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 2w6g_1_C DATA FIRST_RESID 19 DATA SEQUENCE ADTSVDLEET GRVLSIGDGI ARVHGLRNVQ AEEMVEFSSG LKGMSLNLEP DATA SEQUENCE DNVGVVVFGN DKLIKEGDIV KRTGAIVDVP VGEELLGRVV DALGNAIDGK DATA SEQUENCE GPIGSKARRR VGLKAPGIIP RISVREPMQT GIKAVDSLVP IGRGQRELII DATA SEQUENCE GDRQTGKTSI AIDTIINQKR FNDGTDEKKK LYCIYVAIGQ KRSTVAQLVK DATA SEQUENCE RLTDADAMKY TIVVSATASD AAPLQYLAPY SGCSMGEYFR DNGKHALIIY DATA SEQUENCE DDLSKQAVAY RQMSLLLRRP PGREAYPGDV FYLHSRLLER AAKMNDAFGG DATA SEQUENCE GSLTALPVIE TQAGDVSAYI PTNVISITDG QIFLETELFY KGIRPAINVG DATA SEQUENCE LSVSRVGSAA QTRAMKQVAG TMKLELAQYR EVAAFAQFGS DLDAATQQLL DATA SEQUENCE SRGVRLTELL KQGQYSPMAI EEQVAVIYAG VRGYLDKLEP SKITKFENAF DATA SEQUENCE LSHVISQHQA LLSKIRTDGK ISEESDAKLK EIVTNFLAGF EA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 19 A HA 0.000 nan 4.320 nan 0.000 0.244 19 A C 0.000 177.586 177.584 0.003 0.000 1.274 19 A CA 0.000 52.039 52.037 0.003 0.000 0.836 19 A CB 0.000 19.002 19.000 0.003 0.000 0.831 20 D N 2.376 122.779 120.400 0.004 0.000 2.412 20 D HA 0.214 4.854 4.640 -0.001 0.000 0.257 20 D C 1.021 177.323 176.300 0.004 0.000 1.217 20 D CA 1.471 55.473 54.000 0.004 0.000 0.897 20 D CB 0.767 41.570 40.800 0.005 0.000 1.132 20 D HN 0.520 nan 8.370 nan 0.000 0.493 21 T N -0.205 114.351 114.554 0.003 0.000 3.331 21 T HA 0.112 4.461 4.350 -0.001 0.000 0.282 21 T C 1.284 175.985 174.700 0.002 0.000 1.010 21 T CA -0.161 61.941 62.100 0.003 0.000 0.928 21 T CB -0.232 68.637 68.868 0.002 0.000 1.154 21 T HN 0.204 nan 8.240 nan 0.000 0.516 22 S N 0.306 116.007 115.700 0.002 0.000 2.470 22 S HA 0.121 4.590 4.470 -0.001 0.000 0.225 22 S C 0.912 175.512 174.600 0.000 0.000 1.006 22 S CA -0.082 58.118 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 4.289 124.205 119.914 0.003 0.000 2.737 23 V HA 0.223 4.343 4.120 -0.001 0.000 0.320 23 V C -0.481 175.618 176.094 0.008 0.000 1.174 23 V CA -0.889 61.414 62.300 0.005 0.000 1.355 23 V CB -0.430 31.398 31.823 0.009 0.000 1.558 23 V HN 0.516 nan 8.190 nan 0.000 0.618 24 D N 0.620 121.022 120.400 0.004 0.000 2.362 24 D HA 0.085 4.724 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 -0.510 53.493 54.000 0.004 0.000 0.907 24 D CB 1.881 42.680 40.800 -0.001 0.000 1.195 24 D HN 0.231 nan 8.370 nan 0.000 0.429 25 L N 0.565 121.790 121.223 0.003 0.000 2.718 25 L HA 0.057 4.397 4.340 -0.001 0.000 0.242 25 L C 1.435 178.284 176.870 -0.035 0.000 1.203 25 L CA 0.241 55.074 54.840 -0.012 0.000 1.011 25 L CB -0.464 41.590 42.059 -0.007 0.000 1.250 25 L HN 0.433 nan 8.230 nan 0.000 0.437 26 E N -0.394 119.791 120.200 -0.026 0.000 2.330 26 E HA -0.003 4.346 4.350 -0.001 0.000 0.200 26 E C 1.047 177.628 176.600 -0.032 0.000 0.922 26 E CA 0.249 56.630 56.400 -0.031 0.000 0.935 26 E CB 0.608 30.294 29.700 -0.022 0.000 0.917 26 E HN 0.342 nan 8.360 nan 0.000 0.491 27 E N 0.422 120.605 120.200 -0.028 0.000 2.562 27 E HA 0.063 4.413 4.350 -0.001 0.000 0.214 27 E C 0.367 176.944 176.600 -0.039 0.000 0.979 27 E CA 0.362 56.744 56.400 -0.031 0.000 1.002 27 E CB 1.455 31.141 29.700 -0.023 0.000 1.048 27 E HN 0.170 nan 8.360 nan 0.000 0.488 28 T N -2.490 112.042 114.554 -0.037 0.000 2.865 28 T HA 0.787 5.136 4.350 -0.001 0.000 0.294 28 T C 0.189 174.868 174.700 -0.035 0.000 1.119 28 T CA -0.563 61.512 62.100 -0.041 0.000 1.007 28 T CB 2.595 71.448 68.868 -0.025 0.000 1.225 28 T HN -0.008 nan 8.240 nan 0.000 0.515 29 G N 0.058 108.839 108.800 -0.033 0.000 2.721 29 G HA2 0.717 4.676 3.960 -0.001 0.000 0.296 29 G HA3 0.717 4.676 3.960 -0.001 0.000 0.296 29 G C -1.779 173.141 174.900 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 -0.618 119.938 120.500 0.093 0.000 2.621 30 R HA 0.488 4.828 4.340 -0.001 0.000 0.284 30 R C -0.870 175.494 176.300 0.107 0.000 0.998 30 R CA -0.756 55.396 56.100 0.086 0.000 0.895 30 R CB 2.692 33.035 30.300 0.073 0.000 1.195 30 R HN 0.339 nan 8.270 nan 0.000 0.450 31 V N 5.435 125.416 119.914 0.112 0.000 2.475 31 V HA -0.072 4.047 4.120 -0.001 0.000 0.292 31 V C 1.610 177.752 176.094 0.080 0.000 1.003 31 V CA 0.667 63.042 62.300 0.124 0.000 1.120 31 V CB 0.181 32.095 31.823 0.152 0.000 0.937 31 V HN 0.747 nan 8.190 nan 0.000 0.476 32 L N 3.981 125.251 121.223 0.078 0.000 2.131 32 L HA 0.081 4.421 4.340 -0.001 0.000 0.206 32 L C 0.967 177.855 176.870 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 -1.288 114.434 115.700 0.036 0.000 2.567 33 S HA 0.608 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 0.197 61.478 61.300 -0.031 0.000 1.038 34 I CB 1.647 39.615 38.000 -0.054 0.000 1.244 34 I HN 1.384 nan 8.210 nan 0.000 0.420 35 G N 4.423 113.196 108.800 -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 -0.041 0.000 0.912 35 G HN 0.693 nan 8.290 nan 0.000 0.553 36 D N -0.048 120.326 120.400 -0.044 0.000 2.751 36 D HA -0.179 4.460 4.640 -0.001 0.000 0.233 36 D C 1.657 177.925 176.300 -0.052 0.000 1.149 36 D CA 2.885 56.860 54.000 -0.042 0.000 0.682 36 D CB -1.106 39.671 40.800 -0.037 0.000 1.068 36 D HN 2.215 nan 8.370 nan 0.000 0.429 37 G N -1.112 107.647 108.800 -0.069 0.000 2.148 37 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.254 37 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.254 37 G C 0.153 174.994 174.900 -0.098 0.000 0.981 37 G CA 0.310 45.357 45.100 -0.088 0.000 0.670 37 G HN 0.475 nan 8.290 nan 0.000 0.528 38 I N 0.868 121.390 120.570 -0.080 0.000 2.418 38 I HA 0.675 4.845 4.170 -0.001 0.000 0.287 38 I C 0.475 176.566 176.117 -0.043 0.000 1.008 38 I CA -1.067 60.195 61.300 -0.062 0.000 1.104 38 I CB 1.265 39.236 38.000 -0.050 0.000 1.264 38 I HN 0.306 nan 8.210 nan 0.000 0.438 39 A N 7.661 130.475 122.820 -0.010 0.000 2.301 39 A HA 0.695 5.014 4.320 -0.001 0.000 0.312 39 A C 0.023 177.649 177.584 0.069 0.000 1.182 39 A CA -0.684 51.382 52.037 0.048 0.000 0.826 39 A CB 0.774 19.881 19.000 0.179 0.000 1.134 39 A HN 0.576 nan 8.150 nan 0.000 0.501 40 R N 2.660 123.197 120.500 0.062 0.000 2.471 40 R HA 0.301 4.641 4.340 -0.001 0.000 0.292 40 R C -0.862 175.488 176.300 0.083 0.000 1.192 40 R CA -0.289 55.844 56.100 0.057 0.000 1.257 40 R CB 0.566 30.889 30.300 0.038 0.000 1.130 40 R HN 0.507 nan 8.270 nan 0.000 0.558 41 V N 3.047 123.013 119.914 0.088 0.000 2.555 41 V HA 0.040 4.159 4.120 -0.001 0.000 0.286 41 V C 0.599 176.743 176.094 0.083 0.000 1.044 41 V CA -0.388 61.965 62.300 0.087 0.000 1.026 41 V CB 0.629 32.476 31.823 0.040 0.000 0.981 41 V HN 0.583 nan 8.190 nan 0.000 0.480 42 H N 2.839 121.915 119.070 0.010 0.000 2.483 42 H HA 0.672 5.227 4.556 -0.001 0.000 0.338 42 H C 0.542 175.867 175.328 -0.006 0.000 1.152 42 H CA 0.962 57.012 56.048 0.003 0.000 1.264 42 H CB 1.326 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 2.452 110.877 108.800 -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 0.013 174.814 174.900 -0.166 0.000 1.161 43 G CA -0.320 44.606 45.100 -0.290 0.000 0.946 43 G HN 1.200 nan 8.290 nan 0.000 0.565 44 L N -0.197 120.968 121.223 -0.098 0.000 3.829 44 L HA -0.226 4.113 4.340 -0.001 0.000 0.440 44 L C 2.292 179.118 176.870 -0.074 0.000 1.192 44 L CA 0.818 55.611 54.840 -0.078 0.000 0.848 44 L CB -0.667 41.348 42.059 -0.074 0.000 1.744 44 L HN 0.614 nan 8.230 nan 0.000 0.920 45 R N 0.406 120.860 120.500 -0.077 0.000 2.159 45 R HA -0.074 4.265 4.340 -0.001 0.000 0.237 45 R C 1.289 177.563 176.300 -0.044 0.000 1.131 45 R CA 1.295 57.357 56.100 -0.064 0.000 0.982 45 R CB -0.290 29.974 30.300 -0.060 0.000 0.868 45 R HN 0.598 nan 8.270 nan 0.000 0.453 46 N N 0.199 118.876 118.700 -0.038 0.000 2.214 46 N HA 0.033 4.773 4.740 -0.001 0.000 0.214 46 N C -0.004 175.491 175.510 -0.025 0.000 1.132 46 N CA -0.009 53.024 53.050 -0.027 0.000 0.856 46 N CB 0.675 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 -0.262 119.634 119.914 -0.030 0.000 3.051 47 V HA 0.163 4.282 4.120 -0.001 0.000 0.306 47 V C 0.444 176.529 176.094 -0.015 0.000 1.083 47 V CA -0.631 61.654 62.300 -0.025 0.000 1.104 47 V CB 0.580 32.386 31.823 -0.030 0.000 1.027 47 V HN 0.066 nan 8.190 nan 0.000 0.483 48 Q N 1.591 121.387 119.800 -0.007 0.000 2.257 48 Q HA 0.704 5.044 4.340 -0.001 0.000 0.262 48 Q C -0.028 175.974 176.000 0.005 0.000 0.997 48 Q CA -0.700 55.103 55.803 -0.000 0.000 0.873 48 Q CB 1.810 30.551 28.738 0.004 0.000 1.312 48 Q HN 1.066 nan 8.270 nan 0.000 0.450 49 A N 1.642 124.466 122.820 0.008 0.000 2.531 49 A HA -0.002 4.318 4.320 -0.001 0.000 0.236 49 A C 0.262 177.859 177.584 0.021 0.000 1.062 49 A CA 0.457 52.502 52.037 0.013 0.000 0.760 49 A CB -0.241 18.769 19.000 0.016 0.000 0.995 49 A HN 0.988 nan 8.150 nan 0.000 0.501 50 E N -1.002 119.215 120.200 0.028 0.000 3.413 50 E HA -0.199 4.150 4.350 -0.001 0.000 0.300 50 E C 0.216 176.848 176.600 0.052 0.000 0.891 50 E CA 1.274 57.700 56.400 0.044 0.000 1.050 50 E CB -1.212 28.509 29.700 0.035 0.000 1.534 50 E HN 0.900 nan 8.360 nan 0.000 0.436 51 E N 0.397 120.621 120.200 0.039 0.000 2.318 51 E HA 0.413 4.762 4.350 -0.001 0.000 0.265 51 E C -0.193 176.443 176.600 0.061 0.000 1.069 51 E CA -0.469 55.955 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 3.894 123.537 119.600 0.072 0.000 2.249 52 M HA 0.267 4.746 4.480 -0.001 0.000 0.351 52 M C -0.864 175.460 176.300 0.039 0.000 1.180 52 M CA -0.543 54.819 55.300 0.102 0.000 1.127 52 M CB 1.062 33.743 32.600 0.135 0.000 1.546 52 M HN 0.407 nan 8.290 nan 0.000 0.461 53 V N 1.370 121.294 119.914 0.016 0.000 3.046 53 V HA 0.727 4.847 4.120 -0.001 0.000 0.316 53 V C -1.118 174.910 176.094 -0.110 0.000 1.104 53 V CA -0.788 61.458 62.300 -0.091 0.000 1.006 53 V CB 2.067 33.772 31.823 -0.196 0.000 1.058 53 V HN 0.914 nan 8.190 nan 0.000 0.440 54 E N 1.032 121.118 120.200 -0.191 0.000 2.256 54 E HA 0.603 4.952 4.350 -0.001 0.000 0.267 54 E C -1.798 174.616 176.600 -0.310 0.000 0.892 54 E CA -0.464 55.862 56.400 -0.123 0.000 0.775 54 E CB 2.589 32.274 29.700 -0.024 0.000 1.207 54 E HN 0.610 nan 8.360 nan 0.000 0.420 55 F N 0.710 120.679 119.950 0.031 0.000 2.399 55 F HA 0.113 4.639 4.527 -0.001 0.000 0.328 55 F C 1.659 177.473 175.800 0.023 0.000 1.084 55 F CA -0.272 57.742 58.000 0.024 0.000 1.053 55 F CB 1.597 40.611 39.000 0.022 0.000 1.209 55 F HN 0.466 nan 8.300 nan 0.000 0.502 56 S N -0.074 115.739 115.700 0.189 0.000 2.389 56 S HA -0.259 4.210 4.470 -0.001 0.000 0.231 56 S C 1.696 176.361 174.600 0.110 0.000 1.052 56 S CA 1.773 60.041 58.200 0.113 0.000 1.053 56 S CB -0.795 62.464 63.200 0.098 0.000 0.886 56 S HN 0.683 nan 8.310 nan 0.000 0.456 57 S N 0.884 116.668 115.700 0.140 0.000 2.803 57 S HA 0.393 4.862 4.470 -0.001 0.000 0.226 57 S C 1.521 176.184 174.600 0.104 0.000 0.962 57 S CA 0.360 58.620 58.200 0.101 0.000 0.968 57 S CB -0.696 62.549 63.200 0.075 0.000 0.786 57 S HN 0.979 nan 8.310 nan 0.000 0.527 58 G N 0.166 109.038 108.800 0.119 0.000 2.189 58 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.267 58 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.267 58 G C -0.098 174.884 174.900 0.138 0.000 0.975 58 G CA 0.294 45.457 45.100 0.105 0.000 0.644 58 G HN 0.529 nan 8.290 nan 0.000 0.537 59 L N 0.942 122.279 121.223 0.188 0.000 2.319 59 L HA 0.582 4.921 4.340 -0.001 0.000 0.280 59 L C 0.671 177.760 176.870 0.366 0.000 1.099 59 L CA -0.108 54.861 54.840 0.216 0.000 0.828 59 L CB 0.930 43.063 42.059 0.123 0.000 1.150 59 L HN 0.196 nan 8.230 nan 0.000 0.442 60 K N 1.978 122.572 120.400 0.325 0.000 2.118 60 K HA 0.740 5.059 4.320 -0.001 0.000 0.267 60 K C -0.009 176.860 176.600 0.448 0.000 0.991 60 K CA -0.312 56.198 56.287 0.371 0.000 0.916 60 K CB 1.375 34.074 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 0.363 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 0.638 120.140 119.600 -0.163 0.000 2.326 62 M HA 0.516 4.995 4.480 -0.001 0.000 0.292 62 M C -0.772 175.519 176.300 -0.015 0.000 1.081 62 M CA -0.570 54.727 55.300 -0.004 0.000 0.919 62 M CB 2.165 34.802 32.600 0.061 0.000 1.634 62 M HN 0.415 nan 8.290 nan 0.000 0.451 63 S N 4.122 119.831 115.700 0.015 0.000 2.686 63 S HA 0.172 4.641 4.470 -0.001 0.000 0.324 63 S C 0.738 175.343 174.600 0.008 0.000 1.172 63 S CA -0.432 57.770 58.200 0.004 0.000 1.127 63 S CB -0.094 63.107 63.200 0.002 0.000 1.338 63 S HN 0.609 nan 8.310 nan 0.000 0.547 64 L N 3.858 125.080 121.223 -0.003 0.000 2.200 64 L HA 0.344 4.683 4.340 -0.001 0.000 0.200 64 L C 0.529 177.401 176.870 0.003 0.000 1.072 64 L CA 1.197 56.038 54.840 0.001 0.000 0.787 64 L CB -0.735 41.315 42.059 -0.015 0.000 0.957 64 L HN 0.368 nan 8.230 nan 0.000 0.459 65 N N 0.236 118.934 118.700 -0.003 0.000 2.457 65 N HA 0.383 5.123 4.740 -0.001 0.000 0.250 65 N C -0.967 174.542 175.510 -0.002 0.000 0.982 65 N CA 0.051 53.101 53.050 -0.001 0.000 0.941 65 N CB 0.796 39.280 38.487 -0.004 0.000 1.120 65 N HN -0.024 nan 8.380 nan 0.000 0.505 66 L N 1.963 123.185 121.223 -0.001 0.000 2.287 66 L HA 0.391 4.730 4.340 -0.001 0.000 0.280 66 L C 0.480 177.346 176.870 -0.007 0.000 1.055 66 L CA -0.419 54.417 54.840 -0.007 0.000 0.863 66 L CB 0.424 42.479 42.059 -0.007 0.000 1.245 66 L HN 0.343 nan 8.230 nan 0.000 0.432 67 E N 3.225 123.420 120.200 -0.008 0.000 2.250 67 E HA 0.262 4.612 4.350 -0.001 0.000 0.265 67 E C -1.506 175.087 176.600 -0.011 0.000 1.033 67 E CA -1.705 54.691 56.400 -0.006 0.000 0.888 67 E CB 1.229 30.928 29.700 -0.001 0.000 1.151 67 E HN 0.247 nan 8.360 nan 0.000 0.412 68 P HA -0.225 nan 4.420 nan 0.000 0.215 68 P C 0.528 177.820 177.300 -0.014 0.000 1.163 68 P CA 1.575 64.669 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 -1.963 118.436 120.400 -0.003 0.000 2.395 69 D HA 0.042 4.681 4.640 -0.001 0.000 0.213 69 D C 0.091 176.395 176.300 0.006 0.000 1.110 69 D CA -0.129 53.875 54.000 0.006 0.000 0.835 69 D CB -0.454 40.369 40.800 0.038 0.000 0.965 69 D HN 0.384 nan 8.370 nan 0.000 0.505 70 N N -1.605 117.091 118.700 -0.007 0.000 3.046 70 N HA 0.361 5.101 4.740 -0.001 0.000 0.243 70 N C -1.966 173.537 175.510 -0.011 0.000 1.452 70 N CA -0.969 52.081 53.050 0.001 0.000 0.882 70 N CB 1.658 40.167 38.487 0.037 0.000 1.425 70 N HN -0.214 nan 8.380 nan 0.000 0.517 71 V N -0.075 119.835 119.914 -0.006 0.000 2.409 71 V HA 0.749 4.868 4.120 -0.001 0.000 0.291 71 V C 0.526 176.625 176.094 0.009 0.000 1.020 71 V CA -0.654 61.641 62.300 -0.007 0.000 0.848 71 V CB 1.212 33.024 31.823 -0.019 0.000 0.990 71 V HN 0.887 nan 8.190 nan 0.000 0.430 72 G N 3.806 112.608 108.800 0.004 0.000 2.356 72 G HA2 0.494 4.453 3.960 -0.001 0.000 0.300 72 G HA3 0.494 4.453 3.960 -0.001 0.000 0.300 72 G C -0.601 174.302 174.900 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 3.816 123.746 119.914 0.027 0.000 2.398 73 V HA 0.237 4.357 4.120 -0.001 0.000 0.286 73 V C 0.293 176.380 176.094 -0.012 0.000 1.026 73 V CA -0.746 61.576 62.300 0.037 0.000 0.868 73 V CB 1.658 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 6.012 125.867 119.914 -0.099 0.000 2.498 74 V HA 0.286 4.405 4.120 -0.001 0.000 0.279 74 V C 0.065 175.971 176.094 -0.313 0.000 1.048 74 V CA -0.214 61.967 62.300 -0.198 0.000 0.967 74 V CB 1.837 33.528 31.823 -0.221 0.000 0.988 74 V HN 0.634 nan 8.190 nan 0.000 0.473 75 V N 6.037 125.789 119.914 -0.270 0.000 2.370 75 V HA 0.332 4.451 4.120 -0.001 0.000 0.279 75 V C -0.093 175.877 176.094 -0.207 0.000 1.029 75 V CA -0.463 61.684 62.300 -0.256 0.000 0.870 75 V CB 1.134 32.806 31.823 -0.252 0.000 0.984 75 V HN 0.694 nan 8.190 nan 0.000 0.451 76 F N 4.496 124.488 119.950 0.071 0.000 2.666 76 F HA 0.606 5.132 4.527 -0.001 0.000 0.362 76 F C 1.170 176.995 175.800 0.042 0.000 1.190 76 F CA 0.119 58.161 58.000 0.071 0.000 1.328 76 F CB -0.268 38.786 39.000 0.091 0.000 1.682 76 F HN 0.725 nan 8.300 nan 0.000 0.623 77 G N 0.240 109.123 108.800 0.138 0.000 2.343 77 G HA2 -0.024 3.935 3.960 -0.001 0.000 0.289 77 G HA3 -0.024 3.935 3.960 -0.001 0.000 0.289 77 G C -1.467 173.440 174.900 0.011 0.000 1.295 77 G CA -1.279 43.869 45.100 0.079 0.000 0.869 77 G HN 0.048 nan 8.290 nan 0.000 0.522 78 N N 1.544 120.246 118.700 0.002 0.000 2.427 78 N HA 0.064 4.803 4.740 -0.001 0.000 0.269 78 N C 1.187 176.657 175.510 -0.066 0.000 1.235 78 N CA 0.507 53.544 53.050 -0.022 0.000 0.934 78 N CB 0.731 39.212 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 -0.179 4.461 4.640 -0.001 0.000 0.228 79 D C 1.107 177.346 176.300 -0.102 0.000 1.003 79 D CA 0.382 54.298 54.000 -0.139 0.000 0.917 79 D CB 0.090 40.802 40.800 -0.146 0.000 0.890 79 D HN 0.705 nan 8.370 nan 0.000 0.532 80 K N 1.102 121.463 120.400 -0.064 0.000 2.283 80 K HA -0.108 4.211 4.320 -0.001 0.000 0.202 80 K C 1.853 178.427 176.600 -0.043 0.000 1.048 80 K CA 0.611 56.871 56.287 -0.044 0.000 0.948 80 K CB -0.353 32.132 32.500 -0.026 0.000 0.742 80 K HN 0.197 nan 8.250 nan 0.000 0.458 81 L N 1.232 122.424 121.223 -0.051 0.000 2.591 81 L HA 0.253 4.592 4.340 -0.001 0.000 0.228 81 L C 0.460 177.302 176.870 -0.046 0.000 1.133 81 L CA -0.101 54.718 54.840 -0.035 0.000 0.880 81 L CB -0.094 41.953 42.059 -0.021 0.000 1.033 81 L HN 0.108 nan 8.230 nan 0.000 0.450 82 I N 0.174 120.690 120.570 -0.090 0.000 2.377 82 I HA 0.287 4.456 4.170 -0.001 0.000 0.293 82 I C -0.144 175.945 176.117 -0.047 0.000 0.987 82 I CA -0.259 60.982 61.300 -0.097 0.000 1.185 82 I CB 1.399 39.237 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 -0.825 175.790 176.600 0.026 0.000 0.993 83 K CA -1.014 55.276 56.287 0.005 0.000 0.847 83 K CB 2.015 34.520 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 4.335 4.350 -0.001 0.000 0.262 84 E C 0.533 177.151 176.600 0.030 0.000 1.004 84 E CA 1.436 57.851 56.400 0.024 0.000 0.928 84 E CB 0.121 29.827 29.700 0.010 0.000 0.937 84 E HN 0.752 nan 8.360 nan 0.000 0.446 85 G N 3.894 112.717 108.800 0.039 0.000 2.284 85 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.230 85 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.230 85 G C -0.060 174.872 174.900 0.054 0.000 1.021 85 G CA 0.098 45.219 45.100 0.035 0.000 0.619 85 G HN 0.687 nan 8.290 nan 0.000 0.510 86 D N 0.632 121.078 120.400 0.077 0.000 2.474 86 D HA 0.326 4.965 4.640 -0.001 0.000 0.232 86 D C 0.663 177.017 176.300 0.091 0.000 1.177 86 D CA 0.254 54.315 54.000 0.100 0.000 0.876 86 D CB 0.508 41.406 40.800 0.163 0.000 1.208 86 D HN 0.287 nan 8.370 nan 0.000 0.464 87 I N 1.402 122.012 120.570 0.066 0.000 2.428 87 I HA 0.137 4.306 4.170 -0.001 0.000 0.289 87 I C -0.395 175.708 176.117 -0.024 0.000 1.019 87 I CA -0.187 61.127 61.300 0.023 0.000 1.351 87 I CB 1.285 39.292 38.000 0.013 0.000 1.412 87 I HN 0.016 nan 8.210 nan 0.000 0.513 88 V N 6.769 126.622 119.914 -0.101 0.000 2.540 88 V HA 0.502 4.621 4.120 -0.001 0.000 0.302 88 V C -0.296 175.684 176.094 -0.191 0.000 1.035 88 V CA -1.017 61.112 62.300 -0.286 0.000 0.873 88 V CB 1.619 33.181 31.823 -0.435 0.000 0.992 88 V HN 0.554 nan 8.190 nan 0.000 0.428 89 K N 3.668 123.951 120.400 -0.195 0.000 2.270 89 K HA 0.628 4.947 4.320 -0.001 0.000 0.255 89 K C -0.265 176.270 176.600 -0.110 0.000 0.936 89 K CA -0.871 55.347 56.287 -0.115 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 0.227 120.682 120.500 -0.076 0.000 2.893 90 R HA 0.072 4.411 4.340 -0.001 0.000 0.279 90 R C 0.633 176.910 176.300 -0.037 0.000 1.076 90 R CA 0.146 56.212 56.100 -0.056 0.000 1.203 90 R CB 0.221 30.498 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 0.170 4.519 4.350 -0.001 0.000 0.258 91 T C 1.012 175.712 174.700 -0.001 0.000 0.962 91 T CA 0.397 62.493 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 1.890 110.687 108.800 -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 0.689 123.515 122.820 0.011 0.000 2.318 93 A HA 0.752 5.071 4.320 -0.001 0.000 0.324 93 A C 0.421 178.020 177.584 0.026 0.000 1.170 93 A CA -0.723 51.324 52.037 0.017 0.000 0.810 93 A CB 0.828 19.838 19.000 0.016 0.000 1.198 93 A HN 0.512 nan 8.150 nan 0.000 0.484 94 I N 2.626 123.210 120.570 0.024 0.000 2.648 94 I HA 0.023 4.192 4.170 -0.001 0.000 0.284 94 I C 0.610 176.749 176.117 0.036 0.000 1.153 94 I CA 0.095 61.413 61.300 0.031 0.000 1.426 94 I CB 0.765 38.778 38.000 0.023 0.000 1.381 94 I HN 0.382 nan 8.210 nan 0.000 0.571 95 V N 6.801 126.747 119.914 0.055 0.000 2.678 95 V HA -0.138 3.981 4.120 -0.001 0.000 0.304 95 V C 0.283 176.388 176.094 0.017 0.000 1.086 95 V CA 0.618 62.950 62.300 0.052 0.000 1.246 95 V CB -0.537 31.340 31.823 0.090 0.000 0.861 95 V HN 0.972 nan 8.190 nan 0.000 0.491 96 D N 3.519 123.920 120.400 0.001 0.000 2.812 96 D HA 0.794 5.434 4.640 -0.001 0.000 0.318 96 D C -0.644 175.642 176.300 -0.023 0.000 1.234 96 D CA -0.346 53.651 54.000 -0.006 0.000 0.989 96 D CB 2.062 42.863 40.800 0.002 0.000 1.442 96 D HN 0.667 nan 8.370 nan 0.000 0.537 97 V N -6.114 113.788 119.914 -0.019 0.000 3.225 97 V HA 0.625 4.744 4.120 -0.001 0.000 0.293 97 V C -3.010 173.066 176.094 -0.030 0.000 1.405 97 V CA -2.007 60.275 62.300 -0.030 0.000 1.038 97 V CB 1.358 33.162 31.823 -0.032 0.000 1.123 97 V HN 0.575 nan 8.190 nan 0.000 0.447 98 P HA 0.269 nan 4.420 nan 0.000 0.266 98 P C -0.607 176.646 177.300 -0.078 0.000 1.186 98 P CA 0.402 63.468 63.100 -0.058 0.000 0.767 98 P CB 0.786 32.452 31.700 -0.057 0.000 0.820 99 V N 1.201 121.034 119.914 -0.135 0.000 3.147 99 V HA 0.826 4.945 4.120 -0.001 0.000 0.306 99 V C 0.151 175.943 176.094 -0.502 0.000 1.209 99 V CA 0.451 62.623 62.300 -0.215 0.000 1.023 99 V CB 2.126 33.888 31.823 -0.101 0.000 1.059 99 V HN 1.038 nan 8.190 nan 0.000 0.435 100 G N 2.561 110.809 108.800 -0.921 0.000 2.423 100 G HA2 -0.049 3.910 3.960 -0.001 0.000 0.684 100 G HA3 -0.049 3.910 3.960 -0.001 0.000 0.684 100 G C 0.038 174.462 174.900 -0.793 0.000 1.309 100 G CA 0.158 44.335 45.100 -1.539 0.000 0.950 100 G HN 0.768 nan 8.290 nan 0.000 0.587 101 E N -0.250 119.569 120.200 -0.635 0.000 2.267 101 E HA -0.082 4.267 4.350 -0.001 0.000 0.197 101 E C 2.137 178.671 176.600 -0.110 0.000 0.998 101 E CA 1.774 58.044 56.400 -0.218 0.000 0.830 101 E CB 0.024 29.651 29.700 -0.122 0.000 0.751 101 E HN 0.549 nan 8.360 nan 0.000 0.491 102 E N -0.086 120.023 120.200 -0.152 0.000 2.153 102 E HA -0.165 4.184 4.350 -0.001 0.000 0.194 102 E C 1.698 178.270 176.600 -0.047 0.000 0.988 102 E CA 0.719 57.069 56.400 -0.083 0.000 0.811 102 E CB -0.052 29.594 29.700 -0.090 0.000 0.746 102 E HN 0.277 nan 8.360 nan 0.000 0.466 103 L N 0.263 121.454 121.223 -0.053 0.000 2.217 103 L HA -0.030 4.310 4.340 -0.001 0.000 0.211 103 L C 0.535 177.423 176.870 0.031 0.000 1.107 103 L CA 0.079 54.913 54.840 -0.009 0.000 0.783 103 L CB -0.502 41.552 42.059 -0.008 0.000 0.919 103 L HN 0.075 nan 8.230 nan 0.000 0.442 104 L N 0.527 121.788 121.223 0.064 0.000 2.573 104 L HA -0.004 4.336 4.340 -0.001 0.000 0.290 104 L C 1.530 178.427 176.870 0.046 0.000 1.247 104 L CA 0.762 55.654 54.840 0.086 0.000 0.876 104 L CB -0.515 41.627 42.059 0.139 0.000 1.123 104 L HN 0.388 nan 8.230 nan 0.000 0.505 105 G N 1.726 110.540 108.800 0.022 0.000 2.168 105 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.263 105 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.263 105 G C 0.360 175.258 174.900 -0.004 0.000 0.977 105 G CA 0.016 45.114 45.100 -0.005 0.000 0.659 105 G HN 0.602 nan 8.290 nan 0.000 0.533 106 R N -0.799 119.704 120.500 0.005 0.000 2.778 106 R HA 0.603 4.942 4.340 -0.001 0.000 0.277 106 R C -0.628 175.678 176.300 0.009 0.000 0.977 106 R CA -0.801 55.301 56.100 0.004 0.000 0.950 106 R CB 2.282 32.584 30.300 0.003 0.000 1.165 106 R HN 0.102 nan 8.270 nan 0.000 0.474 107 V N 3.305 123.225 119.914 0.009 0.000 2.311 107 V HA 0.225 4.344 4.120 -0.001 0.000 0.275 107 V C 0.326 176.430 176.094 0.016 0.000 1.022 107 V CA -0.671 61.639 62.300 0.017 0.000 0.830 107 V CB 0.984 32.817 31.823 0.016 0.000 1.012 107 V HN 0.546 nan 8.190 nan 0.000 0.452 108 V N 1.518 121.443 119.914 0.018 0.000 2.975 108 V HA 0.789 4.909 4.120 -0.001 0.000 0.318 108 V C -0.012 176.088 176.094 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 33.785 31.823 0.003 0.000 1.066 108 V HN 0.751 nan 8.190 nan 0.000 0.452 109 D N 2.007 122.409 120.400 0.004 0.000 2.478 109 D HA 0.431 5.071 4.640 -0.001 0.000 0.274 109 D C 1.114 177.407 176.300 -0.013 0.000 1.234 109 D CA -0.045 53.957 54.000 0.003 0.000 1.069 109 D CB 0.904 41.707 40.800 0.005 0.000 1.113 109 D HN 0.793 nan 8.370 nan 0.000 0.571 110 A N -0.952 121.855 122.820 -0.021 0.000 2.216 110 A HA 0.030 4.349 4.320 -0.001 0.000 0.214 110 A C 2.011 179.535 177.584 -0.100 0.000 1.160 110 A CA 0.688 52.695 52.037 -0.049 0.000 0.725 110 A CB -0.763 18.215 19.000 -0.038 0.000 0.784 110 A HN 0.502 nan 8.150 nan 0.000 0.472 111 L N -2.659 118.502 121.223 -0.103 0.000 2.664 111 L HA 0.328 4.668 4.340 -0.001 0.000 0.233 111 L C 1.662 178.489 176.870 -0.073 0.000 1.113 111 L CA 0.607 55.370 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 -0.729 108.044 108.800 -0.046 0.000 2.352 112 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.204 112 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.204 112 G C 0.187 175.074 174.900 -0.022 0.000 1.004 112 G CA -0.575 44.506 45.100 -0.032 0.000 0.648 112 G HN 0.245 nan 8.290 nan 0.000 0.491 113 N N 1.972 120.660 118.700 -0.020 0.000 2.356 113 N HA 0.420 5.159 4.740 -0.001 0.000 0.252 113 N C 0.742 176.250 175.510 -0.004 0.000 1.241 113 N CA 0.919 53.963 53.050 -0.009 0.000 0.861 113 N CB 0.957 39.441 38.487 -0.004 0.000 1.075 113 N HN 0.866 nan 8.380 nan 0.000 0.461 114 A N 1.914 124.733 122.820 -0.003 0.000 2.386 114 A HA 0.327 4.646 4.320 -0.001 0.000 0.248 114 A C 1.322 178.909 177.584 0.005 0.000 1.082 114 A CA -0.307 51.730 52.037 0.001 0.000 0.789 114 A CB -0.083 18.916 19.000 -0.001 0.000 1.025 114 A HN 0.827 nan 8.150 nan 0.000 0.490 115 I N -1.961 118.614 120.570 0.008 0.000 4.310 115 I HA 0.258 4.427 4.170 -0.001 0.000 0.328 115 I C -0.096 176.026 176.117 0.009 0.000 1.406 115 I CA -0.024 61.282 61.300 0.011 0.000 1.174 115 I CB 0.482 38.491 38.000 0.016 0.000 1.279 115 I HN 0.436 nan 8.210 nan 0.000 0.471 116 D N 1.139 121.542 120.400 0.006 0.000 2.342 116 D HA 0.150 4.790 4.640 -0.001 0.000 0.221 116 D C 1.576 177.877 176.300 0.002 0.000 1.101 116 D CA 0.217 54.219 54.000 0.003 0.000 0.837 116 D CB -0.093 40.707 40.800 0.000 0.000 0.938 116 D HN 0.382 nan 8.370 nan 0.000 0.508 117 G N 1.195 109.998 108.800 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 -0.039 120.361 120.400 0.000 0.000 2.576 118 K HA 0.469 4.788 4.320 -0.001 0.000 0.209 118 K C 1.192 177.792 176.600 -0.001 0.000 1.049 118 K CA 0.330 56.616 56.287 -0.001 0.000 1.140 118 K CB 0.173 32.672 32.500 -0.002 0.000 0.871 118 K HN 1.303 nan 8.250 nan 0.000 0.479 119 G N 2.113 110.913 108.800 -0.001 0.000 2.699 119 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.686 119 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.686 119 G C -2.880 172.018 174.900 -0.004 0.000 1.301 119 G CA -1.333 43.766 45.100 -0.002 0.000 0.816 119 G HN 0.009 nan 8.290 nan 0.000 0.595 120 P HA 0.429 nan 4.420 nan 0.000 0.270 120 P C 0.447 177.739 177.300 -0.012 0.000 1.223 120 P CA -0.454 62.641 63.100 -0.008 0.000 0.785 120 P CB 0.404 32.099 31.700 -0.008 0.000 0.923 121 I N 0.843 121.403 120.570 -0.017 0.000 2.474 121 I HA 0.167 4.336 4.170 -0.001 0.000 0.287 121 I C 1.489 177.587 176.117 -0.031 0.000 1.048 121 I CA 0.001 61.285 61.300 -0.025 0.000 1.383 121 I CB 0.388 38.369 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 4.123 3.960 -0.001 0.000 0.253 122 G HA3 0.164 4.123 3.960 -0.001 0.000 0.253 122 G C 0.344 175.213 174.900 -0.052 0.000 1.017 122 G CA -0.208 44.871 45.100 -0.036 0.000 1.832 122 G HN 0.556 nan 8.290 nan 0.000 0.649 123 S N -0.102 115.563 115.700 -0.058 0.000 2.531 123 S HA 0.186 4.655 4.470 -0.001 0.000 0.279 123 S C 1.078 175.641 174.600 -0.062 0.000 1.305 123 S CA -0.153 58.000 58.200 -0.077 0.000 1.058 123 S CB 1.401 64.553 63.200 -0.080 0.000 0.899 123 S HN 0.583 nan 8.310 nan 0.000 0.493 124 K N 1.232 121.589 120.400 -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 0.699 33.176 32.500 -0.038 0.000 0.925 124 K HN 0.546 nan 8.250 nan 0.000 0.547 125 A N 1.541 124.321 122.820 -0.066 0.000 2.356 125 A HA 0.711 5.031 4.320 -0.001 0.000 0.323 125 A C -0.775 176.781 177.584 -0.046 0.000 1.119 125 A CA -0.689 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 -0.622 119.868 120.500 -0.018 0.000 2.867 126 R HA 0.793 5.132 4.340 -0.001 0.000 0.268 126 R C -1.025 175.278 176.300 0.006 0.000 1.014 126 R CA -0.908 55.183 56.100 -0.014 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 0.393 120.897 120.500 0.008 0.000 2.561 127 R HA 0.261 4.600 4.340 -0.001 0.000 0.266 127 R C -1.354 174.957 176.300 0.019 0.000 1.091 127 R CA -0.637 55.477 56.100 0.023 0.000 0.927 127 R CB 1.426 31.749 30.300 0.038 0.000 1.240 127 R HN 0.486 nan 8.270 nan 0.000 0.449 128 R N 2.442 122.955 120.500 0.021 0.000 2.489 128 R HA 0.047 4.386 4.340 -0.001 0.000 0.287 128 R C 1.333 177.645 176.300 0.019 0.000 1.053 128 R CA 0.447 56.556 56.100 0.016 0.000 1.036 128 R CB 0.733 31.043 30.300 0.015 0.000 0.966 128 R HN 0.618 nan 8.270 nan 0.000 0.432 129 V N 1.267 121.187 119.914 0.011 0.000 2.515 129 V HA -0.007 4.113 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 1.587 63.904 62.300 0.028 0.000 1.064 129 V CB -0.380 31.451 31.823 0.014 0.000 0.675 129 V HN 0.773 nan 8.190 nan 0.000 0.461 130 G N 1.267 110.051 108.800 -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 -0.415 44.648 45.100 -0.062 0.000 1.304 130 G HN 0.369 nan 8.290 nan 0.000 0.475 131 L N 1.049 122.281 121.223 0.014 0.000 2.346 131 L HA 0.474 4.813 4.340 -0.001 0.000 0.276 131 L C 0.563 177.448 176.870 0.025 0.000 1.006 131 L CA -1.032 53.820 54.840 0.020 0.000 0.817 131 L CB 2.414 44.490 42.059 0.029 0.000 1.272 131 L HN 0.248 nan 8.230 nan 0.000 0.421 132 K N 1.584 122.000 120.400 0.025 0.000 2.380 132 K HA 0.369 4.688 4.320 -0.001 0.000 0.267 132 K C -0.020 176.593 176.600 0.022 0.000 0.990 132 K CA -0.213 56.093 56.287 0.031 0.000 0.946 132 K CB 0.831 33.351 32.500 0.035 0.000 0.937 132 K HN 0.697 nan 8.250 nan 0.000 0.491 133 A N 4.817 127.649 122.820 0.019 0.000 2.407 133 A HA 0.266 4.585 4.320 -0.001 0.000 0.248 133 A C -2.109 175.466 177.584 -0.014 0.000 1.082 133 A CA -1.283 50.757 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 0.604 nan 8.150 nan 0.000 0.489 134 P HA 0.081 nan 4.420 nan 0.000 0.264 134 P C 0.728 177.981 177.300 -0.077 0.000 1.183 134 P CA 0.602 63.652 63.100 -0.084 0.000 0.763 134 P CB 0.251 31.866 31.700 -0.141 0.000 0.807 135 G N 1.837 110.588 108.800 -0.081 0.000 2.479 135 G HA2 0.090 4.049 3.960 -0.001 0.000 0.275 135 G HA3 0.090 4.049 3.960 -0.001 0.000 0.275 135 G C 1.233 176.091 174.900 -0.071 0.000 1.421 135 G CA -0.611 44.455 45.100 -0.058 0.000 1.059 135 G HN 0.433 nan 8.290 nan 0.000 0.535 136 I N -0.208 120.335 120.570 -0.045 0.000 2.163 136 I HA -0.138 4.032 4.170 -0.001 0.000 0.240 136 I C 2.653 178.741 176.117 -0.048 0.000 1.081 136 I CA 0.704 61.982 61.300 -0.036 0.000 1.353 136 I CB -0.185 37.806 38.000 -0.014 0.000 1.054 136 I HN 0.239 nan 8.210 nan 0.000 0.407 137 I N 1.189 121.733 120.570 -0.043 0.000 2.163 137 I HA -0.164 4.005 4.170 -0.001 0.000 0.243 137 I C -0.313 175.756 176.117 -0.080 0.000 1.085 137 I CA 1.761 63.048 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 -0.034 nan 4.420 nan 0.000 0.239 138 P C 0.068 177.131 177.300 -0.395 0.000 1.184 138 P CA 0.775 63.425 63.100 -0.750 0.000 0.760 138 P CB 0.037 31.001 31.700 -1.227 0.000 0.884 139 R N -0.596 119.802 120.500 -0.169 0.000 2.923 139 R HA 0.757 5.096 4.340 -0.001 0.000 0.252 139 R C -0.768 175.518 176.300 -0.023 0.000 1.130 139 R CA -1.103 54.945 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 -0.154 nan 8.270 nan 0.000 0.495 140 I N -0.515 120.051 120.570 -0.006 0.000 2.686 140 I HA 0.240 4.409 4.170 -0.001 0.000 0.295 140 I C -0.674 175.442 176.117 -0.002 0.000 1.114 140 I CA -0.245 61.059 61.300 0.008 0.000 1.038 140 I CB 2.547 40.562 38.000 0.026 0.000 1.238 140 I HN 0.599 nan 8.210 nan 0.000 0.420 141 S N 3.979 119.677 115.700 -0.002 0.000 2.571 141 S HA 0.107 4.576 4.470 -0.001 0.000 0.298 141 S C -0.132 174.460 174.600 -0.013 0.000 1.280 141 S CA -0.391 57.805 58.200 -0.007 0.000 1.052 141 S CB 0.110 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 4.907 124.809 119.914 -0.020 0.000 2.493 142 V HA 0.066 4.185 4.120 -0.001 0.000 0.292 142 V C 1.109 177.182 176.094 -0.035 0.000 1.016 142 V CA 0.811 63.091 62.300 -0.033 0.000 1.097 142 V CB 0.352 32.154 31.823 -0.035 0.000 0.947 142 V HN 0.839 nan 8.190 nan 0.000 0.479 143 R N 1.800 122.273 120.500 -0.044 0.000 2.576 143 R HA 0.208 4.548 4.340 -0.001 0.000 0.237 143 R C 0.035 176.301 176.300 -0.057 0.000 0.917 143 R CA -0.210 55.866 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 3.187 123.336 120.200 -0.085 0.000 2.229 144 E HA 0.210 4.559 4.350 -0.001 0.000 0.283 144 E C -2.458 174.063 176.600 -0.132 0.000 1.030 144 E CA -2.331 54.000 56.400 -0.114 0.000 0.836 144 E CB 0.683 30.285 29.700 -0.162 0.000 1.068 144 E HN -0.111 nan 8.360 nan 0.000 0.401 145 P HA -0.027 nan 4.420 nan 0.000 0.270 145 P C -0.532 176.666 177.300 -0.170 0.000 1.223 145 P CA -0.094 62.936 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 2.073 121.591 119.600 -0.136 0.000 1.980 146 M HA 0.154 4.633 4.480 -0.001 0.000 0.282 146 M C -1.074 175.178 176.300 -0.080 0.000 0.878 146 M CA -0.585 54.629 55.300 -0.145 0.000 0.900 146 M CB 0.630 33.158 32.600 -0.120 0.000 1.577 146 M HN 0.270 nan 8.290 nan 0.000 0.396 147 Q N 2.309 122.069 119.800 -0.065 0.000 2.296 147 Q HA 0.243 4.582 4.340 -0.001 0.000 0.262 147 Q C 1.184 177.219 176.000 0.059 0.000 0.981 147 Q CA 0.153 55.971 55.803 0.025 0.000 0.905 147 Q CB 0.837 29.641 28.738 0.109 0.000 1.186 147 Q HN 0.787 nan 8.270 nan 0.000 0.399 148 T N -1.155 113.422 114.554 0.037 0.000 2.894 148 T HA 0.134 4.483 4.350 -0.001 0.000 0.258 148 T C 1.229 175.953 174.700 0.041 0.000 1.043 148 T CA 0.813 62.934 62.100 0.034 0.000 1.141 148 T CB 0.075 68.953 68.868 0.015 0.000 0.873 148 T HN 0.821 nan 8.240 nan 0.000 0.449 149 G N 1.304 110.127 108.800 0.037 0.000 2.192 149 G HA2 -0.105 3.854 3.960 -0.001 0.000 0.193 149 G HA3 -0.105 3.854 3.960 -0.001 0.000 0.193 149 G C -0.008 174.897 174.900 0.009 0.000 0.999 149 G CA -0.166 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 1.736 122.310 120.570 0.007 0.000 2.328 150 I HA 0.277 4.446 4.170 -0.001 0.000 0.287 150 I C 1.536 177.656 176.117 0.005 0.000 1.012 150 I CA -0.879 60.420 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 4.546 124.949 120.400 0.005 0.000 2.000 151 K HA -0.267 4.052 4.320 -0.001 0.000 0.218 151 K C 2.158 178.765 176.600 0.011 0.000 1.053 151 K CA 1.964 58.258 56.287 0.011 0.000 0.946 151 K CB -0.385 32.123 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 -0.225 4.094 4.320 -0.001 0.000 0.220 152 A C 2.492 180.083 177.584 0.013 0.000 1.198 152 A CA 2.293 54.336 52.037 0.010 0.000 0.647 152 A CB -0.975 18.028 19.000 0.005 0.000 0.825 152 A HN 0.149 nan 8.150 nan 0.000 0.456 153 V N 0.090 120.010 119.914 0.010 0.000 2.256 153 V HA -0.156 3.963 4.120 -0.001 0.000 0.240 153 V C 2.068 178.168 176.094 0.011 0.000 1.036 153 V CA 2.065 64.372 62.300 0.012 0.000 1.008 153 V CB -0.795 31.034 31.823 0.009 0.000 0.648 153 V HN 0.506 nan 8.190 nan 0.000 0.453 154 D N 0.446 120.852 120.400 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 1.677 55.683 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 -0.954 114.754 115.700 0.014 0.000 2.460 155 S HA 0.103 4.573 4.470 -0.001 0.000 0.226 155 S C 2.003 176.612 174.600 0.014 0.000 1.057 155 S CA -0.091 58.118 58.200 0.015 0.000 0.948 155 S CB -0.103 63.107 63.200 0.017 0.000 0.822 155 S HN 0.158 nan 8.310 nan 0.000 0.512 156 L N 1.465 122.697 121.223 0.016 0.000 2.316 156 L HA 0.338 4.677 4.340 -0.001 0.000 0.207 156 L C 0.359 177.240 176.870 0.019 0.000 1.070 156 L CA 0.167 55.018 54.840 0.019 0.000 0.820 156 L CB 0.321 42.395 42.059 0.025 0.000 0.992 156 L HN 0.333 nan 8.230 nan 0.000 0.466 157 V N -2.526 117.399 119.914 0.018 0.000 2.384 157 V HA 0.426 4.546 4.120 -0.001 0.000 0.257 157 V C -2.693 173.406 176.094 0.009 0.000 0.969 157 V CA -2.054 60.256 62.300 0.017 0.000 0.910 157 V CB -0.185 31.653 31.823 0.025 0.000 1.150 157 V HN -0.102 nan 8.190 nan 0.000 0.481 158 P HA 0.244 nan 4.420 nan 0.000 0.265 158 P C -0.369 176.924 177.300 -0.011 0.000 1.187 158 P CA 0.664 63.762 63.100 -0.004 0.000 0.766 158 P CB 0.938 32.635 31.700 -0.006 0.000 0.820 159 I N 1.842 122.401 120.570 -0.020 0.000 2.436 159 I HA 0.482 4.651 4.170 -0.001 0.000 0.289 159 I C 0.977 177.065 176.117 -0.049 0.000 1.010 159 I CA -0.456 60.827 61.300 -0.029 0.000 1.098 159 I CB 2.111 40.095 38.000 -0.028 0.000 1.266 159 I HN 0.296 nan 8.210 nan 0.000 0.434 160 G N 4.741 113.508 108.800 -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 -0.561 174.281 174.900 -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 -0.504 119.915 120.500 -0.136 0.000 2.340 161 R HA 0.459 4.798 4.340 -0.001 0.000 0.300 161 R C 1.039 177.273 176.300 -0.110 0.000 1.069 161 R CA 0.845 56.846 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 1.469 110.224 108.800 -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 0.132 175.014 174.900 -0.030 0.000 0.990 162 G CA -0.246 44.831 45.100 -0.040 0.000 0.639 162 G HN 0.562 nan 8.290 nan 0.000 0.514 163 Q N 0.152 119.929 119.800 -0.038 0.000 2.259 163 Q HA 0.658 4.997 4.340 -0.001 0.000 0.246 163 Q C -0.013 175.975 176.000 -0.020 0.000 0.920 163 Q CA -0.586 55.200 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 2.209 122.704 120.500 -0.008 0.000 2.288 164 R HA 0.262 4.601 4.340 -0.001 0.000 0.326 164 R C -1.284 175.016 176.300 -0.000 0.000 0.959 164 R CA -0.429 55.671 56.100 -0.000 0.000 0.834 164 R CB 1.420 31.726 30.300 0.011 0.000 1.157 164 R HN 0.465 nan 8.270 nan 0.000 0.470 165 E N 3.203 123.401 120.200 -0.003 0.000 2.199 165 E HA 0.286 4.635 4.350 -0.001 0.000 0.265 165 E C -1.536 175.068 176.600 0.007 0.000 0.882 165 E CA -0.899 55.503 56.400 0.003 0.000 0.759 165 E CB 1.186 30.886 29.700 -0.000 0.000 1.148 165 E HN 0.352 nan 8.360 nan 0.000 0.412 166 L N 5.359 126.591 121.223 0.014 0.000 2.326 166 L HA 0.507 4.847 4.340 -0.001 0.000 0.278 166 L C -0.971 175.919 176.870 0.033 0.000 1.092 166 L CA -0.118 54.733 54.840 0.017 0.000 0.810 166 L CB 0.763 42.830 42.059 0.014 0.000 1.153 166 L HN 0.673 nan 8.230 nan 0.000 0.439 167 I N 6.802 127.390 120.570 0.031 0.000 2.307 167 I HA 0.393 4.563 4.170 -0.001 0.000 0.289 167 I C -0.366 175.788 176.117 0.062 0.000 1.021 167 I CA -0.147 61.181 61.300 0.045 0.000 1.224 167 I CB 1.142 39.161 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 -0.361 175.882 176.117 0.209 0.000 1.078 168 I CA -0.075 61.314 61.300 0.148 0.000 1.048 168 I CB 2.126 40.222 38.000 0.160 0.000 1.239 168 I HN 0.683 nan 8.210 nan 0.000 0.421 169 G N 5.183 114.080 108.800 0.161 0.000 2.328 169 G HA2 0.157 4.116 3.960 -0.001 0.000 0.295 169 G HA3 0.157 4.116 3.960 -0.001 0.000 0.295 169 G C -1.875 173.059 174.900 0.058 0.000 1.413 169 G CA -0.755 44.402 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 0.268 4.907 4.640 -0.001 0.000 0.246 170 D C 1.055 177.343 176.300 -0.021 0.000 1.275 170 D CA -0.047 53.963 54.000 0.016 0.000 0.979 170 D CB 0.549 41.356 40.800 0.011 0.000 1.101 170 D HN 0.673 nan 8.370 nan 0.000 0.505 171 R N 0.166 120.659 120.500 -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 -0.083 0.000 1.024 171 R CA -0.168 55.916 56.100 -0.026 0.000 1.085 171 R CB 0.170 30.467 30.300 -0.005 0.000 0.963 171 R HN 0.230 nan 8.270 nan 0.000 0.426 172 Q N -0.264 119.477 119.800 -0.098 0.000 2.480 172 Q HA -0.165 4.174 4.340 -0.001 0.000 0.265 172 Q C 0.367 176.140 176.000 -0.379 0.000 1.072 172 Q CA 1.876 57.567 55.803 -0.187 0.000 1.018 172 Q CB -2.009 26.625 28.738 -0.174 0.000 1.433 172 Q HN 1.008 nan 8.270 nan 0.000 0.513 173 T N -4.722 109.656 114.554 -0.294 0.000 3.086 173 T HA 0.422 4.771 4.350 -0.001 0.000 0.250 173 T C 1.249 175.842 174.700 -0.178 0.000 1.074 173 T CA 0.805 62.667 62.100 -0.395 0.000 0.988 173 T CB 0.900 69.628 68.868 -0.232 0.000 0.988 173 T HN 0.786 nan 8.240 nan 0.000 0.530 174 G N 1.656 110.399 108.800 -0.095 0.000 2.154 174 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.186 174 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.186 174 G C 0.716 175.622 174.900 0.010 0.000 1.000 174 G CA 0.127 45.242 45.100 0.025 0.000 0.664 174 G HN 0.501 nan 8.290 nan 0.000 0.513 175 K N -0.122 120.277 120.400 -0.002 0.000 2.009 175 K HA -0.076 4.244 4.320 -0.001 0.000 0.210 175 K C 2.558 179.177 176.600 0.031 0.000 1.049 175 K CA 2.007 58.303 56.287 0.015 0.000 0.929 175 K CB -0.385 32.127 32.500 0.019 0.000 0.714 175 K HN 0.304 nan 8.250 nan 0.000 0.440 176 T N 0.916 115.497 114.554 0.043 0.000 2.788 176 T HA -0.122 4.227 4.350 -0.001 0.000 0.268 176 T C 2.047 176.769 174.700 0.037 0.000 1.044 176 T CA 1.548 63.691 62.100 0.073 0.000 1.139 176 T CB -0.238 68.682 68.868 0.088 0.000 0.867 176 T HN 0.179 nan 8.240 nan 0.000 0.454 177 S N 1.524 117.226 115.700 0.003 0.000 2.365 177 S HA -0.108 4.361 4.470 -0.001 0.000 0.225 177 S C 2.046 176.617 174.600 -0.048 0.000 1.039 177 S CA 0.975 59.143 58.200 -0.054 0.000 1.033 177 S CB -0.470 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 2.193 122.751 120.570 -0.021 0.000 2.145 178 I HA -0.277 3.892 4.170 -0.001 0.000 0.244 178 I C 2.744 178.863 176.117 0.004 0.000 1.075 178 I CA 1.710 63.003 61.300 -0.012 0.000 1.332 178 I CB -1.827 36.175 38.000 0.003 0.000 1.033 178 I HN 0.285 nan 8.210 nan 0.000 0.410 179 A N 1.001 123.838 122.820 0.028 0.000 1.902 179 A HA -0.163 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 1.316 53.387 52.037 0.056 0.000 0.623 179 A CB -0.516 18.559 19.000 0.124 0.000 0.818 179 A HN 0.279 nan 8.150 nan 0.000 0.443 180 I N 0.513 121.091 120.570 0.012 0.000 2.113 180 I HA -0.202 3.967 4.170 -0.001 0.000 0.238 180 I C 1.960 178.086 176.117 0.016 0.000 1.070 180 I CA 1.736 63.033 61.300 -0.005 0.000 1.332 180 I CB -1.809 36.192 38.000 0.001 0.000 1.044 180 I HN 0.254 nan 8.210 nan 0.000 0.402 181 D N 0.638 121.028 120.400 -0.016 0.000 2.172 181 D HA -0.184 4.455 4.640 -0.001 0.000 0.196 181 D C 2.193 178.509 176.300 0.027 0.000 0.999 181 D CA 1.794 55.789 54.000 -0.008 0.000 0.856 181 D CB -0.198 40.568 40.800 -0.057 0.000 0.934 181 D HN 0.269 nan 8.370 nan 0.000 0.453 182 T N 0.168 114.739 114.554 0.030 0.000 2.708 182 T HA -0.070 4.280 4.350 -0.001 0.000 0.266 182 T C 2.109 176.858 174.700 0.081 0.000 1.037 182 T CA 0.618 62.747 62.100 0.048 0.000 1.146 182 T CB -0.186 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 0.400 121.020 120.570 0.084 0.000 2.226 183 I HA -0.139 4.030 4.170 -0.001 0.000 0.245 183 I C 2.267 178.504 176.117 0.201 0.000 1.100 183 I CA 1.395 62.775 61.300 0.134 0.000 1.374 183 I CB -0.403 37.634 38.000 0.062 0.000 1.057 183 I HN 0.226 nan 8.210 nan 0.000 0.413 184 I N 0.922 121.567 120.570 0.126 0.000 2.315 184 I HA -0.294 3.876 4.170 -0.001 0.000 0.248 184 I C 2.232 178.415 176.117 0.110 0.000 1.117 184 I CA 1.359 62.738 61.300 0.131 0.000 1.404 184 I CB -0.339 37.719 38.000 0.097 0.000 1.071 184 I HN 0.284 nan 8.210 nan 0.000 0.419 185 N N 0.475 119.222 118.700 0.079 0.000 2.364 185 N HA -0.209 4.531 4.740 -0.001 0.000 0.183 185 N C 1.673 177.184 175.510 0.000 0.000 1.022 185 N CA 0.973 54.041 53.050 0.031 0.000 0.883 185 N CB 0.108 38.631 38.487 0.059 0.000 0.965 185 N HN 0.191 nan 8.380 nan 0.000 0.438 186 Q N 0.216 120.063 119.800 0.078 0.000 2.488 186 Q HA -0.047 4.292 4.340 -0.001 0.000 0.211 186 Q C 1.493 177.335 176.000 -0.264 0.000 0.967 186 Q CA 0.461 56.288 55.803 0.040 0.000 0.926 186 Q CB -0.089 28.652 28.738 0.005 0.000 0.992 186 Q HN 0.514 nan 8.270 nan 0.000 0.506 187 K N 1.107 121.378 120.400 -0.215 0.000 2.057 187 K HA -0.117 4.202 4.320 -0.001 0.000 0.207 187 K C 1.849 178.252 176.600 -0.327 0.000 1.049 187 K CA 0.768 56.909 56.287 -0.244 0.000 0.931 187 K CB 0.140 32.621 32.500 -0.032 0.000 0.714 187 K HN 0.095 nan 8.250 nan 0.000 0.440 188 R N -0.358 119.861 120.500 -0.468 0.000 2.191 188 R HA -0.229 4.111 4.340 -0.001 0.000 0.248 188 R C 2.248 178.183 176.300 -0.609 0.000 1.127 188 R CA 2.572 58.277 56.100 -0.658 0.000 0.943 188 R CB -0.718 28.826 30.300 -1.260 0.000 0.891 188 R HN 0.259 nan 8.270 nan 0.000 0.439 189 F N 0.043 119.903 119.950 -0.150 0.000 2.335 189 F HA 0.053 4.579 4.527 -0.001 0.000 0.296 189 F C 2.064 177.750 175.800 -0.189 0.000 1.091 189 F CA 0.297 58.208 58.000 -0.149 0.000 1.399 189 F CB -0.494 38.418 39.000 -0.147 0.000 1.067 189 F HN -0.065 nan 8.300 nan 0.000 0.520 190 N N 0.367 118.978 118.700 -0.148 0.000 2.309 190 N HA -0.134 4.605 4.740 -0.001 0.000 0.182 190 N C 1.065 176.497 175.510 -0.130 0.000 1.018 190 N CA 1.219 54.128 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 0.227 nan 8.380 nan 0.000 0.434 191 D N -0.106 120.219 120.400 -0.125 0.000 2.347 191 D HA 0.076 4.715 4.640 -0.001 0.000 0.213 191 D C 1.151 177.422 176.300 -0.048 0.000 0.985 191 D CA 0.196 54.156 54.000 -0.065 0.000 0.879 191 D CB -0.137 40.623 40.800 -0.067 0.000 0.919 191 D HN 0.142 nan 8.370 nan 0.000 0.526 192 G N -0.650 108.119 108.800 -0.050 0.000 2.588 192 G HA2 0.202 4.162 3.960 -0.001 0.000 0.278 192 G HA3 0.202 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 -0.039 45.048 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 0.000 4.350 4.350 -0.001 0.000 0.252 193 T C 0.955 175.666 174.700 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 68.609 68.868 0.009 0.000 0.865 193 T HN 0.489 nan 8.240 nan 0.000 0.423 194 D N 1.666 122.079 120.400 0.022 0.000 2.581 194 D HA -0.030 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 0.332 54.345 54.000 0.022 0.000 0.866 194 D CB 0.936 41.754 40.800 0.029 0.000 1.151 194 D HN 0.192 nan 8.370 nan 0.000 0.500 195 E N 2.344 122.553 120.200 0.014 0.000 2.385 195 E HA -0.009 4.340 4.350 -0.001 0.000 0.194 195 E C 1.439 178.030 176.600 -0.015 0.000 1.013 195 E CA 0.516 56.924 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 0.044 120.440 120.400 -0.007 0.000 2.228 196 K HA 0.031 4.350 4.320 -0.001 0.000 0.202 196 K C 1.581 178.235 176.600 0.089 0.000 1.051 196 K CA 0.660 56.952 56.287 0.008 0.000 0.960 196 K CB 0.183 32.706 32.500 0.038 0.000 0.743 196 K HN -0.068 nan 8.250 nan 0.000 0.458 197 K N 1.130 121.538 120.400 0.013 0.000 2.400 197 K HA 0.040 4.359 4.320 -0.001 0.000 0.194 197 K C 0.095 176.627 176.600 -0.113 0.000 1.033 197 K CA 0.283 56.523 56.287 -0.078 0.000 1.021 197 K CB 0.296 32.754 32.500 -0.069 0.000 0.808 197 K HN 0.074 nan 8.250 nan 0.000 0.505 198 K N 1.230 121.589 120.400 -0.068 0.000 2.355 198 K HA 0.108 4.427 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 0.588 32.920 32.500 -0.281 0.000 0.939 198 K HN -0.163 nan 8.250 nan 0.000 0.482 199 L N 3.820 124.809 121.223 -0.391 0.000 2.446 199 L HA 0.288 4.627 4.340 -0.001 0.000 0.268 199 L C -1.636 174.997 176.870 -0.395 0.000 0.975 199 L CA -0.475 54.179 54.840 -0.309 0.000 0.848 199 L CB 0.725 42.685 42.059 -0.164 0.000 1.225 199 L HN 0.429 nan 8.230 nan 0.000 0.410 200 Y N 3.143 123.363 120.300 -0.133 0.000 2.319 200 Y HA 0.442 4.991 4.550 -0.001 0.000 0.328 200 Y C 0.653 176.447 175.900 -0.176 0.000 1.133 200 Y CA -0.043 57.929 58.100 -0.213 0.000 1.265 200 Y CB 0.847 38.868 38.460 -0.731 0.000 1.218 200 Y HN 0.502 nan 8.280 nan 0.000 0.508 201 C N 4.454 123.814 119.300 0.099 0.000 2.454 201 C HA 0.737 5.196 4.460 -0.001 0.000 0.336 201 C C -0.040 174.959 174.990 0.015 0.000 1.189 201 C CA -1.116 57.931 59.018 0.048 0.000 1.877 201 C CB 0.479 28.288 27.740 0.116 0.000 2.348 201 C HN 0.656 nan 8.230 nan 0.000 0.508 202 I N 1.578 122.147 120.570 -0.001 0.000 2.533 202 I HA 0.317 4.487 4.170 -0.001 0.000 0.290 202 I C -1.289 174.841 176.117 0.021 0.000 1.056 202 I CA -0.502 60.803 61.300 0.009 0.000 1.057 202 I CB 1.523 39.515 38.000 -0.013 0.000 1.240 202 I HN 0.631 nan 8.210 nan 0.000 0.423 203 Y N 6.615 126.877 120.300 -0.064 0.000 2.376 203 Y HA 0.572 5.121 4.550 -0.001 0.000 0.326 203 Y C -1.091 174.786 175.900 -0.037 0.000 0.970 203 Y CA -0.743 57.319 58.100 -0.063 0.000 1.248 203 Y CB 1.309 39.742 38.460 -0.046 0.000 1.117 203 Y HN 0.251 nan 8.280 nan 0.000 0.476 204 V N 6.397 126.028 119.914 -0.472 0.000 2.348 204 V HA 0.622 4.741 4.120 -0.001 0.000 0.270 204 V C 0.262 176.109 176.094 -0.412 0.000 1.037 204 V CA -0.559 61.568 62.300 -0.289 0.000 0.872 204 V CB 0.624 32.378 31.823 -0.115 0.000 1.002 204 V HN 0.907 nan 8.190 nan 0.000 0.464 205 A N 7.112 129.811 122.820 -0.201 0.000 2.328 205 A HA 0.839 5.158 4.320 -0.001 0.000 0.284 205 A C -0.423 177.140 177.584 -0.035 0.000 1.160 205 A CA -0.300 51.684 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 1.847 122.404 120.570 -0.021 0.000 2.478 206 I HA 0.528 4.697 4.170 -0.001 0.000 0.287 206 I C 1.082 177.223 176.117 0.039 0.000 1.042 206 I CA 0.015 61.322 61.300 0.012 0.000 1.067 206 I CB 1.842 39.842 38.000 -0.001 0.000 1.233 206 I HN 0.986 nan 8.210 nan 0.000 0.431 207 G N 3.905 112.738 108.800 0.055 0.000 2.212 207 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.266 207 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.266 207 G C 0.371 175.304 174.900 0.056 0.000 0.978 207 G CA 0.600 45.737 45.100 0.062 0.000 0.632 207 G HN 0.649 nan 8.290 nan 0.000 0.537 208 Q N 0.246 120.080 119.800 0.056 0.000 2.841 208 Q HA 0.516 4.855 4.340 -0.001 0.000 0.198 208 Q C 0.598 176.632 176.000 0.057 0.000 1.135 208 Q CA 0.318 56.157 55.803 0.061 0.000 1.167 208 Q CB 0.259 29.043 28.738 0.076 0.000 1.288 208 Q HN 0.363 nan 8.270 nan 0.000 0.670 209 K N 0.412 120.845 120.400 0.055 0.000 2.206 209 K HA 0.203 4.522 4.320 -0.001 0.000 0.264 209 K C 0.597 177.224 176.600 0.046 0.000 0.967 209 K CA -0.364 55.951 56.287 0.046 0.000 0.844 209 K CB 0.796 33.320 32.500 0.041 0.000 1.099 209 K HN 0.555 nan 8.250 nan 0.000 0.441 210 R N 0.583 121.108 120.500 0.041 0.000 2.119 210 R HA -0.177 4.163 4.340 -0.001 0.000 0.246 210 R C 1.873 178.192 176.300 0.031 0.000 1.146 210 R CA 2.452 58.574 56.100 0.037 0.000 0.962 210 R CB -0.134 30.185 30.300 0.031 0.000 0.863 210 R HN 0.741 nan 8.270 nan 0.000 0.442 211 S N -0.691 115.026 115.700 0.028 0.000 2.402 211 S HA -0.095 4.374 4.470 -0.001 0.000 0.229 211 S C 1.893 176.507 174.600 0.023 0.000 1.021 211 S CA 1.568 59.781 58.200 0.022 0.000 0.974 211 S CB -0.292 62.919 63.200 0.019 0.000 0.800 211 S HN 0.228 nan 8.310 nan 0.000 0.484 212 T N 2.397 116.970 114.554 0.031 0.000 2.777 212 T HA 0.011 4.360 4.350 -0.001 0.000 0.266 212 T C 1.944 176.664 174.700 0.032 0.000 1.040 212 T CA 1.305 63.426 62.100 0.035 0.000 1.141 212 T CB -0.491 68.406 68.868 0.049 0.000 0.868 212 T HN 0.274 nan 8.240 nan 0.000 0.444 213 V N 1.863 121.806 119.914 0.047 0.000 2.261 213 V HA -0.159 3.961 4.120 -0.001 0.000 0.246 213 V C 2.931 179.032 176.094 0.012 0.000 1.047 213 V CA 1.711 64.041 62.300 0.050 0.000 1.015 213 V CB -1.293 30.579 31.823 0.080 0.000 0.642 213 V HN 0.514 nan 8.190 nan 0.000 0.446 214 A N -0.631 122.197 122.820 0.013 0.000 1.948 214 A HA -0.290 4.030 4.320 -0.001 0.000 0.220 214 A C 2.180 179.755 177.584 -0.015 0.000 1.177 214 A CA 1.901 53.937 52.037 -0.001 0.000 0.636 214 A CB -0.469 18.533 19.000 0.004 0.000 0.815 214 A HN 0.579 nan 8.150 nan 0.000 0.449 215 Q N -0.704 119.090 119.800 -0.011 0.000 2.079 215 Q HA -0.094 4.245 4.340 -0.001 0.000 0.200 215 Q C 2.191 178.168 176.000 -0.039 0.000 0.974 215 Q CA 0.988 56.780 55.803 -0.018 0.000 0.840 215 Q CB -0.667 28.068 28.738 -0.004 0.000 0.898 215 Q HN 0.637 nan 8.270 nan 0.000 0.430 216 L N 1.038 122.230 121.223 -0.051 0.000 2.017 216 L HA -0.122 4.217 4.340 -0.001 0.000 0.208 216 L C 2.351 179.144 176.870 -0.129 0.000 1.073 216 L CA 1.829 56.603 54.840 -0.110 0.000 0.745 216 L CB -0.794 41.166 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 2.518 178.566 176.094 -0.077 0.000 1.080 217 V CA 1.735 63.981 62.300 -0.090 0.000 1.102 217 V CB -0.508 31.280 31.823 -0.058 0.000 0.705 217 V HN 0.473 nan 8.190 nan 0.000 0.475 218 K N 0.480 120.841 120.400 -0.065 0.000 1.973 218 K HA -0.209 4.111 4.320 -0.001 0.000 0.210 218 K C 2.507 179.061 176.600 -0.078 0.000 1.045 218 K CA 1.720 57.970 56.287 -0.061 0.000 0.937 218 K CB -0.359 32.111 32.500 -0.050 0.000 0.721 218 K HN 0.451 nan 8.250 nan 0.000 0.438 219 R N 0.752 121.200 120.500 -0.087 0.000 2.113 219 R HA -0.160 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 1.783 57.820 56.100 -0.105 0.000 0.953 219 R CB -0.350 29.894 30.300 -0.093 0.000 0.860 219 R HN 0.263 nan 8.270 nan 0.000 0.438 220 L N -0.595 120.565 121.223 -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 1.897 56.665 54.840 -0.119 0.000 0.745 220 L CB -0.716 41.248 42.059 -0.157 0.000 0.894 220 L HN 0.351 nan 8.230 nan 0.000 0.432 221 T N -1.063 113.433 114.554 -0.096 0.000 2.708 221 T HA -0.195 4.154 4.350 -0.001 0.000 0.266 221 T C 1.416 176.076 174.700 -0.066 0.000 1.037 221 T CA 1.558 63.611 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 1.180 121.538 120.400 -0.070 0.000 2.311 222 D HA 0.023 4.662 4.640 -0.001 0.000 0.212 222 D C 1.782 178.045 176.300 -0.062 0.000 0.972 222 D CA 0.741 54.700 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 -0.154 122.631 122.820 -0.059 0.000 2.348 223 A HA 0.103 4.423 4.320 -0.001 0.000 0.224 223 A C 0.460 178.037 177.584 -0.011 0.000 1.227 223 A CA 0.204 52.221 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 0.001 nan 8.150 nan 0.000 0.506 224 D N -2.325 118.058 120.400 -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 0.528 nan 8.370 nan 0.000 0.432 225 A N -0.452 122.276 122.820 -0.152 0.000 2.259 225 A HA 0.165 4.485 4.320 -0.001 0.000 0.213 225 A C 2.110 179.265 177.584 -0.716 0.000 1.209 225 A CA 0.267 51.987 52.037 -0.528 0.000 0.910 225 A CB 0.058 18.861 19.000 -0.329 0.000 0.946 225 A HN 0.274 nan 8.150 nan 0.000 0.497 226 M N 1.362 120.763 119.600 -0.332 0.000 2.149 226 M HA -0.191 4.288 4.480 -0.001 0.000 0.261 226 M C 2.048 178.226 176.300 -0.203 0.000 1.064 226 M CA 2.039 57.195 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 0.709 121.026 120.400 -0.139 0.000 2.089 227 K HA -0.215 4.104 4.320 -0.001 0.000 0.210 227 K C 1.193 177.854 176.600 0.101 0.000 1.048 227 K CA 2.214 58.513 56.287 0.019 0.000 0.926 227 K CB -1.060 31.507 32.500 0.111 0.000 0.714 227 K HN 0.538 nan 8.250 nan 0.000 0.448 228 Y N 0.279 120.628 120.300 0.082 0.000 2.607 228 Y HA 0.455 5.004 4.550 -0.001 0.000 0.266 228 Y C -0.424 175.536 175.900 0.101 0.000 1.178 228 Y CA -0.968 57.215 58.100 0.139 0.000 1.226 228 Y CB -0.049 38.468 38.460 0.096 0.000 1.144 228 Y HN -0.197 nan 8.280 nan 0.000 0.528 229 T N 2.163 116.655 114.554 -0.105 0.000 2.887 229 T HA 0.641 4.991 4.350 -0.001 0.000 0.288 229 T C -0.504 174.195 174.700 -0.002 0.000 1.021 229 T CA -0.527 61.536 62.100 -0.061 0.000 1.000 229 T CB 2.095 70.867 68.868 -0.161 0.000 1.034 229 T HN 0.125 nan 8.240 nan 0.000 0.467 230 I N 1.534 122.124 120.570 0.033 0.000 2.530 230 I HA 0.599 4.768 4.170 -0.001 0.000 0.297 230 I C -0.794 175.358 176.117 0.058 0.000 1.011 230 I CA -1.183 60.146 61.300 0.048 0.000 1.107 230 I CB 2.041 40.085 38.000 0.073 0.000 1.285 230 I HN 0.223 nan 8.210 nan 0.000 0.436 231 V N 6.263 126.212 119.914 0.058 0.000 2.409 231 V HA 0.293 4.412 4.120 -0.001 0.000 0.290 231 V C -0.181 175.957 176.094 0.075 0.000 1.017 231 V CA -0.673 61.689 62.300 0.102 0.000 0.841 231 V CB 1.878 33.761 31.823 0.100 0.000 1.003 231 V HN 0.404 nan 8.190 nan 0.000 0.426 232 V N 3.921 123.870 119.914 0.059 0.000 2.406 232 V HA 0.428 4.547 4.120 -0.001 0.000 0.272 232 V C 0.451 176.565 176.094 0.033 0.000 1.043 232 V CA 0.034 62.352 62.300 0.030 0.000 0.915 232 V CB 1.565 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 3.663 119.385 115.700 0.037 0.000 2.449 233 S HA 0.772 5.241 4.470 -0.001 0.000 0.310 233 S C -0.036 174.584 174.600 0.034 0.000 1.096 233 S CA -0.211 58.016 58.200 0.045 0.000 1.095 233 S CB 1.209 64.442 63.200 0.055 0.000 1.007 233 S HN 1.024 nan 8.310 nan 0.000 0.474 234 A N 3.981 126.821 122.820 0.034 0.000 3.082 234 A HA 0.539 4.858 4.320 -0.001 0.000 0.328 234 A C 0.284 177.899 177.584 0.052 0.000 1.089 234 A CA -0.717 51.346 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 0.753 nan 8.150 nan 0.000 0.474 235 T N -1.450 113.136 114.554 0.053 0.000 2.816 235 T HA 0.547 4.897 4.350 -0.001 0.000 0.282 235 T C 1.699 176.432 174.700 0.056 0.000 0.993 235 T CA 0.014 62.146 62.100 0.054 0.000 0.994 235 T CB 1.155 70.054 68.868 0.051 0.000 1.025 235 T HN 1.225 nan 8.240 nan 0.000 0.529 236 A N 1.322 124.173 122.820 0.053 0.000 1.969 236 A HA -0.213 4.107 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 2.809 54.876 52.037 0.051 0.000 0.667 236 A CB -1.620 17.407 19.000 0.045 0.000 0.826 236 A HN 1.193 nan 8.150 nan 0.000 0.472 237 S N -1.007 114.720 115.700 0.045 0.000 2.548 237 S HA 0.091 4.560 4.470 -0.001 0.000 0.215 237 S C 0.192 174.822 174.600 0.049 0.000 0.976 237 S CA -0.114 58.111 58.200 0.041 0.000 0.908 237 S CB -0.164 63.057 63.200 0.035 0.000 0.781 237 S HN 0.494 nan 8.310 nan 0.000 0.519 238 D N 2.887 123.322 120.400 0.059 0.000 2.399 238 D HA 0.423 5.062 4.640 -0.001 0.000 0.241 238 D C 0.520 176.871 176.300 0.085 0.000 1.133 238 D CA 0.333 54.376 54.000 0.072 0.000 0.890 238 D CB 0.989 41.835 40.800 0.077 0.000 1.201 238 D HN 0.424 nan 8.370 nan 0.000 0.432 239 A N 1.556 124.435 122.820 0.097 0.000 2.555 239 A HA 0.244 4.563 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 52.611 52.037 0.100 0.000 0.759 239 A CB 0.193 19.262 19.000 0.116 0.000 0.995 239 A HN 0.652 nan 8.150 nan 0.000 0.506 240 A N 2.917 125.802 122.820 0.109 0.000 1.903 240 A HA -0.105 4.215 4.320 -0.001 0.000 0.219 240 A C -0.070 177.649 177.584 0.225 0.000 1.191 240 A CA 2.194 54.314 52.037 0.138 0.000 0.638 240 A CB -1.766 17.286 19.000 0.087 0.000 0.823 240 A HN 0.663 nan 8.150 nan 0.000 0.451 241 P HA -0.092 nan 4.420 nan 0.000 0.220 241 P C 1.389 179.021 177.300 0.552 0.000 1.148 241 P CA 0.804 64.147 63.100 0.405 0.000 0.803 241 P CB -0.157 31.667 31.700 0.206 0.000 0.782 242 L N -0.791 120.670 121.223 0.397 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 1.495 56.492 54.840 0.261 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 -0.880 119.036 119.800 0.193 0.000 2.135 243 Q HA -0.282 4.058 4.340 -0.001 0.000 0.204 243 Q C 2.123 178.233 176.000 0.183 0.000 0.981 243 Q CA 2.179 58.075 55.803 0.156 0.000 0.856 243 Q CB -0.395 28.437 28.738 0.155 0.000 0.902 243 Q HN 0.507 nan 8.270 nan 0.000 0.425 244 Y N 1.042 121.442 120.300 0.166 0.000 2.114 244 Y HA -0.250 4.299 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 1.368 59.590 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 0.062 nan 8.280 nan 0.000 0.499 245 L N 0.848 122.013 121.223 -0.096 0.000 2.056 245 L HA -0.052 4.287 4.340 -0.001 0.000 0.207 245 L C 2.651 179.496 176.870 -0.042 0.000 1.078 245 L CA 1.947 56.724 54.840 -0.106 0.000 0.749 245 L CB -1.384 40.678 42.059 0.006 0.000 0.901 245 L HN 0.375 nan 8.230 nan 0.000 0.433 246 A N 0.292 123.091 122.820 -0.035 0.000 1.935 246 A HA -0.304 4.015 4.320 -0.001 0.000 0.224 246 A C 0.009 177.536 177.584 -0.094 0.000 1.324 246 A CA 2.828 54.837 52.037 -0.046 0.000 0.686 246 A CB -2.464 16.525 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 -0.381 0.000 1.163 247 P CA 1.620 64.498 63.100 -0.370 0.000 0.883 247 P CB -0.338 30.916 31.700 -0.742 0.000 0.788 248 Y N -0.089 120.087 120.300 -0.207 0.000 2.165 248 Y HA -0.146 4.403 4.550 -0.001 0.000 0.286 248 Y C 2.743 178.596 175.900 -0.078 0.000 1.155 248 Y CA 1.459 59.464 58.100 -0.158 0.000 1.164 248 Y CB -1.567 36.762 38.460 -0.218 0.000 0.978 248 Y HN -0.081 nan 8.280 nan 0.000 0.513 249 S N -0.037 115.692 115.700 0.049 0.000 2.351 249 S HA -0.217 4.253 4.470 -0.001 0.000 0.220 249 S C 2.484 177.105 174.600 0.036 0.000 1.035 249 S CA 1.483 59.696 58.200 0.021 0.000 1.031 249 S CB -1.166 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 -0.081 108.741 108.800 0.036 0.000 2.442 250 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.219 250 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.219 250 G C 1.731 176.688 174.900 0.096 0.000 1.141 250 G CA 1.154 46.290 45.100 0.059 0.000 0.763 250 G HN 0.591 nan 8.290 nan 0.000 0.554 251 C N 0.390 119.763 119.300 0.121 0.000 2.413 251 C HA -0.033 4.426 4.460 -0.001 0.000 0.276 251 C C 3.281 178.344 174.990 0.123 0.000 1.236 251 C CA 1.725 60.828 59.018 0.140 0.000 1.735 251 C CB -0.973 26.828 27.740 0.102 0.000 2.031 251 C HN 0.376 nan 8.230 nan 0.000 0.474 252 S N 0.374 116.136 115.700 0.103 0.000 2.383 252 S HA -0.170 4.299 4.470 -0.001 0.000 0.229 252 S C 1.690 176.363 174.600 0.122 0.000 1.030 252 S CA 2.005 60.264 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 0.430 120.105 119.600 0.124 0.000 2.394 253 M HA 0.019 4.499 4.480 -0.001 0.000 0.264 253 M C 2.288 178.782 176.300 0.325 0.000 1.073 253 M CA 1.141 56.536 55.300 0.159 0.000 1.111 253 M CB -0.464 32.212 32.600 0.126 0.000 1.401 253 M HN 0.407 nan 8.290 nan 0.000 0.448 254 G N 0.333 109.299 108.800 0.277 0.000 2.494 254 G HA2 -0.091 3.869 3.960 -0.001 0.000 0.216 254 G HA3 -0.091 3.869 3.960 -0.001 0.000 0.216 254 G C 1.260 176.368 174.900 0.347 0.000 1.140 254 G CA 0.116 45.425 45.100 0.349 0.000 0.801 254 G HN 0.488 nan 8.290 nan 0.000 0.536 255 E N -0.414 119.924 120.200 0.230 0.000 2.208 255 E HA -0.098 4.251 4.350 -0.001 0.000 0.193 255 E C 1.852 178.533 176.600 0.134 0.000 0.988 255 E CA 0.428 56.925 56.400 0.161 0.000 0.828 255 E CB -0.235 29.529 29.700 0.107 0.000 0.763 255 E HN 0.580 nan 8.360 nan 0.000 0.478 256 Y N 1.023 121.335 120.300 0.020 0.000 2.081 256 Y HA -0.315 4.234 4.550 -0.001 0.000 0.280 256 Y C 1.722 177.517 175.900 -0.176 0.000 1.163 256 Y CA 1.768 59.778 58.100 -0.149 0.000 1.135 256 Y CB -0.394 37.876 38.460 -0.316 0.000 0.970 256 Y HN -0.076 nan 8.280 nan 0.000 0.498 257 F N 0.264 120.237 119.950 0.038 0.000 2.146 257 F HA -0.115 4.411 4.527 -0.001 0.000 0.298 257 F C 2.797 178.574 175.800 -0.038 0.000 1.096 257 F CA 1.788 59.770 58.000 -0.030 0.000 1.275 257 F CB -0.675 38.413 39.000 0.147 0.000 1.008 257 F HN -0.032 nan 8.300 nan 0.000 0.480 258 R N 0.642 121.268 120.500 0.210 0.000 2.081 258 R HA -0.155 4.184 4.340 -0.001 0.000 0.235 258 R C 1.213 177.550 176.300 0.061 0.000 1.131 258 R CA 1.899 58.085 56.100 0.144 0.000 0.960 258 R CB -0.424 29.956 30.300 0.133 0.000 0.856 258 R HN 0.155 nan 8.270 nan 0.000 0.436 259 D N 0.094 120.492 120.400 -0.003 0.000 2.363 259 D HA -0.027 4.612 4.640 -0.001 0.000 0.220 259 D C -0.004 176.248 176.300 -0.080 0.000 0.994 259 D CA 0.753 54.741 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 0.394 nan 8.370 nan 0.000 0.530 260 N N -0.507 118.097 118.700 -0.161 0.000 2.535 260 N HA 0.247 4.987 4.740 -0.001 0.000 0.294 260 N C 0.724 176.168 175.510 -0.110 0.000 1.408 260 N CA -0.157 52.776 53.050 -0.195 0.000 0.927 260 N CB 1.277 39.513 38.487 -0.418 0.000 1.276 260 N HN -0.061 nan 8.380 nan 0.000 0.505 261 G N 0.893 109.664 108.800 -0.048 0.000 2.244 261 G HA2 -0.359 3.600 3.960 -0.001 0.000 0.274 261 G HA3 -0.359 3.600 3.960 -0.001 0.000 0.274 261 G C 0.235 175.058 174.900 -0.128 0.000 1.002 261 G CA 0.957 46.025 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 -0.062 0.000 2.210 262 K HA 0.701 5.021 4.320 -0.001 0.000 0.236 262 K C -0.013 176.601 176.600 0.023 0.000 1.016 262 K CA -0.784 55.496 56.287 -0.011 0.000 0.913 262 K CB 0.905 33.577 32.500 0.286 0.000 1.141 262 K HN 0.455 nan 8.250 nan 0.000 0.462 263 H N -0.678 118.535 119.070 0.239 0.000 2.529 263 H HA 0.594 5.150 4.556 -0.001 0.000 0.348 263 H C -1.148 174.241 175.328 0.102 0.000 1.079 263 H CA -1.104 55.012 56.048 0.113 0.000 1.198 263 H CB 1.964 31.720 29.762 -0.010 0.000 1.521 263 H HN 0.584 nan 8.280 nan 0.000 0.514 264 A N 2.783 125.712 122.820 0.181 0.000 2.413 264 A HA 0.616 4.935 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 1.503 20.528 19.000 0.042 0.000 1.296 264 A HN 0.501 nan 8.150 nan 0.000 0.423 265 L N 1.964 123.160 121.223 -0.045 0.000 2.376 265 L HA 0.764 5.103 4.340 -0.001 0.000 0.275 265 L C -1.185 175.627 176.870 -0.097 0.000 0.987 265 L CA -0.341 54.463 54.840 -0.060 0.000 0.828 265 L CB 1.215 43.250 42.059 -0.039 0.000 1.249 265 L HN 0.701 nan 8.230 nan 0.000 0.409 266 I N 5.107 125.570 120.570 -0.179 0.000 2.433 266 I HA 0.560 4.730 4.170 -0.001 0.000 0.292 266 I C -1.274 174.551 176.117 -0.485 0.000 1.001 266 I CA -0.694 60.410 61.300 -0.328 0.000 1.119 266 I CB 1.477 39.230 38.000 -0.412 0.000 1.289 266 I HN 0.596 nan 8.210 nan 0.000 0.438 267 I N 8.292 128.611 120.570 -0.418 0.000 2.339 267 I HA 0.237 4.406 4.170 -0.001 0.000 0.290 267 I C -1.029 174.782 176.117 -0.510 0.000 0.994 267 I CA -0.224 60.856 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 4.023 124.196 120.300 -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 -0.929 57.019 58.100 -0.253 0.000 1.287 268 Y CB 0.247 38.562 38.460 -0.243 0.000 1.132 268 Y HN 0.406 nan 8.280 nan 0.000 0.510 269 D N 3.306 123.586 120.400 -0.200 0.000 2.472 269 D HA 0.220 4.859 4.640 -0.001 0.000 0.234 269 D C -1.097 175.154 176.300 -0.083 0.000 1.088 269 D CA -0.414 53.500 54.000 -0.145 0.000 0.882 269 D CB 0.384 41.035 40.800 -0.248 0.000 1.037 269 D HN 0.572 nan 8.370 nan 0.000 0.520 270 D N 0.988 121.369 120.400 -0.031 0.000 2.493 270 D HA 0.263 4.902 4.640 -0.001 0.000 0.239 270 D C 0.935 177.209 176.300 -0.042 0.000 1.049 270 D CA -0.747 53.237 54.000 -0.027 0.000 1.008 270 D CB 1.150 41.949 40.800 -0.001 0.000 1.398 270 D HN 0.117 nan 8.370 nan 0.000 0.513 271 L N 0.225 121.392 121.223 -0.094 0.000 2.591 271 L HA 0.066 4.406 4.340 -0.001 0.000 0.228 271 L C 1.464 178.333 176.870 -0.001 0.000 1.133 271 L CA 0.242 54.975 54.840 -0.178 0.000 0.880 271 L CB -0.151 41.586 42.059 -0.537 0.000 1.033 271 L HN 0.383 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 0.917 59.178 58.200 0.101 0.000 0.965 272 S CB 0.151 63.397 63.200 0.077 0.000 0.864 272 S HN 0.358 nan 8.310 nan 0.000 0.471 273 K N 1.237 121.701 120.400 0.108 0.000 2.211 273 K HA -0.072 4.247 4.320 -0.001 0.000 0.203 273 K C 2.321 179.012 176.600 0.151 0.000 1.050 273 K CA 0.767 57.126 56.287 0.120 0.000 0.945 273 K CB -0.105 32.446 32.500 0.084 0.000 0.732 273 K HN 0.350 nan 8.250 nan 0.000 0.451 274 Q N 0.917 120.805 119.800 0.146 0.000 2.079 274 Q HA -0.133 4.206 4.340 -0.001 0.000 0.200 274 Q C 2.129 178.305 176.000 0.293 0.000 0.974 274 Q CA 1.391 57.309 55.803 0.191 0.000 0.840 274 Q CB -0.084 28.732 28.738 0.130 0.000 0.898 274 Q HN 0.316 nan 8.270 nan 0.000 0.430 275 A N 0.256 123.260 122.820 0.306 0.000 1.917 275 A HA -0.166 4.153 4.320 -0.001 0.000 0.219 275 A C 2.249 180.108 177.584 0.458 0.000 1.182 275 A CA 1.691 53.938 52.037 0.351 0.000 0.633 275 A CB -0.868 18.244 19.000 0.187 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 0.365 0.000 2.287 276 V HA -0.279 3.840 4.120 -0.001 0.000 0.248 276 V C 3.080 179.284 176.094 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 -0.823 122.126 122.820 0.214 0.000 1.883 277 A HA -0.306 4.014 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 2.350 54.512 52.037 0.208 0.000 0.624 277 A CB -0.875 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 0.607 121.018 120.300 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 0.053 0.000 1.152 278 Y CA 2.165 60.330 58.100 0.108 0.000 1.136 278 Y CB -0.677 37.900 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 -0.007 0.000 2.096 279 R HA -0.301 4.038 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 2.251 58.262 56.100 -0.148 0.000 0.952 279 R CB -0.526 29.699 30.300 -0.125 0.000 0.854 279 R HN 0.653 nan 8.270 nan 0.000 0.436 280 Q N 0.301 120.052 119.800 -0.081 0.000 1.993 280 Q HA -0.259 4.080 4.340 -0.001 0.000 0.202 280 Q C 2.251 178.194 176.000 -0.095 0.000 0.984 280 Q CA 2.150 57.911 55.803 -0.070 0.000 0.837 280 Q CB -0.255 28.473 28.738 -0.017 0.000 0.902 280 Q HN 0.502 nan 8.270 nan 0.000 0.423 281 M N -0.041 119.507 119.600 -0.086 0.000 2.082 281 M HA -0.221 4.258 4.480 -0.001 0.000 0.258 281 M C 2.287 178.486 176.300 -0.168 0.000 1.069 281 M CA 2.194 57.425 55.300 -0.115 0.000 1.102 281 M CB -0.255 32.270 32.600 -0.124 0.000 1.336 281 M HN 0.283 nan 8.290 nan 0.000 0.404 282 S N 0.404 115.940 115.700 -0.273 0.000 2.368 282 S HA -0.091 4.378 4.470 -0.001 0.000 0.225 282 S C 1.740 176.225 174.600 -0.193 0.000 1.030 282 S CA 1.319 59.337 58.200 -0.303 0.000 0.999 282 S CB -0.362 62.462 63.200 -0.627 0.000 0.844 282 S HN 0.561 nan 8.310 nan 0.000 0.459 283 L N 0.838 121.960 121.223 -0.169 0.000 2.056 283 L HA -0.010 4.329 4.340 -0.001 0.000 0.207 283 L C 2.073 178.889 176.870 -0.089 0.000 1.078 283 L CA 0.867 55.637 54.840 -0.117 0.000 0.749 283 L CB -0.454 41.539 42.059 -0.109 0.000 0.901 283 L HN 0.305 nan 8.230 nan 0.000 0.433 284 L N -0.522 120.648 121.223 -0.087 0.000 2.450 284 L HA -0.178 4.161 4.340 -0.001 0.000 0.224 284 L C 1.960 178.792 176.870 -0.064 0.000 1.149 284 L CA 0.736 55.535 54.840 -0.068 0.000 0.816 284 L CB -0.258 41.762 42.059 -0.064 0.000 0.932 284 L HN 0.300 nan 8.230 nan 0.000 0.449 285 L N -0.305 120.873 121.223 -0.074 0.000 2.592 285 L HA 0.139 4.479 4.340 -0.001 0.000 0.227 285 L C 0.526 177.367 176.870 -0.048 0.000 1.127 285 L CA -0.123 54.681 54.840 -0.059 0.000 0.884 285 L CB 0.107 42.127 42.059 -0.065 0.000 1.065 285 L HN 0.255 nan 8.230 nan 0.000 0.457 286 R N -0.552 119.917 120.500 -0.052 0.000 3.774 286 R HA -0.162 4.178 4.340 -0.001 0.000 0.320 286 R C -0.117 176.159 176.300 -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 -1.672 54.401 56.100 -0.044 0.000 0.936 287 R CB 0.633 30.899 30.300 -0.056 0.000 1.006 287 R HN -0.139 nan 8.270 nan 0.000 0.452 288 P HA -0.039 nan 4.420 nan 0.000 0.261 288 P C -2.281 175.004 177.300 -0.025 0.000 1.173 288 P CA -0.668 62.417 63.100 -0.024 0.000 0.760 288 P CB -0.021 31.672 31.700 -0.012 0.000 0.783 289 P HA 0.197 nan 4.420 nan 0.000 0.272 289 P C 0.264 177.563 177.300 -0.002 0.000 1.230 289 P CA 0.136 63.217 63.100 -0.031 0.000 0.788 289 P CB 0.872 32.543 31.700 -0.048 0.000 0.949 290 G N 0.511 109.328 108.800 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 -0.673 174.251 174.900 0.041 0.000 1.234 290 G CA -0.949 44.177 45.100 0.042 0.000 0.918 290 G HN 0.556 nan 8.290 nan 0.000 0.602 291 R N 0.392 120.904 120.500 0.020 0.000 2.566 291 R HA 0.046 4.385 4.340 -0.001 0.000 0.273 291 R C 0.401 176.742 176.300 0.068 0.000 0.981 291 R CA 1.320 57.378 56.100 -0.071 0.000 1.091 291 R CB -0.233 29.858 30.300 -0.348 0.000 0.924 291 R HN 0.722 nan 8.270 nan 0.000 0.411 292 E N 2.377 122.598 120.200 0.035 0.000 2.971 292 E HA -0.380 3.969 4.350 -0.001 0.000 0.271 292 E C 0.413 177.027 176.600 0.022 0.000 1.053 292 E CA 0.638 57.109 56.400 0.118 0.000 0.817 292 E CB -1.017 28.882 29.700 0.332 0.000 1.410 292 E HN 0.879 nan 8.360 nan 0.000 0.445 293 A N -2.819 119.991 122.820 -0.017 0.000 3.663 293 A HA -0.287 4.032 4.320 -0.001 0.000 0.254 293 A C 0.167 177.662 177.584 -0.149 0.000 1.037 293 A CA 1.480 53.446 52.037 -0.118 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 0.363 120.697 120.300 0.056 0.000 2.314 294 Y HA 0.471 5.021 4.550 -0.001 0.000 0.334 294 Y C -1.665 174.254 175.900 0.032 0.000 1.266 294 Y CA -1.462 56.669 58.100 0.053 0.000 1.391 294 Y CB -0.039 38.510 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 0.552 63.699 63.100 0.078 0.000 0.777 295 P CB 0.597 32.263 31.700 -0.058 0.000 0.875 296 G N 1.590 110.485 108.800 0.157 0.000 2.559 296 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.216 296 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.216 296 G C 0.418 175.456 174.900 0.230 0.000 1.126 296 G CA 0.386 45.591 45.100 0.175 0.000 0.778 296 G HN 0.617 nan 8.290 nan 0.000 0.543 297 D N 0.575 121.142 120.400 0.280 0.000 2.643 297 D HA 0.071 4.710 4.640 -0.001 0.000 0.244 297 D C 1.804 178.294 176.300 0.317 0.000 1.257 297 D CA -0.199 53.996 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 0.184 nan 8.370 nan 0.000 0.488 298 V N -1.529 118.547 119.914 0.271 0.000 2.515 298 V HA -0.140 3.979 4.120 -0.001 0.000 0.250 298 V C 2.228 178.293 176.094 -0.049 0.000 1.058 298 V CA 0.899 63.248 62.300 0.081 0.000 1.064 298 V CB -1.343 30.435 31.823 -0.075 0.000 0.675 298 V HN 0.196 nan 8.190 nan 0.000 0.461 299 F N 1.224 121.146 119.950 -0.046 0.000 2.046 299 F HA -0.234 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 1.995 59.974 58.000 -0.034 0.000 1.199 299 F CB -0.852 38.166 39.000 0.030 0.000 0.972 299 F HN 0.184 nan 8.300 nan 0.000 0.474 300 Y N 1.040 121.311 120.300 -0.049 0.000 2.139 300 Y HA -0.280 4.269 4.550 -0.001 0.000 0.282 300 Y C 2.338 178.102 175.900 -0.227 0.000 1.179 300 Y CA 1.879 59.863 58.100 -0.194 0.000 1.161 300 Y CB -1.224 37.239 38.460 0.005 0.000 0.970 300 Y HN 0.307 nan 8.280 nan 0.000 0.511 301 L N -0.281 120.762 121.223 -0.301 0.000 2.021 301 L HA -0.300 4.040 4.340 -0.001 0.000 0.215 301 L C 2.203 178.891 176.870 -0.302 0.000 1.074 301 L CA 2.580 57.161 54.840 -0.432 0.000 0.760 301 L CB -0.829 40.910 42.059 -0.533 0.000 0.889 301 L HN 0.394 nan 8.230 nan 0.000 0.433 302 H N -1.592 117.304 119.070 -0.291 0.000 2.465 302 H HA -0.009 4.547 4.556 -0.001 0.000 0.289 302 H C 2.394 177.508 175.328 -0.356 0.000 1.022 302 H CA 0.683 56.537 56.048 -0.323 0.000 1.340 302 H CB 0.072 29.678 29.762 -0.261 0.000 1.437 302 H HN 0.576 nan 8.280 nan 0.000 0.539 303 S N 1.299 116.782 115.700 -0.361 0.000 2.348 303 S HA -0.245 4.224 4.470 -0.001 0.000 0.221 303 S C 2.065 176.554 174.600 -0.186 0.000 1.033 303 S CA 1.073 59.051 58.200 -0.371 0.000 1.010 303 S CB -0.339 62.454 63.200 -0.678 0.000 0.891 303 S HN 0.295 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 -0.159 4.180 4.340 -0.001 0.000 0.248 304 R C 2.428 178.684 176.300 -0.073 0.000 1.143 304 R CA 1.899 57.923 56.100 -0.127 0.000 0.957 304 R CB -0.627 29.445 30.300 -0.379 0.000 0.867 304 R HN 0.546 nan 8.270 nan 0.000 0.441 305 L N 0.399 121.552 121.223 -0.116 0.000 1.993 305 L HA -0.084 4.255 4.340 -0.001 0.000 0.206 305 L C 1.935 178.709 176.870 -0.160 0.000 1.074 305 L CA 1.622 56.345 54.840 -0.194 0.000 0.746 305 L CB -0.331 41.424 42.059 -0.507 0.000 0.896 305 L HN 0.183 nan 8.230 nan 0.000 0.435 306 L N -0.332 120.791 121.223 -0.166 0.000 2.362 306 L HA -0.111 4.228 4.340 -0.001 0.000 0.219 306 L C 2.422 179.276 176.870 -0.026 0.000 1.134 306 L CA 0.564 55.364 54.840 -0.067 0.000 0.807 306 L CB -0.701 41.311 42.059 -0.078 0.000 0.927 306 L HN 0.375 nan 8.230 nan 0.000 0.447 307 E N 0.491 120.670 120.200 -0.035 0.000 2.268 307 E HA -0.152 4.198 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 0.671 57.064 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 0.659 121.163 120.500 0.008 0.000 2.148 308 R HA 0.003 4.342 4.340 -0.001 0.000 0.227 308 R C 1.043 177.364 176.300 0.035 0.000 1.103 308 R CA 0.638 56.753 56.100 0.025 0.000 0.983 308 R CB -0.132 30.191 30.300 0.038 0.000 0.874 308 R HN -0.060 nan 8.270 nan 0.000 0.451 309 A N 1.066 123.911 122.820 0.042 0.000 2.492 309 A HA 0.524 4.843 4.320 -0.001 0.000 0.254 309 A C -0.132 177.461 177.584 0.016 0.000 1.091 309 A CA 0.361 52.420 52.037 0.037 0.000 0.768 309 A CB 0.208 19.232 19.000 0.039 0.000 1.028 309 A HN 0.351 nan 8.150 nan 0.000 0.498 310 A N 2.301 125.129 122.820 0.012 0.000 2.586 310 A HA 0.693 5.012 4.320 -0.001 0.000 0.291 310 A C -0.874 176.710 177.584 0.000 0.000 1.062 310 A CA -0.741 51.295 52.037 -0.003 0.000 0.666 310 A CB 0.957 19.949 19.000 -0.013 0.000 1.281 310 A HN 0.907 nan 8.150 nan 0.000 0.421 311 K N 1.663 122.056 120.400 -0.011 0.000 2.316 311 K HA 0.598 4.917 4.320 -0.001 0.000 0.267 311 K C -0.568 176.033 176.600 0.000 0.000 1.025 311 K CA -0.307 55.979 56.287 -0.001 0.000 0.896 311 K CB 0.393 32.884 32.500 -0.014 0.000 1.124 311 K HN 0.620 nan 8.250 nan 0.000 0.451 312 M N 2.995 122.611 119.600 0.026 0.000 2.274 312 M HA 0.212 4.691 4.480 -0.001 0.000 0.344 312 M C 0.320 176.669 176.300 0.081 0.000 1.161 312 M CA -0.738 54.574 55.300 0.019 0.000 1.126 312 M CB 0.447 33.084 32.600 0.061 0.000 1.522 312 M HN 0.716 nan 8.290 nan 0.000 0.461 313 N N 1.057 119.827 118.700 0.117 0.000 2.381 313 N HA 0.057 4.797 4.740 -0.001 0.000 0.254 313 N C 0.129 175.751 175.510 0.186 0.000 1.264 313 N CA -0.239 52.902 53.050 0.152 0.000 0.942 313 N CB 0.427 39.016 38.487 0.169 0.000 1.190 313 N HN 0.426 nan 8.380 nan 0.000 0.495 314 D N -0.328 120.143 120.400 0.119 0.000 2.182 314 D HA -0.156 4.483 4.640 -0.001 0.000 0.201 314 D C 1.580 177.917 176.300 0.062 0.000 0.986 314 D CA 1.654 55.701 54.000 0.079 0.000 0.847 314 D CB -0.502 40.325 40.800 0.045 0.000 0.942 314 D HN 0.733 nan 8.370 nan 0.000 0.467 315 A N -0.135 122.736 122.820 0.085 0.000 2.070 315 A HA -0.137 4.182 4.320 -0.001 0.000 0.220 315 A C 1.237 178.649 177.584 -0.286 0.000 1.159 315 A CA 0.896 52.882 52.037 -0.085 0.000 0.656 315 A CB -0.472 18.477 19.000 -0.085 0.000 0.800 315 A HN 0.171 nan 8.150 nan 0.000 0.453 316 F N -1.692 118.258 119.950 0.000 0.000 2.698 316 F HA 0.452 4.978 4.527 -0.001 0.000 0.304 316 F C 1.580 177.375 175.800 -0.009 0.000 1.108 316 F CA 0.218 58.216 58.000 -0.004 0.000 1.263 316 F CB 0.547 39.547 39.000 0.001 0.000 1.013 316 F HN 0.288 nan 8.300 nan 0.000 0.532 317 G N -0.499 108.367 108.800 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 1.316 176.257 174.900 0.068 0.000 0.994 317 G CA -0.127 45.007 45.100 0.057 0.000 0.637 317 G HN 1.014 nan 8.290 nan 0.000 0.505 318 G N -0.234 108.634 108.800 0.113 0.000 2.186 318 G HA2 0.123 4.082 3.960 -0.001 0.000 0.266 318 G HA3 0.123 4.082 3.960 -0.001 0.000 0.266 318 G C 1.546 176.550 174.900 0.173 0.000 0.982 318 G CA 1.289 46.462 45.100 0.121 0.000 0.670 318 G HN 2.098 nan 8.290 nan 0.000 0.533 319 G N -0.629 108.252 108.800 0.135 0.000 2.653 319 G HA2 0.703 4.662 3.960 -0.001 0.000 0.265 319 G HA3 0.703 4.662 3.960 -0.001 0.000 0.265 319 G C 0.332 175.380 174.900 0.246 0.000 1.237 319 G CA 1.066 46.278 45.100 0.185 0.000 0.946 319 G HN 1.897 nan 8.290 nan 0.000 0.522 320 S N -1.911 113.976 115.700 0.312 0.000 2.615 320 S HA 0.602 5.072 4.470 -0.001 0.000 0.269 320 S C -1.761 172.920 174.600 0.135 0.000 1.161 320 S CA -0.797 57.495 58.200 0.153 0.000 0.817 320 S CB 1.845 65.064 63.200 0.030 0.000 1.131 320 S HN 1.179 nan 8.310 nan 0.000 0.467 321 L N 1.450 122.713 121.223 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 1.853 43.956 42.059 0.073 0.000 1.253 321 L HN 0.958 nan 8.230 nan 0.000 0.406 322 T N 4.233 118.774 114.554 -0.022 0.000 2.797 322 T HA 0.869 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 70.296 68.868 -0.065 0.000 0.943 322 T HN 0.794 nan 8.240 nan 0.000 0.444 323 A N 3.284 126.073 122.820 -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 -0.073 0.000 1.118 323 A CA -0.744 51.237 52.037 -0.094 0.000 0.783 323 A CB 0.775 19.793 19.000 0.031 0.000 1.236 323 A HN 0.863 nan 8.150 nan 0.000 0.457 324 L N 3.987 125.130 121.223 -0.133 0.000 2.445 324 L HA 0.321 4.661 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 -1.725 53.073 54.840 -0.070 0.000 0.943 324 L CB 1.639 43.663 42.059 -0.059 0.000 1.277 324 L HN 0.484 nan 8.230 nan 0.000 0.465 325 P HA 0.202 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 -0.196 62.952 63.100 0.079 0.000 0.794 325 P CB 1.989 33.718 31.700 0.049 0.000 0.955 326 V N 3.979 123.887 119.914 -0.010 0.000 2.581 326 V HA 0.485 4.604 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 -0.599 61.697 62.300 -0.007 0.000 0.907 326 V CB 1.859 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 2.860 123.430 120.570 -0.001 0.000 2.619 327 I HA 0.408 4.577 4.170 -0.001 0.000 0.292 327 I C -0.245 175.896 176.117 0.039 0.000 1.100 327 I CA -0.428 60.875 61.300 0.004 0.000 1.043 327 I CB 2.245 40.242 38.000 -0.005 0.000 1.239 327 I HN 0.824 nan 8.210 nan 0.000 0.420 328 E N 4.737 124.965 120.200 0.046 0.000 2.115 328 E HA 0.403 4.753 4.350 -0.001 0.000 0.282 328 E C -0.387 176.258 176.600 0.076 0.000 0.987 328 E CA -0.387 56.049 56.400 0.060 0.000 0.797 328 E CB 1.068 30.800 29.700 0.055 0.000 1.086 328 E HN 0.697 nan 8.360 nan 0.000 0.397 329 T N 1.913 116.525 114.554 0.097 0.000 2.824 329 T HA 0.327 4.677 4.350 -0.001 0.000 0.277 329 T C -0.021 174.736 174.700 0.095 0.000 0.975 329 T CA -0.924 61.241 62.100 0.108 0.000 0.966 329 T CB 1.264 70.231 68.868 0.166 0.000 1.054 329 T HN 0.437 nan 8.240 nan 0.000 0.533 330 Q N -0.094 119.762 119.800 0.094 0.000 2.353 330 Q HA 0.552 4.891 4.340 -0.001 0.000 0.268 330 Q C -0.077 175.973 176.000 0.084 0.000 1.045 330 Q CA -0.721 55.130 55.803 0.080 0.000 0.811 330 Q CB 1.936 30.719 28.738 0.075 0.000 1.305 330 Q HN 1.278 nan 8.270 nan 0.000 0.447 331 A N 1.632 124.497 122.820 0.075 0.000 2.560 331 A HA -0.172 4.147 4.320 -0.001 0.000 0.299 331 A C 1.147 178.794 177.584 0.105 0.000 1.484 331 A CA 1.014 53.096 52.037 0.077 0.000 0.749 331 A CB -2.199 16.840 19.000 0.065 0.000 1.072 331 A HN 1.492 nan 8.150 nan 0.000 0.426 332 G N -0.249 108.630 108.800 0.132 0.000 2.453 332 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.313 332 G HA3 -0.249 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 1.296 46.533 45.100 0.229 0.000 0.846 332 G HN 1.707 nan 8.290 nan 0.000 0.512 333 D N -0.275 120.208 120.400 0.138 0.000 2.422 333 D HA 0.381 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 0.065 54.110 54.000 0.076 0.000 0.905 333 D CB 0.709 41.548 40.800 0.065 0.000 1.034 333 D HN 0.275 nan 8.370 nan 0.000 0.507 334 V N 1.292 121.157 119.914 -0.082 0.000 3.217 334 V HA -0.044 4.075 4.120 -0.001 0.000 0.264 334 V C 1.744 177.772 176.094 -0.111 0.000 1.135 334 V CA 0.847 63.032 62.300 -0.192 0.000 1.142 334 V CB -0.435 31.074 31.823 -0.523 0.000 0.754 334 V HN 0.355 nan 8.190 nan 0.000 0.484 335 S N 1.088 116.750 115.700 -0.062 0.000 2.461 335 S HA 0.318 4.788 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 0.478 58.662 58.200 -0.027 0.000 0.942 335 S CB -0.434 62.757 63.200 -0.015 0.000 0.776 335 S HN 0.915 nan 8.310 nan 0.000 0.514 336 A N 1.551 124.391 122.820 0.034 0.000 2.616 336 A HA -0.016 4.304 4.320 -0.001 0.000 0.234 336 A C 0.947 178.596 177.584 0.107 0.000 1.024 336 A CA 0.115 52.201 52.037 0.082 0.000 0.758 336 A CB -0.413 18.633 19.000 0.077 0.000 0.939 336 A HN 0.440 nan 8.150 nan 0.000 0.510 337 Y N 2.973 123.285 120.300 0.020 0.000 2.030 337 Y HA -0.303 4.246 4.550 -0.001 0.000 0.272 337 Y C 1.684 177.590 175.900 0.009 0.000 1.185 337 Y CA 2.738 60.847 58.100 0.015 0.000 1.120 337 Y CB -0.523 37.955 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 -0.193 0.000 2.113 338 I HA -0.202 3.967 4.170 -0.001 0.000 0.238 338 I C -0.621 175.416 176.117 -0.134 0.000 1.070 338 I CA 1.725 62.846 61.300 -0.299 0.000 1.332 338 I CB -1.682 36.174 38.000 -0.239 0.000 1.044 338 I HN 0.166 nan 8.210 nan 0.000 0.402 339 P HA -0.228 nan 4.420 nan 0.000 0.217 339 P C 1.686 178.962 177.300 -0.040 0.000 1.162 339 P CA 2.781 65.864 63.100 -0.029 0.000 0.901 339 P CB -0.386 31.307 31.700 -0.012 0.000 0.793 340 T N -4.439 110.091 114.554 -0.040 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 1.565 120.220 118.700 -0.076 0.000 2.036 341 N HA -0.081 4.658 4.740 -0.001 0.000 0.195 341 N C 1.909 177.489 175.510 0.117 0.000 1.037 341 N CA 1.448 54.492 53.050 -0.009 0.000 0.855 341 N CB -0.807 37.613 38.487 -0.111 0.000 1.033 341 N HN 0.380 nan 8.380 nan 0.000 0.423 342 V N 1.068 121.013 119.914 0.052 0.000 2.453 342 V HA -0.062 4.057 4.120 -0.001 0.000 0.247 342 V C 2.161 178.274 176.094 0.032 0.000 1.048 342 V CA 0.894 63.221 62.300 0.045 0.000 1.049 342 V CB -0.381 31.432 31.823 -0.017 0.000 0.672 342 V HN 0.260 nan 8.190 nan 0.000 0.457 343 I N 1.599 122.179 120.570 0.015 0.000 2.567 343 I HA -0.170 3.999 4.170 -0.001 0.000 0.257 343 I C 2.193 178.330 176.117 0.033 0.000 1.184 343 I CA 1.736 63.042 61.300 0.010 0.000 1.451 343 I CB -0.284 37.706 38.000 -0.016 0.000 1.089 343 I HN 0.493 nan 8.210 nan 0.000 0.441 344 S N -0.564 115.175 115.700 0.066 0.000 2.671 344 S HA 0.223 4.692 4.470 -0.001 0.000 0.220 344 S C 1.262 175.955 174.600 0.154 0.000 0.951 344 S CA -0.075 58.181 58.200 0.092 0.000 0.932 344 S CB -0.153 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 1.044 121.687 120.570 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 38.191 38.000 0.042 0.000 1.432 345 I HN 0.355 nan 8.210 nan 0.000 0.454 346 T N -1.549 113.022 114.554 0.027 0.000 2.754 346 T HA 0.083 4.432 4.350 -0.001 0.000 0.286 346 T C 0.285 174.996 174.700 0.018 0.000 0.997 346 T CA -0.355 61.755 62.100 0.015 0.000 0.982 346 T CB 0.614 69.487 68.868 0.008 0.000 1.027 346 T HN 0.028 nan 8.240 nan 0.000 0.529 347 D N 0.824 121.231 120.400 0.011 0.000 2.690 347 D HA 0.421 5.060 4.640 -0.001 0.000 0.236 347 D C 0.916 177.221 176.300 0.009 0.000 1.218 347 D CA 0.327 54.333 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 -1.801 173.111 174.900 0.020 0.000 1.349 348 G CA -1.018 44.091 45.100 0.015 0.000 1.000 348 G HN 0.090 nan 8.290 nan 0.000 0.605 349 Q N -1.266 118.552 119.800 0.031 0.000 2.435 349 Q HA 0.745 5.084 4.340 -0.001 0.000 0.282 349 Q C -0.731 175.315 176.000 0.076 0.000 1.020 349 Q CA -0.623 55.209 55.803 0.048 0.000 0.820 349 Q CB 2.158 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 1.988 122.613 120.570 0.092 0.000 2.359 350 I HA 0.389 4.559 4.170 -0.001 0.000 0.284 350 I C -1.147 175.075 176.117 0.175 0.000 1.018 350 I CA -0.723 60.640 61.300 0.104 0.000 1.173 350 I CB 0.628 38.664 38.000 0.059 0.000 1.326 350 I HN 0.517 nan 8.210 nan 0.000 0.462 351 F N 8.126 128.087 119.950 0.017 0.000 2.404 351 F HA 0.554 5.080 4.527 -0.001 0.000 0.354 351 F C -0.850 174.966 175.800 0.026 0.000 1.122 351 F CA -0.750 57.262 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 6.158 127.145 121.223 -0.394 0.000 2.275 352 L HA 0.446 4.785 4.340 -0.001 0.000 0.288 352 L C -0.294 176.226 176.870 -0.583 0.000 1.046 352 L CA -0.506 54.115 54.840 -0.364 0.000 0.805 352 L CB 1.399 43.368 42.059 -0.149 0.000 1.193 352 L HN 0.586 nan 8.230 nan 0.000 0.426 353 E N 0.254 120.199 120.200 -0.425 0.000 2.195 353 E HA 0.185 4.534 4.350 -0.001 0.000 0.271 353 E C 0.513 177.040 176.600 -0.121 0.000 0.923 353 E CA -0.287 55.915 56.400 -0.330 0.000 0.790 353 E CB 2.105 31.662 29.700 -0.238 0.000 1.155 353 E HN 0.699 nan 8.360 nan 0.000 0.402 354 T N -0.789 113.719 114.554 -0.076 0.000 2.951 354 T HA -0.151 4.198 4.350 -0.001 0.000 0.268 354 T C 1.504 176.292 174.700 0.147 0.000 1.073 354 T CA 1.042 63.128 62.100 -0.023 0.000 1.134 354 T CB 0.089 68.980 68.868 0.039 0.000 0.884 354 T HN 0.544 nan 8.240 nan 0.000 0.479 355 E N 1.073 121.346 120.200 0.121 0.000 2.031 355 E HA -0.122 4.228 4.350 -0.001 0.000 0.193 355 E C 2.203 178.886 176.600 0.140 0.000 0.994 355 E CA 1.200 57.692 56.400 0.154 0.000 0.800 355 E CB -0.338 29.420 29.700 0.096 0.000 0.752 355 E HN 0.589 nan 8.360 nan 0.000 0.447 356 L N 0.059 121.329 121.223 0.078 0.000 2.012 356 L HA -0.174 4.166 4.340 -0.001 0.000 0.210 356 L C 2.589 179.496 176.870 0.060 0.000 1.073 356 L CA 1.317 56.189 54.840 0.054 0.000 0.748 356 L CB -0.591 41.477 42.059 0.014 0.000 0.891 356 L HN 0.213 nan 8.230 nan 0.000 0.431 357 F N -0.059 119.817 119.950 -0.123 0.000 2.065 357 F HA -0.316 4.211 4.527 -0.001 0.000 0.298 357 F C 2.409 178.074 175.800 -0.226 0.000 1.112 357 F CA 1.706 59.572 58.000 -0.223 0.000 1.212 357 F CB -0.428 38.348 39.000 -0.373 0.000 0.975 357 F HN -0.062 nan 8.300 nan 0.000 0.476 358 Y N 0.294 120.774 120.300 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 1.547 59.760 58.100 0.188 0.000 1.181 358 Y CB -0.850 37.699 38.460 0.148 0.000 0.989 358 Y HN -0.004 nan 8.280 nan 0.000 0.527 359 K N -0.837 119.672 120.400 0.182 0.000 2.442 359 K HA -0.037 4.282 4.320 -0.001 0.000 0.198 359 K C 1.487 178.110 176.600 0.038 0.000 1.044 359 K CA 0.930 57.277 56.287 0.100 0.000 0.948 359 K CB -0.313 32.235 32.500 0.081 0.000 0.762 359 K HN 0.526 nan 8.250 nan 0.000 0.472 360 G N 0.225 109.012 108.800 -0.022 0.000 2.253 360 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.209 360 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.209 360 G C 0.045 174.879 174.900 -0.111 0.000 0.997 360 G CA -0.327 44.728 45.100 -0.074 0.000 0.640 360 G HN 0.105 nan 8.290 nan 0.000 0.496 361 I N 2.947 123.470 120.570 -0.079 0.000 2.455 361 I HA 0.268 4.437 4.170 -0.001 0.000 0.303 361 I C 0.660 176.697 176.117 -0.134 0.000 1.180 361 I CA 0.485 61.742 61.300 -0.072 0.000 1.469 361 I CB -0.939 37.051 38.000 -0.017 0.000 1.480 361 I HN 0.181 nan 8.210 nan 0.000 0.669 362 R N 6.242 126.633 120.500 -0.182 0.000 2.480 362 R HA 0.469 4.808 4.340 -0.001 0.000 0.306 362 R C -2.570 173.654 176.300 -0.127 0.000 0.958 362 R CA -1.848 54.120 56.100 -0.221 0.000 0.861 362 R CB 1.813 31.862 30.300 -0.419 0.000 1.171 362 R HN 0.157 nan 8.270 nan 0.000 0.445 363 P HA -0.051 nan 4.420 nan 0.000 0.267 363 P C -0.120 177.156 177.300 -0.040 0.000 1.200 363 P CA 0.158 63.225 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 3.690 126.512 122.820 0.004 0.000 2.543 364 A HA 0.108 4.428 4.320 -0.001 0.000 0.258 364 A C 0.596 178.153 177.584 -0.045 0.000 1.391 364 A CA -0.136 51.899 52.037 -0.003 0.000 1.066 364 A CB -1.489 17.549 19.000 0.063 0.000 0.972 364 A HN 0.490 nan 8.150 nan 0.000 0.560 365 I N 1.192 121.747 120.570 -0.025 0.000 2.618 365 I HA -0.053 4.116 4.170 -0.001 0.000 0.284 365 I C 0.677 176.794 176.117 0.000 0.000 1.146 365 I CA -0.052 61.240 61.300 -0.014 0.000 1.425 365 I CB 0.390 38.398 38.000 0.012 0.000 1.383 365 I HN 0.328 nan 8.210 nan 0.000 0.562 366 N N 6.966 125.673 118.700 0.012 0.000 2.521 366 N HA 0.092 4.831 4.740 -0.001 0.000 0.236 366 N C 0.773 176.349 175.510 0.110 0.000 1.067 366 N CA -0.089 53.004 53.050 0.071 0.000 0.939 366 N CB 1.171 39.734 38.487 0.128 0.000 1.201 366 N HN 0.441 nan 8.380 nan 0.000 0.511 367 V N 3.956 123.919 119.914 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 2.571 64.917 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 -0.663 108.187 108.800 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 1.479 176.423 174.900 0.075 0.000 1.180 368 G CA 1.210 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 0.891 122.184 121.223 0.116 0.000 2.492 369 L HA 0.152 4.491 4.340 -0.001 0.000 0.223 369 L C 0.870 177.798 176.870 0.097 0.000 1.132 369 L CA -0.186 54.713 54.840 0.098 0.000 0.850 369 L CB -0.033 42.117 42.059 0.152 0.000 0.966 369 L HN 0.053 nan 8.230 nan 0.000 0.454 370 S N 0.056 115.830 115.700 0.122 0.000 2.610 370 S HA 0.561 5.030 4.470 -0.001 0.000 0.273 370 S C -0.124 174.511 174.600 0.058 0.000 1.274 370 S CA -0.622 57.639 58.200 0.101 0.000 1.023 370 S CB 2.097 65.361 63.200 0.108 0.000 0.962 370 S HN 0.095 nan 8.310 nan 0.000 0.523 371 V N -0.955 118.985 119.914 0.043 0.000 3.206 371 V HA 0.946 5.065 4.120 -0.001 0.000 0.305 371 V C -0.736 175.372 176.094 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 33.625 31.823 0.019 0.000 1.075 371 V HN 0.784 nan 8.190 nan 0.000 0.443 372 S N 0.544 116.253 115.700 0.016 0.000 2.733 372 S HA 0.519 4.989 4.470 -0.001 0.000 0.294 372 S C 0.377 174.981 174.600 0.007 0.000 1.149 372 S CA -0.766 57.441 58.200 0.010 0.000 1.034 372 S CB 1.664 64.868 63.200 0.007 0.000 1.015 372 S HN 0.855 nan 8.310 nan 0.000 0.486 373 R N 3.168 123.671 120.500 0.006 0.000 2.323 373 R HA 0.104 4.443 4.340 -0.001 0.000 0.198 373 R C 1.028 177.329 176.300 0.001 0.000 0.988 373 R CA 0.445 56.548 56.100 0.005 0.000 1.041 373 R CB -0.149 30.155 30.300 0.007 0.000 0.926 373 R HN 0.509 nan 8.270 nan 0.000 0.476 374 V N 0.140 120.053 119.914 -0.002 0.000 2.992 374 V HA 0.106 4.226 4.120 -0.001 0.000 0.250 374 V C 1.348 177.439 176.094 -0.005 0.000 1.090 374 V CA 1.089 63.385 62.300 -0.007 0.000 1.101 374 V CB -0.076 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 1.148 109.946 108.800 -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 0.571 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 -0.335 115.363 115.700 -0.003 0.000 2.474 376 S HA 0.229 4.698 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 1.626 59.824 58.200 -0.003 0.000 0.949 376 S CB -0.350 62.850 63.200 -0.000 0.000 0.766 376 S HN 2.174 nan 8.310 nan 0.000 0.517 377 A N 1.207 124.021 122.820 -0.009 0.000 2.194 377 A HA 0.307 4.626 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 1.340 53.369 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 0.913 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 51.791 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 0.553 nan 8.150 nan 0.000 0.516 379 Q N 0.666 120.453 119.800 -0.021 0.000 2.309 379 Q HA 0.426 4.765 4.340 -0.001 0.000 0.264 379 Q C 0.041 176.034 176.000 -0.012 0.000 1.008 379 Q CA -0.512 55.282 55.803 -0.014 0.000 0.853 379 Q CB 1.849 30.584 28.738 -0.005 0.000 1.314 379 Q HN 0.474 nan 8.270 nan 0.000 0.448 380 T N -0.702 113.847 114.554 -0.009 0.000 2.856 380 T HA 0.112 4.461 4.350 -0.001 0.000 0.306 380 T C 0.903 175.605 174.700 0.003 0.000 1.062 380 T CA -0.224 61.873 62.100 -0.005 0.000 1.083 380 T CB 0.822 69.691 68.868 0.001 0.000 0.984 380 T HN 0.583 nan 8.240 nan 0.000 0.542 381 R N 1.530 122.033 120.500 0.004 0.000 2.120 381 R HA 0.067 4.406 4.340 -0.001 0.000 0.234 381 R C 2.797 179.107 176.300 0.018 0.000 1.123 381 R CA 1.507 57.612 56.100 0.010 0.000 0.975 381 R CB -1.084 29.221 30.300 0.009 0.000 0.866 381 R HN 0.857 nan 8.270 nan 0.000 0.446 382 A N 0.549 123.379 122.820 0.017 0.000 1.865 382 A HA -0.265 4.055 4.320 -0.001 0.000 0.217 382 A C 2.119 179.725 177.584 0.036 0.000 1.191 382 A CA 1.906 53.958 52.037 0.026 0.000 0.623 382 A CB -0.513 18.498 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 2.018 178.335 176.300 0.027 0.000 1.067 383 M CA 2.326 57.644 55.300 0.030 0.000 1.124 383 M CB -0.402 32.211 32.600 0.022 0.000 1.353 383 M HN 0.415 nan 8.290 nan 0.000 0.410 384 K N -0.500 119.912 120.400 0.019 0.000 2.074 384 K HA -0.259 4.060 4.320 -0.001 0.000 0.209 384 K C 2.012 178.624 176.600 0.021 0.000 1.048 384 K CA 2.069 58.365 56.287 0.015 0.000 0.926 384 K CB -0.199 32.307 32.500 0.010 0.000 0.713 384 K HN 0.571 nan 8.250 nan 0.000 0.444 385 Q N -0.008 119.810 119.800 0.030 0.000 2.030 385 Q HA -0.175 4.164 4.340 -0.001 0.000 0.204 385 Q C 2.225 178.251 176.000 0.045 0.000 0.986 385 Q CA 2.269 58.096 55.803 0.040 0.000 0.843 385 Q CB -0.185 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 -2.706 117.244 119.914 0.060 0.000 2.407 386 V HA 0.073 4.192 4.120 -0.001 0.000 0.245 386 V C 1.621 177.727 176.094 0.020 0.000 1.041 386 V CA 1.591 63.925 62.300 0.057 0.000 1.040 386 V CB -0.558 31.325 31.823 0.100 0.000 0.671 386 V HN 0.238 nan 8.190 nan 0.000 0.455 387 A N 0.399 123.231 122.820 0.020 0.000 2.460 387 A HA 0.584 4.904 4.320 -0.001 0.000 0.258 387 A C 1.931 179.518 177.584 0.004 0.000 1.300 387 A CA 0.515 52.557 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 0.553 109.355 108.800 0.004 0.000 2.469 388 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.219 388 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.219 388 G C 1.461 176.360 174.900 -0.002 0.000 1.150 388 G CA 2.000 47.101 45.100 0.002 0.000 0.763 388 G HN 0.778 nan 8.290 nan 0.000 0.561 389 T N -3.231 111.318 114.554 -0.007 0.000 3.040 389 T HA 0.288 4.637 4.350 -0.001 0.000 0.266 389 T C 2.071 176.767 174.700 -0.008 0.000 1.005 389 T CA 0.547 62.642 62.100 -0.008 0.000 0.906 389 T CB 0.092 68.952 68.868 -0.014 0.000 1.082 389 T HN 0.134 nan 8.240 nan 0.000 0.531 390 M N 1.317 120.910 119.600 -0.011 0.000 2.108 390 M HA -0.149 4.330 4.480 -0.001 0.000 0.257 390 M C 2.321 178.624 176.300 0.005 0.000 1.071 390 M CA 1.847 57.141 55.300 -0.011 0.000 1.093 390 M CB -0.223 32.369 32.600 -0.013 0.000 1.345 390 M HN 0.263 nan 8.290 nan 0.000 0.403 391 K N 0.289 120.697 120.400 0.012 0.000 1.991 391 K HA -0.178 4.141 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 1.732 58.033 56.287 0.023 0.000 0.932 391 K CB -0.325 32.188 32.500 0.022 0.000 0.717 391 K HN 0.414 nan 8.250 nan 0.000 0.441 392 L N 0.531 121.767 121.223 0.021 0.000 2.456 392 L HA -0.121 4.219 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 0.814 55.667 54.840 0.022 0.000 0.825 392 L CB -0.292 41.773 42.059 0.012 0.000 0.937 392 L HN 0.397 nan 8.230 nan 0.000 0.450 393 E N 0.761 120.977 120.200 0.026 0.000 2.051 393 E HA -0.155 4.194 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 0.662 57.080 56.400 0.030 0.000 0.803 393 E CB 0.076 29.775 29.700 -0.001 0.000 0.761 393 E HN 0.420 nan 8.360 nan 0.000 0.451 394 L N 0.474 121.748 121.223 0.085 0.000 2.141 394 L HA -0.128 4.211 4.340 -0.001 0.000 0.209 394 L C 2.537 179.515 176.870 0.180 0.000 1.094 394 L CA 0.914 55.856 54.840 0.171 0.000 0.763 394 L CB -0.351 41.781 42.059 0.121 0.000 0.908 394 L HN 0.227 nan 8.230 nan 0.000 0.437 395 A N -0.706 122.174 122.820 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 1.285 53.360 52.037 0.064 0.000 0.616 395 A CB -0.479 18.547 19.000 0.042 0.000 0.832 395 A HN 0.348 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 4.163 4.340 -0.001 0.000 0.209 396 Q C 1.736 177.788 176.000 0.086 0.000 0.977 396 Q CA 1.558 57.389 55.803 0.048 0.000 0.885 396 Q CB -0.375 28.387 28.738 0.039 0.000 0.941 396 Q HN 0.922 nan 8.270 nan 0.000 0.464 397 Y N 0.774 121.075 120.300 0.002 0.000 2.269 397 Y HA -0.028 4.521 4.550 -0.001 0.000 0.294 397 Y C 2.018 177.930 175.900 0.019 0.000 1.120 397 Y CA 1.104 59.208 58.100 0.006 0.000 1.159 397 Y CB -0.118 38.343 38.460 0.002 0.000 1.024 397 Y HN -0.093 nan 8.280 nan 0.000 0.532 398 R N 0.424 120.719 120.500 -0.343 0.000 2.096 398 R HA -0.153 4.187 4.340 -0.001 0.000 0.235 398 R C 2.308 178.473 176.300 -0.224 0.000 1.127 398 R CA 1.434 57.289 56.100 -0.408 0.000 0.968 398 R CB -0.346 29.861 30.300 -0.155 0.000 0.861 398 R HN 0.339 nan 8.270 nan 0.000 0.440 399 E N 0.752 120.889 120.200 -0.106 0.000 2.001 399 E HA -0.159 4.190 4.350 -0.001 0.000 0.195 399 E C 2.039 178.628 176.600 -0.018 0.000 1.002 399 E CA 2.056 58.429 56.400 -0.044 0.000 0.819 399 E CB -0.195 29.485 29.700 -0.034 0.000 0.769 399 E HN 0.153 nan 8.360 nan 0.000 0.454 400 V N 0.667 120.576 119.914 -0.007 0.000 2.380 400 V HA -0.240 3.879 4.120 -0.001 0.000 0.251 400 V C 2.620 178.726 176.094 0.020 0.000 1.063 400 V CA 2.245 64.582 62.300 0.063 0.000 1.055 400 V CB -1.639 30.230 31.823 0.078 0.000 0.657 400 V HN 0.335 nan 8.190 nan 0.000 0.455 401 A N 0.491 123.243 122.820 -0.112 0.000 1.978 401 A HA 0.018 4.337 4.320 -0.001 0.000 0.220 401 A C 2.414 179.966 177.584 -0.054 0.000 1.170 401 A CA 2.389 54.342 52.037 -0.140 0.000 0.636 401 A CB -0.768 17.979 19.000 -0.421 0.000 0.810 401 A HN 0.827 nan 8.150 nan 0.000 0.448 402 A N -1.410 121.399 122.820 -0.019 0.000 1.861 402 A HA 0.111 4.430 4.320 -0.001 0.000 0.212 402 A C 1.859 179.528 177.584 0.142 0.000 1.199 402 A CA 1.153 53.233 52.037 0.072 0.000 0.613 402 A CB -0.749 18.297 19.000 0.077 0.000 0.846 402 A HN 0.617 nan 8.150 nan 0.000 0.446 403 F N 0.876 120.794 119.950 -0.053 0.000 2.481 403 F HA -0.012 4.514 4.527 -0.001 0.000 0.297 403 F C 1.613 177.078 175.800 -0.558 0.000 1.095 403 F CA 0.754 58.652 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 -0.567 121.978 122.820 -0.459 0.000 2.610 404 A HA 0.239 4.559 4.320 -0.001 0.000 0.291 404 A C 1.093 178.519 177.584 -0.263 0.000 1.116 404 A CA -0.375 51.284 52.037 -0.629 0.000 0.963 404 A CB -0.430 18.391 19.000 -0.298 0.000 1.220 404 A HN 0.384 nan 8.150 nan 0.000 0.530 405 Q N 0.457 120.291 119.800 0.057 0.000 2.425 405 Q HA 0.143 4.482 4.340 -0.001 0.000 0.213 405 Q C -1.059 175.245 176.000 0.506 0.000 0.950 405 Q CA 0.294 56.267 55.803 0.283 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 -4.533 115.362 119.950 -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 -2.107 55.832 58.000 -0.101 0.000 1.453 406 F CB -0.406 38.520 39.000 -0.122 0.000 2.117 406 F HN -0.103 nan 8.300 nan 0.000 0.789 407 G N 1.691 110.459 108.800 -0.053 0.000 2.615 407 G HA2 0.118 4.078 3.960 -0.001 0.000 0.273 407 G HA3 0.118 4.078 3.960 -0.001 0.000 0.273 407 G C 0.150 174.969 174.900 -0.135 0.000 0.657 407 G CA 0.063 45.099 45.100 -0.107 0.000 2.071 407 G HN 0.648 nan 8.290 nan 0.000 0.562 408 S N 1.979 117.515 115.700 -0.273 0.000 2.858 408 S HA 0.142 4.611 4.470 -0.001 0.000 0.328 408 S C 0.615 175.136 174.600 -0.132 0.000 1.149 408 S CA 0.427 58.485 58.200 -0.236 0.000 1.421 408 S CB -0.370 62.533 63.200 -0.494 0.000 1.461 408 S HN 0.907 nan 8.310 nan 0.000 0.587 409 D N 0.613 120.973 120.400 -0.067 0.000 2.956 409 D HA -0.240 4.399 4.640 -0.001 0.000 0.206 409 D C -0.622 175.661 176.300 -0.028 0.000 1.269 409 D CA 0.417 54.397 54.000 -0.034 0.000 0.694 409 D CB -1.442 39.349 40.800 -0.016 0.000 0.910 409 D HN 0.509 nan 8.370 nan 0.000 0.389 410 L N 1.238 122.439 121.223 -0.036 0.000 2.319 410 L HA 0.247 4.586 4.340 -0.001 0.000 0.280 410 L C 1.728 178.596 176.870 -0.004 0.000 1.099 410 L CA -0.783 54.047 54.840 -0.018 0.000 0.828 410 L CB 0.479 42.520 42.059 -0.030 0.000 1.150 410 L HN 0.330 nan 8.230 nan 0.000 0.442 411 D N 3.139 123.543 120.400 0.006 0.000 2.058 411 D HA -0.019 4.620 4.640 -0.001 0.000 0.258 411 D C 0.835 177.136 176.300 0.002 0.000 1.192 411 D CA 0.243 54.246 54.000 0.005 0.000 0.967 411 D CB 0.808 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 -0.575 122.245 122.820 -0.000 0.000 1.938 412 A HA 0.367 4.686 4.320 -0.001 0.000 0.207 412 A C 2.255 179.836 177.584 -0.004 0.000 1.292 412 A CA 1.342 53.377 52.037 -0.004 0.000 0.700 412 A CB -1.018 17.978 19.000 -0.008 0.000 0.947 412 A HN 0.626 nan 8.150 nan 0.000 0.476 413 A N 0.135 122.953 122.820 -0.004 0.000 2.042 413 A HA -0.200 4.120 4.320 -0.001 0.000 0.222 413 A C 2.324 179.909 177.584 0.003 0.000 1.167 413 A CA 2.789 54.823 52.037 -0.005 0.000 0.649 413 A CB -1.186 17.811 19.000 -0.005 0.000 0.809 413 A HN 0.854 nan 8.150 nan 0.000 0.457 414 T N -4.052 110.509 114.554 0.012 0.000 3.051 414 T HA 0.045 4.394 4.350 -0.001 0.000 0.255 414 T C 1.816 176.534 174.700 0.030 0.000 1.085 414 T CA 1.066 63.183 62.100 0.029 0.000 1.109 414 T CB -0.081 68.812 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 -0.007 4.332 4.340 -0.001 0.000 0.199 415 Q C 2.567 178.565 176.000 -0.002 0.000 0.957 415 Q CA 0.811 56.620 55.803 0.008 0.000 0.857 415 Q CB -0.009 28.728 28.738 -0.001 0.000 0.929 415 Q HN 0.377 nan 8.270 nan 0.000 0.453 416 Q N 0.101 119.894 119.800 -0.011 0.000 2.123 416 Q HA -0.123 4.216 4.340 -0.001 0.000 0.199 416 Q C 1.982 177.960 176.000 -0.037 0.000 0.966 416 Q CA 0.768 56.553 55.803 -0.031 0.000 0.845 416 Q CB -0.099 28.618 28.738 -0.035 0.000 0.907 416 Q HN 0.341 nan 8.270 nan 0.000 0.439 417 L N 0.442 121.660 121.223 -0.008 0.000 2.083 417 L HA -0.109 4.230 4.340 -0.001 0.000 0.209 417 L C 2.071 178.957 176.870 0.026 0.000 1.083 417 L CA 1.508 56.354 54.840 0.010 0.000 0.752 417 L CB -0.659 41.430 42.059 0.050 0.000 0.899 417 L HN 0.180 nan 8.230 nan 0.000 0.433 418 L N -1.635 119.630 121.223 0.071 0.000 2.240 418 L HA -0.073 4.266 4.340 -0.001 0.000 0.211 418 L C 2.348 179.205 176.870 -0.022 0.000 1.106 418 L CA 0.827 55.747 54.840 0.134 0.000 0.793 418 L CB -0.509 41.645 42.059 0.160 0.000 0.927 418 L HN 0.135 nan 8.230 nan 0.000 0.446 419 S N -0.752 114.917 115.700 -0.051 0.000 2.387 419 S HA -0.056 4.413 4.470 -0.001 0.000 0.226 419 S C 2.118 176.631 174.600 -0.146 0.000 1.026 419 S CA 0.730 58.882 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 1.128 121.522 120.500 -0.177 0.000 2.057 420 R HA 0.064 4.404 4.340 -0.001 0.000 0.229 420 R C 2.605 178.693 176.300 -0.353 0.000 1.136 420 R CA 1.358 57.329 56.100 -0.216 0.000 0.952 420 R CB -1.489 28.701 30.300 -0.184 0.000 0.848 420 R HN 0.464 nan 8.270 nan 0.000 0.430 421 G N 0.745 109.188 108.800 -0.596 0.000 2.599 421 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.219 421 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.219 421 G C 1.551 175.852 174.900 -0.998 0.000 1.193 421 G CA 1.690 45.971 45.100 -1.365 0.000 0.778 421 G HN 0.232 nan 8.290 nan 0.000 0.589 422 V N 1.253 120.814 119.914 -0.588 0.000 2.343 422 V HA -0.185 3.934 4.120 -0.001 0.000 0.247 422 V C 2.994 179.006 176.094 -0.136 0.000 1.051 422 V CA 2.052 64.242 62.300 -0.183 0.000 1.036 422 V CB -0.537 31.263 31.823 -0.038 0.000 0.654 422 V HN 0.280 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 -0.040 4.300 4.340 -0.001 0.000 0.235 423 R C 2.282 178.522 176.300 -0.100 0.000 1.131 423 R CA 1.291 57.326 56.100 -0.109 0.000 0.960 423 R CB -0.970 29.257 30.300 -0.122 0.000 0.856 423 R HN 0.431 nan 8.270 nan 0.000 0.436 424 L N 0.485 121.623 121.223 -0.142 0.000 2.131 424 L HA -0.131 4.208 4.340 -0.001 0.000 0.210 424 L C 2.302 179.134 176.870 -0.064 0.000 1.092 424 L CA 1.297 56.074 54.840 -0.105 0.000 0.759 424 L CB -0.542 41.438 42.059 -0.131 0.000 0.903 424 L HN 0.194 nan 8.230 nan 0.000 0.435 425 T N -1.015 113.498 114.554 -0.068 0.000 2.867 425 T HA -0.136 4.213 4.350 -0.001 0.000 0.268 425 T C 1.750 176.453 174.700 0.005 0.000 1.057 425 T CA 0.988 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 0.956 121.154 120.200 -0.004 0.000 2.107 426 E HA 0.058 4.407 4.350 -0.001 0.000 0.191 426 E C 2.237 178.846 176.600 0.013 0.000 0.982 426 E CA 0.582 56.987 56.400 0.009 0.000 0.809 426 E CB -0.289 29.419 29.700 0.013 0.000 0.756 426 E HN 0.458 nan 8.360 nan 0.000 0.459 427 L N 0.419 121.648 121.223 0.009 0.000 2.156 427 L HA -0.080 4.259 4.340 -0.001 0.000 0.208 427 L C 2.290 179.169 176.870 0.015 0.000 1.095 427 L CA 0.546 55.399 54.840 0.021 0.000 0.770 427 L CB -0.204 41.866 42.059 0.018 0.000 0.914 427 L HN 0.062 nan 8.230 nan 0.000 0.439 428 L N -0.691 120.535 121.223 0.006 0.000 2.552 428 L HA -0.044 4.295 4.340 -0.001 0.000 0.227 428 L C 1.048 177.916 176.870 -0.003 0.000 1.146 428 L CA 0.305 55.148 54.840 0.005 0.000 0.858 428 L CB -0.442 41.622 42.059 0.007 0.000 0.969 428 L HN 0.156 nan 8.230 nan 0.000 0.451 429 K N 0.764 121.161 120.400 -0.005 0.000 2.219 429 K HA 0.277 4.596 4.320 -0.001 0.000 0.258 429 K C -0.141 176.444 176.600 -0.025 0.000 1.008 429 K CA 0.194 56.468 56.287 -0.022 0.000 0.928 429 K CB 0.748 33.236 32.500 -0.020 0.000 0.983 429 K HN 0.012 nan 8.250 nan 0.000 0.484 430 Q N -0.809 118.964 119.800 -0.044 0.000 2.594 430 Q HA 0.274 4.613 4.340 -0.001 0.000 0.278 430 Q C -0.945 175.017 176.000 -0.063 0.000 0.961 430 Q CA -0.550 55.229 55.803 -0.041 0.000 0.844 430 Q CB 1.847 30.563 28.738 -0.037 0.000 1.475 430 Q HN 0.823 nan 8.270 nan 0.000 0.389 431 G N 0.713 109.482 108.800 -0.052 0.000 2.510 431 G HA2 0.399 4.359 3.960 -0.001 0.000 0.280 431 G HA3 0.399 4.359 3.960 -0.001 0.000 0.280 431 G C -0.748 174.092 174.900 -0.100 0.000 1.386 431 G CA -0.158 44.905 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 -0.749 175.113 176.000 -0.231 0.000 0.962 432 Q CA -0.669 54.919 55.803 -0.359 0.000 0.887 432 Q CB 1.533 29.894 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 0.182 176.073 175.900 -0.014 0.000 0.985 433 Y CA 0.789 58.881 58.100 -0.013 0.000 1.976 433 Y CB -1.966 36.485 38.460 -0.015 0.000 1.528 433 Y HN 0.345 nan 8.280 nan 0.000 0.581 434 S N 0.393 116.132 115.700 0.065 0.000 2.143 434 S HA 0.362 4.832 4.470 -0.001 0.000 0.188 434 S C -2.407 172.198 174.600 0.007 0.000 1.431 434 S CA -0.974 57.249 58.200 0.039 0.000 1.253 434 S CB 0.561 63.779 63.200 0.030 0.000 1.137 434 S HN -0.016 nan 8.310 nan 0.000 0.457 435 P HA 0.056 nan 4.420 nan 0.000 0.261 435 P C -0.216 177.077 177.300 -0.012 0.000 1.183 435 P CA 0.492 63.591 63.100 -0.002 0.000 0.761 435 P CB 0.223 31.927 31.700 0.006 0.000 0.785 436 M N 2.092 121.686 119.600 -0.009 0.000 2.291 436 M HA 0.485 4.965 4.480 -0.001 0.000 0.324 436 M C 0.673 176.964 176.300 -0.015 0.000 1.148 436 M CA -0.722 54.568 55.300 -0.016 0.000 1.104 436 M CB 1.091 33.685 32.600 -0.009 0.000 1.483 436 M HN 0.270 nan 8.290 nan 0.000 0.467 437 A N 1.257 124.059 122.820 -0.030 0.000 2.340 437 A HA 0.282 4.602 4.320 -0.001 0.000 0.268 437 A C 0.909 178.495 177.584 0.003 0.000 1.100 437 A CA -0.541 51.481 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 1.134 121.723 120.570 0.033 0.000 2.145 438 I HA -0.297 3.872 4.170 -0.001 0.000 0.244 438 I C 2.598 178.725 176.117 0.016 0.000 1.075 438 I CA 2.618 63.938 61.300 0.034 0.000 1.332 438 I CB -0.220 37.810 38.000 0.051 0.000 1.033 438 I HN 0.865 nan 8.210 nan 0.000 0.410 439 E N 0.159 120.360 120.200 0.002 0.000 2.204 439 E HA -0.282 4.067 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 1.622 58.014 56.400 -0.014 0.000 0.821 439 E CB -0.673 29.008 29.700 -0.032 0.000 0.750 439 E HN 0.654 nan 8.360 nan 0.000 0.477 440 E N 0.889 121.075 120.200 -0.025 0.000 2.072 440 E HA -0.149 4.200 4.350 -0.001 0.000 0.191 440 E C 2.351 178.958 176.600 0.010 0.000 0.985 440 E CA 1.500 57.883 56.400 -0.029 0.000 0.801 440 E CB 0.028 29.703 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 2.413 178.450 176.000 0.061 0.000 0.984 441 Q CA 1.676 57.502 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 1.665 121.612 119.914 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 64.309 62.300 0.079 0.000 1.032 442 V CB -1.292 30.560 31.823 0.049 0.000 0.645 442 V HN 0.437 nan 8.190 nan 0.000 0.447 443 A N 0.509 123.383 122.820 0.091 0.000 1.859 443 A HA -0.212 4.108 4.320 -0.001 0.000 0.217 443 A C 2.492 180.270 177.584 0.324 0.000 1.198 443 A CA 2.804 54.941 52.037 0.167 0.000 0.629 443 A CB -0.981 18.067 19.000 0.081 0.000 0.830 443 A HN 0.738 nan 8.150 nan 0.000 0.446 444 V N -0.840 119.224 119.914 0.251 0.000 2.358 444 V HA -0.168 3.951 4.120 -0.001 0.000 0.246 444 V C 2.127 178.306 176.094 0.141 0.000 1.047 444 V CA 1.934 64.354 62.300 0.201 0.000 1.035 444 V CB -0.781 31.127 31.823 0.142 0.000 0.658 444 V HN 0.448 nan 8.190 nan 0.000 0.452 445 I N -0.127 120.518 120.570 0.124 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 2.369 63.717 61.300 0.080 0.000 1.374 445 I CB -1.780 36.259 38.000 0.064 0.000 1.057 445 I HN 0.512 nan 8.210 nan 0.000 0.413 446 Y N 2.488 122.809 120.300 0.036 0.000 2.030 446 Y HA -0.376 4.173 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 2.484 60.613 58.100 0.047 0.000 1.120 446 Y CB -0.533 37.983 38.460 0.092 0.000 0.955 446 Y HN 0.144 nan 8.280 nan 0.000 0.495 447 A N 0.047 122.990 122.820 0.204 0.000 1.927 447 A HA -0.227 4.092 4.320 -0.001 0.000 0.220 447 A C 2.468 180.008 177.584 -0.074 0.000 1.185 447 A CA 2.284 54.377 52.037 0.092 0.000 0.639 447 A CB -1.785 17.204 19.000 -0.017 0.000 0.820 447 A HN 0.679 nan 8.150 nan 0.000 0.451 448 G N -1.134 107.616 108.800 -0.084 0.000 2.404 448 G HA2 -0.012 3.947 3.960 -0.001 0.000 0.213 448 G HA3 -0.012 3.947 3.960 -0.001 0.000 0.213 448 G C 1.464 176.243 174.900 -0.201 0.000 1.189 448 G CA 0.965 45.986 45.100 -0.132 0.000 0.796 448 G HN 0.322 nan 8.290 nan 0.000 0.532 449 V N 1.015 120.813 119.914 -0.193 0.000 2.568 449 V HA -0.098 4.021 4.120 -0.001 0.000 0.253 449 V C 2.695 178.597 176.094 -0.320 0.000 1.072 449 V CA 1.400 63.574 62.300 -0.210 0.000 1.084 449 V CB -0.376 31.356 31.823 -0.152 0.000 0.676 449 V HN 0.190 nan 8.190 nan 0.000 0.469 450 R N -0.348 119.854 120.500 -0.498 0.000 2.310 450 R HA 0.218 4.558 4.340 -0.001 0.000 0.202 450 R C 1.819 177.633 176.300 -0.810 0.000 0.933 450 R CA 0.706 56.364 56.100 -0.737 0.000 1.054 450 R CB -0.315 29.313 30.300 -1.120 0.000 0.985 450 R HN 0.571 nan 8.270 nan 0.000 0.489 451 G N 0.341 108.813 108.800 -0.547 0.000 2.199 451 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.254 451 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.254 451 G C 0.553 175.233 174.900 -0.368 0.000 0.982 451 G CA 0.383 45.239 45.100 -0.407 0.000 0.632 451 G HN 0.330 nan 8.290 nan 0.000 0.529 452 Y N 0.370 120.569 120.300 -0.168 0.000 2.483 452 Y HA 0.178 4.727 4.550 -0.001 0.000 0.291 452 Y C 2.634 178.417 175.900 -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 -0.698 120.444 121.223 -0.134 0.000 2.640 453 L HA 0.090 4.429 4.340 -0.001 0.000 0.230 453 L C 0.864 177.642 176.870 -0.153 0.000 1.123 453 L CA 0.031 54.749 54.840 -0.204 0.000 0.900 453 L CB -0.079 41.827 42.059 -0.255 0.000 1.146 453 L HN -0.031 nan 8.230 nan 0.000 0.484 454 D N 1.128 121.449 120.400 -0.131 0.000 2.354 454 D HA -0.139 4.500 4.640 -0.001 0.000 0.216 454 D C 1.644 177.895 176.300 -0.081 0.000 0.970 454 D CA 1.200 55.135 54.000 -0.108 0.000 0.905 454 D CB 0.151 40.886 40.800 -0.109 0.000 0.903 454 D HN 0.271 nan 8.370 nan 0.000 0.508 455 K N -0.561 119.793 120.400 -0.076 0.000 2.374 455 K HA 0.132 4.451 4.320 -0.001 0.000 0.202 455 K C 0.292 176.860 176.600 -0.054 0.000 1.040 455 K CA -0.455 55.800 56.287 -0.053 0.000 1.085 455 K CB 0.922 33.400 32.500 -0.037 0.000 0.873 455 K HN 0.009 nan 8.250 nan 0.000 0.539 456 L N 1.493 122.667 121.223 -0.082 0.000 2.456 456 L HA 0.172 4.512 4.340 -0.001 0.000 0.257 456 L C -0.096 176.750 176.870 -0.040 0.000 1.162 456 L CA 0.059 54.858 54.840 -0.070 0.000 0.808 456 L CB 0.879 42.850 42.059 -0.146 0.000 1.136 456 L HN -0.035 nan 8.230 nan 0.000 0.466 457 E N 3.568 123.764 120.200 -0.006 0.000 2.229 457 E HA 0.186 4.535 4.350 -0.001 0.000 0.283 457 E C -1.862 174.746 176.600 0.013 0.000 1.030 457 E CA -1.785 54.618 56.400 0.004 0.000 0.836 457 E CB 1.411 31.120 29.700 0.016 0.000 1.068 457 E HN 0.495 nan 8.360 nan 0.000 0.401 458 P HA -0.306 nan 4.420 nan 0.000 0.219 458 P C 1.215 178.535 177.300 0.034 0.000 1.161 458 P CA 2.058 65.165 63.100 0.011 0.000 0.909 458 P CB 0.071 31.777 31.700 0.011 0.000 0.793 459 S N -1.274 114.449 115.700 0.039 0.000 2.420 459 S HA -0.177 4.292 4.470 -0.001 0.000 0.237 459 S C 1.729 176.378 174.600 0.082 0.000 1.023 459 S CA 1.137 59.369 58.200 0.052 0.000 0.991 459 S CB -0.826 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 1.611 122.070 120.400 0.099 0.000 2.076 460 K HA 0.220 4.540 4.320 -0.001 0.000 0.204 460 K C 2.073 178.804 176.600 0.219 0.000 1.051 460 K CA 0.761 57.157 56.287 0.180 0.000 0.949 460 K CB -0.809 31.808 32.500 0.196 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 2.144 178.372 176.117 0.184 0.000 1.048 461 I CA 1.804 63.190 61.300 0.144 0.000 1.314 461 I CB -1.004 37.033 38.000 0.062 0.000 1.014 461 I HN 0.170 nan 8.210 nan 0.000 0.418 462 T N 0.185 114.820 114.554 0.134 0.000 2.708 462 T HA -0.209 4.141 4.350 -0.001 0.000 0.266 462 T C 1.989 176.768 174.700 0.132 0.000 1.037 462 T CA 1.484 63.649 62.100 0.108 0.000 1.146 462 T CB -0.158 68.755 68.868 0.075 0.000 0.865 462 T HN 0.296 nan 8.240 nan 0.000 0.435 463 K N -0.141 120.370 120.400 0.185 0.000 2.057 463 K HA -0.096 4.223 4.320 -0.001 0.000 0.207 463 K C 2.088 178.834 176.600 0.244 0.000 1.049 463 K CA 1.248 57.676 56.287 0.236 0.000 0.931 463 K CB -0.298 32.389 32.500 0.313 0.000 0.714 463 K HN 0.327 nan 8.250 nan 0.000 0.440 464 F N 2.236 122.219 119.950 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 -0.130 0.000 1.113 464 F CA 2.002 59.775 58.000 -0.379 0.000 1.214 464 F CB -0.441 38.311 39.000 -0.412 0.000 0.978 464 F HN 0.129 nan 8.300 nan 0.000 0.474 465 E N 0.122 120.255 120.200 -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 1.520 57.826 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 0.101 118.766 118.700 -0.059 0.000 2.216 466 N HA -0.096 4.643 4.740 -0.001 0.000 0.183 466 N C 1.754 177.245 175.510 -0.033 0.000 1.017 466 N CA 0.994 54.029 53.050 -0.024 0.000 0.861 466 N CB -0.099 38.405 38.487 0.029 0.000 0.986 466 N HN 0.189 nan 8.380 nan 0.000 0.428 467 A N 1.331 124.144 122.820 -0.012 0.000 1.841 467 A HA -0.127 4.192 4.320 -0.001 0.000 0.214 467 A C 2.063 179.626 177.584 -0.035 0.000 1.195 467 A CA 0.897 53.011 52.037 0.128 0.000 0.611 467 A CB -1.054 18.141 19.000 0.325 0.000 0.835 467 A HN 0.245 nan 8.150 nan 0.000 0.443 468 F N 0.252 119.815 119.950 -0.646 0.000 2.043 468 F HA -0.202 4.324 4.527 -0.001 0.000 0.297 468 F C 1.901 177.324 175.800 -0.629 0.000 1.121 468 F CA 1.924 59.237 58.000 -1.145 0.000 1.199 468 F CB -0.546 37.640 39.000 -1.356 0.000 0.968 468 F HN 0.162 nan 8.300 nan 0.000 0.478 469 L N 0.128 121.092 121.223 -0.432 0.000 2.129 469 L HA -0.220 4.120 4.340 -0.001 0.000 0.212 469 L C 2.548 179.223 176.870 -0.325 0.000 1.087 469 L CA 1.854 56.464 54.840 -0.384 0.000 0.757 469 L CB -1.415 40.544 42.059 -0.166 0.000 0.896 469 L HN 0.195 nan 8.230 nan 0.000 0.434 470 S N -1.765 113.804 115.700 -0.218 0.000 2.348 470 S HA -0.251 4.219 4.470 -0.001 0.000 0.221 470 S C 1.872 176.404 174.600 -0.114 0.000 1.033 470 S CA 1.318 59.452 58.200 -0.109 0.000 1.010 470 S CB -0.426 62.770 63.200 -0.007 0.000 0.891 470 S HN 0.659 nan 8.310 nan 0.000 0.442 471 H N 2.151 121.050 119.070 -0.284 0.000 2.254 471 H HA -0.119 4.437 4.556 -0.001 0.000 0.294 471 H C 2.201 177.367 175.328 -0.271 0.000 1.071 471 H CA 2.485 58.382 56.048 -0.252 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 -0.592 118.902 119.914 -0.700 0.000 2.380 472 V HA -0.222 3.897 4.120 -0.001 0.000 0.251 472 V C 2.566 178.469 176.094 -0.317 0.000 1.063 472 V CA 2.223 64.156 62.300 -0.611 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 1.389 121.796 120.570 -0.272 0.000 2.226 473 I HA -0.205 3.964 4.170 -0.001 0.000 0.245 473 I C 2.933 178.974 176.117 -0.126 0.000 1.100 473 I CA 2.073 63.270 61.300 -0.171 0.000 1.374 473 I CB -0.431 37.483 38.000 -0.144 0.000 1.057 473 I HN 0.590 nan 8.210 nan 0.000 0.413 474 S N 0.060 115.693 115.700 -0.112 0.000 2.317 474 S HA -0.156 4.313 4.470 -0.001 0.000 0.212 474 S C 1.936 176.482 174.600 -0.090 0.000 1.030 474 S CA 0.882 59.039 58.200 -0.073 0.000 0.970 474 S CB -0.304 62.880 63.200 -0.026 0.000 0.928 474 S HN 0.357 nan 8.310 nan 0.000 0.451 475 Q N 0.244 119.984 119.800 -0.100 0.000 1.858 475 Q HA -0.064 4.275 4.340 -0.001 0.000 0.224 475 Q C 1.393 177.220 176.000 -0.289 0.000 0.980 475 Q CA 1.529 57.225 55.803 -0.179 0.000 0.868 475 Q CB -0.615 28.027 28.738 -0.160 0.000 0.920 475 Q HN 0.755 nan 8.270 nan 0.000 0.427 476 H N 1.692 120.584 119.070 -0.297 0.000 3.543 476 H HA -0.039 4.517 4.556 -0.001 0.000 0.270 476 H C 1.086 176.297 175.328 -0.195 0.000 1.056 476 H CA 0.332 56.234 56.048 -0.245 0.000 1.232 476 H CB -0.714 28.857 29.762 -0.319 0.000 1.294 476 H HN 0.345 nan 8.280 nan 0.000 0.729 477 Q N -0.475 119.265 119.800 -0.100 0.000 2.561 477 Q HA -0.022 4.317 4.340 -0.001 0.000 0.217 477 Q C 1.912 177.868 176.000 -0.073 0.000 0.980 477 Q CA 0.766 56.517 55.803 -0.087 0.000 0.927 477 Q CB 0.134 28.821 28.738 -0.084 0.000 0.980 477 Q HN 0.573 nan 8.270 nan 0.000 0.525 478 A N 1.194 123.970 122.820 -0.074 0.000 1.970 478 A HA 0.006 4.326 4.320 -0.001 0.000 0.216 478 A C 1.928 179.484 177.584 -0.046 0.000 1.170 478 A CA 0.398 52.399 52.037 -0.060 0.000 0.645 478 A CB -0.254 18.706 19.000 -0.067 0.000 0.816 478 A HN 0.417 nan 8.150 nan 0.000 0.447 479 L N -0.572 120.627 121.223 -0.039 0.000 2.209 479 L HA 0.037 4.376 4.340 -0.001 0.000 0.207 479 L C 2.227 179.058 176.870 -0.064 0.000 1.094 479 L CA 0.616 55.429 54.840 -0.045 0.000 0.790 479 L CB -0.133 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 -0.559 120.621 121.223 -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 1.364 56.159 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 -0.179 115.490 115.700 -0.052 0.000 2.442 481 S HA -0.205 4.264 4.470 -0.001 0.000 0.236 481 S C 2.184 176.764 174.600 -0.032 0.000 1.007 481 S CA 1.392 59.568 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 0.102 120.481 120.400 -0.034 0.000 2.067 482 K HA 0.193 4.513 4.320 -0.001 0.000 0.203 482 K C 1.857 178.442 176.600 -0.025 0.000 1.048 482 K CA 0.639 56.910 56.287 -0.028 0.000 0.954 482 K CB -0.191 32.292 32.500 -0.029 0.000 0.737 482 K HN 0.473 nan 8.250 nan 0.000 0.444 483 I N 0.877 121.427 120.570 -0.033 0.000 2.179 483 I HA -0.314 3.855 4.170 -0.001 0.000 0.242 483 I C 2.718 178.824 176.117 -0.018 0.000 1.088 483 I CA 1.171 62.453 61.300 -0.030 0.000 1.357 483 I CB -0.208 37.765 38.000 -0.045 0.000 1.051 483 I HN 0.202 nan 8.210 nan 0.000 0.409 484 R N 0.200 120.688 120.500 -0.019 0.000 2.070 484 R HA -0.167 4.172 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 2.223 58.318 56.100 -0.008 0.000 0.945 484 R CB -0.346 29.947 30.300 -0.012 0.000 0.845 484 R HN 0.229 nan 8.270 nan 0.000 0.430 485 T N 0.941 115.490 114.554 -0.007 0.000 2.612 485 T HA -0.106 4.243 4.350 -0.001 0.000 0.259 485 T C 1.171 175.868 174.700 -0.004 0.000 1.065 485 T CA 1.645 63.743 62.100 -0.005 0.000 1.167 485 T CB -0.493 68.370 68.868 -0.009 0.000 0.863 485 T HN 0.317 nan 8.240 nan 0.000 0.407 486 D N 0.374 120.770 120.400 -0.007 0.000 2.203 486 D HA -0.044 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 1.550 55.548 54.000 -0.005 0.000 0.863 486 D CB -0.656 40.141 40.800 -0.006 0.000 0.928 486 D HN 0.601 nan 8.370 nan 0.000 0.458 487 G N -0.362 108.437 108.800 -0.002 0.000 2.184 487 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.264 487 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.264 487 G C 0.539 175.441 174.900 0.002 0.000 0.975 487 G CA 0.764 45.864 45.100 0.001 0.000 0.642 487 G HN 0.508 nan 8.290 nan 0.000 0.536 488 K N -0.473 119.928 120.400 0.001 0.000 2.349 488 K HA 0.788 5.107 4.320 -0.001 0.000 0.243 488 K C -0.760 175.842 176.600 0.002 0.000 1.058 488 K CA -1.173 55.117 56.287 0.006 0.000 0.871 488 K CB 1.170 33.674 32.500 0.006 0.000 1.337 488 K HN 0.081 nan 8.250 nan 0.000 0.469 489 I N 2.771 123.347 120.570 0.010 0.000 2.428 489 I HA 0.099 4.268 4.170 -0.001 0.000 0.279 489 I C 0.331 176.456 176.117 0.013 0.000 1.040 489 I CA -0.507 60.796 61.300 0.005 0.000 1.171 489 I CB 1.470 39.480 38.000 0.018 0.000 1.312 489 I HN 0.593 nan 8.210 nan 0.000 0.470 490 S N 3.547 119.249 115.700 0.003 0.000 2.617 490 S HA 0.129 4.598 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 -0.429 57.776 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 0.329 120.540 120.200 0.019 0.000 2.152 491 E HA -0.043 4.306 4.350 -0.001 0.000 0.192 491 E C 1.871 178.486 176.600 0.024 0.000 0.983 491 E CA 1.128 57.545 56.400 0.028 0.000 0.818 491 E CB -0.179 29.537 29.700 0.027 0.000 0.758 491 E HN 0.833 nan 8.360 nan 0.000 0.467 492 E N 0.164 120.372 120.200 0.013 0.000 2.112 492 E HA -0.058 4.291 4.350 -0.001 0.000 0.190 492 E C 1.730 178.329 176.600 -0.002 0.000 0.979 492 E CA 0.749 57.154 56.400 0.009 0.000 0.814 492 E CB 0.107 29.810 29.700 0.005 0.000 0.762 492 E HN 0.069 nan 8.360 nan 0.000 0.460 493 S N 0.755 116.447 115.700 -0.014 0.000 2.368 493 S HA -0.198 4.271 4.470 -0.001 0.000 0.225 493 S C 1.548 176.107 174.600 -0.069 0.000 1.030 493 S CA 1.563 59.738 58.200 -0.043 0.000 0.999 493 S CB -0.338 62.832 63.200 -0.049 0.000 0.844 493 S HN 0.396 nan 8.310 nan 0.000 0.459 494 D N 0.880 121.261 120.400 -0.032 0.000 2.182 494 D HA -0.046 4.593 4.640 -0.001 0.000 0.201 494 D C 1.764 178.088 176.300 0.040 0.000 0.986 494 D CA 1.169 55.168 54.000 -0.001 0.000 0.847 494 D CB -0.140 40.715 40.800 0.091 0.000 0.942 494 D HN 0.367 nan 8.370 nan 0.000 0.467 495 A N -0.258 122.581 122.820 0.033 0.000 1.935 495 A HA 0.012 4.331 4.320 -0.001 0.000 0.214 495 A C 2.074 179.669 177.584 0.019 0.000 1.178 495 A CA 1.109 53.172 52.037 0.043 0.000 0.640 495 A CB -0.363 18.659 19.000 0.038 0.000 0.825 495 A HN 0.068 nan 8.150 nan 0.000 0.447 496 K N 0.259 120.657 120.400 -0.004 0.000 2.097 496 K HA 0.060 4.379 4.320 -0.001 0.000 0.205 496 K C 1.686 178.265 176.600 -0.036 0.000 1.050 496 K CA 1.188 57.472 56.287 -0.005 0.000 0.938 496 K CB -0.579 31.921 32.500 -0.001 0.000 0.718 496 K HN 0.452 nan 8.250 nan 0.000 0.442 497 L N 0.456 121.625 121.223 -0.091 0.000 2.027 497 L HA -0.151 4.189 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 1.604 56.356 54.840 -0.147 0.000 0.745 497 L CB -0.439 41.323 42.059 -0.494 0.000 0.898 497 L HN 0.257 nan 8.230 nan 0.000 0.433 498 K N 0.173 120.610 120.400 0.062 0.000 2.074 498 K HA -0.282 4.037 4.320 -0.001 0.000 0.209 498 K C 1.985 178.521 176.600 -0.107 0.000 1.048 498 K CA 1.864 58.157 56.287 0.009 0.000 0.926 498 K CB -0.080 32.468 32.500 0.080 0.000 0.713 498 K HN 0.283 nan 8.250 nan 0.000 0.444 499 E N 0.355 120.541 120.200 -0.025 0.000 2.031 499 E HA -0.201 4.149 4.350 -0.001 0.000 0.193 499 E C 2.082 178.701 176.600 0.031 0.000 0.994 499 E CA 1.690 58.090 56.400 -0.000 0.000 0.800 499 E CB -0.118 29.598 29.700 0.027 0.000 0.752 499 E HN 0.353 nan 8.360 nan 0.000 0.447 500 I N 0.633 121.226 120.570 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 1.347 62.702 61.300 0.091 0.000 1.324 500 I CB -0.708 37.245 38.000 -0.079 0.000 1.037 500 I HN 0.134 nan 8.210 nan 0.000 0.401 501 V N 0.671 120.701 119.914 0.192 0.000 2.233 501 V HA -0.320 3.799 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 2.825 65.219 62.300 0.157 0.000 1.010 501 V CB -1.539 30.271 31.823 -0.022 0.000 0.637 501 V HN 0.656 nan 8.190 nan 0.000 0.444 502 T N -0.737 113.756 114.554 -0.102 0.000 2.665 502 T HA -0.252 4.097 4.350 -0.001 0.000 0.268 502 T C 1.872 176.603 174.700 0.051 0.000 1.035 502 T CA 2.065 64.117 62.100 -0.080 0.000 1.151 502 T CB -0.912 67.854 68.868 -0.170 0.000 0.862 502 T HN 0.595 nan 8.240 nan 0.000 0.438 503 N N 0.667 119.423 118.700 0.093 0.000 2.109 503 N HA 0.035 4.775 4.740 -0.001 0.000 0.188 503 N C 1.571 177.194 175.510 0.187 0.000 1.034 503 N CA 1.076 54.198 53.050 0.120 0.000 0.846 503 N CB -0.611 37.946 38.487 0.116 0.000 1.010 503 N HN 0.443 nan 8.380 nan 0.000 0.425 504 F N 2.478 122.498 119.950 0.117 0.000 2.126 504 F HA -0.120 4.406 4.527 -0.001 0.000 0.299 504 F C 2.275 178.214 175.800 0.232 0.000 1.096 504 F CA 0.935 59.022 58.000 0.144 0.000 1.255 504 F CB -0.354 38.769 39.000 0.205 0.000 0.997 504 F HN -0.023 nan 8.300 nan 0.000 0.479 505 L N 0.279 121.778 121.223 0.461 0.000 2.013 505 L HA -0.269 4.070 4.340 -0.001 0.000 0.212 505 L C 2.551 179.533 176.870 0.188 0.000 1.073 505 L CA 2.187 57.219 54.840 0.320 0.000 0.753 505 L CB -1.446 40.680 42.059 0.111 0.000 0.890 505 L HN 0.353 nan 8.230 nan 0.000 0.432 506 A N -0.292 122.593 122.820 0.108 0.000 1.865 506 A HA -0.170 4.149 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 1.818 53.887 52.037 0.053 0.000 0.623 506 A CB -1.377 17.644 19.000 0.036 0.000 0.826 506 A HN 0.523 nan 8.150 nan 0.000 0.444 507 G N -1.617 107.177 108.800 -0.010 0.000 2.442 507 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.219 507 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.219 507 G C 1.457 176.301 174.900 -0.094 0.000 1.141 507 G CA 1.143 46.198 45.100 -0.075 0.000 0.763 507 G HN 0.480 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 0.072 4.598 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 1.264 59.144 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 4.575 4.350 -0.001 0.000 0.198 509 E C 0.573 177.117 176.600 -0.093 0.000 1.115 509 E CA -0.185 56.173 56.400 -0.070 0.000 1.140 509 E CB -0.135 29.578 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 -0.092 0.000 0.836 510 A CB 0.000 18.946 19.000 -0.091 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486