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 2qvy_1_X DATA FIRST_RESID 1 DATA SEQUENCE MQTVNEMLRR AATRAPDHCA LAVPARGLRL THAELRARVE AVAARLHADG DATA SEQUENCE LRPQQRVAVV APNSADVVIA ILALHRLGAV PALLNPRLKS AELAELIKRG DATA SEQUENCE EMTAAVIAVX XQVADAIFQS GSGARIIFLG DLVRDGEPYS YGPPIEDPQR DATA SEQUENCE EPAQPAFIFY TSXXTGLPKA AIIPQRAAES RVLFMSTQVG LRHGRHNVVL DATA SEQUENCE GLMPLYHVVG FFAVLVAALA LDGTYVVVEE FRPVDALQLV QQEQVTSLFA DATA SEQUENCE TPTHLDALAA AAAHAGSSLK LDSLRHVTFA GATMPDAVLE TVHQHLPGEK DATA SEQUENCE VNGYGTTEAM NSLYMRQPKT GTEMAPGFFS EVRIVRIGGG VDEIVANGEE DATA SEQUENCE GELIVAASDS AFVGYLNQPQ ATAEKLQDGW YRTSDVAVWT PEGTVRILGR DATA SEQUENCE VDDMIISGGE NIHPSEIERV LGTAPGVTEV VVIGLADQRW GQSVTACVVP DATA SEQUENCE RLGETLSADA LDTFCRSSEL ADFKRPKRYF ILDQLPKNAL NKVLRRQLVQ DATA SEQUENCE QVS 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.328 176.300 0.047 0.000 1.140 1 M CA 0.000 55.322 55.300 0.036 0.000 0.988 1 M CB 0.000 32.622 32.600 0.037 0.000 1.302 2 Q N 2.626 122.460 119.800 0.056 0.000 2.339 2 Q HA 0.491 4.831 4.340 -0.001 0.000 0.268 2 Q C -0.601 175.460 176.000 0.102 0.000 1.027 2 Q CA -0.457 55.389 55.803 0.072 0.000 0.759 2 Q CB 1.931 30.709 28.738 0.067 0.000 1.244 2 Q HN 0.773 nan 8.270 nan 0.000 0.464 3 T N -1.359 113.275 114.554 0.133 0.000 2.754 3 T HA 0.174 4.523 4.350 -0.001 0.000 0.286 3 T C 1.443 176.297 174.700 0.258 0.000 0.997 3 T CA -0.679 61.548 62.100 0.213 0.000 0.982 3 T CB 0.808 69.828 68.868 0.254 0.000 1.027 3 T HN 0.332 nan 8.240 nan 0.000 0.529 4 V N 1.635 121.771 119.914 0.371 0.000 2.231 4 V HA -0.231 3.888 4.120 -0.001 0.000 0.248 4 V C 2.880 179.200 176.094 0.377 0.000 1.054 4 V CA 2.574 65.083 62.300 0.348 0.000 1.015 4 V CB -1.430 30.590 31.823 0.328 0.000 0.638 4 V HN 1.016 nan 8.190 nan 0.000 0.444 5 N N -0.038 119.017 118.700 0.593 0.000 2.060 5 N HA -0.233 4.507 4.740 -0.001 0.000 0.195 5 N C 1.870 177.482 175.510 0.171 0.000 1.028 5 N CA 1.884 55.110 53.050 0.293 0.000 0.861 5 N CB -0.208 38.302 38.487 0.038 0.000 1.029 5 N HN 0.424 nan 8.380 nan 0.000 0.428 6 E N -0.074 120.221 120.200 0.157 0.000 2.077 6 E HA -0.158 4.191 4.350 -0.001 0.000 0.193 6 E C 2.067 178.729 176.600 0.103 0.000 0.989 6 E CA 0.858 57.321 56.400 0.105 0.000 0.800 6 E CB -0.233 29.521 29.700 0.090 0.000 0.746 6 E HN 0.560 nan 8.360 nan 0.000 0.452 7 M N 0.112 119.784 119.600 0.121 0.000 2.080 7 M HA -0.172 4.308 4.480 -0.001 0.000 0.260 7 M C 2.352 178.713 176.300 0.102 0.000 1.068 7 M CA 1.311 56.671 55.300 0.100 0.000 1.109 7 M CB -0.246 32.412 32.600 0.096 0.000 1.342 7 M HN 0.082 nan 8.290 nan 0.000 0.405 8 L N -1.062 120.230 121.223 0.115 0.000 2.156 8 L HA -0.165 4.175 4.340 -0.001 0.000 0.208 8 L C 2.622 179.567 176.870 0.126 0.000 1.095 8 L CA 0.982 55.894 54.840 0.120 0.000 0.770 8 L CB -0.711 41.412 42.059 0.107 0.000 0.914 8 L HN 0.351 nan 8.230 nan 0.000 0.439 9 R N 0.773 121.335 120.500 0.102 0.000 2.062 9 R HA -0.118 4.221 4.340 -0.001 0.000 0.229 9 R C 2.474 178.818 176.300 0.073 0.000 1.128 9 R CA 1.139 57.289 56.100 0.083 0.000 0.960 9 R CB -0.022 30.315 30.300 0.062 0.000 0.855 9 R HN 0.237 nan 8.270 nan 0.000 0.432 10 R N 0.262 120.801 120.500 0.065 0.000 2.091 10 R HA -0.102 4.238 4.340 -0.001 0.000 0.238 10 R C 2.391 178.718 176.300 0.044 0.000 1.136 10 R CA 1.426 57.554 56.100 0.047 0.000 0.959 10 R CB -0.458 29.867 30.300 0.041 0.000 0.856 10 R HN 0.275 nan 8.270 nan 0.000 0.437 11 A N 1.694 124.552 122.820 0.064 0.000 1.849 11 A HA -0.222 4.098 4.320 -0.001 0.000 0.217 11 A C 2.468 180.045 177.584 -0.011 0.000 1.202 11 A CA 1.997 54.053 52.037 0.033 0.000 0.629 11 A CB -1.150 17.914 19.000 0.106 0.000 0.834 11 A HN 0.403 nan 8.150 nan 0.000 0.447 12 A N -0.682 122.205 122.820 0.111 0.000 1.929 12 A HA -0.309 4.010 4.320 -0.001 0.000 0.221 12 A C 2.475 180.086 177.584 0.046 0.000 1.211 12 A CA 3.544 55.651 52.037 0.117 0.000 0.657 12 A CB -1.755 17.322 19.000 0.128 0.000 0.827 12 A HN 1.120 nan 8.150 nan 0.000 0.462 13 T N -3.198 111.376 114.554 0.033 0.000 3.023 13 T HA -0.011 4.338 4.350 -0.001 0.000 0.266 13 T C 1.798 176.501 174.700 0.005 0.000 1.093 13 T CA 1.155 63.268 62.100 0.021 0.000 1.129 13 T CB -0.255 68.625 68.868 0.020 0.000 0.899 13 T HN 0.579 nan 8.240 nan 0.000 0.491 14 R N 0.878 121.373 120.500 -0.009 0.000 2.173 14 R HA 0.434 4.773 4.340 -0.001 0.000 0.208 14 R C 1.146 177.423 176.300 -0.039 0.000 1.035 14 R CA 0.792 56.883 56.100 -0.014 0.000 1.004 14 R CB 0.262 30.568 30.300 0.010 0.000 0.917 14 R HN 0.430 nan 8.270 nan 0.000 0.462 15 A N 0.934 123.702 122.820 -0.086 0.000 3.292 15 A HA 0.275 4.594 4.320 -0.001 0.000 0.231 15 A C -2.142 175.435 177.584 -0.012 0.000 0.952 15 A CA -0.946 51.033 52.037 -0.097 0.000 1.044 15 A CB 0.572 19.425 19.000 -0.244 0.000 1.236 15 A HN -0.076 nan 8.150 nan 0.000 0.525 16 P HA -0.142 nan 4.420 nan 0.000 0.216 16 P C 0.170 177.541 177.300 0.118 0.000 1.150 16 P CA 1.413 64.566 63.100 0.087 0.000 0.837 16 P CB 0.218 31.954 31.700 0.060 0.000 0.786 17 D N -2.526 117.935 120.400 0.102 0.000 2.340 17 D HA 0.022 4.661 4.640 -0.001 0.000 0.217 17 D C 0.580 176.957 176.300 0.129 0.000 1.081 17 D CA 0.087 54.145 54.000 0.097 0.000 0.842 17 D CB -0.667 40.173 40.800 0.067 0.000 0.934 17 D HN 0.321 nan 8.370 nan 0.000 0.511 18 H N 0.207 119.322 119.070 0.075 0.000 2.551 18 H HA 0.194 4.750 4.556 -0.001 0.000 0.358 18 H C -0.307 175.126 175.328 0.175 0.000 1.151 18 H CA -0.548 55.557 56.048 0.095 0.000 1.374 18 H CB 1.043 30.835 29.762 0.050 0.000 1.473 18 H HN -0.076 nan 8.280 nan 0.000 0.574 19 C N 4.674 123.660 119.300 -0.524 0.000 2.627 19 C HA 0.509 4.969 4.460 -0.001 0.000 0.404 19 C C 1.383 176.336 174.990 -0.061 0.000 1.340 19 C CA 0.313 59.180 59.018 -0.251 0.000 1.758 19 C CB -1.910 25.657 27.740 -0.288 0.000 2.501 19 C HN 0.896 nan 8.230 nan 0.000 0.588 20 A N 5.616 128.392 122.820 -0.074 0.000 1.919 20 A HA 0.396 4.716 4.320 -0.001 0.000 0.211 20 A C 0.321 177.863 177.584 -0.070 0.000 1.310 20 A CA 0.530 52.431 52.037 -0.228 0.000 0.651 20 A CB -0.340 18.350 19.000 -0.517 0.000 0.996 20 A HN 0.630 nan 8.150 nan 0.000 0.479 21 L N 0.003 121.199 121.223 -0.044 0.000 2.309 21 L HA 0.723 5.063 4.340 -0.001 0.000 0.282 21 L C -0.084 176.792 176.870 0.010 0.000 1.036 21 L CA -0.590 54.272 54.840 0.036 0.000 0.806 21 L CB 0.951 43.031 42.059 0.036 0.000 1.220 21 L HN 0.381 nan 8.230 nan 0.000 0.429 22 A N 3.852 126.681 122.820 0.014 0.000 2.375 22 A HA 0.694 5.013 4.320 -0.001 0.000 0.295 22 A C -1.135 176.439 177.584 -0.016 0.000 1.066 22 A CA -0.500 51.528 52.037 -0.015 0.000 0.722 22 A CB 1.279 20.256 19.000 -0.039 0.000 1.206 22 A HN 0.337 nan 8.150 nan 0.000 0.435 23 V N 4.496 124.407 119.914 -0.005 0.000 2.259 23 V HA 0.277 4.397 4.120 -0.001 0.000 0.267 23 V C -1.514 174.571 176.094 -0.015 0.000 1.051 23 V CA -1.064 61.232 62.300 -0.007 0.000 0.830 23 V CB 0.759 32.589 31.823 0.010 0.000 1.080 23 V HN 0.802 nan 8.190 nan 0.000 0.467 24 P HA -0.134 nan 4.420 nan 0.000 0.219 24 P C 1.586 178.873 177.300 -0.021 0.000 1.150 24 P CA 1.611 64.696 63.100 -0.026 0.000 0.814 24 P CB 0.495 32.175 31.700 -0.034 0.000 0.787 25 A N 1.210 124.018 122.820 -0.020 0.000 1.883 25 A HA -0.169 4.150 4.320 -0.001 0.000 0.217 25 A C 2.149 179.726 177.584 -0.012 0.000 1.186 25 A CA 1.440 53.467 52.037 -0.017 0.000 0.624 25 A CB -0.947 18.044 19.000 -0.016 0.000 0.822 25 A HN 0.060 nan 8.150 nan 0.000 0.444 26 R N -0.623 119.872 120.500 -0.007 0.000 2.335 26 R HA 0.147 4.487 4.340 -0.001 0.000 0.223 26 R C 1.013 177.310 176.300 -0.005 0.000 0.940 26 R CA 0.555 56.652 56.100 -0.004 0.000 1.086 26 R CB -0.950 29.351 30.300 0.002 0.000 1.073 26 R HN 0.725 nan 8.270 nan 0.000 0.504 27 G N 2.149 110.943 108.800 -0.009 0.000 2.393 27 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.299 27 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.299 27 G C -0.392 174.504 174.900 -0.007 0.000 0.990 27 G CA 0.305 45.399 45.100 -0.009 0.000 1.118 27 G HN 0.266 nan 8.290 nan 0.000 0.513 28 L N 0.145 121.364 121.223 -0.006 0.000 2.365 28 L HA 0.870 5.210 4.340 -0.001 0.000 0.273 28 L C 0.124 176.990 176.870 -0.007 0.000 1.000 28 L CA -1.194 53.644 54.840 -0.003 0.000 0.819 28 L CB 1.325 43.386 42.059 0.004 0.000 1.284 28 L HN 0.355 nan 8.230 nan 0.000 0.418 29 R N 5.474 125.968 120.500 -0.009 0.000 2.621 29 R HA 0.744 5.084 4.340 -0.001 0.000 0.284 29 R C -1.719 174.573 176.300 -0.014 0.000 0.998 29 R CA -0.919 55.171 56.100 -0.017 0.000 0.895 29 R CB 1.718 32.000 30.300 -0.029 0.000 1.195 29 R HN 0.477 nan 8.270 nan 0.000 0.450 30 L N 1.468 122.681 121.223 -0.018 0.000 2.365 30 L HA 0.419 4.759 4.340 -0.001 0.000 0.273 30 L C 0.738 177.593 176.870 -0.025 0.000 1.000 30 L CA -0.807 54.024 54.840 -0.015 0.000 0.819 30 L CB 2.226 44.278 42.059 -0.011 0.000 1.284 30 L HN 0.767 nan 8.230 nan 0.000 0.418 31 T N -3.333 111.221 114.554 -0.000 0.000 2.748 31 T HA 0.051 4.401 4.350 -0.001 0.000 0.304 31 T C 1.169 175.904 174.700 0.058 0.000 1.041 31 T CA -0.133 61.992 62.100 0.042 0.000 1.033 31 T CB 0.460 69.368 68.868 0.067 0.000 0.995 31 T HN 0.529 nan 8.240 nan 0.000 0.536 32 H N 0.579 119.676 119.070 0.045 0.000 2.387 32 H HA -0.076 4.479 4.556 -0.001 0.000 0.299 32 H C 2.540 177.893 175.328 0.041 0.000 1.090 32 H CA 1.618 57.698 56.048 0.053 0.000 1.332 32 H CB -0.410 29.396 29.762 0.074 0.000 1.386 32 H HN 0.804 nan 8.280 nan 0.000 0.516 33 A N 1.308 124.225 122.820 0.162 0.000 1.858 33 A HA -0.193 4.127 4.320 -0.001 0.000 0.216 33 A C 2.273 179.894 177.584 0.062 0.000 1.190 33 A CA 1.724 53.819 52.037 0.096 0.000 0.617 33 A CB -0.481 18.564 19.000 0.076 0.000 0.827 33 A HN 0.425 nan 8.150 nan 0.000 0.443 34 E N -0.760 119.471 120.200 0.051 0.000 2.118 34 E HA -0.197 4.153 4.350 -0.001 0.000 0.195 34 E C 1.921 178.534 176.600 0.021 0.000 0.992 34 E CA 1.321 57.739 56.400 0.030 0.000 0.804 34 E CB -0.254 29.459 29.700 0.022 0.000 0.741 34 E HN 0.553 nan 8.360 nan 0.000 0.458 35 L N 0.859 122.089 121.223 0.011 0.000 2.201 35 L HA -0.099 4.241 4.340 -0.001 0.000 0.212 35 L C 2.008 178.883 176.870 0.010 0.000 1.105 35 L CA 1.415 56.251 54.840 -0.007 0.000 0.775 35 L CB 0.005 42.029 42.059 -0.057 0.000 0.913 35 L HN -0.073 nan 8.230 nan 0.000 0.440 36 R N 0.140 120.657 120.500 0.030 0.000 2.066 36 R HA -0.052 4.287 4.340 -0.001 0.000 0.232 36 R C 2.269 178.583 176.300 0.023 0.000 1.131 36 R CA 1.363 57.484 56.100 0.035 0.000 0.955 36 R CB -1.132 29.199 30.300 0.052 0.000 0.851 36 R HN 0.534 nan 8.270 nan 0.000 0.432 37 A N 1.582 124.416 122.820 0.022 0.000 1.903 37 A HA -0.245 4.075 4.320 -0.001 0.000 0.219 37 A C 2.257 179.846 177.584 0.008 0.000 1.191 37 A CA 1.901 53.947 52.037 0.014 0.000 0.638 37 A CB -0.485 18.525 19.000 0.018 0.000 0.823 37 A HN 0.295 nan 8.150 nan 0.000 0.451 38 R N -0.971 119.535 120.500 0.010 0.000 2.148 38 R HA 0.003 4.342 4.340 -0.001 0.000 0.227 38 R C 1.941 178.244 176.300 0.004 0.000 1.103 38 R CA 1.127 57.231 56.100 0.008 0.000 0.983 38 R CB -0.441 29.867 30.300 0.013 0.000 0.874 38 R HN 0.400 nan 8.270 nan 0.000 0.451 39 V N 1.233 121.153 119.914 0.010 0.000 2.307 39 V HA -0.204 3.916 4.120 -0.001 0.000 0.245 39 V C 2.119 178.212 176.094 -0.001 0.000 1.045 39 V CA 1.658 63.967 62.300 0.014 0.000 1.024 39 V CB -0.367 31.474 31.823 0.031 0.000 0.651 39 V HN 0.238 nan 8.190 nan 0.000 0.449 40 E N 0.671 120.868 120.200 -0.005 0.000 2.070 40 E HA -0.257 4.093 4.350 -0.001 0.000 0.197 40 E C 2.316 178.894 176.600 -0.037 0.000 1.004 40 E CA 1.868 58.256 56.400 -0.020 0.000 0.805 40 E CB -0.658 29.033 29.700 -0.015 0.000 0.744 40 E HN 0.586 nan 8.360 nan 0.000 0.451 41 A N 0.863 123.662 122.820 -0.036 0.000 1.872 41 A HA -0.084 4.236 4.320 -0.001 0.000 0.214 41 A C 2.651 180.176 177.584 -0.098 0.000 1.187 41 A CA 1.330 53.331 52.037 -0.060 0.000 0.614 41 A CB -0.610 18.364 19.000 -0.043 0.000 0.826 41 A HN 0.131 nan 8.150 nan 0.000 0.442 42 V N 0.230 120.099 119.914 -0.074 0.000 2.332 42 V HA -0.270 3.849 4.120 -0.001 0.000 0.248 42 V C 3.038 179.085 176.094 -0.078 0.000 1.055 42 V CA 1.917 64.165 62.300 -0.087 0.000 1.038 42 V CB -1.443 30.357 31.823 -0.039 0.000 0.651 42 V HN 0.600 nan 8.190 nan 0.000 0.450 43 A N 0.326 123.118 122.820 -0.047 0.000 1.883 43 A HA -0.189 4.130 4.320 -0.001 0.000 0.217 43 A C 2.466 180.034 177.584 -0.027 0.000 1.186 43 A CA 2.416 54.436 52.037 -0.029 0.000 0.624 43 A CB -0.951 18.033 19.000 -0.026 0.000 0.822 43 A HN 0.607 nan 8.150 nan 0.000 0.444 44 A N -0.917 121.866 122.820 -0.062 0.000 1.940 44 A HA -0.187 4.133 4.320 -0.001 0.000 0.219 44 A C 2.297 179.843 177.584 -0.062 0.000 1.176 44 A CA 1.698 53.696 52.037 -0.065 0.000 0.631 44 A CB -0.481 18.466 19.000 -0.089 0.000 0.814 44 A HN 0.497 nan 8.150 nan 0.000 0.446 45 R N -0.689 119.703 120.500 -0.181 0.000 2.115 45 R HA 0.063 4.403 4.340 -0.001 0.000 0.226 45 R C 1.861 178.042 176.300 -0.199 0.000 1.100 45 R CA 0.963 56.841 56.100 -0.370 0.000 0.980 45 R CB -0.268 29.668 30.300 -0.607 0.000 0.875 45 R HN 0.570 nan 8.270 nan 0.000 0.445 46 L N -0.738 120.426 121.223 -0.098 0.000 2.179 46 L HA -0.133 4.207 4.340 -0.001 0.000 0.208 46 L C 2.661 179.533 176.870 0.004 0.000 1.096 46 L CA 0.850 55.665 54.840 -0.041 0.000 0.779 46 L CB -0.570 41.471 42.059 -0.028 0.000 0.922 46 L HN 0.297 nan 8.230 nan 0.000 0.443 47 H N 0.551 119.586 119.070 -0.059 0.000 2.395 47 H HA -0.047 4.509 4.556 -0.001 0.000 0.299 47 H C 2.083 177.401 175.328 -0.017 0.000 1.070 47 H CA 1.421 57.447 56.048 -0.037 0.000 1.356 47 H CB 0.397 30.136 29.762 -0.039 0.000 1.401 47 H HN 0.277 nan 8.280 nan 0.000 0.524 48 A N 0.733 123.662 122.820 0.183 0.000 1.972 48 A HA -0.147 4.173 4.320 -0.001 0.000 0.219 48 A C 1.640 179.285 177.584 0.102 0.000 1.169 48 A CA 1.691 53.828 52.037 0.167 0.000 0.635 48 A CB -0.269 18.849 19.000 0.197 0.000 0.810 48 A HN 0.378 nan 8.150 nan 0.000 0.446 49 D N -0.466 119.975 120.400 0.068 0.000 2.324 49 D HA 0.347 4.987 4.640 -0.001 0.000 0.235 49 D C 0.861 177.143 176.300 -0.030 0.000 1.095 49 D CA 1.103 55.127 54.000 0.040 0.000 0.871 49 D CB -0.388 40.439 40.800 0.045 0.000 0.906 49 D HN 0.607 nan 8.370 nan 0.000 0.522 50 G N 1.078 109.822 108.800 -0.092 0.000 3.038 50 G HA2 -0.066 3.894 3.960 -0.001 0.000 0.241 50 G HA3 -0.066 3.894 3.960 -0.001 0.000 0.241 50 G C -0.605 174.207 174.900 -0.146 0.000 0.968 50 G CA -0.194 44.815 45.100 -0.151 0.000 0.949 50 G HN 0.370 nan 8.290 nan 0.000 0.394 51 L N 2.102 123.196 121.223 -0.214 0.000 3.657 51 L HA 0.560 4.900 4.340 -0.001 0.000 0.264 51 L C -0.462 176.309 176.870 -0.166 0.000 0.988 51 L CA -0.762 53.992 54.840 -0.143 0.000 1.245 51 L CB 0.812 42.817 42.059 -0.091 0.000 1.965 51 L HN 0.660 nan 8.230 nan 0.000 0.626 52 R N 3.532 123.961 120.500 -0.118 0.000 2.797 52 R HA 0.719 5.059 4.340 -0.001 0.000 0.251 52 R C -2.565 173.714 176.300 -0.034 0.000 1.107 52 R CA -2.122 53.927 56.100 -0.085 0.000 1.084 52 R CB 0.383 30.636 30.300 -0.078 0.000 1.205 52 R HN 0.340 nan 8.270 nan 0.000 0.515 53 P HA -0.042 nan 4.420 nan 0.000 0.270 53 P C 0.021 177.304 177.300 -0.028 0.000 1.221 53 P CA 0.316 63.405 63.100 -0.018 0.000 0.788 53 P CB 0.428 32.122 31.700 -0.009 0.000 0.904 54 Q N -2.315 117.464 119.800 -0.035 0.000 2.224 54 Q HA -0.270 4.070 4.340 -0.001 0.000 0.189 54 Q C -0.299 175.680 176.000 -0.035 0.000 0.639 54 Q CA 1.511 57.293 55.803 -0.035 0.000 1.436 54 Q CB -1.521 27.201 28.738 -0.027 0.000 1.626 54 Q HN 0.690 nan 8.270 nan 0.000 0.768 55 Q N 1.012 120.790 119.800 -0.037 0.000 2.304 55 Q HA 0.288 4.627 4.340 -0.001 0.000 0.260 55 Q C -0.166 175.811 176.000 -0.038 0.000 0.965 55 Q CA 0.017 55.799 55.803 -0.036 0.000 0.898 55 Q CB 0.490 29.204 28.738 -0.040 0.000 1.196 55 Q HN 0.092 nan 8.270 nan 0.000 0.402 56 R N 1.287 121.769 120.500 -0.030 0.000 2.347 56 R HA 0.262 4.602 4.340 -0.001 0.000 0.304 56 R C -0.702 175.581 176.300 -0.027 0.000 1.072 56 R CA -0.196 55.888 56.100 -0.027 0.000 0.980 56 R CB 0.607 30.901 30.300 -0.010 0.000 0.986 56 R HN 0.310 nan 8.270 nan 0.000 0.448 57 V N 2.354 122.249 119.914 -0.033 0.000 2.448 57 V HA 0.524 4.643 4.120 -0.001 0.000 0.295 57 V C 0.196 176.270 176.094 -0.033 0.000 1.025 57 V CA -1.170 61.111 62.300 -0.033 0.000 0.859 57 V CB 1.691 33.493 31.823 -0.035 0.000 0.988 57 V HN 0.897 nan 8.190 nan 0.000 0.431 58 A N 4.324 127.124 122.820 -0.033 0.000 2.354 58 A HA 0.734 5.053 4.320 -0.001 0.000 0.269 58 A C -0.371 177.183 177.584 -0.050 0.000 1.109 58 A CA -0.331 51.681 52.037 -0.042 0.000 0.800 58 A CB 0.753 19.723 19.000 -0.051 0.000 1.045 58 A HN 0.810 nan 8.150 nan 0.000 0.489 59 V N 3.182 123.058 119.914 -0.064 0.000 2.407 59 V HA 0.394 4.514 4.120 -0.001 0.000 0.291 59 V C -0.551 175.510 176.094 -0.055 0.000 1.018 59 V CA -0.429 61.842 62.300 -0.050 0.000 0.842 59 V CB 1.416 33.210 31.823 -0.049 0.000 0.996 59 V HN 0.592 nan 8.190 nan 0.000 0.426 60 V N 4.413 124.305 119.914 -0.037 0.000 2.305 60 V HA 0.883 5.003 4.120 -0.001 0.000 0.275 60 V C 0.167 176.262 176.094 0.002 0.000 1.020 60 V CA -0.085 62.188 62.300 -0.045 0.000 0.811 60 V CB 1.070 32.857 31.823 -0.060 0.000 1.031 60 V HN 1.040 nan 8.190 nan 0.000 0.439 61 A N 6.612 129.449 122.820 0.029 0.000 2.604 61 A HA 0.976 5.295 4.320 -0.001 0.000 0.295 61 A C -3.117 174.531 177.584 0.106 0.000 1.067 61 A CA -1.195 50.878 52.037 0.061 0.000 0.683 61 A CB 2.086 21.125 19.000 0.064 0.000 1.281 61 A HN 0.480 nan 8.150 nan 0.000 0.407 62 P HA 0.236 nan 4.420 nan 0.000 0.276 62 P C -0.733 176.647 177.300 0.133 0.000 1.252 62 P CA -0.493 62.692 63.100 0.143 0.000 0.802 62 P CB 0.423 32.187 31.700 0.107 0.000 1.035 63 N N 0.326 119.110 118.700 0.140 0.000 2.411 63 N HA 0.199 4.939 4.740 -0.001 0.000 0.261 63 N C 0.094 175.671 175.510 0.112 0.000 1.248 63 N CA 0.584 53.711 53.050 0.129 0.000 0.885 63 N CB -0.359 38.207 38.487 0.132 0.000 1.062 63 N HN 0.500 nan 8.380 nan 0.000 0.471 64 S N -0.499 115.268 115.700 0.112 0.000 2.552 64 S HA 0.593 5.062 4.470 -0.001 0.000 0.272 64 S C 0.588 175.246 174.600 0.096 0.000 1.150 64 S CA -0.414 57.843 58.200 0.094 0.000 0.849 64 S CB 0.911 64.153 63.200 0.071 0.000 1.113 64 S HN 0.405 nan 8.310 nan 0.000 0.458 65 A N 1.288 124.160 122.820 0.087 0.000 1.986 65 A HA -0.112 4.207 4.320 -0.001 0.000 0.220 65 A C 1.629 179.246 177.584 0.055 0.000 1.171 65 A CA 2.168 54.251 52.037 0.076 0.000 0.640 65 A CB -1.044 17.992 19.000 0.059 0.000 0.811 65 A HN 0.865 nan 8.150 nan 0.000 0.451 66 D N -0.723 119.709 120.400 0.054 0.000 2.117 66 D HA -0.099 4.540 4.640 -0.001 0.000 0.198 66 D C 2.014 178.344 176.300 0.050 0.000 0.982 66 D CA 1.424 55.453 54.000 0.049 0.000 0.828 66 D CB -0.548 40.282 40.800 0.049 0.000 0.967 66 D HN 0.241 nan 8.370 nan 0.000 0.464 67 V N 0.696 120.644 119.914 0.056 0.000 2.427 67 V HA -0.176 3.944 4.120 -0.001 0.000 0.248 67 V C 2.453 178.578 176.094 0.052 0.000 1.051 67 V CA 1.010 63.343 62.300 0.055 0.000 1.048 67 V CB -0.115 31.746 31.823 0.064 0.000 0.666 67 V HN -0.028 nan 8.190 nan 0.000 0.456 68 V N 0.392 120.333 119.914 0.045 0.000 2.252 68 V HA -0.312 3.807 4.120 -0.001 0.000 0.249 68 V C 2.268 178.384 176.094 0.036 0.000 1.056 68 V CA 2.770 65.082 62.300 0.021 0.000 1.022 68 V CB -0.521 31.279 31.823 -0.038 0.000 0.641 68 V HN 0.524 nan 8.190 nan 0.000 0.445 69 I N 0.175 120.765 120.570 0.032 0.000 2.163 69 I HA -0.281 3.888 4.170 -0.001 0.000 0.243 69 I C 2.689 178.834 176.117 0.046 0.000 1.085 69 I CA 1.580 62.901 61.300 0.035 0.000 1.347 69 I CB -0.716 37.301 38.000 0.028 0.000 1.044 69 I HN 0.321 nan 8.210 nan 0.000 0.408 70 A N 1.229 124.076 122.820 0.045 0.000 1.865 70 A HA -0.207 4.112 4.320 -0.001 0.000 0.217 70 A C 2.299 179.916 177.584 0.054 0.000 1.191 70 A CA 1.753 53.815 52.037 0.042 0.000 0.623 70 A CB -0.884 18.139 19.000 0.038 0.000 0.826 70 A HN 0.380 nan 8.150 nan 0.000 0.444 71 I N -0.362 120.249 120.570 0.069 0.000 2.142 71 I HA -0.256 3.913 4.170 -0.001 0.000 0.240 71 I C 2.419 178.646 176.117 0.183 0.000 1.078 71 I CA 1.212 62.570 61.300 0.096 0.000 1.343 71 I CB -0.380 37.669 38.000 0.083 0.000 1.046 71 I HN 0.292 nan 8.210 nan 0.000 0.405 72 L N 0.514 121.853 121.223 0.192 0.000 2.042 72 L HA -0.226 4.114 4.340 -0.001 0.000 0.210 72 L C 2.829 179.804 176.870 0.175 0.000 1.076 72 L CA 1.403 56.384 54.840 0.234 0.000 0.749 72 L CB -0.829 41.322 42.059 0.154 0.000 0.893 72 L HN 0.266 nan 8.230 nan 0.000 0.432 73 A N 0.064 122.944 122.820 0.101 0.000 1.933 73 A HA -0.133 4.186 4.320 -0.001 0.000 0.218 73 A C 2.253 179.866 177.584 0.048 0.000 1.175 73 A CA 1.320 53.389 52.037 0.054 0.000 0.628 73 A CB -0.581 18.435 19.000 0.026 0.000 0.814 73 A HN 0.351 nan 8.150 nan 0.000 0.444 74 L N -1.595 119.667 121.223 0.064 0.000 2.056 74 L HA -0.174 4.165 4.340 -0.001 0.000 0.207 74 L C 2.633 179.529 176.870 0.045 0.000 1.078 74 L CA 1.709 56.572 54.840 0.039 0.000 0.749 74 L CB -0.608 41.467 42.059 0.026 0.000 0.901 74 L HN 0.649 nan 8.230 nan 0.000 0.433 75 H N 0.237 119.303 119.070 -0.006 0.000 2.389 75 H HA -0.176 4.380 4.556 -0.001 0.000 0.299 75 H C 2.273 177.597 175.328 -0.007 0.000 1.081 75 H CA 1.610 57.627 56.048 -0.051 0.000 1.345 75 H CB 0.073 29.870 29.762 0.059 0.000 1.393 75 H HN 0.029 nan 8.280 nan 0.000 0.520 76 R N 0.629 121.055 120.500 -0.122 0.000 2.096 76 R HA -0.060 4.279 4.340 -0.001 0.000 0.235 76 R C 2.377 178.604 176.300 -0.123 0.000 1.127 76 R CA 1.646 57.652 56.100 -0.157 0.000 0.968 76 R CB -1.141 29.137 30.300 -0.037 0.000 0.861 76 R HN 0.549 nan 8.270 nan 0.000 0.440 77 L N -1.554 119.631 121.223 -0.064 0.000 2.027 77 L HA 0.062 4.402 4.340 -0.001 0.000 0.206 77 L C 1.253 178.099 176.870 -0.040 0.000 1.074 77 L CA 2.001 56.826 54.840 -0.025 0.000 0.745 77 L CB -0.193 41.876 42.059 0.015 0.000 0.898 77 L HN 0.579 nan 8.230 nan 0.000 0.433 78 G N -2.005 106.749 108.800 -0.076 0.000 2.318 78 G HA2 -0.119 3.841 3.960 -0.001 0.000 0.172 78 G HA3 -0.119 3.841 3.960 -0.001 0.000 0.172 78 G C 0.316 175.180 174.900 -0.060 0.000 1.002 78 G CA -0.073 44.979 45.100 -0.079 0.000 0.697 78 G HN 0.692 nan 8.290 nan 0.000 0.483 79 A N 0.135 122.925 122.820 -0.049 0.000 2.425 79 A HA 0.621 4.941 4.320 -0.001 0.000 0.242 79 A C 0.467 177.999 177.584 -0.087 0.000 1.077 79 A CA 0.399 52.404 52.037 -0.053 0.000 0.781 79 A CB 0.894 19.870 19.000 -0.039 0.000 1.020 79 A HN 1.032 nan 8.150 nan 0.000 0.494 80 V N 4.821 124.677 119.914 -0.096 0.000 2.304 80 V HA 0.269 4.388 4.120 -0.001 0.000 0.269 80 V C -2.230 173.791 176.094 -0.122 0.000 1.036 80 V CA -1.314 60.898 62.300 -0.146 0.000 0.840 80 V CB 0.887 32.651 31.823 -0.098 0.000 1.036 80 V HN 0.739 nan 8.190 nan 0.000 0.466 81 P HA 0.327 nan 4.420 nan 0.000 0.276 81 P C -0.638 176.600 177.300 -0.104 0.000 1.230 81 P CA -0.147 62.896 63.100 -0.094 0.000 0.776 81 P CB 0.949 32.610 31.700 -0.064 0.000 0.888 82 A N 4.808 127.586 122.820 -0.070 0.000 2.322 82 A HA 0.453 4.772 4.320 -0.001 0.000 0.327 82 A C -0.153 177.400 177.584 -0.052 0.000 1.394 82 A CA -0.686 51.345 52.037 -0.010 0.000 0.921 82 A CB -0.384 18.694 19.000 0.130 0.000 1.153 82 A HN 0.474 nan 8.150 nan 0.000 0.523 83 L N 3.065 124.154 121.223 -0.224 0.000 2.331 83 L HA 0.475 4.815 4.340 -0.001 0.000 0.278 83 L C -0.437 176.384 176.870 -0.080 0.000 1.106 83 L CA -0.094 54.617 54.840 -0.216 0.000 0.824 83 L CB 0.659 42.463 42.059 -0.425 0.000 1.142 83 L HN 0.545 nan 8.230 nan 0.000 0.443 84 L N 2.904 124.043 121.223 -0.140 0.000 2.381 84 L HA 0.403 4.742 4.340 -0.001 0.000 0.268 84 L C 0.087 176.736 176.870 -0.367 0.000 0.997 84 L CA -0.743 53.920 54.840 -0.295 0.000 0.818 84 L CB 2.086 43.908 42.059 -0.394 0.000 1.310 84 L HN 0.535 nan 8.230 nan 0.000 0.416 85 N N 4.032 122.372 118.700 -0.601 0.000 2.440 85 N HA 0.053 4.793 4.740 -0.001 0.000 0.265 85 N C -1.701 173.503 175.510 -0.511 0.000 1.239 85 N CA -1.171 51.269 53.050 -1.017 0.000 0.909 85 N CB 1.236 39.262 38.487 -0.768 0.000 1.066 85 N HN 0.346 nan 8.380 nan 0.000 0.474 86 P HA -0.015 nan 4.420 nan 0.000 0.233 86 P C 0.383 177.611 177.300 -0.121 0.000 1.167 86 P CA 0.769 63.773 63.100 -0.160 0.000 0.770 86 P CB 0.407 32.076 31.700 -0.051 0.000 0.837 87 R N -0.893 119.522 120.500 -0.142 0.000 2.310 87 R HA 0.230 4.570 4.340 -0.001 0.000 0.202 87 R C 1.046 177.294 176.300 -0.087 0.000 0.933 87 R CA -0.164 55.890 56.100 -0.077 0.000 1.054 87 R CB -0.526 29.754 30.300 -0.034 0.000 0.985 87 R HN 0.217 nan 8.270 nan 0.000 0.489 88 L N 1.369 122.514 121.223 -0.131 0.000 2.483 88 L HA 0.023 4.362 4.340 -0.001 0.000 0.275 88 L C 0.485 177.308 176.870 -0.079 0.000 1.220 88 L CA 0.153 54.926 54.840 -0.112 0.000 0.833 88 L CB 0.435 42.403 42.059 -0.152 0.000 1.102 88 L HN 0.045 nan 8.230 nan 0.000 0.490 89 K N 1.238 121.601 120.400 -0.061 0.000 2.436 89 K HA 0.004 4.324 4.320 -0.001 0.000 0.275 89 K C 1.104 177.675 176.600 -0.048 0.000 0.999 89 K CA -0.204 56.056 56.287 -0.045 0.000 0.980 89 K CB 0.912 33.391 32.500 -0.034 0.000 0.919 89 K HN 0.597 nan 8.250 nan 0.000 0.484 90 S N 2.478 118.156 115.700 -0.036 0.000 2.389 90 S HA -0.335 4.135 4.470 -0.001 0.000 0.229 90 S C 1.936 176.515 174.600 -0.035 0.000 1.048 90 S CA 1.939 60.119 58.200 -0.033 0.000 1.117 90 S CB -0.316 62.872 63.200 -0.019 0.000 1.020 90 S HN 0.813 nan 8.310 nan 0.000 0.430 91 A N 0.783 123.586 122.820 -0.029 0.000 1.906 91 A HA -0.342 3.978 4.320 -0.001 0.000 0.222 91 A C 1.996 179.558 177.584 -0.037 0.000 1.282 91 A CA 2.562 54.583 52.037 -0.028 0.000 0.675 91 A CB -1.202 17.784 19.000 -0.022 0.000 0.838 91 A HN 0.644 nan 8.150 nan 0.000 0.469 92 E N -0.727 119.446 120.200 -0.044 0.000 2.058 92 E HA -0.161 4.188 4.350 -0.001 0.000 0.194 92 E C 2.010 178.564 176.600 -0.077 0.000 0.997 92 E CA 1.391 57.758 56.400 -0.055 0.000 0.801 92 E CB -0.235 29.428 29.700 -0.062 0.000 0.746 92 E HN 0.652 nan 8.360 nan 0.000 0.450 93 L N -0.167 121.001 121.223 -0.091 0.000 2.056 93 L HA -0.147 4.193 4.340 -0.001 0.000 0.207 93 L C 2.492 179.310 176.870 -0.087 0.000 1.078 93 L CA 0.992 55.761 54.840 -0.117 0.000 0.749 93 L CB -0.401 41.590 42.059 -0.114 0.000 0.901 93 L HN 0.186 nan 8.230 nan 0.000 0.433 94 A N -0.329 122.455 122.820 -0.060 0.000 1.972 94 A HA -0.235 4.085 4.320 -0.001 0.000 0.219 94 A C 2.168 179.730 177.584 -0.037 0.000 1.169 94 A CA 1.820 53.830 52.037 -0.044 0.000 0.635 94 A CB -0.360 18.620 19.000 -0.033 0.000 0.810 94 A HN 0.385 nan 8.150 nan 0.000 0.446 95 E N 0.372 120.550 120.200 -0.037 0.000 2.015 95 E HA -0.091 4.258 4.350 -0.001 0.000 0.191 95 E C 1.773 178.364 176.600 -0.015 0.000 0.991 95 E CA 1.269 57.656 56.400 -0.022 0.000 0.802 95 E CB -0.509 29.179 29.700 -0.019 0.000 0.759 95 E HN 0.537 nan 8.360 nan 0.000 0.447 96 L N 0.340 121.546 121.223 -0.029 0.000 2.187 96 L HA -0.157 4.183 4.340 -0.001 0.000 0.213 96 L C 2.354 179.232 176.870 0.012 0.000 1.100 96 L CA 0.906 55.745 54.840 -0.002 0.000 0.765 96 L CB -0.374 41.636 42.059 -0.081 0.000 0.904 96 L HN 0.234 nan 8.230 nan 0.000 0.437 97 I N -0.334 120.223 120.570 -0.022 0.000 2.584 97 I HA -0.188 3.982 4.170 -0.001 0.000 0.255 97 I C 3.077 179.193 176.117 -0.002 0.000 1.145 97 I CA 0.973 62.265 61.300 -0.013 0.000 1.462 97 I CB -0.575 37.404 38.000 -0.035 0.000 1.102 97 I HN 0.178 nan 8.210 nan 0.000 0.433 98 K N 1.752 122.149 120.400 -0.005 0.000 1.985 98 K HA -0.154 4.166 4.320 -0.001 0.000 0.210 98 K C 2.142 178.748 176.600 0.010 0.000 1.047 98 K CA 1.570 57.856 56.287 -0.002 0.000 0.932 98 K CB -1.145 31.352 32.500 -0.005 0.000 0.716 98 K HN 0.354 nan 8.250 nan 0.000 0.439 99 R N -0.512 119.999 120.500 0.019 0.000 2.113 99 R HA -0.104 4.235 4.340 -0.001 0.000 0.244 99 R C 2.718 179.042 176.300 0.039 0.000 1.142 99 R CA 1.433 57.551 56.100 0.031 0.000 0.953 99 R CB -1.006 29.321 30.300 0.046 0.000 0.860 99 R HN 0.495 nan 8.270 nan 0.000 0.438 100 G N 0.979 109.810 108.800 0.052 0.000 2.586 100 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.215 100 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.215 100 G C -0.093 174.826 174.900 0.032 0.000 1.128 100 G CA 0.117 45.252 45.100 0.059 0.000 0.774 100 G HN 0.442 nan 8.290 nan 0.000 0.543 101 E N -0.502 119.708 120.200 0.018 0.000 2.183 101 E HA -0.177 4.173 4.350 -0.001 0.000 0.196 101 E C 0.056 176.656 176.600 0.000 0.000 1.364 101 E CA 0.183 56.586 56.400 0.006 0.000 0.700 101 E CB -0.963 28.741 29.700 0.006 0.000 1.106 101 E HN 0.460 nan 8.360 nan 0.000 0.347 102 M N -0.065 119.534 119.600 -0.002 0.000 2.238 102 M HA 0.143 4.622 4.480 -0.001 0.000 0.350 102 M C 1.566 177.853 176.300 -0.020 0.000 1.138 102 M CA -0.294 55.001 55.300 -0.009 0.000 1.040 102 M CB 1.207 33.803 32.600 -0.006 0.000 1.639 102 M HN -0.043 nan 8.290 nan 0.000 0.451 103 T N 1.054 115.593 114.554 -0.025 0.000 2.821 103 T HA 0.109 4.458 4.350 -0.001 0.000 0.267 103 T C 0.793 175.471 174.700 -0.037 0.000 1.046 103 T CA 1.161 63.241 62.100 -0.032 0.000 1.139 103 T CB 0.031 68.877 68.868 -0.037 0.000 0.871 103 T HN 0.814 nan 8.240 nan 0.000 0.454 104 A N -0.092 122.706 122.820 -0.038 0.000 2.568 104 A HA 0.862 5.181 4.320 -0.001 0.000 0.291 104 A C -1.745 175.812 177.584 -0.044 0.000 1.159 104 A CA -0.511 51.499 52.037 -0.045 0.000 0.679 104 A CB 1.093 20.066 19.000 -0.046 0.000 1.285 104 A HN 0.529 nan 8.150 nan 0.000 0.428 105 A N -0.021 122.767 122.820 -0.053 0.000 2.442 105 A HA 0.605 4.924 4.320 -0.001 0.000 0.284 105 A C -1.125 176.431 177.584 -0.047 0.000 1.058 105 A CA -0.337 51.670 52.037 -0.049 0.000 0.738 105 A CB 0.972 19.940 19.000 -0.054 0.000 1.242 105 A HN 1.419 nan 8.150 nan 0.000 0.421 106 V N 4.431 124.329 119.914 -0.028 0.000 2.432 106 V HA 0.452 4.572 4.120 -0.001 0.000 0.271 106 V C 0.237 176.339 176.094 0.014 0.000 1.046 106 V CA 0.113 62.411 62.300 -0.003 0.000 0.945 106 V CB 0.343 32.171 31.823 0.009 0.000 0.992 106 V HN 0.750 nan 8.190 nan 0.000 0.471 107 I N 1.959 122.559 120.570 0.051 0.000 2.730 107 I HA 0.957 5.127 4.170 -0.001 0.000 0.298 107 I C -0.203 176.001 176.117 0.145 0.000 1.089 107 I CA -1.057 60.291 61.300 0.079 0.000 1.041 107 I CB 2.493 40.537 38.000 0.073 0.000 1.235 107 I HN 0.516 nan 8.210 nan 0.000 0.423 108 A N 5.141 128.023 122.820 0.103 0.000 3.159 108 A HA 0.847 5.166 4.320 -0.001 0.000 0.330 108 A C -0.336 177.284 177.584 0.060 0.000 1.032 108 A CA 0.098 52.189 52.037 0.090 0.000 0.841 108 A CB 0.281 19.321 19.000 0.067 0.000 1.093 108 A HN 1.275 nan 8.150 nan 0.000 0.478 113 V N 0.783 120.719 119.914 0.036 0.000 3.129 113 V HA 0.558 4.677 4.120 -0.001 0.000 0.259 113 V C 2.489 178.602 176.094 0.032 0.000 1.116 113 V CA 2.530 64.843 62.300 0.021 0.000 1.127 113 V CB -1.064 30.765 31.823 0.009 0.000 0.742 113 V HN 1.432 nan 8.190 nan 0.000 0.474 114 A N 0.198 123.062 122.820 0.073 0.000 1.908 114 A HA -0.268 4.052 4.320 -0.001 0.000 0.218 114 A C 1.998 179.606 177.584 0.041 0.000 1.181 114 A CA 2.118 54.206 52.037 0.085 0.000 0.627 114 A CB -0.580 18.554 19.000 0.224 0.000 0.818 114 A HN 0.582 nan 8.150 nan 0.000 0.445 115 D N -0.129 120.298 120.400 0.045 0.000 2.117 115 D HA -0.029 4.611 4.640 -0.001 0.000 0.197 115 D C 2.209 178.513 176.300 0.007 0.000 0.987 115 D CA 1.527 55.541 54.000 0.025 0.000 0.829 115 D CB -0.325 40.490 40.800 0.025 0.000 0.961 115 D HN 0.417 nan 8.370 nan 0.000 0.460 116 A N -0.039 122.784 122.820 0.004 0.000 1.978 116 A HA -0.146 4.174 4.320 -0.001 0.000 0.220 116 A C 2.239 179.815 177.584 -0.014 0.000 1.170 116 A CA 0.981 53.014 52.037 -0.006 0.000 0.636 116 A CB -0.557 18.437 19.000 -0.010 0.000 0.810 116 A HN 0.228 nan 8.150 nan 0.000 0.448 117 I N -1.471 119.089 120.570 -0.016 0.000 2.270 117 I HA -0.102 4.068 4.170 -0.001 0.000 0.239 117 I C 2.785 178.885 176.117 -0.028 0.000 1.080 117 I CA 1.354 62.638 61.300 -0.027 0.000 1.383 117 I CB -0.624 37.354 38.000 -0.036 0.000 1.097 117 I HN 0.378 nan 8.210 nan 0.000 0.420 118 F N 0.533 120.466 119.950 -0.028 0.000 2.271 118 F HA -0.231 4.295 4.527 -0.001 0.000 0.302 118 F C 2.141 177.929 175.800 -0.021 0.000 1.063 118 F CA 2.115 60.096 58.000 -0.031 0.000 1.362 118 F CB -1.023 37.961 39.000 -0.027 0.000 1.060 118 F HN 0.339 nan 8.300 nan 0.000 0.521 119 Q N 0.127 119.918 119.800 -0.015 0.000 2.157 119 Q HA 0.168 4.507 4.340 -0.001 0.000 0.229 119 Q C 1.337 177.329 176.000 -0.013 0.000 0.827 119 Q CA 0.607 56.403 55.803 -0.011 0.000 1.055 119 Q CB -0.049 28.685 28.738 -0.006 0.000 1.157 119 Q HN 0.510 nan 8.270 nan 0.000 0.482 120 S N -1.929 113.761 115.700 -0.016 0.000 2.503 120 S HA 0.267 4.736 4.470 -0.001 0.000 0.217 120 S C 1.480 176.071 174.600 -0.015 0.000 0.999 120 S CA 0.298 58.488 58.200 -0.017 0.000 0.914 120 S CB 0.194 63.382 63.200 -0.021 0.000 0.782 120 S HN 0.740 nan 8.310 nan 0.000 0.520 121 G N 0.769 109.560 108.800 -0.015 0.000 2.160 121 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.244 121 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.244 121 G C -0.040 174.851 174.900 -0.015 0.000 1.022 121 G CA 0.316 45.408 45.100 -0.014 0.000 0.741 121 G HN 0.816 nan 8.290 nan 0.000 0.508 122 S N -0.830 114.858 115.700 -0.019 0.000 2.565 122 S HA 0.646 5.115 4.470 -0.001 0.000 0.290 122 S C 1.122 175.708 174.600 -0.023 0.000 1.150 122 S CA 0.495 58.683 58.200 -0.020 0.000 1.058 122 S CB 1.313 64.500 63.200 -0.022 0.000 1.032 122 S HN 1.389 nan 8.310 nan 0.000 0.510 123 G N 2.230 111.017 108.800 -0.022 0.000 3.581 123 G HA2 0.511 4.470 3.960 -0.001 0.000 0.255 123 G HA3 0.511 4.470 3.960 -0.001 0.000 0.255 123 G C -0.084 174.799 174.900 -0.029 0.000 1.121 123 G CA -0.144 44.941 45.100 -0.024 0.000 1.739 123 G HN 0.875 nan 8.290 nan 0.000 0.646 124 A N 1.262 124.061 122.820 -0.035 0.000 2.399 124 A HA 0.590 4.910 4.320 -0.001 0.000 0.327 124 A C 0.467 178.018 177.584 -0.055 0.000 1.367 124 A CA -0.887 51.125 52.037 -0.042 0.000 0.842 124 A CB 0.275 19.251 19.000 -0.040 0.000 1.142 124 A HN 0.459 nan 8.150 nan 0.000 0.495 125 R N 1.978 122.445 120.500 -0.056 0.000 2.483 125 R HA 0.223 4.563 4.340 -0.001 0.000 0.329 125 R C 0.098 176.342 176.300 -0.094 0.000 0.961 125 R CA 0.491 56.549 56.100 -0.070 0.000 1.041 125 R CB -0.357 29.907 30.300 -0.059 0.000 0.930 125 R HN 0.752 nan 8.270 nan 0.000 0.413 126 I N 6.449 126.939 120.570 -0.133 0.000 2.421 126 I HA 0.231 4.400 4.170 -0.001 0.000 0.291 126 I C 0.337 176.288 176.117 -0.276 0.000 1.089 126 I CA -0.095 61.085 61.300 -0.200 0.000 1.354 126 I CB -0.155 37.698 38.000 -0.245 0.000 1.413 126 I HN 0.678 nan 8.210 nan 0.000 0.513 127 I N 6.601 127.051 120.570 -0.201 0.000 2.339 127 I HA 0.421 4.591 4.170 -0.001 0.000 0.290 127 I C -0.256 175.797 176.117 -0.107 0.000 0.994 127 I CA -0.358 60.851 61.300 -0.151 0.000 1.191 127 I CB 0.986 38.956 38.000 -0.050 0.000 1.343 127 I HN 0.619 nan 8.210 nan 0.000 0.458 128 F N 5.261 125.226 119.950 0.024 0.000 2.495 128 F HA 0.014 4.541 4.527 -0.000 0.000 0.365 128 F C 1.242 177.060 175.800 0.030 0.000 1.090 128 F CA -0.574 57.440 58.000 0.025 0.000 1.235 128 F CB 0.908 39.925 39.000 0.028 0.000 1.119 128 F HN 0.494 nan 8.300 nan 0.000 0.562 129 L N 3.949 125.314 121.223 0.236 0.000 2.046 129 L HA -0.058 4.281 4.340 -0.001 0.000 0.208 129 L C 2.253 179.198 176.870 0.124 0.000 1.077 129 L CA 2.080 57.001 54.840 0.136 0.000 0.747 129 L CB -1.021 41.099 42.059 0.101 0.000 0.896 129 L HN 0.736 nan 8.230 nan 0.000 0.432 130 G N -1.681 107.193 108.800 0.123 0.000 2.776 130 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.209 130 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.209 130 G C 1.030 176.002 174.900 0.120 0.000 1.145 130 G CA 0.596 45.748 45.100 0.088 0.000 0.791 130 G HN 0.427 nan 8.290 nan 0.000 0.530 131 D N -0.090 120.419 120.400 0.181 0.000 2.348 131 D HA 0.099 4.738 4.640 -0.001 0.000 0.211 131 D C 2.285 178.727 176.300 0.236 0.000 0.998 131 D CA 0.165 54.298 54.000 0.222 0.000 0.873 131 D CB 0.536 41.489 40.800 0.256 0.000 0.925 131 D HN 0.342 nan 8.370 nan 0.000 0.524 132 L N -0.493 120.824 121.223 0.157 0.000 2.356 132 L HA 0.217 4.557 4.340 -0.001 0.000 0.193 132 L C 0.731 177.660 176.870 0.099 0.000 1.087 132 L CA 0.238 55.140 54.840 0.103 0.000 0.817 132 L CB 0.546 42.638 42.059 0.055 0.000 1.035 132 L HN -0.187 nan 8.230 nan 0.000 0.482 133 V N -0.083 119.883 119.914 0.086 0.000 3.087 133 V HA 0.583 4.703 4.120 -0.001 0.000 0.306 133 V C -1.627 174.506 176.094 0.064 0.000 1.187 133 V CA -0.520 61.822 62.300 0.071 0.000 0.999 133 V CB 2.619 34.472 31.823 0.050 0.000 1.049 133 V HN 0.383 nan 8.190 nan 0.000 0.431 134 R N 3.928 124.459 120.500 0.052 0.000 2.522 134 R HA 0.340 4.680 4.340 -0.001 0.000 0.273 134 R C -0.946 175.372 176.300 0.030 0.000 1.133 134 R CA -0.037 56.087 56.100 0.039 0.000 0.969 134 R CB 1.461 31.781 30.300 0.033 0.000 1.235 134 R HN 0.899 nan 8.270 nan 0.000 0.433 135 D N 3.358 123.774 120.400 0.026 0.000 2.708 135 D HA -0.228 4.411 4.640 -0.001 0.000 0.236 135 D C 0.689 177.002 176.300 0.022 0.000 1.146 135 D CA 2.097 56.109 54.000 0.021 0.000 0.662 135 D CB -0.678 40.130 40.800 0.014 0.000 1.059 135 D HN 1.083 nan 8.370 nan 0.000 0.428 136 G N -0.596 108.220 108.800 0.026 0.000 5.005 136 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.251 136 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.251 136 G C 0.322 175.238 174.900 0.028 0.000 1.536 136 G CA 0.901 46.016 45.100 0.024 0.000 1.060 136 G HN 0.953 nan 8.290 nan 0.000 0.683 137 E N 4.057 124.274 120.200 0.028 0.000 2.344 137 E HA 0.615 4.965 4.350 -0.001 0.000 0.270 137 E C -1.461 175.169 176.600 0.049 0.000 1.021 137 E CA -0.476 55.945 56.400 0.035 0.000 0.887 137 E CB 0.309 30.028 29.700 0.033 0.000 0.997 137 E HN 0.705 nan 8.360 nan 0.000 0.429 138 P HA 0.352 nan 4.420 nan 0.000 0.307 138 P C -1.188 176.204 177.300 0.154 0.000 1.307 138 P CA -0.776 62.375 63.100 0.085 0.000 0.814 138 P CB 0.664 32.392 31.700 0.048 0.000 1.311 139 Y N 0.761 121.060 120.300 -0.001 0.000 2.367 139 Y HA 0.456 5.006 4.550 -0.000 0.000 0.342 139 Y C -0.846 175.020 175.900 -0.058 0.000 0.979 139 Y CA -1.072 57.035 58.100 0.012 0.000 1.161 139 Y CB 0.067 38.555 38.460 0.047 0.000 1.155 139 Y HN 0.179 nan 8.280 nan 0.000 0.503 140 S N 7.736 123.473 115.700 0.061 0.000 2.502 140 S HA 0.774 5.244 4.470 -0.001 0.000 0.304 140 S C -1.464 173.062 174.600 -0.123 0.000 1.097 140 S CA -0.651 57.444 58.200 -0.176 0.000 1.045 140 S CB 1.278 64.455 63.200 -0.039 0.000 1.019 140 S HN 0.650 nan 8.310 nan 0.000 0.481 141 Y N -1.240 118.970 120.300 -0.150 0.000 2.725 141 Y HA 0.856 5.406 4.550 -0.001 0.000 0.333 141 Y C -0.010 175.850 175.900 -0.066 0.000 1.242 141 Y CA -0.685 57.362 58.100 -0.089 0.000 1.059 141 Y CB 0.479 38.878 38.460 -0.102 0.000 1.306 141 Y HN 1.252 nan 8.280 nan 0.000 0.454 142 G N 0.673 109.595 108.800 0.203 0.000 2.690 142 G HA2 0.157 4.116 3.960 -0.001 0.000 0.686 142 G HA3 0.157 4.116 3.960 -0.001 0.000 0.686 142 G C -3.307 171.615 174.900 0.038 0.000 1.277 142 G CA -0.985 44.183 45.100 0.114 0.000 0.799 142 G HN 0.640 nan 8.290 nan 0.000 0.613 143 P HA 0.439 nan 4.420 nan 0.000 0.284 143 P C -2.266 175.006 177.300 -0.047 0.000 1.253 143 P CA -1.410 61.684 63.100 -0.009 0.000 0.800 143 P CB 0.310 32.004 31.700 -0.009 0.000 0.961 144 P HA -0.027 nan 4.420 nan 0.000 0.256 144 P C 0.206 177.443 177.300 -0.104 0.000 1.173 144 P CA 0.455 63.516 63.100 -0.065 0.000 0.768 144 P CB -0.094 31.581 31.700 -0.043 0.000 0.758 145 I N 0.512 120.988 120.570 -0.156 0.000 3.156 145 I HA 0.410 4.579 4.170 -0.001 0.000 0.306 145 I C 0.664 176.677 176.117 -0.174 0.000 1.048 145 I CA -0.957 60.189 61.300 -0.255 0.000 1.207 145 I CB 0.660 38.387 38.000 -0.455 0.000 1.456 145 I HN 0.219 nan 8.210 nan 0.000 0.616 146 E N 2.322 122.416 120.200 -0.177 0.000 2.248 146 E HA 0.181 4.531 4.350 -0.001 0.000 0.272 146 E C -1.247 175.302 176.600 -0.084 0.000 1.008 146 E CA -0.560 55.778 56.400 -0.103 0.000 0.856 146 E CB 1.352 31.005 29.700 -0.078 0.000 1.120 146 E HN 0.626 nan 8.360 nan 0.000 0.397 147 D N 3.695 124.058 120.400 -0.061 0.000 2.346 147 D HA 0.182 4.822 4.640 -0.001 0.000 0.260 147 D C -1.858 174.414 176.300 -0.047 0.000 1.252 147 D CA -1.212 52.754 54.000 -0.057 0.000 0.895 147 D CB 0.524 41.297 40.800 -0.044 0.000 1.097 147 D HN 0.277 nan 8.370 nan 0.000 0.489 148 P HA 0.074 nan 4.420 nan 0.000 0.275 148 P C -0.316 176.965 177.300 -0.031 0.000 1.228 148 P CA -0.497 62.584 63.100 -0.033 0.000 0.786 148 P CB 0.725 32.407 31.700 -0.031 0.000 0.927 149 Q N 2.172 121.961 119.800 -0.018 0.000 2.315 149 Q HA 0.049 4.388 4.340 -0.001 0.000 0.289 149 Q C -0.391 175.602 176.000 -0.011 0.000 1.044 149 Q CA 0.931 56.727 55.803 -0.012 0.000 0.920 149 Q CB 0.309 29.042 28.738 -0.007 0.000 1.214 149 Q HN 0.280 nan 8.270 nan 0.000 0.392 150 R N 3.256 123.755 120.500 -0.002 0.000 2.476 150 R HA 0.313 4.653 4.340 -0.001 0.000 0.305 150 R C -0.879 175.431 176.300 0.016 0.000 0.965 150 R CA -0.885 55.220 56.100 0.009 0.000 0.867 150 R CB 1.425 31.740 30.300 0.025 0.000 1.176 150 R HN 0.562 nan 8.270 nan 0.000 0.447 151 E N 3.428 123.635 120.200 0.011 0.000 2.301 151 E HA 0.125 4.474 4.350 -0.001 0.000 0.275 151 E C -1.654 174.954 176.600 0.014 0.000 1.030 151 E CA -2.444 53.961 56.400 0.008 0.000 0.852 151 E CB 0.961 30.660 29.700 -0.001 0.000 1.060 151 E HN 0.263 nan 8.360 nan 0.000 0.401 152 P HA -0.208 nan 4.420 nan 0.000 0.215 152 P C 0.741 178.040 177.300 -0.001 0.000 1.163 152 P CA 2.026 65.131 63.100 0.009 0.000 0.894 152 P CB 0.229 31.928 31.700 -0.001 0.000 0.791 153 A N -1.099 121.714 122.820 -0.013 0.000 2.208 153 A HA -0.062 4.258 4.320 -0.001 0.000 0.209 153 A C 1.362 178.935 177.584 -0.019 0.000 1.161 153 A CA -0.038 51.985 52.037 -0.025 0.000 0.782 153 A CB -1.050 17.927 19.000 -0.039 0.000 0.816 153 A HN 0.212 nan 8.150 nan 0.000 0.477 154 Q N 0.908 120.704 119.800 -0.007 0.000 2.349 154 Q HA 0.084 4.424 4.340 -0.001 0.000 0.287 154 Q C -2.433 173.566 176.000 -0.000 0.000 1.044 154 Q CA -1.538 54.261 55.803 -0.006 0.000 0.918 154 Q CB 0.422 29.159 28.738 -0.002 0.000 1.242 154 Q HN 0.149 nan 8.270 nan 0.000 0.405 155 P HA -0.046 nan 4.420 nan 0.000 0.268 155 P C -1.064 176.225 177.300 -0.018 0.000 1.208 155 P CA 0.515 63.613 63.100 -0.004 0.000 0.777 155 P CB 0.876 32.567 31.700 -0.016 0.000 0.875 156 A N 1.223 124.035 122.820 -0.014 0.000 1.895 156 A HA 0.448 4.768 4.320 -0.001 0.000 0.198 156 A C -0.290 176.956 177.584 -0.565 0.000 1.709 156 A CA 0.610 52.536 52.037 -0.184 0.000 1.194 156 A CB 0.247 19.263 19.000 0.026 0.000 1.260 156 A HN 0.432 nan 8.150 nan 0.000 0.441 157 F N -1.402 118.613 119.950 0.110 0.000 2.693 157 F HA 0.654 5.180 4.527 -0.000 0.000 0.309 157 F C -0.872 174.967 175.800 0.066 0.000 1.129 157 F CA -0.675 57.352 58.000 0.045 0.000 0.948 157 F CB 1.636 40.749 39.000 0.189 0.000 1.315 157 F HN -0.093 nan 8.300 nan 0.000 0.447 158 I N 2.110 122.720 120.570 0.067 0.000 2.512 158 I HA 0.421 4.591 4.170 -0.001 0.000 0.287 158 I C -1.433 174.556 176.117 -0.213 0.000 1.069 158 I CA -0.290 61.006 61.300 -0.006 0.000 1.056 158 I CB 1.677 39.642 38.000 -0.058 0.000 1.229 158 I HN 0.377 nan 8.210 nan 0.000 0.429 159 F N 4.670 124.584 119.950 -0.059 0.000 2.598 159 F HA 0.580 5.107 4.527 -0.001 0.000 0.327 159 F C -0.723 174.978 175.800 -0.166 0.000 1.057 159 F CA -0.677 57.330 58.000 0.012 0.000 0.957 159 F CB 1.710 40.708 39.000 -0.004 0.000 1.278 159 F HN 0.168 nan 8.300 nan 0.000 0.484 160 Y N 0.078 120.480 120.300 0.170 0.000 2.393 160 Y HA 0.406 4.956 4.550 -0.000 0.000 0.341 160 Y C 0.775 176.714 175.900 0.065 0.000 0.988 160 Y CA -0.722 57.434 58.100 0.093 0.000 1.078 160 Y CB 1.981 40.463 38.460 0.037 0.000 1.203 160 Y HN 0.628 nan 8.280 nan 0.000 0.453 161 T N -1.495 113.141 114.554 0.137 0.000 3.587 161 T HA 0.513 4.863 4.350 -0.001 0.000 0.221 161 T C 0.183 174.919 174.700 0.060 0.000 0.921 161 T CA 0.349 62.489 62.100 0.068 0.000 1.426 161 T CB -0.057 68.824 68.868 0.021 0.000 1.340 161 T HN 0.969 nan 8.240 nan 0.000 0.423 166 G N 1.846 110.638 108.800 -0.014 0.000 3.229 166 G HA2 0.558 4.517 3.960 -0.001 0.000 0.165 166 G HA3 0.558 4.517 3.960 -0.001 0.000 0.165 166 G C -0.089 174.805 174.900 -0.009 0.000 1.753 166 G CA -0.539 44.555 45.100 -0.010 0.000 1.054 166 G HN 0.652 nan 8.290 nan 0.000 0.544 167 L N 2.411 123.630 121.223 -0.006 0.000 2.461 167 L HA 0.183 4.523 4.340 -0.001 0.000 0.272 167 L C -1.513 175.365 176.870 0.013 0.000 1.197 167 L CA -1.211 53.632 54.840 0.004 0.000 0.836 167 L CB 0.741 42.805 42.059 0.010 0.000 1.105 167 L HN 0.294 nan 8.230 nan 0.000 0.477 168 P HA 0.043 nan 4.420 nan 0.000 0.264 168 P C -1.143 176.228 177.300 0.118 0.000 1.193 168 P CA -0.029 63.121 63.100 0.084 0.000 0.763 168 P CB 0.323 32.111 31.700 0.147 0.000 0.810 169 K N 1.653 122.044 120.400 -0.015 0.000 2.126 169 K HA 0.576 4.895 4.320 -0.001 0.000 0.257 169 K C 0.244 176.806 176.600 -0.064 0.000 1.007 169 K CA -0.648 55.578 56.287 -0.102 0.000 0.928 169 K CB 0.640 32.812 32.500 -0.548 0.000 1.013 169 K HN 0.405 nan 8.250 nan 0.000 0.473 170 A N 1.343 124.120 122.820 -0.072 0.000 2.322 170 A HA 0.576 4.895 4.320 -0.001 0.000 0.327 170 A C -0.487 177.086 177.584 -0.019 0.000 1.394 170 A CA -0.729 51.061 52.037 -0.412 0.000 0.921 170 A CB 0.157 18.907 19.000 -0.417 0.000 1.153 170 A HN 0.685 nan 8.150 nan 0.000 0.523 171 A N 3.548 126.365 122.820 -0.005 0.000 2.309 171 A HA 0.623 4.943 4.320 -0.001 0.000 0.290 171 A C -0.055 177.611 177.584 0.138 0.000 1.206 171 A CA -0.338 51.789 52.037 0.149 0.000 0.850 171 A CB -0.120 18.873 19.000 -0.012 0.000 1.118 171 A HN 0.760 nan 8.150 nan 0.000 0.523 172 I N 3.839 124.507 120.570 0.163 0.000 2.352 172 I HA 0.166 4.336 4.170 -0.001 0.000 0.290 172 I C -0.475 175.729 176.117 0.144 0.000 1.036 172 I CA -0.339 61.025 61.300 0.108 0.000 1.336 172 I CB 0.820 38.836 38.000 0.026 0.000 1.407 172 I HN 0.390 nan 8.210 nan 0.000 0.497 173 I N 9.199 129.894 120.570 0.208 0.000 2.307 173 I HA 0.318 4.487 4.170 -0.001 0.000 0.289 173 I C -1.958 174.266 176.117 0.178 0.000 1.021 173 I CA -2.822 58.603 61.300 0.209 0.000 1.224 173 I CB 0.609 38.824 38.000 0.359 0.000 1.376 173 I HN 0.260 nan 8.210 nan 0.000 0.470 174 P HA 0.124 nan 4.420 nan 0.000 0.274 174 P C 0.412 177.765 177.300 0.089 0.000 1.246 174 P CA -0.313 62.817 63.100 0.050 0.000 0.795 174 P CB 1.100 32.794 31.700 -0.010 0.000 1.006 175 Q N 1.371 121.222 119.800 0.085 0.000 2.112 175 Q HA -0.199 4.141 4.340 -0.001 0.000 0.206 175 Q C 2.000 178.057 176.000 0.095 0.000 0.987 175 Q CA 1.933 57.812 55.803 0.127 0.000 0.858 175 Q CB -0.549 28.252 28.738 0.104 0.000 0.905 175 Q HN 0.619 nan 8.270 nan 0.000 0.420 176 R N 0.119 120.639 120.500 0.034 0.000 2.339 176 R HA 0.146 4.485 4.340 -0.001 0.000 0.199 176 R C 1.688 177.954 176.300 -0.057 0.000 1.018 176 R CA 0.885 56.984 56.100 -0.002 0.000 1.036 176 R CB -0.131 30.158 30.300 -0.019 0.000 0.899 176 R HN 0.099 nan 8.270 nan 0.000 0.473 177 A N 0.979 123.754 122.820 -0.076 0.000 2.072 177 A HA 0.260 4.579 4.320 -0.001 0.000 0.216 177 A C 2.363 179.763 177.584 -0.306 0.000 1.156 177 A CA 0.657 52.574 52.037 -0.199 0.000 0.701 177 A CB -0.257 18.615 19.000 -0.212 0.000 0.816 177 A HN 0.477 nan 8.150 nan 0.000 0.458 178 A N 0.209 122.927 122.820 -0.169 0.000 1.892 178 A HA -0.246 4.074 4.320 -0.001 0.000 0.218 178 A C 1.983 179.494 177.584 -0.122 0.000 1.188 178 A CA 1.907 53.865 52.037 -0.132 0.000 0.631 178 A CB -0.525 18.573 19.000 0.163 0.000 0.822 178 A HN 0.616 nan 8.150 nan 0.000 0.447 179 E N -0.197 119.951 120.200 -0.086 0.000 2.015 179 E HA -0.156 4.194 4.350 -0.001 0.000 0.191 179 E C 2.398 178.925 176.600 -0.122 0.000 0.991 179 E CA 1.551 57.922 56.400 -0.050 0.000 0.802 179 E CB -0.107 29.585 29.700 -0.013 0.000 0.759 179 E HN 0.778 nan 8.360 nan 0.000 0.447 180 S N 0.306 115.802 115.700 -0.340 0.000 2.423 180 S HA -0.093 4.377 4.470 -0.001 0.000 0.231 180 S C 1.819 176.229 174.600 -0.318 0.000 1.014 180 S CA 0.586 58.342 58.200 -0.741 0.000 0.965 180 S CB -0.220 62.079 63.200 -1.501 0.000 0.785 180 S HN 0.156 nan 8.310 nan 0.000 0.495 181 R N 0.214 120.557 120.500 -0.262 0.000 2.237 181 R HA 0.134 4.473 4.340 -0.001 0.000 0.219 181 R C 1.657 178.075 176.300 0.196 0.000 1.080 181 R CA 0.886 56.913 56.100 -0.122 0.000 0.995 181 R CB -0.215 29.733 30.300 -0.586 0.000 0.875 181 R HN 0.369 nan 8.270 nan 0.000 0.462 182 V N -0.020 119.949 119.914 0.092 0.000 2.581 182 V HA -0.041 4.079 4.120 -0.001 0.000 0.240 182 V C 1.810 177.916 176.094 0.020 0.000 1.054 182 V CA 0.878 63.216 62.300 0.064 0.000 1.076 182 V CB -0.002 31.844 31.823 0.039 0.000 0.748 182 V HN 0.233 nan 8.190 nan 0.000 0.474 183 L N 0.425 121.720 121.223 0.119 0.000 2.465 183 L HA -0.079 4.260 4.340 -0.001 0.000 0.224 183 L C 2.320 179.336 176.870 0.242 0.000 1.145 183 L CA 1.130 56.071 54.840 0.167 0.000 0.834 183 L CB -0.466 41.773 42.059 0.300 0.000 0.944 183 L HN 0.583 nan 8.230 nan 0.000 0.451 184 F N -1.792 118.320 119.950 0.271 0.000 2.407 184 F HA -0.118 4.409 4.527 -0.000 0.000 0.299 184 F C 2.249 178.093 175.800 0.073 0.000 1.097 184 F CA 0.660 58.814 58.000 0.257 0.000 1.422 184 F CB -0.472 38.674 39.000 0.244 0.000 1.067 184 F HN -0.057 nan 8.300 nan 0.000 0.539 185 M N 0.653 119.627 119.600 -1.043 0.000 2.279 185 M HA -0.146 4.334 4.480 -0.001 0.000 0.264 185 M C 2.428 178.513 176.300 -0.359 0.000 1.062 185 M CA 1.518 56.361 55.300 -0.762 0.000 1.099 185 M CB -1.324 30.930 32.600 -0.578 0.000 1.394 185 M HN 0.526 nan 8.290 nan 0.000 0.426 186 S N -0.266 115.296 115.700 -0.229 0.000 2.398 186 S HA -0.069 4.400 4.470 -0.001 0.000 0.220 186 S C 2.002 176.521 174.600 -0.135 0.000 1.046 186 S CA 1.514 59.624 58.200 -0.149 0.000 0.953 186 S CB -0.317 62.828 63.200 -0.092 0.000 0.856 186 S HN 0.575 nan 8.310 nan 0.000 0.506 187 T N -0.676 113.798 114.554 -0.133 0.000 2.788 187 T HA -0.045 4.305 4.350 -0.001 0.000 0.268 187 T C 1.827 176.426 174.700 -0.167 0.000 1.044 187 T CA 1.392 63.380 62.100 -0.187 0.000 1.139 187 T CB -0.402 68.284 68.868 -0.303 0.000 0.867 187 T HN 0.324 nan 8.240 nan 0.000 0.454 188 Q N 0.246 119.935 119.800 -0.185 0.000 2.178 188 Q HA 0.348 4.687 4.340 -0.001 0.000 0.195 188 Q C 2.500 178.418 176.000 -0.136 0.000 0.960 188 Q CA 0.842 56.421 55.803 -0.373 0.000 0.843 188 Q CB -0.364 28.109 28.738 -0.442 0.000 0.927 188 Q HN 0.414 nan 8.270 nan 0.000 0.487 189 V N -0.788 119.044 119.914 -0.136 0.000 3.235 189 V HA 0.160 4.279 4.120 -0.001 0.000 0.259 189 V C 1.058 177.104 176.094 -0.078 0.000 1.133 189 V CA 1.155 63.396 62.300 -0.098 0.000 1.128 189 V CB -0.042 31.662 31.823 -0.198 0.000 0.757 189 V HN 0.618 nan 8.190 nan 0.000 0.469 190 G N 0.263 109.002 108.800 -0.101 0.000 2.131 190 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.223 190 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.223 190 G C 0.039 174.873 174.900 -0.112 0.000 0.990 190 G CA -0.114 44.966 45.100 -0.032 0.000 0.671 190 G HN 0.386 nan 8.290 nan 0.000 0.521 191 L N 0.711 121.784 121.223 -0.251 0.000 2.397 191 L HA 0.518 4.858 4.340 -0.001 0.000 0.271 191 L C 1.311 178.146 176.870 -0.058 0.000 1.148 191 L CA -0.280 54.428 54.840 -0.220 0.000 0.825 191 L CB 0.597 42.500 42.059 -0.260 0.000 1.117 191 L HN 0.501 nan 8.230 nan 0.000 0.456 192 R N 1.134 121.661 120.500 0.045 0.000 2.919 192 R HA 0.415 4.755 4.340 -0.001 0.000 0.260 192 R C -0.272 176.112 176.300 0.141 0.000 1.067 192 R CA -0.962 55.190 56.100 0.087 0.000 1.003 192 R CB 1.274 31.630 30.300 0.093 0.000 1.192 192 R HN 0.552 nan 8.270 nan 0.000 0.488 193 H N -0.023 119.079 119.070 0.053 0.000 2.928 193 H HA 0.323 4.879 4.556 -0.001 0.000 0.338 193 H C -0.427 174.989 175.328 0.145 0.000 1.047 193 H CA 1.543 57.623 56.048 0.052 0.000 1.435 193 H CB 0.691 30.460 29.762 0.013 0.000 1.428 193 H HN 0.880 nan 8.280 nan 0.000 0.590 194 G N 4.304 112.748 108.800 -0.594 0.000 2.368 194 G HA2 -0.005 3.955 3.960 -0.001 0.000 0.301 194 G HA3 -0.005 3.955 3.960 -0.001 0.000 0.301 194 G C 0.182 174.955 174.900 -0.211 0.000 1.640 194 G CA -0.748 44.172 45.100 -0.300 0.000 0.941 194 G HN 0.608 nan 8.290 nan 0.000 0.695 195 R N 0.393 120.760 120.500 -0.222 0.000 2.285 195 R HA -0.080 4.259 4.340 -0.001 0.000 0.213 195 R C 1.941 178.177 176.300 -0.106 0.000 1.068 195 R CA 1.239 57.097 56.100 -0.404 0.000 1.004 195 R CB -0.171 29.767 30.300 -0.603 0.000 0.873 195 R HN 0.794 nan 8.270 nan 0.000 0.467 196 H N 0.050 119.052 119.070 -0.113 0.000 2.521 196 H HA 0.059 4.614 4.556 -0.001 0.000 0.286 196 H C 0.174 175.511 175.328 0.015 0.000 1.034 196 H CA 0.140 56.177 56.048 -0.019 0.000 1.278 196 H CB -0.525 29.227 29.762 -0.015 0.000 1.386 196 H HN -0.041 nan 8.280 nan 0.000 0.567 197 N N 1.502 119.830 118.700 -0.619 0.000 2.452 197 N HA 0.095 4.834 4.740 -0.001 0.000 0.266 197 N C -0.953 174.483 175.510 -0.123 0.000 1.209 197 N CA 0.162 52.947 53.050 -0.442 0.000 0.929 197 N CB 1.521 39.769 38.487 -0.400 0.000 1.063 197 N HN 0.040 nan 8.380 nan 0.000 0.472 198 V N 3.734 123.604 119.914 -0.074 0.000 2.447 198 V HA 0.246 4.365 4.120 -0.001 0.000 0.292 198 V C -0.125 175.954 176.094 -0.024 0.000 1.021 198 V CA -0.746 61.541 62.300 -0.021 0.000 0.850 198 V CB 1.958 33.780 31.823 -0.002 0.000 1.005 198 V HN 0.226 nan 8.190 nan 0.000 0.426 199 V N 6.030 125.927 119.914 -0.028 0.000 2.417 199 V HA 0.475 4.595 4.120 -0.001 0.000 0.291 199 V C -0.312 175.716 176.094 -0.111 0.000 1.024 199 V CA -0.673 61.612 62.300 -0.025 0.000 0.861 199 V CB 1.876 33.717 31.823 0.031 0.000 0.985 199 V HN 0.669 nan 8.190 nan 0.000 0.436 200 L N 4.703 125.873 121.223 -0.089 0.000 2.265 200 L HA 0.668 5.008 4.340 -0.001 0.000 0.288 200 L C 0.997 177.745 176.870 -0.204 0.000 1.058 200 L CA 0.341 55.084 54.840 -0.162 0.000 0.809 200 L CB 1.142 43.158 42.059 -0.072 0.000 1.179 200 L HN 0.702 nan 8.230 nan 0.000 0.429 201 G N 6.042 114.570 108.800 -0.452 0.000 3.102 201 G HA2 0.200 4.159 3.960 -0.001 0.000 0.264 201 G HA3 0.200 4.159 3.960 -0.001 0.000 0.264 201 G C 0.772 175.615 174.900 -0.094 0.000 0.788 201 G CA -0.229 44.670 45.100 -0.335 0.000 2.029 201 G HN 0.756 nan 8.290 nan 0.000 0.608 202 L N 0.419 121.611 121.223 -0.051 0.000 2.307 202 L HA 0.206 4.545 4.340 -0.001 0.000 0.211 202 L C 1.349 178.214 176.870 -0.008 0.000 1.099 202 L CA 0.326 55.124 54.840 -0.069 0.000 0.816 202 L CB -0.149 41.818 42.059 -0.154 0.000 0.952 202 L HN 0.331 nan 8.230 nan 0.000 0.455 203 M N 0.821 120.428 119.600 0.010 0.000 2.211 203 M HA 0.287 4.767 4.480 -0.001 0.000 0.356 203 M C -2.189 174.067 176.300 -0.073 0.000 1.216 203 M CA -2.140 53.132 55.300 -0.046 0.000 1.134 203 M CB 0.502 33.005 32.600 -0.162 0.000 1.564 203 M HN -0.291 nan 8.290 nan 0.000 0.463 204 P HA 0.130 nan 4.420 nan 0.000 0.269 204 P C 0.649 177.776 177.300 -0.289 0.000 1.215 204 P CA -0.153 62.759 63.100 -0.313 0.000 0.780 204 P CB 0.534 31.732 31.700 -0.836 0.000 0.898 205 L N 1.374 122.517 121.223 -0.133 0.000 2.291 205 L HA -0.109 4.230 4.340 -0.001 0.000 0.214 205 L C 1.816 178.737 176.870 0.085 0.000 1.120 205 L CA 1.047 55.908 54.840 0.035 0.000 0.799 205 L CB -0.848 41.271 42.059 0.100 0.000 0.925 205 L HN 0.517 nan 8.230 nan 0.000 0.446 206 Y N -2.966 117.430 120.300 0.161 0.000 2.578 206 Y HA 0.124 4.674 4.550 -0.001 0.000 0.297 206 Y C 1.085 177.196 175.900 0.351 0.000 1.176 206 Y CA -0.383 57.802 58.100 0.142 0.000 1.315 206 Y CB -0.809 37.684 38.460 0.056 0.000 1.031 206 Y HN 0.062 nan 8.280 nan 0.000 0.524 207 H N 1.466 120.579 119.070 0.070 0.000 2.472 207 H HA 0.224 4.780 4.556 -0.000 0.000 0.338 207 H C 1.297 176.631 175.328 0.011 0.000 1.133 207 H CA -0.099 56.006 56.048 0.095 0.000 1.216 207 H CB 2.547 32.231 29.762 -0.130 0.000 1.497 207 H HN 0.154 nan 8.280 nan 0.000 0.500 208 V N 3.182 122.891 119.914 -0.341 0.000 2.380 208 V HA -0.190 3.929 4.120 -0.001 0.000 0.251 208 V C 1.924 178.046 176.094 0.046 0.000 1.063 208 V CA 1.695 63.738 62.300 -0.428 0.000 1.055 208 V CB -1.178 30.346 31.823 -0.499 0.000 0.657 208 V HN 0.447 nan 8.190 nan 0.000 0.455 209 V N 1.804 121.884 119.914 0.276 0.000 2.307 209 V HA -0.040 4.080 4.120 -0.001 0.000 0.245 209 V C 2.967 178.973 176.094 -0.147 0.000 1.045 209 V CA 2.235 64.492 62.300 -0.071 0.000 1.024 209 V CB -1.467 30.058 31.823 -0.497 0.000 0.651 209 V HN 0.636 nan 8.190 nan 0.000 0.449 210 G N -1.269 107.476 108.800 -0.091 0.000 2.462 210 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.220 210 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.220 210 G C 1.497 176.392 174.900 -0.008 0.000 1.121 210 G CA 1.092 46.150 45.100 -0.070 0.000 0.758 210 G HN 0.493 nan 8.290 nan 0.000 0.559 211 F N -0.095 119.755 119.950 -0.166 0.000 2.222 211 F HA 0.344 4.870 4.527 -0.001 0.000 0.285 211 F C 2.226 177.760 175.800 -0.443 0.000 1.068 211 F CA 0.419 58.220 58.000 -0.332 0.000 1.265 211 F CB -0.070 38.700 39.000 -0.382 0.000 1.087 211 F HN 0.086 nan 8.300 nan 0.000 0.511 212 F N 0.249 120.054 119.950 -0.242 0.000 2.118 212 F HA 0.071 4.598 4.527 -0.001 0.000 0.293 212 F C 2.529 178.203 175.800 -0.210 0.000 1.102 212 F CA 1.220 59.036 58.000 -0.306 0.000 1.247 212 F CB -0.975 37.932 39.000 -0.154 0.000 1.017 212 F HN 0.028 nan 8.300 nan 0.000 0.475 213 A N -0.694 122.177 122.820 0.085 0.000 2.021 213 A HA 0.105 4.425 4.320 -0.001 0.000 0.216 213 A C 1.914 179.484 177.584 -0.023 0.000 1.163 213 A CA 1.135 53.202 52.037 0.049 0.000 0.676 213 A CB -0.659 18.446 19.000 0.175 0.000 0.818 213 A HN 0.158 nan 8.150 nan 0.000 0.453 214 V N -0.857 119.023 119.914 -0.057 0.000 2.906 214 V HA 0.031 4.151 4.120 -0.001 0.000 0.221 214 V C 2.121 178.208 176.094 -0.011 0.000 1.147 214 V CA 0.822 63.131 62.300 0.015 0.000 1.235 214 V CB -1.134 30.726 31.823 0.062 0.000 1.000 214 V HN 0.449 nan 8.190 nan 0.000 0.510 215 L N 0.640 121.757 121.223 -0.175 0.000 1.941 215 L HA -0.197 4.143 4.340 -0.001 0.000 0.224 215 L C 2.349 178.969 176.870 -0.417 0.000 1.081 215 L CA 2.447 56.970 54.840 -0.528 0.000 0.784 215 L CB -0.706 40.884 42.059 -0.781 0.000 0.894 215 L HN 0.172 nan 8.230 nan 0.000 0.436 216 V N 0.270 119.845 119.914 -0.566 0.000 2.252 216 V HA -0.374 3.746 4.120 -0.001 0.000 0.249 216 V C 2.799 178.785 176.094 -0.179 0.000 1.056 216 V CA 2.034 64.083 62.300 -0.419 0.000 1.022 216 V CB -1.730 29.776 31.823 -0.528 0.000 0.641 216 V HN 0.713 nan 8.190 nan 0.000 0.445 217 A N 0.237 122.978 122.820 -0.132 0.000 1.884 217 A HA -0.281 4.039 4.320 -0.001 0.000 0.219 217 A C 2.469 180.026 177.584 -0.044 0.000 1.197 217 A CA 2.993 54.988 52.037 -0.071 0.000 0.637 217 A CB -1.141 17.810 19.000 -0.082 0.000 0.827 217 A HN 0.677 nan 8.150 nan 0.000 0.450 218 A N -0.627 122.178 122.820 -0.026 0.000 1.883 218 A HA -0.090 4.229 4.320 -0.001 0.000 0.217 218 A C 2.232 179.843 177.584 0.046 0.000 1.186 218 A CA 1.713 53.765 52.037 0.024 0.000 0.624 218 A CB -0.635 18.440 19.000 0.124 0.000 0.822 218 A HN 0.511 nan 8.150 nan 0.000 0.444 219 L N -1.125 120.111 121.223 0.021 0.000 2.044 219 L HA -0.115 4.225 4.340 -0.001 0.000 0.205 219 L C 3.008 179.981 176.870 0.172 0.000 1.075 219 L CA 1.010 55.909 54.840 0.098 0.000 0.747 219 L CB -0.537 41.509 42.059 -0.023 0.000 0.903 219 L HN 0.415 nan 8.230 nan 0.000 0.435 220 A N -0.287 122.574 122.820 0.069 0.000 2.121 220 A HA -0.032 4.287 4.320 -0.001 0.000 0.218 220 A C 1.931 179.567 177.584 0.085 0.000 1.154 220 A CA 0.920 53.004 52.037 0.078 0.000 0.679 220 A CB -0.469 18.558 19.000 0.046 0.000 0.795 220 A HN 0.401 nan 8.150 nan 0.000 0.458 221 L N -0.434 120.816 121.223 0.045 0.000 2.653 221 L HA 0.098 4.438 4.340 -0.001 0.000 0.232 221 L C -0.349 176.438 176.870 -0.138 0.000 1.169 221 L CA -0.143 54.697 54.840 0.000 0.000 0.951 221 L CB -0.263 41.766 42.059 -0.051 0.000 1.181 221 L HN 0.225 nan 8.230 nan 0.000 0.460 222 D N -0.181 120.190 120.400 -0.048 0.000 2.870 222 D HA -0.152 4.488 4.640 -0.001 0.000 0.228 222 D C 0.670 176.918 176.300 -0.087 0.000 1.147 222 D CA 1.135 55.029 54.000 -0.177 0.000 0.757 222 D CB -1.127 39.485 40.800 -0.313 0.000 1.091 222 D HN 0.523 nan 8.370 nan 0.000 0.429 223 G N -1.456 107.396 108.800 0.086 0.000 2.857 223 G HA2 0.688 4.648 3.960 -0.001 0.000 0.217 223 G HA3 0.688 4.648 3.960 -0.001 0.000 0.217 223 G C -0.425 174.643 174.900 0.281 0.000 1.357 223 G CA -0.198 44.974 45.100 0.121 0.000 1.033 223 G HN 0.090 nan 8.290 nan 0.000 0.571 224 T N -0.299 114.354 114.554 0.165 0.000 2.841 224 T HA 0.367 4.716 4.350 -0.001 0.000 0.285 224 T C -1.611 173.145 174.700 0.093 0.000 0.991 224 T CA -0.128 62.042 62.100 0.116 0.000 0.966 224 T CB 1.529 70.432 68.868 0.057 0.000 0.962 224 T HN 0.371 nan 8.240 nan 0.000 0.438 225 Y N 3.647 123.926 120.300 -0.036 0.000 2.367 225 Y HA 0.508 5.058 4.550 -0.000 0.000 0.342 225 Y C -0.533 175.346 175.900 -0.034 0.000 0.979 225 Y CA -0.849 57.225 58.100 -0.043 0.000 1.161 225 Y CB 0.555 38.977 38.460 -0.063 0.000 1.155 225 Y HN 0.403 nan 8.280 nan 0.000 0.503 226 V N 7.887 127.499 119.914 -0.504 0.000 2.368 226 V HA 0.165 4.285 4.120 -0.001 0.000 0.266 226 V C -0.135 175.617 176.094 -0.571 0.000 1.045 226 V CA -0.872 61.198 62.300 -0.383 0.000 0.899 226 V CB 0.627 32.311 31.823 -0.232 0.000 1.006 226 V HN 0.583 nan 8.190 nan 0.000 0.470 227 V N 6.167 125.903 119.914 -0.295 0.000 2.572 227 V HA 0.202 4.321 4.120 -0.001 0.000 0.291 227 V C 0.182 176.220 176.094 -0.095 0.000 1.039 227 V CA -0.043 62.178 62.300 -0.132 0.000 1.055 227 V CB 1.382 33.242 31.823 0.062 0.000 0.969 227 V HN 0.616 nan 8.190 nan 0.000 0.482 228 V N 5.151 125.034 119.914 -0.051 0.000 2.380 228 V HA 0.303 4.422 4.120 -0.001 0.000 0.286 228 V C 0.777 176.894 176.094 0.039 0.000 1.015 228 V CA -0.503 61.789 62.300 -0.013 0.000 0.834 228 V CB 1.287 33.099 31.823 -0.019 0.000 1.009 228 V HN 0.994 nan 8.190 nan 0.000 0.428 229 E N 2.921 123.145 120.200 0.039 0.000 2.285 229 E HA 0.071 4.420 4.350 -0.001 0.000 0.194 229 E C 0.474 177.115 176.600 0.069 0.000 0.997 229 E CA 0.369 56.803 56.400 0.057 0.000 0.845 229 E CB 1.133 30.860 29.700 0.044 0.000 0.782 229 E HN 0.727 nan 8.360 nan 0.000 0.491 230 E N 0.215 120.453 120.200 0.063 0.000 2.347 230 E HA 0.159 4.509 4.350 -0.001 0.000 0.285 230 E C -1.817 174.836 176.600 0.088 0.000 0.925 230 E CA -0.528 55.921 56.400 0.082 0.000 0.779 230 E CB 1.559 31.287 29.700 0.046 0.000 1.233 230 E HN -0.041 nan 8.360 nan 0.000 0.414 231 F N 4.327 124.266 119.950 -0.018 0.000 2.424 231 F HA 0.485 5.012 4.527 -0.000 0.000 0.356 231 F C -0.787 174.993 175.800 -0.032 0.000 1.110 231 F CA -0.164 57.796 58.000 -0.066 0.000 1.161 231 F CB 0.486 39.405 39.000 -0.135 0.000 1.115 231 F HN 0.326 nan 8.300 nan 0.000 0.507 232 R N 7.812 127.798 120.500 -0.857 0.000 2.483 232 R HA 0.300 4.639 4.340 -0.001 0.000 0.303 232 R C -2.071 173.691 176.300 -0.897 0.000 0.987 232 R CA -1.719 53.887 56.100 -0.823 0.000 0.881 232 R CB 1.327 31.413 30.300 -0.358 0.000 1.177 232 R HN 0.352 nan 8.270 nan 0.000 0.451 233 P HA -0.258 nan 4.420 nan 0.000 0.214 233 P C 1.215 178.398 177.300 -0.195 0.000 1.169 233 P CA 1.178 64.028 63.100 -0.416 0.000 0.908 233 P CB 0.254 31.860 31.700 -0.158 0.000 0.791 234 V N 0.843 120.654 119.914 -0.171 0.000 2.287 234 V HA -0.259 3.860 4.120 -0.001 0.000 0.248 234 V C 2.551 178.580 176.094 -0.109 0.000 1.053 234 V CA 2.532 64.767 62.300 -0.109 0.000 1.027 234 V CB -1.587 30.182 31.823 -0.090 0.000 0.646 234 V HN 0.153 nan 8.190 nan 0.000 0.447 235 D N -0.147 120.166 120.400 -0.146 0.000 2.123 235 D HA -0.176 4.463 4.640 -0.001 0.000 0.196 235 D C 2.065 178.308 176.300 -0.094 0.000 0.992 235 D CA 1.610 55.540 54.000 -0.116 0.000 0.833 235 D CB -0.152 40.567 40.800 -0.134 0.000 0.954 235 D HN 0.410 nan 8.370 nan 0.000 0.455 236 A N 0.201 122.951 122.820 -0.116 0.000 1.858 236 A HA -0.089 4.230 4.320 -0.001 0.000 0.216 236 A C 2.434 180.007 177.584 -0.017 0.000 1.190 236 A CA 1.133 53.143 52.037 -0.044 0.000 0.617 236 A CB -0.971 18.043 19.000 0.023 0.000 0.827 236 A HN 0.376 nan 8.150 nan 0.000 0.443 237 L N -0.997 120.215 121.223 -0.018 0.000 2.127 237 L HA -0.268 4.072 4.340 -0.001 0.000 0.211 237 L C 2.895 179.757 176.870 -0.013 0.000 1.089 237 L CA 1.676 56.513 54.840 -0.004 0.000 0.757 237 L CB -0.499 41.557 42.059 -0.005 0.000 0.899 237 L HN 0.538 nan 8.230 nan 0.000 0.434 238 Q N -0.324 119.459 119.800 -0.029 0.000 2.079 238 Q HA -0.180 4.160 4.340 -0.001 0.000 0.200 238 Q C 2.378 178.363 176.000 -0.024 0.000 0.974 238 Q CA 1.207 56.993 55.803 -0.027 0.000 0.840 238 Q CB -0.016 28.701 28.738 -0.035 0.000 0.898 238 Q HN 0.484 nan 8.270 nan 0.000 0.430 239 L N -0.490 120.716 121.223 -0.029 0.000 2.012 239 L HA -0.237 4.103 4.340 -0.001 0.000 0.210 239 L C 2.288 179.146 176.870 -0.019 0.000 1.073 239 L CA 0.862 55.684 54.840 -0.028 0.000 0.748 239 L CB -0.573 41.464 42.059 -0.037 0.000 0.891 239 L HN 0.130 nan 8.230 nan 0.000 0.431 240 V N -0.208 119.700 119.914 -0.010 0.000 2.220 240 V HA -0.431 3.688 4.120 -0.001 0.000 0.250 240 V C 2.522 178.616 176.094 0.001 0.000 1.056 240 V CA 2.451 64.751 62.300 -0.000 0.000 1.016 240 V CB -0.642 31.188 31.823 0.012 0.000 0.639 240 V HN 0.598 nan 8.190 nan 0.000 0.446 241 Q N -0.898 118.902 119.800 -0.000 0.000 2.020 241 Q HA -0.270 4.069 4.340 -0.001 0.000 0.202 241 Q C 2.436 178.436 176.000 -0.002 0.000 0.982 241 Q CA 2.007 57.810 55.803 0.001 0.000 0.838 241 Q CB -0.260 28.477 28.738 -0.001 0.000 0.899 241 Q HN 0.654 nan 8.270 nan 0.000 0.423 242 Q N -0.256 119.539 119.800 -0.008 0.000 2.124 242 Q HA -0.164 4.175 4.340 -0.001 0.000 0.202 242 Q C 1.486 177.480 176.000 -0.010 0.000 0.977 242 Q CA 1.209 57.006 55.803 -0.010 0.000 0.850 242 Q CB 0.225 28.954 28.738 -0.016 0.000 0.901 242 Q HN 0.315 nan 8.270 nan 0.000 0.429 243 E N -0.073 120.120 120.200 -0.013 0.000 2.447 243 E HA -0.016 4.334 4.350 -0.001 0.000 0.195 243 E C -0.039 176.558 176.600 -0.005 0.000 1.028 243 E CA 0.160 56.551 56.400 -0.016 0.000 0.876 243 E CB 0.440 30.122 29.700 -0.029 0.000 0.885 243 E HN 0.219 nan 8.360 nan 0.000 0.500 244 Q N -0.686 119.116 119.800 0.003 0.000 2.479 244 Q HA -0.142 4.198 4.340 -0.001 0.000 0.282 244 Q C -0.451 175.559 176.000 0.016 0.000 1.279 244 Q CA 0.274 56.087 55.803 0.015 0.000 0.815 244 Q CB -2.713 26.040 28.738 0.024 0.000 1.204 244 Q HN 0.065 nan 8.270 nan 0.000 0.444 245 V N 1.309 121.229 119.914 0.009 0.000 2.599 245 V HA -0.001 4.119 4.120 -0.001 0.000 0.300 245 V C 1.973 178.085 176.094 0.031 0.000 1.034 245 V CA 1.581 63.887 62.300 0.010 0.000 1.115 245 V CB 1.090 32.916 31.823 0.005 0.000 0.934 245 V HN 0.624 nan 8.190 nan 0.000 0.485 246 T N -0.030 114.547 114.554 0.038 0.000 3.040 246 T HA 0.177 4.526 4.350 -0.001 0.000 0.252 246 T C 0.615 175.403 174.700 0.146 0.000 1.064 246 T CA 0.486 62.635 62.100 0.080 0.000 1.110 246 T CB 0.273 69.183 68.868 0.070 0.000 0.921 246 T HN 0.827 nan 8.240 nan 0.000 0.480 247 S N 0.847 116.612 115.700 0.108 0.000 2.570 247 S HA 0.720 5.190 4.470 -0.001 0.000 0.270 247 S C -1.653 173.000 174.600 0.089 0.000 1.149 247 S CA -1.094 57.189 58.200 0.139 0.000 0.837 247 S CB 1.987 65.253 63.200 0.110 0.000 1.124 247 S HN 0.924 nan 8.310 nan 0.000 0.465 248 L N -0.469 120.819 121.223 0.109 0.000 2.505 248 L HA 0.918 5.258 4.340 -0.001 0.000 0.259 248 L C -1.968 175.011 176.870 0.182 0.000 0.952 248 L CA -0.789 54.125 54.840 0.124 0.000 0.840 248 L CB 1.805 43.919 42.059 0.093 0.000 1.358 248 L HN 0.714 nan 8.230 nan 0.000 0.409 249 F N 2.899 122.881 119.950 0.053 0.000 2.477 249 F HA 0.925 5.452 4.527 -0.001 0.000 0.335 249 F C -0.293 175.551 175.800 0.073 0.000 1.130 249 F CA -0.447 57.597 58.000 0.074 0.000 0.948 249 F CB 1.538 40.566 39.000 0.046 0.000 1.154 249 F HN 1.001 nan 8.300 nan 0.000 0.439 250 A N 2.869 126.000 122.820 0.518 0.000 2.515 250 A HA 0.721 5.041 4.320 -0.001 0.000 0.296 250 A C -0.496 177.243 177.584 0.258 0.000 1.094 250 A CA -0.431 51.806 52.037 0.333 0.000 0.718 250 A CB 1.071 20.192 19.000 0.202 0.000 1.307 250 A HN 0.744 nan 8.150 nan 0.000 0.408 251 T N -0.834 113.758 114.554 0.064 0.000 2.868 251 T HA 0.440 4.789 4.350 -0.001 0.000 0.292 251 T C -1.959 172.680 174.700 -0.102 0.000 1.028 251 T CA -1.207 60.831 62.100 -0.103 0.000 1.059 251 T CB 0.707 69.349 68.868 -0.377 0.000 0.991 251 T HN 0.239 nan 8.240 nan 0.000 0.531 252 P HA -0.115 nan 4.420 nan 0.000 0.217 252 P C 1.499 178.727 177.300 -0.119 0.000 1.148 252 P CA 1.235 64.267 63.100 -0.114 0.000 0.834 252 P CB -0.170 31.493 31.700 -0.061 0.000 0.783 253 T N -2.408 112.057 114.554 -0.149 0.000 2.732 253 T HA -0.133 4.217 4.350 -0.001 0.000 0.261 253 T C 1.455 176.115 174.700 -0.067 0.000 1.040 253 T CA 1.196 63.230 62.100 -0.111 0.000 1.145 253 T CB -1.133 67.655 68.868 -0.134 0.000 0.866 253 T HN 0.336 nan 8.240 nan 0.000 0.427 254 H N 0.936 119.863 119.070 -0.237 0.000 2.289 254 H HA -0.076 4.479 4.556 -0.001 0.000 0.294 254 H C 2.293 177.552 175.328 -0.116 0.000 1.095 254 H CA 1.249 57.044 56.048 -0.422 0.000 1.256 254 H CB -0.308 29.103 29.762 -0.585 0.000 1.359 254 H HN 0.172 nan 8.280 nan 0.000 0.487 255 L N 0.154 121.387 121.223 0.017 0.000 2.012 255 L HA -0.228 4.111 4.340 -0.001 0.000 0.210 255 L C 2.402 179.270 176.870 -0.004 0.000 1.073 255 L CA 1.343 56.166 54.840 -0.027 0.000 0.748 255 L CB -0.423 41.528 42.059 -0.180 0.000 0.891 255 L HN 0.325 nan 8.230 nan 0.000 0.431 256 D N -0.003 120.388 120.400 -0.015 0.000 2.116 256 D HA -0.209 4.431 4.640 -0.001 0.000 0.193 256 D C 2.117 178.457 176.300 0.065 0.000 0.998 256 D CA 1.636 55.644 54.000 0.012 0.000 0.836 256 D CB 0.086 40.889 40.800 0.005 0.000 0.951 256 D HN 0.291 nan 8.370 nan 0.000 0.449 257 A N 0.112 123.011 122.820 0.132 0.000 1.865 257 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 257 A C 2.569 180.245 177.584 0.152 0.000 1.191 257 A CA 1.495 53.646 52.037 0.189 0.000 0.623 257 A CB -0.944 18.298 19.000 0.404 0.000 0.826 257 A HN 0.355 nan 8.150 nan 0.000 0.444 258 L N -0.769 120.567 121.223 0.189 0.000 2.046 258 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 258 L C 3.068 179.978 176.870 0.068 0.000 1.077 258 L CA 1.132 56.050 54.840 0.132 0.000 0.747 258 L CB -0.562 41.586 42.059 0.148 0.000 0.896 258 L HN 0.425 nan 8.230 nan 0.000 0.432 259 A N -0.110 122.745 122.820 0.059 0.000 1.972 259 A HA -0.114 4.205 4.320 -0.001 0.000 0.219 259 A C 2.496 180.085 177.584 0.010 0.000 1.169 259 A CA 1.691 53.767 52.037 0.064 0.000 0.635 259 A CB -0.598 18.448 19.000 0.078 0.000 0.810 259 A HN 0.403 nan 8.150 nan 0.000 0.446 260 A N -0.271 122.548 122.820 -0.002 0.000 1.898 260 A HA 0.306 4.625 4.320 -0.001 0.000 0.214 260 A C 2.486 180.027 177.584 -0.071 0.000 1.183 260 A CA 1.651 53.655 52.037 -0.054 0.000 0.622 260 A CB -0.969 18.022 19.000 -0.014 0.000 0.824 260 A HN 0.940 nan 8.150 nan 0.000 0.444 261 A N 0.294 123.096 122.820 -0.030 0.000 1.851 261 A HA 0.080 4.399 4.320 -0.001 0.000 0.216 261 A C 2.544 180.097 177.584 -0.051 0.000 1.195 261 A CA 2.446 54.461 52.037 -0.037 0.000 0.622 261 A CB -1.264 17.722 19.000 -0.023 0.000 0.831 261 A HN 1.146 nan 8.150 nan 0.000 0.444 262 A N -0.313 122.487 122.820 -0.035 0.000 1.948 262 A HA 0.057 4.377 4.320 -0.001 0.000 0.220 262 A C 2.506 180.039 177.584 -0.084 0.000 1.177 262 A CA 2.513 54.534 52.037 -0.028 0.000 0.636 262 A CB -1.064 17.949 19.000 0.022 0.000 0.815 262 A HN 1.158 nan 8.150 nan 0.000 0.449 263 A N -1.175 121.514 122.820 -0.219 0.000 1.877 263 A HA 0.023 4.343 4.320 -0.001 0.000 0.216 263 A C 1.855 179.318 177.584 -0.202 0.000 1.186 263 A CA 1.894 53.687 52.037 -0.407 0.000 0.620 263 A CB -1.358 17.098 19.000 -0.907 0.000 0.822 263 A HN 1.262 nan 8.150 nan 0.000 0.443 264 H N -1.836 117.148 119.070 -0.143 0.000 2.794 264 H HA 0.669 5.224 4.556 -0.001 0.000 0.256 264 H C 0.583 175.876 175.328 -0.058 0.000 1.637 264 H CA 0.434 56.432 56.048 -0.083 0.000 1.222 264 H CB -0.605 29.118 29.762 -0.066 0.000 1.545 264 H HN 0.930 nan 8.280 nan 0.000 0.518 265 A N -0.482 122.306 122.820 -0.053 0.000 2.631 265 A HA 0.551 4.871 4.320 -0.001 0.000 0.258 265 A C 1.973 179.545 177.584 -0.022 0.000 1.027 265 A CA 0.694 52.711 52.037 -0.034 0.000 1.015 265 A CB -0.561 18.420 19.000 -0.031 0.000 1.206 265 A HN 1.846 nan 8.150 nan 0.000 0.556 266 G N 1.406 110.194 108.800 -0.021 0.000 2.672 266 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.356 266 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.356 266 G C 0.570 175.472 174.900 0.003 0.000 1.312 266 G CA 1.259 46.356 45.100 -0.006 0.000 0.980 266 G HN 2.084 nan 8.290 nan 0.000 0.540 267 S N -1.468 114.235 115.700 0.006 0.000 2.622 267 S HA 0.750 5.219 4.470 -0.001 0.000 0.283 267 S C 0.320 174.921 174.600 0.002 0.000 1.197 267 S CA 0.502 58.707 58.200 0.008 0.000 1.146 267 S CB 1.892 65.100 63.200 0.013 0.000 1.007 267 S HN 0.807 nan 8.310 nan 0.000 0.478 268 S N 2.463 118.162 115.700 -0.002 0.000 2.545 268 S HA 0.389 4.858 4.470 -0.001 0.000 0.232 268 S C 0.434 175.031 174.600 -0.005 0.000 1.070 268 S CA -0.251 57.946 58.200 -0.005 0.000 0.923 268 S CB -0.526 62.668 63.200 -0.010 0.000 0.806 268 S HN 0.868 nan 8.310 nan 0.000 0.506 269 L N 0.334 121.554 121.223 -0.005 0.000 3.330 269 L HA -0.141 4.199 4.340 -0.001 0.000 0.507 269 L C -0.155 176.718 176.870 0.004 0.000 1.310 269 L CA 0.014 54.853 54.840 -0.002 0.000 0.906 269 L CB -2.020 40.036 42.059 -0.005 0.000 1.811 269 L HN 0.316 nan 8.230 nan 0.000 0.791 270 K N 1.292 121.695 120.400 0.005 0.000 2.292 270 K HA 0.624 4.943 4.320 -0.001 0.000 0.290 270 K C 0.480 177.086 176.600 0.011 0.000 1.083 270 K CA -0.149 56.143 56.287 0.008 0.000 0.918 270 K CB 0.292 32.797 32.500 0.007 0.000 1.089 270 K HN 0.435 nan 8.250 nan 0.000 0.473 271 L N 2.406 123.637 121.223 0.015 0.000 2.805 271 L HA 0.115 4.454 4.340 -0.001 0.000 0.237 271 L C 2.302 179.182 176.870 0.017 0.000 1.252 271 L CA 0.486 55.337 54.840 0.018 0.000 1.064 271 L CB -0.718 41.355 42.059 0.024 0.000 1.361 271 L HN 0.882 nan 8.230 nan 0.000 0.474 272 D N 0.539 120.947 120.400 0.014 0.000 2.123 272 D HA -0.231 4.408 4.640 -0.001 0.000 0.196 272 D C 2.180 178.487 176.300 0.012 0.000 0.992 272 D CA 1.739 55.746 54.000 0.012 0.000 0.833 272 D CB -0.167 40.640 40.800 0.011 0.000 0.954 272 D HN 0.513 nan 8.370 nan 0.000 0.455 273 S N -1.123 114.587 115.700 0.017 0.000 2.561 273 S HA 0.187 4.657 4.470 -0.001 0.000 0.225 273 S C 0.834 175.448 174.600 0.025 0.000 0.977 273 S CA -0.031 58.183 58.200 0.024 0.000 0.926 273 S CB -0.306 62.913 63.200 0.030 0.000 0.769 273 S HN 0.466 nan 8.310 nan 0.000 0.533 274 L N 3.051 124.285 121.223 0.018 0.000 2.342 274 L HA 0.421 4.761 4.340 -0.001 0.000 0.285 274 L C 0.980 177.839 176.870 -0.018 0.000 1.095 274 L CA -0.063 54.790 54.840 0.021 0.000 0.843 274 L CB 0.323 42.400 42.059 0.029 0.000 1.201 274 L HN 0.002 nan 8.230 nan 0.000 0.445 275 R N 3.304 123.769 120.500 -0.059 0.000 2.307 275 R HA 0.293 4.633 4.340 -0.001 0.000 0.200 275 R C -0.381 175.584 176.300 -0.558 0.000 0.893 275 R CA 0.157 56.080 56.100 -0.295 0.000 1.042 275 R CB 0.218 30.292 30.300 -0.377 0.000 1.059 275 R HN 0.647 nan 8.270 nan 0.000 0.530 276 H N -0.081 119.001 119.070 0.020 0.000 2.840 276 H HA 0.349 4.904 4.556 -0.000 0.000 0.340 276 H C -0.986 174.347 175.328 0.007 0.000 1.004 276 H CA -0.631 55.420 56.048 0.004 0.000 1.288 276 H CB 2.573 32.325 29.762 -0.017 0.000 1.607 276 H HN -0.270 nan 8.280 nan 0.000 0.522 277 V N 3.901 123.885 119.914 0.116 0.000 2.378 277 V HA 0.279 4.398 4.120 -0.001 0.000 0.288 277 V C 0.024 176.161 176.094 0.072 0.000 1.016 277 V CA -0.320 62.052 62.300 0.120 0.000 0.840 277 V CB 1.730 33.643 31.823 0.150 0.000 0.994 277 V HN 0.805 nan 8.190 nan 0.000 0.431 278 T N 5.857 120.363 114.554 -0.081 0.000 2.887 278 T HA 0.876 5.226 4.350 -0.001 0.000 0.288 278 T C -0.785 173.615 174.700 -0.500 0.000 1.021 278 T CA -0.390 61.392 62.100 -0.530 0.000 1.000 278 T CB 1.552 69.835 68.868 -0.975 0.000 1.034 278 T HN 0.548 nan 8.240 nan 0.000 0.467 279 F N -1.286 118.367 119.950 -0.495 0.000 2.703 279 F HA 0.758 5.284 4.527 -0.000 0.000 0.308 279 F C -0.784 175.047 175.800 0.052 0.000 1.126 279 F CA -1.827 56.097 58.000 -0.126 0.000 0.959 279 F CB 0.844 39.826 39.000 -0.029 0.000 1.297 279 F HN 0.633 nan 8.300 nan 0.000 0.441 280 A N 1.069 124.130 122.820 0.402 0.000 2.650 280 A HA 0.579 4.899 4.320 -0.001 0.000 0.320 280 A C 0.686 178.454 177.584 0.307 0.000 1.466 280 A CA 0.123 52.333 52.037 0.288 0.000 1.099 280 A CB -0.822 18.316 19.000 0.230 0.000 1.136 280 A HN 1.404 nan 8.150 nan 0.000 0.532 281 G N 1.120 110.140 108.800 0.368 0.000 3.609 281 G HA2 0.354 4.313 3.960 -0.001 0.000 0.280 281 G HA3 0.354 4.313 3.960 -0.001 0.000 0.280 281 G C 1.047 176.081 174.900 0.223 0.000 1.155 281 G CA 0.693 46.010 45.100 0.361 0.000 0.876 281 G HN 0.918 nan 8.290 nan 0.000 0.535 282 A N 0.801 123.741 122.820 0.200 0.000 1.948 282 A HA -0.091 4.228 4.320 -0.001 0.000 0.220 282 A C 2.440 180.093 177.584 0.115 0.000 1.177 282 A CA 2.379 54.513 52.037 0.161 0.000 0.636 282 A CB -0.510 18.619 19.000 0.216 0.000 0.815 282 A HN 0.600 nan 8.150 nan 0.000 0.449 283 T N -3.456 111.164 114.554 0.109 0.000 3.145 283 T HA 0.408 4.758 4.350 -0.001 0.000 0.255 283 T C 0.496 175.231 174.700 0.059 0.000 1.039 283 T CA 0.111 62.257 62.100 0.076 0.000 0.928 283 T CB -0.434 68.475 68.868 0.068 0.000 1.029 283 T HN 0.399 nan 8.240 nan 0.000 0.554 284 M N 2.983 122.624 119.600 0.067 0.000 2.188 284 M HA 0.387 4.867 4.480 -0.001 0.000 0.354 284 M C -2.632 173.685 176.300 0.028 0.000 1.342 284 M CA -1.952 53.365 55.300 0.029 0.000 1.117 284 M CB 0.857 33.461 32.600 0.007 0.000 1.670 284 M HN -0.118 nan 8.290 nan 0.000 0.466 285 P HA 0.117 nan 4.420 nan 0.000 0.272 285 P C -0.386 176.928 177.300 0.023 0.000 1.223 285 P CA -0.159 62.956 63.100 0.025 0.000 0.784 285 P CB 0.541 32.254 31.700 0.022 0.000 0.923 286 D N 1.126 121.547 120.400 0.035 0.000 2.123 286 D HA -0.178 4.462 4.640 -0.001 0.000 0.196 286 D C 1.953 178.273 176.300 0.034 0.000 0.992 286 D CA 1.980 56.004 54.000 0.040 0.000 0.833 286 D CB -0.546 40.281 40.800 0.044 0.000 0.954 286 D HN 0.366 nan 8.370 nan 0.000 0.455 287 A N 0.247 123.086 122.820 0.031 0.000 1.873 287 A HA -0.200 4.120 4.320 -0.001 0.000 0.218 287 A C 2.555 180.148 177.584 0.016 0.000 1.193 287 A CA 1.882 53.937 52.037 0.030 0.000 0.629 287 A CB -0.943 18.076 19.000 0.033 0.000 0.826 287 A HN 0.168 nan 8.150 nan 0.000 0.447 288 V N -0.029 119.882 119.914 -0.005 0.000 2.343 288 V HA -0.244 3.876 4.120 -0.001 0.000 0.247 288 V C 2.484 178.531 176.094 -0.079 0.000 1.051 288 V CA 1.914 64.193 62.300 -0.036 0.000 1.036 288 V CB -0.995 30.789 31.823 -0.065 0.000 0.654 288 V HN 0.615 nan 8.190 nan 0.000 0.451 289 L N 1.591 122.766 121.223 -0.080 0.000 1.978 289 L HA -0.268 4.072 4.340 -0.001 0.000 0.218 289 L C 2.577 179.389 176.870 -0.096 0.000 1.075 289 L CA 2.880 57.646 54.840 -0.124 0.000 0.767 289 L CB -1.054 40.998 42.059 -0.012 0.000 0.890 289 L HN 0.681 nan 8.230 nan 0.000 0.434 290 E N -1.434 118.779 120.200 0.022 0.000 2.274 290 E HA -0.184 4.166 4.350 -0.001 0.000 0.194 290 E C 1.888 178.498 176.600 0.018 0.000 0.996 290 E CA 1.392 57.846 56.400 0.089 0.000 0.840 290 E CB -0.640 29.114 29.700 0.091 0.000 0.772 290 E HN 0.696 nan 8.360 nan 0.000 0.491 291 T N -1.296 113.262 114.554 0.008 0.000 2.821 291 T HA -0.090 4.260 4.350 -0.001 0.000 0.267 291 T C 2.000 176.720 174.700 0.033 0.000 1.046 291 T CA 1.146 63.279 62.100 0.056 0.000 1.139 291 T CB -0.641 68.337 68.868 0.182 0.000 0.871 291 T HN 0.072 nan 8.240 nan 0.000 0.454 292 V N 1.736 121.619 119.914 -0.051 0.000 2.324 292 V HA -0.225 3.895 4.120 -0.001 0.000 0.250 292 V C 2.870 178.918 176.094 -0.078 0.000 1.060 292 V CA 2.102 64.338 62.300 -0.107 0.000 1.042 292 V CB -0.851 30.808 31.823 -0.274 0.000 0.650 292 V HN 0.628 nan 8.190 nan 0.000 0.450 293 H N -0.835 118.222 119.070 -0.021 0.000 2.363 293 H HA -0.074 4.482 4.556 -0.001 0.000 0.301 293 H C 2.475 177.758 175.328 -0.074 0.000 1.074 293 H CA 1.496 57.531 56.048 -0.021 0.000 1.354 293 H CB -0.162 29.588 29.762 -0.020 0.000 1.397 293 H HN 0.352 nan 8.280 nan 0.000 0.516 294 Q N 0.155 119.929 119.800 -0.044 0.000 2.167 294 Q HA -0.101 4.239 4.340 -0.001 0.000 0.202 294 Q C 1.201 177.046 176.000 -0.258 0.000 0.970 294 Q CA 1.269 56.906 55.803 -0.277 0.000 0.855 294 Q CB 0.182 28.550 28.738 -0.616 0.000 0.911 294 Q HN 0.650 nan 8.270 nan 0.000 0.438 295 H N -2.238 116.859 119.070 0.044 0.000 3.241 295 H HA 0.326 4.882 4.556 -0.001 0.000 0.260 295 H C 0.064 175.407 175.328 0.024 0.000 1.084 295 H CA -0.082 55.982 56.048 0.028 0.000 1.203 295 H CB 1.078 30.851 29.762 0.018 0.000 1.524 295 H HN 0.044 nan 8.280 nan 0.000 0.521 296 L N 2.628 123.924 121.223 0.122 0.000 2.334 296 L HA 0.382 4.722 4.340 -0.001 0.000 0.273 296 L C -2.062 174.848 176.870 0.067 0.000 1.013 296 L CA -1.801 53.088 54.840 0.082 0.000 0.816 296 L CB 2.421 44.516 42.059 0.060 0.000 1.278 296 L HN -0.022 nan 8.230 nan 0.000 0.431 297 P HA 0.437 nan 4.420 nan 0.000 0.310 297 P C -0.319 177.002 177.300 0.034 0.000 1.309 297 P CA -0.137 62.987 63.100 0.041 0.000 0.769 297 P CB 0.770 32.487 31.700 0.029 0.000 1.327 298 G N -0.889 107.916 108.800 0.008 0.000 2.819 298 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.682 298 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.682 298 G C -0.456 174.437 174.900 -0.011 0.000 1.481 298 G CA -0.460 44.620 45.100 -0.034 0.000 0.904 298 G HN 0.788 nan 8.290 nan 0.000 0.563 299 E N 0.555 120.717 120.200 -0.063 0.000 2.344 299 E HA 0.228 4.578 4.350 -0.001 0.000 0.270 299 E C 0.137 176.772 176.600 0.058 0.000 1.021 299 E CA -0.238 56.164 56.400 0.004 0.000 0.887 299 E CB 0.273 29.965 29.700 -0.013 0.000 0.997 299 E HN 0.327 nan 8.360 nan 0.000 0.429 300 K N 3.331 123.792 120.400 0.102 0.000 2.213 300 K HA 0.391 4.711 4.320 -0.001 0.000 0.270 300 K C -0.729 175.874 176.600 0.005 0.000 1.002 300 K CA -0.774 55.580 56.287 0.113 0.000 0.868 300 K CB 1.844 34.468 32.500 0.207 0.000 1.093 300 K HN 0.215 nan 8.250 nan 0.000 0.454 301 V N 2.418 122.222 119.914 -0.184 0.000 2.656 301 V HA 0.238 4.358 4.120 -0.001 0.000 0.307 301 V C -0.472 175.214 176.094 -0.681 0.000 1.051 301 V CA -1.016 61.131 62.300 -0.255 0.000 0.893 301 V CB 2.078 33.847 31.823 -0.090 0.000 0.999 301 V HN 0.689 nan 8.190 nan 0.000 0.426 302 N N 2.503 120.904 118.700 -0.498 0.000 2.421 302 N HA 0.702 5.442 4.740 -0.001 0.000 0.285 302 N C -0.188 175.239 175.510 -0.139 0.000 1.027 302 N CA 0.036 52.766 53.050 -0.534 0.000 0.918 302 N CB 1.903 40.260 38.487 -0.216 0.000 1.152 302 N HN 0.911 nan 8.380 nan 0.000 0.485 303 G N 1.505 110.266 108.800 -0.065 0.000 2.524 303 G HA2 0.463 4.422 3.960 -0.001 0.000 0.310 303 G HA3 0.463 4.422 3.960 -0.001 0.000 0.310 303 G C -2.016 173.017 174.900 0.222 0.000 1.279 303 G CA -0.438 44.749 45.100 0.144 0.000 0.974 303 G HN 0.520 nan 8.290 nan 0.000 0.484 304 Y N 0.671 121.030 120.300 0.100 0.000 2.446 304 Y HA 0.731 5.280 4.550 -0.001 0.000 0.345 304 Y C 0.200 176.132 175.900 0.053 0.000 0.984 304 Y CA -0.124 58.024 58.100 0.080 0.000 1.058 304 Y CB 2.246 40.740 38.460 0.056 0.000 1.220 304 Y HN 0.946 nan 8.280 nan 0.000 0.455 305 G N 1.779 110.219 108.800 -0.599 0.000 2.550 305 G HA2 0.552 4.512 3.960 -0.001 0.000 0.293 305 G HA3 0.552 4.512 3.960 -0.001 0.000 0.293 305 G C -1.520 173.102 174.900 -0.463 0.000 1.402 305 G CA -0.440 44.418 45.100 -0.402 0.000 0.784 305 G HN 0.956 nan 8.290 nan 0.000 0.482 306 T N -3.919 110.456 114.554 -0.298 0.000 2.853 306 T HA 0.540 4.890 4.350 -0.001 0.000 0.311 306 T C 0.895 175.418 174.700 -0.295 0.000 1.307 306 T CA 0.396 62.344 62.100 -0.253 0.000 1.019 306 T CB 1.312 70.080 68.868 -0.166 0.000 1.264 306 T HN 0.454 nan 8.240 nan 0.000 0.497 307 T N 1.077 115.446 114.554 -0.308 0.000 2.684 307 T HA -0.098 4.252 4.350 -0.001 0.000 0.267 307 T C 1.630 176.045 174.700 -0.474 0.000 1.036 307 T CA 2.136 64.018 62.100 -0.363 0.000 1.148 307 T CB -0.445 68.257 68.868 -0.276 0.000 0.863 307 T HN 0.774 nan 8.240 nan 0.000 0.436 308 E N 1.277 121.049 120.200 -0.714 0.000 2.085 308 E HA 0.012 4.361 4.350 -0.001 0.000 0.194 308 E C 1.916 178.123 176.600 -0.655 0.000 0.994 308 E CA 1.387 57.085 56.400 -1.170 0.000 0.801 308 E CB -0.177 28.259 29.700 -2.107 0.000 0.743 308 E HN 0.534 nan 8.360 nan 0.000 0.453 309 A N -1.696 120.813 122.820 -0.518 0.000 2.551 309 A HA 0.503 4.823 4.320 -0.001 0.000 0.252 309 A C 0.783 178.209 177.584 -0.262 0.000 1.199 309 A CA 0.354 52.220 52.037 -0.284 0.000 0.972 309 A CB 0.037 18.966 19.000 -0.118 0.000 1.153 309 A HN 0.126 nan 8.150 nan 0.000 0.559 310 M N -0.770 118.638 119.600 -0.319 0.000 7.319 310 M HA -0.288 4.192 4.480 -0.001 0.000 0.305 310 M C -0.142 175.940 176.300 -0.363 0.000 0.480 310 M CA 1.918 57.000 55.300 -0.363 0.000 1.311 310 M CB -1.056 31.289 32.600 -0.424 0.000 0.421 310 M HN 0.569 nan 8.290 nan 0.000 0.680 311 N N 0.214 118.592 118.700 -0.536 0.000 2.444 311 N HA 0.520 5.259 4.740 -0.001 0.000 0.271 311 N C -0.353 175.092 175.510 -0.109 0.000 1.069 311 N CA 0.815 53.593 53.050 -0.452 0.000 0.965 311 N CB 1.098 39.020 38.487 -0.941 0.000 1.092 311 N HN 0.480 nan 8.380 nan 0.000 0.476 312 S N 2.179 117.926 115.700 0.078 0.000 2.589 312 S HA 0.422 4.891 4.470 -0.001 0.000 0.235 312 S C -0.421 174.326 174.600 0.244 0.000 1.051 312 S CA -0.222 58.101 58.200 0.205 0.000 0.978 312 S CB 0.234 63.622 63.200 0.313 0.000 0.929 312 S HN 0.502 nan 8.310 nan 0.000 0.523 313 L N 0.973 122.371 121.223 0.291 0.000 2.622 313 L HA 0.565 4.905 4.340 -0.001 0.000 0.258 313 L C -1.503 175.600 176.870 0.387 0.000 0.996 313 L CA -1.206 53.807 54.840 0.289 0.000 0.858 313 L CB 2.097 44.235 42.059 0.131 0.000 1.449 313 L HN 0.298 nan 8.230 nan 0.000 0.411 314 Y N -0.009 120.344 120.300 0.087 0.000 2.713 314 Y HA 0.838 5.388 4.550 -0.001 0.000 0.335 314 Y C -1.919 174.003 175.900 0.036 0.000 1.222 314 Y CA -1.596 56.541 58.100 0.062 0.000 1.061 314 Y CB 1.622 40.134 38.460 0.085 0.000 1.314 314 Y HN 0.417 nan 8.280 nan 0.000 0.453 315 M N 3.049 122.528 119.600 -0.201 0.000 2.238 315 M HA 0.388 4.868 4.480 -0.001 0.000 0.278 315 M C -1.094 175.119 176.300 -0.145 0.000 1.040 315 M CA -0.773 54.359 55.300 -0.280 0.000 0.969 315 M CB 2.396 34.925 32.600 -0.118 0.000 1.694 315 M HN 0.874 nan 8.290 nan 0.000 0.472 316 R N 1.991 122.402 120.500 -0.150 0.000 2.491 316 R HA 0.178 4.517 4.340 -0.001 0.000 0.283 316 R C -0.045 176.260 176.300 0.009 0.000 1.072 316 R CA -0.138 55.957 56.100 -0.008 0.000 1.048 316 R CB 0.268 30.580 30.300 0.020 0.000 0.983 316 R HN 0.603 nan 8.270 nan 0.000 0.450 317 Q N 0.234 120.076 119.800 0.069 0.000 2.453 317 Q HA -0.118 4.221 4.340 -0.001 0.000 0.330 317 Q C -2.307 173.783 176.000 0.148 0.000 1.417 317 Q CA 0.330 56.215 55.803 0.138 0.000 0.902 317 Q CB -1.059 27.715 28.738 0.059 0.000 1.154 317 Q HN 0.455 nan 8.270 nan 0.000 0.395 318 P HA 0.014 nan 4.420 nan 0.000 0.276 318 P C 0.109 177.551 177.300 0.237 0.000 1.230 318 P CA 0.060 63.258 63.100 0.164 0.000 0.776 318 P CB 1.070 32.860 31.700 0.150 0.000 0.888 319 K N 0.775 121.246 120.400 0.118 0.000 2.021 319 K HA 0.029 4.349 4.320 -0.001 0.000 0.205 319 K C 1.148 177.818 176.600 0.117 0.000 1.047 319 K CA 1.358 57.703 56.287 0.097 0.000 0.943 319 K CB -0.177 32.344 32.500 0.034 0.000 0.725 319 K HN 0.646 nan 8.250 nan 0.000 0.439 320 T N -3.816 110.793 114.554 0.092 0.000 2.883 320 T HA 0.438 4.787 4.350 -0.001 0.000 0.284 320 T C 0.970 175.729 174.700 0.099 0.000 1.041 320 T CA -0.680 61.471 62.100 0.085 0.000 1.007 320 T CB 1.810 70.709 68.868 0.052 0.000 1.220 320 T HN 0.099 nan 8.240 nan 0.000 0.552 321 G N -0.526 108.331 108.800 0.095 0.000 2.887 321 G HA2 0.147 4.107 3.960 -0.001 0.000 0.211 321 G HA3 0.147 4.107 3.960 -0.001 0.000 0.211 321 G C 1.219 176.171 174.900 0.088 0.000 1.152 321 G CA 0.602 45.776 45.100 0.123 0.000 0.769 321 G HN 0.938 nan 8.290 nan 0.000 0.541 322 T N -2.579 112.002 114.554 0.045 0.000 3.044 322 T HA 0.253 4.602 4.350 -0.001 0.000 0.250 322 T C 0.539 175.215 174.700 -0.039 0.000 1.081 322 T CA -0.021 62.083 62.100 0.006 0.000 1.040 322 T CB 0.524 69.385 68.868 -0.011 0.000 0.962 322 T HN 0.215 nan 8.240 nan 0.000 0.506 323 E N 0.635 120.821 120.200 -0.023 0.000 2.141 323 E HA 0.623 4.972 4.350 -0.001 0.000 0.259 323 E C -0.987 175.585 176.600 -0.047 0.000 0.883 323 E CA -0.429 55.943 56.400 -0.047 0.000 0.744 323 E CB 0.826 30.515 29.700 -0.019 0.000 1.150 323 E HN 0.366 nan 8.360 nan 0.000 0.420 324 M N 1.749 121.300 119.600 -0.082 0.000 2.779 324 M HA 0.799 5.278 4.480 -0.001 0.000 0.277 324 M C -1.492 174.767 176.300 -0.069 0.000 1.284 324 M CA -0.913 54.346 55.300 -0.067 0.000 0.801 324 M CB 2.403 34.989 32.600 -0.022 0.000 1.712 324 M HN 0.477 nan 8.290 nan 0.000 0.453 325 A N 0.924 123.731 122.820 -0.022 0.000 2.574 325 A HA 0.892 5.212 4.320 -0.001 0.000 0.297 325 A C -2.976 174.712 177.584 0.175 0.000 1.062 325 A CA -1.333 50.736 52.037 0.053 0.000 0.686 325 A CB 1.549 20.571 19.000 0.036 0.000 1.285 325 A HN 0.370 nan 8.150 nan 0.000 0.403 326 P HA 0.387 nan 4.420 nan 0.000 0.276 326 P C 0.355 177.868 177.300 0.354 0.000 1.230 326 P CA 0.442 63.704 63.100 0.269 0.000 0.776 326 P CB 1.410 33.245 31.700 0.224 0.000 0.888 327 G N 2.286 111.298 108.800 0.354 0.000 2.736 327 G HA2 0.380 4.340 3.960 -0.001 0.000 0.229 327 G HA3 0.380 4.340 3.960 -0.001 0.000 0.229 327 G C -1.011 173.970 174.900 0.136 0.000 1.380 327 G CA -0.725 44.524 45.100 0.247 0.000 1.040 327 G HN 0.396 nan 8.290 nan 0.000 0.568 328 F N -0.621 119.266 119.950 -0.104 0.000 2.518 328 F HA 0.382 4.908 4.527 -0.000 0.000 0.359 328 F C 0.811 176.471 175.800 -0.233 0.000 1.118 328 F CA 0.548 58.385 58.000 -0.272 0.000 1.287 328 F CB 0.177 38.874 39.000 -0.505 0.000 1.132 328 F HN 0.417 nan 8.300 nan 0.000 0.587 329 F N 0.077 119.736 119.950 -0.485 0.000 2.498 329 F HA -0.293 4.233 4.527 -0.001 0.000 0.563 329 F C 0.804 176.500 175.800 -0.173 0.000 0.514 329 F CA 0.652 58.472 58.000 -0.299 0.000 1.189 329 F CB -2.037 36.924 39.000 -0.065 0.000 1.924 329 F HN 0.349 nan 8.300 nan 0.000 0.261 330 S N 0.291 116.030 115.700 0.065 0.000 2.654 330 S HA 0.588 5.058 4.470 -0.001 0.000 0.283 330 S C -0.276 174.363 174.600 0.065 0.000 1.180 330 S CA -0.624 57.627 58.200 0.086 0.000 1.021 330 S CB 2.590 65.871 63.200 0.135 0.000 1.018 330 S HN 0.309 nan 8.310 nan 0.000 0.532 331 E N 0.905 121.163 120.200 0.098 0.000 2.278 331 E HA 0.557 4.906 4.350 -0.001 0.000 0.272 331 E C -1.499 175.292 176.600 0.318 0.000 0.890 331 E CA -0.704 55.787 56.400 0.152 0.000 0.770 331 E CB 1.485 31.209 29.700 0.040 0.000 1.212 331 E HN 0.522 nan 8.360 nan 0.000 0.415 332 V N 1.069 121.203 119.914 0.367 0.000 3.130 332 V HA 0.819 4.939 4.120 -0.001 0.000 0.310 332 V C -0.960 175.346 176.094 0.353 0.000 1.158 332 V CA -0.759 61.772 62.300 0.384 0.000 1.029 332 V CB 2.202 34.167 31.823 0.237 0.000 1.057 332 V HN 0.778 nan 8.190 nan 0.000 0.436 333 R N 1.418 122.037 120.500 0.198 0.000 2.734 333 R HA 0.724 5.064 4.340 -0.001 0.000 0.271 333 R C -1.814 174.501 176.300 0.026 0.000 1.021 333 R CA -0.806 55.358 56.100 0.107 0.000 0.893 333 R CB 2.457 32.632 30.300 -0.207 0.000 1.244 333 R HN 0.842 nan 8.270 nan 0.000 0.464 334 I N 2.797 123.414 120.570 0.080 0.000 2.468 334 I HA 0.315 4.485 4.170 -0.001 0.000 0.284 334 I C -0.211 175.903 176.117 -0.006 0.000 1.038 334 I CA -0.911 60.388 61.300 -0.002 0.000 1.083 334 I CB 1.813 39.797 38.000 -0.027 0.000 1.223 334 I HN 0.297 nan 8.210 nan 0.000 0.443 335 V N 2.726 122.601 119.914 -0.066 0.000 3.019 335 V HA 0.591 4.711 4.120 -0.001 0.000 0.317 335 V C 0.146 176.210 176.094 -0.050 0.000 1.094 335 V CA -1.099 61.154 62.300 -0.078 0.000 1.000 335 V CB 1.842 33.577 31.823 -0.147 0.000 1.060 335 V HN 0.797 nan 8.190 nan 0.000 0.443 336 R N 1.519 121.995 120.500 -0.041 0.000 2.522 336 R HA 0.330 4.670 4.340 -0.001 0.000 0.284 336 R C -0.163 176.121 176.300 -0.027 0.000 1.032 336 R CA -0.236 55.849 56.100 -0.025 0.000 1.049 336 R CB 0.093 30.381 30.300 -0.020 0.000 0.956 336 R HN 0.777 nan 8.270 nan 0.000 0.422 337 I N 3.693 124.253 120.570 -0.016 0.000 2.752 337 I HA -0.067 4.103 4.170 -0.001 0.000 0.289 337 I C 1.107 177.216 176.117 -0.012 0.000 1.197 337 I CA 1.268 62.561 61.300 -0.012 0.000 1.432 337 I CB 0.303 38.304 38.000 0.001 0.000 1.359 337 I HN 0.929 nan 8.210 nan 0.000 0.571 338 G N 4.320 113.112 108.800 -0.014 0.000 2.402 338 G HA2 0.129 4.089 3.960 -0.001 0.000 0.241 338 G HA3 0.129 4.089 3.960 -0.001 0.000 0.241 338 G C 0.021 174.912 174.900 -0.015 0.000 0.871 338 G CA -0.039 45.055 45.100 -0.010 0.000 1.232 338 G HN 1.328 nan 8.290 nan 0.000 0.369 339 G N -0.302 108.484 108.800 -0.023 0.000 2.356 339 G HA2 0.801 4.761 3.960 -0.001 0.000 0.294 339 G HA3 0.801 4.761 3.960 -0.001 0.000 0.294 339 G C 0.236 175.111 174.900 -0.041 0.000 1.423 339 G CA 0.211 45.294 45.100 -0.028 0.000 0.806 339 G HN 1.708 nan 8.290 nan 0.000 0.527 340 G N -0.941 107.835 108.800 -0.041 0.000 2.491 340 G HA2 0.532 4.492 3.960 -0.001 0.000 0.242 340 G HA3 0.532 4.492 3.960 -0.001 0.000 0.242 340 G C 1.557 176.397 174.900 -0.101 0.000 1.266 340 G CA 0.532 45.603 45.100 -0.048 0.000 0.844 340 G HN 1.756 nan 8.290 nan 0.000 0.571 341 V N -0.452 119.384 119.914 -0.130 0.000 2.527 341 V HA -0.168 3.952 4.120 -0.001 0.000 0.255 341 V C 1.579 177.481 176.094 -0.320 0.000 1.081 341 V CA 2.238 64.353 62.300 -0.308 0.000 1.092 341 V CB -0.320 31.266 31.823 -0.395 0.000 0.673 341 V HN 0.528 nan 8.190 nan 0.000 0.470 342 D N 0.293 120.598 120.400 -0.158 0.000 2.349 342 D HA 0.043 4.682 4.640 -0.001 0.000 0.224 342 D C 1.092 177.340 176.300 -0.088 0.000 1.029 342 D CA 0.420 54.356 54.000 -0.107 0.000 0.879 342 D CB -0.035 40.746 40.800 -0.032 0.000 0.906 342 D HN 0.685 nan 8.370 nan 0.000 0.528 343 E N 1.484 121.628 120.200 -0.094 0.000 2.392 343 E HA 0.052 4.401 4.350 -0.001 0.000 0.307 343 E C 0.287 176.848 176.600 -0.065 0.000 1.505 343 E CA -0.346 56.015 56.400 -0.065 0.000 1.716 343 E CB 0.326 29.994 29.700 -0.054 0.000 1.450 343 E HN 0.130 nan 8.360 nan 0.000 0.484 344 I N 2.085 122.616 120.570 -0.066 0.000 2.906 344 I HA -0.115 4.054 4.170 -0.001 0.000 0.302 344 I C 1.198 177.312 176.117 -0.006 0.000 1.220 344 I CA 0.494 61.772 61.300 -0.037 0.000 1.441 344 I CB -0.724 37.262 38.000 -0.023 0.000 1.336 344 I HN -0.005 nan 8.210 nan 0.000 0.565 345 V N 3.977 123.905 119.914 0.024 0.000 3.185 345 V HA 0.590 4.710 4.120 -0.001 0.000 0.305 345 V C 0.998 177.117 176.094 0.042 0.000 1.090 345 V CA -0.668 61.652 62.300 0.035 0.000 1.107 345 V CB 0.420 32.274 31.823 0.052 0.000 1.061 345 V HN 0.966 nan 8.190 nan 0.000 0.480 346 A N 2.308 125.146 122.820 0.031 0.000 2.325 346 A HA 0.111 4.430 4.320 -0.001 0.000 0.283 346 A C 0.489 178.103 177.584 0.051 0.000 1.211 346 A CA 0.747 52.800 52.037 0.026 0.000 0.850 346 A CB -0.623 18.389 19.000 0.021 0.000 1.122 346 A HN 1.128 nan 8.150 nan 0.000 0.515 347 N N -2.266 116.456 118.700 0.038 0.000 2.400 347 N HA 0.476 5.216 4.740 -0.001 0.000 0.288 347 N C 0.616 176.172 175.510 0.077 0.000 1.024 347 N CA 0.686 53.776 53.050 0.068 0.000 0.894 347 N CB 1.017 39.514 38.487 0.016 0.000 1.173 347 N HN 1.225 nan 8.380 nan 0.000 0.487 348 G N 0.233 109.102 108.800 0.114 0.000 2.258 348 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.233 348 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.233 348 G C 0.145 175.088 174.900 0.071 0.000 1.006 348 G CA 0.253 45.405 45.100 0.087 0.000 0.620 348 G HN 0.859 nan 8.290 nan 0.000 0.511 349 E N 1.432 121.673 120.200 0.068 0.000 2.338 349 E HA 0.571 4.921 4.350 -0.001 0.000 0.272 349 E C 0.246 176.878 176.600 0.053 0.000 1.029 349 E CA 0.352 56.784 56.400 0.053 0.000 0.872 349 E CB 0.174 29.899 29.700 0.040 0.000 1.015 349 E HN 0.700 nan 8.360 nan 0.000 0.417 350 E N -0.044 120.182 120.200 0.044 0.000 2.349 350 E HA 0.603 4.953 4.350 -0.001 0.000 0.265 350 E C 0.393 177.005 176.600 0.020 0.000 1.064 350 E CA -0.075 56.343 56.400 0.031 0.000 0.886 350 E CB 1.583 31.325 29.700 0.071 0.000 1.036 350 E HN 0.713 nan 8.360 nan 0.000 0.413 351 G N 0.844 109.639 108.800 -0.009 0.000 2.634 351 G HA2 0.158 4.117 3.960 -0.001 0.000 0.309 351 G HA3 0.158 4.117 3.960 -0.001 0.000 0.309 351 G C -1.432 173.443 174.900 -0.040 0.000 1.299 351 G CA -0.712 44.379 45.100 -0.016 0.000 0.798 351 G HN 0.465 nan 8.290 nan 0.000 0.490 352 E N -0.058 120.114 120.200 -0.047 0.000 2.229 352 E HA 0.364 4.714 4.350 -0.001 0.000 0.283 352 E C -0.620 175.928 176.600 -0.088 0.000 1.030 352 E CA -0.633 55.731 56.400 -0.059 0.000 0.836 352 E CB 1.276 30.944 29.700 -0.054 0.000 1.068 352 E HN 0.344 nan 8.360 nan 0.000 0.401 353 L N 6.932 128.096 121.223 -0.099 0.000 2.462 353 L HA 0.220 4.560 4.340 -0.001 0.000 0.272 353 L C -0.518 176.319 176.870 -0.055 0.000 1.166 353 L CA 0.488 55.264 54.840 -0.106 0.000 0.880 353 L CB 0.213 42.181 42.059 -0.152 0.000 1.142 353 L HN 0.436 nan 8.230 nan 0.000 0.473 354 I N 4.134 124.687 120.570 -0.028 0.000 2.730 354 I HA 0.794 4.964 4.170 -0.001 0.000 0.298 354 I C -0.898 175.386 176.117 0.280 0.000 1.089 354 I CA -0.996 60.332 61.300 0.045 0.000 1.041 354 I CB 2.197 40.147 38.000 -0.084 0.000 1.235 354 I HN 0.447 nan 8.210 nan 0.000 0.423 355 V N 2.348 122.531 119.914 0.448 0.000 2.789 355 V HA 0.908 5.028 4.120 -0.001 0.000 0.311 355 V C 0.423 176.764 176.094 0.411 0.000 1.073 355 V CA -0.515 62.079 62.300 0.491 0.000 0.921 355 V CB 1.262 33.286 31.823 0.335 0.000 1.009 355 V HN 1.250 nan 8.190 nan 0.000 0.426 356 A N 3.471 126.320 122.820 0.049 0.000 2.587 356 A HA 0.534 4.853 4.320 -0.001 0.000 0.235 356 A C 1.051 178.541 177.584 -0.155 0.000 1.044 356 A CA 0.454 52.222 52.037 -0.450 0.000 0.754 356 A CB 0.068 18.766 19.000 -0.503 0.000 0.968 356 A HN 2.393 nan 8.150 nan 0.000 0.509 357 A N 3.895 126.601 122.820 -0.191 0.000 3.135 357 A HA 0.488 4.808 4.320 -0.001 0.000 0.253 357 A C 1.102 178.619 177.584 -0.113 0.000 1.638 357 A CA 0.169 52.168 52.037 -0.062 0.000 1.295 357 A CB -1.008 17.984 19.000 -0.013 0.000 1.106 357 A HN 0.902 nan 8.150 nan 0.000 0.648 358 S N 0.147 115.776 115.700 -0.117 0.000 2.305 358 S HA 0.090 4.560 4.470 -0.001 0.000 0.239 358 S C 0.651 175.187 174.600 -0.108 0.000 1.259 358 S CA 0.227 58.359 58.200 -0.114 0.000 0.998 358 S CB -0.147 62.995 63.200 -0.097 0.000 0.967 358 S HN 0.527 nan 8.310 nan 0.000 0.469 359 D N 1.396 121.728 120.400 -0.113 0.000 2.224 359 D HA -0.012 4.627 4.640 -0.001 0.000 0.205 359 D C 2.001 178.200 176.300 -0.168 0.000 0.965 359 D CA 1.181 55.106 54.000 -0.125 0.000 0.852 359 D CB -0.418 40.309 40.800 -0.122 0.000 0.947 359 D HN 0.479 nan 8.370 nan 0.000 0.494 360 S N -0.290 115.284 115.700 -0.209 0.000 2.562 360 S HA 0.262 4.732 4.470 -0.001 0.000 0.221 360 S C 1.097 175.575 174.600 -0.203 0.000 0.975 360 S CA -0.224 57.818 58.200 -0.263 0.000 0.918 360 S CB -0.148 62.856 63.200 -0.327 0.000 0.772 360 S HN 0.195 nan 8.310 nan 0.000 0.531 361 A N 2.202 124.945 122.820 -0.129 0.000 2.445 361 A HA 0.518 4.838 4.320 -0.001 0.000 0.242 361 A C 0.285 177.868 177.584 -0.002 0.000 1.075 361 A CA -0.824 51.183 52.037 -0.050 0.000 0.777 361 A CB -0.393 18.593 19.000 -0.023 0.000 1.013 361 A HN 0.688 nan 8.150 nan 0.000 0.493 362 F N 1.308 121.103 119.950 -0.258 0.000 2.480 362 F HA 0.405 4.933 4.527 0.001 0.000 0.319 362 F C 1.143 176.826 175.800 -0.195 0.000 1.230 362 F CA -0.297 57.568 58.000 -0.225 0.000 1.285 362 F CB 0.585 39.411 39.000 -0.289 0.000 1.208 362 F HN 0.388 nan 8.300 nan 0.000 0.579 363 V N -1.466 118.168 119.914 -0.466 0.000 3.578 363 V HA 0.712 4.831 4.120 -0.001 0.000 0.290 363 V C 0.338 176.014 176.094 -0.697 0.000 1.376 363 V CA 0.347 62.338 62.300 -0.515 0.000 1.083 363 V CB -0.550 31.130 31.823 -0.238 0.000 0.911 363 V HN 1.599 nan 8.190 nan 0.000 0.433 364 G N -0.642 107.500 108.800 -1.097 0.000 2.326 364 G HA2 0.191 4.151 3.960 -0.001 0.000 0.413 364 G HA3 0.191 4.151 3.960 -0.001 0.000 0.413 364 G C -1.422 173.314 174.900 -0.274 0.000 1.444 364 G CA -0.770 43.892 45.100 -0.730 0.000 1.002 364 G HN 0.228 nan 8.290 nan 0.000 0.649 365 Y N 0.001 120.404 120.300 0.171 0.000 2.359 365 Y HA 0.482 5.031 4.550 -0.001 0.000 0.334 365 Y C 1.136 177.064 175.900 0.045 0.000 1.058 365 Y CA -0.713 57.471 58.100 0.141 0.000 1.244 365 Y CB 1.354 39.900 38.460 0.144 0.000 1.187 365 Y HN 0.609 nan 8.280 nan 0.000 0.510 366 L N 5.086 126.403 121.223 0.157 0.000 2.660 366 L HA -0.069 4.271 4.340 -0.001 0.000 0.272 366 L C 0.338 177.263 176.870 0.091 0.000 1.194 366 L CA 0.580 55.469 54.840 0.082 0.000 0.945 366 L CB -0.761 41.325 42.059 0.045 0.000 1.212 366 L HN 0.887 nan 8.230 nan 0.000 0.490 367 N N 2.294 121.035 118.700 0.069 0.000 2.708 367 N HA -0.264 4.475 4.740 -0.001 0.000 0.251 367 N C -0.595 174.960 175.510 0.074 0.000 1.123 367 N CA 1.054 54.139 53.050 0.059 0.000 0.739 367 N CB -0.924 37.590 38.487 0.046 0.000 1.113 367 N HN 0.781 nan 8.380 nan 0.000 0.561 368 Q N -0.734 119.134 119.800 0.114 0.000 2.943 368 Q HA 0.169 4.509 4.340 -0.001 0.000 0.327 368 Q C -1.818 174.270 176.000 0.147 0.000 0.937 368 Q CA -1.630 54.244 55.803 0.118 0.000 0.914 368 Q CB 1.175 29.977 28.738 0.107 0.000 1.339 368 Q HN 0.199 nan 8.270 nan 0.000 0.417 369 P HA -0.255 nan 4.420 nan 0.000 0.218 369 P C 1.094 178.448 177.300 0.090 0.000 1.149 369 P CA 1.304 64.452 63.100 0.081 0.000 0.817 369 P CB 0.403 32.131 31.700 0.047 0.000 0.785 370 Q N 0.828 120.677 119.800 0.083 0.000 2.046 370 Q HA -0.108 4.232 4.340 -0.001 0.000 0.200 370 Q C 2.251 178.323 176.000 0.119 0.000 0.975 370 Q CA 1.984 57.836 55.803 0.081 0.000 0.836 370 Q CB -1.807 26.966 28.738 0.057 0.000 0.896 370 Q HN 0.141 nan 8.270 nan 0.000 0.428 371 A N 1.700 124.601 122.820 0.136 0.000 1.869 371 A HA -0.238 4.082 4.320 -0.001 0.000 0.218 371 A C 2.442 180.249 177.584 0.373 0.000 1.203 371 A CA 2.850 55.001 52.037 0.190 0.000 0.638 371 A CB -1.462 17.592 19.000 0.091 0.000 0.831 371 A HN 0.559 nan 8.150 nan 0.000 0.450 372 T N 0.313 115.118 114.554 0.418 0.000 2.635 372 T HA -0.119 4.231 4.350 -0.001 0.000 0.267 372 T C 2.094 176.913 174.700 0.199 0.000 1.040 372 T CA 2.054 64.339 62.100 0.308 0.000 1.156 372 T CB -0.577 68.354 68.868 0.105 0.000 0.863 372 T HN 0.683 nan 8.240 nan 0.000 0.430 373 A N 0.819 123.721 122.820 0.137 0.000 2.172 373 A HA -0.038 4.281 4.320 -0.001 0.000 0.216 373 A C 2.049 179.704 177.584 0.118 0.000 1.154 373 A CA 1.195 53.293 52.037 0.101 0.000 0.701 373 A CB -0.469 18.572 19.000 0.068 0.000 0.789 373 A HN 0.578 nan 8.150 nan 0.000 0.465 374 E N -0.779 119.513 120.200 0.153 0.000 2.285 374 E HA -0.063 4.287 4.350 -0.001 0.000 0.194 374 E C 1.585 178.283 176.600 0.162 0.000 0.997 374 E CA 0.631 57.113 56.400 0.137 0.000 0.845 374 E CB 0.166 29.942 29.700 0.127 0.000 0.782 374 E HN 0.304 nan 8.360 nan 0.000 0.491 375 K N -0.311 120.244 120.400 0.257 0.000 2.306 375 K HA 0.199 4.518 4.320 -0.001 0.000 0.200 375 K C 0.455 177.255 176.600 0.334 0.000 1.083 375 K CA 0.236 56.722 56.287 0.333 0.000 0.959 375 K CB 0.541 33.433 32.500 0.653 0.000 0.994 375 K HN 0.060 nan 8.250 nan 0.000 0.492 376 L N 2.641 124.028 121.223 0.273 0.000 2.259 376 L HA 0.303 4.642 4.340 -0.001 0.000 0.288 376 L C -0.574 176.378 176.870 0.136 0.000 1.051 376 L CA -0.240 54.715 54.840 0.192 0.000 0.824 376 L CB 1.032 43.105 42.059 0.024 0.000 1.206 376 L HN -0.000 nan 8.230 nan 0.000 0.429 377 Q N 2.851 122.755 119.800 0.173 0.000 2.310 377 Q HA 0.192 4.531 4.340 -0.001 0.000 0.270 377 Q C -0.823 175.306 176.000 0.215 0.000 1.025 377 Q CA -0.631 55.265 55.803 0.154 0.000 0.772 377 Q CB 1.711 30.524 28.738 0.125 0.000 1.253 377 Q HN 0.465 nan 8.270 nan 0.000 0.450 378 D N 2.978 123.471 120.400 0.155 0.000 2.720 378 D HA -0.233 4.406 4.640 -0.001 0.000 0.229 378 D C 0.523 176.935 176.300 0.187 0.000 1.198 378 D CA 1.392 55.492 54.000 0.168 0.000 0.639 378 D CB -1.003 39.914 40.800 0.196 0.000 1.003 378 D HN 1.121 nan 8.370 nan 0.000 0.411 379 G N -1.140 107.707 108.800 0.078 0.000 2.203 379 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.263 379 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.263 379 G C -0.114 174.674 174.900 -0.187 0.000 1.012 379 G CA 0.559 45.624 45.100 -0.058 0.000 0.749 379 G HN 0.426 nan 8.290 nan 0.000 0.512 380 W N -1.353 119.983 121.300 0.060 0.000 2.689 380 W HA 0.671 5.331 4.660 -0.001 0.000 0.340 380 W C -0.024 176.581 176.519 0.143 0.000 1.060 380 W CA -1.498 55.899 57.345 0.085 0.000 1.218 380 W CB 0.960 30.451 29.460 0.050 0.000 1.410 380 W HN 0.156 nan 8.180 nan 0.000 0.528 381 Y N 3.216 123.708 120.300 0.320 0.000 2.326 381 Y HA 0.472 5.021 4.550 -0.001 0.000 0.337 381 Y C 0.120 176.170 175.900 0.250 0.000 1.023 381 Y CA -1.310 56.948 58.100 0.263 0.000 1.143 381 Y CB 0.687 39.276 38.460 0.215 0.000 1.183 381 Y HN 0.303 nan 8.280 nan 0.000 0.485 382 R N 4.488 124.535 120.500 -0.754 0.000 2.196 382 R HA 0.115 4.455 4.340 -0.001 0.000 0.340 382 R C 1.137 176.933 176.300 -0.839 0.000 1.043 382 R CA 0.491 56.250 56.100 -0.568 0.000 0.883 382 R CB 0.652 30.815 30.300 -0.228 0.000 1.078 382 R HN 0.933 nan 8.270 nan 0.000 0.462 383 T N -1.288 113.004 114.554 -0.438 0.000 2.962 383 T HA -0.122 4.228 4.350 -0.001 0.000 0.270 383 T C 1.027 175.710 174.700 -0.030 0.000 1.088 383 T CA 0.836 62.851 62.100 -0.142 0.000 1.127 383 T CB -0.083 68.868 68.868 0.138 0.000 0.883 383 T HN 0.597 nan 8.240 nan 0.000 0.493 384 S N 0.744 116.409 115.700 -0.058 0.000 3.358 384 S HA -0.138 4.332 4.470 -0.001 0.000 0.309 384 S C -0.311 174.312 174.600 0.039 0.000 1.247 384 S CA 0.989 59.191 58.200 0.003 0.000 0.961 384 S CB -1.718 61.499 63.200 0.028 0.000 1.074 384 S HN 0.744 nan 8.310 nan 0.000 0.625 385 D N 0.184 120.611 120.400 0.046 0.000 2.228 385 D HA 0.594 5.234 4.640 -0.001 0.000 0.247 385 D C -0.012 176.287 176.300 -0.001 0.000 0.995 385 D CA -0.349 53.683 54.000 0.054 0.000 0.903 385 D CB 1.617 42.486 40.800 0.115 0.000 1.205 385 D HN 0.078 nan 8.370 nan 0.000 0.459 386 V N 1.245 121.151 119.914 -0.013 0.000 2.394 386 V HA 0.726 4.845 4.120 -0.001 0.000 0.282 386 V C 0.288 176.293 176.094 -0.148 0.000 1.031 386 V CA -0.416 61.859 62.300 -0.042 0.000 0.881 386 V CB 1.024 32.890 31.823 0.072 0.000 0.982 386 V HN 0.696 nan 8.190 nan 0.000 0.451 387 A N 4.320 127.040 122.820 -0.166 0.000 2.486 387 A HA 0.971 5.291 4.320 -0.001 0.000 0.289 387 A C -1.129 176.329 177.584 -0.210 0.000 1.176 387 A CA -0.732 51.159 52.037 -0.244 0.000 0.757 387 A CB 2.289 21.080 19.000 -0.348 0.000 1.337 387 A HN 0.938 nan 8.150 nan 0.000 0.423 388 V N -0.761 119.007 119.914 -0.243 0.000 2.888 388 V HA 0.587 4.706 4.120 -0.001 0.000 0.309 388 V C -1.922 174.038 176.094 -0.223 0.000 1.114 388 V CA -0.776 61.428 62.300 -0.160 0.000 0.940 388 V CB 1.794 33.587 31.823 -0.050 0.000 1.021 388 V HN 0.890 nan 8.190 nan 0.000 0.426 389 W N 4.478 125.760 121.300 -0.030 0.000 2.446 389 W HA 0.423 5.082 4.660 -0.001 0.000 0.316 389 W C 1.149 177.657 176.519 -0.018 0.000 1.376 389 W CA 0.070 57.401 57.345 -0.025 0.000 1.300 389 W CB 0.909 30.357 29.460 -0.020 0.000 1.351 389 W HN 0.764 nan 8.180 nan 0.000 0.530 390 T N 1.609 116.291 114.554 0.214 0.000 2.926 390 T HA 0.086 4.436 4.350 -0.001 0.000 0.307 390 T C -1.603 173.188 174.700 0.152 0.000 1.059 390 T CA -1.332 60.851 62.100 0.138 0.000 1.122 390 T CB 1.213 70.131 68.868 0.085 0.000 0.972 390 T HN 0.187 nan 8.240 nan 0.000 0.545 391 P HA -0.088 nan 4.420 nan 0.000 0.220 391 P C 0.674 178.008 177.300 0.057 0.000 1.144 391 P CA 0.936 64.074 63.100 0.064 0.000 0.800 391 P CB -0.067 31.659 31.700 0.042 0.000 0.772 392 E N -1.257 118.984 120.200 0.069 0.000 2.485 392 E HA 0.221 4.571 4.350 -0.001 0.000 0.194 392 E C 1.419 178.071 176.600 0.087 0.000 1.098 392 E CA 0.574 57.010 56.400 0.060 0.000 0.878 392 E CB -1.107 28.622 29.700 0.048 0.000 0.939 392 E HN 0.134 nan 8.360 nan 0.000 0.503 393 G N 1.145 110.022 108.800 0.127 0.000 2.179 393 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.257 393 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.257 393 G C 0.495 175.624 174.900 0.381 0.000 1.010 393 G CA 0.848 46.046 45.100 0.164 0.000 0.736 393 G HN 0.455 nan 8.290 nan 0.000 0.513 394 T N -3.334 111.428 114.554 0.347 0.000 2.949 394 T HA 0.738 5.088 4.350 -0.001 0.000 0.287 394 T C -0.111 174.612 174.700 0.038 0.000 1.034 394 T CA -0.531 61.705 62.100 0.227 0.000 1.018 394 T CB 2.768 71.675 68.868 0.065 0.000 1.135 394 T HN 0.688 nan 8.240 nan 0.000 0.532 395 V N 1.449 121.208 119.914 -0.258 0.000 2.394 395 V HA 0.538 4.658 4.120 -0.001 0.000 0.282 395 V C 0.305 176.211 176.094 -0.313 0.000 1.031 395 V CA -0.864 61.111 62.300 -0.543 0.000 0.881 395 V CB 1.167 32.565 31.823 -0.708 0.000 0.982 395 V HN 0.909 nan 8.190 nan 0.000 0.451 396 R N 5.371 125.701 120.500 -0.283 0.000 2.246 396 R HA 0.463 4.803 4.340 -0.001 0.000 0.332 396 R C -0.652 175.505 176.300 -0.239 0.000 0.974 396 R CA -0.637 55.345 56.100 -0.197 0.000 0.837 396 R CB 0.606 30.834 30.300 -0.120 0.000 1.145 396 R HN 0.564 nan 8.270 nan 0.000 0.467 397 I N 7.147 127.581 120.570 -0.226 0.000 2.533 397 I HA -0.018 4.151 4.170 -0.001 0.000 0.284 397 I C 0.955 176.961 176.117 -0.185 0.000 1.109 397 I CA 0.299 61.469 61.300 -0.217 0.000 1.412 397 I CB 0.925 38.827 38.000 -0.164 0.000 1.396 397 I HN 0.854 nan 8.210 nan 0.000 0.543 398 L N 5.315 126.378 121.223 -0.267 0.000 2.515 398 L HA 0.399 4.739 4.340 -0.001 0.000 0.223 398 L C 0.979 177.626 176.870 -0.372 0.000 1.079 398 L CA 0.219 54.795 54.840 -0.439 0.000 0.857 398 L CB 0.235 41.771 42.059 -0.872 0.000 1.050 398 L HN 0.890 nan 8.230 nan 0.000 0.476 399 G N -0.084 108.602 108.800 -0.189 0.000 2.369 399 G HA2 0.016 3.976 3.960 -0.001 0.000 0.307 399 G HA3 0.016 3.976 3.960 -0.001 0.000 0.307 399 G C -1.295 173.652 174.900 0.078 0.000 1.327 399 G CA -0.997 44.108 45.100 0.007 0.000 0.963 399 G HN -0.112 nan 8.290 nan 0.000 0.590 400 R N -0.393 120.175 120.500 0.115 0.000 2.438 400 R HA 0.380 4.720 4.340 -0.001 0.000 0.287 400 R C 1.502 177.870 176.300 0.114 0.000 1.077 400 R CA -0.259 55.902 56.100 0.102 0.000 1.034 400 R CB 1.451 31.802 30.300 0.086 0.000 0.993 400 R HN 0.306 nan 8.270 nan 0.000 0.459 401 V N 2.596 122.562 119.914 0.087 0.000 2.490 401 V HA -0.251 3.868 4.120 -0.001 0.000 0.250 401 V C 1.616 177.743 176.094 0.055 0.000 1.061 401 V CA 2.187 64.531 62.300 0.075 0.000 1.064 401 V CB -0.425 31.426 31.823 0.047 0.000 0.670 401 V HN 0.786 nan 8.190 nan 0.000 0.461 402 D N -0.220 120.211 120.400 0.050 0.000 2.144 402 D HA -0.153 4.487 4.640 -0.001 0.000 0.200 402 D C 1.607 177.928 176.300 0.036 0.000 0.978 402 D CA 1.109 55.131 54.000 0.037 0.000 0.833 402 D CB -0.019 40.802 40.800 0.035 0.000 0.961 402 D HN 0.410 nan 8.370 nan 0.000 0.470 403 D N -0.347 120.083 120.400 0.051 0.000 2.347 403 D HA -0.016 4.624 4.640 -0.001 0.000 0.213 403 D C 0.824 177.143 176.300 0.032 0.000 0.985 403 D CA 0.005 54.033 54.000 0.046 0.000 0.879 403 D CB -0.192 40.646 40.800 0.064 0.000 0.919 403 D HN 0.333 nan 8.370 nan 0.000 0.526 404 M N 0.755 120.370 119.600 0.026 0.000 2.247 404 M HA 0.005 4.484 4.480 -0.001 0.000 0.318 404 M C -0.333 175.922 176.300 -0.076 0.000 1.054 404 M CA 0.746 56.005 55.300 -0.069 0.000 1.117 404 M CB 0.553 33.107 32.600 -0.076 0.000 1.515 404 M HN -0.195 nan 8.290 nan 0.000 0.442 405 I N 4.592 125.088 120.570 -0.123 0.000 2.436 405 I HA 0.340 4.509 4.170 -0.001 0.000 0.289 405 I C -0.809 175.270 176.117 -0.064 0.000 1.010 405 I CA -0.346 60.916 61.300 -0.064 0.000 1.098 405 I CB 1.794 39.771 38.000 -0.039 0.000 1.266 405 I HN 0.559 nan 8.210 nan 0.000 0.434 406 I N 5.258 125.809 120.570 -0.033 0.000 2.330 406 I HA 0.223 4.392 4.170 -0.001 0.000 0.286 406 I C -0.088 176.029 176.117 -0.001 0.000 1.025 406 I CA -0.033 61.253 61.300 -0.023 0.000 1.197 406 I CB 1.315 39.308 38.000 -0.012 0.000 1.358 406 I HN 0.437 nan 8.210 nan 0.000 0.467 407 S N 4.999 120.697 115.700 -0.004 0.000 2.566 407 S HA 0.523 4.992 4.470 -0.001 0.000 0.324 407 S C 0.508 175.109 174.600 0.003 0.000 1.081 407 S CA -0.275 57.933 58.200 0.014 0.000 1.105 407 S CB 0.894 64.116 63.200 0.036 0.000 0.981 407 S HN 0.970 nan 8.310 nan 0.000 0.464 408 G N 3.470 112.291 108.800 0.035 0.000 2.306 408 G HA2 0.008 3.968 3.960 -0.001 0.000 0.274 408 G HA3 0.008 3.968 3.960 -0.001 0.000 0.274 408 G C 1.227 176.114 174.900 -0.023 0.000 0.890 408 G CA 0.461 45.581 45.100 0.034 0.000 1.298 408 G HN 2.163 nan 8.290 nan 0.000 0.445 409 G N -0.547 108.241 108.800 -0.020 0.000 2.189 409 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.267 409 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.267 409 G C 0.278 175.123 174.900 -0.092 0.000 0.975 409 G CA 1.385 46.456 45.100 -0.050 0.000 0.644 409 G HN 1.249 nan 8.290 nan 0.000 0.537 410 E N 0.018 120.146 120.200 -0.119 0.000 2.207 410 E HA 0.606 4.956 4.350 -0.001 0.000 0.270 410 E C -0.460 176.079 176.600 -0.101 0.000 0.927 410 E CA -0.944 55.343 56.400 -0.188 0.000 0.799 410 E CB 0.589 30.048 29.700 -0.402 0.000 1.172 410 E HN 0.123 nan 8.360 nan 0.000 0.404 411 N N 2.570 121.225 118.700 -0.075 0.000 2.426 411 N HA 0.364 5.104 4.740 -0.001 0.000 0.257 411 N C -0.984 174.495 175.510 -0.053 0.000 1.002 411 N CA -0.104 52.900 53.050 -0.076 0.000 0.942 411 N CB 0.537 39.008 38.487 -0.027 0.000 1.112 411 N HN 0.397 nan 8.380 nan 0.000 0.499 412 I N 2.619 123.095 120.570 -0.157 0.000 2.418 412 I HA 0.176 4.346 4.170 -0.001 0.000 0.287 412 I C -0.370 175.565 176.117 -0.303 0.000 1.008 412 I CA -0.709 60.537 61.300 -0.091 0.000 1.104 412 I CB 1.306 39.333 38.000 0.045 0.000 1.264 412 I HN 0.306 nan 8.210 nan 0.000 0.438 413 H N 7.675 126.783 119.070 0.064 0.000 2.641 413 H HA 0.194 4.749 4.556 -0.001 0.000 0.295 413 H C -1.732 173.619 175.328 0.039 0.000 1.070 413 H CA -1.800 54.275 56.048 0.045 0.000 1.257 413 H CB 1.266 31.052 29.762 0.039 0.000 1.393 413 H HN 0.377 nan 8.280 nan 0.000 0.464 414 P HA -0.268 nan 4.420 nan 0.000 0.217 414 P C 1.611 178.963 177.300 0.087 0.000 1.158 414 P CA 1.817 64.961 63.100 0.072 0.000 0.887 414 P CB 0.191 31.924 31.700 0.055 0.000 0.792 415 S N 0.045 115.809 115.700 0.106 0.000 2.374 415 S HA -0.258 4.212 4.470 -0.001 0.000 0.227 415 S C 2.113 176.760 174.600 0.078 0.000 1.037 415 S CA 1.558 59.809 58.200 0.085 0.000 1.024 415 S CB -1.345 61.903 63.200 0.079 0.000 0.861 415 S HN 0.269 nan 8.310 nan 0.000 0.456 416 E N 1.265 121.520 120.200 0.092 0.000 2.038 416 E HA -0.164 4.186 4.350 -0.001 0.000 0.195 416 E C 2.036 178.675 176.600 0.066 0.000 1.000 416 E CA 1.692 58.135 56.400 0.072 0.000 0.803 416 E CB -0.311 29.436 29.700 0.077 0.000 0.750 416 E HN 0.680 nan 8.360 nan 0.000 0.448 417 I N 0.926 121.536 120.570 0.065 0.000 2.226 417 I HA -0.256 3.914 4.170 -0.001 0.000 0.245 417 I C 2.286 178.448 176.117 0.075 0.000 1.100 417 I CA 1.299 62.636 61.300 0.062 0.000 1.374 417 I CB -0.340 37.687 38.000 0.044 0.000 1.057 417 I HN 0.131 nan 8.210 nan 0.000 0.413 418 E N 0.662 120.903 120.200 0.068 0.000 2.130 418 E HA -0.246 4.104 4.350 -0.001 0.000 0.196 418 E C 2.332 178.971 176.600 0.066 0.000 0.998 418 E CA 1.110 57.548 56.400 0.065 0.000 0.806 418 E CB -0.131 29.603 29.700 0.057 0.000 0.738 418 E HN 0.430 nan 8.360 nan 0.000 0.459 419 R N 0.174 120.715 120.500 0.067 0.000 2.090 419 R HA -0.069 4.270 4.340 -0.001 0.000 0.228 419 R C 2.361 178.714 176.300 0.089 0.000 1.110 419 R CA 0.877 57.017 56.100 0.066 0.000 0.973 419 R CB -0.053 30.282 30.300 0.059 0.000 0.869 419 R HN 0.067 nan 8.270 nan 0.000 0.440 420 V N 1.417 121.398 119.914 0.112 0.000 2.255 420 V HA -0.203 3.917 4.120 -0.001 0.000 0.243 420 V C 2.315 178.549 176.094 0.234 0.000 1.038 420 V CA 1.524 63.934 62.300 0.184 0.000 1.008 420 V CB -0.451 31.475 31.823 0.171 0.000 0.645 420 V HN 0.267 nan 8.190 nan 0.000 0.449 421 L N 0.814 122.139 121.223 0.169 0.000 2.129 421 L HA -0.149 4.191 4.340 -0.001 0.000 0.212 421 L C 2.551 179.405 176.870 -0.025 0.000 1.087 421 L CA 1.628 56.512 54.840 0.074 0.000 0.757 421 L CB -1.104 41.022 42.059 0.112 0.000 0.896 421 L HN 0.523 nan 8.230 nan 0.000 0.434 422 G N -0.856 107.956 108.800 0.021 0.000 2.498 422 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.219 422 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.219 422 G C 1.604 176.488 174.900 -0.028 0.000 1.119 422 G CA 1.294 46.393 45.100 -0.001 0.000 0.766 422 G HN 0.485 nan 8.290 nan 0.000 0.552 423 T N -2.372 112.169 114.554 -0.022 0.000 3.022 423 T HA 0.569 4.919 4.350 -0.001 0.000 0.250 423 T C 1.307 175.877 174.700 -0.216 0.000 1.060 423 T CA 0.622 62.710 62.100 -0.021 0.000 1.013 423 T CB 0.128 69.070 68.868 0.124 0.000 0.982 423 T HN 0.383 nan 8.240 nan 0.000 0.508 424 A N 3.510 125.957 122.820 -0.621 0.000 2.565 424 A HA 0.463 4.783 4.320 -0.001 0.000 0.237 424 A C -2.284 174.984 177.584 -0.526 0.000 1.053 424 A CA -0.937 50.340 52.037 -1.266 0.000 0.755 424 A CB -0.367 17.848 19.000 -1.309 0.000 0.980 424 A HN 0.378 nan 8.150 nan 0.000 0.506 425 P HA 0.375 nan 4.420 nan 0.000 0.271 425 P C 0.936 178.136 177.300 -0.166 0.000 1.216 425 P CA 1.244 64.242 63.100 -0.172 0.000 0.776 425 P CB 0.926 32.577 31.700 -0.081 0.000 0.881 426 G N 0.905 109.638 108.800 -0.112 0.000 2.176 426 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.232 426 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.232 426 G C -0.137 174.712 174.900 -0.085 0.000 0.986 426 G CA -0.243 44.804 45.100 -0.089 0.000 0.643 426 G HN 0.537 nan 8.290 nan 0.000 0.522 427 V N 1.649 121.500 119.914 -0.106 0.000 2.348 427 V HA 0.526 4.645 4.120 -0.001 0.000 0.270 427 V C 1.499 177.565 176.094 -0.046 0.000 1.037 427 V CA 0.913 63.165 62.300 -0.079 0.000 0.872 427 V CB 1.142 32.903 31.823 -0.104 0.000 1.002 427 V HN 0.363 nan 8.190 nan 0.000 0.464 428 T N 4.430 118.969 114.554 -0.025 0.000 2.894 428 T HA 0.066 4.415 4.350 -0.001 0.000 0.258 428 T C 0.520 175.219 174.700 -0.002 0.000 1.043 428 T CA 1.189 63.282 62.100 -0.012 0.000 1.141 428 T CB 0.160 69.024 68.868 -0.006 0.000 0.873 428 T HN 0.887 nan 8.240 nan 0.000 0.449 429 E N -0.745 119.457 120.200 0.005 0.000 2.412 429 E HA 0.642 4.992 4.350 -0.001 0.000 0.279 429 E C -1.717 174.898 176.600 0.025 0.000 0.984 429 E CA -1.078 55.331 56.400 0.014 0.000 0.788 429 E CB 2.059 31.769 29.700 0.017 0.000 1.277 429 E HN 0.006 nan 8.360 nan 0.000 0.455 430 V N 1.180 121.114 119.914 0.033 0.000 2.888 430 V HA 0.651 4.770 4.120 -0.001 0.000 0.309 430 V C -1.700 174.422 176.094 0.048 0.000 1.114 430 V CA -0.526 61.804 62.300 0.050 0.000 0.940 430 V CB 2.047 33.906 31.823 0.059 0.000 1.021 430 V HN 0.659 nan 8.190 nan 0.000 0.426 431 V N 5.877 125.821 119.914 0.051 0.000 2.709 431 V HA 0.591 4.711 4.120 -0.001 0.000 0.308 431 V C -0.516 175.603 176.094 0.041 0.000 1.062 431 V CA -0.705 61.620 62.300 0.042 0.000 0.901 431 V CB 1.922 33.764 31.823 0.031 0.000 1.003 431 V HN 0.675 nan 8.190 nan 0.000 0.425 432 V N 5.885 125.820 119.914 0.034 0.000 2.398 432 V HA 0.572 4.692 4.120 -0.001 0.000 0.286 432 V C -0.052 176.052 176.094 0.016 0.000 1.026 432 V CA -0.296 62.016 62.300 0.020 0.000 0.868 432 V CB 1.371 33.204 31.823 0.016 0.000 0.982 432 V HN 0.799 nan 8.190 nan 0.000 0.443 433 I N 1.639 122.215 120.570 0.009 0.000 3.023 433 I HA 0.933 5.103 4.170 -0.001 0.000 0.312 433 I C 0.461 176.576 176.117 -0.003 0.000 1.056 433 I CA -1.012 60.291 61.300 0.004 0.000 1.033 433 I CB 2.178 40.177 38.000 -0.001 0.000 1.233 433 I HN 0.594 nan 8.210 nan 0.000 0.462 434 G N 3.790 112.586 108.800 -0.008 0.000 2.428 434 G HA2 0.521 4.480 3.960 -0.001 0.000 0.320 434 G HA3 0.521 4.480 3.960 -0.001 0.000 0.320 434 G C -0.480 174.409 174.900 -0.018 0.000 1.098 434 G CA -0.535 44.557 45.100 -0.015 0.000 0.984 434 G HN 0.516 nan 8.290 nan 0.000 0.444 435 L N 1.952 123.163 121.223 -0.020 0.000 2.416 435 L HA 0.261 4.600 4.340 -0.001 0.000 0.272 435 L C 1.233 178.070 176.870 -0.055 0.000 1.161 435 L CA -0.536 54.288 54.840 -0.025 0.000 0.845 435 L CB 1.167 43.225 42.059 -0.001 0.000 1.119 435 L HN 0.572 nan 8.230 nan 0.000 0.464 436 A N 3.035 125.825 122.820 -0.049 0.000 2.541 436 A HA 0.464 4.783 4.320 -0.001 0.000 0.293 436 A C 0.134 177.644 177.584 -0.123 0.000 1.307 436 A CA 0.755 52.761 52.037 -0.051 0.000 0.978 436 A CB -0.761 18.226 19.000 -0.021 0.000 1.111 436 A HN 0.978 nan 8.150 nan 0.000 0.535 437 D N 0.133 120.398 120.400 -0.224 0.000 4.734 437 D HA 0.802 5.442 4.640 -0.001 0.000 0.324 437 D C -0.021 175.699 176.300 -0.966 0.000 1.750 437 D CA 0.869 54.588 54.000 -0.467 0.000 0.980 437 D CB -0.071 40.546 40.800 -0.304 0.000 1.512 437 D HN 1.552 nan 8.370 nan 0.000 0.685 438 Q N -2.143 117.140 119.800 -0.862 0.000 2.707 438 Q HA 0.914 5.253 4.340 -0.001 0.000 0.307 438 Q C 0.725 176.436 176.000 -0.482 0.000 0.934 438 Q CA 1.278 56.340 55.803 -1.234 0.000 0.753 438 Q CB 1.353 29.061 28.738 -1.718 0.000 1.478 438 Q HN 2.098 nan 8.270 nan 0.000 0.458 439 R N -2.105 118.231 120.500 -0.274 0.000 1.173 439 R HA -0.077 4.263 4.340 -0.001 0.000 0.012 439 R C -1.073 175.341 176.300 0.189 0.000 0.961 439 R CA 2.453 58.554 56.100 0.001 0.000 1.989 439 R CB -1.658 28.628 30.300 -0.022 0.000 0.118 439 R HN 1.577 nan 8.270 nan 0.000 0.732 440 W N -2.404 118.894 121.300 -0.002 0.000 3.307 440 W HA 0.391 5.051 4.660 -0.001 0.000 0.333 440 W C 0.953 177.468 176.519 -0.007 0.000 0.835 440 W CA 0.508 57.850 57.345 -0.004 0.000 0.882 440 W CB -0.205 29.252 29.460 -0.006 0.000 1.389 440 W HN 1.039 nan 8.180 nan 0.000 0.527 441 G N 0.885 109.969 108.800 0.472 0.000 5.229 441 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.250 441 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.250 441 G C 0.078 175.014 174.900 0.061 0.000 1.380 441 G CA 0.980 46.242 45.100 0.270 0.000 0.933 441 G HN 0.645 nan 8.290 nan 0.000 0.731 442 Q N -0.272 119.528 119.800 0.002 0.000 2.320 442 Q HA 0.574 4.914 4.340 -0.001 0.000 0.272 442 Q C -1.244 174.721 176.000 -0.059 0.000 1.023 442 Q CA -0.083 55.694 55.803 -0.044 0.000 0.855 442 Q CB 2.292 31.023 28.738 -0.012 0.000 1.367 442 Q HN 0.528 nan 8.270 nan 0.000 0.406 443 S N 1.552 117.202 115.700 -0.083 0.000 2.451 443 S HA 0.478 4.948 4.470 -0.001 0.000 0.301 443 S C -0.507 174.063 174.600 -0.050 0.000 1.116 443 S CA -0.498 57.658 58.200 -0.073 0.000 1.093 443 S CB 0.992 64.129 63.200 -0.105 0.000 1.017 443 S HN 0.406 nan 8.310 nan 0.000 0.482 444 V N 5.701 125.589 119.914 -0.042 0.000 2.479 444 V HA 0.285 4.404 4.120 -0.001 0.000 0.281 444 V C 0.350 176.389 176.094 -0.092 0.000 1.031 444 V CA 0.287 62.558 62.300 -0.048 0.000 1.038 444 V CB 0.730 32.532 31.823 -0.034 0.000 0.981 444 V HN 0.971 nan 8.190 nan 0.000 0.478 445 T N 4.669 119.179 114.554 -0.074 0.000 2.848 445 T HA 0.679 5.028 4.350 -0.001 0.000 0.285 445 T C -0.150 174.498 174.700 -0.086 0.000 0.995 445 T CA -0.332 61.717 62.100 -0.085 0.000 0.970 445 T CB 1.698 70.600 68.868 0.057 0.000 0.976 445 T HN 0.837 nan 8.240 nan 0.000 0.441 446 A N 1.684 124.375 122.820 -0.215 0.000 2.276 446 A HA 0.615 4.935 4.320 -0.001 0.000 0.316 446 A C -0.110 177.529 177.584 0.092 0.000 1.229 446 A CA -0.596 51.379 52.037 -0.103 0.000 0.851 446 A CB 0.219 19.092 19.000 -0.213 0.000 1.165 446 A HN 0.964 nan 8.150 nan 0.000 0.513 447 C N 3.162 122.540 119.300 0.130 0.000 2.264 447 C HA 0.624 5.083 4.460 -0.001 0.000 0.322 447 C C 0.410 175.484 174.990 0.139 0.000 1.210 447 C CA -0.577 58.544 59.018 0.171 0.000 1.539 447 C CB -0.349 27.455 27.740 0.108 0.000 2.167 447 C HN 0.823 nan 8.230 nan 0.000 0.463 448 V N 4.468 124.478 119.914 0.161 0.000 2.864 448 V HA 0.918 5.037 4.120 -0.001 0.000 0.314 448 V C -0.964 175.174 176.094 0.073 0.000 1.073 448 V CA -0.366 61.999 62.300 0.108 0.000 0.956 448 V CB 2.216 34.106 31.823 0.112 0.000 1.023 448 V HN 0.497 nan 8.190 nan 0.000 0.435 449 V N 5.578 125.517 119.914 0.042 0.000 2.444 449 V HA 0.542 4.661 4.120 -0.001 0.000 0.294 449 V C -2.455 173.643 176.094 0.007 0.000 1.022 449 V CA -1.738 60.578 62.300 0.026 0.000 0.850 449 V CB 1.743 33.579 31.823 0.022 0.000 0.992 449 V HN 0.928 nan 8.190 nan 0.000 0.426 450 P HA 0.344 nan 4.420 nan 0.000 0.276 450 P C -0.307 176.985 177.300 -0.013 0.000 1.244 450 P CA -0.622 62.470 63.100 -0.014 0.000 0.801 450 P CB 0.693 32.386 31.700 -0.013 0.000 1.006 451 R N 0.929 121.416 120.500 -0.020 0.000 2.679 451 R HA 0.114 4.454 4.340 -0.001 0.000 0.268 451 R C 0.179 176.472 176.300 -0.011 0.000 1.044 451 R CA -0.667 55.424 56.100 -0.015 0.000 1.105 451 R CB -0.195 30.093 30.300 -0.020 0.000 0.989 451 R HN 0.429 nan 8.270 nan 0.000 0.447 452 L N 2.852 124.071 121.223 -0.006 0.000 2.706 452 L HA -0.081 4.258 4.340 -0.001 0.000 0.282 452 L C 1.135 178.001 176.870 -0.006 0.000 1.219 452 L CA 2.223 57.061 54.840 -0.004 0.000 0.935 452 L CB 0.101 42.159 42.059 -0.002 0.000 1.204 452 L HN 0.939 nan 8.230 nan 0.000 0.491 453 G N 2.540 111.337 108.800 -0.006 0.000 2.254 453 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.225 453 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.225 453 G C 0.376 175.271 174.900 -0.009 0.000 1.003 453 G CA 0.189 45.285 45.100 -0.007 0.000 0.622 453 G HN 0.647 nan 8.290 nan 0.000 0.507 454 E N 0.490 120.682 120.200 -0.013 0.000 2.250 454 E HA 0.567 4.916 4.350 -0.001 0.000 0.269 454 E C -0.441 176.147 176.600 -0.020 0.000 1.018 454 E CA -0.247 56.142 56.400 -0.018 0.000 0.873 454 E CB 1.221 30.907 29.700 -0.024 0.000 1.134 454 E HN 0.070 nan 8.360 nan 0.000 0.403 455 T N 1.661 116.201 114.554 -0.024 0.000 2.902 455 T HA 0.503 4.852 4.350 -0.001 0.000 0.283 455 T C -0.433 174.241 174.700 -0.043 0.000 1.009 455 T CA -0.445 61.639 62.100 -0.028 0.000 1.051 455 T CB 0.407 69.260 68.868 -0.025 0.000 0.999 455 T HN 0.208 nan 8.240 nan 0.000 0.474 456 L N 2.206 123.401 121.223 -0.047 0.000 2.323 456 L HA 0.783 5.122 4.340 -0.001 0.000 0.265 456 L C -0.120 176.699 176.870 -0.084 0.000 1.012 456 L CA -0.920 53.874 54.840 -0.077 0.000 0.820 456 L CB 2.298 44.308 42.059 -0.082 0.000 1.334 456 L HN 0.723 nan 8.230 nan 0.000 0.427 457 S N -0.377 115.248 115.700 -0.126 0.000 2.564 457 S HA 0.643 5.113 4.470 -0.001 0.000 0.274 457 S C 0.244 174.706 174.600 -0.229 0.000 1.124 457 S CA -0.106 58.017 58.200 -0.129 0.000 0.869 457 S CB 1.855 65.002 63.200 -0.089 0.000 1.105 457 S HN 0.714 nan 8.310 nan 0.000 0.472 458 A N 1.516 124.210 122.820 -0.210 0.000 1.902 458 A HA -0.039 4.280 4.320 -0.001 0.000 0.217 458 A C 1.684 179.108 177.584 -0.267 0.000 1.181 458 A CA 1.854 53.694 52.037 -0.329 0.000 0.623 458 A CB -1.160 17.820 19.000 -0.034 0.000 0.818 458 A HN 0.881 nan 8.150 nan 0.000 0.443 459 D N 0.272 120.597 120.400 -0.126 0.000 2.126 459 D HA -0.179 4.460 4.640 -0.001 0.000 0.190 459 D C 2.252 178.500 176.300 -0.088 0.000 1.001 459 D CA 1.949 55.904 54.000 -0.075 0.000 0.841 459 D CB -0.534 40.238 40.800 -0.046 0.000 0.949 459 D HN 0.426 nan 8.370 nan 0.000 0.446 460 A N 0.481 123.236 122.820 -0.110 0.000 1.902 460 A HA -0.106 4.214 4.320 -0.001 0.000 0.217 460 A C 2.482 180.012 177.584 -0.090 0.000 1.181 460 A CA 0.945 52.935 52.037 -0.078 0.000 0.623 460 A CB -0.807 18.145 19.000 -0.079 0.000 0.818 460 A HN 0.229 nan 8.150 nan 0.000 0.443 461 L N -0.575 120.494 121.223 -0.257 0.000 2.191 461 L HA -0.183 4.157 4.340 -0.001 0.000 0.212 461 L C 2.308 179.125 176.870 -0.088 0.000 1.103 461 L CA 1.514 56.176 54.840 -0.296 0.000 0.769 461 L CB -0.478 41.111 42.059 -0.784 0.000 0.908 461 L HN 0.428 nan 8.230 nan 0.000 0.438 462 D N -0.398 119.942 120.400 -0.100 0.000 2.084 462 D HA -0.153 4.487 4.640 -0.001 0.000 0.196 462 D C 2.053 178.402 176.300 0.081 0.000 0.985 462 D CA 1.649 55.707 54.000 0.097 0.000 0.826 462 D CB 0.094 40.955 40.800 0.101 0.000 0.978 462 D HN 0.097 nan 8.370 nan 0.000 0.456 463 T N -0.092 114.490 114.554 0.046 0.000 2.699 463 T HA -0.185 4.164 4.350 -0.001 0.000 0.268 463 T C 1.712 176.444 174.700 0.054 0.000 1.036 463 T CA 1.262 63.385 62.100 0.038 0.000 1.147 463 T CB -0.718 68.167 68.868 0.028 0.000 0.862 463 T HN 0.230 nan 8.240 nan 0.000 0.446 464 F N 1.484 121.416 119.950 -0.030 0.000 2.043 464 F HA -0.227 4.299 4.527 -0.001 0.000 0.297 464 F C 2.553 178.353 175.800 -0.000 0.000 1.121 464 F CA 1.111 59.100 58.000 -0.019 0.000 1.199 464 F CB -0.811 38.172 39.000 -0.029 0.000 0.968 464 F HN 0.158 nan 8.300 nan 0.000 0.478 465 C N 0.640 120.047 119.300 0.180 0.000 2.413 465 C HA -0.167 4.292 4.460 -0.001 0.000 0.277 465 C C 2.857 177.816 174.990 -0.050 0.000 1.265 465 C CA 1.243 60.303 59.018 0.070 0.000 1.752 465 C CB -1.401 26.442 27.740 0.171 0.000 1.998 465 C HN 0.480 nan 8.230 nan 0.000 0.489 466 R N 0.634 121.116 120.500 -0.029 0.000 2.091 466 R HA -0.121 4.219 4.340 -0.001 0.000 0.238 466 R C 2.074 178.315 176.300 -0.099 0.000 1.136 466 R CA 1.579 57.652 56.100 -0.045 0.000 0.959 466 R CB -0.295 29.994 30.300 -0.019 0.000 0.856 466 R HN 0.418 nan 8.270 nan 0.000 0.437 467 S N 0.072 115.675 115.700 -0.162 0.000 2.603 467 S HA -0.030 4.440 4.470 -0.001 0.000 0.229 467 S C 0.609 175.056 174.600 -0.256 0.000 0.972 467 S CA 0.415 58.492 58.200 -0.204 0.000 0.935 467 S CB 0.078 63.125 63.200 -0.255 0.000 0.769 467 S HN 0.430 nan 8.310 nan 0.000 0.536 468 S N 0.322 115.867 115.700 -0.259 0.000 2.767 468 S HA 0.408 4.878 4.470 -0.001 0.000 0.300 468 S C 0.692 175.211 174.600 -0.134 0.000 1.123 468 S CA -0.669 57.384 58.200 -0.245 0.000 0.992 468 S CB 0.791 63.838 63.200 -0.254 0.000 1.138 468 S HN -0.050 nan 8.310 nan 0.000 0.550 469 E N 0.220 120.360 120.200 -0.099 0.000 2.347 469 E HA 0.160 4.509 4.350 -0.001 0.000 0.196 469 E C 0.238 176.794 176.600 -0.072 0.000 1.008 469 E CA 0.185 56.544 56.400 -0.069 0.000 0.852 469 E CB -0.581 29.092 29.700 -0.045 0.000 0.783 469 E HN 0.556 nan 8.360 nan 0.000 0.505 470 L N 1.221 122.397 121.223 -0.079 0.000 2.490 470 L HA 0.024 4.364 4.340 -0.001 0.000 0.274 470 L C 0.755 177.529 176.870 -0.160 0.000 1.201 470 L CA -0.373 54.400 54.840 -0.111 0.000 0.869 470 L CB 0.220 42.221 42.059 -0.096 0.000 1.123 470 L HN -0.077 nan 8.230 nan 0.000 0.484 471 A N 2.423 125.094 122.820 -0.248 0.000 2.466 471 A HA 0.094 4.414 4.320 -0.001 0.000 0.238 471 A C 0.891 178.231 177.584 -0.408 0.000 1.074 471 A CA -0.222 51.619 52.037 -0.326 0.000 0.774 471 A CB 0.110 18.829 19.000 -0.468 0.000 1.015 471 A HN 0.920 nan 8.150 nan 0.000 0.498 472 D N 1.330 121.594 120.400 -0.228 0.000 2.421 472 D HA -0.381 4.259 4.640 -0.001 0.000 0.195 472 D C 1.200 177.414 176.300 -0.143 0.000 1.022 472 D CA 2.792 56.729 54.000 -0.104 0.000 0.871 472 D CB -0.946 39.884 40.800 0.050 0.000 1.026 472 D HN 0.803 nan 8.370 nan 0.000 0.462 473 F N 0.314 120.269 119.950 0.008 0.000 2.373 473 F HA 0.013 4.540 4.527 -0.001 0.000 0.300 473 F C 1.781 177.581 175.800 -0.001 0.000 1.080 473 F CA 0.767 58.768 58.000 0.003 0.000 1.417 473 F CB -0.605 38.398 39.000 0.004 0.000 1.070 473 F HN -0.124 nan 8.300 nan 0.000 0.546 474 K N 0.514 120.663 120.400 -0.418 0.000 2.228 474 K HA 0.031 4.351 4.320 -0.001 0.000 0.202 474 K C 0.750 177.297 176.600 -0.089 0.000 1.051 474 K CA 0.156 56.318 56.287 -0.209 0.000 0.960 474 K CB -0.140 32.176 32.500 -0.306 0.000 0.743 474 K HN 0.145 nan 8.250 nan 0.000 0.458 475 R N 2.066 122.513 120.500 -0.088 0.000 2.523 475 R HA -0.023 4.316 4.340 -0.001 0.000 0.281 475 R C -2.436 173.841 176.300 -0.038 0.000 0.969 475 R CA -1.191 54.891 56.100 -0.030 0.000 1.093 475 R CB -0.119 30.177 30.300 -0.008 0.000 0.917 475 R HN -0.055 nan 8.270 nan 0.000 0.408 476 P HA -0.095 nan 4.420 nan 0.000 0.263 476 P C -0.141 177.057 177.300 -0.171 0.000 1.175 476 P CA 0.316 63.291 63.100 -0.207 0.000 0.761 476 P CB 0.600 31.990 31.700 -0.516 0.000 0.794 477 K N 1.998 122.305 120.400 -0.156 0.000 2.400 477 K HA 0.136 4.455 4.320 -0.001 0.000 0.194 477 K C 0.770 177.280 176.600 -0.150 0.000 1.033 477 K CA 0.602 56.824 56.287 -0.108 0.000 1.021 477 K CB 0.268 32.722 32.500 -0.077 0.000 0.808 477 K HN 0.427 nan 8.250 nan 0.000 0.505 478 R N -0.861 119.469 120.500 -0.284 0.000 2.634 478 R HA 0.286 4.626 4.340 -0.001 0.000 0.263 478 R C -1.695 174.280 176.300 -0.543 0.000 1.060 478 R CA -0.589 55.322 56.100 -0.314 0.000 0.898 478 R CB 1.287 31.423 30.300 -0.273 0.000 1.253 478 R HN -0.121 nan 8.270 nan 0.000 0.461 479 Y N 1.586 121.713 120.300 -0.288 0.000 2.446 479 Y HA 0.532 5.082 4.550 -0.000 0.000 0.345 479 Y C -0.777 174.894 175.900 -0.381 0.000 0.984 479 Y CA -0.521 57.456 58.100 -0.205 0.000 1.058 479 Y CB 1.872 40.262 38.460 -0.116 0.000 1.220 479 Y HN 0.367 nan 8.280 nan 0.000 0.455 480 F N 3.862 123.896 119.950 0.139 0.000 2.499 480 F HA 0.434 4.961 4.527 -0.001 0.000 0.333 480 F C -0.799 175.055 175.800 0.090 0.000 1.138 480 F CA -0.981 57.070 58.000 0.085 0.000 0.945 480 F CB 1.129 40.151 39.000 0.037 0.000 1.181 480 F HN 0.163 nan 8.300 nan 0.000 0.435 481 I N 5.520 126.221 120.570 0.218 0.000 2.337 481 I HA 0.309 4.479 4.170 -0.001 0.000 0.291 481 I C -0.174 176.016 176.117 0.121 0.000 1.046 481 I CA -0.361 61.019 61.300 0.134 0.000 1.324 481 I CB 0.181 38.222 38.000 0.068 0.000 1.409 481 I HN 0.482 nan 8.210 nan 0.000 0.494 482 L N 5.614 126.894 121.223 0.095 0.000 2.341 482 L HA 0.408 4.747 4.340 -0.001 0.000 0.267 482 L C 0.525 177.420 176.870 0.041 0.000 1.009 482 L CA -0.709 54.170 54.840 0.065 0.000 0.819 482 L CB 2.113 44.205 42.059 0.054 0.000 1.323 482 L HN 0.512 nan 8.230 nan 0.000 0.425 483 D N -1.049 119.368 120.400 0.028 0.000 2.349 483 D HA 0.023 4.663 4.640 -0.001 0.000 0.214 483 D C 0.107 176.416 176.300 0.015 0.000 1.063 483 D CA -0.007 54.004 54.000 0.019 0.000 0.847 483 D CB 0.439 41.248 40.800 0.015 0.000 0.933 483 D HN 0.422 nan 8.370 nan 0.000 0.513 484 Q N -0.033 119.776 119.800 0.014 0.000 2.578 484 Q HA 0.297 4.637 4.340 -0.001 0.000 0.284 484 Q C -1.721 174.284 176.000 0.008 0.000 0.960 484 Q CA -0.774 55.035 55.803 0.011 0.000 0.809 484 Q CB 0.825 29.567 28.738 0.007 0.000 1.462 484 Q HN 0.142 nan 8.270 nan 0.000 0.392 485 L N 2.157 123.385 121.223 0.008 0.000 2.309 485 L HA 0.559 4.899 4.340 -0.001 0.000 0.282 485 L C -2.028 174.841 176.870 -0.001 0.000 1.036 485 L CA -1.971 52.871 54.840 0.003 0.000 0.806 485 L CB 1.513 43.578 42.059 0.010 0.000 1.220 485 L HN 0.459 nan 8.230 nan 0.000 0.429 486 P HA 0.216 nan 4.420 nan 0.000 0.276 486 P C -1.287 176.011 177.300 -0.004 0.000 1.243 486 P CA -0.252 62.842 63.100 -0.009 0.000 0.768 486 P CB 0.868 32.558 31.700 -0.017 0.000 0.856 487 K N 2.254 122.654 120.400 -0.001 0.000 2.395 487 K HA 0.328 4.647 4.320 -0.001 0.000 0.247 487 K C 0.391 176.991 176.600 -0.000 0.000 0.973 487 K CA -0.947 55.341 56.287 0.002 0.000 0.828 487 K CB 1.294 33.798 32.500 0.007 0.000 1.272 487 K HN 0.420 nan 8.250 nan 0.000 0.439 488 N N 0.239 118.940 118.700 0.001 0.000 2.317 488 N HA 0.042 4.781 4.740 -0.001 0.000 0.245 488 N C 0.827 176.335 175.510 -0.003 0.000 1.294 488 N CA 0.151 53.200 53.050 -0.002 0.000 0.924 488 N CB 0.157 38.643 38.487 -0.002 0.000 1.186 488 N HN 0.624 nan 8.380 nan 0.000 0.495 489 A N -0.024 122.791 122.820 -0.009 0.000 2.054 489 A HA -0.142 4.178 4.320 -0.001 0.000 0.223 489 A C 1.512 179.092 177.584 -0.007 0.000 1.169 489 A CA 1.282 53.312 52.037 -0.012 0.000 0.655 489 A CB -1.005 17.981 19.000 -0.024 0.000 0.812 489 A HN 0.638 nan 8.150 nan 0.000 0.462 490 L N -0.809 120.413 121.223 -0.002 0.000 3.001 490 L HA 0.270 4.609 4.340 -0.001 0.000 0.234 490 L C 1.286 178.168 176.870 0.021 0.000 1.321 490 L CA 0.172 55.019 54.840 0.011 0.000 1.138 490 L CB -1.521 40.547 42.059 0.016 0.000 1.503 490 L HN 0.625 nan 8.230 nan 0.000 0.487 491 N N -0.644 118.067 118.700 0.017 0.000 2.666 491 N HA -0.280 4.460 4.740 -0.001 0.000 0.248 491 N C 0.232 175.753 175.510 0.019 0.000 1.118 491 N CA 1.677 54.738 53.050 0.018 0.000 0.722 491 N CB -2.034 36.466 38.487 0.022 0.000 1.050 491 N HN 0.598 nan 8.380 nan 0.000 0.550 492 K N -0.136 120.275 120.400 0.018 0.000 2.378 492 K HA 0.839 5.159 4.320 -0.001 0.000 0.252 492 K C 0.216 176.826 176.600 0.016 0.000 0.931 492 K CA 0.130 56.429 56.287 0.020 0.000 0.794 492 K CB 1.253 33.768 32.500 0.026 0.000 1.181 492 K HN 1.111 nan 8.250 nan 0.000 0.425 493 V N 3.134 123.058 119.914 0.017 0.000 2.529 493 V HA 0.137 4.256 4.120 -0.001 0.000 0.292 493 V C 0.866 176.965 176.094 0.008 0.000 1.028 493 V CA -0.390 61.917 62.300 0.012 0.000 1.074 493 V CB 0.461 32.293 31.823 0.015 0.000 0.958 493 V HN 0.741 nan 8.190 nan 0.000 0.481 494 L N 6.221 127.445 121.223 0.001 0.000 2.416 494 L HA 0.205 4.544 4.340 -0.001 0.000 0.243 494 L C 1.862 178.728 176.870 -0.007 0.000 1.373 494 L CA 0.072 54.910 54.840 -0.003 0.000 1.227 494 L CB -0.825 41.230 42.059 -0.008 0.000 1.428 494 L HN 0.684 nan 8.230 nan 0.000 0.425 495 R N 1.149 121.649 120.500 -0.001 0.000 2.132 495 R HA -0.298 4.042 4.340 -0.001 0.000 0.233 495 R C 2.727 179.021 176.300 -0.011 0.000 1.125 495 R CA 2.701 58.799 56.100 -0.003 0.000 0.914 495 R CB -0.352 29.952 30.300 0.007 0.000 0.845 495 R HN 0.643 nan 8.270 nan 0.000 0.431 496 R N 1.220 121.716 120.500 -0.007 0.000 2.153 496 R HA -0.257 4.082 4.340 -0.001 0.000 0.252 496 R C 1.908 178.196 176.300 -0.020 0.000 1.158 496 R CA 2.316 58.409 56.100 -0.011 0.000 0.975 496 R CB -1.532 28.765 30.300 -0.006 0.000 0.871 496 R HN 0.582 nan 8.270 nan 0.000 0.450 497 Q N -0.780 119.007 119.800 -0.022 0.000 2.163 497 Q HA 0.018 4.357 4.340 -0.001 0.000 0.198 497 Q C 2.258 178.232 176.000 -0.044 0.000 0.954 497 Q CA 1.095 56.880 55.803 -0.029 0.000 0.851 497 Q CB -0.032 28.692 28.738 -0.023 0.000 0.928 497 Q HN 0.470 nan 8.270 nan 0.000 0.459 498 L N 0.908 122.104 121.223 -0.045 0.000 2.013 498 L HA -0.200 4.140 4.340 -0.001 0.000 0.212 498 L C 2.230 179.040 176.870 -0.100 0.000 1.073 498 L CA 1.672 56.472 54.840 -0.067 0.000 0.753 498 L CB -1.011 41.016 42.059 -0.053 0.000 0.890 498 L HN 0.081 nan 8.230 nan 0.000 0.432 499 V N -0.249 119.617 119.914 -0.080 0.000 2.250 499 V HA -0.439 3.681 4.120 -0.001 0.000 0.253 499 V C 3.080 179.115 176.094 -0.098 0.000 1.065 499 V CA 2.839 65.086 62.300 -0.088 0.000 1.039 499 V CB -1.922 29.870 31.823 -0.052 0.000 0.647 499 V HN 0.744 nan 8.190 nan 0.000 0.446 500 Q N -0.660 119.096 119.800 -0.073 0.000 2.061 500 Q HA -0.327 4.013 4.340 -0.001 0.000 0.204 500 Q C 2.172 178.118 176.000 -0.089 0.000 0.984 500 Q CA 2.302 58.066 55.803 -0.066 0.000 0.846 500 Q CB -0.893 27.818 28.738 -0.045 0.000 0.902 500 Q HN 0.759 nan 8.270 nan 0.000 0.421 501 Q N -0.039 119.699 119.800 -0.103 0.000 2.500 501 Q HA -0.030 4.309 4.340 -0.001 0.000 0.213 501 Q C 1.778 177.654 176.000 -0.207 0.000 0.974 501 Q CA 1.531 57.260 55.803 -0.122 0.000 0.918 501 Q CB -0.047 28.629 28.738 -0.103 0.000 0.980 501 Q HN 0.764 nan 8.270 nan 0.000 0.505 502 V N -5.355 114.387 119.914 -0.287 0.000 3.359 502 V HA 0.370 4.489 4.120 -0.001 0.000 0.245 502 V C 1.116 176.997 176.094 -0.356 0.000 1.247 502 V CA 0.403 62.380 62.300 -0.538 0.000 1.145 502 V CB -0.336 30.864 31.823 -1.038 0.000 0.906 502 V HN 0.165 nan 8.190 nan 0.000 0.464 503 S N 0.000 115.586 115.700 -0.190 0.000 2.498 503 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 503 S CA 0.000 58.153 58.200 -0.078 0.000 1.107 503 S CB 0.000 63.166 63.200 -0.056 0.000 0.593 503 S HN 0.000 nan 8.310 nan 0.000 0.517