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 1w0k_1_C DATA FIRST_RESID 19 DATA SEQUENCE ADTSVDLEET GRVLSIGDGI ARVHGLRNVQ AEEMVEFSSG LKGMSLNLEP DATA SEQUENCE DNVGVVVFGN DKLIKEGDIV KRTGAIVDVP VGEELLGRVV DALGNAIDGK DATA SEQUENCE GPIGSKARRR VGLKAPGIIP RISVREPMQT GIKAVDSLVP IGRGQRELII DATA SEQUENCE GDRQTGKTSI AIDTIINQKR FNDGTDEKKK LYCIYVAIGQ KRSTVAQLVK DATA SEQUENCE RLTDADAMKY TIVVSATASD AAPLQYLAPY SGCSMGEYFR DNGKHALIIY DATA SEQUENCE DDLSKQAVAY RQMSLLLRRP PGREAYPGDV FYLHSRLLER AAKMNDAFGG DATA SEQUENCE GSLTALPVIE TQAGDVSAYI PTNVISITDG QIFLETELFY KGIRPAINVG DATA SEQUENCE LSVSRVGSAA QTRAMKQVAG TMKLELAQYR EVAAFAQFGS DLDAATQQLL DATA SEQUENCE SRGVRLTELL KQGQYSPMAI EEQVAVIYAG VRGYLDKLEP SKITKFENAF DATA SEQUENCE LSHVISQHQA LLGKIRTDGK ISEESDAKLK EIVTNFLAGF EA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 19 A HA 0.000 nan 4.320 nan 0.000 0.244 19 A C 0.000 177.586 177.584 0.003 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 2.351 122.754 120.400 0.004 0.000 2.339 20 D HA 0.392 5.032 4.640 0.000 0.000 0.256 20 D C 1.254 177.556 176.300 0.004 0.000 1.214 20 D CA 1.084 55.087 54.000 0.004 0.000 0.877 20 D CB 0.960 41.763 40.800 0.005 0.000 1.111 20 D HN 0.649 nan 8.370 nan 0.000 0.478 21 T N -0.851 113.706 114.554 0.003 0.000 3.132 21 T HA 0.025 4.375 4.350 0.000 0.000 0.274 21 T C 1.506 176.207 174.700 0.002 0.000 1.011 21 T CA 0.092 62.194 62.100 0.003 0.000 0.899 21 T CB -0.164 68.705 68.868 0.002 0.000 1.089 21 T HN 0.208 nan 8.240 nan 0.000 0.543 22 S N 0.836 116.537 115.700 0.003 0.000 2.474 22 S HA 0.049 4.519 4.470 0.000 0.000 0.235 22 S C 0.928 175.528 174.600 0.001 0.000 0.997 22 S CA 0.113 58.314 58.200 0.002 0.000 0.949 22 S CB -0.417 62.785 63.200 0.003 0.000 0.766 22 S HN 0.361 nan 8.310 nan 0.000 0.517 23 V N 3.651 123.567 119.914 0.003 0.000 2.666 23 V HA 0.221 4.341 4.120 0.000 0.000 0.306 23 V C -0.192 175.906 176.094 0.007 0.000 1.156 23 V CA -0.811 61.492 62.300 0.004 0.000 1.274 23 V CB -0.063 31.765 31.823 0.008 0.000 1.536 23 V HN 0.583 nan 8.190 nan 0.000 0.640 24 D N 0.780 121.182 120.400 0.003 0.000 2.350 24 D HA 0.093 4.733 4.640 0.000 0.000 0.249 24 D C 0.946 177.246 176.300 0.001 0.000 1.119 24 D CA -0.415 53.587 54.000 0.004 0.000 0.886 24 D CB 2.265 43.066 40.800 0.001 0.000 1.195 24 D HN 0.266 nan 8.370 nan 0.000 0.437 25 L N 1.361 122.587 121.223 0.005 0.000 2.633 25 L HA -0.094 4.246 4.340 0.000 0.000 0.235 25 L C 2.158 179.012 176.870 -0.027 0.000 1.163 25 L CA 0.522 55.359 54.840 -0.004 0.000 0.859 25 L CB -0.356 41.709 42.059 0.010 0.000 0.973 25 L HN 0.503 nan 8.230 nan 0.000 0.451 26 E N -0.007 120.181 120.200 -0.021 0.000 2.076 26 E HA -0.137 4.213 4.350 0.000 0.000 0.190 26 E C 1.524 178.107 176.600 -0.029 0.000 0.979 26 E CA 0.805 57.189 56.400 -0.026 0.000 0.807 26 E CB 0.219 29.909 29.700 -0.018 0.000 0.761 26 E HN 0.428 nan 8.360 nan 0.000 0.454 27 E N 0.177 120.363 120.200 -0.024 0.000 2.460 27 E HA 0.038 4.388 4.350 0.000 0.000 0.200 27 E C 0.720 177.300 176.600 -0.034 0.000 1.011 27 E CA 0.476 56.860 56.400 -0.026 0.000 0.912 27 E CB 1.021 30.710 29.700 -0.018 0.000 0.953 27 E HN 0.239 nan 8.360 nan 0.000 0.494 28 T N -2.402 112.133 114.554 -0.033 0.000 2.831 28 T HA 0.789 5.140 4.350 0.000 0.000 0.287 28 T C 0.269 174.947 174.700 -0.036 0.000 1.070 28 T CA -0.627 61.449 62.100 -0.040 0.000 1.010 28 T CB 2.396 71.248 68.868 -0.026 0.000 1.264 28 T HN 0.017 nan 8.240 nan 0.000 0.532 29 G N -0.352 108.426 108.800 -0.036 0.000 2.645 29 G HA2 0.655 4.615 3.960 0.000 0.000 0.292 29 G HA3 0.655 4.615 3.960 0.000 0.000 0.292 29 G C -1.912 173.000 174.900 0.020 0.000 1.415 29 G CA -1.129 43.969 45.100 -0.003 0.000 0.785 29 G HN 0.720 nan 8.290 nan 0.000 0.483 30 R N -1.003 119.544 120.500 0.078 0.000 2.670 30 R HA 0.603 4.943 4.340 0.000 0.000 0.289 30 R C -0.477 175.879 176.300 0.093 0.000 0.965 30 R CA -0.668 55.476 56.100 0.074 0.000 0.899 30 R CB 2.332 32.671 30.300 0.066 0.000 1.173 30 R HN 0.330 nan 8.270 nan 0.000 0.456 31 V N 5.268 125.241 119.914 0.098 0.000 2.421 31 V HA 0.003 4.123 4.120 0.000 0.000 0.271 31 V C 1.329 177.472 176.094 0.082 0.000 1.031 31 V CA 0.341 62.713 62.300 0.121 0.000 1.032 31 V CB 0.383 32.309 31.823 0.171 0.000 1.009 31 V HN 0.695 nan 8.190 nan 0.000 0.477 32 L N 4.118 125.389 121.223 0.080 0.000 2.109 32 L HA 0.040 4.380 4.340 0.000 0.000 0.207 32 L C 0.867 177.760 176.870 0.037 0.000 1.086 32 L CA 1.111 55.981 54.840 0.050 0.000 0.760 32 L CB -0.022 42.073 42.059 0.061 0.000 0.910 32 L HN 0.851 nan 8.230 nan 0.000 0.437 33 S N -1.312 114.415 115.700 0.045 0.000 2.560 33 S HA 0.564 5.034 4.470 0.000 0.000 0.283 33 S C -1.037 173.580 174.600 0.028 0.000 1.141 33 S CA -0.913 57.304 58.200 0.028 0.000 0.902 33 S CB 2.048 65.258 63.200 0.018 0.000 1.104 33 S HN 0.027 nan 8.310 nan 0.000 0.454 34 I N 0.929 121.505 120.570 0.009 0.000 2.828 34 I HA 0.956 5.126 4.170 0.000 0.000 0.302 34 I C -0.344 175.757 176.117 -0.025 0.000 1.101 34 I CA 0.206 61.498 61.300 -0.012 0.000 1.031 34 I CB 1.994 39.974 38.000 -0.033 0.000 1.231 34 I HN 1.392 nan 8.210 nan 0.000 0.427 35 G N 4.062 112.839 108.800 -0.037 0.000 2.433 35 G HA2 0.330 4.290 3.960 0.000 0.000 0.306 35 G HA3 0.330 4.290 3.960 0.000 0.000 0.306 35 G C -1.446 173.428 174.900 -0.044 0.000 1.627 35 G CA -0.544 44.534 45.100 -0.037 0.000 0.893 35 G HN 0.767 nan 8.290 nan 0.000 0.648 36 D N 0.221 120.594 120.400 -0.045 0.000 2.697 36 D HA -0.176 4.464 4.640 0.000 0.000 0.238 36 D C 1.645 177.911 176.300 -0.057 0.000 1.152 36 D CA 2.631 56.604 54.000 -0.045 0.000 0.666 36 D CB -1.036 39.740 40.800 -0.040 0.000 1.037 36 D HN 2.259 nan 8.370 nan 0.000 0.423 37 G N -0.536 108.221 108.800 -0.072 0.000 2.186 37 G HA2 -0.319 3.641 3.960 0.000 0.000 0.266 37 G HA3 -0.319 3.641 3.960 0.000 0.000 0.266 37 G C 0.331 175.174 174.900 -0.095 0.000 0.982 37 G CA 0.507 45.552 45.100 -0.092 0.000 0.670 37 G HN 0.528 nan 8.290 nan 0.000 0.533 38 I N 0.996 121.523 120.570 -0.072 0.000 2.354 38 I HA 0.647 4.817 4.170 0.000 0.000 0.286 38 I C 0.526 176.631 176.117 -0.020 0.000 1.007 38 I CA -1.149 60.121 61.300 -0.050 0.000 1.167 38 I CB 0.876 38.849 38.000 -0.045 0.000 1.320 38 I HN 0.274 nan 8.210 nan 0.000 0.458 39 A N 7.803 130.637 122.820 0.024 0.000 2.276 39 A HA 0.634 4.954 4.320 0.000 0.000 0.316 39 A C 0.119 177.762 177.584 0.098 0.000 1.229 39 A CA -0.715 51.380 52.037 0.097 0.000 0.851 39 A CB 0.715 19.877 19.000 0.269 0.000 1.165 39 A HN 0.563 nan 8.150 nan 0.000 0.513 40 R N 2.839 123.385 120.500 0.077 0.000 2.369 40 R HA 0.309 4.649 4.340 0.000 0.000 0.310 40 R C -0.991 175.355 176.300 0.078 0.000 1.141 40 R CA -0.216 55.920 56.100 0.060 0.000 1.116 40 R CB 0.780 31.105 30.300 0.041 0.000 1.135 40 R HN 0.489 nan 8.270 nan 0.000 0.529 41 V N 3.493 123.448 119.914 0.069 0.000 2.432 41 V HA 0.076 4.196 4.120 0.000 0.000 0.275 41 V C 0.578 176.709 176.094 0.062 0.000 1.043 41 V CA -0.679 61.660 62.300 0.064 0.000 0.925 41 V CB 0.883 32.710 31.823 0.006 0.000 0.985 41 V HN 0.612 nan 8.190 nan 0.000 0.466 42 H N 3.525 122.596 119.070 0.002 0.000 2.607 42 H HA 0.556 5.112 4.556 0.000 0.000 0.367 42 H C 0.844 176.165 175.328 -0.012 0.000 1.181 42 H CA 1.421 57.468 56.048 -0.003 0.000 1.402 42 H CB 0.968 30.731 29.762 0.001 0.000 1.474 42 H HN 1.009 nan 8.280 nan 0.000 0.596 43 G N 2.153 110.561 108.800 -0.654 0.000 2.531 43 G HA2 -0.297 3.663 3.960 0.000 0.000 0.274 43 G HA3 -0.297 3.663 3.960 0.000 0.000 0.274 43 G C 0.084 174.876 174.900 -0.180 0.000 1.159 43 G CA -0.162 44.733 45.100 -0.342 0.000 0.969 43 G HN 1.248 nan 8.290 nan 0.000 0.554 44 L N -0.354 120.807 121.223 -0.103 0.000 3.739 44 L HA -0.221 4.119 4.340 0.000 0.000 0.442 44 L C 2.236 179.061 176.870 -0.074 0.000 1.241 44 L CA 0.755 55.548 54.840 -0.078 0.000 0.819 44 L CB -0.662 41.351 42.059 -0.077 0.000 1.679 44 L HN 0.652 nan 8.230 nan 0.000 0.889 45 R N 0.050 120.506 120.500 -0.075 0.000 2.159 45 R HA -0.119 4.221 4.340 0.000 0.000 0.237 45 R C 1.227 177.502 176.300 -0.042 0.000 1.131 45 R CA 1.930 57.993 56.100 -0.062 0.000 0.982 45 R CB -0.507 29.760 30.300 -0.055 0.000 0.868 45 R HN 0.664 nan 8.270 nan 0.000 0.453 46 N N 0.185 118.863 118.700 -0.036 0.000 2.235 46 N HA 0.044 4.784 4.740 0.000 0.000 0.209 46 N C -0.332 175.165 175.510 -0.023 0.000 1.122 46 N CA -0.299 52.736 53.050 -0.026 0.000 0.845 46 N CB 0.789 39.263 38.487 -0.021 0.000 1.004 46 N HN -0.075 nan 8.380 nan 0.000 0.499 47 V N -0.170 119.727 119.914 -0.028 0.000 2.963 47 V HA 0.076 4.196 4.120 0.000 0.000 0.306 47 V C 0.352 176.439 176.094 -0.012 0.000 1.077 47 V CA -0.494 61.794 62.300 -0.021 0.000 1.124 47 V CB 0.689 32.496 31.823 -0.027 0.000 0.987 47 V HN 0.137 nan 8.190 nan 0.000 0.487 48 Q N 1.562 121.360 119.800 -0.003 0.000 2.227 48 Q HA 0.661 5.001 4.340 0.000 0.000 0.245 48 Q C 0.159 176.165 176.000 0.009 0.000 0.926 48 Q CA -0.466 55.339 55.803 0.004 0.000 0.895 48 Q CB 1.572 30.315 28.738 0.009 0.000 1.230 48 Q HN 1.082 nan 8.270 nan 0.000 0.450 49 A N 1.841 124.669 122.820 0.013 0.000 2.488 49 A HA 0.088 4.408 4.320 0.000 0.000 0.249 49 A C 0.039 177.640 177.584 0.029 0.000 1.083 49 A CA 0.210 52.258 52.037 0.020 0.000 0.768 49 A CB -0.192 18.821 19.000 0.022 0.000 1.017 49 A HN 0.969 nan 8.150 nan 0.000 0.496 50 E N -0.606 119.616 120.200 0.038 0.000 3.413 50 E HA -0.194 4.156 4.350 0.000 0.000 0.300 50 E C 0.101 176.738 176.600 0.062 0.000 0.891 50 E CA 1.202 57.635 56.400 0.055 0.000 1.050 50 E CB -1.348 28.381 29.700 0.048 0.000 1.534 50 E HN 0.916 nan 8.360 nan 0.000 0.436 51 E N 0.750 120.978 120.200 0.048 0.000 2.283 51 E HA 0.345 4.696 4.350 0.000 0.000 0.278 51 E C -0.111 176.529 176.600 0.067 0.000 1.027 51 E CA -0.417 56.011 56.400 0.047 0.000 0.843 51 E CB 0.848 30.561 29.700 0.023 0.000 1.062 51 E HN 0.127 nan 8.360 nan 0.000 0.401 52 M N 5.103 124.753 119.600 0.082 0.000 2.200 52 M HA 0.149 4.629 4.480 0.000 0.000 0.355 52 M C -0.715 175.620 176.300 0.058 0.000 1.283 52 M CA -0.374 54.994 55.300 0.113 0.000 1.124 52 M CB 0.650 33.324 32.600 0.122 0.000 1.625 52 M HN 0.441 nan 8.290 nan 0.000 0.463 53 V N 1.791 121.734 119.914 0.048 0.000 3.103 53 V HA 0.696 4.817 4.120 0.000 0.000 0.318 53 V C -0.916 175.160 176.094 -0.030 0.000 1.114 53 V CA -0.815 61.459 62.300 -0.045 0.000 1.020 53 V CB 2.016 33.745 31.823 -0.156 0.000 1.085 53 V HN 0.868 nan 8.190 nan 0.000 0.446 54 E N 1.012 121.149 120.200 -0.106 0.000 2.234 54 E HA 0.544 4.894 4.350 0.000 0.000 0.266 54 E C -1.678 174.847 176.600 -0.126 0.000 0.877 54 E CA -0.395 55.991 56.400 -0.022 0.000 0.758 54 E CB 2.344 32.055 29.700 0.018 0.000 1.170 54 E HN 0.628 nan 8.360 nan 0.000 0.415 55 F N 0.528 120.501 119.950 0.038 0.000 2.370 55 F HA 0.083 4.610 4.527 0.000 0.000 0.319 55 F C 1.828 177.643 175.800 0.026 0.000 1.129 55 F CA -0.151 57.867 58.000 0.029 0.000 1.109 55 F CB 1.143 40.160 39.000 0.027 0.000 1.262 55 F HN 0.434 nan 8.300 nan 0.000 0.534 56 S N -0.294 115.544 115.700 0.229 0.000 2.441 56 S HA -0.197 4.273 4.470 0.000 0.000 0.242 56 S C 1.308 175.972 174.600 0.107 0.000 1.018 56 S CA 1.565 59.842 58.200 0.128 0.000 0.988 56 S CB -0.562 62.706 63.200 0.113 0.000 0.778 56 S HN 0.632 nan 8.310 nan 0.000 0.498 57 S N -0.746 115.031 115.700 0.129 0.000 2.664 57 S HA 0.588 5.058 4.470 0.000 0.000 0.245 57 S C 1.137 175.788 174.600 0.085 0.000 1.019 57 S CA 0.190 58.441 58.200 0.086 0.000 0.996 57 S CB 0.520 63.758 63.200 0.063 0.000 0.878 57 S HN 0.718 nan 8.310 nan 0.000 0.493 58 G N 1.188 110.051 108.800 0.105 0.000 2.217 58 G HA2 -0.226 3.734 3.960 0.000 0.000 0.246 58 G HA3 -0.226 3.734 3.960 0.000 0.000 0.246 58 G C -0.015 174.957 174.900 0.120 0.000 0.990 58 G CA -0.048 45.108 45.100 0.093 0.000 0.627 58 G HN 0.526 nan 8.290 nan 0.000 0.522 59 L N 0.677 121.993 121.223 0.155 0.000 2.456 59 L HA 0.406 4.746 4.340 0.000 0.000 0.272 59 L C 0.920 177.962 176.870 0.287 0.000 1.189 59 L CA 0.254 55.204 54.840 0.184 0.000 0.846 59 L CB 0.703 42.834 42.059 0.120 0.000 1.111 59 L HN 0.161 nan 8.230 nan 0.000 0.475 60 K N 0.885 121.453 120.400 0.280 0.000 2.211 60 K HA 0.832 5.152 4.320 0.000 0.000 0.237 60 K C -0.247 176.622 176.600 0.449 0.000 1.002 60 K CA -0.527 55.962 56.287 0.336 0.000 0.885 60 K CB 1.945 34.601 32.500 0.260 0.000 1.136 60 K HN 0.697 nan 8.250 nan 0.000 0.448 61 G N 0.552 109.609 108.800 0.428 0.000 2.616 61 G HA2 0.404 4.364 3.960 0.000 0.000 0.294 61 G HA3 0.404 4.364 3.960 0.000 0.000 0.294 61 G C -1.518 173.496 174.900 0.191 0.000 1.489 61 G CA -0.938 44.313 45.100 0.252 0.000 0.836 61 G HN 0.532 nan 8.290 nan 0.000 0.527 62 M N 0.084 119.697 119.600 0.021 0.000 2.508 62 M HA 0.771 5.251 4.480 0.000 0.000 0.327 62 M C -0.610 175.701 176.300 0.019 0.000 1.160 62 M CA -0.645 54.715 55.300 0.100 0.000 0.980 62 M CB 2.186 34.926 32.600 0.234 0.000 1.693 62 M HN 0.284 nan 8.290 nan 0.000 0.452 63 S N 3.154 118.873 115.700 0.033 0.000 2.430 63 S HA 0.327 4.797 4.470 0.000 0.000 0.282 63 S C 0.669 175.277 174.600 0.014 0.000 1.186 63 S CA -0.603 57.603 58.200 0.011 0.000 1.060 63 S CB 0.350 63.554 63.200 0.007 0.000 0.966 63 S HN 0.714 nan 8.310 nan 0.000 0.501 64 L N 2.702 123.923 121.223 -0.002 0.000 2.433 64 L HA 0.248 4.588 4.340 0.000 0.000 0.200 64 L C 0.114 176.988 176.870 0.007 0.000 1.059 64 L CA 0.379 55.221 54.840 0.003 0.000 0.835 64 L CB 0.021 42.068 42.059 -0.021 0.000 1.076 64 L HN 0.386 nan 8.230 nan 0.000 0.481 65 N N 1.129 119.828 118.700 -0.002 0.000 2.527 65 N HA 0.320 5.060 4.740 0.000 0.000 0.236 65 N C -0.922 174.586 175.510 -0.002 0.000 0.999 65 N CA 0.012 53.062 53.050 -0.000 0.000 0.935 65 N CB 0.836 39.320 38.487 -0.005 0.000 1.132 65 N HN 0.062 nan 8.380 nan 0.000 0.511 66 L N 1.984 123.206 121.223 -0.000 0.000 2.358 66 L HA 0.295 4.635 4.340 0.000 0.000 0.274 66 L C 0.563 177.428 176.870 -0.007 0.000 1.136 66 L CA -0.247 54.589 54.840 -0.007 0.000 0.970 66 L CB -0.132 41.923 42.059 -0.006 0.000 1.314 66 L HN 0.338 nan 8.230 nan 0.000 0.427 67 E N 2.732 122.927 120.200 -0.009 0.000 2.314 67 E HA 0.178 4.528 4.350 0.000 0.000 0.262 67 E C -1.399 175.193 176.600 -0.014 0.000 1.093 67 E CA -1.660 54.735 56.400 -0.007 0.000 0.908 67 E CB 0.880 30.578 29.700 -0.003 0.000 1.091 67 E HN 0.237 nan 8.360 nan 0.000 0.425 68 P HA -0.177 nan 4.420 nan 0.000 0.217 68 P C 0.147 177.434 177.300 -0.022 0.000 1.148 68 P CA 1.429 64.520 63.100 -0.014 0.000 0.828 68 P CB 0.163 31.859 31.700 -0.006 0.000 0.783 69 D N -2.203 118.189 120.400 -0.014 0.000 2.620 69 D HA 0.083 4.723 4.640 0.000 0.000 0.260 69 D C -0.367 175.931 176.300 -0.003 0.000 1.367 69 D CA -0.379 53.614 54.000 -0.012 0.000 0.805 69 D CB -0.848 39.968 40.800 0.027 0.000 1.096 69 D HN 0.304 nan 8.370 nan 0.000 0.488 70 N N -1.675 117.014 118.700 -0.017 0.000 3.043 70 N HA 0.350 5.090 4.740 0.000 0.000 0.243 70 N C -1.990 173.511 175.510 -0.015 0.000 1.347 70 N CA -0.905 52.142 53.050 -0.005 0.000 0.896 70 N CB 1.544 40.047 38.487 0.027 0.000 1.501 70 N HN -0.190 nan 8.380 nan 0.000 0.504 71 V N 0.313 120.220 119.914 -0.011 0.000 2.417 71 V HA 0.721 4.841 4.120 0.000 0.000 0.291 71 V C 0.796 176.893 176.094 0.005 0.000 1.024 71 V CA -0.626 61.667 62.300 -0.011 0.000 0.861 71 V CB 1.280 33.088 31.823 -0.025 0.000 0.985 71 V HN 0.900 nan 8.190 nan 0.000 0.436 72 G N 4.184 112.984 108.800 0.001 0.000 2.508 72 G HA2 0.418 4.378 3.960 0.000 0.000 0.301 72 G HA3 0.418 4.378 3.960 0.000 0.000 0.301 72 G C -0.379 174.521 174.900 0.000 0.000 0.965 72 G CA -0.071 45.030 45.100 0.001 0.000 1.339 72 G HN 0.511 nan 8.290 nan 0.000 0.455 73 V N 3.372 123.303 119.914 0.027 0.000 2.439 73 V HA 0.243 4.363 4.120 0.000 0.000 0.282 73 V C 0.167 176.269 176.094 0.015 0.000 1.039 73 V CA -0.606 61.720 62.300 0.044 0.000 0.913 73 V CB 1.749 33.647 31.823 0.125 0.000 0.983 73 V HN 0.368 nan 8.190 nan 0.000 0.460 74 V N 6.271 126.141 119.914 -0.074 0.000 2.370 74 V HA 0.331 4.451 4.120 0.000 0.000 0.279 74 V C 0.000 175.918 176.094 -0.293 0.000 1.029 74 V CA -0.402 61.787 62.300 -0.185 0.000 0.870 74 V CB 1.996 33.667 31.823 -0.253 0.000 0.984 74 V HN 0.639 nan 8.190 nan 0.000 0.451 75 V N 6.522 126.302 119.914 -0.224 0.000 2.461 75 V HA 0.258 4.378 4.120 0.000 0.000 0.275 75 V C 0.339 176.314 176.094 -0.198 0.000 1.047 75 V CA 0.011 62.201 62.300 -0.184 0.000 0.955 75 V CB 0.984 32.683 31.823 -0.207 0.000 0.988 75 V HN 0.779 nan 8.190 nan 0.000 0.471 76 F N 3.971 123.962 119.950 0.069 0.000 2.913 76 F HA 0.544 5.071 4.527 0.000 0.000 0.293 76 F C 1.171 176.998 175.800 0.045 0.000 1.223 76 F CA 0.373 58.416 58.000 0.072 0.000 1.393 76 F CB 0.311 39.367 39.000 0.094 0.000 1.102 76 F HN 0.733 nan 8.300 nan 0.000 0.524 77 G N -0.367 108.517 108.800 0.140 0.000 2.321 77 G HA2 -0.026 3.934 3.960 0.000 0.000 0.296 77 G HA3 -0.026 3.934 3.960 0.000 0.000 0.296 77 G C -1.607 173.300 174.900 0.011 0.000 1.287 77 G CA -1.097 44.052 45.100 0.083 0.000 0.846 77 G HN -0.068 nan 8.290 nan 0.000 0.508 78 N N 0.736 119.438 118.700 0.003 0.000 2.440 78 N HA 0.075 4.815 4.740 0.000 0.000 0.265 78 N C 0.877 176.347 175.510 -0.067 0.000 1.239 78 N CA 0.791 53.828 53.050 -0.023 0.000 0.909 78 N CB 1.254 39.734 38.487 -0.011 0.000 1.066 78 N HN 0.568 nan 8.380 nan 0.000 0.474 79 D N 2.268 122.618 120.400 -0.084 0.000 2.349 79 D HA -0.103 4.537 4.640 0.000 0.000 0.215 79 D C 1.432 177.666 176.300 -0.109 0.000 1.016 79 D CA 0.566 54.485 54.000 -0.135 0.000 0.870 79 D CB -0.023 40.693 40.800 -0.140 0.000 0.917 79 D HN 0.689 nan 8.370 nan 0.000 0.524 80 K N 1.132 121.492 120.400 -0.068 0.000 2.211 80 K HA -0.142 4.178 4.320 0.000 0.000 0.204 80 K C 1.521 178.091 176.600 -0.049 0.000 1.047 80 K CA 1.129 57.387 56.287 -0.049 0.000 0.935 80 K CB -0.467 32.015 32.500 -0.030 0.000 0.728 80 K HN 0.244 nan 8.250 nan 0.000 0.452 81 L N 0.778 121.965 121.223 -0.061 0.000 2.478 81 L HA 0.185 4.525 4.340 0.000 0.000 0.223 81 L C 0.789 177.625 176.870 -0.057 0.000 1.140 81 L CA 0.046 54.859 54.840 -0.046 0.000 0.842 81 L CB -0.214 41.825 42.059 -0.034 0.000 0.953 81 L HN 0.136 nan 8.230 nan 0.000 0.452 82 I N 0.513 121.018 120.570 -0.108 0.000 2.437 82 I HA 0.270 4.441 4.170 0.000 0.000 0.298 82 I C -0.039 176.049 176.117 -0.048 0.000 0.984 82 I CA -0.299 60.935 61.300 -0.109 0.000 1.214 82 I CB 1.463 39.275 38.000 -0.313 0.000 1.365 82 I HN 0.057 nan 8.210 nan 0.000 0.469 83 K N 3.740 124.142 120.400 0.003 0.000 2.495 83 K HA 0.458 4.778 4.320 0.000 0.000 0.268 83 K C -0.974 175.649 176.600 0.039 0.000 1.008 83 K CA -0.963 55.331 56.287 0.012 0.000 0.882 83 K CB 1.424 33.929 32.500 0.009 0.000 1.443 83 K HN 0.402 nan 8.250 nan 0.000 0.447 84 E N -0.151 120.066 120.200 0.029 0.000 2.452 84 E HA 0.034 4.384 4.350 0.000 0.000 0.261 84 E C 0.539 177.161 176.600 0.036 0.000 0.987 84 E CA 1.897 58.317 56.400 0.033 0.000 0.926 84 E CB 0.091 29.802 29.700 0.017 0.000 0.934 84 E HN 0.835 nan 8.360 nan 0.000 0.452 85 G N 4.112 112.938 108.800 0.043 0.000 2.241 85 G HA2 -0.259 3.701 3.960 0.000 0.000 0.244 85 G HA3 -0.259 3.701 3.960 0.000 0.000 0.244 85 G C -0.013 174.919 174.900 0.052 0.000 0.998 85 G CA 0.168 45.289 45.100 0.036 0.000 0.621 85 G HN 0.658 nan 8.290 nan 0.000 0.519 86 D N 0.661 121.108 120.400 0.078 0.000 2.525 86 D HA 0.350 4.990 4.640 0.000 0.000 0.235 86 D C 0.886 177.239 176.300 0.089 0.000 1.137 86 D CA 0.120 54.181 54.000 0.102 0.000 0.868 86 D CB 0.487 41.386 40.800 0.166 0.000 1.180 86 D HN 0.275 nan 8.370 nan 0.000 0.465 87 I N 2.160 122.766 120.570 0.061 0.000 2.529 87 I HA 0.072 4.242 4.170 0.000 0.000 0.284 87 I C -0.143 175.957 176.117 -0.029 0.000 1.082 87 I CA 0.120 61.431 61.300 0.019 0.000 1.406 87 I CB 0.951 38.959 38.000 0.015 0.000 1.405 87 I HN 0.040 nan 8.210 nan 0.000 0.548 88 V N 6.748 126.598 119.914 -0.106 0.000 2.531 88 V HA 0.431 4.551 4.120 0.000 0.000 0.301 88 V C -0.261 175.727 176.094 -0.177 0.000 1.034 88 V CA -0.986 61.153 62.300 -0.267 0.000 0.865 88 V CB 1.660 33.224 31.823 -0.433 0.000 0.995 88 V HN 0.557 nan 8.190 nan 0.000 0.424 89 K N 3.581 123.884 120.400 -0.162 0.000 2.244 89 K HA 0.578 4.898 4.320 0.000 0.000 0.260 89 K C -0.058 176.490 176.600 -0.086 0.000 0.951 89 K CA -0.731 55.501 56.287 -0.092 0.000 0.826 89 K CB 1.849 34.318 32.500 -0.051 0.000 1.108 89 K HN 0.557 nan 8.250 nan 0.000 0.433 90 R N 0.726 121.189 120.500 -0.061 0.000 2.734 90 R HA 0.004 4.344 4.340 0.000 0.000 0.266 90 R C 0.532 176.817 176.300 -0.024 0.000 1.044 90 R CA 0.392 56.466 56.100 -0.042 0.000 1.128 90 R CB 0.532 30.813 30.300 -0.032 0.000 1.010 90 R HN 0.668 nan 8.270 nan 0.000 0.461 91 T N 0.055 114.602 114.554 -0.011 0.000 3.023 91 T HA 0.124 4.474 4.350 0.000 0.000 0.249 91 T C 1.182 175.884 174.700 0.002 0.000 1.050 91 T CA 0.722 62.823 62.100 0.001 0.000 1.088 91 T CB 0.382 69.260 68.868 0.016 0.000 0.946 91 T HN 0.919 nan 8.240 nan 0.000 0.480 92 G N 1.391 110.192 108.800 0.001 0.000 2.217 92 G HA2 -0.062 3.898 3.960 0.000 0.000 0.246 92 G HA3 -0.062 3.898 3.960 0.000 0.000 0.246 92 G C 0.165 175.070 174.900 0.007 0.000 0.990 92 G CA -0.014 45.087 45.100 0.002 0.000 0.627 92 G HN 0.935 nan 8.290 nan 0.000 0.522 93 A N 0.844 123.672 122.820 0.013 0.000 2.356 93 A HA 0.756 5.076 4.320 0.000 0.000 0.310 93 A C 0.339 177.938 177.584 0.026 0.000 1.075 93 A CA -0.715 51.332 52.037 0.017 0.000 0.746 93 A CB 1.014 20.022 19.000 0.014 0.000 1.221 93 A HN 0.608 nan 8.150 nan 0.000 0.443 94 I N 2.206 122.791 120.570 0.026 0.000 2.815 94 I HA -0.019 4.151 4.170 0.000 0.000 0.291 94 I C 0.718 176.858 176.117 0.037 0.000 1.209 94 I CA 0.212 61.532 61.300 0.034 0.000 1.431 94 I CB 0.316 38.331 38.000 0.026 0.000 1.351 94 I HN 0.370 nan 8.210 nan 0.000 0.585 95 V N 6.336 126.284 119.914 0.056 0.000 2.625 95 V HA -0.094 4.026 4.120 0.000 0.000 0.305 95 V C 0.199 176.303 176.094 0.017 0.000 1.055 95 V CA 0.422 62.753 62.300 0.052 0.000 1.209 95 V CB -0.383 31.498 31.823 0.097 0.000 0.877 95 V HN 0.937 nan 8.190 nan 0.000 0.489 96 D N 3.700 124.100 120.400 -0.001 0.000 2.579 96 D HA 0.711 5.351 4.640 0.000 0.000 0.257 96 D C -0.660 175.623 176.300 -0.028 0.000 1.176 96 D CA -0.668 53.326 54.000 -0.009 0.000 0.914 96 D CB 2.108 42.907 40.800 -0.002 0.000 1.431 96 D HN 0.469 nan 8.370 nan 0.000 0.454 97 V N -4.504 115.394 119.914 -0.026 0.000 2.962 97 V HA 0.747 4.867 4.120 0.000 0.000 0.313 97 V C -2.753 173.315 176.094 -0.043 0.000 1.099 97 V CA -2.382 59.895 62.300 -0.038 0.000 0.971 97 V CB 1.693 33.495 31.823 -0.035 0.000 1.028 97 V HN 0.584 nan 8.190 nan 0.000 0.430 98 P HA 0.218 nan 4.420 nan 0.000 0.265 98 P C -0.707 176.535 177.300 -0.097 0.000 1.187 98 P CA 0.353 63.410 63.100 -0.072 0.000 0.766 98 P CB 1.188 32.849 31.700 -0.065 0.000 0.820 99 V N 1.931 121.751 119.914 -0.157 0.000 3.012 99 V HA 0.826 4.946 4.120 0.000 0.000 0.307 99 V C 0.271 176.067 176.094 -0.496 0.000 1.166 99 V CA 0.392 62.544 62.300 -0.246 0.000 0.974 99 V CB 2.130 33.859 31.823 -0.158 0.000 1.040 99 V HN 1.070 nan 8.190 nan 0.000 0.428 100 G N 2.937 111.247 108.800 -0.817 0.000 2.347 100 G HA2 0.031 3.991 3.960 0.000 0.000 0.341 100 G HA3 0.031 3.991 3.960 0.000 0.000 0.341 100 G C -0.006 174.444 174.900 -0.750 0.000 1.287 100 G CA 0.127 44.424 45.100 -1.338 0.000 0.984 100 G HN 0.745 nan 8.290 nan 0.000 0.526 101 E N -0.441 119.420 120.200 -0.566 0.000 2.338 101 E HA 0.014 4.364 4.350 0.000 0.000 0.197 101 E C 1.938 178.481 176.600 -0.095 0.000 1.007 101 E CA 1.625 57.919 56.400 -0.177 0.000 0.849 101 E CB 0.065 29.724 29.700 -0.069 0.000 0.774 101 E HN 0.516 nan 8.360 nan 0.000 0.506 102 E N -0.429 119.687 120.200 -0.141 0.000 2.482 102 E HA -0.064 4.286 4.350 0.000 0.000 0.196 102 E C 1.400 177.967 176.600 -0.055 0.000 1.047 102 E CA 0.299 56.650 56.400 -0.082 0.000 0.869 102 E CB 0.138 29.783 29.700 -0.091 0.000 0.836 102 E HN 0.287 nan 8.360 nan 0.000 0.520 103 L N 0.147 121.335 121.223 -0.058 0.000 2.341 103 L HA 0.064 4.404 4.340 0.000 0.000 0.214 103 L C 0.406 177.289 176.870 0.022 0.000 1.115 103 L CA -0.029 54.799 54.840 -0.021 0.000 0.820 103 L CB 0.022 42.066 42.059 -0.024 0.000 0.944 103 L HN 0.104 nan 8.230 nan 0.000 0.452 104 L N -0.094 121.158 121.223 0.049 0.000 2.514 104 L HA 0.089 4.429 4.340 0.000 0.000 0.280 104 L C 1.499 178.389 176.870 0.033 0.000 1.223 104 L CA 0.812 55.693 54.840 0.068 0.000 0.864 104 L CB -0.082 42.037 42.059 0.101 0.000 1.118 104 L HN 0.323 nan 8.230 nan 0.000 0.494 105 G N 1.139 109.949 108.800 0.016 0.000 2.184 105 G HA2 -0.236 3.724 3.960 0.000 0.000 0.264 105 G HA3 -0.236 3.724 3.960 0.000 0.000 0.264 105 G C 0.324 175.217 174.900 -0.011 0.000 0.975 105 G CA -0.167 44.926 45.100 -0.012 0.000 0.642 105 G HN 0.476 nan 8.290 nan 0.000 0.536 106 R N -0.318 120.182 120.500 -0.001 0.000 2.664 106 R HA 0.653 4.994 4.340 0.000 0.000 0.286 106 R C -0.299 176.003 176.300 0.004 0.000 0.967 106 R CA -0.760 55.339 56.100 -0.002 0.000 0.933 106 R CB 1.852 32.151 30.300 -0.003 0.000 1.146 106 R HN 0.171 nan 8.270 nan 0.000 0.468 107 V N 2.988 122.904 119.914 0.003 0.000 2.370 107 V HA 0.354 4.474 4.120 0.000 0.000 0.279 107 V C 0.390 176.490 176.094 0.010 0.000 1.029 107 V CA -0.722 61.585 62.300 0.012 0.000 0.870 107 V CB 1.331 33.161 31.823 0.011 0.000 0.984 107 V HN 0.601 nan 8.190 nan 0.000 0.451 108 V N 1.563 121.485 119.914 0.013 0.000 3.046 108 V HA 0.839 4.959 4.120 0.000 0.000 0.316 108 V C -0.355 175.745 176.094 0.010 0.000 1.104 108 V CA -0.864 61.439 62.300 0.006 0.000 1.006 108 V CB 2.105 33.926 31.823 -0.003 0.000 1.058 108 V HN 0.804 nan 8.190 nan 0.000 0.440 109 D N 1.861 122.264 120.400 0.005 0.000 2.478 109 D HA 0.544 5.184 4.640 0.000 0.000 0.269 109 D C 1.163 177.459 176.300 -0.008 0.000 1.232 109 D CA 0.042 54.046 54.000 0.007 0.000 1.059 109 D CB 1.015 41.822 40.800 0.011 0.000 1.104 109 D HN 0.800 nan 8.370 nan 0.000 0.566 110 A N -0.658 122.157 122.820 -0.009 0.000 1.972 110 A HA -0.053 4.267 4.320 0.000 0.000 0.219 110 A C 2.233 179.766 177.584 -0.085 0.000 1.169 110 A CA 0.957 52.976 52.037 -0.030 0.000 0.635 110 A CB -0.905 18.092 19.000 -0.005 0.000 0.810 110 A HN 0.543 nan 8.150 nan 0.000 0.446 111 L N -1.715 119.445 121.223 -0.106 0.000 2.492 111 L HA 0.187 4.527 4.340 0.000 0.000 0.223 111 L C 1.698 178.521 176.870 -0.078 0.000 1.132 111 L CA 0.644 55.401 54.840 -0.138 0.000 0.850 111 L CB -0.018 41.951 42.059 -0.149 0.000 0.966 111 L HN 0.579 nan 8.230 nan 0.000 0.454 112 G N -0.677 108.093 108.800 -0.049 0.000 2.163 112 G HA2 -0.220 3.740 3.960 0.000 0.000 0.213 112 G HA3 -0.220 3.740 3.960 0.000 0.000 0.213 112 G C -0.001 174.882 174.900 -0.027 0.000 0.991 112 G CA -0.510 44.568 45.100 -0.036 0.000 0.653 112 G HN 0.308 nan 8.290 nan 0.000 0.518 113 N N 1.192 119.879 118.700 -0.022 0.000 2.520 113 N HA 0.503 5.243 4.740 0.000 0.000 0.273 113 N C 0.713 176.218 175.510 -0.007 0.000 1.155 113 N CA 0.603 53.645 53.050 -0.013 0.000 0.967 113 N CB 1.298 39.782 38.487 -0.006 0.000 1.092 113 N HN 0.712 nan 8.380 nan 0.000 0.457 114 A N 1.838 124.653 122.820 -0.007 0.000 2.511 114 A HA 0.212 4.532 4.320 0.000 0.000 0.242 114 A C 1.090 178.675 177.584 0.001 0.000 1.069 114 A CA 0.024 52.059 52.037 -0.004 0.000 0.763 114 A CB -0.512 18.484 19.000 -0.006 0.000 1.001 114 A HN 0.812 nan 8.150 nan 0.000 0.498 115 I N -1.187 119.386 120.570 0.004 0.000 3.817 115 I HA 0.296 4.466 4.170 0.000 0.000 0.322 115 I C -0.039 176.081 176.117 0.006 0.000 1.512 115 I CA -0.239 61.065 61.300 0.007 0.000 1.066 115 I CB 0.784 38.792 38.000 0.012 0.000 1.336 115 I HN 0.389 nan 8.210 nan 0.000 0.539 116 D N 0.624 121.025 120.400 0.002 0.000 2.395 116 D HA 0.221 4.861 4.640 0.000 0.000 0.213 116 D C 1.599 177.898 176.300 -0.003 0.000 1.110 116 D CA 0.296 54.296 54.000 -0.001 0.000 0.835 116 D CB 0.309 41.106 40.800 -0.004 0.000 0.965 116 D HN 0.425 nan 8.370 nan 0.000 0.505 117 G N 1.015 109.815 108.800 -0.001 0.000 2.155 117 G HA2 -0.379 3.581 3.960 0.000 0.000 0.257 117 G HA3 -0.379 3.581 3.960 0.000 0.000 0.257 117 G C 0.756 175.654 174.900 -0.003 0.000 0.983 117 G CA 0.456 45.555 45.100 -0.001 0.000 0.676 117 G HN 0.456 nan 8.290 nan 0.000 0.528 118 K N 0.348 120.745 120.400 -0.004 0.000 2.493 118 K HA 0.473 4.793 4.320 0.000 0.000 0.207 118 K C 1.346 177.943 176.600 -0.006 0.000 1.033 118 K CA 0.408 56.692 56.287 -0.006 0.000 1.161 118 K CB 0.249 32.745 32.500 -0.007 0.000 0.873 118 K HN 1.377 nan 8.250 nan 0.000 0.491 119 G N 2.116 110.913 108.800 -0.005 0.000 2.728 119 G HA2 -0.197 3.763 3.960 0.000 0.000 0.294 119 G HA3 -0.197 3.763 3.960 0.000 0.000 0.294 119 G C -2.752 172.143 174.900 -0.007 0.000 1.342 119 G CA -1.290 43.807 45.100 -0.005 0.000 0.866 119 G HN 0.038 nan 8.290 nan 0.000 0.534 120 P HA 0.425 nan 4.420 nan 0.000 0.271 120 P C 0.577 177.868 177.300 -0.016 0.000 1.218 120 P CA -0.516 62.577 63.100 -0.011 0.000 0.780 120 P CB 0.397 32.091 31.700 -0.011 0.000 0.901 121 I N 1.108 121.666 120.570 -0.020 0.000 2.638 121 I HA 0.174 4.344 4.170 0.000 0.000 0.286 121 I C 1.441 177.539 176.117 -0.033 0.000 1.088 121 I CA 0.181 61.464 61.300 -0.029 0.000 1.397 121 I CB 0.277 38.255 38.000 -0.036 0.000 1.414 121 I HN 0.475 nan 8.210 nan 0.000 0.566 122 G N 3.885 112.662 108.800 -0.038 0.000 4.198 122 G HA2 0.230 4.190 3.960 0.000 0.000 0.282 122 G HA3 0.230 4.190 3.960 0.000 0.000 0.282 122 G C 0.230 175.097 174.900 -0.055 0.000 1.262 122 G CA -0.185 44.892 45.100 -0.039 0.000 1.473 122 G HN 0.532 nan 8.290 nan 0.000 0.624 123 S N -0.229 115.433 115.700 -0.063 0.000 2.564 123 S HA 0.219 4.689 4.470 0.000 0.000 0.278 123 S C 1.077 175.634 174.600 -0.072 0.000 1.333 123 S CA -0.056 58.092 58.200 -0.087 0.000 1.048 123 S CB 1.536 64.681 63.200 -0.092 0.000 0.900 123 S HN 0.521 nan 8.310 nan 0.000 0.505 124 K N 1.063 121.412 120.400 -0.085 0.000 2.425 124 K HA 0.366 4.686 4.320 0.000 0.000 0.201 124 K C 0.137 176.704 176.600 -0.054 0.000 1.128 124 K CA 0.053 56.306 56.287 -0.058 0.000 1.000 124 K CB 0.854 33.326 32.500 -0.048 0.000 0.961 124 K HN 0.572 nan 8.250 nan 0.000 0.555 125 A N 1.068 123.838 122.820 -0.082 0.000 2.380 125 A HA 0.732 5.052 4.320 0.000 0.000 0.315 125 A C -0.881 176.661 177.584 -0.069 0.000 1.101 125 A CA -0.696 51.304 52.037 -0.062 0.000 0.771 125 A CB 1.193 20.164 19.000 -0.049 0.000 1.287 125 A HN 0.073 nan 8.150 nan 0.000 0.436 126 R N -0.294 120.185 120.500 -0.036 0.000 2.912 126 R HA 0.825 5.165 4.340 0.000 0.000 0.262 126 R C -0.783 175.513 176.300 -0.008 0.000 1.057 126 R CA -0.864 55.218 56.100 -0.030 0.000 0.981 126 R CB 2.435 32.722 30.300 -0.023 0.000 1.201 126 R HN 0.782 nan 8.270 nan 0.000 0.484 127 R N 0.680 121.178 120.500 -0.004 0.000 2.563 127 R HA 0.241 4.581 4.340 0.000 0.000 0.262 127 R C -1.249 175.058 176.300 0.012 0.000 1.128 127 R CA -0.695 55.413 56.100 0.014 0.000 0.969 127 R CB 1.566 31.882 30.300 0.026 0.000 1.251 127 R HN 0.526 nan 8.270 nan 0.000 0.442 128 R N 1.889 122.399 120.500 0.016 0.000 2.537 128 R HA 0.030 4.370 4.340 0.000 0.000 0.280 128 R C 1.411 177.720 176.300 0.016 0.000 1.058 128 R CA 0.229 56.337 56.100 0.013 0.000 1.057 128 R CB 0.841 31.148 30.300 0.013 0.000 0.973 128 R HN 0.541 nan 8.270 nan 0.000 0.438 129 V N 0.375 120.295 119.914 0.009 0.000 3.306 129 V HA 0.156 4.276 4.120 0.000 0.000 0.264 129 V C 0.976 177.061 176.094 -0.014 0.000 1.149 129 V CA 1.433 63.745 62.300 0.021 0.000 1.143 129 V CB 0.272 32.111 31.823 0.027 0.000 0.767 129 V HN 0.806 nan 8.190 nan 0.000 0.476 130 G N 0.712 109.481 108.800 -0.051 0.000 4.757 130 G HA2 0.499 4.459 3.960 0.000 0.000 0.303 130 G HA3 0.499 4.459 3.960 0.000 0.000 0.303 130 G C -0.136 174.735 174.900 -0.048 0.000 1.318 130 G CA -0.412 44.624 45.100 -0.107 0.000 1.020 130 G HN 0.354 nan 8.290 nan 0.000 0.589 131 L N 0.552 121.768 121.223 -0.011 0.000 2.397 131 L HA 0.305 4.645 4.340 0.000 0.000 0.271 131 L C 0.817 177.690 176.870 0.006 0.000 1.148 131 L CA -0.501 54.343 54.840 0.006 0.000 0.825 131 L CB 1.289 43.362 42.059 0.022 0.000 1.117 131 L HN 0.136 nan 8.230 nan 0.000 0.456 132 K N 2.097 122.504 120.400 0.013 0.000 2.401 132 K HA 0.272 4.592 4.320 0.000 0.000 0.278 132 K C -0.042 176.566 176.600 0.013 0.000 1.018 132 K CA -0.421 55.877 56.287 0.017 0.000 0.981 132 K CB 0.895 33.411 32.500 0.026 0.000 0.933 132 K HN 0.678 nan 8.250 nan 0.000 0.477 133 A N 5.687 128.513 122.820 0.011 0.000 2.531 133 A HA 0.165 4.485 4.320 0.000 0.000 0.236 133 A C -2.022 175.554 177.584 -0.014 0.000 1.062 133 A CA -1.032 51.007 52.037 0.003 0.000 0.760 133 A CB -0.512 18.489 19.000 0.003 0.000 0.995 133 A HN 0.634 nan 8.150 nan 0.000 0.501 134 P HA 0.135 nan 4.420 nan 0.000 0.266 134 P C 0.696 177.945 177.300 -0.085 0.000 1.195 134 P CA 0.528 63.575 63.100 -0.088 0.000 0.768 134 P CB 0.465 32.078 31.700 -0.144 0.000 0.838 135 G N 1.661 110.405 108.800 -0.093 0.000 2.514 135 G HA2 0.146 4.106 3.960 0.000 0.000 0.245 135 G HA3 0.146 4.106 3.960 0.000 0.000 0.245 135 G C 1.118 175.971 174.900 -0.079 0.000 1.488 135 G CA -0.535 44.526 45.100 -0.064 0.000 1.063 135 G HN 0.402 nan 8.290 nan 0.000 0.557 136 I N 0.017 120.555 120.570 -0.053 0.000 2.193 136 I HA -0.061 4.109 4.170 0.000 0.000 0.240 136 I C 2.599 178.680 176.117 -0.061 0.000 1.084 136 I CA 0.533 61.807 61.300 -0.044 0.000 1.365 136 I CB -0.074 37.914 38.000 -0.019 0.000 1.064 136 I HN 0.247 nan 8.210 nan 0.000 0.410 137 I N 0.993 121.528 120.570 -0.059 0.000 2.226 137 I HA -0.152 4.019 4.170 0.000 0.000 0.245 137 I C -0.311 175.743 176.117 -0.106 0.000 1.100 137 I CA 1.648 62.923 61.300 -0.040 0.000 1.374 137 I CB -2.639 35.370 38.000 0.015 0.000 1.057 137 I HN 0.166 nan 8.210 nan 0.000 0.413 138 P HA -0.069 nan 4.420 nan 0.000 0.231 138 P C 0.258 177.350 177.300 -0.346 0.000 1.158 138 P CA 1.039 63.707 63.100 -0.719 0.000 0.763 138 P CB 0.033 31.003 31.700 -1.218 0.000 0.805 139 R N -0.590 119.805 120.500 -0.175 0.000 2.674 139 R HA 0.702 5.042 4.340 0.000 0.000 0.266 139 R C -0.156 176.125 176.300 -0.031 0.000 1.016 139 R CA -0.969 55.078 56.100 -0.087 0.000 1.062 139 R CB 1.469 31.727 30.300 -0.070 0.000 1.142 139 R HN -0.012 nan 8.270 nan 0.000 0.517 140 I N -0.674 119.891 120.570 -0.010 0.000 3.145 140 I HA 0.262 4.432 4.170 0.000 0.000 0.313 140 I C -0.356 175.761 176.117 -0.001 0.000 1.122 140 I CA -0.661 60.641 61.300 0.002 0.000 0.987 140 I CB 2.484 40.493 38.000 0.016 0.000 1.236 140 I HN 0.583 nan 8.210 nan 0.000 0.453 141 S N 1.823 117.522 115.700 -0.001 0.000 2.559 141 S HA 0.092 4.562 4.470 0.000 0.000 0.282 141 S C -0.396 174.200 174.600 -0.006 0.000 1.336 141 S CA -0.579 57.619 58.200 -0.004 0.000 1.037 141 S CB 0.602 63.800 63.200 -0.003 0.000 0.853 141 S HN 0.359 nan 8.310 nan 0.000 0.523 142 V N 3.688 123.596 119.914 -0.010 0.000 2.381 142 V HA 0.125 4.245 4.120 0.000 0.000 0.257 142 V C 1.092 177.171 176.094 -0.025 0.000 1.057 142 V CA 0.490 62.779 62.300 -0.018 0.000 1.013 142 V CB -0.114 31.698 31.823 -0.017 0.000 1.069 142 V HN 0.751 nan 8.190 nan 0.000 0.484 143 R N 1.982 122.462 120.500 -0.032 0.000 2.287 143 R HA 0.222 4.562 4.340 0.000 0.000 0.197 143 R C 0.277 176.542 176.300 -0.058 0.000 0.900 143 R CA 0.048 56.127 56.100 -0.036 0.000 1.052 143 R CB 0.687 30.972 30.300 -0.026 0.000 1.117 143 R HN 0.681 nan 8.270 nan 0.000 0.568 144 E N 1.891 122.040 120.200 -0.086 0.000 2.249 144 E HA 0.222 4.572 4.350 0.000 0.000 0.280 144 E C -2.537 173.979 176.600 -0.141 0.000 1.016 144 E CA -2.379 53.943 56.400 -0.130 0.000 0.830 144 E CB 1.074 30.658 29.700 -0.194 0.000 1.081 144 E HN -0.126 nan 8.360 nan 0.000 0.395 145 P HA 0.025 nan 4.420 nan 0.000 0.271 145 P C -0.689 176.514 177.300 -0.161 0.000 1.220 145 P CA -0.062 62.964 63.100 -0.123 0.000 0.768 145 P CB 0.438 32.075 31.700 -0.105 0.000 0.848 146 M N 3.881 123.415 119.600 -0.109 0.000 2.131 146 M HA 0.152 4.632 4.480 0.000 0.000 0.345 146 M C -0.623 175.662 176.300 -0.025 0.000 1.060 146 M CA -0.463 54.781 55.300 -0.093 0.000 1.011 146 M CB 0.314 32.868 32.600 -0.076 0.000 1.328 146 M HN 0.317 nan 8.290 nan 0.000 0.396 147 Q N 2.458 122.270 119.800 0.020 0.000 2.296 147 Q HA 0.170 4.510 4.340 0.000 0.000 0.262 147 Q C 1.227 177.277 176.000 0.084 0.000 0.981 147 Q CA 0.167 56.018 55.803 0.081 0.000 0.905 147 Q CB 0.738 29.584 28.738 0.179 0.000 1.186 147 Q HN 0.734 nan 8.270 nan 0.000 0.399 148 T N -1.442 113.140 114.554 0.047 0.000 3.014 148 T HA 0.112 4.462 4.350 0.000 0.000 0.263 148 T C 1.266 175.981 174.700 0.025 0.000 1.078 148 T CA 0.594 62.714 62.100 0.034 0.000 1.135 148 T CB 0.090 68.970 68.868 0.021 0.000 0.895 148 T HN 0.835 nan 8.240 nan 0.000 0.480 149 G N 1.401 110.215 108.800 0.024 0.000 2.176 149 G HA2 -0.193 3.767 3.960 0.000 0.000 0.253 149 G HA3 -0.193 3.767 3.960 0.000 0.000 0.253 149 G C 0.005 174.903 174.900 -0.003 0.000 0.979 149 G CA 0.051 45.154 45.100 0.005 0.000 0.641 149 G HN 0.647 nan 8.290 nan 0.000 0.530 150 I N 1.028 121.598 120.570 0.002 0.000 2.328 150 I HA 0.269 4.439 4.170 0.000 0.000 0.287 150 I C 1.560 177.679 176.117 0.003 0.000 1.012 150 I CA -0.827 60.470 61.300 -0.004 0.000 1.195 150 I CB 1.328 39.323 38.000 -0.008 0.000 1.350 150 I HN -0.009 nan 8.210 nan 0.000 0.464 151 K N 4.176 124.578 120.400 0.003 0.000 2.052 151 K HA -0.291 4.029 4.320 0.000 0.000 0.215 151 K C 2.093 178.701 176.600 0.013 0.000 1.053 151 K CA 2.140 58.433 56.287 0.011 0.000 0.934 151 K CB -0.238 32.269 32.500 0.012 0.000 0.717 151 K HN 0.799 nan 8.250 nan 0.000 0.450 152 A N 0.873 123.699 122.820 0.010 0.000 1.908 152 A HA -0.152 4.169 4.320 0.000 0.000 0.218 152 A C 2.421 180.016 177.584 0.017 0.000 1.181 152 A CA 1.818 53.863 52.037 0.014 0.000 0.627 152 A CB -0.660 18.346 19.000 0.011 0.000 0.818 152 A HN 0.117 nan 8.150 nan 0.000 0.445 153 V N 0.286 120.209 119.914 0.015 0.000 2.323 153 V HA -0.172 3.948 4.120 0.000 0.000 0.244 153 V C 2.057 178.161 176.094 0.017 0.000 1.041 153 V CA 2.107 64.418 62.300 0.018 0.000 1.025 153 V CB -0.772 31.061 31.823 0.016 0.000 0.656 153 V HN 0.459 nan 8.190 nan 0.000 0.451 154 D N 0.310 120.720 120.400 0.016 0.000 2.219 154 D HA -0.098 4.542 4.640 0.000 0.000 0.205 154 D C 2.388 178.697 176.300 0.016 0.000 0.970 154 D CA 1.662 55.671 54.000 0.016 0.000 0.851 154 D CB -0.018 40.794 40.800 0.019 0.000 0.943 154 D HN 0.610 nan 8.370 nan 0.000 0.488 155 S N -0.532 115.178 115.700 0.018 0.000 2.398 155 S HA 0.057 4.527 4.470 0.000 0.000 0.220 155 S C 2.111 176.721 174.600 0.017 0.000 1.046 155 S CA 0.085 58.296 58.200 0.018 0.000 0.953 155 S CB -0.394 62.818 63.200 0.020 0.000 0.856 155 S HN 0.158 nan 8.310 nan 0.000 0.506 156 L N 1.571 122.806 121.223 0.019 0.000 2.168 156 L HA 0.253 4.593 4.340 0.000 0.000 0.203 156 L C 0.976 177.859 176.870 0.022 0.000 1.078 156 L CA 0.624 55.477 54.840 0.022 0.000 0.780 156 L CB -0.153 41.923 42.059 0.028 0.000 0.939 156 L HN 0.415 nan 8.230 nan 0.000 0.451 157 V N -2.843 117.084 119.914 0.023 0.000 2.572 157 V HA 0.398 4.519 4.120 0.000 0.000 0.274 157 V C -2.578 173.526 176.094 0.017 0.000 1.075 157 V CA -1.903 60.410 62.300 0.022 0.000 1.237 157 V CB -0.329 31.513 31.823 0.031 0.000 1.517 157 V HN -0.060 nan 8.190 nan 0.000 0.616 158 P HA 0.272 nan 4.420 nan 0.000 0.267 158 P C -0.315 176.985 177.300 0.001 0.000 1.200 158 P CA 0.477 63.580 63.100 0.005 0.000 0.772 158 P CB 1.346 33.047 31.700 0.001 0.000 0.855 159 I N 1.499 122.067 120.570 -0.004 0.000 2.433 159 I HA 0.484 4.654 4.170 0.000 0.000 0.292 159 I C 1.014 177.115 176.117 -0.026 0.000 1.001 159 I CA -0.535 60.760 61.300 -0.009 0.000 1.119 159 I CB 2.046 40.044 38.000 -0.003 0.000 1.289 159 I HN 0.321 nan 8.210 nan 0.000 0.438 160 G N 4.350 113.131 108.800 -0.032 0.000 2.509 160 G HA2 0.565 4.525 3.960 0.000 0.000 0.328 160 G HA3 0.565 4.525 3.960 0.000 0.000 0.328 160 G C -0.596 174.265 174.900 -0.064 0.000 1.194 160 G CA -0.857 44.211 45.100 -0.054 0.000 0.967 160 G HN 0.523 nan 8.290 nan 0.000 0.488 161 R N -0.203 120.235 120.500 -0.103 0.000 2.288 161 R HA 0.431 4.771 4.340 0.000 0.000 0.330 161 R C 1.099 177.365 176.300 -0.056 0.000 1.069 161 R CA 1.301 57.328 56.100 -0.120 0.000 0.941 161 R CB 0.643 30.782 30.300 -0.269 0.000 0.998 161 R HN 1.044 nan 8.270 nan 0.000 0.452 162 G N 1.883 110.673 108.800 -0.017 0.000 2.211 162 G HA2 -0.262 3.698 3.960 0.000 0.000 0.201 162 G HA3 -0.262 3.698 3.960 0.000 0.000 0.201 162 G C 0.137 175.040 174.900 0.005 0.000 0.997 162 G CA -0.404 44.701 45.100 0.008 0.000 0.652 162 G HN 0.554 nan 8.290 nan 0.000 0.500 163 Q N 0.046 119.844 119.800 -0.004 0.000 2.368 163 Q HA 0.649 4.989 4.340 0.000 0.000 0.237 163 Q C -0.025 175.981 176.000 0.010 0.000 0.987 163 Q CA -0.405 55.398 55.803 0.001 0.000 0.896 163 Q CB 0.430 29.165 28.738 -0.006 0.000 1.241 163 Q HN 0.284 nan 8.270 nan 0.000 0.485 164 R N 1.853 122.361 120.500 0.013 0.000 2.295 164 R HA 0.298 4.638 4.340 0.000 0.000 0.324 164 R C -1.363 174.947 176.300 0.017 0.000 0.968 164 R CA -0.431 55.681 56.100 0.019 0.000 0.837 164 R CB 1.531 31.840 30.300 0.016 0.000 1.133 164 R HN 0.436 nan 8.270 nan 0.000 0.450 165 E N 2.773 122.985 120.200 0.020 0.000 2.220 165 E HA 0.264 4.614 4.350 0.000 0.000 0.256 165 E C -1.494 175.123 176.600 0.027 0.000 0.881 165 E CA -0.856 55.557 56.400 0.022 0.000 0.766 165 E CB 0.922 30.634 29.700 0.020 0.000 1.187 165 E HN 0.374 nan 8.360 nan 0.000 0.419 166 L N 5.539 126.779 121.223 0.029 0.000 2.380 166 L HA 0.463 4.803 4.340 0.000 0.000 0.273 166 L C -0.981 175.919 176.870 0.049 0.000 1.138 166 L CA 0.177 55.036 54.840 0.032 0.000 0.832 166 L CB 0.472 42.547 42.059 0.027 0.000 1.124 166 L HN 0.614 nan 8.230 nan 0.000 0.454 167 I N 6.769 127.367 120.570 0.047 0.000 2.354 167 I HA 0.450 4.620 4.170 0.000 0.000 0.292 167 I C -0.374 175.786 176.117 0.070 0.000 0.989 167 I CA -0.336 60.998 61.300 0.056 0.000 1.188 167 I CB 1.439 39.463 38.000 0.038 0.000 1.342 167 I HN 0.600 nan 8.210 nan 0.000 0.457 168 I N 4.939 125.580 120.570 0.117 0.000 2.692 168 I HA 0.861 5.031 4.170 0.000 0.000 0.293 168 I C -0.530 175.695 176.117 0.181 0.000 1.200 168 I CA 0.111 61.517 61.300 0.176 0.000 1.036 168 I CB 2.059 40.197 38.000 0.229 0.000 1.258 168 I HN 0.735 nan 8.210 nan 0.000 0.421 169 G N 4.712 113.575 108.800 0.105 0.000 2.316 169 G HA2 0.194 4.154 3.960 0.000 0.000 0.296 169 G HA3 0.194 4.154 3.960 0.000 0.000 0.296 169 G C -1.917 172.966 174.900 -0.027 0.000 1.399 169 G CA -0.812 44.246 45.100 -0.068 0.000 0.833 169 G HN 0.530 nan 8.290 nan 0.000 0.565 170 D N -0.225 120.130 120.400 -0.075 0.000 2.372 170 D HA 0.286 4.927 4.640 0.000 0.000 0.243 170 D C 1.072 177.327 176.300 -0.076 0.000 1.297 170 D CA -0.030 53.942 54.000 -0.047 0.000 0.958 170 D CB 0.466 41.234 40.800 -0.054 0.000 1.114 170 D HN 0.499 nan 8.370 nan 0.000 0.496 171 R N 0.627 121.093 120.500 -0.056 0.000 2.537 171 R HA -0.043 4.297 4.340 0.000 0.000 0.280 171 R C -0.156 176.057 176.300 -0.146 0.000 1.058 171 R CA 0.114 56.172 56.100 -0.071 0.000 1.057 171 R CB 0.171 30.452 30.300 -0.033 0.000 0.973 171 R HN 0.292 nan 8.270 nan 0.000 0.438 172 Q N 1.006 120.693 119.800 -0.188 0.000 2.481 172 Q HA -0.148 4.192 4.340 0.000 0.000 0.283 172 Q C 0.332 175.946 176.000 -0.645 0.000 1.292 172 Q CA 1.492 57.092 55.803 -0.339 0.000 0.819 172 Q CB -1.929 26.644 28.738 -0.276 0.000 1.202 172 Q HN 0.972 nan 8.270 nan 0.000 0.446 173 T N -5.405 108.861 114.554 -0.480 0.000 2.971 173 T HA 0.449 4.799 4.350 0.000 0.000 0.252 173 T C 1.166 175.705 174.700 -0.268 0.000 1.022 173 T CA 0.903 62.700 62.100 -0.506 0.000 0.980 173 T CB 1.143 69.825 68.868 -0.310 0.000 1.044 173 T HN 0.887 nan 8.240 nan 0.000 0.501 174 G N 1.462 110.149 108.800 -0.187 0.000 2.148 174 G HA2 -0.142 3.818 3.960 0.000 0.000 0.120 174 G HA3 -0.142 3.818 3.960 0.000 0.000 0.120 174 G C 0.647 175.529 174.900 -0.031 0.000 1.034 174 G CA 0.087 45.159 45.100 -0.048 0.000 0.710 174 G HN 0.412 nan 8.290 nan 0.000 0.495 175 K N -0.141 120.233 120.400 -0.043 0.000 2.002 175 K HA -0.067 4.253 4.320 0.000 0.000 0.209 175 K C 2.507 179.119 176.600 0.020 0.000 1.048 175 K CA 1.888 58.169 56.287 -0.009 0.000 0.930 175 K CB -0.326 32.170 32.500 -0.007 0.000 0.714 175 K HN 0.275 nan 8.250 nan 0.000 0.438 176 T N 1.247 115.819 114.554 0.031 0.000 2.788 176 T HA -0.112 4.238 4.350 0.000 0.000 0.268 176 T C 2.117 176.839 174.700 0.036 0.000 1.044 176 T CA 1.568 63.709 62.100 0.068 0.000 1.139 176 T CB -0.201 68.712 68.868 0.076 0.000 0.867 176 T HN 0.169 nan 8.240 nan 0.000 0.454 177 S N 1.287 116.987 115.700 0.001 0.000 2.370 177 S HA -0.037 4.433 4.470 0.000 0.000 0.226 177 S C 2.025 176.601 174.600 -0.040 0.000 1.033 177 S CA 0.973 59.147 58.200 -0.044 0.000 1.011 177 S CB -0.448 62.702 63.200 -0.083 0.000 0.852 177 S HN 0.427 nan 8.310 nan 0.000 0.457 178 I N 1.505 122.066 120.570 -0.015 0.000 2.286 178 I HA -0.211 3.959 4.170 0.000 0.000 0.248 178 I C 2.613 178.740 176.117 0.016 0.000 1.115 178 I CA 1.121 62.419 61.300 -0.005 0.000 1.392 178 I CB -0.368 37.635 38.000 0.005 0.000 1.065 178 I HN 0.288 nan 8.210 nan 0.000 0.418 179 A N 0.585 123.429 122.820 0.040 0.000 1.897 179 A HA -0.110 4.210 4.320 0.000 0.000 0.215 179 A C 2.175 179.795 177.584 0.059 0.000 1.181 179 A CA 1.082 53.161 52.037 0.069 0.000 0.620 179 A CB -0.454 18.622 19.000 0.127 0.000 0.821 179 A HN 0.255 nan 8.150 nan 0.000 0.443 180 I N 0.569 121.157 120.570 0.030 0.000 2.394 180 I HA -0.155 4.015 4.170 0.000 0.000 0.251 180 I C 1.604 177.739 176.117 0.030 0.000 1.136 180 I CA 1.437 62.736 61.300 -0.002 0.000 1.425 180 I CB -1.250 36.747 38.000 -0.006 0.000 1.079 180 I HN 0.250 nan 8.210 nan 0.000 0.425 181 D N -0.072 120.340 120.400 0.019 0.000 2.183 181 D HA -0.097 4.543 4.640 0.000 0.000 0.203 181 D C 2.183 178.499 176.300 0.027 0.000 0.969 181 D CA 1.062 55.072 54.000 0.017 0.000 0.842 181 D CB 0.136 40.916 40.800 -0.034 0.000 0.957 181 D HN 0.187 nan 8.370 nan 0.000 0.484 182 T N 0.453 115.026 114.554 0.031 0.000 2.708 182 T HA -0.083 4.267 4.350 0.000 0.000 0.266 182 T C 2.130 176.869 174.700 0.065 0.000 1.037 182 T CA 0.672 62.797 62.100 0.042 0.000 1.146 182 T CB -0.206 68.686 68.868 0.040 0.000 0.865 182 T HN 0.154 nan 8.240 nan 0.000 0.435 183 I N 0.591 121.208 120.570 0.078 0.000 2.163 183 I HA -0.179 3.991 4.170 0.000 0.000 0.243 183 I C 2.270 178.495 176.117 0.180 0.000 1.085 183 I CA 1.437 62.814 61.300 0.130 0.000 1.347 183 I CB -0.458 37.590 38.000 0.080 0.000 1.044 183 I HN 0.218 nan 8.210 nan 0.000 0.408 184 I N 0.697 121.330 120.570 0.104 0.000 2.179 184 I HA -0.316 3.854 4.170 0.000 0.000 0.242 184 I C 2.354 178.516 176.117 0.074 0.000 1.088 184 I CA 1.531 62.892 61.300 0.100 0.000 1.357 184 I CB -0.525 37.517 38.000 0.069 0.000 1.051 184 I HN 0.306 nan 8.210 nan 0.000 0.409 185 N N 0.769 119.483 118.700 0.024 0.000 2.132 185 N HA -0.255 4.485 4.740 0.000 0.000 0.191 185 N C 1.783 177.191 175.510 -0.170 0.000 1.015 185 N CA 1.470 54.484 53.050 -0.060 0.000 0.864 185 N CB -0.038 38.432 38.487 -0.028 0.000 1.006 185 N HN 0.228 nan 8.380 nan 0.000 0.430 186 Q N 0.430 120.183 119.800 -0.077 0.000 2.439 186 Q HA -0.100 4.240 4.340 0.000 0.000 0.211 186 Q C 1.681 177.451 176.000 -0.383 0.000 0.978 186 Q CA 0.594 56.294 55.803 -0.171 0.000 0.897 186 Q CB -0.270 28.389 28.738 -0.132 0.000 0.956 186 Q HN 0.543 nan 8.270 nan 0.000 0.483 187 K N 1.486 121.765 120.400 -0.202 0.000 2.074 187 K HA -0.220 4.100 4.320 0.000 0.000 0.209 187 K C 2.033 178.499 176.600 -0.223 0.000 1.048 187 K CA 1.664 57.884 56.287 -0.112 0.000 0.926 187 K CB 0.026 32.578 32.500 0.087 0.000 0.713 187 K HN 0.291 nan 8.250 nan 0.000 0.444 188 R N -0.449 119.833 120.500 -0.363 0.000 2.105 188 R HA -0.143 4.197 4.340 0.000 0.000 0.239 188 R C 2.132 178.248 176.300 -0.307 0.000 1.135 188 R CA 1.893 57.769 56.100 -0.375 0.000 0.967 188 R CB -0.870 29.139 30.300 -0.486 0.000 0.861 188 R HN 0.174 nan 8.270 nan 0.000 0.442 189 F N 1.690 121.552 119.950 -0.147 0.000 2.128 189 F HA 0.005 4.532 4.527 0.000 0.000 0.295 189 F C 2.097 177.783 175.800 -0.189 0.000 1.100 189 F CA 0.443 58.345 58.000 -0.163 0.000 1.260 189 F CB -0.415 38.470 39.000 -0.192 0.000 1.009 189 F HN -0.001 nan 8.300 nan 0.000 0.476 190 N N 0.377 119.003 118.700 -0.124 0.000 2.443 190 N HA -0.141 4.599 4.740 0.000 0.000 0.184 190 N C 0.782 176.253 175.510 -0.064 0.000 1.037 190 N CA 1.283 54.216 53.050 -0.195 0.000 0.896 190 N CB -0.422 37.789 38.487 -0.460 0.000 0.959 190 N HN 0.347 nan 8.380 nan 0.000 0.442 191 D N -0.455 119.918 120.400 -0.046 0.000 2.355 191 D HA 0.097 4.737 4.640 0.000 0.000 0.206 191 D C 1.282 177.581 176.300 -0.001 0.000 1.010 191 D CA 0.206 54.201 54.000 -0.008 0.000 0.875 191 D CB -0.075 40.718 40.800 -0.011 0.000 0.966 191 D HN 0.099 nan 8.370 nan 0.000 0.512 192 G N -0.227 108.573 108.800 -0.000 0.000 2.588 192 G HA2 0.221 4.181 3.960 0.000 0.000 0.278 192 G HA3 0.221 4.181 3.960 0.000 0.000 0.278 192 G C 0.989 175.901 174.900 0.020 0.000 1.307 192 G CA -0.028 45.081 45.100 0.014 0.000 1.016 192 G HN 0.003 nan 8.290 nan 0.000 0.503 193 T N -0.435 114.131 114.554 0.019 0.000 2.937 193 T HA -0.017 4.333 4.350 0.000 0.000 0.260 193 T C 0.928 175.638 174.700 0.017 0.000 1.051 193 T CA 0.771 62.881 62.100 0.017 0.000 1.141 193 T CB -0.137 68.738 68.868 0.012 0.000 0.879 193 T HN 0.486 nan 8.240 nan 0.000 0.459 194 D N 1.768 122.177 120.400 0.016 0.000 2.426 194 D HA 0.015 4.655 4.640 0.000 0.000 0.261 194 D C 0.938 177.239 176.300 0.001 0.000 1.245 194 D CA 0.121 54.124 54.000 0.005 0.000 0.917 194 D CB 1.003 41.800 40.800 -0.004 0.000 1.123 194 D HN 0.135 nan 8.370 nan 0.000 0.508 195 E N 2.870 123.075 120.200 0.008 0.000 2.170 195 E HA -0.048 4.302 4.350 0.000 0.000 0.191 195 E C 1.255 177.864 176.600 0.015 0.000 0.981 195 E CA 0.971 57.381 56.400 0.018 0.000 0.830 195 E CB 0.257 29.977 29.700 0.033 0.000 0.775 195 E HN 0.246 nan 8.360 nan 0.000 0.470 196 K N -0.211 120.198 120.400 0.016 0.000 2.418 196 K HA 0.109 4.429 4.320 0.000 0.000 0.195 196 K C 1.519 178.145 176.600 0.044 0.000 1.035 196 K CA 0.432 56.755 56.287 0.060 0.000 1.003 196 K CB 0.219 32.756 32.500 0.062 0.000 0.793 196 K HN -0.099 nan 8.250 nan 0.000 0.494 197 K N 0.525 120.881 120.400 -0.074 0.000 2.426 197 K HA 0.053 4.373 4.320 0.000 0.000 0.193 197 K C -0.321 176.127 176.600 -0.255 0.000 1.028 197 K CA 0.221 56.364 56.287 -0.240 0.000 1.047 197 K CB 0.338 32.670 32.500 -0.279 0.000 0.821 197 K HN 0.006 nan 8.250 nan 0.000 0.513 198 K N 0.922 121.236 120.400 -0.145 0.000 2.258 198 K HA 0.112 4.432 4.320 0.000 0.000 0.264 198 K C -0.670 175.729 176.600 -0.336 0.000 1.007 198 K CA -0.170 55.967 56.287 -0.250 0.000 0.941 198 K CB 0.699 33.014 32.500 -0.308 0.000 0.966 198 K HN -0.120 nan 8.250 nan 0.000 0.480 199 L N 3.298 124.219 121.223 -0.504 0.000 2.620 199 L HA 0.262 4.602 4.340 0.000 0.000 0.261 199 L C -1.773 174.805 176.870 -0.486 0.000 0.978 199 L CA -0.286 54.316 54.840 -0.396 0.000 0.897 199 L CB 0.697 42.643 42.059 -0.188 0.000 1.207 199 L HN 0.465 nan 8.230 nan 0.000 0.425 200 Y N 3.032 123.196 120.300 -0.227 0.000 2.319 200 Y HA 0.490 5.040 4.550 0.000 0.000 0.328 200 Y C 0.663 176.447 175.900 -0.192 0.000 1.133 200 Y CA -0.163 57.776 58.100 -0.269 0.000 1.265 200 Y CB 0.868 38.917 38.460 -0.686 0.000 1.218 200 Y HN 0.496 nan 8.280 nan 0.000 0.508 201 C N 4.603 123.986 119.300 0.138 0.000 2.435 201 C HA 0.688 5.148 4.460 0.000 0.000 0.333 201 C C -0.102 174.931 174.990 0.072 0.000 1.202 201 C CA -1.041 58.037 59.018 0.101 0.000 1.830 201 C CB 0.306 28.152 27.740 0.176 0.000 2.326 201 C HN 0.634 nan 8.230 nan 0.000 0.507 202 I N 2.106 122.698 120.570 0.038 0.000 2.499 202 I HA 0.269 4.439 4.170 0.000 0.000 0.288 202 I C -1.310 174.818 176.117 0.019 0.000 1.048 202 I CA -0.482 60.834 61.300 0.027 0.000 1.062 202 I CB 1.410 39.406 38.000 -0.006 0.000 1.238 202 I HN 0.650 nan 8.210 nan 0.000 0.426 203 Y N 6.895 127.151 120.300 -0.073 0.000 2.388 203 Y HA 0.517 5.067 4.550 0.000 0.000 0.328 203 Y C -0.811 175.047 175.900 -0.070 0.000 0.963 203 Y CA -0.671 57.380 58.100 -0.082 0.000 1.240 203 Y CB 1.223 39.653 38.460 -0.049 0.000 1.118 203 Y HN 0.282 nan 8.280 nan 0.000 0.484 204 V N 6.102 125.740 119.914 -0.460 0.000 2.406 204 V HA 0.644 4.764 4.120 0.000 0.000 0.272 204 V C 0.176 175.991 176.094 -0.466 0.000 1.043 204 V CA -0.497 61.611 62.300 -0.318 0.000 0.915 204 V CB 0.690 32.402 31.823 -0.185 0.000 0.988 204 V HN 0.890 nan 8.190 nan 0.000 0.466 205 A N 6.909 129.587 122.820 -0.237 0.000 2.276 205 A HA 0.882 5.203 4.320 0.000 0.000 0.316 205 A C -0.637 176.920 177.584 -0.046 0.000 1.229 205 A CA -0.417 51.540 52.037 -0.133 0.000 0.851 205 A CB 0.299 19.349 19.000 0.083 0.000 1.165 205 A HN 0.793 nan 8.150 nan 0.000 0.513 206 I N 1.974 122.522 120.570 -0.037 0.000 2.468 206 I HA 0.558 4.728 4.170 0.000 0.000 0.285 206 I C 1.058 177.193 176.117 0.030 0.000 1.039 206 I CA 0.179 61.481 61.300 0.003 0.000 1.074 206 I CB 1.918 39.912 38.000 -0.010 0.000 1.228 206 I HN 1.001 nan 8.210 nan 0.000 0.436 207 G N 3.659 112.488 108.800 0.048 0.000 2.184 207 G HA2 -0.239 3.721 3.960 0.000 0.000 0.264 207 G HA3 -0.239 3.721 3.960 0.000 0.000 0.264 207 G C 0.291 175.221 174.900 0.051 0.000 0.975 207 G CA -0.199 44.934 45.100 0.055 0.000 0.642 207 G HN 0.609 nan 8.290 nan 0.000 0.536 208 Q N 0.576 120.407 119.800 0.052 0.000 2.394 208 Q HA 0.396 4.736 4.340 0.000 0.000 0.248 208 Q C 0.698 176.729 176.000 0.052 0.000 0.992 208 Q CA 0.324 56.162 55.803 0.057 0.000 0.888 208 Q CB 0.573 29.357 28.738 0.077 0.000 1.257 208 Q HN 0.682 nan 8.270 nan 0.000 0.462 209 K N 0.917 121.345 120.400 0.046 0.000 2.270 209 K HA 0.159 4.479 4.320 0.000 0.000 0.276 209 K C 0.473 177.097 176.600 0.040 0.000 1.023 209 K CA -0.418 55.893 56.287 0.040 0.000 0.955 209 K CB 1.076 33.596 32.500 0.033 0.000 0.975 209 K HN 0.431 nan 8.250 nan 0.000 0.471 210 R N 0.951 121.473 120.500 0.035 0.000 2.117 210 R HA -0.185 4.155 4.340 0.000 0.000 0.243 210 R C 2.006 178.323 176.300 0.027 0.000 1.143 210 R CA 2.294 58.414 56.100 0.033 0.000 0.968 210 R CB -0.327 29.990 30.300 0.028 0.000 0.863 210 R HN 0.950 nan 8.270 nan 0.000 0.444 211 S N -0.719 114.995 115.700 0.023 0.000 2.402 211 S HA -0.101 4.369 4.470 0.000 0.000 0.229 211 S C 1.867 176.477 174.600 0.017 0.000 1.021 211 S CA 1.564 59.774 58.200 0.016 0.000 0.974 211 S CB -0.310 62.899 63.200 0.014 0.000 0.800 211 S HN 0.230 nan 8.310 nan 0.000 0.484 212 T N 2.725 117.295 114.554 0.026 0.000 2.737 212 T HA -0.028 4.322 4.350 0.000 0.000 0.265 212 T C 1.974 176.690 174.700 0.027 0.000 1.038 212 T CA 1.487 63.604 62.100 0.029 0.000 1.144 212 T CB -0.594 68.300 68.868 0.043 0.000 0.866 212 T HN 0.327 nan 8.240 nan 0.000 0.434 213 V N 1.924 121.865 119.914 0.044 0.000 2.407 213 V HA -0.151 3.970 4.120 0.000 0.000 0.248 213 V C 2.902 179.003 176.094 0.011 0.000 1.055 213 V CA 1.578 63.908 62.300 0.051 0.000 1.049 213 V CB -1.376 30.493 31.823 0.078 0.000 0.662 213 V HN 0.514 nan 8.190 nan 0.000 0.455 214 A N -0.737 122.087 122.820 0.007 0.000 1.877 214 A HA -0.227 4.093 4.320 0.000 0.000 0.216 214 A C 2.236 179.805 177.584 -0.025 0.000 1.186 214 A CA 1.561 53.594 52.037 -0.008 0.000 0.620 214 A CB -0.497 18.501 19.000 -0.003 0.000 0.822 214 A HN 0.503 nan 8.150 nan 0.000 0.443 215 Q N -0.684 119.104 119.800 -0.021 0.000 2.181 215 Q HA -0.130 4.210 4.340 0.000 0.000 0.205 215 Q C 2.094 178.060 176.000 -0.057 0.000 0.980 215 Q CA 0.844 56.627 55.803 -0.033 0.000 0.862 215 Q CB -0.411 28.317 28.738 -0.017 0.000 0.905 215 Q HN 0.617 nan 8.270 nan 0.000 0.429 216 L N 0.180 121.363 121.223 -0.067 0.000 1.976 216 L HA -0.160 4.180 4.340 0.000 0.000 0.209 216 L C 2.335 179.123 176.870 -0.138 0.000 1.071 216 L CA 1.419 56.181 54.840 -0.129 0.000 0.746 216 L CB -0.830 41.122 42.059 -0.179 0.000 0.890 216 L HN 0.050 nan 8.230 nan 0.000 0.432 217 V N 0.220 120.072 119.914 -0.103 0.000 2.332 217 V HA -0.320 3.800 4.120 0.000 0.000 0.248 217 V C 2.669 178.709 176.094 -0.090 0.000 1.055 217 V CA 1.914 64.159 62.300 -0.092 0.000 1.038 217 V CB -0.664 31.126 31.823 -0.055 0.000 0.651 217 V HN 0.470 nan 8.190 nan 0.000 0.450 218 K N 0.067 120.421 120.400 -0.077 0.000 2.009 218 K HA -0.266 4.054 4.320 0.000 0.000 0.210 218 K C 2.428 178.968 176.600 -0.101 0.000 1.049 218 K CA 2.115 58.355 56.287 -0.078 0.000 0.929 218 K CB -0.201 32.259 32.500 -0.066 0.000 0.714 218 K HN 0.292 nan 8.250 nan 0.000 0.440 219 R N 0.616 121.045 120.500 -0.118 0.000 2.083 219 R HA -0.105 4.235 4.340 0.000 0.000 0.237 219 R C 2.459 178.674 176.300 -0.142 0.000 1.137 219 R CA 1.530 57.538 56.100 -0.153 0.000 0.951 219 R CB -0.298 29.901 30.300 -0.167 0.000 0.851 219 R HN 0.228 nan 8.270 nan 0.000 0.434 220 L N -0.271 120.871 121.223 -0.135 0.000 2.079 220 L HA -0.193 4.147 4.340 0.000 0.000 0.210 220 L C 2.279 179.062 176.870 -0.145 0.000 1.081 220 L CA 1.620 56.373 54.840 -0.145 0.000 0.752 220 L CB -0.473 41.486 42.059 -0.168 0.000 0.896 220 L HN 0.358 nan 8.230 nan 0.000 0.433 221 T N -1.088 113.393 114.554 -0.123 0.000 2.777 221 T HA -0.156 4.194 4.350 0.000 0.000 0.266 221 T C 1.324 175.968 174.700 -0.093 0.000 1.040 221 T CA 1.444 63.481 62.100 -0.105 0.000 1.141 221 T CB -0.177 68.642 68.868 -0.083 0.000 0.868 221 T HN 0.304 nan 8.240 nan 0.000 0.444 222 D N 1.216 121.558 120.400 -0.097 0.000 2.269 222 D HA 0.127 4.767 4.640 0.000 0.000 0.208 222 D C 1.964 178.212 176.300 -0.086 0.000 0.963 222 D CA 0.592 54.538 54.000 -0.090 0.000 0.864 222 D CB -0.238 40.500 40.800 -0.103 0.000 0.936 222 D HN 0.407 nan 8.370 nan 0.000 0.505 223 A N 0.213 122.977 122.820 -0.095 0.000 2.218 223 A HA 0.040 4.360 4.320 0.000 0.000 0.209 223 A C 0.597 178.146 177.584 -0.059 0.000 1.168 223 A CA 0.536 52.531 52.037 -0.070 0.000 0.804 223 A CB 0.043 19.006 19.000 -0.062 0.000 0.834 223 A HN 0.050 nan 8.150 nan 0.000 0.482 224 D N -2.941 117.409 120.400 -0.083 0.000 2.870 224 D HA -0.199 4.441 4.640 0.000 0.000 0.228 224 D C 0.808 177.019 176.300 -0.149 0.000 1.147 224 D CA 1.051 55.001 54.000 -0.082 0.000 0.757 224 D CB -1.316 39.466 40.800 -0.030 0.000 1.091 224 D HN 0.498 nan 8.370 nan 0.000 0.429 225 A N -0.765 121.888 122.820 -0.278 0.000 2.095 225 A HA 0.088 4.408 4.320 0.000 0.000 0.212 225 A C 2.001 179.057 177.584 -0.879 0.000 1.162 225 A CA 1.224 52.831 52.037 -0.717 0.000 0.753 225 A CB -0.192 18.566 19.000 -0.403 0.000 0.840 225 A HN 0.318 nan 8.150 nan 0.000 0.468 226 M N 1.530 120.881 119.600 -0.416 0.000 2.144 226 M HA -0.209 4.271 4.480 0.000 0.000 0.260 226 M C 2.009 178.170 176.300 -0.231 0.000 1.067 226 M CA 2.242 57.377 55.300 -0.276 0.000 1.095 226 M CB -0.610 31.895 32.600 -0.158 0.000 1.365 226 M HN 0.541 nan 8.290 nan 0.000 0.406 227 K N -0.477 119.802 120.400 -0.201 0.000 2.218 227 K HA -0.216 4.104 4.320 0.000 0.000 0.205 227 K C 0.873 177.509 176.600 0.060 0.000 1.046 227 K CA 2.038 58.296 56.287 -0.048 0.000 0.933 227 K CB -0.952 31.561 32.500 0.021 0.000 0.728 227 K HN 0.645 nan 8.250 nan 0.000 0.454 228 Y N -0.444 119.905 120.300 0.081 0.000 2.660 228 Y HA 0.460 5.010 4.550 0.000 0.000 0.254 228 Y C -0.624 175.343 175.900 0.111 0.000 1.176 228 Y CA -1.068 57.122 58.100 0.150 0.000 1.195 228 Y CB 0.018 38.578 38.460 0.166 0.000 1.190 228 Y HN -0.193 nan 8.280 nan 0.000 0.535 229 T N 2.546 117.098 114.554 -0.005 0.000 2.841 229 T HA 0.609 4.959 4.350 0.000 0.000 0.283 229 T C -0.505 174.215 174.700 0.032 0.000 1.000 229 T CA -0.450 61.660 62.100 0.017 0.000 0.977 229 T CB 1.992 70.805 68.868 -0.092 0.000 0.979 229 T HN 0.138 nan 8.240 nan 0.000 0.446 230 I N 2.090 122.699 120.570 0.066 0.000 2.377 230 I HA 0.473 4.644 4.170 0.000 0.000 0.293 230 I C -0.476 175.682 176.117 0.068 0.000 0.987 230 I CA -1.073 60.264 61.300 0.063 0.000 1.185 230 I CB 1.658 39.709 38.000 0.085 0.000 1.341 230 I HN 0.239 nan 8.210 nan 0.000 0.455 231 V N 7.201 127.151 119.914 0.061 0.000 2.334 231 V HA 0.286 4.406 4.120 0.000 0.000 0.281 231 V C 0.101 176.233 176.094 0.064 0.000 1.016 231 V CA -0.620 61.739 62.300 0.097 0.000 0.832 231 V CB 1.580 33.462 31.823 0.098 0.000 0.999 231 V HN 0.418 nan 8.190 nan 0.000 0.439 232 V N 4.066 124.007 119.914 0.045 0.000 2.567 232 V HA 0.593 4.713 4.120 0.000 0.000 0.289 232 V C 0.340 176.447 176.094 0.022 0.000 1.049 232 V CA -0.071 62.239 62.300 0.018 0.000 0.969 232 V CB 1.766 33.586 31.823 -0.006 0.000 0.995 232 V HN 0.830 nan 8.190 nan 0.000 0.471 233 S N 3.126 118.841 115.700 0.025 0.000 2.736 233 S HA 0.734 5.204 4.470 0.000 0.000 0.285 233 S C -0.566 174.053 174.600 0.033 0.000 1.163 233 S CA -0.052 58.169 58.200 0.036 0.000 1.025 233 S CB 1.174 64.404 63.200 0.051 0.000 1.030 233 S HN 1.175 nan 8.310 nan 0.000 0.486 234 A N 4.221 127.062 122.820 0.035 0.000 2.709 234 A HA 0.622 4.942 4.320 0.000 0.000 0.332 234 A C 0.436 178.053 177.584 0.055 0.000 1.241 234 A CA -0.561 51.507 52.037 0.051 0.000 0.782 234 A CB 0.009 19.047 19.000 0.064 0.000 1.109 234 A HN 0.881 nan 8.150 nan 0.000 0.472 235 T N -1.146 113.440 114.554 0.054 0.000 2.729 235 T HA 0.515 4.865 4.350 0.000 0.000 0.298 235 T C 1.626 176.358 174.700 0.054 0.000 1.013 235 T CA 0.094 62.225 62.100 0.052 0.000 0.957 235 T CB 0.799 69.696 68.868 0.048 0.000 1.130 235 T HN 1.096 nan 8.240 nan 0.000 0.526 236 A N 0.620 123.470 122.820 0.050 0.000 2.032 236 A HA -0.063 4.257 4.320 0.000 0.000 0.221 236 A C 2.417 180.028 177.584 0.045 0.000 1.165 236 A CA 2.077 54.142 52.037 0.048 0.000 0.645 236 A CB -1.270 17.755 19.000 0.042 0.000 0.807 236 A HN 1.136 nan 8.150 nan 0.000 0.453 237 S N -0.887 114.838 115.700 0.042 0.000 2.540 237 S HA 0.119 4.589 4.470 0.000 0.000 0.218 237 S C -0.293 174.334 174.600 0.045 0.000 0.977 237 S CA -0.378 57.845 58.200 0.038 0.000 0.918 237 S CB -0.139 63.080 63.200 0.031 0.000 0.806 237 S HN 0.350 nan 8.310 nan 0.000 0.496 238 D N 3.174 123.607 120.400 0.056 0.000 2.351 238 D HA 0.483 5.123 4.640 0.000 0.000 0.251 238 D C 0.427 176.776 176.300 0.081 0.000 1.137 238 D CA 0.192 54.234 54.000 0.070 0.000 0.879 238 D CB 1.496 42.343 40.800 0.079 0.000 1.181 238 D HN 0.484 nan 8.370 nan 0.000 0.448 239 A N 2.163 125.033 122.820 0.083 0.000 2.587 239 A HA 0.204 4.524 4.320 0.000 0.000 0.233 239 A C 1.580 179.232 177.584 0.114 0.000 1.049 239 A CA 0.529 52.614 52.037 0.079 0.000 0.754 239 A CB 0.167 19.207 19.000 0.068 0.000 0.977 239 A HN 0.686 nan 8.150 nan 0.000 0.509 240 A N 3.894 126.768 122.820 0.090 0.000 1.896 240 A HA -0.155 4.165 4.320 0.000 0.000 0.220 240 A C 0.011 177.713 177.584 0.197 0.000 1.206 240 A CA 2.322 54.431 52.037 0.121 0.000 0.647 240 A CB -1.912 17.131 19.000 0.070 0.000 0.828 240 A HN 0.671 nan 8.150 nan 0.000 0.455 241 P HA -0.140 nan 4.420 nan 0.000 0.217 241 P C 1.383 179.035 177.300 0.586 0.000 1.148 241 P CA 0.971 64.214 63.100 0.239 0.000 0.828 241 P CB -0.134 31.495 31.700 -0.118 0.000 0.783 242 L N -1.222 120.277 121.223 0.460 0.000 2.109 242 L HA -0.136 4.204 4.340 0.000 0.000 0.207 242 L C 2.602 179.624 176.870 0.254 0.000 1.086 242 L CA 1.365 56.426 54.840 0.370 0.000 0.760 242 L CB -0.823 41.387 42.059 0.251 0.000 0.910 242 L HN -0.016 nan 8.230 nan 0.000 0.437 243 Q N -1.005 118.935 119.800 0.233 0.000 2.119 243 Q HA -0.244 4.096 4.340 0.000 0.000 0.201 243 Q C 2.071 178.199 176.000 0.214 0.000 0.972 243 Q CA 1.777 57.688 55.803 0.179 0.000 0.847 243 Q CB -0.213 28.620 28.738 0.159 0.000 0.903 243 Q HN 0.502 nan 8.270 nan 0.000 0.433 244 Y N 0.897 121.308 120.300 0.185 0.000 2.145 244 Y HA -0.240 4.310 4.550 0.000 0.000 0.286 244 Y C 1.936 177.994 175.900 0.264 0.000 1.145 244 Y CA 1.349 59.584 58.100 0.225 0.000 1.148 244 Y CB -0.218 38.406 38.460 0.275 0.000 0.981 244 Y HN 0.080 nan 8.280 nan 0.000 0.507 245 L N 0.548 121.923 121.223 0.254 0.000 2.217 245 L HA 0.046 4.386 4.340 0.000 0.000 0.211 245 L C 2.521 179.424 176.870 0.056 0.000 1.107 245 L CA 1.568 56.504 54.840 0.161 0.000 0.783 245 L CB -0.917 41.299 42.059 0.262 0.000 0.919 245 L HN 0.333 nan 8.230 nan 0.000 0.442 246 A N 0.528 123.362 122.820 0.024 0.000 1.903 246 A HA -0.179 4.141 4.320 0.000 0.000 0.219 246 A C -0.027 177.520 177.584 -0.062 0.000 1.191 246 A CA 2.162 54.191 52.037 -0.014 0.000 0.638 246 A CB -2.075 16.927 19.000 0.003 0.000 0.823 246 A HN 0.403 nan 8.150 nan 0.000 0.451 247 P HA -0.176 nan 4.420 nan 0.000 0.215 247 P C 0.882 178.051 177.300 -0.219 0.000 1.157 247 P CA 1.428 64.387 63.100 -0.236 0.000 0.874 247 P CB -0.281 30.973 31.700 -0.742 0.000 0.790 248 Y N -1.018 119.222 120.300 -0.101 0.000 2.497 248 Y HA -0.054 4.496 4.550 0.000 0.000 0.292 248 Y C 2.447 178.325 175.900 -0.037 0.000 1.137 248 Y CA 0.793 58.838 58.100 -0.091 0.000 1.285 248 Y CB -0.818 37.540 38.460 -0.171 0.000 0.991 248 Y HN -0.049 nan 8.280 nan 0.000 0.556 249 S N -0.373 115.373 115.700 0.077 0.000 2.371 249 S HA -0.054 4.416 4.470 0.000 0.000 0.221 249 S C 2.391 177.016 174.600 0.041 0.000 1.036 249 S CA 0.887 59.111 58.200 0.040 0.000 0.965 249 S CB -0.670 62.530 63.200 0.000 0.000 0.845 249 S HN 0.621 nan 8.310 nan 0.000 0.475 250 G N 0.257 109.079 108.800 0.037 0.000 2.422 250 G HA2 -0.247 3.713 3.960 0.000 0.000 0.218 250 G HA3 -0.247 3.713 3.960 0.000 0.000 0.218 250 G C 1.724 176.659 174.900 0.059 0.000 1.146 250 G CA 1.076 46.193 45.100 0.027 0.000 0.769 250 G HN 0.578 nan 8.290 nan 0.000 0.547 251 C N 0.310 119.675 119.300 0.109 0.000 2.453 251 C HA 0.029 4.489 4.460 0.000 0.000 0.277 251 C C 3.213 178.275 174.990 0.120 0.000 1.262 251 C CA 1.665 60.766 59.018 0.139 0.000 1.718 251 C CB -0.921 26.926 27.740 0.178 0.000 2.031 251 C HN 0.344 nan 8.230 nan 0.000 0.480 252 S N 0.610 116.372 115.700 0.103 0.000 2.359 252 S HA -0.211 4.259 4.470 0.000 0.000 0.224 252 S C 1.799 176.457 174.600 0.096 0.000 1.035 252 S CA 2.209 60.462 58.200 0.088 0.000 1.018 252 S CB -0.421 62.817 63.200 0.062 0.000 0.876 252 S HN 0.662 nan 8.310 nan 0.000 0.448 253 M N 0.692 120.343 119.600 0.085 0.000 2.073 253 M HA -0.135 4.345 4.480 0.000 0.000 0.258 253 M C 2.482 178.917 176.300 0.225 0.000 1.070 253 M CA 1.797 57.155 55.300 0.097 0.000 1.103 253 M CB -1.018 31.633 32.600 0.085 0.000 1.321 253 M HN 0.475 nan 8.290 nan 0.000 0.405 254 G N -0.518 108.433 108.800 0.251 0.000 2.448 254 G HA2 -0.182 3.778 3.960 0.000 0.000 0.219 254 G HA3 -0.182 3.778 3.960 0.000 0.000 0.219 254 G C 1.324 176.424 174.900 0.333 0.000 1.127 254 G CA 0.646 45.961 45.100 0.358 0.000 0.766 254 G HN 0.515 nan 8.290 nan 0.000 0.552 255 E N -0.783 119.543 120.200 0.211 0.000 2.204 255 E HA -0.115 4.235 4.350 0.000 0.000 0.194 255 E C 1.870 178.548 176.600 0.129 0.000 0.989 255 E CA 0.427 56.919 56.400 0.153 0.000 0.824 255 E CB -0.187 29.579 29.700 0.110 0.000 0.756 255 E HN 0.650 nan 8.360 nan 0.000 0.477 256 Y N 0.257 120.542 120.300 -0.024 0.000 2.165 256 Y HA -0.278 4.272 4.550 0.000 0.000 0.286 256 Y C 1.607 177.381 175.900 -0.209 0.000 1.155 256 Y CA 1.645 59.640 58.100 -0.175 0.000 1.164 256 Y CB -0.289 37.966 38.460 -0.342 0.000 0.978 256 Y HN -0.042 nan 8.280 nan 0.000 0.513 257 F N 0.206 120.185 119.950 0.048 0.000 2.146 257 F HA -0.105 4.422 4.527 0.000 0.000 0.298 257 F C 2.788 178.538 175.800 -0.084 0.000 1.096 257 F CA 1.715 59.691 58.000 -0.040 0.000 1.275 257 F CB -0.592 38.491 39.000 0.138 0.000 1.008 257 F HN -0.078 nan 8.300 nan 0.000 0.480 258 R N 0.643 121.242 120.500 0.164 0.000 2.081 258 R HA -0.165 4.175 4.340 0.000 0.000 0.235 258 R C 0.904 177.216 176.300 0.021 0.000 1.131 258 R CA 2.042 58.199 56.100 0.094 0.000 0.960 258 R CB -0.393 29.974 30.300 0.111 0.000 0.856 258 R HN 0.154 nan 8.270 nan 0.000 0.436 259 D N -0.090 120.296 120.400 -0.023 0.000 2.340 259 D HA 0.027 4.667 4.640 0.000 0.000 0.220 259 D C -0.119 176.117 176.300 -0.106 0.000 1.039 259 D CA 0.433 54.417 54.000 -0.027 0.000 0.866 259 D CB 0.212 41.008 40.800 -0.007 0.000 0.913 259 D HN 0.143 nan 8.370 nan 0.000 0.523 260 N N -0.243 118.339 118.700 -0.196 0.000 2.541 260 N HA 0.195 4.935 4.740 0.000 0.000 0.297 260 N C 0.795 176.213 175.510 -0.153 0.000 1.503 260 N CA 0.036 52.942 53.050 -0.240 0.000 0.919 260 N CB 1.222 39.412 38.487 -0.495 0.000 1.305 260 N HN 0.052 nan 8.380 nan 0.000 0.501 261 G N 0.766 109.502 108.800 -0.108 0.000 2.180 261 G HA2 -0.343 3.617 3.960 0.000 0.000 0.263 261 G HA3 -0.343 3.617 3.960 0.000 0.000 0.263 261 G C 0.333 175.120 174.900 -0.189 0.000 0.989 261 G CA 0.898 45.926 45.100 -0.120 0.000 0.692 261 G HN 0.338 nan 8.290 nan 0.000 0.526 262 K N -0.963 119.358 120.400 -0.131 0.000 2.245 262 K HA 0.721 5.042 4.320 0.000 0.000 0.234 262 K C -0.236 176.258 176.600 -0.178 0.000 1.021 262 K CA -0.799 55.456 56.287 -0.054 0.000 0.898 262 K CB 0.936 33.637 32.500 0.335 0.000 1.163 262 K HN 0.414 nan 8.250 nan 0.000 0.459 263 H N -0.425 118.736 119.070 0.152 0.000 2.589 263 H HA 0.566 5.122 4.556 0.000 0.000 0.335 263 H C -1.204 174.123 175.328 -0.003 0.000 1.019 263 H CA -0.843 55.231 56.048 0.044 0.000 1.213 263 H CB 1.858 31.588 29.762 -0.052 0.000 1.472 263 H HN 0.579 nan 8.280 nan 0.000 0.508 264 A N 3.122 126.027 122.820 0.142 0.000 2.380 264 A HA 0.639 4.959 4.320 0.000 0.000 0.315 264 A C -1.487 176.112 177.584 0.024 0.000 1.101 264 A CA -0.689 51.361 52.037 0.022 0.000 0.771 264 A CB 1.204 20.250 19.000 0.075 0.000 1.287 264 A HN 0.555 nan 8.150 nan 0.000 0.436 265 L N 2.211 123.427 121.223 -0.012 0.000 2.381 265 L HA 0.779 5.119 4.340 0.000 0.000 0.274 265 L C -1.086 175.754 176.870 -0.050 0.000 0.988 265 L CA -0.380 54.448 54.840 -0.020 0.000 0.824 265 L CB 1.312 43.364 42.059 -0.012 0.000 1.263 265 L HN 0.703 nan 8.230 nan 0.000 0.410 266 I N 5.496 125.995 120.570 -0.118 0.000 2.441 266 I HA 0.551 4.721 4.170 0.000 0.000 0.295 266 I C -1.151 174.727 176.117 -0.399 0.000 0.994 266 I CA -0.688 60.443 61.300 -0.282 0.000 1.144 266 I CB 1.232 38.993 38.000 -0.399 0.000 1.314 266 I HN 0.503 nan 8.210 nan 0.000 0.445 267 I N 7.897 128.225 120.570 -0.403 0.000 2.378 267 I HA 0.243 4.413 4.170 0.000 0.000 0.291 267 I C -1.186 174.597 176.117 -0.558 0.000 0.992 267 I CA -0.500 60.593 61.300 -0.345 0.000 1.154 267 I CB 1.041 39.006 38.000 -0.058 0.000 1.315 267 I HN 0.501 nan 8.210 nan 0.000 0.448 268 Y N 3.448 123.615 120.300 -0.222 0.000 2.491 268 Y HA 0.332 4.882 4.550 0.000 0.000 0.334 268 Y C 0.154 175.895 175.900 -0.266 0.000 0.969 268 Y CA -0.640 57.292 58.100 -0.280 0.000 1.241 268 Y CB 0.900 39.197 38.460 -0.272 0.000 1.105 268 Y HN 0.414 nan 8.280 nan 0.000 0.503 269 D N 3.876 124.136 120.400 -0.233 0.000 2.462 269 D HA 0.189 4.829 4.640 0.000 0.000 0.249 269 D C -1.309 174.932 176.300 -0.098 0.000 1.117 269 D CA -0.373 53.531 54.000 -0.160 0.000 0.900 269 D CB 0.404 41.085 40.800 -0.197 0.000 1.039 269 D HN 0.687 nan 8.370 nan 0.000 0.516 270 D N 0.518 120.892 120.400 -0.044 0.000 2.581 270 D HA 0.216 4.856 4.640 0.000 0.000 0.232 270 D C 0.863 177.128 176.300 -0.057 0.000 1.143 270 D CA -0.732 53.245 54.000 -0.039 0.000 0.881 270 D CB 1.095 41.891 40.800 -0.007 0.000 1.500 270 D HN 0.085 nan 8.370 nan 0.000 0.458 271 L N 0.414 121.564 121.223 -0.122 0.000 2.552 271 L HA -0.009 4.331 4.340 0.000 0.000 0.227 271 L C 1.813 178.682 176.870 -0.003 0.000 1.146 271 L CA 0.360 55.065 54.840 -0.225 0.000 0.858 271 L CB -0.303 41.358 42.059 -0.663 0.000 0.969 271 L HN 0.434 nan 8.230 nan 0.000 0.451 272 S N 0.121 115.840 115.700 0.031 0.000 2.368 272 S HA -0.144 4.326 4.470 0.000 0.000 0.224 272 S C 1.980 176.662 174.600 0.137 0.000 1.029 272 S CA 1.308 59.564 58.200 0.093 0.000 0.988 272 S CB 0.068 63.312 63.200 0.073 0.000 0.838 272 S HN 0.400 nan 8.310 nan 0.000 0.462 273 K N 0.778 121.239 120.400 0.102 0.000 2.116 273 K HA 0.001 4.322 4.320 0.000 0.000 0.203 273 K C 2.388 179.079 176.600 0.152 0.000 1.052 273 K CA 0.635 56.993 56.287 0.117 0.000 0.952 273 K CB -0.148 32.400 32.500 0.080 0.000 0.729 273 K HN 0.315 nan 8.250 nan 0.000 0.446 274 Q N 0.916 120.796 119.800 0.134 0.000 2.135 274 Q HA -0.174 4.166 4.340 0.000 0.000 0.204 274 Q C 2.002 178.181 176.000 0.298 0.000 0.981 274 Q CA 1.578 57.486 55.803 0.176 0.000 0.856 274 Q CB -0.071 28.709 28.738 0.070 0.000 0.902 274 Q HN 0.317 nan 8.270 nan 0.000 0.425 275 A N 0.019 123.029 122.820 0.317 0.000 1.902 275 A HA -0.139 4.181 4.320 0.000 0.000 0.217 275 A C 2.239 180.121 177.584 0.496 0.000 1.181 275 A CA 1.538 53.805 52.037 0.383 0.000 0.623 275 A CB -0.761 18.368 19.000 0.215 0.000 0.818 275 A HN 0.294 nan 8.150 nan 0.000 0.443 276 V N -0.133 120.015 119.914 0.389 0.000 2.287 276 V HA -0.278 3.842 4.120 0.000 0.000 0.248 276 V C 3.076 179.277 176.094 0.177 0.000 1.053 276 V CA 2.032 64.476 62.300 0.241 0.000 1.027 276 V CB -1.248 30.677 31.823 0.170 0.000 0.646 276 V HN 0.635 nan 8.190 nan 0.000 0.447 277 A N -0.881 122.068 122.820 0.215 0.000 1.883 277 A HA -0.297 4.023 4.320 0.000 0.000 0.217 277 A C 2.189 179.923 177.584 0.249 0.000 1.186 277 A CA 2.262 54.425 52.037 0.209 0.000 0.624 277 A CB -0.869 18.280 19.000 0.248 0.000 0.822 277 A HN 0.616 nan 8.150 nan 0.000 0.444 278 Y N 0.528 120.958 120.300 0.218 0.000 2.128 278 Y HA -0.241 4.309 4.550 0.000 0.000 0.284 278 Y C 2.503 178.464 175.900 0.102 0.000 1.154 278 Y CA 2.088 60.304 58.100 0.193 0.000 1.149 278 Y CB -0.591 38.051 38.460 0.304 0.000 0.976 278 Y HN 0.359 nan 8.280 nan 0.000 0.505 279 R N 0.178 120.703 120.500 0.042 0.000 2.096 279 R HA -0.288 4.052 4.340 0.000 0.000 0.240 279 R C 2.513 178.714 176.300 -0.165 0.000 1.139 279 R CA 2.199 58.219 56.100 -0.134 0.000 0.952 279 R CB -0.471 29.708 30.300 -0.201 0.000 0.854 279 R HN 0.604 nan 8.270 nan 0.000 0.436 280 Q N 0.094 119.842 119.800 -0.086 0.000 2.020 280 Q HA -0.238 4.103 4.340 0.000 0.000 0.202 280 Q C 2.200 178.138 176.000 -0.105 0.000 0.982 280 Q CA 2.049 57.806 55.803 -0.078 0.000 0.838 280 Q CB -0.154 28.568 28.738 -0.027 0.000 0.899 280 Q HN 0.442 nan 8.270 nan 0.000 0.423 281 M N -0.200 119.336 119.600 -0.107 0.000 2.108 281 M HA -0.208 4.272 4.480 0.000 0.000 0.261 281 M C 2.371 178.552 176.300 -0.197 0.000 1.066 281 M CA 1.867 57.081 55.300 -0.144 0.000 1.107 281 M CB -0.159 32.347 32.600 -0.157 0.000 1.356 281 M HN 0.290 nan 8.290 nan 0.000 0.406 282 S N 0.394 115.908 115.700 -0.310 0.000 2.348 282 S HA -0.127 4.343 4.470 0.000 0.000 0.221 282 S C 1.735 176.224 174.600 -0.185 0.000 1.033 282 S CA 1.345 59.356 58.200 -0.315 0.000 1.010 282 S CB -0.404 62.481 63.200 -0.525 0.000 0.891 282 S HN 0.537 nan 8.310 nan 0.000 0.442 283 L N 1.027 122.150 121.223 -0.166 0.000 2.083 283 L HA -0.097 4.243 4.340 0.000 0.000 0.209 283 L C 2.347 179.165 176.870 -0.088 0.000 1.083 283 L CA 1.025 55.797 54.840 -0.113 0.000 0.752 283 L CB -0.549 41.446 42.059 -0.107 0.000 0.899 283 L HN 0.341 nan 8.230 nan 0.000 0.433 284 L N -0.756 120.413 121.223 -0.090 0.000 2.156 284 L HA -0.169 4.171 4.340 0.000 0.000 0.208 284 L C 2.117 178.948 176.870 -0.066 0.000 1.095 284 L CA 0.800 55.598 54.840 -0.071 0.000 0.770 284 L CB -0.325 41.692 42.059 -0.069 0.000 0.914 284 L HN 0.239 nan 8.230 nan 0.000 0.439 285 L N 0.194 121.370 121.223 -0.079 0.000 2.711 285 L HA 0.004 4.344 4.340 0.000 0.000 0.242 285 L C 0.542 177.381 176.870 -0.051 0.000 1.153 285 L CA -0.000 54.801 54.840 -0.065 0.000 0.898 285 L CB -0.232 41.782 42.059 -0.076 0.000 1.044 285 L HN 0.300 nan 8.230 nan 0.000 0.437 286 R N -0.038 120.430 120.500 -0.053 0.000 3.770 286 R HA -0.170 4.170 4.340 0.000 0.000 0.305 286 R C -0.237 176.041 176.300 -0.038 0.000 1.184 286 R CA 0.627 56.703 56.100 -0.041 0.000 0.823 286 R CB -2.208 28.075 30.300 -0.029 0.000 1.285 286 R HN 0.417 nan 8.270 nan 0.000 0.499 287 R N 1.381 121.851 120.500 -0.050 0.000 2.196 287 R HA 0.240 4.580 4.340 0.000 0.000 0.340 287 R C -2.014 174.262 176.300 -0.039 0.000 1.043 287 R CA -1.751 54.325 56.100 -0.040 0.000 0.883 287 R CB 0.704 30.974 30.300 -0.049 0.000 1.078 287 R HN -0.139 nan 8.270 nan 0.000 0.462 288 P HA -0.059 nan 4.420 nan 0.000 0.261 288 P C -2.170 175.120 177.300 -0.017 0.000 1.165 288 P CA -0.519 62.569 63.100 -0.019 0.000 0.759 288 P CB -0.012 31.683 31.700 -0.009 0.000 0.772 289 P HA 0.116 nan 4.420 nan 0.000 0.269 289 P C 0.322 177.629 177.300 0.012 0.000 1.209 289 P CA 0.201 63.293 63.100 -0.014 0.000 0.776 289 P CB 0.852 32.535 31.700 -0.028 0.000 0.876 290 G N 1.735 110.562 108.800 0.045 0.000 3.008 290 G HA2 0.356 4.316 3.960 0.000 0.000 0.181 290 G HA3 0.356 4.316 3.960 0.000 0.000 0.181 290 G C -0.513 174.425 174.900 0.063 0.000 1.309 290 G CA -0.902 44.233 45.100 0.057 0.000 1.009 290 G HN 0.528 nan 8.290 nan 0.000 0.584 291 R N 0.276 120.806 120.500 0.050 0.000 2.537 291 R HA 0.096 4.436 4.340 0.000 0.000 0.281 291 R C 0.250 176.630 176.300 0.134 0.000 0.988 291 R CA 0.948 57.031 56.100 -0.030 0.000 1.077 291 R CB -0.209 29.896 30.300 -0.324 0.000 0.932 291 R HN 0.711 nan 8.270 nan 0.000 0.409 292 E N 2.544 122.799 120.200 0.092 0.000 2.805 292 E HA -0.365 3.985 4.350 0.000 0.000 0.266 292 E C 0.330 177.005 176.600 0.124 0.000 1.092 292 E CA 0.587 57.094 56.400 0.177 0.000 0.781 292 E CB -0.954 28.955 29.700 0.348 0.000 1.379 292 E HN 0.882 nan 8.360 nan 0.000 0.433 293 A N -2.928 119.924 122.820 0.053 0.000 3.737 293 A HA -0.302 4.019 4.320 0.000 0.000 0.260 293 A C 0.209 177.738 177.584 -0.092 0.000 1.021 293 A CA 1.470 53.473 52.037 -0.057 0.000 1.356 293 A CB -1.809 17.110 19.000 -0.134 0.000 1.043 293 A HN 0.395 nan 8.150 nan 0.000 0.877 294 Y N 0.496 120.838 120.300 0.069 0.000 2.357 294 Y HA 0.429 4.979 4.550 0.000 0.000 0.340 294 Y C -1.630 174.305 175.900 0.058 0.000 1.260 294 Y CA -1.076 57.071 58.100 0.077 0.000 1.425 294 Y CB 0.052 38.606 38.460 0.158 0.000 1.326 294 Y HN 0.176 nan 8.280 nan 0.000 0.580 295 P HA 0.024 nan 4.420 nan 0.000 0.272 295 P C 0.648 178.078 177.300 0.215 0.000 1.223 295 P CA 0.228 63.400 63.100 0.119 0.000 0.784 295 P CB 0.698 32.408 31.700 0.018 0.000 0.923 296 G N 1.782 110.681 108.800 0.165 0.000 2.499 296 G HA2 -0.228 3.732 3.960 0.000 0.000 0.221 296 G HA3 -0.228 3.732 3.960 0.000 0.000 0.221 296 G C 0.588 175.621 174.900 0.223 0.000 1.109 296 G CA 0.766 45.968 45.100 0.171 0.000 0.749 296 G HN 0.647 nan 8.290 nan 0.000 0.568 297 D N 0.611 121.177 120.400 0.277 0.000 2.525 297 D HA 0.040 4.680 4.640 0.000 0.000 0.229 297 D C 2.027 178.524 176.300 0.329 0.000 1.202 297 D CA 0.240 54.436 54.000 0.327 0.000 0.828 297 D CB -0.272 40.742 40.800 0.357 0.000 1.008 297 D HN 0.261 nan 8.370 nan 0.000 0.493 298 V N -1.993 118.090 119.914 0.282 0.000 2.688 298 V HA -0.181 3.939 4.120 0.000 0.000 0.256 298 V C 2.169 178.226 176.094 -0.062 0.000 1.084 298 V CA 1.094 63.455 62.300 0.101 0.000 1.103 298 V CB -1.499 30.317 31.823 -0.011 0.000 0.688 298 V HN 0.188 nan 8.190 nan 0.000 0.480 299 F N 0.716 120.638 119.950 -0.047 0.000 2.128 299 F HA -0.079 4.448 4.527 0.000 0.000 0.295 299 F C 2.333 178.157 175.800 0.041 0.000 1.100 299 F CA 1.612 59.585 58.000 -0.045 0.000 1.260 299 F CB -0.506 38.501 39.000 0.011 0.000 1.009 299 F HN 0.152 nan 8.300 nan 0.000 0.476 300 Y N 0.849 121.144 120.300 -0.009 0.000 2.256 300 Y HA -0.201 4.349 4.550 0.000 0.000 0.288 300 Y C 2.108 177.903 175.900 -0.175 0.000 1.155 300 Y CA 1.500 59.538 58.100 -0.103 0.000 1.203 300 Y CB -0.898 37.604 38.460 0.070 0.000 0.980 300 Y HN 0.260 nan 8.280 nan 0.000 0.530 301 L N -0.196 120.885 121.223 -0.237 0.000 1.990 301 L HA -0.289 4.051 4.340 0.000 0.000 0.213 301 L C 2.324 179.076 176.870 -0.197 0.000 1.072 301 L CA 2.465 57.109 54.840 -0.326 0.000 0.755 301 L CB -0.817 40.996 42.059 -0.410 0.000 0.889 301 L HN 0.359 nan 8.230 nan 0.000 0.432 302 H N -2.104 116.782 119.070 -0.307 0.000 2.482 302 H HA -0.013 4.543 4.556 0.000 0.000 0.286 302 H C 2.350 177.450 175.328 -0.381 0.000 1.017 302 H CA 0.666 56.504 56.048 -0.351 0.000 1.322 302 H CB 0.124 29.697 29.762 -0.315 0.000 1.426 302 H HN 0.531 nan 8.280 nan 0.000 0.546 303 S N 1.217 116.685 115.700 -0.386 0.000 2.355 303 S HA -0.196 4.274 4.470 0.000 0.000 0.222 303 S C 2.077 176.550 174.600 -0.213 0.000 1.031 303 S CA 0.782 58.735 58.200 -0.411 0.000 0.993 303 S CB -0.162 62.585 63.200 -0.755 0.000 0.859 303 S HN 0.260 nan 8.310 nan 0.000 0.453 304 R N 0.479 120.834 120.500 -0.241 0.000 2.133 304 R HA -0.139 4.201 4.340 0.000 0.000 0.245 304 R C 2.456 178.701 176.300 -0.092 0.000 1.137 304 R CA 1.998 57.978 56.100 -0.200 0.000 0.947 304 R CB -0.679 29.383 30.300 -0.397 0.000 0.865 304 R HN 0.559 nan 8.270 nan 0.000 0.437 305 L N 0.069 121.238 121.223 -0.089 0.000 2.068 305 L HA -0.034 4.306 4.340 0.000 0.000 0.204 305 L C 1.769 178.568 176.870 -0.118 0.000 1.076 305 L CA 1.584 56.362 54.840 -0.102 0.000 0.753 305 L CB -0.110 41.739 42.059 -0.350 0.000 0.910 305 L HN 0.156 nan 8.230 nan 0.000 0.439 306 L N -0.712 120.421 121.223 -0.149 0.000 2.341 306 L HA 0.005 4.345 4.340 0.000 0.000 0.214 306 L C 2.360 179.211 176.870 -0.032 0.000 1.115 306 L CA 0.397 55.187 54.840 -0.083 0.000 0.820 306 L CB -0.588 41.404 42.059 -0.112 0.000 0.944 306 L HN 0.247 nan 8.230 nan 0.000 0.452 307 E N 0.604 120.780 120.200 -0.041 0.000 2.338 307 E HA -0.142 4.208 4.350 0.000 0.000 0.197 307 E C 1.940 178.540 176.600 -0.000 0.000 1.007 307 E CA 0.637 57.028 56.400 -0.015 0.000 0.849 307 E CB 0.099 29.792 29.700 -0.012 0.000 0.774 307 E HN 0.450 nan 8.360 nan 0.000 0.506 308 R N 0.092 120.597 120.500 0.008 0.000 2.299 308 R HA 0.107 4.447 4.340 0.000 0.000 0.197 308 R C 0.569 176.895 176.300 0.043 0.000 0.971 308 R CA 0.146 56.263 56.100 0.028 0.000 1.030 308 R CB 0.344 30.671 30.300 0.044 0.000 0.932 308 R HN -0.097 nan 8.270 nan 0.000 0.477 309 A N 1.049 123.896 122.820 0.044 0.000 2.309 309 A HA 0.684 5.004 4.320 0.000 0.000 0.290 309 A C -0.432 177.170 177.584 0.030 0.000 1.206 309 A CA -0.195 51.872 52.037 0.050 0.000 0.850 309 A CB 0.623 19.658 19.000 0.060 0.000 1.118 309 A HN 0.250 nan 8.150 nan 0.000 0.523 310 A N 2.457 125.296 122.820 0.031 0.000 2.612 310 A HA 0.733 5.053 4.320 0.000 0.000 0.293 310 A C -0.848 176.751 177.584 0.026 0.000 1.075 310 A CA -0.765 51.281 52.037 0.015 0.000 0.680 310 A CB 1.161 20.158 19.000 -0.004 0.000 1.279 310 A HN 0.812 nan 8.150 nan 0.000 0.411 311 K N 1.408 121.816 120.400 0.014 0.000 2.213 311 K HA 0.652 4.972 4.320 0.000 0.000 0.270 311 K C -0.704 175.904 176.600 0.014 0.000 1.002 311 K CA -0.281 56.024 56.287 0.029 0.000 0.868 311 K CB 0.636 33.147 32.500 0.018 0.000 1.093 311 K HN 0.595 nan 8.250 nan 0.000 0.454 312 M N 3.665 123.289 119.600 0.039 0.000 2.318 312 M HA 0.240 4.720 4.480 0.000 0.000 0.347 312 M C 0.434 176.772 176.300 0.064 0.000 1.175 312 M CA -0.506 54.811 55.300 0.028 0.000 1.075 312 M CB 0.833 33.475 32.600 0.069 0.000 1.614 312 M HN 0.807 nan 8.290 nan 0.000 0.456 313 N N 1.316 120.058 118.700 0.070 0.000 2.294 313 N HA 0.054 4.794 4.740 0.000 0.000 0.248 313 N C -0.355 175.236 175.510 0.134 0.000 1.300 313 N CA -0.620 52.489 53.050 0.098 0.000 0.925 313 N CB 0.937 39.482 38.487 0.097 0.000 1.188 313 N HN 0.405 nan 8.380 nan 0.000 0.512 314 D N -0.282 120.178 120.400 0.099 0.000 2.224 314 D HA -0.030 4.610 4.640 0.000 0.000 0.205 314 D C 1.850 178.187 176.300 0.062 0.000 0.965 314 D CA 0.918 54.960 54.000 0.070 0.000 0.852 314 D CB -0.574 40.251 40.800 0.042 0.000 0.947 314 D HN 0.663 nan 8.370 nan 0.000 0.494 315 A N -0.286 122.585 122.820 0.086 0.000 2.067 315 A HA -0.100 4.221 4.320 0.000 0.000 0.219 315 A C 1.448 178.955 177.584 -0.127 0.000 1.158 315 A CA 0.758 52.790 52.037 -0.009 0.000 0.661 315 A CB -0.583 18.421 19.000 0.006 0.000 0.801 315 A HN 0.161 nan 8.150 nan 0.000 0.452 316 F N -1.394 118.550 119.950 -0.010 0.000 2.695 316 F HA 0.387 4.914 4.527 0.000 0.000 0.303 316 F C 1.751 177.535 175.800 -0.026 0.000 1.091 316 F CA 0.643 58.634 58.000 -0.016 0.000 1.300 316 F CB 0.653 39.649 39.000 -0.008 0.000 1.071 316 F HN 0.342 nan 8.300 nan 0.000 0.578 317 G N -0.699 108.158 108.800 0.094 0.000 2.211 317 G HA2 -0.062 3.898 3.960 0.000 0.000 0.201 317 G HA3 -0.062 3.898 3.960 0.000 0.000 0.201 317 G C 1.182 176.094 174.900 0.021 0.000 0.997 317 G CA -0.200 44.915 45.100 0.026 0.000 0.652 317 G HN 0.938 nan 8.290 nan 0.000 0.500 318 G N -0.464 108.374 108.800 0.063 0.000 2.155 318 G HA2 0.174 4.134 3.960 0.000 0.000 0.257 318 G HA3 0.174 4.134 3.960 0.000 0.000 0.257 318 G C 1.424 176.360 174.900 0.059 0.000 0.983 318 G CA 1.120 46.260 45.100 0.065 0.000 0.676 318 G HN 2.052 nan 8.290 nan 0.000 0.528 319 G N -0.564 108.239 108.800 0.005 0.000 2.651 319 G HA2 0.718 4.678 3.960 0.000 0.000 0.260 319 G HA3 0.718 4.678 3.960 0.000 0.000 0.260 319 G C 0.280 175.255 174.900 0.126 0.000 1.216 319 G CA 0.904 45.972 45.100 -0.053 0.000 0.913 319 G HN 1.869 nan 8.290 nan 0.000 0.535 320 S N -1.430 114.404 115.700 0.223 0.000 2.537 320 S HA 0.557 5.028 4.470 0.000 0.000 0.271 320 S C -1.537 173.174 174.600 0.184 0.000 1.148 320 S CA -0.807 57.531 58.200 0.229 0.000 0.868 320 S CB 1.862 65.225 63.200 0.271 0.000 1.115 320 S HN 1.084 nan 8.310 nan 0.000 0.461 321 L N 2.027 123.321 121.223 0.118 0.000 2.356 321 L HA 0.787 5.127 4.340 0.000 0.000 0.277 321 L C -0.644 176.262 176.870 0.059 0.000 0.996 321 L CA 0.262 55.161 54.840 0.099 0.000 0.822 321 L CB 1.904 44.026 42.059 0.104 0.000 1.256 321 L HN 0.927 nan 8.230 nan 0.000 0.413 322 T N 4.153 118.729 114.554 0.036 0.000 2.859 322 T HA 0.868 5.218 4.350 0.000 0.000 0.281 322 T C -0.556 174.147 174.700 0.005 0.000 1.005 322 T CA -0.280 61.828 62.100 0.014 0.000 1.025 322 T CB 1.525 70.389 68.868 -0.007 0.000 0.977 322 T HN 0.816 nan 8.240 nan 0.000 0.458 323 A N 2.953 125.785 122.820 0.019 0.000 2.355 323 A HA 0.786 5.106 4.320 0.000 0.000 0.317 323 A C -0.765 176.835 177.584 0.027 0.000 1.094 323 A CA -0.735 51.319 52.037 0.029 0.000 0.764 323 A CB 0.716 19.802 19.000 0.143 0.000 1.230 323 A HN 0.836 nan 8.150 nan 0.000 0.448 324 L N 4.132 125.355 121.223 -0.001 0.000 2.445 324 L HA 0.332 4.672 4.340 0.000 0.000 0.252 324 L C -2.394 174.505 176.870 0.048 0.000 1.105 324 L CA -1.716 53.136 54.840 0.019 0.000 0.943 324 L CB 1.380 43.442 42.059 0.006 0.000 1.277 324 L HN 0.483 nan 8.230 nan 0.000 0.465 325 P HA 0.130 nan 4.420 nan 0.000 0.271 325 P C -0.454 176.857 177.300 0.018 0.000 1.216 325 P CA -0.097 63.056 63.100 0.088 0.000 0.776 325 P CB 2.033 33.721 31.700 -0.021 0.000 0.881 326 V N 4.539 124.452 119.914 -0.002 0.000 2.513 326 V HA 0.434 4.554 4.120 0.000 0.000 0.299 326 V C 0.413 176.497 176.094 -0.016 0.000 1.035 326 V CA -0.584 61.717 62.300 0.001 0.000 0.889 326 V CB 1.680 33.508 31.823 0.008 0.000 0.988 326 V HN 0.431 nan 8.190 nan 0.000 0.440 327 I N 3.125 123.701 120.570 0.009 0.000 2.533 327 I HA 0.424 4.594 4.170 0.000 0.000 0.290 327 I C -0.124 176.019 176.117 0.044 0.000 1.056 327 I CA -0.411 60.900 61.300 0.019 0.000 1.057 327 I CB 2.256 40.268 38.000 0.019 0.000 1.240 327 I HN 0.707 nan 8.210 nan 0.000 0.423 328 E N 4.566 124.794 120.200 0.046 0.000 2.115 328 E HA 0.309 4.659 4.350 0.000 0.000 0.282 328 E C -0.402 176.240 176.600 0.071 0.000 0.987 328 E CA -0.358 56.073 56.400 0.052 0.000 0.797 328 E CB 1.147 30.873 29.700 0.045 0.000 1.086 328 E HN 0.662 nan 8.360 nan 0.000 0.397 329 T N 1.974 116.582 114.554 0.091 0.000 2.849 329 T HA 0.256 4.606 4.350 0.000 0.000 0.284 329 T C 0.063 174.816 174.700 0.089 0.000 1.004 329 T CA -0.987 61.179 62.100 0.110 0.000 1.021 329 T CB 1.319 70.297 68.868 0.183 0.000 1.013 329 T HN 0.273 nan 8.240 nan 0.000 0.527 330 Q N 0.443 120.298 119.800 0.091 0.000 2.325 330 Q HA 0.549 4.889 4.340 0.000 0.000 0.262 330 Q C 0.541 176.590 176.000 0.082 0.000 0.968 330 Q CA -0.000 55.850 55.803 0.079 0.000 0.877 330 Q CB 1.011 29.797 28.738 0.080 0.000 1.253 330 Q HN 1.170 nan 8.270 nan 0.000 0.448 331 A N 2.428 125.291 122.820 0.072 0.000 2.832 331 A HA -0.138 4.182 4.320 0.000 0.000 0.280 331 A C 1.043 178.685 177.584 0.096 0.000 1.464 331 A CA 1.300 53.381 52.037 0.073 0.000 0.804 331 A CB -2.166 16.874 19.000 0.067 0.000 1.020 331 A HN 1.605 nan 8.150 nan 0.000 0.563 332 G N -1.141 107.731 108.800 0.120 0.000 2.273 332 G HA2 -0.111 3.849 3.960 0.000 0.000 0.280 332 G HA3 -0.111 3.849 3.960 0.000 0.000 0.280 332 G C -0.199 174.850 174.900 0.249 0.000 1.047 332 G CA 1.126 46.347 45.100 0.202 0.000 0.869 332 G HN 1.841 nan 8.290 nan 0.000 0.502 333 D N -0.063 120.438 120.400 0.169 0.000 2.485 333 D HA 0.461 5.101 4.640 0.000 0.000 0.229 333 D C 1.640 177.967 176.300 0.046 0.000 1.101 333 D CA -0.008 54.050 54.000 0.098 0.000 0.906 333 D CB 0.729 41.575 40.800 0.076 0.000 1.019 333 D HN 0.294 nan 8.370 nan 0.000 0.516 334 V N 1.375 121.247 119.914 -0.070 0.000 2.809 334 V HA -0.072 4.048 4.120 0.000 0.000 0.256 334 V C 1.917 177.940 176.094 -0.119 0.000 1.080 334 V CA 0.818 62.991 62.300 -0.212 0.000 1.102 334 V CB -0.567 30.882 31.823 -0.623 0.000 0.705 334 V HN 0.358 nan 8.190 nan 0.000 0.475 335 S N 0.415 116.074 115.700 -0.068 0.000 2.607 335 S HA 0.414 4.884 4.470 0.000 0.000 0.224 335 S C 1.151 175.761 174.600 0.017 0.000 0.969 335 S CA 0.427 58.609 58.200 -0.028 0.000 0.927 335 S CB -0.495 62.696 63.200 -0.015 0.000 0.772 335 S HN 0.773 nan 8.310 nan 0.000 0.533 336 A N 0.388 123.225 122.820 0.028 0.000 2.386 336 A HA 0.344 4.665 4.320 0.000 0.000 0.248 336 A C 0.852 178.494 177.584 0.096 0.000 1.082 336 A CA -0.322 51.759 52.037 0.074 0.000 0.789 336 A CB -0.085 18.960 19.000 0.075 0.000 1.025 336 A HN 0.434 nan 8.150 nan 0.000 0.490 337 Y N 2.071 122.377 120.300 0.009 0.000 2.114 337 Y HA -0.246 4.304 4.550 0.000 0.000 0.282 337 Y C 1.525 177.420 175.900 -0.009 0.000 1.165 337 Y CA 2.514 60.615 58.100 0.002 0.000 1.148 337 Y CB -0.390 38.076 38.460 0.011 0.000 0.972 337 Y HN 0.530 nan 8.280 nan 0.000 0.504 338 I N 0.339 120.750 120.570 -0.265 0.000 2.193 338 I HA -0.131 4.039 4.170 0.000 0.000 0.240 338 I C -0.627 175.383 176.117 -0.178 0.000 1.084 338 I CA 1.100 62.172 61.300 -0.380 0.000 1.365 338 I CB -1.767 36.041 38.000 -0.321 0.000 1.064 338 I HN 0.109 nan 8.210 nan 0.000 0.410 339 P HA -0.223 nan 4.420 nan 0.000 0.217 339 P C 1.660 178.935 177.300 -0.041 0.000 1.158 339 P CA 2.491 65.571 63.100 -0.033 0.000 0.887 339 P CB -0.485 31.209 31.700 -0.009 0.000 0.792 340 T N -4.381 110.146 114.554 -0.044 0.000 2.915 340 T HA -0.106 4.244 4.350 0.000 0.000 0.269 340 T C 1.647 176.343 174.700 -0.007 0.000 1.071 340 T CA 1.275 63.361 62.100 -0.023 0.000 1.132 340 T CB -1.243 67.625 68.868 0.000 0.000 0.878 340 T HN 0.217 nan 8.240 nan 0.000 0.479 341 N N 0.878 119.548 118.700 -0.051 0.000 2.084 341 N HA -0.080 4.660 4.740 0.000 0.000 0.190 341 N C 1.792 177.371 175.510 0.115 0.000 1.030 341 N CA 1.358 54.433 53.050 0.041 0.000 0.849 341 N CB -0.199 38.231 38.487 -0.095 0.000 1.012 341 N HN 0.256 nan 8.380 nan 0.000 0.423 342 V N 1.434 121.370 119.914 0.037 0.000 2.407 342 V HA -0.133 3.988 4.120 0.000 0.000 0.245 342 V C 2.120 178.230 176.094 0.027 0.000 1.041 342 V CA 1.117 63.436 62.300 0.031 0.000 1.040 342 V CB -0.400 31.430 31.823 0.011 0.000 0.671 342 V HN 0.255 nan 8.190 nan 0.000 0.455 343 I N 1.595 122.177 120.570 0.019 0.000 2.315 343 I HA -0.259 3.911 4.170 0.000 0.000 0.251 343 I C 2.493 178.632 176.117 0.036 0.000 1.125 343 I CA 1.988 63.297 61.300 0.014 0.000 1.392 343 I CB -0.328 37.666 38.000 -0.011 0.000 1.065 343 I HN 0.483 nan 8.210 nan 0.000 0.424 344 S N -0.250 115.491 115.700 0.069 0.000 2.607 344 S HA 0.086 4.556 4.470 0.000 0.000 0.224 344 S C 1.565 176.256 174.600 0.150 0.000 0.969 344 S CA 0.359 58.624 58.200 0.107 0.000 0.927 344 S CB -0.305 62.975 63.200 0.132 0.000 0.772 344 S HN 0.447 nan 8.310 nan 0.000 0.533 345 I N 1.432 122.064 120.570 0.103 0.000 3.194 345 I HA 0.066 4.236 4.170 0.000 0.000 0.271 345 I C 1.559 177.691 176.117 0.024 0.000 1.150 345 I CA 0.590 61.923 61.300 0.056 0.000 1.440 345 I CB -0.365 37.610 38.000 -0.041 0.000 1.276 345 I HN 0.342 nan 8.210 nan 0.000 0.457 346 T N -1.218 113.343 114.554 0.013 0.000 2.667 346 T HA 0.009 4.359 4.350 0.000 0.000 0.305 346 T C 0.267 174.977 174.700 0.017 0.000 1.022 346 T CA -0.233 61.872 62.100 0.009 0.000 0.995 346 T CB 0.379 69.251 68.868 0.007 0.000 1.026 346 T HN 0.063 nan 8.240 nan 0.000 0.527 347 D N 0.916 121.325 120.400 0.015 0.000 3.072 347 D HA 0.444 5.084 4.640 0.000 0.000 0.250 347 D C 0.928 177.238 176.300 0.015 0.000 1.304 347 D CA 0.339 54.348 54.000 0.014 0.000 0.861 347 D CB -0.364 40.442 40.800 0.011 0.000 1.062 347 D HN 1.011 nan 8.370 nan 0.000 0.481 348 G N 1.351 110.162 108.800 0.017 0.000 2.371 348 G HA2 0.062 4.022 3.960 0.000 0.000 0.663 348 G HA3 0.062 4.022 3.960 0.000 0.000 0.663 348 G C -1.595 173.321 174.900 0.027 0.000 1.311 348 G CA -0.996 44.116 45.100 0.020 0.000 0.985 348 G HN 0.170 nan 8.290 nan 0.000 0.566 349 Q N -0.661 119.161 119.800 0.037 0.000 2.309 349 Q HA 0.641 4.981 4.340 0.000 0.000 0.273 349 Q C -1.446 174.605 176.000 0.085 0.000 1.040 349 Q CA -0.898 54.940 55.803 0.059 0.000 0.834 349 Q CB 1.938 30.710 28.738 0.056 0.000 1.345 349 Q HN 0.838 nan 8.270 nan 0.000 0.414 350 I N 2.860 123.487 120.570 0.095 0.000 2.315 350 I HA 0.368 4.538 4.170 0.000 0.000 0.291 350 I C -0.730 175.494 176.117 0.179 0.000 1.006 350 I CA -0.630 60.734 61.300 0.107 0.000 1.265 350 I CB 0.667 38.706 38.000 0.064 0.000 1.387 350 I HN 0.509 nan 8.210 nan 0.000 0.475 351 F N 7.909 127.868 119.950 0.015 0.000 2.444 351 F HA 0.664 5.191 4.527 0.000 0.000 0.342 351 F C -1.058 174.753 175.800 0.019 0.000 1.121 351 F CA -0.802 57.207 58.000 0.015 0.000 0.997 351 F CB 0.950 39.959 39.000 0.016 0.000 1.130 351 F HN 0.165 nan 8.300 nan 0.000 0.454 352 L N 5.189 126.025 121.223 -0.645 0.000 2.334 352 L HA 0.586 4.926 4.340 0.000 0.000 0.273 352 L C -0.769 175.646 176.870 -0.758 0.000 1.013 352 L CA -0.736 53.799 54.840 -0.507 0.000 0.816 352 L CB 1.982 43.894 42.059 -0.246 0.000 1.278 352 L HN 0.529 nan 8.230 nan 0.000 0.431 353 E N -0.043 119.911 120.200 -0.411 0.000 2.246 353 E HA 0.133 4.483 4.350 0.000 0.000 0.266 353 E C 0.090 176.610 176.600 -0.134 0.000 0.880 353 E CA -0.279 55.946 56.400 -0.293 0.000 0.762 353 E CB 2.505 32.103 29.700 -0.170 0.000 1.180 353 E HN 0.699 nan 8.360 nan 0.000 0.416 354 T N 0.927 115.403 114.554 -0.129 0.000 2.833 354 T HA -0.215 4.135 4.350 0.000 0.000 0.269 354 T C 1.443 176.151 174.700 0.014 0.000 1.054 354 T CA 1.907 63.927 62.100 -0.133 0.000 1.135 354 T CB 0.098 68.915 68.868 -0.085 0.000 0.869 354 T HN 0.550 nan 8.240 nan 0.000 0.466 355 E N 0.075 120.320 120.200 0.074 0.000 2.051 355 E HA -0.102 4.248 4.350 0.000 0.000 0.192 355 E C 2.287 178.951 176.600 0.106 0.000 0.991 355 E CA 1.277 57.753 56.400 0.126 0.000 0.799 355 E CB -0.283 29.471 29.700 0.091 0.000 0.748 355 E HN 0.606 nan 8.360 nan 0.000 0.449 356 L N 0.016 121.272 121.223 0.055 0.000 2.046 356 L HA -0.140 4.200 4.340 0.000 0.000 0.208 356 L C 2.502 179.388 176.870 0.027 0.000 1.077 356 L CA 1.035 55.897 54.840 0.037 0.000 0.747 356 L CB -0.495 41.572 42.059 0.013 0.000 0.896 356 L HN 0.201 nan 8.230 nan 0.000 0.432 357 F N -0.094 119.763 119.950 -0.155 0.000 2.091 357 F HA -0.322 4.205 4.527 0.000 0.000 0.299 357 F C 2.213 177.902 175.800 -0.185 0.000 1.103 357 F CA 1.769 59.622 58.000 -0.244 0.000 1.228 357 F CB -0.286 38.445 39.000 -0.448 0.000 0.984 357 F HN -0.025 nan 8.300 nan 0.000 0.477 358 Y N -0.699 119.718 120.300 0.195 0.000 2.519 358 Y HA -0.026 4.524 4.550 0.000 0.000 0.287 358 Y C 2.064 177.977 175.900 0.021 0.000 1.128 358 Y CA 0.314 58.481 58.100 0.113 0.000 1.282 358 Y CB -0.126 38.417 38.460 0.138 0.000 1.027 358 Y HN -0.052 nan 8.280 nan 0.000 0.551 359 K N -0.603 119.878 120.400 0.135 0.000 2.418 359 K HA 0.085 4.405 4.320 0.000 0.000 0.195 359 K C 1.419 178.029 176.600 0.016 0.000 1.035 359 K CA 0.756 57.086 56.287 0.071 0.000 1.003 359 K CB 0.224 32.761 32.500 0.060 0.000 0.793 359 K HN 0.427 nan 8.250 nan 0.000 0.494 360 G N 0.805 109.578 108.800 -0.045 0.000 2.253 360 G HA2 -0.171 3.789 3.960 0.000 0.000 0.209 360 G HA3 -0.171 3.789 3.960 0.000 0.000 0.209 360 G C 0.069 174.899 174.900 -0.116 0.000 0.997 360 G CA -0.443 44.602 45.100 -0.091 0.000 0.640 360 G HN 0.093 nan 8.290 nan 0.000 0.496 361 I N 2.475 122.995 120.570 -0.083 0.000 2.573 361 I HA 0.277 4.447 4.170 0.000 0.000 0.295 361 I C 0.707 176.747 176.117 -0.128 0.000 1.141 361 I CA 0.764 62.023 61.300 -0.068 0.000 1.364 361 I CB -0.852 37.138 38.000 -0.017 0.000 1.447 361 I HN 0.178 nan 8.210 nan 0.000 0.571 362 R N 7.545 127.958 120.500 -0.146 0.000 2.514 362 R HA 0.395 4.735 4.340 0.000 0.000 0.296 362 R C -2.538 173.703 176.300 -0.099 0.000 1.012 362 R CA -1.621 54.370 56.100 -0.181 0.000 0.897 362 R CB 2.797 32.902 30.300 -0.325 0.000 1.184 362 R HN 0.263 nan 8.270 nan 0.000 0.440 363 P HA -0.020 nan 4.420 nan 0.000 0.267 363 P C -0.296 176.992 177.300 -0.019 0.000 1.200 363 P CA -0.072 63.010 63.100 -0.030 0.000 0.772 363 P CB 0.759 32.450 31.700 -0.014 0.000 0.855 364 A N 4.008 126.842 122.820 0.024 0.000 2.958 364 A HA 0.180 4.500 4.320 0.000 0.000 0.247 364 A C 0.705 178.273 177.584 -0.026 0.000 1.679 364 A CA -0.312 51.733 52.037 0.014 0.000 1.345 364 A CB -1.570 17.487 19.000 0.096 0.000 1.013 364 A HN 0.463 nan 8.150 nan 0.000 0.641 365 I N 1.412 121.978 120.570 -0.008 0.000 2.396 365 I HA 0.020 4.190 4.170 0.000 0.000 0.289 365 I C 0.565 176.704 176.117 0.037 0.000 1.056 365 I CA -0.304 61.002 61.300 0.010 0.000 1.365 365 I CB 0.561 38.578 38.000 0.027 0.000 1.407 365 I HN 0.379 nan 8.210 nan 0.000 0.509 366 N N 6.500 125.240 118.700 0.066 0.000 2.399 366 N HA 0.050 4.790 4.740 0.000 0.000 0.259 366 N C 0.775 176.364 175.510 0.132 0.000 1.160 366 N CA 0.005 53.132 53.050 0.129 0.000 0.946 366 N CB 1.407 40.051 38.487 0.262 0.000 1.156 366 N HN 0.401 nan 8.380 nan 0.000 0.489 367 V N 3.874 123.846 119.914 0.095 0.000 2.358 367 V HA -0.102 4.018 4.120 0.000 0.000 0.246 367 V C 2.407 178.545 176.094 0.074 0.000 1.047 367 V CA 2.035 64.383 62.300 0.080 0.000 1.035 367 V CB -0.954 30.914 31.823 0.075 0.000 0.658 367 V HN 0.738 nan 8.190 nan 0.000 0.452 368 G N 0.117 108.960 108.800 0.072 0.000 2.442 368 G HA2 -0.186 3.774 3.960 0.000 0.000 0.219 368 G HA3 -0.186 3.774 3.960 0.000 0.000 0.219 368 G C 1.484 176.411 174.900 0.046 0.000 1.141 368 G CA 0.916 46.047 45.100 0.051 0.000 0.763 368 G HN 0.516 nan 8.290 nan 0.000 0.554 369 L N 0.644 121.911 121.223 0.073 0.000 2.585 369 L HA 0.241 4.581 4.340 0.000 0.000 0.226 369 L C 0.531 177.429 176.870 0.046 0.000 1.113 369 L CA -0.142 54.716 54.840 0.031 0.000 0.876 369 L CB 0.403 42.459 42.059 -0.003 0.000 1.072 369 L HN -0.019 nan 8.230 nan 0.000 0.468 370 S N 0.645 116.400 115.700 0.092 0.000 2.480 370 S HA 0.588 5.058 4.470 0.000 0.000 0.286 370 S C -0.229 174.403 174.600 0.053 0.000 1.180 370 S CA -0.594 57.660 58.200 0.090 0.000 1.075 370 S CB 2.063 65.331 63.200 0.113 0.000 0.996 370 S HN 0.079 nan 8.310 nan 0.000 0.487 371 V N 0.254 120.192 119.914 0.040 0.000 3.078 371 V HA 0.910 5.030 4.120 0.000 0.000 0.311 371 V C -0.473 175.636 176.094 0.025 0.000 1.138 371 V CA -0.796 61.521 62.300 0.028 0.000 1.007 371 V CB 1.942 33.776 31.823 0.017 0.000 1.045 371 V HN 0.696 nan 8.190 nan 0.000 0.432 372 S N 1.360 117.072 115.700 0.020 0.000 2.454 372 S HA 0.568 5.038 4.470 0.000 0.000 0.306 372 S C 0.498 175.105 174.600 0.011 0.000 1.100 372 S CA -0.788 57.421 58.200 0.015 0.000 1.087 372 S CB 1.589 64.797 63.200 0.013 0.000 1.019 372 S HN 0.851 nan 8.310 nan 0.000 0.480 373 R N 3.149 123.655 120.500 0.010 0.000 2.317 373 R HA 0.168 4.508 4.340 0.000 0.000 0.208 373 R C 0.846 177.149 176.300 0.005 0.000 0.914 373 R CA 0.296 56.401 56.100 0.008 0.000 1.060 373 R CB 0.086 30.392 30.300 0.010 0.000 1.015 373 R HN 0.496 nan 8.270 nan 0.000 0.498 374 V N -0.294 119.622 119.914 0.003 0.000 3.085 374 V HA 0.163 4.283 4.120 0.000 0.000 0.245 374 V C 1.355 177.449 176.094 -0.001 0.000 1.114 374 V CA 0.974 63.273 62.300 -0.001 0.000 1.108 374 V CB 0.214 32.034 31.823 -0.005 0.000 0.798 374 V HN 0.600 nan 8.190 nan 0.000 0.471 375 G N 1.408 110.209 108.800 0.001 0.000 2.564 375 G HA2 -0.384 3.576 3.960 0.000 0.000 0.273 375 G HA3 -0.384 3.576 3.960 0.000 0.000 0.273 375 G C 1.146 176.045 174.900 -0.001 0.000 1.242 375 G CA 1.035 46.136 45.100 0.002 0.000 0.951 375 G HN 0.952 nan 8.290 nan 0.000 0.564 376 S N -0.000 115.699 115.700 -0.001 0.000 2.440 376 S HA 0.097 4.567 4.470 0.000 0.000 0.238 376 S C 2.630 177.226 174.600 -0.007 0.000 1.010 376 S CA 2.101 60.300 58.200 -0.002 0.000 0.972 376 S CB -0.595 62.605 63.200 -0.000 0.000 0.774 376 S HN 2.194 nan 8.310 nan 0.000 0.501 377 A N 1.508 124.323 122.820 -0.008 0.000 2.032 377 A HA 0.254 4.574 4.320 0.000 0.000 0.221 377 A C 2.272 179.844 177.584 -0.020 0.000 1.165 377 A CA 1.564 53.593 52.037 -0.012 0.000 0.645 377 A CB -1.081 17.913 19.000 -0.011 0.000 0.807 377 A HN 1.012 nan 8.150 nan 0.000 0.453 378 A N -1.337 121.471 122.820 -0.020 0.000 2.308 378 A HA 0.290 4.610 4.320 0.000 0.000 0.217 378 A C 0.815 178.382 177.584 -0.029 0.000 1.216 378 A CA -0.193 51.826 52.037 -0.030 0.000 0.864 378 A CB 0.005 18.990 19.000 -0.026 0.000 0.902 378 A HN 0.641 nan 8.150 nan 0.000 0.499 379 Q N 0.501 120.289 119.800 -0.020 0.000 2.257 379 Q HA 0.430 4.770 4.340 0.000 0.000 0.262 379 Q C -0.071 175.919 176.000 -0.017 0.000 0.997 379 Q CA -0.496 55.299 55.803 -0.014 0.000 0.873 379 Q CB 1.279 30.015 28.738 -0.003 0.000 1.312 379 Q HN 0.434 nan 8.270 nan 0.000 0.450 380 T N -1.520 113.025 114.554 -0.015 0.000 2.802 380 T HA 0.123 4.473 4.350 0.000 0.000 0.305 380 T C 0.978 175.676 174.700 -0.003 0.000 1.053 380 T CA -0.332 61.760 62.100 -0.013 0.000 1.058 380 T CB 0.793 69.656 68.868 -0.010 0.000 0.988 380 T HN 0.566 nan 8.240 nan 0.000 0.539 381 R N 0.900 121.399 120.500 -0.002 0.000 2.091 381 R HA -0.076 4.264 4.340 0.000 0.000 0.238 381 R C 2.850 179.159 176.300 0.015 0.000 1.136 381 R CA 1.465 57.568 56.100 0.005 0.000 0.959 381 R CB -0.987 29.316 30.300 0.004 0.000 0.856 381 R HN 0.838 nan 8.270 nan 0.000 0.437 382 A N 0.854 123.683 122.820 0.015 0.000 1.883 382 A HA -0.236 4.084 4.320 0.000 0.000 0.217 382 A C 2.108 179.714 177.584 0.037 0.000 1.186 382 A CA 1.686 53.739 52.037 0.027 0.000 0.624 382 A CB -0.437 18.574 19.000 0.018 0.000 0.822 382 A HN 0.226 nan 8.150 nan 0.000 0.444 383 M N -0.080 119.536 119.600 0.027 0.000 2.175 383 M HA -0.049 4.431 4.480 0.000 0.000 0.264 383 M C 1.884 178.200 176.300 0.026 0.000 1.063 383 M CA 1.977 57.294 55.300 0.029 0.000 1.119 383 M CB -0.570 32.042 32.600 0.020 0.000 1.377 383 M HN 0.459 nan 8.290 nan 0.000 0.415 384 K N -0.775 119.636 120.400 0.019 0.000 2.148 384 K HA -0.163 4.157 4.320 0.000 0.000 0.204 384 K C 1.938 178.550 176.600 0.020 0.000 1.050 384 K CA 1.305 57.601 56.287 0.015 0.000 0.942 384 K CB -0.063 32.442 32.500 0.009 0.000 0.724 384 K HN 0.503 nan 8.250 nan 0.000 0.446 385 Q N -0.077 119.741 119.800 0.030 0.000 2.224 385 Q HA -0.100 4.240 4.340 0.000 0.000 0.203 385 Q C 1.919 177.945 176.000 0.044 0.000 0.970 385 Q CA 1.447 57.274 55.803 0.040 0.000 0.865 385 Q CB 0.365 29.138 28.738 0.058 0.000 0.922 385 Q HN 0.357 nan 8.270 nan 0.000 0.445 386 V N -4.917 115.027 119.914 0.050 0.000 3.085 386 V HA 0.323 4.443 4.120 0.000 0.000 0.245 386 V C 1.577 177.681 176.094 0.016 0.000 1.114 386 V CA 0.838 63.165 62.300 0.045 0.000 1.108 386 V CB 0.123 32.002 31.823 0.093 0.000 0.798 386 V HN 0.119 nan 8.190 nan 0.000 0.471 387 A N 0.852 123.683 122.820 0.018 0.000 2.267 387 A HA 0.482 4.802 4.320 0.000 0.000 0.213 387 A C 2.115 179.701 177.584 0.003 0.000 1.192 387 A CA 0.833 52.875 52.037 0.009 0.000 0.851 387 A CB -0.736 18.273 19.000 0.015 0.000 0.881 387 A HN 0.648 nan 8.150 nan 0.000 0.494 388 G N 1.070 109.871 108.800 0.003 0.000 2.732 388 G HA2 -0.410 3.550 3.960 0.000 0.000 0.222 388 G HA3 -0.410 3.550 3.960 0.000 0.000 0.222 388 G C 1.630 176.528 174.900 -0.002 0.000 1.203 388 G CA 2.285 47.385 45.100 0.000 0.000 0.780 388 G HN 0.858 nan 8.290 nan 0.000 0.621 389 T N -2.470 112.079 114.554 -0.008 0.000 3.060 389 T HA 0.313 4.663 4.350 0.000 0.000 0.249 389 T C 2.166 176.862 174.700 -0.007 0.000 1.079 389 T CA 0.864 62.959 62.100 -0.009 0.000 1.013 389 T CB 0.112 68.970 68.868 -0.016 0.000 0.975 389 T HN 0.226 nan 8.240 nan 0.000 0.518 390 M N 1.081 120.677 119.600 -0.008 0.000 2.082 390 M HA -0.093 4.388 4.480 0.000 0.000 0.258 390 M C 2.489 178.793 176.300 0.008 0.000 1.069 390 M CA 1.705 57.000 55.300 -0.007 0.000 1.102 390 M CB -0.211 32.384 32.600 -0.008 0.000 1.336 390 M HN 0.172 nan 8.290 nan 0.000 0.404 391 K N 0.217 120.625 120.400 0.013 0.000 2.057 391 K HA -0.163 4.157 4.320 0.000 0.000 0.207 391 K C 1.762 178.379 176.600 0.028 0.000 1.049 391 K CA 1.368 57.669 56.287 0.024 0.000 0.931 391 K CB -0.187 32.325 32.500 0.021 0.000 0.714 391 K HN 0.422 nan 8.250 nan 0.000 0.440 392 L N 0.179 121.414 121.223 0.020 0.000 2.179 392 L HA -0.089 4.252 4.340 0.000 0.000 0.208 392 L C 2.410 179.296 176.870 0.028 0.000 1.096 392 L CA 0.940 55.792 54.840 0.020 0.000 0.779 392 L CB -0.401 41.664 42.059 0.010 0.000 0.922 392 L HN 0.342 nan 8.230 nan 0.000 0.443 393 E N 0.792 121.007 120.200 0.024 0.000 2.106 393 E HA -0.195 4.155 4.350 0.000 0.000 0.192 393 E C 2.333 178.979 176.600 0.077 0.000 0.984 393 E CA 0.907 57.325 56.400 0.031 0.000 0.806 393 E CB 0.100 29.800 29.700 0.001 0.000 0.750 393 E HN 0.439 nan 8.360 nan 0.000 0.458 394 L N -0.069 121.204 121.223 0.082 0.000 2.240 394 L HA -0.026 4.314 4.340 0.000 0.000 0.211 394 L C 2.421 179.396 176.870 0.174 0.000 1.106 394 L CA 0.663 55.601 54.840 0.163 0.000 0.793 394 L CB -0.167 41.962 42.059 0.116 0.000 0.927 394 L HN 0.170 nan 8.230 nan 0.000 0.446 395 A N -0.797 122.079 122.820 0.093 0.000 1.897 395 A HA -0.177 4.143 4.320 0.000 0.000 0.215 395 A C 2.240 179.847 177.584 0.038 0.000 1.181 395 A CA 1.050 53.120 52.037 0.055 0.000 0.620 395 A CB -0.276 18.745 19.000 0.035 0.000 0.821 395 A HN 0.308 nan 8.150 nan 0.000 0.443 396 Q N -1.493 118.337 119.800 0.049 0.000 2.119 396 Q HA -0.169 4.171 4.340 0.000 0.000 0.201 396 Q C 1.909 177.942 176.000 0.056 0.000 0.972 396 Q CA 1.724 57.547 55.803 0.033 0.000 0.847 396 Q CB -0.511 28.245 28.738 0.030 0.000 0.903 396 Q HN 0.891 nan 8.270 nan 0.000 0.433 397 Y N 1.484 121.779 120.300 -0.009 0.000 2.145 397 Y HA -0.181 4.369 4.550 0.000 0.000 0.286 397 Y C 2.083 177.983 175.900 -0.000 0.000 1.145 397 Y CA 1.633 59.729 58.100 -0.006 0.000 1.148 397 Y CB -0.235 38.220 38.460 -0.008 0.000 0.981 397 Y HN -0.049 nan 8.280 nan 0.000 0.507 398 R N 0.090 120.365 120.500 -0.374 0.000 2.120 398 R HA -0.184 4.156 4.340 0.000 0.000 0.234 398 R C 2.177 178.328 176.300 -0.247 0.000 1.123 398 R CA 1.525 57.361 56.100 -0.439 0.000 0.975 398 R CB -0.331 29.857 30.300 -0.187 0.000 0.866 398 R HN 0.517 nan 8.270 nan 0.000 0.446 399 E N 1.022 121.141 120.200 -0.134 0.000 2.006 399 E HA -0.138 4.212 4.350 0.000 0.000 0.192 399 E C 1.845 178.409 176.600 -0.060 0.000 0.993 399 E CA 1.619 57.971 56.400 -0.079 0.000 0.808 399 E CB -0.438 29.223 29.700 -0.067 0.000 0.764 399 E HN -0.005 nan 8.360 nan 0.000 0.449 400 V N 1.393 121.273 119.914 -0.057 0.000 2.380 400 V HA -0.310 3.810 4.120 0.000 0.000 0.251 400 V C 2.525 178.604 176.094 -0.026 0.000 1.063 400 V CA 2.038 64.345 62.300 0.011 0.000 1.055 400 V CB -1.204 30.640 31.823 0.035 0.000 0.657 400 V HN 0.536 nan 8.190 nan 0.000 0.455 401 A N -0.096 122.618 122.820 -0.176 0.000 1.877 401 A HA -0.108 4.212 4.320 0.000 0.000 0.216 401 A C 2.390 179.864 177.584 -0.183 0.000 1.186 401 A CA 2.160 54.061 52.037 -0.226 0.000 0.620 401 A CB -0.734 17.961 19.000 -0.509 0.000 0.822 401 A HN 0.595 nan 8.150 nan 0.000 0.443 402 A N -1.912 120.815 122.820 -0.155 0.000 2.016 402 A HA 0.106 4.426 4.320 0.000 0.000 0.217 402 A C 1.957 179.445 177.584 -0.159 0.000 1.162 402 A CA 1.302 53.266 52.037 -0.123 0.000 0.662 402 A CB -0.566 18.398 19.000 -0.059 0.000 0.812 402 A HN 0.610 nan 8.150 nan 0.000 0.450 403 F N 0.619 120.413 119.950 -0.259 0.000 2.259 403 F HA 0.227 4.754 4.527 0.000 0.000 0.298 403 F C 1.759 177.197 175.800 -0.603 0.000 1.088 403 F CA 0.912 58.734 58.000 -0.296 0.000 1.358 403 F CB 0.030 38.952 39.000 -0.129 0.000 1.040 403 F HN 0.167 nan 8.300 nan 0.000 0.505 404 A N 0.011 122.547 122.820 -0.474 0.000 3.003 404 A HA 0.230 4.551 4.320 0.000 0.000 0.301 404 A C 1.391 178.662 177.584 -0.522 0.000 1.280 404 A CA -0.199 51.505 52.037 -0.555 0.000 0.973 404 A CB -0.554 18.329 19.000 -0.196 0.000 1.110 404 A HN 0.413 nan 8.150 nan 0.000 0.590 405 Q N 0.133 119.480 119.800 -0.755 0.000 2.230 405 Q HA 0.048 4.388 4.340 0.000 0.000 0.202 405 Q C 0.022 175.865 176.000 -0.263 0.000 0.963 405 Q CA 1.176 56.733 55.803 -0.410 0.000 0.866 405 Q CB -0.375 28.193 28.738 -0.283 0.000 0.931 405 Q HN 0.720 nan 8.270 nan 0.000 0.452 406 F N -1.949 117.941 119.950 -0.101 0.000 2.399 406 F HA 0.649 5.176 4.527 0.000 0.000 0.328 406 F C 0.944 176.690 175.800 -0.089 0.000 1.084 406 F CA -1.317 56.627 58.000 -0.094 0.000 1.053 406 F CB 0.737 39.666 39.000 -0.119 0.000 1.209 406 F HN -0.184 nan 8.300 nan 0.000 0.502 407 G N 0.517 109.381 108.800 0.107 0.000 2.915 407 G HA2 0.347 4.307 3.960 0.000 0.000 0.298 407 G HA3 0.347 4.307 3.960 0.000 0.000 0.298 407 G C -0.587 174.346 174.900 0.056 0.000 0.837 407 G CA -0.567 44.560 45.100 0.045 0.000 1.752 407 G HN 0.608 nan 8.290 nan 0.000 0.526 408 S N 3.392 119.122 115.700 0.050 0.000 2.912 408 S HA 0.185 4.655 4.470 0.000 0.000 0.184 408 S C 0.109 174.731 174.600 0.037 0.000 1.390 408 S CA -0.604 57.629 58.200 0.054 0.000 1.088 408 S CB 0.024 63.270 63.200 0.076 0.000 1.284 408 S HN 0.882 nan 8.310 nan 0.000 0.502 409 D N 1.082 121.499 120.400 0.029 0.000 3.218 409 D HA -0.228 4.412 4.640 0.000 0.000 0.213 409 D C -0.719 175.599 176.300 0.031 0.000 1.192 409 D CA 0.317 54.333 54.000 0.027 0.000 0.940 409 D CB -1.128 39.687 40.800 0.026 0.000 0.841 409 D HN 0.398 nan 8.370 nan 0.000 0.391 410 L N 2.297 123.535 121.223 0.025 0.000 2.319 410 L HA 0.186 4.526 4.340 0.000 0.000 0.280 410 L C 1.642 178.528 176.870 0.026 0.000 1.099 410 L CA -0.459 54.398 54.840 0.029 0.000 0.828 410 L CB 0.618 42.690 42.059 0.022 0.000 1.150 410 L HN 0.324 nan 8.230 nan 0.000 0.442 411 D N 3.033 123.451 120.400 0.030 0.000 2.414 411 D HA 0.140 4.780 4.640 0.000 0.000 0.251 411 D C 0.987 177.297 176.300 0.017 0.000 1.252 411 D CA -0.035 53.979 54.000 0.022 0.000 0.999 411 D CB 1.315 42.130 40.800 0.024 0.000 1.093 411 D HN 0.501 nan 8.370 nan 0.000 0.515 412 A N 0.454 123.281 122.820 0.011 0.000 1.908 412 A HA -0.075 4.245 4.320 0.000 0.000 0.218 412 A C 2.296 179.883 177.584 0.004 0.000 1.181 412 A CA 2.778 54.818 52.037 0.004 0.000 0.627 412 A CB -1.215 17.785 19.000 -0.000 0.000 0.818 412 A HN 0.716 nan 8.150 nan 0.000 0.445 413 A N -0.415 122.409 122.820 0.007 0.000 1.877 413 A HA -0.097 4.223 4.320 0.000 0.000 0.216 413 A C 2.428 180.021 177.584 0.014 0.000 1.186 413 A CA 2.589 54.630 52.037 0.006 0.000 0.620 413 A CB -1.379 17.625 19.000 0.007 0.000 0.822 413 A HN 0.725 nan 8.150 nan 0.000 0.443 414 T N -2.427 112.143 114.554 0.026 0.000 2.985 414 T HA -0.104 4.246 4.350 0.000 0.000 0.266 414 T C 1.907 176.632 174.700 0.041 0.000 1.076 414 T CA 1.289 63.414 62.100 0.041 0.000 1.135 414 T CB -0.288 68.614 68.868 0.056 0.000 0.890 414 T HN 0.532 nan 8.240 nan 0.000 0.480 415 Q N 0.535 120.351 119.800 0.027 0.000 2.170 415 Q HA -0.195 4.145 4.340 0.000 0.000 0.203 415 Q C 2.453 178.459 176.000 0.009 0.000 0.976 415 Q CA 1.461 57.276 55.803 0.020 0.000 0.858 415 Q CB -0.115 28.629 28.738 0.011 0.000 0.907 415 Q HN 0.589 nan 8.270 nan 0.000 0.433 416 Q N 0.032 119.832 119.800 0.001 0.000 2.137 416 Q HA -0.122 4.218 4.340 0.000 0.000 0.198 416 Q C 1.779 177.765 176.000 -0.024 0.000 0.960 416 Q CA 1.008 56.799 55.803 -0.019 0.000 0.847 416 Q CB -0.301 28.422 28.738 -0.025 0.000 0.915 416 Q HN 0.418 nan 8.270 nan 0.000 0.448 417 L N -0.267 120.959 121.223 0.005 0.000 2.093 417 L HA 0.006 4.346 4.340 0.000 0.000 0.208 417 L C 1.887 178.785 176.870 0.046 0.000 1.085 417 L CA 1.590 56.443 54.840 0.022 0.000 0.755 417 L CB -0.459 41.640 42.059 0.066 0.000 0.904 417 L HN 0.375 nan 8.230 nan 0.000 0.435 418 L N -1.356 119.927 121.223 0.101 0.000 2.291 418 L HA -0.117 4.223 4.340 0.000 0.000 0.214 418 L C 2.345 179.227 176.870 0.020 0.000 1.120 418 L CA 0.924 55.864 54.840 0.168 0.000 0.799 418 L CB -0.306 41.840 42.059 0.145 0.000 0.925 418 L HN 0.215 nan 8.230 nan 0.000 0.446 419 S N -0.853 114.827 115.700 -0.034 0.000 2.377 419 S HA -0.109 4.361 4.470 0.000 0.000 0.223 419 S C 2.009 176.529 174.600 -0.133 0.000 1.030 419 S CA 0.686 58.846 58.200 -0.066 0.000 0.970 419 S CB -0.017 63.152 63.200 -0.051 0.000 0.830 419 S HN 0.247 nan 8.310 nan 0.000 0.473 420 R N 1.662 122.063 120.500 -0.165 0.000 2.075 420 R HA 0.050 4.390 4.340 0.000 0.000 0.232 420 R C 2.217 178.314 176.300 -0.339 0.000 1.126 420 R CA 1.729 57.706 56.100 -0.205 0.000 0.963 420 R CB -1.260 28.938 30.300 -0.169 0.000 0.858 420 R HN 0.351 nan 8.270 nan 0.000 0.435 421 G N -0.268 108.161 108.800 -0.618 0.000 2.480 421 G HA2 -0.229 3.731 3.960 0.000 0.000 0.216 421 G HA3 -0.229 3.731 3.960 0.000 0.000 0.216 421 G C 1.458 175.844 174.900 -0.857 0.000 1.200 421 G CA 1.099 45.402 45.100 -1.328 0.000 0.782 421 G HN 0.230 nan 8.290 nan 0.000 0.554 422 V N 0.813 120.427 119.914 -0.501 0.000 2.380 422 V HA -0.250 3.870 4.120 0.000 0.000 0.251 422 V C 2.977 179.011 176.094 -0.099 0.000 1.063 422 V CA 2.339 64.573 62.300 -0.111 0.000 1.055 422 V CB -0.470 31.351 31.823 -0.003 0.000 0.657 422 V HN 0.370 nan 8.190 nan 0.000 0.455 423 R N -0.673 119.743 120.500 -0.140 0.000 2.066 423 R HA 0.078 4.418 4.340 0.000 0.000 0.224 423 R C 2.322 178.574 176.300 -0.081 0.000 1.122 423 R CA 0.958 57.004 56.100 -0.091 0.000 0.974 423 R CB -0.399 29.843 30.300 -0.097 0.000 0.871 423 R HN 0.363 nan 8.270 nan 0.000 0.435 424 L N 0.578 121.727 121.223 -0.123 0.000 2.043 424 L HA -0.219 4.121 4.340 0.000 0.000 0.212 424 L C 2.323 179.163 176.870 -0.051 0.000 1.075 424 L CA 1.482 56.270 54.840 -0.088 0.000 0.752 424 L CB -0.844 41.145 42.059 -0.117 0.000 0.891 424 L HN 0.276 nan 8.230 nan 0.000 0.432 425 T N -0.897 113.621 114.554 -0.060 0.000 2.699 425 T HA -0.186 4.164 4.350 0.000 0.000 0.268 425 T C 1.772 176.476 174.700 0.005 0.000 1.036 425 T CA 1.302 63.401 62.100 -0.002 0.000 1.147 425 T CB -0.144 68.748 68.868 0.039 0.000 0.862 425 T HN 0.321 nan 8.240 nan 0.000 0.446 426 E N 0.819 121.019 120.200 0.001 0.000 2.204 426 E HA 0.034 4.384 4.350 0.000 0.000 0.194 426 E C 2.162 178.775 176.600 0.021 0.000 0.989 426 E CA 0.595 57.004 56.400 0.014 0.000 0.824 426 E CB -0.240 29.473 29.700 0.022 0.000 0.756 426 E HN 0.488 nan 8.360 nan 0.000 0.477 427 L N 0.139 121.374 121.223 0.019 0.000 2.395 427 L HA -0.018 4.322 4.340 0.000 0.000 0.218 427 L C 2.121 179.004 176.870 0.021 0.000 1.130 427 L CA 0.321 55.180 54.840 0.032 0.000 0.826 427 L CB -0.078 42.003 42.059 0.037 0.000 0.941 427 L HN 0.034 nan 8.230 nan 0.000 0.451 428 L N -0.665 120.565 121.223 0.012 0.000 2.591 428 L HA 0.037 4.377 4.340 0.000 0.000 0.228 428 L C 0.698 177.567 176.870 -0.001 0.000 1.133 428 L CA 0.158 55.003 54.840 0.008 0.000 0.880 428 L CB -0.173 41.892 42.059 0.011 0.000 1.033 428 L HN 0.094 nan 8.230 nan 0.000 0.450 429 K N 1.144 121.542 120.400 -0.003 0.000 2.270 429 K HA 0.289 4.609 4.320 0.000 0.000 0.276 429 K C -0.243 176.345 176.600 -0.020 0.000 1.023 429 K CA 0.129 56.404 56.287 -0.019 0.000 0.955 429 K CB 0.918 33.407 32.500 -0.018 0.000 0.975 429 K HN -0.043 nan 8.250 nan 0.000 0.471 430 Q N 0.764 120.541 119.800 -0.037 0.000 2.320 430 Q HA 0.323 4.663 4.340 0.000 0.000 0.272 430 Q C -0.528 175.437 176.000 -0.058 0.000 1.023 430 Q CA -0.615 55.165 55.803 -0.038 0.000 0.855 430 Q CB 1.787 30.504 28.738 -0.035 0.000 1.367 430 Q HN 0.804 nan 8.270 nan 0.000 0.406 431 G N 1.384 110.154 108.800 -0.050 0.000 2.525 431 G HA2 0.143 4.103 3.960 0.000 0.000 0.276 431 G HA3 0.143 4.103 3.960 0.000 0.000 0.276 431 G C -0.694 174.145 174.900 -0.102 0.000 1.388 431 G CA -0.080 44.983 45.100 -0.061 0.000 1.050 431 G HN 0.579 nan 8.290 nan 0.000 0.520 432 Q N -2.156 117.560 119.800 -0.140 0.000 2.297 432 Q HA 0.435 4.775 4.340 0.000 0.000 0.268 432 Q C -0.633 175.237 176.000 -0.218 0.000 1.045 432 Q CA -0.805 54.788 55.803 -0.350 0.000 0.861 432 Q CB 1.267 29.612 28.738 -0.655 0.000 1.344 432 Q HN 0.626 nan 8.270 nan 0.000 0.452 433 Y N -1.074 119.219 120.300 -0.012 0.000 4.881 433 Y HA -0.271 4.279 4.550 0.000 0.000 0.241 433 Y C -0.101 175.784 175.900 -0.024 0.000 0.985 433 Y CA 0.480 58.568 58.100 -0.019 0.000 1.976 433 Y CB -1.436 37.012 38.460 -0.020 0.000 1.528 433 Y HN 0.308 nan 8.280 nan 0.000 0.581 434 S N 0.988 116.723 115.700 0.060 0.000 2.259 434 S HA 0.359 4.829 4.470 0.000 0.000 0.181 434 S C -2.543 172.052 174.600 -0.008 0.000 1.589 434 S CA -0.989 57.226 58.200 0.026 0.000 1.234 434 S CB 1.041 64.253 63.200 0.021 0.000 1.119 434 S HN -0.042 nan 8.310 nan 0.000 0.458 435 P HA 0.329 nan 4.420 nan 0.000 0.282 435 P C -0.436 176.840 177.300 -0.040 0.000 1.262 435 P CA -0.350 62.734 63.100 -0.026 0.000 0.773 435 P CB 0.425 32.110 31.700 -0.025 0.000 0.879 436 M N 2.057 121.636 119.600 -0.034 0.000 2.255 436 M HA 0.477 4.958 4.480 0.000 0.000 0.336 436 M C 0.777 177.053 176.300 -0.041 0.000 1.135 436 M CA -0.580 54.696 55.300 -0.041 0.000 1.145 436 M CB 0.705 33.286 32.600 -0.031 0.000 1.473 436 M HN 0.292 nan 8.290 nan 0.000 0.462 437 A N 1.518 124.307 122.820 -0.053 0.000 2.425 437 A HA 0.192 4.512 4.320 0.000 0.000 0.242 437 A C 0.967 178.546 177.584 -0.008 0.000 1.077 437 A CA -0.476 51.539 52.037 -0.038 0.000 0.781 437 A CB 0.051 19.019 19.000 -0.053 0.000 1.020 437 A HN 0.959 nan 8.150 nan 0.000 0.494 438 I N 0.571 121.155 120.570 0.024 0.000 2.264 438 I HA -0.216 3.954 4.170 0.000 0.000 0.248 438 I C 2.444 178.566 176.117 0.009 0.000 1.111 438 I CA 2.342 63.657 61.300 0.026 0.000 1.382 438 I CB -0.282 37.744 38.000 0.044 0.000 1.060 438 I HN 0.842 nan 8.210 nan 0.000 0.418 439 E N 0.139 120.336 120.200 -0.005 0.000 2.152 439 E HA -0.251 4.099 4.350 0.000 0.000 0.192 439 E C 1.804 178.381 176.600 -0.038 0.000 0.983 439 E CA 1.392 57.778 56.400 -0.023 0.000 0.818 439 E CB -0.601 29.077 29.700 -0.037 0.000 0.758 439 E HN 0.634 nan 8.360 nan 0.000 0.467 440 E N 0.838 121.010 120.200 -0.046 0.000 2.107 440 E HA -0.115 4.235 4.350 0.000 0.000 0.191 440 E C 2.320 178.911 176.600 -0.015 0.000 0.982 440 E CA 0.922 57.286 56.400 -0.061 0.000 0.809 440 E CB 0.050 29.704 29.700 -0.076 0.000 0.756 440 E HN 0.342 nan 8.360 nan 0.000 0.459 441 Q N 0.228 120.029 119.800 0.001 0.000 2.002 441 Q HA -0.176 4.164 4.340 0.000 0.000 0.204 441 Q C 2.397 178.430 176.000 0.054 0.000 0.988 441 Q CA 1.600 57.418 55.803 0.026 0.000 0.843 441 Q CB -0.219 28.532 28.738 0.022 0.000 0.908 441 Q HN 0.156 nan 8.270 nan 0.000 0.420 442 V N 1.244 121.187 119.914 0.049 0.000 2.278 442 V HA -0.372 3.748 4.120 0.000 0.000 0.251 442 V C 2.328 178.499 176.094 0.128 0.000 1.062 442 V CA 2.036 64.382 62.300 0.077 0.000 1.038 442 V CB -1.145 30.708 31.823 0.050 0.000 0.646 442 V HN 0.484 nan 8.190 nan 0.000 0.447 443 A N 0.035 122.909 122.820 0.091 0.000 1.892 443 A HA -0.222 4.098 4.320 0.000 0.000 0.218 443 A C 2.464 180.243 177.584 0.325 0.000 1.188 443 A CA 2.793 54.920 52.037 0.150 0.000 0.631 443 A CB -0.892 18.131 19.000 0.040 0.000 0.822 443 A HN 0.745 nan 8.150 nan 0.000 0.447 444 V N -1.156 118.911 119.914 0.256 0.000 2.379 444 V HA -0.131 3.989 4.120 0.000 0.000 0.245 444 V C 2.113 178.320 176.094 0.188 0.000 1.044 444 V CA 1.677 64.126 62.300 0.248 0.000 1.036 444 V CB -0.736 31.190 31.823 0.171 0.000 0.664 444 V HN 0.418 nan 8.190 nan 0.000 0.453 445 I N 0.061 120.721 120.570 0.151 0.000 2.194 445 I HA -0.237 3.933 4.170 0.000 0.000 0.246 445 I C 2.537 178.734 176.117 0.132 0.000 1.093 445 I CA 2.468 63.834 61.300 0.110 0.000 1.355 445 I CB -1.756 36.295 38.000 0.085 0.000 1.046 445 I HN 0.524 nan 8.210 nan 0.000 0.413 446 Y N 2.193 122.535 120.300 0.071 0.000 2.040 446 Y HA -0.356 4.194 4.550 0.000 0.000 0.275 446 Y C 2.709 178.675 175.900 0.110 0.000 1.171 446 Y CA 2.604 60.758 58.100 0.090 0.000 1.123 446 Y CB -0.430 38.102 38.460 0.120 0.000 0.963 446 Y HN 0.156 nan 8.280 nan 0.000 0.493 447 A N -0.305 122.706 122.820 0.317 0.000 1.997 447 A HA -0.204 4.116 4.320 0.000 0.000 0.221 447 A C 2.346 179.965 177.584 0.060 0.000 1.172 447 A CA 2.116 54.282 52.037 0.215 0.000 0.645 447 A CB -1.603 17.468 19.000 0.119 0.000 0.813 447 A HN 0.670 nan 8.150 nan 0.000 0.454 448 G N -1.368 107.434 108.800 0.002 0.000 2.570 448 G HA2 0.111 4.071 3.960 0.000 0.000 0.209 448 G HA3 0.111 4.071 3.960 0.000 0.000 0.209 448 G C 1.366 176.177 174.900 -0.148 0.000 1.168 448 G CA 0.833 45.890 45.100 -0.071 0.000 0.831 448 G HN 0.294 nan 8.290 nan 0.000 0.564 449 V N 1.409 121.239 119.914 -0.140 0.000 2.594 449 V HA -0.060 4.060 4.120 0.000 0.000 0.253 449 V C 2.530 178.464 176.094 -0.268 0.000 1.069 449 V CA 1.203 63.402 62.300 -0.168 0.000 1.082 449 V CB -0.420 31.335 31.823 -0.113 0.000 0.680 449 V HN 0.175 nan 8.190 nan 0.000 0.469 450 R N -0.040 120.211 120.500 -0.415 0.000 2.317 450 R HA 0.246 4.586 4.340 0.000 0.000 0.208 450 R C 1.776 177.612 176.300 -0.775 0.000 0.914 450 R CA 0.754 56.477 56.100 -0.628 0.000 1.060 450 R CB -0.029 29.734 30.300 -0.896 0.000 1.015 450 R HN 0.595 nan 8.270 nan 0.000 0.498 451 G N 0.352 108.838 108.800 -0.523 0.000 2.213 451 G HA2 -0.344 3.616 3.960 0.000 0.000 0.236 451 G HA3 -0.344 3.616 3.960 0.000 0.000 0.236 451 G C 0.730 175.438 174.900 -0.320 0.000 0.991 451 G CA 0.162 45.024 45.100 -0.398 0.000 0.629 451 G HN 0.439 nan 8.290 nan 0.000 0.517 452 Y N 0.398 120.610 120.300 -0.146 0.000 2.651 452 Y HA 0.230 4.780 4.550 0.000 0.000 0.296 452 Y C 2.459 178.247 175.900 -0.185 0.000 1.150 452 Y CA 0.995 59.014 58.100 -0.135 0.000 1.348 452 Y CB -0.017 38.379 38.460 -0.106 0.000 0.983 452 Y HN 0.340 nan 8.280 nan 0.000 0.555 453 L N -0.788 120.377 121.223 -0.095 0.000 2.808 453 L HA 0.081 4.421 4.340 0.000 0.000 0.246 453 L C 0.797 177.587 176.870 -0.134 0.000 1.153 453 L CA -0.017 54.718 54.840 -0.177 0.000 0.956 453 L CB 0.104 42.039 42.059 -0.207 0.000 1.270 453 L HN 0.032 nan 8.230 nan 0.000 0.528 454 D N 1.114 121.446 120.400 -0.114 0.000 2.265 454 D HA -0.147 4.493 4.640 0.000 0.000 0.208 454 D C 1.682 177.937 176.300 -0.075 0.000 0.977 454 D CA 1.293 55.234 54.000 -0.098 0.000 0.871 454 D CB 0.258 40.998 40.800 -0.101 0.000 0.925 454 D HN 0.197 nan 8.370 nan 0.000 0.485 455 K N -0.592 119.766 120.400 -0.070 0.000 2.374 455 K HA 0.111 4.431 4.320 0.000 0.000 0.202 455 K C -0.037 176.534 176.600 -0.048 0.000 1.040 455 K CA -0.478 55.779 56.287 -0.051 0.000 1.085 455 K CB 0.969 33.447 32.500 -0.038 0.000 0.873 455 K HN 0.011 nan 8.250 nan 0.000 0.539 456 L N 2.401 123.582 121.223 -0.070 0.000 2.331 456 L HA 0.140 4.481 4.340 0.000 0.000 0.278 456 L C 0.110 176.965 176.870 -0.026 0.000 1.106 456 L CA -0.032 54.776 54.840 -0.053 0.000 0.824 456 L CB 0.757 42.748 42.059 -0.113 0.000 1.142 456 L HN 0.046 nan 8.230 nan 0.000 0.443 457 E N 6.215 126.416 120.200 0.002 0.000 2.608 457 E HA -0.078 4.272 4.350 0.000 0.000 0.259 457 E C -1.683 174.930 176.600 0.022 0.000 0.951 457 E CA -0.855 55.552 56.400 0.012 0.000 0.945 457 E CB 0.887 30.600 29.700 0.022 0.000 0.916 457 E HN 0.534 nan 8.360 nan 0.000 0.477 458 P HA -0.173 nan 4.420 nan 0.000 0.216 458 P C 1.089 178.414 177.300 0.041 0.000 1.150 458 P CA 1.349 64.461 63.100 0.019 0.000 0.837 458 P CB 0.158 31.866 31.700 0.013 0.000 0.786 459 S N -0.781 114.945 115.700 0.044 0.000 2.469 459 S HA -0.088 4.382 4.470 0.000 0.000 0.238 459 S C 1.649 176.299 174.600 0.084 0.000 0.998 459 S CA 0.985 59.217 58.200 0.054 0.000 0.957 459 S CB -0.780 62.446 63.200 0.042 0.000 0.764 459 S HN 0.231 nan 8.310 nan 0.000 0.514 460 K N 0.486 120.951 120.400 0.107 0.000 2.356 460 K HA 0.350 4.670 4.320 0.000 0.000 0.195 460 K C 1.648 178.384 176.600 0.227 0.000 1.037 460 K CA 0.126 56.526 56.287 0.189 0.000 1.014 460 K CB -0.131 32.502 32.500 0.222 0.000 0.815 460 K HN 0.368 nan 8.250 nan 0.000 0.507 461 I N 1.001 121.661 120.570 0.149 0.000 2.208 461 I HA -0.307 3.863 4.170 0.000 0.000 0.245 461 I C 1.968 178.196 176.117 0.184 0.000 1.097 461 I CA 1.373 62.767 61.300 0.157 0.000 1.363 461 I CB -0.405 37.645 38.000 0.085 0.000 1.051 461 I HN 0.136 nan 8.210 nan 0.000 0.413 462 T N 0.159 114.792 114.554 0.132 0.000 2.821 462 T HA -0.172 4.178 4.350 0.000 0.000 0.267 462 T C 1.972 176.740 174.700 0.114 0.000 1.046 462 T CA 1.116 63.276 62.100 0.101 0.000 1.139 462 T CB -0.088 68.822 68.868 0.071 0.000 0.871 462 T HN 0.264 nan 8.240 nan 0.000 0.454 463 K N -0.055 120.451 120.400 0.176 0.000 2.097 463 K HA -0.042 4.278 4.320 0.000 0.000 0.205 463 K C 2.013 178.708 176.600 0.158 0.000 1.050 463 K CA 1.008 57.435 56.287 0.233 0.000 0.938 463 K CB -0.213 32.512 32.500 0.374 0.000 0.718 463 K HN 0.364 nan 8.250 nan 0.000 0.442 464 F N 1.967 121.851 119.950 -0.111 0.000 2.163 464 F HA -0.119 4.408 4.527 0.000 0.000 0.297 464 F C 2.189 177.894 175.800 -0.157 0.000 1.094 464 F CA 1.406 59.105 58.000 -0.502 0.000 1.290 464 F CB -0.206 38.503 39.000 -0.485 0.000 1.017 464 F HN 0.039 nan 8.300 nan 0.000 0.483 465 E N 0.268 120.343 120.200 -0.208 0.000 2.118 465 E HA -0.244 4.106 4.350 0.000 0.000 0.195 465 E C 1.744 178.238 176.600 -0.177 0.000 0.992 465 E CA 1.510 57.785 56.400 -0.209 0.000 0.804 465 E CB -0.201 29.503 29.700 0.007 0.000 0.741 465 E HN 0.488 nan 8.360 nan 0.000 0.458 466 N N 0.351 118.991 118.700 -0.101 0.000 2.207 466 N HA -0.092 4.648 4.740 0.000 0.000 0.182 466 N C 1.776 177.247 175.510 -0.064 0.000 1.020 466 N CA 1.129 54.144 53.050 -0.058 0.000 0.858 466 N CB -0.385 38.104 38.487 0.004 0.000 0.991 466 N HN 0.172 nan 8.380 nan 0.000 0.427 467 A N 1.231 124.030 122.820 -0.036 0.000 1.883 467 A HA -0.162 4.158 4.320 0.000 0.000 0.217 467 A C 2.101 179.648 177.584 -0.062 0.000 1.186 467 A CA 1.094 53.185 52.037 0.091 0.000 0.624 467 A CB -1.029 18.128 19.000 0.261 0.000 0.822 467 A HN 0.260 nan 8.150 nan 0.000 0.444 468 F N 0.523 120.120 119.950 -0.588 0.000 2.069 468 F HA -0.168 4.359 4.527 0.000 0.000 0.298 468 F C 1.970 177.451 175.800 -0.532 0.000 1.113 468 F CA 1.731 59.163 58.000 -0.947 0.000 1.214 468 F CB -0.548 37.724 39.000 -1.213 0.000 0.978 468 F HN 0.150 nan 8.300 nan 0.000 0.474 469 L N -0.645 120.304 121.223 -0.457 0.000 2.012 469 L HA -0.287 4.053 4.340 0.000 0.000 0.210 469 L C 2.616 179.290 176.870 -0.328 0.000 1.073 469 L CA 1.731 56.322 54.840 -0.414 0.000 0.748 469 L CB -0.942 40.990 42.059 -0.211 0.000 0.891 469 L HN 0.097 nan 8.230 nan 0.000 0.431 470 S N -1.552 114.028 115.700 -0.200 0.000 2.383 470 S HA -0.271 4.199 4.470 0.000 0.000 0.229 470 S C 1.874 176.409 174.600 -0.108 0.000 1.030 470 S CA 1.513 59.646 58.200 -0.110 0.000 1.002 470 S CB -0.387 62.800 63.200 -0.020 0.000 0.829 470 S HN 0.531 nan 8.310 nan 0.000 0.467 471 H N 1.772 120.679 119.070 -0.271 0.000 2.299 471 H HA -0.047 4.509 4.556 0.000 0.000 0.302 471 H C 2.056 177.232 175.328 -0.254 0.000 1.078 471 H CA 2.048 57.952 56.048 -0.239 0.000 1.323 471 H CB -0.613 28.905 29.762 -0.406 0.000 1.381 471 H HN 0.225 nan 8.280 nan 0.000 0.498 472 V N -0.882 118.671 119.914 -0.603 0.000 2.407 472 V HA -0.156 3.964 4.120 0.000 0.000 0.248 472 V C 2.479 178.372 176.094 -0.334 0.000 1.055 472 V CA 2.015 63.995 62.300 -0.534 0.000 1.049 472 V CB -0.926 30.481 31.823 -0.695 0.000 0.662 472 V HN 0.401 nan 8.190 nan 0.000 0.455 473 I N 1.277 121.673 120.570 -0.290 0.000 2.394 473 I HA -0.165 4.005 4.170 0.000 0.000 0.251 473 I C 2.874 178.893 176.117 -0.164 0.000 1.136 473 I CA 1.811 62.993 61.300 -0.196 0.000 1.425 473 I CB -0.306 37.596 38.000 -0.163 0.000 1.079 473 I HN 0.476 nan 8.210 nan 0.000 0.425 474 S N -0.017 115.582 115.700 -0.169 0.000 2.377 474 S HA -0.109 4.361 4.470 0.000 0.000 0.223 474 S C 1.918 176.408 174.600 -0.183 0.000 1.030 474 S CA 1.020 59.140 58.200 -0.134 0.000 0.970 474 S CB 0.033 63.187 63.200 -0.077 0.000 0.830 474 S HN 0.431 nan 8.310 nan 0.000 0.473 475 Q N -1.244 118.377 119.800 -0.298 0.000 2.350 475 Q HA 0.182 4.522 4.340 0.000 0.000 0.225 475 Q C 0.031 175.658 176.000 -0.621 0.000 0.878 475 Q CA 0.346 55.881 55.803 -0.446 0.000 0.935 475 Q CB 0.498 28.910 28.738 -0.543 0.000 1.099 475 Q HN 0.715 nan 8.270 nan 0.000 0.527 476 H N 0.047 118.952 119.070 -0.276 0.000 2.651 476 H HA 0.086 4.642 4.556 0.000 0.000 0.241 476 H C 0.753 175.966 175.328 -0.191 0.000 1.225 476 H CA -0.065 55.843 56.048 -0.233 0.000 0.942 476 H CB 0.626 30.212 29.762 -0.294 0.000 1.996 476 H HN 0.178 nan 8.280 nan 0.000 0.600 477 Q N -0.311 119.435 119.800 -0.090 0.000 2.482 477 Q HA 0.112 4.453 4.340 0.000 0.000 0.209 477 Q C 1.656 177.620 176.000 -0.059 0.000 0.961 477 Q CA 0.742 56.495 55.803 -0.082 0.000 0.945 477 Q CB 0.322 29.006 28.738 -0.090 0.000 1.012 477 Q HN 0.397 nan 8.270 nan 0.000 0.515 478 A N 1.646 124.438 122.820 -0.046 0.000 1.897 478 A HA -0.096 4.224 4.320 0.000 0.000 0.215 478 A C 2.048 179.614 177.584 -0.030 0.000 1.181 478 A CA 1.021 53.038 52.037 -0.033 0.000 0.620 478 A CB -0.439 18.547 19.000 -0.024 0.000 0.821 478 A HN 0.393 nan 8.150 nan 0.000 0.443 479 L N -0.349 120.859 121.223 -0.024 0.000 2.056 479 L HA -0.038 4.302 4.340 0.000 0.000 0.207 479 L C 2.238 179.066 176.870 -0.070 0.000 1.078 479 L CA 1.552 56.361 54.840 -0.050 0.000 0.749 479 L CB -0.403 41.612 42.059 -0.074 0.000 0.901 479 L HN 0.363 nan 8.230 nan 0.000 0.433 480 L N -0.377 120.798 121.223 -0.079 0.000 2.046 480 L HA -0.132 4.208 4.340 0.000 0.000 0.208 480 L C 2.503 179.337 176.870 -0.059 0.000 1.077 480 L CA 1.419 56.208 54.840 -0.084 0.000 0.747 480 L CB -1.297 40.702 42.059 -0.101 0.000 0.896 480 L HN 0.465 nan 8.230 nan 0.000 0.432 481 G N -0.733 108.037 108.800 -0.051 0.000 2.471 481 G HA2 -0.258 3.702 3.960 0.000 0.000 0.219 481 G HA3 -0.258 3.702 3.960 0.000 0.000 0.219 481 G C 1.664 176.546 174.900 -0.031 0.000 1.125 481 G CA 0.604 45.681 45.100 -0.038 0.000 0.775 481 G HN 0.179 nan 8.290 nan 0.000 0.548 482 K N 0.227 120.606 120.400 -0.035 0.000 2.098 482 K HA 0.232 4.552 4.320 0.000 0.000 0.203 482 K C 2.280 178.862 176.600 -0.029 0.000 1.051 482 K CA 0.431 56.700 56.287 -0.030 0.000 0.957 482 K CB -0.299 32.182 32.500 -0.032 0.000 0.738 482 K HN 0.293 nan 8.250 nan 0.000 0.447 483 I N 0.267 120.815 120.570 -0.037 0.000 2.394 483 I HA -0.220 3.950 4.170 0.000 0.000 0.251 483 I C 2.470 178.574 176.117 -0.021 0.000 1.136 483 I CA 0.987 62.268 61.300 -0.032 0.000 1.425 483 I CB -0.100 37.872 38.000 -0.046 0.000 1.079 483 I HN 0.153 nan 8.210 nan 0.000 0.425 484 R N 0.030 120.518 120.500 -0.020 0.000 2.090 484 R HA -0.116 4.224 4.340 0.000 0.000 0.228 484 R C 2.186 178.481 176.300 -0.008 0.000 1.110 484 R CA 1.735 57.830 56.100 -0.008 0.000 0.973 484 R CB -0.083 30.213 30.300 -0.006 0.000 0.869 484 R HN 0.210 nan 8.270 nan 0.000 0.440 485 T N 0.699 115.245 114.554 -0.012 0.000 2.852 485 T HA -0.039 4.311 4.350 0.000 0.000 0.256 485 T C 0.957 175.650 174.700 -0.013 0.000 1.038 485 T CA 1.199 63.292 62.100 -0.012 0.000 1.141 485 T CB -0.108 68.752 68.868 -0.012 0.000 0.869 485 T HN 0.274 nan 8.240 nan 0.000 0.439 486 D N 0.712 121.105 120.400 -0.013 0.000 2.224 486 D HA 0.074 4.714 4.640 0.000 0.000 0.205 486 D C 1.642 177.936 176.300 -0.011 0.000 0.965 486 D CA 0.918 54.911 54.000 -0.011 0.000 0.852 486 D CB -0.436 40.357 40.800 -0.011 0.000 0.947 486 D HN 0.510 nan 8.370 nan 0.000 0.494 487 G N 1.126 109.919 108.800 -0.011 0.000 2.221 487 G HA2 -0.314 3.646 3.960 0.000 0.000 0.265 487 G HA3 -0.314 3.646 3.960 0.000 0.000 0.265 487 G C 0.265 175.162 174.900 -0.005 0.000 1.041 487 G CA 0.711 45.805 45.100 -0.010 0.000 0.807 487 G HN 0.402 nan 8.290 nan 0.000 0.502 488 K N -1.146 119.252 120.400 -0.004 0.000 2.575 488 K HA 0.606 4.926 4.320 0.000 0.000 0.279 488 K C -0.884 175.717 176.600 0.002 0.000 0.969 488 K CA -1.135 55.154 56.287 0.003 0.000 0.868 488 K CB 1.387 33.888 32.500 0.001 0.000 1.457 488 K HN 0.074 nan 8.250 nan 0.000 0.426 489 I N 2.929 123.507 120.570 0.014 0.000 2.388 489 I HA 0.132 4.303 4.170 0.000 0.000 0.281 489 I C 0.372 176.501 176.117 0.019 0.000 1.046 489 I CA -0.472 60.836 61.300 0.012 0.000 1.187 489 I CB 1.305 39.330 38.000 0.041 0.000 1.351 489 I HN 0.529 nan 8.210 nan 0.000 0.472 490 S N 2.908 118.611 115.700 0.005 0.000 2.608 490 S HA 0.200 4.670 4.470 0.000 0.000 0.261 490 S C 0.995 175.605 174.600 0.016 0.000 1.314 490 S CA -0.467 57.739 58.200 0.009 0.000 0.992 490 S CB 1.233 64.434 63.200 0.001 0.000 0.935 490 S HN 0.600 nan 8.310 nan 0.000 0.564 491 E N 0.497 120.708 120.200 0.020 0.000 2.118 491 E HA -0.168 4.183 4.350 0.000 0.000 0.195 491 E C 1.969 178.580 176.600 0.019 0.000 0.992 491 E CA 1.532 57.949 56.400 0.027 0.000 0.804 491 E CB -0.147 29.568 29.700 0.025 0.000 0.741 491 E HN 0.864 nan 8.360 nan 0.000 0.458 492 E N 0.031 120.235 120.200 0.007 0.000 2.051 492 E HA -0.170 4.180 4.350 0.000 0.000 0.192 492 E C 1.853 178.443 176.600 -0.018 0.000 0.991 492 E CA 1.388 57.787 56.400 -0.002 0.000 0.799 492 E CB 0.054 29.752 29.700 -0.004 0.000 0.748 492 E HN 0.081 nan 8.360 nan 0.000 0.449 493 S N 0.559 116.242 115.700 -0.028 0.000 2.382 493 S HA -0.185 4.285 4.470 0.000 0.000 0.228 493 S C 1.575 176.120 174.600 -0.091 0.000 1.027 493 S CA 1.438 59.600 58.200 -0.063 0.000 0.991 493 S CB -0.328 62.835 63.200 -0.061 0.000 0.823 493 S HN 0.424 nan 8.310 nan 0.000 0.469 494 D N 1.474 121.856 120.400 -0.031 0.000 2.097 494 D HA 0.004 4.644 4.640 0.000 0.000 0.197 494 D C 1.972 178.303 176.300 0.052 0.000 0.984 494 D CA 1.202 55.217 54.000 0.025 0.000 0.826 494 D CB -0.314 40.561 40.800 0.125 0.000 0.973 494 D HN 0.288 nan 8.370 nan 0.000 0.460 495 A N -0.044 122.799 122.820 0.038 0.000 1.972 495 A HA -0.133 4.187 4.320 0.000 0.000 0.219 495 A C 2.153 179.734 177.584 -0.006 0.000 1.169 495 A CA 1.755 53.814 52.037 0.036 0.000 0.635 495 A CB -0.584 18.433 19.000 0.029 0.000 0.810 495 A HN 0.184 nan 8.150 nan 0.000 0.446 496 K N -0.332 120.040 120.400 -0.045 0.000 2.103 496 K HA 0.099 4.419 4.320 0.000 0.000 0.204 496 K C 1.716 178.230 176.600 -0.143 0.000 1.052 496 K CA 0.908 57.145 56.287 -0.084 0.000 0.945 496 K CB -0.368 32.077 32.500 -0.092 0.000 0.722 496 K HN 0.455 nan 8.250 nan 0.000 0.443 497 L N 0.448 121.555 121.223 -0.192 0.000 2.056 497 L HA -0.141 4.199 4.340 0.000 0.000 0.207 497 L C 2.442 179.242 176.870 -0.117 0.000 1.078 497 L CA 1.323 56.003 54.840 -0.265 0.000 0.749 497 L CB -0.337 41.287 42.059 -0.726 0.000 0.901 497 L HN 0.177 nan 8.230 nan 0.000 0.433 498 K N 0.176 120.552 120.400 -0.041 0.000 2.020 498 K HA -0.257 4.063 4.320 0.000 0.000 0.212 498 K C 1.984 178.492 176.600 -0.153 0.000 1.050 498 K CA 1.773 57.975 56.287 -0.142 0.000 0.929 498 K CB -0.047 32.449 32.500 -0.005 0.000 0.714 498 K HN 0.291 nan 8.250 nan 0.000 0.443 499 E N 0.247 120.407 120.200 -0.067 0.000 2.065 499 E HA -0.248 4.102 4.350 0.000 0.000 0.201 499 E C 2.075 178.681 176.600 0.011 0.000 1.016 499 E CA 2.010 58.396 56.400 -0.024 0.000 0.818 499 E CB -0.221 29.474 29.700 -0.009 0.000 0.749 499 E HN 0.352 nan 8.360 nan 0.000 0.453 500 I N 0.323 120.895 120.570 0.004 0.000 2.133 500 I HA -0.258 3.912 4.170 0.000 0.000 0.238 500 I C 2.472 178.712 176.117 0.205 0.000 1.074 500 I CA 0.800 62.174 61.300 0.122 0.000 1.342 500 I CB -0.420 37.596 38.000 0.025 0.000 1.053 500 I HN -0.028 nan 8.210 nan 0.000 0.404 501 V N 1.070 121.036 119.914 0.086 0.000 2.255 501 V HA -0.313 3.807 4.120 0.000 0.000 0.247 501 V C 2.766 178.865 176.094 0.009 0.000 1.051 501 V CA 2.682 64.983 62.300 0.002 0.000 1.018 501 V CB -1.466 30.270 31.823 -0.144 0.000 0.641 501 V HN 0.675 nan 8.190 nan 0.000 0.445 502 T N -1.495 112.991 114.554 -0.114 0.000 2.821 502 T HA -0.163 4.187 4.350 0.000 0.000 0.267 502 T C 1.645 176.366 174.700 0.035 0.000 1.046 502 T CA 1.641 63.700 62.100 -0.069 0.000 1.139 502 T CB -0.417 68.382 68.868 -0.114 0.000 0.871 502 T HN 0.451 nan 8.240 nan 0.000 0.454 503 N N 0.161 118.908 118.700 0.078 0.000 2.395 503 N HA 0.145 4.885 4.740 0.000 0.000 0.175 503 N C 1.372 176.974 175.510 0.154 0.000 1.029 503 N CA 0.438 53.549 53.050 0.101 0.000 0.897 503 N CB -0.348 38.196 38.487 0.096 0.000 0.991 503 N HN 0.441 nan 8.380 nan 0.000 0.441 504 F N 2.051 122.058 119.950 0.095 0.000 2.163 504 F HA 0.051 4.578 4.527 0.000 0.000 0.297 504 F C 2.191 178.104 175.800 0.188 0.000 1.094 504 F CA 0.610 58.687 58.000 0.127 0.000 1.290 504 F CB -0.134 38.990 39.000 0.206 0.000 1.017 504 F HN -0.090 nan 8.300 nan 0.000 0.483 505 L N 0.135 121.561 121.223 0.340 0.000 1.971 505 L HA -0.267 4.073 4.340 0.000 0.000 0.215 505 L C 2.636 179.576 176.870 0.116 0.000 1.072 505 L CA 1.924 56.878 54.840 0.191 0.000 0.758 505 L CB -1.034 41.024 42.059 -0.001 0.000 0.889 505 L HN 0.279 nan 8.230 nan 0.000 0.433 506 A N -0.432 122.423 122.820 0.059 0.000 1.978 506 A HA -0.185 4.135 4.320 0.000 0.000 0.220 506 A C 2.217 179.802 177.584 0.001 0.000 1.170 506 A CA 1.798 53.850 52.037 0.025 0.000 0.636 506 A CB -1.149 17.861 19.000 0.016 0.000 0.810 506 A HN 0.592 nan 8.150 nan 0.000 0.448 507 G N -1.955 106.829 108.800 -0.028 0.000 2.430 507 G HA2 -0.088 3.872 3.960 0.000 0.000 0.216 507 G HA3 -0.088 3.872 3.960 0.000 0.000 0.216 507 G C 1.392 176.243 174.900 -0.081 0.000 1.146 507 G CA 0.902 45.954 45.100 -0.080 0.000 0.793 507 G HN 0.501 nan 8.290 nan 0.000 0.537 508 F N 1.156 120.975 119.950 -0.219 0.000 2.259 508 F HA 0.156 4.683 4.527 0.000 0.000 0.298 508 F C 2.137 177.901 175.800 -0.060 0.000 1.088 508 F CA 1.034 58.946 58.000 -0.147 0.000 1.358 508 F CB 0.243 39.208 39.000 -0.059 0.000 1.040 508 F HN 0.152 nan 8.300 nan 0.000 0.505 509 E N 0.740 120.954 120.200 0.024 0.000 2.365 509 E HA 0.225 4.575 4.350 0.000 0.000 0.188 509 E C 0.076 176.621 176.600 -0.093 0.000 1.102 509 E CA -0.153 56.219 56.400 -0.047 0.000 0.927 509 E CB -0.098 29.615 29.700 0.023 0.000 1.073 509 E HN 0.381 nan 8.360 nan 0.000 0.467 510 A N 0.000 122.743 122.820 -0.128 0.000 2.254 510 A HA 0.000 4.320 4.320 0.000 0.000 0.244 510 A CA 0.000 51.974 52.037 -0.105 0.000 0.836 510 A CB 0.000 18.952 19.000 -0.079 0.000 0.831 510 A HN 0.000 nan 8.150 nan 0.000 0.486