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 2w6h_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 2.370 122.773 120.400 0.004 0.000 2.412 20 D HA 0.214 4.853 4.640 -0.001 0.000 0.257 20 D C 1.021 177.324 176.300 0.004 0.000 1.217 20 D CA 1.471 55.474 54.000 0.004 0.000 0.897 20 D CB 0.768 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 -0.208 114.348 114.554 0.003 0.000 3.331 21 T HA 0.111 4.461 4.350 -0.001 0.000 0.282 21 T C 1.285 175.986 174.700 0.002 0.000 1.010 21 T CA -0.163 61.939 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 0.204 nan 8.240 nan 0.000 0.516 22 S N 0.307 116.008 115.700 0.002 0.000 2.470 22 S HA 0.121 4.590 4.470 -0.001 0.000 0.225 22 S C 0.912 175.513 174.600 0.000 0.000 1.006 22 S CA -0.084 58.117 58.200 0.001 0.000 0.934 22 S CB -0.184 63.017 63.200 0.002 0.000 0.778 22 S HN 0.354 nan 8.310 nan 0.000 0.517 23 V N 4.287 124.203 119.914 0.003 0.000 2.737 23 V HA 0.223 4.342 4.120 -0.001 0.000 0.320 23 V C -0.481 175.617 176.094 0.008 0.000 1.174 23 V CA -0.888 61.416 62.300 0.005 0.000 1.355 23 V CB -0.431 31.397 31.823 0.009 0.000 1.558 23 V HN 0.516 nan 8.190 nan 0.000 0.618 24 D N 0.616 121.018 120.400 0.004 0.000 2.362 24 D HA 0.085 4.725 4.640 -0.001 0.000 0.242 24 D C 0.786 177.087 176.300 0.001 0.000 1.132 24 D CA -0.511 53.492 54.000 0.004 0.000 0.907 24 D CB 1.883 42.683 40.800 -0.001 0.000 1.195 24 D HN 0.231 nan 8.370 nan 0.000 0.429 25 L N 0.569 121.794 121.223 0.003 0.000 2.718 25 L HA 0.057 4.396 4.340 -0.001 0.000 0.242 25 L C 1.434 178.283 176.870 -0.035 0.000 1.203 25 L CA 0.242 55.075 54.840 -0.012 0.000 1.011 25 L CB -0.466 41.589 42.059 -0.007 0.000 1.250 25 L HN 0.434 nan 8.230 nan 0.000 0.437 26 E N -0.393 119.791 120.200 -0.026 0.000 2.330 26 E HA -0.003 4.346 4.350 -0.001 0.000 0.200 26 E C 1.044 177.625 176.600 -0.032 0.000 0.922 26 E CA 0.248 56.629 56.400 -0.031 0.000 0.935 26 E CB 0.608 30.295 29.700 -0.022 0.000 0.917 26 E HN 0.342 nan 8.360 nan 0.000 0.491 27 E N 0.426 120.609 120.200 -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 1.456 31.142 29.700 -0.023 0.000 1.048 27 E HN 0.170 nan 8.360 nan 0.000 0.488 28 T N -2.497 112.035 114.554 -0.037 0.000 2.883 28 T HA 0.787 5.136 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 -0.563 61.512 62.100 -0.041 0.000 1.006 28 T CB 2.595 71.448 68.868 -0.025 0.000 1.191 28 T HN -0.008 nan 8.240 nan 0.000 0.508 29 G N 0.059 108.839 108.800 -0.033 0.000 2.721 29 G HA2 0.717 4.677 3.960 -0.001 0.000 0.296 29 G HA3 0.717 4.677 3.960 -0.001 0.000 0.296 29 G C -1.780 173.141 174.900 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 -0.876 175.489 176.300 0.107 0.000 0.998 30 R CA -0.755 55.397 56.100 0.086 0.000 0.895 30 R CB 2.693 33.036 30.300 0.073 0.000 1.195 30 R HN 0.339 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 1.611 177.753 176.094 0.080 0.000 1.003 31 V CA 0.665 63.040 62.300 0.124 0.000 1.120 31 V CB 0.184 32.098 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 4.420 4.340 -0.001 0.000 0.206 32 L C 0.967 177.855 176.870 0.029 0.000 1.087 32 L CA 1.079 55.945 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 -1.289 114.433 115.700 0.036 0.000 2.567 33 S HA 0.607 5.077 4.470 -0.001 0.000 0.270 33 S C -1.150 173.457 174.600 0.013 0.000 1.152 33 S CA -0.863 57.347 58.200 0.017 0.000 0.835 33 S CB 2.489 65.694 63.200 0.009 0.000 1.115 33 S HN -0.008 nan 8.310 nan 0.000 0.459 34 I N 0.069 120.634 120.570 -0.007 0.000 2.656 34 I HA 0.898 5.068 4.170 -0.001 0.000 0.292 34 I C -0.480 175.614 176.117 -0.038 0.000 1.144 34 I CA 0.196 61.477 61.300 -0.031 0.000 1.038 34 I CB 1.646 39.613 38.000 -0.055 0.000 1.244 34 I HN 1.385 nan 8.210 nan 0.000 0.420 35 G N 4.426 113.199 108.800 -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 -1.196 173.676 174.900 -0.047 0.000 1.471 35 G CA -0.493 44.582 45.100 -0.042 0.000 0.912 35 G HN 0.693 nan 8.290 nan 0.000 0.553 36 D N -0.046 120.327 120.400 -0.044 0.000 2.751 36 D HA -0.179 4.461 4.640 -0.001 0.000 0.233 36 D C 1.657 177.925 176.300 -0.052 0.000 1.149 36 D CA 2.885 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 -1.109 107.650 108.800 -0.069 0.000 2.148 37 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.254 37 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.254 37 G C 0.153 174.994 174.900 -0.098 0.000 0.981 37 G CA 0.311 45.358 45.100 -0.089 0.000 0.670 37 G HN 0.475 nan 8.290 nan 0.000 0.528 38 I N 0.870 121.392 120.570 -0.080 0.000 2.418 38 I HA 0.675 4.844 4.170 -0.001 0.000 0.287 38 I C 0.476 176.567 176.117 -0.043 0.000 1.008 38 I CA -1.066 60.196 61.300 -0.063 0.000 1.104 38 I CB 1.261 39.231 38.000 -0.050 0.000 1.264 38 I HN 0.306 nan 8.210 nan 0.000 0.438 39 A N 7.664 130.478 122.820 -0.010 0.000 2.301 39 A HA 0.695 5.014 4.320 -0.001 0.000 0.312 39 A C 0.026 177.651 177.584 0.069 0.000 1.182 39 A CA -0.683 51.382 52.037 0.048 0.000 0.826 39 A CB 0.773 19.880 19.000 0.179 0.000 1.134 39 A HN 0.576 nan 8.150 nan 0.000 0.501 40 R N 2.659 123.196 120.500 0.062 0.000 2.471 40 R HA 0.301 4.640 4.340 -0.001 0.000 0.292 40 R C -0.862 175.487 176.300 0.083 0.000 1.192 40 R CA -0.290 55.844 56.100 0.057 0.000 1.257 40 R CB 0.565 30.888 30.300 0.038 0.000 1.130 40 R HN 0.507 nan 8.270 nan 0.000 0.558 41 V N 3.044 123.010 119.914 0.088 0.000 2.555 41 V HA 0.040 4.159 4.120 -0.001 0.000 0.286 41 V C 0.600 176.744 176.094 0.083 0.000 1.044 41 V CA -0.387 61.966 62.300 0.087 0.000 1.026 41 V CB 0.628 32.475 31.823 0.040 0.000 0.981 41 V HN 0.583 nan 8.190 nan 0.000 0.480 42 H N 2.838 121.914 119.070 0.010 0.000 2.483 42 H HA 0.672 5.227 4.556 -0.001 0.000 0.338 42 H C 0.543 175.867 175.328 -0.006 0.000 1.152 42 H CA 0.963 57.012 56.048 0.003 0.000 1.264 42 H CB 1.327 31.092 29.762 0.006 0.000 1.510 42 H HN 1.007 nan 8.280 nan 0.000 0.530 43 G N 2.450 110.876 108.800 -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 44.606 45.100 -0.291 0.000 0.946 43 G HN 1.200 nan 8.290 nan 0.000 0.565 44 L N -0.198 120.967 121.223 -0.098 0.000 3.829 44 L HA -0.226 4.113 4.340 -0.001 0.000 0.440 44 L C 2.290 179.115 176.870 -0.074 0.000 1.192 44 L CA 0.815 55.608 54.840 -0.078 0.000 0.848 44 L CB -0.668 41.347 42.059 -0.074 0.000 1.744 44 L HN 0.614 nan 8.230 nan 0.000 0.920 45 R N 0.405 120.859 120.500 -0.077 0.000 2.159 45 R HA -0.073 4.266 4.340 -0.001 0.000 0.237 45 R C 1.290 177.564 176.300 -0.044 0.000 1.131 45 R CA 1.291 57.353 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 0.197 118.874 118.700 -0.038 0.000 2.214 46 N HA 0.033 4.772 4.740 -0.001 0.000 0.214 46 N C -0.007 175.488 175.510 -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 39.149 38.487 -0.022 0.000 1.020 46 N HN -0.048 nan 8.380 nan 0.000 0.509 47 V N -0.260 119.635 119.914 -0.030 0.000 3.051 47 V HA 0.161 4.280 4.120 -0.001 0.000 0.306 47 V C 0.446 176.531 176.094 -0.015 0.000 1.083 47 V CA -0.627 61.658 62.300 -0.025 0.000 1.104 47 V CB 0.575 32.381 31.823 -0.030 0.000 1.027 47 V HN 0.067 nan 8.190 nan 0.000 0.483 48 Q N 1.593 121.389 119.800 -0.007 0.000 2.257 48 Q HA 0.705 5.044 4.340 -0.001 0.000 0.262 48 Q C -0.027 175.976 176.000 0.005 0.000 0.997 48 Q CA -0.699 55.104 55.803 -0.000 0.000 0.873 48 Q CB 1.808 30.549 28.738 0.004 0.000 1.312 48 Q HN 1.066 nan 8.270 nan 0.000 0.450 49 A N 1.631 124.456 122.820 0.008 0.000 2.531 49 A HA -0.001 4.318 4.320 -0.001 0.000 0.236 49 A C 0.262 177.858 177.584 0.021 0.000 1.062 49 A CA 0.458 52.503 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 0.396 120.620 120.200 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 55.956 56.400 0.040 0.000 0.893 51 E CB 0.917 30.627 29.700 0.018 0.000 1.076 51 E HN 0.121 nan 8.360 nan 0.000 0.414 52 M N 3.881 123.524 119.600 0.072 0.000 2.249 52 M HA 0.268 4.747 4.480 -0.001 0.000 0.351 52 M C -0.863 175.461 176.300 0.039 0.000 1.180 52 M CA -0.543 54.819 55.300 0.103 0.000 1.127 52 M CB 1.066 33.747 32.600 0.135 0.000 1.546 52 M HN 0.407 nan 8.290 nan 0.000 0.461 53 V N 1.361 121.285 119.914 0.016 0.000 3.046 53 V HA 0.727 4.847 4.120 -0.001 0.000 0.316 53 V C -1.122 174.906 176.094 -0.110 0.000 1.104 53 V CA -0.788 61.458 62.300 -0.091 0.000 1.006 53 V CB 2.068 33.773 31.823 -0.196 0.000 1.058 53 V HN 0.914 nan 8.190 nan 0.000 0.440 54 E N 1.026 121.112 120.200 -0.191 0.000 2.256 54 E HA 0.603 4.952 4.350 -0.001 0.000 0.267 54 E C -1.799 174.615 176.600 -0.310 0.000 0.892 54 E CA -0.463 55.863 56.400 -0.123 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 0.706 120.675 119.950 0.031 0.000 2.399 55 F HA 0.113 4.640 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 -0.275 57.740 58.000 0.024 0.000 1.053 55 F CB 1.600 40.614 39.000 0.022 0.000 1.209 55 F HN 0.466 nan 8.300 nan 0.000 0.502 56 S N -0.080 115.734 115.700 0.189 0.000 2.389 56 S HA -0.258 4.211 4.470 -0.001 0.000 0.231 56 S C 1.692 176.358 174.600 0.110 0.000 1.052 56 S CA 1.771 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 0.682 nan 8.310 nan 0.000 0.456 57 S N 0.876 116.659 115.700 0.139 0.000 2.803 57 S HA 0.396 4.865 4.470 -0.001 0.000 0.226 57 S C 1.518 176.181 174.600 0.104 0.000 0.962 57 S CA 0.354 58.615 58.200 0.101 0.000 0.968 57 S CB -0.685 62.560 63.200 0.075 0.000 0.786 57 S HN 0.976 nan 8.310 nan 0.000 0.527 58 G N 0.173 109.045 108.800 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 -0.099 174.883 174.900 0.137 0.000 0.975 58 G CA 0.291 45.454 45.100 0.105 0.000 0.644 58 G HN 0.528 nan 8.290 nan 0.000 0.537 59 L N 0.943 122.279 121.223 0.188 0.000 2.319 59 L HA 0.581 4.920 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 -0.108 54.861 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 0.325 0.000 2.118 60 K HA 0.740 5.059 4.320 -0.001 0.000 0.267 60 K C -0.007 176.862 176.600 0.448 0.000 0.991 60 K CA -0.310 56.199 56.287 0.371 0.000 0.916 60 K CB 1.372 34.071 32.500 0.331 0.000 1.041 60 K HN 0.809 nan 8.250 nan 0.000 0.455 61 G N 0.897 109.915 108.800 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 -1.738 173.171 174.900 0.014 0.000 1.408 61 G CA -0.711 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 0.636 120.138 119.600 -0.163 0.000 2.326 62 M HA 0.517 4.996 4.480 -0.001 0.000 0.292 62 M C -0.778 175.513 176.300 -0.015 0.000 1.081 62 M CA -0.571 54.727 55.300 -0.004 0.000 0.919 62 M CB 2.167 34.804 32.600 0.062 0.000 1.634 62 M HN 0.415 nan 8.290 nan 0.000 0.451 63 S N 4.114 119.823 115.700 0.015 0.000 2.686 63 S HA 0.174 4.643 4.470 -0.001 0.000 0.324 63 S C 0.733 175.338 174.600 0.008 0.000 1.172 63 S CA -0.435 57.768 58.200 0.004 0.000 1.127 63 S CB -0.087 63.115 63.200 0.002 0.000 1.338 63 S HN 0.609 nan 8.310 nan 0.000 0.547 64 L N 3.870 125.092 121.223 -0.003 0.000 2.200 64 L HA 0.345 4.685 4.340 -0.001 0.000 0.200 64 L C 0.524 177.396 176.870 0.003 0.000 1.072 64 L CA 1.194 56.035 54.840 0.001 0.000 0.787 64 L CB -0.733 41.317 42.059 -0.015 0.000 0.957 64 L HN 0.368 nan 8.230 nan 0.000 0.459 65 N N 0.234 118.933 118.700 -0.003 0.000 2.457 65 N HA 0.384 5.123 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 0.050 53.100 53.050 -0.001 0.000 0.941 65 N CB 0.800 39.284 38.487 -0.004 0.000 1.120 65 N HN -0.025 nan 8.380 nan 0.000 0.505 66 L N 1.965 123.188 121.223 -0.001 0.000 2.287 66 L HA 0.390 4.730 4.340 -0.001 0.000 0.280 66 L C 0.478 177.344 176.870 -0.007 0.000 1.055 66 L CA -0.418 54.418 54.840 -0.007 0.000 0.863 66 L CB 0.421 42.476 42.059 -0.007 0.000 1.245 66 L HN 0.343 nan 8.230 nan 0.000 0.432 67 E N 3.227 123.423 120.200 -0.008 0.000 2.250 67 E HA 0.262 4.611 4.350 -0.001 0.000 0.265 67 E C -1.506 175.088 176.600 -0.011 0.000 1.033 67 E CA -1.706 54.691 56.400 -0.006 0.000 0.888 67 E CB 1.231 30.930 29.700 -0.001 0.000 1.151 67 E HN 0.247 nan 8.360 nan 0.000 0.412 68 P HA -0.226 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 1.577 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 -1.970 118.429 120.400 -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 -0.129 53.875 54.000 0.006 0.000 0.835 69 D CB -0.453 40.370 40.800 0.038 0.000 0.965 69 D HN 0.385 nan 8.370 nan 0.000 0.505 70 N N -1.604 117.092 118.700 -0.007 0.000 3.046 70 N HA 0.363 5.102 4.740 -0.001 0.000 0.243 70 N C -1.966 173.538 175.510 -0.011 0.000 1.452 70 N CA -0.969 52.081 53.050 0.001 0.000 0.882 70 N CB 1.661 40.170 38.487 0.037 0.000 1.425 70 N HN -0.214 nan 8.380 nan 0.000 0.517 71 V N -0.077 119.834 119.914 -0.006 0.000 2.409 71 V HA 0.749 4.868 4.120 -0.001 0.000 0.291 71 V C 0.524 176.623 176.094 0.009 0.000 1.020 71 V CA -0.655 61.641 62.300 -0.007 0.000 0.848 71 V CB 1.215 33.026 31.823 -0.019 0.000 0.990 71 V HN 0.887 nan 8.190 nan 0.000 0.430 72 G N 3.802 112.604 108.800 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 -0.602 174.301 174.900 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 3.819 123.749 119.914 0.027 0.000 2.398 73 V HA 0.237 4.356 4.120 -0.001 0.000 0.286 73 V C 0.293 176.379 176.094 -0.012 0.000 1.026 73 V CA -0.746 61.576 62.300 0.036 0.000 0.868 73 V CB 1.657 33.571 31.823 0.150 0.000 0.982 73 V HN 0.476 nan 8.190 nan 0.000 0.443 74 V N 6.013 125.868 119.914 -0.099 0.000 2.498 74 V HA 0.285 4.404 4.120 -0.001 0.000 0.279 74 V C 0.066 175.972 176.094 -0.313 0.000 1.048 74 V CA -0.214 61.967 62.300 -0.198 0.000 0.967 74 V CB 1.835 33.526 31.823 -0.221 0.000 0.988 74 V HN 0.634 nan 8.190 nan 0.000 0.473 75 V N 6.039 125.791 119.914 -0.270 0.000 2.370 75 V HA 0.331 4.451 4.120 -0.001 0.000 0.279 75 V C -0.092 175.877 176.094 -0.208 0.000 1.029 75 V CA -0.461 61.685 62.300 -0.257 0.000 0.870 75 V CB 1.130 32.802 31.823 -0.253 0.000 0.984 75 V HN 0.694 nan 8.190 nan 0.000 0.451 76 F N 4.495 124.488 119.950 0.071 0.000 2.666 76 F HA 0.606 5.132 4.527 -0.001 0.000 0.362 76 F C 1.170 176.996 175.800 0.042 0.000 1.190 76 F CA 0.119 58.161 58.000 0.071 0.000 1.328 76 F CB -0.266 38.788 39.000 0.091 0.000 1.682 76 F HN 0.725 nan 8.300 nan 0.000 0.623 77 G N 0.237 109.120 108.800 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 -1.469 173.438 174.900 0.011 0.000 1.295 77 G CA -1.278 43.869 45.100 0.080 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 0.064 4.803 4.740 -0.001 0.000 0.269 78 N C 1.186 176.657 175.510 -0.065 0.000 1.235 78 N CA 0.506 53.543 53.050 -0.022 0.000 0.934 78 N CB 0.732 39.213 38.487 -0.009 0.000 1.121 78 N HN 0.601 nan 8.380 nan 0.000 0.480 79 D N 3.318 123.664 120.400 -0.089 0.000 2.392 79 D HA -0.178 4.461 4.640 -0.001 0.000 0.228 79 D C 1.107 177.345 176.300 -0.102 0.000 1.003 79 D CA 0.381 54.298 54.000 -0.139 0.000 0.917 79 D CB 0.090 40.803 40.800 -0.146 0.000 0.890 79 D HN 0.705 nan 8.370 nan 0.000 0.532 80 K N 1.101 121.463 120.400 -0.064 0.000 2.211 80 K HA -0.108 4.212 4.320 -0.001 0.000 0.203 80 K C 1.854 178.428 176.600 -0.043 0.000 1.050 80 K CA 0.609 56.869 56.287 -0.044 0.000 0.945 80 K CB -0.353 32.132 32.500 -0.026 0.000 0.732 80 K HN 0.197 nan 8.250 nan 0.000 0.451 81 L N 1.233 122.426 121.223 -0.051 0.000 2.591 81 L HA 0.252 4.591 4.340 -0.001 0.000 0.228 81 L C 0.461 177.303 176.870 -0.046 0.000 1.133 81 L CA -0.101 54.718 54.840 -0.035 0.000 0.880 81 L CB -0.096 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 0.177 120.694 120.570 -0.090 0.000 2.377 82 I HA 0.286 4.455 4.170 -0.001 0.000 0.293 82 I C -0.140 175.949 176.117 -0.047 0.000 0.987 82 I CA -0.257 60.985 61.300 -0.097 0.000 1.185 82 I CB 1.393 39.231 38.000 -0.269 0.000 1.341 82 I HN 0.020 nan 8.210 nan 0.000 0.455 83 K N 4.427 124.826 120.400 -0.001 0.000 2.444 83 K HA 0.405 4.724 4.320 -0.001 0.000 0.252 83 K C -0.823 175.792 176.600 0.026 0.000 0.993 83 K CA -1.014 55.276 56.287 0.005 0.000 0.847 83 K CB 2.010 34.516 32.500 0.009 0.000 1.340 83 K HN 0.518 nan 8.250 nan 0.000 0.446 84 E N 0.211 120.422 120.200 0.017 0.000 2.442 84 E HA -0.015 4.334 4.350 -0.001 0.000 0.262 84 E C 0.532 177.150 176.600 0.030 0.000 1.004 84 E CA 1.435 57.850 56.400 0.024 0.000 0.928 84 E CB 0.120 29.826 29.700 0.010 0.000 0.937 84 E HN 0.752 nan 8.360 nan 0.000 0.446 85 G N 3.895 112.718 108.800 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 -0.061 174.872 174.900 0.054 0.000 1.021 85 G CA 0.098 45.219 45.100 0.035 0.000 0.619 85 G HN 0.686 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 0.663 177.018 176.300 0.091 0.000 1.177 86 D CA 0.250 54.310 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 0.286 nan 8.370 nan 0.000 0.464 87 I N 1.408 122.017 120.570 0.066 0.000 2.428 87 I HA 0.135 4.304 4.170 -0.001 0.000 0.289 87 I C -0.393 175.709 176.117 -0.024 0.000 1.019 87 I CA -0.185 61.130 61.300 0.023 0.000 1.351 87 I CB 1.280 39.288 38.000 0.013 0.000 1.412 87 I HN 0.016 nan 8.210 nan 0.000 0.513 88 V N 6.772 126.626 119.914 -0.101 0.000 2.540 88 V HA 0.502 4.621 4.120 -0.001 0.000 0.302 88 V C -0.294 175.686 176.094 -0.190 0.000 1.035 88 V CA -1.017 61.111 62.300 -0.286 0.000 0.873 88 V CB 1.618 33.180 31.823 -0.435 0.000 0.992 88 V HN 0.554 nan 8.190 nan 0.000 0.428 89 K N 3.672 123.955 120.400 -0.195 0.000 2.270 89 K HA 0.627 4.946 4.320 -0.001 0.000 0.255 89 K C -0.265 176.270 176.600 -0.109 0.000 0.936 89 K CA -0.870 55.348 56.287 -0.114 0.000 0.809 89 K CB 2.607 35.064 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 0.072 4.411 4.340 -0.001 0.000 0.279 90 R C 0.633 176.911 176.300 -0.037 0.000 1.076 90 R CA 0.145 56.211 56.100 -0.056 0.000 1.203 90 R CB 0.223 30.500 30.300 -0.039 0.000 1.137 90 R HN 0.568 nan 8.270 nan 0.000 0.541 91 T N -0.994 113.548 114.554 -0.020 0.000 2.969 91 T HA 0.169 4.519 4.350 -0.001 0.000 0.258 91 T C 1.011 175.710 174.700 -0.001 0.000 0.962 91 T CA 0.397 62.494 62.100 -0.006 0.000 0.903 91 T CB 0.705 69.578 68.868 0.008 0.000 1.177 91 T HN 0.895 nan 8.240 nan 0.000 0.511 92 G N 1.890 110.688 108.800 -0.004 0.000 2.189 92 G HA2 -0.150 3.810 3.960 -0.001 0.000 0.267 92 G HA3 -0.150 3.810 3.960 -0.001 0.000 0.267 92 G C 0.204 175.107 174.900 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 0.690 123.517 122.820 0.011 0.000 2.318 93 A HA 0.751 5.071 4.320 -0.001 0.000 0.324 93 A C 0.421 178.021 177.584 0.026 0.000 1.170 93 A CA -0.722 51.324 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 2.629 123.213 120.570 0.024 0.000 2.648 94 I HA 0.023 4.192 4.170 -0.001 0.000 0.284 94 I C 0.611 176.750 176.117 0.036 0.000 1.153 94 I CA 0.094 61.413 61.300 0.031 0.000 1.426 94 I CB 0.762 38.776 38.000 0.023 0.000 1.381 94 I HN 0.382 nan 8.210 nan 0.000 0.571 95 V N 6.803 126.750 119.914 0.055 0.000 2.678 95 V HA -0.139 3.980 4.120 -0.001 0.000 0.304 95 V C 0.283 176.387 176.094 0.017 0.000 1.086 95 V CA 0.623 62.955 62.300 0.052 0.000 1.246 95 V CB -0.541 31.336 31.823 0.090 0.000 0.861 95 V HN 0.973 nan 8.190 nan 0.000 0.491 96 D N 3.511 123.912 120.400 0.001 0.000 2.812 96 D HA 0.794 5.433 4.640 -0.001 0.000 0.318 96 D C -0.645 175.641 176.300 -0.024 0.000 1.234 96 D CA -0.343 53.654 54.000 -0.006 0.000 0.989 96 D CB 2.061 42.862 40.800 0.002 0.000 1.442 96 D HN 0.667 nan 8.370 nan 0.000 0.537 97 V N -6.115 113.787 119.914 -0.019 0.000 3.225 97 V HA 0.626 4.746 4.120 -0.001 0.000 0.293 97 V C -3.009 173.067 176.094 -0.030 0.000 1.405 97 V CA -2.009 60.273 62.300 -0.030 0.000 1.038 97 V CB 1.360 33.163 31.823 -0.032 0.000 1.123 97 V HN 0.575 nan 8.190 nan 0.000 0.447 98 P HA 0.270 nan 4.420 nan 0.000 0.266 98 P C -0.608 176.645 177.300 -0.078 0.000 1.186 98 P CA 0.402 63.467 63.100 -0.058 0.000 0.767 98 P CB 0.787 32.453 31.700 -0.057 0.000 0.820 99 V N 1.201 121.034 119.914 -0.135 0.000 3.147 99 V HA 0.826 4.945 4.120 -0.001 0.000 0.306 99 V C 0.151 175.944 176.094 -0.502 0.000 1.209 99 V CA 0.451 62.622 62.300 -0.215 0.000 1.023 99 V CB 2.125 33.887 31.823 -0.102 0.000 1.059 99 V HN 1.038 nan 8.190 nan 0.000 0.435 100 G N 2.556 110.804 108.800 -0.921 0.000 2.423 100 G HA2 -0.050 3.909 3.960 -0.001 0.000 0.684 100 G HA3 -0.050 3.909 3.960 -0.001 0.000 0.684 100 G C 0.040 174.465 174.900 -0.792 0.000 1.309 100 G CA 0.160 44.336 45.100 -1.540 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 -0.083 4.266 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 1.777 58.047 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 -0.088 120.022 120.200 -0.152 0.000 2.153 102 E HA -0.165 4.184 4.350 -0.001 0.000 0.194 102 E C 1.697 178.269 176.600 -0.047 0.000 0.988 102 E CA 0.718 57.068 56.400 -0.083 0.000 0.811 102 E CB -0.051 29.595 29.700 -0.090 0.000 0.746 102 E HN 0.277 nan 8.360 nan 0.000 0.466 103 L N 0.261 121.452 121.223 -0.053 0.000 2.217 103 L HA -0.028 4.311 4.340 -0.001 0.000 0.211 103 L C 0.533 177.422 176.870 0.031 0.000 1.107 103 L CA 0.076 54.911 54.840 -0.009 0.000 0.783 103 L CB -0.500 41.554 42.059 -0.008 0.000 0.919 103 L HN 0.075 nan 8.230 nan 0.000 0.442 104 L N 0.526 121.787 121.223 0.064 0.000 2.573 104 L HA -0.003 4.336 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 0.761 55.653 54.840 0.086 0.000 0.876 104 L CB -0.516 41.626 42.059 0.139 0.000 1.123 104 L HN 0.388 nan 8.230 nan 0.000 0.505 105 G N 1.724 110.537 108.800 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 -0.803 119.701 120.500 0.006 0.000 2.778 106 R HA 0.603 4.942 4.340 -0.001 0.000 0.277 106 R C -0.628 175.677 176.300 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 3.299 123.218 119.914 0.009 0.000 2.311 107 V HA 0.225 4.344 4.120 -0.001 0.000 0.275 107 V C 0.324 176.428 176.094 0.016 0.000 1.022 107 V CA -0.671 61.639 62.300 0.017 0.000 0.830 107 V CB 0.989 32.822 31.823 0.017 0.000 1.012 107 V HN 0.546 nan 8.190 nan 0.000 0.452 108 V N 1.520 121.445 119.914 0.018 0.000 2.975 108 V HA 0.789 4.909 4.120 -0.001 0.000 0.318 108 V C -0.014 176.087 176.094 0.011 0.000 1.077 108 V CA -0.818 61.488 62.300 0.010 0.000 1.000 108 V CB 1.961 33.786 31.823 0.003 0.000 1.066 108 V HN 0.751 nan 8.190 nan 0.000 0.452 109 D N 2.005 122.407 120.400 0.004 0.000 2.478 109 D HA 0.432 5.071 4.640 -0.001 0.000 0.274 109 D C 1.114 177.406 176.300 -0.013 0.000 1.234 109 D CA -0.047 53.955 54.000 0.003 0.000 1.069 109 D CB 0.907 41.710 40.800 0.005 0.000 1.113 109 D HN 0.793 nan 8.370 nan 0.000 0.571 110 A N -0.951 121.856 122.820 -0.021 0.000 2.216 110 A HA 0.030 4.349 4.320 -0.001 0.000 0.214 110 A C 2.012 179.535 177.584 -0.100 0.000 1.160 110 A CA 0.687 52.694 52.037 -0.049 0.000 0.725 110 A CB -0.763 18.214 19.000 -0.038 0.000 0.784 110 A HN 0.502 nan 8.150 nan 0.000 0.472 111 L N -2.664 118.497 121.223 -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 -0.167 0.000 1.163 111 L HN 0.498 nan 8.230 nan 0.000 0.497 112 G N -0.732 108.041 108.800 -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 0.187 175.074 174.900 -0.022 0.000 1.004 112 G CA -0.576 44.505 45.100 -0.032 0.000 0.648 112 G HN 0.244 nan 8.290 nan 0.000 0.491 113 N N 1.975 120.663 118.700 -0.020 0.000 2.356 113 N HA 0.420 5.159 4.740 -0.001 0.000 0.252 113 N C 0.742 176.249 175.510 -0.004 0.000 1.241 113 N CA 0.920 53.964 53.050 -0.009 0.000 0.861 113 N CB 0.957 39.442 38.487 -0.004 0.000 1.075 113 N HN 0.866 nan 8.380 nan 0.000 0.461 114 A N 1.919 124.737 122.820 -0.003 0.000 2.386 114 A HA 0.327 4.646 4.320 -0.001 0.000 0.248 114 A C 1.323 178.910 177.584 0.005 0.000 1.082 114 A CA -0.308 51.729 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 -1.953 118.621 120.570 0.008 0.000 4.310 115 I HA 0.258 4.427 4.170 -0.001 0.000 0.328 115 I C -0.093 176.030 176.117 0.009 0.000 1.406 115 I CA -0.023 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 0.437 nan 8.210 nan 0.000 0.471 116 D N 1.143 121.547 120.400 0.006 0.000 2.342 116 D HA 0.150 4.789 4.640 -0.001 0.000 0.221 116 D C 1.577 177.878 176.300 0.002 0.000 1.101 116 D CA 0.222 54.224 54.000 0.003 0.000 0.837 116 D CB -0.096 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 1.193 109.995 108.800 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 0.616 175.517 174.900 0.001 0.000 0.962 117 G CA 0.561 45.663 45.100 0.003 0.000 0.943 117 G HN 0.461 nan 8.290 nan 0.000 0.514 118 K N -0.042 120.358 120.400 0.000 0.000 2.576 118 K HA 0.469 4.788 4.320 -0.001 0.000 0.209 118 K C 1.191 177.791 176.600 -0.001 0.000 1.049 118 K CA 0.330 56.617 56.287 -0.001 0.000 1.140 118 K CB 0.175 32.674 32.500 -0.002 0.000 0.871 118 K HN 1.305 nan 8.250 nan 0.000 0.479 119 G N 2.109 110.909 108.800 -0.001 0.000 2.699 119 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.686 119 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.686 119 G C -2.883 172.015 174.900 -0.004 0.000 1.301 119 G CA -1.333 43.766 45.100 -0.002 0.000 0.816 119 G HN 0.008 nan 8.290 nan 0.000 0.595 120 P HA 0.430 nan 4.420 nan 0.000 0.270 120 P C 0.449 177.742 177.300 -0.012 0.000 1.223 120 P CA -0.457 62.639 63.100 -0.008 0.000 0.785 120 P CB 0.405 32.100 31.700 -0.008 0.000 0.923 121 I N 0.846 121.406 120.570 -0.017 0.000 2.474 121 I HA 0.166 4.335 4.170 -0.001 0.000 0.287 121 I C 1.490 177.588 176.117 -0.031 0.000 1.048 121 I CA 0.004 61.289 61.300 -0.025 0.000 1.383 121 I CB 0.382 38.363 38.000 -0.032 0.000 1.412 121 I HN 0.460 nan 8.210 nan 0.000 0.531 122 G N 4.650 113.429 108.800 -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 44.870 45.100 -0.036 0.000 1.832 122 G HN 0.556 nan 8.290 nan 0.000 0.649 123 S N -0.105 115.560 115.700 -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 -0.063 0.000 1.305 123 S CA -0.156 57.997 58.200 -0.078 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 1.230 121.586 120.400 -0.073 0.000 2.391 124 K HA 0.336 4.655 4.320 -0.001 0.000 0.197 124 K C 0.333 176.908 176.600 -0.042 0.000 1.087 124 K CA 0.006 56.264 56.287 -0.048 0.000 1.012 124 K CB 0.698 33.175 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 0.712 5.031 4.320 -0.001 0.000 0.323 125 A C -0.775 176.781 177.584 -0.047 0.000 1.119 125 A CA -0.690 51.323 52.037 -0.041 0.000 0.790 125 A CB 1.113 20.095 19.000 -0.030 0.000 1.273 125 A HN 0.074 nan 8.150 nan 0.000 0.452 126 R N -0.624 119.866 120.500 -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 2.353 32.646 30.300 -0.011 0.000 1.208 126 R HN 0.748 nan 8.270 nan 0.000 0.477 127 R N 0.389 120.894 120.500 0.008 0.000 2.561 127 R HA 0.262 4.601 4.340 -0.001 0.000 0.266 127 R C -1.355 174.957 176.300 0.018 0.000 1.091 127 R CA -0.638 55.476 56.100 0.023 0.000 0.927 127 R CB 1.429 31.752 30.300 0.038 0.000 1.240 127 R HN 0.486 nan 8.270 nan 0.000 0.449 128 R N 2.431 122.943 120.500 0.021 0.000 2.489 128 R HA 0.048 4.387 4.340 -0.001 0.000 0.287 128 R C 1.331 177.642 176.300 0.019 0.000 1.053 128 R CA 0.442 56.552 56.100 0.016 0.000 1.036 128 R CB 0.738 31.047 30.300 0.015 0.000 0.966 128 R HN 0.618 nan 8.270 nan 0.000 0.432 129 V N 1.254 121.175 119.914 0.011 0.000 2.515 129 V HA -0.005 4.114 4.120 -0.001 0.000 0.250 129 V C 1.033 177.144 176.094 0.028 0.000 1.058 129 V CA 1.584 63.901 62.300 0.028 0.000 1.064 129 V CB -0.379 31.452 31.823 0.013 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 -0.721 174.168 174.900 -0.018 0.000 1.142 130 G CA -0.414 44.649 45.100 -0.063 0.000 1.304 130 G HN 0.369 nan 8.290 nan 0.000 0.475 131 L N 1.047 122.278 121.223 0.014 0.000 2.346 131 L HA 0.474 4.813 4.340 -0.001 0.000 0.276 131 L C 0.562 177.447 176.870 0.025 0.000 1.006 131 L CA -1.033 53.819 54.840 0.020 0.000 0.817 131 L CB 2.417 44.493 42.059 0.029 0.000 1.272 131 L HN 0.248 nan 8.230 nan 0.000 0.421 132 K N 1.580 121.995 120.400 0.025 0.000 2.380 132 K HA 0.370 4.689 4.320 -0.001 0.000 0.267 132 K C -0.022 176.591 176.600 0.022 0.000 0.990 132 K CA -0.213 56.093 56.287 0.031 0.000 0.946 132 K CB 0.832 33.352 32.500 0.035 0.000 0.937 132 K HN 0.697 nan 8.250 nan 0.000 0.491 133 A N 4.809 127.641 122.820 0.019 0.000 2.407 133 A HA 0.266 4.585 4.320 -0.001 0.000 0.248 133 A C -2.110 175.466 177.584 -0.014 0.000 1.082 133 A CA -1.285 50.755 52.037 0.005 0.000 0.785 133 A CB -0.340 18.663 19.000 0.005 0.000 1.020 133 A HN 0.605 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 0.607 63.657 63.100 -0.083 0.000 0.763 134 P CB 0.247 31.862 31.700 -0.141 0.000 0.807 135 G N 1.849 110.601 108.800 -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 1.234 176.092 174.900 -0.071 0.000 1.421 135 G CA -0.610 44.455 45.100 -0.058 0.000 1.059 135 G HN 0.434 nan 8.290 nan 0.000 0.535 136 I N -0.209 120.334 120.570 -0.045 0.000 2.163 136 I HA -0.138 4.031 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 0.706 61.984 61.300 -0.036 0.000 1.353 136 I CB -0.187 37.805 38.000 -0.014 0.000 1.054 136 I HN 0.239 nan 8.210 nan 0.000 0.407 137 I N 1.187 121.731 120.570 -0.043 0.000 2.163 137 I HA -0.165 4.004 4.170 -0.001 0.000 0.243 137 I C -0.315 175.755 176.117 -0.080 0.000 1.085 137 I CA 1.765 63.051 61.300 -0.022 0.000 1.347 137 I CB -2.726 35.292 38.000 0.030 0.000 1.044 137 I HN 0.191 nan 8.210 nan 0.000 0.408 138 P HA -0.033 nan 4.420 nan 0.000 0.239 138 P C 0.068 177.130 177.300 -0.395 0.000 1.184 138 P CA 0.770 63.420 63.100 -0.751 0.000 0.760 138 P CB 0.039 31.002 31.700 -1.229 0.000 0.884 139 R N -0.594 119.804 120.500 -0.170 0.000 2.923 139 R HA 0.757 5.096 4.340 -0.001 0.000 0.252 139 R C -0.771 175.515 176.300 -0.023 0.000 1.130 139 R CA -1.103 54.944 56.100 -0.088 0.000 1.043 139 R CB 1.152 31.408 30.300 -0.074 0.000 1.205 139 R HN -0.155 nan 8.270 nan 0.000 0.495 140 I N -0.508 120.058 120.570 -0.006 0.000 2.686 140 I HA 0.239 4.409 4.170 -0.001 0.000 0.295 140 I C -0.673 175.443 176.117 -0.002 0.000 1.114 140 I CA -0.243 61.061 61.300 0.008 0.000 1.038 140 I CB 2.544 40.559 38.000 0.026 0.000 1.238 140 I HN 0.598 nan 8.210 nan 0.000 0.420 141 S N 3.990 119.689 115.700 -0.002 0.000 2.571 141 S HA 0.107 4.576 4.470 -0.001 0.000 0.298 141 S C -0.130 174.462 174.600 -0.013 0.000 1.280 141 S CA -0.390 57.805 58.200 -0.007 0.000 1.052 141 S CB 0.111 63.308 63.200 -0.005 0.000 0.799 141 S HN 0.462 nan 8.310 nan 0.000 0.501 142 V N 4.909 124.811 119.914 -0.020 0.000 2.493 142 V HA 0.065 4.185 4.120 -0.001 0.000 0.292 142 V C 1.110 177.183 176.094 -0.035 0.000 1.016 142 V CA 0.811 63.091 62.300 -0.033 0.000 1.097 142 V CB 0.351 32.153 31.823 -0.035 0.000 0.947 142 V HN 0.839 nan 8.190 nan 0.000 0.479 143 R N 1.804 122.278 120.500 -0.044 0.000 2.576 143 R HA 0.209 4.548 4.340 -0.001 0.000 0.237 143 R C 0.036 176.302 176.300 -0.057 0.000 0.917 143 R CA -0.209 55.867 56.100 -0.040 0.000 1.002 143 R CB 0.631 30.915 30.300 -0.026 0.000 1.428 143 R HN 0.730 nan 8.270 nan 0.000 0.603 144 E N 3.181 123.330 120.200 -0.085 0.000 2.259 144 E HA 0.210 4.559 4.350 -0.001 0.000 0.281 144 E C -2.458 174.063 176.600 -0.132 0.000 1.027 144 E CA -2.332 54.000 56.400 -0.114 0.000 0.838 144 E CB 0.686 30.288 29.700 -0.163 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 -0.533 176.666 177.300 -0.170 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 2.069 121.587 119.600 -0.137 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 -0.586 54.627 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 2.316 122.077 119.800 -0.065 0.000 2.296 147 Q HA 0.243 4.582 4.340 -0.001 0.000 0.262 147 Q C 1.185 177.220 176.000 0.059 0.000 0.981 147 Q CA 0.152 55.970 55.803 0.025 0.000 0.905 147 Q CB 0.836 29.640 28.738 0.109 0.000 1.186 147 Q HN 0.787 nan 8.270 nan 0.000 0.399 148 T N -1.149 113.427 114.554 0.037 0.000 2.894 148 T HA 0.133 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 0.815 62.936 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 0.820 nan 8.240 nan 0.000 0.449 149 G N 1.303 110.125 108.800 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 -0.007 174.898 174.900 0.009 0.000 0.999 149 G CA -0.166 44.949 45.100 0.025 0.000 0.659 149 G HN 0.647 nan 8.290 nan 0.000 0.503 150 I N 1.741 122.315 120.570 0.007 0.000 2.328 150 I HA 0.277 4.446 4.170 -0.001 0.000 0.287 150 I C 1.537 177.656 176.117 0.005 0.000 1.012 150 I CA -0.878 60.421 61.300 -0.002 0.000 1.195 150 I CB 1.327 39.322 38.000 -0.009 0.000 1.350 150 I HN 0.001 nan 8.210 nan 0.000 0.464 151 K N 4.548 124.951 120.400 0.005 0.000 2.000 151 K HA -0.268 4.051 4.320 -0.001 0.000 0.218 151 K C 2.158 178.765 176.600 0.011 0.000 1.053 151 K CA 1.964 58.258 56.287 0.011 0.000 0.946 151 K CB -0.386 32.121 32.500 0.013 0.000 0.723 151 K HN 0.779 nan 8.250 nan 0.000 0.446 152 A N 1.182 124.006 122.820 0.007 0.000 1.915 152 A HA -0.226 4.093 4.320 -0.001 0.000 0.220 152 A C 2.492 180.084 177.584 0.013 0.000 1.198 152 A CA 2.298 54.341 52.037 0.010 0.000 0.647 152 A CB -0.978 18.025 19.000 0.005 0.000 0.825 152 A HN 0.149 nan 8.150 nan 0.000 0.456 153 V N 0.085 120.005 119.914 0.010 0.000 2.256 153 V HA -0.156 3.964 4.120 -0.001 0.000 0.240 153 V C 2.067 178.168 176.094 0.011 0.000 1.036 153 V CA 2.064 64.371 62.300 0.012 0.000 1.008 153 V CB -0.794 31.035 31.823 0.009 0.000 0.648 153 V HN 0.506 nan 8.190 nan 0.000 0.453 154 D N 0.445 120.851 120.400 0.011 0.000 2.311 154 D HA -0.114 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 -0.048 40.761 40.800 0.015 0.000 0.915 154 D HN 0.622 nan 8.370 nan 0.000 0.497 155 S N -0.949 114.759 115.700 0.014 0.000 2.460 155 S HA 0.103 4.572 4.470 -0.001 0.000 0.226 155 S C 2.005 176.613 174.600 0.014 0.000 1.057 155 S CA -0.088 58.121 58.200 0.015 0.000 0.948 155 S CB -0.106 63.104 63.200 0.017 0.000 0.822 155 S HN 0.158 nan 8.310 nan 0.000 0.512 156 L N 1.464 122.696 121.223 0.016 0.000 2.316 156 L HA 0.337 4.677 4.340 -0.001 0.000 0.207 156 L C 0.357 177.238 176.870 0.019 0.000 1.070 156 L CA 0.168 55.019 54.840 0.019 0.000 0.820 156 L CB 0.317 42.391 42.059 0.025 0.000 0.992 156 L HN 0.333 nan 8.230 nan 0.000 0.466 157 V N -2.528 117.397 119.914 0.018 0.000 2.384 157 V HA 0.427 4.546 4.120 -0.001 0.000 0.257 157 V C -2.695 173.404 176.094 0.009 0.000 0.969 157 V CA -2.054 60.256 62.300 0.017 0.000 0.910 157 V CB -0.177 31.661 31.823 0.025 0.000 1.150 157 V HN -0.103 nan 8.190 nan 0.000 0.481 158 P HA 0.246 nan 4.420 nan 0.000 0.265 158 P C -0.369 176.924 177.300 -0.011 0.000 1.187 158 P CA 0.661 63.758 63.100 -0.004 0.000 0.766 158 P CB 0.939 32.636 31.700 -0.006 0.000 0.820 159 I N 1.846 122.405 120.570 -0.020 0.000 2.436 159 I HA 0.481 4.651 4.170 -0.001 0.000 0.289 159 I C 0.978 177.066 176.117 -0.049 0.000 1.010 159 I CA -0.454 60.829 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 4.745 113.512 108.800 -0.055 0.000 2.491 160 G HA2 0.598 4.557 3.960 -0.001 0.000 0.327 160 G HA3 0.598 4.557 3.960 -0.001 0.000 0.327 160 G C -0.561 174.282 174.900 -0.096 0.000 1.189 160 G CA -0.838 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 1.040 177.273 176.300 -0.110 0.000 1.069 161 R CA 0.847 56.848 56.100 -0.164 0.000 0.984 161 R CB 1.110 31.227 30.300 -0.306 0.000 1.003 161 R HN 1.057 nan 8.270 nan 0.000 0.459 162 G N 1.470 110.224 108.800 -0.076 0.000 2.195 162 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.224 162 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.224 162 G C 0.133 175.015 174.900 -0.030 0.000 0.990 162 G CA -0.246 44.830 45.100 -0.040 0.000 0.639 162 G HN 0.562 nan 8.290 nan 0.000 0.514 163 Q N 0.155 119.932 119.800 -0.038 0.000 2.259 163 Q HA 0.659 4.998 4.340 -0.001 0.000 0.246 163 Q C -0.014 175.975 176.000 -0.020 0.000 0.920 163 Q CA -0.585 55.202 55.803 -0.027 0.000 0.895 163 Q CB 0.490 29.209 28.738 -0.031 0.000 1.220 163 Q HN 0.381 nan 8.270 nan 0.000 0.439 164 R N 2.203 122.698 120.500 -0.008 0.000 2.310 164 R HA 0.263 4.602 4.340 -0.001 0.000 0.324 164 R C -1.286 175.013 176.300 -0.000 0.000 0.955 164 R CA -0.430 55.669 56.100 -0.000 0.000 0.830 164 R CB 1.425 31.732 30.300 0.011 0.000 1.154 164 R HN 0.466 nan 8.270 nan 0.000 0.458 165 E N 3.201 123.399 120.200 -0.003 0.000 2.199 165 E HA 0.286 4.635 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 1.189 30.888 29.700 -0.000 0.000 1.148 165 E HN 0.352 nan 8.360 nan 0.000 0.412 166 L N 5.354 126.585 121.223 0.014 0.000 2.326 166 L HA 0.508 4.847 4.340 -0.001 0.000 0.278 166 L C -0.971 175.918 176.870 0.033 0.000 1.092 166 L CA -0.116 54.734 54.840 0.017 0.000 0.810 166 L CB 0.760 42.828 42.059 0.014 0.000 1.153 166 L HN 0.672 nan 8.230 nan 0.000 0.439 167 I N 6.798 127.386 120.570 0.031 0.000 2.307 167 I HA 0.394 4.564 4.170 -0.001 0.000 0.289 167 I C -0.369 175.786 176.117 0.062 0.000 1.021 167 I CA -0.150 61.177 61.300 0.045 0.000 1.224 167 I CB 1.150 39.168 38.000 0.031 0.000 1.376 167 I HN 0.549 nan 8.210 nan 0.000 0.470 168 I N 5.355 125.992 120.570 0.111 0.000 2.647 168 I HA 0.902 5.071 4.170 -0.001 0.000 0.295 168 I C -0.365 175.877 176.117 0.210 0.000 1.078 168 I CA -0.073 61.316 61.300 0.148 0.000 1.048 168 I CB 2.125 40.221 38.000 0.160 0.000 1.239 168 I HN 0.684 nan 8.210 nan 0.000 0.421 169 G N 5.188 114.084 108.800 0.161 0.000 2.328 169 G HA2 0.158 4.117 3.960 -0.001 0.000 0.295 169 G HA3 0.158 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 -0.754 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 0.052 120.463 120.400 0.018 0.000 2.393 170 D HA 0.269 4.909 4.640 -0.001 0.000 0.246 170 D C 1.052 177.340 176.300 -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 0.169 120.662 120.500 -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 -0.265 119.476 119.800 -0.098 0.000 2.480 172 Q HA -0.166 4.174 4.340 -0.001 0.000 0.265 172 Q C 0.370 176.143 176.000 -0.379 0.000 1.072 172 Q CA 1.876 57.567 55.803 -0.188 0.000 1.018 172 Q CB -2.008 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 -4.721 109.657 114.554 -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 -0.177 0.000 1.074 173 T CA 0.807 62.670 62.100 -0.395 0.000 0.988 173 T CB 0.897 69.626 68.868 -0.232 0.000 0.988 173 T HN 0.787 nan 8.240 nan 0.000 0.530 174 G N 1.657 110.400 108.800 -0.094 0.000 2.143 174 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.175 174 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.175 174 G C 0.715 175.622 174.900 0.011 0.000 1.004 174 G CA 0.128 45.243 45.100 0.025 0.000 0.671 174 G HN 0.501 nan 8.290 nan 0.000 0.512 175 K N -0.122 120.277 120.400 -0.001 0.000 2.009 175 K HA -0.076 4.243 4.320 -0.001 0.000 0.210 175 K C 2.560 179.178 176.600 0.031 0.000 1.049 175 K CA 2.008 58.304 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 0.305 nan 8.250 nan 0.000 0.440 176 T N 0.918 115.498 114.554 0.043 0.000 2.788 176 T HA -0.123 4.226 4.350 -0.001 0.000 0.268 176 T C 2.049 176.772 174.700 0.037 0.000 1.044 176 T CA 1.556 63.700 62.100 0.073 0.000 1.139 176 T CB -0.241 68.679 68.868 0.088 0.000 0.867 176 T HN 0.179 nan 8.240 nan 0.000 0.454 177 S N 1.516 117.217 115.700 0.003 0.000 2.365 177 S HA -0.108 4.361 4.470 -0.001 0.000 0.225 177 S C 2.046 176.618 174.600 -0.048 0.000 1.039 177 S CA 0.975 59.143 58.200 -0.054 0.000 1.033 177 S CB -0.471 62.678 63.200 -0.086 0.000 0.887 177 S HN 0.344 nan 8.310 nan 0.000 0.447 178 I N 2.188 122.746 120.570 -0.020 0.000 2.145 178 I HA -0.277 3.893 4.170 -0.001 0.000 0.244 178 I C 2.742 178.861 176.117 0.004 0.000 1.075 178 I CA 1.708 63.001 61.300 -0.012 0.000 1.332 178 I CB -1.825 36.177 38.000 0.003 0.000 1.033 178 I HN 0.284 nan 8.210 nan 0.000 0.410 179 A N 1.002 123.839 122.820 0.029 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 53.383 52.037 0.056 0.000 0.623 179 A CB -0.515 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 0.515 121.093 120.570 0.012 0.000 2.113 180 I HA -0.202 3.967 4.170 -0.001 0.000 0.238 180 I C 1.960 178.087 176.117 0.016 0.000 1.070 180 I CA 1.738 63.034 61.300 -0.006 0.000 1.332 180 I CB -1.809 36.191 38.000 0.001 0.000 1.044 180 I HN 0.254 nan 8.210 nan 0.000 0.402 181 D N 0.640 121.030 120.400 -0.016 0.000 2.172 181 D HA -0.184 4.455 4.640 -0.001 0.000 0.196 181 D C 2.194 178.510 176.300 0.027 0.000 0.999 181 D CA 1.800 55.795 54.000 -0.008 0.000 0.856 181 D CB -0.199 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 0.166 114.738 114.554 0.030 0.000 2.708 182 T HA -0.070 4.279 4.350 -0.001 0.000 0.266 182 T C 2.109 176.858 174.700 0.082 0.000 1.037 182 T CA 0.619 62.748 62.100 0.048 0.000 1.146 182 T CB -0.185 68.703 68.868 0.035 0.000 0.865 182 T HN 0.178 nan 8.240 nan 0.000 0.435 183 I N 0.396 121.016 120.570 0.084 0.000 2.226 183 I HA -0.138 4.031 4.170 -0.001 0.000 0.245 183 I C 2.267 178.505 176.117 0.201 0.000 1.100 183 I CA 1.391 62.772 61.300 0.134 0.000 1.374 183 I CB -0.402 37.635 38.000 0.062 0.000 1.057 183 I HN 0.225 nan 8.210 nan 0.000 0.413 184 I N 0.927 121.572 120.570 0.126 0.000 2.315 184 I HA -0.295 3.874 4.170 -0.001 0.000 0.248 184 I C 2.233 178.416 176.117 0.110 0.000 1.117 184 I CA 1.366 62.745 61.300 0.131 0.000 1.404 184 I CB -0.340 37.718 38.000 0.097 0.000 1.071 184 I HN 0.285 nan 8.210 nan 0.000 0.419 185 N N 0.475 119.222 118.700 0.079 0.000 2.364 185 N HA -0.209 4.530 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 0.974 54.042 53.050 0.031 0.000 0.883 185 N CB 0.108 38.630 38.487 0.059 0.000 0.965 185 N HN 0.191 nan 8.380 nan 0.000 0.438 186 Q N 0.214 120.060 119.800 0.077 0.000 2.488 186 Q HA -0.046 4.293 4.340 -0.001 0.000 0.211 186 Q C 1.491 177.333 176.000 -0.264 0.000 0.967 186 Q CA 0.458 56.285 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 0.514 nan 8.270 nan 0.000 0.506 187 K N 1.106 121.377 120.400 -0.216 0.000 2.057 187 K HA -0.117 4.203 4.320 -0.001 0.000 0.207 187 K C 1.846 178.250 176.600 -0.327 0.000 1.049 187 K CA 0.766 56.907 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 0.095 nan 8.250 nan 0.000 0.440 188 R N -0.357 119.862 120.500 -0.468 0.000 2.191 188 R HA -0.229 4.110 4.340 -0.001 0.000 0.248 188 R C 2.248 178.182 176.300 -0.609 0.000 1.127 188 R CA 2.574 58.279 56.100 -0.658 0.000 0.943 188 R CB -0.720 28.824 30.300 -1.261 0.000 0.891 188 R HN 0.260 nan 8.270 nan 0.000 0.439 189 F N 0.042 119.902 119.950 -0.150 0.000 2.335 189 F HA 0.054 4.580 4.527 -0.001 0.000 0.296 189 F C 2.064 177.751 175.800 -0.189 0.000 1.091 189 F CA 0.296 58.206 58.000 -0.149 0.000 1.399 189 F CB -0.494 38.417 39.000 -0.147 0.000 1.067 189 F HN -0.065 nan 8.300 nan 0.000 0.520 190 N N 0.369 118.980 118.700 -0.148 0.000 2.309 190 N HA -0.134 4.605 4.740 -0.001 0.000 0.182 190 N C 1.064 176.496 175.510 -0.129 0.000 1.018 190 N CA 1.221 54.130 53.050 -0.236 0.000 0.876 190 N CB -0.427 37.722 38.487 -0.564 0.000 0.972 190 N HN 0.228 nan 8.380 nan 0.000 0.434 191 D N -0.108 120.217 120.400 -0.124 0.000 2.347 191 D HA 0.076 4.715 4.640 -0.001 0.000 0.213 191 D C 1.151 177.423 176.300 -0.047 0.000 0.985 191 D CA 0.194 54.155 54.000 -0.065 0.000 0.879 191 D CB -0.135 40.625 40.800 -0.066 0.000 0.919 191 D HN 0.142 nan 8.370 nan 0.000 0.526 192 G N -0.651 108.119 108.800 -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 1.045 175.944 174.900 -0.002 0.000 1.307 192 G CA -0.038 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 -0.313 114.245 114.554 0.007 0.000 2.781 193 T HA 0.001 4.350 4.350 -0.001 0.000 0.252 193 T C 0.955 175.665 174.700 0.018 0.000 1.039 193 T CA 0.696 62.803 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 1.664 122.077 120.400 0.022 0.000 2.581 194 D HA -0.029 4.610 4.640 -0.001 0.000 0.238 194 D C 0.652 176.963 176.300 0.018 0.000 1.145 194 D CA 0.333 54.346 54.000 0.022 0.000 0.866 194 D CB 0.938 41.755 40.800 0.029 0.000 1.151 194 D HN 0.192 nan 8.370 nan 0.000 0.500 195 E N 2.344 122.552 120.200 0.014 0.000 2.385 195 E HA -0.009 4.341 4.350 -0.001 0.000 0.194 195 E C 1.441 178.032 176.600 -0.014 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 0.048 120.444 120.400 -0.007 0.000 2.228 196 K HA 0.030 4.350 4.320 -0.001 0.000 0.202 196 K C 1.584 178.237 176.600 0.089 0.000 1.051 196 K CA 0.663 56.955 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 1.132 121.540 120.400 0.013 0.000 2.400 197 K HA 0.040 4.359 4.320 -0.001 0.000 0.194 197 K C 0.097 176.629 176.600 -0.114 0.000 1.033 197 K CA 0.285 56.525 56.287 -0.078 0.000 1.021 197 K CB 0.294 32.753 32.500 -0.069 0.000 0.808 197 K HN 0.074 nan 8.250 nan 0.000 0.505 198 K N 1.228 121.587 120.400 -0.068 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 -0.170 56.001 56.287 -0.194 0.000 0.957 198 K CB 0.587 32.919 32.500 -0.281 0.000 0.939 198 K HN -0.163 nan 8.250 nan 0.000 0.482 199 L N 3.811 124.799 121.223 -0.391 0.000 2.446 199 L HA 0.288 4.628 4.340 -0.001 0.000 0.268 199 L C -1.637 174.996 176.870 -0.395 0.000 0.975 199 L CA -0.476 54.179 54.840 -0.309 0.000 0.848 199 L CB 0.728 42.688 42.059 -0.165 0.000 1.225 199 L HN 0.429 nan 8.230 nan 0.000 0.410 200 Y N 3.140 123.360 120.300 -0.134 0.000 2.319 200 Y HA 0.443 4.992 4.550 -0.001 0.000 0.328 200 Y C 0.652 176.446 175.900 -0.176 0.000 1.133 200 Y CA -0.044 57.928 58.100 -0.213 0.000 1.265 200 Y CB 0.852 38.873 38.460 -0.731 0.000 1.218 200 Y HN 0.502 nan 8.280 nan 0.000 0.508 201 C N 4.450 123.810 119.300 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 57.932 59.018 0.048 0.000 1.877 201 C CB 0.475 28.285 27.740 0.116 0.000 2.348 201 C HN 0.656 nan 8.230 nan 0.000 0.508 202 I N 1.575 122.144 120.570 -0.001 0.000 2.533 202 I HA 0.318 4.488 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 60.801 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 6.605 126.867 120.300 -0.063 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 57.319 58.100 -0.063 0.000 1.248 203 Y CB 1.313 39.745 38.460 -0.046 0.000 1.117 203 Y HN 0.250 nan 8.280 nan 0.000 0.476 204 V N 6.399 126.029 119.914 -0.473 0.000 2.348 204 V HA 0.623 4.742 4.120 -0.001 0.000 0.270 204 V C 0.262 176.108 176.094 -0.413 0.000 1.037 204 V CA -0.560 61.566 62.300 -0.290 0.000 0.872 204 V CB 0.626 32.380 31.823 -0.116 0.000 1.002 204 V HN 0.907 nan 8.190 nan 0.000 0.464 205 A N 7.107 129.807 122.820 -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 -0.299 51.686 52.037 -0.087 0.000 0.818 205 A CB 0.166 19.226 19.000 0.101 0.000 1.087 205 A HN 0.806 nan 8.150 nan 0.000 0.504 206 I N 1.850 122.408 120.570 -0.021 0.000 2.478 206 I HA 0.527 4.696 4.170 -0.001 0.000 0.287 206 I C 1.080 177.221 176.117 0.039 0.000 1.042 206 I CA 0.018 61.325 61.300 0.012 0.000 1.067 206 I CB 1.840 39.840 38.000 -0.000 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 0.057 0.000 0.978 207 G CA 0.597 45.734 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 0.597 176.631 176.000 0.057 0.000 1.135 208 Q CA 0.320 56.160 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 0.409 120.842 120.400 0.055 0.000 2.206 209 K HA 0.203 4.522 4.320 -0.001 0.000 0.264 209 K C 0.596 177.223 176.600 0.046 0.000 0.967 209 K CA -0.364 55.950 56.287 0.046 0.000 0.844 209 K CB 0.797 33.321 32.500 0.041 0.000 1.099 209 K HN 0.555 nan 8.250 nan 0.000 0.441 210 R N 0.582 121.106 120.500 0.041 0.000 2.119 210 R HA -0.176 4.163 4.340 -0.001 0.000 0.246 210 R C 1.873 178.191 176.300 0.031 0.000 1.146 210 R CA 2.447 58.570 56.100 0.037 0.000 0.962 210 R CB -0.132 30.186 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 -0.095 4.375 4.470 -0.001 0.000 0.229 211 S C 1.891 176.505 174.600 0.023 0.000 1.021 211 S CA 1.564 59.777 58.200 0.022 0.000 0.974 211 S CB -0.287 62.924 63.200 0.019 0.000 0.800 211 S HN 0.227 nan 8.310 nan 0.000 0.484 212 T N 2.393 116.965 114.554 0.031 0.000 2.777 212 T HA 0.012 4.362 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 1.299 63.420 62.100 0.035 0.000 1.141 212 T CB -0.489 68.409 68.868 0.049 0.000 0.868 212 T HN 0.274 nan 8.240 nan 0.000 0.444 213 V N 1.869 121.811 119.914 0.047 0.000 2.261 213 V HA -0.160 3.960 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 1.715 64.046 62.300 0.050 0.000 1.015 213 V CB -1.293 30.578 31.823 0.080 0.000 0.642 213 V HN 0.514 nan 8.190 nan 0.000 0.446 214 A N -0.633 122.194 122.820 0.013 0.000 1.948 214 A HA -0.290 4.029 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 1.902 53.939 52.037 -0.001 0.000 0.636 214 A CB -0.469 18.534 19.000 0.004 0.000 0.815 214 A HN 0.580 nan 8.150 nan 0.000 0.449 215 Q N -0.705 119.088 119.800 -0.011 0.000 2.079 215 Q HA -0.093 4.246 4.340 -0.001 0.000 0.200 215 Q C 2.192 178.168 176.000 -0.039 0.000 0.974 215 Q CA 0.984 56.776 55.803 -0.018 0.000 0.840 215 Q CB -0.666 28.069 28.738 -0.004 0.000 0.898 215 Q HN 0.637 nan 8.270 nan 0.000 0.430 216 L N 1.039 122.232 121.223 -0.051 0.000 2.017 216 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 216 L C 2.352 179.145 176.870 -0.128 0.000 1.073 216 L CA 1.834 56.608 54.840 -0.110 0.000 0.745 216 L CB -0.795 41.165 42.059 -0.166 0.000 0.894 216 L HN 0.197 nan 8.230 nan 0.000 0.432 217 V N -1.290 118.567 119.914 -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 1.737 63.983 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 4.110 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 57.974 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 0.753 121.200 120.500 -0.087 0.000 2.113 219 R HA -0.160 4.179 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 1.780 57.817 56.100 -0.105 0.000 0.953 219 R CB -0.349 29.895 30.300 -0.093 0.000 0.860 219 R HN 0.262 nan 8.270 nan 0.000 0.438 220 L N -0.592 120.569 121.223 -0.103 0.000 2.017 220 L HA -0.203 4.136 4.340 -0.001 0.000 0.208 220 L C 2.388 179.191 176.870 -0.112 0.000 1.073 220 L CA 1.898 56.667 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 0.352 nan 8.230 nan 0.000 0.432 221 T N -1.067 113.429 114.554 -0.096 0.000 2.708 221 T HA -0.195 4.154 4.350 -0.001 0.000 0.266 221 T C 1.417 176.077 174.700 -0.066 0.000 1.037 221 T CA 1.557 63.610 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 1.181 121.538 120.400 -0.070 0.000 2.311 222 D HA 0.023 4.662 4.640 -0.001 0.000 0.212 222 D C 1.784 178.047 176.300 -0.062 0.000 0.972 222 D CA 0.742 54.701 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 0.460 nan 8.370 nan 0.000 0.497 223 A N -0.154 122.630 122.820 -0.059 0.000 2.348 223 A HA 0.103 4.422 4.320 -0.001 0.000 0.224 223 A C 0.462 178.039 177.584 -0.011 0.000 1.227 223 A CA 0.206 52.223 52.037 -0.033 0.000 0.885 223 A CB 0.330 19.317 19.000 -0.022 0.000 0.933 223 A HN 0.002 nan 8.150 nan 0.000 0.506 224 D N -2.327 118.056 120.400 -0.029 0.000 2.746 224 D HA -0.188 4.452 4.640 -0.001 0.000 0.236 224 D C 0.663 176.961 176.300 -0.003 0.000 1.129 224 D CA 1.004 54.999 54.000 -0.008 0.000 0.691 224 D CB -1.280 39.534 40.800 0.023 0.000 1.077 224 D HN 0.527 nan 8.370 nan 0.000 0.432 225 A N -0.453 122.276 122.820 -0.152 0.000 2.259 225 A HA 0.165 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 0.267 51.988 52.037 -0.526 0.000 0.910 225 A CB 0.058 18.861 19.000 -0.328 0.000 0.946 225 A HN 0.274 nan 8.150 nan 0.000 0.497 226 M N 1.361 120.762 119.600 -0.332 0.000 2.149 226 M HA -0.191 4.289 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 2.036 57.191 55.300 -0.241 0.000 1.102 226 M CB -0.989 31.536 32.600 -0.126 0.000 1.369 226 M HN 0.685 nan 8.290 nan 0.000 0.408 227 K N 0.708 121.024 120.400 -0.139 0.000 2.089 227 K HA -0.215 4.105 4.320 -0.001 0.000 0.210 227 K C 1.188 177.849 176.600 0.101 0.000 1.048 227 K CA 2.211 58.509 56.287 0.019 0.000 0.926 227 K CB -1.055 31.511 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 0.456 5.005 4.550 -0.001 0.000 0.266 228 Y C -0.427 175.533 175.900 0.101 0.000 1.178 228 Y CA -0.972 57.212 58.100 0.139 0.000 1.226 228 Y CB -0.047 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 0.642 4.991 4.350 -0.001 0.000 0.288 229 T C -0.503 174.196 174.700 -0.002 0.000 1.021 229 T CA -0.526 61.537 62.100 -0.061 0.000 1.000 229 T CB 2.097 70.869 68.868 -0.161 0.000 1.034 229 T HN 0.126 nan 8.240 nan 0.000 0.467 230 I N 1.532 122.122 120.570 0.034 0.000 2.530 230 I HA 0.598 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 -1.184 60.145 61.300 0.049 0.000 1.107 230 I CB 2.042 40.086 38.000 0.073 0.000 1.285 230 I HN 0.223 nan 8.210 nan 0.000 0.436 231 V N 6.259 126.208 119.914 0.058 0.000 2.409 231 V HA 0.293 4.412 4.120 -0.001 0.000 0.290 231 V C -0.180 175.958 176.094 0.075 0.000 1.017 231 V CA -0.673 61.689 62.300 0.103 0.000 0.841 231 V CB 1.876 33.759 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 0.427 4.546 4.120 -0.001 0.000 0.272 232 V C 0.452 176.566 176.094 0.033 0.000 1.043 232 V CA 0.035 62.352 62.300 0.030 0.000 0.915 232 V CB 1.564 33.394 31.823 0.010 0.000 0.988 232 V HN 0.815 nan 8.190 nan 0.000 0.466 233 S N 3.665 119.387 115.700 0.037 0.000 2.449 233 S HA 0.771 5.241 4.470 -0.001 0.000 0.310 233 S C -0.034 174.586 174.600 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 3.980 126.821 122.820 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 18.922 19.000 0.042 0.000 1.138 234 A HN 0.752 nan 8.150 nan 0.000 0.474 235 T N -1.455 113.131 114.554 0.053 0.000 2.816 235 T HA 0.548 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 62.146 62.100 0.054 0.000 0.994 235 T CB 1.159 70.058 68.868 0.051 0.000 1.025 235 T HN 1.228 nan 8.240 nan 0.000 0.529 236 A N 1.330 124.182 122.820 0.053 0.000 1.969 236 A HA -0.214 4.105 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 2.820 54.887 52.037 0.051 0.000 0.667 236 A CB -1.625 17.402 19.000 0.045 0.000 0.826 236 A HN 1.196 nan 8.150 nan 0.000 0.472 237 S N -1.009 114.718 115.700 0.045 0.000 2.548 237 S HA 0.090 4.559 4.470 -0.001 0.000 0.215 237 S C 0.194 174.824 174.600 0.049 0.000 0.976 237 S CA -0.108 58.117 58.200 0.041 0.000 0.908 237 S CB -0.166 63.055 63.200 0.035 0.000 0.781 237 S HN 0.495 nan 8.310 nan 0.000 0.519 238 D N 2.885 123.321 120.400 0.059 0.000 2.399 238 D HA 0.423 5.063 4.640 -0.001 0.000 0.241 238 D C 0.519 176.870 176.300 0.085 0.000 1.133 238 D CA 0.332 54.375 54.000 0.072 0.000 0.890 238 D CB 0.992 41.838 40.800 0.078 0.000 1.201 238 D HN 0.424 nan 8.370 nan 0.000 0.432 239 A N 1.559 124.437 122.820 0.097 0.000 2.555 239 A HA 0.245 4.564 4.320 -0.001 0.000 0.233 239 A C 1.461 179.123 177.584 0.131 0.000 1.060 239 A CA 0.513 52.610 52.037 0.100 0.000 0.759 239 A CB 0.193 19.263 19.000 0.116 0.000 0.995 239 A HN 0.652 nan 8.150 nan 0.000 0.506 240 A N 2.912 125.798 122.820 0.109 0.000 1.903 240 A HA -0.105 4.215 4.320 -0.001 0.000 0.219 240 A C -0.073 177.646 177.584 0.225 0.000 1.191 240 A CA 2.195 54.314 52.037 0.138 0.000 0.638 240 A CB -1.763 17.289 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 1.390 179.022 177.300 0.553 0.000 1.148 241 P CA 0.801 64.144 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 -0.788 120.673 121.223 0.398 0.000 2.044 242 L HA -0.158 4.181 4.340 -0.001 0.000 0.205 242 L C 2.756 179.742 176.870 0.193 0.000 1.075 242 L CA 1.497 56.494 54.840 0.262 0.000 0.747 242 L CB -1.167 40.998 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 -0.282 4.058 4.340 -0.001 0.000 0.204 243 Q C 2.124 178.234 176.000 0.183 0.000 0.981 243 Q CA 2.181 58.077 55.803 0.156 0.000 0.856 243 Q CB -0.396 28.436 28.738 0.155 0.000 0.902 243 Q HN 0.507 nan 8.270 nan 0.000 0.425 244 Y N 1.043 121.443 120.300 0.166 0.000 2.114 244 Y HA -0.250 4.299 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 1.366 59.588 58.100 0.203 0.000 1.135 244 Y CB -0.458 38.146 38.460 0.240 0.000 0.980 244 Y HN 0.061 nan 8.280 nan 0.000 0.499 245 L N 0.848 122.014 121.223 -0.095 0.000 2.056 245 L HA -0.053 4.286 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 1.946 56.723 54.840 -0.105 0.000 0.749 245 L CB -1.383 40.679 42.059 0.005 0.000 0.901 245 L HN 0.375 nan 8.230 nan 0.000 0.433 246 A N 0.289 123.088 122.820 -0.035 0.000 1.935 246 A HA -0.303 4.016 4.320 -0.001 0.000 0.224 246 A C 0.008 177.536 177.584 -0.094 0.000 1.324 246 A CA 2.825 54.835 52.037 -0.046 0.000 0.686 246 A CB -2.461 16.528 19.000 -0.018 0.000 0.837 246 A HN 0.455 nan 8.150 nan 0.000 0.481 247 P HA -0.158 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 1.618 64.496 63.100 -0.369 0.000 0.883 247 P CB -0.338 30.917 31.700 -0.742 0.000 0.788 248 Y N -0.091 120.084 120.300 -0.208 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 1.457 59.462 58.100 -0.159 0.000 1.164 248 Y CB -1.566 36.763 38.460 -0.218 0.000 0.978 248 Y HN -0.081 nan 8.280 nan 0.000 0.513 249 S N -0.035 115.694 115.700 0.049 0.000 2.351 249 S HA -0.217 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 1.486 59.699 58.200 0.021 0.000 1.031 249 S CB -1.167 62.023 63.200 -0.018 0.000 0.928 249 S HN 0.666 nan 8.310 nan 0.000 0.433 250 G N -0.084 108.737 108.800 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 1.730 176.688 174.900 0.096 0.000 1.141 250 G CA 1.154 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 0.388 119.761 119.300 0.121 0.000 2.413 251 C HA -0.032 4.427 4.460 -0.001 0.000 0.276 251 C C 3.280 178.344 174.990 0.123 0.000 1.236 251 C CA 1.724 60.827 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 0.376 116.138 115.700 0.103 0.000 2.383 252 S HA -0.171 4.298 4.470 -0.001 0.000 0.229 252 S C 1.690 176.364 174.600 0.122 0.000 1.030 252 S CA 2.008 60.267 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 0.431 120.105 119.600 0.124 0.000 2.394 253 M HA 0.019 4.499 4.480 -0.001 0.000 0.264 253 M C 2.285 178.780 176.300 0.325 0.000 1.073 253 M CA 1.138 56.533 55.300 0.159 0.000 1.111 253 M CB -0.462 32.214 32.600 0.126 0.000 1.401 253 M HN 0.407 nan 8.290 nan 0.000 0.448 254 G N 0.329 109.295 108.800 0.277 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 1.261 176.369 174.900 0.347 0.000 1.140 254 G CA 0.113 45.423 45.100 0.349 0.000 0.801 254 G HN 0.487 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 1.851 178.531 176.600 0.134 0.000 0.988 255 E CA 0.423 56.920 56.400 0.161 0.000 0.828 255 E CB -0.233 29.531 29.700 0.107 0.000 0.763 255 E HN 0.580 nan 8.360 nan 0.000 0.478 256 Y N 1.025 121.337 120.300 0.020 0.000 2.081 256 Y HA -0.316 4.233 4.550 -0.001 0.000 0.280 256 Y C 1.724 177.519 175.900 -0.175 0.000 1.163 256 Y CA 1.771 59.782 58.100 -0.149 0.000 1.135 256 Y CB -0.398 37.873 38.460 -0.315 0.000 0.970 256 Y HN -0.076 nan 8.280 nan 0.000 0.498 257 F N 0.267 120.241 119.950 0.039 0.000 2.146 257 F HA -0.117 4.410 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 1.793 59.775 58.000 -0.031 0.000 1.275 257 F CB -0.676 38.412 39.000 0.147 0.000 1.008 257 F HN -0.031 nan 8.300 nan 0.000 0.480 258 R N 0.641 121.267 120.500 0.210 0.000 2.081 258 R HA -0.156 4.184 4.340 -0.001 0.000 0.235 258 R C 1.215 177.551 176.300 0.061 0.000 1.131 258 R CA 1.901 58.088 56.100 0.144 0.000 0.960 258 R CB -0.424 29.955 30.300 0.133 0.000 0.856 258 R HN 0.155 nan 8.270 nan 0.000 0.436 259 D N 0.093 120.491 120.400 -0.003 0.000 2.363 259 D HA -0.027 4.612 4.640 -0.001 0.000 0.220 259 D C -0.004 176.249 176.300 -0.080 0.000 0.994 259 D CA 0.752 54.740 54.000 -0.020 0.000 0.890 259 D CB -0.030 40.751 40.800 -0.031 0.000 0.906 259 D HN 0.395 nan 8.370 nan 0.000 0.530 260 N N -0.505 118.098 118.700 -0.161 0.000 2.535 260 N HA 0.247 4.986 4.740 -0.001 0.000 0.294 260 N C 0.728 176.172 175.510 -0.110 0.000 1.408 260 N CA -0.157 52.776 53.050 -0.196 0.000 0.927 260 N CB 1.273 39.509 38.487 -0.418 0.000 1.276 260 N HN -0.061 nan 8.380 nan 0.000 0.505 261 G N 0.894 109.664 108.800 -0.049 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 0.237 175.059 174.900 -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 -0.970 119.392 120.400 -0.063 0.000 2.210 262 K HA 0.701 5.020 4.320 -0.001 0.000 0.236 262 K C -0.012 176.601 176.600 0.022 0.000 1.016 262 K CA -0.783 55.497 56.287 -0.012 0.000 0.913 262 K CB 0.902 33.574 32.500 0.285 0.000 1.141 262 K HN 0.456 nan 8.250 nan 0.000 0.462 263 H N -0.682 118.532 119.070 0.239 0.000 2.529 263 H HA 0.594 5.149 4.556 -0.001 0.000 0.348 263 H C -1.148 174.241 175.328 0.102 0.000 1.079 263 H CA -1.103 55.012 56.048 0.113 0.000 1.198 263 H CB 1.965 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 2.779 125.707 122.820 0.181 0.000 2.413 264 A HA 0.617 4.936 4.320 -0.001 0.000 0.307 264 A C -1.706 175.874 177.584 -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 0.042 0.000 1.296 264 A HN 0.500 nan 8.150 nan 0.000 0.423 265 L N 1.948 123.144 121.223 -0.045 0.000 2.376 265 L HA 0.764 5.103 4.340 -0.001 0.000 0.275 265 L C -1.188 175.624 176.870 -0.097 0.000 0.987 265 L CA -0.340 54.464 54.840 -0.060 0.000 0.828 265 L CB 1.218 43.254 42.059 -0.039 0.000 1.249 265 L HN 0.701 nan 8.230 nan 0.000 0.409 266 I N 5.109 125.571 120.570 -0.179 0.000 2.433 266 I HA 0.560 4.730 4.170 -0.001 0.000 0.292 266 I C -1.273 174.552 176.117 -0.486 0.000 1.001 266 I CA -0.692 60.411 61.300 -0.328 0.000 1.119 266 I CB 1.476 39.228 38.000 -0.412 0.000 1.289 266 I HN 0.596 nan 8.210 nan 0.000 0.438 267 I N 8.294 128.614 120.570 -0.418 0.000 2.339 267 I HA 0.237 4.406 4.170 -0.001 0.000 0.290 267 I C -1.029 174.781 176.117 -0.511 0.000 0.994 267 I CA -0.224 60.857 61.300 -0.366 0.000 1.191 267 I CB 0.927 38.863 38.000 -0.106 0.000 1.343 267 I HN 0.314 nan 8.210 nan 0.000 0.458 268 Y N 4.024 124.198 120.300 -0.211 0.000 2.700 268 Y HA 0.379 4.928 4.550 -0.001 0.000 0.333 268 Y C 0.088 175.842 175.900 -0.243 0.000 1.036 268 Y CA -0.930 57.019 58.100 -0.253 0.000 1.287 268 Y CB 0.250 38.564 38.460 -0.242 0.000 1.132 268 Y HN 0.406 nan 8.280 nan 0.000 0.510 269 D N 3.313 123.593 120.400 -0.199 0.000 2.472 269 D HA 0.219 4.859 4.640 -0.001 0.000 0.234 269 D C -1.098 175.152 176.300 -0.082 0.000 1.088 269 D CA -0.414 53.500 54.000 -0.144 0.000 0.882 269 D CB 0.381 41.032 40.800 -0.248 0.000 1.037 269 D HN 0.573 nan 8.370 nan 0.000 0.520 270 D N 0.981 121.363 120.400 -0.031 0.000 2.493 270 D HA 0.263 4.902 4.640 -0.001 0.000 0.239 270 D C 0.938 177.213 176.300 -0.042 0.000 1.049 270 D CA -0.747 53.237 54.000 -0.026 0.000 1.008 270 D CB 1.151 41.951 40.800 -0.001 0.000 1.398 270 D HN 0.116 nan 8.370 nan 0.000 0.513 271 L N 0.224 121.391 121.223 -0.093 0.000 2.591 271 L HA 0.065 4.404 4.340 -0.001 0.000 0.228 271 L C 1.466 178.336 176.870 -0.001 0.000 1.133 271 L CA 0.244 54.978 54.840 -0.177 0.000 0.880 271 L CB -0.152 41.585 42.059 -0.537 0.000 1.033 271 L HN 0.384 nan 8.230 nan 0.000 0.450 272 S N 0.080 115.802 115.700 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 0.916 59.177 58.200 0.102 0.000 0.965 272 S CB 0.151 63.398 63.200 0.078 0.000 0.864 272 S HN 0.358 nan 8.310 nan 0.000 0.471 273 K N 1.239 121.704 120.400 0.108 0.000 2.211 273 K HA -0.074 4.245 4.320 -0.001 0.000 0.203 273 K C 2.321 179.012 176.600 0.152 0.000 1.050 273 K CA 0.773 57.132 56.287 0.120 0.000 0.945 273 K CB -0.106 32.444 32.500 0.085 0.000 0.732 273 K HN 0.351 nan 8.250 nan 0.000 0.451 274 Q N 0.920 120.808 119.800 0.147 0.000 2.046 274 Q HA -0.134 4.205 4.340 -0.001 0.000 0.200 274 Q C 2.131 178.307 176.000 0.293 0.000 0.975 274 Q CA 1.397 57.315 55.803 0.192 0.000 0.836 274 Q CB -0.086 28.730 28.738 0.130 0.000 0.896 274 Q HN 0.316 nan 8.270 nan 0.000 0.428 275 A N 0.257 123.261 122.820 0.307 0.000 1.917 275 A HA -0.167 4.153 4.320 -0.001 0.000 0.219 275 A C 2.250 180.109 177.584 0.458 0.000 1.182 275 A CA 1.693 53.941 52.037 0.352 0.000 0.633 275 A CB -0.870 18.243 19.000 0.188 0.000 0.819 275 A HN 0.307 nan 8.150 nan 0.000 0.448 276 V N -0.247 119.886 119.914 0.366 0.000 2.287 276 V HA -0.280 3.840 4.120 -0.001 0.000 0.248 276 V C 3.080 179.285 176.094 0.184 0.000 1.053 276 V CA 2.061 64.507 62.300 0.244 0.000 1.027 276 V CB -1.263 30.661 31.823 0.169 0.000 0.646 276 V HN 0.650 nan 8.190 nan 0.000 0.447 277 A N -0.825 122.124 122.820 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 2.352 54.514 52.037 0.208 0.000 0.624 277 A CB -0.874 18.279 19.000 0.256 0.000 0.822 277 A HN 0.640 nan 8.150 nan 0.000 0.444 278 Y N 0.605 121.016 120.300 0.184 0.000 2.097 278 Y HA -0.250 4.300 4.550 -0.001 0.000 0.282 278 Y C 2.499 178.430 175.900 0.052 0.000 1.152 278 Y CA 2.164 60.329 58.100 0.108 0.000 1.136 278 Y CB -0.679 37.898 38.460 0.195 0.000 0.975 278 Y HN 0.364 nan 8.280 nan 0.000 0.498 279 R N 0.319 120.815 120.500 -0.006 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 2.256 58.267 56.100 -0.148 0.000 0.952 279 R CB -0.527 29.698 30.300 -0.125 0.000 0.854 279 R HN 0.653 nan 8.270 nan 0.000 0.436 280 Q N 0.298 120.050 119.800 -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 2.148 57.909 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 -0.039 119.509 119.600 -0.086 0.000 2.082 281 M HA -0.222 4.258 4.480 -0.001 0.000 0.258 281 M C 2.287 178.487 176.300 -0.168 0.000 1.069 281 M CA 2.198 57.429 55.300 -0.115 0.000 1.102 281 M CB -0.257 32.268 32.600 -0.125 0.000 1.336 281 M HN 0.284 nan 8.290 nan 0.000 0.404 282 S N 0.399 115.935 115.700 -0.274 0.000 2.368 282 S HA -0.091 4.378 4.470 -0.001 0.000 0.225 282 S C 1.741 176.225 174.600 -0.193 0.000 1.030 282 S CA 1.318 59.335 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 0.833 121.954 121.223 -0.170 0.000 2.093 283 L HA -0.007 4.332 4.340 -0.001 0.000 0.208 283 L C 2.069 178.886 176.870 -0.089 0.000 1.085 283 L CA 0.859 55.629 54.840 -0.117 0.000 0.755 283 L CB -0.450 41.544 42.059 -0.109 0.000 0.904 283 L HN 0.304 nan 8.230 nan 0.000 0.435 284 L N -0.523 120.648 121.223 -0.088 0.000 2.450 284 L HA -0.178 4.161 4.340 -0.001 0.000 0.224 284 L C 1.958 178.790 176.870 -0.064 0.000 1.149 284 L CA 0.736 55.535 54.840 -0.068 0.000 0.816 284 L CB -0.256 41.765 42.059 -0.064 0.000 0.932 284 L HN 0.300 nan 8.230 nan 0.000 0.449 285 L N -0.306 120.872 121.223 -0.075 0.000 2.592 285 L HA 0.140 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 -0.123 54.681 54.840 -0.059 0.000 0.884 285 L CB 0.109 42.129 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 4.177 4.340 -0.001 0.000 0.320 286 R C -0.117 176.159 176.300 -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 1.823 122.290 120.500 -0.054 0.000 2.267 287 R HA 0.245 4.584 4.340 -0.001 0.000 0.319 287 R C -1.939 174.334 176.300 -0.044 0.000 1.067 287 R CA -1.675 54.399 56.100 -0.044 0.000 0.936 287 R CB 0.635 30.901 30.300 -0.056 0.000 1.006 287 R HN -0.139 nan 8.270 nan 0.000 0.452 288 P HA -0.040 nan 4.420 nan 0.000 0.261 288 P C -2.282 175.004 177.300 -0.025 0.000 1.173 288 P CA -0.666 62.420 63.100 -0.024 0.000 0.760 288 P CB -0.023 31.670 31.700 -0.012 0.000 0.783 289 P HA 0.197 nan 4.420 nan 0.000 0.272 289 P C 0.266 177.564 177.300 -0.002 0.000 1.230 289 P CA 0.137 63.218 63.100 -0.031 0.000 0.788 289 P CB 0.871 32.542 31.700 -0.048 0.000 0.949 290 G N 0.511 109.327 108.800 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 -0.674 174.250 174.900 0.041 0.000 1.234 290 G CA -0.948 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 0.394 120.906 120.500 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 0.068 0.000 0.981 291 R CA 1.320 57.377 56.100 -0.071 0.000 1.091 291 R CB -0.234 29.856 30.300 -0.349 0.000 0.924 291 R HN 0.722 nan 8.270 nan 0.000 0.411 292 E N 2.380 122.600 120.200 0.035 0.000 2.971 292 E HA -0.380 3.969 4.350 -0.001 0.000 0.271 292 E C 0.412 177.026 176.600 0.022 0.000 1.053 292 E CA 0.638 57.109 56.400 0.118 0.000 0.817 292 E CB -1.018 28.881 29.700 0.332 0.000 1.410 292 E HN 0.880 nan 8.360 nan 0.000 0.445 293 A N -2.818 119.992 122.820 -0.017 0.000 3.663 293 A HA -0.287 4.032 4.320 -0.001 0.000 0.254 293 A C 0.166 177.660 177.584 -0.149 0.000 1.037 293 A CA 1.478 53.443 52.037 -0.119 0.000 1.450 293 A CB -1.686 17.195 19.000 -0.198 0.000 1.014 293 A HN 0.354 nan 8.150 nan 0.000 0.865 294 Y N 0.359 120.693 120.300 0.056 0.000 2.314 294 Y HA 0.472 5.021 4.550 -0.001 0.000 0.334 294 Y C -1.666 174.254 175.900 0.032 0.000 1.266 294 Y CA -1.466 56.666 58.100 0.053 0.000 1.391 294 Y CB -0.037 38.512 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 0.626 178.045 177.300 0.198 0.000 1.208 295 P CA 0.555 63.702 63.100 0.078 0.000 0.777 295 P CB 0.597 32.263 31.700 -0.057 0.000 0.875 296 G N 1.590 110.484 108.800 0.158 0.000 2.559 296 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.216 296 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.216 296 G C 0.420 175.458 174.900 0.230 0.000 1.126 296 G CA 0.386 45.592 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 1.804 178.295 176.300 0.317 0.000 1.257 297 D CA -0.197 53.998 54.000 0.326 0.000 0.831 297 D CB -0.085 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 -1.535 118.542 119.914 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 -0.048 0.000 1.058 298 V CA 0.896 63.244 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 1.228 121.151 119.950 -0.046 0.000 2.046 299 F HA -0.235 4.292 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 1.998 59.978 58.000 -0.033 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 1.036 121.307 120.300 -0.049 0.000 2.139 300 Y HA -0.280 4.269 4.550 -0.001 0.000 0.282 300 Y C 2.339 178.103 175.900 -0.227 0.000 1.179 300 Y CA 1.882 59.866 58.100 -0.194 0.000 1.161 300 Y CB -1.225 37.238 38.460 0.005 0.000 0.970 300 Y HN 0.306 nan 8.280 nan 0.000 0.511 301 L N -0.280 120.763 121.223 -0.301 0.000 2.021 301 L HA -0.300 4.039 4.340 -0.001 0.000 0.215 301 L C 2.201 178.889 176.870 -0.303 0.000 1.074 301 L CA 2.581 57.162 54.840 -0.432 0.000 0.760 301 L CB -0.827 40.911 42.059 -0.534 0.000 0.889 301 L HN 0.395 nan 8.230 nan 0.000 0.433 302 H N -1.599 117.296 119.070 -0.291 0.000 2.465 302 H HA -0.008 4.548 4.556 -0.001 0.000 0.289 302 H C 2.392 177.506 175.328 -0.357 0.000 1.022 302 H CA 0.681 56.536 56.048 -0.323 0.000 1.340 302 H CB 0.073 29.679 29.762 -0.261 0.000 1.437 302 H HN 0.575 nan 8.280 nan 0.000 0.539 303 S N 1.296 116.779 115.700 -0.361 0.000 2.348 303 S HA -0.244 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 1.068 59.045 58.200 -0.371 0.000 1.010 303 S CB -0.337 62.456 63.200 -0.677 0.000 0.891 303 S HN 0.294 nan 8.310 nan 0.000 0.442 304 R N 0.555 120.947 120.500 -0.180 0.000 2.134 304 R HA -0.158 4.181 4.340 -0.001 0.000 0.248 304 R C 2.427 178.683 176.300 -0.073 0.000 1.143 304 R CA 1.894 57.918 56.100 -0.127 0.000 0.957 304 R CB -0.626 29.447 30.300 -0.379 0.000 0.867 304 R HN 0.545 nan 8.270 nan 0.000 0.441 305 L N 0.400 121.553 121.223 -0.117 0.000 1.993 305 L HA -0.084 4.255 4.340 -0.001 0.000 0.206 305 L C 1.934 178.708 176.870 -0.160 0.000 1.074 305 L CA 1.623 56.346 54.840 -0.195 0.000 0.746 305 L CB -0.332 41.422 42.059 -0.508 0.000 0.896 305 L HN 0.182 nan 8.230 nan 0.000 0.435 306 L N -0.332 120.791 121.223 -0.166 0.000 2.362 306 L HA -0.112 4.227 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 0.566 55.366 54.840 -0.067 0.000 0.807 306 L CB -0.701 41.311 42.059 -0.079 0.000 0.927 306 L HN 0.375 nan 8.230 nan 0.000 0.447 307 E N 0.490 120.669 120.200 -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 0.672 57.065 56.400 -0.011 0.000 0.836 307 E CB 0.077 29.774 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 0.007 0.000 2.148 308 R HA 0.002 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 0.638 56.753 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 1.065 123.910 122.820 0.042 0.000 2.492 309 A HA 0.525 4.844 4.320 -0.001 0.000 0.254 309 A C -0.134 177.460 177.584 0.016 0.000 1.091 309 A CA 0.359 52.418 52.037 0.037 0.000 0.768 309 A CB 0.211 19.234 19.000 0.039 0.000 1.028 309 A HN 0.350 nan 8.150 nan 0.000 0.498 310 A N 2.300 125.128 122.820 0.012 0.000 2.586 310 A HA 0.692 5.012 4.320 -0.001 0.000 0.291 310 A C -0.875 176.709 177.584 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 -0.014 0.000 1.281 310 A HN 0.906 nan 8.150 nan 0.000 0.421 311 K N 1.662 122.056 120.400 -0.011 0.000 2.316 311 K HA 0.598 4.918 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 -0.308 55.978 56.287 -0.001 0.000 0.896 311 K CB 0.394 32.886 32.500 -0.014 0.000 1.124 311 K HN 0.620 nan 8.250 nan 0.000 0.451 312 M N 2.992 122.608 119.600 0.026 0.000 2.274 312 M HA 0.212 4.692 4.480 -0.001 0.000 0.344 312 M C 0.322 176.671 176.300 0.081 0.000 1.161 312 M CA -0.738 54.573 55.300 0.019 0.000 1.126 312 M CB 0.449 33.086 32.600 0.061 0.000 1.522 312 M HN 0.717 nan 8.290 nan 0.000 0.461 313 N N 1.050 119.820 118.700 0.117 0.000 2.381 313 N HA 0.057 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 52.903 53.050 0.152 0.000 0.942 313 N CB 0.427 39.015 38.487 0.169 0.000 1.190 313 N HN 0.426 nan 8.380 nan 0.000 0.495 314 D N -0.331 120.140 120.400 0.119 0.000 2.182 314 D HA -0.155 4.484 4.640 -0.001 0.000 0.201 314 D C 1.578 177.916 176.300 0.062 0.000 0.986 314 D CA 1.645 55.693 54.000 0.079 0.000 0.847 314 D CB -0.501 40.327 40.800 0.045 0.000 0.942 314 D HN 0.733 nan 8.370 nan 0.000 0.467 315 A N -0.137 122.734 122.820 0.085 0.000 2.070 315 A HA -0.137 4.183 4.320 -0.001 0.000 0.220 315 A C 1.235 178.648 177.584 -0.286 0.000 1.159 315 A CA 0.893 52.880 52.037 -0.085 0.000 0.656 315 A CB -0.472 18.477 19.000 -0.084 0.000 0.800 315 A HN 0.171 nan 8.150 nan 0.000 0.453 316 F N -1.693 118.257 119.950 0.000 0.000 2.698 316 F HA 0.452 4.978 4.527 -0.001 0.000 0.304 316 F C 1.581 177.376 175.800 -0.009 0.000 1.108 316 F CA 0.217 58.215 58.000 -0.004 0.000 1.263 316 F CB 0.546 39.546 39.000 0.001 0.000 1.013 316 F HN 0.288 nan 8.300 nan 0.000 0.532 317 G N -0.501 108.365 108.800 0.111 0.000 2.218 317 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.216 317 G HA3 -0.079 3.880 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 -0.129 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 -0.230 108.638 108.800 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 1.545 176.549 174.900 0.173 0.000 0.982 318 G CA 1.290 46.463 45.100 0.122 0.000 0.670 318 G HN 2.097 nan 8.290 nan 0.000 0.533 319 G N -0.631 108.250 108.800 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 0.333 175.380 174.900 0.246 0.000 1.237 319 G CA 1.066 46.277 45.100 0.185 0.000 0.946 319 G HN 1.896 nan 8.290 nan 0.000 0.522 320 S N -1.905 113.982 115.700 0.312 0.000 2.615 320 S HA 0.603 5.072 4.470 -0.001 0.000 0.269 320 S C -1.759 172.922 174.600 0.135 0.000 1.161 320 S CA -0.797 57.495 58.200 0.153 0.000 0.817 320 S CB 1.848 65.067 63.200 0.031 0.000 1.131 320 S HN 1.177 nan 8.310 nan 0.000 0.467 321 L N 1.453 122.716 121.223 0.067 0.000 2.406 321 L HA 0.759 5.098 4.340 -0.001 0.000 0.272 321 L C -0.920 175.953 176.870 0.006 0.000 0.980 321 L CA 0.219 55.092 54.840 0.054 0.000 0.831 321 L CB 1.852 43.955 42.059 0.073 0.000 1.253 321 L HN 0.958 nan 8.230 nan 0.000 0.406 322 T N 4.234 118.775 114.554 -0.022 0.000 2.797 322 T HA 0.869 5.219 4.350 -0.001 0.000 0.279 322 T C -0.404 174.257 174.700 -0.065 0.000 0.991 322 T CA -0.310 61.763 62.100 -0.045 0.000 0.979 322 T CB 1.466 70.295 68.868 -0.065 0.000 0.943 322 T HN 0.794 nan 8.240 nan 0.000 0.444 323 A N 3.284 126.073 122.820 -0.051 0.000 2.350 323 A HA 0.813 5.132 4.320 -0.001 0.000 0.324 323 A C -0.617 176.923 177.584 -0.074 0.000 1.118 323 A CA -0.744 51.237 52.037 -0.094 0.000 0.783 323 A CB 0.775 19.794 19.000 0.030 0.000 1.236 323 A HN 0.863 nan 8.150 nan 0.000 0.457 324 L N 3.981 125.124 121.223 -0.133 0.000 2.445 324 L HA 0.321 4.660 4.340 -0.001 0.000 0.252 324 L C -2.434 174.400 176.870 -0.059 0.000 1.105 324 L CA -1.724 53.073 54.840 -0.071 0.000 0.943 324 L CB 1.636 43.660 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 -0.541 176.761 177.300 0.004 0.000 1.238 325 P CA -0.195 62.952 63.100 0.079 0.000 0.794 325 P CB 1.988 33.717 31.700 0.049 0.000 0.955 326 V N 3.984 123.892 119.914 -0.010 0.000 2.581 326 V HA 0.484 4.603 4.120 -0.001 0.000 0.303 326 V C 0.242 176.322 176.094 -0.023 0.000 1.041 326 V CA -0.598 61.697 62.300 -0.007 0.000 0.907 326 V CB 1.860 33.685 31.823 0.004 0.000 0.994 326 V HN 0.421 nan 8.190 nan 0.000 0.442 327 I N 2.871 123.440 120.570 -0.001 0.000 2.619 327 I HA 0.408 4.577 4.170 -0.001 0.000 0.292 327 I C -0.241 175.899 176.117 0.039 0.000 1.100 327 I CA -0.428 60.874 61.300 0.004 0.000 1.043 327 I CB 2.244 40.241 38.000 -0.005 0.000 1.239 327 I HN 0.823 nan 8.210 nan 0.000 0.420 328 E N 4.747 124.975 120.200 0.046 0.000 2.115 328 E HA 0.402 4.751 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 56.048 56.400 0.060 0.000 0.797 328 E CB 1.064 30.797 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 0.326 4.675 4.350 -0.001 0.000 0.277 329 T C -0.019 174.738 174.700 0.095 0.000 0.975 329 T CA -0.924 61.241 62.100 0.109 0.000 0.966 329 T CB 1.262 70.230 68.868 0.166 0.000 1.054 329 T HN 0.437 nan 8.240 nan 0.000 0.533 330 Q N -0.091 119.765 119.800 0.094 0.000 2.353 330 Q HA 0.552 4.891 4.340 -0.001 0.000 0.268 330 Q C -0.076 175.975 176.000 0.084 0.000 1.045 330 Q CA -0.722 55.129 55.803 0.080 0.000 0.811 330 Q CB 1.935 30.718 28.738 0.075 0.000 1.305 330 Q HN 1.278 nan 8.270 nan 0.000 0.447 331 A N 1.637 124.502 122.820 0.075 0.000 2.466 331 A HA -0.172 4.147 4.320 -0.001 0.000 0.295 331 A C 1.146 178.794 177.584 0.105 0.000 1.465 331 A CA 1.009 53.092 52.037 0.077 0.000 0.744 331 A CB -2.198 16.841 19.000 0.065 0.000 1.098 331 A HN 1.490 nan 8.150 nan 0.000 0.402 332 G N -0.242 108.637 108.800 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 46.532 45.100 0.229 0.000 0.846 332 G HN 1.705 nan 8.290 nan 0.000 0.512 333 D N -0.279 120.204 120.400 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 0.064 54.110 54.000 0.076 0.000 0.905 333 D CB 0.710 41.549 40.800 0.065 0.000 1.034 333 D HN 0.274 nan 8.370 nan 0.000 0.507 334 V N 1.294 121.159 119.914 -0.082 0.000 3.041 334 V HA -0.045 4.074 4.120 -0.001 0.000 0.260 334 V C 1.748 177.775 176.094 -0.111 0.000 1.105 334 V CA 0.850 63.035 62.300 -0.192 0.000 1.125 334 V CB -0.437 31.072 31.823 -0.523 0.000 0.730 334 V HN 0.355 nan 8.190 nan 0.000 0.479 335 S N 1.093 116.756 115.700 -0.062 0.000 2.461 335 S HA 0.317 4.786 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 0.480 58.664 58.200 -0.027 0.000 0.942 335 S CB -0.438 62.753 63.200 -0.015 0.000 0.776 335 S HN 0.916 nan 8.310 nan 0.000 0.514 336 A N 1.552 124.392 122.820 0.034 0.000 2.616 336 A HA -0.016 4.303 4.320 -0.001 0.000 0.234 336 A C 0.948 178.596 177.584 0.107 0.000 1.024 336 A CA 0.115 52.201 52.037 0.082 0.000 0.758 336 A CB -0.414 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 2.976 123.288 120.300 0.020 0.000 2.030 337 Y HA -0.304 4.246 4.550 -0.001 0.000 0.272 337 Y C 1.683 177.589 175.900 0.009 0.000 1.185 337 Y CA 2.738 60.848 58.100 0.016 0.000 1.120 337 Y CB -0.524 37.954 38.460 0.030 0.000 0.955 337 Y HN 0.602 nan 8.280 nan 0.000 0.495 338 I N 0.219 120.673 120.570 -0.194 0.000 2.113 338 I HA -0.202 3.968 4.170 -0.001 0.000 0.238 338 I C -0.621 175.415 176.117 -0.135 0.000 1.070 338 I CA 1.721 62.841 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 1.687 178.963 177.300 -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 -4.441 110.088 114.554 -0.041 0.000 2.904 340 T HA -0.081 4.268 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 1.104 63.187 62.100 -0.029 0.000 1.137 340 T CB -1.090 67.771 68.868 -0.012 0.000 0.879 340 T HN -0.036 nan 8.240 nan 0.000 0.467 341 N N 1.565 120.219 118.700 -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 1.447 54.492 53.050 -0.010 0.000 0.855 341 N CB -0.806 37.614 38.487 -0.111 0.000 1.033 341 N HN 0.380 nan 8.380 nan 0.000 0.423 342 V N 1.066 121.011 119.914 0.052 0.000 2.453 342 V HA -0.061 4.058 4.120 -0.001 0.000 0.247 342 V C 2.160 178.274 176.094 0.032 0.000 1.048 342 V CA 0.891 63.218 62.300 0.044 0.000 1.049 342 V CB -0.379 31.433 31.823 -0.018 0.000 0.672 342 V HN 0.260 nan 8.190 nan 0.000 0.457 343 I N 1.599 122.178 120.570 0.015 0.000 2.567 343 I HA -0.170 3.999 4.170 -0.001 0.000 0.257 343 I C 2.194 178.331 176.117 0.033 0.000 1.184 343 I CA 1.736 63.041 61.300 0.009 0.000 1.451 343 I CB -0.283 37.707 38.000 -0.016 0.000 1.089 343 I HN 0.493 nan 8.210 nan 0.000 0.441 344 S N -0.562 115.178 115.700 0.066 0.000 2.671 344 S HA 0.222 4.692 4.470 -0.001 0.000 0.220 344 S C 1.263 175.956 174.600 0.154 0.000 0.951 344 S CA -0.073 58.183 58.200 0.092 0.000 0.932 344 S CB -0.154 63.091 63.200 0.075 0.000 0.777 344 S HN 0.415 nan 8.310 nan 0.000 0.508 345 I N 1.043 121.686 120.570 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 0.165 38.190 38.000 0.042 0.000 1.432 345 I HN 0.355 nan 8.210 nan 0.000 0.454 346 T N -1.555 113.016 114.554 0.027 0.000 2.754 346 T HA 0.084 4.434 4.350 -0.001 0.000 0.286 346 T C 0.283 174.993 174.700 0.018 0.000 0.997 346 T CA -0.357 61.752 62.100 0.015 0.000 0.982 346 T CB 0.618 69.491 68.868 0.008 0.000 1.027 346 T HN 0.027 nan 8.240 nan 0.000 0.529 347 D N 0.827 121.233 120.400 0.011 0.000 2.690 347 D HA 0.422 5.061 4.640 -0.001 0.000 0.236 347 D C 0.914 177.220 176.300 0.009 0.000 1.218 347 D CA 0.327 54.332 54.000 0.009 0.000 0.829 347 D CB -0.414 40.388 40.800 0.002 0.000 1.009 347 D HN 0.990 nan 8.370 nan 0.000 0.482 348 G N 0.711 109.518 108.800 0.012 0.000 2.347 348 G HA2 0.174 4.133 3.960 -0.001 0.000 0.477 348 G HA3 0.174 4.133 3.960 -0.001 0.000 0.477 348 G C -1.799 173.113 174.900 0.020 0.000 1.349 348 G CA -1.018 44.091 45.100 0.015 0.000 1.000 348 G HN 0.091 nan 8.290 nan 0.000 0.605 349 Q N -1.269 118.550 119.800 0.031 0.000 2.435 349 Q HA 0.745 5.084 4.340 -0.001 0.000 0.282 349 Q C -0.731 175.314 176.000 0.075 0.000 1.020 349 Q CA -0.623 55.209 55.803 0.048 0.000 0.820 349 Q CB 2.159 30.927 28.738 0.051 0.000 1.436 349 Q HN 0.730 nan 8.270 nan 0.000 0.395 350 I N 1.984 122.609 120.570 0.092 0.000 2.390 350 I HA 0.389 4.558 4.170 -0.001 0.000 0.283 350 I C -1.149 175.073 176.117 0.175 0.000 1.016 350 I CA -0.721 60.642 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 8.121 128.081 119.950 0.017 0.000 2.404 351 F HA 0.553 5.079 4.527 -0.001 0.000 0.354 351 F C -0.846 174.970 175.800 0.026 0.000 1.122 351 F CA -0.752 57.260 58.000 0.020 0.000 1.080 351 F CB 0.742 39.754 39.000 0.020 0.000 1.131 351 F HN 0.196 nan 8.300 nan 0.000 0.471 352 L N 6.163 127.150 121.223 -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 -0.582 0.000 1.046 352 L CA -0.503 54.119 54.840 -0.364 0.000 0.805 352 L CB 1.390 43.359 42.059 -0.149 0.000 1.193 352 L HN 0.586 nan 8.230 nan 0.000 0.426 353 E N 0.261 120.206 120.200 -0.424 0.000 2.195 353 E HA 0.185 4.534 4.350 -0.001 0.000 0.271 353 E C 0.514 177.041 176.600 -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 -0.793 113.715 114.554 -0.075 0.000 2.951 354 T HA -0.149 4.200 4.350 -0.001 0.000 0.268 354 T C 1.502 176.291 174.700 0.147 0.000 1.073 354 T CA 1.029 63.116 62.100 -0.023 0.000 1.134 354 T CB 0.091 68.982 68.868 0.039 0.000 0.884 354 T HN 0.543 nan 8.240 nan 0.000 0.479 355 E N 1.073 121.346 120.200 0.121 0.000 2.031 355 E HA -0.120 4.229 4.350 -0.001 0.000 0.193 355 E C 2.200 178.884 176.600 0.140 0.000 0.994 355 E CA 1.190 57.682 56.400 0.153 0.000 0.800 355 E CB -0.336 29.422 29.700 0.096 0.000 0.752 355 E HN 0.588 nan 8.360 nan 0.000 0.447 356 L N 0.063 121.333 121.223 0.078 0.000 2.012 356 L HA -0.173 4.166 4.340 -0.001 0.000 0.210 356 L C 2.588 179.494 176.870 0.061 0.000 1.073 356 L CA 1.312 56.184 54.840 0.054 0.000 0.748 356 L CB -0.590 41.478 42.059 0.014 0.000 0.891 356 L HN 0.213 nan 8.230 nan 0.000 0.431 357 F N -0.053 119.823 119.950 -0.123 0.000 2.065 357 F HA -0.316 4.210 4.527 -0.001 0.000 0.298 357 F C 2.409 178.074 175.800 -0.225 0.000 1.112 357 F CA 1.708 59.574 58.000 -0.223 0.000 1.212 357 F CB -0.430 38.346 39.000 -0.373 0.000 0.975 357 F HN -0.062 nan 8.300 nan 0.000 0.476 358 Y N 0.291 120.771 120.300 0.300 0.000 2.242 358 Y HA -0.143 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 1.548 59.761 58.100 0.188 0.000 1.181 358 Y CB -0.848 37.701 38.460 0.149 0.000 0.989 358 Y HN -0.004 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 1.485 178.108 176.600 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 32.237 32.500 0.081 0.000 0.762 359 K HN 0.526 nan 8.250 nan 0.000 0.472 360 G N 0.229 109.015 108.800 -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 0.044 174.878 174.900 -0.111 0.000 0.997 360 G CA -0.329 44.726 45.100 -0.075 0.000 0.640 360 G HN 0.105 nan 8.290 nan 0.000 0.496 361 I N 2.945 123.468 120.570 -0.079 0.000 2.455 361 I HA 0.270 4.439 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 0.478 61.735 61.300 -0.072 0.000 1.469 361 I CB -0.930 37.060 38.000 -0.017 0.000 1.480 361 I HN 0.181 nan 8.210 nan 0.000 0.669 362 R N 6.247 126.637 120.500 -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 31.861 30.300 -0.420 0.000 1.171 362 R HN 0.157 nan 8.270 nan 0.000 0.445 363 P HA -0.051 nan 4.420 nan 0.000 0.267 363 P C -0.119 177.157 177.300 -0.040 0.000 1.200 363 P CA 0.159 63.226 63.100 -0.055 0.000 0.772 363 P CB 0.664 32.347 31.700 -0.029 0.000 0.855 364 A N 3.702 126.524 122.820 0.004 0.000 2.426 364 A HA 0.107 4.426 4.320 -0.001 0.000 0.247 364 A C 0.597 178.154 177.584 -0.045 0.000 1.389 364 A CA -0.136 51.900 52.037 -0.002 0.000 1.129 364 A CB -1.491 17.547 19.000 0.063 0.000 0.928 364 A HN 0.490 nan 8.150 nan 0.000 0.557 365 I N 1.195 121.750 120.570 -0.025 0.000 2.618 365 I HA -0.054 4.115 4.170 -0.001 0.000 0.284 365 I C 0.679 176.796 176.117 0.000 0.000 1.146 365 I CA -0.047 61.245 61.300 -0.013 0.000 1.425 365 I CB 0.386 38.393 38.000 0.012 0.000 1.383 365 I HN 0.329 nan 8.210 nan 0.000 0.562 366 N N 6.968 125.675 118.700 0.012 0.000 2.521 366 N HA 0.093 4.832 4.740 -0.001 0.000 0.236 366 N C 0.772 176.348 175.510 0.110 0.000 1.067 366 N CA -0.092 53.000 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 3.959 123.923 119.914 0.083 0.000 2.233 367 V HA -0.299 3.820 4.120 -0.001 0.000 0.252 367 V C 2.396 178.538 176.094 0.080 0.000 1.063 367 V CA 2.572 64.918 62.300 0.077 0.000 1.032 367 V CB -1.087 30.782 31.823 0.076 0.000 0.645 367 V HN 0.759 nan 8.190 nan 0.000 0.446 368 G N -0.663 108.186 108.800 0.082 0.000 2.491 368 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.218 368 G HA3 -0.241 3.718 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 1.209 46.352 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 -0.186 54.713 54.840 0.098 0.000 0.850 369 L CB -0.035 42.115 42.059 0.152 0.000 0.966 369 L HN 0.053 nan 8.230 nan 0.000 0.454 370 S N 0.056 115.829 115.700 0.122 0.000 2.610 370 S HA 0.560 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 2.096 65.361 63.200 0.107 0.000 0.962 370 S HN 0.095 nan 8.310 nan 0.000 0.523 371 V N -0.957 118.983 119.914 0.043 0.000 3.206 371 V HA 0.946 5.065 4.120 -0.001 0.000 0.305 371 V C -0.737 175.371 176.094 0.023 0.000 1.257 371 V CA -0.861 61.456 62.300 0.028 0.000 1.057 371 V CB 1.790 33.624 31.823 0.019 0.000 1.075 371 V HN 0.784 nan 8.190 nan 0.000 0.443 372 S N 0.549 116.259 115.700 0.016 0.000 2.733 372 S HA 0.520 4.989 4.470 -0.001 0.000 0.294 372 S C 0.375 174.980 174.600 0.007 0.000 1.149 372 S CA -0.766 57.440 58.200 0.010 0.000 1.034 372 S CB 1.663 64.868 63.200 0.007 0.000 1.015 372 S HN 0.855 nan 8.310 nan 0.000 0.486 373 R N 3.169 123.673 120.500 0.006 0.000 2.323 373 R HA 0.104 4.443 4.340 -0.001 0.000 0.198 373 R C 1.026 177.327 176.300 0.001 0.000 0.988 373 R CA 0.443 56.546 56.100 0.005 0.000 1.041 373 R CB -0.148 30.156 30.300 0.007 0.000 0.926 373 R HN 0.509 nan 8.270 nan 0.000 0.476 374 V N 0.140 120.052 119.914 -0.002 0.000 2.992 374 V HA 0.106 4.226 4.120 -0.001 0.000 0.250 374 V C 1.349 177.440 176.094 -0.005 0.000 1.090 374 V CA 1.090 63.386 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 1.149 109.948 108.800 -0.002 0.000 2.601 375 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.252 375 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.252 375 G C 0.963 175.860 174.900 -0.004 0.000 1.294 375 G CA 0.572 45.671 45.100 -0.001 0.000 0.912 375 G HN 0.831 nan 8.290 nan 0.000 0.574 376 S N -0.332 115.367 115.700 -0.003 0.000 2.474 376 S HA 0.231 4.700 4.470 -0.001 0.000 0.235 376 S C 2.574 177.169 174.600 -0.008 0.000 0.997 376 S CA 1.623 59.821 58.200 -0.003 0.000 0.949 376 S CB -0.348 62.852 63.200 -0.000 0.000 0.766 376 S HN 2.173 nan 8.310 nan 0.000 0.517 377 A N 1.210 124.025 122.820 -0.009 0.000 2.194 377 A HA 0.305 4.625 4.320 -0.001 0.000 0.220 377 A C 2.031 179.603 177.584 -0.021 0.000 1.162 377 A CA 1.342 53.371 52.037 -0.013 0.000 0.674 377 A CB -0.863 18.130 19.000 -0.012 0.000 0.789 377 A HN 0.912 nan 8.150 nan 0.000 0.470 378 A N -1.556 121.251 122.820 -0.022 0.000 2.465 378 A HA 0.389 4.708 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 51.790 52.037 -0.034 0.000 0.920 378 A CB 0.100 19.079 19.000 -0.035 0.000 1.033 378 A HN 0.554 nan 8.150 nan 0.000 0.516 379 Q N 0.667 120.455 119.800 -0.021 0.000 2.309 379 Q HA 0.426 4.765 4.340 -0.001 0.000 0.264 379 Q C 0.041 176.033 176.000 -0.012 0.000 1.008 379 Q CA -0.512 55.282 55.803 -0.015 0.000 0.853 379 Q CB 1.848 30.583 28.738 -0.005 0.000 1.314 379 Q HN 0.474 nan 8.270 nan 0.000 0.448 380 T N -0.706 113.843 114.554 -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 0.825 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 1.523 122.026 120.500 0.004 0.000 2.120 381 R HA 0.069 4.408 4.340 -0.001 0.000 0.234 381 R C 2.796 179.106 176.300 0.018 0.000 1.123 381 R CA 1.501 57.607 56.100 0.010 0.000 0.975 381 R CB -1.082 29.224 30.300 0.009 0.000 0.866 381 R HN 0.857 nan 8.270 nan 0.000 0.446 382 A N 0.552 123.382 122.820 0.017 0.000 1.865 382 A HA -0.265 4.054 4.320 -0.001 0.000 0.217 382 A C 2.119 179.724 177.584 0.036 0.000 1.191 382 A CA 1.906 53.959 52.037 0.026 0.000 0.623 382 A CB -0.512 18.499 19.000 0.018 0.000 0.826 382 A HN 0.300 nan 8.150 nan 0.000 0.444 383 M N -0.206 119.411 119.600 0.028 0.000 2.099 383 M HA -0.090 4.390 4.480 -0.001 0.000 0.262 383 M C 2.019 178.335 176.300 0.027 0.000 1.067 383 M CA 2.327 57.645 55.300 0.030 0.000 1.124 383 M CB -0.403 32.210 32.600 0.022 0.000 1.353 383 M HN 0.416 nan 8.290 nan 0.000 0.410 384 K N -0.497 119.914 120.400 0.019 0.000 2.074 384 K HA -0.260 4.059 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 2.076 58.372 56.287 0.015 0.000 0.926 384 K CB -0.201 32.305 32.500 0.010 0.000 0.713 384 K HN 0.571 nan 8.250 nan 0.000 0.444 385 Q N -0.009 119.809 119.800 0.030 0.000 2.030 385 Q HA -0.176 4.164 4.340 -0.001 0.000 0.204 385 Q C 2.225 178.252 176.000 0.045 0.000 0.986 385 Q CA 2.272 58.099 55.803 0.040 0.000 0.843 385 Q CB -0.186 28.586 28.738 0.056 0.000 0.904 385 Q HN 0.411 nan 8.270 nan 0.000 0.420 386 V N -2.712 117.238 119.914 0.060 0.000 2.407 386 V HA 0.074 4.193 4.120 -0.001 0.000 0.245 386 V C 1.619 177.725 176.094 0.020 0.000 1.041 386 V CA 1.587 63.921 62.300 0.057 0.000 1.040 386 V CB -0.557 31.326 31.823 0.100 0.000 0.671 386 V HN 0.237 nan 8.190 nan 0.000 0.455 387 A N 0.401 123.233 122.820 0.020 0.000 2.460 387 A HA 0.585 4.905 4.320 -0.001 0.000 0.258 387 A C 1.929 179.515 177.584 0.004 0.000 1.300 387 A CA 0.513 52.555 52.037 0.008 0.000 0.913 387 A CB -0.701 18.307 19.000 0.013 0.000 1.031 387 A HN 0.628 nan 8.150 nan 0.000 0.512 388 G N 0.549 109.351 108.800 0.004 0.000 2.469 388 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.219 388 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.219 388 G C 1.459 176.358 174.900 -0.002 0.000 1.150 388 G CA 1.999 47.100 45.100 0.002 0.000 0.763 388 G HN 0.778 nan 8.290 nan 0.000 0.561 389 T N -3.235 111.315 114.554 -0.007 0.000 3.040 389 T HA 0.288 4.638 4.350 -0.001 0.000 0.266 389 T C 2.069 176.765 174.700 -0.008 0.000 1.005 389 T CA 0.544 62.639 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 0.133 nan 8.240 nan 0.000 0.531 390 M N 1.315 120.909 119.600 -0.011 0.000 2.108 390 M HA -0.148 4.331 4.480 -0.001 0.000 0.257 390 M C 2.320 178.623 176.300 0.005 0.000 1.071 390 M CA 1.844 57.137 55.300 -0.011 0.000 1.093 390 M CB -0.222 32.370 32.600 -0.013 0.000 1.345 390 M HN 0.263 nan 8.290 nan 0.000 0.403 391 K N 0.290 120.698 120.400 0.012 0.000 1.991 391 K HA -0.177 4.142 4.320 -0.001 0.000 0.212 391 K C 1.699 178.316 176.600 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 0.533 121.769 121.223 0.021 0.000 2.456 392 L HA -0.121 4.218 4.340 -0.001 0.000 0.224 392 L C 2.368 179.255 176.870 0.029 0.000 1.148 392 L CA 0.817 55.670 54.840 0.022 0.000 0.825 392 L CB -0.292 41.774 42.059 0.012 0.000 0.937 392 L HN 0.397 nan 8.230 nan 0.000 0.450 393 E N 0.759 120.975 120.200 0.026 0.000 2.051 393 E HA -0.154 4.195 4.350 -0.001 0.000 0.189 393 E C 2.348 178.995 176.600 0.079 0.000 0.979 393 E CA 0.656 57.074 56.400 0.030 0.000 0.803 393 E CB 0.076 29.776 29.700 -0.001 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 -0.127 4.212 4.340 -0.001 0.000 0.209 394 L C 2.536 179.514 176.870 0.180 0.000 1.094 394 L CA 0.910 55.852 54.840 0.171 0.000 0.763 394 L CB -0.350 41.782 42.059 0.121 0.000 0.908 394 L HN 0.227 nan 8.230 nan 0.000 0.437 395 A N -0.702 122.177 122.820 0.099 0.000 1.845 395 A HA -0.226 4.093 4.320 -0.001 0.000 0.215 395 A C 2.192 179.808 177.584 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 18.547 19.000 0.042 0.000 0.832 395 A HN 0.347 nan 8.150 nan 0.000 0.443 396 Q N -1.712 118.124 119.800 0.060 0.000 2.364 396 Q HA -0.176 4.164 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 1.556 57.387 55.803 0.048 0.000 0.885 396 Q CB -0.376 28.386 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 1.110 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 0.421 120.716 120.500 -0.343 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 1.428 57.282 56.100 -0.409 0.000 0.968 398 R CB -0.345 29.861 30.300 -0.155 0.000 0.861 398 R HN 0.338 nan 8.270 nan 0.000 0.440 399 E N 0.756 120.892 120.200 -0.106 0.000 2.001 399 E HA -0.159 4.190 4.350 -0.001 0.000 0.195 399 E C 2.037 178.627 176.600 -0.018 0.000 1.002 399 E CA 2.058 58.432 56.400 -0.044 0.000 0.819 399 E CB -0.194 29.486 29.700 -0.034 0.000 0.769 399 E HN 0.153 nan 8.360 nan 0.000 0.454 400 V N 0.667 120.577 119.914 -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 2.243 64.581 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 0.335 nan 8.190 nan 0.000 0.455 401 A N 0.488 123.240 122.820 -0.113 0.000 1.978 401 A HA 0.019 4.338 4.320 -0.001 0.000 0.220 401 A C 2.413 179.965 177.584 -0.054 0.000 1.170 401 A CA 2.383 54.336 52.037 -0.140 0.000 0.636 401 A CB -0.765 17.982 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 0.112 4.431 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 1.149 53.229 52.037 0.072 0.000 0.613 402 A CB -0.747 18.299 19.000 0.077 0.000 0.846 402 A HN 0.616 nan 8.150 nan 0.000 0.446 403 F N 0.876 120.795 119.950 -0.053 0.000 2.481 403 F HA -0.011 4.515 4.527 -0.001 0.000 0.297 403 F C 1.614 177.079 175.800 -0.558 0.000 1.095 403 F CA 0.752 58.650 58.000 -0.171 0.000 1.465 403 F CB -0.021 38.896 39.000 -0.138 0.000 1.098 403 F HN 0.198 nan 8.300 nan 0.000 0.585 404 A N -0.571 121.974 122.820 -0.459 0.000 2.610 404 A HA 0.239 4.558 4.320 -0.001 0.000 0.291 404 A C 1.095 178.521 177.584 -0.263 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 0.384 nan 8.150 nan 0.000 0.530 405 Q N 0.454 120.289 119.800 0.058 0.000 2.425 405 Q HA 0.143 4.482 4.340 -0.001 0.000 0.213 405 Q C -1.059 175.244 176.000 0.505 0.000 0.950 405 Q CA 0.295 56.267 55.803 0.282 0.000 0.979 405 Q CB -0.750 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 -4.534 115.362 119.950 -0.091 0.000 3.667 406 F HA 0.308 4.834 4.527 -0.001 0.000 0.396 406 F C 0.245 175.973 175.800 -0.120 0.000 1.173 406 F CA -2.106 55.833 58.000 -0.101 0.000 1.453 406 F CB -0.405 38.522 39.000 -0.122 0.000 2.117 406 F HN -0.104 nan 8.300 nan 0.000 0.789 407 G N 1.693 110.461 108.800 -0.053 0.000 2.615 407 G HA2 0.119 4.078 3.960 -0.001 0.000 0.273 407 G HA3 0.119 4.078 3.960 -0.001 0.000 0.273 407 G C 0.149 174.968 174.900 -0.135 0.000 0.657 407 G CA 0.062 45.097 45.100 -0.107 0.000 2.071 407 G HN 0.648 nan 8.290 nan 0.000 0.562 408 S N 1.980 117.516 115.700 -0.273 0.000 2.858 408 S HA 0.142 4.611 4.470 -0.001 0.000 0.328 408 S C 0.616 175.137 174.600 -0.132 0.000 1.149 408 S CA 0.425 58.484 58.200 -0.236 0.000 1.421 408 S CB -0.368 62.535 63.200 -0.495 0.000 1.461 408 S HN 0.907 nan 8.310 nan 0.000 0.587 409 D N 0.621 120.981 120.400 -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 -0.029 0.000 1.269 409 D CA 0.418 54.398 54.000 -0.034 0.000 0.694 409 D CB -1.440 39.350 40.800 -0.016 0.000 0.910 409 D HN 0.510 nan 8.370 nan 0.000 0.389 410 L N 1.237 122.439 121.223 -0.036 0.000 2.319 410 L HA 0.247 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 -0.784 54.045 54.840 -0.018 0.000 0.828 410 L CB 0.480 42.521 42.059 -0.030 0.000 1.150 410 L HN 0.329 nan 8.230 nan 0.000 0.442 411 D N 3.136 123.540 120.400 0.006 0.000 2.058 411 D HA -0.018 4.621 4.640 -0.001 0.000 0.258 411 D C 0.835 177.136 176.300 0.002 0.000 1.192 411 D CA 0.241 54.244 54.000 0.005 0.000 0.967 411 D CB 0.808 41.613 40.800 0.008 0.000 1.217 411 D HN 0.505 nan 8.370 nan 0.000 0.515 412 A N -0.570 122.249 122.820 -0.000 0.000 1.938 412 A HA 0.366 4.685 4.320 -0.001 0.000 0.207 412 A C 2.256 179.837 177.584 -0.004 0.000 1.292 412 A CA 1.348 53.382 52.037 -0.004 0.000 0.700 412 A CB -1.022 17.973 19.000 -0.008 0.000 0.947 412 A HN 0.627 nan 8.150 nan 0.000 0.476 413 A N 0.132 122.950 122.820 -0.004 0.000 2.042 413 A HA -0.201 4.119 4.320 -0.001 0.000 0.222 413 A C 2.323 179.909 177.584 0.003 0.000 1.167 413 A CA 2.793 54.827 52.037 -0.005 0.000 0.649 413 A CB -1.187 17.810 19.000 -0.005 0.000 0.809 413 A HN 0.855 nan 8.150 nan 0.000 0.457 414 T N -4.061 110.501 114.554 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 -0.079 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 -0.178 119.630 119.800 0.014 0.000 2.187 415 Q HA -0.006 4.333 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 0.809 56.617 55.803 0.008 0.000 0.857 415 Q CB -0.008 28.729 28.738 -0.001 0.000 0.929 415 Q HN 0.376 nan 8.270 nan 0.000 0.453 416 Q N 0.102 119.895 119.800 -0.011 0.000 2.123 416 Q HA -0.123 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 0.341 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 2.073 178.959 176.870 0.026 0.000 1.083 417 L CA 1.511 56.357 54.840 0.010 0.000 0.752 417 L CB -0.662 41.428 42.059 0.050 0.000 0.899 417 L HN 0.180 nan 8.230 nan 0.000 0.433 418 L N -1.634 119.631 121.223 0.071 0.000 2.240 418 L HA -0.074 4.266 4.340 -0.001 0.000 0.211 418 L C 2.348 179.205 176.870 -0.022 0.000 1.106 418 L CA 0.828 55.748 54.840 0.134 0.000 0.793 418 L CB -0.509 41.646 42.059 0.160 0.000 0.927 418 L HN 0.136 nan 8.230 nan 0.000 0.446 419 S N -0.753 114.916 115.700 -0.052 0.000 2.387 419 S HA -0.057 4.413 4.470 -0.001 0.000 0.226 419 S C 2.118 176.630 174.600 -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 63.097 63.200 -0.061 0.000 0.814 419 S HN 0.269 nan 8.310 nan 0.000 0.477 420 R N 1.132 121.526 120.500 -0.177 0.000 2.057 420 R HA 0.065 4.404 4.340 -0.001 0.000 0.229 420 R C 2.605 178.693 176.300 -0.354 0.000 1.136 420 R CA 1.361 57.331 56.100 -0.216 0.000 0.952 420 R CB -1.492 28.698 30.300 -0.184 0.000 0.848 420 R HN 0.464 nan 8.270 nan 0.000 0.430 421 G N 0.746 109.188 108.800 -0.596 0.000 2.599 421 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.219 421 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.219 421 G C 1.550 175.853 174.900 -0.996 0.000 1.193 421 G CA 1.697 45.978 45.100 -1.365 0.000 0.778 421 G HN 0.232 nan 8.290 nan 0.000 0.589 422 V N 1.250 120.813 119.914 -0.587 0.000 2.343 422 V HA -0.184 3.935 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 2.053 64.244 62.300 -0.182 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 0.098 120.506 120.500 -0.153 0.000 2.081 423 R HA -0.038 4.301 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 1.287 57.322 56.100 -0.109 0.000 0.960 423 R CB -0.969 29.259 30.300 -0.122 0.000 0.856 423 R HN 0.431 nan 8.270 nan 0.000 0.436 424 L N 0.487 121.625 121.223 -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 63.087 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 0.954 121.152 120.200 -0.004 0.000 2.107 426 E HA 0.059 4.408 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 0.579 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 0.459 nan 8.360 nan 0.000 0.459 427 L N 0.416 121.645 121.223 0.009 0.000 2.156 427 L HA -0.078 4.261 4.340 -0.001 0.000 0.208 427 L C 2.288 179.167 176.870 0.015 0.000 1.095 427 L CA 0.543 55.396 54.840 0.021 0.000 0.770 427 L CB -0.202 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 -0.691 120.536 121.223 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 0.305 55.148 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 0.768 121.165 120.400 -0.005 0.000 2.219 429 K HA 0.276 4.596 4.320 -0.001 0.000 0.258 429 K C -0.140 176.445 176.600 -0.025 0.000 1.008 429 K CA 0.196 56.470 56.287 -0.022 0.000 0.928 429 K CB 0.746 33.234 32.500 -0.020 0.000 0.983 429 K HN 0.012 nan 8.250 nan 0.000 0.484 430 Q N -0.807 118.966 119.800 -0.044 0.000 2.594 430 Q HA 0.274 4.613 4.340 -0.001 0.000 0.278 430 Q C -0.944 175.018 176.000 -0.063 0.000 0.961 430 Q CA -0.549 55.229 55.803 -0.041 0.000 0.844 430 Q CB 1.844 30.560 28.738 -0.037 0.000 1.475 430 Q HN 0.823 nan 8.270 nan 0.000 0.389 431 G N 0.715 109.484 108.800 -0.052 0.000 2.510 431 G HA2 0.398 4.357 3.960 -0.001 0.000 0.280 431 G HA3 0.398 4.357 3.960 -0.001 0.000 0.280 431 G C -0.746 174.094 174.900 -0.101 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 -1.606 118.117 119.800 -0.129 0.000 2.226 432 Q HA 0.376 4.715 4.340 -0.001 0.000 0.256 432 Q C -0.747 175.114 176.000 -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 -0.629 0.000 1.282 432 Q HN 0.540 nan 8.270 nan 0.000 0.449 433 Y N -1.428 118.866 120.300 -0.010 0.000 4.881 433 Y HA -0.260 4.289 4.550 -0.001 0.000 0.241 433 Y C 0.181 176.072 175.900 -0.014 0.000 0.985 433 Y CA 0.789 58.881 58.100 -0.013 0.000 1.976 433 Y CB -1.965 36.487 38.460 -0.015 0.000 1.528 433 Y HN 0.345 nan 8.280 nan 0.000 0.581 434 S N 0.399 116.138 115.700 0.065 0.000 2.143 434 S HA 0.363 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 -0.976 57.248 58.200 0.039 0.000 1.253 434 S CB 0.563 63.781 63.200 0.030 0.000 1.137 434 S HN -0.016 nan 8.310 nan 0.000 0.457 435 P HA 0.055 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 0.493 63.591 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 2.095 121.689 119.600 -0.009 0.000 2.291 436 M HA 0.484 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 -0.719 54.571 55.300 -0.016 0.000 1.104 436 M CB 1.085 33.679 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 0.282 4.601 4.320 -0.001 0.000 0.268 437 A C 0.910 178.496 177.584 0.003 0.000 1.100 437 A CA -0.541 51.480 52.037 -0.025 0.000 0.803 437 A CB 0.158 19.126 19.000 -0.054 0.000 1.043 437 A HN 0.933 nan 8.150 nan 0.000 0.488 438 I N 1.131 121.721 120.570 0.033 0.000 2.145 438 I HA -0.297 3.872 4.170 -0.001 0.000 0.244 438 I C 2.597 178.724 176.117 0.016 0.000 1.075 438 I CA 2.619 63.939 61.300 0.034 0.000 1.332 438 I CB -0.219 37.812 38.000 0.051 0.000 1.033 438 I HN 0.865 nan 8.210 nan 0.000 0.410 439 E N 0.153 120.354 120.200 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 1.613 58.005 56.400 -0.014 0.000 0.821 439 E CB -0.671 29.010 29.700 -0.031 0.000 0.750 439 E HN 0.653 nan 8.360 nan 0.000 0.477 440 E N 0.893 121.078 120.200 -0.025 0.000 2.072 440 E HA -0.149 4.200 4.350 -0.001 0.000 0.191 440 E C 2.350 178.956 176.600 0.010 0.000 0.985 440 E CA 1.499 57.882 56.400 -0.029 0.000 0.801 440 E CB 0.029 29.704 29.700 -0.042 0.000 0.750 440 E HN 0.400 nan 8.360 nan 0.000 0.452 441 Q N 0.067 119.878 119.800 0.019 0.000 1.993 441 Q HA -0.157 4.182 4.340 -0.001 0.000 0.202 441 Q C 2.413 178.449 176.000 0.061 0.000 0.984 441 Q CA 1.674 57.500 55.803 0.037 0.000 0.837 441 Q CB -0.268 28.488 28.738 0.031 0.000 0.902 441 Q HN 0.186 nan 8.270 nan 0.000 0.423 442 V N 1.666 121.612 119.914 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 1.961 64.308 62.300 0.079 0.000 1.032 442 V CB -1.289 30.563 31.823 0.049 0.000 0.645 442 V HN 0.437 nan 8.190 nan 0.000 0.447 443 A N 0.506 123.381 122.820 0.092 0.000 1.859 443 A HA -0.211 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 2.797 54.934 52.037 0.167 0.000 0.629 443 A CB -0.980 18.069 19.000 0.082 0.000 0.830 443 A HN 0.737 nan 8.150 nan 0.000 0.446 444 V N -0.837 119.228 119.914 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 -0.780 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 -0.129 120.516 120.570 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 -1.777 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 2.490 122.811 120.300 0.036 0.000 2.030 446 Y HA -0.375 4.174 4.550 -0.001 0.000 0.272 446 Y C 2.731 178.658 175.900 0.045 0.000 1.185 446 Y CA 2.478 60.606 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 0.048 122.990 122.820 0.204 0.000 1.927 447 A HA -0.227 4.092 4.320 -0.001 0.000 0.220 447 A C 2.468 180.007 177.584 -0.074 0.000 1.185 447 A CA 2.283 54.375 52.037 0.092 0.000 0.639 447 A CB -1.784 17.205 19.000 -0.017 0.000 0.820 447 A HN 0.678 nan 8.150 nan 0.000 0.451 448 G N -1.134 107.615 108.800 -0.084 0.000 2.404 448 G HA2 -0.011 3.948 3.960 -0.001 0.000 0.213 448 G HA3 -0.011 3.948 3.960 -0.001 0.000 0.213 448 G C 1.464 176.244 174.900 -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 1.018 120.816 119.914 -0.193 0.000 2.568 449 V HA -0.100 4.019 4.120 -0.001 0.000 0.253 449 V C 2.699 178.601 176.094 -0.320 0.000 1.072 449 V CA 1.408 63.581 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 0.217 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 0.708 56.366 56.100 -0.738 0.000 1.054 450 R CB -0.318 29.309 30.300 -1.120 0.000 0.985 450 R HN 0.572 nan 8.270 nan 0.000 0.489 451 G N 0.336 108.808 108.800 -0.548 0.000 2.199 451 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.254 451 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.254 451 G C 0.554 175.233 174.900 -0.368 0.000 0.982 451 G CA 0.381 45.237 45.100 -0.407 0.000 0.632 451 G HN 0.330 nan 8.290 nan 0.000 0.529 452 Y N 0.374 120.573 120.300 -0.168 0.000 2.483 452 Y HA 0.178 4.727 4.550 -0.001 0.000 0.291 452 Y C 2.633 178.415 175.900 -0.196 0.000 1.143 452 Y CA 1.325 59.334 58.100 -0.151 0.000 1.289 452 Y CB -0.286 38.098 38.460 -0.127 0.000 0.983 452 Y HN 0.408 nan 8.280 nan 0.000 0.556 453 L N -0.706 120.437 121.223 -0.134 0.000 2.640 453 L HA 0.091 4.430 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 0.030 54.748 54.840 -0.204 0.000 0.900 453 L CB -0.077 41.830 42.059 -0.254 0.000 1.146 453 L HN -0.032 nan 8.230 nan 0.000 0.484 454 D N 1.129 121.451 120.400 -0.131 0.000 2.354 454 D HA -0.139 4.500 4.640 -0.001 0.000 0.216 454 D C 1.648 177.899 176.300 -0.081 0.000 0.970 454 D CA 1.201 55.136 54.000 -0.109 0.000 0.905 454 D CB 0.152 40.887 40.800 -0.109 0.000 0.903 454 D HN 0.271 nan 8.370 nan 0.000 0.508 455 K N -0.561 119.794 120.400 -0.076 0.000 2.374 455 K HA 0.132 4.451 4.320 -0.001 0.000 0.202 455 K C 0.296 176.864 176.600 -0.054 0.000 1.040 455 K CA -0.454 55.801 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 1.497 122.671 121.223 -0.082 0.000 2.456 456 L HA 0.171 4.510 4.340 -0.001 0.000 0.257 456 L C -0.094 176.752 176.870 -0.040 0.000 1.162 456 L CA 0.061 54.859 54.840 -0.070 0.000 0.808 456 L CB 0.875 42.846 42.059 -0.147 0.000 1.136 456 L HN -0.035 nan 8.230 nan 0.000 0.466 457 E N 3.583 123.779 120.200 -0.006 0.000 2.229 457 E HA 0.185 4.534 4.350 -0.001 0.000 0.283 457 E C -1.861 174.746 176.600 0.013 0.000 1.030 457 E CA -1.783 54.619 56.400 0.004 0.000 0.836 457 E CB 1.409 31.119 29.700 0.016 0.000 1.068 457 E HN 0.496 nan 8.360 nan 0.000 0.401 458 P HA -0.306 nan 4.420 nan 0.000 0.219 458 P C 1.216 178.536 177.300 0.034 0.000 1.161 458 P CA 2.062 65.168 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 -1.276 114.447 115.700 0.039 0.000 2.420 459 S HA -0.178 4.291 4.470 -0.001 0.000 0.237 459 S C 1.728 176.378 174.600 0.082 0.000 1.023 459 S CA 1.140 59.371 58.200 0.052 0.000 0.991 459 S CB -0.827 62.399 63.200 0.043 0.000 0.792 459 S HN 0.123 nan 8.310 nan 0.000 0.488 460 K N 1.604 122.064 120.400 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 -0.806 31.812 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 2.142 178.369 176.117 0.184 0.000 1.048 461 I CA 1.802 63.189 61.300 0.144 0.000 1.314 461 I CB -1.002 37.035 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 -0.208 4.141 4.350 -0.001 0.000 0.266 462 T C 1.988 176.768 174.700 0.132 0.000 1.037 462 T CA 1.482 63.647 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 -0.139 120.372 120.400 0.185 0.000 2.057 463 K HA -0.096 4.223 4.320 -0.001 0.000 0.207 463 K C 2.087 178.834 176.600 0.244 0.000 1.049 463 K CA 1.251 57.679 56.287 0.236 0.000 0.931 463 K CB -0.299 32.389 32.500 0.314 0.000 0.714 463 K HN 0.327 nan 8.250 nan 0.000 0.440 464 F N 2.234 122.217 119.950 0.054 0.000 2.069 464 F HA -0.226 4.300 4.527 -0.001 0.000 0.298 464 F C 2.244 177.966 175.800 -0.131 0.000 1.113 464 F CA 2.002 59.774 58.000 -0.380 0.000 1.214 464 F CB -0.442 38.310 39.000 -0.413 0.000 0.978 464 F HN 0.129 nan 8.300 nan 0.000 0.474 465 E N 0.121 120.254 120.200 -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 0.101 118.765 118.700 -0.059 0.000 2.216 466 N HA -0.096 4.643 4.740 -0.001 0.000 0.183 466 N C 1.755 177.246 175.510 -0.033 0.000 1.017 466 N CA 0.992 54.028 53.050 -0.024 0.000 0.861 466 N CB -0.100 38.404 38.487 0.029 0.000 0.986 466 N HN 0.188 nan 8.380 nan 0.000 0.428 467 A N 1.340 124.153 122.820 -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 -0.035 0.000 1.195 467 A CA 0.903 53.017 52.037 0.128 0.000 0.611 467 A CB -1.057 18.138 19.000 0.326 0.000 0.835 467 A HN 0.245 nan 8.150 nan 0.000 0.443 468 F N 0.252 119.814 119.950 -0.646 0.000 2.043 468 F HA -0.203 4.323 4.527 -0.001 0.000 0.297 468 F C 1.902 177.324 175.800 -0.630 0.000 1.121 468 F CA 1.928 59.240 58.000 -1.145 0.000 1.199 468 F CB -0.551 37.636 39.000 -1.355 0.000 0.968 468 F HN 0.162 nan 8.300 nan 0.000 0.478 469 L N 0.131 121.093 121.223 -0.434 0.000 2.129 469 L HA -0.220 4.119 4.340 -0.001 0.000 0.212 469 L C 2.549 179.224 176.870 -0.326 0.000 1.087 469 L CA 1.856 56.465 54.840 -0.385 0.000 0.757 469 L CB -1.416 40.543 42.059 -0.167 0.000 0.896 469 L HN 0.196 nan 8.230 nan 0.000 0.434 470 S N -1.767 113.802 115.700 -0.219 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 1.318 59.453 58.200 -0.110 0.000 1.010 470 S CB -0.425 62.770 63.200 -0.007 0.000 0.891 470 S HN 0.659 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 -0.118 4.437 4.556 -0.001 0.000 0.294 471 H C 2.202 177.368 175.328 -0.270 0.000 1.071 471 H CA 2.485 58.382 56.048 -0.251 0.000 1.228 471 H CB -0.939 28.571 29.762 -0.420 0.000 1.358 471 H HN 0.196 nan 8.280 nan 0.000 0.495 472 V N -0.591 118.903 119.914 -0.700 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 1.388 121.795 120.570 -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 -0.127 0.000 1.100 473 I CA 2.071 63.268 61.300 -0.172 0.000 1.374 473 I CB -0.429 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 0.060 115.692 115.700 -0.112 0.000 2.317 474 S HA -0.155 4.314 4.470 -0.001 0.000 0.212 474 S C 1.935 176.481 174.600 -0.090 0.000 1.030 474 S CA 0.878 59.034 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 1.396 177.222 176.000 -0.289 0.000 0.980 475 Q CA 1.529 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 1.694 120.586 119.070 -0.297 0.000 2.996 476 H HA -0.039 4.516 4.556 -0.001 0.000 0.285 476 H C 1.087 176.297 175.328 -0.195 0.000 1.092 476 H CA 0.334 56.235 56.048 -0.245 0.000 1.221 476 H CB -0.715 28.856 29.762 -0.319 0.000 1.277 476 H HN 0.345 nan 8.280 nan 0.000 0.668 477 Q N -0.474 119.266 119.800 -0.100 0.000 2.561 477 Q HA -0.022 4.317 4.340 -0.001 0.000 0.217 477 Q C 1.912 177.869 176.000 -0.073 0.000 0.980 477 Q CA 0.763 56.514 55.803 -0.087 0.000 0.927 477 Q CB 0.133 28.821 28.738 -0.084 0.000 0.980 477 Q HN 0.574 nan 8.270 nan 0.000 0.525 478 A N 1.198 123.974 122.820 -0.074 0.000 1.970 478 A HA 0.005 4.324 4.320 -0.001 0.000 0.216 478 A C 1.929 179.485 177.584 -0.046 0.000 1.170 478 A CA 0.402 52.403 52.037 -0.060 0.000 0.645 478 A CB -0.255 18.704 19.000 -0.067 0.000 0.816 478 A HN 0.418 nan 8.150 nan 0.000 0.447 479 L N -0.572 120.628 121.223 -0.039 0.000 2.209 479 L HA 0.037 4.376 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 0.615 55.428 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 -0.557 120.623 121.223 -0.072 0.000 2.044 480 L HA -0.137 4.202 4.340 -0.001 0.000 0.205 480 L C 2.971 179.808 176.870 -0.056 0.000 1.075 480 L CA 1.367 56.161 54.840 -0.076 0.000 0.747 480 L CB -0.928 41.074 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 -0.205 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 1.391 59.567 58.200 -0.040 0.000 0.965 481 S CB -0.202 nan 63.200 nan 0.000 0.773 481 S HN 0.238 nan 8.310 nan 0.000 0.504 482 K N 0.105 120.484 120.400 -0.034 0.000 2.067 482 K HA 0.193 4.512 4.320 -0.001 0.000 0.203 482 K C 1.858 178.443 176.600 -0.025 0.000 1.048 482 K CA 0.644 56.915 56.287 -0.028 0.000 0.954 482 K CB -0.192 32.290 32.500 -0.029 0.000 0.737 482 K HN 0.473 nan 8.250 nan 0.000 0.444 483 I N 0.879 121.429 120.570 -0.033 0.000 2.179 483 I HA -0.314 3.855 4.170 -0.001 0.000 0.242 483 I C 2.718 178.825 176.117 -0.018 0.000 1.088 483 I CA 1.172 62.454 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 2.217 58.312 56.100 -0.008 0.000 0.945 484 R CB -0.345 29.948 30.300 -0.012 0.000 0.845 484 R HN 0.229 nan 8.270 nan 0.000 0.430 485 T N 0.948 115.497 114.554 -0.007 0.000 2.612 485 T HA -0.106 4.243 4.350 -0.001 0.000 0.259 485 T C 1.169 175.867 174.700 -0.004 0.000 1.065 485 T CA 1.647 63.745 62.100 -0.005 0.000 1.167 485 T CB -0.493 68.369 68.868 -0.009 0.000 0.863 485 T HN 0.318 nan 8.240 nan 0.000 0.407 486 D N 0.377 120.773 120.400 -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 1.547 55.544 54.000 -0.005 0.000 0.863 486 D CB -0.658 40.139 40.800 -0.006 0.000 0.928 486 D HN 0.601 nan 8.370 nan 0.000 0.458 487 G N -0.357 108.442 108.800 -0.002 0.000 2.184 487 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.264 487 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.264 487 G C 0.539 175.440 174.900 0.002 0.000 0.975 487 G CA 0.768 45.869 45.100 0.001 0.000 0.642 487 G HN 0.508 nan 8.290 nan 0.000 0.536 488 K N -0.479 119.921 120.400 0.001 0.000 2.349 488 K HA 0.788 5.107 4.320 -0.001 0.000 0.243 488 K C -0.763 175.838 176.600 0.002 0.000 1.058 488 K CA -1.174 55.116 56.287 0.006 0.000 0.871 488 K CB 1.171 33.675 32.500 0.006 0.000 1.337 488 K HN 0.081 nan 8.250 nan 0.000 0.469 489 I N 2.768 123.344 120.570 0.010 0.000 2.428 489 I HA 0.099 4.268 4.170 -0.001 0.000 0.279 489 I C 0.329 176.454 176.117 0.013 0.000 1.040 489 I CA -0.507 60.795 61.300 0.004 0.000 1.171 489 I CB 1.473 39.484 38.000 0.018 0.000 1.312 489 I HN 0.594 nan 8.210 nan 0.000 0.470 490 S N 3.548 119.249 115.700 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 0.831 64.032 63.200 0.001 0.000 0.961 490 S HN 0.571 nan 8.310 nan 0.000 0.582 491 E N 0.330 120.541 120.200 0.019 0.000 2.152 491 E HA -0.044 4.306 4.350 -0.001 0.000 0.192 491 E C 1.870 178.485 176.600 0.024 0.000 0.983 491 E CA 1.129 57.546 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 0.833 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 1.728 178.327 176.600 -0.002 0.000 0.979 492 E CA 0.744 57.149 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 -0.337 62.834 63.200 -0.049 0.000 0.844 493 S HN 0.396 nan 8.310 nan 0.000 0.459 494 D N 0.882 121.262 120.400 -0.032 0.000 2.182 494 D HA -0.045 4.594 4.640 -0.001 0.000 0.201 494 D C 1.763 178.087 176.300 0.040 0.000 0.986 494 D CA 1.166 55.165 54.000 -0.002 0.000 0.847 494 D CB -0.139 40.715 40.800 0.090 0.000 0.942 494 D HN 0.366 nan 8.370 nan 0.000 0.467 495 A N -0.257 122.582 122.820 0.032 0.000 1.935 495 A HA 0.013 4.332 4.320 -0.001 0.000 0.214 495 A C 2.074 179.669 177.584 0.018 0.000 1.178 495 A CA 1.105 53.168 52.037 0.043 0.000 0.640 495 A CB -0.363 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 0.059 4.378 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 1.189 57.473 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 0.453 nan 8.250 nan 0.000 0.442 497 L N 0.453 121.621 121.223 -0.091 0.000 2.027 497 L HA -0.150 4.189 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 1.602 56.354 54.840 -0.146 0.000 0.745 497 L CB -0.439 41.324 42.059 -0.493 0.000 0.898 497 L HN 0.256 nan 8.230 nan 0.000 0.433 498 K N 0.173 120.610 120.400 0.061 0.000 2.074 498 K HA -0.282 4.037 4.320 -0.001 0.000 0.209 498 K C 1.984 178.520 176.600 -0.108 0.000 1.048 498 K CA 1.864 58.156 56.287 0.009 0.000 0.926 498 K CB -0.080 32.468 32.500 0.079 0.000 0.713 498 K HN 0.283 nan 8.250 nan 0.000 0.444 499 E N 0.355 120.540 120.200 -0.025 0.000 2.031 499 E HA -0.201 4.148 4.350 -0.001 0.000 0.193 499 E C 2.082 178.700 176.600 0.031 0.000 0.994 499 E CA 1.694 58.094 56.400 -0.000 0.000 0.800 499 E CB -0.119 29.598 29.700 0.027 0.000 0.752 499 E HN 0.353 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 -0.288 3.881 4.170 -0.001 0.000 0.239 500 I C 2.710 178.957 176.117 0.216 0.000 1.066 500 I CA 1.344 62.699 61.300 0.092 0.000 1.324 500 I CB -0.706 37.247 38.000 -0.079 0.000 1.037 500 I HN 0.134 nan 8.210 nan 0.000 0.401 501 V N 0.668 120.697 119.914 0.192 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 2.822 65.215 62.300 0.156 0.000 1.010 501 V CB -1.537 30.272 31.823 -0.023 0.000 0.637 501 V HN 0.656 nan 8.190 nan 0.000 0.444 502 T N -0.736 113.757 114.554 -0.102 0.000 2.665 502 T HA -0.252 4.097 4.350 -0.001 0.000 0.268 502 T C 1.871 176.602 174.700 0.051 0.000 1.035 502 T CA 2.064 64.116 62.100 -0.081 0.000 1.151 502 T CB -0.911 67.855 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 4.775 4.740 -0.001 0.000 0.188 503 N C 1.571 177.193 175.510 0.187 0.000 1.034 503 N CA 1.076 54.198 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 0.442 nan 8.380 nan 0.000 0.425 504 F N 2.485 122.505 119.950 0.117 0.000 2.126 504 F HA -0.122 4.404 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 0.939 59.026 58.000 0.144 0.000 1.255 504 F CB -0.357 38.766 39.000 0.205 0.000 0.997 504 F HN -0.023 nan 8.300 nan 0.000 0.479 505 L N 0.278 121.777 121.223 0.461 0.000 2.013 505 L HA -0.269 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 2.186 57.218 54.840 0.320 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 -0.286 122.599 122.820 0.107 0.000 1.865 506 A HA -0.172 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 1.826 53.895 52.037 0.053 0.000 0.623 506 A CB -1.382 17.639 19.000 0.036 0.000 0.826 506 A HN 0.523 nan 8.150 nan 0.000 0.444 507 G N -1.626 107.167 108.800 -0.010 0.000 2.442 507 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.219 507 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.219 507 G C 1.457 176.300 174.900 -0.095 0.000 1.141 507 G CA 1.143 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 1.160 120.957 119.950 -0.255 0.000 2.171 508 F HA 0.071 4.597 4.527 -0.001 0.000 0.300 508 F C 2.154 177.909 175.800 -0.075 0.000 1.090 508 F CA 1.266 59.146 58.000 -0.201 0.000 1.293 508 F CB 0.207 39.151 39.000 -0.093 0.000 1.013 508 F HN 0.145 nan 8.300 nan 0.000 0.486 509 E N 0.942 121.150 120.200 0.013 0.000 2.311 509 E HA 0.226 4.576 4.350 -0.001 0.000 0.198 509 E C 0.570 177.114 176.600 -0.093 0.000 1.115 509 E CA -0.186 56.172 56.400 -0.070 0.000 1.140 509 E CB -0.136 29.577 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 18.945 19.000 -0.091 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486