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 2w6f_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 LLSKIRTDGK 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 0.003 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 2.376 122.778 120.400 0.004 0.000 2.412 20 D HA 0.214 4.853 4.640 -0.001 0.000 0.257 20 D C 1.022 177.324 176.300 0.004 0.000 1.217 20 D CA 1.469 55.472 54.000 0.004 0.000 0.897 20 D CB 0.767 41.570 40.800 0.005 0.000 1.132 20 D HN 0.519 nan 8.370 nan 0.000 0.493 21 T N -0.207 114.349 114.554 0.003 0.000 3.331 21 T HA 0.111 4.460 4.350 -0.001 0.000 0.282 21 T C 1.287 175.988 174.700 0.002 0.000 1.010 21 T CA -0.160 61.941 62.100 0.003 0.000 0.928 21 T CB -0.230 68.639 68.868 0.002 0.000 1.154 21 T HN 0.205 nan 8.240 nan 0.000 0.516 22 S N 0.309 116.010 115.700 0.002 0.000 2.470 22 S HA 0.120 4.589 4.470 -0.001 0.000 0.225 22 S C 0.914 175.514 174.600 0.000 0.000 1.006 22 S CA -0.081 58.119 58.200 0.001 0.000 0.934 22 S CB -0.187 63.014 63.200 0.002 0.000 0.778 22 S HN 0.354 nan 8.310 nan 0.000 0.517 23 V N 4.286 124.202 119.914 0.003 0.000 2.737 23 V HA 0.223 4.342 4.120 -0.001 0.000 0.320 23 V C -0.481 175.618 176.094 0.008 0.000 1.174 23 V CA -0.887 61.416 62.300 0.005 0.000 1.355 23 V CB -0.433 31.396 31.823 0.009 0.000 1.558 23 V HN 0.516 nan 8.190 nan 0.000 0.618 24 D N 0.615 121.017 120.400 0.004 0.000 2.362 24 D HA 0.085 4.725 4.640 -0.001 0.000 0.242 24 D C 0.785 177.086 176.300 0.001 0.000 1.132 24 D CA -0.511 53.492 54.000 0.004 0.000 0.907 24 D CB 1.884 42.684 40.800 -0.001 0.000 1.195 24 D HN 0.231 nan 8.370 nan 0.000 0.429 25 L N 0.570 121.795 121.223 0.003 0.000 2.718 25 L HA 0.057 4.397 4.340 -0.001 0.000 0.242 25 L C 1.433 178.282 176.870 -0.035 0.000 1.203 25 L CA 0.241 55.074 54.840 -0.012 0.000 1.011 25 L CB -0.465 41.590 42.059 -0.007 0.000 1.250 25 L HN 0.434 nan 8.230 nan 0.000 0.437 26 E N -0.394 119.790 120.200 -0.026 0.000 2.330 26 E HA -0.003 4.346 4.350 -0.001 0.000 0.200 26 E C 1.043 177.624 176.600 -0.032 0.000 0.922 26 E CA 0.248 56.629 56.400 -0.031 0.000 0.935 26 E CB 0.609 30.296 29.700 -0.022 0.000 0.917 26 E HN 0.341 nan 8.360 nan 0.000 0.491 27 E N 0.424 120.607 120.200 -0.028 0.000 2.562 27 E HA 0.064 4.413 4.350 -0.001 0.000 0.214 27 E C 0.361 176.938 176.600 -0.039 0.000 0.979 27 E CA 0.360 56.742 56.400 -0.031 0.000 1.002 27 E CB 1.457 31.143 29.700 -0.023 0.000 1.048 27 E HN 0.170 nan 8.360 nan 0.000 0.488 28 T N -2.496 112.036 114.554 -0.037 0.000 2.883 28 T HA 0.787 5.137 4.350 -0.001 0.000 0.296 28 T C 0.189 174.868 174.700 -0.035 0.000 1.117 28 T CA -0.564 61.512 62.100 -0.041 0.000 1.006 28 T CB 2.596 71.449 68.868 -0.025 0.000 1.191 28 T HN -0.008 nan 8.240 nan 0.000 0.508 29 G N 0.061 108.841 108.800 -0.033 0.000 2.721 29 G HA2 0.717 4.676 3.960 -0.001 0.000 0.296 29 G HA3 0.717 4.676 3.960 -0.001 0.000 0.296 29 G C -1.779 173.142 174.900 0.035 0.000 1.383 29 G CA -1.148 43.953 45.100 0.002 0.000 0.788 29 G HN 0.811 nan 8.290 nan 0.000 0.500 30 R N -0.620 119.936 120.500 0.093 0.000 2.621 30 R HA 0.488 4.827 4.340 -0.001 0.000 0.284 30 R C -0.873 175.492 176.300 0.107 0.000 0.998 30 R CA -0.755 55.397 56.100 0.086 0.000 0.895 30 R CB 2.692 33.036 30.300 0.073 0.000 1.195 30 R HN 0.340 nan 8.270 nan 0.000 0.450 31 V N 5.433 125.414 119.914 0.112 0.000 2.475 31 V HA -0.072 4.047 4.120 -0.001 0.000 0.292 31 V C 1.610 177.752 176.094 0.080 0.000 1.003 31 V CA 0.666 63.041 62.300 0.124 0.000 1.120 31 V CB 0.184 32.099 31.823 0.152 0.000 0.937 31 V HN 0.747 nan 8.190 nan 0.000 0.476 32 L N 3.981 125.251 121.223 0.078 0.000 2.131 32 L HA 0.081 4.421 4.340 -0.001 0.000 0.206 32 L C 0.966 177.853 176.870 0.029 0.000 1.087 32 L CA 1.077 55.943 54.840 0.044 0.000 0.767 32 L CB -0.022 42.068 42.059 0.052 0.000 0.917 32 L HN 0.878 nan 8.230 nan 0.000 0.441 33 S N -1.285 114.437 115.700 0.036 0.000 2.567 33 S HA 0.607 5.076 4.470 -0.001 0.000 0.270 33 S C -1.151 173.456 174.600 0.013 0.000 1.152 33 S CA -0.863 57.347 58.200 0.017 0.000 0.835 33 S CB 2.487 65.693 63.200 0.009 0.000 1.115 33 S HN -0.008 nan 8.310 nan 0.000 0.459 34 I N 0.077 120.643 120.570 -0.007 0.000 2.656 34 I HA 0.899 5.068 4.170 -0.001 0.000 0.292 34 I C -0.478 175.616 176.117 -0.038 0.000 1.144 34 I CA 0.195 61.476 61.300 -0.031 0.000 1.038 34 I CB 1.646 39.614 38.000 -0.054 0.000 1.244 34 I HN 1.384 nan 8.210 nan 0.000 0.420 35 G N 4.425 113.198 108.800 -0.046 0.000 2.691 35 G HA2 0.443 4.402 3.960 -0.001 0.000 0.298 35 G HA3 0.443 4.402 3.960 -0.001 0.000 0.298 35 G C -1.195 173.677 174.900 -0.047 0.000 1.471 35 G CA -0.493 44.582 45.100 -0.041 0.000 0.912 35 G HN 0.692 nan 8.290 nan 0.000 0.553 36 D N -0.049 120.325 120.400 -0.044 0.000 2.751 36 D HA -0.179 4.460 4.640 -0.001 0.000 0.233 36 D C 1.656 177.925 176.300 -0.052 0.000 1.149 36 D CA 2.884 56.859 54.000 -0.042 0.000 0.682 36 D CB -1.107 39.670 40.800 -0.037 0.000 1.068 36 D HN 2.215 nan 8.370 nan 0.000 0.429 37 G N -1.109 107.649 108.800 -0.069 0.000 2.148 37 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.254 37 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.254 37 G C 0.152 174.993 174.900 -0.098 0.000 0.981 37 G CA 0.310 45.356 45.100 -0.089 0.000 0.670 37 G HN 0.475 nan 8.290 nan 0.000 0.528 38 I N 0.868 121.391 120.570 -0.080 0.000 2.418 38 I HA 0.675 4.844 4.170 -0.001 0.000 0.287 38 I C 0.475 176.567 176.117 -0.043 0.000 1.008 38 I CA -1.068 60.195 61.300 -0.062 0.000 1.104 38 I CB 1.262 39.232 38.000 -0.050 0.000 1.264 38 I HN 0.306 nan 8.210 nan 0.000 0.438 39 A N 7.663 130.476 122.820 -0.010 0.000 2.301 39 A HA 0.694 5.014 4.320 -0.001 0.000 0.312 39 A C 0.025 177.651 177.584 0.069 0.000 1.182 39 A CA -0.683 51.383 52.037 0.048 0.000 0.826 39 A CB 0.771 19.878 19.000 0.179 0.000 1.134 39 A HN 0.576 nan 8.150 nan 0.000 0.501 40 R N 2.661 123.198 120.500 0.062 0.000 2.471 40 R HA 0.302 4.641 4.340 -0.001 0.000 0.292 40 R C -0.862 175.488 176.300 0.083 0.000 1.192 40 R CA -0.290 55.844 56.100 0.057 0.000 1.257 40 R CB 0.569 30.892 30.300 0.038 0.000 1.130 40 R HN 0.507 nan 8.270 nan 0.000 0.558 41 V N 3.048 123.014 119.914 0.088 0.000 2.555 41 V HA 0.041 4.160 4.120 -0.001 0.000 0.286 41 V C 0.598 176.742 176.094 0.083 0.000 1.044 41 V CA -0.389 61.963 62.300 0.087 0.000 1.026 41 V CB 0.634 32.480 31.823 0.040 0.000 0.981 41 V HN 0.584 nan 8.190 nan 0.000 0.480 42 H N 2.832 121.908 119.070 0.010 0.000 2.483 42 H HA 0.673 5.228 4.556 -0.001 0.000 0.338 42 H C 0.542 175.866 175.328 -0.006 0.000 1.152 42 H CA 0.962 57.011 56.048 0.003 0.000 1.264 42 H CB 1.328 31.093 29.762 0.006 0.000 1.510 42 H HN 1.007 nan 8.280 nan 0.000 0.530 43 G N 2.449 110.875 108.800 -0.624 0.000 2.520 43 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.248 43 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.248 43 G C 0.011 174.811 174.900 -0.166 0.000 1.161 43 G CA -0.320 44.605 45.100 -0.290 0.000 0.946 43 G HN 1.199 nan 8.290 nan 0.000 0.565 44 L N -0.196 120.969 121.223 -0.098 0.000 3.829 44 L HA -0.226 4.113 4.340 -0.001 0.000 0.440 44 L C 2.291 179.116 176.870 -0.074 0.000 1.192 44 L CA 0.815 55.609 54.840 -0.078 0.000 0.848 44 L CB -0.666 41.348 42.059 -0.074 0.000 1.744 44 L HN 0.614 nan 8.230 nan 0.000 0.920 45 R N 0.406 120.859 120.500 -0.077 0.000 2.159 45 R HA -0.073 4.266 4.340 -0.001 0.000 0.237 45 R C 1.290 177.563 176.300 -0.044 0.000 1.131 45 R CA 1.290 57.351 56.100 -0.064 0.000 0.982 45 R CB -0.288 29.976 30.300 -0.060 0.000 0.868 45 R HN 0.597 nan 8.270 nan 0.000 0.453 46 N N 0.198 118.875 118.700 -0.038 0.000 2.214 46 N HA 0.033 4.773 4.740 -0.001 0.000 0.214 46 N C -0.006 175.489 175.510 -0.025 0.000 1.132 46 N CA -0.010 53.024 53.050 -0.027 0.000 0.856 46 N CB 0.676 39.150 38.487 -0.022 0.000 1.020 46 N HN -0.048 nan 8.380 nan 0.000 0.509 47 V N -0.261 119.635 119.914 -0.030 0.000 3.051 47 V HA 0.162 4.281 4.120 -0.001 0.000 0.306 47 V C 0.445 176.530 176.094 -0.015 0.000 1.083 47 V CA -0.629 61.656 62.300 -0.025 0.000 1.104 47 V CB 0.579 32.385 31.823 -0.030 0.000 1.027 47 V HN 0.067 nan 8.190 nan 0.000 0.483 48 Q N 1.590 121.386 119.800 -0.007 0.000 2.257 48 Q HA 0.704 5.044 4.340 -0.001 0.000 0.262 48 Q C -0.028 175.975 176.000 0.005 0.000 0.997 48 Q CA -0.700 55.103 55.803 -0.000 0.000 0.873 48 Q CB 1.811 30.551 28.738 0.004 0.000 1.312 48 Q HN 1.066 nan 8.270 nan 0.000 0.450 49 A N 1.636 124.461 122.820 0.008 0.000 2.531 49 A HA -0.002 4.317 4.320 -0.001 0.000 0.236 49 A C 0.263 177.859 177.584 0.021 0.000 1.062 49 A CA 0.457 52.502 52.037 0.013 0.000 0.760 49 A CB -0.240 18.770 19.000 0.016 0.000 0.995 49 A HN 0.988 nan 8.150 nan 0.000 0.501 50 E N -1.006 119.211 120.200 0.028 0.000 3.413 50 E HA -0.199 4.150 4.350 -0.001 0.000 0.300 50 E C 0.217 176.848 176.600 0.052 0.000 0.891 50 E CA 1.274 57.700 56.400 0.044 0.000 1.050 50 E CB -1.211 28.510 29.700 0.035 0.000 1.534 50 E HN 0.900 nan 8.360 nan 0.000 0.436 51 E N 0.396 120.619 120.200 0.039 0.000 2.318 51 E HA 0.413 4.762 4.350 -0.001 0.000 0.265 51 E C -0.192 176.444 176.600 0.061 0.000 1.069 51 E CA -0.468 55.957 56.400 0.040 0.000 0.893 51 E CB 0.916 30.626 29.700 0.018 0.000 1.076 51 E HN 0.122 nan 8.360 nan 0.000 0.414 52 M N 3.892 123.535 119.600 0.072 0.000 2.277 52 M HA 0.268 4.747 4.480 -0.001 0.000 0.350 52 M C -0.865 175.459 176.300 0.039 0.000 1.180 52 M CA -0.544 54.818 55.300 0.102 0.000 1.103 52 M CB 1.066 33.746 32.600 0.135 0.000 1.577 52 M HN 0.407 nan 8.290 nan 0.000 0.459 53 V N 1.363 121.287 119.914 0.016 0.000 3.046 53 V HA 0.727 4.847 4.120 -0.001 0.000 0.316 53 V C -1.120 174.908 176.094 -0.110 0.000 1.104 53 V CA -0.788 61.458 62.300 -0.091 0.000 1.006 53 V CB 2.067 33.772 31.823 -0.196 0.000 1.058 53 V HN 0.914 nan 8.190 nan 0.000 0.440 54 E N 1.028 121.114 120.200 -0.191 0.000 2.256 54 E HA 0.603 4.952 4.350 -0.001 0.000 0.267 54 E C -1.798 174.616 176.600 -0.310 0.000 0.892 54 E CA -0.464 55.863 56.400 -0.122 0.000 0.775 54 E CB 2.588 32.273 29.700 -0.024 0.000 1.207 54 E HN 0.609 nan 8.360 nan 0.000 0.420 55 F N 0.709 120.678 119.950 0.031 0.000 2.399 55 F HA 0.113 4.639 4.527 -0.001 0.000 0.328 55 F C 1.658 177.472 175.800 0.023 0.000 1.084 55 F CA -0.273 57.742 58.000 0.024 0.000 1.053 55 F CB 1.598 40.612 39.000 0.022 0.000 1.209 55 F HN 0.466 nan 8.300 nan 0.000 0.502 56 S N -0.078 115.735 115.700 0.189 0.000 2.389 56 S HA -0.259 4.211 4.470 -0.001 0.000 0.231 56 S C 1.694 176.360 174.600 0.110 0.000 1.052 56 S CA 1.770 60.038 58.200 0.113 0.000 1.053 56 S CB -0.791 62.468 63.200 0.098 0.000 0.886 56 S HN 0.683 nan 8.310 nan 0.000 0.456 57 S N 0.877 116.661 115.700 0.139 0.000 2.803 57 S HA 0.395 4.864 4.470 -0.001 0.000 0.226 57 S C 1.520 176.183 174.600 0.104 0.000 0.962 57 S CA 0.357 58.618 58.200 0.101 0.000 0.968 57 S CB -0.687 62.558 63.200 0.075 0.000 0.786 57 S HN 0.976 nan 8.310 nan 0.000 0.527 58 G N 0.170 109.042 108.800 0.119 0.000 2.189 58 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.267 58 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.267 58 G C -0.099 174.884 174.900 0.137 0.000 0.975 58 G CA 0.292 45.455 45.100 0.105 0.000 0.644 58 G HN 0.528 nan 8.290 nan 0.000 0.537 59 L N 0.946 122.282 121.223 0.188 0.000 2.319 59 L HA 0.582 4.921 4.340 -0.001 0.000 0.280 59 L C 0.672 177.761 176.870 0.365 0.000 1.099 59 L CA -0.106 54.863 54.840 0.215 0.000 0.828 59 L CB 0.929 43.062 42.059 0.123 0.000 1.150 59 L HN 0.196 nan 8.230 nan 0.000 0.442 60 K N 1.978 122.573 120.400 0.324 0.000 2.118 60 K HA 0.740 5.059 4.320 -0.001 0.000 0.267 60 K C -0.009 176.860 176.600 0.449 0.000 0.991 60 K CA -0.312 56.198 56.287 0.371 0.000 0.916 60 K CB 1.374 34.072 32.500 0.330 0.000 1.041 60 K HN 0.809 nan 8.250 nan 0.000 0.455 61 G N 0.899 109.918 108.800 0.364 0.000 2.766 61 G HA2 0.631 4.590 3.960 -0.001 0.000 0.288 61 G HA3 0.631 4.590 3.960 -0.001 0.000 0.288 61 G C -1.737 173.172 174.900 0.015 0.000 1.408 61 G CA -0.712 44.447 45.100 0.098 0.000 0.852 61 G HN 0.518 nan 8.290 nan 0.000 0.487 62 M N 0.637 120.140 119.600 -0.163 0.000 2.326 62 M HA 0.517 4.996 4.480 -0.001 0.000 0.292 62 M C -0.775 175.516 176.300 -0.015 0.000 1.081 62 M CA -0.571 54.727 55.300 -0.004 0.000 0.919 62 M CB 2.166 34.803 32.600 0.062 0.000 1.634 62 M HN 0.415 nan 8.290 nan 0.000 0.451 63 S N 4.118 119.827 115.700 0.015 0.000 2.686 63 S HA 0.174 4.643 4.470 -0.001 0.000 0.324 63 S C 0.735 175.340 174.600 0.008 0.000 1.172 63 S CA -0.435 57.768 58.200 0.004 0.000 1.127 63 S CB -0.089 63.112 63.200 0.002 0.000 1.338 63 S HN 0.609 nan 8.310 nan 0.000 0.547 64 L N 3.866 125.087 121.223 -0.003 0.000 2.200 64 L HA 0.345 4.684 4.340 -0.001 0.000 0.200 64 L C 0.525 177.397 176.870 0.003 0.000 1.072 64 L CA 1.194 56.035 54.840 0.001 0.000 0.787 64 L CB -0.732 41.318 42.059 -0.015 0.000 0.957 64 L HN 0.368 nan 8.230 nan 0.000 0.459 65 N N 0.229 118.927 118.700 -0.003 0.000 2.457 65 N HA 0.384 5.124 4.740 -0.001 0.000 0.250 65 N C -0.968 174.541 175.510 -0.002 0.000 0.982 65 N CA 0.049 53.099 53.050 -0.001 0.000 0.941 65 N CB 0.804 39.288 38.487 -0.004 0.000 1.120 65 N HN -0.025 nan 8.380 nan 0.000 0.505 66 L N 1.966 123.188 121.223 -0.001 0.000 2.287 66 L HA 0.391 4.730 4.340 -0.001 0.000 0.280 66 L C 0.477 177.343 176.870 -0.007 0.000 1.055 66 L CA -0.418 54.418 54.840 -0.007 0.000 0.863 66 L CB 0.423 42.477 42.059 -0.007 0.000 1.245 66 L HN 0.343 nan 8.230 nan 0.000 0.432 67 E N 3.222 123.418 120.200 -0.008 0.000 2.250 67 E HA 0.262 4.611 4.350 -0.001 0.000 0.265 67 E C -1.505 175.088 176.600 -0.011 0.000 1.033 67 E CA -1.706 54.691 56.400 -0.006 0.000 0.888 67 E CB 1.229 30.928 29.700 -0.001 0.000 1.151 67 E HN 0.247 nan 8.360 nan 0.000 0.412 68 P HA -0.225 nan 4.420 nan 0.000 0.215 68 P C 0.529 177.820 177.300 -0.014 0.000 1.163 68 P CA 1.576 64.671 63.100 -0.009 0.000 0.894 68 P CB 0.111 31.810 31.700 -0.002 0.000 0.791 69 D N -1.967 118.431 120.400 -0.003 0.000 2.395 69 D HA 0.042 4.681 4.640 -0.001 0.000 0.213 69 D C 0.093 176.397 176.300 0.006 0.000 1.110 69 D CA -0.128 53.876 54.000 0.006 0.000 0.835 69 D CB -0.452 40.371 40.800 0.038 0.000 0.965 69 D HN 0.384 nan 8.370 nan 0.000 0.505 70 N N -1.603 117.093 118.700 -0.007 0.000 3.046 70 N HA 0.361 5.101 4.740 -0.001 0.000 0.243 70 N C -1.967 173.536 175.510 -0.011 0.000 1.452 70 N CA -0.969 52.081 53.050 0.001 0.000 0.882 70 N CB 1.659 40.168 38.487 0.037 0.000 1.425 70 N HN -0.214 nan 8.380 nan 0.000 0.517 71 V N -0.074 119.837 119.914 -0.006 0.000 2.409 71 V HA 0.749 4.868 4.120 -0.001 0.000 0.291 71 V C 0.526 176.625 176.094 0.009 0.000 1.020 71 V CA -0.654 61.641 62.300 -0.007 0.000 0.848 71 V CB 1.214 33.025 31.823 -0.019 0.000 0.990 71 V HN 0.887 nan 8.190 nan 0.000 0.430 72 G N 3.804 112.607 108.800 0.004 0.000 2.356 72 G HA2 0.494 4.453 3.960 -0.001 0.000 0.300 72 G HA3 0.494 4.453 3.960 -0.001 0.000 0.300 72 G C -0.601 174.301 174.900 0.004 0.000 1.107 72 G CA -0.159 44.944 45.100 0.004 0.000 0.960 72 G HN 0.534 nan 8.290 nan 0.000 0.418 73 V N 3.821 123.751 119.914 0.027 0.000 2.398 73 V HA 0.237 4.356 4.120 -0.001 0.000 0.286 73 V C 0.293 176.380 176.094 -0.012 0.000 1.026 73 V CA -0.745 61.576 62.300 0.036 0.000 0.868 73 V CB 1.657 33.569 31.823 0.150 0.000 0.982 73 V HN 0.476 nan 8.190 nan 0.000 0.443 74 V N 6.015 125.870 119.914 -0.099 0.000 2.498 74 V HA 0.286 4.405 4.120 -0.001 0.000 0.279 74 V C 0.065 175.971 176.094 -0.313 0.000 1.048 74 V CA -0.213 61.968 62.300 -0.198 0.000 0.967 74 V CB 1.837 33.528 31.823 -0.221 0.000 0.988 74 V HN 0.634 nan 8.190 nan 0.000 0.473 75 V N 6.035 125.787 119.914 -0.270 0.000 2.370 75 V HA 0.332 4.452 4.120 -0.001 0.000 0.279 75 V C -0.095 175.874 176.094 -0.207 0.000 1.029 75 V CA -0.462 61.684 62.300 -0.256 0.000 0.870 75 V CB 1.137 32.808 31.823 -0.252 0.000 0.984 75 V HN 0.694 nan 8.190 nan 0.000 0.451 76 F N 4.492 124.485 119.950 0.071 0.000 2.666 76 F HA 0.606 5.133 4.527 -0.001 0.000 0.362 76 F C 1.169 176.995 175.800 0.042 0.000 1.190 76 F CA 0.117 58.160 58.000 0.071 0.000 1.328 76 F CB -0.265 38.790 39.000 0.091 0.000 1.682 76 F HN 0.725 nan 8.300 nan 0.000 0.623 77 G N 0.238 109.121 108.800 0.138 0.000 2.343 77 G HA2 -0.024 3.935 3.960 -0.001 0.000 0.289 77 G HA3 -0.024 3.935 3.960 -0.001 0.000 0.289 77 G C -1.467 173.439 174.900 0.011 0.000 1.295 77 G CA -1.279 43.868 45.100 0.079 0.000 0.869 77 G HN 0.047 nan 8.290 nan 0.000 0.522 78 N N 1.544 120.245 118.700 0.002 0.000 2.427 78 N HA 0.063 4.803 4.740 -0.001 0.000 0.269 78 N C 1.186 176.657 175.510 -0.066 0.000 1.235 78 N CA 0.508 53.545 53.050 -0.022 0.000 0.934 78 N CB 0.729 39.211 38.487 -0.009 0.000 1.121 78 N HN 0.601 nan 8.380 nan 0.000 0.480 79 D N 3.315 123.662 120.400 -0.089 0.000 2.392 79 D HA -0.178 4.461 4.640 -0.001 0.000 0.228 79 D C 1.106 177.345 176.300 -0.102 0.000 1.003 79 D CA 0.380 54.297 54.000 -0.139 0.000 0.917 79 D CB 0.090 40.802 40.800 -0.146 0.000 0.890 79 D HN 0.704 nan 8.370 nan 0.000 0.532 80 K N 1.098 121.460 120.400 -0.064 0.000 2.283 80 K HA -0.107 4.212 4.320 -0.001 0.000 0.202 80 K C 1.853 178.427 176.600 -0.043 0.000 1.048 80 K CA 0.606 56.867 56.287 -0.044 0.000 0.948 80 K CB -0.352 32.133 32.500 -0.026 0.000 0.742 80 K HN 0.197 nan 8.250 nan 0.000 0.458 81 L N 1.234 122.427 121.223 -0.051 0.000 2.591 81 L HA 0.253 4.592 4.340 -0.001 0.000 0.228 81 L C 0.459 177.301 176.870 -0.046 0.000 1.133 81 L CA -0.103 54.717 54.840 -0.035 0.000 0.880 81 L CB -0.095 41.951 42.059 -0.021 0.000 1.033 81 L HN 0.108 nan 8.230 nan 0.000 0.450 82 I N 0.177 120.693 120.570 -0.090 0.000 2.377 82 I HA 0.286 4.456 4.170 -0.001 0.000 0.293 82 I C -0.142 175.947 176.117 -0.047 0.000 0.987 82 I CA -0.258 60.984 61.300 -0.097 0.000 1.185 82 I CB 1.397 39.235 38.000 -0.269 0.000 1.341 82 I HN 0.020 nan 8.210 nan 0.000 0.455 83 K N 4.429 124.829 120.400 -0.001 0.000 2.444 83 K HA 0.405 4.724 4.320 -0.001 0.000 0.252 83 K C -0.824 175.792 176.600 0.026 0.000 0.993 83 K CA -1.014 55.276 56.287 0.005 0.000 0.847 83 K CB 2.013 34.518 32.500 0.009 0.000 1.340 83 K HN 0.518 nan 8.250 nan 0.000 0.446 84 E N 0.210 120.421 120.200 0.017 0.000 2.442 84 E HA -0.015 4.334 4.350 -0.001 0.000 0.262 84 E C 0.533 177.152 176.600 0.030 0.000 1.004 84 E CA 1.436 57.851 56.400 0.024 0.000 0.928 84 E CB 0.121 29.827 29.700 0.010 0.000 0.937 84 E HN 0.752 nan 8.360 nan 0.000 0.446 85 G N 3.891 112.715 108.800 0.039 0.000 2.284 85 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.230 85 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.230 85 G C -0.060 174.872 174.900 0.054 0.000 1.021 85 G CA 0.100 45.221 45.100 0.035 0.000 0.619 85 G HN 0.687 nan 8.290 nan 0.000 0.510 86 D N 0.632 121.078 120.400 0.077 0.000 2.474 86 D HA 0.327 4.967 4.640 -0.001 0.000 0.232 86 D C 0.664 177.018 176.300 0.091 0.000 1.177 86 D CA 0.251 54.311 54.000 0.100 0.000 0.876 86 D CB 0.510 41.407 40.800 0.162 0.000 1.208 86 D HN 0.287 nan 8.370 nan 0.000 0.464 87 I N 1.404 122.014 120.570 0.066 0.000 2.428 87 I HA 0.136 4.306 4.170 -0.001 0.000 0.289 87 I C -0.394 175.708 176.117 -0.024 0.000 1.019 87 I CA -0.186 61.128 61.300 0.023 0.000 1.351 87 I CB 1.283 39.291 38.000 0.013 0.000 1.412 87 I HN 0.016 nan 8.210 nan 0.000 0.513 88 V N 6.767 126.620 119.914 -0.101 0.000 2.540 88 V HA 0.502 4.621 4.120 -0.001 0.000 0.302 88 V C -0.297 175.683 176.094 -0.190 0.000 1.035 88 V CA -1.017 61.112 62.300 -0.286 0.000 0.873 88 V CB 1.619 33.182 31.823 -0.434 0.000 0.992 88 V HN 0.554 nan 8.190 nan 0.000 0.428 89 K N 3.670 123.954 120.400 -0.194 0.000 2.270 89 K HA 0.627 4.947 4.320 -0.001 0.000 0.255 89 K C -0.264 176.271 176.600 -0.109 0.000 0.936 89 K CA -0.870 55.348 56.287 -0.114 0.000 0.809 89 K CB 2.606 35.063 32.500 -0.072 0.000 1.131 89 K HN 0.590 nan 8.250 nan 0.000 0.427 90 R N 0.228 120.683 120.500 -0.075 0.000 2.893 90 R HA 0.071 4.410 4.340 -0.001 0.000 0.279 90 R C 0.633 176.910 176.300 -0.037 0.000 1.076 90 R CA 0.147 56.214 56.100 -0.056 0.000 1.203 90 R CB 0.220 30.497 30.300 -0.039 0.000 1.137 90 R HN 0.568 nan 8.270 nan 0.000 0.541 91 T N -0.990 113.552 114.554 -0.020 0.000 2.969 91 T HA 0.170 4.519 4.350 -0.001 0.000 0.258 91 T C 1.012 175.711 174.700 -0.001 0.000 0.962 91 T CA 0.396 62.493 62.100 -0.006 0.000 0.903 91 T CB 0.706 69.579 68.868 0.008 0.000 1.177 91 T HN 0.895 nan 8.240 nan 0.000 0.511 92 G N 1.891 110.689 108.800 -0.004 0.000 2.189 92 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.267 92 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.267 92 G C 0.204 175.108 174.900 0.006 0.000 0.975 92 G CA 0.246 45.345 45.100 -0.001 0.000 0.644 92 G HN 0.958 nan 8.290 nan 0.000 0.537 93 A N 0.691 123.517 122.820 0.011 0.000 2.318 93 A HA 0.751 5.071 4.320 -0.001 0.000 0.324 93 A C 0.422 178.021 177.584 0.026 0.000 1.170 93 A CA -0.722 51.325 52.037 0.017 0.000 0.810 93 A CB 0.826 19.836 19.000 0.016 0.000 1.198 93 A HN 0.512 nan 8.150 nan 0.000 0.484 94 I N 2.629 123.214 120.570 0.024 0.000 2.648 94 I HA 0.023 4.192 4.170 -0.001 0.000 0.284 94 I C 0.611 176.749 176.117 0.036 0.000 1.153 94 I CA 0.095 61.413 61.300 0.031 0.000 1.426 94 I CB 0.763 38.777 38.000 0.023 0.000 1.381 94 I HN 0.382 nan 8.210 nan 0.000 0.571 95 V N 6.802 126.748 119.914 0.055 0.000 2.678 95 V HA -0.138 3.981 4.120 -0.001 0.000 0.304 95 V C 0.283 176.388 176.094 0.017 0.000 1.086 95 V CA 0.620 62.952 62.300 0.052 0.000 1.246 95 V CB -0.538 31.339 31.823 0.090 0.000 0.861 95 V HN 0.973 nan 8.190 nan 0.000 0.491 96 D N 3.514 123.915 120.400 0.001 0.000 2.812 96 D HA 0.794 5.433 4.640 -0.001 0.000 0.318 96 D C -0.644 175.641 176.300 -0.023 0.000 1.234 96 D CA -0.344 53.652 54.000 -0.006 0.000 0.989 96 D CB 2.062 42.863 40.800 0.002 0.000 1.442 96 D HN 0.667 nan 8.370 nan 0.000 0.537 97 V N -6.112 113.790 119.914 -0.019 0.000 3.225 97 V HA 0.626 4.745 4.120 -0.001 0.000 0.293 97 V C -3.010 173.066 176.094 -0.030 0.000 1.405 97 V CA -2.009 60.274 62.300 -0.030 0.000 1.038 97 V CB 1.360 33.164 31.823 -0.032 0.000 1.123 97 V HN 0.575 nan 8.190 nan 0.000 0.447 98 P HA 0.269 nan 4.420 nan 0.000 0.266 98 P C -0.607 176.646 177.300 -0.078 0.000 1.186 98 P CA 0.403 63.469 63.100 -0.058 0.000 0.767 98 P CB 0.786 32.452 31.700 -0.057 0.000 0.820 99 V N 1.206 121.039 119.914 -0.135 0.000 3.147 99 V HA 0.826 4.945 4.120 -0.001 0.000 0.306 99 V C 0.153 175.945 176.094 -0.502 0.000 1.209 99 V CA 0.452 62.623 62.300 -0.215 0.000 1.023 99 V CB 2.124 33.886 31.823 -0.102 0.000 1.059 99 V HN 1.038 nan 8.190 nan 0.000 0.435 100 G N 2.560 110.808 108.800 -0.921 0.000 2.423 100 G HA2 -0.051 3.909 3.960 -0.001 0.000 0.684 100 G HA3 -0.051 3.909 3.960 -0.001 0.000 0.684 100 G C 0.040 174.464 174.900 -0.793 0.000 1.309 100 G CA 0.161 44.337 45.100 -1.541 0.000 0.950 100 G HN 0.768 nan 8.290 nan 0.000 0.587 101 E N -0.248 119.571 120.200 -0.635 0.000 2.267 101 E HA -0.081 4.268 4.350 -0.001 0.000 0.197 101 E C 2.138 178.672 176.600 -0.109 0.000 0.998 101 E CA 1.771 58.041 56.400 -0.217 0.000 0.830 101 E CB 0.023 29.650 29.700 -0.121 0.000 0.751 101 E HN 0.549 nan 8.360 nan 0.000 0.491 102 E N -0.086 120.023 120.200 -0.152 0.000 2.153 102 E HA -0.165 4.184 4.350 -0.001 0.000 0.194 102 E C 1.696 178.268 176.600 -0.047 0.000 0.988 102 E CA 0.719 57.069 56.400 -0.083 0.000 0.811 102 E CB -0.052 29.594 29.700 -0.090 0.000 0.746 102 E HN 0.277 nan 8.360 nan 0.000 0.466 103 L N 0.263 121.454 121.223 -0.053 0.000 2.217 103 L HA -0.029 4.311 4.340 -0.001 0.000 0.211 103 L C 0.533 177.421 176.870 0.031 0.000 1.107 103 L CA 0.076 54.910 54.840 -0.009 0.000 0.783 103 L CB -0.503 41.552 42.059 -0.008 0.000 0.919 103 L HN 0.075 nan 8.230 nan 0.000 0.442 104 L N 0.529 121.790 121.223 0.064 0.000 2.573 104 L HA -0.004 4.335 4.340 -0.001 0.000 0.290 104 L C 1.531 178.428 176.870 0.046 0.000 1.247 104 L CA 0.762 55.654 54.840 0.086 0.000 0.876 104 L CB -0.517 41.625 42.059 0.139 0.000 1.123 104 L HN 0.388 nan 8.230 nan 0.000 0.505 105 G N 1.725 110.538 108.800 0.022 0.000 2.168 105 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.263 105 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.263 105 G C 0.362 175.259 174.900 -0.004 0.000 0.977 105 G CA 0.020 45.117 45.100 -0.005 0.000 0.659 105 G HN 0.603 nan 8.290 nan 0.000 0.533 106 R N -0.801 119.702 120.500 0.006 0.000 2.778 106 R HA 0.603 4.942 4.340 -0.001 0.000 0.277 106 R C -0.627 175.679 176.300 0.009 0.000 0.977 106 R CA -0.801 55.301 56.100 0.004 0.000 0.950 106 R CB 2.280 32.582 30.300 0.003 0.000 1.165 106 R HN 0.101 nan 8.270 nan 0.000 0.474 107 V N 3.303 123.223 119.914 0.009 0.000 2.311 107 V HA 0.225 4.344 4.120 -0.001 0.000 0.275 107 V C 0.326 176.430 176.094 0.016 0.000 1.022 107 V CA -0.670 61.640 62.300 0.017 0.000 0.830 107 V CB 0.987 32.819 31.823 0.017 0.000 1.012 107 V HN 0.546 nan 8.190 nan 0.000 0.452 108 V N 1.521 121.446 119.914 0.018 0.000 2.975 108 V HA 0.790 4.909 4.120 -0.001 0.000 0.318 108 V C -0.016 176.085 176.094 0.011 0.000 1.077 108 V CA -0.818 61.488 62.300 0.010 0.000 1.000 108 V CB 1.962 33.787 31.823 0.003 0.000 1.066 108 V HN 0.751 nan 8.190 nan 0.000 0.452 109 D N 1.998 122.400 120.400 0.004 0.000 2.478 109 D HA 0.433 5.072 4.640 -0.001 0.000 0.274 109 D C 1.112 177.404 176.300 -0.013 0.000 1.234 109 D CA -0.049 53.953 54.000 0.003 0.000 1.069 109 D CB 0.909 41.712 40.800 0.005 0.000 1.113 109 D HN 0.793 nan 8.370 nan 0.000 0.571 110 A N -0.950 121.857 122.820 -0.021 0.000 2.216 110 A HA 0.031 4.350 4.320 -0.001 0.000 0.214 110 A C 2.008 179.532 177.584 -0.100 0.000 1.160 110 A CA 0.684 52.692 52.037 -0.049 0.000 0.725 110 A CB -0.764 18.213 19.000 -0.037 0.000 0.784 110 A HN 0.502 nan 8.150 nan 0.000 0.472 111 L N -2.665 118.496 121.223 -0.103 0.000 2.664 111 L HA 0.328 4.667 4.340 -0.001 0.000 0.233 111 L C 1.664 178.491 176.870 -0.073 0.000 1.113 111 L CA 0.609 55.371 54.840 -0.130 0.000 0.896 111 L CB 0.454 42.413 42.059 -0.166 0.000 1.163 111 L HN 0.498 nan 8.230 nan 0.000 0.497 112 G N -0.729 108.044 108.800 -0.046 0.000 2.352 112 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.204 112 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.204 112 G C 0.187 175.073 174.900 -0.022 0.000 1.004 112 G CA -0.575 44.506 45.100 -0.032 0.000 0.648 112 G HN 0.245 nan 8.290 nan 0.000 0.491 113 N N 1.974 120.662 118.700 -0.020 0.000 2.356 113 N HA 0.420 5.159 4.740 -0.001 0.000 0.252 113 N C 0.743 176.250 175.510 -0.004 0.000 1.241 113 N CA 0.919 53.963 53.050 -0.009 0.000 0.861 113 N CB 0.957 39.441 38.487 -0.004 0.000 1.075 113 N HN 0.866 nan 8.380 nan 0.000 0.461 114 A N 1.918 124.736 122.820 -0.003 0.000 2.386 114 A HA 0.326 4.646 4.320 -0.001 0.000 0.248 114 A C 1.323 178.911 177.584 0.005 0.000 1.082 114 A CA -0.306 51.731 52.037 0.001 0.000 0.789 114 A CB -0.083 18.917 19.000 -0.001 0.000 1.025 114 A HN 0.827 nan 8.150 nan 0.000 0.490 115 I N -1.963 118.612 120.570 0.008 0.000 4.310 115 I HA 0.257 4.427 4.170 -0.001 0.000 0.328 115 I C -0.094 176.029 176.117 0.009 0.000 1.406 115 I CA -0.022 61.284 61.300 0.011 0.000 1.174 115 I CB 0.481 38.490 38.000 0.016 0.000 1.279 115 I HN 0.436 nan 8.210 nan 0.000 0.471 116 D N 1.145 121.549 120.400 0.006 0.000 2.342 116 D HA 0.150 4.789 4.640 -0.001 0.000 0.221 116 D C 1.576 177.877 176.300 0.002 0.000 1.101 116 D CA 0.219 54.221 54.000 0.003 0.000 0.837 116 D CB -0.097 40.704 40.800 0.000 0.000 0.938 116 D HN 0.382 nan 8.370 nan 0.000 0.508 117 G N 1.193 109.996 108.800 0.004 0.000 2.449 117 G HA2 -0.390 3.569 3.960 -0.001 0.000 0.304 117 G HA3 -0.390 3.569 3.960 -0.001 0.000 0.304 117 G C 0.614 175.515 174.900 0.001 0.000 0.962 117 G CA 0.560 45.662 45.100 0.003 0.000 0.943 117 G HN 0.461 nan 8.290 nan 0.000 0.514 118 K N -0.041 120.359 120.400 0.000 0.000 2.576 118 K HA 0.469 4.788 4.320 -0.001 0.000 0.209 118 K C 1.191 177.790 176.600 -0.001 0.000 1.049 118 K CA 0.328 56.615 56.287 -0.001 0.000 1.140 118 K CB 0.177 32.675 32.500 -0.002 0.000 0.871 118 K HN 1.305 nan 8.250 nan 0.000 0.479 119 G N 2.113 110.912 108.800 -0.001 0.000 2.699 119 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.686 119 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.686 119 G C -2.881 172.017 174.900 -0.004 0.000 1.301 119 G CA -1.333 43.766 45.100 -0.002 0.000 0.816 119 G HN 0.009 nan 8.290 nan 0.000 0.595 120 P HA 0.429 nan 4.420 nan 0.000 0.270 120 P C 0.448 177.740 177.300 -0.012 0.000 1.223 120 P CA -0.455 62.640 63.100 -0.008 0.000 0.785 120 P CB 0.404 32.100 31.700 -0.008 0.000 0.923 121 I N 0.846 121.405 120.570 -0.017 0.000 2.474 121 I HA 0.166 4.336 4.170 -0.001 0.000 0.287 121 I C 1.489 177.587 176.117 -0.031 0.000 1.048 121 I CA 0.003 61.287 61.300 -0.025 0.000 1.383 121 I CB 0.384 38.365 38.000 -0.032 0.000 1.412 121 I HN 0.460 nan 8.210 nan 0.000 0.531 122 G N 4.655 113.434 108.800 -0.035 0.000 3.541 122 G HA2 0.164 4.124 3.960 -0.001 0.000 0.253 122 G HA3 0.164 4.124 3.960 -0.001 0.000 0.253 122 G C 0.344 175.213 174.900 -0.052 0.000 1.017 122 G CA -0.208 44.871 45.100 -0.036 0.000 1.832 122 G HN 0.556 nan 8.290 nan 0.000 0.649 123 S N -0.104 115.561 115.700 -0.058 0.000 2.531 123 S HA 0.187 4.656 4.470 -0.001 0.000 0.279 123 S C 1.077 175.640 174.600 -0.062 0.000 1.305 123 S CA -0.156 57.998 58.200 -0.077 0.000 1.058 123 S CB 1.404 64.556 63.200 -0.080 0.000 0.899 123 S HN 0.583 nan 8.310 nan 0.000 0.493 124 K N 1.228 121.584 120.400 -0.073 0.000 2.391 124 K HA 0.336 4.655 4.320 -0.001 0.000 0.197 124 K C 0.333 176.907 176.600 -0.042 0.000 1.087 124 K CA 0.006 56.264 56.287 -0.048 0.000 1.012 124 K CB 0.699 33.176 32.500 -0.038 0.000 0.925 124 K HN 0.546 nan 8.250 nan 0.000 0.547 125 A N 1.542 124.322 122.820 -0.066 0.000 2.356 125 A HA 0.711 5.031 4.320 -0.001 0.000 0.323 125 A C -0.774 176.782 177.584 -0.046 0.000 1.119 125 A CA -0.689 51.324 52.037 -0.041 0.000 0.790 125 A CB 1.112 20.094 19.000 -0.030 0.000 1.273 125 A HN 0.074 nan 8.150 nan 0.000 0.452 126 R N -0.624 119.865 120.500 -0.018 0.000 2.867 126 R HA 0.793 5.132 4.340 -0.001 0.000 0.268 126 R C -1.024 175.280 176.300 0.006 0.000 1.014 126 R CA -0.908 55.183 56.100 -0.015 0.000 0.946 126 R CB 2.352 32.645 30.300 -0.011 0.000 1.208 126 R HN 0.748 nan 8.270 nan 0.000 0.477 127 R N 0.389 120.893 120.500 0.008 0.000 2.561 127 R HA 0.262 4.601 4.340 -0.001 0.000 0.266 127 R C -1.355 174.956 176.300 0.019 0.000 1.091 127 R CA -0.638 55.476 56.100 0.023 0.000 0.927 127 R CB 1.428 31.751 30.300 0.038 0.000 1.240 127 R HN 0.486 nan 8.270 nan 0.000 0.449 128 R N 2.435 122.948 120.500 0.021 0.000 2.489 128 R HA 0.047 4.387 4.340 -0.001 0.000 0.287 128 R C 1.332 177.643 176.300 0.019 0.000 1.053 128 R CA 0.444 56.554 56.100 0.016 0.000 1.036 128 R CB 0.735 31.044 30.300 0.015 0.000 0.966 128 R HN 0.618 nan 8.270 nan 0.000 0.432 129 V N 1.263 121.184 119.914 0.011 0.000 2.515 129 V HA -0.006 4.113 4.120 -0.001 0.000 0.250 129 V C 1.034 177.145 176.094 0.028 0.000 1.058 129 V CA 1.586 63.903 62.300 0.028 0.000 1.064 129 V CB -0.380 31.451 31.823 0.014 0.000 0.675 129 V HN 0.774 nan 8.190 nan 0.000 0.461 130 G N 1.268 110.052 108.800 -0.027 0.000 3.288 130 G HA2 0.634 4.593 3.960 -0.001 0.000 0.337 130 G HA3 0.634 4.593 3.960 -0.001 0.000 0.337 130 G C -0.719 174.170 174.900 -0.018 0.000 1.142 130 G CA -0.414 44.648 45.100 -0.063 0.000 1.304 130 G HN 0.369 nan 8.290 nan 0.000 0.475 131 L N 1.046 122.278 121.223 0.014 0.000 2.346 131 L HA 0.474 4.813 4.340 -0.001 0.000 0.276 131 L C 0.564 177.449 176.870 0.025 0.000 1.006 131 L CA -1.032 53.820 54.840 0.020 0.000 0.817 131 L CB 2.413 44.489 42.059 0.029 0.000 1.272 131 L HN 0.248 nan 8.230 nan 0.000 0.421 132 K N 1.584 122.000 120.400 0.025 0.000 2.380 132 K HA 0.367 4.687 4.320 -0.001 0.000 0.267 132 K C -0.020 176.593 176.600 0.022 0.000 0.990 132 K CA -0.212 56.094 56.287 0.031 0.000 0.946 132 K CB 0.829 33.350 32.500 0.035 0.000 0.937 132 K HN 0.697 nan 8.250 nan 0.000 0.491 133 A N 4.825 127.656 122.820 0.019 0.000 2.407 133 A HA 0.265 4.584 4.320 -0.001 0.000 0.248 133 A C -2.109 175.467 177.584 -0.014 0.000 1.082 133 A CA -1.283 50.758 52.037 0.005 0.000 0.785 133 A CB -0.341 18.662 19.000 0.005 0.000 1.020 133 A HN 0.604 nan 8.150 nan 0.000 0.489 134 P HA 0.080 nan 4.420 nan 0.000 0.264 134 P C 0.728 177.982 177.300 -0.077 0.000 1.183 134 P CA 0.605 63.655 63.100 -0.084 0.000 0.763 134 P CB 0.249 31.864 31.700 -0.141 0.000 0.807 135 G N 1.847 110.598 108.800 -0.081 0.000 2.479 135 G HA2 0.089 4.048 3.960 -0.001 0.000 0.275 135 G HA3 0.089 4.048 3.960 -0.001 0.000 0.275 135 G C 1.234 176.091 174.900 -0.071 0.000 1.421 135 G CA -0.610 44.455 45.100 -0.058 0.000 1.059 135 G HN 0.433 nan 8.290 nan 0.000 0.535 136 I N -0.211 120.332 120.570 -0.045 0.000 2.163 136 I HA -0.138 4.032 4.170 -0.001 0.000 0.240 136 I C 2.654 178.742 176.117 -0.048 0.000 1.081 136 I CA 0.703 61.981 61.300 -0.036 0.000 1.353 136 I CB -0.186 37.806 38.000 -0.014 0.000 1.054 136 I HN 0.239 nan 8.210 nan 0.000 0.407 137 I N 1.190 121.734 120.570 -0.043 0.000 2.163 137 I HA -0.165 4.005 4.170 -0.001 0.000 0.243 137 I C -0.314 175.755 176.117 -0.080 0.000 1.085 137 I CA 1.763 63.049 61.300 -0.022 0.000 1.347 137 I CB -2.725 35.293 38.000 0.030 0.000 1.044 137 I HN 0.191 nan 8.210 nan 0.000 0.408 138 P HA -0.034 nan 4.420 nan 0.000 0.239 138 P C 0.067 177.131 177.300 -0.394 0.000 1.184 138 P CA 0.774 63.423 63.100 -0.750 0.000 0.760 138 P CB 0.038 31.001 31.700 -1.228 0.000 0.884 139 R N -0.596 119.802 120.500 -0.169 0.000 2.923 139 R HA 0.757 5.096 4.340 -0.001 0.000 0.252 139 R C -0.770 175.516 176.300 -0.023 0.000 1.130 139 R CA -1.103 54.944 56.100 -0.088 0.000 1.043 139 R CB 1.153 31.409 30.300 -0.074 0.000 1.205 139 R HN -0.154 nan 8.270 nan 0.000 0.495 140 I N -0.512 120.054 120.570 -0.006 0.000 2.686 140 I HA 0.240 4.409 4.170 -0.001 0.000 0.295 140 I C -0.674 175.442 176.117 -0.001 0.000 1.114 140 I CA -0.244 61.061 61.300 0.008 0.000 1.038 140 I CB 2.545 40.561 38.000 0.026 0.000 1.238 140 I HN 0.599 nan 8.210 nan 0.000 0.420 141 S N 3.988 119.687 115.700 -0.002 0.000 2.571 141 S HA 0.107 4.576 4.470 -0.001 0.000 0.298 141 S C -0.131 174.461 174.600 -0.013 0.000 1.280 141 S CA -0.390 57.805 58.200 -0.007 0.000 1.052 141 S CB 0.109 63.306 63.200 -0.005 0.000 0.799 141 S HN 0.462 nan 8.310 nan 0.000 0.501 142 V N 4.914 124.816 119.914 -0.020 0.000 2.493 142 V HA 0.065 4.185 4.120 -0.001 0.000 0.292 142 V C 1.110 177.184 176.094 -0.034 0.000 1.016 142 V CA 0.811 63.091 62.300 -0.033 0.000 1.097 142 V CB 0.350 32.152 31.823 -0.035 0.000 0.947 142 V HN 0.839 nan 8.190 nan 0.000 0.479 143 R N 1.800 122.273 120.500 -0.044 0.000 2.576 143 R HA 0.208 4.548 4.340 -0.001 0.000 0.237 143 R C 0.035 176.301 176.300 -0.057 0.000 0.917 143 R CA -0.209 55.867 56.100 -0.040 0.000 1.002 143 R CB 0.633 30.917 30.300 -0.026 0.000 1.428 143 R HN 0.730 nan 8.270 nan 0.000 0.603 144 E N 3.178 123.327 120.200 -0.085 0.000 2.259 144 E HA 0.210 4.559 4.350 -0.001 0.000 0.281 144 E C -2.457 174.063 176.600 -0.132 0.000 1.027 144 E CA -2.332 54.000 56.400 -0.114 0.000 0.838 144 E CB 0.687 30.289 29.700 -0.162 0.000 1.066 144 E HN -0.111 nan 8.360 nan 0.000 0.401 145 P HA -0.026 nan 4.420 nan 0.000 0.270 145 P C -0.532 176.666 177.300 -0.169 0.000 1.223 145 P CA -0.097 62.933 63.100 -0.116 0.000 0.785 145 P CB 0.444 32.089 31.700 -0.092 0.000 0.923 146 M N 2.062 121.580 119.600 -0.136 0.000 1.980 146 M HA 0.154 4.633 4.480 -0.001 0.000 0.282 146 M C -1.076 175.176 176.300 -0.080 0.000 0.878 146 M CA -0.585 54.629 55.300 -0.145 0.000 0.900 146 M CB 0.633 33.160 32.600 -0.120 0.000 1.577 146 M HN 0.270 nan 8.290 nan 0.000 0.396 147 Q N 2.313 122.074 119.800 -0.065 0.000 2.296 147 Q HA 0.243 4.582 4.340 -0.001 0.000 0.262 147 Q C 1.184 177.219 176.000 0.059 0.000 0.981 147 Q CA 0.152 55.970 55.803 0.025 0.000 0.905 147 Q CB 0.837 29.641 28.738 0.109 0.000 1.186 147 Q HN 0.787 nan 8.270 nan 0.000 0.399 148 T N -1.152 113.424 114.554 0.037 0.000 2.894 148 T HA 0.134 4.483 4.350 -0.001 0.000 0.258 148 T C 1.229 175.953 174.700 0.041 0.000 1.043 148 T CA 0.813 62.934 62.100 0.034 0.000 1.141 148 T CB 0.075 68.952 68.868 0.015 0.000 0.873 148 T HN 0.821 nan 8.240 nan 0.000 0.449 149 G N 1.305 110.127 108.800 0.037 0.000 2.192 149 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.193 149 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.193 149 G C -0.008 174.897 174.900 0.009 0.000 0.999 149 G CA -0.165 44.950 45.100 0.025 0.000 0.659 149 G HN 0.647 nan 8.290 nan 0.000 0.503 150 I N 1.728 122.302 120.570 0.007 0.000 2.328 150 I HA 0.277 4.447 4.170 -0.001 0.000 0.287 150 I C 1.536 177.656 176.117 0.005 0.000 1.012 150 I CA -0.881 60.419 61.300 -0.002 0.000 1.195 150 I CB 1.329 39.324 38.000 -0.009 0.000 1.350 150 I HN 0.000 nan 8.210 nan 0.000 0.464 151 K N 4.546 124.949 120.400 0.005 0.000 2.000 151 K HA -0.267 4.052 4.320 -0.001 0.000 0.218 151 K C 2.158 178.764 176.600 0.011 0.000 1.053 151 K CA 1.965 58.258 56.287 0.011 0.000 0.946 151 K CB -0.386 32.122 32.500 0.013 0.000 0.723 151 K HN 0.780 nan 8.250 nan 0.000 0.446 152 A N 1.181 124.005 122.820 0.007 0.000 1.915 152 A HA -0.225 4.094 4.320 -0.001 0.000 0.220 152 A C 2.491 180.083 177.584 0.013 0.000 1.198 152 A CA 2.293 54.336 52.037 0.010 0.000 0.647 152 A CB -0.975 18.028 19.000 0.005 0.000 0.825 152 A HN 0.149 nan 8.150 nan 0.000 0.456 153 V N 0.086 120.006 119.914 0.010 0.000 2.256 153 V HA -0.155 3.964 4.120 -0.001 0.000 0.240 153 V C 2.066 178.166 176.094 0.011 0.000 1.036 153 V CA 2.063 64.370 62.300 0.012 0.000 1.008 153 V CB -0.792 31.036 31.823 0.009 0.000 0.648 153 V HN 0.506 nan 8.190 nan 0.000 0.453 154 D N 0.446 120.853 120.400 0.011 0.000 2.311 154 D HA -0.113 4.526 4.640 -0.001 0.000 0.212 154 D C 2.262 178.569 176.300 0.012 0.000 0.972 154 D CA 1.675 55.681 54.000 0.010 0.000 0.887 154 D CB -0.047 40.762 40.800 0.015 0.000 0.915 154 D HN 0.622 nan 8.370 nan 0.000 0.497 155 S N -0.954 114.754 115.700 0.014 0.000 2.460 155 S HA 0.103 4.572 4.470 -0.001 0.000 0.226 155 S C 2.003 176.612 174.600 0.014 0.000 1.057 155 S CA -0.090 58.119 58.200 0.015 0.000 0.948 155 S CB -0.103 63.107 63.200 0.017 0.000 0.822 155 S HN 0.158 nan 8.310 nan 0.000 0.512 156 L N 1.462 122.694 121.223 0.016 0.000 2.316 156 L HA 0.338 4.677 4.340 -0.001 0.000 0.207 156 L C 0.358 177.240 176.870 0.019 0.000 1.070 156 L CA 0.168 55.019 54.840 0.019 0.000 0.820 156 L CB 0.320 42.394 42.059 0.025 0.000 0.992 156 L HN 0.333 nan 8.230 nan 0.000 0.466 157 V N -2.522 117.403 119.914 0.018 0.000 2.384 157 V HA 0.427 4.546 4.120 -0.001 0.000 0.257 157 V C -2.694 173.406 176.094 0.009 0.000 0.969 157 V CA -2.057 60.254 62.300 0.017 0.000 0.910 157 V CB -0.180 31.658 31.823 0.025 0.000 1.150 157 V HN -0.102 nan 8.190 nan 0.000 0.481 158 P HA 0.244 nan 4.420 nan 0.000 0.265 158 P C -0.370 176.924 177.300 -0.011 0.000 1.187 158 P CA 0.664 63.761 63.100 -0.004 0.000 0.766 158 P CB 0.936 32.633 31.700 -0.006 0.000 0.820 159 I N 1.855 122.413 120.570 -0.020 0.000 2.436 159 I HA 0.481 4.650 4.170 -0.001 0.000 0.289 159 I C 0.979 177.067 176.117 -0.049 0.000 1.010 159 I CA -0.454 60.828 61.300 -0.029 0.000 1.098 159 I CB 2.107 40.090 38.000 -0.028 0.000 1.266 159 I HN 0.295 nan 8.210 nan 0.000 0.434 160 G N 4.749 113.516 108.800 -0.055 0.000 2.491 160 G HA2 0.597 4.556 3.960 -0.001 0.000 0.327 160 G HA3 0.597 4.556 3.960 -0.001 0.000 0.327 160 G C -0.559 174.284 174.900 -0.096 0.000 1.189 160 G CA -0.837 44.217 45.100 -0.076 0.000 0.956 160 G HN 0.513 nan 8.290 nan 0.000 0.491 161 R N -0.502 119.916 120.500 -0.136 0.000 2.340 161 R HA 0.459 4.798 4.340 -0.001 0.000 0.300 161 R C 1.037 177.271 176.300 -0.110 0.000 1.069 161 R CA 0.845 56.847 56.100 -0.164 0.000 0.984 161 R CB 1.111 31.228 30.300 -0.306 0.000 1.003 161 R HN 1.057 nan 8.270 nan 0.000 0.459 162 G N 1.474 110.229 108.800 -0.076 0.000 2.195 162 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.224 162 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.224 162 G C 0.132 175.014 174.900 -0.030 0.000 0.990 162 G CA -0.247 44.829 45.100 -0.040 0.000 0.639 162 G HN 0.562 nan 8.290 nan 0.000 0.514 163 Q N 0.152 119.929 119.800 -0.038 0.000 2.259 163 Q HA 0.659 4.998 4.340 -0.001 0.000 0.246 163 Q C -0.013 175.975 176.000 -0.020 0.000 0.920 163 Q CA -0.588 55.199 55.803 -0.027 0.000 0.895 163 Q CB 0.491 29.211 28.738 -0.031 0.000 1.220 163 Q HN 0.381 nan 8.270 nan 0.000 0.439 164 R N 2.204 122.699 120.500 -0.008 0.000 2.310 164 R HA 0.263 4.602 4.340 -0.001 0.000 0.324 164 R C -1.284 175.016 176.300 -0.000 0.000 0.955 164 R CA -0.429 55.670 56.100 -0.000 0.000 0.830 164 R CB 1.423 31.730 30.300 0.011 0.000 1.154 164 R HN 0.465 nan 8.270 nan 0.000 0.458 165 E N 3.200 123.398 120.200 -0.003 0.000 2.199 165 E HA 0.286 4.636 4.350 -0.001 0.000 0.265 165 E C -1.538 175.066 176.600 0.007 0.000 0.882 165 E CA -0.898 55.503 56.400 0.003 0.000 0.759 165 E CB 1.188 30.887 29.700 -0.000 0.000 1.148 165 E HN 0.351 nan 8.360 nan 0.000 0.412 166 L N 5.352 126.583 121.223 0.014 0.000 2.326 166 L HA 0.508 4.847 4.340 -0.001 0.000 0.278 166 L C -0.972 175.918 176.870 0.033 0.000 1.092 166 L CA -0.118 54.732 54.840 0.017 0.000 0.810 166 L CB 0.765 42.832 42.059 0.014 0.000 1.153 166 L HN 0.672 nan 8.230 nan 0.000 0.439 167 I N 6.796 127.384 120.570 0.031 0.000 2.307 167 I HA 0.394 4.564 4.170 -0.001 0.000 0.289 167 I C -0.369 175.785 176.117 0.063 0.000 1.021 167 I CA -0.149 61.178 61.300 0.045 0.000 1.224 167 I CB 1.148 39.167 38.000 0.031 0.000 1.376 167 I HN 0.549 nan 8.210 nan 0.000 0.470 168 I N 5.354 125.991 120.570 0.111 0.000 2.647 168 I HA 0.902 5.071 4.170 -0.001 0.000 0.295 168 I C -0.364 175.878 176.117 0.210 0.000 1.078 168 I CA -0.074 61.315 61.300 0.148 0.000 1.048 168 I CB 2.127 40.223 38.000 0.160 0.000 1.239 168 I HN 0.683 nan 8.210 nan 0.000 0.421 169 G N 5.184 114.080 108.800 0.160 0.000 2.328 169 G HA2 0.157 4.117 3.960 -0.001 0.000 0.295 169 G HA3 0.157 4.117 3.960 -0.001 0.000 0.295 169 G C -1.878 173.057 174.900 0.058 0.000 1.413 169 G CA -0.753 44.403 45.100 0.094 0.000 0.817 169 G HN 0.530 nan 8.290 nan 0.000 0.546 170 D N 0.053 120.463 120.400 0.018 0.000 2.393 170 D HA 0.270 4.909 4.640 -0.001 0.000 0.246 170 D C 1.053 177.340 176.300 -0.021 0.000 1.275 170 D CA -0.052 53.958 54.000 0.016 0.000 0.979 170 D CB 0.551 41.358 40.800 0.011 0.000 1.101 170 D HN 0.672 nan 8.370 nan 0.000 0.505 171 R N 0.170 120.663 120.500 -0.012 0.000 2.640 171 R HA -0.026 4.313 4.340 -0.001 0.000 0.270 171 R C 0.003 176.253 176.300 -0.084 0.000 1.024 171 R CA -0.167 55.917 56.100 -0.026 0.000 1.085 171 R CB 0.169 30.466 30.300 -0.005 0.000 0.963 171 R HN 0.230 nan 8.270 nan 0.000 0.426 172 Q N -0.266 119.475 119.800 -0.098 0.000 2.480 172 Q HA -0.166 4.173 4.340 -0.001 0.000 0.265 172 Q C 0.373 176.146 176.000 -0.379 0.000 1.072 172 Q CA 1.877 57.568 55.803 -0.188 0.000 1.018 172 Q CB -2.009 26.625 28.738 -0.174 0.000 1.433 172 Q HN 1.009 nan 8.270 nan 0.000 0.513 173 T N -4.723 109.654 114.554 -0.295 0.000 3.086 173 T HA 0.421 4.771 4.350 -0.001 0.000 0.250 173 T C 1.250 175.843 174.700 -0.178 0.000 1.074 173 T CA 0.808 62.671 62.100 -0.395 0.000 0.988 173 T CB 0.897 69.625 68.868 -0.232 0.000 0.988 173 T HN 0.787 nan 8.240 nan 0.000 0.530 174 G N 1.653 110.396 108.800 -0.095 0.000 2.143 174 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.175 174 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.175 174 G C 0.714 175.620 174.900 0.011 0.000 1.004 174 G CA 0.127 45.242 45.100 0.025 0.000 0.671 174 G HN 0.501 nan 8.290 nan 0.000 0.512 175 K N -0.123 120.276 120.400 -0.002 0.000 2.009 175 K HA -0.076 4.243 4.320 -0.001 0.000 0.210 175 K C 2.559 179.177 176.600 0.031 0.000 1.049 175 K CA 2.009 58.305 56.287 0.015 0.000 0.929 175 K CB -0.386 32.126 32.500 0.019 0.000 0.714 175 K HN 0.304 nan 8.250 nan 0.000 0.440 176 T N 0.917 115.497 114.554 0.043 0.000 2.788 176 T HA -0.122 4.227 4.350 -0.001 0.000 0.268 176 T C 2.048 176.770 174.700 0.037 0.000 1.044 176 T CA 1.550 63.694 62.100 0.073 0.000 1.139 176 T CB -0.239 68.681 68.868 0.087 0.000 0.867 176 T HN 0.179 nan 8.240 nan 0.000 0.454 177 S N 1.520 117.222 115.700 0.003 0.000 2.365 177 S HA -0.108 4.362 4.470 -0.001 0.000 0.225 177 S C 2.046 176.617 174.600 -0.048 0.000 1.039 177 S CA 0.973 59.141 58.200 -0.054 0.000 1.033 177 S CB -0.469 62.679 63.200 -0.086 0.000 0.887 177 S HN 0.344 nan 8.310 nan 0.000 0.447 178 I N 2.192 122.749 120.570 -0.021 0.000 2.145 178 I HA -0.277 3.892 4.170 -0.001 0.000 0.244 178 I C 2.743 178.862 176.117 0.004 0.000 1.075 178 I CA 1.711 63.004 61.300 -0.012 0.000 1.332 178 I CB -1.826 36.176 38.000 0.003 0.000 1.033 178 I HN 0.285 nan 8.210 nan 0.000 0.410 179 A N 0.995 123.832 122.820 0.028 0.000 1.902 179 A HA -0.162 4.157 4.320 -0.001 0.000 0.217 179 A C 2.237 179.846 177.584 0.042 0.000 1.181 179 A CA 1.312 53.382 52.037 0.056 0.000 0.623 179 A CB -0.514 18.560 19.000 0.124 0.000 0.818 179 A HN 0.279 nan 8.150 nan 0.000 0.443 180 I N 0.514 121.092 120.570 0.012 0.000 2.113 180 I HA -0.201 3.968 4.170 -0.001 0.000 0.238 180 I C 1.959 178.085 176.117 0.016 0.000 1.070 180 I CA 1.732 63.029 61.300 -0.006 0.000 1.332 180 I CB -1.807 36.193 38.000 0.001 0.000 1.044 180 I HN 0.254 nan 8.210 nan 0.000 0.402 181 D N 0.639 121.029 120.400 -0.016 0.000 2.172 181 D HA -0.184 4.455 4.640 -0.001 0.000 0.196 181 D C 2.193 178.510 176.300 0.027 0.000 0.999 181 D CA 1.797 55.791 54.000 -0.008 0.000 0.856 181 D CB -0.198 40.567 40.800 -0.057 0.000 0.934 181 D HN 0.268 nan 8.370 nan 0.000 0.453 182 T N 0.164 114.736 114.554 0.030 0.000 2.708 182 T HA -0.069 4.281 4.350 -0.001 0.000 0.266 182 T C 2.109 176.858 174.700 0.081 0.000 1.037 182 T CA 0.614 62.743 62.100 0.048 0.000 1.146 182 T CB -0.183 68.706 68.868 0.035 0.000 0.865 182 T HN 0.178 nan 8.240 nan 0.000 0.435 183 I N 0.397 121.018 120.570 0.084 0.000 2.226 183 I HA -0.138 4.032 4.170 -0.001 0.000 0.245 183 I C 2.266 178.503 176.117 0.201 0.000 1.100 183 I CA 1.391 62.771 61.300 0.134 0.000 1.374 183 I CB -0.401 37.636 38.000 0.062 0.000 1.057 183 I HN 0.225 nan 8.210 nan 0.000 0.413 184 I N 0.925 121.571 120.570 0.126 0.000 2.315 184 I HA -0.294 3.875 4.170 -0.001 0.000 0.248 184 I C 2.231 178.415 176.117 0.110 0.000 1.117 184 I CA 1.362 62.740 61.300 0.131 0.000 1.404 184 I CB -0.339 37.720 38.000 0.097 0.000 1.071 184 I HN 0.284 nan 8.210 nan 0.000 0.419 185 N N 0.473 119.220 118.700 0.079 0.000 2.364 185 N HA -0.208 4.531 4.740 -0.001 0.000 0.183 185 N C 1.672 177.182 175.510 0.000 0.000 1.022 185 N CA 0.970 54.038 53.050 0.031 0.000 0.883 185 N CB 0.109 38.631 38.487 0.059 0.000 0.965 185 N HN 0.191 nan 8.380 nan 0.000 0.438 186 Q N 0.213 120.060 119.800 0.077 0.000 2.488 186 Q HA -0.047 4.293 4.340 -0.001 0.000 0.211 186 Q C 1.490 177.332 176.000 -0.264 0.000 0.967 186 Q CA 0.459 56.286 55.803 0.040 0.000 0.926 186 Q CB -0.087 28.654 28.738 0.005 0.000 0.992 186 Q HN 0.513 nan 8.270 nan 0.000 0.506 187 K N 1.105 121.375 120.400 -0.216 0.000 2.057 187 K HA -0.116 4.203 4.320 -0.001 0.000 0.207 187 K C 1.848 178.251 176.600 -0.327 0.000 1.049 187 K CA 0.762 56.903 56.287 -0.244 0.000 0.931 187 K CB 0.141 32.622 32.500 -0.032 0.000 0.714 187 K HN 0.094 nan 8.250 nan 0.000 0.440 188 R N -0.354 119.865 120.500 -0.467 0.000 2.191 188 R HA -0.229 4.111 4.340 -0.001 0.000 0.248 188 R C 2.249 178.183 176.300 -0.609 0.000 1.127 188 R CA 2.572 58.278 56.100 -0.658 0.000 0.943 188 R CB -0.718 28.825 30.300 -1.261 0.000 0.891 188 R HN 0.259 nan 8.270 nan 0.000 0.439 189 F N 0.050 119.910 119.950 -0.150 0.000 2.335 189 F HA 0.052 4.578 4.527 -0.001 0.000 0.296 189 F C 2.066 177.753 175.800 -0.189 0.000 1.091 189 F CA 0.301 58.211 58.000 -0.149 0.000 1.399 189 F CB -0.498 38.413 39.000 -0.147 0.000 1.067 189 F HN -0.065 nan 8.300 nan 0.000 0.520 190 N N 0.368 118.979 118.700 -0.148 0.000 2.309 190 N HA -0.134 4.605 4.740 -0.001 0.000 0.182 190 N C 1.065 176.497 175.510 -0.129 0.000 1.018 190 N CA 1.223 54.132 53.050 -0.236 0.000 0.876 190 N CB -0.428 37.720 38.487 -0.564 0.000 0.972 190 N HN 0.228 nan 8.380 nan 0.000 0.434 191 D N -0.110 120.215 120.400 -0.124 0.000 2.347 191 D HA 0.076 4.716 4.640 -0.001 0.000 0.213 191 D C 1.151 177.422 176.300 -0.047 0.000 0.985 191 D CA 0.195 54.155 54.000 -0.065 0.000 0.879 191 D CB -0.136 40.624 40.800 -0.066 0.000 0.919 191 D HN 0.142 nan 8.370 nan 0.000 0.526 192 G N -0.654 108.116 108.800 -0.050 0.000 2.588 192 G HA2 0.203 4.162 3.960 -0.001 0.000 0.278 192 G HA3 0.203 4.162 3.960 -0.001 0.000 0.278 192 G C 1.045 175.943 174.900 -0.002 0.000 1.307 192 G CA -0.039 45.049 45.100 -0.022 0.000 1.016 192 G HN 0.008 nan 8.290 nan 0.000 0.503 193 T N -0.314 114.244 114.554 0.007 0.000 2.781 193 T HA 0.001 4.350 4.350 -0.001 0.000 0.252 193 T C 0.954 175.665 174.700 0.018 0.000 1.039 193 T CA 0.693 62.800 62.100 0.012 0.000 1.147 193 T CB -0.265 68.608 68.868 0.009 0.000 0.865 193 T HN 0.489 nan 8.240 nan 0.000 0.423 194 D N 1.667 122.080 120.400 0.022 0.000 2.581 194 D HA -0.030 4.609 4.640 -0.001 0.000 0.238 194 D C 0.653 176.963 176.300 0.018 0.000 1.145 194 D CA 0.333 54.346 54.000 0.022 0.000 0.866 194 D CB 0.936 41.753 40.800 0.029 0.000 1.151 194 D HN 0.192 nan 8.370 nan 0.000 0.500 195 E N 2.346 122.554 120.200 0.014 0.000 2.385 195 E HA -0.009 4.340 4.350 -0.001 0.000 0.194 195 E C 1.441 178.032 176.600 -0.015 0.000 1.013 195 E CA 0.516 56.923 56.400 0.012 0.000 0.866 195 E CB 0.307 30.026 29.700 0.031 0.000 0.832 195 E HN 0.437 nan 8.360 nan 0.000 0.500 196 K N 0.047 120.443 120.400 -0.007 0.000 2.228 196 K HA 0.030 4.349 4.320 -0.001 0.000 0.202 196 K C 1.582 178.236 176.600 0.089 0.000 1.051 196 K CA 0.664 56.956 56.287 0.008 0.000 0.960 196 K CB 0.181 32.704 32.500 0.038 0.000 0.743 196 K HN -0.068 nan 8.250 nan 0.000 0.458 197 K N 1.131 121.539 120.400 0.013 0.000 2.400 197 K HA 0.040 4.359 4.320 -0.001 0.000 0.194 197 K C 0.093 176.625 176.600 -0.114 0.000 1.033 197 K CA 0.281 56.521 56.287 -0.078 0.000 1.021 197 K CB 0.296 32.754 32.500 -0.069 0.000 0.808 197 K HN 0.074 nan 8.250 nan 0.000 0.505 198 K N 1.230 121.589 120.400 -0.069 0.000 2.355 198 K HA 0.108 4.428 4.320 -0.001 0.000 0.270 198 K C -0.597 175.844 176.600 -0.266 0.000 1.003 198 K CA -0.171 55.999 56.287 -0.194 0.000 0.957 198 K CB 0.589 32.920 32.500 -0.281 0.000 0.939 198 K HN -0.163 nan 8.250 nan 0.000 0.482 199 L N 3.820 124.808 121.223 -0.392 0.000 2.446 199 L HA 0.288 4.628 4.340 -0.001 0.000 0.268 199 L C -1.636 174.996 176.870 -0.396 0.000 0.975 199 L CA -0.476 54.178 54.840 -0.309 0.000 0.848 199 L CB 0.726 42.687 42.059 -0.165 0.000 1.225 199 L HN 0.429 nan 8.230 nan 0.000 0.410 200 Y N 3.144 123.364 120.300 -0.134 0.000 2.319 200 Y HA 0.443 4.992 4.550 -0.001 0.000 0.328 200 Y C 0.651 176.445 175.900 -0.177 0.000 1.133 200 Y CA -0.044 57.928 58.100 -0.213 0.000 1.265 200 Y CB 0.854 38.875 38.460 -0.731 0.000 1.218 200 Y HN 0.502 nan 8.280 nan 0.000 0.508 201 C N 4.454 123.814 119.300 0.100 0.000 2.454 201 C HA 0.737 5.196 4.460 -0.001 0.000 0.336 201 C C -0.039 174.960 174.990 0.016 0.000 1.189 201 C CA -1.114 57.933 59.018 0.048 0.000 1.877 201 C CB 0.476 28.286 27.740 0.116 0.000 2.348 201 C HN 0.656 nan 8.230 nan 0.000 0.508 202 I N 1.574 122.144 120.570 -0.001 0.000 2.533 202 I HA 0.318 4.487 4.170 -0.001 0.000 0.290 202 I C -1.289 174.841 176.117 0.022 0.000 1.056 202 I CA -0.504 60.802 61.300 0.009 0.000 1.057 202 I CB 1.527 39.519 38.000 -0.013 0.000 1.240 202 I HN 0.630 nan 8.210 nan 0.000 0.423 203 Y N 6.607 126.868 120.300 -0.064 0.000 2.376 203 Y HA 0.572 5.121 4.550 -0.001 0.000 0.326 203 Y C -1.098 174.780 175.900 -0.037 0.000 0.970 203 Y CA -0.743 57.320 58.100 -0.063 0.000 1.248 203 Y CB 1.311 39.743 38.460 -0.046 0.000 1.117 203 Y HN 0.250 nan 8.280 nan 0.000 0.476 204 V N 6.396 126.027 119.914 -0.472 0.000 2.348 204 V HA 0.623 4.742 4.120 -0.001 0.000 0.270 204 V C 0.261 176.107 176.094 -0.413 0.000 1.037 204 V CA -0.560 61.566 62.300 -0.289 0.000 0.872 204 V CB 0.627 32.381 31.823 -0.115 0.000 1.002 204 V HN 0.907 nan 8.190 nan 0.000 0.464 205 A N 7.109 129.809 122.820 -0.201 0.000 2.328 205 A HA 0.839 5.158 4.320 -0.001 0.000 0.284 205 A C -0.422 177.141 177.584 -0.035 0.000 1.160 205 A CA -0.298 51.686 52.037 -0.087 0.000 0.818 205 A CB 0.165 19.225 19.000 0.101 0.000 1.087 205 A HN 0.806 nan 8.150 nan 0.000 0.504 206 I N 1.851 122.409 120.570 -0.021 0.000 2.478 206 I HA 0.527 4.697 4.170 -0.001 0.000 0.287 206 I C 1.081 177.222 176.117 0.039 0.000 1.042 206 I CA 0.017 61.325 61.300 0.012 0.000 1.067 206 I CB 1.841 39.840 38.000 -0.001 0.000 1.233 206 I HN 0.987 nan 8.210 nan 0.000 0.431 207 G N 3.908 112.741 108.800 0.055 0.000 2.212 207 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.266 207 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.266 207 G C 0.371 175.305 174.900 0.056 0.000 0.978 207 G CA 0.596 45.733 45.100 0.062 0.000 0.632 207 G HN 0.648 nan 8.290 nan 0.000 0.537 208 Q N 0.251 120.085 119.800 0.056 0.000 2.841 208 Q HA 0.516 4.855 4.340 -0.001 0.000 0.198 208 Q C 0.598 176.632 176.000 0.057 0.000 1.135 208 Q CA 0.319 56.158 55.803 0.061 0.000 1.167 208 Q CB 0.259 29.043 28.738 0.077 0.000 1.288 208 Q HN 0.363 nan 8.270 nan 0.000 0.670 209 K N 0.411 120.844 120.400 0.055 0.000 2.206 209 K HA 0.203 4.522 4.320 -0.001 0.000 0.264 209 K C 0.596 177.224 176.600 0.046 0.000 0.967 209 K CA -0.363 55.952 56.287 0.046 0.000 0.844 209 K CB 0.796 33.320 32.500 0.041 0.000 1.099 209 K HN 0.555 nan 8.250 nan 0.000 0.441 210 R N 0.583 121.108 120.500 0.041 0.000 2.119 210 R HA -0.176 4.163 4.340 -0.001 0.000 0.246 210 R C 1.873 178.192 176.300 0.031 0.000 1.146 210 R CA 2.448 58.570 56.100 0.037 0.000 0.962 210 R CB -0.131 30.187 30.300 0.031 0.000 0.863 210 R HN 0.740 nan 8.270 nan 0.000 0.442 211 S N -0.695 115.022 115.700 0.028 0.000 2.402 211 S HA -0.094 4.375 4.470 -0.001 0.000 0.229 211 S C 1.892 176.506 174.600 0.023 0.000 1.021 211 S CA 1.563 59.776 58.200 0.022 0.000 0.974 211 S CB -0.288 62.923 63.200 0.019 0.000 0.800 211 S HN 0.227 nan 8.310 nan 0.000 0.484 212 T N 2.396 116.969 114.554 0.031 0.000 2.777 212 T HA 0.011 4.361 4.350 -0.001 0.000 0.266 212 T C 1.944 176.663 174.700 0.032 0.000 1.040 212 T CA 1.302 63.423 62.100 0.035 0.000 1.141 212 T CB -0.490 68.408 68.868 0.049 0.000 0.868 212 T HN 0.274 nan 8.240 nan 0.000 0.444 213 V N 1.864 121.806 119.914 0.047 0.000 2.261 213 V HA -0.159 3.961 4.120 -0.001 0.000 0.246 213 V C 2.931 179.032 176.094 0.012 0.000 1.047 213 V CA 1.712 64.042 62.300 0.050 0.000 1.015 213 V CB -1.292 30.579 31.823 0.080 0.000 0.642 213 V HN 0.514 nan 8.190 nan 0.000 0.446 214 A N -0.635 122.193 122.820 0.013 0.000 1.948 214 A HA -0.289 4.030 4.320 -0.001 0.000 0.220 214 A C 2.180 179.755 177.584 -0.014 0.000 1.177 214 A CA 1.897 53.934 52.037 -0.001 0.000 0.636 214 A CB -0.468 18.535 19.000 0.004 0.000 0.815 214 A HN 0.579 nan 8.150 nan 0.000 0.449 215 Q N -0.705 119.089 119.800 -0.011 0.000 2.079 215 Q HA -0.093 4.247 4.340 -0.001 0.000 0.200 215 Q C 2.191 178.167 176.000 -0.039 0.000 0.974 215 Q CA 0.981 56.773 55.803 -0.018 0.000 0.840 215 Q CB -0.665 28.070 28.738 -0.004 0.000 0.898 215 Q HN 0.637 nan 8.270 nan 0.000 0.430 216 L N 1.037 122.230 121.223 -0.051 0.000 2.017 216 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 216 L C 2.351 179.144 176.870 -0.129 0.000 1.073 216 L CA 1.833 56.607 54.840 -0.110 0.000 0.745 216 L CB -0.796 41.164 42.059 -0.165 0.000 0.894 216 L HN 0.197 nan 8.230 nan 0.000 0.432 217 V N -1.287 118.569 119.914 -0.096 0.000 2.809 217 V HA -0.207 3.912 4.120 -0.001 0.000 0.256 217 V C 2.519 178.567 176.094 -0.077 0.000 1.080 217 V CA 1.738 63.984 62.300 -0.089 0.000 1.102 217 V CB -0.509 31.279 31.823 -0.058 0.000 0.705 217 V HN 0.473 nan 8.190 nan 0.000 0.475 218 K N 0.477 120.838 120.400 -0.065 0.000 1.973 218 K HA -0.209 4.111 4.320 -0.001 0.000 0.210 218 K C 2.508 179.061 176.600 -0.078 0.000 1.045 218 K CA 1.723 57.973 56.287 -0.061 0.000 0.937 218 K CB -0.357 32.112 32.500 -0.050 0.000 0.721 218 K HN 0.452 nan 8.250 nan 0.000 0.438 219 R N 0.752 121.200 120.500 -0.087 0.000 2.113 219 R HA -0.159 4.180 4.340 -0.001 0.000 0.244 219 R C 2.420 178.662 176.300 -0.097 0.000 1.142 219 R CA 1.772 57.809 56.100 -0.105 0.000 0.953 219 R CB -0.347 29.898 30.300 -0.093 0.000 0.860 219 R HN 0.262 nan 8.270 nan 0.000 0.438 220 L N -0.595 120.566 121.223 -0.103 0.000 2.017 220 L HA -0.203 4.136 4.340 -0.001 0.000 0.208 220 L C 2.387 179.189 176.870 -0.112 0.000 1.073 220 L CA 1.895 56.664 54.840 -0.119 0.000 0.745 220 L CB -0.716 41.249 42.059 -0.157 0.000 0.894 220 L HN 0.350 nan 8.230 nan 0.000 0.432 221 T N -1.067 113.430 114.554 -0.096 0.000 2.708 221 T HA -0.195 4.155 4.350 -0.001 0.000 0.266 221 T C 1.416 176.076 174.700 -0.066 0.000 1.037 221 T CA 1.555 63.608 62.100 -0.078 0.000 1.146 221 T CB -0.314 68.517 68.868 -0.062 0.000 0.865 221 T HN 0.265 nan 8.240 nan 0.000 0.435 222 D N 1.184 121.542 120.400 -0.070 0.000 2.311 222 D HA 0.022 4.662 4.640 -0.001 0.000 0.212 222 D C 1.783 178.046 176.300 -0.062 0.000 0.972 222 D CA 0.743 54.702 54.000 -0.068 0.000 0.887 222 D CB -0.203 40.544 40.800 -0.088 0.000 0.915 222 D HN 0.461 nan 8.370 nan 0.000 0.497 223 A N -0.152 122.632 122.820 -0.059 0.000 2.348 223 A HA 0.103 4.422 4.320 -0.001 0.000 0.224 223 A C 0.459 178.037 177.584 -0.011 0.000 1.227 223 A CA 0.205 52.222 52.037 -0.033 0.000 0.885 223 A CB 0.329 19.316 19.000 -0.022 0.000 0.933 223 A HN 0.001 nan 8.150 nan 0.000 0.506 224 D N -2.322 118.061 120.400 -0.029 0.000 2.716 224 D HA -0.187 4.452 4.640 -0.001 0.000 0.239 224 D C 0.662 176.960 176.300 -0.003 0.000 1.125 224 D CA 1.003 54.998 54.000 -0.008 0.000 0.681 224 D CB -1.279 39.535 40.800 0.023 0.000 1.070 224 D HN 0.528 nan 8.370 nan 0.000 0.432 225 A N -0.443 122.286 122.820 -0.152 0.000 2.259 225 A HA 0.166 4.485 4.320 -0.001 0.000 0.213 225 A C 2.110 179.264 177.584 -0.716 0.000 1.209 225 A CA 0.265 51.985 52.037 -0.528 0.000 0.910 225 A CB 0.059 18.862 19.000 -0.329 0.000 0.946 225 A HN 0.274 nan 8.150 nan 0.000 0.497 226 M N 1.364 120.765 119.600 -0.332 0.000 2.149 226 M HA -0.191 4.288 4.480 -0.001 0.000 0.261 226 M C 2.047 178.225 176.300 -0.203 0.000 1.064 226 M CA 2.040 57.195 55.300 -0.241 0.000 1.102 226 M CB -0.990 31.535 32.600 -0.126 0.000 1.369 226 M HN 0.685 nan 8.290 nan 0.000 0.408 227 K N 0.706 121.022 120.400 -0.139 0.000 2.089 227 K HA -0.215 4.105 4.320 -0.001 0.000 0.210 227 K C 1.191 177.852 176.600 0.101 0.000 1.048 227 K CA 2.211 58.509 56.287 0.019 0.000 0.926 227 K CB -1.056 31.510 32.500 0.110 0.000 0.714 227 K HN 0.538 nan 8.250 nan 0.000 0.448 228 Y N 0.270 120.619 120.300 0.082 0.000 2.607 228 Y HA 0.455 5.005 4.550 -0.001 0.000 0.266 228 Y C -0.424 175.536 175.900 0.101 0.000 1.178 228 Y CA -0.970 57.213 58.100 0.139 0.000 1.226 228 Y CB -0.046 38.471 38.460 0.096 0.000 1.144 228 Y HN -0.197 nan 8.280 nan 0.000 0.528 229 T N 2.164 116.655 114.554 -0.105 0.000 2.887 229 T HA 0.641 4.990 4.350 -0.001 0.000 0.288 229 T C -0.504 174.194 174.700 -0.002 0.000 1.021 229 T CA -0.527 61.537 62.100 -0.061 0.000 1.000 229 T CB 2.095 70.867 68.868 -0.161 0.000 1.034 229 T HN 0.125 nan 8.240 nan 0.000 0.467 230 I N 1.533 122.123 120.570 0.034 0.000 2.530 230 I HA 0.599 4.768 4.170 -0.001 0.000 0.297 230 I C -0.793 175.359 176.117 0.058 0.000 1.011 230 I CA -1.183 60.146 61.300 0.048 0.000 1.107 230 I CB 2.041 40.085 38.000 0.073 0.000 1.285 230 I HN 0.222 nan 8.210 nan 0.000 0.436 231 V N 6.260 126.209 119.914 0.058 0.000 2.409 231 V HA 0.292 4.411 4.120 -0.001 0.000 0.290 231 V C -0.181 175.958 176.094 0.075 0.000 1.017 231 V CA -0.673 61.689 62.300 0.102 0.000 0.841 231 V CB 1.875 33.758 31.823 0.100 0.000 1.003 231 V HN 0.404 nan 8.190 nan 0.000 0.426 232 V N 3.924 123.873 119.914 0.059 0.000 2.406 232 V HA 0.425 4.545 4.120 -0.001 0.000 0.272 232 V C 0.455 176.568 176.094 0.033 0.000 1.043 232 V CA 0.037 62.355 62.300 0.030 0.000 0.915 232 V CB 1.561 33.390 31.823 0.010 0.000 0.988 232 V HN 0.815 nan 8.190 nan 0.000 0.466 233 S N 3.667 119.389 115.700 0.037 0.000 2.449 233 S HA 0.772 5.241 4.470 -0.001 0.000 0.310 233 S C -0.033 174.587 174.600 0.034 0.000 1.096 233 S CA -0.210 58.017 58.200 0.045 0.000 1.095 233 S CB 1.207 64.440 63.200 0.055 0.000 1.007 233 S HN 1.024 nan 8.310 nan 0.000 0.474 234 A N 3.978 126.819 122.820 0.034 0.000 3.082 234 A HA 0.538 4.857 4.320 -0.001 0.000 0.328 234 A C 0.283 177.898 177.584 0.052 0.000 1.089 234 A CA -0.718 51.345 52.037 0.043 0.000 0.802 234 A CB -0.103 18.923 19.000 0.042 0.000 1.138 234 A HN 0.753 nan 8.150 nan 0.000 0.474 235 T N -1.452 113.134 114.554 0.053 0.000 2.816 235 T HA 0.547 4.897 4.350 -0.001 0.000 0.282 235 T C 1.699 176.433 174.700 0.056 0.000 0.993 235 T CA 0.014 62.147 62.100 0.054 0.000 0.994 235 T CB 1.156 70.055 68.868 0.051 0.000 1.025 235 T HN 1.229 nan 8.240 nan 0.000 0.529 236 A N 1.326 124.177 122.820 0.053 0.000 1.969 236 A HA -0.213 4.106 4.320 -0.001 0.000 0.223 236 A C 2.423 180.036 177.584 0.048 0.000 1.218 236 A CA 2.814 54.882 52.037 0.051 0.000 0.667 236 A CB -1.622 17.405 19.000 0.045 0.000 0.826 236 A HN 1.195 nan 8.150 nan 0.000 0.472 237 S N -1.010 114.717 115.700 0.045 0.000 2.548 237 S HA 0.091 4.560 4.470 -0.001 0.000 0.215 237 S C 0.191 174.821 174.600 0.049 0.000 0.976 237 S CA -0.113 58.112 58.200 0.041 0.000 0.908 237 S CB -0.163 63.057 63.200 0.034 0.000 0.781 237 S HN 0.495 nan 8.310 nan 0.000 0.519 238 D N 2.889 123.324 120.400 0.059 0.000 2.399 238 D HA 0.423 5.062 4.640 -0.001 0.000 0.241 238 D C 0.520 176.871 176.300 0.085 0.000 1.133 238 D CA 0.332 54.375 54.000 0.072 0.000 0.890 238 D CB 0.991 41.838 40.800 0.077 0.000 1.201 238 D HN 0.424 nan 8.370 nan 0.000 0.432 239 A N 1.560 124.439 122.820 0.097 0.000 2.555 239 A HA 0.243 4.563 4.320 -0.001 0.000 0.233 239 A C 1.462 179.124 177.584 0.131 0.000 1.060 239 A CA 0.514 52.611 52.037 0.100 0.000 0.759 239 A CB 0.192 19.261 19.000 0.116 0.000 0.995 239 A HN 0.653 nan 8.150 nan 0.000 0.506 240 A N 2.916 125.801 122.820 0.109 0.000 1.903 240 A HA -0.105 4.214 4.320 -0.001 0.000 0.219 240 A C -0.071 177.648 177.584 0.225 0.000 1.191 240 A CA 2.195 54.314 52.037 0.138 0.000 0.638 240 A CB -1.765 17.287 19.000 0.087 0.000 0.823 240 A HN 0.663 nan 8.150 nan 0.000 0.451 241 P HA -0.091 nan 4.420 nan 0.000 0.220 241 P C 1.389 179.021 177.300 0.552 0.000 1.148 241 P CA 0.802 64.145 63.100 0.405 0.000 0.803 241 P CB -0.157 31.667 31.700 0.206 0.000 0.782 242 L N -0.791 120.671 121.223 0.397 0.000 2.044 242 L HA -0.158 4.182 4.340 -0.001 0.000 0.205 242 L C 2.755 179.741 176.870 0.193 0.000 1.075 242 L CA 1.494 56.491 54.840 0.262 0.000 0.747 242 L CB -1.165 41.000 42.059 0.177 0.000 0.903 242 L HN -0.057 nan 8.230 nan 0.000 0.435 243 Q N -0.879 119.037 119.800 0.193 0.000 2.135 243 Q HA -0.281 4.058 4.340 -0.001 0.000 0.204 243 Q C 2.123 178.233 176.000 0.183 0.000 0.981 243 Q CA 2.177 58.073 55.803 0.156 0.000 0.856 243 Q CB -0.394 28.438 28.738 0.155 0.000 0.902 243 Q HN 0.507 nan 8.270 nan 0.000 0.425 244 Y N 1.042 121.442 120.300 0.166 0.000 2.114 244 Y HA -0.250 4.300 4.550 -0.001 0.000 0.284 244 Y C 1.995 178.038 175.900 0.238 0.000 1.143 244 Y CA 1.365 59.586 58.100 0.203 0.000 1.135 244 Y CB -0.457 38.147 38.460 0.240 0.000 0.980 244 Y HN 0.061 nan 8.280 nan 0.000 0.499 245 L N 0.850 122.016 121.223 -0.095 0.000 2.056 245 L HA -0.052 4.287 4.340 -0.001 0.000 0.207 245 L C 2.651 179.496 176.870 -0.042 0.000 1.078 245 L CA 1.945 56.722 54.840 -0.105 0.000 0.749 245 L CB -1.383 40.679 42.059 0.006 0.000 0.901 245 L HN 0.375 nan 8.230 nan 0.000 0.433 246 A N 0.290 123.089 122.820 -0.035 0.000 1.935 246 A HA -0.303 4.016 4.320 -0.001 0.000 0.224 246 A C 0.007 177.534 177.584 -0.094 0.000 1.324 246 A CA 2.824 54.833 52.037 -0.046 0.000 0.686 246 A CB -2.460 16.530 19.000 -0.018 0.000 0.837 246 A HN 0.455 nan 8.150 nan 0.000 0.481 247 P HA -0.157 nan 4.420 nan 0.000 0.214 247 P C 1.107 178.179 177.300 -0.380 0.000 1.163 247 P CA 1.614 64.493 63.100 -0.370 0.000 0.883 247 P CB -0.338 30.917 31.700 -0.743 0.000 0.788 248 Y N -0.086 120.090 120.300 -0.207 0.000 2.165 248 Y HA -0.146 4.403 4.550 -0.001 0.000 0.286 248 Y C 2.743 178.596 175.900 -0.078 0.000 1.155 248 Y CA 1.460 59.465 58.100 -0.158 0.000 1.164 248 Y CB -1.568 36.761 38.460 -0.218 0.000 0.978 248 Y HN -0.081 nan 8.280 nan 0.000 0.513 249 S N -0.037 115.692 115.700 0.049 0.000 2.351 249 S HA -0.218 4.252 4.470 -0.001 0.000 0.220 249 S C 2.483 177.105 174.600 0.037 0.000 1.035 249 S CA 1.487 59.700 58.200 0.021 0.000 1.031 249 S CB -1.168 62.022 63.200 -0.018 0.000 0.928 249 S HN 0.666 nan 8.310 nan 0.000 0.433 250 G N -0.084 108.738 108.800 0.036 0.000 2.442 250 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.219 250 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.219 250 G C 1.731 176.688 174.900 0.096 0.000 1.141 250 G CA 1.153 46.289 45.100 0.059 0.000 0.763 250 G HN 0.591 nan 8.290 nan 0.000 0.554 251 C N 0.391 119.764 119.300 0.121 0.000 2.413 251 C HA -0.033 4.426 4.460 -0.001 0.000 0.276 251 C C 3.281 178.344 174.990 0.123 0.000 1.236 251 C CA 1.726 60.828 59.018 0.140 0.000 1.735 251 C CB -0.973 26.828 27.740 0.102 0.000 2.031 251 C HN 0.376 nan 8.230 nan 0.000 0.474 252 S N 0.375 116.137 115.700 0.103 0.000 2.383 252 S HA -0.171 4.299 4.470 -0.001 0.000 0.229 252 S C 1.691 176.364 174.600 0.122 0.000 1.030 252 S CA 2.007 60.266 58.200 0.098 0.000 1.002 252 S CB -0.348 62.893 63.200 0.069 0.000 0.829 252 S HN 0.665 nan 8.310 nan 0.000 0.467 253 M N 0.432 120.106 119.600 0.124 0.000 2.394 253 M HA 0.019 4.498 4.480 -0.001 0.000 0.264 253 M C 2.287 178.782 176.300 0.324 0.000 1.073 253 M CA 1.142 56.538 55.300 0.159 0.000 1.111 253 M CB -0.464 32.212 32.600 0.126 0.000 1.401 253 M HN 0.407 nan 8.290 nan 0.000 0.448 254 G N 0.329 109.296 108.800 0.278 0.000 2.494 254 G HA2 -0.090 3.869 3.960 -0.001 0.000 0.216 254 G HA3 -0.090 3.869 3.960 -0.001 0.000 0.216 254 G C 1.260 176.369 174.900 0.347 0.000 1.140 254 G CA 0.114 45.424 45.100 0.350 0.000 0.801 254 G HN 0.488 nan 8.290 nan 0.000 0.536 255 E N -0.414 119.924 120.200 0.230 0.000 2.208 255 E HA -0.098 4.251 4.350 -0.001 0.000 0.193 255 E C 1.851 178.532 176.600 0.134 0.000 0.988 255 E CA 0.427 56.923 56.400 0.161 0.000 0.828 255 E CB -0.234 29.530 29.700 0.107 0.000 0.763 255 E HN 0.580 nan 8.360 nan 0.000 0.478 256 Y N 1.028 121.340 120.300 0.020 0.000 2.081 256 Y HA -0.316 4.233 4.550 -0.001 0.000 0.280 256 Y C 1.725 177.520 175.900 -0.175 0.000 1.163 256 Y CA 1.771 59.781 58.100 -0.149 0.000 1.135 256 Y CB -0.399 37.872 38.460 -0.316 0.000 0.970 256 Y HN -0.077 nan 8.280 nan 0.000 0.498 257 F N 0.271 120.245 119.950 0.039 0.000 2.146 257 F HA -0.118 4.409 4.527 -0.001 0.000 0.298 257 F C 2.798 178.575 175.800 -0.038 0.000 1.096 257 F CA 1.795 59.777 58.000 -0.030 0.000 1.275 257 F CB -0.677 38.411 39.000 0.147 0.000 1.008 257 F HN -0.031 nan 8.300 nan 0.000 0.480 258 R N 0.642 121.269 120.500 0.211 0.000 2.081 258 R HA -0.156 4.184 4.340 -0.001 0.000 0.235 258 R C 1.219 177.556 176.300 0.061 0.000 1.131 258 R CA 1.902 58.088 56.100 0.144 0.000 0.960 258 R CB -0.425 29.954 30.300 0.133 0.000 0.856 258 R HN 0.155 nan 8.270 nan 0.000 0.436 259 D N 0.095 120.494 120.400 -0.003 0.000 2.363 259 D HA -0.028 4.611 4.640 -0.001 0.000 0.220 259 D C -0.001 176.251 176.300 -0.080 0.000 0.994 259 D CA 0.757 54.745 54.000 -0.020 0.000 0.890 259 D CB -0.032 40.749 40.800 -0.031 0.000 0.906 259 D HN 0.395 nan 8.370 nan 0.000 0.530 260 N N -0.507 118.097 118.700 -0.161 0.000 2.535 260 N HA 0.247 4.986 4.740 -0.001 0.000 0.294 260 N C 0.726 176.171 175.510 -0.110 0.000 1.408 260 N CA -0.156 52.777 53.050 -0.195 0.000 0.927 260 N CB 1.274 39.510 38.487 -0.418 0.000 1.276 260 N HN -0.061 nan 8.380 nan 0.000 0.505 261 G N 0.893 109.664 108.800 -0.048 0.000 2.244 261 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.274 261 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.274 261 G C 0.237 175.060 174.900 -0.129 0.000 1.002 261 G CA 0.959 46.027 45.100 -0.054 0.000 0.740 261 G HN 0.335 nan 8.290 nan 0.000 0.516 262 K N -0.968 119.395 120.400 -0.062 0.000 2.210 262 K HA 0.701 5.020 4.320 -0.001 0.000 0.236 262 K C -0.011 176.603 176.600 0.023 0.000 1.016 262 K CA -0.783 55.498 56.287 -0.011 0.000 0.913 262 K CB 0.902 33.573 32.500 0.286 0.000 1.141 262 K HN 0.456 nan 8.250 nan 0.000 0.462 263 H N -0.681 118.532 119.070 0.239 0.000 2.529 263 H HA 0.594 5.150 4.556 -0.001 0.000 0.348 263 H C -1.148 174.242 175.328 0.102 0.000 1.079 263 H CA -1.104 55.011 56.048 0.113 0.000 1.198 263 H CB 1.964 31.720 29.762 -0.010 0.000 1.521 263 H HN 0.584 nan 8.280 nan 0.000 0.514 264 A N 2.781 125.709 122.820 0.180 0.000 2.413 264 A HA 0.616 4.935 4.320 -0.001 0.000 0.307 264 A C -1.707 175.874 177.584 -0.006 0.000 1.087 264 A CA -0.652 51.400 52.037 0.025 0.000 0.750 264 A CB 1.504 20.529 19.000 0.043 0.000 1.296 264 A HN 0.500 nan 8.150 nan 0.000 0.423 265 L N 1.958 123.155 121.223 -0.045 0.000 2.376 265 L HA 0.764 5.103 4.340 -0.001 0.000 0.275 265 L C -1.187 175.626 176.870 -0.097 0.000 0.987 265 L CA -0.340 54.464 54.840 -0.060 0.000 0.828 265 L CB 1.215 43.250 42.059 -0.039 0.000 1.249 265 L HN 0.701 nan 8.230 nan 0.000 0.409 266 I N 5.108 125.570 120.570 -0.180 0.000 2.433 266 I HA 0.560 4.730 4.170 -0.001 0.000 0.292 266 I C -1.273 174.553 176.117 -0.486 0.000 1.001 266 I CA -0.693 60.410 61.300 -0.328 0.000 1.119 266 I CB 1.476 39.228 38.000 -0.413 0.000 1.289 266 I HN 0.596 nan 8.210 nan 0.000 0.438 267 I N 8.295 128.614 120.570 -0.417 0.000 2.339 267 I HA 0.236 4.406 4.170 -0.001 0.000 0.290 267 I C -1.028 174.783 176.117 -0.510 0.000 0.994 267 I CA -0.225 60.856 61.300 -0.366 0.000 1.191 267 I CB 0.923 38.859 38.000 -0.106 0.000 1.343 267 I HN 0.314 nan 8.210 nan 0.000 0.458 268 Y N 4.022 124.196 120.300 -0.211 0.000 2.700 268 Y HA 0.378 4.928 4.550 -0.001 0.000 0.333 268 Y C 0.091 175.845 175.900 -0.243 0.000 1.036 268 Y CA -0.928 57.020 58.100 -0.253 0.000 1.287 268 Y CB 0.243 38.557 38.460 -0.242 0.000 1.132 268 Y HN 0.406 nan 8.280 nan 0.000 0.510 269 D N 3.308 123.588 120.400 -0.199 0.000 2.473 269 D HA 0.219 4.858 4.640 -0.001 0.000 0.226 269 D C -1.094 175.156 176.300 -0.082 0.000 1.089 269 D CA -0.413 53.500 54.000 -0.144 0.000 0.883 269 D CB 0.381 41.033 40.800 -0.248 0.000 1.029 269 D HN 0.572 nan 8.370 nan 0.000 0.517 270 D N 0.983 121.365 120.400 -0.031 0.000 2.493 270 D HA 0.263 4.902 4.640 -0.001 0.000 0.239 270 D C 0.940 177.215 176.300 -0.042 0.000 1.049 270 D CA -0.747 53.237 54.000 -0.027 0.000 1.008 270 D CB 1.150 41.949 40.800 -0.001 0.000 1.398 270 D HN 0.116 nan 8.370 nan 0.000 0.513 271 L N 0.222 121.389 121.223 -0.093 0.000 2.591 271 L HA 0.065 4.404 4.340 -0.001 0.000 0.228 271 L C 1.467 178.336 176.870 -0.001 0.000 1.133 271 L CA 0.246 54.979 54.840 -0.178 0.000 0.880 271 L CB -0.152 41.585 42.059 -0.536 0.000 1.033 271 L HN 0.384 nan 8.230 nan 0.000 0.450 272 S N 0.077 115.799 115.700 0.036 0.000 2.356 272 S HA -0.068 4.401 4.470 -0.001 0.000 0.219 272 S C 1.871 176.558 174.600 0.146 0.000 1.036 272 S CA 0.915 59.175 58.200 0.101 0.000 0.965 272 S CB 0.152 63.398 63.200 0.077 0.000 0.864 272 S HN 0.358 nan 8.310 nan 0.000 0.471 273 K N 1.237 121.702 120.400 0.108 0.000 2.211 273 K HA -0.073 4.246 4.320 -0.001 0.000 0.203 273 K C 2.321 179.012 176.600 0.151 0.000 1.050 273 K CA 0.771 57.130 56.287 0.120 0.000 0.945 273 K CB -0.106 32.445 32.500 0.084 0.000 0.732 273 K HN 0.350 nan 8.250 nan 0.000 0.451 274 Q N 0.917 120.805 119.800 0.146 0.000 2.079 274 Q HA -0.133 4.206 4.340 -0.001 0.000 0.200 274 Q C 2.129 178.305 176.000 0.293 0.000 0.974 274 Q CA 1.391 57.309 55.803 0.192 0.000 0.840 274 Q CB -0.084 28.732 28.738 0.130 0.000 0.898 274 Q HN 0.316 nan 8.270 nan 0.000 0.430 275 A N 0.256 123.260 122.820 0.307 0.000 1.908 275 A HA -0.166 4.153 4.320 -0.001 0.000 0.218 275 A C 2.250 180.109 177.584 0.458 0.000 1.181 275 A CA 1.689 53.937 52.037 0.352 0.000 0.627 275 A CB -0.867 18.245 19.000 0.187 0.000 0.818 275 A HN 0.307 nan 8.150 nan 0.000 0.445 276 V N -0.245 119.889 119.914 0.366 0.000 2.287 276 V HA -0.280 3.840 4.120 -0.001 0.000 0.248 276 V C 3.081 179.285 176.094 0.184 0.000 1.053 276 V CA 2.062 64.508 62.300 0.244 0.000 1.027 276 V CB -1.265 30.659 31.823 0.169 0.000 0.646 276 V HN 0.650 nan 8.190 nan 0.000 0.447 277 A N -0.823 122.125 122.820 0.214 0.000 1.883 277 A HA -0.306 4.013 4.320 -0.001 0.000 0.217 277 A C 2.190 179.916 177.584 0.236 0.000 1.186 277 A CA 2.354 54.516 52.037 0.208 0.000 0.624 277 A CB -0.876 18.277 19.000 0.256 0.000 0.822 277 A HN 0.640 nan 8.150 nan 0.000 0.444 278 Y N 0.606 121.017 120.300 0.184 0.000 2.097 278 Y HA -0.250 4.300 4.550 -0.001 0.000 0.282 278 Y C 2.499 178.431 175.900 0.053 0.000 1.152 278 Y CA 2.166 60.330 58.100 0.108 0.000 1.136 278 Y CB -0.678 37.899 38.460 0.195 0.000 0.975 278 Y HN 0.365 nan 8.280 nan 0.000 0.498 279 R N 0.319 120.815 120.500 -0.007 0.000 2.096 279 R HA -0.302 4.037 4.340 -0.001 0.000 0.240 279 R C 2.511 178.710 176.300 -0.168 0.000 1.139 279 R CA 2.257 58.268 56.100 -0.148 0.000 0.952 279 R CB -0.529 29.696 30.300 -0.125 0.000 0.854 279 R HN 0.653 nan 8.270 nan 0.000 0.436 280 Q N 0.299 120.050 119.800 -0.081 0.000 1.993 280 Q HA -0.259 4.080 4.340 -0.001 0.000 0.202 280 Q C 2.252 178.194 176.000 -0.095 0.000 0.984 280 Q CA 2.151 57.912 55.803 -0.070 0.000 0.837 280 Q CB -0.255 28.472 28.738 -0.017 0.000 0.902 280 Q HN 0.502 nan 8.270 nan 0.000 0.423 281 M N -0.041 119.507 119.600 -0.086 0.000 2.082 281 M HA -0.221 4.258 4.480 -0.001 0.000 0.258 281 M C 2.287 178.486 176.300 -0.168 0.000 1.069 281 M CA 2.194 57.425 55.300 -0.115 0.000 1.102 281 M CB -0.255 32.270 32.600 -0.125 0.000 1.336 281 M HN 0.284 nan 8.290 nan 0.000 0.404 282 S N 0.402 115.938 115.700 -0.274 0.000 2.368 282 S HA -0.091 4.378 4.470 -0.001 0.000 0.225 282 S C 1.740 176.225 174.600 -0.193 0.000 1.030 282 S CA 1.319 59.336 58.200 -0.304 0.000 0.999 282 S CB -0.361 62.463 63.200 -0.627 0.000 0.844 282 S HN 0.561 nan 8.310 nan 0.000 0.459 283 L N 0.837 121.958 121.223 -0.169 0.000 2.056 283 L HA -0.009 4.331 4.340 -0.001 0.000 0.207 283 L C 2.071 178.888 176.870 -0.089 0.000 1.078 283 L CA 0.863 55.633 54.840 -0.117 0.000 0.749 283 L CB -0.453 41.541 42.059 -0.109 0.000 0.901 283 L HN 0.304 nan 8.230 nan 0.000 0.433 284 L N -0.520 120.650 121.223 -0.088 0.000 2.450 284 L HA -0.178 4.161 4.340 -0.001 0.000 0.224 284 L C 1.959 178.790 176.870 -0.064 0.000 1.149 284 L CA 0.736 55.536 54.840 -0.068 0.000 0.816 284 L CB -0.258 41.763 42.059 -0.064 0.000 0.932 284 L HN 0.300 nan 8.230 nan 0.000 0.449 285 L N -0.303 120.876 121.223 -0.075 0.000 2.592 285 L HA 0.139 4.479 4.340 -0.001 0.000 0.227 285 L C 0.525 177.366 176.870 -0.048 0.000 1.127 285 L CA -0.124 54.681 54.840 -0.059 0.000 0.884 285 L CB 0.107 42.127 42.059 -0.065 0.000 1.065 285 L HN 0.255 nan 8.230 nan 0.000 0.457 286 R N -0.550 119.919 120.500 -0.052 0.000 3.774 286 R HA -0.162 4.178 4.340 -0.001 0.000 0.320 286 R C -0.117 176.158 176.300 -0.041 0.000 1.175 286 R CA 0.446 56.521 56.100 -0.042 0.000 0.849 286 R CB -2.411 27.871 30.300 -0.030 0.000 1.365 286 R HN 0.338 nan 8.270 nan 0.000 0.502 287 R N 1.819 122.287 120.500 -0.054 0.000 2.267 287 R HA 0.246 4.585 4.340 -0.001 0.000 0.319 287 R C -1.940 174.334 176.300 -0.044 0.000 1.067 287 R CA -1.675 54.399 56.100 -0.044 0.000 0.936 287 R CB 0.636 30.902 30.300 -0.056 0.000 1.006 287 R HN -0.139 nan 8.270 nan 0.000 0.452 288 P HA -0.039 nan 4.420 nan 0.000 0.261 288 P C -2.282 175.003 177.300 -0.025 0.000 1.173 288 P CA -0.669 62.417 63.100 -0.024 0.000 0.760 288 P CB -0.020 31.672 31.700 -0.012 0.000 0.783 289 P HA 0.198 nan 4.420 nan 0.000 0.272 289 P C 0.264 177.562 177.300 -0.002 0.000 1.230 289 P CA 0.134 63.216 63.100 -0.031 0.000 0.788 289 P CB 0.872 32.544 31.700 -0.048 0.000 0.949 290 G N 0.506 109.322 108.800 0.028 0.000 3.257 290 G HA2 0.415 4.374 3.960 -0.001 0.000 0.205 290 G HA3 0.415 4.374 3.960 -0.001 0.000 0.205 290 G C -0.674 174.251 174.900 0.041 0.000 1.234 290 G CA -0.949 44.177 45.100 0.042 0.000 0.918 290 G HN 0.556 nan 8.290 nan 0.000 0.602 291 R N 0.391 120.903 120.500 0.020 0.000 2.566 291 R HA 0.047 4.386 4.340 -0.001 0.000 0.273 291 R C 0.400 176.741 176.300 0.069 0.000 0.981 291 R CA 1.318 57.375 56.100 -0.071 0.000 1.091 291 R CB -0.234 29.857 30.300 -0.348 0.000 0.924 291 R HN 0.722 nan 8.270 nan 0.000 0.411 292 E N 2.380 122.601 120.200 0.035 0.000 2.971 292 E HA -0.380 3.969 4.350 -0.001 0.000 0.271 292 E C 0.413 177.026 176.600 0.022 0.000 1.053 292 E CA 0.637 57.108 56.400 0.118 0.000 0.817 292 E CB -1.017 28.882 29.700 0.332 0.000 1.410 292 E HN 0.880 nan 8.360 nan 0.000 0.445 293 A N -2.820 119.990 122.820 -0.017 0.000 3.663 293 A HA -0.287 4.032 4.320 -0.001 0.000 0.254 293 A C 0.167 177.661 177.584 -0.149 0.000 1.037 293 A CA 1.477 53.443 52.037 -0.119 0.000 1.450 293 A CB -1.683 17.198 19.000 -0.198 0.000 1.014 293 A HN 0.353 nan 8.150 nan 0.000 0.865 294 Y N 0.365 120.698 120.300 0.056 0.000 2.314 294 Y HA 0.471 5.021 4.550 -0.001 0.000 0.334 294 Y C -1.667 174.252 175.900 0.032 0.000 1.266 294 Y CA -1.463 56.669 58.100 0.053 0.000 1.391 294 Y CB -0.038 38.511 38.460 0.148 0.000 1.306 294 Y HN 0.126 nan 8.280 nan 0.000 0.558 295 P HA -0.034 nan 4.420 nan 0.000 0.268 295 P C 0.626 178.046 177.300 0.199 0.000 1.208 295 P CA 0.554 63.701 63.100 0.078 0.000 0.777 295 P CB 0.598 32.264 31.700 -0.056 0.000 0.875 296 G N 1.595 110.490 108.800 0.158 0.000 2.559 296 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.216 296 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.216 296 G C 0.421 175.459 174.900 0.230 0.000 1.126 296 G CA 0.387 45.593 45.100 0.175 0.000 0.778 296 G HN 0.617 nan 8.290 nan 0.000 0.543 297 D N 0.577 121.145 120.400 0.280 0.000 2.643 297 D HA 0.070 4.710 4.640 -0.001 0.000 0.244 297 D C 1.805 178.295 176.300 0.316 0.000 1.257 297 D CA -0.196 53.999 54.000 0.326 0.000 0.831 297 D CB -0.086 40.928 40.800 0.356 0.000 1.043 297 D HN 0.185 nan 8.370 nan 0.000 0.488 298 V N -1.534 118.543 119.914 0.271 0.000 2.515 298 V HA -0.139 3.980 4.120 -0.001 0.000 0.250 298 V C 2.228 178.293 176.094 -0.049 0.000 1.058 298 V CA 0.896 63.245 62.300 0.081 0.000 1.064 298 V CB -1.344 30.434 31.823 -0.075 0.000 0.675 298 V HN 0.195 nan 8.190 nan 0.000 0.461 299 F N 1.225 121.147 119.950 -0.046 0.000 2.046 299 F HA -0.234 4.293 4.527 -0.001 0.000 0.297 299 F C 2.410 178.237 175.800 0.045 0.000 1.123 299 F CA 1.993 59.972 58.000 -0.034 0.000 1.199 299 F CB -0.853 38.165 39.000 0.030 0.000 0.972 299 F HN 0.184 nan 8.300 nan 0.000 0.474 300 Y N 1.038 121.309 120.300 -0.049 0.000 2.139 300 Y HA -0.280 4.269 4.550 -0.001 0.000 0.282 300 Y C 2.339 178.102 175.900 -0.227 0.000 1.179 300 Y CA 1.881 59.865 58.100 -0.194 0.000 1.161 300 Y CB -1.224 37.239 38.460 0.005 0.000 0.970 300 Y HN 0.306 nan 8.280 nan 0.000 0.511 301 L N -0.283 120.759 121.223 -0.302 0.000 2.021 301 L HA -0.300 4.040 4.340 -0.001 0.000 0.215 301 L C 2.202 178.890 176.870 -0.303 0.000 1.074 301 L CA 2.579 57.159 54.840 -0.432 0.000 0.760 301 L CB -0.827 40.911 42.059 -0.535 0.000 0.889 301 L HN 0.394 nan 8.230 nan 0.000 0.433 302 H N -1.594 117.302 119.070 -0.291 0.000 2.465 302 H HA -0.008 4.547 4.556 -0.001 0.000 0.289 302 H C 2.393 177.507 175.328 -0.356 0.000 1.022 302 H CA 0.682 56.536 56.048 -0.322 0.000 1.340 302 H CB 0.073 29.679 29.762 -0.261 0.000 1.437 302 H HN 0.576 nan 8.280 nan 0.000 0.539 303 S N 1.298 116.781 115.700 -0.361 0.000 2.348 303 S HA -0.245 4.225 4.470 -0.001 0.000 0.221 303 S C 2.065 176.553 174.600 -0.186 0.000 1.033 303 S CA 1.070 59.048 58.200 -0.371 0.000 1.010 303 S CB -0.340 62.454 63.200 -0.677 0.000 0.891 303 S HN 0.295 nan 8.310 nan 0.000 0.442 304 R N 0.556 120.948 120.500 -0.180 0.000 2.134 304 R HA -0.160 4.180 4.340 -0.001 0.000 0.248 304 R C 2.427 178.684 176.300 -0.073 0.000 1.143 304 R CA 1.899 57.923 56.100 -0.127 0.000 0.957 304 R CB -0.629 29.444 30.300 -0.379 0.000 0.867 304 R HN 0.546 nan 8.270 nan 0.000 0.441 305 L N 0.402 121.555 121.223 -0.116 0.000 1.993 305 L HA -0.085 4.254 4.340 -0.001 0.000 0.206 305 L C 1.936 178.710 176.870 -0.160 0.000 1.074 305 L CA 1.624 56.347 54.840 -0.194 0.000 0.746 305 L CB -0.331 41.423 42.059 -0.507 0.000 0.896 305 L HN 0.183 nan 8.230 nan 0.000 0.435 306 L N -0.335 120.789 121.223 -0.166 0.000 2.362 306 L HA -0.112 4.228 4.340 -0.001 0.000 0.219 306 L C 2.423 179.277 176.870 -0.026 0.000 1.134 306 L CA 0.564 55.364 54.840 -0.067 0.000 0.807 306 L CB -0.701 41.312 42.059 -0.078 0.000 0.927 306 L HN 0.375 nan 8.230 nan 0.000 0.447 307 E N 0.491 120.670 120.200 -0.035 0.000 2.268 307 E HA -0.152 4.197 4.350 -0.001 0.000 0.195 307 E C 2.212 178.813 176.600 0.001 0.000 0.995 307 E CA 0.673 57.066 56.400 -0.011 0.000 0.836 307 E CB 0.076 29.773 29.700 -0.005 0.000 0.763 307 E HN 0.491 nan 8.360 nan 0.000 0.491 308 R N 0.658 121.162 120.500 0.008 0.000 2.148 308 R HA 0.003 4.342 4.340 -0.001 0.000 0.227 308 R C 1.042 177.363 176.300 0.035 0.000 1.103 308 R CA 0.637 56.752 56.100 0.025 0.000 0.983 308 R CB -0.131 30.192 30.300 0.038 0.000 0.874 308 R HN -0.060 nan 8.270 nan 0.000 0.451 309 A N 1.066 123.911 122.820 0.042 0.000 2.492 309 A HA 0.524 4.844 4.320 -0.001 0.000 0.254 309 A C -0.133 177.460 177.584 0.016 0.000 1.091 309 A CA 0.359 52.419 52.037 0.037 0.000 0.768 309 A CB 0.210 19.233 19.000 0.040 0.000 1.028 309 A HN 0.351 nan 8.150 nan 0.000 0.498 310 A N 2.301 125.128 122.820 0.012 0.000 2.586 310 A HA 0.692 5.012 4.320 -0.001 0.000 0.291 310 A C -0.874 176.710 177.584 0.000 0.000 1.062 310 A CA -0.741 51.295 52.037 -0.003 0.000 0.666 310 A CB 0.957 19.949 19.000 -0.013 0.000 1.281 310 A HN 0.907 nan 8.150 nan 0.000 0.421 311 K N 1.664 122.058 120.400 -0.011 0.000 2.316 311 K HA 0.598 4.917 4.320 -0.001 0.000 0.267 311 K C -0.566 176.034 176.600 0.000 0.000 1.025 311 K CA -0.307 55.979 56.287 -0.001 0.000 0.896 311 K CB 0.392 32.883 32.500 -0.014 0.000 1.124 311 K HN 0.620 nan 8.250 nan 0.000 0.451 312 M N 2.993 122.608 119.600 0.026 0.000 2.274 312 M HA 0.212 4.691 4.480 -0.001 0.000 0.344 312 M C 0.322 176.671 176.300 0.082 0.000 1.161 312 M CA -0.736 54.575 55.300 0.019 0.000 1.126 312 M CB 0.446 33.083 32.600 0.061 0.000 1.522 312 M HN 0.717 nan 8.290 nan 0.000 0.461 313 N N 1.054 119.825 118.700 0.118 0.000 2.381 313 N HA 0.058 4.797 4.740 -0.001 0.000 0.254 313 N C 0.128 175.750 175.510 0.186 0.000 1.264 313 N CA -0.239 52.902 53.050 0.152 0.000 0.942 313 N CB 0.427 39.016 38.487 0.169 0.000 1.190 313 N HN 0.426 nan 8.380 nan 0.000 0.495 314 D N -0.329 120.142 120.400 0.119 0.000 2.182 314 D HA -0.156 4.484 4.640 -0.001 0.000 0.201 314 D C 1.579 177.917 176.300 0.062 0.000 0.986 314 D CA 1.649 55.697 54.000 0.079 0.000 0.847 314 D CB -0.502 40.325 40.800 0.045 0.000 0.942 314 D HN 0.733 nan 8.370 nan 0.000 0.467 315 A N -0.135 122.736 122.820 0.085 0.000 2.070 315 A HA -0.137 4.182 4.320 -0.001 0.000 0.220 315 A C 1.237 178.650 177.584 -0.286 0.000 1.159 315 A CA 0.896 52.882 52.037 -0.085 0.000 0.656 315 A CB -0.473 18.476 19.000 -0.085 0.000 0.800 315 A HN 0.171 nan 8.150 nan 0.000 0.453 316 F N -1.694 118.256 119.950 0.000 0.000 2.698 316 F HA 0.452 4.978 4.527 -0.001 0.000 0.304 316 F C 1.580 177.375 175.800 -0.009 0.000 1.108 316 F CA 0.219 58.216 58.000 -0.004 0.000 1.263 316 F CB 0.547 39.547 39.000 0.001 0.000 1.013 316 F HN 0.288 nan 8.300 nan 0.000 0.532 317 G N -0.501 108.366 108.800 0.111 0.000 2.218 317 G HA2 -0.079 3.881 3.960 -0.001 0.000 0.216 317 G HA3 -0.079 3.881 3.960 -0.001 0.000 0.216 317 G C 1.315 176.256 174.900 0.068 0.000 0.994 317 G CA -0.128 45.006 45.100 0.057 0.000 0.637 317 G HN 1.012 nan 8.290 nan 0.000 0.505 318 G N -0.233 108.634 108.800 0.113 0.000 2.186 318 G HA2 0.123 4.082 3.960 -0.001 0.000 0.266 318 G HA3 0.123 4.082 3.960 -0.001 0.000 0.266 318 G C 1.546 176.550 174.900 0.173 0.000 0.982 318 G CA 1.289 46.462 45.100 0.121 0.000 0.670 318 G HN 2.097 nan 8.290 nan 0.000 0.533 319 G N -0.628 108.253 108.800 0.135 0.000 2.653 319 G HA2 0.702 4.661 3.960 -0.001 0.000 0.265 319 G HA3 0.702 4.661 3.960 -0.001 0.000 0.265 319 G C 0.332 175.380 174.900 0.246 0.000 1.237 319 G CA 1.067 46.279 45.100 0.185 0.000 0.946 319 G HN 1.897 nan 8.290 nan 0.000 0.522 320 S N -1.908 113.979 115.700 0.312 0.000 2.615 320 S HA 0.602 5.071 4.470 -0.001 0.000 0.269 320 S C -1.760 172.921 174.600 0.135 0.000 1.161 320 S CA -0.797 57.495 58.200 0.153 0.000 0.817 320 S CB 1.846 65.065 63.200 0.030 0.000 1.131 320 S HN 1.178 nan 8.310 nan 0.000 0.467 321 L N 1.452 122.715 121.223 0.067 0.000 2.406 321 L HA 0.759 5.098 4.340 -0.001 0.000 0.272 321 L C -0.920 175.954 176.870 0.006 0.000 0.980 321 L CA 0.219 55.092 54.840 0.054 0.000 0.831 321 L CB 1.853 43.956 42.059 0.073 0.000 1.253 321 L HN 0.958 nan 8.230 nan 0.000 0.406 322 T N 4.233 118.774 114.554 -0.022 0.000 2.797 322 T HA 0.870 5.219 4.350 -0.001 0.000 0.279 322 T C -0.405 174.256 174.700 -0.065 0.000 0.991 322 T CA -0.310 61.763 62.100 -0.045 0.000 0.979 322 T CB 1.467 70.296 68.868 -0.065 0.000 0.943 322 T HN 0.794 nan 8.240 nan 0.000 0.444 323 A N 3.280 126.069 122.820 -0.051 0.000 2.350 323 A HA 0.813 5.132 4.320 -0.001 0.000 0.324 323 A C -0.616 176.924 177.584 -0.074 0.000 1.118 323 A CA -0.744 51.236 52.037 -0.094 0.000 0.783 323 A CB 0.775 19.794 19.000 0.031 0.000 1.236 323 A HN 0.863 nan 8.150 nan 0.000 0.457 324 L N 3.977 125.121 121.223 -0.133 0.000 2.445 324 L HA 0.321 4.660 4.340 -0.001 0.000 0.252 324 L C -2.433 174.401 176.870 -0.059 0.000 1.105 324 L CA -1.725 53.073 54.840 -0.070 0.000 0.943 324 L CB 1.632 43.655 42.059 -0.059 0.000 1.277 324 L HN 0.484 nan 8.230 nan 0.000 0.465 325 P HA 0.201 nan 4.420 nan 0.000 0.278 325 P C -0.540 176.762 177.300 0.004 0.000 1.238 325 P CA -0.193 62.954 63.100 0.079 0.000 0.794 325 P CB 1.985 33.714 31.700 0.049 0.000 0.955 326 V N 3.987 123.895 119.914 -0.010 0.000 2.581 326 V HA 0.484 4.604 4.120 -0.001 0.000 0.303 326 V C 0.243 176.323 176.094 -0.023 0.000 1.041 326 V CA -0.598 61.697 62.300 -0.007 0.000 0.907 326 V CB 1.859 33.684 31.823 0.004 0.000 0.994 326 V HN 0.421 nan 8.190 nan 0.000 0.442 327 I N 2.868 123.437 120.570 -0.001 0.000 2.619 327 I HA 0.408 4.577 4.170 -0.001 0.000 0.292 327 I C -0.242 175.898 176.117 0.039 0.000 1.100 327 I CA -0.428 60.874 61.300 0.004 0.000 1.043 327 I CB 2.245 40.242 38.000 -0.005 0.000 1.239 327 I HN 0.823 nan 8.210 nan 0.000 0.420 328 E N 4.741 124.969 120.200 0.046 0.000 2.115 328 E HA 0.403 4.752 4.350 -0.001 0.000 0.282 328 E C -0.387 176.258 176.600 0.076 0.000 0.987 328 E CA -0.387 56.049 56.400 0.060 0.000 0.797 328 E CB 1.066 30.798 29.700 0.055 0.000 1.086 328 E HN 0.697 nan 8.360 nan 0.000 0.397 329 T N 1.915 116.527 114.554 0.097 0.000 2.824 329 T HA 0.327 4.676 4.350 -0.001 0.000 0.277 329 T C -0.020 174.737 174.700 0.095 0.000 0.975 329 T CA -0.925 61.241 62.100 0.109 0.000 0.966 329 T CB 1.263 70.231 68.868 0.166 0.000 1.054 329 T HN 0.437 nan 8.240 nan 0.000 0.533 330 Q N -0.093 119.763 119.800 0.094 0.000 2.353 330 Q HA 0.552 4.891 4.340 -0.001 0.000 0.268 330 Q C -0.075 175.976 176.000 0.084 0.000 1.045 330 Q CA -0.721 55.130 55.803 0.080 0.000 0.811 330 Q CB 1.936 30.719 28.738 0.075 0.000 1.305 330 Q HN 1.278 nan 8.270 nan 0.000 0.447 331 A N 1.632 124.497 122.820 0.075 0.000 2.560 331 A HA -0.172 4.147 4.320 -0.001 0.000 0.299 331 A C 1.146 178.793 177.584 0.105 0.000 1.484 331 A CA 1.012 53.095 52.037 0.077 0.000 0.749 331 A CB -2.200 16.840 19.000 0.065 0.000 1.072 331 A HN 1.492 nan 8.150 nan 0.000 0.426 332 G N -0.250 108.629 108.800 0.132 0.000 2.453 332 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.313 332 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.313 332 G C 0.086 175.125 174.900 0.232 0.000 0.948 332 G CA 1.295 46.533 45.100 0.229 0.000 0.846 332 G HN 1.707 nan 8.290 nan 0.000 0.512 333 D N -0.275 120.208 120.400 0.138 0.000 2.422 333 D HA 0.380 5.020 4.640 -0.001 0.000 0.227 333 D C 1.640 177.956 176.300 0.027 0.000 1.190 333 D CA 0.066 54.111 54.000 0.076 0.000 0.905 333 D CB 0.707 41.546 40.800 0.065 0.000 1.034 333 D HN 0.276 nan 8.370 nan 0.000 0.507 334 V N 1.289 121.155 119.914 -0.082 0.000 3.217 334 V HA -0.044 4.075 4.120 -0.001 0.000 0.264 334 V C 1.745 177.773 176.094 -0.111 0.000 1.135 334 V CA 0.845 63.030 62.300 -0.192 0.000 1.142 334 V CB -0.433 31.076 31.823 -0.523 0.000 0.754 334 V HN 0.355 nan 8.190 nan 0.000 0.484 335 S N 1.091 116.754 115.700 -0.062 0.000 2.461 335 S HA 0.318 4.787 4.470 -0.001 0.000 0.228 335 S C 1.418 176.027 174.600 0.016 0.000 1.005 335 S CA 0.479 58.663 58.200 -0.027 0.000 0.942 335 S CB -0.435 62.756 63.200 -0.015 0.000 0.776 335 S HN 0.916 nan 8.310 nan 0.000 0.514 336 A N 1.551 124.391 122.820 0.034 0.000 2.616 336 A HA -0.016 4.303 4.320 -0.001 0.000 0.234 336 A C 0.947 178.596 177.584 0.107 0.000 1.024 336 A CA 0.115 52.201 52.037 0.082 0.000 0.758 336 A CB -0.413 18.633 19.000 0.077 0.000 0.939 336 A HN 0.440 nan 8.150 nan 0.000 0.510 337 Y N 2.975 123.287 120.300 0.020 0.000 2.030 337 Y HA -0.303 4.246 4.550 -0.001 0.000 0.272 337 Y C 1.683 177.588 175.900 0.009 0.000 1.185 337 Y CA 2.738 60.847 58.100 0.015 0.000 1.120 337 Y CB -0.520 37.958 38.460 0.030 0.000 0.955 337 Y HN 0.602 nan 8.280 nan 0.000 0.495 338 I N 0.218 120.672 120.570 -0.193 0.000 2.113 338 I HA -0.201 3.969 4.170 -0.001 0.000 0.238 338 I C -0.622 175.415 176.117 -0.134 0.000 1.070 338 I CA 1.713 62.834 61.300 -0.299 0.000 1.332 338 I CB -1.682 36.174 38.000 -0.240 0.000 1.044 338 I HN 0.166 nan 8.210 nan 0.000 0.402 339 P HA -0.229 nan 4.420 nan 0.000 0.217 339 P C 1.688 178.964 177.300 -0.040 0.000 1.162 339 P CA 2.783 65.865 63.100 -0.029 0.000 0.901 339 P CB -0.387 31.306 31.700 -0.012 0.000 0.793 340 T N -4.434 110.096 114.554 -0.040 0.000 2.904 340 T HA -0.082 4.267 4.350 -0.001 0.000 0.267 340 T C 1.704 176.390 174.700 -0.024 0.000 1.059 340 T CA 1.109 63.191 62.100 -0.029 0.000 1.137 340 T CB -1.092 67.769 68.868 -0.012 0.000 0.879 340 T HN -0.036 nan 8.240 nan 0.000 0.467 341 N N 1.565 120.220 118.700 -0.076 0.000 2.036 341 N HA -0.081 4.658 4.740 -0.001 0.000 0.195 341 N C 1.909 177.489 175.510 0.116 0.000 1.037 341 N CA 1.450 54.495 53.050 -0.010 0.000 0.855 341 N CB -0.808 37.613 38.487 -0.110 0.000 1.033 341 N HN 0.381 nan 8.380 nan 0.000 0.423 342 V N 1.064 121.009 119.914 0.052 0.000 2.453 342 V HA -0.061 4.058 4.120 -0.001 0.000 0.247 342 V C 2.160 178.273 176.094 0.032 0.000 1.048 342 V CA 0.893 63.220 62.300 0.045 0.000 1.049 342 V CB -0.380 31.433 31.823 -0.017 0.000 0.672 342 V HN 0.260 nan 8.190 nan 0.000 0.457 343 I N 1.597 122.176 120.570 0.015 0.000 2.567 343 I HA -0.169 4.000 4.170 -0.001 0.000 0.257 343 I C 2.191 178.328 176.117 0.033 0.000 1.184 343 I CA 1.731 63.037 61.300 0.009 0.000 1.451 343 I CB -0.282 37.708 38.000 -0.016 0.000 1.089 343 I HN 0.493 nan 8.210 nan 0.000 0.441 344 S N -0.566 115.174 115.700 0.066 0.000 2.671 344 S HA 0.224 4.693 4.470 -0.001 0.000 0.220 344 S C 1.261 175.953 174.600 0.154 0.000 0.951 344 S CA -0.077 58.178 58.200 0.092 0.000 0.932 344 S CB -0.153 63.092 63.200 0.075 0.000 0.777 344 S HN 0.414 nan 8.310 nan 0.000 0.508 345 I N 1.042 121.685 120.570 0.122 0.000 3.873 345 I HA 0.089 4.258 4.170 -0.001 0.000 0.284 345 I C 1.327 177.470 176.117 0.043 0.000 1.186 345 I CA 0.482 61.840 61.300 0.097 0.000 1.362 345 I CB 0.163 38.189 38.000 0.042 0.000 1.432 345 I HN 0.355 nan 8.210 nan 0.000 0.454 346 T N -1.544 113.026 114.554 0.028 0.000 2.726 346 T HA 0.083 4.432 4.350 -0.001 0.000 0.294 346 T C 0.283 174.994 174.700 0.018 0.000 1.013 346 T CA -0.354 61.755 62.100 0.015 0.000 0.996 346 T CB 0.614 69.487 68.868 0.008 0.000 1.016 346 T HN 0.028 nan 8.240 nan 0.000 0.529 347 D N 0.828 121.235 120.400 0.011 0.000 2.690 347 D HA 0.422 5.061 4.640 -0.001 0.000 0.236 347 D C 0.915 177.220 176.300 0.009 0.000 1.218 347 D CA 0.325 54.331 54.000 0.009 0.000 0.829 347 D CB -0.413 40.389 40.800 0.002 0.000 1.009 347 D HN 0.990 nan 8.370 nan 0.000 0.482 348 G N 0.713 109.520 108.800 0.012 0.000 2.347 348 G HA2 0.174 4.134 3.960 -0.001 0.000 0.477 348 G HA3 0.174 4.134 3.960 -0.001 0.000 0.477 348 G C -1.802 173.110 174.900 0.020 0.000 1.349 348 G CA -1.018 44.091 45.100 0.015 0.000 1.000 348 G HN 0.090 nan 8.290 nan 0.000 0.605 349 Q N -1.267 118.552 119.800 0.031 0.000 2.435 349 Q HA 0.745 5.084 4.340 -0.001 0.000 0.282 349 Q C -0.733 175.313 176.000 0.075 0.000 1.020 349 Q CA -0.622 55.210 55.803 0.048 0.000 0.820 349 Q CB 2.158 30.926 28.738 0.051 0.000 1.436 349 Q HN 0.730 nan 8.270 nan 0.000 0.395 350 I N 1.989 122.614 120.570 0.092 0.000 2.390 350 I HA 0.389 4.558 4.170 -0.001 0.000 0.283 350 I C -1.147 175.075 176.117 0.175 0.000 1.016 350 I CA -0.722 60.640 61.300 0.104 0.000 1.151 350 I CB 0.628 38.664 38.000 0.059 0.000 1.293 350 I HN 0.516 nan 8.210 nan 0.000 0.458 351 F N 8.122 128.082 119.950 0.017 0.000 2.404 351 F HA 0.553 5.080 4.527 -0.001 0.000 0.354 351 F C -0.847 174.969 175.800 0.026 0.000 1.122 351 F CA -0.752 57.260 58.000 0.020 0.000 1.080 351 F CB 0.743 39.755 39.000 0.020 0.000 1.131 351 F HN 0.196 nan 8.300 nan 0.000 0.471 352 L N 6.162 127.148 121.223 -0.394 0.000 2.275 352 L HA 0.445 4.785 4.340 -0.001 0.000 0.288 352 L C -0.292 176.228 176.870 -0.583 0.000 1.046 352 L CA -0.503 54.118 54.840 -0.364 0.000 0.805 352 L CB 1.392 43.361 42.059 -0.149 0.000 1.193 352 L HN 0.586 nan 8.230 nan 0.000 0.426 353 E N 0.258 120.203 120.200 -0.425 0.000 2.195 353 E HA 0.185 4.535 4.350 -0.001 0.000 0.271 353 E C 0.513 177.040 176.600 -0.121 0.000 0.923 353 E CA -0.287 55.915 56.400 -0.330 0.000 0.790 353 E CB 2.103 31.660 29.700 -0.238 0.000 1.155 353 E HN 0.699 nan 8.360 nan 0.000 0.402 354 T N -0.797 113.711 114.554 -0.076 0.000 2.951 354 T HA -0.150 4.200 4.350 -0.001 0.000 0.268 354 T C 1.503 176.292 174.700 0.147 0.000 1.073 354 T CA 1.033 63.119 62.100 -0.023 0.000 1.134 354 T CB 0.090 68.981 68.868 0.039 0.000 0.884 354 T HN 0.544 nan 8.240 nan 0.000 0.479 355 E N 1.075 121.348 120.200 0.121 0.000 2.031 355 E HA -0.121 4.228 4.350 -0.001 0.000 0.193 355 E C 2.201 178.885 176.600 0.140 0.000 0.994 355 E CA 1.198 57.690 56.400 0.153 0.000 0.800 355 E CB -0.337 29.420 29.700 0.096 0.000 0.752 355 E HN 0.588 nan 8.360 nan 0.000 0.447 356 L N 0.060 121.330 121.223 0.078 0.000 2.012 356 L HA -0.174 4.166 4.340 -0.001 0.000 0.210 356 L C 2.589 179.495 176.870 0.061 0.000 1.073 356 L CA 1.315 56.187 54.840 0.054 0.000 0.748 356 L CB -0.591 41.477 42.059 0.014 0.000 0.891 356 L HN 0.213 nan 8.230 nan 0.000 0.431 357 F N -0.054 119.823 119.950 -0.123 0.000 2.065 357 F HA -0.316 4.210 4.527 -0.001 0.000 0.298 357 F C 2.410 178.075 175.800 -0.225 0.000 1.112 357 F CA 1.707 59.573 58.000 -0.223 0.000 1.212 357 F CB -0.431 38.345 39.000 -0.373 0.000 0.975 357 F HN -0.062 nan 8.300 nan 0.000 0.476 358 Y N 0.292 120.772 120.300 0.301 0.000 2.242 358 Y HA -0.142 4.407 4.550 -0.001 0.000 0.291 358 Y C 2.375 178.319 175.900 0.072 0.000 1.137 358 Y CA 1.547 59.760 58.100 0.188 0.000 1.181 358 Y CB -0.850 37.699 38.460 0.149 0.000 0.989 358 Y HN -0.003 nan 8.280 nan 0.000 0.527 359 K N -0.836 119.673 120.400 0.182 0.000 2.442 359 K HA -0.036 4.284 4.320 -0.001 0.000 0.198 359 K C 1.486 178.109 176.600 0.038 0.000 1.044 359 K CA 0.927 57.274 56.287 0.100 0.000 0.948 359 K CB -0.312 32.236 32.500 0.081 0.000 0.762 359 K HN 0.526 nan 8.250 nan 0.000 0.472 360 G N 0.230 109.017 108.800 -0.022 0.000 2.253 360 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.209 360 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.209 360 G C 0.045 174.879 174.900 -0.111 0.000 0.997 360 G CA -0.328 44.727 45.100 -0.075 0.000 0.640 360 G HN 0.105 nan 8.290 nan 0.000 0.496 361 I N 2.946 123.469 120.570 -0.079 0.000 2.455 361 I HA 0.269 4.438 4.170 -0.001 0.000 0.303 361 I C 0.659 176.695 176.117 -0.134 0.000 1.180 361 I CA 0.483 61.740 61.300 -0.072 0.000 1.469 361 I CB -0.933 37.057 38.000 -0.017 0.000 1.480 361 I HN 0.181 nan 8.210 nan 0.000 0.669 362 R N 6.251 126.642 120.500 -0.182 0.000 2.480 362 R HA 0.469 4.808 4.340 -0.001 0.000 0.306 362 R C -2.571 173.653 176.300 -0.127 0.000 0.958 362 R CA -1.848 54.119 56.100 -0.221 0.000 0.861 362 R CB 1.813 31.862 30.300 -0.419 0.000 1.171 362 R HN 0.158 nan 8.270 nan 0.000 0.445 363 P HA -0.051 nan 4.420 nan 0.000 0.267 363 P C -0.120 177.157 177.300 -0.040 0.000 1.200 363 P CA 0.159 63.226 63.100 -0.055 0.000 0.772 363 P CB 0.665 32.347 31.700 -0.029 0.000 0.855 364 A N 3.700 126.523 122.820 0.004 0.000 2.543 364 A HA 0.108 4.428 4.320 -0.001 0.000 0.258 364 A C 0.596 178.153 177.584 -0.045 0.000 1.391 364 A CA -0.137 51.899 52.037 -0.002 0.000 1.066 364 A CB -1.489 17.549 19.000 0.063 0.000 0.972 364 A HN 0.490 nan 8.150 nan 0.000 0.560 365 I N 1.193 121.748 120.570 -0.025 0.000 2.618 365 I HA -0.053 4.116 4.170 -0.001 0.000 0.284 365 I C 0.677 176.794 176.117 0.000 0.000 1.146 365 I CA -0.050 61.242 61.300 -0.013 0.000 1.425 365 I CB 0.389 38.396 38.000 0.012 0.000 1.383 365 I HN 0.329 nan 8.210 nan 0.000 0.562 366 N N 6.963 125.671 118.700 0.013 0.000 2.521 366 N HA 0.093 4.832 4.740 -0.001 0.000 0.236 366 N C 0.771 176.347 175.510 0.110 0.000 1.067 366 N CA -0.092 53.001 53.050 0.071 0.000 0.939 366 N CB 1.176 39.740 38.487 0.128 0.000 1.201 366 N HN 0.440 nan 8.380 nan 0.000 0.511 367 V N 3.962 123.926 119.914 0.083 0.000 2.233 367 V HA -0.299 3.821 4.120 -0.001 0.000 0.252 367 V C 2.395 178.538 176.094 0.080 0.000 1.063 367 V CA 2.572 64.918 62.300 0.077 0.000 1.032 367 V CB -1.088 30.781 31.823 0.076 0.000 0.645 367 V HN 0.760 nan 8.190 nan 0.000 0.446 368 G N -0.664 108.185 108.800 0.083 0.000 2.491 368 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.218 368 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.218 368 G C 1.479 176.424 174.900 0.075 0.000 1.180 368 G CA 1.208 46.351 45.100 0.071 0.000 0.774 368 G HN 0.507 nan 8.290 nan 0.000 0.562 369 L N 0.891 122.183 121.223 0.116 0.000 2.492 369 L HA 0.152 4.491 4.340 -0.001 0.000 0.223 369 L C 0.871 177.799 176.870 0.097 0.000 1.132 369 L CA -0.187 54.712 54.840 0.098 0.000 0.850 369 L CB -0.033 42.117 42.059 0.152 0.000 0.966 369 L HN 0.053 nan 8.230 nan 0.000 0.454 370 S N 0.052 115.825 115.700 0.122 0.000 2.610 370 S HA 0.561 5.030 4.470 -0.001 0.000 0.273 370 S C -0.124 174.511 174.600 0.058 0.000 1.274 370 S CA -0.622 57.639 58.200 0.101 0.000 1.023 370 S CB 2.097 65.362 63.200 0.108 0.000 0.962 370 S HN 0.095 nan 8.310 nan 0.000 0.523 371 V N -0.963 118.977 119.914 0.043 0.000 3.206 371 V HA 0.946 5.065 4.120 -0.001 0.000 0.305 371 V C -0.737 175.370 176.094 0.023 0.000 1.257 371 V CA -0.862 61.455 62.300 0.028 0.000 1.057 371 V CB 1.788 33.623 31.823 0.019 0.000 1.075 371 V HN 0.784 nan 8.190 nan 0.000 0.443 372 S N 0.535 116.244 115.700 0.016 0.000 2.733 372 S HA 0.520 4.989 4.470 -0.001 0.000 0.294 372 S C 0.373 174.978 174.600 0.007 0.000 1.149 372 S CA -0.766 57.441 58.200 0.010 0.000 1.034 372 S CB 1.664 64.868 63.200 0.007 0.000 1.015 372 S HN 0.854 nan 8.310 nan 0.000 0.486 373 R N 3.170 123.673 120.500 0.006 0.000 2.323 373 R HA 0.105 4.444 4.340 -0.001 0.000 0.198 373 R C 1.027 177.327 176.300 0.001 0.000 0.988 373 R CA 0.441 56.544 56.100 0.005 0.000 1.041 373 R CB -0.147 30.157 30.300 0.007 0.000 0.926 373 R HN 0.509 nan 8.270 nan 0.000 0.476 374 V N 0.140 120.053 119.914 -0.002 0.000 2.992 374 V HA 0.106 4.226 4.120 -0.001 0.000 0.250 374 V C 1.347 177.438 176.094 -0.005 0.000 1.090 374 V CA 1.092 63.388 62.300 -0.007 0.000 1.101 374 V CB -0.075 31.740 31.823 -0.013 0.000 0.743 374 V HN 0.649 nan 8.190 nan 0.000 0.468 375 G N 1.144 109.943 108.800 -0.002 0.000 2.601 375 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.252 375 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.252 375 G C 0.961 175.858 174.900 -0.004 0.000 1.294 375 G CA 0.569 45.668 45.100 -0.001 0.000 0.912 375 G HN 0.831 nan 8.290 nan 0.000 0.574 376 S N -0.334 115.364 115.700 -0.003 0.000 2.474 376 S HA 0.230 4.699 4.470 -0.001 0.000 0.235 376 S C 2.574 177.170 174.600 -0.008 0.000 0.997 376 S CA 1.625 59.823 58.200 -0.003 0.000 0.949 376 S CB -0.349 62.851 63.200 -0.000 0.000 0.766 376 S HN 2.174 nan 8.310 nan 0.000 0.517 377 A N 1.211 124.026 122.820 -0.009 0.000 2.194 377 A HA 0.305 4.624 4.320 -0.001 0.000 0.220 377 A C 2.033 179.604 177.584 -0.021 0.000 1.162 377 A CA 1.343 53.372 52.037 -0.013 0.000 0.674 377 A CB -0.863 18.129 19.000 -0.012 0.000 0.789 377 A HN 0.913 nan 8.150 nan 0.000 0.470 378 A N -1.557 121.250 122.820 -0.022 0.000 2.465 378 A HA 0.389 4.709 4.320 -0.001 0.000 0.255 378 A C 0.616 178.181 177.584 -0.032 0.000 1.274 378 A CA -0.226 51.791 52.037 -0.034 0.000 0.920 378 A CB 0.100 19.078 19.000 -0.035 0.000 1.033 378 A HN 0.554 nan 8.150 nan 0.000 0.516 379 Q N 0.663 120.450 119.800 -0.021 0.000 2.309 379 Q HA 0.426 4.765 4.340 -0.001 0.000 0.264 379 Q C 0.040 176.033 176.000 -0.012 0.000 1.008 379 Q CA -0.513 55.281 55.803 -0.014 0.000 0.853 379 Q CB 1.849 30.584 28.738 -0.005 0.000 1.314 379 Q HN 0.474 nan 8.270 nan 0.000 0.448 380 T N -0.709 113.839 114.554 -0.009 0.000 2.856 380 T HA 0.113 4.462 4.350 -0.001 0.000 0.306 380 T C 0.902 175.604 174.700 0.003 0.000 1.062 380 T CA -0.227 61.870 62.100 -0.005 0.000 1.083 380 T CB 0.824 69.693 68.868 0.001 0.000 0.984 380 T HN 0.582 nan 8.240 nan 0.000 0.542 381 R N 1.524 122.026 120.500 0.004 0.000 2.120 381 R HA 0.068 4.407 4.340 -0.001 0.000 0.234 381 R C 2.795 179.106 176.300 0.018 0.000 1.123 381 R CA 1.502 57.608 56.100 0.010 0.000 0.975 381 R CB -1.082 29.223 30.300 0.009 0.000 0.866 381 R HN 0.857 nan 8.270 nan 0.000 0.446 382 A N 0.553 123.383 122.820 0.017 0.000 1.865 382 A HA -0.265 4.054 4.320 -0.001 0.000 0.217 382 A C 2.119 179.725 177.584 0.036 0.000 1.191 382 A CA 1.907 53.959 52.037 0.026 0.000 0.623 382 A CB -0.513 18.497 19.000 0.018 0.000 0.826 382 A HN 0.300 nan 8.150 nan 0.000 0.444 383 M N -0.205 119.411 119.600 0.028 0.000 2.099 383 M HA -0.090 4.389 4.480 -0.001 0.000 0.262 383 M C 2.018 178.335 176.300 0.027 0.000 1.067 383 M CA 2.327 57.645 55.300 0.030 0.000 1.124 383 M CB -0.402 32.211 32.600 0.022 0.000 1.353 383 M HN 0.416 nan 8.290 nan 0.000 0.410 384 K N -0.499 119.912 120.400 0.019 0.000 2.074 384 K HA -0.259 4.060 4.320 -0.001 0.000 0.209 384 K C 2.012 178.624 176.600 0.021 0.000 1.048 384 K CA 2.070 58.367 56.287 0.015 0.000 0.926 384 K CB -0.199 32.307 32.500 0.010 0.000 0.713 384 K HN 0.571 nan 8.250 nan 0.000 0.444 385 Q N -0.010 119.808 119.800 0.030 0.000 2.030 385 Q HA -0.175 4.164 4.340 -0.001 0.000 0.204 385 Q C 2.224 178.251 176.000 0.045 0.000 0.986 385 Q CA 2.268 58.095 55.803 0.040 0.000 0.843 385 Q CB -0.182 28.589 28.738 0.056 0.000 0.904 385 Q HN 0.411 nan 8.270 nan 0.000 0.420 386 V N -2.723 117.227 119.914 0.060 0.000 2.407 386 V HA 0.076 4.195 4.120 -0.001 0.000 0.245 386 V C 1.617 177.724 176.094 0.020 0.000 1.041 386 V CA 1.583 63.917 62.300 0.057 0.000 1.040 386 V CB -0.549 31.334 31.823 0.100 0.000 0.671 386 V HN 0.237 nan 8.190 nan 0.000 0.455 387 A N 0.403 123.235 122.820 0.020 0.000 2.460 387 A HA 0.585 4.905 4.320 -0.001 0.000 0.258 387 A C 1.930 179.517 177.584 0.004 0.000 1.300 387 A CA 0.514 52.556 52.037 0.008 0.000 0.913 387 A CB -0.699 18.309 19.000 0.013 0.000 1.031 387 A HN 0.627 nan 8.150 nan 0.000 0.512 388 G N 0.554 109.356 108.800 0.004 0.000 2.469 388 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.219 388 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.219 388 G C 1.461 176.360 174.900 -0.002 0.000 1.150 388 G CA 2.001 47.102 45.100 0.002 0.000 0.763 388 G HN 0.778 nan 8.290 nan 0.000 0.561 389 T N -3.232 111.318 114.554 -0.007 0.000 3.040 389 T HA 0.288 4.638 4.350 -0.001 0.000 0.266 389 T C 2.071 176.766 174.700 -0.008 0.000 1.005 389 T CA 0.546 62.641 62.100 -0.008 0.000 0.906 389 T CB 0.092 68.952 68.868 -0.014 0.000 1.082 389 T HN 0.134 nan 8.240 nan 0.000 0.531 390 M N 1.314 120.908 119.600 -0.011 0.000 2.108 390 M HA -0.147 4.332 4.480 -0.001 0.000 0.257 390 M C 2.321 178.624 176.300 0.005 0.000 1.071 390 M CA 1.843 57.137 55.300 -0.011 0.000 1.093 390 M CB -0.223 32.370 32.600 -0.013 0.000 1.345 390 M HN 0.262 nan 8.290 nan 0.000 0.403 391 K N 0.290 120.697 120.400 0.012 0.000 1.991 391 K HA -0.177 4.142 4.320 -0.001 0.000 0.212 391 K C 1.698 178.316 176.600 0.029 0.000 1.049 391 K CA 1.724 58.025 56.287 0.023 0.000 0.932 391 K CB -0.323 32.190 32.500 0.022 0.000 0.717 391 K HN 0.413 nan 8.250 nan 0.000 0.441 392 L N 0.532 121.767 121.223 0.021 0.000 2.456 392 L HA -0.120 4.219 4.340 -0.001 0.000 0.224 392 L C 2.365 179.253 176.870 0.029 0.000 1.148 392 L CA 0.811 55.664 54.840 0.022 0.000 0.825 392 L CB -0.291 41.775 42.059 0.012 0.000 0.937 392 L HN 0.397 nan 8.230 nan 0.000 0.450 393 E N 0.761 120.977 120.200 0.026 0.000 2.051 393 E HA -0.154 4.195 4.350 -0.001 0.000 0.189 393 E C 2.347 178.995 176.600 0.079 0.000 0.979 393 E CA 0.659 57.077 56.400 0.030 0.000 0.803 393 E CB 0.076 29.775 29.700 -0.002 0.000 0.761 393 E HN 0.420 nan 8.360 nan 0.000 0.451 394 L N 0.477 121.751 121.223 0.085 0.000 2.141 394 L HA -0.128 4.211 4.340 -0.001 0.000 0.209 394 L C 2.537 179.514 176.870 0.180 0.000 1.094 394 L CA 0.912 55.855 54.840 0.171 0.000 0.763 394 L CB -0.351 41.781 42.059 0.121 0.000 0.908 394 L HN 0.227 nan 8.230 nan 0.000 0.437 395 A N -0.703 122.176 122.820 0.099 0.000 1.845 395 A HA -0.226 4.093 4.320 -0.001 0.000 0.215 395 A C 2.193 179.809 177.584 0.054 0.000 1.195 395 A CA 1.284 53.360 52.037 0.064 0.000 0.616 395 A CB -0.478 18.548 19.000 0.042 0.000 0.832 395 A HN 0.347 nan 8.150 nan 0.000 0.443 396 Q N -1.711 118.125 119.800 0.060 0.000 2.364 396 Q HA -0.176 4.163 4.340 -0.001 0.000 0.209 396 Q C 1.737 177.789 176.000 0.086 0.000 0.977 396 Q CA 1.557 57.389 55.803 0.048 0.000 0.885 396 Q CB -0.376 28.385 28.738 0.039 0.000 0.941 396 Q HN 0.921 nan 8.270 nan 0.000 0.464 397 Y N 0.780 121.081 120.300 0.002 0.000 2.269 397 Y HA -0.029 4.520 4.550 -0.001 0.000 0.294 397 Y C 2.018 177.929 175.900 0.019 0.000 1.120 397 Y CA 1.109 59.213 58.100 0.006 0.000 1.159 397 Y CB -0.117 38.344 38.460 0.002 0.000 1.024 397 Y HN -0.093 nan 8.280 nan 0.000 0.532 398 R N 0.420 120.715 120.500 -0.342 0.000 2.096 398 R HA -0.152 4.187 4.340 -0.001 0.000 0.235 398 R C 2.308 178.474 176.300 -0.224 0.000 1.127 398 R CA 1.427 57.282 56.100 -0.408 0.000 0.968 398 R CB -0.344 29.863 30.300 -0.155 0.000 0.861 398 R HN 0.338 nan 8.270 nan 0.000 0.440 399 E N 0.754 120.890 120.200 -0.105 0.000 2.001 399 E HA -0.159 4.190 4.350 -0.001 0.000 0.195 399 E C 2.038 178.627 176.600 -0.018 0.000 1.002 399 E CA 2.056 58.429 56.400 -0.044 0.000 0.819 399 E CB -0.193 29.487 29.700 -0.034 0.000 0.769 399 E HN 0.153 nan 8.360 nan 0.000 0.454 400 V N 0.665 120.575 119.914 -0.007 0.000 2.380 400 V HA -0.239 3.880 4.120 -0.001 0.000 0.251 400 V C 2.621 178.727 176.094 0.021 0.000 1.063 400 V CA 2.241 64.578 62.300 0.063 0.000 1.055 400 V CB -1.639 30.231 31.823 0.078 0.000 0.657 400 V HN 0.334 nan 8.190 nan 0.000 0.455 401 A N 0.491 123.243 122.820 -0.113 0.000 1.978 401 A HA 0.018 4.337 4.320 -0.001 0.000 0.220 401 A C 2.414 179.966 177.584 -0.054 0.000 1.170 401 A CA 2.388 54.341 52.037 -0.140 0.000 0.636 401 A CB -0.767 17.980 19.000 -0.422 0.000 0.810 401 A HN 0.827 nan 8.150 nan 0.000 0.448 402 A N -1.411 121.398 122.820 -0.019 0.000 1.861 402 A HA 0.111 4.430 4.320 -0.001 0.000 0.212 402 A C 1.857 179.526 177.584 0.142 0.000 1.199 402 A CA 1.152 53.231 52.037 0.072 0.000 0.613 402 A CB -0.748 18.298 19.000 0.077 0.000 0.846 402 A HN 0.617 nan 8.150 nan 0.000 0.446 403 F N 0.874 120.792 119.950 -0.053 0.000 2.481 403 F HA -0.010 4.516 4.527 -0.001 0.000 0.297 403 F C 1.614 177.078 175.800 -0.558 0.000 1.095 403 F CA 0.749 58.647 58.000 -0.171 0.000 1.465 403 F CB -0.022 38.895 39.000 -0.138 0.000 1.098 403 F HN 0.198 nan 8.300 nan 0.000 0.585 404 A N -0.570 121.974 122.820 -0.459 0.000 2.610 404 A HA 0.239 4.558 4.320 -0.001 0.000 0.291 404 A C 1.094 178.520 177.584 -0.264 0.000 1.116 404 A CA -0.375 51.285 52.037 -0.629 0.000 0.963 404 A CB -0.428 18.393 19.000 -0.298 0.000 1.220 404 A HN 0.383 nan 8.150 nan 0.000 0.530 405 Q N 0.456 120.290 119.800 0.057 0.000 2.425 405 Q HA 0.143 4.483 4.340 -0.001 0.000 0.213 405 Q C -1.060 175.243 176.000 0.505 0.000 0.950 405 Q CA 0.294 56.266 55.803 0.282 0.000 0.979 405 Q CB -0.751 28.155 28.738 0.279 0.000 0.997 405 Q HN 0.748 nan 8.270 nan 0.000 0.509 406 F N -4.538 115.358 119.950 -0.091 0.000 3.667 406 F HA 0.307 4.833 4.527 -0.001 0.000 0.396 406 F C 0.246 175.973 175.800 -0.120 0.000 1.173 406 F CA -2.104 55.835 58.000 -0.101 0.000 1.453 406 F CB -0.408 38.519 39.000 -0.122 0.000 2.117 406 F HN -0.103 nan 8.300 nan 0.000 0.789 407 G N 1.691 110.459 108.800 -0.053 0.000 2.615 407 G HA2 0.118 4.077 3.960 -0.001 0.000 0.273 407 G HA3 0.118 4.077 3.960 -0.001 0.000 0.273 407 G C 0.152 174.971 174.900 -0.135 0.000 0.657 407 G CA 0.066 45.102 45.100 -0.107 0.000 2.071 407 G HN 0.649 nan 8.290 nan 0.000 0.562 408 S N 1.977 117.513 115.700 -0.273 0.000 2.858 408 S HA 0.141 4.610 4.470 -0.001 0.000 0.328 408 S C 0.617 175.138 174.600 -0.132 0.000 1.149 408 S CA 0.429 58.488 58.200 -0.236 0.000 1.421 408 S CB -0.375 62.529 63.200 -0.494 0.000 1.461 408 S HN 0.907 nan 8.310 nan 0.000 0.587 409 D N 0.610 120.969 120.400 -0.067 0.000 2.956 409 D HA -0.240 4.399 4.640 -0.001 0.000 0.206 409 D C -0.622 175.661 176.300 -0.028 0.000 1.269 409 D CA 0.417 54.397 54.000 -0.034 0.000 0.694 409 D CB -1.440 39.351 40.800 -0.016 0.000 0.910 409 D HN 0.510 nan 8.370 nan 0.000 0.389 410 L N 1.241 122.443 121.223 -0.036 0.000 2.319 410 L HA 0.248 4.587 4.340 -0.001 0.000 0.280 410 L C 1.727 178.595 176.870 -0.004 0.000 1.099 410 L CA -0.785 54.044 54.840 -0.018 0.000 0.828 410 L CB 0.481 42.522 42.059 -0.030 0.000 1.150 410 L HN 0.330 nan 8.230 nan 0.000 0.442 411 D N 3.139 123.543 120.400 0.006 0.000 2.058 411 D HA -0.019 4.620 4.640 -0.001 0.000 0.258 411 D C 0.836 177.137 176.300 0.002 0.000 1.192 411 D CA 0.243 54.246 54.000 0.005 0.000 0.967 411 D CB 0.809 41.614 40.800 0.008 0.000 1.217 411 D HN 0.505 nan 8.370 nan 0.000 0.515 412 A N -0.572 122.248 122.820 -0.000 0.000 1.938 412 A HA 0.366 4.685 4.320 -0.001 0.000 0.207 412 A C 2.256 179.838 177.584 -0.004 0.000 1.292 412 A CA 1.346 53.380 52.037 -0.004 0.000 0.700 412 A CB -1.020 17.975 19.000 -0.008 0.000 0.947 412 A HN 0.627 nan 8.150 nan 0.000 0.476 413 A N 0.133 122.951 122.820 -0.004 0.000 2.042 413 A HA -0.200 4.119 4.320 -0.001 0.000 0.222 413 A C 2.324 179.909 177.584 0.003 0.000 1.167 413 A CA 2.792 54.826 52.037 -0.005 0.000 0.649 413 A CB -1.187 17.809 19.000 -0.005 0.000 0.809 413 A HN 0.855 nan 8.150 nan 0.000 0.457 414 T N -4.055 110.506 114.554 0.012 0.000 3.051 414 T HA 0.046 4.395 4.350 -0.001 0.000 0.255 414 T C 1.815 176.533 174.700 0.030 0.000 1.085 414 T CA 1.064 63.181 62.100 0.029 0.000 1.109 414 T CB -0.080 68.813 68.868 0.041 0.000 0.921 414 T HN 0.500 nan 8.240 nan 0.000 0.488 415 Q N -0.177 119.631 119.800 0.013 0.000 2.187 415 Q HA -0.007 4.332 4.340 -0.001 0.000 0.199 415 Q C 2.566 178.565 176.000 -0.002 0.000 0.957 415 Q CA 0.812 56.620 55.803 0.008 0.000 0.857 415 Q CB -0.009 28.729 28.738 -0.001 0.000 0.929 415 Q HN 0.377 nan 8.270 nan 0.000 0.453 416 Q N 0.101 119.894 119.800 -0.011 0.000 2.123 416 Q HA -0.124 4.216 4.340 -0.001 0.000 0.199 416 Q C 1.983 177.961 176.000 -0.036 0.000 0.966 416 Q CA 0.768 56.553 55.803 -0.031 0.000 0.845 416 Q CB -0.100 28.617 28.738 -0.035 0.000 0.907 416 Q HN 0.340 nan 8.270 nan 0.000 0.439 417 L N 0.444 121.662 121.223 -0.008 0.000 2.083 417 L HA -0.110 4.229 4.340 -0.001 0.000 0.209 417 L C 2.072 178.958 176.870 0.026 0.000 1.083 417 L CA 1.509 56.356 54.840 0.010 0.000 0.752 417 L CB -0.660 41.429 42.059 0.050 0.000 0.899 417 L HN 0.180 nan 8.230 nan 0.000 0.433 418 L N -1.640 119.626 121.223 0.071 0.000 2.240 418 L HA -0.073 4.266 4.340 -0.001 0.000 0.211 418 L C 2.347 179.204 176.870 -0.022 0.000 1.106 418 L CA 0.825 55.745 54.840 0.134 0.000 0.793 418 L CB -0.507 41.648 42.059 0.159 0.000 0.927 418 L HN 0.135 nan 8.230 nan 0.000 0.446 419 S N -0.752 114.917 115.700 -0.052 0.000 2.387 419 S HA -0.056 4.413 4.470 -0.001 0.000 0.226 419 S C 2.117 176.630 174.600 -0.146 0.000 1.026 419 S CA 0.730 58.881 58.200 -0.081 0.000 0.972 419 S CB -0.066 63.098 63.200 -0.061 0.000 0.814 419 S HN 0.269 nan 8.310 nan 0.000 0.477 420 R N 1.131 121.525 120.500 -0.177 0.000 2.057 420 R HA 0.065 4.404 4.340 -0.001 0.000 0.229 420 R C 2.604 178.692 176.300 -0.353 0.000 1.136 420 R CA 1.359 57.330 56.100 -0.215 0.000 0.952 420 R CB -1.490 28.699 30.300 -0.184 0.000 0.848 420 R HN 0.464 nan 8.270 nan 0.000 0.430 421 G N 0.745 109.188 108.800 -0.596 0.000 2.599 421 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.219 421 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.219 421 G C 1.551 175.853 174.900 -0.996 0.000 1.193 421 G CA 1.695 45.976 45.100 -1.365 0.000 0.778 421 G HN 0.232 nan 8.290 nan 0.000 0.589 422 V N 1.253 120.815 119.914 -0.587 0.000 2.343 422 V HA -0.185 3.934 4.120 -0.001 0.000 0.247 422 V C 2.994 179.007 176.094 -0.136 0.000 1.051 422 V CA 2.054 64.245 62.300 -0.183 0.000 1.036 422 V CB -0.536 31.264 31.823 -0.038 0.000 0.654 422 V HN 0.281 nan 8.190 nan 0.000 0.451 423 R N 0.097 120.505 120.500 -0.153 0.000 2.081 423 R HA -0.040 4.300 4.340 -0.001 0.000 0.235 423 R C 2.281 178.521 176.300 -0.100 0.000 1.131 423 R CA 1.290 57.325 56.100 -0.109 0.000 0.960 423 R CB -0.970 29.257 30.300 -0.122 0.000 0.856 423 R HN 0.431 nan 8.270 nan 0.000 0.436 424 L N 0.486 121.624 121.223 -0.142 0.000 2.131 424 L HA -0.131 4.208 4.340 -0.001 0.000 0.210 424 L C 2.300 179.132 176.870 -0.064 0.000 1.092 424 L CA 1.297 56.074 54.840 -0.105 0.000 0.759 424 L CB -0.543 41.437 42.059 -0.131 0.000 0.903 424 L HN 0.193 nan 8.230 nan 0.000 0.435 425 T N -1.014 113.499 114.554 -0.068 0.000 2.867 425 T HA -0.136 4.214 4.350 -0.001 0.000 0.268 425 T C 1.749 176.452 174.700 0.005 0.000 1.057 425 T CA 0.987 63.086 62.100 -0.001 0.000 1.136 425 T CB -0.037 68.864 68.868 0.055 0.000 0.874 425 T HN 0.286 nan 8.240 nan 0.000 0.466 426 E N 0.953 121.151 120.200 -0.004 0.000 2.107 426 E HA 0.059 4.409 4.350 -0.001 0.000 0.191 426 E C 2.235 178.843 176.600 0.014 0.000 0.982 426 E CA 0.578 56.984 56.400 0.009 0.000 0.809 426 E CB -0.286 29.422 29.700 0.013 0.000 0.756 426 E HN 0.458 nan 8.360 nan 0.000 0.459 427 L N 0.418 121.646 121.223 0.009 0.000 2.156 427 L HA -0.078 4.261 4.340 -0.001 0.000 0.208 427 L C 2.287 179.166 176.870 0.015 0.000 1.095 427 L CA 0.541 55.394 54.840 0.021 0.000 0.770 427 L CB -0.201 41.868 42.059 0.018 0.000 0.914 427 L HN 0.062 nan 8.230 nan 0.000 0.439 428 L N -0.690 120.537 121.223 0.006 0.000 2.552 428 L HA -0.044 4.295 4.340 -0.001 0.000 0.227 428 L C 1.046 177.914 176.870 -0.003 0.000 1.146 428 L CA 0.307 55.150 54.840 0.005 0.000 0.858 428 L CB -0.443 41.620 42.059 0.007 0.000 0.969 428 L HN 0.155 nan 8.230 nan 0.000 0.451 429 K N 0.767 121.163 120.400 -0.005 0.000 2.219 429 K HA 0.277 4.597 4.320 -0.001 0.000 0.258 429 K C -0.141 176.444 176.600 -0.025 0.000 1.008 429 K CA 0.193 56.467 56.287 -0.022 0.000 0.928 429 K CB 0.749 33.237 32.500 -0.020 0.000 0.983 429 K HN 0.012 nan 8.250 nan 0.000 0.484 430 Q N -0.806 118.968 119.800 -0.044 0.000 2.594 430 Q HA 0.274 4.613 4.340 -0.001 0.000 0.278 430 Q C -0.945 175.017 176.000 -0.063 0.000 0.961 430 Q CA -0.550 55.229 55.803 -0.041 0.000 0.844 430 Q CB 1.845 30.561 28.738 -0.037 0.000 1.475 430 Q HN 0.823 nan 8.270 nan 0.000 0.389 431 G N 0.716 109.485 108.800 -0.052 0.000 2.510 431 G HA2 0.398 4.358 3.960 -0.001 0.000 0.280 431 G HA3 0.398 4.358 3.960 -0.001 0.000 0.280 431 G C -0.747 174.093 174.900 -0.100 0.000 1.386 431 G CA -0.157 44.906 45.100 -0.062 0.000 1.047 431 G HN 0.470 nan 8.290 nan 0.000 0.527 432 Q N -1.605 118.117 119.800 -0.129 0.000 2.226 432 Q HA 0.375 4.715 4.340 -0.001 0.000 0.256 432 Q C -0.749 175.112 176.000 -0.232 0.000 0.962 432 Q CA -0.669 54.919 55.803 -0.359 0.000 0.887 432 Q CB 1.531 29.892 28.738 -0.628 0.000 1.282 432 Q HN 0.539 nan 8.270 nan 0.000 0.449 433 Y N -1.425 118.869 120.300 -0.010 0.000 4.881 433 Y HA -0.260 4.290 4.550 -0.001 0.000 0.241 433 Y C 0.179 176.070 175.900 -0.014 0.000 0.985 433 Y CA 0.788 58.881 58.100 -0.013 0.000 1.976 433 Y CB -1.968 36.483 38.460 -0.015 0.000 1.528 433 Y HN 0.345 nan 8.280 nan 0.000 0.581 434 S N 0.389 116.128 115.700 0.065 0.000 2.143 434 S HA 0.362 4.832 4.470 -0.001 0.000 0.188 434 S C -2.407 172.197 174.600 0.007 0.000 1.431 434 S CA -0.975 57.248 58.200 0.039 0.000 1.253 434 S CB 0.565 63.783 63.200 0.030 0.000 1.137 434 S HN -0.016 nan 8.310 nan 0.000 0.457 435 P HA 0.056 nan 4.420 nan 0.000 0.261 435 P C -0.216 177.077 177.300 -0.012 0.000 1.183 435 P CA 0.492 63.590 63.100 -0.002 0.000 0.761 435 P CB 0.221 31.925 31.700 0.006 0.000 0.785 436 M N 2.094 121.688 119.600 -0.009 0.000 2.291 436 M HA 0.485 4.964 4.480 -0.001 0.000 0.324 436 M C 0.675 176.966 176.300 -0.015 0.000 1.148 436 M CA -0.718 54.572 55.300 -0.016 0.000 1.104 436 M CB 1.084 33.678 32.600 -0.009 0.000 1.483 436 M HN 0.270 nan 8.290 nan 0.000 0.467 437 A N 1.259 124.061 122.820 -0.030 0.000 2.340 437 A HA 0.283 4.602 4.320 -0.001 0.000 0.268 437 A C 0.910 178.495 177.584 0.003 0.000 1.100 437 A CA -0.542 51.480 52.037 -0.025 0.000 0.803 437 A CB 0.159 19.127 19.000 -0.054 0.000 1.043 437 A HN 0.933 nan 8.150 nan 0.000 0.488 438 I N 1.128 121.718 120.570 0.033 0.000 2.143 438 I HA -0.297 3.872 4.170 -0.001 0.000 0.245 438 I C 2.597 178.723 176.117 0.016 0.000 1.068 438 I CA 2.620 63.940 61.300 0.034 0.000 1.326 438 I CB -0.218 37.812 38.000 0.051 0.000 1.028 438 I HN 0.865 nan 8.210 nan 0.000 0.412 439 E N 0.152 120.353 120.200 0.002 0.000 2.204 439 E HA -0.281 4.068 4.350 -0.001 0.000 0.195 439 E C 1.890 178.478 176.600 -0.020 0.000 0.990 439 E CA 1.612 58.004 56.400 -0.014 0.000 0.821 439 E CB -0.670 29.011 29.700 -0.032 0.000 0.750 439 E HN 0.653 nan 8.360 nan 0.000 0.477 440 E N 0.889 121.074 120.200 -0.025 0.000 2.072 440 E HA -0.148 4.201 4.350 -0.001 0.000 0.191 440 E C 2.349 178.955 176.600 0.010 0.000 0.985 440 E CA 1.488 57.871 56.400 -0.029 0.000 0.801 440 E CB 0.030 29.706 29.700 -0.042 0.000 0.750 440 E HN 0.399 nan 8.360 nan 0.000 0.452 441 Q N 0.065 119.877 119.800 0.019 0.000 1.993 441 Q HA -0.156 4.183 4.340 -0.001 0.000 0.202 441 Q C 2.412 178.449 176.000 0.061 0.000 0.984 441 Q CA 1.672 57.497 55.803 0.037 0.000 0.837 441 Q CB -0.266 28.491 28.738 0.031 0.000 0.902 441 Q HN 0.186 nan 8.270 nan 0.000 0.423 442 V N 1.667 121.614 119.914 0.054 0.000 2.282 442 V HA -0.346 3.773 4.120 -0.001 0.000 0.249 442 V C 2.424 178.591 176.094 0.122 0.000 1.057 442 V CA 1.960 64.308 62.300 0.079 0.000 1.032 442 V CB -1.290 30.562 31.823 0.049 0.000 0.645 442 V HN 0.437 nan 8.190 nan 0.000 0.447 443 A N 0.510 123.384 122.820 0.091 0.000 1.859 443 A HA -0.212 4.108 4.320 -0.001 0.000 0.217 443 A C 2.492 180.270 177.584 0.324 0.000 1.198 443 A CA 2.802 54.939 52.037 0.167 0.000 0.629 443 A CB -0.982 18.067 19.000 0.081 0.000 0.830 443 A HN 0.738 nan 8.150 nan 0.000 0.446 444 V N -0.841 119.224 119.914 0.251 0.000 2.358 444 V HA -0.168 3.951 4.120 -0.001 0.000 0.246 444 V C 2.127 178.305 176.094 0.141 0.000 1.047 444 V CA 1.933 64.353 62.300 0.201 0.000 1.035 444 V CB -0.781 31.128 31.823 0.142 0.000 0.658 444 V HN 0.449 nan 8.190 nan 0.000 0.452 445 I N -0.126 120.518 120.570 0.125 0.000 2.226 445 I HA -0.185 3.984 4.170 -0.001 0.000 0.245 445 I C 2.568 178.736 176.117 0.085 0.000 1.100 445 I CA 2.370 63.718 61.300 0.080 0.000 1.374 445 I CB -1.778 36.261 38.000 0.064 0.000 1.057 445 I HN 0.511 nan 8.210 nan 0.000 0.413 446 Y N 2.489 122.810 120.300 0.036 0.000 2.030 446 Y HA -0.374 4.175 4.550 -0.001 0.000 0.272 446 Y C 2.730 178.657 175.900 0.045 0.000 1.185 446 Y CA 2.476 60.604 58.100 0.047 0.000 1.120 446 Y CB -0.531 37.984 38.460 0.092 0.000 0.955 446 Y HN 0.144 nan 8.280 nan 0.000 0.495 447 A N 0.047 122.990 122.820 0.204 0.000 1.927 447 A HA -0.226 4.093 4.320 -0.001 0.000 0.220 447 A C 2.468 180.008 177.584 -0.074 0.000 1.185 447 A CA 2.280 54.373 52.037 0.092 0.000 0.639 447 A CB -1.784 17.206 19.000 -0.017 0.000 0.820 447 A HN 0.678 nan 8.150 nan 0.000 0.451 448 G N -1.132 107.617 108.800 -0.084 0.000 2.404 448 G HA2 -0.012 3.948 3.960 -0.001 0.000 0.213 448 G HA3 -0.012 3.948 3.960 -0.001 0.000 0.213 448 G C 1.464 176.243 174.900 -0.201 0.000 1.189 448 G CA 0.963 45.984 45.100 -0.132 0.000 0.796 448 G HN 0.322 nan 8.290 nan 0.000 0.532 449 V N 1.017 120.815 119.914 -0.193 0.000 2.568 449 V HA -0.100 4.020 4.120 -0.001 0.000 0.253 449 V C 2.697 178.599 176.094 -0.320 0.000 1.072 449 V CA 1.407 63.580 62.300 -0.211 0.000 1.084 449 V CB -0.376 31.356 31.823 -0.152 0.000 0.676 449 V HN 0.191 nan 8.190 nan 0.000 0.469 450 R N -0.351 119.850 120.500 -0.498 0.000 2.310 450 R HA 0.218 4.557 4.340 -0.001 0.000 0.202 450 R C 1.820 177.634 176.300 -0.810 0.000 0.933 450 R CA 0.707 56.364 56.100 -0.737 0.000 1.054 450 R CB -0.317 29.311 30.300 -1.120 0.000 0.985 450 R HN 0.571 nan 8.270 nan 0.000 0.489 451 G N 0.340 108.812 108.800 -0.548 0.000 2.199 451 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.254 451 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.254 451 G C 0.555 175.234 174.900 -0.368 0.000 0.982 451 G CA 0.384 45.240 45.100 -0.407 0.000 0.632 451 G HN 0.330 nan 8.290 nan 0.000 0.529 452 Y N 0.372 120.572 120.300 -0.168 0.000 2.465 452 Y HA 0.176 4.725 4.550 -0.001 0.000 0.289 452 Y C 2.635 178.417 175.900 -0.196 0.000 1.150 452 Y CA 1.327 59.336 58.100 -0.151 0.000 1.293 452 Y CB -0.289 38.095 38.460 -0.127 0.000 0.977 452 Y HN 0.408 nan 8.280 nan 0.000 0.556 453 L N -0.701 120.441 121.223 -0.134 0.000 2.640 453 L HA 0.090 4.429 4.340 -0.001 0.000 0.230 453 L C 0.866 177.644 176.870 -0.153 0.000 1.123 453 L CA 0.031 54.749 54.840 -0.203 0.000 0.900 453 L CB -0.079 41.827 42.059 -0.254 0.000 1.146 453 L HN -0.031 nan 8.230 nan 0.000 0.484 454 D N 1.127 121.448 120.400 -0.131 0.000 2.354 454 D HA -0.139 4.500 4.640 -0.001 0.000 0.216 454 D C 1.648 177.900 176.300 -0.081 0.000 0.970 454 D CA 1.200 55.135 54.000 -0.108 0.000 0.905 454 D CB 0.151 40.886 40.800 -0.109 0.000 0.903 454 D HN 0.271 nan 8.370 nan 0.000 0.508 455 K N -0.562 119.793 120.400 -0.076 0.000 2.374 455 K HA 0.132 4.451 4.320 -0.001 0.000 0.202 455 K C 0.297 176.865 176.600 -0.054 0.000 1.040 455 K CA -0.455 55.800 56.287 -0.053 0.000 1.085 455 K CB 0.918 33.396 32.500 -0.037 0.000 0.873 455 K HN 0.009 nan 8.250 nan 0.000 0.539 456 L N 1.503 122.677 121.223 -0.082 0.000 2.456 456 L HA 0.170 4.509 4.340 -0.001 0.000 0.257 456 L C -0.093 176.753 176.870 -0.040 0.000 1.162 456 L CA 0.064 54.862 54.840 -0.070 0.000 0.808 456 L CB 0.874 42.845 42.059 -0.147 0.000 1.136 456 L HN -0.035 nan 8.230 nan 0.000 0.466 457 E N 3.589 123.786 120.200 -0.006 0.000 2.229 457 E HA 0.185 4.535 4.350 -0.001 0.000 0.283 457 E C -1.861 174.747 176.600 0.013 0.000 1.030 457 E CA -1.784 54.619 56.400 0.004 0.000 0.836 457 E CB 1.409 31.118 29.700 0.016 0.000 1.068 457 E HN 0.496 nan 8.360 nan 0.000 0.401 458 P HA -0.307 nan 4.420 nan 0.000 0.219 458 P C 1.215 178.535 177.300 0.034 0.000 1.161 458 P CA 2.063 65.170 63.100 0.011 0.000 0.909 458 P CB 0.070 31.777 31.700 0.011 0.000 0.793 459 S N -1.282 114.441 115.700 0.039 0.000 2.420 459 S HA -0.178 4.292 4.470 -0.001 0.000 0.237 459 S C 1.728 176.377 174.600 0.082 0.000 1.023 459 S CA 1.139 59.370 58.200 0.052 0.000 0.991 459 S CB -0.825 62.400 63.200 0.043 0.000 0.792 459 S HN 0.123 nan 8.310 nan 0.000 0.488 460 K N 1.606 122.065 120.400 0.099 0.000 2.076 460 K HA 0.223 4.542 4.320 -0.001 0.000 0.204 460 K C 2.072 178.804 176.600 0.219 0.000 1.051 460 K CA 0.755 57.150 56.287 0.180 0.000 0.949 460 K CB -0.807 31.811 32.500 0.197 0.000 0.726 460 K HN 0.449 nan 8.250 nan 0.000 0.443 461 I N 1.198 121.853 120.570 0.142 0.000 2.161 461 I HA -0.404 3.765 4.170 -0.001 0.000 0.246 461 I C 2.143 178.370 176.117 0.184 0.000 1.048 461 I CA 1.803 63.190 61.300 0.144 0.000 1.314 461 I CB -1.003 37.034 38.000 0.062 0.000 1.014 461 I HN 0.170 nan 8.210 nan 0.000 0.418 462 T N 0.185 114.819 114.554 0.134 0.000 2.708 462 T HA -0.209 4.141 4.350 -0.001 0.000 0.266 462 T C 1.989 176.768 174.700 0.132 0.000 1.037 462 T CA 1.484 63.649 62.100 0.108 0.000 1.146 462 T CB -0.158 68.755 68.868 0.075 0.000 0.865 462 T HN 0.295 nan 8.240 nan 0.000 0.435 463 K N -0.141 120.370 120.400 0.185 0.000 2.057 463 K HA -0.096 4.223 4.320 -0.001 0.000 0.207 463 K C 2.088 178.834 176.600 0.244 0.000 1.049 463 K CA 1.250 57.679 56.287 0.236 0.000 0.931 463 K CB -0.298 32.390 32.500 0.313 0.000 0.714 463 K HN 0.327 nan 8.250 nan 0.000 0.440 464 F N 2.232 122.215 119.950 0.054 0.000 2.069 464 F HA -0.226 4.301 4.527 -0.001 0.000 0.298 464 F C 2.245 177.966 175.800 -0.130 0.000 1.113 464 F CA 2.002 59.774 58.000 -0.379 0.000 1.214 464 F CB -0.442 38.310 39.000 -0.412 0.000 0.978 464 F HN 0.129 nan 8.300 nan 0.000 0.474 465 E N 0.122 120.256 120.200 -0.111 0.000 2.171 465 E HA -0.266 4.083 4.350 -0.001 0.000 0.197 465 E C 1.837 178.355 176.600 -0.136 0.000 0.997 465 E CA 1.519 57.824 56.400 -0.158 0.000 0.810 465 E CB -0.333 29.381 29.700 0.023 0.000 0.738 465 E HN 0.555 nan 8.360 nan 0.000 0.467 466 N N 0.103 118.767 118.700 -0.059 0.000 2.216 466 N HA -0.097 4.643 4.740 -0.001 0.000 0.183 466 N C 1.756 177.246 175.510 -0.032 0.000 1.017 466 N CA 0.992 54.028 53.050 -0.024 0.000 0.861 466 N CB -0.099 38.405 38.487 0.029 0.000 0.986 466 N HN 0.188 nan 8.380 nan 0.000 0.428 467 A N 1.341 124.155 122.820 -0.011 0.000 1.841 467 A HA -0.128 4.191 4.320 -0.001 0.000 0.214 467 A C 2.064 179.627 177.584 -0.034 0.000 1.195 467 A CA 0.903 53.017 52.037 0.128 0.000 0.611 467 A CB -1.058 18.136 19.000 0.325 0.000 0.835 467 A HN 0.245 nan 8.150 nan 0.000 0.443 468 F N 0.250 119.813 119.950 -0.645 0.000 2.043 468 F HA -0.203 4.323 4.527 -0.001 0.000 0.297 468 F C 1.902 177.325 175.800 -0.629 0.000 1.121 468 F CA 1.928 59.242 58.000 -1.144 0.000 1.199 468 F CB -0.547 37.639 39.000 -1.356 0.000 0.968 468 F HN 0.162 nan 8.300 nan 0.000 0.478 469 L N 0.128 121.091 121.223 -0.433 0.000 2.129 469 L HA -0.220 4.120 4.340 -0.001 0.000 0.212 469 L C 2.548 179.223 176.870 -0.325 0.000 1.087 469 L CA 1.854 56.464 54.840 -0.384 0.000 0.757 469 L CB -1.416 40.543 42.059 -0.166 0.000 0.896 469 L HN 0.196 nan 8.230 nan 0.000 0.434 470 S N -1.764 113.805 115.700 -0.218 0.000 2.348 470 S HA -0.251 4.218 4.470 -0.001 0.000 0.221 470 S C 1.872 176.404 174.600 -0.113 0.000 1.033 470 S CA 1.319 59.453 58.200 -0.109 0.000 1.010 470 S CB -0.426 62.770 63.200 -0.007 0.000 0.891 470 S HN 0.660 nan 8.310 nan 0.000 0.442 471 H N 2.151 121.051 119.070 -0.283 0.000 2.254 471 H HA -0.119 4.437 4.556 -0.001 0.000 0.294 471 H C 2.201 177.367 175.328 -0.270 0.000 1.071 471 H CA 2.487 58.385 56.048 -0.251 0.000 1.228 471 H CB -0.940 28.570 29.762 -0.420 0.000 1.358 471 H HN 0.196 nan 8.280 nan 0.000 0.495 472 V N -0.592 118.902 119.914 -0.699 0.000 2.380 472 V HA -0.222 3.897 4.120 -0.001 0.000 0.251 472 V C 2.566 178.470 176.094 -0.317 0.000 1.063 472 V CA 2.223 64.157 62.300 -0.610 0.000 1.055 472 V CB -1.009 30.345 31.823 -0.782 0.000 0.657 472 V HN 0.486 nan 8.190 nan 0.000 0.455 473 I N 1.387 121.794 120.570 -0.272 0.000 2.226 473 I HA -0.204 3.965 4.170 -0.001 0.000 0.245 473 I C 2.932 178.973 176.117 -0.126 0.000 1.100 473 I CA 2.069 63.266 61.300 -0.171 0.000 1.374 473 I CB -0.428 37.485 38.000 -0.144 0.000 1.057 473 I HN 0.590 nan 8.210 nan 0.000 0.413 474 S N 0.061 115.693 115.700 -0.112 0.000 2.317 474 S HA -0.155 4.314 4.470 -0.001 0.000 0.212 474 S C 1.934 176.481 174.600 -0.090 0.000 1.030 474 S CA 0.880 59.036 58.200 -0.073 0.000 0.970 474 S CB -0.303 62.881 63.200 -0.026 0.000 0.928 474 S HN 0.356 nan 8.310 nan 0.000 0.451 475 Q N 0.247 119.987 119.800 -0.100 0.000 1.858 475 Q HA -0.064 4.275 4.340 -0.001 0.000 0.224 475 Q C 1.391 177.217 176.000 -0.289 0.000 0.980 475 Q CA 1.530 57.225 55.803 -0.179 0.000 0.868 475 Q CB -0.617 28.024 28.738 -0.161 0.000 0.920 475 Q HN 0.755 nan 8.270 nan 0.000 0.427 476 H N 1.693 120.585 119.070 -0.297 0.000 3.543 476 H HA -0.039 4.516 4.556 -0.001 0.000 0.270 476 H C 1.086 176.297 175.328 -0.195 0.000 1.056 476 H CA 0.333 56.234 56.048 -0.245 0.000 1.232 476 H CB -0.716 28.854 29.762 -0.319 0.000 1.294 476 H HN 0.345 nan 8.280 nan 0.000 0.729 477 Q N -0.475 119.265 119.800 -0.100 0.000 2.561 477 Q HA -0.022 4.318 4.340 -0.001 0.000 0.217 477 Q C 1.915 177.871 176.000 -0.073 0.000 0.980 477 Q CA 0.764 56.514 55.803 -0.087 0.000 0.927 477 Q CB 0.135 28.822 28.738 -0.084 0.000 0.980 477 Q HN 0.574 nan 8.270 nan 0.000 0.525 478 A N 1.202 123.978 122.820 -0.074 0.000 1.970 478 A HA 0.005 4.324 4.320 -0.001 0.000 0.216 478 A C 1.929 179.486 177.584 -0.046 0.000 1.170 478 A CA 0.405 52.406 52.037 -0.060 0.000 0.645 478 A CB -0.257 18.703 19.000 -0.067 0.000 0.816 478 A HN 0.418 nan 8.150 nan 0.000 0.447 479 L N -0.572 120.627 121.223 -0.039 0.000 2.209 479 L HA 0.036 4.375 4.340 -0.001 0.000 0.207 479 L C 2.227 179.059 176.870 -0.064 0.000 1.094 479 L CA 0.616 55.429 54.840 -0.045 0.000 0.790 479 L CB -0.134 41.901 42.059 -0.042 0.000 0.932 479 L HN 0.385 nan 8.230 nan 0.000 0.447 480 L N -0.560 120.620 121.223 -0.072 0.000 2.044 480 L HA -0.137 4.202 4.340 -0.001 0.000 0.205 480 L C 2.970 179.807 176.870 -0.056 0.000 1.075 480 L CA 1.365 56.159 54.840 -0.076 0.000 0.747 480 L CB -0.927 41.075 42.059 -0.094 0.000 0.903 480 L HN 0.321 nan 8.230 nan 0.000 0.435 481 S N -0.183 115.486 115.700 -0.052 0.000 2.442 481 S HA -0.204 4.265 4.470 -0.001 0.000 0.236 481 S C 2.183 176.764 174.600 -0.032 0.000 1.007 481 S CA 1.386 59.562 58.200 -0.040 0.000 0.965 481 S CB -0.200 nan 63.200 nan 0.000 0.773 481 S HN 0.237 nan 8.310 nan 0.000 0.504 482 K N 0.104 120.484 120.400 -0.034 0.000 2.067 482 K HA 0.194 4.513 4.320 -0.001 0.000 0.203 482 K C 1.856 178.441 176.600 -0.025 0.000 1.048 482 K CA 0.639 56.909 56.287 -0.028 0.000 0.954 482 K CB -0.191 32.292 32.500 -0.029 0.000 0.737 482 K HN 0.473 nan 8.250 nan 0.000 0.444 483 I N 0.879 121.430 120.570 -0.033 0.000 2.179 483 I HA -0.314 3.855 4.170 -0.001 0.000 0.242 483 I C 2.718 178.824 176.117 -0.018 0.000 1.088 483 I CA 1.171 62.453 61.300 -0.030 0.000 1.357 483 I CB -0.207 37.766 38.000 -0.045 0.000 1.051 483 I HN 0.202 nan 8.210 nan 0.000 0.409 484 R N 0.199 120.688 120.500 -0.019 0.000 2.070 484 R HA -0.166 4.173 4.340 -0.001 0.000 0.233 484 R C 2.281 178.580 176.300 -0.002 0.000 1.137 484 R CA 2.221 58.316 56.100 -0.008 0.000 0.945 484 R CB -0.345 29.947 30.300 -0.012 0.000 0.845 484 R HN 0.229 nan 8.270 nan 0.000 0.430 485 T N 0.942 115.492 114.554 -0.007 0.000 2.612 485 T HA -0.106 4.243 4.350 -0.001 0.000 0.259 485 T C 1.170 175.868 174.700 -0.004 0.000 1.065 485 T CA 1.644 63.742 62.100 -0.005 0.000 1.167 485 T CB -0.492 68.370 68.868 -0.009 0.000 0.863 485 T HN 0.317 nan 8.240 nan 0.000 0.407 486 D N 0.376 120.772 120.400 -0.007 0.000 2.203 486 D HA -0.043 4.596 4.640 -0.001 0.000 0.199 486 D C 1.700 177.999 176.300 -0.002 0.000 0.997 486 D CA 1.548 55.545 54.000 -0.005 0.000 0.863 486 D CB -0.656 40.140 40.800 -0.006 0.000 0.928 486 D HN 0.601 nan 8.370 nan 0.000 0.458 487 G N -0.359 108.440 108.800 -0.002 0.000 2.184 487 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.264 487 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.264 487 G C 0.539 175.441 174.900 0.002 0.000 0.975 487 G CA 0.767 45.867 45.100 0.001 0.000 0.642 487 G HN 0.508 nan 8.290 nan 0.000 0.536 488 K N -0.476 119.925 120.400 0.001 0.000 2.349 488 K HA 0.787 5.107 4.320 -0.001 0.000 0.243 488 K C -0.761 175.840 176.600 0.002 0.000 1.058 488 K CA -1.174 55.117 56.287 0.006 0.000 0.871 488 K CB 1.170 33.674 32.500 0.006 0.000 1.337 488 K HN 0.081 nan 8.250 nan 0.000 0.469 489 I N 2.770 123.346 120.570 0.010 0.000 2.428 489 I HA 0.099 4.268 4.170 -0.001 0.000 0.279 489 I C 0.332 176.456 176.117 0.013 0.000 1.040 489 I CA -0.507 60.796 61.300 0.004 0.000 1.171 489 I CB 1.470 39.481 38.000 0.018 0.000 1.312 489 I HN 0.593 nan 8.210 nan 0.000 0.470 490 S N 3.550 119.251 115.700 0.003 0.000 2.617 490 S HA 0.130 4.599 4.470 -0.001 0.000 0.255 490 S C 0.956 175.566 174.600 0.016 0.000 1.318 490 S CA -0.430 57.775 58.200 0.008 0.000 0.978 490 S CB 0.830 64.031 63.200 0.001 0.000 0.961 490 S HN 0.571 nan 8.310 nan 0.000 0.582 491 E N 0.329 120.540 120.200 0.019 0.000 2.152 491 E HA -0.043 4.306 4.350 -0.001 0.000 0.192 491 E C 1.871 178.486 176.600 0.024 0.000 0.983 491 E CA 1.128 57.544 56.400 0.028 0.000 0.818 491 E CB -0.178 29.538 29.700 0.027 0.000 0.758 491 E HN 0.832 nan 8.360 nan 0.000 0.467 492 E N 0.160 120.368 120.200 0.013 0.000 2.112 492 E HA -0.057 4.292 4.350 -0.001 0.000 0.190 492 E C 1.729 178.328 176.600 -0.002 0.000 0.979 492 E CA 0.744 57.150 56.400 0.009 0.000 0.814 492 E CB 0.108 29.811 29.700 0.005 0.000 0.762 492 E HN 0.069 nan 8.360 nan 0.000 0.460 493 S N 0.757 116.449 115.700 -0.014 0.000 2.368 493 S HA -0.198 4.272 4.470 -0.001 0.000 0.225 493 S C 1.547 176.106 174.600 -0.069 0.000 1.030 493 S CA 1.563 59.737 58.200 -0.043 0.000 0.999 493 S CB -0.338 62.833 63.200 -0.049 0.000 0.844 493 S HN 0.396 nan 8.310 nan 0.000 0.459 494 D N 0.883 121.263 120.400 -0.032 0.000 2.182 494 D HA -0.047 4.593 4.640 -0.001 0.000 0.201 494 D C 1.764 178.088 176.300 0.040 0.000 0.986 494 D CA 1.170 55.169 54.000 -0.001 0.000 0.847 494 D CB -0.140 40.715 40.800 0.090 0.000 0.942 494 D HN 0.367 nan 8.370 nan 0.000 0.467 495 A N -0.261 122.578 122.820 0.032 0.000 1.935 495 A HA 0.013 4.332 4.320 -0.001 0.000 0.214 495 A C 2.073 179.668 177.584 0.018 0.000 1.178 495 A CA 1.106 53.169 52.037 0.043 0.000 0.640 495 A CB -0.362 18.660 19.000 0.038 0.000 0.825 495 A HN 0.067 nan 8.150 nan 0.000 0.447 496 K N 0.259 120.657 120.400 -0.004 0.000 2.097 496 K HA 0.060 4.379 4.320 -0.001 0.000 0.205 496 K C 1.686 178.264 176.600 -0.036 0.000 1.050 496 K CA 1.186 57.470 56.287 -0.005 0.000 0.938 496 K CB -0.579 31.921 32.500 -0.001 0.000 0.718 496 K HN 0.452 nan 8.250 nan 0.000 0.442 497 L N 0.456 121.625 121.223 -0.091 0.000 2.027 497 L HA -0.151 4.188 4.340 -0.001 0.000 0.206 497 L C 2.534 179.396 176.870 -0.013 0.000 1.074 497 L CA 1.607 56.359 54.840 -0.147 0.000 0.745 497 L CB -0.441 41.322 42.059 -0.494 0.000 0.898 497 L HN 0.256 nan 8.230 nan 0.000 0.433 498 K N 0.172 120.609 120.400 0.061 0.000 2.074 498 K HA -0.283 4.037 4.320 -0.001 0.000 0.209 498 K C 1.985 178.521 176.600 -0.108 0.000 1.048 498 K CA 1.867 58.160 56.287 0.009 0.000 0.926 498 K CB -0.081 32.467 32.500 0.080 0.000 0.713 498 K HN 0.283 nan 8.250 nan 0.000 0.444 499 E N 0.353 120.538 120.200 -0.025 0.000 2.031 499 E HA -0.201 4.148 4.350 -0.001 0.000 0.193 499 E C 2.082 178.701 176.600 0.031 0.000 0.994 499 E CA 1.690 58.090 56.400 -0.000 0.000 0.800 499 E CB -0.118 29.599 29.700 0.027 0.000 0.752 499 E HN 0.354 nan 8.360 nan 0.000 0.447 500 I N 0.627 121.220 120.570 0.039 0.000 2.099 500 I HA -0.287 3.882 4.170 -0.001 0.000 0.239 500 I C 2.710 178.956 176.117 0.216 0.000 1.066 500 I CA 1.341 62.696 61.300 0.091 0.000 1.324 500 I CB -0.704 37.248 38.000 -0.079 0.000 1.037 500 I HN 0.134 nan 8.210 nan 0.000 0.401 501 V N 0.666 120.695 119.914 0.191 0.000 2.233 501 V HA -0.319 3.800 4.120 -0.001 0.000 0.247 501 V C 2.556 178.705 176.094 0.091 0.000 1.050 501 V CA 2.821 65.215 62.300 0.156 0.000 1.010 501 V CB -1.538 30.271 31.823 -0.023 0.000 0.637 501 V HN 0.656 nan 8.190 nan 0.000 0.444 502 T N -0.728 113.765 114.554 -0.102 0.000 2.665 502 T HA -0.253 4.096 4.350 -0.001 0.000 0.268 502 T C 1.872 176.603 174.700 0.051 0.000 1.035 502 T CA 2.068 64.120 62.100 -0.081 0.000 1.151 502 T CB -0.914 67.853 68.868 -0.170 0.000 0.862 502 T HN 0.595 nan 8.240 nan 0.000 0.438 503 N N 0.669 119.425 118.700 0.093 0.000 2.109 503 N HA 0.035 4.774 4.740 -0.001 0.000 0.188 503 N C 1.572 177.194 175.510 0.187 0.000 1.034 503 N CA 1.080 54.202 53.050 0.120 0.000 0.846 503 N CB -0.612 37.944 38.487 0.116 0.000 1.010 503 N HN 0.443 nan 8.380 nan 0.000 0.425 504 F N 2.481 122.501 119.950 0.117 0.000 2.126 504 F HA -0.121 4.405 4.527 -0.001 0.000 0.299 504 F C 2.276 178.215 175.800 0.232 0.000 1.096 504 F CA 0.936 59.022 58.000 0.144 0.000 1.255 504 F CB -0.356 38.767 39.000 0.205 0.000 0.997 504 F HN -0.023 nan 8.300 nan 0.000 0.479 505 L N 0.282 121.782 121.223 0.461 0.000 2.013 505 L HA -0.270 4.070 4.340 -0.001 0.000 0.212 505 L C 2.551 179.534 176.870 0.188 0.000 1.073 505 L CA 2.189 57.222 54.840 0.321 0.000 0.753 505 L CB -1.447 40.679 42.059 0.111 0.000 0.890 505 L HN 0.354 nan 8.230 nan 0.000 0.432 506 A N -0.290 122.594 122.820 0.108 0.000 1.865 506 A HA -0.171 4.148 4.320 -0.001 0.000 0.217 506 A C 2.347 179.943 177.584 0.021 0.000 1.191 506 A CA 1.824 53.893 52.037 0.053 0.000 0.623 506 A CB -1.380 17.642 19.000 0.036 0.000 0.826 506 A HN 0.523 nan 8.150 nan 0.000 0.444 507 G N -1.624 107.170 108.800 -0.010 0.000 2.442 507 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.219 507 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.219 507 G C 1.457 176.300 174.900 -0.094 0.000 1.141 507 G CA 1.142 46.197 45.100 -0.075 0.000 0.763 507 G HN 0.479 nan 8.290 nan 0.000 0.554 508 F N 1.163 120.960 119.950 -0.255 0.000 2.171 508 F HA 0.071 4.597 4.527 -0.001 0.000 0.300 508 F C 2.155 177.910 175.800 -0.075 0.000 1.090 508 F CA 1.266 59.145 58.000 -0.201 0.000 1.293 508 F CB 0.206 39.150 39.000 -0.094 0.000 1.013 508 F HN 0.145 nan 8.300 nan 0.000 0.486 509 E N 0.943 121.150 120.200 0.013 0.000 2.311 509 E HA 0.226 4.575 4.350 -0.001 0.000 0.198 509 E C 0.573 177.117 176.600 -0.093 0.000 1.115 509 E CA -0.184 56.174 56.400 -0.070 0.000 1.140 509 E CB -0.137 29.576 29.700 0.022 0.000 1.204 509 E HN 0.352 nan 8.360 nan 0.000 0.446 510 A N 0.000 122.748 122.820 -0.120 0.000 2.254 510 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 510 A CA 0.000 51.981 52.037 -0.093 0.000 0.836 510 A CB 0.000 18.946 19.000 -0.091 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486