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 1e1q_1_C DATA FIRST_RESID 19 DATA SEQUENCE ADTSVDLEET GRVLSIGDGI ARVHGLRNVQ AEEMVEFSSG LKGMSLNLEP DATA SEQUENCE DNVGVVVFGN DKLIKEGDIV KRTGAIVDVP VGEELLGRVV DALGNAIDGK DATA SEQUENCE GPIGSKARRR VGLKAPGIIP RISVREPMQT GIKAVDSLVP IGRGQRELII DATA SEQUENCE GDRQTGKTSI AIDTIINQKR FNDGTDEKKK LYCIYVAIGQ KRSTVAQLVK DATA SEQUENCE RLTDADAMKY TIVVSATASD AAPLQYLAPY SGCSMGEYFR DNGKHALIIY DATA SEQUENCE DDLSKQAVAY RQMSLLLRRP PGREAYPGDV FYLHSRLLER AAKMNDAFGG DATA SEQUENCE GSLTALPVIE TQAGDVSAYI PTNVISITDG QIFLETELFY KGIRPAINVG DATA SEQUENCE LSVSRVGSAA QTRAMKQVAG TMKLELAQYR EVAAFAQFGS DLDAATQQLL DATA SEQUENCE SRGVRLTELL KQGQYSPMAI EEQVAVIYAG VRGYLDKLEP SKITKFENAF DATA SEQUENCE LSHVISQHQA LLGKIRTDGK ISEESDAKLK EIVTNFLAGF EA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 19 A HA 0.000 nan 4.320 nan 0.000 0.244 19 A C 0.000 177.586 177.584 0.004 0.000 1.274 19 A CA 0.000 52.039 52.037 0.003 0.000 0.836 19 A CB 0.000 19.002 19.000 0.003 0.000 0.831 20 D N 3.226 123.628 120.400 0.004 0.000 2.342 20 D HA 0.257 4.897 4.640 0.000 0.000 0.260 20 D C 1.353 177.655 176.300 0.004 0.000 1.278 20 D CA 1.156 55.159 54.000 0.004 0.000 0.910 20 D CB 0.861 41.664 40.800 0.005 0.000 1.079 20 D HN 0.587 nan 8.370 nan 0.000 0.496 21 T N -0.631 113.925 114.554 0.003 0.000 3.134 21 T HA 0.005 4.355 4.350 0.000 0.000 0.260 21 T C 1.566 176.267 174.700 0.002 0.000 1.027 21 T CA 0.160 62.262 62.100 0.003 0.000 0.913 21 T CB -0.150 68.719 68.868 0.002 0.000 1.046 21 T HN 0.192 nan 8.240 nan 0.000 0.553 22 S N 0.605 116.307 115.700 0.003 0.000 2.474 22 S HA 0.061 4.531 4.470 0.000 0.000 0.235 22 S C 0.867 175.468 174.600 0.001 0.000 0.997 22 S CA 0.020 58.221 58.200 0.001 0.000 0.949 22 S CB -0.384 62.818 63.200 0.003 0.000 0.766 22 S HN 0.351 nan 8.310 nan 0.000 0.517 23 V N 4.135 124.051 119.914 0.004 0.000 2.446 23 V HA 0.234 4.354 4.120 0.000 0.000 0.257 23 V C -0.419 175.679 176.094 0.006 0.000 1.036 23 V CA -0.895 61.408 62.300 0.005 0.000 1.196 23 V CB 0.003 31.832 31.823 0.010 0.000 1.446 23 V HN 0.557 nan 8.190 nan 0.000 0.558 24 D N 1.557 121.957 120.400 0.000 0.000 2.304 24 D HA 0.150 4.790 4.640 0.000 0.000 0.247 24 D C 0.880 177.176 176.300 -0.007 0.000 1.089 24 D CA -0.600 53.399 54.000 -0.001 0.000 0.910 24 D CB 2.514 43.311 40.800 -0.005 0.000 1.199 24 D HN 0.250 nan 8.370 nan 0.000 0.426 25 L N 0.673 121.892 121.223 -0.007 0.000 2.711 25 L HA -0.030 4.310 4.340 0.000 0.000 0.242 25 L C 1.696 178.534 176.870 -0.052 0.000 1.153 25 L CA 0.506 55.329 54.840 -0.029 0.000 0.898 25 L CB -0.435 41.608 42.059 -0.027 0.000 1.044 25 L HN 0.451 nan 8.230 nan 0.000 0.437 26 E N -0.436 119.742 120.200 -0.037 0.000 2.201 26 E HA -0.041 4.309 4.350 0.000 0.000 0.193 26 E C 1.403 177.980 176.600 -0.039 0.000 0.957 26 E CA 0.325 56.701 56.400 -0.039 0.000 0.858 26 E CB 0.433 30.116 29.700 -0.028 0.000 0.816 26 E HN 0.289 nan 8.360 nan 0.000 0.475 27 E N 0.288 120.468 120.200 -0.033 0.000 2.489 27 E HA 0.057 4.407 4.350 0.000 0.000 0.204 27 E C 0.367 176.942 176.600 -0.041 0.000 1.006 27 E CA 0.426 56.806 56.400 -0.033 0.000 0.936 27 E CB 1.241 30.927 29.700 -0.024 0.000 1.002 27 E HN 0.211 nan 8.360 nan 0.000 0.488 28 T N -2.605 111.925 114.554 -0.040 0.000 2.864 28 T HA 0.762 5.112 4.350 0.000 0.000 0.299 28 T C 0.147 174.823 174.700 -0.041 0.000 1.166 28 T CA -0.577 61.498 62.100 -0.042 0.000 1.007 28 T CB 2.511 71.364 68.868 -0.025 0.000 1.219 28 T HN -0.026 nan 8.240 nan 0.000 0.506 29 G N 0.275 109.051 108.800 -0.041 0.000 2.798 29 G HA2 0.734 4.694 3.960 0.000 0.000 0.286 29 G HA3 0.734 4.694 3.960 0.000 0.000 0.286 29 G C -1.639 173.278 174.900 0.029 0.000 1.389 29 G CA -1.186 43.907 45.100 -0.013 0.000 0.894 29 G HN 0.819 nan 8.290 nan 0.000 0.488 30 R N -0.690 119.863 120.500 0.088 0.000 2.575 30 R HA 0.497 4.837 4.340 0.000 0.000 0.293 30 R C -0.815 175.548 176.300 0.105 0.000 0.983 30 R CA -0.688 55.467 56.100 0.092 0.000 0.887 30 R CB 2.618 32.974 30.300 0.094 0.000 1.184 30 R HN 0.328 nan 8.270 nan 0.000 0.445 31 V N 5.457 125.433 119.914 0.105 0.000 2.450 31 V HA -0.042 4.078 4.120 0.000 0.000 0.281 31 V C 1.421 177.561 176.094 0.075 0.000 1.019 31 V CA 0.547 62.916 62.300 0.116 0.000 1.062 31 V CB 0.508 32.420 31.823 0.148 0.000 0.979 31 V HN 0.758 nan 8.190 nan 0.000 0.477 32 L N 4.096 125.362 121.223 0.072 0.000 2.131 32 L HA 0.086 4.426 4.340 0.000 0.000 0.206 32 L C 0.869 177.756 176.870 0.028 0.000 1.087 32 L CA 0.994 55.859 54.840 0.042 0.000 0.767 32 L CB 0.149 42.239 42.059 0.051 0.000 0.917 32 L HN 0.882 nan 8.230 nan 0.000 0.441 33 S N -1.262 114.460 115.700 0.036 0.000 2.558 33 S HA 0.571 5.041 4.470 0.000 0.000 0.277 33 S C -1.116 173.495 174.600 0.018 0.000 1.143 33 S CA -0.849 57.363 58.200 0.019 0.000 0.865 33 S CB 2.278 65.485 63.200 0.012 0.000 1.102 33 S HN -0.014 nan 8.310 nan 0.000 0.454 34 I N 0.633 121.203 120.570 -0.001 0.000 2.610 34 I HA 0.850 5.020 4.170 0.000 0.000 0.289 34 I C -0.494 175.604 176.117 -0.031 0.000 1.163 34 I CA 0.363 61.651 61.300 -0.020 0.000 1.044 34 I CB 1.550 39.526 38.000 -0.040 0.000 1.251 34 I HN 1.356 nan 8.210 nan 0.000 0.424 35 G N 4.668 113.446 108.800 -0.037 0.000 2.691 35 G HA2 0.403 4.363 3.960 0.000 0.000 0.298 35 G HA3 0.403 4.363 3.960 0.000 0.000 0.298 35 G C -1.168 173.708 174.900 -0.039 0.000 1.471 35 G CA -0.565 44.513 45.100 -0.036 0.000 0.912 35 G HN 0.649 nan 8.290 nan 0.000 0.553 36 D N 0.130 120.507 120.400 -0.039 0.000 2.701 36 D HA -0.200 4.440 4.640 0.000 0.000 0.235 36 D C 1.609 177.882 176.300 -0.044 0.000 1.155 36 D CA 2.668 56.645 54.000 -0.037 0.000 0.649 36 D CB -1.025 39.755 40.800 -0.034 0.000 1.050 36 D HN 2.196 nan 8.370 nan 0.000 0.425 37 G N -1.028 107.738 108.800 -0.057 0.000 2.143 37 G HA2 -0.293 3.667 3.960 0.000 0.000 0.248 37 G HA3 -0.293 3.667 3.960 0.000 0.000 0.248 37 G C 0.098 174.956 174.900 -0.069 0.000 0.991 37 G CA 0.300 45.358 45.100 -0.069 0.000 0.689 37 G HN 0.441 nan 8.290 nan 0.000 0.522 38 I N 0.639 121.177 120.570 -0.055 0.000 2.436 38 I HA 0.768 4.938 4.170 0.000 0.000 0.289 38 I C 0.318 176.427 176.117 -0.012 0.000 1.010 38 I CA -1.592 59.688 61.300 -0.034 0.000 1.098 38 I CB 1.373 39.353 38.000 -0.032 0.000 1.266 38 I HN 0.433 nan 8.210 nan 0.000 0.434 39 A N 7.081 129.922 122.820 0.034 0.000 2.331 39 A HA 0.786 5.106 4.320 0.000 0.000 0.320 39 A C -0.280 177.350 177.584 0.076 0.000 1.138 39 A CA -0.759 51.325 52.037 0.078 0.000 0.790 39 A CB 1.203 20.326 19.000 0.205 0.000 1.206 39 A HN 0.520 nan 8.150 nan 0.000 0.470 40 R N 2.062 122.598 120.500 0.060 0.000 2.230 40 R HA 0.371 4.711 4.340 0.000 0.000 0.337 40 R C -0.897 175.446 176.300 0.071 0.000 1.063 40 R CA -0.253 55.878 56.100 0.051 0.000 0.935 40 R CB 0.625 30.947 30.300 0.036 0.000 1.121 40 R HN 0.457 nan 8.270 nan 0.000 0.486 41 V N 3.691 123.642 119.914 0.062 0.000 2.407 41 V HA 0.136 4.256 4.120 0.000 0.000 0.278 41 V C 0.279 176.413 176.094 0.067 0.000 1.037 41 V CA -0.851 61.487 62.300 0.063 0.000 0.900 41 V CB 1.134 32.967 31.823 0.016 0.000 0.983 41 V HN 0.640 nan 8.190 nan 0.000 0.459 42 H N 3.419 122.491 119.070 0.002 0.000 2.527 42 H HA 0.660 5.216 4.556 0.000 0.000 0.321 42 H C 0.485 175.807 175.328 -0.010 0.000 1.087 42 H CA 1.196 57.242 56.048 -0.002 0.000 1.337 42 H CB 0.993 30.756 29.762 0.002 0.000 1.440 42 H HN 1.052 nan 8.280 nan 0.000 0.490 43 G N 3.017 111.478 108.800 -0.565 0.000 2.464 43 G HA2 -0.194 3.766 3.960 0.000 0.000 0.216 43 G HA3 -0.194 3.766 3.960 0.000 0.000 0.216 43 G C -0.240 174.551 174.900 -0.182 0.000 1.186 43 G CA -0.477 44.416 45.100 -0.344 0.000 1.010 43 G HN 1.212 nan 8.290 nan 0.000 0.585 44 L N -0.319 120.835 121.223 -0.114 0.000 3.597 44 L HA -0.194 4.146 4.340 0.000 0.000 0.440 44 L C 2.231 179.053 176.870 -0.080 0.000 1.277 44 L CA 0.727 55.516 54.840 -0.086 0.000 0.852 44 L CB -0.709 41.299 42.059 -0.084 0.000 1.708 44 L HN 0.686 nan 8.230 nan 0.000 0.885 45 R N 0.188 120.639 120.500 -0.081 0.000 2.159 45 R HA -0.082 4.258 4.340 0.000 0.000 0.237 45 R C 1.252 177.524 176.300 -0.047 0.000 1.131 45 R CA 1.447 57.506 56.100 -0.067 0.000 0.982 45 R CB -0.150 30.111 30.300 -0.065 0.000 0.868 45 R HN 0.593 nan 8.270 nan 0.000 0.453 46 N N -0.031 118.644 118.700 -0.041 0.000 2.236 46 N HA 0.019 4.760 4.740 0.000 0.000 0.196 46 N C 0.078 175.570 175.510 -0.029 0.000 1.114 46 N CA -0.003 53.029 53.050 -0.030 0.000 0.859 46 N CB 0.409 38.881 38.487 -0.026 0.000 0.982 46 N HN -0.037 nan 8.380 nan 0.000 0.493 47 V N -0.266 119.627 119.914 -0.036 0.000 2.872 47 V HA 0.056 4.176 4.120 0.000 0.000 0.307 47 V C 0.463 176.544 176.094 -0.021 0.000 1.072 47 V CA -0.451 61.830 62.300 -0.032 0.000 1.148 47 V CB 0.316 32.116 31.823 -0.038 0.000 0.954 47 V HN 0.102 nan 8.190 nan 0.000 0.490 48 Q N 1.943 121.735 119.800 -0.013 0.000 2.226 48 Q HA 0.706 5.046 4.340 0.000 0.000 0.256 48 Q C 0.078 176.078 176.000 0.001 0.000 0.962 48 Q CA -0.609 55.191 55.803 -0.004 0.000 0.887 48 Q CB 1.790 30.529 28.738 0.000 0.000 1.282 48 Q HN 1.085 nan 8.270 nan 0.000 0.449 49 A N 1.581 124.405 122.820 0.006 0.000 2.511 49 A HA 0.065 4.385 4.320 0.000 0.000 0.242 49 A C 0.130 177.726 177.584 0.022 0.000 1.069 49 A CA 0.247 52.292 52.037 0.014 0.000 0.763 49 A CB -0.187 18.824 19.000 0.019 0.000 1.001 49 A HN 0.960 nan 8.150 nan 0.000 0.498 50 E N -0.804 119.414 120.200 0.030 0.000 3.413 50 E HA -0.206 4.144 4.350 0.000 0.000 0.300 50 E C 0.117 176.746 176.600 0.049 0.000 0.891 50 E CA 1.185 57.613 56.400 0.046 0.000 1.050 50 E CB -1.472 28.252 29.700 0.040 0.000 1.534 50 E HN 0.908 nan 8.360 nan 0.000 0.436 51 E N 0.796 121.015 120.200 0.033 0.000 2.331 51 E HA 0.333 4.683 4.350 0.000 0.000 0.272 51 E C -0.119 176.506 176.600 0.041 0.000 1.036 51 E CA -0.419 55.999 56.400 0.030 0.000 0.864 51 E CB 0.767 30.472 29.700 0.007 0.000 1.035 51 E HN 0.122 nan 8.360 nan 0.000 0.408 52 M N 5.563 125.198 119.600 0.059 0.000 2.185 52 M HA 0.207 4.687 4.480 0.000 0.000 0.357 52 M C -1.053 175.261 176.300 0.022 0.000 1.260 52 M CA -0.338 55.012 55.300 0.083 0.000 1.124 52 M CB 0.785 33.452 32.600 0.112 0.000 1.600 52 M HN 0.350 nan 8.290 nan 0.000 0.467 53 V N 1.788 121.694 119.914 -0.014 0.000 3.103 53 V HA 0.752 4.872 4.120 0.000 0.000 0.318 53 V C -0.944 175.079 176.094 -0.118 0.000 1.114 53 V CA -0.807 61.428 62.300 -0.107 0.000 1.020 53 V CB 2.044 33.741 31.823 -0.210 0.000 1.085 53 V HN 0.878 nan 8.190 nan 0.000 0.446 54 E N 0.836 120.927 120.200 -0.181 0.000 2.248 54 E HA 0.577 4.927 4.350 0.000 0.000 0.267 54 E C -1.838 174.656 176.600 -0.177 0.000 0.877 54 E CA -0.375 55.973 56.400 -0.086 0.000 0.759 54 E CB 2.541 32.234 29.700 -0.011 0.000 1.182 54 E HN 0.611 nan 8.360 nan 0.000 0.418 55 F N 0.731 120.696 119.950 0.024 0.000 2.399 55 F HA 0.137 4.664 4.527 0.000 0.000 0.328 55 F C 1.749 177.560 175.800 0.019 0.000 1.084 55 F CA -0.251 57.759 58.000 0.018 0.000 1.053 55 F CB 1.587 40.596 39.000 0.014 0.000 1.209 55 F HN 0.461 nan 8.300 nan 0.000 0.502 56 S N 0.405 116.243 115.700 0.231 0.000 2.408 56 S HA -0.290 4.180 4.470 0.000 0.000 0.241 56 S C 1.891 176.558 174.600 0.112 0.000 1.080 56 S CA 2.204 60.482 58.200 0.130 0.000 1.109 56 S CB -0.625 62.642 63.200 0.112 0.000 0.966 56 S HN 0.690 nan 8.310 nan 0.000 0.449 57 S N 0.330 116.106 115.700 0.126 0.000 2.547 57 S HA 0.278 4.748 4.470 0.000 0.000 0.235 57 S C 1.766 176.419 174.600 0.088 0.000 0.980 57 S CA 0.732 58.984 58.200 0.086 0.000 0.941 57 S CB -0.290 62.945 63.200 0.058 0.000 0.763 57 S HN 0.915 nan 8.310 nan 0.000 0.532 58 G N 0.302 109.170 108.800 0.113 0.000 2.232 58 G HA2 -0.223 3.737 3.960 0.000 0.000 0.226 58 G HA3 -0.223 3.737 3.960 0.000 0.000 0.226 58 G C -0.036 174.941 174.900 0.128 0.000 0.996 58 G CA -0.110 45.048 45.100 0.097 0.000 0.626 58 G HN 0.392 nan 8.290 nan 0.000 0.509 59 L N 1.725 123.043 121.223 0.158 0.000 2.490 59 L HA 0.527 4.867 4.340 0.000 0.000 0.274 59 L C 0.764 177.823 176.870 0.315 0.000 1.201 59 L CA 0.577 55.531 54.840 0.191 0.000 0.869 59 L CB 0.546 42.674 42.059 0.116 0.000 1.123 59 L HN 0.307 nan 8.230 nan 0.000 0.484 60 K N 1.816 122.394 120.400 0.298 0.000 2.123 60 K HA 0.803 5.123 4.320 0.000 0.000 0.248 60 K C -0.205 176.602 176.600 0.346 0.000 0.969 60 K CA -0.498 55.983 56.287 0.323 0.000 0.882 60 K CB 1.598 34.286 32.500 0.315 0.000 1.080 60 K HN 0.797 nan 8.250 nan 0.000 0.441 61 G N 0.617 109.552 108.800 0.226 0.000 2.690 61 G HA2 0.560 4.520 3.960 0.000 0.000 0.291 61 G HA3 0.560 4.520 3.960 0.000 0.000 0.291 61 G C -1.805 173.045 174.900 -0.084 0.000 1.403 61 G CA -0.741 44.376 45.100 0.029 0.000 0.864 61 G HN 0.503 nan 8.290 nan 0.000 0.480 62 M N 1.162 120.619 119.600 -0.238 0.000 2.321 62 M HA 0.566 5.046 4.480 0.000 0.000 0.315 62 M C -0.280 175.990 176.300 -0.050 0.000 1.052 62 M CA -0.689 54.564 55.300 -0.077 0.000 0.936 62 M CB 2.033 34.621 32.600 -0.020 0.000 1.639 62 M HN 0.486 nan 8.290 nan 0.000 0.433 63 S N 4.933 120.625 115.700 -0.013 0.000 2.701 63 S HA 0.210 4.680 4.470 0.000 0.000 0.317 63 S C 0.631 175.232 174.600 0.002 0.000 1.149 63 S CA -0.621 57.570 58.200 -0.016 0.000 1.052 63 S CB -0.030 63.157 63.200 -0.021 0.000 1.257 63 S HN 0.781 nan 8.310 nan 0.000 0.532 64 L N 4.088 125.310 121.223 -0.002 0.000 2.221 64 L HA 0.395 4.735 4.340 0.000 0.000 0.202 64 L C 0.515 177.392 176.870 0.010 0.000 1.074 64 L CA 1.058 55.904 54.840 0.011 0.000 0.795 64 L CB -1.069 40.992 42.059 0.004 0.000 0.960 64 L HN 0.473 nan 8.230 nan 0.000 0.458 65 N N 0.260 118.960 118.700 0.000 0.000 2.469 65 N HA 0.325 5.065 4.740 0.000 0.000 0.253 65 N C -0.813 174.696 175.510 -0.002 0.000 0.970 65 N CA -0.005 53.045 53.050 0.001 0.000 0.940 65 N CB 0.906 39.391 38.487 -0.003 0.000 1.128 65 N HN -0.033 nan 8.380 nan 0.000 0.503 66 L N 2.512 123.734 121.223 -0.001 0.000 2.302 66 L HA 0.337 4.677 4.340 0.000 0.000 0.285 66 L C 0.455 177.321 176.870 -0.005 0.000 1.090 66 L CA -0.253 54.583 54.840 -0.007 0.000 0.866 66 L CB 0.115 42.170 42.059 -0.007 0.000 1.244 66 L HN 0.382 nan 8.230 nan 0.000 0.435 67 E N 3.483 123.679 120.200 -0.006 0.000 2.254 67 E HA 0.264 4.614 4.350 0.000 0.000 0.261 67 E C -1.584 175.011 176.600 -0.008 0.000 1.051 67 E CA -1.836 54.562 56.400 -0.004 0.000 0.902 67 E CB 1.085 30.786 29.700 0.001 0.000 1.168 67 E HN 0.253 nan 8.360 nan 0.000 0.423 68 P HA -0.177 nan 4.420 nan 0.000 0.216 68 P C 0.433 177.728 177.300 -0.007 0.000 1.150 68 P CA 1.431 64.527 63.100 -0.006 0.000 0.837 68 P CB 0.149 31.849 31.700 -0.000 0.000 0.786 69 D N -2.111 118.291 120.400 0.004 0.000 2.469 69 D HA 0.059 4.699 4.640 0.000 0.000 0.215 69 D C 0.021 176.339 176.300 0.030 0.000 1.154 69 D CA -0.172 53.842 54.000 0.023 0.000 0.832 69 D CB -0.310 40.518 40.800 0.047 0.000 1.008 69 D HN 0.327 nan 8.370 nan 0.000 0.506 70 N N -1.482 117.221 118.700 0.006 0.000 3.046 70 N HA 0.386 5.126 4.740 0.000 0.000 0.243 70 N C -2.070 173.437 175.510 -0.006 0.000 1.452 70 N CA -0.925 52.132 53.050 0.012 0.000 0.882 70 N CB 1.767 40.276 38.487 0.036 0.000 1.425 70 N HN -0.200 nan 8.380 nan 0.000 0.517 71 V N -0.032 119.879 119.914 -0.004 0.000 2.483 71 V HA 0.759 4.879 4.120 0.000 0.000 0.297 71 V C 0.312 176.407 176.094 0.002 0.000 1.027 71 V CA -0.600 61.694 62.300 -0.011 0.000 0.855 71 V CB 1.312 33.119 31.823 -0.028 0.000 0.995 71 V HN 0.904 nan 8.190 nan 0.000 0.424 72 G N 3.913 112.713 108.800 -0.000 0.000 2.338 72 G HA2 0.528 4.488 3.960 0.000 0.000 0.295 72 G HA3 0.528 4.488 3.960 0.000 0.000 0.295 72 G C -0.669 174.230 174.900 -0.001 0.000 1.132 72 G CA -0.187 44.915 45.100 0.003 0.000 0.922 72 G HN 0.515 nan 8.290 nan 0.000 0.427 73 V N 3.016 122.943 119.914 0.022 0.000 2.547 73 V HA 0.372 4.492 4.120 0.000 0.000 0.299 73 V C 0.006 176.102 176.094 0.003 0.000 1.040 73 V CA -0.676 61.636 62.300 0.021 0.000 0.913 73 V CB 1.983 33.856 31.823 0.083 0.000 0.992 73 V HN 0.485 nan 8.190 nan 0.000 0.449 74 V N 5.126 124.993 119.914 -0.078 0.000 2.370 74 V HA 0.319 4.439 4.120 0.000 0.000 0.279 74 V C -0.003 175.939 176.094 -0.254 0.000 1.029 74 V CA -0.585 61.624 62.300 -0.151 0.000 0.870 74 V CB 1.755 33.469 31.823 -0.182 0.000 0.984 74 V HN 0.617 nan 8.190 nan 0.000 0.451 75 V N 5.975 125.786 119.914 -0.172 0.000 2.455 75 V HA 0.191 4.311 4.120 0.000 0.000 0.273 75 V C 0.336 176.345 176.094 -0.143 0.000 1.045 75 V CA -0.138 62.073 62.300 -0.147 0.000 0.976 75 V CB 0.451 32.178 31.823 -0.161 0.000 0.993 75 V HN 0.714 nan 8.190 nan 0.000 0.475 76 F N 4.811 124.825 119.950 0.106 0.000 2.727 76 F HA 0.525 5.052 4.527 0.000 0.000 0.349 76 F C 1.205 177.041 175.800 0.060 0.000 1.172 76 F CA 0.374 58.428 58.000 0.090 0.000 1.355 76 F CB -0.504 38.556 39.000 0.100 0.000 1.546 76 F HN 0.711 nan 8.300 nan 0.000 0.596 77 G N 0.010 108.901 108.800 0.153 0.000 2.336 77 G HA2 0.009 3.969 3.960 0.000 0.000 0.286 77 G HA3 0.009 3.969 3.960 0.000 0.000 0.286 77 G C -1.368 173.547 174.900 0.024 0.000 1.269 77 G CA -1.135 44.022 45.100 0.095 0.000 0.873 77 G HN -0.026 nan 8.290 nan 0.000 0.494 78 N N 1.958 120.662 118.700 0.007 0.000 2.406 78 N HA 0.109 4.849 4.740 0.000 0.000 0.269 78 N C 1.097 176.567 175.510 -0.068 0.000 1.210 78 N CA 0.377 53.415 53.050 -0.021 0.000 0.966 78 N CB 0.398 38.880 38.487 -0.008 0.000 1.293 78 N HN 0.543 nan 8.380 nan 0.000 0.491 79 D N 2.653 122.994 120.400 -0.098 0.000 2.378 79 D HA -0.179 4.462 4.640 0.000 0.000 0.227 79 D C 1.175 177.397 176.300 -0.130 0.000 1.012 79 D CA 0.255 54.156 54.000 -0.165 0.000 0.905 79 D CB 0.172 40.867 40.800 -0.174 0.000 0.895 79 D HN 0.642 nan 8.370 nan 0.000 0.532 80 K N 1.509 121.860 120.400 -0.082 0.000 2.211 80 K HA -0.146 4.174 4.320 0.000 0.000 0.204 80 K C 1.799 178.362 176.600 -0.063 0.000 1.047 80 K CA 0.651 56.902 56.287 -0.060 0.000 0.935 80 K CB -0.264 32.213 32.500 -0.037 0.000 0.728 80 K HN 0.230 nan 8.250 nan 0.000 0.452 81 L N 1.306 122.483 121.223 -0.076 0.000 2.599 81 L HA 0.226 4.566 4.340 0.000 0.000 0.230 81 L C 0.703 177.526 176.870 -0.078 0.000 1.141 81 L CA -0.103 54.700 54.840 -0.061 0.000 0.877 81 L CB -0.008 42.023 42.059 -0.047 0.000 1.009 81 L HN 0.110 nan 8.230 nan 0.000 0.447 82 I N 0.430 120.921 120.570 -0.131 0.000 2.353 82 I HA 0.230 4.400 4.170 0.000 0.000 0.293 82 I C -0.144 175.935 176.117 -0.064 0.000 0.992 82 I CA -0.217 61.001 61.300 -0.136 0.000 1.268 82 I CB 1.209 39.014 38.000 -0.325 0.000 1.387 82 I HN 0.045 nan 8.210 nan 0.000 0.478 83 K N 4.413 124.805 120.400 -0.013 0.000 2.444 83 K HA 0.378 4.698 4.320 0.000 0.000 0.252 83 K C -0.781 175.832 176.600 0.023 0.000 0.993 83 K CA -1.002 55.284 56.287 -0.001 0.000 0.847 83 K CB 1.911 34.412 32.500 0.002 0.000 1.340 83 K HN 0.467 nan 8.250 nan 0.000 0.446 84 E N 0.255 120.465 120.200 0.016 0.000 2.534 84 E HA -0.087 4.263 4.350 0.000 0.000 0.264 84 E C 0.600 177.217 176.600 0.029 0.000 0.981 84 E CA 1.641 58.055 56.400 0.023 0.000 0.948 84 E CB 0.132 29.837 29.700 0.009 0.000 0.934 84 E HN 0.770 nan 8.360 nan 0.000 0.459 85 G N 3.753 112.575 108.800 0.037 0.000 2.225 85 G HA2 -0.248 3.712 3.960 0.000 0.000 0.254 85 G HA3 -0.248 3.712 3.960 0.000 0.000 0.254 85 G C -0.160 174.772 174.900 0.053 0.000 0.988 85 G CA 0.253 45.374 45.100 0.035 0.000 0.625 85 G HN 0.660 nan 8.290 nan 0.000 0.527 86 D N 0.530 120.976 120.400 0.077 0.000 2.423 86 D HA 0.424 5.064 4.640 0.000 0.000 0.238 86 D C 1.076 177.433 176.300 0.095 0.000 1.142 86 D CA 0.122 54.182 54.000 0.100 0.000 0.884 86 D CB 0.650 41.539 40.800 0.148 0.000 1.199 86 D HN 0.378 nan 8.370 nan 0.000 0.438 87 I N 1.070 121.683 120.570 0.072 0.000 2.472 87 I HA 0.161 4.331 4.170 0.000 0.000 0.290 87 I C -0.061 176.056 176.117 -0.001 0.000 1.016 87 I CA -0.437 60.883 61.300 0.034 0.000 1.348 87 I CB 1.065 39.078 38.000 0.022 0.000 1.417 87 I HN -0.053 nan 8.210 nan 0.000 0.521 88 V N 5.935 125.805 119.914 -0.074 0.000 2.604 88 V HA 0.456 4.576 4.120 0.000 0.000 0.305 88 V C -0.208 175.789 176.094 -0.162 0.000 1.043 88 V CA -0.986 61.175 62.300 -0.232 0.000 0.888 88 V CB 1.708 33.312 31.823 -0.364 0.000 0.995 88 V HN 0.600 nan 8.190 nan 0.000 0.429 89 K N 3.377 123.677 120.400 -0.167 0.000 2.270 89 K HA 0.604 4.924 4.320 0.000 0.000 0.255 89 K C -0.473 176.066 176.600 -0.101 0.000 0.936 89 K CA -0.869 55.359 56.287 -0.100 0.000 0.809 89 K CB 2.404 34.869 32.500 -0.060 0.000 1.131 89 K HN 0.584 nan 8.250 nan 0.000 0.427 90 R N 0.673 121.130 120.500 -0.072 0.000 2.643 90 R HA 0.057 4.397 4.340 0.000 0.000 0.270 90 R C 0.565 176.843 176.300 -0.036 0.000 1.061 90 R CA 0.095 56.161 56.100 -0.056 0.000 1.107 90 R CB 0.354 30.629 30.300 -0.042 0.000 0.999 90 R HN 0.602 nan 8.270 nan 0.000 0.460 91 T N 0.335 114.875 114.554 -0.024 0.000 3.014 91 T HA 0.106 4.456 4.350 0.000 0.000 0.250 91 T C 1.278 175.976 174.700 -0.004 0.000 1.060 91 T CA 0.574 62.670 62.100 -0.007 0.000 1.040 91 T CB 0.378 69.250 68.868 0.007 0.000 0.971 91 T HN 0.944 nan 8.240 nan 0.000 0.497 92 G N 1.616 110.412 108.800 -0.007 0.000 2.189 92 G HA2 -0.116 3.844 3.960 0.000 0.000 0.267 92 G HA3 -0.116 3.844 3.960 0.000 0.000 0.267 92 G C 0.165 175.066 174.900 0.003 0.000 0.975 92 G CA 0.162 45.260 45.100 -0.004 0.000 0.644 92 G HN 0.941 nan 8.290 nan 0.000 0.537 93 A N 0.263 123.088 122.820 0.009 0.000 2.365 93 A HA 0.787 5.108 4.320 0.000 0.000 0.318 93 A C 0.318 177.916 177.584 0.023 0.000 1.091 93 A CA -0.785 51.260 52.037 0.014 0.000 0.763 93 A CB 1.124 20.132 19.000 0.013 0.000 1.248 93 A HN 0.520 nan 8.150 nan 0.000 0.442 94 I N 1.825 122.408 120.570 0.021 0.000 2.754 94 I HA 0.058 4.228 4.170 0.000 0.000 0.285 94 I C 0.703 176.841 176.117 0.035 0.000 1.166 94 I CA 0.061 61.377 61.300 0.028 0.000 1.417 94 I CB 0.500 38.511 38.000 0.018 0.000 1.382 94 I HN 0.376 nan 8.210 nan 0.000 0.588 95 V N 5.548 125.494 119.914 0.054 0.000 2.720 95 V HA 0.029 4.149 4.120 0.000 0.000 0.307 95 V C 0.233 176.335 176.094 0.013 0.000 1.071 95 V CA 0.190 62.524 62.300 0.057 0.000 1.199 95 V CB -0.025 31.863 31.823 0.108 0.000 0.900 95 V HN 0.952 nan 8.190 nan 0.000 0.494 96 D N 2.978 123.377 120.400 -0.002 0.000 2.615 96 D HA 0.659 5.299 4.640 0.000 0.000 0.267 96 D C -0.885 175.397 176.300 -0.031 0.000 1.236 96 D CA -0.524 53.468 54.000 -0.014 0.000 0.839 96 D CB 2.186 42.983 40.800 -0.005 0.000 1.380 96 D HN 0.541 nan 8.370 nan 0.000 0.433 97 V N -4.638 115.257 119.914 -0.032 0.000 3.078 97 V HA 0.705 4.825 4.120 0.000 0.000 0.311 97 V C -2.866 173.199 176.094 -0.047 0.000 1.138 97 V CA -2.355 59.919 62.300 -0.043 0.000 1.007 97 V CB 1.771 33.567 31.823 -0.046 0.000 1.045 97 V HN 0.519 nan 8.190 nan 0.000 0.432 98 P HA 0.200 nan 4.420 nan 0.000 0.261 98 P C -0.598 176.637 177.300 -0.107 0.000 1.183 98 P CA 0.457 63.512 63.100 -0.075 0.000 0.761 98 P CB 0.965 32.624 31.700 -0.067 0.000 0.785 99 V N 2.510 122.324 119.914 -0.166 0.000 3.102 99 V HA 0.914 5.034 4.120 0.000 0.000 0.312 99 V C 0.523 176.297 176.094 -0.534 0.000 1.135 99 V CA 0.206 62.343 62.300 -0.271 0.000 1.022 99 V CB 1.899 33.607 31.823 -0.192 0.000 1.056 99 V HN 1.022 nan 8.190 nan 0.000 0.436 100 G N 1.379 109.646 108.800 -0.888 0.000 2.354 100 G HA2 -0.010 3.950 3.960 0.000 0.000 0.582 100 G HA3 -0.010 3.950 3.960 0.000 0.000 0.582 100 G C -0.189 174.307 174.900 -0.673 0.000 1.316 100 G CA -0.142 44.148 45.100 -1.351 0.000 0.995 100 G HN 0.645 nan 8.290 nan 0.000 0.573 101 E N -0.122 119.802 120.200 -0.460 0.000 2.516 101 E HA 0.026 4.376 4.350 0.000 0.000 0.199 101 E C 1.533 178.092 176.600 -0.067 0.000 1.069 101 E CA 1.020 57.341 56.400 -0.132 0.000 0.876 101 E CB 0.104 29.782 29.700 -0.037 0.000 0.843 101 E HN 0.491 nan 8.360 nan 0.000 0.530 102 E N -0.005 120.122 120.200 -0.122 0.000 2.511 102 E HA -0.066 4.284 4.350 0.000 0.000 0.196 102 E C 1.254 177.829 176.600 -0.042 0.000 1.066 102 E CA 0.370 56.730 56.400 -0.066 0.000 0.871 102 E CB 0.049 29.701 29.700 -0.081 0.000 0.863 102 E HN 0.263 nan 8.360 nan 0.000 0.520 103 L N -0.187 121.012 121.223 -0.039 0.000 2.375 103 L HA 0.104 4.444 4.340 0.000 0.000 0.215 103 L C 0.455 177.350 176.870 0.042 0.000 1.108 103 L CA -0.058 54.781 54.840 -0.001 0.000 0.830 103 L CB -0.146 41.913 42.059 -0.001 0.000 0.959 103 L HN 0.078 nan 8.230 nan 0.000 0.457 104 L N 0.689 121.958 121.223 0.075 0.000 2.559 104 L HA 0.039 4.379 4.340 0.000 0.000 0.282 104 L C 1.498 178.402 176.870 0.057 0.000 1.232 104 L CA 0.848 55.750 54.840 0.102 0.000 0.885 104 L CB -0.267 41.885 42.059 0.155 0.000 1.131 104 L HN 0.380 nan 8.230 nan 0.000 0.498 105 G N 1.995 110.815 108.800 0.033 0.000 2.168 105 G HA2 -0.265 3.695 3.960 0.000 0.000 0.263 105 G HA3 -0.265 3.695 3.960 0.000 0.000 0.263 105 G C 0.399 175.296 174.900 -0.004 0.000 0.977 105 G CA -0.011 45.087 45.100 -0.004 0.000 0.659 105 G HN 0.582 nan 8.290 nan 0.000 0.533 106 R N -0.807 119.698 120.500 0.008 0.000 2.778 106 R HA 0.613 4.953 4.340 0.000 0.000 0.277 106 R C -0.583 175.723 176.300 0.009 0.000 0.977 106 R CA -0.746 55.357 56.100 0.005 0.000 0.950 106 R CB 2.275 32.579 30.300 0.006 0.000 1.165 106 R HN 0.103 nan 8.270 nan 0.000 0.474 107 V N 3.285 123.203 119.914 0.007 0.000 2.357 107 V HA 0.335 4.456 4.120 0.000 0.000 0.284 107 V C 0.321 176.424 176.094 0.015 0.000 1.018 107 V CA -0.640 61.669 62.300 0.015 0.000 0.841 107 V CB 1.132 32.962 31.823 0.013 0.000 0.991 107 V HN 0.609 nan 8.190 nan 0.000 0.437 108 V N 1.447 121.372 119.914 0.019 0.000 3.181 108 V HA 0.859 4.979 4.120 0.000 0.000 0.314 108 V C -0.572 175.531 176.094 0.014 0.000 1.173 108 V CA -0.786 61.521 62.300 0.011 0.000 1.052 108 V CB 2.258 34.083 31.823 0.003 0.000 1.123 108 V HN 0.761 nan 8.190 nan 0.000 0.454 109 D N 0.245 120.649 120.400 0.006 0.000 2.487 109 D HA 0.576 5.216 4.640 0.000 0.000 0.262 109 D C 0.936 177.228 176.300 -0.012 0.000 1.130 109 D CA -0.166 53.838 54.000 0.005 0.000 1.038 109 D CB 1.462 42.267 40.800 0.008 0.000 1.142 109 D HN 0.861 nan 8.370 nan 0.000 0.575 110 A N -0.427 122.379 122.820 -0.023 0.000 2.121 110 A HA -0.001 4.319 4.320 0.000 0.000 0.218 110 A C 2.078 179.601 177.584 -0.101 0.000 1.154 110 A CA 0.699 52.704 52.037 -0.053 0.000 0.679 110 A CB -0.762 18.204 19.000 -0.056 0.000 0.795 110 A HN 0.544 nan 8.150 nan 0.000 0.458 111 L N -2.040 119.124 121.223 -0.099 0.000 2.567 111 L HA 0.227 4.568 4.340 0.000 0.000 0.225 111 L C 1.688 178.516 176.870 -0.070 0.000 1.119 111 L CA 0.653 55.419 54.840 -0.123 0.000 0.871 111 L CB 0.194 42.181 42.059 -0.119 0.000 1.036 111 L HN 0.555 nan 8.230 nan 0.000 0.459 112 G N -0.596 108.177 108.800 -0.046 0.000 2.179 112 G HA2 -0.226 3.734 3.960 0.000 0.000 0.220 112 G HA3 -0.226 3.734 3.960 0.000 0.000 0.220 112 G C 0.011 174.897 174.900 -0.023 0.000 0.990 112 G CA -0.456 44.624 45.100 -0.034 0.000 0.646 112 G HN 0.289 nan 8.290 nan 0.000 0.517 113 N N 1.354 120.044 118.700 -0.017 0.000 2.520 113 N HA 0.565 5.305 4.740 0.000 0.000 0.273 113 N C 0.646 176.155 175.510 -0.003 0.000 1.155 113 N CA 0.656 53.702 53.050 -0.007 0.000 0.967 113 N CB 1.344 39.831 38.487 0.001 0.000 1.092 113 N HN 0.743 nan 8.380 nan 0.000 0.457 114 A N 1.633 124.451 122.820 -0.002 0.000 2.445 114 A HA 0.309 4.629 4.320 0.000 0.000 0.242 114 A C 1.230 178.818 177.584 0.005 0.000 1.075 114 A CA -0.130 51.907 52.037 0.001 0.000 0.777 114 A CB -0.309 18.691 19.000 -0.001 0.000 1.013 114 A HN 0.861 nan 8.150 nan 0.000 0.493 115 I N -1.703 118.871 120.570 0.008 0.000 4.541 115 I HA 0.240 4.410 4.170 0.000 0.000 0.337 115 I C 0.331 176.454 176.117 0.009 0.000 1.338 115 I CA 0.112 61.418 61.300 0.011 0.000 1.244 115 I CB 0.571 38.580 38.000 0.015 0.000 1.417 115 I HN 0.433 nan 8.210 nan 0.000 0.501 116 D N 1.504 121.907 120.400 0.006 0.000 2.328 116 D HA 0.157 4.797 4.640 0.000 0.000 0.226 116 D C 1.658 177.959 176.300 0.001 0.000 1.066 116 D CA 0.554 54.556 54.000 0.002 0.000 0.861 116 D CB -0.027 40.773 40.800 -0.001 0.000 0.912 116 D HN 0.482 nan 8.370 nan 0.000 0.521 117 G N 0.784 109.586 108.800 0.002 0.000 2.179 117 G HA2 -0.366 3.594 3.960 0.000 0.000 0.257 117 G HA3 -0.366 3.594 3.960 0.000 0.000 0.257 117 G C 0.562 175.463 174.900 0.000 0.000 1.010 117 G CA 0.375 45.476 45.100 0.002 0.000 0.736 117 G HN 0.472 nan 8.290 nan 0.000 0.513 118 K N 0.319 120.718 120.400 -0.001 0.000 2.681 118 K HA 0.486 4.806 4.320 0.000 0.000 0.211 118 K C 1.245 177.844 176.600 -0.002 0.000 1.075 118 K CA 0.246 56.532 56.287 -0.002 0.000 1.141 118 K CB 0.367 32.865 32.500 -0.003 0.000 0.896 118 K HN 1.391 nan 8.250 nan 0.000 0.470 119 G N 2.252 111.051 108.800 -0.001 0.000 2.796 119 G HA2 -0.202 3.758 3.960 0.000 0.000 0.571 119 G HA3 -0.202 3.758 3.960 0.000 0.000 0.571 119 G C -2.640 172.258 174.900 -0.003 0.000 1.370 119 G CA -1.338 43.761 45.100 -0.001 0.000 0.856 119 G HN 0.072 nan 8.290 nan 0.000 0.538 120 P HA 0.342 nan 4.420 nan 0.000 0.269 120 P C 0.316 177.609 177.300 -0.011 0.000 1.211 120 P CA -0.286 62.810 63.100 -0.007 0.000 0.781 120 P CB 0.314 32.009 31.700 -0.007 0.000 0.877 121 I N 1.107 121.667 120.570 -0.016 0.000 2.365 121 I HA 0.189 4.359 4.170 0.000 0.000 0.291 121 I C 1.456 177.554 176.117 -0.030 0.000 1.004 121 I CA -0.030 61.255 61.300 -0.025 0.000 1.311 121 I CB 0.601 38.582 38.000 -0.032 0.000 1.401 121 I HN 0.463 nan 8.210 nan 0.000 0.491 122 G N 4.815 113.595 108.800 -0.034 0.000 3.709 122 G HA2 0.181 4.141 3.960 0.000 0.000 0.272 122 G HA3 0.181 4.141 3.960 0.000 0.000 0.272 122 G C 0.358 175.225 174.900 -0.054 0.000 1.259 122 G CA -0.314 44.764 45.100 -0.036 0.000 1.512 122 G HN 0.643 nan 8.290 nan 0.000 0.625 123 S N -0.160 115.500 115.700 -0.067 0.000 2.552 123 S HA 0.123 4.593 4.470 0.000 0.000 0.289 123 S C 0.816 175.366 174.600 -0.082 0.000 1.304 123 S CA -0.105 58.036 58.200 -0.098 0.000 1.063 123 S CB 1.951 65.091 63.200 -0.099 0.000 0.848 123 S HN 0.468 nan 8.310 nan 0.000 0.499 124 K N 0.549 120.892 120.400 -0.095 0.000 2.374 124 K HA 0.398 4.718 4.320 0.000 0.000 0.202 124 K C 0.155 176.718 176.600 -0.061 0.000 1.040 124 K CA 0.063 56.313 56.287 -0.063 0.000 1.085 124 K CB 0.751 33.223 32.500 -0.047 0.000 0.873 124 K HN 0.721 nan 8.250 nan 0.000 0.539 125 A N 1.170 123.934 122.820 -0.095 0.000 2.539 125 A HA 0.690 5.010 4.320 0.000 0.000 0.296 125 A C -1.223 176.311 177.584 -0.082 0.000 1.073 125 A CA -0.828 51.164 52.037 -0.074 0.000 0.700 125 A CB 1.349 20.313 19.000 -0.061 0.000 1.296 125 A HN 0.100 nan 8.150 nan 0.000 0.405 126 R N 0.387 120.860 120.500 -0.045 0.000 2.686 126 R HA 0.700 5.040 4.340 0.000 0.000 0.283 126 R C -0.748 175.541 176.300 -0.017 0.000 0.978 126 R CA -0.736 55.341 56.100 -0.038 0.000 0.897 126 R CB 2.762 33.046 30.300 -0.027 0.000 1.192 126 R HN 0.762 nan 8.270 nan 0.000 0.457 127 R N 1.558 122.049 120.500 -0.015 0.000 2.673 127 R HA 0.372 4.712 4.340 0.000 0.000 0.281 127 R C -0.691 175.610 176.300 0.003 0.000 0.991 127 R CA -0.858 55.245 56.100 0.006 0.000 0.896 127 R CB 1.874 32.188 30.300 0.023 0.000 1.201 127 R HN 0.535 nan 8.270 nan 0.000 0.457 128 R N 1.147 121.651 120.500 0.007 0.000 2.643 128 R HA 0.013 4.353 4.340 0.000 0.000 0.270 128 R C 1.362 177.663 176.300 0.001 0.000 1.061 128 R CA 0.137 56.238 56.100 0.001 0.000 1.107 128 R CB 0.804 31.105 30.300 0.002 0.000 0.999 128 R HN 0.537 nan 8.270 nan 0.000 0.460 129 V N 0.093 119.999 119.914 -0.014 0.000 3.235 129 V HA 0.128 4.249 4.120 0.000 0.000 0.259 129 V C 1.271 177.336 176.094 -0.049 0.000 1.133 129 V CA 1.588 63.883 62.300 -0.009 0.000 1.128 129 V CB 0.204 32.011 31.823 -0.026 0.000 0.757 129 V HN 0.874 nan 8.190 nan 0.000 0.469 130 G N 0.114 108.866 108.800 -0.079 0.000 3.042 130 G HA2 0.262 4.222 3.960 0.000 0.000 0.212 130 G HA3 0.262 4.222 3.960 0.000 0.000 0.212 130 G C 0.568 175.439 174.900 -0.048 0.000 1.166 130 G CA -0.414 44.618 45.100 -0.114 0.000 0.767 130 G HN 0.428 nan 8.290 nan 0.000 0.546 131 L N 1.023 122.239 121.223 -0.012 0.000 2.615 131 L HA -0.002 4.338 4.340 0.000 0.000 0.284 131 L C 0.944 177.819 176.870 0.010 0.000 1.237 131 L CA 0.339 55.184 54.840 0.007 0.000 0.905 131 L CB 0.411 42.483 42.059 0.021 0.000 1.149 131 L HN 0.176 nan 8.230 nan 0.000 0.499 132 K N 2.940 123.348 120.400 0.015 0.000 2.382 132 K HA 0.270 4.590 4.320 0.000 0.000 0.275 132 K C 0.140 176.751 176.600 0.017 0.000 1.009 132 K CA -0.309 55.991 56.287 0.022 0.000 0.970 132 K CB 0.839 33.356 32.500 0.028 0.000 0.934 132 K HN 0.670 nan 8.250 nan 0.000 0.479 133 A N 5.181 128.012 122.820 0.017 0.000 2.466 133 A HA 0.220 4.540 4.320 0.000 0.000 0.238 133 A C -2.115 175.463 177.584 -0.011 0.000 1.074 133 A CA -1.063 50.977 52.037 0.006 0.000 0.774 133 A CB -0.559 18.446 19.000 0.007 0.000 1.015 133 A HN 0.644 nan 8.150 nan 0.000 0.498 134 P HA 0.232 nan 4.420 nan 0.000 0.268 134 P C 0.676 177.929 177.300 -0.077 0.000 1.204 134 P CA 0.476 63.527 63.100 -0.082 0.000 0.768 134 P CB 0.470 32.091 31.700 -0.132 0.000 0.842 135 G N 1.749 110.497 108.800 -0.086 0.000 2.485 135 G HA2 0.122 4.082 3.960 0.000 0.000 0.260 135 G HA3 0.122 4.082 3.960 0.000 0.000 0.260 135 G C 1.135 175.990 174.900 -0.074 0.000 1.459 135 G CA -0.628 44.436 45.100 -0.060 0.000 1.060 135 G HN 0.412 nan 8.290 nan 0.000 0.546 136 I N -0.074 120.467 120.570 -0.048 0.000 2.142 136 I HA -0.146 4.024 4.170 0.000 0.000 0.240 136 I C 2.614 178.697 176.117 -0.058 0.000 1.078 136 I CA 0.758 62.034 61.300 -0.040 0.000 1.343 136 I CB -0.209 37.781 38.000 -0.016 0.000 1.046 136 I HN 0.227 nan 8.210 nan 0.000 0.405 137 I N 0.954 121.491 120.570 -0.055 0.000 2.179 137 I HA -0.154 4.016 4.170 0.000 0.000 0.242 137 I C -0.157 175.887 176.117 -0.122 0.000 1.088 137 I CA 1.733 63.010 61.300 -0.038 0.000 1.357 137 I CB -2.885 35.133 38.000 0.030 0.000 1.051 137 I HN 0.146 nan 8.210 nan 0.000 0.409 138 P HA -0.108 nan 4.420 nan 0.000 0.223 138 P C 0.277 177.340 177.300 -0.395 0.000 1.144 138 P CA 1.206 63.786 63.100 -0.867 0.000 0.783 138 P CB 0.051 31.016 31.700 -1.224 0.000 0.771 139 R N -0.834 119.552 120.500 -0.189 0.000 2.797 139 R HA 0.710 5.050 4.340 0.000 0.000 0.251 139 R C -0.585 175.697 176.300 -0.030 0.000 1.107 139 R CA -0.991 55.054 56.100 -0.093 0.000 1.084 139 R CB 0.941 31.197 30.300 -0.074 0.000 1.205 139 R HN -0.155 nan 8.270 nan 0.000 0.515 140 I N -0.204 120.361 120.570 -0.008 0.000 2.692 140 I HA 0.146 4.316 4.170 0.000 0.000 0.293 140 I C -0.842 175.277 176.117 0.003 0.000 1.200 140 I CA -0.114 61.191 61.300 0.007 0.000 1.036 140 I CB 2.404 40.419 38.000 0.025 0.000 1.258 140 I HN 0.648 nan 8.210 nan 0.000 0.421 141 S N 4.584 120.285 115.700 0.002 0.000 2.643 141 S HA 0.080 4.550 4.470 0.000 0.000 0.310 141 S C 0.037 174.634 174.600 -0.004 0.000 1.253 141 S CA -0.510 57.689 58.200 -0.001 0.000 1.047 141 S CB -0.016 63.183 63.200 -0.001 0.000 0.767 141 S HN 0.458 nan 8.310 nan 0.000 0.498 142 V N 4.549 124.459 119.914 -0.008 0.000 2.493 142 V HA 0.050 4.170 4.120 0.000 0.000 0.292 142 V C 1.142 177.222 176.094 -0.023 0.000 1.016 142 V CA 0.755 63.046 62.300 -0.016 0.000 1.097 142 V CB 0.187 32.000 31.823 -0.016 0.000 0.947 142 V HN 0.876 nan 8.190 nan 0.000 0.479 143 R N 1.823 122.303 120.500 -0.033 0.000 2.635 143 R HA 0.207 4.548 4.340 0.000 0.000 0.241 143 R C 0.080 176.343 176.300 -0.062 0.000 0.941 143 R CA -0.274 55.803 56.100 -0.038 0.000 1.014 143 R CB 0.547 30.830 30.300 -0.028 0.000 1.517 143 R HN 0.685 nan 8.270 nan 0.000 0.594 144 E N 3.188 123.335 120.200 -0.088 0.000 2.223 144 E HA 0.161 4.511 4.350 0.000 0.000 0.282 144 E C -2.443 174.069 176.600 -0.147 0.000 1.046 144 E CA -2.146 54.172 56.400 -0.138 0.000 0.857 144 E CB 0.621 30.196 29.700 -0.209 0.000 1.055 144 E HN -0.095 nan 8.360 nan 0.000 0.409 145 P HA -0.071 nan 4.420 nan 0.000 0.267 145 P C -0.480 176.709 177.300 -0.185 0.000 1.200 145 P CA 0.174 63.193 63.100 -0.136 0.000 0.772 145 P CB 0.435 32.059 31.700 -0.126 0.000 0.855 146 M N 2.519 122.035 119.600 -0.140 0.000 1.986 146 M HA 0.126 4.606 4.480 0.000 0.000 0.247 146 M C -0.934 175.320 176.300 -0.077 0.000 0.851 146 M CA -0.513 54.702 55.300 -0.141 0.000 0.785 146 M CB 0.416 32.954 32.600 -0.103 0.000 1.554 146 M HN 0.290 nan 8.290 nan 0.000 0.361 147 Q N 1.732 121.488 119.800 -0.074 0.000 2.289 147 Q HA 0.143 4.483 4.340 0.000 0.000 0.273 147 Q C 1.234 177.274 176.000 0.068 0.000 1.029 147 Q CA 0.401 56.216 55.803 0.020 0.000 0.896 147 Q CB 0.551 29.344 28.738 0.091 0.000 1.182 147 Q HN 0.723 nan 8.270 nan 0.000 0.385 148 T N -1.491 113.090 114.554 0.046 0.000 3.051 148 T HA 0.179 4.529 4.350 0.000 0.000 0.255 148 T C 1.234 175.963 174.700 0.049 0.000 1.085 148 T CA 0.543 62.670 62.100 0.045 0.000 1.109 148 T CB 0.169 69.052 68.868 0.026 0.000 0.921 148 T HN 0.824 nan 8.240 nan 0.000 0.488 149 G N 1.468 110.297 108.800 0.048 0.000 2.175 149 G HA2 -0.181 3.779 3.960 0.000 0.000 0.244 149 G HA3 -0.181 3.779 3.960 0.000 0.000 0.244 149 G C -0.004 174.906 174.900 0.017 0.000 0.982 149 G CA 0.023 45.144 45.100 0.036 0.000 0.641 149 G HN 0.654 nan 8.290 nan 0.000 0.527 150 I N 1.180 121.759 120.570 0.015 0.000 2.307 150 I HA 0.256 4.426 4.170 0.000 0.000 0.289 150 I C 1.571 177.693 176.117 0.008 0.000 1.021 150 I CA -0.786 60.517 61.300 0.005 0.000 1.224 150 I CB 1.284 39.284 38.000 0.001 0.000 1.376 150 I HN 0.002 nan 8.210 nan 0.000 0.470 151 K N 4.377 124.781 120.400 0.007 0.000 2.044 151 K HA -0.241 4.079 4.320 0.000 0.000 0.210 151 K C 2.129 178.734 176.600 0.010 0.000 1.049 151 K CA 1.823 58.117 56.287 0.011 0.000 0.927 151 K CB -0.220 32.287 32.500 0.012 0.000 0.713 151 K HN 0.792 nan 8.250 nan 0.000 0.443 152 A N 1.127 123.950 122.820 0.005 0.000 1.892 152 A HA -0.173 4.147 4.320 0.000 0.000 0.218 152 A C 2.461 180.052 177.584 0.012 0.000 1.188 152 A CA 1.920 53.962 52.037 0.007 0.000 0.631 152 A CB -0.786 18.216 19.000 0.003 0.000 0.822 152 A HN 0.109 nan 8.150 nan 0.000 0.447 153 V N 0.169 120.089 119.914 0.011 0.000 2.346 153 V HA -0.161 3.959 4.120 0.000 0.000 0.244 153 V C 2.074 178.174 176.094 0.011 0.000 1.037 153 V CA 2.124 64.432 62.300 0.013 0.000 1.029 153 V CB -0.771 31.060 31.823 0.013 0.000 0.663 153 V HN 0.470 nan 8.190 nan 0.000 0.454 154 D N 0.320 120.726 120.400 0.011 0.000 2.219 154 D HA -0.099 4.541 4.640 0.000 0.000 0.205 154 D C 2.371 178.677 176.300 0.009 0.000 0.970 154 D CA 1.681 55.687 54.000 0.010 0.000 0.851 154 D CB -0.038 40.771 40.800 0.014 0.000 0.943 154 D HN 0.607 nan 8.370 nan 0.000 0.488 155 S N -0.829 114.878 115.700 0.011 0.000 2.460 155 S HA 0.094 4.564 4.470 0.000 0.000 0.226 155 S C 2.034 176.639 174.600 0.009 0.000 1.057 155 S CA 0.002 58.208 58.200 0.010 0.000 0.948 155 S CB -0.223 62.983 63.200 0.011 0.000 0.822 155 S HN 0.148 nan 8.310 nan 0.000 0.512 156 L N 1.387 122.617 121.223 0.012 0.000 2.253 156 L HA 0.288 4.628 4.340 0.000 0.000 0.205 156 L C 0.287 177.166 176.870 0.016 0.000 1.078 156 L CA 0.311 55.160 54.840 0.015 0.000 0.805 156 L CB 0.211 42.282 42.059 0.020 0.000 0.963 156 L HN 0.299 nan 8.230 nan 0.000 0.459 157 V N -2.155 117.769 119.914 0.016 0.000 2.468 157 V HA 0.333 4.453 4.120 0.000 0.000 0.256 157 V C -2.614 173.487 176.094 0.011 0.000 0.998 157 V CA -1.663 60.647 62.300 0.017 0.000 1.114 157 V CB -0.139 31.699 31.823 0.026 0.000 1.378 157 V HN -0.045 nan 8.190 nan 0.000 0.573 158 P HA 0.280 nan 4.420 nan 0.000 0.268 158 P C -0.210 177.087 177.300 -0.007 0.000 1.204 158 P CA 0.454 63.553 63.100 -0.002 0.000 0.768 158 P CB 1.557 33.254 31.700 -0.006 0.000 0.842 159 I N 1.890 122.453 120.570 -0.012 0.000 2.498 159 I HA 0.564 4.734 4.170 0.000 0.000 0.301 159 I C 1.143 177.239 176.117 -0.036 0.000 0.984 159 I CA -0.409 60.880 61.300 -0.018 0.000 1.204 159 I CB 1.854 39.845 38.000 -0.016 0.000 1.362 159 I HN 0.367 nan 8.210 nan 0.000 0.471 160 G N 3.610 112.387 108.800 -0.039 0.000 2.537 160 G HA2 0.540 4.500 3.960 0.000 0.000 0.308 160 G HA3 0.540 4.500 3.960 0.000 0.000 0.308 160 G C -0.872 173.992 174.900 -0.061 0.000 1.237 160 G CA -0.914 44.152 45.100 -0.057 0.000 0.968 160 G HN 0.484 nan 8.290 nan 0.000 0.481 161 R N -0.176 120.271 120.500 -0.089 0.000 2.370 161 R HA 0.403 4.743 4.340 0.000 0.000 0.309 161 R C 1.163 177.445 176.300 -0.029 0.000 1.059 161 R CA 1.146 57.196 56.100 -0.084 0.000 0.981 161 R CB 0.770 30.960 30.300 -0.183 0.000 0.972 161 R HN 1.212 nan 8.270 nan 0.000 0.437 162 G N 1.857 110.657 108.800 -0.001 0.000 2.194 162 G HA2 -0.297 3.663 3.960 0.000 0.000 0.236 162 G HA3 -0.297 3.663 3.960 0.000 0.000 0.236 162 G C 0.195 175.098 174.900 0.004 0.000 0.987 162 G CA -0.018 45.090 45.100 0.013 0.000 0.635 162 G HN 0.577 nan 8.290 nan 0.000 0.520 163 Q N 0.028 119.825 119.800 -0.005 0.000 2.317 163 Q HA 0.697 5.037 4.340 0.000 0.000 0.229 163 Q C 0.079 176.081 176.000 0.002 0.000 0.984 163 Q CA -0.567 55.234 55.803 -0.003 0.000 0.911 163 Q CB 0.469 29.201 28.738 -0.010 0.000 1.217 163 Q HN 0.379 nan 8.270 nan 0.000 0.501 164 R N 1.784 122.288 120.500 0.006 0.000 2.360 164 R HA 0.284 4.624 4.340 0.000 0.000 0.318 164 R C -1.395 174.910 176.300 0.007 0.000 0.950 164 R CA -0.462 55.644 56.100 0.010 0.000 0.837 164 R CB 1.561 31.869 30.300 0.012 0.000 1.165 164 R HN 0.454 nan 8.270 nan 0.000 0.458 165 E N 3.188 123.393 120.200 0.007 0.000 2.185 165 E HA 0.224 4.574 4.350 0.000 0.000 0.261 165 E C -1.383 175.226 176.600 0.014 0.000 0.879 165 E CA -0.918 55.488 56.400 0.011 0.000 0.756 165 E CB 0.988 30.694 29.700 0.010 0.000 1.152 165 E HN 0.351 nan 8.360 nan 0.000 0.416 166 L N 5.503 126.736 121.223 0.016 0.000 2.416 166 L HA 0.407 4.747 4.340 0.000 0.000 0.272 166 L C -0.894 175.998 176.870 0.037 0.000 1.161 166 L CA 0.271 55.122 54.840 0.018 0.000 0.845 166 L CB 0.519 42.585 42.059 0.011 0.000 1.119 166 L HN 0.664 nan 8.230 nan 0.000 0.464 167 I N 7.125 127.717 120.570 0.037 0.000 2.306 167 I HA 0.362 4.532 4.170 0.000 0.000 0.288 167 I C -0.252 175.907 176.117 0.070 0.000 1.036 167 I CA -0.034 61.297 61.300 0.052 0.000 1.221 167 I CB 0.855 38.879 38.000 0.040 0.000 1.385 167 I HN 0.573 nan 8.210 nan 0.000 0.472 168 I N 5.408 126.053 120.570 0.124 0.000 2.608 168 I HA 0.910 5.080 4.170 0.000 0.000 0.295 168 I C -0.152 176.129 176.117 0.275 0.000 1.049 168 I CA -0.006 61.405 61.300 0.184 0.000 1.063 168 I CB 1.983 40.102 38.000 0.198 0.000 1.248 168 I HN 0.658 nan 8.210 nan 0.000 0.424 169 G N 4.812 113.748 108.800 0.227 0.000 2.328 169 G HA2 0.125 4.085 3.960 0.000 0.000 0.299 169 G HA3 0.125 4.085 3.960 0.000 0.000 0.299 169 G C -1.889 173.055 174.900 0.073 0.000 1.435 169 G CA -0.864 44.310 45.100 0.123 0.000 0.865 169 G HN 0.515 nan 8.290 nan 0.000 0.601 170 D N 0.164 120.578 120.400 0.022 0.000 2.352 170 D HA 0.340 4.980 4.640 0.000 0.000 0.238 170 D C 1.387 177.673 176.300 -0.024 0.000 1.286 170 D CA 0.023 54.034 54.000 0.018 0.000 0.923 170 D CB 0.416 41.224 40.800 0.013 0.000 1.146 170 D HN 0.712 nan 8.370 nan 0.000 0.471 171 R N 0.480 120.972 120.500 -0.014 0.000 2.698 171 R HA -0.011 4.330 4.340 0.000 0.000 0.266 171 R C -0.126 176.120 176.300 -0.091 0.000 1.026 171 R CA -0.191 55.892 56.100 -0.029 0.000 1.102 171 R CB 0.156 30.454 30.300 -0.004 0.000 0.978 171 R HN 0.189 nan 8.270 nan 0.000 0.436 172 Q N 0.155 119.886 119.800 -0.114 0.000 2.453 172 Q HA -0.155 4.185 4.340 0.000 0.000 0.294 172 Q C 0.069 175.818 176.000 -0.419 0.000 1.295 172 Q CA 1.788 57.456 55.803 -0.225 0.000 0.853 172 Q CB -1.807 26.816 28.738 -0.191 0.000 1.193 172 Q HN 0.993 nan 8.270 nan 0.000 0.461 173 T N -5.114 109.250 114.554 -0.316 0.000 3.092 173 T HA 0.455 4.806 4.350 0.000 0.000 0.258 173 T C 1.152 175.750 174.700 -0.170 0.000 1.031 173 T CA 0.635 62.524 62.100 -0.352 0.000 0.925 173 T CB 1.015 69.755 68.868 -0.213 0.000 1.036 173 T HN 0.780 nan 8.240 nan 0.000 0.544 174 G N 1.819 110.546 108.800 -0.123 0.000 2.131 174 G HA2 -0.271 3.689 3.960 0.000 0.000 0.223 174 G HA3 -0.271 3.689 3.960 0.000 0.000 0.223 174 G C 0.758 175.659 174.900 0.001 0.000 0.990 174 G CA 0.279 45.379 45.100 0.000 0.000 0.671 174 G HN 0.513 nan 8.290 nan 0.000 0.521 175 K N -0.376 120.019 120.400 -0.009 0.000 1.987 175 K HA -0.106 4.214 4.320 0.000 0.000 0.216 175 K C 2.575 179.198 176.600 0.039 0.000 1.051 175 K CA 2.076 58.372 56.287 0.015 0.000 0.942 175 K CB -0.470 32.041 32.500 0.018 0.000 0.722 175 K HN 0.278 nan 8.250 nan 0.000 0.444 176 T N 0.992 115.579 114.554 0.055 0.000 2.803 176 T HA -0.125 4.225 4.350 0.000 0.000 0.269 176 T C 1.999 176.739 174.700 0.066 0.000 1.052 176 T CA 1.527 63.685 62.100 0.096 0.000 1.136 176 T CB -0.184 68.752 68.868 0.112 0.000 0.864 176 T HN 0.187 nan 8.240 nan 0.000 0.467 177 S N 1.024 116.740 115.700 0.028 0.000 2.368 177 S HA -0.026 4.444 4.470 0.000 0.000 0.224 177 S C 2.001 176.594 174.600 -0.011 0.000 1.029 177 S CA 0.644 58.836 58.200 -0.012 0.000 0.988 177 S CB -0.267 62.899 63.200 -0.057 0.000 0.838 177 S HN 0.355 nan 8.310 nan 0.000 0.462 178 I N 2.175 122.748 120.570 0.005 0.000 2.264 178 I HA -0.186 3.984 4.170 0.000 0.000 0.248 178 I C 2.637 178.773 176.117 0.030 0.000 1.111 178 I CA 1.259 62.565 61.300 0.010 0.000 1.382 178 I CB -1.808 36.203 38.000 0.018 0.000 1.060 178 I HN 0.232 nan 8.210 nan 0.000 0.418 179 A N 1.064 123.916 122.820 0.055 0.000 1.873 179 A HA -0.130 4.190 4.320 0.000 0.000 0.215 179 A C 2.260 179.891 177.584 0.077 0.000 1.186 179 A CA 1.138 53.225 52.037 0.083 0.000 0.616 179 A CB -0.518 18.571 19.000 0.149 0.000 0.823 179 A HN 0.244 nan 8.150 nan 0.000 0.442 180 I N 0.496 121.101 120.570 0.059 0.000 2.202 180 I HA -0.192 3.979 4.170 0.000 0.000 0.242 180 I C 1.856 178.008 176.117 0.058 0.000 1.091 180 I CA 1.692 63.014 61.300 0.037 0.000 1.368 180 I CB -1.612 36.414 38.000 0.043 0.000 1.058 180 I HN 0.262 nan 8.210 nan 0.000 0.410 181 D N 0.617 121.042 120.400 0.042 0.000 2.149 181 D HA -0.153 4.487 4.640 0.000 0.000 0.198 181 D C 2.185 178.517 176.300 0.053 0.000 0.990 181 D CA 1.518 55.543 54.000 0.041 0.000 0.839 181 D CB -0.181 40.614 40.800 -0.009 0.000 0.948 181 D HN 0.227 nan 8.370 nan 0.000 0.460 182 T N 0.395 114.981 114.554 0.053 0.000 2.720 182 T HA -0.092 4.258 4.350 0.000 0.000 0.268 182 T C 2.101 176.856 174.700 0.092 0.000 1.037 182 T CA 0.608 62.747 62.100 0.064 0.000 1.144 182 T CB -0.156 68.743 68.868 0.051 0.000 0.864 182 T HN 0.183 nan 8.240 nan 0.000 0.444 183 I N 0.322 120.954 120.570 0.104 0.000 2.252 183 I HA -0.101 4.069 4.170 0.000 0.000 0.245 183 I C 2.211 178.458 176.117 0.217 0.000 1.102 183 I CA 1.263 62.661 61.300 0.164 0.000 1.385 183 I CB -0.357 37.707 38.000 0.105 0.000 1.064 183 I HN 0.221 nan 8.210 nan 0.000 0.414 184 I N 0.977 121.627 120.570 0.133 0.000 2.286 184 I HA -0.319 3.851 4.170 0.000 0.000 0.248 184 I C 2.265 178.437 176.117 0.092 0.000 1.115 184 I CA 1.396 62.771 61.300 0.124 0.000 1.392 184 I CB -0.468 37.583 38.000 0.085 0.000 1.065 184 I HN 0.299 nan 8.210 nan 0.000 0.418 185 N N 0.597 119.332 118.700 0.059 0.000 2.223 185 N HA -0.204 4.536 4.740 0.000 0.000 0.185 185 N C 1.738 177.177 175.510 -0.119 0.000 1.016 185 N CA 1.146 54.191 53.050 -0.009 0.000 0.863 185 N CB 0.013 38.531 38.487 0.052 0.000 0.983 185 N HN 0.208 nan 8.380 nan 0.000 0.429 186 Q N 0.370 120.161 119.800 -0.015 0.000 2.500 186 Q HA -0.077 4.263 4.340 0.000 0.000 0.213 186 Q C 1.560 177.306 176.000 -0.424 0.000 0.974 186 Q CA 0.480 56.233 55.803 -0.084 0.000 0.918 186 Q CB -0.164 28.534 28.738 -0.067 0.000 0.980 186 Q HN 0.515 nan 8.270 nan 0.000 0.505 187 K N 1.123 121.346 120.400 -0.295 0.000 2.063 187 K HA -0.164 4.156 4.320 0.000 0.000 0.208 187 K C 1.920 178.308 176.600 -0.354 0.000 1.048 187 K CA 1.088 57.234 56.287 -0.236 0.000 0.928 187 K CB 0.125 32.607 32.500 -0.030 0.000 0.713 187 K HN 0.110 nan 8.250 nan 0.000 0.442 188 R N -0.294 119.885 120.500 -0.534 0.000 2.115 188 R HA -0.202 4.138 4.340 0.000 0.000 0.239 188 R C 2.296 178.287 176.300 -0.515 0.000 1.133 188 R CA 2.542 58.287 56.100 -0.591 0.000 0.935 188 R CB -0.652 29.117 30.300 -0.886 0.000 0.853 188 R HN 0.241 nan 8.270 nan 0.000 0.433 189 F N 0.459 120.316 119.950 -0.155 0.000 2.206 189 F HA -0.007 4.520 4.527 0.000 0.000 0.298 189 F C 1.921 177.599 175.800 -0.204 0.000 1.090 189 F CA 0.432 58.334 58.000 -0.164 0.000 1.323 189 F CB -0.699 38.197 39.000 -0.173 0.000 1.028 189 F HN -0.067 nan 8.300 nan 0.000 0.492 190 N N 0.189 118.774 118.700 -0.191 0.000 2.453 190 N HA -0.119 4.621 4.740 0.000 0.000 0.183 190 N C 0.669 176.105 175.510 -0.124 0.000 1.041 190 N CA 1.145 54.040 53.050 -0.257 0.000 0.900 190 N CB -0.406 37.743 38.487 -0.562 0.000 0.961 190 N HN 0.317 nan 8.380 nan 0.000 0.443 191 D N -0.916 119.421 120.400 -0.106 0.000 2.398 191 D HA 0.151 4.791 4.640 0.000 0.000 0.210 191 D C 1.034 177.311 176.300 -0.038 0.000 1.094 191 D CA 0.047 54.017 54.000 -0.051 0.000 0.839 191 D CB 0.213 40.982 40.800 -0.052 0.000 0.963 191 D HN 0.084 nan 8.370 nan 0.000 0.506 192 G N -0.419 108.359 108.800 -0.037 0.000 2.588 192 G HA2 0.253 4.213 3.960 0.000 0.000 0.281 192 G HA3 0.253 4.213 3.960 0.000 0.000 0.281 192 G C 0.906 175.809 174.900 0.006 0.000 1.236 192 G CA -0.155 44.939 45.100 -0.011 0.000 0.969 192 G HN -0.051 nan 8.290 nan 0.000 0.504 193 T N -0.585 113.976 114.554 0.011 0.000 3.067 193 T HA 0.021 4.371 4.350 0.000 0.000 0.257 193 T C 0.617 175.329 174.700 0.020 0.000 1.105 193 T CA 0.658 62.766 62.100 0.014 0.000 1.104 193 T CB 0.045 68.919 68.868 0.010 0.000 0.925 193 T HN 0.476 nan 8.240 nan 0.000 0.498 194 D N 1.874 122.288 120.400 0.025 0.000 2.453 194 D HA 0.134 4.774 4.640 0.000 0.000 0.223 194 D C 1.000 177.315 176.300 0.026 0.000 1.183 194 D CA -0.240 53.774 54.000 0.023 0.000 0.933 194 D CB 0.788 41.599 40.800 0.019 0.000 1.038 194 D HN -0.021 nan 8.370 nan 0.000 0.513 195 E N 2.580 122.800 120.200 0.032 0.000 2.333 195 E HA -0.196 4.154 4.350 0.000 0.000 0.200 195 E C 1.191 177.826 176.600 0.058 0.000 1.010 195 E CA 1.295 57.723 56.400 0.046 0.000 0.841 195 E CB 0.229 29.964 29.700 0.058 0.000 0.757 195 E HN 0.488 nan 8.360 nan 0.000 0.508 196 K N -0.311 120.120 120.400 0.050 0.000 2.243 196 K HA 0.027 4.347 4.320 0.000 0.000 0.201 196 K C 1.701 178.327 176.600 0.043 0.000 1.051 196 K CA 0.692 57.031 56.287 0.086 0.000 0.970 196 K CB 0.139 32.676 32.500 0.060 0.000 0.755 196 K HN -0.017 nan 8.250 nan 0.000 0.465 197 K N 1.465 121.839 120.400 -0.043 0.000 2.418 197 K HA 0.038 4.358 4.320 0.000 0.000 0.195 197 K C 0.253 176.744 176.600 -0.181 0.000 1.035 197 K CA 0.338 56.517 56.287 -0.180 0.000 1.003 197 K CB 0.151 32.531 32.500 -0.201 0.000 0.793 197 K HN 0.133 nan 8.250 nan 0.000 0.494 198 K N 1.338 121.691 120.400 -0.079 0.000 2.414 198 K HA 0.058 4.378 4.320 0.000 0.000 0.272 198 K C -0.409 176.041 176.600 -0.251 0.000 0.993 198 K CA 0.021 56.199 56.287 -0.181 0.000 0.964 198 K CB 0.393 32.745 32.500 -0.246 0.000 0.925 198 K HN -0.136 nan 8.250 nan 0.000 0.487 199 L N 3.548 124.536 121.223 -0.392 0.000 2.441 199 L HA 0.308 4.648 4.340 0.000 0.000 0.270 199 L C -1.688 174.911 176.870 -0.453 0.000 0.973 199 L CA -0.413 54.238 54.840 -0.316 0.000 0.842 199 L CB 0.985 42.945 42.059 -0.166 0.000 1.239 199 L HN 0.431 nan 8.230 nan 0.000 0.406 200 Y N 3.019 123.209 120.300 -0.182 0.000 2.334 200 Y HA 0.564 5.114 4.550 0.000 0.000 0.328 200 Y C 0.302 176.102 175.900 -0.166 0.000 1.130 200 Y CA -0.336 57.634 58.100 -0.216 0.000 1.163 200 Y CB 1.273 39.340 38.460 -0.655 0.000 1.207 200 Y HN 0.493 nan 8.280 nan 0.000 0.471 201 C N 4.308 123.699 119.300 0.152 0.000 2.411 201 C HA 0.701 5.161 4.460 0.000 0.000 0.330 201 C C -0.097 174.930 174.990 0.061 0.000 1.224 201 C CA -1.169 57.906 59.018 0.095 0.000 1.770 201 C CB 0.161 28.002 27.740 0.168 0.000 2.297 201 C HN 0.643 nan 8.230 nan 0.000 0.507 202 I N 2.200 122.786 120.570 0.027 0.000 2.439 202 I HA 0.250 4.420 4.170 0.000 0.000 0.285 202 I C -1.137 174.996 176.117 0.026 0.000 1.021 202 I CA -0.427 60.889 61.300 0.027 0.000 1.091 202 I CB 1.089 39.086 38.000 -0.004 0.000 1.242 202 I HN 0.653 nan 8.210 nan 0.000 0.439 203 Y N 7.325 127.592 120.300 -0.055 0.000 2.417 203 Y HA 0.528 5.078 4.550 0.000 0.000 0.336 203 Y C -0.710 175.167 175.900 -0.037 0.000 0.961 203 Y CA -0.695 57.371 58.100 -0.057 0.000 1.215 203 Y CB 1.063 39.503 38.460 -0.034 0.000 1.120 203 Y HN 0.268 nan 8.280 nan 0.000 0.499 204 V N 6.250 125.935 119.914 -0.382 0.000 2.385 204 V HA 0.562 4.682 4.120 0.000 0.000 0.269 204 V C 0.182 176.035 176.094 -0.402 0.000 1.043 204 V CA -0.573 61.578 62.300 -0.248 0.000 0.906 204 V CB 0.723 32.502 31.823 -0.075 0.000 0.995 204 V HN 0.903 nan 8.190 nan 0.000 0.467 205 A N 6.950 129.655 122.820 -0.193 0.000 2.294 205 A HA 0.785 5.105 4.320 0.000 0.000 0.316 205 A C -0.587 176.983 177.584 -0.023 0.000 1.359 205 A CA -0.280 51.704 52.037 -0.088 0.000 0.956 205 A CB -0.213 18.856 19.000 0.115 0.000 1.155 205 A HN 0.711 nan 8.150 nan 0.000 0.544 206 I N 1.912 122.466 120.570 -0.026 0.000 2.362 206 I HA 0.567 4.737 4.170 0.000 0.000 0.289 206 I C 1.195 177.337 176.117 0.041 0.000 0.994 206 I CA 0.603 61.912 61.300 0.014 0.000 1.158 206 I CB 1.683 39.688 38.000 0.008 0.000 1.315 206 I HN 0.930 nan 8.210 nan 0.000 0.451 207 G N 3.592 112.426 108.800 0.057 0.000 2.168 207 G HA2 -0.279 3.681 3.960 0.000 0.000 0.263 207 G HA3 -0.279 3.681 3.960 0.000 0.000 0.263 207 G C 0.377 175.312 174.900 0.060 0.000 0.977 207 G CA 0.063 45.202 45.100 0.064 0.000 0.659 207 G HN 0.594 nan 8.290 nan 0.000 0.533 208 Q N -0.302 119.534 119.800 0.060 0.000 2.414 208 Q HA 0.524 4.864 4.340 0.000 0.000 0.206 208 Q C 0.628 176.663 176.000 0.059 0.000 1.058 208 Q CA -0.347 55.494 55.803 0.064 0.000 1.025 208 Q CB 0.443 29.231 28.738 0.083 0.000 1.196 208 Q HN 0.331 nan 8.270 nan 0.000 0.586 209 K N 0.794 121.227 120.400 0.055 0.000 2.227 209 K HA 0.163 4.483 4.320 0.000 0.000 0.280 209 K C 0.560 177.188 176.600 0.046 0.000 1.041 209 K CA -0.233 56.082 56.287 0.046 0.000 0.905 209 K CB 0.702 33.227 32.500 0.040 0.000 1.068 209 K HN 0.533 nan 8.250 nan 0.000 0.470 210 R N 1.215 121.740 120.500 0.042 0.000 2.153 210 R HA -0.192 4.148 4.340 0.000 0.000 0.252 210 R C 1.879 178.198 176.300 0.031 0.000 1.158 210 R CA 2.329 58.452 56.100 0.038 0.000 0.975 210 R CB -0.369 29.950 30.300 0.032 0.000 0.871 210 R HN 0.786 nan 8.270 nan 0.000 0.450 211 S N -0.065 115.651 115.700 0.027 0.000 2.399 211 S HA -0.122 4.348 4.470 0.000 0.000 0.231 211 S C 1.937 176.549 174.600 0.021 0.000 1.022 211 S CA 1.746 59.958 58.200 0.020 0.000 0.983 211 S CB -0.492 62.718 63.200 0.018 0.000 0.803 211 S HN 0.265 nan 8.310 nan 0.000 0.480 212 T N 2.508 117.081 114.554 0.031 0.000 2.746 212 T HA -0.028 4.322 4.350 0.000 0.000 0.267 212 T C 1.933 176.652 174.700 0.031 0.000 1.039 212 T CA 1.384 63.505 62.100 0.035 0.000 1.142 212 T CB -0.558 68.341 68.868 0.050 0.000 0.866 212 T HN 0.311 nan 8.240 nan 0.000 0.444 213 V N 1.753 121.694 119.914 0.045 0.000 2.358 213 V HA -0.129 3.991 4.120 0.000 0.000 0.246 213 V C 2.911 179.008 176.094 0.005 0.000 1.047 213 V CA 1.555 63.882 62.300 0.045 0.000 1.035 213 V CB -1.268 30.598 31.823 0.072 0.000 0.658 213 V HN 0.516 nan 8.190 nan 0.000 0.452 214 A N -0.837 121.986 122.820 0.005 0.000 1.902 214 A HA -0.234 4.086 4.320 0.000 0.000 0.217 214 A C 2.216 179.784 177.584 -0.026 0.000 1.181 214 A CA 1.550 53.582 52.037 -0.009 0.000 0.623 214 A CB -0.446 18.552 19.000 -0.003 0.000 0.818 214 A HN 0.498 nan 8.150 nan 0.000 0.443 215 Q N -0.746 119.041 119.800 -0.023 0.000 2.167 215 Q HA -0.086 4.254 4.340 0.000 0.000 0.202 215 Q C 2.100 178.063 176.000 -0.062 0.000 0.970 215 Q CA 0.754 56.536 55.803 -0.035 0.000 0.855 215 Q CB -0.463 28.263 28.738 -0.020 0.000 0.911 215 Q HN 0.611 nan 8.270 nan 0.000 0.438 216 L N 0.787 121.966 121.223 -0.073 0.000 1.994 216 L HA -0.129 4.211 4.340 0.000 0.000 0.208 216 L C 2.393 179.174 176.870 -0.150 0.000 1.071 216 L CA 1.916 56.675 54.840 -0.136 0.000 0.745 216 L CB -1.076 40.872 42.059 -0.185 0.000 0.892 216 L HN 0.188 nan 8.230 nan 0.000 0.431 217 V N -1.056 118.792 119.914 -0.109 0.000 2.515 217 V HA -0.241 3.879 4.120 0.000 0.000 0.250 217 V C 2.599 178.639 176.094 -0.090 0.000 1.058 217 V CA 2.038 64.279 62.300 -0.098 0.000 1.064 217 V CB -0.658 31.126 31.823 -0.065 0.000 0.675 217 V HN 0.531 nan 8.190 nan 0.000 0.461 218 K N 0.416 120.770 120.400 -0.077 0.000 2.097 218 K HA -0.245 4.075 4.320 0.000 0.000 0.206 218 K C 2.411 178.952 176.600 -0.098 0.000 1.049 218 K CA 1.891 58.133 56.287 -0.076 0.000 0.933 218 K CB -0.257 32.205 32.500 -0.063 0.000 0.717 218 K HN 0.515 nan 8.250 nan 0.000 0.442 219 R N 0.997 121.428 120.500 -0.114 0.000 2.075 219 R HA -0.009 4.331 4.340 0.000 0.000 0.232 219 R C 1.994 178.212 176.300 -0.136 0.000 1.126 219 R CA 1.404 57.416 56.100 -0.146 0.000 0.963 219 R CB -0.574 29.635 30.300 -0.152 0.000 0.858 219 R HN 0.273 nan 8.270 nan 0.000 0.435 220 L N -0.151 120.992 121.223 -0.133 0.000 2.141 220 L HA -0.088 4.252 4.340 0.000 0.000 0.209 220 L C 1.932 178.720 176.870 -0.136 0.000 1.094 220 L CA 1.685 56.440 54.840 -0.142 0.000 0.763 220 L CB -0.465 41.491 42.059 -0.171 0.000 0.908 220 L HN 0.308 nan 8.230 nan 0.000 0.437 221 T N -1.202 113.283 114.554 -0.115 0.000 2.812 221 T HA -0.125 4.225 4.350 0.000 0.000 0.264 221 T C 1.305 175.956 174.700 -0.082 0.000 1.042 221 T CA 1.153 63.196 62.100 -0.095 0.000 1.140 221 T CB -0.134 68.689 68.868 -0.076 0.000 0.870 221 T HN 0.287 nan 8.240 nan 0.000 0.445 222 D N 1.415 121.762 120.400 -0.089 0.000 2.312 222 D HA 0.115 4.755 4.640 0.000 0.000 0.211 222 D C 1.771 178.025 176.300 -0.077 0.000 0.964 222 D CA 0.444 54.395 54.000 -0.082 0.000 0.877 222 D CB -0.114 40.627 40.800 -0.098 0.000 0.924 222 D HN 0.426 nan 8.370 nan 0.000 0.515 223 A N 0.182 122.953 122.820 -0.082 0.000 2.308 223 A HA 0.112 4.432 4.320 0.000 0.000 0.217 223 A C 0.457 178.020 177.584 -0.035 0.000 1.216 223 A CA 0.203 52.206 52.037 -0.057 0.000 0.864 223 A CB 0.146 19.114 19.000 -0.053 0.000 0.902 223 A HN 0.013 nan 8.150 nan 0.000 0.499 224 D N -2.926 117.441 120.400 -0.054 0.000 2.907 224 D HA -0.192 4.448 4.640 0.000 0.000 0.226 224 D C 0.770 177.027 176.300 -0.072 0.000 1.141 224 D CA 1.063 55.038 54.000 -0.041 0.000 0.779 224 D CB -1.205 39.596 40.800 0.003 0.000 1.095 224 D HN 0.505 nan 8.370 nan 0.000 0.430 225 A N -0.890 121.809 122.820 -0.201 0.000 2.140 225 A HA 0.148 4.468 4.320 0.000 0.000 0.209 225 A C 2.037 179.129 177.584 -0.820 0.000 1.181 225 A CA 0.436 52.126 52.037 -0.577 0.000 0.824 225 A CB -0.029 18.786 19.000 -0.308 0.000 0.879 225 A HN 0.280 nan 8.150 nan 0.000 0.480 226 M N 1.417 120.783 119.600 -0.391 0.000 2.149 226 M HA -0.196 4.285 4.480 0.000 0.000 0.261 226 M C 2.181 178.329 176.300 -0.254 0.000 1.064 226 M CA 2.033 57.166 55.300 -0.279 0.000 1.102 226 M CB -0.888 31.622 32.600 -0.150 0.000 1.369 226 M HN 0.706 nan 8.290 nan 0.000 0.408 227 K N 0.341 120.613 120.400 -0.214 0.000 2.160 227 K HA -0.210 4.110 4.320 0.000 0.000 0.206 227 K C 1.096 177.728 176.600 0.053 0.000 1.047 227 K CA 1.993 58.253 56.287 -0.044 0.000 0.930 227 K CB -0.852 31.677 32.500 0.047 0.000 0.720 227 K HN 0.540 nan 8.250 nan 0.000 0.450 228 Y N 0.248 120.596 120.300 0.081 0.000 2.636 228 Y HA 0.448 4.998 4.550 0.000 0.000 0.260 228 Y C -0.348 175.626 175.900 0.123 0.000 1.177 228 Y CA -0.996 57.194 58.100 0.151 0.000 1.209 228 Y CB 0.009 38.531 38.460 0.104 0.000 1.166 228 Y HN -0.209 nan 8.280 nan 0.000 0.531 229 T N 2.658 117.164 114.554 -0.080 0.000 2.855 229 T HA 0.589 4.939 4.350 0.000 0.000 0.281 229 T C -0.393 174.322 174.700 0.025 0.000 1.007 229 T CA -0.460 61.623 62.100 -0.028 0.000 1.009 229 T CB 1.952 70.732 68.868 -0.147 0.000 0.983 229 T HN 0.140 nan 8.240 nan 0.000 0.455 230 I N 2.347 122.954 120.570 0.062 0.000 2.339 230 I HA 0.388 4.558 4.170 0.000 0.000 0.290 230 I C -0.511 175.648 176.117 0.070 0.000 0.994 230 I CA -1.039 60.301 61.300 0.066 0.000 1.191 230 I CB 1.613 39.669 38.000 0.093 0.000 1.343 230 I HN 0.241 nan 8.210 nan 0.000 0.458 231 V N 7.571 127.522 119.914 0.063 0.000 2.333 231 V HA 0.248 4.368 4.120 0.000 0.000 0.274 231 V C 0.074 176.214 176.094 0.076 0.000 1.028 231 V CA -0.568 61.791 62.300 0.098 0.000 0.851 231 V CB 1.638 33.509 31.823 0.080 0.000 1.000 231 V HN 0.403 nan 8.190 nan 0.000 0.456 232 V N 4.556 124.513 119.914 0.072 0.000 2.333 232 V HA 0.388 4.508 4.120 0.000 0.000 0.274 232 V C 0.342 176.463 176.094 0.044 0.000 1.028 232 V CA -0.060 62.264 62.300 0.041 0.000 0.851 232 V CB 1.597 33.432 31.823 0.021 0.000 1.000 232 V HN 0.814 nan 8.190 nan 0.000 0.456 233 S N 4.350 120.077 115.700 0.045 0.000 2.474 233 S HA 0.751 5.221 4.470 0.000 0.000 0.321 233 S C -0.058 174.567 174.600 0.040 0.000 1.080 233 S CA -0.246 57.984 58.200 0.051 0.000 1.106 233 S CB 0.939 64.175 63.200 0.061 0.000 0.984 233 S HN 0.988 nan 8.310 nan 0.000 0.464 234 A N 4.593 127.438 122.820 0.041 0.000 2.664 234 A HA 0.586 4.907 4.320 0.000 0.000 0.338 234 A C 0.438 178.056 177.584 0.057 0.000 1.280 234 A CA -0.713 51.355 52.037 0.051 0.000 0.809 234 A CB -0.021 19.012 19.000 0.055 0.000 1.114 234 A HN 0.797 nan 8.150 nan 0.000 0.479 235 T N -1.013 113.576 114.554 0.057 0.000 2.788 235 T HA 0.532 4.882 4.350 0.000 0.000 0.280 235 T C 1.588 176.323 174.700 0.058 0.000 0.984 235 T CA 0.001 62.135 62.100 0.057 0.000 0.972 235 T CB 1.153 70.052 68.868 0.052 0.000 1.039 235 T HN 0.976 nan 8.240 nan 0.000 0.530 236 A N 0.883 123.736 122.820 0.055 0.000 2.024 236 A HA -0.083 4.237 4.320 0.000 0.000 0.220 236 A C 2.409 180.023 177.584 0.049 0.000 1.164 236 A CA 1.902 53.971 52.037 0.053 0.000 0.643 236 A CB -1.378 17.650 19.000 0.047 0.000 0.806 236 A HN 1.034 nan 8.150 nan 0.000 0.451 237 S N -0.434 115.293 115.700 0.045 0.000 2.562 237 S HA 0.044 4.514 4.470 0.000 0.000 0.221 237 S C -0.052 174.577 174.600 0.048 0.000 0.975 237 S CA -0.104 58.121 58.200 0.041 0.000 0.918 237 S CB -0.224 62.996 63.200 0.034 0.000 0.772 237 S HN 0.441 nan 8.310 nan 0.000 0.531 238 D N 2.717 123.152 120.400 0.059 0.000 2.302 238 D HA 0.550 5.191 4.640 0.000 0.000 0.248 238 D C 0.340 176.692 176.300 0.085 0.000 1.094 238 D CA 0.015 54.059 54.000 0.072 0.000 0.897 238 D CB 1.301 42.148 40.800 0.080 0.000 1.200 238 D HN 0.375 nan 8.370 nan 0.000 0.429 239 A N 1.570 124.446 122.820 0.095 0.000 2.555 239 A HA 0.282 4.602 4.320 0.000 0.000 0.233 239 A C 1.544 179.208 177.584 0.133 0.000 1.060 239 A CA 0.472 52.569 52.037 0.099 0.000 0.759 239 A CB 0.113 19.172 19.000 0.099 0.000 0.995 239 A HN 0.660 nan 8.150 nan 0.000 0.506 240 A N 3.176 126.063 122.820 0.111 0.000 1.896 240 A HA -0.159 4.161 4.320 0.000 0.000 0.220 240 A C -0.051 177.664 177.584 0.218 0.000 1.206 240 A CA 2.386 54.503 52.037 0.134 0.000 0.647 240 A CB -1.934 17.111 19.000 0.077 0.000 0.828 240 A HN 0.670 nan 8.150 nan 0.000 0.455 241 P HA -0.122 nan 4.420 nan 0.000 0.218 241 P C 1.397 179.048 177.300 0.585 0.000 1.148 241 P CA 0.918 64.261 63.100 0.404 0.000 0.822 241 P CB -0.138 31.693 31.700 0.219 0.000 0.784 242 L N -0.906 120.569 121.223 0.420 0.000 2.027 242 L HA -0.205 4.135 4.340 0.000 0.000 0.206 242 L C 2.603 179.595 176.870 0.204 0.000 1.074 242 L CA 1.605 56.603 54.840 0.263 0.000 0.745 242 L CB -1.181 40.986 42.059 0.180 0.000 0.898 242 L HN -0.016 nan 8.230 nan 0.000 0.433 243 Q N -1.033 118.893 119.800 0.209 0.000 2.170 243 Q HA -0.258 4.082 4.340 0.000 0.000 0.203 243 Q C 2.115 178.243 176.000 0.213 0.000 0.976 243 Q CA 1.818 57.723 55.803 0.170 0.000 0.858 243 Q CB -0.294 28.538 28.738 0.157 0.000 0.907 243 Q HN 0.483 nan 8.270 nan 0.000 0.433 244 Y N 0.864 121.263 120.300 0.165 0.000 2.163 244 Y HA -0.202 4.348 4.550 0.000 0.000 0.288 244 Y C 1.873 177.911 175.900 0.230 0.000 1.136 244 Y CA 1.118 59.340 58.100 0.204 0.000 1.147 244 Y CB -0.212 38.411 38.460 0.271 0.000 0.987 244 Y HN 0.067 nan 8.280 nan 0.000 0.509 245 L N 0.406 121.691 121.223 0.103 0.000 2.179 245 L HA 0.118 4.458 4.340 0.000 0.000 0.208 245 L C 2.501 179.357 176.870 -0.024 0.000 1.096 245 L CA 1.579 56.397 54.840 -0.036 0.000 0.779 245 L CB -1.132 40.905 42.059 -0.036 0.000 0.922 245 L HN 0.278 nan 8.230 nan 0.000 0.443 246 A N 0.626 123.431 122.820 -0.025 0.000 1.903 246 A HA -0.187 4.133 4.320 0.000 0.000 0.219 246 A C -0.091 177.456 177.584 -0.062 0.000 1.191 246 A CA 2.260 54.277 52.037 -0.034 0.000 0.638 246 A CB -2.109 16.887 19.000 -0.007 0.000 0.823 246 A HN 0.415 nan 8.150 nan 0.000 0.451 247 P HA -0.144 nan 4.420 nan 0.000 0.216 247 P C 0.896 178.030 177.300 -0.276 0.000 1.153 247 P CA 1.300 64.241 63.100 -0.266 0.000 0.848 247 P CB -0.251 31.043 31.700 -0.676 0.000 0.787 248 Y N -0.229 119.966 120.300 -0.174 0.000 2.263 248 Y HA -0.085 4.465 4.550 0.000 0.000 0.292 248 Y C 2.628 178.487 175.900 -0.068 0.000 1.130 248 Y CA 1.228 59.239 58.100 -0.149 0.000 1.179 248 Y CB -1.384 36.941 38.460 -0.227 0.000 0.998 248 Y HN -0.083 nan 8.280 nan 0.000 0.532 249 S N -0.057 115.682 115.700 0.064 0.000 2.356 249 S HA -0.180 4.290 4.470 0.000 0.000 0.223 249 S C 2.424 177.052 174.600 0.047 0.000 1.032 249 S CA 1.320 59.537 58.200 0.028 0.000 1.005 249 S CB -1.051 62.139 63.200 -0.016 0.000 0.867 249 S HN 0.650 nan 8.310 nan 0.000 0.449 250 G N 0.003 108.838 108.800 0.059 0.000 2.422 250 G HA2 -0.231 3.729 3.960 0.000 0.000 0.218 250 G HA3 -0.231 3.729 3.960 0.000 0.000 0.218 250 G C 1.664 176.625 174.900 0.102 0.000 1.140 250 G CA 0.934 46.077 45.100 0.071 0.000 0.775 250 G HN 0.571 nan 8.290 nan 0.000 0.545 251 C N 0.365 119.752 119.300 0.146 0.000 2.432 251 C HA -0.028 4.432 4.460 0.000 0.000 0.277 251 C C 3.274 178.338 174.990 0.124 0.000 1.249 251 C CA 1.664 60.776 59.018 0.156 0.000 1.725 251 C CB -0.960 26.874 27.740 0.157 0.000 2.028 251 C HN 0.379 nan 8.230 nan 0.000 0.477 252 S N 0.459 116.221 115.700 0.102 0.000 2.359 252 S HA -0.240 4.230 4.470 0.000 0.000 0.223 252 S C 1.747 176.408 174.600 0.101 0.000 1.039 252 S CA 2.263 60.514 58.200 0.085 0.000 1.042 252 S CB -0.422 62.810 63.200 0.053 0.000 0.915 252 S HN 0.654 nan 8.310 nan 0.000 0.439 253 M N 0.659 120.315 119.600 0.094 0.000 2.202 253 M HA -0.099 4.381 4.480 0.000 0.000 0.262 253 M C 2.357 178.821 176.300 0.274 0.000 1.063 253 M CA 1.523 56.893 55.300 0.117 0.000 1.097 253 M CB -0.822 31.840 32.600 0.103 0.000 1.382 253 M HN 0.463 nan 8.290 nan 0.000 0.413 254 G N 0.060 109.010 108.800 0.250 0.000 2.394 254 G HA2 -0.147 3.813 3.960 0.000 0.000 0.214 254 G HA3 -0.147 3.813 3.960 0.000 0.000 0.214 254 G C 1.321 176.412 174.900 0.317 0.000 1.176 254 G CA 0.386 45.672 45.100 0.310 0.000 0.786 254 G HN 0.475 nan 8.290 nan 0.000 0.533 255 E N -0.408 119.914 120.200 0.203 0.000 2.171 255 E HA -0.234 4.116 4.350 0.000 0.000 0.197 255 E C 1.991 178.670 176.600 0.131 0.000 0.997 255 E CA 1.083 57.571 56.400 0.146 0.000 0.810 255 E CB -0.287 29.475 29.700 0.104 0.000 0.738 255 E HN 0.612 nan 8.360 nan 0.000 0.467 256 Y N 0.638 120.935 120.300 -0.006 0.000 2.165 256 Y HA -0.292 4.258 4.550 0.000 0.000 0.286 256 Y C 1.790 177.568 175.900 -0.204 0.000 1.155 256 Y CA 1.738 59.740 58.100 -0.162 0.000 1.164 256 Y CB -0.379 37.890 38.460 -0.318 0.000 0.978 256 Y HN -0.067 nan 8.280 nan 0.000 0.513 257 F N -0.043 119.899 119.950 -0.012 0.000 2.113 257 F HA -0.086 4.441 4.527 0.000 0.000 0.297 257 F C 2.755 178.481 175.800 -0.123 0.000 1.103 257 F CA 1.715 59.646 58.000 -0.115 0.000 1.248 257 F CB -0.903 38.113 39.000 0.027 0.000 0.999 257 F HN -0.137 nan 8.300 nan 0.000 0.475 258 R N 0.546 121.143 120.500 0.162 0.000 2.119 258 R HA -0.204 4.136 4.340 0.000 0.000 0.246 258 R C 0.732 177.034 176.300 0.003 0.000 1.146 258 R CA 2.091 58.237 56.100 0.076 0.000 0.962 258 R CB -0.418 29.933 30.300 0.086 0.000 0.863 258 R HN 0.234 nan 8.270 nan 0.000 0.442 259 D N -0.610 119.765 120.400 -0.042 0.000 2.342 259 D HA 0.041 4.681 4.640 0.000 0.000 0.221 259 D C -0.352 175.878 176.300 -0.116 0.000 1.101 259 D CA 0.309 54.282 54.000 -0.044 0.000 0.837 259 D CB 0.271 41.059 40.800 -0.018 0.000 0.938 259 D HN 0.270 nan 8.370 nan 0.000 0.508 260 N N -0.694 117.895 118.700 -0.184 0.000 2.571 260 N HA 0.232 4.972 4.740 0.000 0.000 0.298 260 N C 0.775 176.197 175.510 -0.146 0.000 1.671 260 N CA -0.174 52.748 53.050 -0.214 0.000 0.900 260 N CB 1.453 39.694 38.487 -0.409 0.000 1.365 260 N HN -0.038 nan 8.380 nan 0.000 0.493 261 G N 0.551 109.284 108.800 -0.111 0.000 2.244 261 G HA2 -0.379 3.581 3.960 0.000 0.000 0.274 261 G HA3 -0.379 3.581 3.960 0.000 0.000 0.274 261 G C 0.110 174.881 174.900 -0.215 0.000 1.002 261 G CA 0.942 45.963 45.100 -0.132 0.000 0.740 261 G HN 0.349 nan 8.290 nan 0.000 0.516 262 K N -0.989 119.315 120.400 -0.161 0.000 2.210 262 K HA 0.682 5.003 4.320 0.000 0.000 0.236 262 K C -0.262 176.167 176.600 -0.285 0.000 1.016 262 K CA -0.863 55.366 56.287 -0.097 0.000 0.913 262 K CB 0.860 33.545 32.500 0.308 0.000 1.141 262 K HN 0.426 nan 8.250 nan 0.000 0.462 263 H N -0.653 118.533 119.070 0.193 0.000 2.489 263 H HA 0.576 5.132 4.556 0.000 0.000 0.343 263 H C -1.127 174.234 175.328 0.055 0.000 1.086 263 H CA -0.796 55.303 56.048 0.084 0.000 1.198 263 H CB 1.924 31.679 29.762 -0.013 0.000 1.490 263 H HN 0.629 nan 8.280 nan 0.000 0.504 264 A N 2.774 125.669 122.820 0.123 0.000 2.413 264 A HA 0.638 4.958 4.320 0.000 0.000 0.307 264 A C -1.574 176.011 177.584 0.002 0.000 1.087 264 A CA -0.701 51.328 52.037 -0.013 0.000 0.750 264 A CB 1.321 20.264 19.000 -0.095 0.000 1.296 264 A HN 0.561 nan 8.150 nan 0.000 0.423 265 L N 1.848 123.053 121.223 -0.031 0.000 2.365 265 L HA 0.820 5.160 4.340 0.000 0.000 0.273 265 L C -1.156 175.669 176.870 -0.076 0.000 1.000 265 L CA -0.421 54.395 54.840 -0.039 0.000 0.819 265 L CB 1.330 43.377 42.059 -0.021 0.000 1.284 265 L HN 0.687 nan 8.230 nan 0.000 0.418 266 I N 5.247 125.722 120.570 -0.158 0.000 2.466 266 I HA 0.486 4.656 4.170 0.000 0.000 0.289 266 I C -1.161 174.686 176.117 -0.449 0.000 1.026 266 I CA -0.636 60.471 61.300 -0.321 0.000 1.078 266 I CB 1.609 39.340 38.000 -0.450 0.000 1.249 266 I HN 0.643 nan 8.210 nan 0.000 0.429 267 I N 7.646 127.991 120.570 -0.374 0.000 2.359 267 I HA 0.216 4.386 4.170 0.000 0.000 0.294 267 I C -1.190 174.642 176.117 -0.475 0.000 0.987 267 I CA -0.229 60.880 61.300 -0.317 0.000 1.225 267 I CB 1.047 38.997 38.000 -0.084 0.000 1.366 267 I HN 0.360 nan 8.210 nan 0.000 0.466 268 Y N 3.951 124.123 120.300 -0.213 0.000 2.842 268 Y HA 0.330 4.880 4.550 0.000 0.000 0.334 268 Y C -0.275 175.477 175.900 -0.246 0.000 1.019 268 Y CA -1.055 56.893 58.100 -0.253 0.000 1.258 268 Y CB 0.412 38.732 38.460 -0.234 0.000 1.106 268 Y HN 0.386 nan 8.280 nan 0.000 0.545 269 D N 3.265 123.537 120.400 -0.213 0.000 2.473 269 D HA 0.209 4.849 4.640 0.000 0.000 0.226 269 D C -1.113 175.134 176.300 -0.089 0.000 1.089 269 D CA -0.278 53.624 54.000 -0.163 0.000 0.883 269 D CB 0.343 40.974 40.800 -0.282 0.000 1.029 269 D HN 0.586 nan 8.370 nan 0.000 0.517 270 D N 1.035 121.417 120.400 -0.031 0.000 2.547 270 D HA 0.189 4.829 4.640 0.000 0.000 0.231 270 D C 0.951 177.232 176.300 -0.033 0.000 1.099 270 D CA -0.746 53.239 54.000 -0.025 0.000 0.901 270 D CB 0.973 41.774 40.800 0.002 0.000 1.478 270 D HN 0.129 nan 8.370 nan 0.000 0.471 271 L N 0.343 121.516 121.223 -0.084 0.000 2.478 271 L HA -0.050 4.290 4.340 0.000 0.000 0.223 271 L C 1.818 178.706 176.870 0.030 0.000 1.140 271 L CA 0.486 55.245 54.840 -0.135 0.000 0.842 271 L CB -0.296 41.479 42.059 -0.474 0.000 0.953 271 L HN 0.384 nan 8.230 nan 0.000 0.452 272 S N 0.130 115.856 115.700 0.042 0.000 2.348 272 S HA -0.181 4.289 4.470 0.000 0.000 0.221 272 S C 1.935 176.620 174.600 0.142 0.000 1.033 272 S CA 1.255 59.514 58.200 0.099 0.000 1.010 272 S CB -0.077 63.173 63.200 0.082 0.000 0.891 272 S HN 0.378 nan 8.310 nan 0.000 0.442 273 K N 1.013 121.479 120.400 0.111 0.000 2.063 273 K HA -0.151 4.169 4.320 0.000 0.000 0.208 273 K C 2.450 179.140 176.600 0.151 0.000 1.048 273 K CA 1.049 57.409 56.287 0.122 0.000 0.928 273 K CB -0.264 32.288 32.500 0.087 0.000 0.713 273 K HN 0.365 nan 8.250 nan 0.000 0.442 274 Q N 0.648 120.529 119.800 0.134 0.000 2.096 274 Q HA -0.177 4.163 4.340 0.000 0.000 0.204 274 Q C 2.005 178.162 176.000 0.262 0.000 0.982 274 Q CA 1.768 57.674 55.803 0.172 0.000 0.850 274 Q CB -0.089 28.704 28.738 0.092 0.000 0.901 274 Q HN 0.333 nan 8.270 nan 0.000 0.422 275 A N -0.192 122.788 122.820 0.266 0.000 1.969 275 A HA -0.092 4.228 4.320 0.000 0.000 0.218 275 A C 2.221 180.076 177.584 0.452 0.000 1.169 275 A CA 1.207 53.418 52.037 0.290 0.000 0.635 275 A CB -0.484 18.574 19.000 0.097 0.000 0.810 275 A HN 0.284 nan 8.150 nan 0.000 0.445 276 V N -0.263 119.876 119.914 0.375 0.000 2.307 276 V HA -0.235 3.885 4.120 0.000 0.000 0.245 276 V C 3.044 179.254 176.094 0.193 0.000 1.045 276 V CA 1.927 64.397 62.300 0.284 0.000 1.024 276 V CB -0.991 30.953 31.823 0.202 0.000 0.651 276 V HN 0.604 nan 8.190 nan 0.000 0.449 277 A N -1.212 121.733 122.820 0.209 0.000 1.972 277 A HA -0.254 4.066 4.320 0.000 0.000 0.219 277 A C 2.139 179.841 177.584 0.197 0.000 1.169 277 A CA 1.973 54.120 52.037 0.183 0.000 0.635 277 A CB -0.675 18.454 19.000 0.214 0.000 0.810 277 A HN 0.658 nan 8.150 nan 0.000 0.446 278 Y N 0.476 120.857 120.300 0.135 0.000 2.184 278 Y HA -0.147 4.403 4.550 0.000 0.000 0.290 278 Y C 2.441 178.356 175.900 0.026 0.000 1.129 278 Y CA 1.839 59.970 58.100 0.051 0.000 1.144 278 Y CB -0.551 37.997 38.460 0.146 0.000 0.995 278 Y HN 0.330 nan 8.280 nan 0.000 0.513 279 R N 0.485 120.981 120.500 -0.007 0.000 2.096 279 R HA -0.304 4.036 4.340 0.000 0.000 0.240 279 R C 2.461 178.660 176.300 -0.168 0.000 1.139 279 R CA 2.208 58.228 56.100 -0.133 0.000 0.952 279 R CB -0.525 29.712 30.300 -0.105 0.000 0.854 279 R HN 0.627 nan 8.270 nan 0.000 0.436 280 Q N 0.347 120.094 119.800 -0.088 0.000 2.014 280 Q HA -0.278 4.062 4.340 0.000 0.000 0.207 280 Q C 2.230 178.161 176.000 -0.114 0.000 0.993 280 Q CA 2.404 58.158 55.803 -0.081 0.000 0.850 280 Q CB -0.244 28.478 28.738 -0.027 0.000 0.916 280 Q HN 0.510 nan 8.270 nan 0.000 0.417 281 M N -0.249 119.275 119.600 -0.126 0.000 2.080 281 M HA -0.201 4.279 4.480 0.000 0.000 0.260 281 M C 2.348 178.522 176.300 -0.211 0.000 1.068 281 M CA 2.113 57.321 55.300 -0.153 0.000 1.109 281 M CB -0.264 32.239 32.600 -0.161 0.000 1.342 281 M HN 0.312 nan 8.290 nan 0.000 0.405 282 S N 0.579 116.070 115.700 -0.348 0.000 2.353 282 S HA -0.159 4.311 4.470 0.000 0.000 0.222 282 S C 1.801 176.281 174.600 -0.200 0.000 1.035 282 S CA 1.632 59.627 58.200 -0.341 0.000 1.025 282 S CB -0.493 62.361 63.200 -0.577 0.000 0.902 282 S HN 0.570 nan 8.310 nan 0.000 0.440 283 L N 0.909 122.024 121.223 -0.179 0.000 2.017 283 L HA -0.107 4.233 4.340 0.000 0.000 0.208 283 L C 2.375 179.189 176.870 -0.094 0.000 1.073 283 L CA 1.182 55.949 54.840 -0.122 0.000 0.745 283 L CB -0.563 41.427 42.059 -0.114 0.000 0.894 283 L HN 0.351 nan 8.230 nan 0.000 0.432 284 L N -0.540 120.627 121.223 -0.093 0.000 2.191 284 L HA -0.216 4.124 4.340 0.000 0.000 0.212 284 L C 2.144 178.974 176.870 -0.066 0.000 1.103 284 L CA 0.893 55.690 54.840 -0.071 0.000 0.769 284 L CB -0.300 41.719 42.059 -0.066 0.000 0.908 284 L HN 0.309 nan 8.230 nan 0.000 0.438 285 L N -0.132 121.044 121.223 -0.079 0.000 2.627 285 L HA 0.051 4.391 4.340 0.000 0.000 0.233 285 L C 0.530 177.370 176.870 -0.049 0.000 1.144 285 L CA -0.090 54.713 54.840 -0.062 0.000 0.892 285 L CB -0.069 41.947 42.059 -0.072 0.000 1.039 285 L HN 0.288 nan 8.230 nan 0.000 0.442 286 R N -0.304 120.164 120.500 -0.052 0.000 3.776 286 R HA -0.159 4.181 4.340 0.000 0.000 0.312 286 R C -0.128 176.148 176.300 -0.040 0.000 1.181 286 R CA 0.546 56.621 56.100 -0.042 0.000 0.836 286 R CB -2.315 27.968 30.300 -0.029 0.000 1.324 286 R HN 0.376 nan 8.270 nan 0.000 0.501 287 R N 1.434 121.901 120.500 -0.054 0.000 2.308 287 R HA 0.279 4.619 4.340 0.000 0.000 0.305 287 R C -1.973 174.300 176.300 -0.045 0.000 1.053 287 R CA -1.691 54.382 56.100 -0.044 0.000 0.957 287 R CB 0.666 30.934 30.300 -0.052 0.000 1.022 287 R HN -0.141 nan 8.270 nan 0.000 0.461 288 P HA 0.038 nan 4.420 nan 0.000 0.267 288 P C -2.314 174.972 177.300 -0.023 0.000 1.205 288 P CA -0.959 62.127 63.100 -0.024 0.000 0.765 288 P CB 0.066 31.758 31.700 -0.014 0.000 0.828 289 P HA 0.198 nan 4.420 nan 0.000 0.275 289 P C 0.233 177.527 177.300 -0.009 0.000 1.228 289 P CA 0.126 63.208 63.100 -0.030 0.000 0.786 289 P CB 1.059 32.727 31.700 -0.053 0.000 0.927 290 G N 1.731 110.541 108.800 0.016 0.000 3.039 290 G HA2 0.356 4.316 3.960 0.000 0.000 0.159 290 G HA3 0.356 4.316 3.960 0.000 0.000 0.159 290 G C -0.416 174.475 174.900 -0.015 0.000 1.284 290 G CA -0.954 44.155 45.100 0.016 0.000 0.996 290 G HN 0.508 nan 8.290 nan 0.000 0.592 291 R N 0.359 120.816 120.500 -0.072 0.000 2.587 291 R HA -0.016 4.324 4.340 0.000 0.000 0.268 291 R C 0.361 176.604 176.300 -0.095 0.000 0.978 291 R CA 1.116 57.084 56.100 -0.220 0.000 1.097 291 R CB -0.153 29.760 30.300 -0.644 0.000 0.917 291 R HN 0.707 nan 8.270 nan 0.000 0.414 292 E N 2.121 122.280 120.200 -0.068 0.000 2.551 292 E HA -0.379 3.971 4.350 0.000 0.000 0.251 292 E C 0.533 177.109 176.600 -0.041 0.000 1.210 292 E CA 0.534 56.956 56.400 0.036 0.000 0.725 292 E CB -0.934 28.899 29.700 0.223 0.000 1.290 292 E HN 0.825 nan 8.360 nan 0.000 0.413 293 A N -2.678 120.105 122.820 -0.062 0.000 4.030 293 A HA -0.316 4.004 4.320 0.000 0.000 0.261 293 A C 0.240 177.736 177.584 -0.146 0.000 0.920 293 A CA 1.642 53.599 52.037 -0.133 0.000 1.304 293 A CB -1.758 17.114 19.000 -0.213 0.000 1.035 293 A HN 0.393 nan 8.150 nan 0.000 0.829 294 Y N 1.100 121.428 120.300 0.047 0.000 2.480 294 Y HA 0.410 4.960 4.550 0.000 0.000 0.338 294 Y C -1.509 174.438 175.900 0.078 0.000 1.220 294 Y CA -0.992 57.163 58.100 0.092 0.000 1.430 294 Y CB 0.026 38.617 38.460 0.218 0.000 1.311 294 Y HN 0.236 nan 8.280 nan 0.000 0.575 295 P HA 0.009 nan 4.420 nan 0.000 0.270 295 P C 0.725 178.167 177.300 0.237 0.000 1.223 295 P CA 0.225 63.410 63.100 0.142 0.000 0.785 295 P CB 0.723 32.455 31.700 0.054 0.000 0.923 296 G N 1.623 110.536 108.800 0.189 0.000 2.440 296 G HA2 -0.223 3.737 3.960 0.000 0.000 0.218 296 G HA3 -0.223 3.737 3.960 0.000 0.000 0.218 296 G C 0.685 175.735 174.900 0.250 0.000 1.154 296 G CA 0.688 45.910 45.100 0.202 0.000 0.767 296 G HN 0.642 nan 8.290 nan 0.000 0.552 297 D N 1.154 121.720 120.400 0.275 0.000 2.400 297 D HA 0.058 4.698 4.640 0.000 0.000 0.243 297 D C 1.869 178.347 176.300 0.296 0.000 1.184 297 D CA -0.192 53.998 54.000 0.316 0.000 0.853 297 D CB -0.039 40.971 40.800 0.349 0.000 0.944 297 D HN 0.215 nan 8.370 nan 0.000 0.501 298 V N 0.007 120.081 119.914 0.267 0.000 2.490 298 V HA -0.216 3.904 4.120 0.000 0.000 0.250 298 V C 2.069 178.120 176.094 -0.072 0.000 1.061 298 V CA 1.377 63.734 62.300 0.095 0.000 1.064 298 V CB -1.015 30.847 31.823 0.065 0.000 0.670 298 V HN 0.264 nan 8.190 nan 0.000 0.461 299 F N 0.585 120.496 119.950 -0.066 0.000 2.075 299 F HA -0.256 4.271 4.527 0.000 0.000 0.297 299 F C 2.339 178.168 175.800 0.048 0.000 1.113 299 F CA 2.028 60.001 58.000 -0.046 0.000 1.218 299 F CB -0.670 38.324 39.000 -0.011 0.000 0.984 299 F HN 0.218 nan 8.300 nan 0.000 0.472 300 Y N 0.927 121.159 120.300 -0.113 0.000 2.256 300 Y HA -0.203 4.347 4.550 0.000 0.000 0.288 300 Y C 2.122 177.910 175.900 -0.187 0.000 1.155 300 Y CA 1.625 59.618 58.100 -0.178 0.000 1.203 300 Y CB -0.884 37.590 38.460 0.024 0.000 0.980 300 Y HN 0.296 nan 8.280 nan 0.000 0.530 301 L N -0.729 120.322 121.223 -0.288 0.000 2.083 301 L HA -0.201 4.139 4.340 0.000 0.000 0.209 301 L C 2.081 178.804 176.870 -0.245 0.000 1.083 301 L CA 2.159 56.776 54.840 -0.372 0.000 0.752 301 L CB -0.651 41.120 42.059 -0.481 0.000 0.899 301 L HN 0.317 nan 8.230 nan 0.000 0.433 302 H N -1.938 116.935 119.070 -0.328 0.000 2.486 302 H HA 0.006 4.562 4.556 0.000 0.000 0.287 302 H C 2.386 177.485 175.328 -0.382 0.000 1.010 302 H CA 0.633 56.470 56.048 -0.352 0.000 1.324 302 H CB 0.241 29.828 29.762 -0.291 0.000 1.446 302 H HN 0.534 nan 8.280 nan 0.000 0.537 303 S N 1.299 116.768 115.700 -0.384 0.000 2.354 303 S HA -0.251 4.219 4.470 0.000 0.000 0.219 303 S C 2.094 176.560 174.600 -0.224 0.000 1.035 303 S CA 1.205 59.139 58.200 -0.443 0.000 1.037 303 S CB -0.302 62.364 63.200 -0.891 0.000 0.956 303 S HN 0.289 nan 8.310 nan 0.000 0.428 304 R N 0.470 120.837 120.500 -0.223 0.000 2.133 304 R HA -0.164 4.176 4.340 0.000 0.000 0.245 304 R C 2.504 178.747 176.300 -0.095 0.000 1.137 304 R CA 1.933 57.937 56.100 -0.161 0.000 0.947 304 R CB -0.797 29.257 30.300 -0.409 0.000 0.865 304 R HN 0.543 nan 8.270 nan 0.000 0.437 305 L N 0.698 121.848 121.223 -0.121 0.000 2.012 305 L HA -0.173 4.167 4.340 0.000 0.000 0.210 305 L C 1.959 178.747 176.870 -0.136 0.000 1.073 305 L CA 1.805 56.550 54.840 -0.158 0.000 0.748 305 L CB -0.315 41.474 42.059 -0.450 0.000 0.891 305 L HN 0.243 nan 8.230 nan 0.000 0.431 306 L N -0.922 120.213 121.223 -0.146 0.000 2.240 306 L HA -0.058 4.282 4.340 0.000 0.000 0.211 306 L C 2.444 179.298 176.870 -0.026 0.000 1.106 306 L CA 0.520 55.315 54.840 -0.075 0.000 0.793 306 L CB -0.593 41.409 42.059 -0.096 0.000 0.927 306 L HN 0.293 nan 8.230 nan 0.000 0.446 307 E N 0.525 120.705 120.200 -0.034 0.000 2.333 307 E HA -0.176 4.174 4.350 0.000 0.000 0.198 307 E C 2.021 178.623 176.600 0.004 0.000 1.007 307 E CA 0.698 57.092 56.400 -0.009 0.000 0.845 307 E CB 0.045 29.742 29.700 -0.005 0.000 0.766 307 E HN 0.467 nan 8.360 nan 0.000 0.507 308 R N 0.208 120.715 120.500 0.012 0.000 2.280 308 R HA 0.064 4.404 4.340 0.000 0.000 0.207 308 R C 0.685 177.009 176.300 0.041 0.000 1.043 308 R CA 0.293 56.411 56.100 0.029 0.000 1.006 308 R CB 0.222 30.548 30.300 0.044 0.000 0.885 308 R HN -0.090 nan 8.270 nan 0.000 0.467 309 A N 0.969 123.815 122.820 0.043 0.000 2.260 309 A HA 0.706 5.026 4.320 0.000 0.000 0.308 309 A C -0.429 177.170 177.584 0.026 0.000 1.254 309 A CA -0.229 51.835 52.037 0.045 0.000 0.874 309 A CB 0.780 19.812 19.000 0.054 0.000 1.153 309 A HN 0.250 nan 8.150 nan 0.000 0.527 310 A N 2.228 125.063 122.820 0.026 0.000 2.564 310 A HA 0.766 5.086 4.320 0.000 0.000 0.291 310 A C -1.118 176.480 177.584 0.023 0.000 1.102 310 A CA -0.728 51.317 52.037 0.013 0.000 0.660 310 A CB 1.038 20.034 19.000 -0.007 0.000 1.283 310 A HN 0.681 nan 8.150 nan 0.000 0.430 311 K N 1.109 121.516 120.400 0.013 0.000 2.235 311 K HA 0.644 4.964 4.320 0.000 0.000 0.266 311 K C -0.670 175.939 176.600 0.014 0.000 0.980 311 K CA -0.490 55.814 56.287 0.029 0.000 0.849 311 K CB 0.582 33.094 32.500 0.020 0.000 1.098 311 K HN 0.623 nan 8.250 nan 0.000 0.445 312 M N 2.652 122.274 119.600 0.036 0.000 2.359 312 M HA 0.270 4.750 4.480 0.000 0.000 0.322 312 M C 0.390 176.727 176.300 0.062 0.000 1.166 312 M CA -0.904 54.409 55.300 0.021 0.000 1.067 312 M CB 0.708 33.340 32.600 0.053 0.000 1.523 312 M HN 0.720 nan 8.290 nan 0.000 0.467 313 N N 0.456 119.209 118.700 0.088 0.000 2.364 313 N HA 0.123 4.863 4.740 0.000 0.000 0.264 313 N C 0.104 175.708 175.510 0.156 0.000 1.263 313 N CA -0.283 52.843 53.050 0.126 0.000 0.959 313 N CB 0.414 38.986 38.487 0.141 0.000 1.204 313 N HN 0.401 nan 8.380 nan 0.000 0.550 314 D N -0.576 119.889 120.400 0.109 0.000 2.144 314 D HA -0.099 4.541 4.640 0.000 0.000 0.199 314 D C 1.637 177.975 176.300 0.063 0.000 0.984 314 D CA 1.672 55.716 54.000 0.074 0.000 0.834 314 D CB -0.603 40.224 40.800 0.046 0.000 0.955 314 D HN 0.712 nan 8.370 nan 0.000 0.465 315 A N -0.281 122.587 122.820 0.079 0.000 2.070 315 A HA -0.124 4.196 4.320 0.000 0.000 0.220 315 A C 1.438 178.929 177.584 -0.155 0.000 1.159 315 A CA 0.828 52.840 52.037 -0.042 0.000 0.656 315 A CB -0.567 18.385 19.000 -0.081 0.000 0.800 315 A HN 0.166 nan 8.150 nan 0.000 0.453 316 F N -1.531 118.415 119.950 -0.007 0.000 2.639 316 F HA 0.407 4.934 4.527 0.000 0.000 0.302 316 F C 1.672 177.458 175.800 -0.023 0.000 1.097 316 F CA 0.581 58.573 58.000 -0.013 0.000 1.294 316 F CB 0.739 39.734 39.000 -0.007 0.000 1.027 316 F HN 0.327 nan 8.300 nan 0.000 0.550 317 G N -0.597 108.262 108.800 0.097 0.000 2.218 317 G HA2 -0.115 3.845 3.960 0.000 0.000 0.216 317 G HA3 -0.115 3.845 3.960 0.000 0.000 0.216 317 G C 1.199 176.119 174.900 0.033 0.000 0.994 317 G CA -0.196 44.925 45.100 0.035 0.000 0.637 317 G HN 0.941 nan 8.290 nan 0.000 0.505 318 G N -0.200 108.646 108.800 0.076 0.000 2.203 318 G HA2 0.160 4.120 3.960 0.000 0.000 0.263 318 G HA3 0.160 4.120 3.960 0.000 0.000 0.263 318 G C 1.358 176.300 174.900 0.070 0.000 1.012 318 G CA 1.222 46.372 45.100 0.083 0.000 0.749 318 G HN 2.030 nan 8.290 nan 0.000 0.512 319 G N -0.812 107.982 108.800 -0.008 0.000 2.588 319 G HA2 0.772 4.732 3.960 0.000 0.000 0.281 319 G HA3 0.772 4.732 3.960 0.000 0.000 0.281 319 G C 0.243 175.189 174.900 0.076 0.000 1.236 319 G CA 0.776 45.803 45.100 -0.123 0.000 0.969 319 G HN 1.826 nan 8.290 nan 0.000 0.504 320 S N -1.640 114.153 115.700 0.156 0.000 2.550 320 S HA 0.560 5.030 4.470 0.000 0.000 0.270 320 S C -1.609 173.079 174.600 0.146 0.000 1.145 320 S CA -0.787 57.523 58.200 0.183 0.000 0.852 320 S CB 1.892 65.238 63.200 0.243 0.000 1.119 320 S HN 0.972 nan 8.310 nan 0.000 0.465 321 L N 2.222 123.501 121.223 0.094 0.000 2.342 321 L HA 0.649 4.989 4.340 0.000 0.000 0.276 321 L C -0.518 176.377 176.870 0.041 0.000 0.997 321 L CA 0.244 55.128 54.840 0.074 0.000 0.838 321 L CB 1.455 43.560 42.059 0.078 0.000 1.224 321 L HN 0.926 nan 8.230 nan 0.000 0.416 322 T N 4.246 118.812 114.554 0.019 0.000 2.806 322 T HA 0.788 5.138 4.350 0.000 0.000 0.290 322 T C -0.106 174.578 174.700 -0.027 0.000 0.966 322 T CA -0.207 61.890 62.100 -0.004 0.000 1.060 322 T CB 1.273 70.130 68.868 -0.019 0.000 0.927 322 T HN 0.749 nan 8.240 nan 0.000 0.485 323 A N 3.254 126.065 122.820 -0.015 0.000 2.337 323 A HA 0.778 5.098 4.320 0.000 0.000 0.329 323 A C -0.411 177.158 177.584 -0.025 0.000 1.146 323 A CA -0.774 51.243 52.037 -0.034 0.000 0.800 323 A CB 0.678 19.726 19.000 0.080 0.000 1.220 323 A HN 0.867 nan 8.150 nan 0.000 0.472 324 L N 3.674 124.857 121.223 -0.067 0.000 2.556 324 L HA 0.293 4.633 4.340 0.000 0.000 0.243 324 L C -2.372 174.498 176.870 0.000 0.000 1.331 324 L CA -1.632 53.194 54.840 -0.023 0.000 0.927 324 L CB 1.105 43.150 42.059 -0.024 0.000 1.219 324 L HN 0.500 nan 8.230 nan 0.000 0.490 325 P HA 0.028 nan 4.420 nan 0.000 0.267 325 P C -0.398 176.906 177.300 0.007 0.000 1.200 325 P CA 0.130 63.277 63.100 0.078 0.000 0.772 325 P CB 1.852 33.546 31.700 -0.010 0.000 0.855 326 V N 4.554 124.463 119.914 -0.008 0.000 2.495 326 V HA 0.388 4.508 4.120 0.000 0.000 0.298 326 V C 0.307 176.393 176.094 -0.014 0.000 1.031 326 V CA -0.613 61.687 62.300 -0.000 0.000 0.871 326 V CB 1.732 33.561 31.823 0.009 0.000 0.988 326 V HN 0.415 nan 8.190 nan 0.000 0.432 327 I N 3.546 124.121 120.570 0.009 0.000 2.498 327 I HA 0.427 4.597 4.170 0.000 0.000 0.290 327 I C 0.014 176.161 176.117 0.050 0.000 1.032 327 I CA -0.496 60.813 61.300 0.015 0.000 1.073 327 I CB 2.048 40.051 38.000 0.006 0.000 1.251 327 I HN 0.754 nan 8.210 nan 0.000 0.426 328 E N 5.298 125.530 120.200 0.054 0.000 2.115 328 E HA 0.359 4.709 4.350 0.000 0.000 0.282 328 E C -0.469 176.181 176.600 0.084 0.000 0.987 328 E CA -0.355 56.085 56.400 0.067 0.000 0.797 328 E CB 1.074 30.808 29.700 0.057 0.000 1.086 328 E HN 0.705 nan 8.360 nan 0.000 0.397 329 T N 2.112 116.732 114.554 0.109 0.000 2.788 329 T HA 0.267 4.617 4.350 0.000 0.000 0.280 329 T C 0.081 174.843 174.700 0.102 0.000 0.984 329 T CA -0.913 61.258 62.100 0.118 0.000 0.972 329 T CB 1.208 70.183 68.868 0.178 0.000 1.039 329 T HN 0.377 nan 8.240 nan 0.000 0.530 330 Q N 0.087 119.947 119.800 0.100 0.000 2.333 330 Q HA 0.541 4.881 4.340 0.000 0.000 0.268 330 Q C 0.403 176.455 176.000 0.087 0.000 1.007 330 Q CA -0.158 55.697 55.803 0.086 0.000 0.810 330 Q CB 1.389 30.176 28.738 0.083 0.000 1.264 330 Q HN 1.182 nan 8.270 nan 0.000 0.452 331 A N 2.263 125.132 122.820 0.080 0.000 2.826 331 A HA -0.185 4.135 4.320 0.000 0.000 0.274 331 A C 1.085 178.733 177.584 0.108 0.000 1.443 331 A CA 1.502 53.588 52.037 0.081 0.000 0.833 331 A CB -2.142 16.899 19.000 0.069 0.000 1.023 331 A HN 1.620 nan 8.150 nan 0.000 0.600 332 G N -1.404 107.484 108.800 0.146 0.000 2.179 332 G HA2 -0.160 3.800 3.960 0.000 0.000 0.257 332 G HA3 -0.160 3.800 3.960 0.000 0.000 0.257 332 G C -0.174 174.855 174.900 0.215 0.000 1.010 332 G CA 1.022 46.267 45.100 0.241 0.000 0.736 332 G HN 1.625 nan 8.290 nan 0.000 0.513 333 D N 0.270 120.743 120.400 0.123 0.000 2.428 333 D HA 0.447 5.087 4.640 0.000 0.000 0.221 333 D C 1.726 178.016 176.300 -0.016 0.000 1.123 333 D CA 0.109 54.139 54.000 0.051 0.000 0.869 333 D CB 0.906 41.736 40.800 0.050 0.000 1.032 333 D HN 0.442 nan 8.370 nan 0.000 0.506 334 V N 1.276 121.099 119.914 -0.153 0.000 3.217 334 V HA 0.036 4.156 4.120 0.000 0.000 0.264 334 V C 1.383 177.392 176.094 -0.142 0.000 1.135 334 V CA 0.498 62.640 62.300 -0.264 0.000 1.142 334 V CB -0.253 31.201 31.823 -0.615 0.000 0.754 334 V HN 0.331 nan 8.190 nan 0.000 0.484 335 S N 0.998 116.648 115.700 -0.083 0.000 2.685 335 S HA 0.677 5.147 4.470 0.000 0.000 0.240 335 S C 0.778 175.383 174.600 0.008 0.000 0.967 335 S CA 0.323 58.500 58.200 -0.038 0.000 1.009 335 S CB -0.331 62.853 63.200 -0.026 0.000 0.776 335 S HN 0.830 nan 8.310 nan 0.000 0.467 336 A N 0.110 122.944 122.820 0.022 0.000 2.256 336 A HA 0.632 4.952 4.320 0.000 0.000 0.318 336 A C 0.674 178.326 177.584 0.114 0.000 1.103 336 A CA -0.567 51.517 52.037 0.078 0.000 0.860 336 A CB 0.066 19.119 19.000 0.088 0.000 1.182 336 A HN 0.293 nan 8.150 nan 0.000 0.501 337 Y N 0.885 121.193 120.300 0.014 0.000 1.885 337 Y HA -0.340 4.210 4.550 0.000 0.000 0.233 337 Y C 1.869 177.769 175.900 0.002 0.000 1.104 337 Y CA 2.794 60.901 58.100 0.011 0.000 1.045 337 Y CB -0.869 37.608 38.460 0.027 0.000 0.906 337 Y HN 0.548 nan 8.280 nan 0.000 0.508 338 I N 0.302 120.809 120.570 -0.106 0.000 2.068 338 I HA -0.321 3.849 4.170 0.000 0.000 0.238 338 I C -0.557 175.498 176.117 -0.103 0.000 1.046 338 I CA 2.542 63.710 61.300 -0.220 0.000 1.306 338 I CB -2.129 35.771 38.000 -0.166 0.000 1.023 338 I HN 0.267 nan 8.210 nan 0.000 0.399 339 P HA -0.240 nan 4.420 nan 0.000 0.217 339 P C 1.721 178.997 177.300 -0.040 0.000 1.162 339 P CA 2.812 65.897 63.100 -0.026 0.000 0.901 339 P CB -0.525 31.165 31.700 -0.018 0.000 0.793 340 T N -4.567 109.962 114.554 -0.043 0.000 2.951 340 T HA -0.061 4.289 4.350 0.000 0.000 0.268 340 T C 1.714 176.397 174.700 -0.029 0.000 1.073 340 T CA 1.020 63.099 62.100 -0.036 0.000 1.134 340 T CB -1.014 67.839 68.868 -0.024 0.000 0.884 340 T HN -0.033 nan 8.240 nan 0.000 0.479 341 N N 1.529 120.186 118.700 -0.071 0.000 2.043 341 N HA -0.072 4.668 4.740 0.000 0.000 0.193 341 N C 1.919 177.488 175.510 0.099 0.000 1.037 341 N CA 1.376 54.425 53.050 -0.001 0.000 0.851 341 N CB -0.819 37.609 38.487 -0.098 0.000 1.027 341 N HN 0.340 nan 8.380 nan 0.000 0.422 342 V N 1.115 121.051 119.914 0.036 0.000 2.453 342 V HA -0.110 4.010 4.120 0.000 0.000 0.247 342 V C 2.199 178.299 176.094 0.010 0.000 1.048 342 V CA 0.987 63.294 62.300 0.013 0.000 1.049 342 V CB -0.437 31.355 31.823 -0.051 0.000 0.672 342 V HN 0.240 nan 8.190 nan 0.000 0.457 343 I N 1.560 122.131 120.570 0.002 0.000 2.264 343 I HA -0.239 3.931 4.170 0.000 0.000 0.248 343 I C 2.442 178.573 176.117 0.024 0.000 1.111 343 I CA 1.951 63.251 61.300 0.000 0.000 1.382 343 I CB -0.377 37.609 38.000 -0.022 0.000 1.060 343 I HN 0.484 nan 8.210 nan 0.000 0.418 344 S N -0.244 115.487 115.700 0.051 0.000 2.607 344 S HA 0.113 4.583 4.470 0.000 0.000 0.224 344 S C 1.553 176.235 174.600 0.136 0.000 0.969 344 S CA 0.279 58.527 58.200 0.080 0.000 0.927 344 S CB -0.345 62.900 63.200 0.075 0.000 0.772 344 S HN 0.433 nan 8.310 nan 0.000 0.533 345 I N 1.565 122.201 120.570 0.109 0.000 2.899 345 I HA 0.051 4.221 4.170 0.000 0.000 0.257 345 I C 1.716 177.851 176.117 0.030 0.000 1.115 345 I CA 0.673 62.019 61.300 0.077 0.000 1.451 345 I CB -0.407 37.594 38.000 0.001 0.000 1.251 345 I HN 0.362 nan 8.210 nan 0.000 0.456 346 T N -1.485 113.077 114.554 0.013 0.000 2.667 346 T HA 0.026 4.377 4.350 0.000 0.000 0.305 346 T C 0.286 174.994 174.700 0.013 0.000 1.022 346 T CA -0.262 61.841 62.100 0.006 0.000 0.995 346 T CB 0.427 69.295 68.868 -0.001 0.000 1.026 346 T HN 0.056 nan 8.240 nan 0.000 0.527 347 D N 0.924 121.330 120.400 0.010 0.000 3.071 347 D HA 0.448 5.088 4.640 0.000 0.000 0.259 347 D C 0.860 177.167 176.300 0.011 0.000 1.331 347 D CA 0.356 54.362 54.000 0.011 0.000 0.861 347 D CB -0.323 40.481 40.800 0.007 0.000 1.059 347 D HN 1.009 nan 8.370 nan 0.000 0.486 348 G N 1.447 110.255 108.800 0.012 0.000 2.408 348 G HA2 0.079 4.039 3.960 0.000 0.000 0.682 348 G HA3 0.079 4.039 3.960 0.000 0.000 0.682 348 G C -1.507 173.405 174.900 0.020 0.000 1.303 348 G CA -0.963 44.146 45.100 0.015 0.000 0.966 348 G HN 0.192 nan 8.290 nan 0.000 0.560 349 Q N -0.777 119.041 119.800 0.030 0.000 2.391 349 Q HA 0.633 4.973 4.340 0.000 0.000 0.279 349 Q C -1.476 174.570 176.000 0.076 0.000 1.028 349 Q CA -0.951 54.880 55.803 0.047 0.000 0.836 349 Q CB 1.603 30.364 28.738 0.038 0.000 1.414 349 Q HN 0.991 nan 8.270 nan 0.000 0.397 350 I N 2.665 123.289 120.570 0.090 0.000 2.306 350 I HA 0.312 4.482 4.170 0.000 0.000 0.288 350 I C -0.753 175.470 176.117 0.178 0.000 1.036 350 I CA -0.744 60.618 61.300 0.103 0.000 1.221 350 I CB 0.595 38.633 38.000 0.064 0.000 1.385 350 I HN 0.471 nan 8.210 nan 0.000 0.472 351 F N 8.202 128.163 119.950 0.018 0.000 2.410 351 F HA 0.567 5.094 4.527 0.000 0.000 0.349 351 F C -0.636 175.180 175.800 0.026 0.000 1.117 351 F CA -0.746 57.267 58.000 0.020 0.000 1.104 351 F CB 0.648 39.661 39.000 0.021 0.000 1.122 351 F HN 0.190 nan 8.300 nan 0.000 0.483 352 L N 5.131 126.096 121.223 -0.431 0.000 2.334 352 L HA 0.616 4.956 4.340 0.000 0.000 0.270 352 L C -0.785 175.672 176.870 -0.689 0.000 1.018 352 L CA -0.864 53.732 54.840 -0.407 0.000 0.811 352 L CB 1.824 43.782 42.059 -0.168 0.000 1.271 352 L HN 0.507 nan 8.230 nan 0.000 0.443 353 E N -0.843 119.118 120.200 -0.398 0.000 2.290 353 E HA 0.177 4.527 4.350 0.000 0.000 0.274 353 E C -0.029 176.506 176.600 -0.110 0.000 0.889 353 E CA -0.338 55.877 56.400 -0.308 0.000 0.760 353 E CB 2.153 31.701 29.700 -0.254 0.000 1.206 353 E HN 0.741 nan 8.360 nan 0.000 0.419 354 T N -0.879 113.628 114.554 -0.078 0.000 2.803 354 T HA -0.254 4.096 4.350 0.000 0.000 0.269 354 T C 1.539 176.319 174.700 0.132 0.000 1.052 354 T CA 1.544 63.628 62.100 -0.025 0.000 1.136 354 T CB 0.010 68.916 68.868 0.064 0.000 0.864 354 T HN 0.572 nan 8.240 nan 0.000 0.467 355 E N 1.320 121.594 120.200 0.124 0.000 2.031 355 E HA -0.122 4.228 4.350 0.000 0.000 0.193 355 E C 2.234 178.912 176.600 0.129 0.000 0.994 355 E CA 1.068 57.562 56.400 0.155 0.000 0.800 355 E CB -0.323 29.438 29.700 0.101 0.000 0.752 355 E HN 0.579 nan 8.360 nan 0.000 0.447 356 L N 0.111 121.374 121.223 0.067 0.000 2.012 356 L HA -0.166 4.174 4.340 0.000 0.000 0.210 356 L C 2.612 179.506 176.870 0.039 0.000 1.073 356 L CA 1.354 56.219 54.840 0.041 0.000 0.748 356 L CB -0.641 41.422 42.059 0.007 0.000 0.891 356 L HN 0.194 nan 8.230 nan 0.000 0.431 357 F N -0.040 119.829 119.950 -0.134 0.000 2.091 357 F HA -0.319 4.208 4.527 0.000 0.000 0.299 357 F C 2.352 178.014 175.800 -0.230 0.000 1.103 357 F CA 1.730 59.586 58.000 -0.240 0.000 1.228 357 F CB -0.348 38.415 39.000 -0.394 0.000 0.984 357 F HN -0.050 nan 8.300 nan 0.000 0.477 358 Y N 0.131 120.574 120.300 0.237 0.000 2.314 358 Y HA -0.068 4.482 4.550 0.000 0.000 0.293 358 Y C 2.271 178.194 175.900 0.039 0.000 1.129 358 Y CA 1.216 59.401 58.100 0.142 0.000 1.201 358 Y CB -0.778 37.769 38.460 0.144 0.000 0.999 358 Y HN -0.017 nan 8.280 nan 0.000 0.541 359 K N -0.718 119.776 120.400 0.157 0.000 2.360 359 K HA -0.029 4.291 4.320 0.000 0.000 0.201 359 K C 1.483 178.096 176.600 0.021 0.000 1.046 359 K CA 1.058 57.394 56.287 0.081 0.000 0.945 359 K CB -0.319 32.219 32.500 0.063 0.000 0.750 359 K HN 0.479 nan 8.250 nan 0.000 0.464 360 G N 0.212 108.984 108.800 -0.047 0.000 2.192 360 G HA2 -0.158 3.803 3.960 0.000 0.000 0.193 360 G HA3 -0.158 3.803 3.960 0.000 0.000 0.193 360 G C -0.017 174.804 174.900 -0.132 0.000 0.999 360 G CA -0.438 44.598 45.100 -0.106 0.000 0.659 360 G HN 0.089 nan 8.290 nan 0.000 0.503 361 I N 2.476 122.982 120.570 -0.107 0.000 2.349 361 I HA 0.282 4.452 4.170 0.000 0.000 0.302 361 I C 0.688 176.711 176.117 -0.158 0.000 1.180 361 I CA 0.353 61.600 61.300 -0.089 0.000 1.405 361 I CB -0.895 37.084 38.000 -0.035 0.000 1.474 361 I HN 0.175 nan 8.210 nan 0.000 0.632 362 R N 7.079 127.460 120.500 -0.198 0.000 2.480 362 R HA 0.447 4.787 4.340 0.000 0.000 0.306 362 R C -2.538 173.685 176.300 -0.128 0.000 0.958 362 R CA -1.762 54.200 56.100 -0.230 0.000 0.861 362 R CB 1.870 31.929 30.300 -0.402 0.000 1.171 362 R HN 0.226 nan 8.270 nan 0.000 0.445 363 P HA -0.003 nan 4.420 nan 0.000 0.268 363 P C -0.261 177.014 177.300 -0.042 0.000 1.204 363 P CA -0.104 62.963 63.100 -0.055 0.000 0.768 363 P CB 0.989 32.672 31.700 -0.029 0.000 0.842 364 A N 5.092 127.907 122.820 -0.008 0.000 2.900 364 A HA 0.139 4.459 4.320 0.000 0.000 0.246 364 A C 0.853 178.415 177.584 -0.038 0.000 1.725 364 A CA -0.279 51.754 52.037 -0.006 0.000 1.400 364 A CB -1.468 17.587 19.000 0.091 0.000 0.973 364 A HN 0.494 nan 8.150 nan 0.000 0.635 365 I N 1.115 121.671 120.570 -0.023 0.000 2.496 365 I HA 0.039 4.209 4.170 0.000 0.000 0.285 365 I C 0.482 176.601 176.117 0.004 0.000 1.080 365 I CA -0.323 60.971 61.300 -0.011 0.000 1.404 365 I CB 0.726 38.732 38.000 0.011 0.000 1.403 365 I HN 0.391 nan 8.210 nan 0.000 0.539 366 N N 6.446 125.159 118.700 0.022 0.000 2.500 366 N HA 0.107 4.847 4.740 0.000 0.000 0.236 366 N C 0.688 176.259 175.510 0.103 0.000 1.022 366 N CA -0.170 52.923 53.050 0.073 0.000 0.935 366 N CB 1.560 40.126 38.487 0.133 0.000 1.147 366 N HN 0.407 nan 8.380 nan 0.000 0.512 367 V N 3.768 123.729 119.914 0.079 0.000 2.332 367 V HA -0.197 3.923 4.120 0.000 0.000 0.248 367 V C 2.376 178.516 176.094 0.076 0.000 1.055 367 V CA 2.387 64.731 62.300 0.073 0.000 1.038 367 V CB -0.859 31.006 31.823 0.070 0.000 0.651 367 V HN 0.753 nan 8.190 nan 0.000 0.450 368 G N -0.352 108.495 108.800 0.079 0.000 2.402 368 G HA2 -0.166 3.794 3.960 0.000 0.000 0.216 368 G HA3 -0.166 3.794 3.960 0.000 0.000 0.216 368 G C 1.500 176.442 174.900 0.070 0.000 1.162 368 G CA 0.801 45.941 45.100 0.066 0.000 0.777 368 G HN 0.498 nan 8.290 nan 0.000 0.539 369 L N 0.893 122.182 121.223 0.109 0.000 2.446 369 L HA 0.158 4.498 4.340 0.000 0.000 0.219 369 L C 0.977 177.901 176.870 0.090 0.000 1.116 369 L CA -0.143 54.752 54.840 0.091 0.000 0.844 369 L CB -0.114 42.024 42.059 0.131 0.000 0.970 369 L HN 0.024 nan 8.230 nan 0.000 0.457 370 S N 0.362 116.133 115.700 0.117 0.000 2.580 370 S HA 0.453 4.923 4.470 0.000 0.000 0.274 370 S C -0.084 174.551 174.600 0.057 0.000 1.329 370 S CA -0.525 57.734 58.200 0.098 0.000 1.036 370 S CB 1.879 65.140 63.200 0.102 0.000 0.919 370 S HN 0.143 nan 8.310 nan 0.000 0.515 371 V N -0.389 119.552 119.914 0.044 0.000 3.232 371 V HA 0.900 5.020 4.120 0.000 0.000 0.303 371 V C -0.713 175.395 176.094 0.024 0.000 1.311 371 V CA -0.774 61.544 62.300 0.029 0.000 1.061 371 V CB 1.907 33.742 31.823 0.020 0.000 1.085 371 V HN 0.692 nan 8.190 nan 0.000 0.447 372 S N 0.411 116.121 115.700 0.017 0.000 2.519 372 S HA 0.569 5.039 4.470 0.000 0.000 0.309 372 S C 0.396 175.001 174.600 0.008 0.000 1.100 372 S CA -0.794 57.413 58.200 0.012 0.000 1.059 372 S CB 1.551 64.756 63.200 0.008 0.000 1.008 372 S HN 0.843 nan 8.310 nan 0.000 0.478 373 R N 3.270 123.775 120.500 0.007 0.000 2.320 373 R HA 0.168 4.508 4.340 0.000 0.000 0.211 373 R C 0.667 176.969 176.300 0.003 0.000 0.931 373 R CA 0.238 56.341 56.100 0.006 0.000 1.071 373 R CB 0.049 30.353 30.300 0.008 0.000 1.025 373 R HN 0.453 nan 8.270 nan 0.000 0.495 374 V N -0.481 119.433 119.914 0.000 0.000 3.307 374 V HA 0.178 4.298 4.120 0.000 0.000 0.244 374 V C 1.290 177.381 176.094 -0.005 0.000 1.196 374 V CA 0.955 63.252 62.300 -0.004 0.000 1.132 374 V CB 0.416 32.234 31.823 -0.008 0.000 0.875 374 V HN 0.609 nan 8.190 nan 0.000 0.468 375 G N 1.379 110.178 108.800 -0.003 0.000 2.575 375 G HA2 -0.369 3.591 3.960 0.000 0.000 0.267 375 G HA3 -0.369 3.591 3.960 0.000 0.000 0.267 375 G C 1.099 175.996 174.900 -0.006 0.000 1.264 375 G CA 0.932 46.030 45.100 -0.002 0.000 0.935 375 G HN 0.989 nan 8.290 nan 0.000 0.568 376 S N -0.270 115.427 115.700 -0.005 0.000 2.440 376 S HA 0.120 4.590 4.470 0.000 0.000 0.238 376 S C 2.547 177.140 174.600 -0.011 0.000 1.010 376 S CA 1.882 60.078 58.200 -0.007 0.000 0.972 376 S CB -0.508 62.690 63.200 -0.005 0.000 0.774 376 S HN 2.217 nan 8.310 nan 0.000 0.501 377 A N 0.826 123.639 122.820 -0.011 0.000 2.234 377 A HA 0.405 4.725 4.320 0.000 0.000 0.216 377 A C 2.048 179.618 177.584 -0.024 0.000 1.167 377 A CA 1.268 53.295 52.037 -0.016 0.000 0.698 377 A CB -0.843 18.149 19.000 -0.013 0.000 0.779 377 A HN 0.986 nan 8.150 nan 0.000 0.475 378 A N -1.595 121.210 122.820 -0.025 0.000 2.431 378 A HA 0.367 4.687 4.320 0.000 0.000 0.239 378 A C 0.722 178.283 177.584 -0.038 0.000 1.230 378 A CA -0.219 51.797 52.037 -0.036 0.000 0.928 378 A CB 0.196 19.176 19.000 -0.032 0.000 1.006 378 A HN 0.562 nan 8.150 nan 0.000 0.520 379 Q N 0.539 120.323 119.800 -0.027 0.000 2.215 379 Q HA 0.461 4.801 4.340 0.000 0.000 0.256 379 Q C 0.070 176.056 176.000 -0.023 0.000 0.972 379 Q CA -0.426 55.364 55.803 -0.022 0.000 0.889 379 Q CB 1.376 30.108 28.738 -0.010 0.000 1.281 379 Q HN 0.442 nan 8.270 nan 0.000 0.456 380 T N -1.284 113.258 114.554 -0.020 0.000 2.813 380 T HA 0.165 4.515 4.350 0.000 0.000 0.297 380 T C 0.904 175.600 174.700 -0.006 0.000 1.036 380 T CA -0.604 61.486 62.100 -0.017 0.000 1.044 380 T CB 0.753 69.613 68.868 -0.013 0.000 0.993 380 T HN 0.455 nan 8.240 nan 0.000 0.535 381 R N 1.135 121.632 120.500 -0.004 0.000 2.105 381 R HA 0.039 4.380 4.340 0.000 0.000 0.239 381 R C 2.716 179.024 176.300 0.013 0.000 1.135 381 R CA 1.720 57.822 56.100 0.003 0.000 0.967 381 R CB -1.568 28.734 30.300 0.003 0.000 0.861 381 R HN 0.856 nan 8.270 nan 0.000 0.442 382 A N 0.460 123.288 122.820 0.014 0.000 1.851 382 A HA -0.224 4.096 4.320 0.000 0.000 0.216 382 A C 2.125 179.730 177.584 0.036 0.000 1.195 382 A CA 1.953 54.007 52.037 0.027 0.000 0.622 382 A CB -0.554 18.460 19.000 0.022 0.000 0.831 382 A HN 0.318 nan 8.150 nan 0.000 0.444 383 M N -0.055 119.560 119.600 0.026 0.000 2.279 383 M HA -0.063 4.417 4.480 0.000 0.000 0.264 383 M C 1.809 178.121 176.300 0.020 0.000 1.062 383 M CA 2.147 57.462 55.300 0.027 0.000 1.099 383 M CB -0.437 32.173 32.600 0.018 0.000 1.394 383 M HN 0.424 nan 8.290 nan 0.000 0.426 384 K N -0.719 119.689 120.400 0.014 0.000 2.288 384 K HA -0.138 4.182 4.320 0.000 0.000 0.201 384 K C 1.789 178.397 176.600 0.013 0.000 1.048 384 K CA 1.158 57.450 56.287 0.009 0.000 0.956 384 K CB 0.032 32.534 32.500 0.004 0.000 0.746 384 K HN 0.563 nan 8.250 nan 0.000 0.461 385 Q N 0.091 119.905 119.800 0.025 0.000 2.016 385 Q HA -0.132 4.208 4.340 0.000 0.000 0.200 385 Q C 2.186 178.200 176.000 0.023 0.000 0.978 385 Q CA 1.943 57.764 55.803 0.030 0.000 0.833 385 Q CB -0.054 28.714 28.738 0.050 0.000 0.895 385 Q HN 0.303 nan 8.270 nan 0.000 0.427 386 V N -2.004 117.933 119.914 0.039 0.000 2.323 386 V HA 0.002 4.122 4.120 0.000 0.000 0.244 386 V C 2.023 178.114 176.094 -0.005 0.000 1.041 386 V CA 1.603 63.916 62.300 0.020 0.000 1.025 386 V CB -1.048 30.815 31.823 0.068 0.000 0.656 386 V HN 0.264 nan 8.190 nan 0.000 0.451 387 A N 0.776 123.598 122.820 0.004 0.000 2.169 387 A HA 0.322 4.642 4.320 0.000 0.000 0.212 387 A C 2.286 179.865 177.584 -0.008 0.000 1.153 387 A CA 1.106 53.141 52.037 -0.003 0.000 0.756 387 A CB -1.209 17.794 19.000 0.005 0.000 0.813 387 A HN 0.773 nan 8.150 nan 0.000 0.471 388 G N 0.919 109.715 108.800 -0.007 0.000 2.867 388 G HA2 -0.433 3.527 3.960 0.000 0.000 0.244 388 G HA3 -0.433 3.527 3.960 0.000 0.000 0.244 388 G C 1.419 176.313 174.900 -0.010 0.000 1.151 388 G CA 2.229 47.324 45.100 -0.009 0.000 0.750 388 G HN 1.019 nan 8.290 nan 0.000 0.652 389 T N -2.564 111.980 114.554 -0.017 0.000 3.174 389 T HA 0.491 4.841 4.350 0.000 0.000 0.269 389 T C 1.870 176.561 174.700 -0.014 0.000 1.017 389 T CA 0.596 62.687 62.100 -0.014 0.000 0.899 389 T CB 0.389 69.246 68.868 -0.019 0.000 1.077 389 T HN 0.234 nan 8.240 nan 0.000 0.552 390 M N 1.252 120.842 119.600 -0.016 0.000 2.065 390 M HA -0.094 4.386 4.480 0.000 0.000 0.259 390 M C 2.415 178.715 176.300 0.001 0.000 1.069 390 M CA 1.792 57.082 55.300 -0.016 0.000 1.110 390 M CB -0.189 32.400 32.600 -0.018 0.000 1.328 390 M HN 0.242 nan 8.290 nan 0.000 0.405 391 K N 0.240 120.644 120.400 0.007 0.000 2.001 391 K HA -0.198 4.122 4.320 0.000 0.000 0.214 391 K C 1.735 178.351 176.600 0.026 0.000 1.050 391 K CA 1.749 58.048 56.287 0.019 0.000 0.934 391 K CB -0.308 32.203 32.500 0.018 0.000 0.718 391 K HN 0.365 nan 8.250 nan 0.000 0.443 392 L N 0.517 121.750 121.223 0.017 0.000 2.141 392 L HA -0.150 4.190 4.340 0.000 0.000 0.209 392 L C 2.612 179.498 176.870 0.027 0.000 1.094 392 L CA 1.170 56.022 54.840 0.019 0.000 0.763 392 L CB -0.476 41.588 42.059 0.009 0.000 0.908 392 L HN 0.417 nan 8.230 nan 0.000 0.437 393 E N 1.003 121.217 120.200 0.022 0.000 2.031 393 E HA -0.228 4.122 4.350 0.000 0.000 0.193 393 E C 2.388 179.034 176.600 0.078 0.000 0.994 393 E CA 1.168 57.586 56.400 0.030 0.000 0.800 393 E CB -0.043 29.656 29.700 -0.002 0.000 0.752 393 E HN 0.450 nan 8.360 nan 0.000 0.447 394 L N 0.544 121.814 121.223 0.079 0.000 2.042 394 L HA -0.209 4.131 4.340 0.000 0.000 0.210 394 L C 2.737 179.714 176.870 0.178 0.000 1.076 394 L CA 1.108 56.041 54.840 0.154 0.000 0.749 394 L CB -0.586 41.535 42.059 0.102 0.000 0.893 394 L HN 0.272 nan 8.230 nan 0.000 0.432 395 A N -0.661 122.217 122.820 0.096 0.000 1.851 395 A HA -0.271 4.049 4.320 0.000 0.000 0.216 395 A C 2.203 179.816 177.584 0.048 0.000 1.195 395 A CA 1.584 53.658 52.037 0.062 0.000 0.622 395 A CB -0.621 18.402 19.000 0.038 0.000 0.831 395 A HN 0.388 nan 8.150 nan 0.000 0.444 396 Q N -1.534 118.298 119.800 0.053 0.000 2.112 396 Q HA -0.233 4.107 4.340 0.000 0.000 0.206 396 Q C 1.963 177.998 176.000 0.059 0.000 0.987 396 Q CA 2.138 57.964 55.803 0.038 0.000 0.858 396 Q CB -0.671 28.089 28.738 0.036 0.000 0.905 396 Q HN 0.904 nan 8.270 nan 0.000 0.420 397 Y N 1.312 121.610 120.300 -0.003 0.000 2.097 397 Y HA -0.243 4.307 4.550 0.000 0.000 0.282 397 Y C 2.266 178.174 175.900 0.013 0.000 1.152 397 Y CA 1.908 60.009 58.100 0.001 0.000 1.136 397 Y CB -0.392 38.065 38.460 -0.004 0.000 0.975 397 Y HN -0.036 nan 8.280 nan 0.000 0.498 398 R N 0.170 120.418 120.500 -0.421 0.000 2.091 398 R HA -0.192 4.148 4.340 0.000 0.000 0.238 398 R C 2.401 178.553 176.300 -0.247 0.000 1.136 398 R CA 1.553 57.379 56.100 -0.456 0.000 0.959 398 R CB -0.399 29.800 30.300 -0.168 0.000 0.856 398 R HN 0.410 nan 8.270 nan 0.000 0.437 399 E N 0.607 120.733 120.200 -0.124 0.000 2.106 399 E HA -0.127 4.224 4.350 0.000 0.000 0.192 399 E C 1.794 178.371 176.600 -0.040 0.000 0.984 399 E CA 1.101 57.463 56.400 -0.063 0.000 0.806 399 E CB 0.172 29.845 29.700 -0.047 0.000 0.750 399 E HN 0.137 nan 8.360 nan 0.000 0.458 400 V N 0.879 120.759 119.914 -0.057 0.000 2.719 400 V HA -0.101 4.019 4.120 0.000 0.000 0.252 400 V C 2.389 178.480 176.094 -0.005 0.000 1.065 400 V CA 1.332 63.640 62.300 0.013 0.000 1.086 400 V CB -0.397 31.443 31.823 0.028 0.000 0.700 400 V HN 0.293 nan 8.190 nan 0.000 0.467 401 A N -0.066 122.664 122.820 -0.150 0.000 1.970 401 A HA 0.098 4.418 4.320 0.000 0.000 0.216 401 A C 2.378 179.919 177.584 -0.070 0.000 1.170 401 A CA 1.511 53.454 52.037 -0.157 0.000 0.645 401 A CB -0.439 18.337 19.000 -0.373 0.000 0.816 401 A HN 0.499 nan 8.150 nan 0.000 0.447 402 A N -0.817 121.978 122.820 -0.041 0.000 1.855 402 A HA -0.032 4.288 4.320 0.000 0.000 0.215 402 A C 1.987 179.636 177.584 0.108 0.000 1.191 402 A CA 1.556 53.613 52.037 0.033 0.000 0.613 402 A CB -0.805 18.219 19.000 0.040 0.000 0.829 402 A HN 0.609 nan 8.150 nan 0.000 0.442 403 F N 0.985 120.906 119.950 -0.047 0.000 2.202 403 F HA -0.008 4.519 4.527 0.000 0.000 0.301 403 F C 1.987 177.660 175.800 -0.212 0.000 1.082 403 F CA 0.944 58.910 58.000 -0.057 0.000 1.313 403 F CB -0.141 38.815 39.000 -0.072 0.000 1.024 403 F HN 0.191 nan 8.300 nan 0.000 0.495 404 A N -0.284 122.401 122.820 -0.225 0.000 2.532 404 A HA 0.139 4.459 4.320 0.000 0.000 0.273 404 A C 1.474 178.892 177.584 -0.278 0.000 1.342 404 A CA -0.260 51.509 52.037 -0.446 0.000 0.929 404 A CB -0.886 17.977 19.000 -0.228 0.000 1.051 404 A HN 0.487 nan 8.150 nan 0.000 0.521 405 Q N -0.213 119.538 119.800 -0.082 0.000 2.594 405 Q HA 0.031 4.371 4.340 0.000 0.000 0.219 405 Q C -0.677 175.478 176.000 0.259 0.000 0.980 405 Q CA 0.493 56.365 55.803 0.114 0.000 0.962 405 Q CB -0.494 28.346 28.738 0.170 0.000 0.987 405 Q HN 0.846 nan 8.270 nan 0.000 0.553 406 F N -5.979 113.911 119.950 -0.100 0.000 2.678 406 F HA 0.494 5.021 4.527 0.000 0.000 0.308 406 F C 0.265 176.005 175.800 -0.099 0.000 1.118 406 F CA -1.870 56.075 58.000 -0.092 0.000 0.959 406 F CB 0.265 39.203 39.000 -0.102 0.000 1.305 406 F HN -0.248 nan 8.300 nan 0.000 0.443 407 G N 0.960 109.756 108.800 -0.007 0.000 2.819 407 G HA2 0.191 4.151 3.960 0.000 0.000 0.272 407 G HA3 0.191 4.151 3.960 0.000 0.000 0.272 407 G C 0.039 174.845 174.900 -0.157 0.000 0.701 407 G CA -0.061 44.987 45.100 -0.086 0.000 2.095 407 G HN 0.651 nan 8.290 nan 0.000 0.577 408 S N 2.509 117.964 115.700 -0.409 0.000 3.305 408 S HA 0.055 4.525 4.470 0.000 0.000 0.248 408 S C 0.915 175.406 174.600 -0.181 0.000 1.288 408 S CA 0.394 58.351 58.200 -0.406 0.000 1.249 408 S CB -0.467 62.249 63.200 -0.806 0.000 1.116 408 S HN 0.914 nan 8.310 nan 0.000 0.465 409 D N 0.127 120.469 120.400 -0.097 0.000 2.735 409 D HA -0.239 4.401 4.640 0.000 0.000 0.235 409 D C -0.521 175.754 176.300 -0.041 0.000 1.175 409 D CA 0.231 54.203 54.000 -0.047 0.000 0.683 409 D CB -1.743 39.045 40.800 -0.020 0.000 1.008 409 D HN 0.399 nan 8.370 nan 0.000 0.416 410 L N 1.753 122.944 121.223 -0.054 0.000 2.654 410 L HA -0.023 4.317 4.340 0.000 0.000 0.271 410 L C 1.697 178.559 176.870 -0.013 0.000 1.169 410 L CA 0.278 55.098 54.840 -0.033 0.000 0.947 410 L CB 0.108 42.144 42.059 -0.038 0.000 1.232 410 L HN 0.246 nan 8.230 nan 0.000 0.486 411 D N 3.123 123.522 120.400 -0.002 0.000 2.352 411 D HA -0.005 4.635 4.640 0.000 0.000 0.238 411 D C 0.990 177.289 176.300 -0.001 0.000 1.286 411 D CA 0.066 54.066 54.000 0.000 0.000 0.923 411 D CB 0.967 41.770 40.800 0.005 0.000 1.146 411 D HN 0.473 nan 8.370 nan 0.000 0.471 412 A N 0.167 122.985 122.820 -0.003 0.000 1.969 412 A HA 0.031 4.351 4.320 0.000 0.000 0.218 412 A C 2.214 179.795 177.584 -0.006 0.000 1.169 412 A CA 2.232 54.265 52.037 -0.006 0.000 0.635 412 A CB -0.968 18.027 19.000 -0.008 0.000 0.810 412 A HN 0.687 nan 8.150 nan 0.000 0.445 413 A N -0.032 122.786 122.820 -0.004 0.000 1.858 413 A HA -0.119 4.201 4.320 0.000 0.000 0.216 413 A C 2.490 180.077 177.584 0.004 0.000 1.190 413 A CA 2.659 54.694 52.037 -0.004 0.000 0.617 413 A CB -1.477 17.521 19.000 -0.003 0.000 0.827 413 A HN 0.749 nan 8.150 nan 0.000 0.443 414 T N -2.270 112.291 114.554 0.013 0.000 2.821 414 T HA -0.205 4.145 4.350 0.000 0.000 0.267 414 T C 1.963 176.681 174.700 0.029 0.000 1.046 414 T CA 1.550 63.667 62.100 0.027 0.000 1.139 414 T CB -0.421 68.468 68.868 0.034 0.000 0.871 414 T HN 0.557 nan 8.240 nan 0.000 0.454 415 Q N -0.074 119.734 119.800 0.013 0.000 2.167 415 Q HA -0.157 4.183 4.340 0.000 0.000 0.202 415 Q C 2.603 178.605 176.000 0.004 0.000 0.970 415 Q CA 0.985 56.794 55.803 0.009 0.000 0.855 415 Q CB -0.108 28.629 28.738 -0.001 0.000 0.911 415 Q HN 0.459 nan 8.270 nan 0.000 0.438 416 Q N 0.472 120.269 119.800 -0.005 0.000 2.016 416 Q HA -0.150 4.190 4.340 0.000 0.000 0.200 416 Q C 2.196 178.181 176.000 -0.026 0.000 0.978 416 Q CA 1.242 57.032 55.803 -0.022 0.000 0.833 416 Q CB -0.463 28.257 28.738 -0.030 0.000 0.895 416 Q HN 0.457 nan 8.270 nan 0.000 0.427 417 L N 0.632 121.852 121.223 -0.005 0.000 2.081 417 L HA -0.176 4.164 4.340 0.000 0.000 0.212 417 L C 2.119 179.011 176.870 0.037 0.000 1.080 417 L CA 1.676 56.522 54.840 0.010 0.000 0.754 417 L CB -0.706 41.381 42.059 0.046 0.000 0.893 417 L HN 0.215 nan 8.230 nan 0.000 0.433 418 L N -0.866 120.412 121.223 0.092 0.000 2.141 418 L HA -0.133 4.207 4.340 0.000 0.000 0.209 418 L C 2.375 179.249 176.870 0.006 0.000 1.094 418 L CA 1.315 56.258 54.840 0.171 0.000 0.763 418 L CB -0.713 41.440 42.059 0.158 0.000 0.908 418 L HN 0.373 nan 8.230 nan 0.000 0.437 419 S N -0.934 114.742 115.700 -0.040 0.000 2.414 419 S HA -0.031 4.439 4.470 0.000 0.000 0.227 419 S C 2.020 176.532 174.600 -0.147 0.000 1.022 419 S CA 0.337 58.491 58.200 -0.076 0.000 0.958 419 S CB -0.077 63.090 63.200 -0.056 0.000 0.797 419 S HN 0.302 nan 8.310 nan 0.000 0.493 420 R N 1.647 122.043 120.500 -0.174 0.000 2.070 420 R HA 0.016 4.356 4.340 0.000 0.000 0.232 420 R C 2.690 178.784 176.300 -0.343 0.000 1.138 420 R CA 1.676 57.647 56.100 -0.215 0.000 0.936 420 R CB -1.584 28.604 30.300 -0.187 0.000 0.839 420 R HN 0.494 nan 8.270 nan 0.000 0.429 421 G N 0.612 109.047 108.800 -0.610 0.000 2.529 421 G HA2 -0.262 3.698 3.960 0.000 0.000 0.219 421 G HA3 -0.262 3.698 3.960 0.000 0.000 0.219 421 G C 1.580 175.991 174.900 -0.816 0.000 1.177 421 G CA 1.528 45.910 45.100 -1.196 0.000 0.773 421 G HN 0.240 nan 8.290 nan 0.000 0.573 422 V N 1.083 120.657 119.914 -0.566 0.000 2.392 422 V HA -0.190 3.930 4.120 0.000 0.000 0.249 422 V C 2.950 178.963 176.094 -0.135 0.000 1.059 422 V CA 2.011 64.207 62.300 -0.174 0.000 1.051 422 V CB -0.492 31.311 31.823 -0.034 0.000 0.658 422 V HN 0.302 nan 8.190 nan 0.000 0.455 423 R N -0.063 120.341 120.500 -0.160 0.000 2.073 423 R HA 0.068 4.408 4.340 0.000 0.000 0.229 423 R C 2.286 178.523 176.300 -0.105 0.000 1.120 423 R CA 1.015 57.048 56.100 -0.111 0.000 0.967 423 R CB -0.667 29.561 30.300 -0.120 0.000 0.862 423 R HN 0.437 nan 8.270 nan 0.000 0.436 424 L N 0.574 121.707 121.223 -0.150 0.000 2.083 424 L HA -0.150 4.190 4.340 0.000 0.000 0.209 424 L C 2.353 179.181 176.870 -0.071 0.000 1.083 424 L CA 1.470 56.243 54.840 -0.112 0.000 0.752 424 L CB -0.906 41.073 42.059 -0.132 0.000 0.899 424 L HN 0.178 nan 8.230 nan 0.000 0.433 425 T N -0.775 113.733 114.554 -0.077 0.000 2.684 425 T HA -0.175 4.175 4.350 0.000 0.000 0.267 425 T C 1.769 176.461 174.700 -0.013 0.000 1.036 425 T CA 1.292 63.380 62.100 -0.020 0.000 1.148 425 T CB -0.152 68.726 68.868 0.016 0.000 0.863 425 T HN 0.313 nan 8.240 nan 0.000 0.436 426 E N 0.951 121.141 120.200 -0.017 0.000 2.153 426 E HA 0.004 4.354 4.350 0.000 0.000 0.194 426 E C 2.243 178.845 176.600 0.004 0.000 0.988 426 E CA 0.634 57.033 56.400 -0.001 0.000 0.811 426 E CB -0.360 29.344 29.700 0.006 0.000 0.746 426 E HN 0.473 nan 8.360 nan 0.000 0.466 427 L N 0.201 121.422 121.223 -0.003 0.000 2.156 427 L HA -0.069 4.271 4.340 0.000 0.000 0.208 427 L C 2.303 179.176 176.870 0.006 0.000 1.095 427 L CA 0.490 55.337 54.840 0.010 0.000 0.770 427 L CB -0.182 41.880 42.059 0.007 0.000 0.914 427 L HN 0.062 nan 8.230 nan 0.000 0.439 428 L N -0.610 120.611 121.223 -0.004 0.000 2.552 428 L HA -0.045 4.295 4.340 0.000 0.000 0.227 428 L C 0.911 177.775 176.870 -0.011 0.000 1.146 428 L CA 0.322 55.160 54.840 -0.004 0.000 0.858 428 L CB -0.381 41.676 42.059 -0.002 0.000 0.969 428 L HN 0.153 nan 8.230 nan 0.000 0.451 429 K N 0.767 121.159 120.400 -0.014 0.000 2.219 429 K HA 0.275 4.595 4.320 0.000 0.000 0.258 429 K C -0.115 176.468 176.600 -0.029 0.000 1.008 429 K CA 0.108 56.377 56.287 -0.030 0.000 0.928 429 K CB 0.714 33.194 32.500 -0.033 0.000 0.983 429 K HN -0.053 nan 8.250 nan 0.000 0.484 430 Q N -0.265 119.507 119.800 -0.045 0.000 2.545 430 Q HA 0.310 4.650 4.340 0.000 0.000 0.273 430 Q C -1.117 174.843 176.000 -0.066 0.000 0.975 430 Q CA -0.570 55.208 55.803 -0.042 0.000 0.876 430 Q CB 1.642 30.360 28.738 -0.034 0.000 1.472 430 Q HN 0.779 nan 8.270 nan 0.000 0.389 431 G N 1.206 109.970 108.800 -0.059 0.000 2.532 431 G HA2 0.478 4.438 3.960 0.000 0.000 0.291 431 G HA3 0.478 4.438 3.960 0.000 0.000 0.291 431 G C -0.856 173.977 174.900 -0.113 0.000 1.349 431 G CA -0.272 44.781 45.100 -0.078 0.000 1.038 431 G HN 0.562 nan 8.290 nan 0.000 0.518 432 Q N -1.810 117.888 119.800 -0.170 0.000 2.248 432 Q HA 0.441 4.781 4.340 0.000 0.000 0.263 432 Q C -1.110 174.763 176.000 -0.211 0.000 1.007 432 Q CA -0.758 54.830 55.803 -0.358 0.000 0.877 432 Q CB 1.823 30.060 28.738 -0.835 0.000 1.315 432 Q HN 0.517 nan 8.270 nan 0.000 0.454 433 Y N -1.405 118.891 120.300 -0.006 0.000 4.644 433 Y HA -0.227 4.323 4.550 0.000 0.000 0.241 433 Y C -0.327 175.564 175.900 -0.014 0.000 1.077 433 Y CA 0.583 58.676 58.100 -0.011 0.000 2.080 433 Y CB -2.200 36.252 38.460 -0.013 0.000 1.613 433 Y HN 0.431 nan 8.280 nan 0.000 0.686 434 S N -0.413 115.331 115.700 0.075 0.000 2.605 434 S HA 0.354 4.824 4.470 0.000 0.000 0.142 434 S C -2.509 172.097 174.600 0.010 0.000 1.452 434 S CA -0.976 57.248 58.200 0.040 0.000 1.240 434 S CB 1.324 64.542 63.200 0.030 0.000 1.538 434 S HN -0.031 nan 8.310 nan 0.000 0.394 435 P HA 0.094 nan 4.420 nan 0.000 0.264 435 P C -0.331 176.964 177.300 -0.009 0.000 1.183 435 P CA 0.254 63.355 63.100 0.001 0.000 0.763 435 P CB 0.338 32.044 31.700 0.009 0.000 0.807 436 M N 1.683 121.281 119.600 -0.004 0.000 2.314 436 M HA 0.431 4.911 4.480 0.000 0.000 0.342 436 M C 0.670 176.969 176.300 -0.003 0.000 1.171 436 M CA -0.670 54.625 55.300 -0.008 0.000 1.098 436 M CB 1.282 33.882 32.600 -0.001 0.000 1.559 436 M HN 0.346 nan 8.290 nan 0.000 0.459 437 A N 1.777 124.588 122.820 -0.015 0.000 2.407 437 A HA 0.166 4.486 4.320 0.000 0.000 0.248 437 A C 0.919 178.514 177.584 0.019 0.000 1.082 437 A CA -0.429 51.606 52.037 -0.004 0.000 0.785 437 A CB 0.087 19.071 19.000 -0.026 0.000 1.020 437 A HN 0.948 nan 8.150 nan 0.000 0.489 438 I N 0.990 121.586 120.570 0.044 0.000 2.264 438 I HA -0.235 3.935 4.170 0.000 0.000 0.248 438 I C 2.404 178.535 176.117 0.024 0.000 1.111 438 I CA 2.489 63.812 61.300 0.038 0.000 1.382 438 I CB -0.328 37.699 38.000 0.044 0.000 1.060 438 I HN 0.837 nan 8.210 nan 0.000 0.418 439 E N 0.436 120.643 120.200 0.013 0.000 2.150 439 E HA -0.257 4.093 4.350 0.000 0.000 0.193 439 E C 1.724 178.323 176.600 -0.002 0.000 0.985 439 E CA 1.606 58.007 56.400 0.001 0.000 0.814 439 E CB -0.746 28.946 29.700 -0.014 0.000 0.752 439 E HN 0.682 nan 8.360 nan 0.000 0.466 440 E N 0.726 120.922 120.200 -0.007 0.000 2.216 440 E HA -0.095 4.255 4.350 0.000 0.000 0.192 440 E C 2.230 178.848 176.600 0.031 0.000 0.988 440 E CA 0.572 56.967 56.400 -0.008 0.000 0.834 440 E CB -0.005 29.677 29.700 -0.028 0.000 0.772 440 E HN 0.387 nan 8.360 nan 0.000 0.479 441 Q N 0.332 120.151 119.800 0.031 0.000 2.079 441 Q HA -0.112 4.228 4.340 0.000 0.000 0.200 441 Q C 2.362 178.402 176.000 0.066 0.000 0.974 441 Q CA 1.235 57.063 55.803 0.043 0.000 0.840 441 Q CB 0.125 28.883 28.738 0.033 0.000 0.898 441 Q HN 0.154 nan 8.270 nan 0.000 0.430 442 V N 0.865 120.819 119.914 0.065 0.000 2.427 442 V HA -0.250 3.871 4.120 0.000 0.000 0.248 442 V C 2.205 178.384 176.094 0.143 0.000 1.051 442 V CA 1.682 64.038 62.300 0.092 0.000 1.048 442 V CB -0.984 30.879 31.823 0.067 0.000 0.666 442 V HN 0.361 nan 8.190 nan 0.000 0.456 443 A N 0.688 123.583 122.820 0.125 0.000 1.858 443 A HA -0.166 4.154 4.320 0.000 0.000 0.216 443 A C 2.476 180.247 177.584 0.312 0.000 1.190 443 A CA 2.167 54.331 52.037 0.211 0.000 0.617 443 A CB -0.900 18.224 19.000 0.208 0.000 0.827 443 A HN 0.605 nan 8.150 nan 0.000 0.443 444 V N -0.955 119.114 119.914 0.258 0.000 2.490 444 V HA -0.166 3.954 4.120 0.000 0.000 0.250 444 V C 1.998 178.166 176.094 0.123 0.000 1.061 444 V CA 2.078 64.494 62.300 0.193 0.000 1.064 444 V CB -0.678 31.237 31.823 0.153 0.000 0.670 444 V HN 0.394 nan 8.190 nan 0.000 0.461 445 I N -0.341 120.299 120.570 0.117 0.000 2.546 445 I HA -0.082 4.088 4.170 0.000 0.000 0.255 445 I C 2.383 178.547 176.117 0.077 0.000 1.163 445 I CA 1.587 62.930 61.300 0.072 0.000 1.457 445 I CB -1.590 36.442 38.000 0.054 0.000 1.092 445 I HN 0.560 nan 8.210 nan 0.000 0.434 446 Y N 2.343 122.652 120.300 0.016 0.000 2.070 446 Y HA -0.267 4.283 4.550 0.000 0.000 0.280 446 Y C 2.636 178.538 175.900 0.004 0.000 1.148 446 Y CA 2.205 60.317 58.100 0.020 0.000 1.125 446 Y CB -0.380 38.120 38.460 0.065 0.000 0.975 446 Y HN 0.108 nan 8.280 nan 0.000 0.492 447 A N 0.209 123.165 122.820 0.227 0.000 1.948 447 A HA -0.178 4.142 4.320 0.000 0.000 0.220 447 A C 2.442 179.982 177.584 -0.074 0.000 1.177 447 A CA 2.009 54.117 52.037 0.118 0.000 0.636 447 A CB -1.770 17.203 19.000 -0.044 0.000 0.815 447 A HN 0.656 nan 8.150 nan 0.000 0.449 448 G N -0.864 107.886 108.800 -0.083 0.000 2.414 448 G HA2 -0.066 3.894 3.960 0.000 0.000 0.215 448 G HA3 -0.066 3.894 3.960 0.000 0.000 0.215 448 G C 1.507 176.289 174.900 -0.197 0.000 1.188 448 G CA 1.124 46.146 45.100 -0.129 0.000 0.783 448 G HN 0.317 nan 8.290 nan 0.000 0.537 449 V N 1.021 120.815 119.914 -0.200 0.000 2.407 449 V HA -0.086 4.035 4.120 0.000 0.000 0.248 449 V C 2.823 178.711 176.094 -0.342 0.000 1.055 449 V CA 1.381 63.544 62.300 -0.229 0.000 1.049 449 V CB -0.373 31.344 31.823 -0.178 0.000 0.662 449 V HN 0.185 nan 8.190 nan 0.000 0.455 450 R N 0.115 120.298 120.500 -0.529 0.000 2.316 450 R HA 0.077 4.417 4.340 0.000 0.000 0.202 450 R C 1.844 177.682 176.300 -0.770 0.000 1.029 450 R CA 0.792 56.456 56.100 -0.727 0.000 1.018 450 R CB -0.839 28.823 30.300 -1.063 0.000 0.888 450 R HN 0.644 nan 8.270 nan 0.000 0.471 451 G N -0.240 108.230 108.800 -0.549 0.000 2.175 451 G HA2 -0.318 3.642 3.960 0.000 0.000 0.244 451 G HA3 -0.318 3.642 3.960 0.000 0.000 0.244 451 G C 0.464 175.159 174.900 -0.341 0.000 0.982 451 G CA 0.183 45.041 45.100 -0.403 0.000 0.641 451 G HN 0.323 nan 8.290 nan 0.000 0.527 452 Y N 0.336 120.544 120.300 -0.153 0.000 2.651 452 Y HA 0.249 4.799 4.550 0.000 0.000 0.296 452 Y C 2.507 178.294 175.900 -0.190 0.000 1.150 452 Y CA 1.178 59.195 58.100 -0.139 0.000 1.348 452 Y CB -0.168 38.225 38.460 -0.111 0.000 0.983 452 Y HN 0.409 nan 8.280 nan 0.000 0.555 453 L N -1.112 120.044 121.223 -0.112 0.000 2.766 453 L HA 0.121 4.461 4.340 0.000 0.000 0.242 453 L C 0.983 177.770 176.870 -0.138 0.000 1.136 453 L CA -0.017 54.709 54.840 -0.191 0.000 0.933 453 L CB 0.115 42.024 42.059 -0.250 0.000 1.241 453 L HN -0.077 nan 8.230 nan 0.000 0.522 454 D N 1.301 121.632 120.400 -0.115 0.000 2.221 454 D HA -0.159 4.481 4.640 0.000 0.000 0.204 454 D C 1.529 177.787 176.300 -0.071 0.000 0.982 454 D CA 1.354 55.295 54.000 -0.098 0.000 0.857 454 D CB 0.136 40.876 40.800 -0.101 0.000 0.934 454 D HN 0.196 nan 8.370 nan 0.000 0.475 455 K N -0.481 119.882 120.400 -0.061 0.000 2.397 455 K HA 0.172 4.492 4.320 0.000 0.000 0.202 455 K C -0.000 176.578 176.600 -0.037 0.000 1.022 455 K CA -0.362 55.901 56.287 -0.040 0.000 1.141 455 K CB 0.669 33.154 32.500 -0.025 0.000 0.857 455 K HN 0.038 nan 8.250 nan 0.000 0.514 456 L N 0.764 121.955 121.223 -0.054 0.000 2.352 456 L HA 0.266 4.606 4.340 0.000 0.000 0.269 456 L C -0.365 176.496 176.870 -0.016 0.000 1.034 456 L CA -0.434 54.385 54.840 -0.036 0.000 0.806 456 L CB 1.412 43.422 42.059 -0.083 0.000 1.244 456 L HN -0.022 nan 8.230 nan 0.000 0.447 457 E N 4.223 124.432 120.200 0.015 0.000 2.257 457 E HA 0.163 4.513 4.350 0.000 0.000 0.278 457 E C -1.853 174.765 176.600 0.030 0.000 1.049 457 E CA -1.538 54.874 56.400 0.020 0.000 0.876 457 E CB 1.172 30.889 29.700 0.029 0.000 1.035 457 E HN 0.490 nan 8.360 nan 0.000 0.419 458 P HA -0.243 nan 4.420 nan 0.000 0.217 458 P C 0.986 178.310 177.300 0.040 0.000 1.148 458 P CA 1.534 64.644 63.100 0.018 0.000 0.834 458 P CB 0.149 31.854 31.700 0.009 0.000 0.783 459 S N -0.957 114.772 115.700 0.047 0.000 2.447 459 S HA -0.075 4.396 4.470 0.000 0.000 0.233 459 S C 1.614 176.269 174.600 0.093 0.000 1.006 459 S CA 0.880 59.115 58.200 0.059 0.000 0.957 459 S CB -0.703 62.526 63.200 0.048 0.000 0.773 459 S HN 0.203 nan 8.310 nan 0.000 0.507 460 K N 0.870 121.343 120.400 0.122 0.000 2.400 460 K HA 0.312 4.632 4.320 0.000 0.000 0.194 460 K C 1.762 178.514 176.600 0.252 0.000 1.033 460 K CA 0.110 56.528 56.287 0.218 0.000 1.021 460 K CB -0.218 32.443 32.500 0.268 0.000 0.808 460 K HN 0.439 nan 8.250 nan 0.000 0.505 461 I N 1.108 121.771 120.570 0.154 0.000 2.163 461 I HA -0.286 3.884 4.170 0.000 0.000 0.243 461 I C 2.112 178.330 176.117 0.168 0.000 1.085 461 I CA 1.401 62.788 61.300 0.145 0.000 1.347 461 I CB -0.603 37.436 38.000 0.065 0.000 1.044 461 I HN 0.113 nan 8.210 nan 0.000 0.408 462 T N 0.517 115.143 114.554 0.119 0.000 2.684 462 T HA -0.265 4.085 4.350 0.000 0.000 0.267 462 T C 1.955 176.722 174.700 0.112 0.000 1.036 462 T CA 1.672 63.829 62.100 0.094 0.000 1.148 462 T CB -0.222 68.684 68.868 0.064 0.000 0.863 462 T HN 0.310 nan 8.240 nan 0.000 0.436 463 K N -0.168 120.330 120.400 0.164 0.000 2.147 463 K HA -0.099 4.221 4.320 0.000 0.000 0.205 463 K C 2.079 178.791 176.600 0.186 0.000 1.049 463 K CA 1.033 57.446 56.287 0.209 0.000 0.936 463 K CB -0.271 32.405 32.500 0.293 0.000 0.722 463 K HN 0.353 nan 8.250 nan 0.000 0.446 464 F N 2.301 122.234 119.950 -0.029 0.000 2.060 464 F HA -0.178 4.350 4.527 0.000 0.000 0.295 464 F C 2.309 178.014 175.800 -0.160 0.000 1.120 464 F CA 2.146 59.896 58.000 -0.416 0.000 1.205 464 F CB -0.593 38.137 39.000 -0.450 0.000 0.986 464 F HN 0.162 nan 8.300 nan 0.000 0.470 465 E N 0.266 120.403 120.200 -0.104 0.000 2.147 465 E HA -0.309 4.041 4.350 0.000 0.000 0.199 465 E C 1.925 178.431 176.600 -0.157 0.000 1.005 465 E CA 1.769 58.088 56.400 -0.135 0.000 0.810 465 E CB -0.385 29.343 29.700 0.047 0.000 0.736 465 E HN 0.507 nan 8.360 nan 0.000 0.460 466 N N 0.495 119.141 118.700 -0.091 0.000 2.084 466 N HA -0.181 4.559 4.740 0.000 0.000 0.190 466 N C 1.850 177.302 175.510 -0.096 0.000 1.030 466 N CA 1.496 54.512 53.050 -0.057 0.000 0.849 466 N CB -0.486 38.005 38.487 0.007 0.000 1.012 466 N HN 0.307 nan 8.380 nan 0.000 0.423 467 A N 1.098 123.855 122.820 -0.104 0.000 1.858 467 A HA -0.156 4.164 4.320 0.000 0.000 0.216 467 A C 2.146 179.571 177.584 -0.266 0.000 1.190 467 A CA 1.181 53.214 52.037 -0.007 0.000 0.617 467 A CB -1.069 18.034 19.000 0.172 0.000 0.827 467 A HN 0.310 nan 8.150 nan 0.000 0.443 468 F N 0.104 119.534 119.950 -0.866 0.000 2.075 468 F HA -0.155 4.372 4.527 0.000 0.000 0.297 468 F C 1.867 177.330 175.800 -0.562 0.000 1.113 468 F CA 1.786 59.109 58.000 -1.129 0.000 1.218 468 F CB -0.498 37.739 39.000 -1.272 0.000 0.984 468 F HN 0.182 nan 8.300 nan 0.000 0.472 469 L N 0.817 121.796 121.223 -0.407 0.000 1.963 469 L HA -0.300 4.040 4.340 0.000 0.000 0.220 469 L C 2.801 179.477 176.870 -0.325 0.000 1.076 469 L CA 2.609 57.243 54.840 -0.344 0.000 0.772 469 L CB -1.322 40.651 42.059 -0.143 0.000 0.892 469 L HN 0.375 nan 8.230 nan 0.000 0.435 470 S N -2.167 113.412 115.700 -0.202 0.000 2.420 470 S HA -0.308 4.162 4.470 0.000 0.000 0.237 470 S C 1.927 176.458 174.600 -0.115 0.000 1.023 470 S CA 1.336 59.463 58.200 -0.122 0.000 0.991 470 S CB -1.000 62.173 63.200 -0.046 0.000 0.792 470 S HN 0.714 nan 8.310 nan 0.000 0.488 471 H N 2.266 121.143 119.070 -0.322 0.000 2.276 471 H HA 0.017 4.573 4.556 0.000 0.000 0.301 471 H C 2.238 177.397 175.328 -0.281 0.000 1.073 471 H CA 2.137 58.011 56.048 -0.289 0.000 1.311 471 H CB -0.680 28.787 29.762 -0.491 0.000 1.379 471 H HN 0.271 nan 8.280 nan 0.000 0.494 472 V N -0.506 119.052 119.914 -0.593 0.000 2.913 472 V HA -0.072 4.048 4.120 0.000 0.000 0.260 472 V C 2.201 178.116 176.094 -0.299 0.000 1.098 472 V CA 1.745 63.747 62.300 -0.497 0.000 1.121 472 V CB -0.790 30.646 31.823 -0.644 0.000 0.714 472 V HN 0.473 nan 8.190 nan 0.000 0.487 473 I N 0.960 121.376 120.570 -0.258 0.000 2.406 473 I HA -0.120 4.050 4.170 0.000 0.000 0.249 473 I C 2.794 178.824 176.117 -0.146 0.000 1.122 473 I CA 1.650 62.846 61.300 -0.173 0.000 1.431 473 I CB -0.203 37.712 38.000 -0.142 0.000 1.087 473 I HN 0.530 nan 8.210 nan 0.000 0.424 474 S N 0.294 115.906 115.700 -0.147 0.000 2.325 474 S HA -0.147 4.323 4.470 0.000 0.000 0.214 474 S C 1.930 176.430 174.600 -0.166 0.000 1.031 474 S CA 0.960 59.088 58.200 -0.121 0.000 0.972 474 S CB -0.212 62.943 63.200 -0.075 0.000 0.908 474 S HN 0.363 nan 8.310 nan 0.000 0.453 475 Q N -0.039 119.617 119.800 -0.240 0.000 1.946 475 Q HA -0.023 4.317 4.340 0.000 0.000 0.199 475 Q C 1.211 176.913 176.000 -0.497 0.000 0.979 475 Q CA 1.592 57.161 55.803 -0.390 0.000 0.834 475 Q CB -0.339 28.087 28.738 -0.521 0.000 0.899 475 Q HN 0.741 nan 8.270 nan 0.000 0.431 476 H N 1.313 120.206 119.070 -0.296 0.000 2.787 476 H HA -0.023 4.533 4.556 0.000 0.000 0.302 476 H C 1.548 176.762 175.328 -0.191 0.000 1.098 476 H CA 0.210 56.113 56.048 -0.242 0.000 1.192 476 H CB -0.367 29.215 29.762 -0.301 0.000 1.316 476 H HN 0.359 nan 8.280 nan 0.000 0.590 477 Q N -0.127 119.600 119.800 -0.122 0.000 2.242 477 Q HA -0.285 4.055 4.340 0.000 0.000 0.211 477 Q C 2.133 178.092 176.000 -0.069 0.000 0.992 477 Q CA 1.701 57.446 55.803 -0.096 0.000 0.889 477 Q CB -0.171 28.508 28.738 -0.098 0.000 0.913 477 Q HN 0.519 nan 8.270 nan 0.000 0.422 478 A N 1.840 124.624 122.820 -0.060 0.000 1.841 478 A HA -0.105 4.215 4.320 0.000 0.000 0.214 478 A C 2.165 179.731 177.584 -0.031 0.000 1.195 478 A CA 1.220 53.233 52.037 -0.041 0.000 0.611 478 A CB -0.922 18.057 19.000 -0.036 0.000 0.835 478 A HN 0.457 nan 8.150 nan 0.000 0.443 479 L N -0.263 120.949 121.223 -0.018 0.000 1.978 479 L HA -0.263 4.077 4.340 0.000 0.000 0.218 479 L C 2.644 179.482 176.870 -0.053 0.000 1.075 479 L CA 2.163 56.981 54.840 -0.036 0.000 0.767 479 L CB -0.559 41.469 42.059 -0.052 0.000 0.890 479 L HN 0.479 nan 8.230 nan 0.000 0.434 480 L N -0.733 120.452 121.223 -0.063 0.000 1.990 480 L HA -0.206 4.134 4.340 0.000 0.000 0.213 480 L C 2.656 179.499 176.870 -0.045 0.000 1.072 480 L CA 1.581 56.383 54.840 -0.063 0.000 0.755 480 L CB -1.364 40.649 42.059 -0.077 0.000 0.889 480 L HN 0.405 nan 8.230 nan 0.000 0.432 481 G N -0.211 108.563 108.800 -0.043 0.000 2.469 481 G HA2 -0.325 3.635 3.960 0.000 0.000 0.219 481 G HA3 -0.325 3.635 3.960 0.000 0.000 0.219 481 G C 1.708 176.593 174.900 -0.026 0.000 1.150 481 G CA 1.064 46.144 45.100 -0.033 0.000 0.763 481 G HN 0.312 nan 8.290 nan 0.000 0.561 482 K N -0.014 120.370 120.400 -0.027 0.000 2.025 482 K HA 0.052 4.372 4.320 0.000 0.000 0.207 482 K C 2.547 179.135 176.600 -0.020 0.000 1.049 482 K CA 0.827 57.101 56.287 -0.022 0.000 0.933 482 K CB -0.244 32.243 32.500 -0.021 0.000 0.714 482 K HN 0.355 nan 8.250 nan 0.000 0.438 483 I N 0.940 121.495 120.570 -0.026 0.000 2.163 483 I HA -0.329 3.841 4.170 0.000 0.000 0.243 483 I C 2.782 178.892 176.117 -0.012 0.000 1.085 483 I CA 1.275 62.563 61.300 -0.021 0.000 1.347 483 I CB -0.299 37.683 38.000 -0.030 0.000 1.044 483 I HN 0.263 nan 8.210 nan 0.000 0.408 484 R N 0.523 121.016 120.500 -0.013 0.000 2.088 484 R HA -0.193 4.147 4.340 0.000 0.000 0.232 484 R C 2.350 178.648 176.300 -0.004 0.000 1.136 484 R CA 2.521 58.618 56.100 -0.004 0.000 0.926 484 R CB -0.577 29.721 30.300 -0.004 0.000 0.837 484 R HN 0.213 nan 8.270 nan 0.000 0.429 485 T N 1.049 115.599 114.554 -0.007 0.000 2.665 485 T HA -0.159 4.191 4.350 0.000 0.000 0.268 485 T C 1.180 175.875 174.700 -0.007 0.000 1.035 485 T CA 1.989 64.085 62.100 -0.006 0.000 1.151 485 T CB -0.422 68.441 68.868 -0.009 0.000 0.862 485 T HN 0.400 nan 8.240 nan 0.000 0.438 486 D N 0.076 120.472 120.400 -0.008 0.000 2.183 486 D HA 0.126 4.766 4.640 0.000 0.000 0.203 486 D C 1.762 178.059 176.300 -0.006 0.000 0.969 486 D CA 1.105 55.101 54.000 -0.006 0.000 0.842 486 D CB -0.642 40.154 40.800 -0.006 0.000 0.957 486 D HN 0.505 nan 8.370 nan 0.000 0.484 487 G N 0.607 109.404 108.800 -0.005 0.000 2.166 487 G HA2 -0.346 3.614 3.960 0.000 0.000 0.260 487 G HA3 -0.346 3.614 3.960 0.000 0.000 0.260 487 G C 0.410 175.310 174.900 -0.000 0.000 0.986 487 G CA 0.960 46.057 45.100 -0.005 0.000 0.683 487 G HN 0.529 nan 8.290 nan 0.000 0.527 488 K N -0.788 119.614 120.400 0.002 0.000 2.495 488 K HA 0.728 5.048 4.320 0.000 0.000 0.268 488 K C -0.774 175.832 176.600 0.010 0.000 1.008 488 K CA -1.304 54.988 56.287 0.009 0.000 0.882 488 K CB 1.221 33.726 32.500 0.008 0.000 1.443 488 K HN 0.060 nan 8.250 nan 0.000 0.447 489 I N 3.375 123.957 120.570 0.022 0.000 2.337 489 I HA 0.143 4.313 4.170 0.000 0.000 0.285 489 I C 0.214 176.346 176.117 0.025 0.000 1.041 489 I CA -0.637 60.676 61.300 0.022 0.000 1.199 489 I CB 1.362 39.394 38.000 0.053 0.000 1.370 489 I HN 0.630 nan 8.210 nan 0.000 0.470 490 S N 3.401 119.109 115.700 0.012 0.000 2.614 490 S HA 0.184 4.654 4.470 0.000 0.000 0.265 490 S C 0.912 175.525 174.600 0.021 0.000 1.303 490 S CA -0.538 57.670 58.200 0.014 0.000 1.000 490 S CB 1.315 64.518 63.200 0.006 0.000 0.935 490 S HN 0.581 nan 8.310 nan 0.000 0.551 491 E N 0.468 120.682 120.200 0.024 0.000 2.267 491 E HA -0.123 4.228 4.350 0.000 0.000 0.197 491 E C 1.738 178.353 176.600 0.025 0.000 0.998 491 E CA 1.426 57.845 56.400 0.031 0.000 0.830 491 E CB -0.183 29.534 29.700 0.028 0.000 0.751 491 E HN 0.853 nan 8.360 nan 0.000 0.491 492 E N 0.185 120.393 120.200 0.014 0.000 2.016 492 E HA -0.134 4.216 4.350 0.000 0.000 0.190 492 E C 1.896 178.493 176.600 -0.005 0.000 0.985 492 E CA 1.231 57.635 56.400 0.006 0.000 0.802 492 E CB -0.013 29.689 29.700 0.002 0.000 0.762 492 E HN 0.089 nan 8.360 nan 0.000 0.448 493 S N 0.889 116.580 115.700 -0.015 0.000 2.374 493 S HA -0.213 4.257 4.470 0.000 0.000 0.227 493 S C 1.576 176.136 174.600 -0.066 0.000 1.037 493 S CA 1.338 59.511 58.200 -0.045 0.000 1.024 493 S CB -0.462 62.712 63.200 -0.045 0.000 0.861 493 S HN 0.381 nan 8.310 nan 0.000 0.456 494 D N 1.283 121.676 120.400 -0.013 0.000 2.108 494 D HA -0.147 4.493 4.640 0.000 0.000 0.190 494 D C 2.167 178.492 176.300 0.041 0.000 0.995 494 D CA 1.543 55.567 54.000 0.039 0.000 0.834 494 D CB -0.318 40.553 40.800 0.118 0.000 0.967 494 D HN 0.331 nan 8.370 nan 0.000 0.446 495 A N 0.726 123.571 122.820 0.041 0.000 1.903 495 A HA -0.250 4.070 4.320 0.000 0.000 0.219 495 A C 2.196 179.781 177.584 0.001 0.000 1.191 495 A CA 2.531 54.589 52.037 0.036 0.000 0.638 495 A CB -0.659 18.357 19.000 0.028 0.000 0.823 495 A HN 0.232 nan 8.150 nan 0.000 0.451 496 K N -0.562 119.822 120.400 -0.027 0.000 2.209 496 K HA 0.033 4.353 4.320 0.000 0.000 0.204 496 K C 1.670 178.204 176.600 -0.110 0.000 1.048 496 K CA 1.071 57.325 56.287 -0.057 0.000 0.940 496 K CB -0.349 32.117 32.500 -0.055 0.000 0.729 496 K HN 0.523 nan 8.250 nan 0.000 0.451 497 L N -0.185 120.950 121.223 -0.147 0.000 2.162 497 L HA -0.011 4.329 4.340 0.000 0.000 0.205 497 L C 2.336 179.155 176.870 -0.085 0.000 1.086 497 L CA 0.896 55.603 54.840 -0.221 0.000 0.778 497 L CB -0.292 41.384 42.059 -0.638 0.000 0.928 497 L HN 0.118 nan 8.230 nan 0.000 0.446 498 K N 0.509 120.910 120.400 0.002 0.000 2.103 498 K HA -0.267 4.053 4.320 0.000 0.000 0.207 498 K C 2.012 178.520 176.600 -0.153 0.000 1.048 498 K CA 1.764 58.019 56.287 -0.053 0.000 0.930 498 K CB 0.020 32.566 32.500 0.077 0.000 0.716 498 K HN 0.291 nan 8.250 nan 0.000 0.444 499 E N 0.609 120.771 120.200 -0.063 0.000 2.015 499 E HA -0.192 4.158 4.350 0.000 0.000 0.191 499 E C 2.043 178.639 176.600 -0.007 0.000 0.991 499 E CA 1.475 57.855 56.400 -0.033 0.000 0.802 499 E CB -0.141 29.556 29.700 -0.005 0.000 0.759 499 E HN 0.370 nan 8.360 nan 0.000 0.447 500 I N 1.380 121.944 120.570 -0.010 0.000 2.208 500 I HA -0.274 3.896 4.170 0.000 0.000 0.245 500 I C 2.661 178.906 176.117 0.213 0.000 1.097 500 I CA 1.411 62.756 61.300 0.075 0.000 1.363 500 I CB -0.378 37.563 38.000 -0.097 0.000 1.051 500 I HN 0.211 nan 8.210 nan 0.000 0.413 501 V N -1.412 118.579 119.914 0.130 0.000 2.379 501 V HA -0.193 3.927 4.120 0.000 0.000 0.245 501 V C 2.546 178.685 176.094 0.075 0.000 1.044 501 V CA 2.006 64.383 62.300 0.127 0.000 1.036 501 V CB -1.762 30.022 31.823 -0.065 0.000 0.664 501 V HN 0.568 nan 8.190 nan 0.000 0.453 502 T N -0.908 113.581 114.554 -0.108 0.000 2.708 502 T HA -0.196 4.154 4.350 0.000 0.000 0.266 502 T C 1.899 176.626 174.700 0.044 0.000 1.037 502 T CA 1.841 63.886 62.100 -0.092 0.000 1.146 502 T CB -0.853 67.914 68.868 -0.168 0.000 0.865 502 T HN 0.504 nan 8.240 nan 0.000 0.435 503 N N 0.769 119.516 118.700 0.078 0.000 2.106 503 N HA -0.005 4.735 4.740 0.000 0.000 0.188 503 N C 1.585 177.189 175.510 0.158 0.000 1.029 503 N CA 1.181 54.293 53.050 0.103 0.000 0.848 503 N CB -0.634 37.914 38.487 0.103 0.000 1.007 503 N HN 0.438 nan 8.380 nan 0.000 0.423 504 F N 2.268 122.280 119.950 0.103 0.000 2.126 504 F HA -0.112 4.415 4.527 0.000 0.000 0.299 504 F C 2.329 178.269 175.800 0.232 0.000 1.096 504 F CA 0.962 59.038 58.000 0.127 0.000 1.255 504 F CB -0.288 38.815 39.000 0.171 0.000 0.997 504 F HN -0.024 nan 8.300 nan 0.000 0.479 505 L N 0.015 121.504 121.223 0.443 0.000 1.989 505 L HA -0.246 4.094 4.340 0.000 0.000 0.211 505 L C 2.652 179.639 176.870 0.195 0.000 1.071 505 L CA 1.922 56.954 54.840 0.319 0.000 0.749 505 L CB -1.336 40.775 42.059 0.088 0.000 0.890 505 L HN 0.321 nan 8.230 nan 0.000 0.431 506 A N 0.084 122.967 122.820 0.105 0.000 1.870 506 A HA -0.291 4.029 4.320 0.000 0.000 0.219 506 A C 2.322 179.918 177.584 0.020 0.000 1.224 506 A CA 2.419 54.486 52.037 0.050 0.000 0.650 506 A CB -1.641 17.378 19.000 0.032 0.000 0.836 506 A HN 0.557 nan 8.150 nan 0.000 0.454 507 G N -1.650 107.137 108.800 -0.022 0.000 2.491 507 G HA2 -0.305 3.655 3.960 0.000 0.000 0.218 507 G HA3 -0.305 3.655 3.960 0.000 0.000 0.218 507 G C 1.465 176.313 174.900 -0.087 0.000 1.180 507 G CA 1.314 46.356 45.100 -0.096 0.000 0.774 507 G HN 0.508 nan 8.290 nan 0.000 0.562 508 F N 1.704 121.514 119.950 -0.234 0.000 2.147 508 F HA -0.090 4.437 4.527 0.000 0.000 0.301 508 F C 2.080 177.855 175.800 -0.042 0.000 1.084 508 F CA 1.747 59.669 58.000 -0.129 0.000 1.268 508 F CB 0.060 39.084 39.000 0.039 0.000 1.009 508 F HN 0.246 nan 8.300 nan 0.000 0.486 509 E N 0.416 120.605 120.200 -0.018 0.000 2.411 509 E HA 0.338 4.688 4.350 0.000 0.000 0.228 509 E C 0.275 176.826 176.600 -0.082 0.000 1.169 509 E CA -0.211 56.143 56.400 -0.077 0.000 1.421 509 E CB -0.006 29.705 29.700 0.018 0.000 1.333 509 E HN 0.323 nan 8.360 nan 0.000 0.434 510 A N 0.000 122.752 122.820 -0.114 0.000 2.254 510 A HA 0.000 4.320 4.320 0.000 0.000 0.244 510 A CA 0.000 51.987 52.037 -0.084 0.000 0.836 510 A CB 0.000 18.951 19.000 -0.081 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486