN -0.025 nan 8.250 nan 0.000 0.440 95 L N 0.736 121.840 121.223 -0.197 0.000 1.989 95 L HA -0.188 4.152 4.340 -0.000 0.000 0.211 95 L C 1.839 178.469 176.870 -0.399 0.000 1.071 95 L CA 1.700 56.341 54.840 -0.332 0.000 0.749 95 L CB -0.432 41.259 42.059 -0.614 0.000 0.890 95 L HN 0.206 nan 8.230 nan 0.000 0.431 96 I N -0.068 120.177 120.570 -0.541 0.000 2.252 96 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 96 I C 2.669 178.652 176.117 -0.224 0.000 1.102 96 I CA 1.444 62.468 61.300 -0.459 0.000 1.385 96 I CB -1.916 35.764 38.000 -0.533 0.000 1.064 96 I HN 0.377 nan 8.210 nan 0.000 0.414 97 A N 0.708 123.433 122.820 -0.159 0.000 1.933 97 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 97 A C 2.531 180.068 177.584 -0.078 0.000 1.175 97 A CA 1.844 53.839 52.037 -0.070 0.000 0.628 97 A CB -0.591 18.387 19.000 -0.037 0.000 0.814 97 A HN 0.412 nan 8.150 nan 0.000 0.444 98 A N -0.223 122.532 122.820 -0.109 0.000 1.898 98 A HA -0.056 4.264 4.320 -0.000 0.000 0.214 98 A C 2.146 179.653 177.584 -0.128 0.000 1.183 98 A CA 1.682 53.658 52.037 -0.102 0.000 0.622 98 A CB -0.388 18.557 19.000 -0.092 0.000 0.824 98 A HN 0.386 nan 8.150 nan 0.000 0.444 99 K N 0.451 120.749 120.400 -0.170 0.000 2.032 99 K HA -0.231 4.089 4.320 -0.000 0.000 0.209 99 K C 1.544 178.013 176.600 -0.218 0.000 1.048 99 K CA 2.016 58.187 56.287 -0.194 0.000 0.927 99 K CB -0.524 31.841 32.500 -0.225 0.000 0.712 99 K HN 0.375 nan 8.250 nan 0.000 0.441 100 N N 1.483 120.070 118.700 -0.188 0.000 2.043 100 N HA -0.208 4.532 4.740 -0.000 0.000 0.193 100 N C 1.756 177.176 175.510 -0.150 0.000 1.037 100 N CA 1.836 54.775 53.050 -0.186 0.000 0.851 100 N CB -0.369 38.151 38.487 0.055 0.000 1.027 100 N HN 0.497 nan 8.380 nan 0.000 0.422 101 E N 0.203 120.361 120.200 -0.070 0.000 2.204 101 E HA -0.033 4.317 4.350 -0.000 0.000 0.194 101 E C 1.629 178.184 176.600 -0.074 0.000 0.989 101 E CA 1.150 57.525 56.400 -0.041 0.000 0.824 101 E CB -0.057 29.624 29.700 -0.031 0.000 0.756 101 E HN 0.342 nan 8.360 nan 0.000 0.477 102 A N 0.269 123.021 122.820 -0.114 0.000 1.898 102 A HA -0.012 4.308 4.320 -0.000 0.000 0.214 102 A C 2.393 179.898 177.584 -0.132 0.000 1.183 102 A CA 1.036 53.004 52.037 -0.115 0.000 0.622 102 A CB -0.536 18.393 19.000 -0.119 0.000 0.824 102 A HN 0.197 nan 8.150 nan 0.000 0.444 103 V N -0.026 119.773 119.914 -0.192 0.000 2.287 103 V HA -0.254 3.865 4.120 -0.000 0.000 0.248 103 V C 2.507 178.543 176.094 -0.096 0.000 1.053 103 V CA 2.031 64.211 62.300 -0.199 0.000 1.027 103 V CB -0.843 30.753 31.823 -0.379 0.000 0.646 103 V HN 0.577 nan 8.190 nan 0.000 0.447 104 L N 0.426 121.614 121.223 -0.059 0.000 2.043 104 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 104 L C 2.149 179.027 176.870 0.014 0.000 1.075 104 L CA 2.146 57.042 54.840 0.094 0.000 0.752 104 L CB -0.891 41.260 42.059 0.155 0.000 0.891 104 L HN 0.335 nan 8.230 nan 0.000 0.432 105 D N -0.360 120.018 120.400 -0.036 0.000 2.133 105 D HA -0.226 4.414 4.640 -0.000 0.000 0.195 105 D C 2.271 178.512 176.300 -0.099 0.000 0.997 105 D CA 2.008 55.970 54.000 -0.063 0.000 0.840 105 D CB -0.145 40.609 40.800 -0.078 0.000 0.947 105 D HN 0.470 nan 8.370 nan 0.000 0.452 106 I N 1.085 121.583 120.570 -0.121 0.000 2.202 106 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 106 I C 2.064 178.094 176.117 -0.144 0.000 1.091 106 I CA 0.683 61.860 61.300 -0.206 0.000 1.368 106 I CB -0.366 37.515 38.000 -0.199 0.000 1.058 106 I HN -0.061 nan 8.210 nan 0.000 0.410 107 N N 1.607 120.312 118.700 0.009 0.000 2.060 107 N HA -0.227 4.513 4.740 -0.000 0.000 0.195 107 N C 1.751 177.286 175.510 0.042 0.000 1.028 107 N CA 1.578 54.683 53.050 0.091 0.000 0.861 107 N CB -0.393 38.154 38.487 0.101 0.000 1.029 107 N HN 0.420 nan 8.380 nan 0.000 0.428 108 K N 0.475 120.874 120.400 -0.001 0.000 2.283 108 K HA 0.003 4.323 4.320 -0.000 0.000 0.202 108 K C 2.022 178.606 176.600 -0.027 0.000 1.048 108 K CA 1.033 57.313 56.287 -0.011 0.000 0.948 108 K CB 0.032 32.523 32.500 -0.016 0.000 0.742 108 K HN 0.245 nan 8.250 nan 0.000 0.458 109 S N -0.837 114.816 115.700 -0.080 0.000 2.503 109 S HA -0.003 4.467 4.470 -0.000 0.000 0.215 109 S C 1.603 176.142 174.600 -0.103 0.000 1.003 109 S CA -0.115 58.015 58.200 -0.117 0.000 0.910 109 S CB -0.134 62.955 63.200 -0.185 0.000 0.790 109 S HN 0.167 nan 8.310 nan 0.000 0.514 110 Y N 2.287 122.555 120.300 -0.055 0.000 2.314 110 Y HA 0.210 4.760 4.550 -0.000 0.000 0.293 110 Y C 2.507 178.426 175.900 0.033 0.000 1.129 110 Y CA 0.667 58.744 58.100 -0.038 0.000 1.201 110 Y CB -0.519 37.925 38.460 -0.027 0.000 0.999 110 Y HN 0.422 nan 8.280 nan 0.000 0.541 111 E N -0.680 119.609 120.200 0.148 0.000 2.028 111 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 111 E C 2.535 179.207 176.600 0.120 0.000 0.988 111 E CA 0.999 57.452 56.400 0.088 0.000 0.799 111 E CB -0.495 29.205 29.700 -0.000 0.000 0.755 111 E HN 0.489 nan 8.360 nan 0.000 0.447 112 G N 1.337 110.177 108.800 0.066 0.000 2.469 112 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.220 112 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.220 112 G C 1.513 176.456 174.900 0.071 0.000 1.136 112 G CA 1.084 46.216 45.100 0.052 0.000 0.759 112 G HN 0.255 nan 8.290 nan 0.000 0.562 113 M N -0.687 118.953 119.600 0.067 0.000 2.065 113 M HA -0.044 4.436 4.480 -0.000 0.000 0.259 113 M C 2.296 178.615 176.300 0.033 0.000 1.069 113 M CA 1.679 57.000 55.300 0.035 0.000 1.110 113 M CB -0.235 32.346 32.600 -0.031 0.000 1.328 113 M HN 0.201 nan 8.290 nan 0.000 0.405 114 F N 0.979 120.982 119.950 0.088 0.000 2.171 114 F HA -0.206 4.321 4.527 -0.000 0.000 0.300 114 F C 2.212 178.049 175.800 0.061 0.000 1.090 114 F CA 1.404 59.451 58.000 0.078 0.000 1.293 114 F CB -0.742 38.283 39.000 0.041 0.000 1.013 114 F HN 0.326 nan 8.300 nan 0.000 0.486 115 N N -0.128 118.698 118.700 0.210 0.000 2.216 115 N HA -0.127 4.613 4.740 -0.000 0.000 0.183 115 N C 1.145 176.713 175.510 0.097 0.000 1.017 115 N CA 1.318 54.446 53.050 0.129 0.000 0.861 115 N CB -0.403 38.138 38.487 0.090 0.000 0.986 115 N HN 0.286 nan 8.380 nan 0.000 0.428 116 D N -0.179 120.276 120.400 0.091 0.000 2.348 116 D HA 0.039 4.679 4.640 -0.000 0.000 0.211 116 D C -0.056 176.286 176.300 0.070 0.000 0.998 116 D CA 0.561 54.604 54.000 0.072 0.000 0.873 116 D CB 0.320 41.161 40.800 0.069 0.000 0.925 116 D HN 0.045 nan 8.370 nan 0.000 0.524 117 T N 1.350 115.951 114.554 0.079 0.000 2.770 117 T HA 0.255 4.605 4.350 -0.000 0.000 0.283 117 T C 0.064 174.788 174.700 0.039 0.000 0.988 117 T CA -0.601 61.526 62.100 0.044 0.000 0.957 117 T CB 2.123 71.016 68.868 0.042 0.000 0.930 117 T HN -0.101 nan 8.240 nan 0.000 0.443 118 E N 1.192 121.397 120.200 0.009 0.000 2.373 118 E HA 0.429 4.779 4.350 -0.000 0.000 0.267 118 E C 1.155 177.764 176.600 0.016 0.000 1.032 118 E CA 0.189 56.602 56.400 0.021 0.000 0.889 118 E CB 0.597 30.298 29.700 0.002 0.000 0.984 118 E HN 0.950 nan 8.360 nan 0.000 0.425 119 G N 2.467 111.307 108.800 0.066 0.000 2.143 119 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.249 119 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.249 119 G C -0.310 174.672 174.900 0.136 0.000 0.981 119 G CA 0.059 45.211 45.100 0.088 0.000 0.665 119 G HN 0.357 nan 8.290 nan 0.000 0.528 120 L N 1.771 123.090 121.223 0.159 0.000 2.442 120 L HA 0.580 4.920 4.340 -0.000 0.000 0.261 120 L C -1.186 175.932 176.870 0.413 0.000 1.000 120 L CA -0.988 53.984 54.840 0.219 0.000 0.882 120 L CB 1.185 43.275 42.059 0.051 0.000 1.207 120 L HN 0.127 nan 8.230 nan 0.000 0.443 121 D N 4.042 124.675 120.400 0.389 0.000 2.362 121 D HA 0.281 4.921 4.640 -0.000 0.000 0.247 121 D C -1.183 175.072 176.300 -0.075 0.000 1.050 121 D CA -0.193 53.927 54.000 0.199 0.000 0.839 121 D CB 2.492 43.348 40.800 0.094 0.000 1.283 121 D HN 0.271 nan 8.370 nan 0.000 0.477 122 F N 2.293 121.833 119.950 -0.683 0.000 2.420 122 F HA 0.497 5.024 4.527 -0.000 0.000 0.342 122 F C -1.436 173.809 175.800 -0.925 0.000 1.113 122 F CA -0.740 56.629 58.000 -1.051 0.000 1.059 122 F CB 0.637 38.608 39.000 -1.715 0.000 1.128 122 F HN 0.125 nan 8.300 nan 0.000 0.475 123 F N 6.740 125.941 119.950 -1.249 0.000 2.467 123 F HA 0.430 4.957 4.527 -0.000 0.000 0.336 123 F C -0.726 174.359 175.800 -1.192 0.000 1.123 123 F CA -1.062 56.382 58.000 -0.928 0.000 0.964 123 F CB 1.579 40.287 39.000 -0.487 0.000 1.136 123 F HN 0.312 nan 8.300 nan 0.000 0.447 124 L N 3.628 124.538 121.223 -0.522 0.000 2.360 124 L HA 0.774 5.114 4.340 -0.000 0.000 0.276 124 L C 0.190 176.983 176.870 -0.129 0.000 1.121 124 L CA 0.619 55.313 54.840 -0.244 0.000 0.845 124 L CB -0.069 42.004 42.059 0.022 0.000 1.143 124 L HN 0.785 nan 8.230 nan 0.000 0.452 125 G N 3.296 111.988 108.800 -0.180 0.000 2.339 125 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.275 125 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.275 125 G C -2.096 172.637 174.900 -0.279 0.000 1.323 125 G CA -0.727 44.312 45.100 -0.101 0.000 0.927 125 G HN 0.472 nan 8.290 nan 0.000 0.486 126 W N 1.285 122.499 121.300 -0.143 0.000 2.294 126 W HA 0.594 5.254 4.660 -0.000 0.000 0.314 126 W C 0.726 177.163 176.519 -0.137 0.000 1.044 126 W CA 0.237 57.484 57.345 -0.164 0.000 1.284 126 W CB 1.726 31.075 29.460 -0.185 0.000 1.231 126 W HN 0.886 nan 8.180 nan 0.000 0.419 127 G N 2.246 111.050 108.800 0.006 0.000 2.403 127 G HA2 0.529 4.489 3.960 -0.000 0.000 0.259 127 G HA3 0.529 4.489 3.960 -0.000 0.000 0.259 127 G C -0.464 174.447 174.900 0.018 0.000 1.244 127 G CA -0.335 44.755 45.100 -0.016 0.000 0.849 127 G HN 0.383 nan 8.290 nan 0.000 0.532 128 S N 0.702 116.401 115.700 -0.002 0.000 2.618 128 S HA 0.576 5.046 4.470 -0.000 0.000 0.277 128 S C -1.203 173.386 174.600 -0.018 0.000 1.138 128 S CA -0.945 57.252 58.200 -0.004 0.000 0.844 128 S CB 1.766 64.963 63.200 -0.004 0.000 1.127 128 S HN 0.345 nan 8.310 nan 0.000 0.474 129 L N 2.082 123.295 121.223 -0.017 0.000 2.260 129 L HA 0.468 4.808 4.340 -0.000 0.000 0.289 129 L C 1.395 178.251 176.870 -0.023 0.000 1.057 129 L CA 0.324 55.152 54.840 -0.021 0.000 0.811 129 L CB 0.481 42.528 42.059 -0.020 0.000 1.184 129 L HN 1.027 nan 8.230 nan 0.000 0.429 130 E N 1.533 121.719 120.200 -0.025 0.000 2.127 130 E HA 0.061 4.411 4.350 -0.000 0.000 0.191 130 E C 0.054 176.640 176.600 -0.023 0.000 0.964 130 E CA 0.622 57.007 56.400 -0.025 0.000 0.832 130 E CB 0.601 30.285 29.700 -0.027 0.000 0.790 130 E HN 0.691 nan 8.360 nan 0.000 0.465 131 S N -1.789 113.897 115.700 -0.023 0.000 2.615 131 S HA 0.281 4.751 4.470 -0.000 0.000 0.269 131 S C 0.284 174.868 174.600 -0.026 0.000 1.161 131 S CA -0.834 57.352 58.200 -0.024 0.000 0.817 131 S CB 1.411 64.598 63.200 -0.022 0.000 1.131 131 S HN 0.042 nan 8.310 nan 0.000 0.467 132 K N 0.803 121.185 120.400 -0.029 0.000 2.159 132 K HA -0.275 4.045 4.320 -0.000 0.000 0.217 132 K C 0.258 176.838 176.600 -0.034 0.000 1.048 132 K CA 2.643 58.908 56.287 -0.036 0.000 0.941 132 K CB -0.550 31.928 32.500 -0.036 0.000 0.738 132 K HN 0.713 nan 8.250 nan 0.000 0.469 133 N N -1.110 117.575 118.700 -0.025 0.000 2.299 133 N HA 0.118 4.858 4.740 -0.000 0.000 0.246 133 N C -1.663 173.846 175.510 -0.003 0.000 1.254 133 N CA -0.166 52.875 53.050 -0.016 0.000 0.879 133 N CB 1.616 40.091 38.487 -0.020 0.000 1.214 133 N HN -0.168 nan 8.380 nan 0.000 0.510 134 V N 0.874 120.782 119.914 -0.010 0.000 2.525 134 V HA 0.438 4.558 4.120 -0.000 0.000 0.299 134 V C -0.428 175.654 176.094 -0.021 0.000 1.034 134 V CA -0.898 61.395 62.300 -0.011 0.000 0.863 134 V CB 2.086 33.898 31.823 -0.017 0.000 0.999 134 V HN -0.216 nan 8.190 nan 0.000 0.423 135 V N 5.526 125.423 119.914 -0.029 0.000 2.347 135 V HA 0.406 4.526 4.120 -0.000 0.000 0.280 135 V C 0.014 176.065 176.094 -0.072 0.000 1.021 135 V CA -0.587 61.684 62.300 -0.048 0.000 0.847 135 V CB 1.830 33.618 31.823 -0.057 0.000 0.990 135 V HN 0.663 nan 8.190 nan 0.000 0.444 136 V N 5.695 125.574 119.914 -0.059 0.000 2.498 136 V HA 0.373 4.493 4.120 -0.000 0.000 0.279 136 V C 0.078 176.133 176.094 -0.065 0.000 1.048 136 V CA -0.584 61.677 62.300 -0.065 0.000 0.967 136 V CB 1.413 33.210 31.823 -0.043 0.000 0.988 136 V HN 0.582 nan 8.190 nan 0.000 0.473 137 V N 6.035 125.895 119.914 -0.090 0.000 2.347 137 V HA 0.496 4.616 4.120 -0.000 0.000 0.280 137 V C 0.313 176.399 176.094 -0.014 0.000 1.021 137 V CA -0.643 61.619 62.300 -0.064 0.000 0.847 137 V CB 0.681 32.427 31.823 -0.128 0.000 0.990 137 V HN 0.851 nan 8.190 nan 0.000 0.444 138 R N 2.703 123.231 120.500 0.048 0.000 2.720 138 R HA 0.458 4.798 4.340 -0.000 0.000 0.272 138 R C 0.762 177.134 176.300 0.120 0.000 0.991 138 R CA -0.866 55.263 56.100 0.049 0.000 1.010 138 R CB 1.654 31.957 30.300 0.006 0.000 1.141 138 R HN 0.609 nan 8.270 nan 0.000 0.494 139 E N 0.669 120.915 120.200 0.077 0.000 2.114 139 E HA -0.184 4.166 4.350 -0.000 0.000 0.199 139 E C 0.970 177.661 176.600 0.152 0.000 1.008 139 E CA 2.136 58.605 56.400 0.115 0.000 0.810 139 E CB -0.029 29.703 29.700 0.053 0.000 0.739 139 E HN 0.729 nan 8.360 nan 0.000 0.456 140 T N -4.375 110.113 114.554 -0.111 0.000 2.831 140 T HA 0.636 4.986 4.350 -0.000 0.000 0.287 140 T C 0.850 174.900 174.700 -1.083 0.000 1.070 140 T CA -0.244 61.478 62.100 -0.629 0.000 1.010 140 T CB 1.737 70.379 68.868 -0.377 0.000 1.264 140 T HN -0.062 nan 8.240 nan 0.000 0.532 141 A N -0.255 121.575 122.820 -1.649 0.000 2.067 141 A HA 0.158 4.478 4.320 -0.000 0.000 0.217 141 A C 1.054 178.315 177.584 -0.538 0.000 1.156 141 A CA 0.531 51.832 52.037 -1.228 0.000 0.683 141 A CB -0.820 17.276 19.000 -1.508 0.000 0.808 141 A HN 0.841 nan 8.150 nan 0.000 0.455 142 D N 0.531 120.671 120.400 -0.434 0.000 2.412 142 D HA 0.086 4.726 4.640 -0.000 0.000 0.257 142 D C -1.508 174.682 176.300 -0.184 0.000 1.217 142 D CA -1.576 52.277 54.000 -0.244 0.000 0.897 142 D CB 1.169 41.855 40.800 -0.190 0.000 1.132 142 D HN 0.142 nan 8.370 nan 0.000 0.493 143 P HA -0.084 nan 4.420 nan 0.000 0.226 143 P C 0.537 177.794 177.300 -0.072 0.000 1.153 143 P CA 0.807 63.852 63.100 -0.092 0.000 0.777 143 P CB 0.232 31.889 31.700 -0.073 0.000 0.794 144 K N 0.245 120.600 120.400 -0.074 0.000 2.525 144 K HA 0.065 4.385 4.320 -0.000 0.000 0.192 144 K C 1.148 177.715 176.600 -0.055 0.000 1.029 144 K CA 0.099 56.352 56.287 -0.057 0.000 1.029 144 K CB -0.221 32.249 32.500 -0.051 0.000 0.814 144 K HN 0.242 nan 8.250 nan 0.000 0.503 145 S N 0.811 116.468 115.700 -0.071 0.000 2.608 145 S HA 0.396 4.866 4.470 -0.000 0.000 0.261 145 S C 0.391 174.967 174.600 -0.040 0.000 1.314 145 S CA -0.999 57.163 58.200 -0.062 0.000 0.992 145 S CB 1.093 64.238 63.200 -0.091 0.000 0.935 145 S HN 0.195 nan 8.310 nan 0.000 0.564 146 A N 1.041 123.847 122.820 -0.025 0.000 2.462 146 A HA 0.484 4.804 4.320 -0.000 0.000 0.243 146 A C 0.063 177.642 177.584 -0.009 0.000 1.076 146 A CA -0.628 51.401 52.037 -0.013 0.000 0.773 146 A CB -0.232 18.765 19.000 -0.004 0.000 1.010 146 A HN 0.834 nan 8.150 nan 0.000 0.493 147 V N 3.505 123.411 119.914 -0.012 0.000 2.498 147 V HA 0.140 4.260 4.120 -0.000 0.000 0.279 147 V C 0.963 177.049 176.094 -0.013 0.000 1.048 147 V CA 0.030 62.320 62.300 -0.017 0.000 0.967 147 V CB 1.147 32.955 31.823 -0.025 0.000 0.988 147 V HN 1.071 nan 8.190 nan 0.000 0.473 148 K N 2.306 122.696 120.400 -0.017 0.000 2.214 148 K HA 0.261 4.580 4.320 -0.000 0.000 0.201 148 K C 0.203 176.775 176.600 -0.047 0.000 1.049 148 K CA 0.423 56.702 56.287 -0.013 0.000 0.978 148 K CB 0.439 32.942 32.500 0.006 0.000 0.842 148 K HN 0.641 nan 8.250 nan 0.000 0.474 149 E N 0.315 120.455 120.200 -0.099 0.000 2.433 149 E HA 0.368 4.718 4.350 -0.000 0.000 0.278 149 E C -1.165 175.339 176.600 -0.159 0.000 0.976 149 E CA -0.657 55.636 56.400 -0.178 0.000 0.793 149 E CB 2.259 31.723 29.700 -0.395 0.000 1.311 149 E HN -0.018 nan 8.360 nan 0.000 0.460 150 R N 0.927 121.333 120.500 -0.156 0.000 2.512 150 R HA 0.479 4.819 4.340 -0.000 0.000 0.291 150 R C -0.871 175.374 176.300 -0.092 0.000 1.097 150 R CA -0.371 55.666 56.100 -0.106 0.000 0.940 150 R CB 1.229 31.492 30.300 -0.062 0.000 1.198 150 R HN 0.270 nan 8.270 nan 0.000 0.429 151 L N 2.581 123.754 121.223 -0.083 0.000 2.341 151 L HA 0.504 4.844 4.340 -0.000 0.000 0.278 151 L C -0.067 176.842 176.870 0.065 0.000 1.005 151 L CA -1.097 53.755 54.840 0.019 0.000 0.818 151 L CB 1.786 43.792 42.059 -0.089 0.000 1.259 151 L HN 0.467 nan 8.230 nan 0.000 0.418 152 Q N 2.292 122.172 119.800 0.132 0.000 2.226 152 Q HA 0.903 5.243 4.340 -0.000 0.000 0.256 152 Q C -0.850 175.247 176.000 0.161 0.000 0.962 152 Q CA -0.971 54.888 55.803 0.093 0.000 0.887 152 Q CB 2.608 31.373 28.738 0.045 0.000 1.282 152 Q HN 0.721 nan 8.270 nan 0.000 0.449 153 A N 1.252 124.133 122.820 0.103 0.000 2.574 153 A HA 0.367 4.687 4.320 -0.000 0.000 0.297 153 A C -0.680 176.925 177.584 0.034 0.000 1.062 153 A CA -0.750 51.364 52.037 0.128 0.000 0.686 153 A CB 1.374 20.462 19.000 0.146 0.000 1.285 153 A HN 0.751 nan 8.150 nan 0.000 0.403 154 D N 0.727 121.121 120.400 -0.010 0.000 2.183 154 D HA 0.014 4.654 4.640 -0.000 0.000 0.203 154 D C -0.012 176.066 176.300 -0.370 0.000 0.969 154 D CA 1.703 55.551 54.000 -0.254 0.000 0.842 154 D CB 0.011 40.543 40.800 -0.446 0.000 0.957 154 D HN 0.580 nan 8.370 nan 0.000 0.484 155 H N -0.783 118.392 119.070 0.176 0.000 2.759 155 H HA 0.474 5.030 4.556 -0.000 0.000 0.354 155 H C -0.423 175.018 175.328 0.188 0.000 1.074 155 H CA -0.553 55.620 56.048 0.208 0.000 1.226 155 H CB 1.790 31.734 29.762 0.303 0.000 1.648 155 H HN -0.125 nan 8.280 nan 0.000 0.529 156 I N 3.835 124.548 120.570 0.238 0.000 2.418 156 I HA 0.135 4.305 4.170 -0.000 0.000 0.287 156 I C -0.763 175.461 176.117 0.178 0.000 1.008 156 I CA -0.774 60.614 61.300 0.145 0.000 1.104 156 I CB 2.199 40.221 38.000 0.038 0.000 1.264 156 I HN 0.176 nan 8.210 nan 0.000 0.438 157 L N 8.040 129.375 121.223 0.188 0.000 2.313 157 L HA 0.572 4.912 4.340 -0.000 0.000 0.283 157 L C -1.178 175.760 176.870 0.113 0.000 1.013 157 L CA -0.183 54.772 54.840 0.193 0.000 0.816 157 L CB 1.332 43.512 42.059 0.202 0.000 1.236 157 L HN 0.432 nan 8.230 nan 0.000 0.419 158 L N 6.143 127.427 121.223 0.101 0.000 2.257 158 L HA 0.724 5.064 4.340 -0.000 0.000 0.290 158 L C 0.274 177.186 176.870 0.071 0.000 1.044 158 L CA -0.306 54.574 54.840 0.066 0.000 0.810 158 L CB 1.398 43.487 42.059 0.050 0.000 1.193 158 L HN 0.852 nan 8.230 nan 0.000 0.425 159 A N 0.993 123.848 122.820 0.058 0.000 3.292 159 A HA 0.248 4.568 4.320 -0.000 0.000 0.231 159 A C 0.735 178.347 177.584 0.047 0.000 0.952 159 A CA -0.237 51.836 52.037 0.060 0.000 1.044 159 A CB -0.081 18.961 19.000 0.069 0.000 1.236 159 A HN 0.702 nan 8.150 nan 0.000 0.525 160 T N -2.508 112.069 114.554 0.039 0.000 3.219 160 T HA 0.440 4.790 4.350 -0.000 0.000 0.249 160 T C 1.353 176.090 174.700 0.062 0.000 1.099 160 T CA 0.960 63.076 62.100 0.027 0.000 0.988 160 T CB -0.410 68.461 68.868 0.006 0.000 0.999 160 T HN 1.981 nan 8.240 nan 0.000 0.550 161 G N 2.063 110.910 108.800 0.079 0.000 2.581 161 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.291 161 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.291 161 G C 0.114 175.094 174.900 0.134 0.000 1.277 161 G CA 0.338 45.501 45.100 0.106 0.000 0.959 161 G HN 1.502 nan 8.290 nan 0.000 0.554 162 S N -1.727 114.082 115.700 0.181 0.000 2.841 162 S HA 0.831 5.301 4.470 -0.000 0.000 0.318 162 S C -0.653 174.170 174.600 0.372 0.000 1.127 162 S CA 0.153 58.481 58.200 0.214 0.000 0.883 162 S CB 2.670 65.963 63.200 0.155 0.000 1.271 162 S HN 1.654 nan 8.310 nan 0.000 0.567 163 W N 0.260 121.607 121.300 0.078 0.000 3.146 163 W HA 0.409 5.069 4.660 -0.000 0.000 0.319 163 W C -3.412 173.155 176.519 0.080 0.000 1.258 163 W CA -2.185 55.213 57.345 0.090 0.000 1.189 163 W CB 1.557 31.076 29.460 0.098 0.000 1.412 163 W HN 0.470 nan 8.180 nan 0.000 0.567 164 P HA 0.028 nan 4.420 nan 0.000 0.271 164 P C -0.747 176.550 177.300 -0.006 0.000 1.220 164 P CA 0.472 63.470 63.100 -0.171 0.000 0.768 164 P CB 0.680 32.176 31.700 -0.340 0.000 0.848 165 Q N 3.014 122.842 119.800 0.046 0.000 2.314 165 Q HA 0.335 4.675 4.340 -0.000 0.000 0.258 165 Q C -0.866 175.161 176.000 0.045 0.000 0.954 165 Q CA -0.109 55.740 55.803 0.076 0.000 0.890 165 Q CB 0.418 29.203 28.738 0.077 0.000 1.210 165 Q HN 0.332 nan 8.270 nan 0.000 0.410 166 M N 5.424 125.058 119.600 0.057 0.000 2.190 166 M HA 0.427 4.907 4.480 -0.000 0.000 0.312 166 M C -2.358 173.963 176.300 0.035 0.000 0.990 166 M CA -2.346 52.975 55.300 0.036 0.000 0.927 166 M CB 1.125 33.749 32.600 0.040 0.000 1.571 166 M HN 0.489 nan 8.290 nan 0.000 0.427 167 P HA 0.335 nan 4.420 nan 0.000 0.277 167 P C -0.374 176.932 177.300 0.010 0.000 1.240 167 P CA -0.473 62.638 63.100 0.019 0.000 0.798 167 P CB 0.587 32.295 31.700 0.014 0.000 0.979 168 A N 3.154 125.981 122.820 0.011 0.000 3.074 168 A HA 0.317 4.637 4.320 -0.000 0.000 0.251 168 A C 0.799 178.381 177.584 -0.004 0.000 1.695 168 A CA -0.493 51.547 52.037 0.005 0.000 1.343 168 A CB -1.748 17.258 19.000 0.010 0.000 1.078 168 A HN 0.574 nan 8.150 nan 0.000 0.644 169 I N -2.658 117.905 120.570 -0.013 0.000 2.566 169 I HA 0.567 4.737 4.170 -0.000 0.000 0.303 169 I C -2.449 173.652 176.117 -0.028 0.000 0.983 169 I CA -2.883 58.405 61.300 -0.020 0.000 1.235 169 I CB 1.156 39.138 38.000 -0.029 0.000 1.386 169 I HN 0.008 nan 8.210 nan 0.000 0.494 170 P HA 0.117 nan 4.420 nan 0.000 0.267 170 P C 0.704 177.984 177.300 -0.032 0.000 1.205 170 P CA 0.750 63.835 63.100 -0.025 0.000 0.765 170 P CB 0.809 32.503 31.700 -0.009 0.000 0.828 171 G N 3.168 111.927 108.800 -0.069 0.000 2.157 171 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.248 171 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.248 171 G C 0.744 175.559 174.900 -0.142 0.000 0.979 171 G CA 0.160 45.197 45.100 -0.105 0.000 0.650 171 G HN 0.526 nan 8.290 nan 0.000 0.529 172 I N 1.818 122.324 120.570 -0.107 0.000 2.300 172 I HA -0.182 3.988 4.170 -0.000 0.000 0.252 172 I C 2.607 178.661 176.117 -0.106 0.000 1.119 172 I CA 2.639 63.891 61.300 -0.079 0.000 1.384 172 I CB -0.034 37.939 38.000 -0.044 0.000 1.062 172 I HN 0.521 nan 8.210 nan 0.000 0.426 173 E N -0.456 119.622 120.200 -0.203 0.000 2.401 173 E HA -0.263 4.087 4.350 -0.000 0.000 0.199 173 E C 1.154 177.645 176.600 -0.181 0.000 1.023 173 E CA 1.557 57.836 56.400 -0.202 0.000 0.859 173 E CB -0.954 28.600 29.700 -0.243 0.000 0.780 173 E HN 0.733 nan 8.360 nan 0.000 0.523 174 H N -0.719 118.347 119.070 -0.006 0.000 2.529 174 H HA 0.249 4.805 4.556 -0.000 0.000 0.277 174 H C 0.114 175.426 175.328 -0.028 0.000 1.004 174 H CA -0.584 55.456 56.048 -0.014 0.000 1.167 174 H CB 0.362 30.114 29.762 -0.017 0.000 1.445 174 H HN 0.112 nan 8.280 nan 0.000 0.554 175 C N 1.290 120.615 119.300 0.041 0.000 2.401 175 C HA 0.545 5.005 4.460 -0.000 0.000 0.356 175 C C 0.738 175.719 174.990 -0.014 0.000 1.192 175 C CA -0.973 58.045 59.018 -0.001 0.000 2.028 175 C CB 1.025 28.751 27.740 -0.023 0.000 2.344 175 C HN 0.454 nan 8.230 nan 0.000 0.525 176 I N 0.205 120.748 120.570 -0.044 0.000 3.237 176 I HA 0.869 5.039 4.170 -0.000 0.000 0.308 176 I C 0.043 176.094 176.117 -0.109 0.000 1.093 176 I CA -0.171 61.090 61.300 -0.065 0.000 1.001 176 I CB 1.903 39.865 38.000 -0.064 0.000 1.245 176 I HN 0.704 nan 8.210 nan 0.000 0.485 177 S N 0.211 115.814 115.700 -0.163 0.000 2.798 177 S HA 0.364 4.834 4.470 -0.000 0.000 0.312 177 S C 0.953 175.385 174.600 -0.280 0.000 1.122 177 S CA 0.032 58.105 58.200 -0.212 0.000 0.949 177 S CB 1.059 64.102 63.200 -0.261 0.000 1.235 177 S HN 0.894 nan 8.310 nan 0.000 0.552 178 S N 1.217 116.737 115.700 -0.299 0.000 2.400 178 S HA -0.182 4.288 4.470 -0.000 0.000 0.232 178 S C 1.432 175.957 174.600 -0.125 0.000 1.025 178 S CA 1.314 59.278 58.200 -0.394 0.000 0.993 178 S CB -1.109 62.023 63.200 -0.112 0.000 0.808 178 S HN 0.678 nan 8.310 nan 0.000 0.478 179 N N 2.262 120.853 118.700 -0.181 0.000 2.061 179 N HA -0.113 4.627 4.740 -0.000 0.000 0.193 179 N C 1.585 176.986 175.510 -0.182 0.000 1.030 179 N CA 1.913 54.791 53.050 -0.288 0.000 0.856 179 N CB -0.529 37.384 38.487 -0.956 0.000 1.023 179 N HN 0.589 nan 8.380 nan 0.000 0.424 180 E N 0.147 120.220 120.200 -0.212 0.000 2.299 180 E HA 0.199 4.549 4.350 -0.000 0.000 0.193 180 E C 1.802 178.480 176.600 0.131 0.000 0.998 180 E CA 0.504 56.925 56.400 0.035 0.000 0.851 180 E CB -0.180 29.523 29.700 0.004 0.000 0.795 180 E HN 0.336 nan 8.360 nan 0.000 0.492 181 A N 0.268 123.055 122.820 -0.055 0.000 1.902 181 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 181 A C 1.635 179.262 177.584 0.071 0.000 1.181 181 A CA 1.028 53.002 52.037 -0.106 0.000 0.623 181 A CB -0.762 17.783 19.000 -0.758 0.000 0.818 181 A HN 0.254 nan 8.150 nan 0.000 0.443 182 F N -2.030 117.965 119.950 0.075 0.000 2.546 182 F HA -0.071 4.456 4.527 -0.000 0.000 0.298 182 F C 1.228 176.789 175.800 -0.398 0.000 1.120 182 F CA 1.023 58.939 58.000 -0.140 0.000 1.456 182 F CB -0.250 38.533 39.000 -0.361 0.000 1.088 182 F HN 0.334 nan 8.300 nan 0.000 0.572 183 Y N -1.072 119.471 120.300 0.404 0.000 2.557 183 Y HA 0.310 4.860 4.550 -0.000 0.000 0.247 183 Y C 0.548 176.656 175.900 0.347 0.000 1.164 183 Y CA -0.911 57.397 58.100 0.347 0.000 1.218 183 Y CB -0.301 38.363 38.460 0.340 0.000 1.210 183 Y HN -0.262 nan 8.280 nan 0.000 0.529 184 L N 3.686 125.206 121.223 0.495 0.000 2.640 184 L HA -0.080 4.260 4.340 -0.000 0.000 0.280 184 L C -1.207 175.979 176.870 0.527 0.000 1.229 184 L CA -0.800 54.291 54.840 0.419 0.000 0.919 184 L CB 0.463 42.688 42.059 0.277 0.000 1.168 184 L HN 0.037 nan 8.230 nan 0.000 0.496 185 P HA -0.101 nan 4.420 nan 0.000 0.217 185 P C -0.313 177.191 177.300 0.340 0.000 1.151 185 P CA 1.116 64.401 63.100 0.309 0.000 0.828 185 P CB 0.230 32.042 31.700 0.187 0.000 0.788 186 E N -0.392 119.906 120.200 0.163 0.000 2.343 186 E HA 0.518 4.868 4.350 -0.000 0.000 0.270 186 E C -2.894 173.430 176.600 -0.460 0.000 0.895 186 E CA -3.039 53.356 56.400 -0.008 0.000 0.767 186 E CB 1.087 30.801 29.700 0.024 0.000 1.248 186 E HN -0.098 nan 8.360 nan 0.000 0.440 187 P HA 0.168 nan 4.420 nan 0.000 0.276 187 P C -2.366 174.668 177.300 -0.443 0.000 1.230 187 P CA -1.329 61.225 63.100 -0.909 0.000 0.776 187 P CB 0.174 31.529 31.700 -0.575 0.000 0.888 188 P HA 0.196 nan 4.420 nan 0.000 0.271 188 P C 0.800 177.952 177.300 -0.246 0.000 1.218 188 P CA -0.163 62.721 63.100 -0.359 0.000 0.780 188 P CB 1.348 32.742 31.700 -0.510 0.000 0.901 189 R N 1.488 121.886 120.500 -0.168 0.000 2.066 189 R HA 0.047 4.387 4.340 -0.000 0.000 0.224 189 R C 0.464 176.702 176.300 -0.104 0.000 1.122 189 R CA 0.866 56.903 56.100 -0.106 0.000 0.974 189 R CB 0.267 30.523 30.300 -0.074 0.000 0.871 189 R HN 0.490 nan 8.270 nan 0.000 0.435 190 R N -0.112 120.314 120.500 -0.122 0.000 2.534 190 R HA 0.414 4.754 4.340 -0.000 0.000 0.301 190 R C -1.540 174.656 176.300 -0.174 0.000 0.961 190 R CA -0.497 55.535 56.100 -0.112 0.000 0.871 190 R CB 2.854 33.111 30.300 -0.071 0.000 1.170 190 R HN -0.062 nan 8.270 nan 0.000 0.446 191 V N 4.259 124.059 119.914 -0.189 0.000 2.841 191 V HA 0.544 4.664 4.120 -0.000 0.000 0.310 191 V C -1.769 174.247 176.094 -0.129 0.000 1.090 191 V CA -1.029 61.115 62.300 -0.261 0.000 0.930 191 V CB 2.104 33.593 31.823 -0.558 0.000 1.014 191 V HN 0.638 nan 8.190 nan 0.000 0.425 192 L N 6.530 127.695 121.223 -0.097 0.000 2.295 192 L HA 0.685 5.025 4.340 -0.000 0.000 0.281 192 L C 0.326 177.198 176.870 0.004 0.000 1.018 192 L CA 0.259 55.091 54.840 -0.013 0.000 0.841 192 L CB 1.560 43.628 42.059 0.015 0.000 1.218 192 L HN 0.919 nan 8.230 nan 0.000 0.424 193 T N 2.246 116.834 114.554 0.058 0.000 2.794 193 T HA 0.554 4.904 4.350 -0.000 0.000 0.296 193 T C -0.079 174.677 174.700 0.093 0.000 0.949 193 T CA -0.642 61.513 62.100 0.091 0.000 1.101 193 T CB 0.881 69.846 68.868 0.162 0.000 0.905 193 T HN 0.310 nan 8.240 nan 0.000 0.516 194 V N 3.635 123.596 119.914 0.079 0.000 2.370 194 V HA 0.819 4.939 4.120 -0.000 0.000 0.283 194 V C 0.832 176.994 176.094 0.112 0.000 1.023 194 V CA 0.250 62.608 62.300 0.097 0.000 0.857 194 V CB 0.370 32.231 31.823 0.063 0.000 0.985 194 V HN 1.523 nan 8.190 nan 0.000 0.443 195 G N 3.520 112.414 108.800 0.157 0.000 2.428 195 G HA2 0.355 4.315 3.960 -0.000 0.000 0.681 195 G HA3 0.355 4.315 3.960 -0.000 0.000 0.681 195 G C 0.037 175.032 174.900 0.159 0.000 1.340 195 G CA -0.319 44.892 45.100 0.186 0.000 0.915 195 G HN 1.138 nan 8.290 nan 0.000 0.645 196 G N -0.484 108.382 108.800 0.109 0.000 3.863 196 G HA2 0.677 4.637 3.960 -0.000 0.000 0.290 196 G HA3 0.677 4.637 3.960 -0.000 0.000 0.290 196 G C 0.723 175.502 174.900 -0.202 0.000 1.018 196 G CA 1.097 46.085 45.100 -0.187 0.000 0.824 196 G HN 1.374 nan 8.290 nan 0.000 0.507 197 G N -0.186 108.595 108.800 -0.032 0.000 2.736 197 G HA2 0.452 4.412 3.960 -0.000 0.000 0.229 197 G HA3 0.452 4.412 3.960 -0.000 0.000 0.229 197 G C 0.679 175.582 174.900 0.004 0.000 1.380 197 G CA -0.713 44.395 45.100 0.014 0.000 1.040 197 G HN -0.026 nan 8.290 nan 0.000 0.568 198 F N -0.255 119.719 119.950 0.038 0.000 2.043 198 F HA -0.093 4.434 4.527 -0.000 0.000 0.297 198 F C 2.702 178.534 175.800 0.053 0.000 1.121 198 F CA 1.600 59.619 58.000 0.030 0.000 1.199 198 F CB -0.342 38.714 39.000 0.092 0.000 0.968 198 F HN 0.108 nan 8.300 nan 0.000 0.478 199 I N -1.504 119.263 120.570 0.328 0.000 2.252 199 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 199 I C 2.610 178.886 176.117 0.265 0.000 1.102 199 I CA 1.216 62.698 61.300 0.303 0.000 1.385 199 I CB -0.608 37.554 38.000 0.271 0.000 1.064 199 I HN 0.097 nan 8.210 nan 0.000 0.414 200 S N 0.438 116.245 115.700 0.178 0.000 2.359 200 S HA -0.151 4.319 4.470 -0.000 0.000 0.224 200 S C 2.062 176.730 174.600 0.113 0.000 1.035 200 S CA 1.453 59.739 58.200 0.144 0.000 1.018 200 S CB -0.142 63.117 63.200 0.100 0.000 0.876 200 S HN 0.219 nan 8.310 nan 0.000 0.448 201 V N 1.686 121.624 119.914 0.040 0.000 2.358 201 V HA -0.115 4.005 4.120 -0.000 0.000 0.246 201 V C 2.324 178.412 176.094 -0.010 0.000 1.047 201 V CA 1.806 64.091 62.300 -0.025 0.000 1.035 201 V CB -0.692 31.049 31.823 -0.136 0.000 0.658 201 V HN 0.513 nan 8.190 nan 0.000 0.452 202 E N -0.485 119.722 120.200 0.012 0.000 2.047 202 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 202 E C 2.123 178.619 176.600 -0.173 0.000 0.987 202 E CA 1.395 57.760 56.400 -0.059 0.000 0.799 202 E CB -0.217 29.463 29.700 -0.033 0.000 0.752 202 E HN 0.554 nan 8.360 nan 0.000 0.449 203 F N 1.091 120.973 119.950 -0.115 0.000 2.206 203 F HA -0.069 4.458 4.527 -0.000 0.000 0.298 203 F C 2.437 178.111 175.800 -0.210 0.000 1.090 203 F CA 0.928 58.755 58.000 -0.288 0.000 1.323 203 F CB -0.485 38.369 39.000 -0.243 0.000 1.028 203 F HN -0.023 nan 8.300 nan 0.000 0.492 204 A N 0.220 123.156 122.820 0.193 0.000 1.903 204 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 204 A C 2.548 180.201 177.584 0.114 0.000 1.191 204 A CA 2.126 54.286 52.037 0.204 0.000 0.638 204 A CB -1.644 17.431 19.000 0.125 0.000 0.823 204 A HN 0.419 nan 8.150 nan 0.000 0.451 205 G N -0.580 108.230 108.800 0.016 0.000 2.421 205 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.217 205 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.217 205 G C 1.493 176.392 174.900 -0.001 0.000 1.143 205 G CA 0.939 46.038 45.100 -0.003 0.000 0.784 205 G HN 0.498 nan 8.290 nan 0.000 0.541 206 I N -0.142 120.367 120.570 -0.102 0.000 2.226 206 I HA -0.093 4.077 4.170 -0.000 0.000 0.245 206 I C 2.205 178.385 176.117 0.105 0.000 1.100 206 I CA 0.801 62.057 61.300 -0.074 0.000 1.374 206 I CB -0.209 37.576 38.000 -0.359 0.000 1.057 206 I HN 0.033 nan 8.210 nan 0.000 0.413 207 F N 0.757 120.810 119.950 0.172 0.000 2.407 207 F HA -0.125 4.402 4.527 -0.000 0.000 0.299 207 F C 2.250 178.105 175.800 0.091 0.000 1.097 207 F CA 1.014 59.080 58.000 0.111 0.000 1.422 207 F CB -1.024 37.997 39.000 0.034 0.000 1.067 207 F HN 0.131 nan 8.300 nan 0.000 0.539 208 N N 0.441 119.290 118.700 0.248 0.000 2.216 208 N HA -0.098 4.642 4.740 -0.000 0.000 0.183 208 N C 1.865 177.438 175.510 0.105 0.000 1.017 208 N CA 1.249 54.383 53.050 0.139 0.000 0.861 208 N CB -0.187 38.349 38.487 0.082 0.000 0.986 208 N HN 0.133 nan 8.380 nan 0.000 0.428 209 A N -0.902 121.991 122.820 0.121 0.000 1.897 209 A HA -0.029 4.291 4.320 -0.000 0.000 0.215 209 A C 1.388 178.932 177.584 -0.068 0.000 1.181 209 A CA 0.963 53.006 52.037 0.010 0.000 0.620 209 A CB -0.753 18.234 19.000 -0.022 0.000 0.821 209 A HN 0.477 nan 8.150 nan 0.000 0.443 210 Y N 0.757 121.167 120.300 0.182 0.000 2.466 210 Y HA 0.121 4.671 4.550 -0.000 0.000 0.272 210 Y C 0.885 176.865 175.900 0.133 0.000 1.169 210 Y CA 0.099 58.337 58.100 0.229 0.000 1.285 210 Y CB 0.015 38.763 38.460 0.480 0.000 1.078 210 Y HN 0.340 nan 8.280 nan 0.000 0.523 211 K N 2.106 122.612 120.400 0.177 0.000 2.436 211 K HA 0.126 4.446 4.320 -0.000 0.000 0.275 211 K C -2.652 173.980 176.600 0.054 0.000 0.999 211 K CA -1.469 54.865 56.287 0.078 0.000 0.980 211 K CB 0.016 32.548 32.500 0.053 0.000 0.919 211 K HN -0.061 nan 8.250 nan 0.000 0.484 212 P HA 0.118 nan 4.420 nan 0.000 0.272 212 P C -2.459 174.851 177.300 0.017 0.000 1.230 212 P CA -1.313 61.803 63.100 0.026 0.000 0.788 212 P CB -0.544 31.160 31.700 0.007 0.000 0.949 213 P HA -0.061 nan 4.420 nan 0.000 0.261 213 P C 1.136 178.440 177.300 0.007 0.000 1.158 213 P CA 1.797 64.906 63.100 0.016 0.000 0.758 213 P CB -0.455 31.256 31.700 0.018 0.000 0.763 214 G N 2.083 110.886 108.800 0.005 0.000 2.168 214 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.263 214 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.263 214 G C 0.695 175.591 174.900 -0.006 0.000 0.977 214 G CA 0.002 45.101 45.100 -0.001 0.000 0.659 214 G HN 0.900 nan 8.290 nan 0.000 0.533 215 G N -0.791 108.005 108.800 -0.006 0.000 2.653 215 G HA2 0.585 4.545 3.960 -0.000 0.000 0.265 215 G HA3 0.585 4.545 3.960 -0.000 0.000 0.265 215 G C -0.164 174.728 174.900 -0.013 0.000 1.237 215 G CA 0.502 45.593 45.100 -0.016 0.000 0.946 215 G HN 0.927 nan 8.290 nan 0.000 0.522 216 K N -0.884 119.503 120.400 -0.021 0.000 2.587 216 K HA 0.387 4.707 4.320 -0.000 0.000 0.256 216 K C -1.266 175.323 176.600 -0.018 0.000 0.974 216 K CA -0.494 55.784 56.287 -0.015 0.000 0.855 216 K CB 1.701 34.191 32.500 -0.017 0.000 1.292 216 K HN 0.337 nan 8.250 nan 0.000 0.444 217 V N 3.791 123.709 119.914 0.006 0.000 2.465 217 V HA 0.541 4.661 4.120 -0.000 0.000 0.279 217 V C -0.386 175.719 176.094 0.019 0.000 1.045 217 V CA -0.288 62.026 62.300 0.024 0.000 0.938 217 V CB 1.636 33.510 31.823 0.086 0.000 0.986 217 V HN 0.866 nan 8.190 nan 0.000 0.467 218 T N 6.329 120.895 114.554 0.020 0.000 2.824 218 T HA 0.581 4.931 4.350 -0.000 0.000 0.282 218 T C -0.631 174.100 174.700 0.050 0.000 0.993 218 T CA -0.338 61.777 62.100 0.026 0.000 0.967 218 T CB 1.564 70.449 68.868 0.029 0.000 0.960 218 T HN 0.521 nan 8.240 nan 0.000 0.441 219 L N 3.837 125.089 121.223 0.048 0.000 2.329 219 L HA 0.805 5.145 4.340 -0.000 0.000 0.279 219 L C -0.422 176.494 176.870 0.077 0.000 1.014 219 L CA -0.630 54.252 54.840 0.069 0.000 0.814 219 L CB 0.563 42.654 42.059 0.053 0.000 1.257 219 L HN 0.991 nan 8.230 nan 0.000 0.424 220 C N 2.583 121.954 119.300 0.119 0.000 2.634 220 C HA 0.695 5.155 4.460 -0.000 0.000 0.313 220 C C -0.892 174.221 174.990 0.205 0.000 1.198 220 C CA -0.998 58.100 59.018 0.134 0.000 1.605 220 C CB 0.952 28.791 27.740 0.166 0.000 2.196 220 C HN 0.811 nan 8.230 nan 0.000 0.486 221 Y N 2.409 122.724 120.300 0.025 0.000 2.442 221 Y HA 0.574 5.124 4.550 -0.000 0.000 0.344 221 Y C 1.273 177.188 175.900 0.024 0.000 0.976 221 Y CA -1.154 56.962 58.100 0.026 0.000 1.040 221 Y CB 1.551 40.016 38.460 0.009 0.000 1.228 221 Y HN 0.887 nan 8.280 nan 0.000 0.451 222 R N 1.538 121.670 120.500 -0.614 0.000 2.152 222 R HA 0.014 4.354 4.340 -0.000 0.000 0.232 222 R C -0.317 175.629 176.300 -0.591 0.000 1.117 222 R CA 1.542 57.343 56.100 -0.498 0.000 0.981 222 R CB -0.404 29.702 30.300 -0.325 0.000 0.870 222 R HN 0.563 nan 8.270 nan 0.000 0.451 223 N N -0.784 117.258 118.700 -1.097 0.000 3.061 223 N HA 0.144 4.884 4.740 -0.000 0.000 0.346 223 N C -0.239 175.232 175.510 -0.065 0.000 1.392 223 N CA -0.729 52.054 53.050 -0.446 0.000 0.762 223 N CB 0.285 38.629 38.487 -0.238 0.000 1.367 223 N HN -0.030 nan 8.380 nan 0.000 0.607 224 N N -0.383 118.377 118.700 0.099 0.000 2.416 224 N HA 0.048 4.788 4.740 -0.000 0.000 0.177 224 N C -0.865 174.747 175.510 0.169 0.000 1.036 224 N CA 0.519 53.632 53.050 0.106 0.000 0.901 224 N CB 0.395 38.913 38.487 0.052 0.000 0.976 224 N HN 0.196 nan 8.380 nan 0.000 0.444 225 L N 1.663 123.054 121.223 0.279 0.000 2.596 225 L HA 0.385 4.725 4.340 -0.000 0.000 0.265 225 L C -0.316 176.517 176.870 -0.062 0.000 0.962 225 L CA -0.705 54.200 54.840 0.108 0.000 0.891 225 L CB 1.199 43.291 42.059 0.055 0.000 1.248 225 L HN 0.023 nan 8.230 nan 0.000 0.410 226 I N 2.178 122.583 120.570 -0.274 0.000 3.246 226 I HA 0.227 4.397 4.170 -0.000 0.000 0.280 226 I C 0.583 176.444 176.117 -0.427 0.000 1.239 226 I CA -0.428 60.473 61.300 -0.664 0.000 1.336 226 I CB 0.136 37.882 38.000 -0.423 0.000 1.383 226 I HN 0.732 nan 8.210 nan 0.000 0.617 227 L N 0.275 121.242 121.223 -0.426 0.000 3.634 227 L HA -0.202 4.138 4.340 -0.000 0.000 0.423 227 L C 0.740 177.637 176.870 0.044 0.000 1.253 227 L CA 0.445 55.160 54.840 -0.208 0.000 0.885 227 L CB -1.319 40.498 42.059 -0.403 0.000 1.789 227 L HN 0.845 nan 8.230 nan 0.000 0.904 228 R N 1.061 121.551 120.500 -0.016 0.000 2.538 228 R HA 0.301 4.641 4.340 -0.000 0.000 0.282 228 R C 1.283 177.632 176.300 0.081 0.000 1.009 228 R CA 1.194 57.326 56.100 0.053 0.000 1.063 228 R CB 0.458 30.808 30.300 0.084 0.000 0.945 228 R HN 0.442 nan 8.270 nan 0.000 0.414 229 G N 2.910 111.717 108.800 0.013 0.000 2.201 229 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.212 229 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.212 229 G C -0.291 174.409 174.900 -0.332 0.000 0.994 229 G CA -0.142 44.884 45.100 -0.123 0.000 0.644 229 G HN 0.519 nan 8.290 nan 0.000 0.508 230 F N 1.375 121.254 119.950 -0.117 0.000 2.457 230 F HA 0.527 5.054 4.527 -0.000 0.000 0.330 230 F C 0.783 176.459 175.800 -0.207 0.000 1.069 230 F CA -0.526 57.374 58.000 -0.166 0.000 1.009 230 F CB 0.718 39.603 39.000 -0.192 0.000 1.276 230 F HN 0.028 nan 8.300 nan 0.000 0.492 231 D N 1.411 121.729 120.400 -0.136 0.000 2.458 231 D HA -0.077 4.563 4.640 -0.000 0.000 0.243 231 D C 0.767 177.024 176.300 -0.071 0.000 1.146 231 D CA 0.269 54.122 54.000 -0.244 0.000 0.877 231 D CB 1.036 41.562 40.800 -0.456 0.000 1.176 231 D HN 0.782 nan 8.370 nan 0.000 0.461 232 E N 2.182 122.360 120.200 -0.037 0.000 2.077 232 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 232 E C 1.438 178.038 176.600 0.001 0.000 0.989 232 E CA 1.385 57.783 56.400 -0.003 0.000 0.800 232 E CB 0.187 29.900 29.700 0.022 0.000 0.746 232 E HN 0.607 nan 8.360 nan 0.000 0.452 233 T N 1.344 115.911 114.554 0.022 0.000 2.665 233 T HA -0.198 4.152 4.350 -0.000 0.000 0.268 233 T C 1.904 176.598 174.700 -0.009 0.000 1.035 233 T CA 1.506 63.621 62.100 0.025 0.000 1.151 233 T CB -0.232 68.674 68.868 0.063 0.000 0.862 233 T HN 0.195 nan 8.240 nan 0.000 0.438 234 I N 0.439 120.993 120.570 -0.027 0.000 2.315 234 I HA -0.146 4.024 4.170 -0.000 0.000 0.248 234 I C 2.749 178.811 176.117 -0.092 0.000 1.117 234 I CA 1.158 62.420 61.300 -0.062 0.000 1.404 234 I CB -0.199 37.765 38.000 -0.060 0.000 1.071 234 I HN 0.152 nan 8.210 nan 0.000 0.419 235 R N 0.603 121.056 120.500 -0.078 0.000 2.091 235 R HA -0.193 4.147 4.340 -0.000 0.000 0.238 235 R C 2.121 178.368 176.300 -0.088 0.000 1.136 235 R CA 1.561 57.599 56.100 -0.103 0.000 0.959 235 R CB -0.339 29.917 30.300 -0.072 0.000 0.856 235 R HN 0.463 nan 8.270 nan 0.000 0.437 236 E N 0.223 120.391 120.200 -0.054 0.000 2.072 236 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 236 E C 1.930 178.503 176.600 -0.045 0.000 0.985 236 E CA 0.957 57.332 56.400 -0.041 0.000 0.801 236 E CB -0.001 29.687 29.700 -0.020 0.000 0.750 236 E HN 0.221 nan 8.360 nan 0.000 0.452 237 E N 1.079 121.252 120.200 -0.044 0.000 2.106 237 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 237 E C 1.964 178.525 176.600 -0.065 0.000 0.984 237 E CA 0.488 56.862 56.400 -0.042 0.000 0.806 237 E CB -0.180 29.496 29.700 -0.040 0.000 0.750 237 E HN 0.030 nan 8.360 nan 0.000 0.458 238 V N -0.151 119.702 119.914 -0.101 0.000 2.427 238 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 238 V C 1.987 178.019 176.094 -0.103 0.000 1.051 238 V CA 2.336 64.562 62.300 -0.123 0.000 1.048 238 V CB -0.576 31.134 31.823 -0.189 0.000 0.666 238 V HN 0.403 nan 8.190 nan 0.000 0.456 239 T N 0.009 114.506 114.554 -0.096 0.000 2.635 239 T HA -0.267 4.083 4.350 -0.000 0.000 0.267 239 T C 1.841 176.499 174.700 -0.070 0.000 1.040 239 T CA 2.177 64.228 62.100 -0.080 0.000 1.156 239 T CB -0.246 68.582 68.868 -0.067 0.000 0.863 239 T HN 0.516 nan 8.240 nan 0.000 0.430 240 K N 0.758 121.124 120.400 -0.057 0.000 2.057 240 K HA -0.078 4.242 4.320 -0.000 0.000 0.207 240 K C 2.643 179.198 176.600 -0.076 0.000 1.049 240 K CA 1.235 57.490 56.287 -0.054 0.000 0.931 240 K CB -0.130 32.356 32.500 -0.024 0.000 0.714 240 K HN 0.439 nan 8.250 nan 0.000 0.440 241 Q N 0.489 120.262 119.800 -0.044 0.000 2.172 241 Q HA -0.034 4.306 4.340 -0.000 0.000 0.200 241 Q C 2.161 178.104 176.000 -0.096 0.000 0.964 241 Q CA 0.812 56.605 55.803 -0.017 0.000 0.855 241 Q CB 0.019 28.814 28.738 0.096 0.000 0.918 241 Q HN 0.302 nan 8.270 nan 0.000 0.444 242 L N -0.024 121.147 121.223 -0.087 0.000 2.056 242 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 242 L C 2.394 179.194 176.870 -0.116 0.000 1.078 242 L CA 1.137 55.923 54.840 -0.090 0.000 0.749 242 L CB -0.691 41.324 42.059 -0.074 0.000 0.901 242 L HN 0.199 nan 8.230 nan 0.000 0.433 243 T N 0.247 114.730 114.554 -0.118 0.000 2.635 243 T HA -0.256 4.094 4.350 -0.000 0.000 0.267 243 T C 2.006 176.592 174.700 -0.190 0.000 1.040 243 T CA 1.607 63.633 62.100 -0.124 0.000 1.156 243 T CB -0.339 68.469 68.868 -0.101 0.000 0.863 243 T HN 0.461 nan 8.240 nan 0.000 0.430 244 A N 1.646 124.281 122.820 -0.307 0.000 1.972 244 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 244 A C 2.028 179.301 177.584 -0.519 0.000 1.169 244 A CA 1.534 53.258 52.037 -0.522 0.000 0.635 244 A CB -0.566 17.830 19.000 -1.007 0.000 0.810 244 A HN 0.434 nan 8.150 nan 0.000 0.446 245 N N -0.998 117.469 118.700 -0.389 0.000 2.313 245 N HA 0.228 4.968 4.740 -0.000 0.000 0.207 245 N C 0.869 176.313 175.510 -0.110 0.000 1.141 245 N CA 0.966 53.893 53.050 -0.206 0.000 0.830 245 N CB 0.036 38.469 38.487 -0.090 0.000 1.008 245 N HN 0.556 nan 8.380 nan 0.000 0.481 246 G N -0.165 108.564 108.800 -0.117 0.000 2.179 246 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.220 246 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.220 246 G C 0.024 174.897 174.900 -0.044 0.000 0.990 246 G CA -0.116 44.943 45.100 -0.068 0.000 0.646 246 G HN 0.295 nan 8.290 nan 0.000 0.517 247 I N 1.578 122.121 120.570 -0.045 0.000 2.416 247 I HA 0.286 4.456 4.170 -0.000 0.000 0.288 247 I C 0.739 176.837 176.117 -0.032 0.000 1.051 247 I CA -0.309 60.977 61.300 -0.022 0.000 1.375 247 I CB 1.319 39.311 38.000 -0.014 0.000 1.407 247 I HN 0.228 nan 8.210 nan 0.000 0.516 248 E N 7.253 127.440 120.200 -0.022 0.000 2.180 248 E HA 0.197 4.547 4.350 -0.000 0.000 0.283 248 E C -0.807 175.780 176.600 -0.022 0.000 1.061 248 E CA -0.651 55.732 56.400 -0.028 0.000 0.861 248 E CB 0.635 30.318 29.700 -0.028 0.000 1.056 248 E HN 0.364 nan 8.360 nan 0.000 0.407 249 I N 5.866 126.418 120.570 -0.029 0.000 2.301 249 I HA 0.156 4.326 4.170 -0.000 0.000 0.292 249 I C 0.207 176.309 176.117 -0.025 0.000 1.046 249 I CA -0.136 61.153 61.300 -0.019 0.000 1.282 249 I CB 0.556 38.542 38.000 -0.024 0.000 1.409 249 I HN 0.668 nan 8.210 nan 0.000 0.484 250 M N 6.772 126.356 119.600 -0.027 0.000 2.069 250 M HA 0.213 4.693 4.480 -0.000 0.000 0.349 250 M C 0.114 176.391 176.300 -0.037 0.000 1.194 250 M CA -0.298 54.957 55.300 -0.074 0.000 1.081 250 M CB 0.882 33.396 32.600 -0.144 0.000 1.500 250 M HN 0.639 nan 8.290 nan 0.000 0.438 251 T N 0.134 114.668 114.554 -0.032 0.000 2.934 251 T HA 0.409 4.759 4.350 -0.000 0.000 0.283 251 T C 0.521 175.190 174.700 -0.051 0.000 1.005 251 T CA -0.860 61.249 62.100 0.015 0.000 1.041 251 T CB 0.956 69.853 68.868 0.049 0.000 1.042 251 T HN 0.753 nan 8.240 nan 0.000 0.505 252 N N 0.895 119.551 118.700 -0.073 0.000 2.735 252 N HA -0.138 4.602 4.740 -0.000 0.000 0.248 252 N C -0.851 174.593 175.510 -0.109 0.000 1.083 252 N CA 0.854 53.840 53.050 -0.107 0.000 0.703 252 N CB -0.696 37.746 38.487 -0.075 0.000 1.005 252 N HN 0.732 nan 8.380 nan 0.000 0.550 253 E N 0.478 120.615 120.200 -0.105 0.000 2.292 253 E HA 0.469 4.819 4.350 -0.000 0.000 0.272 253 E C -0.769 175.884 176.600 0.088 0.000 0.881 253 E CA -0.595 55.757 56.400 -0.079 0.000 0.754 253 E CB 2.237 31.720 29.700 -0.361 0.000 1.201 253 E HN 0.225 nan 8.360 nan 0.000 0.425 254 N N 1.960 120.808 118.700 0.246 0.000 2.425 254 N HA 0.367 5.107 4.740 -0.000 0.000 0.289 254 N C -3.019 172.620 175.510 0.215 0.000 1.074 254 N CA -1.777 51.401 53.050 0.214 0.000 0.905 254 N CB 2.046 40.572 38.487 0.064 0.000 1.586 254 N HN -0.019 nan 8.380 nan 0.000 0.490 255 P HA 0.107 nan 4.420 nan 0.000 0.263 255 P C -0.507 176.718 177.300 -0.125 0.000 1.195 255 P CA 0.200 63.156 63.100 -0.241 0.000 0.762 255 P CB 0.848 32.419 31.700 -0.216 0.000 0.799 256 A N 3.987 126.725 122.820 -0.138 0.000 2.197 256 A HA 0.173 4.493 4.320 -0.000 0.000 0.210 256 A C 0.691 178.235 177.584 -0.066 0.000 1.180 256 A CA 0.887 52.886 52.037 -0.063 0.000 0.846 256 A CB -0.092 18.894 19.000 -0.023 0.000 0.884 256 A HN 0.480 nan 8.150 nan 0.000 0.487 257 K N -0.808 119.531 120.400 -0.103 0.000 2.557 257 K HA 0.536 4.856 4.320 -0.000 0.000 0.261 257 K C -2.174 174.374 176.600 -0.086 0.000 0.932 257 K CA -0.415 55.835 56.287 -0.063 0.000 0.829 257 K CB 2.087 34.573 32.500 -0.023 0.000 1.358 257 K HN -0.076 nan 8.250 nan 0.000 0.430 258 V N 2.993 122.888 119.914 -0.032 0.000 2.540 258 V HA 0.572 4.692 4.120 -0.000 0.000 0.302 258 V C -0.803 175.352 176.094 0.103 0.000 1.035 258 V CA -0.617 61.683 62.300 0.000 0.000 0.873 258 V CB 1.684 33.508 31.823 0.001 0.000 0.992 258 V HN 0.913 nan 8.190 nan 0.000 0.428 259 S N 4.678 120.441 115.700 0.105 0.000 2.568 259 S HA 0.716 5.186 4.470 -0.000 0.000 0.293 259 S C -0.862 173.735 174.600 -0.004 0.000 1.089 259 S CA -0.797 57.468 58.200 0.107 0.000 0.945 259 S CB 2.047 65.293 63.200 0.077 0.000 1.077 259 S HN 0.594 nan 8.310 nan 0.000 0.485 260 L N 2.715 123.836 121.223 -0.170 0.000 2.265 260 L HA 0.381 4.721 4.340 -0.000 0.000 0.288 260 L C -0.534 176.244 176.870 -0.154 0.000 1.058 260 L CA -0.504 54.148 54.840 -0.314 0.000 0.809 260 L CB 0.553 42.210 42.059 -0.671 0.000 1.179 260 L HN 0.746 nan 8.230 nan 0.000 0.429 261 N N 1.789 120.425 118.700 -0.106 0.000 2.503 261 N HA 0.030 4.770 4.740 -0.000 0.000 0.267 261 N C 1.141 176.604 175.510 -0.078 0.000 1.214 261 N CA 0.176 53.181 53.050 -0.076 0.000 0.959 261 N CB 1.496 39.955 38.487 -0.047 0.000 1.142 261 N HN 0.611 nan 8.380 nan 0.000 0.455 262 T N -1.539 112.978 114.554 -0.061 0.000 2.881 262 T HA -0.178 4.172 4.350 -0.000 0.000 0.270 262 T C 0.872 175.546 174.700 -0.045 0.000 1.068 262 T CA 1.301 63.370 62.100 -0.051 0.000 1.131 262 T CB -0.238 68.607 68.868 -0.039 0.000 0.871 262 T HN 0.597 nan 8.240 nan 0.000 0.479 263 D N 0.439 120.815 120.400 -0.041 0.000 2.358 263 D HA 0.210 4.850 4.640 -0.000 0.000 0.241 263 D C 1.642 177.918 176.300 -0.039 0.000 1.094 263 D CA 0.790 54.770 54.000 -0.034 0.000 0.907 263 D CB -0.897 39.887 40.800 -0.027 0.000 0.893 263 D HN 0.669 nan 8.370 nan 0.000 0.528 264 G N -0.145 108.623 108.800 -0.054 0.000 2.268 264 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.240 264 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.240 264 G C 0.559 175.420 174.900 -0.066 0.000 1.010 264 G CA 0.478 45.542 45.100 -0.059 0.000 0.618 264 G HN 0.883 nan 8.290 nan 0.000 0.516 265 S N -0.227 115.439 115.700 -0.056 0.000 2.626 265 S HA 0.688 5.158 4.470 -0.000 0.000 0.257 265 S C -0.083 174.484 174.600 -0.055 0.000 1.288 265 S CA 0.557 58.725 58.200 -0.052 0.000 0.980 265 S CB 1.488 64.667 63.200 -0.035 0.000 0.975 265 S HN 0.455 nan 8.310 nan 0.000 0.577 266 K N 0.249 120.626 120.400 -0.039 0.000 2.397 266 K HA 0.387 4.707 4.320 -0.000 0.000 0.253 266 K C -1.359 175.250 176.600 0.015 0.000 0.932 266 K CA -0.390 55.882 56.287 -0.026 0.000 0.795 266 K CB 1.432 33.909 32.500 -0.038 0.000 1.159 266 K HN 0.776 nan 8.250 nan 0.000 0.424 267 H N 1.589 120.620 119.070 -0.066 0.000 2.556 267 H HA 0.461 5.017 4.556 -0.000 0.000 0.310 267 H C -1.042 174.235 175.328 -0.085 0.000 1.057 267 H CA -0.666 55.347 56.048 -0.059 0.000 1.264 267 H CB 0.603 30.338 29.762 -0.045 0.000 1.404 267 H HN 0.240 nan 8.280 nan 0.000 0.462 268 V N 5.637 125.317 119.914 -0.390 0.000 2.394 268 V HA 0.288 4.408 4.120 -0.000 0.000 0.282 268 V C 0.155 175.903 176.094 -0.577 0.000 1.031 268 V CA -0.677 61.354 62.300 -0.447 0.000 0.881 268 V CB 1.434 32.954 31.823 -0.506 0.000 0.982 268 V HN 0.877 nan 8.190 nan 0.000 0.451 269 T N 5.464 119.760 114.554 -0.430 0.000 2.794 269 T HA 0.655 5.005 4.350 -0.000 0.000 0.280 269 T C -0.463 174.031 174.700 -0.343 0.000 0.987 269 T CA -0.117 61.822 62.100 -0.268 0.000 0.993 269 T CB 0.725 69.551 68.868 -0.070 0.000 0.939 269 T HN 0.283 nan 8.240 nan 0.000 0.449 270 F N 1.065 120.984 119.950 -0.052 0.000 2.378 270 F HA 0.323 4.850 4.527 -0.000 0.000 0.325 270 F C 1.933 177.717 175.800 -0.026 0.000 1.097 270 F CA -0.864 57.113 58.000 -0.038 0.000 1.079 270 F CB 0.776 39.751 39.000 -0.042 0.000 1.240 270 F HN 0.650 nan 8.300 nan 0.000 0.519 271 E N 0.213 120.511 120.200 0.164 0.000 2.130 271 E HA -0.226 4.124 4.350 -0.000 0.000 0.196 271 E C 2.143 178.791 176.600 0.079 0.000 0.998 271 E CA 1.735 58.186 56.400 0.085 0.000 0.806 271 E CB -0.237 29.498 29.700 0.057 0.000 0.738 271 E HN 0.679 nan 8.360 nan 0.000 0.459 272 S N -0.392 115.366 115.700 0.098 0.000 2.419 272 S HA -0.088 4.382 4.470 -0.000 0.000 0.235 272 S C 1.853 176.493 174.600 0.066 0.000 1.019 272 S CA 1.089 59.322 58.200 0.056 0.000 0.982 272 S CB -0.201 63.007 63.200 0.012 0.000 0.789 272 S HN 0.484 nan 8.310 nan 0.000 0.490 273 G N 0.590 109.456 108.800 0.110 0.000 2.194 273 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.236 273 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.236 273 G C 0.081 175.046 174.900 0.109 0.000 0.987 273 G CA 0.201 45.356 45.100 0.091 0.000 0.635 273 G HN 0.761 nan 8.290 nan 0.000 0.520 274 K N 1.584 122.062 120.400 0.129 0.000 2.440 274 K HA 0.481 4.801 4.320 -0.000 0.000 0.270 274 K C 1.062 177.823 176.600 0.269 0.000 0.980 274 K CA 0.963 57.327 56.287 0.128 0.000 0.953 274 K CB 0.300 32.796 32.500 -0.006 0.000 0.925 274 K HN 0.470 nan 8.250 nan 0.000 0.497 275 T N 0.384 115.040 114.554 0.170 0.000 2.907 275 T HA 0.701 5.051 4.350 -0.000 0.000 0.290 275 T C -1.270 173.480 174.700 0.084 0.000 1.066 275 T CA -1.049 61.083 62.100 0.053 0.000 1.012 275 T CB 1.361 70.152 68.868 -0.130 0.000 1.184 275 T HN 0.353 nan 8.240 nan 0.000 0.522 276 L N 0.898 122.070 121.223 -0.084 0.000 2.611 276 L HA 0.497 4.837 4.340 -0.000 0.000 0.260 276 L C -2.036 174.772 176.870 -0.103 0.000 0.924 276 L CA -0.387 54.453 54.840 -0.000 0.000 0.901 276 L CB 2.268 44.446 42.059 0.197 0.000 1.369 276 L HN 0.786 nan 8.230 nan 0.000 0.415 277 D N 4.188 124.572 120.400 -0.026 0.000 2.198 277 D HA 0.708 5.348 4.640 -0.000 0.000 0.245 277 D C -0.419 175.870 176.300 -0.019 0.000 1.079 277 D CA 0.132 54.130 54.000 -0.003 0.000 0.854 277 D CB 2.231 43.063 40.800 0.053 0.000 1.148 277 D HN 0.452 nan 8.370 nan 0.000 0.456 278 V N -1.166 118.726 119.914 -0.037 0.000 3.206 278 V HA 0.404 4.524 4.120 -0.000 0.000 0.305 278 V C 0.083 176.132 176.094 -0.075 0.000 1.257 278 V CA -0.812 61.452 62.300 -0.060 0.000 1.057 278 V CB 2.498 34.277 31.823 -0.072 0.000 1.075 278 V HN 0.271 nan 8.190 nan 0.000 0.443 279 D N 0.255 120.593 120.400 -0.104 0.000 2.271 279 D HA 0.193 4.833 4.640 -0.000 0.000 0.206 279 D C 0.250 176.473 176.300 -0.129 0.000 0.967 279 D CA 1.310 55.244 54.000 -0.111 0.000 0.867 279 D CB 1.281 42.007 40.800 -0.124 0.000 0.960 279 D HN 0.383 nan 8.370 nan 0.000 0.509 280 V N 1.206 121.020 119.914 -0.167 0.000 2.777 280 V HA 0.187 4.307 4.120 -0.000 0.000 0.306 280 V C -0.514 175.481 176.094 -0.166 0.000 1.112 280 V CA -0.850 61.343 62.300 -0.178 0.000 0.917 280 V CB 3.000 34.660 31.823 -0.270 0.000 1.018 280 V HN -0.269 nan 8.190 nan 0.000 0.426 281 V N 5.364 125.210 119.914 -0.113 0.000 2.311 281 V HA 0.435 4.555 4.120 -0.000 0.000 0.275 281 V C 0.088 176.133 176.094 -0.082 0.000 1.022 281 V CA -0.221 62.026 62.300 -0.089 0.000 0.830 281 V CB 1.377 33.159 31.823 -0.067 0.000 1.012 281 V HN 0.889 nan 8.190 nan 0.000 0.452 282 M N 6.326 125.878 119.600 -0.080 0.000 2.080 282 M HA 0.439 4.919 4.480 -0.000 0.000 0.350 282 M C -0.551 175.722 176.300 -0.044 0.000 1.143 282 M CA -0.518 54.735 55.300 -0.078 0.000 1.064 282 M CB 0.740 33.289 32.600 -0.086 0.000 1.429 282 M HN 0.468 nan 8.290 nan 0.000 0.418 283 M N 3.737 123.309 119.600 -0.047 0.000 2.268 283 M HA 0.181 4.661 4.480 -0.000 0.000 0.349 283 M C 0.083 176.374 176.300 -0.015 0.000 1.485 283 M CA 0.268 55.556 55.300 -0.018 0.000 1.094 283 M CB 0.297 32.885 32.600 -0.021 0.000 1.843 283 M HN 0.738 nan 8.290 nan 0.000 0.460 284 A N 5.456 128.293 122.820 0.028 0.000 3.317 284 A HA 0.479 4.799 4.320 -0.000 0.000 0.307 284 A C 0.496 178.133 177.584 0.088 0.000 1.003 284 A CA -0.522 51.546 52.037 0.051 0.000 0.882 284 A CB -0.406 18.640 19.000 0.076 0.000 1.136 284 A HN 0.931 nan 8.150 nan 0.000 0.488 285 I N -2.838 117.778 120.570 0.077 0.000 3.941 285 I HA 0.659 4.829 4.170 -0.000 0.000 0.335 285 I C 0.502 176.680 176.117 0.101 0.000 1.402 285 I CA 0.172 61.532 61.300 0.099 0.000 1.112 285 I CB 0.528 38.577 38.000 0.082 0.000 1.043 285 I HN 0.490 nan 8.210 nan 0.000 0.395 286 G N 1.009 109.867 108.800 0.096 0.000 2.353 286 G HA2 0.286 4.246 3.960 -0.000 0.000 0.308 286 G HA3 0.286 4.246 3.960 -0.000 0.000 0.308 286 G C -1.635 173.314 174.900 0.082 0.000 1.418 286 G CA -1.171 43.987 45.100 0.098 0.000 0.966 286 G HN 0.194 nan 8.290 nan 0.000 0.638 287 R N -0.280 120.273 120.500 0.088 0.000 2.575 287 R HA 0.644 4.984 4.340 -0.000 0.000 0.293 287 R C 0.160 176.525 176.300 0.109 0.000 0.983 287 R CA -0.837 55.319 56.100 0.094 0.000 0.887 287 R CB 1.965 32.316 30.300 0.085 0.000 1.184 287 R HN 0.748 nan 8.270 nan 0.000 0.445 288 I N -0.655 119.999 120.570 0.140 0.000 2.607 288 I HA 0.633 4.803 4.170 -0.000 0.000 0.305 288 I C -2.455 173.750 176.117 0.147 0.000 0.995 288 I CA -3.245 58.133 61.300 0.131 0.000 1.148 288 I CB 1.801 39.876 38.000 0.125 0.000 1.323 288 I HN 0.258 nan 8.210 nan 0.000 0.461 289 P HA 0.008 nan 4.420 nan 0.000 0.264 289 P C -0.878 176.483 177.300 0.101 0.000 1.183 289 P CA 0.092 63.250 63.100 0.097 0.000 0.763 289 P CB 0.342 32.082 31.700 0.067 0.000 0.807 290 R N 2.285 122.842 120.500 0.094 0.000 3.171 290 R HA 0.151 4.491 4.340 -0.000 0.000 0.241 290 R C 0.854 177.170 176.300 0.025 0.000 1.421 290 R CA 0.095 56.229 56.100 0.056 0.000 1.444 290 R CB -0.441 29.892 30.300 0.056 0.000 1.247 290 R HN 0.539 nan 8.270 nan 0.000 0.636 291 T N -1.821 112.747 114.554 0.023 0.000 3.023 291 T HA -0.006 4.344 4.350 -0.000 0.000 0.249 291 T C 1.539 176.239 174.700 0.000 0.000 1.050 291 T CA -0.007 62.102 62.100 0.015 0.000 1.088 291 T CB 0.007 68.887 68.868 0.020 0.000 0.946 291 T HN 0.281 nan 8.240 nan 0.000 0.480 292 N N 2.024 120.719 118.700 -0.008 0.000 2.334 292 N HA -0.128 4.612 4.740 -0.000 0.000 0.187 292 N C 0.773 176.262 175.510 -0.034 0.000 1.016 292 N CA 1.348 54.385 53.050 -0.021 0.000 0.879 292 N CB -0.154 38.316 38.487 -0.027 0.000 0.965 292 N HN 0.528 nan 8.380 nan 0.000 0.438 293 D N -0.204 120.180 120.400 -0.027 0.000 2.366 293 D HA 0.061 4.701 4.640 -0.000 0.000 0.205 293 D C 1.660 177.960 176.300 0.000 0.000 1.022 293 D CA -0.064 53.921 54.000 -0.024 0.000 0.868 293 D CB 0.243 41.051 40.800 0.013 0.000 0.953 293 D HN 0.236 nan 8.370 nan 0.000 0.514 294 L N 0.969 122.195 121.223 0.005 0.000 2.633 294 L HA -0.070 4.270 4.340 -0.000 0.000 0.235 294 L C 0.133 177.000 176.870 -0.006 0.000 1.163 294 L CA 0.420 55.264 54.840 0.006 0.000 0.859 294 L CB -0.295 41.767 42.059 0.005 0.000 0.973 294 L HN -0.119 nan 8.230 nan 0.000 0.451 295 Q N -0.273 119.519 119.800 -0.014 0.000 2.443 295 Q HA -0.237 4.103 4.340 -0.000 0.000 0.337 295 Q C 1.050 177.040 176.000 -0.016 0.000 1.401 295 Q CA 0.649 56.440 55.803 -0.020 0.000 0.943 295 Q CB -1.916 26.808 28.738 -0.024 0.000 1.177 295 Q HN 0.538 nan 8.270 nan 0.000 0.394 296 L N -1.632 119.583 121.223 -0.013 0.000 2.275 296 L HA -0.131 4.209 4.340 -0.000 0.000 0.215 296 L C 2.242 179.104 176.870 -0.014 0.000 1.119 296 L CA 1.385 56.217 54.840 -0.012 0.000 0.790 296 L CB -0.412 41.643 42.059 -0.007 0.000 0.919 296 L HN 0.543 nan 8.230 nan 0.000 0.443 297 G N 0.298 109.089 108.800 -0.014 0.000 2.442 297 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.219 297 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.219 297 G C 1.308 176.198 174.900 -0.016 0.000 1.141 297 G CA 0.704 45.795 45.100 -0.014 0.000 0.763 297 G HN 0.353 nan 8.290 nan 0.000 0.554 298 N N 0.145 118.834 118.700 -0.018 0.000 2.192 298 N HA -0.133 4.607 4.740 -0.000 0.000 0.188 298 N C 2.118 177.616 175.510 -0.020 0.000 1.013 298 N CA 1.751 54.789 53.050 -0.019 0.000 0.863 298 N CB -0.133 38.342 38.487 -0.021 0.000 0.990 298 N HN 0.493 nan 8.380 nan 0.000 0.430 299 V N -5.586 114.316 119.914 -0.021 0.000 3.432 299 V HA 0.560 4.680 4.120 -0.000 0.000 0.298 299 V C 1.095 177.176 176.094 -0.022 0.000 1.464 299 V CA 0.485 62.771 62.300 -0.023 0.000 1.046 299 V CB 0.234 32.040 31.823 -0.029 0.000 0.887 299 V HN 0.202 nan 8.190 nan 0.000 0.441 300 G N 0.869 109.658 108.800 -0.018 0.000 2.143 300 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.249 300 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.249 300 G C 0.116 175.007 174.900 -0.015 0.000 0.981 300 G CA 0.099 45.190 45.100 -0.015 0.000 0.665 300 G HN 0.962 nan 8.290 nan 0.000 0.528 301 V N 1.402 121.306 119.914 -0.018 0.000 2.509 301 V HA 0.116 4.236 4.120 -0.000 0.000 0.297 301 V C 1.174 177.263 176.094 -0.007 0.000 1.014 301 V CA 0.693 62.984 62.300 -0.016 0.000 1.127 301 V CB 0.609 32.422 31.823 -0.018 0.000 0.925 301 V HN 0.382 nan 8.190 nan 0.000 0.480 302 K N 5.642 126.040 120.400 -0.004 0.000 2.218 302 K HA 0.550 4.870 4.320 -0.000 0.000 0.276 302 K C -0.528 176.075 176.600 0.005 0.000 1.022 302 K CA -0.434 55.854 56.287 0.001 0.000 0.946 302 K CB 1.015 33.516 32.500 0.002 0.000 1.000 302 K HN 0.494 nan 8.250 nan 0.000 0.468 303 L N 1.445 122.672 121.223 0.006 0.000 2.352 303 L HA 0.331 4.671 4.340 -0.000 0.000 0.269 303 L C 0.853 177.730 176.870 0.010 0.000 1.034 303 L CA -0.996 53.850 54.840 0.010 0.000 0.806 303 L CB 1.537 43.603 42.059 0.012 0.000 1.244 303 L HN 0.756 nan 8.230 nan 0.000 0.447 304 T N -2.511 112.050 114.554 0.012 0.000 2.868 304 T HA 0.193 4.543 4.350 -0.000 0.000 0.292 304 T C -1.700 173.007 174.700 0.012 0.000 1.028 304 T CA -1.435 60.671 62.100 0.010 0.000 1.059 304 T CB 0.814 69.688 68.868 0.009 0.000 0.991 304 T HN 0.420 nan 8.240 nan 0.000 0.531 305 P HA -0.097 nan 4.420 nan 0.000 0.219 305 P C 0.739 178.049 177.300 0.018 0.000 1.146 305 P CA 1.230 64.337 63.100 0.013 0.000 0.808 305 P CB -0.074 31.633 31.700 0.011 0.000 0.779 306 K N -1.205 119.207 120.400 0.020 0.000 2.500 306 K HA 0.443 4.763 4.320 -0.000 0.000 0.206 306 K C 1.045 177.665 176.600 0.033 0.000 1.034 306 K CA 0.448 56.752 56.287 0.028 0.000 1.179 306 K CB -0.421 32.096 32.500 0.030 0.000 0.884 306 K HN 0.081 nan 8.250 nan 0.000 0.493 307 G N 0.598 109.416 108.800 0.029 0.000 2.217 307 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.246 307 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.246 307 G C 0.465 175.385 174.900 0.033 0.000 0.990 307 G CA -0.293 44.826 45.100 0.033 0.000 0.627 307 G HN 0.641 nan 8.290 nan 0.000 0.522 308 G N -0.360 108.458 108.800 0.031 0.000 2.503 308 G HA2 0.563 4.523 3.960 -0.000 0.000 0.257 308 G HA3 0.563 4.523 3.960 -0.000 0.000 0.257 308 G C 0.355 175.269 174.900 0.025 0.000 1.214 308 G CA 0.256 45.374 45.100 0.030 0.000 0.839 308 G HN 0.968 nan 8.290 nan 0.000 0.559 309 V N 1.655 121.586 119.914 0.028 0.000 2.521 309 V HA 0.055 4.175 4.120 -0.000 0.000 0.286 309 V C 0.604 176.712 176.094 0.023 0.000 1.034 309 V CA -0.237 62.078 62.300 0.025 0.000 1.045 309 V CB 1.090 32.932 31.823 0.031 0.000 0.974 309 V HN 0.767 nan 8.190 nan 0.000 0.480 310 Q N 4.798 124.609 119.800 0.018 0.000 2.297 310 Q HA 0.439 4.779 4.340 -0.000 0.000 0.267 310 Q C -0.646 175.370 176.000 0.026 0.000 1.006 310 Q CA 0.168 55.981 55.803 0.016 0.000 0.896 310 Q CB 1.142 29.887 28.738 0.012 0.000 1.186 310 Q HN 0.760 nan 8.270 nan 0.000 0.392 311 V N 0.656 120.587 119.914 0.028 0.000 3.114 311 V HA 0.686 4.806 4.120 -0.000 0.000 0.308 311 V C -0.669 175.450 176.094 0.041 0.000 1.168 311 V CA -1.066 61.264 62.300 0.049 0.000 1.015 311 V CB 2.002 33.863 31.823 0.064 0.000 1.050 311 V HN 0.849 nan 8.190 nan 0.000 0.433 312 D N 0.540 120.981 120.400 0.068 0.000 2.478 312 D HA 0.263 4.903 4.640 -0.000 0.000 0.274 312 D C 0.762 177.069 176.300 0.013 0.000 1.234 312 D CA -0.199 53.832 54.000 0.051 0.000 1.069 312 D CB 0.564 41.427 40.800 0.105 0.000 1.113 312 D HN 0.681 nan 8.370 nan 0.000 0.571 313 E N -1.541 118.605 120.200 -0.091 0.000 2.267 313 E HA -0.095 4.255 4.350 -0.000 0.000 0.197 313 E C 0.691 177.122 176.600 -0.281 0.000 0.998 313 E CA 0.830 57.088 56.400 -0.237 0.000 0.830 313 E CB -0.270 29.160 29.700 -0.450 0.000 0.751 313 E HN 0.371 nan 8.360 nan 0.000 0.491 314 F N -0.322 119.657 119.950 0.048 0.000 2.641 314 F HA 0.188 4.715 4.527 -0.000 0.000 0.302 314 F C 0.627 176.446 175.800 0.031 0.000 1.098 314 F CA -0.101 57.913 58.000 0.023 0.000 1.318 314 F CB 0.372 39.374 39.000 0.003 0.000 1.035 314 F HN -0.238 nan 8.300 nan 0.000 0.551 315 S N -0.341 115.472 115.700 0.187 0.000 3.482 315 S HA -0.236 4.234 4.470 -0.000 0.000 0.294 315 S C 0.409 175.160 174.600 0.251 0.000 1.244 315 S CA 0.238 58.541 58.200 0.173 0.000 0.911 315 S CB -1.663 61.622 63.200 0.141 0.000 1.070 315 S HN 0.468 nan 8.310 nan 0.000 0.614 316 R N 2.009 122.667 120.500 0.264 0.000 2.357 316 R HA 0.467 4.807 4.340 -0.000 0.000 0.296 316 R C 1.152 177.531 176.300 0.132 0.000 1.052 316 R CA 0.284 56.553 56.100 0.282 0.000 0.988 316 R CB 0.652 31.105 30.300 0.255 0.000 1.025 316 R HN 0.507 nan 8.270 nan 0.000 0.469 317 T N -1.221 113.362 114.554 0.049 0.000 2.771 317 T HA 0.002 4.351 4.350 -0.000 0.000 0.290 317 T C 1.334 176.035 174.700 0.001 0.000 1.005 317 T CA -0.638 61.469 62.100 0.012 0.000 0.944 317 T CB 0.542 69.397 68.868 -0.022 0.000 1.147 317 T HN 0.704 nan 8.240 nan 0.000 0.534 318 N N -0.301 118.396 118.700 -0.004 0.000 2.512 318 N HA -0.047 4.693 4.740 -0.000 0.000 0.183 318 N C 0.132 175.627 175.510 -0.025 0.000 1.073 318 N CA 0.198 53.245 53.050 -0.006 0.000 0.911 318 N CB -0.522 37.964 38.487 -0.002 0.000 0.964 318 N HN 0.405 nan 8.380 nan 0.000 0.447 319 V N 2.559 122.443 119.914 -0.050 0.000 2.385 319 V HA 0.168 4.288 4.120 -0.000 0.000 0.269 319 V C -1.209 174.815 176.094 -0.118 0.000 1.043 319 V CA -1.337 60.920 62.300 -0.073 0.000 0.906 319 V CB 1.195 32.974 31.823 -0.073 0.000 0.995 319 V HN -0.072 nan 8.190 nan 0.000 0.467 320 P HA -0.239 nan 4.420 nan 0.000 0.225 320 P C 0.807 178.029 177.300 -0.130 0.000 1.154 320 P CA 2.047 65.106 63.100 -0.069 0.000 0.933 320 P CB 0.035 31.710 31.700 -0.041 0.000 0.790 321 N N -2.038 116.541 118.700 -0.201 0.000 2.282 321 N HA 0.114 4.854 4.740 -0.000 0.000 0.240 321 N C -0.181 174.973 175.510 -0.594 0.000 1.182 321 N CA 0.004 52.901 53.050 -0.256 0.000 0.874 321 N CB 0.356 38.812 38.487 -0.052 0.000 1.126 321 N HN 0.199 nan 8.380 nan 0.000 0.516 322 I N 1.326 121.483 120.570 -0.690 0.000 2.406 322 I HA 0.375 4.545 4.170 -0.000 0.000 0.290 322 I C -0.979 174.734 176.117 -0.673 0.000 0.999 322 I CA -0.934 60.042 61.300 -0.540 0.000 1.124 322 I CB 0.841 38.708 38.000 -0.223 0.000 1.289 322 I HN -0.125 nan 8.210 nan 0.000 0.441 323 Y N 4.231 124.552 120.300 0.035 0.000 2.562 323 Y HA 0.831 5.381 4.550 -0.000 0.000 0.343 323 Y C 0.117 176.038 175.900 0.035 0.000 1.025 323 Y CA -1.185 56.932 58.100 0.029 0.000 1.082 323 Y CB 1.829 40.297 38.460 0.012 0.000 1.264 323 Y HN 0.547 nan 8.280 nan 0.000 0.478 324 A N 2.165 125.106 122.820 0.201 0.000 2.427 324 A HA 0.858 5.178 4.320 -0.000 0.000 0.298 324 A C -1.303 176.353 177.584 0.121 0.000 1.036 324 A CA -0.607 51.509 52.037 0.132 0.000 0.701 324 A CB 0.719 19.770 19.000 0.085 0.000 1.250 324 A HN 0.773 nan 8.150 nan 0.000 0.412 325 I N -0.723 119.911 120.570 0.106 0.000 2.969 325 I HA 0.998 5.168 4.170 -0.000 0.000 0.307 325 I C 0.403 176.572 176.117 0.086 0.000 1.149 325 I CA -0.005 61.353 61.300 0.097 0.000 1.008 325 I CB 2.123 40.178 38.000 0.092 0.000 1.232 325 I HN 1.934 nan 8.210 nan 0.000 0.435 326 G N 2.967 111.819 108.800 0.086 0.000 2.428 326 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.202 326 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.202 326 G C -0.249 174.695 174.900 0.073 0.000 1.247 326 G CA 0.226 45.373 45.100 0.079 0.000 1.020 326 G HN 0.721 nan 8.290 nan 0.000 0.529 327 D N -0.281 120.162 120.400 0.071 0.000 2.218 327 D HA -0.018 4.622 4.640 -0.000 0.000 0.204 327 D C 2.311 178.653 176.300 0.070 0.000 0.976 327 D CA 0.957 54.999 54.000 0.070 0.000 0.853 327 D CB -0.034 40.815 40.800 0.081 0.000 0.939 327 D HN 0.427 nan 8.370 nan 0.000 0.481 328 I N 0.872 121.484 120.570 0.070 0.000 2.530 328 I HA -0.238 3.932 4.170 -0.000 0.000 0.257 328 I C 1.718 177.867 176.117 0.053 0.000 1.179 328 I CA 1.303 62.642 61.300 0.064 0.000 1.440 328 I CB -0.014 38.022 38.000 0.061 0.000 1.087 328 I HN 0.092 nan 8.210 nan 0.000 0.440 329 T N -3.474 111.110 114.554 0.050 0.000 3.088 329 T HA -0.071 4.279 4.350 -0.000 0.000 0.259 329 T C 1.137 175.846 174.700 0.016 0.000 1.122 329 T CA 0.533 62.653 62.100 0.033 0.000 1.095 329 T CB -0.060 68.828 68.868 0.033 0.000 0.930 329 T HN 0.406 nan 8.240 nan 0.000 0.508 330 D N 0.800 121.216 120.400 0.026 0.000 3.012 330 D HA -0.177 4.463 4.640 -0.000 0.000 0.222 330 D C 0.971 177.266 176.300 -0.009 0.000 1.167 330 D CA 0.638 54.650 54.000 0.019 0.000 0.854 330 D CB -0.952 39.860 40.800 0.019 0.000 1.107 330 D HN 0.584 nan 8.370 nan 0.000 0.421 331 R N -0.529 119.956 120.500 -0.024 0.000 2.023 331 R HA 0.327 4.667 4.340 -0.000 0.000 0.217 331 R C 0.927 177.206 176.300 -0.036 0.000 1.255 331 R CA 0.313 56.353 56.100 -0.101 0.000 0.981 331 R CB 0.296 30.451 30.300 -0.242 0.000 0.853 331 R HN 0.117 nan 8.270 nan 0.000 0.463 332 L N 1.834 123.087 121.223 0.050 0.000 2.404 332 L HA 0.390 4.730 4.340 -0.000 0.000 0.272 332 L C -0.774 176.129 176.870 0.056 0.000 0.980 332 L CA -0.327 54.557 54.840 0.073 0.000 0.836 332 L CB 2.010 44.152 42.059 0.138 0.000 1.238 332 L HN 0.308 nan 8.230 nan 0.000 0.408 333 M N 6.476 126.087 119.600 0.017 0.000 3.436 333 M HA 0.316 4.796 4.480 -0.000 0.000 0.240 333 M C -0.923 175.355 176.300 -0.037 0.000 1.469 333 M CA 0.315 55.616 55.300 0.001 0.000 1.622 333 M CB -0.349 32.247 32.600 -0.006 0.000 1.098 333 M HN 0.359 nan 8.290 nan 0.000 0.568 334 L N -0.219 121.004 121.223 -0.000 0.000 2.362 334 L HA 0.401 4.741 4.340 -0.000 0.000 0.271 334 L C 1.324 178.210 176.870 0.027 0.000 1.002 334 L CA -0.532 54.307 54.840 -0.001 0.000 0.818 334 L CB 2.134 44.203 42.059 0.017 0.000 1.298 334 L HN 0.302 nan 8.230 nan 0.000 0.420 335 T N 1.585 116.158 114.554 0.032 0.000 2.635 335 T HA -0.082 4.268 4.350 -0.000 0.000 0.267 335 T C -1.051 173.674 174.700 0.041 0.000 1.040 335 T CA 1.854 63.978 62.100 0.040 0.000 1.156 335 T CB -0.493 68.399 68.868 0.041 0.000 0.863 335 T HN 0.485 nan 8.240 nan 0.000 0.430 336 P HA 0.064 nan 4.420 nan 0.000 0.221 336 P C 1.525 178.843 177.300 0.030 0.000 1.150 336 P CA 0.422 63.543 63.100 0.037 0.000 0.800 336 P CB -0.146 31.578 31.700 0.040 0.000 0.787 337 V N 0.559 120.493 119.914 0.033 0.000 2.343 337 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 337 V C 2.497 178.617 176.094 0.042 0.000 1.051 337 V CA 2.235 64.552 62.300 0.028 0.000 1.036 337 V CB -1.754 30.102 31.823 0.056 0.000 0.654 337 V HN 0.103 nan 8.190 nan 0.000 0.451 338 A N -0.377 122.476 122.820 0.054 0.000 2.019 338 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 338 A C 2.174 179.790 177.584 0.054 0.000 1.164 338 A CA 1.669 53.743 52.037 0.060 0.000 0.644 338 A CB -0.494 18.541 19.000 0.060 0.000 0.805 338 A HN 0.530 nan 8.150 nan 0.000 0.449 339 I N -0.508 120.089 120.570 0.045 0.000 2.233 339 I HA -0.217 3.953 4.170 -0.000 0.000 0.243 339 I C 2.526 178.670 176.117 0.044 0.000 1.093 339 I CA 1.181 62.508 61.300 0.046 0.000 1.380 339 I CB -0.405 37.618 38.000 0.039 0.000 1.067 339 I HN 0.473 nan 8.210 nan 0.000 0.413 340 N N 1.097 119.815 118.700 0.029 0.000 2.018 340 N HA -0.254 4.486 4.740 -0.000 0.000 0.196 340 N C 1.752 177.276 175.510 0.023 0.000 1.043 340 N CA 1.861 54.921 53.050 0.017 0.000 0.856 340 N CB -0.033 38.445 38.487 -0.015 0.000 1.042 340 N HN 0.376 nan 8.380 nan 0.000 0.423 341 E N -0.400 119.815 120.200 0.025 0.000 2.065 341 E HA -0.195 4.155 4.350 -0.000 0.000 0.201 341 E C 1.966 178.598 176.600 0.053 0.000 1.016 341 E CA 1.394 57.821 56.400 0.046 0.000 0.818 341 E CB -0.429 29.318 29.700 0.077 0.000 0.749 341 E HN 0.532 nan 8.360 nan 0.000 0.453 342 G N 0.738 109.574 108.800 0.060 0.000 2.408 342 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.217 342 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.217 342 G C 1.664 176.606 174.900 0.070 0.000 1.150 342 G CA 0.812 45.951 45.100 0.065 0.000 0.776 342 G HN 0.348 nan 8.290 nan 0.000 0.542 343 A N 1.128 123.994 122.820 0.076 0.000 1.898 343 A HA 0.334 4.654 4.320 -0.000 0.000 0.216 343 A C 2.780 180.412 177.584 0.080 0.000 1.181 343 A CA 2.096 54.188 52.037 0.093 0.000 0.620 343 A CB -0.680 18.372 19.000 0.087 0.000 0.819 343 A HN 0.689 nan 8.150 nan 0.000 0.442 344 A N -0.462 122.392 122.820 0.057 0.000 1.898 344 A HA 0.036 4.356 4.320 -0.000 0.000 0.216 344 A C 2.149 179.745 177.584 0.020 0.000 1.181 344 A CA 1.536 53.605 52.037 0.053 0.000 0.620 344 A CB -0.615 18.419 19.000 0.057 0.000 0.819 344 A HN 0.675 nan 8.150 nan 0.000 0.442 345 L N -0.081 121.137 121.223 -0.008 0.000 1.989 345 L HA -0.138 4.202 4.340 -0.000 0.000 0.211 345 L C 2.358 179.099 176.870 -0.215 0.000 1.071 345 L CA 2.051 56.819 54.840 -0.121 0.000 0.749 345 L CB -0.496 41.487 42.059 -0.127 0.000 0.890 345 L HN 0.141 nan 8.230 nan 0.000 0.431 346 V N 0.257 120.114 119.914 -0.094 0.000 2.324 346 V HA -0.349 3.771 4.120 -0.000 0.000 0.250 346 V C 2.263 178.327 176.094 -0.050 0.000 1.060 346 V CA 2.124 64.404 62.300 -0.032 0.000 1.042 346 V CB -0.873 31.064 31.823 0.190 0.000 0.650 346 V HN 0.542 nan 8.190 nan 0.000 0.450 347 D N -0.371 120.048 120.400 0.031 0.000 2.144 347 D HA -0.128 4.512 4.640 -0.000 0.000 0.199 347 D C 2.254 178.472 176.300 -0.137 0.000 0.984 347 D CA 1.828 55.841 54.000 0.022 0.000 0.834 347 D CB -0.285 40.574 40.800 0.098 0.000 0.955 347 D HN 0.437 nan 8.370 nan 0.000 0.465 348 T N -0.004 114.437 114.554 -0.188 0.000 2.896 348 T HA -0.020 4.330 4.350 -0.000 0.000 0.263 348 T C 2.195 176.652 174.700 -0.405 0.000 1.050 348 T CA 0.368 62.309 62.100 -0.265 0.000 1.140 348 T CB 0.052 68.777 68.868 -0.238 0.000 0.877 348 T HN -0.020 nan 8.240 nan 0.000 0.457 349 V N 0.172 119.727 119.914 -0.598 0.000 2.535 349 V HA 0.069 4.189 4.120 -0.000 0.000 0.246 349 V C 1.475 177.056 176.094 -0.855 0.000 1.045 349 V CA 1.332 63.087 62.300 -0.908 0.000 1.058 349 V CB -0.388 30.555 31.823 -1.466 0.000 0.689 349 V HN 0.400 nan 8.190 nan 0.000 0.461 350 F N -0.268 119.398 119.950 -0.474 0.000 2.706 350 F HA 0.542 5.069 4.527 -0.000 0.000 0.313 350 F C 1.200 176.513 175.800 -0.813 0.000 1.096 350 F CA -0.213 57.419 58.000 -0.613 0.000 1.219 350 F CB -0.191 38.374 39.000 -0.725 0.000 1.051 350 F HN 0.122 nan 8.300 nan 0.000 0.568 351 G N 0.165 108.687 108.800 -0.463 0.000 2.938 351 G HA2 0.191 4.151 3.960 -0.000 0.000 0.258 351 G HA3 0.191 4.151 3.960 -0.000 0.000 0.258 351 G C 0.497 175.336 174.900 -0.102 0.000 1.356 351 G CA -0.402 44.564 45.100 -0.222 0.000 1.052 351 G HN 0.242 nan 8.290 nan 0.000 0.550 352 N N -1.505 117.181 118.700 -0.024 0.000 2.299 352 N HA 0.062 4.802 4.740 -0.000 0.000 0.187 352 N C 0.308 175.794 175.510 -0.041 0.000 1.099 352 N CA -0.022 53.010 53.050 -0.030 0.000 0.867 352 N CB 0.603 39.089 38.487 -0.001 0.000 0.974 352 N HN 0.203 nan 8.380 nan 0.000 0.477 353 K N 1.968 122.348 120.400 -0.034 0.000 2.449 353 K HA 0.374 4.694 4.320 -0.000 0.000 0.257 353 K C -2.753 173.813 176.600 -0.057 0.000 0.989 353 K CA -2.184 54.085 56.287 -0.029 0.000 0.916 353 K CB 1.589 34.097 32.500 0.013 0.000 1.136 353 K HN -0.150 nan 8.250 nan 0.000 0.439 354 P HA -0.018 nan 4.420 nan 0.000 0.261 354 P C -1.112 176.229 177.300 0.070 0.000 1.183 354 P CA 0.287 63.269 63.100 -0.196 0.000 0.761 354 P CB 0.535 31.959 31.700 -0.460 0.000 0.785 355 R N 2.825 123.441 120.500 0.194 0.000 2.574 355 R HA 0.347 4.687 4.340 -0.000 0.000 0.288 355 R C -0.168 176.314 176.300 0.304 0.000 1.004 355 R CA -0.929 55.319 56.100 0.246 0.000 0.895 355 R CB 2.333 32.703 30.300 0.116 0.000 1.191 355 R HN 0.469 nan 8.270 nan 0.000 0.444 356 K N 1.009 121.502 120.400 0.154 0.000 2.259 356 K HA 0.417 4.737 4.320 -0.000 0.000 0.252 356 K C -0.662 175.902 176.600 -0.059 0.000 0.936 356 K CA -0.749 55.514 56.287 -0.040 0.000 0.810 356 K CB 1.963 34.255 32.500 -0.346 0.000 1.143 356 K HN 0.207 nan 8.250 nan 0.000 0.427 357 T N 2.053 116.550 114.554 -0.094 0.000 2.888 357 T HA -0.036 4.314 4.350 -0.000 0.000 0.301 357 T C -0.455 174.067 174.700 -0.297 0.000 1.001 357 T CA 0.208 62.184 62.100 -0.207 0.000 1.147 357 T CB 0.422 69.114 68.868 -0.293 0.000 0.931 357 T HN 0.554 nan 8.240 nan 0.000 0.541 358 D N 1.247 121.501 120.400 -0.242 0.000 2.347 358 D HA 0.055 4.695 4.640 -0.000 0.000 0.235 358 D C 0.841 176.987 176.300 -0.256 0.000 1.149 358 D CA -0.405 53.489 54.000 -0.175 0.000 0.850 358 D CB 0.403 41.160 40.800 -0.072 0.000 1.061 358 D HN 0.544 nan 8.370 nan 0.000 0.487 359 H N 2.276 121.341 119.070 -0.008 0.000 2.543 359 H HA 0.085 4.641 4.556 -0.000 0.000 0.269 359 H C 0.539 175.870 175.328 0.006 0.000 1.005 359 H CA 0.332 56.380 56.048 -0.000 0.000 1.146 359 H CB 0.022 29.780 29.762 -0.005 0.000 1.353 359 H HN 0.388 nan 8.280 nan 0.000 0.595 360 T N -2.231 112.368 114.554 0.075 0.000 2.945 360 T HA 0.379 4.729 4.350 -0.000 0.000 0.286 360 T C 0.560 175.283 174.700 0.039 0.000 1.025 360 T CA -0.951 61.186 62.100 0.061 0.000 1.039 360 T CB 2.180 71.081 68.868 0.055 0.000 1.068 360 T HN 0.282 nan 8.240 nan 0.000 0.497 361 R N -0.647 119.877 120.500 0.039 0.000 3.641 361 R HA -0.100 4.240 4.340 -0.000 0.000 0.286 361 R C -0.524 175.792 176.300 0.026 0.000 1.153 361 R CA 0.428 56.545 56.100 0.030 0.000 0.775 361 R CB -2.570 27.747 30.300 0.028 0.000 1.215 361 R HN 0.554 nan 8.270 nan 0.000 0.474 362 V N 1.088 121.021 119.914 0.032 0.000 2.432 362 V HA 0.451 4.571 4.120 -0.000 0.000 0.271 362 V C 1.100 177.221 176.094 0.044 0.000 1.046 362 V CA -0.034 62.286 62.300 0.034 0.000 0.945 362 V CB 1.381 33.229 31.823 0.040 0.000 0.992 362 V HN 0.371 nan 8.190 nan 0.000 0.471 363 A N 5.117 127.963 122.820 0.044 0.000 2.401 363 A HA 0.728 5.048 4.320 -0.000 0.000 0.259 363 A C 0.500 178.128 177.584 0.074 0.000 1.103 363 A CA 0.156 52.225 52.037 0.052 0.000 0.789 363 A CB 0.360 19.388 19.000 0.047 0.000 1.035 363 A HN 1.151 nan 8.150 nan 0.000 0.491 364 S N 0.174 115.930 115.700 0.093 0.000 2.671 364 S HA 0.885 5.355 4.470 -0.000 0.000 0.277 364 S C -0.598 174.061 174.600 0.098 0.000 1.165 364 S CA -0.197 58.076 58.200 0.123 0.000 0.822 364 S CB 1.445 64.757 63.200 0.188 0.000 1.150 364 S HN 2.169 nan 8.310 nan 0.000 0.479 365 A N 0.426 123.277 122.820 0.052 0.000 2.435 365 A HA 0.786 5.106 4.320 -0.000 0.000 0.304 365 A C -1.087 176.419 177.584 -0.130 0.000 1.064 365 A CA -0.820 51.089 52.037 -0.213 0.000 0.727 365 A CB 1.617 20.203 19.000 -0.688 0.000 1.284 365 A HN 1.118 nan 8.150 nan 0.000 0.415 366 V N 1.759 121.510 119.914 -0.270 0.000 2.370 366 V HA 0.290 4.410 4.120 -0.000 0.000 0.279 366 V C -0.543 175.300 176.094 -0.418 0.000 1.029 366 V CA -0.081 62.062 62.300 -0.261 0.000 0.870 366 V CB 0.634 32.175 31.823 -0.470 0.000 0.984 366 V HN 0.734 nan 8.190 nan 0.000 0.451 367 F N 2.988 122.942 119.950 0.007 0.000 2.859 367 F HA 0.168 4.695 4.527 -0.000 0.000 0.315 367 F C 1.528 177.274 175.800 -0.089 0.000 1.207 367 F CA -0.282 57.693 58.000 -0.042 0.000 1.370 367 F CB -0.587 38.394 39.000 -0.032 0.000 1.314 367 F HN 0.563 nan 8.300 nan 0.000 0.555 368 S N -0.326 115.349 115.700 -0.042 0.000 2.617 368 S HA 0.508 4.978 4.470 -0.000 0.000 0.259 368 S C -0.094 174.470 174.600 -0.059 0.000 1.301 368 S CA -0.695 57.460 58.200 -0.075 0.000 0.984 368 S CB 1.319 64.428 63.200 -0.153 0.000 0.954 368 S HN 0.253 nan 8.310 nan 0.000 0.572 369 I N 2.562 123.093 120.570 -0.064 0.000 2.371 369 I HA 0.339 4.509 4.170 -0.000 0.000 0.282 369 I C -2.226 173.856 176.117 -0.058 0.000 1.031 369 I CA -2.043 59.221 61.300 -0.059 0.000 1.180 369 I CB 1.312 39.281 38.000 -0.052 0.000 1.336 369 I HN 0.501 nan 8.210 nan 0.000 0.467 370 P HA 0.529 nan 4.420 nan 0.000 0.280 370 P C -2.828 174.394 177.300 -0.130 0.000 1.272 370 P CA -2.167 60.875 63.100 -0.096 0.000 0.819 370 P CB 0.571 32.203 31.700 -0.113 0.000 1.122 371 P HA 0.467 nan 4.420 nan 0.000 0.285 371 P C -0.630 176.528 177.300 -0.235 0.000 1.269 371 P CA -0.509 62.488 63.100 -0.172 0.000 0.844 371 P CB 0.922 32.555 31.700 -0.113 0.000 1.094 372 I N 0.269 120.669 120.570 -0.283 0.000 2.460 372 I HA 0.637 4.807 4.170 -0.000 0.000 0.298 372 I C 0.723 176.723 176.117 -0.195 0.000 0.989 372 I CA -0.176 60.978 61.300 -0.243 0.000 1.173 372 I CB 1.822 39.653 38.000 -0.282 0.000 1.338 372 I HN 0.379 nan 8.210 nan 0.000 0.456 373 G N 2.328 111.068 108.800 -0.100 0.000 2.617 373 G HA2 0.651 4.611 3.960 -0.000 0.000 0.306 373 G HA3 0.651 4.611 3.960 -0.000 0.000 0.306 373 G C -1.237 173.693 174.900 0.050 0.000 1.360 373 G CA -0.356 44.723 45.100 -0.033 0.000 0.983 373 G HN 0.507 nan 8.290 nan 0.000 0.496 374 T N -1.075 113.533 114.554 0.089 0.000 2.853 374 T HA 0.568 4.918 4.350 -0.000 0.000 0.311 374 T C -1.728 173.004 174.700 0.052 0.000 1.307 374 T CA -0.437 61.734 62.100 0.118 0.000 1.019 374 T CB 1.572 70.619 68.868 0.297 0.000 1.264 374 T HN 1.353 nan 8.240 nan 0.000 0.497 375 C N 2.805 122.083 119.300 -0.037 0.000 2.947 375 C HA 0.803 5.263 4.460 -0.000 0.000 0.401 375 C C 0.600 175.543 174.990 -0.078 0.000 1.019 375 C CA 1.167 60.168 59.018 -0.028 0.000 1.230 375 C CB -0.051 27.679 27.740 -0.017 0.000 1.644 375 C HN 1.898 nan 8.230 nan 0.000 0.523 376 G N 4.558 113.353 108.800 -0.008 0.000 2.545 376 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.216 376 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.216 376 G C -1.045 173.898 174.900 0.072 0.000 1.314 376 G CA -0.317 44.788 45.100 0.008 0.000 0.906 376 G HN 1.129 nan 8.290 nan 0.000 0.563 377 L N 1.507 122.779 121.223 0.083 0.000 2.371 377 L HA 0.524 4.864 4.340 -0.000 0.000 0.272 377 L C 1.559 178.563 176.870 0.224 0.000 1.124 377 L CA -0.725 54.187 54.840 0.120 0.000 0.816 377 L CB 0.963 43.086 42.059 0.106 0.000 1.129 377 L HN 0.722 nan 8.230 nan 0.000 0.448 378 I N -0.512 120.129 120.570 0.117 0.000 2.945 378 I HA 0.108 4.278 4.170 -0.000 0.000 0.292 378 I C 1.292 177.418 176.117 0.014 0.000 1.093 378 I CA -0.588 60.720 61.300 0.012 0.000 1.336 378 I CB 0.866 38.768 38.000 -0.163 0.000 1.435 378 I HN 0.825 nan 8.210 nan 0.000 0.593 379 E N 2.570 122.765 120.200 -0.008 0.000 2.085 379 E HA -0.256 4.094 4.350 -0.000 0.000 0.194 379 E C 1.332 177.765 176.600 -0.278 0.000 0.994 379 E CA 1.546 57.894 56.400 -0.087 0.000 0.801 379 E CB -0.402 29.313 29.700 0.026 0.000 0.743 379 E HN 0.819 nan 8.360 nan 0.000 0.453 380 E N 1.601 121.669 120.200 -0.220 0.000 2.204 380 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 380 E C 2.320 178.841 176.600 -0.131 0.000 0.989 380 E CA 1.043 57.306 56.400 -0.228 0.000 0.824 380 E CB -0.483 29.149 29.700 -0.113 0.000 0.756 380 E HN 0.287 nan 8.360 nan 0.000 0.477 381 V N 1.902 121.774 119.914 -0.070 0.000 2.407 381 V HA -0.113 4.007 4.120 -0.000 0.000 0.245 381 V C 2.648 178.756 176.094 0.024 0.000 1.041 381 V CA 1.532 63.820 62.300 -0.020 0.000 1.040 381 V CB -0.731 31.092 31.823 -0.000 0.000 0.671 381 V HN 0.380 nan 8.190 nan 0.000 0.455 382 A N 0.409 123.259 122.820 0.051 0.000 1.883 382 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 382 A C 2.371 180.058 177.584 0.172 0.000 1.186 382 A CA 2.082 54.229 52.037 0.184 0.000 0.624 382 A CB -0.846 18.227 19.000 0.122 0.000 0.822 382 A HN 0.582 nan 8.150 nan 0.000 0.444 383 A N -0.602 122.203 122.820 -0.024 0.000 2.125 383 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 383 A C 1.911 179.508 177.584 0.022 0.000 1.156 383 A CA 1.521 53.544 52.037 -0.023 0.000 0.671 383 A CB -0.335 18.505 19.000 -0.267 0.000 0.794 383 A HN 0.553 nan 8.150 nan 0.000 0.459 384 K N -0.836 119.564 120.400 -0.001 0.000 2.393 384 K HA 0.080 4.400 4.320 -0.000 0.000 0.193 384 K C 0.911 177.484 176.600 -0.046 0.000 1.026 384 K CA 0.616 56.895 56.287 -0.013 0.000 1.064 384 K CB 0.298 32.785 32.500 -0.022 0.000 0.833 384 K HN 0.581 nan 8.250 nan 0.000 0.521 385 E N -0.598 119.561 120.200 -0.070 0.000 2.399 385 E HA 0.139 4.489 4.350 -0.000 0.000 0.205 385 E C -0.503 175.795 176.600 -0.502 0.000 0.906 385 E CA 0.108 56.323 56.400 -0.308 0.000 0.998 385 E CB 0.589 30.013 29.700 -0.459 0.000 1.002 385 E HN -0.012 nan 8.360 nan 0.000 0.501 386 F N 0.261 120.229 119.950 0.030 0.000 2.563 386 F HA 0.260 4.787 4.527 -0.000 0.000 0.316 386 F C 1.246 177.083 175.800 0.062 0.000 1.076 386 F CA -0.786 57.242 58.000 0.047 0.000 0.921 386 F CB 1.623 40.658 39.000 0.059 0.000 1.209 386 F HN -0.217 nan 8.300 nan 0.000 0.462 387 E N 1.243 121.590 120.200 0.245 0.000 2.072 387 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 387 E C -0.216 176.498 176.600 0.191 0.000 0.985 387 E CA 1.150 57.651 56.400 0.169 0.000 0.801 387 E CB 0.321 30.098 29.700 0.129 0.000 0.750 387 E HN 0.470 nan 8.360 nan 0.000 0.452 388 K N 0.552 121.086 120.400 0.223 0.000 2.413 388 K HA 0.399 4.719 4.320 -0.000 0.000 0.257 388 K C -1.509 175.249 176.600 0.264 0.000 0.946 388 K CA -0.492 55.936 56.287 0.234 0.000 0.823 388 K CB 2.829 35.461 32.500 0.221 0.000 1.109 388 K HN -0.153 nan 8.250 nan 0.000 0.427 389 V N 2.238 122.325 119.914 0.289 0.000 2.487 389 V HA 0.606 4.726 4.120 -0.000 0.000 0.298 389 V C -0.600 175.648 176.094 0.257 0.000 1.028 389 V CA -0.776 61.672 62.300 0.247 0.000 0.860 389 V CB 1.667 33.626 31.823 0.228 0.000 0.991 389 V HN 0.911 nan 8.190 nan 0.000 0.427 390 A N 4.572 127.483 122.820 0.152 0.000 2.320 390 A HA 0.927 5.247 4.320 -0.000 0.000 0.334 390 A C -0.947 176.517 177.584 -0.200 0.000 1.147 390 A CA -0.590 51.362 52.037 -0.141 0.000 0.820 390 A CB 1.759 20.639 19.000 -0.201 0.000 1.218 390 A HN 0.706 nan 8.150 nan 0.000 0.482 391 V N 2.120 121.698 119.914 -0.560 0.000 2.443 391 V HA 0.325 4.445 4.120 -0.000 0.000 0.293 391 V C -1.425 174.282 176.094 -0.644 0.000 1.021 391 V CA -0.324 61.687 62.300 -0.483 0.000 0.848 391 V CB 0.817 32.183 31.823 -0.762 0.000 0.998 391 V HN 0.781 nan 8.190 nan 0.000 0.424 392 Y N 4.851 124.983 120.300 -0.279 0.000 2.330 392 Y HA 0.734 5.284 4.550 -0.000 0.000 0.336 392 Y C 0.209 176.031 175.900 -0.130 0.000 1.036 392 Y CA -0.568 57.410 58.100 -0.202 0.000 1.125 392 Y CB 1.828 40.212 38.460 -0.128 0.000 1.194 392 Y HN 0.636 nan 8.280 nan 0.000 0.469 393 M N 3.160 122.777 119.600 0.028 0.000 2.326 393 M HA 0.519 4.999 4.480 -0.000 0.000 0.292 393 M C -1.528 174.844 176.300 0.119 0.000 1.081 393 M CA -0.330 55.010 55.300 0.067 0.000 0.919 393 M CB 1.712 34.339 32.600 0.045 0.000 1.634 393 M HN 0.541 nan 8.290 nan 0.000 0.451 394 S N 2.651 118.450 115.700 0.165 0.000 2.502 394 S HA 0.781 5.251 4.470 -0.000 0.000 0.304 394 S C -1.431 173.324 174.600 0.258 0.000 1.097 394 S CA -0.421 57.922 58.200 0.238 0.000 1.045 394 S CB 1.522 64.888 63.200 0.276 0.000 1.019 394 S HN 0.766 nan 8.310 nan 0.000 0.481 395 S N 4.919 120.806 115.700 0.311 0.000 2.706 395 S HA 0.750 5.220 4.470 -0.000 0.000 0.270 395 S C -1.239 173.585 174.600 0.374 0.000 1.163 395 S CA -0.689 57.666 58.200 0.259 0.000 1.042 395 S CB -0.030 63.267 63.200 0.161 0.000 1.079 395 S HN 1.031 nan 8.310 nan 0.000 0.474 396 F N 0.099 120.123 119.950 0.123 0.000 2.744 396 F HA 0.553 5.080 4.527 -0.000 0.000 0.311 396 F C -0.774 175.099 175.800 0.121 0.000 1.144 396 F CA -0.911 57.150 58.000 0.102 0.000 0.938 396 F CB 0.608 39.658 39.000 0.082 0.000 1.292 396 F HN 0.212 nan 8.300 nan 0.000 0.444 397 T N 3.892 118.565 114.554 0.198 0.000 2.751 397 T HA 0.313 4.663 4.350 -0.000 0.000 0.290 397 T C -2.479 172.298 174.700 0.128 0.000 0.919 397 T CA -0.542 61.624 62.100 0.109 0.000 1.136 397 T CB -0.042 68.911 68.868 0.142 0.000 0.875 397 T HN 0.349 nan 8.240 nan 0.000 0.532 398 P HA 0.018 nan 4.420 nan 0.000 0.266 398 P C 1.026 178.393 177.300 0.112 0.000 1.193 398 P CA -0.478 62.625 63.100 0.004 0.000 0.770 398 P CB 0.473 32.153 31.700 -0.033 0.000 0.836 399 L N 4.170 125.471 121.223 0.130 0.000 2.043 399 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 399 L C 2.204 179.115 176.870 0.068 0.000 1.075 399 L CA 2.044 56.947 54.840 0.105 0.000 0.752 399 L CB -1.276 40.841 42.059 0.098 0.000 0.891 399 L HN 0.507 nan 8.230 nan 0.000 0.432 400 M N -2.464 117.153 119.600 0.030 0.000 2.260 400 M HA -0.231 4.249 4.480 -0.000 0.000 0.261 400 M C 1.635 177.947 176.300 0.020 0.000 1.066 400 M CA 1.956 57.293 55.300 0.062 0.000 1.082 400 M CB -0.791 31.763 32.600 -0.077 0.000 1.388 400 M HN 0.225 nan 8.290 nan 0.000 0.419 401 H N 0.290 119.427 119.070 0.112 0.000 2.551 401 H HA 0.186 4.742 4.556 -0.000 0.000 0.266 401 H C 1.138 176.478 175.328 0.019 0.000 0.964 401 H CA 0.518 56.597 56.048 0.052 0.000 1.180 401 H CB -0.197 29.547 29.762 -0.031 0.000 1.408 401 H HN 0.541 nan 8.280 nan 0.000 0.563 402 N N 0.497 119.267 118.700 0.117 0.000 2.396 402 N HA -0.027 4.713 4.740 -0.000 0.000 0.180 402 N C 1.883 177.395 175.510 0.002 0.000 1.028 402 N CA 0.384 53.471 53.050 0.062 0.000 0.893 402 N CB 0.331 38.852 38.487 0.057 0.000 0.967 402 N HN 0.390 nan 8.380 nan 0.000 0.440 403 I N -0.003 120.538 120.570 -0.048 0.000 2.585 403 I HA -0.107 4.063 4.170 -0.000 0.000 0.254 403 I C 2.080 178.067 176.117 -0.217 0.000 1.129 403 I CA 0.651 61.815 61.300 -0.228 0.000 1.455 403 I CB -0.228 37.481 38.000 -0.485 0.000 1.111 403 I HN 0.101 nan 8.210 nan 0.000 0.433 404 S N 0.404 116.094 115.700 -0.017 0.000 2.481 404 S HA 0.015 4.485 4.470 -0.000 0.000 0.231 404 S C 1.739 176.422 174.600 0.138 0.000 0.996 404 S CA 1.058 59.367 58.200 0.182 0.000 0.942 404 S CB 0.191 63.666 63.200 0.459 0.000 0.768 404 S HN 0.619 nan 8.310 nan 0.000 0.520 405 G N 0.208 109.061 108.800 0.088 0.000 2.213 405 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.226 405 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.226 405 G C 0.437 175.378 174.900 0.069 0.000 0.992 405 G CA 0.131 45.276 45.100 0.076 0.000 0.632 405 G HN 0.744 nan 8.290 nan 0.000 0.511 406 S N 1.255 116.959 115.700 0.007 0.000 3.697 406 S HA 0.298 4.768 4.470 -0.000 0.000 0.207 406 S C 1.451 175.830 174.600 -0.369 0.000 1.459 406 S CA 0.300 58.308 58.200 -0.320 0.000 1.122 406 S CB 0.591 63.413 63.200 -0.631 0.000 1.311 406 S HN 0.549 nan 8.310 nan 0.000 0.487 407 K N 0.723 121.075 120.400 -0.079 0.000 2.286 407 K HA -0.194 4.126 4.320 -0.000 0.000 0.203 407 K C 1.418 178.001 176.600 -0.027 0.000 1.045 407 K CA 1.453 57.736 56.287 -0.005 0.000 0.935 407 K CB -0.331 32.211 32.500 0.071 0.000 0.737 407 K HN 0.819 nan 8.250 nan 0.000 0.460 408 Y N -0.352 119.942 120.300 -0.009 0.000 2.583 408 Y HA 0.114 4.664 4.550 -0.000 0.000 0.293 408 Y C 0.232 176.100 175.900 -0.053 0.000 1.157 408 Y CA -0.045 58.041 58.100 -0.024 0.000 1.315 408 Y CB -0.175 38.264 38.460 -0.035 0.000 1.021 408 Y HN -0.248 nan 8.280 nan 0.000 0.536 409 K N 2.788 122.890 120.400 -0.497 0.000 2.737 409 K HA 0.102 4.422 4.320 -0.000 0.000 0.251 409 K C -0.372 176.143 176.600 -0.143 0.000 1.280 409 K CA -0.016 56.032 56.287 -0.399 0.000 1.219 409 K CB -0.034 31.999 32.500 -0.778 0.000 1.587 409 K HN 0.347 nan 8.250 nan 0.000 0.279 410 K N 0.906 121.279 120.400 -0.045 0.000 2.436 410 K HA 0.014 4.334 4.320 -0.000 0.000 0.275 410 K C -0.204 176.378 176.600 -0.030 0.000 0.999 410 K CA 0.045 56.329 56.287 -0.005 0.000 0.980 410 K CB 0.406 32.929 32.500 0.039 0.000 0.919 410 K HN 0.172 nan 8.250 nan 0.000 0.484 411 F N 3.134 122.984 119.950 -0.167 0.000 2.411 411 F HA 0.186 4.713 4.527 -0.000 0.000 0.355 411 F C -0.380 175.352 175.800 -0.114 0.000 1.117 411 F CA -0.677 57.229 58.000 -0.157 0.000 1.139 411 F CB 0.791 39.656 39.000 -0.226 0.000 1.120 411 F HN 0.081 nan 8.300 nan 0.000 0.493 412 V N 5.723 125.529 119.914 -0.179 0.000 2.435 412 V HA 0.749 4.869 4.120 -0.000 0.000 0.290 412 V C -0.248 175.891 176.094 0.075 0.000 1.030 412 V CA -0.687 61.611 62.300 -0.002 0.000 0.881 412 V CB 1.182 32.967 31.823 -0.063 0.000 0.983 412 V HN 0.887 nan 8.190 nan 0.000 0.445 413 A N 5.300 128.240 122.820 0.201 0.000 2.343 413 A HA 0.858 5.178 4.320 -0.000 0.000 0.308 413 A C -0.604 177.055 177.584 0.125 0.000 1.092 413 A CA -0.753 51.398 52.037 0.190 0.000 0.751 413 A CB 1.246 20.388 19.000 0.236 0.000 1.203 413 A HN 0.780 nan 8.150 nan 0.000 0.452 414 K N 1.695 122.152 120.400 0.095 0.000 2.464 414 K HA 0.711 5.031 4.320 -0.000 0.000 0.253 414 K C -1.546 175.063 176.600 0.016 0.000 0.933 414 K CA -0.354 55.986 56.287 0.087 0.000 0.801 414 K CB 2.547 35.135 32.500 0.147 0.000 1.271 414 K HN 0.657 nan 8.250 nan 0.000 0.430 415 I N 2.187 122.760 120.570 0.004 0.000 2.498 415 I HA 0.339 4.509 4.170 -0.000 0.000 0.290 415 I C -0.884 175.249 176.117 0.026 0.000 1.032 415 I CA -1.216 60.026 61.300 -0.096 0.000 1.073 415 I CB 2.199 40.038 38.000 -0.269 0.000 1.251 415 I HN 0.176 nan 8.210 nan 0.000 0.426 416 V N 4.429 124.334 119.914 -0.014 0.000 2.409 416 V HA 0.505 4.625 4.120 -0.000 0.000 0.291 416 V C 0.085 176.182 176.094 0.004 0.000 1.020 416 V CA -0.392 61.931 62.300 0.037 0.000 0.848 416 V CB 1.807 33.670 31.823 0.066 0.000 0.990 416 V HN 0.876 nan 8.190 nan 0.000 0.430 417 T N 0.852 115.442 114.554 0.059 0.000 2.908 417 T HA 0.449 4.799 4.350 -0.000 0.000 0.290 417 T C -0.291 174.400 174.700 -0.017 0.000 1.034 417 T CA -0.857 61.256 62.100 0.022 0.000 1.010 417 T CB 1.687 70.638 68.868 0.137 0.000 1.068 417 T HN 0.447 nan 8.240 nan 0.000 0.481 418 N N 0.529 119.126 118.700 -0.172 0.000 2.431 418 N HA 0.036 4.776 4.740 -0.000 0.000 0.265 418 N C 0.494 176.021 175.510 0.027 0.000 1.184 418 N CA 0.053 52.981 53.050 -0.204 0.000 0.943 418 N CB 0.536 38.741 38.487 -0.470 0.000 1.080 418 N HN 0.897 nan 8.380 nan 0.000 0.477 419 H N 2.142 121.239 119.070 0.045 0.000 2.548 419 H HA 0.192 4.748 4.556 -0.000 0.000 0.268 419 H C 1.408 176.783 175.328 0.079 0.000 0.975 419 H CA 1.087 57.199 56.048 0.107 0.000 1.195 419 H CB 0.488 30.368 29.762 0.197 0.000 1.397 419 H HN 0.529 nan 8.280 nan 0.000 0.572 420 S N -0.032 115.681 115.700 0.021 0.000 2.368 420 S HA -0.141 4.329 4.470 -0.000 0.000 0.225 420 S C 1.263 175.822 174.600 -0.069 0.000 1.030 420 S CA 1.667 59.851 58.200 -0.027 0.000 0.999 420 S CB -0.061 63.168 63.200 0.049 0.000 0.844 420 S HN 0.867 nan 8.310 nan 0.000 0.459 421 D N -2.189 118.180 120.400 -0.051 0.000 2.500 421 D HA 0.274 4.914 4.640 -0.000 0.000 0.217 421 D C 1.048 177.323 176.300 -0.043 0.000 1.159 421 D CA 0.791 54.766 54.000 -0.042 0.000 0.828 421 D CB -0.264 40.529 40.800 -0.011 0.000 1.039 421 D HN 0.348 nan 8.370 nan 0.000 0.512 422 G N 0.143 108.918 108.800 -0.042 0.000 2.176 422 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.253 422 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.253 422 G C 0.448 175.347 174.900 -0.002 0.000 0.979 422 G CA 0.317 45.417 45.100 -0.001 0.000 0.641 422 G HN 0.440 nan 8.290 nan 0.000 0.530 423 T N 1.217 115.753 114.554 -0.031 0.000 2.905 423 T HA 0.329 4.679 4.350 -0.000 0.000 0.299 423 T C 0.873 175.539 174.700 -0.056 0.000 1.024 423 T CA 0.357 62.432 62.100 -0.041 0.000 1.151 423 T CB 1.736 70.557 68.868 -0.079 0.000 0.987 423 T HN 0.560 nan 8.240 nan 0.000 0.535 424 V N 6.078 125.981 119.914 -0.019 0.000 2.427 424 V HA 0.111 4.231 4.120 -0.000 0.000 0.268 424 V C 1.242 177.300 176.094 -0.060 0.000 1.046 424 V CA 0.064 62.336 62.300 -0.047 0.000 0.970 424 V CB 0.520 32.334 31.823 -0.015 0.000 1.001 424 V HN 0.815 nan 8.190 nan 0.000 0.476 425 L N 4.043 125.213 121.223 -0.090 0.000 2.463 425 L HA 0.500 4.840 4.340 -0.000 0.000 0.219 425 L C 1.041 177.884 176.870 -0.044 0.000 1.088 425 L CA 0.666 55.464 54.840 -0.069 0.000 0.849 425 L CB 0.184 42.180 42.059 -0.106 0.000 1.012 425 L HN 0.793 nan 8.230 nan 0.000 0.468 426 G N -0.489 108.254 108.800 -0.095 0.000 2.655 426 G HA2 0.501 4.461 3.960 -0.000 0.000 0.296 426 G HA3 0.501 4.461 3.960 -0.000 0.000 0.296 426 G C -1.898 172.783 174.900 -0.366 0.000 1.485 426 G CA -0.364 44.620 45.100 -0.192 0.000 0.869 426 G HN -0.285 nan 8.290 nan 0.000 0.540 427 V N 2.603 122.192 119.914 -0.543 0.000 2.604 427 V HA 0.696 4.816 4.120 -0.000 0.000 0.305 427 V C -0.801 174.845 176.094 -0.745 0.000 1.043 427 V CA -0.893 61.099 62.300 -0.513 0.000 0.888 427 V CB 1.887 33.529 31.823 -0.301 0.000 0.995 427 V HN 0.827 nan 8.190 nan 0.000 0.429 428 H N 4.806 123.868 119.070 -0.014 0.000 2.771 428 H HA 0.737 5.293 4.556 -0.000 0.000 0.361 428 H C -1.279 174.042 175.328 -0.012 0.000 1.108 428 H CA -0.617 55.431 56.048 0.001 0.000 1.201 428 H CB 2.441 32.213 29.762 0.016 0.000 1.681 428 H HN 0.420 nan 8.280 nan 0.000 0.534 429 L N 2.551 123.813 121.223 0.066 0.000 2.409 429 L HA 0.525 4.865 4.340 -0.000 0.000 0.262 429 L C -1.165 175.567 176.870 -0.230 0.000 0.992 429 L CA -1.006 53.785 54.840 -0.082 0.000 0.817 429 L CB 2.841 44.887 42.059 -0.022 0.000 1.350 429 L HN 0.261 nan 8.230 nan 0.000 0.411 430 L N 1.439 122.364 121.223 -0.497 0.000 2.493 430 L HA 0.987 5.327 4.340 -0.000 0.000 0.265 430 L C -0.422 175.886 176.870 -0.937 0.000 0.954 430 L CA 0.371 54.905 54.840 -0.511 0.000 0.844 430 L CB 2.085 43.944 42.059 -0.334 0.000 1.302 430 L HN 0.784 nan 8.230 nan 0.000 0.405 431 G N 2.464 110.875 108.800 -0.649 0.000 2.326 431 G HA2 0.102 4.062 3.960 -0.000 0.000 0.413 431 G HA3 0.102 4.062 3.960 -0.000 0.000 0.413 431 G C -1.778 173.045 174.900 -0.128 0.000 1.444 431 G CA -0.917 43.889 45.100 -0.491 0.000 1.002 431 G HN 0.635 nan 8.290 nan 0.000 0.649 432 D N 0.051 120.512 120.400 0.102 0.000 2.525 432 D HA 0.399 5.039 4.640 -0.000 0.000 0.235 432 D C 1.586 178.024 176.300 0.230 0.000 1.137 432 D CA 2.286 56.371 54.000 0.141 0.000 0.868 432 D CB 0.888 41.781 40.800 0.156 0.000 1.180 432 D HN 1.927 nan 8.370 nan 0.000 0.465 433 G N 1.481 110.371 108.800 0.150 0.000 2.253 433 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.251 433 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.251 433 G C 1.293 176.287 174.900 0.157 0.000 0.998 433 G CA 0.869 46.062 45.100 0.156 0.000 0.621 433 G HN 0.749 nan 8.290 nan 0.000 0.524 434 A N 1.546 124.443 122.820 0.129 0.000 1.915 434 A HA 0.004 4.324 4.320 -0.000 0.000 0.220 434 A C 0.628 178.226 177.584 0.025 0.000 1.198 434 A CA 2.906 54.975 52.037 0.054 0.000 0.647 434 A CB -1.333 17.599 19.000 -0.113 0.000 0.825 434 A HN 0.510 nan 8.150 nan 0.000 0.456 435 P HA -0.088 nan 4.420 nan 0.000 0.219 435 P C 1.238 178.581 177.300 0.071 0.000 1.150 435 P CA 1.072 64.160 63.100 -0.019 0.000 0.814 435 P CB 0.028 31.704 31.700 -0.040 0.000 0.787 436 E N -0.370 119.886 120.200 0.094 0.000 2.076 436 E HA -0.041 4.309 4.350 -0.000 0.000 0.190 436 E C 2.121 178.766 176.600 0.074 0.000 0.979 436 E CA 0.830 57.282 56.400 0.087 0.000 0.807 436 E CB -0.720 29.028 29.700 0.081 0.000 0.761 436 E HN 0.317 nan 8.360 nan 0.000 0.454 437 I N 0.801 121.423 120.570 0.087 0.000 2.264 437 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 437 I C 2.353 178.520 176.117 0.083 0.000 1.111 437 I CA 0.819 62.173 61.300 0.091 0.000 1.382 437 I CB -0.155 37.926 38.000 0.135 0.000 1.060 437 I HN 0.032 nan 8.210 nan 0.000 0.418 438 I N 0.315 120.929 120.570 0.073 0.000 3.419 438 I HA -0.156 4.014 4.170 -0.000 0.000 0.286 438 I C 2.246 178.398 176.117 0.059 0.000 1.268 438 I CA 0.893 62.231 61.300 0.062 0.000 1.414 438 I CB -0.265 37.761 38.000 0.043 0.000 1.074 438 I HN 0.130 nan 8.210 nan 0.000 0.457 439 Q N 1.383 121.218 119.800 0.059 0.000 2.030 439 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 439 Q C 2.208 178.236 176.000 0.047 0.000 0.986 439 Q CA 2.615 58.450 55.803 0.052 0.000 0.843 439 Q CB -0.540 28.228 28.738 0.050 0.000 0.904 439 Q HN 0.508 nan 8.270 nan 0.000 0.420 440 A N -0.577 122.271 122.820 0.046 0.000 1.969 440 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 440 A C 2.270 179.885 177.584 0.052 0.000 1.169 440 A CA 1.268 53.326 52.037 0.035 0.000 0.635 440 A CB -0.667 18.347 19.000 0.023 0.000 0.810 440 A HN 0.278 nan 8.150 nan 0.000 0.445 441 V N 0.168 120.134 119.914 0.088 0.000 2.380 441 V HA -0.263 3.857 4.120 -0.000 0.000 0.251 441 V C 2.797 178.948 176.094 0.095 0.000 1.063 441 V CA 1.993 64.376 62.300 0.139 0.000 1.055 441 V CB -1.507 30.400 31.823 0.139 0.000 0.657 441 V HN 0.611 nan 8.190 nan 0.000 0.455 442 G N -0.184 108.652 108.800 0.059 0.000 2.442 442 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.219 442 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.219 442 G C 1.612 176.534 174.900 0.037 0.000 1.141 442 G CA 1.315 46.440 45.100 0.043 0.000 0.763 442 G HN 0.435 nan 8.290 nan 0.000 0.554 443 V N 0.446 120.378 119.914 0.031 0.000 2.358 443 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 443 V C 3.023 179.126 176.094 0.014 0.000 1.047 443 V CA 1.598 63.908 62.300 0.016 0.000 1.035 443 V CB -0.855 30.971 31.823 0.004 0.000 0.658 443 V HN 0.490 nan 8.190 nan 0.000 0.452 444 C N -0.146 119.168 119.300 0.022 0.000 2.391 444 C HA -0.188 4.272 4.460 -0.000 0.000 0.276 444 C C 2.576 177.599 174.990 0.055 0.000 1.217 444 C CA 0.960 59.990 59.018 0.020 0.000 1.766 444 C CB -1.181 26.605 27.740 0.075 0.000 2.046 444 C HN 0.487 nan 8.230 nan 0.000 0.475 445 L N 0.510 121.776 121.223 0.072 0.000 2.291 445 L HA -0.006 4.334 4.340 -0.000 0.000 0.214 445 L C 2.548 179.440 176.870 0.038 0.000 1.120 445 L CA 1.509 56.384 54.840 0.059 0.000 0.799 445 L CB -0.679 41.409 42.059 0.048 0.000 0.925 445 L HN 0.311 nan 8.230 nan 0.000 0.446 446 R N -0.830 119.686 120.500 0.028 0.000 2.236 446 R HA 0.073 4.413 4.340 -0.000 0.000 0.208 446 R C 0.992 177.301 176.300 0.015 0.000 1.036 446 R CA 0.625 56.736 56.100 0.019 0.000 1.001 446 R CB -0.068 30.240 30.300 0.013 0.000 0.896 446 R HN 0.319 nan 8.270 nan 0.000 0.464 447 L N 0.806 122.036 121.223 0.012 0.000 2.965 447 L HA 0.179 4.519 4.340 -0.000 0.000 0.254 447 L C -0.091 176.783 176.870 0.006 0.000 1.220 447 L CA -0.327 54.514 54.840 0.002 0.000 1.023 447 L CB -0.135 41.915 42.059 -0.015 0.000 1.355 447 L HN 0.139 nan 8.230 nan 0.000 0.545 448 N N 1.119 119.831 118.700 0.019 0.000 2.754 448 N HA -0.198 4.542 4.740 -0.000 0.000 0.248 448 N C 0.168 175.693 175.510 0.026 0.000 1.093 448 N CA 0.675 53.738 53.050 0.023 0.000 0.699 448 N CB -0.469 38.028 38.487 0.017 0.000 1.016 448 N HN 0.453 nan 8.380 nan 0.000 0.552 449 A N 0.431 123.277 122.820 0.044 0.000 2.511 449 A HA 0.323 4.643 4.320 -0.000 0.000 0.242 449 A C 0.638 178.284 177.584 0.104 0.000 1.069 449 A CA 0.330 52.408 52.037 0.069 0.000 0.763 449 A CB 0.383 19.461 19.000 0.130 0.000 1.001 449 A HN 0.348 nan 8.150 nan 0.000 0.498 450 K N 1.784 122.241 120.400 0.094 0.000 2.211 450 K HA 0.336 4.656 4.320 -0.000 0.000 0.237 450 K C 0.815 177.513 176.600 0.163 0.000 1.002 450 K CA -0.894 55.446 56.287 0.089 0.000 0.885 450 K CB 1.169 33.695 32.500 0.042 0.000 1.136 450 K HN 0.498 nan 8.250 nan 0.000 0.448 451 I N 1.970 122.578 120.570 0.062 0.000 2.208 451 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 451 I C 2.262 178.430 176.117 0.085 0.000 1.097 451 I CA 1.938 63.229 61.300 -0.014 0.000 1.363 451 I CB -0.405 37.437 38.000 -0.264 0.000 1.051 451 I HN 0.787 nan 8.210 nan 0.000 0.413 452 S N -0.608 115.136 115.700 0.073 0.000 2.447 452 S HA -0.173 4.297 4.470 -0.000 0.000 0.233 452 S C 1.726 176.394 174.600 0.114 0.000 1.006 452 S CA 1.245 59.512 58.200 0.111 0.000 0.957 452 S CB -0.715 62.527 63.200 0.070 0.000 0.773 452 S HN 0.522 nan 8.310 nan 0.000 0.507 453 D N 0.555 121.001 120.400 0.076 0.000 2.178 453 D HA 0.013 4.653 4.640 -0.000 0.000 0.202 453 D C 1.381 177.619 176.300 -0.104 0.000 0.974 453 D CA 0.957 54.940 54.000 -0.029 0.000 0.841 453 D CB -0.264 40.478 40.800 -0.096 0.000 0.953 453 D HN 0.497 nan 8.370 nan 0.000 0.478 454 F N 0.039 119.976 119.950 -0.021 0.000 2.149 454 F HA -0.127 4.400 4.527 -0.000 0.000 0.294 454 F C 2.399 178.187 175.800 -0.020 0.000 1.095 454 F CA 0.576 58.557 58.000 -0.031 0.000 1.276 454 F CB -0.639 38.332 39.000 -0.049 0.000 1.023 454 F HN -0.079 nan 8.300 nan 0.000 0.480 455 Y N 1.309 121.669 120.300 0.100 0.000 2.207 455 Y HA -0.243 4.307 4.550 -0.000 0.000 0.287 455 Y C 2.047 177.956 175.900 0.016 0.000 1.156 455 Y CA 1.668 59.790 58.100 0.036 0.000 1.182 455 Y CB -0.529 37.932 38.460 0.002 0.000 0.979 455 Y HN -0.032 nan 8.280 nan 0.000 0.521 456 N N -0.603 118.093 118.700 -0.006 0.000 2.446 456 N HA -0.027 4.713 4.740 -0.000 0.000 0.179 456 N C 0.125 175.563 175.510 -0.119 0.000 1.054 456 N CA 0.877 53.886 53.050 -0.068 0.000 0.905 456 N CB -0.316 38.190 38.487 0.032 0.000 0.973 456 N HN 0.175 nan 8.380 nan 0.000 0.448 457 T N 1.706 116.187 114.554 -0.120 0.000 2.901 457 T HA 0.225 4.575 4.350 -0.000 0.000 0.301 457 T C 0.871 175.491 174.700 -0.133 0.000 1.012 457 T CA -0.166 61.861 62.100 -0.121 0.000 1.135 457 T CB 1.094 69.881 68.868 -0.136 0.000 0.936 457 T HN -0.018 nan 8.240 nan 0.000 0.539 458 I N 2.656 123.162 120.570 -0.107 0.000 2.441 458 I HA 0.264 4.434 4.170 -0.000 0.000 0.287 458 I C 1.477 177.549 176.117 -0.075 0.000 1.049 458 I CA -0.369 60.870 61.300 -0.101 0.000 1.381 458 I CB 0.574 38.528 38.000 -0.077 0.000 1.409 458 I HN 0.699 nan 8.210 nan 0.000 0.523 459 G N 5.501 114.258 108.800 -0.073 0.000 2.664 459 G HA2 0.312 4.272 3.960 -0.000 0.000 0.242 459 G HA3 0.312 4.272 3.960 -0.000 0.000 0.242 459 G C -0.350 174.549 174.900 -0.002 0.000 1.225 459 G CA -0.370 44.711 45.100 -0.031 0.000 0.849 459 G HN 0.400 nan 8.290 nan 0.000 0.581 460 V N 1.212 121.137 119.914 0.018 0.000 2.398 460 V HA 0.415 4.535 4.120 -0.000 0.000 0.286 460 V C -0.391 175.751 176.094 0.081 0.000 1.026 460 V CA -0.572 61.747 62.300 0.032 0.000 0.868 460 V CB 1.289 33.113 31.823 0.003 0.000 0.982 460 V HN 0.911 nan 8.190 nan 0.000 0.443 461 H N 5.183 124.235 119.070 -0.031 0.000 2.667 461 H HA 0.728 5.284 4.556 -0.000 0.000 0.353 461 H C -2.734 172.581 175.328 -0.022 0.000 1.072 461 H CA -1.548 54.485 56.048 -0.026 0.000 1.214 461 H CB 2.159 31.910 29.762 -0.019 0.000 1.600 461 H HN 0.541 nan 8.280 nan 0.000 0.527 462 P HA 0.339 nan 4.420 nan 0.000 0.301 462 P C -1.246 175.925 177.300 -0.216 0.000 1.348 462 P CA -0.607 62.168 63.100 -0.543 0.000 0.826 462 P CB 1.547 32.915 31.700 -0.554 0.000 0.945 463 T N -2.134 112.341 114.554 -0.132 0.000 2.865 463 T HA 0.370 4.720 4.350 -0.000 0.000 0.294 463 T C 0.821 175.393 174.700 -0.213 0.000 1.119 463 T CA -0.564 61.450 62.100 -0.144 0.000 1.007 463 T CB 1.289 70.097 68.868 -0.101 0.000 1.225 463 T HN -0.028 nan 8.240 nan 0.000 0.515 464 S N 0.294 115.774 115.700 -0.367 0.000 2.371 464 S HA 0.044 4.514 4.470 -0.000 0.000 0.224 464 S C 2.507 176.781 174.600 -0.545 0.000 1.029 464 S CA 1.030 58.785 58.200 -0.743 0.000 0.978 464 S CB -0.906 61.421 63.200 -1.455 0.000 0.833 464 S HN 0.923 nan 8.310 nan 0.000 0.466 465 A N 2.298 124.936 122.820 -0.302 0.000 1.986 465 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 465 A C 1.932 179.488 177.584 -0.047 0.000 1.171 465 A CA 1.853 53.824 52.037 -0.110 0.000 0.640 465 A CB -0.767 18.213 19.000 -0.033 0.000 0.811 465 A HN 0.785 nan 8.150 nan 0.000 0.451 466 E N -0.697 119.473 120.200 -0.048 0.000 2.401 466 E HA -0.207 4.143 4.350 -0.000 0.000 0.199 466 E C 1.251 177.867 176.600 0.027 0.000 1.023 466 E CA 0.963 57.367 56.400 0.006 0.000 0.859 466 E CB -0.210 29.511 29.700 0.034 0.000 0.780 466 E HN 0.450 nan 8.360 nan 0.000 0.523 467 E N 1.169 121.374 120.200 0.009 0.000 2.209 467 E HA -0.102 4.248 4.350 -0.000 0.000 0.196 467 E C 2.003 178.652 176.600 0.082 0.000 0.993 467 E CA 0.636 57.075 56.400 0.066 0.000 0.819 467 E CB -0.158 29.577 29.700 0.057 0.000 0.745 467 E HN 0.449 nan 8.360 nan 0.000 0.477 468 L N -0.828 120.438 121.223 0.071 0.000 2.201 468 L HA -0.135 4.205 4.340 -0.000 0.000 0.212 468 L C 1.427 178.378 176.870 0.135 0.000 1.105 468 L CA 0.641 55.529 54.840 0.081 0.000 0.775 468 L CB 0.055 42.193 42.059 0.131 0.000 0.913 468 L HN 0.114 nan 8.230 nan 0.000 0.440 469 C N -1.375 117.993 119.300 0.112 0.000 2.760 469 C HA 0.227 4.687 4.460 -0.000 0.000 0.293 469 C C 1.678 176.655 174.990 -0.022 0.000 1.383 469 C CA -0.286 58.776 59.018 0.073 0.000 1.771 469 C CB -0.613 27.137 27.740 0.018 0.000 2.353 469 C HN 0.310 nan 8.230 nan 0.000 0.578 470 S N 0.045 115.790 115.700 0.075 0.000 2.780 470 S HA 0.327 4.797 4.470 -0.000 0.000 0.248 470 S C 0.168 174.948 174.600 0.300 0.000 1.036 470 S CA -0.091 58.178 58.200 0.115 0.000 1.061 470 S CB 0.111 63.362 63.200 0.084 0.000 1.037 470 S HN 0.527 nan 8.310 nan 0.000 0.584 471 M N 1.252 121.038 119.600 0.311 0.000 2.268 471 M HA 0.493 4.973 4.480 -0.000 0.000 0.344 471 M C 0.897 177.309 176.300 0.187 0.000 1.106 471 M CA -0.260 55.191 55.300 0.251 0.000 1.010 471 M CB 2.129 34.835 32.600 0.175 0.000 1.649 471 M HN 0.029 nan 8.290 nan 0.000 0.443 472 R N 0.437 120.994 120.500 0.095 0.000 2.646 472 R HA 0.208 4.548 4.340 -0.000 0.000 0.226 472 R C -0.545 175.847 176.300 0.153 0.000 0.928 472 R CA 0.477 56.459 56.100 -0.196 0.000 1.010 472 R CB 1.075 31.000 30.300 -0.624 0.000 1.516 472 R HN 0.674 nan 8.270 nan 0.000 0.621 473 T N 3.548 118.223 114.554 0.203 0.000 2.791 473 T HA 0.407 4.757 4.350 -0.000 0.000 0.288 473 T C -2.710 171.844 174.700 -0.243 0.000 0.999 473 T CA -1.375 60.757 62.100 0.053 0.000 0.952 473 T CB 1.993 70.858 68.868 -0.005 0.000 0.938 473 T HN -0.002 nan 8.240 nan 0.000 0.444 474 P HA 0.065 nan 4.420 nan 0.000 0.266 474 P C 0.430 177.302 177.300 -0.713 0.000 1.186 474 P CA 0.180 62.536 63.100 -1.239 0.000 0.767 474 P CB 0.520 31.338 31.700 -1.470 0.000 0.820 475 S N 0.715 116.005 115.700 -0.683 0.000 2.421 475 S HA 0.088 4.558 4.470 -0.000 0.000 0.224 475 S C 0.263 174.707 174.600 -0.259 0.000 1.035 475 S CA 0.771 58.761 58.200 -0.351 0.000 0.953 475 S CB -0.425 62.638 63.200 -0.227 0.000 0.810 475 S HN 0.686 nan 8.310 nan 0.000 0.497 476 Y N -2.114 117.887 120.300 -0.499 0.000 2.914 476 Y HA 0.717 5.267 4.550 -0.000 0.000 0.327 476 Y C -1.595 173.889 175.900 -0.693 0.000 1.440 476 Y CA -2.148 55.671 58.100 -0.468 0.000 1.086 476 Y CB 0.590 38.891 38.460 -0.264 0.000 1.544 476 Y HN -0.069 nan 8.280 nan 0.000 0.442 477 Y N -1.137 119.174 120.300 0.019 0.000 2.615 477 Y HA 0.658 5.208 4.550 -0.000 0.000 0.341 477 Y C -1.615 174.244 175.900 -0.069 0.000 1.089 477 Y CA -1.517 56.562 58.100 -0.035 0.000 1.049 477 Y CB 2.173 40.575 38.460 -0.095 0.000 1.296 477 Y HN 0.558 nan 8.280 nan 0.000 0.470 478 Y N 0.436 120.890 120.300 0.257 0.000 2.350 478 Y HA 0.669 5.219 4.550 -0.000 0.000 0.338 478 Y C -0.857 175.132 175.900 0.150 0.000 0.961 478 Y CA -1.141 57.067 58.100 0.180 0.000 1.100 478 Y CB 1.984 40.537 38.460 0.155 0.000 1.179 478 Y HN 0.214 nan 8.280 nan 0.000 0.454 479 V N 3.749 123.802 119.914 0.232 0.000 2.483 479 V HA 0.277 4.397 4.120 -0.000 0.000 0.297 479 V C -0.272 175.902 176.094 0.132 0.000 1.027 479 V CA -1.816 60.574 62.300 0.150 0.000 0.855 479 V CB 1.494 33.356 31.823 0.066 0.000 0.995 479 V HN 0.802 nan 8.190 nan 0.000 0.424 480 K N 3.738 124.213 120.400 0.124 0.000 3.071 480 K HA -0.263 4.057 4.320 -0.000 0.000 0.262 480 K C 1.213 177.881 176.600 0.112 0.000 0.977 480 K CA 0.718 57.064 56.287 0.098 0.000 0.721 480 K CB -1.378 31.162 32.500 0.067 0.000 1.293 480 K HN 1.581 nan 8.250 nan 0.000 0.475 481 G N 0.221 109.117 108.800 0.160 0.000 2.245 481 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.264 481 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.264 481 G C -0.079 174.980 174.900 0.264 0.000 0.985 481 G CA 0.621 45.830 45.100 0.183 0.000 0.625 481 G HN 0.570 nan 8.290 nan 0.000 0.536 482 E N 1.071 121.390 120.200 0.198 0.000 2.105 482 E HA 0.396 4.746 4.350 -0.000 0.000 0.285 482 E C 0.591 177.233 176.600 0.069 0.000 1.055 482 E CA -0.642 55.837 56.400 0.131 0.000 0.843 482 E CB 0.195 29.933 29.700 0.064 0.000 1.067 482 E HN 0.336 nan 8.360 nan 0.000 0.398 483 K N 6.249 126.614 120.400 -0.059 0.000 2.436 483 K HA 0.060 4.380 4.320 -0.000 0.000 0.282 483 K C -0.412 176.035 176.600 -0.255 0.000 1.044 483 K CA 0.275 56.261 56.287 -0.501 0.000 1.028 483 K CB 0.218 32.352 32.500 -0.610 0.000 0.919 483 K HN 0.570 nan 8.250 nan 0.000 0.474 484 M N 1.681 121.168 119.600 -0.187 0.000 2.421 484 M HA 0.239 4.719 4.480 -0.000 0.000 0.287 484 M C 0.005 176.320 176.300 0.025 0.000 1.183 484 M CA -0.852 54.407 55.300 -0.069 0.000 0.916 484 M CB 2.000 34.585 32.600 -0.025 0.000 1.701 484 M HN 0.560 nan 8.290 nan 0.000 0.470 485 E N 1.587 121.795 120.200 0.014 0.000 2.031 485 E HA -0.012 4.338 4.350 -0.000 0.000 0.193 485 E C -0.011 176.683 176.600 0.158 0.000 0.994 485 E CA 1.415 57.853 56.400 0.063 0.000 0.800 485 E CB 0.553 30.261 29.700 0.013 0.000 0.752 485 E HN 0.461 nan 8.360 nan 0.000 0.447 486 K N 0.478 120.941 120.400 0.105 0.000 2.221 486 K HA 0.243 4.563 4.320 -0.000 0.000 0.243 486 K C -0.479 176.082 176.600 -0.064 0.000 0.968 486 K CA -0.976 55.363 56.287 0.086 0.000 0.846 486 K CB 1.140 33.655 32.500 0.025 0.000 1.141 486 K HN 0.012 nan 8.250 nan 0.000 0.434 487 L N 1.896 122.934 121.223 -0.308 0.000 2.485 487 L HA 0.205 4.545 4.340 -0.000 0.000 0.275 487 L C -0.943 175.824 176.870 -0.171 0.000 1.207 487 L CA -0.278 54.323 54.840 -0.398 0.000 0.855 487 L CB -0.994 40.760 42.059 -0.510 0.000 1.114 487 L HN 0.695 nan 8.230 nan 0.000 0.485 488 P HA 0.000 nan 4.420 nan 0.000 0.216 488 P CA 0.000 63.060 63.100 -0.067 0.000 0.800 488 P CB 0.000 31.674 31.700 -0.042 0.000 0.726