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 2qvz_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 TSXXXGLPKA AIIPQRAAES RVLFMSTQVG LRHGRHNVVL DATA SEQUENCE GLMPLYHVVG FFAVLVAALA LDGTYVVVEE FRPVDALQLV QQEQVTSLFA DATA SEQUENCE TPTHLDALAA AAAHAGSSLK LDSLRHVTFA GATMPDAVLE TVHQHLPGEK DATA SEQUENCE VNAYGTTEAM 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 0.000 176.329 176.300 0.048 0.000 1.140 1 M CA 0.000 55.323 55.300 0.038 0.000 0.988 1 M CB 0.000 32.622 32.600 0.037 0.000 1.302 2 Q N 2.374 122.208 119.800 0.057 0.000 2.337 2 Q HA 0.461 4.801 4.340 -0.000 0.000 0.264 2 Q C -1.029 175.031 176.000 0.101 0.000 1.007 2 Q CA -0.374 55.471 55.803 0.070 0.000 0.727 2 Q CB 2.147 30.921 28.738 0.060 0.000 1.256 2 Q HN 0.891 nan 8.270 nan 0.000 0.467 3 T N -1.739 112.896 114.554 0.136 0.000 2.754 3 T HA 0.213 4.563 4.350 -0.000 0.000 0.286 3 T C 1.456 176.314 174.700 0.265 0.000 0.997 3 T CA -0.669 61.562 62.100 0.218 0.000 0.982 3 T CB 0.892 69.917 68.868 0.262 0.000 1.027 3 T HN 0.281 nan 8.240 nan 0.000 0.529 4 V N 1.549 121.686 119.914 0.371 0.000 2.233 4 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 4 V C 2.861 179.164 176.094 0.348 0.000 1.050 4 V CA 2.512 64.996 62.300 0.307 0.000 1.010 4 V CB -1.427 30.536 31.823 0.233 0.000 0.637 4 V HN 1.006 nan 8.190 nan 0.000 0.444 5 N N -0.093 118.952 118.700 0.575 0.000 2.060 5 N HA -0.236 4.504 4.740 -0.000 0.000 0.195 5 N C 1.876 177.492 175.510 0.177 0.000 1.028 5 N CA 1.849 55.086 53.050 0.312 0.000 0.861 5 N CB -0.167 38.378 38.487 0.097 0.000 1.029 5 N HN 0.402 nan 8.380 nan 0.000 0.428 6 E N 0.028 120.323 120.200 0.159 0.000 2.077 6 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 6 E C 2.074 178.733 176.600 0.097 0.000 0.989 6 E CA 0.917 57.379 56.400 0.104 0.000 0.800 6 E CB -0.265 29.486 29.700 0.086 0.000 0.746 6 E HN 0.567 nan 8.360 nan 0.000 0.452 7 M N 0.090 119.757 119.600 0.112 0.000 2.108 7 M HA -0.185 4.295 4.480 -0.000 0.000 0.261 7 M C 2.304 178.658 176.300 0.089 0.000 1.066 7 M CA 1.360 56.713 55.300 0.088 0.000 1.107 7 M CB -0.277 32.372 32.600 0.081 0.000 1.356 7 M HN 0.079 nan 8.290 nan 0.000 0.406 8 L N -1.412 119.876 121.223 0.108 0.000 2.209 8 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 8 L C 2.605 179.547 176.870 0.121 0.000 1.094 8 L CA 0.707 55.618 54.840 0.119 0.000 0.790 8 L CB -0.717 41.410 42.059 0.114 0.000 0.932 8 L HN 0.306 nan 8.230 nan 0.000 0.447 9 R N 0.930 121.490 120.500 0.100 0.000 2.073 9 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 9 R C 2.502 178.840 176.300 0.063 0.000 1.134 9 R CA 1.409 57.556 56.100 0.078 0.000 0.952 9 R CB -0.022 30.316 30.300 0.062 0.000 0.850 9 R HN 0.272 nan 8.270 nan 0.000 0.433 10 R N -0.069 120.464 120.500 0.055 0.000 2.081 10 R HA -0.078 4.262 4.340 -0.000 0.000 0.235 10 R C 2.365 178.678 176.300 0.022 0.000 1.131 10 R CA 1.340 57.459 56.100 0.033 0.000 0.960 10 R CB -0.386 29.930 30.300 0.026 0.000 0.856 10 R HN 0.250 nan 8.270 nan 0.000 0.436 11 A N 1.587 124.426 122.820 0.032 0.000 1.883 11 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 11 A C 2.437 179.972 177.584 -0.081 0.000 1.186 11 A CA 1.809 53.831 52.037 -0.024 0.000 0.624 11 A CB -0.847 18.166 19.000 0.022 0.000 0.822 11 A HN 0.400 nan 8.150 nan 0.000 0.444 12 A N -0.484 122.367 122.820 0.050 0.000 1.986 12 A HA -0.160 4.160 4.320 -0.000 0.000 0.220 12 A C 2.417 180.022 177.584 0.036 0.000 1.171 12 A CA 2.709 54.799 52.037 0.087 0.000 0.640 12 A CB -1.341 17.738 19.000 0.132 0.000 0.811 12 A HN 0.877 nan 8.150 nan 0.000 0.451 13 T N -2.903 111.663 114.554 0.021 0.000 2.985 13 T HA -0.021 4.329 4.350 -0.000 0.000 0.266 13 T C 1.881 176.581 174.700 0.000 0.000 1.076 13 T CA 1.016 63.125 62.100 0.014 0.000 1.135 13 T CB -0.261 68.615 68.868 0.014 0.000 0.890 13 T HN 0.542 nan 8.240 nan 0.000 0.480 14 R N 1.200 121.690 120.500 -0.017 0.000 2.119 14 R HA 0.388 4.728 4.340 -0.000 0.000 0.222 14 R C 1.284 177.564 176.300 -0.032 0.000 1.088 14 R CA 0.925 57.014 56.100 -0.017 0.000 0.984 14 R CB 0.104 30.405 30.300 0.001 0.000 0.884 14 R HN 0.452 nan 8.270 nan 0.000 0.447 15 A N 0.912 123.684 122.820 -0.080 0.000 3.234 15 A HA 0.269 4.589 4.320 -0.000 0.000 0.247 15 A C -2.069 175.526 177.584 0.018 0.000 0.938 15 A CA -0.959 51.033 52.037 -0.076 0.000 1.039 15 A CB 0.564 19.436 19.000 -0.215 0.000 1.197 15 A HN -0.054 nan 8.150 nan 0.000 0.498 16 P HA -0.137 nan 4.420 nan 0.000 0.218 16 P C 0.071 177.448 177.300 0.130 0.000 1.148 16 P CA 1.371 64.531 63.100 0.100 0.000 0.822 16 P CB 0.278 32.016 31.700 0.064 0.000 0.784 17 D N -2.610 117.859 120.400 0.116 0.000 2.395 17 D HA 0.033 4.673 4.640 -0.000 0.000 0.213 17 D C 0.504 176.881 176.300 0.128 0.000 1.110 17 D CA 0.001 54.062 54.000 0.101 0.000 0.835 17 D CB -0.537 40.304 40.800 0.069 0.000 0.965 17 D HN 0.311 nan 8.370 nan 0.000 0.505 18 H N 0.423 119.549 119.070 0.093 0.000 2.562 18 H HA 0.166 4.722 4.556 -0.000 0.000 0.352 18 H C -0.228 175.195 175.328 0.158 0.000 1.125 18 H CA -0.524 55.588 56.048 0.108 0.000 1.379 18 H CB 0.937 30.751 29.762 0.086 0.000 1.464 18 H HN -0.088 nan 8.280 nan 0.000 0.563 19 C N 5.007 123.998 119.300 -0.515 0.000 2.638 19 C HA 0.386 4.846 4.460 -0.000 0.000 0.410 19 C C 1.522 176.441 174.990 -0.117 0.000 1.404 19 C CA 0.330 59.185 59.018 -0.271 0.000 1.651 19 C CB -2.069 25.502 27.740 -0.282 0.000 2.495 19 C HN 0.909 nan 8.230 nan 0.000 0.606 20 A N 5.357 128.102 122.820 -0.125 0.000 1.887 20 A HA 0.367 4.687 4.320 -0.000 0.000 0.210 20 A C 0.313 177.836 177.584 -0.102 0.000 1.221 20 A CA 0.679 52.546 52.037 -0.283 0.000 0.635 20 A CB -0.191 18.451 19.000 -0.596 0.000 0.881 20 A HN 0.647 nan 8.150 nan 0.000 0.456 21 L N -0.059 121.125 121.223 -0.065 0.000 2.325 21 L HA 0.707 5.047 4.340 -0.000 0.000 0.281 21 L C -0.174 176.692 176.870 -0.006 0.000 1.004 21 L CA -0.488 54.361 54.840 0.016 0.000 0.823 21 L CB 1.198 43.272 42.059 0.026 0.000 1.236 21 L HN 0.289 nan 8.230 nan 0.000 0.415 22 A N 4.032 126.847 122.820 -0.009 0.000 2.318 22 A HA 0.777 5.097 4.320 -0.000 0.000 0.317 22 A C -0.978 176.584 177.584 -0.036 0.000 1.159 22 A CA -0.487 51.529 52.037 -0.034 0.000 0.799 22 A CB 1.236 20.203 19.000 -0.054 0.000 1.194 22 A HN 0.375 nan 8.150 nan 0.000 0.479 23 V N 4.559 124.460 119.914 -0.023 0.000 2.266 23 V HA 0.236 4.356 4.120 -0.000 0.000 0.266 23 V C -1.996 174.084 176.094 -0.024 0.000 1.036 23 V CA -1.059 61.229 62.300 -0.020 0.000 0.828 23 V CB 0.876 32.699 31.823 0.001 0.000 1.081 23 V HN 0.726 nan 8.190 nan 0.000 0.449 24 P HA -0.173 nan 4.420 nan 0.000 0.218 24 P C 1.710 178.995 177.300 -0.025 0.000 1.148 24 P CA 1.828 64.909 63.100 -0.032 0.000 0.822 24 P CB 0.396 32.072 31.700 -0.038 0.000 0.784 25 A N 0.392 123.198 122.820 -0.024 0.000 1.858 25 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 25 A C 2.103 179.679 177.584 -0.013 0.000 1.190 25 A CA 1.361 53.387 52.037 -0.019 0.000 0.617 25 A CB -0.962 18.028 19.000 -0.016 0.000 0.827 25 A HN 0.095 nan 8.150 nan 0.000 0.443 26 R N -0.876 119.619 120.500 -0.009 0.000 2.313 26 R HA 0.149 4.489 4.340 -0.000 0.000 0.199 26 R C 1.114 177.410 176.300 -0.008 0.000 0.958 26 R CA 0.547 56.644 56.100 -0.005 0.000 1.047 26 R CB -0.330 29.971 30.300 0.002 0.000 0.955 26 R HN 0.727 nan 8.270 nan 0.000 0.481 27 G N 1.863 110.656 108.800 -0.012 0.000 2.225 27 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.267 27 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.267 27 G C -0.264 174.628 174.900 -0.013 0.000 1.024 27 G CA 0.079 45.171 45.100 -0.014 0.000 0.784 27 G HN 0.238 nan 8.290 nan 0.000 0.507 28 L N 1.222 122.438 121.223 -0.012 0.000 2.262 28 L HA 0.670 5.010 4.340 -0.000 0.000 0.288 28 L C 0.553 177.413 176.870 -0.016 0.000 1.035 28 L CA -1.006 53.828 54.840 -0.010 0.000 0.820 28 L CB 0.545 42.603 42.059 -0.002 0.000 1.204 28 L HN 0.295 nan 8.230 nan 0.000 0.424 29 R N 5.936 126.424 120.500 -0.020 0.000 2.637 29 R HA 0.734 5.074 4.340 -0.000 0.000 0.291 29 R C -1.426 174.857 176.300 -0.027 0.000 0.963 29 R CA -0.934 55.149 56.100 -0.029 0.000 0.901 29 R CB 1.855 32.131 30.300 -0.040 0.000 1.160 29 R HN 0.505 nan 8.270 nan 0.000 0.457 30 L N 1.892 123.095 121.223 -0.034 0.000 2.438 30 L HA 0.332 4.672 4.340 -0.000 0.000 0.270 30 L C 0.542 177.384 176.870 -0.047 0.000 0.972 30 L CA -0.835 53.986 54.840 -0.031 0.000 0.831 30 L CB 2.521 44.565 42.059 -0.026 0.000 1.273 30 L HN 0.826 nan 8.230 nan 0.000 0.405 31 T N -2.990 111.550 114.554 -0.023 0.000 2.726 31 T HA 0.107 4.457 4.350 -0.000 0.000 0.294 31 T C 1.269 175.974 174.700 0.008 0.000 1.013 31 T CA -0.219 61.886 62.100 0.009 0.000 0.996 31 T CB 0.739 69.637 68.868 0.050 0.000 1.016 31 T HN 0.490 nan 8.240 nan 0.000 0.529 32 H N 0.647 119.743 119.070 0.042 0.000 2.290 32 H HA -0.103 4.453 4.556 -0.000 0.000 0.298 32 H C 2.615 177.966 175.328 0.039 0.000 1.087 32 H CA 2.051 58.129 56.048 0.051 0.000 1.291 32 H CB -0.673 29.133 29.762 0.073 0.000 1.369 32 H HN 0.811 nan 8.280 nan 0.000 0.492 33 A N 1.133 124.049 122.820 0.160 0.000 1.940 33 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 33 A C 2.271 179.888 177.584 0.055 0.000 1.176 33 A CA 1.830 53.922 52.037 0.092 0.000 0.631 33 A CB -0.377 18.668 19.000 0.074 0.000 0.814 33 A HN 0.513 nan 8.150 nan 0.000 0.446 34 E N -0.931 119.294 120.200 0.041 0.000 2.107 34 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 34 E C 1.914 178.521 176.600 0.011 0.000 0.982 34 E CA 0.941 57.353 56.400 0.019 0.000 0.809 34 E CB -0.195 29.510 29.700 0.009 0.000 0.756 34 E HN 0.520 nan 8.360 nan 0.000 0.459 35 L N 1.344 122.568 121.223 0.000 0.000 2.056 35 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 35 L C 2.081 178.958 176.870 0.012 0.000 1.078 35 L CA 1.627 56.460 54.840 -0.011 0.000 0.749 35 L CB -0.196 41.826 42.059 -0.061 0.000 0.901 35 L HN -0.083 nan 8.230 nan 0.000 0.433 36 R N 0.183 120.702 120.500 0.031 0.000 2.096 36 R HA -0.156 4.184 4.340 -0.000 0.000 0.240 36 R C 2.216 178.533 176.300 0.029 0.000 1.139 36 R CA 1.604 57.729 56.100 0.042 0.000 0.952 36 R CB -1.372 28.962 30.300 0.058 0.000 0.854 36 R HN 0.559 nan 8.270 nan 0.000 0.436 37 A N 1.155 123.990 122.820 0.025 0.000 1.908 37 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 37 A C 2.305 179.897 177.584 0.012 0.000 1.181 37 A CA 1.701 53.749 52.037 0.017 0.000 0.627 37 A CB -0.387 18.622 19.000 0.015 0.000 0.818 37 A HN 0.269 nan 8.150 nan 0.000 0.445 38 R N -0.879 119.628 120.500 0.012 0.000 2.075 38 R HA -0.031 4.309 4.340 -0.000 0.000 0.232 38 R C 1.995 178.304 176.300 0.015 0.000 1.126 38 R CA 1.294 57.401 56.100 0.011 0.000 0.963 38 R CB -0.575 29.731 30.300 0.011 0.000 0.858 38 R HN 0.358 nan 8.270 nan 0.000 0.435 39 V N 1.473 121.400 119.914 0.022 0.000 2.332 39 V HA -0.235 3.885 4.120 -0.000 0.000 0.248 39 V C 2.149 178.254 176.094 0.019 0.000 1.055 39 V CA 1.755 64.073 62.300 0.030 0.000 1.038 39 V CB -0.403 31.448 31.823 0.046 0.000 0.651 39 V HN 0.299 nan 8.190 nan 0.000 0.450 40 E N 0.336 120.543 120.200 0.013 0.000 2.077 40 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 40 E C 2.332 178.928 176.600 -0.007 0.000 0.989 40 E CA 1.621 58.022 56.400 0.001 0.000 0.800 40 E CB -0.434 29.267 29.700 0.002 0.000 0.746 40 E HN 0.600 nan 8.360 nan 0.000 0.452 41 A N 0.908 123.725 122.820 -0.006 0.000 1.897 41 A HA -0.071 4.249 4.320 -0.000 0.000 0.215 41 A C 2.597 180.160 177.584 -0.035 0.000 1.181 41 A CA 1.055 53.082 52.037 -0.017 0.000 0.620 41 A CB -0.499 18.495 19.000 -0.010 0.000 0.821 41 A HN 0.119 nan 8.150 nan 0.000 0.443 42 V N 0.113 120.015 119.914 -0.020 0.000 2.427 42 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 42 V C 3.026 179.106 176.094 -0.024 0.000 1.051 42 V CA 1.726 64.010 62.300 -0.026 0.000 1.048 42 V CB -1.334 30.491 31.823 0.003 0.000 0.666 42 V HN 0.597 nan 8.190 nan 0.000 0.456 43 A N 0.486 123.301 122.820 -0.007 0.000 1.859 43 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 43 A C 2.476 180.067 177.584 0.011 0.000 1.198 43 A CA 2.555 54.593 52.037 0.001 0.000 0.629 43 A CB -1.054 17.942 19.000 -0.007 0.000 0.830 43 A HN 0.588 nan 8.150 nan 0.000 0.446 44 A N -0.878 121.937 122.820 -0.009 0.000 1.908 44 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 44 A C 2.309 179.907 177.584 0.024 0.000 1.181 44 A CA 1.866 53.906 52.037 0.005 0.000 0.627 44 A CB -0.525 18.467 19.000 -0.012 0.000 0.818 44 A HN 0.456 nan 8.150 nan 0.000 0.445 45 R N -0.141 120.310 120.500 -0.082 0.000 2.090 45 R HA 0.016 4.356 4.340 -0.000 0.000 0.228 45 R C 1.936 178.165 176.300 -0.118 0.000 1.110 45 R CA 1.305 57.256 56.100 -0.248 0.000 0.973 45 R CB -0.581 29.433 30.300 -0.476 0.000 0.869 45 R HN 0.568 nan 8.270 nan 0.000 0.440 46 L N -0.225 120.970 121.223 -0.046 0.000 2.141 46 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 46 L C 2.803 179.696 176.870 0.037 0.000 1.094 46 L CA 1.274 56.110 54.840 -0.006 0.000 0.763 46 L CB -0.621 41.437 42.059 -0.001 0.000 0.908 46 L HN 0.349 nan 8.230 nan 0.000 0.437 47 H N 0.220 119.278 119.070 -0.020 0.000 2.363 47 H HA -0.082 4.474 4.556 -0.000 0.000 0.301 47 H C 2.072 177.414 175.328 0.024 0.000 1.074 47 H CA 1.355 57.401 56.048 -0.003 0.000 1.354 47 H CB 0.365 30.124 29.762 -0.006 0.000 1.397 47 H HN 0.304 nan 8.280 nan 0.000 0.516 48 A N 0.530 123.450 122.820 0.166 0.000 2.186 48 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 48 A C 1.159 178.804 177.584 0.100 0.000 1.159 48 A CA 1.637 53.773 52.037 0.165 0.000 0.680 48 A CB -0.151 19.018 19.000 0.282 0.000 0.787 48 A HN 0.417 nan 8.150 nan 0.000 0.467 49 D N -1.396 119.038 120.400 0.056 0.000 2.368 49 D HA 0.343 4.983 4.640 -0.000 0.000 0.218 49 D C 1.066 177.340 176.300 -0.044 0.000 1.112 49 D CA 0.858 54.876 54.000 0.031 0.000 0.834 49 D CB 0.098 40.934 40.800 0.060 0.000 0.953 49 D HN 0.511 nan 8.370 nan 0.000 0.505 50 G N 1.154 109.880 108.800 -0.122 0.000 2.142 50 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.225 50 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.225 50 G C -0.214 174.605 174.900 -0.134 0.000 1.015 50 G CA -0.353 44.657 45.100 -0.150 0.000 0.716 50 G HN 0.286 nan 8.290 nan 0.000 0.508 51 L N 1.125 122.266 121.223 -0.138 0.000 2.264 51 L HA 0.773 5.113 4.340 -0.000 0.000 0.289 51 L C 0.508 177.333 176.870 -0.075 0.000 1.044 51 L CA -0.817 53.974 54.840 -0.082 0.000 0.807 51 L CB 0.706 42.740 42.059 -0.042 0.000 1.192 51 L HN 0.167 nan 8.230 nan 0.000 0.425 52 R N 4.582 125.053 120.500 -0.049 0.000 2.720 52 R HA 0.557 4.897 4.340 -0.000 0.000 0.272 52 R C -2.452 173.848 176.300 -0.001 0.000 0.991 52 R CA -2.379 53.713 56.100 -0.013 0.000 1.010 52 R CB 0.677 30.962 30.300 -0.024 0.000 1.141 52 R HN 0.365 nan 8.270 nan 0.000 0.494 53 P HA -0.053 nan 4.420 nan 0.000 0.267 53 P C -0.052 177.234 177.300 -0.023 0.000 1.201 53 P CA 0.473 63.565 63.100 -0.013 0.000 0.775 53 P CB 0.467 32.160 31.700 -0.010 0.000 0.854 54 Q N -1.959 117.820 119.800 -0.036 0.000 2.305 54 Q HA -0.253 4.087 4.340 -0.000 0.000 0.203 54 Q C -0.316 175.664 176.000 -0.034 0.000 0.663 54 Q CA 1.418 57.199 55.803 -0.036 0.000 1.389 54 Q CB -1.615 27.106 28.738 -0.027 0.000 1.566 54 Q HN 0.699 nan 8.270 nan 0.000 0.755 55 Q N 0.899 120.679 119.800 -0.033 0.000 2.286 55 Q HA 0.319 4.659 4.340 -0.000 0.000 0.257 55 Q C -0.126 175.852 176.000 -0.038 0.000 0.941 55 Q CA -0.058 55.726 55.803 -0.032 0.000 0.912 55 Q CB 0.669 29.388 28.738 -0.032 0.000 1.192 55 Q HN 0.087 nan 8.270 nan 0.000 0.410 56 R N 1.376 121.857 120.500 -0.032 0.000 2.298 56 R HA 0.304 4.644 4.340 -0.000 0.000 0.310 56 R C -0.792 175.488 176.300 -0.034 0.000 1.068 56 R CA -0.272 55.808 56.100 -0.033 0.000 0.957 56 R CB 0.705 30.996 30.300 -0.016 0.000 1.003 56 R HN 0.295 nan 8.270 nan 0.000 0.454 57 V N 2.794 122.682 119.914 -0.042 0.000 2.409 57 V HA 0.416 4.536 4.120 -0.000 0.000 0.291 57 V C 0.233 176.299 176.094 -0.047 0.000 1.020 57 V CA -1.005 61.268 62.300 -0.045 0.000 0.848 57 V CB 1.629 33.424 31.823 -0.046 0.000 0.990 57 V HN 0.921 nan 8.190 nan 0.000 0.430 58 A N 4.767 127.558 122.820 -0.048 0.000 2.425 58 A HA 0.695 5.015 4.320 -0.000 0.000 0.249 58 A C -0.359 177.185 177.584 -0.067 0.000 1.084 58 A CA -0.202 51.801 52.037 -0.056 0.000 0.781 58 A CB 0.607 19.567 19.000 -0.068 0.000 1.019 58 A HN 0.797 nan 8.150 nan 0.000 0.490 59 V N 2.735 122.605 119.914 -0.074 0.000 2.525 59 V HA 0.460 4.580 4.120 -0.000 0.000 0.299 59 V C -0.724 175.335 176.094 -0.058 0.000 1.034 59 V CA -0.413 61.851 62.300 -0.060 0.000 0.863 59 V CB 1.614 33.402 31.823 -0.058 0.000 0.999 59 V HN 0.636 nan 8.190 nan 0.000 0.423 60 V N 3.782 123.671 119.914 -0.042 0.000 2.439 60 V HA 0.909 5.029 4.120 -0.000 0.000 0.277 60 V C 0.003 176.098 176.094 0.001 0.000 1.008 60 V CA -0.121 62.154 62.300 -0.043 0.000 0.846 60 V CB 1.172 32.952 31.823 -0.071 0.000 1.031 60 V HN 1.099 nan 8.190 nan 0.000 0.441 61 A N 6.044 128.885 122.820 0.035 0.000 2.594 61 A HA 0.950 5.270 4.320 -0.000 0.000 0.296 61 A C -3.131 174.518 177.584 0.108 0.000 1.061 61 A CA -1.077 50.999 52.037 0.064 0.000 0.689 61 A CB 1.804 20.843 19.000 0.064 0.000 1.280 61 A HN 0.481 nan 8.150 nan 0.000 0.406 62 P HA 0.179 nan 4.420 nan 0.000 0.273 62 P C -0.544 176.834 177.300 0.130 0.000 1.250 62 P CA -0.337 62.844 63.100 0.135 0.000 0.793 62 P CB 0.317 32.081 31.700 0.106 0.000 1.011 63 N N -0.119 118.663 118.700 0.136 0.000 2.454 63 N HA 0.263 5.003 4.740 -0.000 0.000 0.260 63 N C 0.049 175.630 175.510 0.117 0.000 1.218 63 N CA 0.491 53.620 53.050 0.133 0.000 0.904 63 N CB -0.140 38.429 38.487 0.137 0.000 1.065 63 N HN 0.531 nan 8.380 nan 0.000 0.462 64 S N -0.478 115.295 115.700 0.123 0.000 2.627 64 S HA 0.592 5.062 4.470 -0.000 0.000 0.268 64 S C 0.468 175.134 174.600 0.109 0.000 1.130 64 S CA -0.378 57.885 58.200 0.104 0.000 0.819 64 S CB 0.566 63.815 63.200 0.081 0.000 1.100 64 S HN 0.382 nan 8.310 nan 0.000 0.465 65 A N 0.933 123.808 122.820 0.092 0.000 1.933 65 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 65 A C 1.598 179.220 177.584 0.063 0.000 1.175 65 A CA 2.069 54.154 52.037 0.081 0.000 0.628 65 A CB -1.135 17.900 19.000 0.059 0.000 0.814 65 A HN 0.836 nan 8.150 nan 0.000 0.444 66 D N -0.597 119.840 120.400 0.062 0.000 2.117 66 D HA -0.103 4.537 4.640 -0.000 0.000 0.198 66 D C 1.959 178.295 176.300 0.060 0.000 0.982 66 D CA 1.375 55.410 54.000 0.059 0.000 0.828 66 D CB -0.556 40.282 40.800 0.063 0.000 0.967 66 D HN 0.216 nan 8.370 nan 0.000 0.464 67 V N 0.574 120.528 119.914 0.066 0.000 2.548 67 V HA -0.162 3.958 4.120 -0.000 0.000 0.249 67 V C 2.363 178.493 176.094 0.061 0.000 1.055 67 V CA 0.919 63.257 62.300 0.063 0.000 1.065 67 V CB -0.012 31.854 31.823 0.071 0.000 0.681 67 V HN -0.019 nan 8.190 nan 0.000 0.462 68 V N 0.095 120.044 119.914 0.059 0.000 2.295 68 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 68 V C 2.226 178.350 176.094 0.051 0.000 1.049 68 V CA 2.579 64.903 62.300 0.041 0.000 1.024 68 V CB -0.453 31.365 31.823 -0.009 0.000 0.648 68 V HN 0.496 nan 8.190 nan 0.000 0.447 69 I N 0.420 121.016 120.570 0.045 0.000 2.127 69 I HA -0.294 3.876 4.170 -0.000 0.000 0.241 69 I C 2.664 178.814 176.117 0.056 0.000 1.075 69 I CA 1.787 63.114 61.300 0.045 0.000 1.334 69 I CB -0.637 37.386 38.000 0.037 0.000 1.040 69 I HN 0.287 nan 8.210 nan 0.000 0.405 70 A N 0.724 123.576 122.820 0.053 0.000 1.908 70 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 70 A C 2.303 179.922 177.584 0.057 0.000 1.181 70 A CA 1.687 53.752 52.037 0.047 0.000 0.627 70 A CB -0.911 18.112 19.000 0.038 0.000 0.818 70 A HN 0.401 nan 8.150 nan 0.000 0.445 71 I N -0.246 120.365 120.570 0.068 0.000 2.179 71 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 71 I C 2.345 178.572 176.117 0.183 0.000 1.088 71 I CA 1.208 62.561 61.300 0.089 0.000 1.357 71 I CB -0.319 37.719 38.000 0.062 0.000 1.051 71 I HN 0.288 nan 8.210 nan 0.000 0.409 72 L N 0.310 121.651 121.223 0.197 0.000 2.131 72 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 72 L C 2.841 179.822 176.870 0.186 0.000 1.092 72 L CA 1.131 56.117 54.840 0.244 0.000 0.759 72 L CB -0.862 41.299 42.059 0.171 0.000 0.903 72 L HN 0.264 nan 8.230 nan 0.000 0.435 73 A N 0.675 123.563 122.820 0.112 0.000 1.858 73 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 73 A C 2.259 179.877 177.584 0.057 0.000 1.190 73 A CA 1.515 53.593 52.037 0.067 0.000 0.617 73 A CB -0.802 18.223 19.000 0.042 0.000 0.827 73 A HN 0.335 nan 8.150 nan 0.000 0.443 74 L N -1.398 119.862 121.223 0.062 0.000 2.043 74 L HA -0.261 4.080 4.340 -0.000 0.000 0.212 74 L C 2.688 179.581 176.870 0.038 0.000 1.075 74 L CA 1.949 56.811 54.840 0.036 0.000 0.752 74 L CB -0.659 41.413 42.059 0.021 0.000 0.891 74 L HN 0.702 nan 8.230 nan 0.000 0.432 75 H N 0.100 119.168 119.070 -0.003 0.000 2.363 75 H HA -0.168 4.388 4.556 -0.000 0.000 0.301 75 H C 2.290 177.615 175.328 -0.006 0.000 1.074 75 H CA 1.633 57.652 56.048 -0.048 0.000 1.354 75 H CB 0.064 29.878 29.762 0.086 0.000 1.397 75 H HN 0.029 nan 8.280 nan 0.000 0.516 76 R N 0.652 121.092 120.500 -0.099 0.000 2.105 76 R HA -0.087 4.253 4.340 -0.000 0.000 0.239 76 R C 2.417 178.643 176.300 -0.124 0.000 1.135 76 R CA 1.723 57.741 56.100 -0.136 0.000 0.967 76 R CB -1.131 29.158 30.300 -0.019 0.000 0.861 76 R HN 0.550 nan 8.270 nan 0.000 0.442 77 L N -1.616 119.565 121.223 -0.069 0.000 2.046 77 L HA 0.043 4.383 4.340 -0.000 0.000 0.208 77 L C 1.288 178.122 176.870 -0.061 0.000 1.077 77 L CA 1.960 56.776 54.840 -0.040 0.000 0.747 77 L CB -0.173 41.892 42.059 0.012 0.000 0.896 77 L HN 0.591 nan 8.230 nan 0.000 0.432 78 G N -1.960 106.779 108.800 -0.101 0.000 2.367 78 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.181 78 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.181 78 G C 0.381 175.231 174.900 -0.083 0.000 1.000 78 G CA -0.042 44.992 45.100 -0.109 0.000 0.693 78 G HN 0.710 nan 8.290 nan 0.000 0.480 79 A N 0.046 122.830 122.820 -0.061 0.000 2.448 79 A HA 0.600 4.920 4.320 -0.000 0.000 0.239 79 A C 0.493 178.017 177.584 -0.100 0.000 1.080 79 A CA 0.620 52.621 52.037 -0.060 0.000 0.779 79 A CB 0.769 19.744 19.000 -0.040 0.000 1.026 79 A HN 1.072 nan 8.150 nan 0.000 0.499 80 V N 4.041 123.891 119.914 -0.106 0.000 2.294 80 V HA 0.262 4.382 4.120 -0.000 0.000 0.272 80 V C -2.287 173.727 176.094 -0.133 0.000 1.027 80 V CA -1.364 60.839 62.300 -0.161 0.000 0.823 80 V CB 0.993 32.746 31.823 -0.117 0.000 1.030 80 V HN 0.715 nan 8.190 nan 0.000 0.457 81 P HA 0.240 nan 4.420 nan 0.000 0.271 81 P C -0.562 176.656 177.300 -0.136 0.000 1.226 81 P CA 0.148 63.183 63.100 -0.109 0.000 0.765 81 P CB 0.732 32.395 31.700 -0.063 0.000 0.835 82 A N 5.127 127.887 122.820 -0.099 0.000 2.277 82 A HA 0.456 4.776 4.320 -0.000 0.000 0.318 82 A C -0.333 177.211 177.584 -0.066 0.000 1.339 82 A CA -0.673 51.338 52.037 -0.044 0.000 0.875 82 A CB -0.126 18.931 19.000 0.094 0.000 1.158 82 A HN 0.469 nan 8.150 nan 0.000 0.514 83 L N 3.273 124.369 121.223 -0.211 0.000 2.290 83 L HA 0.483 4.823 4.340 -0.000 0.000 0.284 83 L C -0.559 176.294 176.870 -0.029 0.000 1.078 83 L CA -0.142 54.589 54.840 -0.182 0.000 0.815 83 L CB 0.828 42.659 42.059 -0.380 0.000 1.162 83 L HN 0.567 nan 8.230 nan 0.000 0.435 84 L N 3.134 124.296 121.223 -0.101 0.000 2.386 84 L HA 0.383 4.723 4.340 -0.000 0.000 0.271 84 L C 0.049 176.709 176.870 -0.350 0.000 0.993 84 L CA -0.736 53.944 54.840 -0.267 0.000 0.819 84 L CB 2.088 43.921 42.059 -0.376 0.000 1.294 84 L HN 0.510 nan 8.230 nan 0.000 0.414 85 N N 4.529 122.855 118.700 -0.622 0.000 2.411 85 N HA 0.036 4.776 4.740 -0.000 0.000 0.265 85 N C -1.654 173.592 175.510 -0.440 0.000 1.266 85 N CA -1.257 51.201 53.050 -0.986 0.000 0.889 85 N CB 0.982 38.907 38.487 -0.936 0.000 1.069 85 N HN 0.320 nan 8.380 nan 0.000 0.476 86 P HA -0.053 nan 4.420 nan 0.000 0.226 86 P C 0.775 178.019 177.300 -0.093 0.000 1.153 86 P CA 0.638 63.667 63.100 -0.118 0.000 0.777 86 P CB 0.460 32.148 31.700 -0.020 0.000 0.794 87 R N -0.560 119.873 120.500 -0.112 0.000 2.235 87 R HA 0.135 4.475 4.340 -0.000 0.000 0.213 87 R C 1.225 177.477 176.300 -0.080 0.000 1.059 87 R CA 0.131 56.192 56.100 -0.066 0.000 0.997 87 R CB -1.246 29.030 30.300 -0.040 0.000 0.884 87 R HN 0.244 nan 8.270 nan 0.000 0.462 88 L N 1.302 122.451 121.223 -0.123 0.000 2.482 88 L HA -0.016 4.324 4.340 -0.000 0.000 0.273 88 L C 0.603 177.426 176.870 -0.078 0.000 1.228 88 L CA 0.066 54.840 54.840 -0.109 0.000 0.827 88 L CB 0.297 42.265 42.059 -0.152 0.000 1.099 88 L HN 0.023 nan 8.230 nan 0.000 0.494 89 K N 1.317 121.679 120.400 -0.063 0.000 2.401 89 K HA 0.027 4.347 4.320 -0.000 0.000 0.278 89 K C 1.163 177.732 176.600 -0.053 0.000 1.018 89 K CA 0.024 56.283 56.287 -0.047 0.000 0.981 89 K CB 0.965 33.442 32.500 -0.038 0.000 0.933 89 K HN 0.613 nan 8.250 nan 0.000 0.477 90 S N 2.384 118.060 115.700 -0.040 0.000 2.378 90 S HA -0.305 4.165 4.470 -0.000 0.000 0.229 90 S C 1.927 176.502 174.600 -0.041 0.000 1.052 90 S CA 1.969 60.146 58.200 -0.037 0.000 1.084 90 S CB -0.215 62.972 63.200 -0.023 0.000 0.950 90 S HN 0.788 nan 8.310 nan 0.000 0.440 91 A N 1.105 123.904 122.820 -0.034 0.000 1.892 91 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 91 A C 2.014 179.573 177.584 -0.043 0.000 1.188 91 A CA 2.044 54.061 52.037 -0.033 0.000 0.631 91 A CB -0.775 18.210 19.000 -0.025 0.000 0.822 91 A HN 0.602 nan 8.150 nan 0.000 0.447 92 E N -0.353 119.816 120.200 -0.051 0.000 2.077 92 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 92 E C 1.962 178.508 176.600 -0.090 0.000 0.989 92 E CA 1.314 57.675 56.400 -0.065 0.000 0.800 92 E CB -0.283 29.374 29.700 -0.071 0.000 0.746 92 E HN 0.645 nan 8.360 nan 0.000 0.452 93 L N 0.222 121.384 121.223 -0.102 0.000 2.093 93 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 93 L C 2.489 179.298 176.870 -0.101 0.000 1.085 93 L CA 0.928 55.690 54.840 -0.130 0.000 0.755 93 L CB -0.376 41.610 42.059 -0.122 0.000 0.904 93 L HN 0.158 nan 8.230 nan 0.000 0.435 94 A N -0.204 122.574 122.820 -0.071 0.000 1.898 94 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 94 A C 2.198 179.755 177.584 -0.046 0.000 1.181 94 A CA 1.721 53.726 52.037 -0.054 0.000 0.620 94 A CB -0.388 18.587 19.000 -0.040 0.000 0.819 94 A HN 0.350 nan 8.150 nan 0.000 0.442 95 E N 0.194 120.368 120.200 -0.043 0.000 2.072 95 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 95 E C 1.844 178.430 176.600 -0.023 0.000 0.985 95 E CA 1.167 57.550 56.400 -0.029 0.000 0.801 95 E CB -0.391 29.294 29.700 -0.024 0.000 0.750 95 E HN 0.577 nan 8.360 nan 0.000 0.452 96 L N -0.033 121.162 121.223 -0.047 0.000 2.017 96 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 96 L C 2.464 179.329 176.870 -0.007 0.000 1.073 96 L CA 1.124 55.945 54.840 -0.032 0.000 0.745 96 L CB -0.392 41.579 42.059 -0.146 0.000 0.894 96 L HN 0.205 nan 8.230 nan 0.000 0.432 97 I N -0.662 119.880 120.570 -0.047 0.000 2.335 97 I HA -0.338 3.832 4.170 -0.000 0.000 0.251 97 I C 2.910 179.022 176.117 -0.010 0.000 1.129 97 I CA 1.120 62.403 61.300 -0.029 0.000 1.402 97 I CB -0.364 37.603 38.000 -0.056 0.000 1.069 97 I HN 0.097 nan 8.210 nan 0.000 0.424 98 K N 1.127 121.520 120.400 -0.012 0.000 1.985 98 K HA -0.125 4.195 4.320 -0.000 0.000 0.210 98 K C 2.207 178.812 176.600 0.010 0.000 1.047 98 K CA 1.552 57.836 56.287 -0.005 0.000 0.932 98 K CB -0.437 32.057 32.500 -0.009 0.000 0.716 98 K HN 0.378 nan 8.250 nan 0.000 0.439 99 R N -0.798 119.715 120.500 0.021 0.000 2.117 99 R HA -0.070 4.270 4.340 -0.000 0.000 0.243 99 R C 2.623 178.950 176.300 0.045 0.000 1.143 99 R CA 1.555 57.676 56.100 0.035 0.000 0.968 99 R CB -0.816 29.515 30.300 0.051 0.000 0.863 99 R HN 0.513 nan 8.270 nan 0.000 0.444 100 G N 0.571 109.406 108.800 0.057 0.000 2.848 100 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.208 100 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.208 100 G C -0.071 174.848 174.900 0.032 0.000 1.152 100 G CA -0.175 44.962 45.100 0.063 0.000 0.789 100 G HN 0.355 nan 8.290 nan 0.000 0.531 101 E N -1.337 118.874 120.200 0.018 0.000 2.325 101 E HA -0.237 4.113 4.350 -0.000 0.000 0.232 101 E C 0.294 176.893 176.600 -0.003 0.000 1.276 101 E CA -0.211 56.191 56.400 0.004 0.000 0.717 101 E CB -0.905 28.797 29.700 0.004 0.000 1.192 101 E HN 0.378 nan 8.360 nan 0.000 0.380 102 M N -0.269 119.330 119.600 -0.002 0.000 2.260 102 M HA -0.052 4.428 4.480 -0.000 0.000 0.348 102 M C 1.545 177.829 176.300 -0.026 0.000 1.342 102 M CA 0.994 56.286 55.300 -0.013 0.000 1.040 102 M CB 0.759 33.351 32.600 -0.014 0.000 1.810 102 M HN 0.006 nan 8.290 nan 0.000 0.453 103 T N 2.011 116.547 114.554 -0.031 0.000 2.857 103 T HA 0.275 4.625 4.350 -0.000 0.000 0.266 103 T C 0.504 175.176 174.700 -0.047 0.000 1.048 103 T CA 0.996 63.074 62.100 -0.037 0.000 1.139 103 T CB 0.005 68.851 68.868 -0.037 0.000 0.874 103 T HN 0.767 nan 8.240 nan 0.000 0.455 104 A N 0.009 122.798 122.820 -0.052 0.000 2.593 104 A HA 0.848 5.168 4.320 -0.000 0.000 0.290 104 A C -1.662 175.878 177.584 -0.073 0.000 1.126 104 A CA -0.579 51.417 52.037 -0.068 0.000 0.695 104 A CB 1.238 20.197 19.000 -0.067 0.000 1.290 104 A HN 0.361 nan 8.150 nan 0.000 0.414 105 A N 0.510 123.272 122.820 -0.096 0.000 2.522 105 A HA 0.581 4.901 4.320 -0.000 0.000 0.285 105 A C -0.893 176.622 177.584 -0.115 0.000 1.198 105 A CA -0.328 51.650 52.037 -0.099 0.000 0.742 105 A CB 0.581 19.520 19.000 -0.103 0.000 1.176 105 A HN 1.339 nan 8.150 nan 0.000 0.444 106 V N 4.851 124.715 119.914 -0.083 0.000 2.397 106 V HA 0.266 4.386 4.120 -0.000 0.000 0.262 106 V C 0.355 176.422 176.094 -0.046 0.000 1.047 106 V CA 0.379 62.640 62.300 -0.065 0.000 1.003 106 V CB -0.484 31.318 31.823 -0.035 0.000 1.037 106 V HN 0.713 nan 8.190 nan 0.000 0.480 107 I N 2.006 122.551 120.570 -0.042 0.000 2.603 107 I HA 0.947 5.117 4.170 -0.000 0.000 0.300 107 I C 0.153 176.329 176.117 0.098 0.000 1.017 107 I CA -0.911 60.395 61.300 0.011 0.000 1.098 107 I CB 2.350 40.347 38.000 -0.004 0.000 1.279 107 I HN 0.446 nan 8.210 nan 0.000 0.437 108 A N 4.844 127.718 122.820 0.091 0.000 3.045 108 A HA 0.747 5.067 4.320 -0.000 0.000 0.244 108 A C -0.021 177.612 177.584 0.080 0.000 0.917 108 A CA 0.193 52.295 52.037 0.108 0.000 1.075 108 A CB -0.263 18.790 19.000 0.087 0.000 1.202 108 A HN 0.954 nan 8.150 nan 0.000 0.486 113 V N 0.932 120.866 119.914 0.033 0.000 2.591 113 V HA 0.506 4.626 4.120 -0.000 0.000 0.249 113 V C 2.645 178.752 176.094 0.022 0.000 1.053 113 V CA 2.821 65.131 62.300 0.017 0.000 1.068 113 V CB -1.052 30.776 31.823 0.008 0.000 0.689 113 V HN 1.168 nan 8.190 nan 0.000 0.462 114 A N 0.076 122.936 122.820 0.067 0.000 1.933 114 A HA -0.262 4.058 4.320 -0.000 0.000 0.218 114 A C 2.023 179.631 177.584 0.040 0.000 1.175 114 A CA 1.969 54.045 52.037 0.065 0.000 0.628 114 A CB -0.670 18.461 19.000 0.218 0.000 0.814 114 A HN 0.593 nan 8.150 nan 0.000 0.444 115 D N 0.139 120.567 120.400 0.048 0.000 2.106 115 D HA -0.137 4.503 4.640 -0.000 0.000 0.191 115 D C 2.275 178.579 176.300 0.007 0.000 0.997 115 D CA 1.874 55.891 54.000 0.027 0.000 0.834 115 D CB -0.525 40.289 40.800 0.023 0.000 0.956 115 D HN 0.411 nan 8.370 nan 0.000 0.448 116 A N 0.303 123.124 122.820 0.001 0.000 1.940 116 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 116 A C 2.421 179.994 177.584 -0.019 0.000 1.176 116 A CA 1.153 53.183 52.037 -0.011 0.000 0.631 116 A CB -0.757 18.233 19.000 -0.016 0.000 0.814 116 A HN 0.256 nan 8.150 nan 0.000 0.446 117 I N -1.112 119.444 120.570 -0.025 0.000 2.252 117 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 117 I C 2.872 178.969 176.117 -0.033 0.000 1.102 117 I CA 1.755 63.033 61.300 -0.037 0.000 1.385 117 I CB -0.611 37.357 38.000 -0.054 0.000 1.064 117 I HN 0.419 nan 8.210 nan 0.000 0.414 118 F N 0.206 120.140 119.950 -0.027 0.000 2.134 118 F HA -0.213 4.314 4.527 -0.000 0.000 0.299 118 F C 2.319 178.109 175.800 -0.017 0.000 1.097 118 F CA 1.964 59.951 58.000 -0.022 0.000 1.264 118 F CB -1.049 37.943 39.000 -0.013 0.000 1.001 118 F HN 0.157 nan 8.300 nan 0.000 0.479 119 Q N 0.366 120.158 119.800 -0.013 0.000 2.322 119 Q HA 0.001 4.341 4.340 -0.000 0.000 0.203 119 Q C 1.866 177.858 176.000 -0.013 0.000 0.923 119 Q CA 0.701 56.498 55.803 -0.011 0.000 0.949 119 Q CB -0.177 28.557 28.738 -0.007 0.000 1.039 119 Q HN 0.768 nan 8.270 nan 0.000 0.496 120 S N -2.954 112.736 115.700 -0.017 0.000 2.517 120 S HA 0.288 4.758 4.470 -0.000 0.000 0.214 120 S C 1.388 175.979 174.600 -0.015 0.000 0.991 120 S CA 0.357 58.547 58.200 -0.017 0.000 0.906 120 S CB 0.862 64.048 63.200 -0.022 0.000 0.789 120 S HN 0.499 nan 8.310 nan 0.000 0.513 121 G N 1.759 110.550 108.800 -0.016 0.000 2.659 121 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.212 121 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.212 121 G C 0.363 175.252 174.900 -0.017 0.000 1.226 121 G CA 0.116 45.207 45.100 -0.014 0.000 0.739 121 G HN 1.497 nan 8.290 nan 0.000 0.528 122 S N 1.814 117.503 115.700 -0.019 0.000 3.298 122 S HA 0.355 4.825 4.470 -0.000 0.000 0.389 122 S C 1.245 175.828 174.600 -0.028 0.000 1.186 122 S CA 1.145 59.332 58.200 -0.022 0.000 1.034 122 S CB 0.357 63.542 63.200 -0.025 0.000 0.735 122 S HN 1.945 nan 8.310 nan 0.000 0.510 123 G N 3.811 112.595 108.800 -0.026 0.000 3.581 123 G HA2 0.518 4.478 3.960 -0.000 0.000 0.255 123 G HA3 0.518 4.478 3.960 -0.000 0.000 0.255 123 G C 0.288 175.165 174.900 -0.038 0.000 1.121 123 G CA -0.085 44.997 45.100 -0.031 0.000 1.739 123 G HN 1.210 nan 8.290 nan 0.000 0.646 124 A N 1.056 123.849 122.820 -0.046 0.000 2.354 124 A HA 0.552 4.872 4.320 -0.000 0.000 0.281 124 A C 0.690 178.228 177.584 -0.076 0.000 1.174 124 A CA -0.665 51.338 52.037 -0.057 0.000 0.828 124 A CB 0.348 19.313 19.000 -0.058 0.000 1.099 124 A HN 0.527 nan 8.150 nan 0.000 0.516 125 R N 1.889 122.343 120.500 -0.078 0.000 2.446 125 R HA 0.128 4.468 4.340 -0.000 0.000 0.314 125 R C -0.699 175.514 176.300 -0.145 0.000 1.003 125 R CA 0.416 56.458 56.100 -0.097 0.000 1.018 125 R CB -0.060 30.192 30.300 -0.080 0.000 0.945 125 R HN 0.659 nan 8.270 nan 0.000 0.419 126 I N 5.552 126.001 120.570 -0.201 0.000 2.406 126 I HA 0.074 4.244 4.170 -0.000 0.000 0.293 126 I C 0.210 176.048 176.117 -0.464 0.000 1.101 126 I CA 0.317 61.411 61.300 -0.343 0.000 1.334 126 I CB 0.251 37.995 38.000 -0.428 0.000 1.421 126 I HN 0.409 nan 8.210 nan 0.000 0.513 127 I N 6.916 127.261 120.570 -0.374 0.000 2.321 127 I HA 0.290 4.460 4.170 -0.000 0.000 0.291 127 I C -0.317 175.611 176.117 -0.316 0.000 0.998 127 I CA -0.463 60.657 61.300 -0.299 0.000 1.227 127 I CB 0.650 38.567 38.000 -0.139 0.000 1.368 127 I HN 0.317 nan 8.210 nan 0.000 0.466 128 F N 5.608 125.542 119.950 -0.026 0.000 2.427 128 F HA 0.094 4.621 4.527 0.000 0.000 0.352 128 F C 1.125 176.917 175.800 -0.014 0.000 1.100 128 F CA -0.562 57.426 58.000 -0.019 0.000 1.191 128 F CB 0.886 39.873 39.000 -0.021 0.000 1.128 128 F HN 0.452 nan 8.300 nan 0.000 0.533 129 L N 3.752 125.080 121.223 0.176 0.000 2.079 129 L HA -0.052 4.288 4.340 -0.000 0.000 0.210 129 L C 2.245 179.185 176.870 0.116 0.000 1.081 129 L CA 1.961 56.866 54.840 0.108 0.000 0.752 129 L CB -1.040 41.074 42.059 0.090 0.000 0.896 129 L HN 0.775 nan 8.230 nan 0.000 0.433 130 G N -1.625 107.254 108.800 0.132 0.000 2.559 130 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.216 130 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.216 130 G C 1.042 176.029 174.900 0.144 0.000 1.126 130 G CA 0.718 45.895 45.100 0.128 0.000 0.778 130 G HN 0.448 nan 8.290 nan 0.000 0.543 131 D N -0.294 120.150 120.400 0.073 0.000 2.349 131 D HA 0.161 4.801 4.640 -0.000 0.000 0.214 131 D C 2.164 178.393 176.300 -0.118 0.000 1.063 131 D CA -0.021 53.903 54.000 -0.126 0.000 0.847 131 D CB 0.692 41.438 40.800 -0.090 0.000 0.933 131 D HN 0.320 nan 8.370 nan 0.000 0.513 132 L N -0.391 120.866 121.223 0.057 0.000 2.349 132 L HA 0.212 4.552 4.340 -0.000 0.000 0.200 132 L C 0.554 177.533 176.870 0.183 0.000 1.064 132 L CA 0.294 55.180 54.840 0.077 0.000 0.821 132 L CB 0.898 42.980 42.059 0.039 0.000 1.027 132 L HN -0.192 nan 8.230 nan 0.000 0.476 133 V N 0.257 120.276 119.914 0.175 0.000 2.817 133 V HA 0.514 4.634 4.120 -0.000 0.000 0.303 133 V C -1.549 174.625 176.094 0.132 0.000 1.151 133 V CA -0.621 61.766 62.300 0.144 0.000 0.929 133 V CB 2.493 34.364 31.823 0.080 0.000 1.030 133 V HN 0.093 nan 8.190 nan 0.000 0.427 134 R N 4.071 124.632 120.500 0.103 0.000 2.513 134 R HA 0.412 4.752 4.340 -0.000 0.000 0.301 134 R C -0.476 175.844 176.300 0.033 0.000 0.968 134 R CA -0.225 55.923 56.100 0.079 0.000 0.872 134 R CB 1.403 31.762 30.300 0.098 0.000 1.177 134 R HN 0.948 nan 8.270 nan 0.000 0.444 135 D N 2.648 123.068 120.400 0.034 0.000 2.702 135 D HA -0.225 4.415 4.640 -0.000 0.000 0.233 135 D C 0.793 177.100 176.300 0.011 0.000 1.164 135 D CA 1.837 55.849 54.000 0.020 0.000 0.638 135 D CB -0.614 40.191 40.800 0.010 0.000 1.041 135 D HN 1.031 nan 8.370 nan 0.000 0.422 136 G N -1.261 107.550 108.800 0.019 0.000 2.225 136 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.254 136 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.254 136 G C 0.138 175.038 174.900 0.001 0.000 0.988 136 G CA 0.442 45.549 45.100 0.012 0.000 0.625 136 G HN 0.466 nan 8.290 nan 0.000 0.527 137 E N 2.095 122.288 120.200 -0.013 0.000 2.113 137 E HA 0.574 4.924 4.350 -0.000 0.000 0.273 137 E C -2.003 174.564 176.600 -0.054 0.000 0.924 137 E CA -1.038 55.339 56.400 -0.039 0.000 0.764 137 E CB 2.553 32.215 29.700 -0.063 0.000 1.104 137 E HN 0.492 nan 8.360 nan 0.000 0.406 138 P HA 0.296 nan 4.420 nan 0.000 0.278 138 P C -0.854 176.430 177.300 -0.027 0.000 1.258 138 P CA -0.611 62.501 63.100 0.019 0.000 0.811 138 P CB 0.652 32.367 31.700 0.024 0.000 1.063 139 Y N -0.272 120.018 120.300 -0.016 0.000 2.383 139 Y HA 0.225 4.775 4.550 -0.000 0.000 0.344 139 Y C 1.044 176.900 175.900 -0.074 0.000 0.986 139 Y CA 0.172 58.270 58.100 -0.005 0.000 1.175 139 Y CB 0.736 39.211 38.460 0.026 0.000 1.152 139 Y HN 0.182 nan 8.280 nan 0.000 0.511 140 S N 4.505 120.260 115.700 0.092 0.000 2.541 140 S HA 0.663 5.133 4.470 -0.000 0.000 0.283 140 S C -1.179 173.484 174.600 0.105 0.000 1.196 140 S CA -0.664 57.547 58.200 0.018 0.000 1.062 140 S CB 0.585 63.806 63.200 0.035 0.000 1.009 140 S HN 0.631 nan 8.310 nan 0.000 0.502 141 Y N -1.659 118.684 120.300 0.072 0.000 2.765 141 Y HA 0.623 5.173 4.550 -0.000 0.000 0.350 141 Y C -0.386 175.546 175.900 0.053 0.000 1.196 141 Y CA -0.635 57.499 58.100 0.057 0.000 1.119 141 Y CB 0.372 38.867 38.460 0.058 0.000 1.368 141 Y HN 1.143 nan 8.280 nan 0.000 0.463 142 G N 1.332 110.325 108.800 0.322 0.000 2.629 142 G HA2 0.190 4.150 3.960 -0.000 0.000 0.686 142 G HA3 0.190 4.150 3.960 -0.000 0.000 0.686 142 G C -3.189 171.782 174.900 0.118 0.000 1.232 142 G CA -0.818 44.413 45.100 0.218 0.000 0.803 142 G HN 0.741 nan 8.290 nan 0.000 0.638 143 P HA 0.389 nan 4.420 nan 0.000 0.275 143 P C -2.135 175.174 177.300 0.016 0.000 1.227 143 P CA -0.949 62.180 63.100 0.049 0.000 0.781 143 P CB 0.073 31.799 31.700 0.043 0.000 0.906 144 P HA 0.008 nan 4.420 nan 0.000 0.266 144 P C 0.021 177.278 177.300 -0.073 0.000 1.186 144 P CA 0.464 63.547 63.100 -0.028 0.000 0.767 144 P CB 0.259 31.949 31.700 -0.017 0.000 0.820 145 I N -1.781 118.723 120.570 -0.109 0.000 2.693 145 I HA 0.465 4.635 4.170 -0.000 0.000 0.303 145 I C 0.467 176.495 176.117 -0.148 0.000 1.025 145 I CA -1.347 59.832 61.300 -0.202 0.000 1.086 145 I CB 1.881 39.666 38.000 -0.359 0.000 1.268 145 I HN 0.272 nan 8.210 nan 0.000 0.440 146 E N 2.367 122.470 120.200 -0.161 0.000 2.404 146 E HA 0.030 4.380 4.350 -0.000 0.000 0.261 146 E C -1.160 175.384 176.600 -0.093 0.000 1.074 146 E CA -0.384 55.955 56.400 -0.101 0.000 0.917 146 E CB 0.872 30.522 29.700 -0.083 0.000 0.965 146 E HN 0.673 nan 8.360 nan 0.000 0.433 147 D N 3.030 123.391 120.400 -0.065 0.000 2.347 147 D HA 0.202 4.842 4.640 -0.000 0.000 0.235 147 D C -1.992 174.276 176.300 -0.054 0.000 1.149 147 D CA -1.868 52.095 54.000 -0.062 0.000 0.850 147 D CB 0.557 41.330 40.800 -0.045 0.000 1.061 147 D HN 0.217 nan 8.370 nan 0.000 0.487 148 P HA 0.068 nan 4.420 nan 0.000 0.269 148 P C -0.509 176.768 177.300 -0.039 0.000 1.215 148 P CA -0.378 62.694 63.100 -0.045 0.000 0.780 148 P CB 0.559 32.229 31.700 -0.050 0.000 0.898 149 Q N 1.797 121.582 119.800 -0.025 0.000 2.313 149 Q HA 0.148 4.488 4.340 -0.000 0.000 0.266 149 Q C -0.433 175.557 176.000 -0.016 0.000 0.989 149 Q CA 0.463 56.257 55.803 -0.016 0.000 0.890 149 Q CB 0.403 29.135 28.738 -0.010 0.000 1.200 149 Q HN 0.252 nan 8.270 nan 0.000 0.396 150 R N 3.063 123.559 120.500 -0.007 0.000 2.445 150 R HA 0.386 4.726 4.340 -0.000 0.000 0.308 150 R C -0.785 175.524 176.300 0.014 0.000 0.961 150 R CA -0.834 55.269 56.100 0.005 0.000 0.862 150 R CB 1.409 31.720 30.300 0.020 0.000 1.144 150 R HN 0.581 nan 8.270 nan 0.000 0.447 151 E N 3.279 123.486 120.200 0.012 0.000 2.191 151 E HA 0.195 4.545 4.350 -0.000 0.000 0.274 151 E C -1.799 174.810 176.600 0.015 0.000 0.948 151 E CA -2.404 54.001 56.400 0.010 0.000 0.802 151 E CB 1.477 31.177 29.700 0.000 0.000 1.137 151 E HN 0.267 nan 8.360 nan 0.000 0.397 152 P HA -0.226 nan 4.420 nan 0.000 0.217 152 P C 0.811 178.110 177.300 -0.000 0.000 1.158 152 P CA 2.035 65.140 63.100 0.009 0.000 0.887 152 P CB 0.250 31.950 31.700 -0.000 0.000 0.792 153 A N -1.199 121.615 122.820 -0.011 0.000 2.208 153 A HA -0.061 4.259 4.320 -0.000 0.000 0.209 153 A C 1.397 178.970 177.584 -0.017 0.000 1.161 153 A CA -0.003 52.020 52.037 -0.023 0.000 0.782 153 A CB -0.990 17.988 19.000 -0.035 0.000 0.816 153 A HN 0.219 nan 8.150 nan 0.000 0.477 154 Q N 0.922 120.719 119.800 -0.005 0.000 2.361 154 Q HA 0.122 4.462 4.340 -0.000 0.000 0.276 154 Q C -2.450 173.552 176.000 0.003 0.000 1.022 154 Q CA -1.768 54.032 55.803 -0.005 0.000 0.898 154 Q CB 0.464 29.201 28.738 -0.002 0.000 1.246 154 Q HN 0.132 nan 8.270 nan 0.000 0.410 155 P HA -0.068 nan 4.420 nan 0.000 0.265 155 P C -1.103 176.183 177.300 -0.023 0.000 1.187 155 P CA 0.521 63.619 63.100 -0.004 0.000 0.766 155 P CB 0.968 32.657 31.700 -0.019 0.000 0.820 156 A N 2.147 124.954 122.820 -0.023 0.000 1.853 156 A HA 0.432 4.752 4.320 -0.000 0.000 0.204 156 A C -0.249 176.975 177.584 -0.599 0.000 1.724 156 A CA 0.645 52.555 52.037 -0.211 0.000 1.105 156 A CB 0.211 19.218 19.000 0.011 0.000 1.101 156 A HN 0.431 nan 8.150 nan 0.000 0.495 157 F N -0.303 119.705 119.950 0.097 0.000 2.613 157 F HA 0.641 5.168 4.527 0.000 0.000 0.310 157 F C -0.798 175.006 175.800 0.006 0.000 1.085 157 F CA -0.978 57.018 58.000 -0.007 0.000 0.945 157 F CB 1.760 40.803 39.000 0.071 0.000 1.298 157 F HN -0.126 nan 8.300 nan 0.000 0.455 158 I N 2.489 123.052 120.570 -0.012 0.000 2.436 158 I HA 0.419 4.589 4.170 -0.000 0.000 0.289 158 I C -1.029 174.925 176.117 -0.272 0.000 1.010 158 I CA -0.875 60.385 61.300 -0.066 0.000 1.098 158 I CB 1.308 39.242 38.000 -0.109 0.000 1.266 158 I HN 0.417 nan 8.210 nan 0.000 0.434 159 F N 5.015 124.923 119.950 -0.070 0.000 2.561 159 F HA 0.548 5.074 4.527 -0.000 0.000 0.321 159 F C -0.373 175.333 175.800 -0.157 0.000 1.065 159 F CA -0.671 57.323 58.000 -0.010 0.000 0.934 159 F CB 1.832 40.834 39.000 0.004 0.000 1.215 159 F HN 0.210 nan 8.300 nan 0.000 0.471 160 Y N 0.160 120.574 120.300 0.189 0.000 2.457 160 Y HA 0.501 5.052 4.550 0.000 0.000 0.333 160 Y C 0.762 176.714 175.900 0.087 0.000 1.119 160 Y CA -0.940 57.224 58.100 0.107 0.000 1.143 160 Y CB 1.657 40.144 38.460 0.045 0.000 1.230 160 Y HN 0.668 nan 8.280 nan 0.000 0.469 161 T N -2.158 112.504 114.554 0.180 0.000 2.920 161 T HA 0.430 4.780 4.350 -0.000 0.000 0.292 161 T C 0.491 175.246 174.700 0.091 0.000 1.093 161 T CA -0.397 61.758 62.100 0.093 0.000 0.944 161 T CB 0.039 68.927 68.868 0.034 0.000 1.605 161 T HN 0.784 nan 8.240 nan 0.000 0.590 167 L N 2.093 123.312 121.223 -0.007 0.000 2.416 167 L HA 0.289 4.629 4.340 -0.000 0.000 0.272 167 L C -1.446 175.435 176.870 0.018 0.000 1.161 167 L CA -1.277 53.565 54.840 0.003 0.000 0.845 167 L CB 0.861 42.924 42.059 0.007 0.000 1.119 167 L HN 0.282 nan 8.230 nan 0.000 0.464 168 P HA -0.076 nan 4.420 nan 0.000 0.261 168 P C -1.120 176.279 177.300 0.166 0.000 1.158 168 P CA 0.556 63.719 63.100 0.105 0.000 0.758 168 P CB 0.116 31.899 31.700 0.137 0.000 0.763 169 K N 1.484 121.922 120.400 0.064 0.000 2.098 169 K HA 0.650 4.970 4.320 -0.000 0.000 0.258 169 K C -0.082 176.485 176.600 -0.055 0.000 0.973 169 K CA -0.958 55.316 56.287 -0.021 0.000 0.898 169 K CB 1.417 33.709 32.500 -0.347 0.000 1.057 169 K HN 0.366 nan 8.250 nan 0.000 0.447 170 A N 1.644 124.380 122.820 -0.140 0.000 2.366 170 A HA 0.480 4.800 4.320 -0.000 0.000 0.322 170 A C -0.215 177.324 177.584 -0.075 0.000 1.397 170 A CA -0.617 51.090 52.037 -0.551 0.000 0.984 170 A CB 0.045 18.774 19.000 -0.452 0.000 1.149 170 A HN 0.733 nan 8.150 nan 0.000 0.540 171 A N 3.643 126.436 122.820 -0.044 0.000 2.309 171 A HA 0.605 4.925 4.320 -0.000 0.000 0.290 171 A C -0.035 177.623 177.584 0.124 0.000 1.206 171 A CA -0.329 51.789 52.037 0.134 0.000 0.850 171 A CB -0.129 18.863 19.000 -0.013 0.000 1.118 171 A HN 0.758 nan 8.150 nan 0.000 0.523 172 I N 4.179 124.849 120.570 0.166 0.000 2.312 172 I HA 0.181 4.351 4.170 -0.000 0.000 0.291 172 I C -0.473 175.732 176.117 0.146 0.000 1.031 172 I CA -0.343 61.023 61.300 0.110 0.000 1.293 172 I CB 0.801 38.822 38.000 0.035 0.000 1.403 172 I HN 0.403 nan 8.210 nan 0.000 0.484 173 I N 9.080 129.777 120.570 0.211 0.000 2.307 173 I HA 0.327 4.497 4.170 -0.000 0.000 0.289 173 I C -2.023 174.212 176.117 0.198 0.000 1.021 173 I CA -2.572 58.866 61.300 0.229 0.000 1.224 173 I CB 0.671 38.918 38.000 0.411 0.000 1.376 173 I HN 0.248 nan 8.210 nan 0.000 0.470 174 P HA 0.141 nan 4.420 nan 0.000 0.276 174 P C 0.381 177.745 177.300 0.107 0.000 1.252 174 P CA -0.353 62.786 63.100 0.065 0.000 0.802 174 P CB 1.105 32.806 31.700 0.002 0.000 1.035 175 Q N 1.378 121.237 119.800 0.099 0.000 2.152 175 Q HA -0.199 4.141 4.340 -0.000 0.000 0.206 175 Q C 1.932 177.995 176.000 0.104 0.000 0.985 175 Q CA 1.943 57.829 55.803 0.138 0.000 0.863 175 Q CB -0.530 28.273 28.738 0.108 0.000 0.904 175 Q HN 0.625 nan 8.270 nan 0.000 0.422 176 R N -0.335 120.190 120.500 0.040 0.000 2.323 176 R HA 0.245 4.585 4.340 -0.000 0.000 0.198 176 R C 1.662 177.930 176.300 -0.054 0.000 0.988 176 R CA 0.824 56.925 56.100 0.002 0.000 1.041 176 R CB -0.085 30.206 30.300 -0.014 0.000 0.926 176 R HN 0.068 nan 8.270 nan 0.000 0.476 177 A N 1.012 123.788 122.820 -0.073 0.000 2.132 177 A HA 0.315 4.635 4.320 -0.000 0.000 0.213 177 A C 2.295 179.689 177.584 -0.318 0.000 1.154 177 A CA 0.589 52.503 52.037 -0.204 0.000 0.753 177 A CB -0.158 18.714 19.000 -0.214 0.000 0.826 177 A HN 0.446 nan 8.150 nan 0.000 0.469 178 A N 0.172 122.897 122.820 -0.158 0.000 1.902 178 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 178 A C 1.969 179.481 177.584 -0.121 0.000 1.181 178 A CA 1.791 53.761 52.037 -0.112 0.000 0.623 178 A CB -0.430 18.698 19.000 0.214 0.000 0.818 178 A HN 0.617 nan 8.150 nan 0.000 0.443 179 E N 0.032 120.176 120.200 -0.092 0.000 2.028 179 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 179 E C 2.302 178.808 176.600 -0.156 0.000 0.988 179 E CA 1.484 57.846 56.400 -0.064 0.000 0.799 179 E CB -0.084 29.606 29.700 -0.017 0.000 0.755 179 E HN 0.749 nan 8.360 nan 0.000 0.447 180 S N 0.183 115.660 115.700 -0.373 0.000 2.428 180 S HA -0.060 4.410 4.470 -0.000 0.000 0.230 180 S C 1.807 176.150 174.600 -0.429 0.000 1.014 180 S CA 0.409 58.119 58.200 -0.816 0.000 0.957 180 S CB -0.212 62.191 63.200 -1.329 0.000 0.784 180 S HN 0.186 nan 8.310 nan 0.000 0.499 181 R N 0.292 120.591 120.500 -0.335 0.000 2.235 181 R HA 0.134 4.474 4.340 -0.000 0.000 0.213 181 R C 1.648 178.013 176.300 0.107 0.000 1.059 181 R CA 0.908 56.883 56.100 -0.209 0.000 0.997 181 R CB -0.268 29.593 30.300 -0.731 0.000 0.884 181 R HN 0.370 nan 8.270 nan 0.000 0.462 182 V N 0.330 120.257 119.914 0.021 0.000 2.521 182 V HA -0.049 4.071 4.120 -0.000 0.000 0.239 182 V C 1.910 177.986 176.094 -0.031 0.000 1.053 182 V CA 0.884 63.189 62.300 0.008 0.000 1.073 182 V CB -0.039 31.787 31.823 0.005 0.000 0.746 182 V HN 0.208 nan 8.190 nan 0.000 0.476 183 L N 0.440 121.698 121.223 0.059 0.000 2.465 183 L HA -0.102 4.238 4.340 -0.000 0.000 0.224 183 L C 2.364 179.374 176.870 0.234 0.000 1.145 183 L CA 1.217 56.139 54.840 0.137 0.000 0.834 183 L CB -0.548 41.673 42.059 0.270 0.000 0.944 183 L HN 0.577 nan 8.230 nan 0.000 0.451 184 F N -1.306 118.780 119.950 0.227 0.000 2.293 184 F HA -0.164 4.363 4.527 0.000 0.000 0.300 184 F C 2.234 178.058 175.800 0.040 0.000 1.086 184 F CA 0.858 58.978 58.000 0.201 0.000 1.375 184 F CB -0.464 38.642 39.000 0.176 0.000 1.045 184 F HN -0.041 nan 8.300 nan 0.000 0.516 185 M N 0.423 119.502 119.600 -0.869 0.000 2.358 185 M HA -0.123 4.357 4.480 -0.000 0.000 0.264 185 M C 2.413 178.505 176.300 -0.346 0.000 1.064 185 M CA 1.369 56.250 55.300 -0.698 0.000 1.093 185 M CB -1.332 30.925 32.600 -0.571 0.000 1.401 185 M HN 0.504 nan 8.290 nan 0.000 0.440 186 S N -0.096 115.472 115.700 -0.220 0.000 2.398 186 S HA -0.069 4.401 4.470 -0.000 0.000 0.220 186 S C 2.014 176.531 174.600 -0.138 0.000 1.046 186 S CA 1.606 59.715 58.200 -0.152 0.000 0.953 186 S CB -0.223 62.922 63.200 -0.092 0.000 0.856 186 S HN 0.587 nan 8.310 nan 0.000 0.506 187 T N -0.511 113.972 114.554 -0.118 0.000 2.777 187 T HA -0.018 4.332 4.350 -0.000 0.000 0.266 187 T C 1.864 176.466 174.700 -0.163 0.000 1.040 187 T CA 1.270 63.269 62.100 -0.170 0.000 1.141 187 T CB -0.511 68.207 68.868 -0.250 0.000 0.868 187 T HN 0.293 nan 8.240 nan 0.000 0.444 188 Q N 0.381 120.070 119.800 -0.185 0.000 2.089 188 Q HA 0.259 4.599 4.340 -0.000 0.000 0.195 188 Q C 2.490 178.388 176.000 -0.170 0.000 0.963 188 Q CA 0.975 56.525 55.803 -0.422 0.000 0.834 188 Q CB -0.256 28.171 28.738 -0.519 0.000 0.906 188 Q HN 0.459 nan 8.270 nan 0.000 0.452 189 V N -1.580 118.239 119.914 -0.159 0.000 3.174 189 V HA 0.226 4.346 4.120 -0.000 0.000 0.254 189 V C 1.184 177.177 176.094 -0.168 0.000 1.120 189 V CA 1.057 63.269 62.300 -0.146 0.000 1.114 189 V CB 0.194 31.869 31.823 -0.246 0.000 0.756 189 V HN 0.540 nan 8.190 nan 0.000 0.467 190 G N 0.334 109.029 108.800 -0.175 0.000 2.144 190 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.218 190 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.218 190 G C 0.073 174.851 174.900 -0.203 0.000 0.988 190 G CA -0.104 44.929 45.100 -0.111 0.000 0.659 190 G HN 0.371 nan 8.290 nan 0.000 0.522 191 L N 0.707 121.734 121.223 -0.326 0.000 2.461 191 L HA 0.482 4.822 4.340 -0.000 0.000 0.272 191 L C 1.313 178.137 176.870 -0.078 0.000 1.197 191 L CA 0.105 54.800 54.840 -0.242 0.000 0.836 191 L CB 0.468 42.379 42.059 -0.246 0.000 1.105 191 L HN 0.582 nan 8.230 nan 0.000 0.477 192 R N 1.076 121.593 120.500 0.028 0.000 2.888 192 R HA 0.408 4.748 4.340 -0.000 0.000 0.264 192 R C -0.503 175.869 176.300 0.121 0.000 1.045 192 R CA -0.976 55.169 56.100 0.076 0.000 0.962 192 R CB 1.335 31.689 30.300 0.090 0.000 1.210 192 R HN 0.565 nan 8.270 nan 0.000 0.479 193 H N -0.070 119.029 119.070 0.048 0.000 2.815 193 H HA 0.384 4.940 4.556 0.000 0.000 0.350 193 H C -0.262 175.150 175.328 0.140 0.000 1.080 193 H CA 1.843 57.915 56.048 0.039 0.000 1.433 193 H CB 0.768 30.532 29.762 0.003 0.000 1.432 193 H HN 0.915 nan 8.280 nan 0.000 0.592 194 G N 3.878 112.237 108.800 -0.734 0.000 2.345 194 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.310 194 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.310 194 G C 0.076 174.754 174.900 -0.369 0.000 1.476 194 G CA -0.620 44.230 45.100 -0.418 0.000 0.978 194 G HN 0.607 nan 8.290 nan 0.000 0.656 195 R N -0.183 120.160 120.500 -0.262 0.000 2.276 195 R HA 0.015 4.355 4.340 -0.000 0.000 0.203 195 R C 2.130 178.338 176.300 -0.154 0.000 1.017 195 R CA 1.009 56.841 56.100 -0.445 0.000 1.010 195 R CB -0.170 29.733 30.300 -0.662 0.000 0.900 195 R HN 0.765 nan 8.270 nan 0.000 0.469 196 H N 0.038 119.046 119.070 -0.103 0.000 2.489 196 H HA 0.005 4.561 4.556 -0.000 0.000 0.293 196 H C 0.067 175.404 175.328 0.015 0.000 1.066 196 H CA 0.372 56.410 56.048 -0.016 0.000 1.305 196 H CB -0.559 29.193 29.762 -0.018 0.000 1.386 196 H HN -0.049 nan 8.280 nan 0.000 0.551 197 N N 1.869 120.146 118.700 -0.706 0.000 2.423 197 N HA 0.047 4.787 4.740 -0.000 0.000 0.275 197 N C -0.876 174.567 175.510 -0.112 0.000 1.283 197 N CA 0.236 53.032 53.050 -0.422 0.000 0.932 197 N CB 1.172 39.416 38.487 -0.405 0.000 1.185 197 N HN 0.070 nan 8.380 nan 0.000 0.483 198 V N 3.653 123.539 119.914 -0.046 0.000 2.376 198 V HA 0.253 4.373 4.120 -0.000 0.000 0.287 198 V C 0.092 176.183 176.094 -0.005 0.000 1.015 198 V CA -0.765 61.533 62.300 -0.003 0.000 0.834 198 V CB 1.912 33.741 31.823 0.009 0.000 1.001 198 V HN 0.190 nan 8.190 nan 0.000 0.428 199 V N 6.258 126.168 119.914 -0.007 0.000 2.357 199 V HA 0.386 4.506 4.120 -0.000 0.000 0.284 199 V C -0.163 175.878 176.094 -0.088 0.000 1.018 199 V CA -0.609 61.691 62.300 0.000 0.000 0.841 199 V CB 1.665 33.526 31.823 0.063 0.000 0.991 199 V HN 0.681 nan 8.190 nan 0.000 0.437 200 L N 4.923 126.103 121.223 -0.072 0.000 2.361 200 L HA 0.521 4.861 4.340 -0.000 0.000 0.278 200 L C 1.203 177.975 176.870 -0.164 0.000 1.113 200 L CA 0.581 55.339 54.840 -0.137 0.000 0.849 200 L CB 1.013 43.038 42.059 -0.058 0.000 1.155 200 L HN 0.694 nan 8.230 nan 0.000 0.452 201 G N 5.997 114.569 108.800 -0.379 0.000 3.284 201 G HA2 0.144 4.104 3.960 -0.000 0.000 0.251 201 G HA3 0.144 4.104 3.960 -0.000 0.000 0.251 201 G C 0.944 175.805 174.900 -0.064 0.000 0.913 201 G CA -0.268 44.672 45.100 -0.266 0.000 1.947 201 G HN 0.760 nan 8.290 nan 0.000 0.635 202 L N -0.077 121.121 121.223 -0.042 0.000 2.217 202 L HA 0.124 4.464 4.340 -0.000 0.000 0.211 202 L C 1.377 178.238 176.870 -0.013 0.000 1.107 202 L CA 0.431 55.223 54.840 -0.080 0.000 0.783 202 L CB -0.187 41.754 42.059 -0.198 0.000 0.919 202 L HN 0.317 nan 8.230 nan 0.000 0.442 203 M N 1.203 120.812 119.600 0.016 0.000 2.216 203 M HA 0.268 4.748 4.480 -0.000 0.000 0.356 203 M C -2.113 174.152 176.300 -0.059 0.000 1.205 203 M CA -2.454 52.824 55.300 -0.037 0.000 1.122 203 M CB 0.537 33.061 32.600 -0.127 0.000 1.571 203 M HN -0.241 nan 8.290 nan 0.000 0.464 204 P HA 0.080 nan 4.420 nan 0.000 0.269 204 P C 0.513 177.641 177.300 -0.286 0.000 1.209 204 P CA -0.085 62.837 63.100 -0.296 0.000 0.776 204 P CB 0.739 31.982 31.700 -0.762 0.000 0.876 205 L N 1.856 123.018 121.223 -0.103 0.000 2.465 205 L HA -0.115 4.225 4.340 -0.000 0.000 0.224 205 L C 2.120 179.069 176.870 0.132 0.000 1.145 205 L CA 1.021 55.894 54.840 0.056 0.000 0.834 205 L CB -0.876 41.252 42.059 0.115 0.000 0.944 205 L HN 0.492 nan 8.230 nan 0.000 0.451 206 Y N -3.415 117.001 120.300 0.193 0.000 2.511 206 Y HA 0.153 4.702 4.550 -0.000 0.000 0.279 206 Y C 1.229 177.366 175.900 0.395 0.000 1.157 206 Y CA -0.481 57.747 58.100 0.213 0.000 1.300 206 Y CB -0.557 37.967 38.460 0.108 0.000 1.052 206 Y HN 0.047 nan 8.280 nan 0.000 0.529 207 H N 1.926 120.977 119.070 -0.031 0.000 2.473 207 H HA 0.198 4.755 4.556 0.000 0.000 0.327 207 H C 1.397 176.669 175.328 -0.093 0.000 1.105 207 H CA 0.143 56.194 56.048 0.006 0.000 1.280 207 H CB 2.471 32.124 29.762 -0.181 0.000 1.450 207 H HN 0.197 nan 8.280 nan 0.000 0.492 208 V N 3.282 122.886 119.914 -0.517 0.000 2.453 208 V HA -0.206 3.914 4.120 -0.000 0.000 0.252 208 V C 1.982 178.032 176.094 -0.074 0.000 1.068 208 V CA 1.661 63.630 62.300 -0.551 0.000 1.070 208 V CB -1.192 30.276 31.823 -0.590 0.000 0.664 208 V HN 0.460 nan 8.190 nan 0.000 0.461 209 V N 1.867 121.852 119.914 0.118 0.000 2.270 209 V HA -0.054 4.066 4.120 -0.000 0.000 0.245 209 V C 3.004 179.018 176.094 -0.134 0.000 1.043 209 V CA 2.264 64.518 62.300 -0.077 0.000 1.014 209 V CB -1.597 29.976 31.823 -0.417 0.000 0.645 209 V HN 0.622 nan 8.190 nan 0.000 0.447 210 G N -0.934 107.822 108.800 -0.073 0.000 2.505 210 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.220 210 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.220 210 G C 1.542 176.426 174.900 -0.026 0.000 1.145 210 G CA 1.398 46.467 45.100 -0.052 0.000 0.761 210 G HN 0.479 nan 8.290 nan 0.000 0.571 211 F N 0.025 119.858 119.950 -0.195 0.000 2.123 211 F HA 0.308 4.835 4.527 -0.000 0.000 0.289 211 F C 2.338 177.894 175.800 -0.407 0.000 1.099 211 F CA 0.771 58.561 58.000 -0.349 0.000 1.234 211 F CB -0.160 38.597 39.000 -0.405 0.000 1.034 211 F HN 0.099 nan 8.300 nan 0.000 0.479 212 F N 0.121 119.897 119.950 -0.291 0.000 2.149 212 F HA 0.082 4.609 4.527 -0.000 0.000 0.294 212 F C 2.506 178.168 175.800 -0.230 0.000 1.095 212 F CA 1.019 58.818 58.000 -0.335 0.000 1.276 212 F CB -0.950 37.939 39.000 -0.185 0.000 1.023 212 F HN 0.027 nan 8.300 nan 0.000 0.480 213 A N -0.748 122.114 122.820 0.071 0.000 2.067 213 A HA 0.096 4.416 4.320 -0.000 0.000 0.217 213 A C 1.863 179.434 177.584 -0.023 0.000 1.156 213 A CA 1.321 53.370 52.037 0.020 0.000 0.683 213 A CB -0.531 18.553 19.000 0.140 0.000 0.808 213 A HN 0.195 nan 8.150 nan 0.000 0.455 214 V N -1.423 118.459 119.914 -0.053 0.000 3.097 214 V HA 0.060 4.180 4.120 -0.000 0.000 0.223 214 V C 2.082 178.160 176.094 -0.027 0.000 1.199 214 V CA 0.733 63.047 62.300 0.024 0.000 1.260 214 V CB -0.821 31.050 31.823 0.081 0.000 1.155 214 V HN 0.424 nan 8.190 nan 0.000 0.509 215 L N 0.760 121.840 121.223 -0.239 0.000 1.955 215 L HA -0.116 4.224 4.340 -0.000 0.000 0.213 215 L C 2.303 178.897 176.870 -0.461 0.000 1.072 215 L CA 2.341 56.829 54.840 -0.586 0.000 0.755 215 L CB -0.604 40.973 42.059 -0.803 0.000 0.888 215 L HN 0.148 nan 8.230 nan 0.000 0.432 216 V N 0.208 119.786 119.914 -0.561 0.000 2.358 216 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 216 V C 2.817 178.799 176.094 -0.186 0.000 1.047 216 V CA 1.555 63.602 62.300 -0.421 0.000 1.035 216 V CB -1.517 29.989 31.823 -0.528 0.000 0.658 216 V HN 0.637 nan 8.190 nan 0.000 0.452 217 A N 0.271 123.004 122.820 -0.144 0.000 1.908 217 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 217 A C 2.458 180.011 177.584 -0.051 0.000 1.181 217 A CA 2.391 54.378 52.037 -0.083 0.000 0.627 217 A CB -0.889 18.053 19.000 -0.097 0.000 0.818 217 A HN 0.590 nan 8.150 nan 0.000 0.445 218 A N -0.293 122.508 122.820 -0.032 0.000 1.883 218 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 218 A C 2.194 179.809 177.584 0.050 0.000 1.186 218 A CA 1.691 53.744 52.037 0.027 0.000 0.624 218 A CB -0.645 18.431 19.000 0.128 0.000 0.822 218 A HN 0.499 nan 8.150 nan 0.000 0.444 219 L N -1.122 120.122 121.223 0.036 0.000 2.109 219 L HA -0.065 4.275 4.340 -0.000 0.000 0.207 219 L C 2.977 179.952 176.870 0.176 0.000 1.086 219 L CA 0.871 55.801 54.840 0.151 0.000 0.760 219 L CB -0.526 41.558 42.059 0.042 0.000 0.910 219 L HN 0.404 nan 8.230 nan 0.000 0.437 220 A N 0.027 122.883 122.820 0.060 0.000 2.067 220 A HA -0.039 4.281 4.320 -0.000 0.000 0.219 220 A C 1.982 179.607 177.584 0.068 0.000 1.158 220 A CA 1.046 53.118 52.037 0.058 0.000 0.661 220 A CB -0.484 18.531 19.000 0.026 0.000 0.801 220 A HN 0.409 nan 8.150 nan 0.000 0.452 221 L N -0.663 120.580 121.223 0.033 0.000 2.653 221 L HA 0.118 4.458 4.340 -0.000 0.000 0.232 221 L C -0.366 176.414 176.870 -0.149 0.000 1.169 221 L CA -0.073 54.767 54.840 -0.001 0.000 0.951 221 L CB -0.212 41.810 42.059 -0.061 0.000 1.181 221 L HN 0.220 nan 8.230 nan 0.000 0.460 222 D N -0.437 119.914 120.400 -0.081 0.000 2.981 222 D HA -0.142 4.498 4.640 -0.000 0.000 0.223 222 D C 0.653 176.874 176.300 -0.131 0.000 1.151 222 D CA 1.112 54.976 54.000 -0.227 0.000 0.827 222 D CB -1.245 39.367 40.800 -0.313 0.000 1.101 222 D HN 0.500 nan 8.370 nan 0.000 0.426 223 G N -1.450 107.383 108.800 0.055 0.000 2.857 223 G HA2 0.692 4.652 3.960 -0.000 0.000 0.217 223 G HA3 0.692 4.652 3.960 -0.000 0.000 0.217 223 G C -0.381 174.697 174.900 0.297 0.000 1.357 223 G CA -0.178 44.983 45.100 0.100 0.000 1.033 223 G HN 0.092 nan 8.290 nan 0.000 0.571 224 T N -0.388 114.274 114.554 0.180 0.000 2.848 224 T HA 0.395 4.745 4.350 -0.000 0.000 0.285 224 T C -1.702 173.060 174.700 0.104 0.000 0.995 224 T CA -0.110 62.063 62.100 0.121 0.000 0.970 224 T CB 1.577 70.480 68.868 0.059 0.000 0.976 224 T HN 0.375 nan 8.240 nan 0.000 0.441 225 Y N 3.345 123.624 120.300 -0.035 0.000 2.335 225 Y HA 0.551 5.101 4.550 0.000 0.000 0.339 225 Y C -0.667 175.213 175.900 -0.033 0.000 0.987 225 Y CA -0.864 57.213 58.100 -0.039 0.000 1.140 225 Y CB 0.710 39.136 38.460 -0.057 0.000 1.173 225 Y HN 0.390 nan 8.280 nan 0.000 0.486 226 V N 7.762 127.360 119.914 -0.526 0.000 2.348 226 V HA 0.190 4.310 4.120 -0.000 0.000 0.270 226 V C -0.217 175.522 176.094 -0.590 0.000 1.037 226 V CA -0.924 61.142 62.300 -0.389 0.000 0.872 226 V CB 0.738 32.418 31.823 -0.239 0.000 1.002 226 V HN 0.600 nan 8.190 nan 0.000 0.464 227 V N 6.196 125.917 119.914 -0.321 0.000 2.572 227 V HA 0.166 4.286 4.120 -0.000 0.000 0.291 227 V C 0.207 176.231 176.094 -0.116 0.000 1.039 227 V CA -0.040 62.160 62.300 -0.167 0.000 1.055 227 V CB 1.348 33.190 31.823 0.032 0.000 0.969 227 V HN 0.618 nan 8.190 nan 0.000 0.482 228 V N 4.786 124.655 119.914 -0.076 0.000 2.349 228 V HA 0.289 4.409 4.120 -0.000 0.000 0.284 228 V C 0.725 176.839 176.094 0.033 0.000 1.014 228 V CA -0.374 61.912 62.300 -0.024 0.000 0.826 228 V CB 1.107 32.915 31.823 -0.024 0.000 1.009 228 V HN 0.948 nan 8.190 nan 0.000 0.431 229 E N 2.800 123.022 120.200 0.037 0.000 2.216 229 E HA 0.000 4.350 4.350 -0.000 0.000 0.192 229 E C 0.207 176.850 176.600 0.072 0.000 0.988 229 E CA 0.705 57.140 56.400 0.059 0.000 0.834 229 E CB 0.409 30.138 29.700 0.047 0.000 0.772 229 E HN 0.882 nan 8.360 nan 0.000 0.479 230 E N 0.114 120.353 120.200 0.064 0.000 2.311 230 E HA 0.147 4.497 4.350 -0.000 0.000 0.281 230 E C -1.202 175.451 176.600 0.088 0.000 0.905 230 E CA -0.728 55.726 56.400 0.090 0.000 0.778 230 E CB 0.716 30.454 29.700 0.063 0.000 1.240 230 E HN -0.095 nan 8.360 nan 0.000 0.410 231 F N 2.974 122.926 119.950 0.004 0.000 2.506 231 F HA 0.349 4.876 4.527 0.000 0.000 0.371 231 F C -0.536 175.261 175.800 -0.005 0.000 1.078 231 F CA 0.027 58.007 58.000 -0.033 0.000 1.195 231 F CB 0.446 39.430 39.000 -0.027 0.000 1.099 231 F HN 0.410 nan 8.300 nan 0.000 0.548 232 R N 7.782 127.761 120.500 -0.869 0.000 2.538 232 R HA 0.313 4.653 4.340 -0.000 0.000 0.292 232 R C -1.970 173.768 176.300 -0.937 0.000 1.008 232 R CA -1.639 53.978 56.100 -0.805 0.000 0.896 232 R CB 1.476 31.570 30.300 -0.343 0.000 1.187 232 R HN 0.329 nan 8.270 nan 0.000 0.440 233 P HA -0.171 nan 4.420 nan 0.000 0.214 233 P C 1.031 178.206 177.300 -0.209 0.000 1.163 233 P CA 1.117 63.950 63.100 -0.444 0.000 0.883 233 P CB 0.247 31.875 31.700 -0.121 0.000 0.788 234 V N 1.104 120.918 119.914 -0.167 0.000 2.343 234 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 234 V C 2.524 178.551 176.094 -0.111 0.000 1.051 234 V CA 2.434 64.670 62.300 -0.107 0.000 1.036 234 V CB -1.726 30.047 31.823 -0.082 0.000 0.654 234 V HN 0.143 nan 8.190 nan 0.000 0.451 235 D N 0.533 120.844 120.400 -0.148 0.000 2.123 235 D HA -0.173 4.467 4.640 -0.000 0.000 0.196 235 D C 2.086 178.322 176.300 -0.108 0.000 0.992 235 D CA 1.578 55.505 54.000 -0.123 0.000 0.833 235 D CB -0.171 40.548 40.800 -0.135 0.000 0.954 235 D HN 0.374 nan 8.370 nan 0.000 0.455 236 A N 0.062 122.798 122.820 -0.140 0.000 1.933 236 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 236 A C 2.422 179.989 177.584 -0.028 0.000 1.175 236 A CA 1.077 53.076 52.037 -0.064 0.000 0.628 236 A CB -0.780 18.221 19.000 0.000 0.000 0.814 236 A HN 0.397 nan 8.150 nan 0.000 0.444 237 L N -0.965 120.239 121.223 -0.031 0.000 2.109 237 L HA -0.215 4.125 4.340 -0.000 0.000 0.207 237 L C 2.847 179.706 176.870 -0.020 0.000 1.086 237 L CA 1.279 56.112 54.840 -0.012 0.000 0.760 237 L CB -0.594 41.459 42.059 -0.011 0.000 0.910 237 L HN 0.517 nan 8.230 nan 0.000 0.437 238 Q N -0.064 119.716 119.800 -0.033 0.000 2.124 238 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 238 Q C 2.357 178.340 176.000 -0.028 0.000 0.977 238 Q CA 1.253 57.037 55.803 -0.031 0.000 0.850 238 Q CB -0.122 28.593 28.738 -0.039 0.000 0.901 238 Q HN 0.523 nan 8.270 nan 0.000 0.429 239 L N -0.049 121.153 121.223 -0.034 0.000 2.017 239 L HA -0.195 4.145 4.340 -0.000 0.000 0.208 239 L C 2.405 179.260 176.870 -0.024 0.000 1.073 239 L CA 0.802 55.621 54.840 -0.034 0.000 0.745 239 L CB -0.639 41.393 42.059 -0.045 0.000 0.894 239 L HN 0.114 nan 8.230 nan 0.000 0.432 240 V N -0.132 119.773 119.914 -0.015 0.000 2.231 240 V HA -0.410 3.710 4.120 -0.000 0.000 0.250 240 V C 2.549 178.641 176.094 -0.003 0.000 1.058 240 V CA 2.322 64.620 62.300 -0.003 0.000 1.022 240 V CB -0.630 31.198 31.823 0.008 0.000 0.640 240 V HN 0.571 nan 8.190 nan 0.000 0.445 241 Q N -0.837 118.960 119.800 -0.006 0.000 2.050 241 Q HA -0.271 4.069 4.340 -0.000 0.000 0.202 241 Q C 2.421 178.417 176.000 -0.007 0.000 0.980 241 Q CA 2.134 57.934 55.803 -0.005 0.000 0.840 241 Q CB -0.111 28.623 28.738 -0.007 0.000 0.898 241 Q HN 0.710 nan 8.270 nan 0.000 0.424 242 Q N -0.511 119.281 119.800 -0.013 0.000 2.079 242 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 242 Q C 1.441 177.433 176.000 -0.014 0.000 0.974 242 Q CA 1.100 56.894 55.803 -0.015 0.000 0.840 242 Q CB 0.317 29.043 28.738 -0.021 0.000 0.898 242 Q HN 0.297 nan 8.270 nan 0.000 0.430 243 E N -0.026 120.164 120.200 -0.017 0.000 2.474 243 E HA -0.023 4.327 4.350 -0.000 0.000 0.194 243 E C -0.234 176.363 176.600 -0.005 0.000 1.041 243 E CA 0.179 56.568 56.400 -0.018 0.000 0.874 243 E CB 0.583 30.264 29.700 -0.032 0.000 0.914 243 E HN 0.245 nan 8.360 nan 0.000 0.498 244 Q N -0.258 119.543 119.800 0.002 0.000 2.464 244 Q HA -0.138 4.202 4.340 -0.000 0.000 0.304 244 Q C -0.484 175.526 176.000 0.017 0.000 1.401 244 Q CA 0.268 56.079 55.803 0.014 0.000 0.806 244 Q CB -2.601 26.151 28.738 0.024 0.000 1.134 244 Q HN 0.051 nan 8.270 nan 0.000 0.411 245 V N 1.389 121.309 119.914 0.010 0.000 2.529 245 V HA 0.029 4.149 4.120 -0.000 0.000 0.292 245 V C 1.969 178.082 176.094 0.031 0.000 1.028 245 V CA 1.362 63.669 62.300 0.013 0.000 1.074 245 V CB 1.178 33.004 31.823 0.005 0.000 0.958 245 V HN 0.676 nan 8.190 nan 0.000 0.481 246 T N 0.288 114.870 114.554 0.046 0.000 3.031 246 T HA 0.121 4.471 4.350 -0.000 0.000 0.254 246 T C 0.650 175.430 174.700 0.132 0.000 1.060 246 T CA 0.510 62.660 62.100 0.083 0.000 1.135 246 T CB 0.217 69.151 68.868 0.110 0.000 0.896 246 T HN 0.767 nan 8.240 nan 0.000 0.472 247 S N 1.166 116.935 115.700 0.115 0.000 2.546 247 S HA 0.725 5.195 4.470 -0.000 0.000 0.274 247 S C -1.340 173.318 174.600 0.097 0.000 1.121 247 S CA -1.185 57.101 58.200 0.143 0.000 0.887 247 S CB 2.100 65.387 63.200 0.146 0.000 1.094 247 S HN 0.744 nan 8.310 nan 0.000 0.474 248 L N -0.425 120.863 121.223 0.109 0.000 2.422 248 L HA 0.916 5.256 4.340 -0.000 0.000 0.264 248 L C -1.569 175.404 176.870 0.171 0.000 0.984 248 L CA -0.802 54.111 54.840 0.122 0.000 0.819 248 L CB 1.561 43.675 42.059 0.091 0.000 1.330 248 L HN 0.669 nan 8.230 nan 0.000 0.410 249 F N 2.771 122.758 119.950 0.062 0.000 2.449 249 F HA 0.922 5.449 4.527 -0.000 0.000 0.342 249 F C -0.134 175.714 175.800 0.079 0.000 1.127 249 F CA -0.450 57.598 58.000 0.080 0.000 0.975 249 F CB 1.533 40.566 39.000 0.055 0.000 1.146 249 F HN 1.026 nan 8.300 nan 0.000 0.444 250 A N 2.598 125.736 122.820 0.530 0.000 2.609 250 A HA 0.663 4.983 4.320 -0.000 0.000 0.291 250 A C -0.537 177.222 177.584 0.291 0.000 1.096 250 A CA -0.405 51.838 52.037 0.342 0.000 0.684 250 A CB 0.979 20.106 19.000 0.210 0.000 1.282 250 A HN 0.751 nan 8.150 nan 0.000 0.412 251 T N -0.841 113.792 114.554 0.133 0.000 2.868 251 T HA 0.442 4.792 4.350 -0.000 0.000 0.292 251 T C -1.857 172.816 174.700 -0.045 0.000 1.028 251 T CA -0.985 61.095 62.100 -0.032 0.000 1.059 251 T CB 0.642 69.338 68.868 -0.286 0.000 0.991 251 T HN 0.231 nan 8.240 nan 0.000 0.531 252 P HA -0.095 nan 4.420 nan 0.000 0.216 252 P C 1.584 178.818 177.300 -0.111 0.000 1.150 252 P CA 1.208 64.252 63.100 -0.093 0.000 0.843 252 P CB -0.201 31.470 31.700 -0.048 0.000 0.787 253 T N -2.088 112.377 114.554 -0.148 0.000 2.777 253 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 253 T C 1.475 176.094 174.700 -0.134 0.000 1.040 253 T CA 1.367 63.378 62.100 -0.148 0.000 1.141 253 T CB -1.070 67.683 68.868 -0.191 0.000 0.868 253 T HN 0.360 nan 8.240 nan 0.000 0.444 254 H N 0.586 119.504 119.070 -0.254 0.000 2.352 254 H HA 0.014 4.570 4.556 -0.000 0.000 0.299 254 H C 2.209 177.462 175.328 -0.124 0.000 1.097 254 H CA 1.030 56.819 56.048 -0.430 0.000 1.311 254 H CB -0.192 29.215 29.762 -0.592 0.000 1.377 254 H HN 0.197 nan 8.280 nan 0.000 0.504 255 L N 0.040 121.272 121.223 0.014 0.000 2.093 255 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 255 L C 2.231 179.095 176.870 -0.010 0.000 1.085 255 L CA 0.838 55.666 54.840 -0.019 0.000 0.755 255 L CB -0.221 41.744 42.059 -0.156 0.000 0.904 255 L HN 0.292 nan 8.230 nan 0.000 0.435 256 D N 0.363 120.752 120.400 -0.017 0.000 2.104 256 D HA -0.196 4.444 4.640 -0.000 0.000 0.194 256 D C 2.157 178.497 176.300 0.066 0.000 0.994 256 D CA 1.589 55.595 54.000 0.010 0.000 0.830 256 D CB 0.160 40.961 40.800 0.001 0.000 0.959 256 D HN 0.249 nan 8.370 nan 0.000 0.452 257 A N 0.061 122.956 122.820 0.125 0.000 1.877 257 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 257 A C 2.550 180.238 177.584 0.172 0.000 1.186 257 A CA 1.192 53.344 52.037 0.192 0.000 0.620 257 A CB -0.836 18.399 19.000 0.391 0.000 0.822 257 A HN 0.344 nan 8.150 nan 0.000 0.443 258 L N -0.792 120.554 121.223 0.205 0.000 2.056 258 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 258 L C 3.113 180.035 176.870 0.086 0.000 1.078 258 L CA 1.038 55.971 54.840 0.155 0.000 0.749 258 L CB -0.567 41.593 42.059 0.169 0.000 0.901 258 L HN 0.428 nan 8.230 nan 0.000 0.433 259 A N 0.064 122.931 122.820 0.077 0.000 1.908 259 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 259 A C 2.513 180.135 177.584 0.064 0.000 1.181 259 A CA 1.897 53.988 52.037 0.091 0.000 0.627 259 A CB -0.728 18.328 19.000 0.093 0.000 0.818 259 A HN 0.412 nan 8.150 nan 0.000 0.445 260 A N -0.272 122.575 122.820 0.045 0.000 1.873 260 A HA 0.219 4.539 4.320 -0.000 0.000 0.215 260 A C 2.519 180.081 177.584 -0.036 0.000 1.186 260 A CA 1.968 54.004 52.037 -0.002 0.000 0.616 260 A CB -1.042 17.971 19.000 0.021 0.000 0.823 260 A HN 1.061 nan 8.150 nan 0.000 0.442 261 A N -0.067 122.749 122.820 -0.005 0.000 1.902 261 A HA 0.141 4.461 4.320 -0.000 0.000 0.217 261 A C 2.475 180.036 177.584 -0.037 0.000 1.181 261 A CA 2.107 54.131 52.037 -0.021 0.000 0.623 261 A CB -0.970 18.022 19.000 -0.013 0.000 0.818 261 A HN 1.064 nan 8.150 nan 0.000 0.443 262 A N -0.332 122.474 122.820 -0.023 0.000 1.969 262 A HA 0.210 4.530 4.320 -0.000 0.000 0.218 262 A C 2.439 179.967 177.584 -0.094 0.000 1.169 262 A CA 1.883 53.903 52.037 -0.027 0.000 0.635 262 A CB -0.820 18.193 19.000 0.022 0.000 0.810 262 A HN 0.993 nan 8.150 nan 0.000 0.445 263 A N -1.114 121.579 122.820 -0.210 0.000 1.898 263 A HA 0.044 4.364 4.320 -0.000 0.000 0.216 263 A C 1.885 179.336 177.584 -0.221 0.000 1.181 263 A CA 1.784 53.564 52.037 -0.429 0.000 0.620 263 A CB -1.248 17.269 19.000 -0.805 0.000 0.819 263 A HN 1.132 nan 8.150 nan 0.000 0.442 264 H N -1.942 117.044 119.070 -0.140 0.000 2.770 264 H HA 0.678 5.234 4.556 -0.000 0.000 0.315 264 H C 1.035 176.326 175.328 -0.061 0.000 1.127 264 H CA 0.771 56.768 56.048 -0.084 0.000 1.155 264 H CB -0.472 29.253 29.762 -0.062 0.000 1.397 264 H HN 0.774 nan 8.280 nan 0.000 0.538 265 A N -1.303 121.480 122.820 -0.062 0.000 1.757 265 A HA 0.558 4.878 4.320 -0.000 0.000 0.205 265 A C 2.110 179.674 177.584 -0.033 0.000 1.791 265 A CA 0.941 52.954 52.037 -0.041 0.000 1.282 265 A CB -0.479 18.501 19.000 -0.034 0.000 1.297 265 A HN 1.908 nan 8.150 nan 0.000 0.422 266 G N 0.641 109.419 108.800 -0.038 0.000 2.614 266 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.303 266 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.303 266 G C 0.967 175.864 174.900 -0.006 0.000 1.270 266 G CA 1.516 46.605 45.100 -0.018 0.000 0.988 266 G HN 1.788 nan 8.290 nan 0.000 0.551 267 S N -0.173 115.526 115.700 -0.001 0.000 2.906 267 S HA 0.380 4.850 4.470 -0.000 0.000 0.234 267 S C 1.899 176.497 174.600 -0.004 0.000 0.973 267 S CA 1.265 59.466 58.200 0.001 0.000 1.036 267 S CB 0.581 63.783 63.200 0.004 0.000 0.798 267 S HN 1.162 nan 8.310 nan 0.000 0.498 268 S N 0.793 116.488 115.700 -0.008 0.000 2.357 268 S HA 0.193 4.663 4.470 -0.000 0.000 0.221 268 S C 0.536 175.130 174.600 -0.010 0.000 1.031 268 S CA 0.402 58.595 58.200 -0.011 0.000 0.982 268 S CB -0.361 62.830 63.200 -0.016 0.000 0.853 268 S HN 0.628 nan 8.310 nan 0.000 0.458 269 L N 1.787 123.005 121.223 -0.009 0.000 2.289 269 L HA 0.483 4.822 4.340 -0.000 0.000 0.285 269 L C 0.310 177.179 176.870 -0.001 0.000 1.049 269 L CA -0.548 54.288 54.840 -0.007 0.000 0.804 269 L CB 1.229 43.283 42.059 -0.009 0.000 1.195 269 L HN 0.046 nan 8.230 nan 0.000 0.428 270 K N 4.947 125.346 120.400 -0.001 0.000 2.262 270 K HA 0.423 4.743 4.320 -0.000 0.000 0.288 270 K C 0.235 176.837 176.600 0.005 0.000 1.090 270 K CA -0.036 56.252 56.287 0.002 0.000 0.918 270 K CB -0.386 32.115 32.500 0.001 0.000 1.139 270 K HN 0.717 nan 8.250 nan 0.000 0.462 271 L N 0.905 122.133 121.223 0.009 0.000 2.667 271 L HA 0.115 4.455 4.340 -0.000 0.000 0.232 271 L C 0.629 177.505 176.870 0.010 0.000 1.138 271 L CA -0.273 54.574 54.840 0.012 0.000 0.921 271 L CB 0.318 42.388 42.059 0.018 0.000 1.180 271 L HN 0.574 nan 8.230 nan 0.000 0.487 272 D N 0.315 120.720 120.400 0.008 0.000 2.178 272 D HA -0.194 4.446 4.640 -0.000 0.000 0.201 272 D C 2.339 178.639 176.300 -0.000 0.000 0.980 272 D CA 1.625 55.628 54.000 0.004 0.000 0.842 272 D CB -0.053 40.750 40.800 0.004 0.000 0.948 272 D HN 0.310 nan 8.370 nan 0.000 0.472 273 S N -0.144 115.560 115.700 0.005 0.000 2.469 273 S HA -0.137 4.333 4.470 -0.000 0.000 0.238 273 S C 0.859 175.463 174.600 0.006 0.000 0.998 273 S CA -0.081 58.125 58.200 0.010 0.000 0.957 273 S CB -0.391 62.819 63.200 0.018 0.000 0.764 273 S HN 0.216 nan 8.310 nan 0.000 0.514 274 L N 2.571 123.794 121.223 0.000 0.000 2.283 274 L HA 0.465 4.805 4.340 -0.000 0.000 0.287 274 L C 0.980 177.821 176.870 -0.049 0.000 1.073 274 L CA -0.192 54.647 54.840 -0.002 0.000 0.822 274 L CB 0.524 42.593 42.059 0.017 0.000 1.186 274 L HN -0.026 nan 8.230 nan 0.000 0.436 275 R N 3.132 123.558 120.500 -0.124 0.000 2.282 275 R HA 0.280 4.620 4.340 -0.000 0.000 0.195 275 R C -0.392 175.582 176.300 -0.544 0.000 0.909 275 R CA 0.147 56.036 56.100 -0.351 0.000 1.039 275 R CB 0.192 30.197 30.300 -0.492 0.000 1.015 275 R HN 0.632 nan 8.270 nan 0.000 0.513 276 H N -0.019 119.064 119.070 0.023 0.000 2.924 276 H HA 0.341 4.897 4.556 0.000 0.000 0.333 276 H C -0.957 174.377 175.328 0.009 0.000 0.979 276 H CA -0.609 55.442 56.048 0.005 0.000 1.326 276 H CB 2.394 32.146 29.762 -0.017 0.000 1.600 276 H HN -0.272 nan 8.280 nan 0.000 0.520 277 V N 4.162 124.145 119.914 0.116 0.000 2.350 277 V HA 0.254 4.374 4.120 -0.000 0.000 0.285 277 V C 0.129 176.274 176.094 0.085 0.000 1.014 277 V CA -0.413 61.961 62.300 0.123 0.000 0.831 277 V CB 1.573 33.482 31.823 0.144 0.000 1.000 277 V HN 0.761 nan 8.190 nan 0.000 0.433 278 T N 5.867 120.378 114.554 -0.071 0.000 2.888 278 T HA 0.876 5.226 4.350 -0.000 0.000 0.284 278 T C -0.698 173.799 174.700 -0.338 0.000 1.017 278 T CA -0.341 61.462 62.100 -0.494 0.000 1.022 278 T CB 1.417 69.681 68.868 -1.007 0.000 1.013 278 T HN 0.538 nan 8.240 nan 0.000 0.465 279 F N -1.204 118.557 119.950 -0.316 0.000 2.665 279 F HA 0.745 5.272 4.527 0.000 0.000 0.308 279 F C -0.598 175.280 175.800 0.131 0.000 1.112 279 F CA -1.852 56.152 58.000 0.007 0.000 0.972 279 F CB 0.852 39.869 39.000 0.029 0.000 1.295 279 F HN 0.616 nan 8.300 nan 0.000 0.440 280 A N 1.122 124.205 122.820 0.438 0.000 2.539 280 A HA 0.556 4.876 4.320 -0.000 0.000 0.306 280 A C 0.773 178.558 177.584 0.336 0.000 1.392 280 A CA 0.202 52.428 52.037 0.316 0.000 1.060 280 A CB -0.882 18.268 19.000 0.251 0.000 1.134 280 A HN 1.377 nan 8.150 nan 0.000 0.542 281 G N 1.134 110.168 108.800 0.390 0.000 3.605 281 G HA2 0.347 4.307 3.960 -0.000 0.000 0.277 281 G HA3 0.347 4.307 3.960 -0.000 0.000 0.277 281 G C 1.063 176.103 174.900 0.233 0.000 1.093 281 G CA 0.734 46.069 45.100 0.390 0.000 0.821 281 G HN 0.920 nan 8.290 nan 0.000 0.532 282 A N 0.930 123.873 122.820 0.205 0.000 1.908 282 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 282 A C 2.485 180.132 177.584 0.106 0.000 1.181 282 A CA 2.422 54.549 52.037 0.149 0.000 0.627 282 A CB -0.646 18.465 19.000 0.185 0.000 0.818 282 A HN 0.570 nan 8.150 nan 0.000 0.445 283 T N -3.283 111.336 114.554 0.108 0.000 3.144 283 T HA 0.351 4.701 4.350 -0.000 0.000 0.249 283 T C 0.579 175.314 174.700 0.058 0.000 1.089 283 T CA 0.205 62.349 62.100 0.075 0.000 0.989 283 T CB -0.452 68.457 68.868 0.069 0.000 0.992 283 T HN 0.388 nan 8.240 nan 0.000 0.540 284 M N 3.077 122.718 119.600 0.068 0.000 2.184 284 M HA 0.358 4.838 4.480 -0.000 0.000 0.351 284 M C -2.581 173.734 176.300 0.025 0.000 1.395 284 M CA -2.071 53.247 55.300 0.029 0.000 1.117 284 M CB 0.824 33.427 32.600 0.006 0.000 1.708 284 M HN -0.097 nan 8.290 nan 0.000 0.468 285 P HA 0.102 nan 4.420 nan 0.000 0.272 285 P C -0.291 177.019 177.300 0.017 0.000 1.223 285 P CA -0.205 62.907 63.100 0.020 0.000 0.784 285 P CB 0.526 32.237 31.700 0.019 0.000 0.923 286 D N 1.136 121.554 120.400 0.030 0.000 2.158 286 D HA -0.176 4.464 4.640 -0.000 0.000 0.197 286 D C 1.856 178.172 176.300 0.027 0.000 0.995 286 D CA 1.845 55.866 54.000 0.035 0.000 0.846 286 D CB -0.393 40.430 40.800 0.038 0.000 0.941 286 D HN 0.384 nan 8.370 nan 0.000 0.456 287 A N 0.420 123.253 122.820 0.022 0.000 1.902 287 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 287 A C 2.561 180.146 177.584 0.001 0.000 1.181 287 A CA 1.223 53.272 52.037 0.019 0.000 0.623 287 A CB -0.682 18.334 19.000 0.026 0.000 0.818 287 A HN 0.152 nan 8.150 nan 0.000 0.443 288 V N -0.176 119.728 119.914 -0.017 0.000 2.295 288 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 288 V C 2.485 178.517 176.094 -0.103 0.000 1.049 288 V CA 1.903 64.171 62.300 -0.054 0.000 1.024 288 V CB -0.880 30.898 31.823 -0.075 0.000 0.648 288 V HN 0.584 nan 8.190 nan 0.000 0.447 289 L N 0.686 121.850 121.223 -0.098 0.000 1.989 289 L HA -0.202 4.138 4.340 -0.000 0.000 0.211 289 L C 2.460 179.299 176.870 -0.051 0.000 1.071 289 L CA 2.549 57.314 54.840 -0.125 0.000 0.749 289 L CB -0.893 41.160 42.059 -0.011 0.000 0.890 289 L HN 0.430 nan 8.230 nan 0.000 0.431 290 E N -0.491 119.729 120.200 0.034 0.000 2.086 290 E HA -0.293 4.057 4.350 -0.000 0.000 0.205 290 E C 2.136 178.727 176.600 -0.015 0.000 1.027 290 E CA 2.742 59.174 56.400 0.054 0.000 0.830 290 E CB -0.640 29.077 29.700 0.028 0.000 0.751 290 E HN 0.730 nan 8.360 nan 0.000 0.456 291 T N -2.169 112.358 114.554 -0.044 0.000 2.821 291 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 291 T C 2.048 176.699 174.700 -0.081 0.000 1.046 291 T CA 1.235 63.296 62.100 -0.065 0.000 1.139 291 T CB -0.767 68.149 68.868 0.081 0.000 0.871 291 T HN 0.038 nan 8.240 nan 0.000 0.454 292 V N 1.926 121.767 119.914 -0.121 0.000 2.282 292 V HA -0.247 3.873 4.120 -0.000 0.000 0.249 292 V C 2.868 178.877 176.094 -0.143 0.000 1.057 292 V CA 2.053 64.247 62.300 -0.177 0.000 1.032 292 V CB -0.797 30.814 31.823 -0.353 0.000 0.645 292 V HN 0.632 nan 8.190 nan 0.000 0.447 293 H N -0.736 118.305 119.070 -0.048 0.000 2.357 293 H HA -0.080 4.476 4.556 -0.000 0.000 0.301 293 H C 2.501 177.780 175.328 -0.082 0.000 1.082 293 H CA 1.451 57.478 56.048 -0.035 0.000 1.342 293 H CB -0.113 29.633 29.762 -0.026 0.000 1.389 293 H HN 0.440 nan 8.280 nan 0.000 0.511 294 Q N 0.179 119.935 119.800 -0.073 0.000 2.079 294 Q HA -0.103 4.237 4.340 -0.000 0.000 0.200 294 Q C 1.547 177.432 176.000 -0.193 0.000 0.974 294 Q CA 1.201 56.844 55.803 -0.268 0.000 0.840 294 Q CB 0.080 28.433 28.738 -0.642 0.000 0.898 294 Q HN 0.674 nan 8.270 nan 0.000 0.430 295 H N -1.744 117.347 119.070 0.035 0.000 2.874 295 H HA 0.338 4.894 4.556 -0.000 0.000 0.264 295 H C 0.254 175.592 175.328 0.018 0.000 1.007 295 H CA -0.014 56.047 56.048 0.022 0.000 1.207 295 H CB 0.938 30.708 29.762 0.014 0.000 1.487 295 H HN 0.040 nan 8.280 nan 0.000 0.505 296 L N 2.578 123.866 121.223 0.109 0.000 2.342 296 L HA 0.380 4.720 4.340 -0.000 0.000 0.271 296 L C -2.086 174.819 176.870 0.059 0.000 1.008 296 L CA -1.866 53.017 54.840 0.072 0.000 0.818 296 L CB 2.511 44.597 42.059 0.046 0.000 1.296 296 L HN -0.029 nan 8.230 nan 0.000 0.427 297 P HA 0.442 nan 4.420 nan 0.000 0.321 297 P C -0.316 177.002 177.300 0.030 0.000 1.304 297 P CA -0.150 62.972 63.100 0.037 0.000 0.759 297 P CB 0.811 32.526 31.700 0.024 0.000 1.385 298 G N -0.894 107.910 108.800 0.005 0.000 2.755 298 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.686 298 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.686 298 G C -0.466 174.439 174.900 0.009 0.000 1.427 298 G CA -0.402 44.681 45.100 -0.029 0.000 0.873 298 G HN 0.806 nan 8.290 nan 0.000 0.580 299 E N 0.601 120.790 120.200 -0.018 0.000 2.376 299 E HA 0.243 4.593 4.350 -0.000 0.000 0.266 299 E C 0.173 176.828 176.600 0.092 0.000 1.009 299 E CA -0.295 56.136 56.400 0.051 0.000 0.902 299 E CB 0.306 30.041 29.700 0.059 0.000 0.972 299 E HN 0.296 nan 8.360 nan 0.000 0.439 300 K N 3.294 123.773 120.400 0.132 0.000 2.201 300 K HA 0.349 4.669 4.320 -0.000 0.000 0.278 300 K C -0.828 175.797 176.600 0.042 0.000 1.027 300 K CA -0.714 55.666 56.287 0.156 0.000 0.909 300 K CB 1.720 34.363 32.500 0.238 0.000 1.062 300 K HN 0.242 nan 8.250 nan 0.000 0.465 301 V N 2.765 122.580 119.914 -0.166 0.000 2.525 301 V HA 0.182 4.302 4.120 -0.000 0.000 0.299 301 V C -0.293 175.345 176.094 -0.760 0.000 1.034 301 V CA -1.088 61.050 62.300 -0.269 0.000 0.863 301 V CB 1.844 33.603 31.823 -0.105 0.000 0.999 301 V HN 0.665 nan 8.190 nan 0.000 0.423 302 N N 3.247 121.591 118.700 -0.594 0.000 2.499 302 N HA 0.703 5.443 4.740 -0.000 0.000 0.281 302 N C -0.475 174.925 175.510 -0.183 0.000 1.098 302 N CA 0.025 52.706 53.050 -0.614 0.000 0.979 302 N CB 1.699 40.066 38.487 -0.200 0.000 1.121 302 N HN 0.935 nan 8.380 nan 0.000 0.466 303 A N 3.107 125.873 122.820 -0.089 0.000 2.398 303 A HA 0.428 4.748 4.320 -0.000 0.000 0.301 303 A C -1.802 175.910 177.584 0.214 0.000 1.041 303 A CA -0.627 51.488 52.037 0.131 0.000 0.711 303 A CB 0.613 19.716 19.000 0.172 0.000 1.240 303 A HN 0.703 nan 8.150 nan 0.000 0.420 304 Y N 1.762 122.119 120.300 0.095 0.000 2.341 304 Y HA 0.661 5.211 4.550 -0.000 0.000 0.337 304 Y C 0.348 176.271 175.900 0.038 0.000 1.014 304 Y CA 0.351 58.494 58.100 0.073 0.000 1.111 304 Y CB 1.576 40.066 38.460 0.050 0.000 1.194 304 Y HN 1.057 nan 8.280 nan 0.000 0.462 305 G N 2.230 110.633 108.800 -0.661 0.000 2.600 305 G HA2 0.526 4.486 3.960 -0.000 0.000 0.293 305 G HA3 0.526 4.486 3.960 -0.000 0.000 0.293 305 G C -1.549 173.014 174.900 -0.562 0.000 1.408 305 G CA -0.601 44.145 45.100 -0.591 0.000 0.782 305 G HN 0.790 nan 8.290 nan 0.000 0.482 306 T N -3.257 111.064 114.554 -0.388 0.000 2.906 306 T HA 0.545 4.895 4.350 -0.000 0.000 0.295 306 T C 1.110 175.606 174.700 -0.341 0.000 1.061 306 T CA 0.245 62.163 62.100 -0.304 0.000 1.000 306 T CB 1.554 70.288 68.868 -0.223 0.000 1.103 306 T HN 0.374 nan 8.240 nan 0.000 0.486 307 T N 1.427 115.785 114.554 -0.327 0.000 2.685 307 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 307 T C 1.600 176.032 174.700 -0.447 0.000 1.034 307 T CA 2.269 64.148 62.100 -0.367 0.000 1.149 307 T CB -0.392 68.315 68.868 -0.269 0.000 0.860 307 T HN 0.792 nan 8.240 nan 0.000 0.449 308 E N 0.595 120.409 120.200 -0.644 0.000 2.107 308 E HA 0.155 4.505 4.350 -0.000 0.000 0.191 308 E C 1.840 178.057 176.600 -0.638 0.000 0.982 308 E CA 1.067 56.858 56.400 -1.013 0.000 0.809 308 E CB -0.027 28.534 29.700 -1.898 0.000 0.756 308 E HN 0.487 nan 8.360 nan 0.000 0.459 309 A N -1.168 121.318 122.820 -0.557 0.000 2.585 309 A HA 0.480 4.800 4.320 -0.000 0.000 0.266 309 A C 0.640 178.040 177.584 -0.307 0.000 1.178 309 A CA 0.116 51.952 52.037 -0.335 0.000 0.966 309 A CB -0.030 18.845 19.000 -0.209 0.000 1.170 309 A HN 0.130 nan 8.150 nan 0.000 0.558 310 M N -0.791 118.592 119.600 -0.362 0.000 7.319 310 M HA -0.288 4.192 4.480 -0.000 0.000 0.235 310 M C -0.054 175.989 176.300 -0.429 0.000 0.480 310 M CA 1.825 56.881 55.300 -0.407 0.000 1.311 310 M CB -0.969 31.362 32.600 -0.449 0.000 0.421 310 M HN 0.577 nan 8.290 nan 0.000 0.637 311 N N 0.088 118.411 118.700 -0.628 0.000 2.470 311 N HA 0.445 5.185 4.740 -0.000 0.000 0.268 311 N C -0.320 175.075 175.510 -0.192 0.000 1.136 311 N CA 0.903 53.618 53.050 -0.559 0.000 0.961 311 N CB 0.833 38.663 38.487 -1.095 0.000 1.067 311 N HN 0.480 nan 8.380 nan 0.000 0.468 312 S N 2.010 117.711 115.700 0.002 0.000 2.589 312 S HA 0.383 4.853 4.470 -0.000 0.000 0.235 312 S C -0.408 174.341 174.600 0.248 0.000 1.051 312 S CA -0.231 58.068 58.200 0.165 0.000 0.978 312 S CB 0.267 63.629 63.200 0.269 0.000 0.929 312 S HN 0.490 nan 8.310 nan 0.000 0.523 313 L N 0.780 122.183 121.223 0.300 0.000 2.671 313 L HA 0.638 4.978 4.340 -0.000 0.000 0.259 313 L C -1.280 175.823 176.870 0.387 0.000 1.021 313 L CA -1.262 53.763 54.840 0.307 0.000 0.871 313 L CB 1.872 44.033 42.059 0.170 0.000 1.472 313 L HN 0.279 nan 8.230 nan 0.000 0.410 314 Y N 0.739 121.095 120.300 0.094 0.000 2.750 314 Y HA 0.873 5.423 4.550 0.000 0.000 0.335 314 Y C -1.628 174.296 175.900 0.039 0.000 1.252 314 Y CA -1.771 56.368 58.100 0.065 0.000 1.064 314 Y CB 1.762 40.273 38.460 0.084 0.000 1.321 314 Y HN 0.587 nan 8.280 nan 0.000 0.451 315 M N 2.371 121.818 119.600 -0.255 0.000 2.274 315 M HA 0.466 4.946 4.480 -0.000 0.000 0.272 315 M C -1.947 174.254 176.300 -0.165 0.000 1.053 315 M CA -0.563 54.538 55.300 -0.332 0.000 0.978 315 M CB 1.962 34.477 32.600 -0.141 0.000 1.836 315 M HN 0.715 nan 8.290 nan 0.000 0.484 316 R N 3.577 123.984 120.500 -0.155 0.000 2.491 316 R HA 0.309 4.649 4.340 -0.000 0.000 0.283 316 R C -0.302 176.011 176.300 0.022 0.000 1.072 316 R CA -0.360 55.737 56.100 -0.004 0.000 1.048 316 R CB 0.418 30.741 30.300 0.039 0.000 0.983 316 R HN 0.717 nan 8.270 nan 0.000 0.450 317 Q N 0.092 119.945 119.800 0.089 0.000 2.443 317 Q HA -0.129 4.211 4.340 -0.000 0.000 0.337 317 Q C -2.125 173.964 176.000 0.149 0.000 1.401 317 Q CA 0.550 56.446 55.803 0.155 0.000 0.943 317 Q CB -1.542 27.240 28.738 0.073 0.000 1.177 317 Q HN 0.569 nan 8.270 nan 0.000 0.394 318 P HA 0.051 nan 4.420 nan 0.000 0.271 318 P C 0.513 177.953 177.300 0.234 0.000 1.218 318 P CA 0.034 63.241 63.100 0.178 0.000 0.780 318 P CB 0.906 32.718 31.700 0.188 0.000 0.901 319 K N 0.362 120.832 120.400 0.116 0.000 2.161 319 K HA 0.069 4.389 4.320 -0.000 0.000 0.205 319 K C 1.073 177.731 176.600 0.097 0.000 1.035 319 K CA 0.986 57.321 56.287 0.080 0.000 0.970 319 K CB -0.303 32.210 32.500 0.022 0.000 0.866 319 K HN 0.618 nan 8.250 nan 0.000 0.461 320 T N -2.483 112.117 114.554 0.076 0.000 2.943 320 T HA 0.359 4.709 4.350 -0.000 0.000 0.284 320 T C 1.040 175.797 174.700 0.095 0.000 1.015 320 T CA -0.710 61.433 62.100 0.071 0.000 1.042 320 T CB 1.845 70.737 68.868 0.041 0.000 1.055 320 T HN 0.188 nan 8.240 nan 0.000 0.500 321 G N -0.188 108.672 108.800 0.100 0.000 2.880 321 G HA2 0.093 4.053 3.960 -0.000 0.000 0.209 321 G HA3 0.093 4.053 3.960 -0.000 0.000 0.209 321 G C 1.222 176.177 174.900 0.093 0.000 1.157 321 G CA 0.570 45.751 45.100 0.135 0.000 0.779 321 G HN 0.943 nan 8.290 nan 0.000 0.539 322 T N -2.198 112.383 114.554 0.045 0.000 3.044 322 T HA 0.242 4.592 4.350 -0.000 0.000 0.250 322 T C 0.517 175.192 174.700 -0.041 0.000 1.081 322 T CA -0.125 61.975 62.100 0.000 0.000 1.040 322 T CB 0.334 69.189 68.868 -0.021 0.000 0.962 322 T HN 0.272 nan 8.240 nan 0.000 0.506 323 E N 1.185 121.371 120.200 -0.023 0.000 2.092 323 E HA 0.651 5.001 4.350 -0.000 0.000 0.271 323 E C -0.910 175.662 176.600 -0.048 0.000 0.919 323 E CA -0.251 56.121 56.400 -0.047 0.000 0.760 323 E CB 1.460 31.146 29.700 -0.023 0.000 1.106 323 E HN 0.390 nan 8.360 nan 0.000 0.408 324 M N 1.375 120.926 119.600 -0.081 0.000 2.664 324 M HA 0.708 5.188 4.480 -0.000 0.000 0.279 324 M C -1.317 174.944 176.300 -0.065 0.000 1.275 324 M CA -0.833 54.426 55.300 -0.069 0.000 0.829 324 M CB 2.464 35.051 32.600 -0.022 0.000 1.727 324 M HN 0.531 nan 8.290 nan 0.000 0.459 325 A N 1.200 124.002 122.820 -0.031 0.000 2.454 325 A HA 0.970 5.290 4.320 -0.000 0.000 0.302 325 A C -2.873 174.822 177.584 0.184 0.000 1.079 325 A CA -1.631 50.443 52.037 0.062 0.000 0.731 325 A CB 1.293 20.327 19.000 0.057 0.000 1.299 325 A HN 0.406 nan 8.150 nan 0.000 0.413 326 P HA 0.308 nan 4.420 nan 0.000 0.271 326 P C 0.334 177.844 177.300 0.350 0.000 1.216 326 P CA 0.495 63.757 63.100 0.271 0.000 0.771 326 P CB 1.147 32.987 31.700 0.234 0.000 0.864 327 G N 2.146 111.150 108.800 0.340 0.000 2.857 327 G HA2 0.392 4.352 3.960 -0.000 0.000 0.217 327 G HA3 0.392 4.352 3.960 -0.000 0.000 0.217 327 G C -0.970 174.018 174.900 0.146 0.000 1.357 327 G CA -0.757 44.489 45.100 0.244 0.000 1.033 327 G HN 0.375 nan 8.290 nan 0.000 0.571 328 F N -0.647 119.250 119.950 -0.088 0.000 2.553 328 F HA 0.336 4.863 4.527 0.000 0.000 0.356 328 F C 0.940 176.619 175.800 -0.202 0.000 1.142 328 F CA 0.779 58.621 58.000 -0.263 0.000 1.322 328 F CB 0.112 38.813 39.000 -0.500 0.000 1.126 328 F HN 0.433 nan 8.300 nan 0.000 0.599 329 F N -0.070 119.630 119.950 -0.417 0.000 2.558 329 F HA -0.306 4.221 4.527 -0.000 0.000 0.554 329 F C 0.798 176.502 175.800 -0.159 0.000 0.517 329 F CA 0.728 58.576 58.000 -0.254 0.000 1.084 329 F CB -2.052 36.917 39.000 -0.050 0.000 1.821 329 F HN 0.322 nan 8.300 nan 0.000 0.262 330 S N 0.552 116.288 115.700 0.061 0.000 2.541 330 S HA 0.553 5.023 4.470 -0.000 0.000 0.283 330 S C -0.221 174.417 174.600 0.063 0.000 1.196 330 S CA -0.648 57.602 58.200 0.083 0.000 1.062 330 S CB 2.470 65.750 63.200 0.133 0.000 1.009 330 S HN 0.307 nan 8.310 nan 0.000 0.502 331 E N 1.502 121.751 120.200 0.082 0.000 2.275 331 E HA 0.584 4.934 4.350 -0.000 0.000 0.270 331 E C -1.516 175.249 176.600 0.275 0.000 0.882 331 E CA -0.774 55.706 56.400 0.134 0.000 0.758 331 E CB 1.564 31.284 29.700 0.033 0.000 1.195 331 E HN 0.523 nan 8.360 nan 0.000 0.419 332 V N 1.017 121.150 119.914 0.365 0.000 3.007 332 V HA 0.787 4.907 4.120 -0.000 0.000 0.311 332 V C -0.957 175.379 176.094 0.403 0.000 1.120 332 V CA -0.821 61.717 62.300 0.397 0.000 0.980 332 V CB 2.066 34.042 31.823 0.255 0.000 1.033 332 V HN 0.745 nan 8.190 nan 0.000 0.429 333 R N 2.311 122.970 120.500 0.266 0.000 2.774 333 R HA 0.758 5.098 4.340 -0.000 0.000 0.272 333 R C -1.548 174.792 176.300 0.066 0.000 1.000 333 R CA -0.854 55.338 56.100 0.152 0.000 0.906 333 R CB 2.614 32.825 30.300 -0.148 0.000 1.227 333 R HN 0.823 nan 8.270 nan 0.000 0.468 334 I N 2.800 123.436 120.570 0.111 0.000 2.418 334 I HA 0.382 4.552 4.170 -0.000 0.000 0.287 334 I C -0.228 175.894 176.117 0.008 0.000 1.008 334 I CA -0.935 60.372 61.300 0.013 0.000 1.104 334 I CB 1.770 39.751 38.000 -0.031 0.000 1.264 334 I HN 0.317 nan 8.210 nan 0.000 0.438 335 V N 2.808 122.694 119.914 -0.048 0.000 3.074 335 V HA 0.585 4.705 4.120 -0.000 0.000 0.314 335 V C 0.040 176.110 176.094 -0.040 0.000 1.117 335 V CA -1.213 61.049 62.300 -0.062 0.000 1.014 335 V CB 1.812 33.557 31.823 -0.129 0.000 1.057 335 V HN 0.823 nan 8.190 nan 0.000 0.438 336 R N 1.195 121.674 120.500 -0.035 0.000 2.538 336 R HA 0.262 4.602 4.340 -0.000 0.000 0.282 336 R C -0.157 176.130 176.300 -0.022 0.000 1.009 336 R CA -0.154 55.934 56.100 -0.020 0.000 1.063 336 R CB 0.048 30.336 30.300 -0.019 0.000 0.945 336 R HN 0.770 nan 8.270 nan 0.000 0.414 337 I N 4.240 124.805 120.570 -0.009 0.000 2.742 337 I HA -0.099 4.071 4.170 -0.000 0.000 0.287 337 I C 1.374 177.486 176.117 -0.008 0.000 1.186 337 I CA 1.562 62.859 61.300 -0.006 0.000 1.417 337 I CB 0.497 38.501 38.000 0.007 0.000 1.377 337 I HN 1.046 nan 8.210 nan 0.000 0.556 338 G N 4.256 113.049 108.800 -0.010 0.000 2.221 338 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.265 338 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.265 338 G C 0.271 175.164 174.900 -0.012 0.000 1.041 338 G CA 0.110 45.206 45.100 -0.007 0.000 0.807 338 G HN 1.066 nan 8.290 nan 0.000 0.502 339 G N -1.337 107.449 108.800 -0.023 0.000 2.788 339 G HA2 0.856 4.816 3.960 -0.000 0.000 0.293 339 G HA3 0.856 4.816 3.960 -0.000 0.000 0.293 339 G C 0.586 175.461 174.900 -0.041 0.000 1.305 339 G CA 0.020 45.104 45.100 -0.028 0.000 1.005 339 G HN 1.164 nan 8.290 nan 0.000 0.496 340 G N -1.546 107.229 108.800 -0.043 0.000 2.594 340 G HA2 0.424 4.384 3.960 -0.000 0.000 0.243 340 G HA3 0.424 4.384 3.960 -0.000 0.000 0.243 340 G C 1.362 176.195 174.900 -0.111 0.000 1.229 340 G CA 0.358 45.425 45.100 -0.054 0.000 0.843 340 G HN 1.352 nan 8.290 nan 0.000 0.578 341 V N -1.601 118.225 119.914 -0.148 0.000 2.867 341 V HA -0.063 4.057 4.120 -0.000 0.000 0.260 341 V C 1.354 177.206 176.094 -0.403 0.000 1.099 341 V CA 2.080 64.172 62.300 -0.346 0.000 1.122 341 V CB -0.299 31.250 31.823 -0.457 0.000 0.708 341 V HN 0.492 nan 8.190 nan 0.000 0.490 342 D N 0.346 120.620 120.400 -0.209 0.000 2.350 342 D HA 0.056 4.696 4.640 -0.000 0.000 0.213 342 D C 1.023 177.256 176.300 -0.112 0.000 1.031 342 D CA 0.332 54.242 54.000 -0.150 0.000 0.861 342 D CB 0.025 40.786 40.800 -0.065 0.000 0.926 342 D HN 0.642 nan 8.370 nan 0.000 0.520 343 E N 1.136 121.272 120.200 -0.106 0.000 2.467 343 E HA 0.085 4.435 4.350 -0.000 0.000 0.321 343 E C 0.117 176.677 176.600 -0.068 0.000 1.388 343 E CA -0.160 56.198 56.400 -0.071 0.000 1.508 343 E CB -0.169 29.497 29.700 -0.056 0.000 1.250 343 E HN 0.264 nan 8.360 nan 0.000 0.500 344 I N 2.022 122.552 120.570 -0.065 0.000 2.683 344 I HA -0.105 4.065 4.170 -0.000 0.000 0.286 344 I C 0.885 177.001 176.117 -0.002 0.000 1.175 344 I CA -0.115 61.165 61.300 -0.033 0.000 1.429 344 I CB 0.252 38.236 38.000 -0.027 0.000 1.371 344 I HN 0.086 nan 8.210 nan 0.000 0.569 345 V N 4.104 124.035 119.914 0.029 0.000 3.185 345 V HA 0.519 4.639 4.120 -0.000 0.000 0.305 345 V C 0.709 176.833 176.094 0.050 0.000 1.090 345 V CA -1.034 61.290 62.300 0.040 0.000 1.107 345 V CB 0.945 32.802 31.823 0.057 0.000 1.061 345 V HN 0.820 nan 8.190 nan 0.000 0.480 346 A N 2.539 125.381 122.820 0.037 0.000 2.488 346 A HA 0.310 4.630 4.320 -0.000 0.000 0.249 346 A C 0.486 178.108 177.584 0.063 0.000 1.083 346 A CA -0.357 51.698 52.037 0.031 0.000 0.768 346 A CB -0.785 18.227 19.000 0.019 0.000 1.017 346 A HN 0.951 nan 8.150 nan 0.000 0.496 347 N N 1.258 119.988 118.700 0.051 0.000 2.315 347 N HA 0.267 5.007 4.740 -0.000 0.000 0.270 347 N C 1.237 176.803 175.510 0.093 0.000 1.329 347 N CA 1.728 54.835 53.050 0.095 0.000 0.860 347 N CB 0.627 39.121 38.487 0.012 0.000 1.095 347 N HN 1.130 nan 8.380 nan 0.000 0.487 348 G N 1.677 110.553 108.800 0.126 0.000 2.339 348 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.209 348 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.209 348 G C -0.132 174.811 174.900 0.072 0.000 1.015 348 G CA -0.477 44.674 45.100 0.086 0.000 0.635 348 G HN 0.508 nan 8.290 nan 0.000 0.499 349 E N 1.867 122.109 120.200 0.070 0.000 2.343 349 E HA 0.369 4.719 4.350 -0.000 0.000 0.269 349 E C 0.116 176.750 176.600 0.057 0.000 1.047 349 E CA -0.180 56.253 56.400 0.055 0.000 0.874 349 E CB 0.973 30.698 29.700 0.042 0.000 1.033 349 E HN 0.643 nan 8.360 nan 0.000 0.409 350 E N 0.512 120.743 120.200 0.051 0.000 2.349 350 E HA 0.551 4.901 4.350 -0.000 0.000 0.265 350 E C 0.158 176.776 176.600 0.031 0.000 1.064 350 E CA -0.533 55.894 56.400 0.044 0.000 0.886 350 E CB 1.291 31.044 29.700 0.090 0.000 1.036 350 E HN 0.605 nan 8.360 nan 0.000 0.413 351 G N 0.746 109.550 108.800 0.007 0.000 2.548 351 G HA2 0.164 4.124 3.960 -0.000 0.000 0.301 351 G HA3 0.164 4.124 3.960 -0.000 0.000 0.301 351 G C -1.541 173.344 174.900 -0.026 0.000 1.349 351 G CA -0.777 44.321 45.100 -0.003 0.000 0.792 351 G HN 0.493 nan 8.290 nan 0.000 0.481 352 E N -0.254 119.926 120.200 -0.032 0.000 2.259 352 E HA 0.402 4.752 4.350 -0.000 0.000 0.281 352 E C -0.667 175.896 176.600 -0.063 0.000 1.027 352 E CA -0.686 55.689 56.400 -0.042 0.000 0.838 352 E CB 1.233 30.911 29.700 -0.037 0.000 1.066 352 E HN 0.364 nan 8.360 nan 0.000 0.401 353 L N 7.118 128.299 121.223 -0.069 0.000 2.361 353 L HA 0.264 4.604 4.340 -0.000 0.000 0.278 353 L C -0.550 176.321 176.870 0.002 0.000 1.113 353 L CA 0.244 55.046 54.840 -0.063 0.000 0.849 353 L CB 0.256 42.249 42.059 -0.110 0.000 1.155 353 L HN 0.461 nan 8.230 nan 0.000 0.452 354 I N 4.391 124.983 120.570 0.037 0.000 2.530 354 I HA 0.802 4.972 4.170 -0.000 0.000 0.297 354 I C -0.629 175.693 176.117 0.341 0.000 1.011 354 I CA -0.968 60.412 61.300 0.134 0.000 1.107 354 I CB 2.047 40.076 38.000 0.048 0.000 1.285 354 I HN 0.439 nan 8.210 nan 0.000 0.436 355 V N 2.214 122.399 119.914 0.452 0.000 2.914 355 V HA 0.927 5.047 4.120 -0.000 0.000 0.314 355 V C 0.362 176.680 176.094 0.373 0.000 1.084 355 V CA -0.595 61.970 62.300 0.442 0.000 0.963 355 V CB 1.331 33.346 31.823 0.319 0.000 1.025 355 V HN 1.135 nan 8.190 nan 0.000 0.432 356 A N 2.680 125.511 122.820 0.018 0.000 2.462 356 A HA 0.719 5.039 4.320 -0.000 0.000 0.243 356 A C 0.682 178.166 177.584 -0.166 0.000 1.076 356 A CA 0.153 51.912 52.037 -0.463 0.000 0.773 356 A CB 0.305 18.904 19.000 -0.668 0.000 1.010 356 A HN 2.318 nan 8.150 nan 0.000 0.493 357 A N 2.841 125.549 122.820 -0.186 0.000 2.774 357 A HA 0.558 4.878 4.320 -0.000 0.000 0.326 357 A C 0.822 178.327 177.584 -0.132 0.000 1.478 357 A CA 0.177 52.169 52.037 -0.075 0.000 1.099 357 A CB -0.729 18.267 19.000 -0.006 0.000 1.148 357 A HN 1.449 nan 8.150 nan 0.000 0.519 358 S N 0.819 116.447 115.700 -0.121 0.000 3.124 358 S HA 0.357 4.827 4.470 -0.000 0.000 0.234 358 S C 0.651 175.187 174.600 -0.107 0.000 1.045 358 S CA 0.072 58.202 58.200 -0.115 0.000 1.200 358 S CB 0.013 63.150 63.200 -0.106 0.000 1.186 358 S HN 0.323 nan 8.310 nan 0.000 0.617 359 D N 1.923 122.263 120.400 -0.100 0.000 2.158 359 D HA -0.081 4.559 4.640 -0.000 0.000 0.197 359 D C 2.152 178.355 176.300 -0.162 0.000 0.995 359 D CA 1.936 55.867 54.000 -0.114 0.000 0.846 359 D CB -0.520 40.217 40.800 -0.104 0.000 0.941 359 D HN 0.574 nan 8.370 nan 0.000 0.456 360 S N -0.439 115.137 115.700 -0.207 0.000 2.522 360 S HA 0.215 4.685 4.470 -0.000 0.000 0.227 360 S C 0.992 175.464 174.600 -0.213 0.000 0.986 360 S CA 0.095 58.135 58.200 -0.268 0.000 0.929 360 S CB -0.022 62.980 63.200 -0.331 0.000 0.769 360 S HN 0.207 nan 8.310 nan 0.000 0.529 361 A N 2.122 124.857 122.820 -0.141 0.000 2.445 361 A HA 0.502 4.822 4.320 -0.000 0.000 0.242 361 A C 0.262 177.837 177.584 -0.016 0.000 1.075 361 A CA -0.788 51.207 52.037 -0.071 0.000 0.777 361 A CB -0.451 18.519 19.000 -0.050 0.000 1.013 361 A HN 0.724 nan 8.150 nan 0.000 0.493 362 F N 1.408 121.204 119.950 -0.257 0.000 2.535 362 F HA 0.387 4.915 4.527 0.002 0.000 0.332 362 F C 0.993 176.681 175.800 -0.188 0.000 1.208 362 F CA -0.314 57.554 58.000 -0.219 0.000 1.330 362 F CB 0.601 39.432 39.000 -0.282 0.000 1.167 362 F HN 0.355 nan 8.300 nan 0.000 0.597 363 V N -0.663 119.003 119.914 -0.413 0.000 3.376 363 V HA 0.726 4.846 4.120 -0.000 0.000 0.313 363 V C 0.391 176.116 176.094 -0.615 0.000 1.393 363 V CA 0.193 62.205 62.300 -0.480 0.000 1.125 363 V CB -0.771 30.918 31.823 -0.223 0.000 1.037 363 V HN 1.570 nan 8.190 nan 0.000 0.440 364 G N -0.751 107.472 108.800 -0.961 0.000 2.326 364 G HA2 0.207 4.167 3.960 -0.000 0.000 0.413 364 G HA3 0.207 4.167 3.960 -0.000 0.000 0.413 364 G C -1.521 173.268 174.900 -0.185 0.000 1.444 364 G CA -0.897 43.824 45.100 -0.632 0.000 1.002 364 G HN 0.130 nan 8.290 nan 0.000 0.649 365 Y N 0.009 120.420 120.300 0.185 0.000 2.336 365 Y HA 0.505 5.055 4.550 0.000 0.000 0.335 365 Y C 0.993 176.931 175.900 0.063 0.000 1.046 365 Y CA -0.831 57.370 58.100 0.168 0.000 1.198 365 Y CB 1.505 40.069 38.460 0.174 0.000 1.182 365 Y HN 0.592 nan 8.280 nan 0.000 0.502 366 L N 5.173 126.503 121.223 0.178 0.000 2.615 366 L HA -0.028 4.312 4.340 -0.000 0.000 0.271 366 L C 0.538 177.467 176.870 0.099 0.000 1.183 366 L CA 0.506 55.402 54.840 0.092 0.000 0.933 366 L CB -0.864 41.225 42.059 0.049 0.000 1.199 366 L HN 0.884 nan 8.230 nan 0.000 0.487 367 N N 2.682 121.427 118.700 0.075 0.000 2.708 367 N HA -0.246 4.494 4.740 -0.000 0.000 0.251 367 N C -0.657 174.899 175.510 0.076 0.000 1.123 367 N CA 0.925 54.013 53.050 0.063 0.000 0.739 367 N CB -0.727 37.790 38.487 0.050 0.000 1.113 367 N HN 0.784 nan 8.380 nan 0.000 0.561 368 Q N -1.227 118.642 119.800 0.115 0.000 3.075 368 Q HA 0.175 4.515 4.340 -0.000 0.000 0.318 368 Q C -2.162 173.931 176.000 0.155 0.000 0.907 368 Q CA -1.441 54.434 55.803 0.120 0.000 0.882 368 Q CB 1.288 30.090 28.738 0.107 0.000 1.386 368 Q HN 0.159 nan 8.270 nan 0.000 0.408 369 P HA -0.202 nan 4.420 nan 0.000 0.223 369 P C 1.330 178.691 177.300 0.101 0.000 1.151 369 P CA 1.001 64.157 63.100 0.093 0.000 0.787 369 P CB 0.369 32.101 31.700 0.054 0.000 0.788 370 Q N 0.629 120.485 119.800 0.094 0.000 2.049 370 Q HA -0.065 4.275 4.340 -0.000 0.000 0.198 370 Q C 2.051 178.126 176.000 0.125 0.000 0.971 370 Q CA 2.207 58.062 55.803 0.087 0.000 0.833 370 Q CB -1.750 27.024 28.738 0.059 0.000 0.896 370 Q HN 0.153 nan 8.270 nan 0.000 0.434 371 A N 1.228 124.136 122.820 0.147 0.000 1.940 371 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 371 A C 2.338 180.174 177.584 0.421 0.000 1.176 371 A CA 2.166 54.322 52.037 0.199 0.000 0.631 371 A CB -1.137 17.887 19.000 0.039 0.000 0.814 371 A HN 0.545 nan 8.150 nan 0.000 0.446 372 T N 0.273 115.095 114.554 0.447 0.000 2.708 372 T HA -0.046 4.304 4.350 -0.000 0.000 0.266 372 T C 2.164 176.983 174.700 0.198 0.000 1.037 372 T CA 1.632 63.928 62.100 0.326 0.000 1.146 372 T CB -0.431 68.517 68.868 0.132 0.000 0.865 372 T HN 0.611 nan 8.240 nan 0.000 0.435 373 A N 1.074 123.981 122.820 0.145 0.000 2.067 373 A HA -0.068 4.252 4.320 -0.000 0.000 0.219 373 A C 2.113 179.765 177.584 0.114 0.000 1.158 373 A CA 1.327 53.424 52.037 0.101 0.000 0.661 373 A CB -0.405 18.640 19.000 0.074 0.000 0.801 373 A HN 0.569 nan 8.150 nan 0.000 0.452 374 E N -0.590 119.699 120.200 0.147 0.000 2.122 374 E HA -0.069 4.281 4.350 -0.000 0.000 0.190 374 E C 1.730 178.417 176.600 0.145 0.000 0.977 374 E CA 0.734 57.211 56.400 0.127 0.000 0.820 374 E CB 0.064 29.835 29.700 0.119 0.000 0.770 374 E HN 0.290 nan 8.360 nan 0.000 0.462 375 K N 0.102 120.650 120.400 0.247 0.000 2.166 375 K HA 0.130 4.450 4.320 -0.000 0.000 0.201 375 K C 0.608 177.376 176.600 0.280 0.000 1.052 375 K CA 0.431 56.890 56.287 0.287 0.000 0.969 375 K CB 0.354 33.230 32.500 0.626 0.000 0.761 375 K HN 0.104 nan 8.250 nan 0.000 0.459 376 L N 3.341 124.711 121.223 0.245 0.000 2.297 376 L HA 0.233 4.573 4.340 -0.000 0.000 0.277 376 L C -0.614 176.330 176.870 0.124 0.000 1.040 376 L CA -0.284 54.662 54.840 0.177 0.000 0.867 376 L CB 0.910 42.975 42.059 0.010 0.000 1.244 376 L HN -0.015 nan 8.230 nan 0.000 0.433 377 Q N 3.039 122.936 119.800 0.162 0.000 2.330 377 Q HA 0.259 4.599 4.340 -0.000 0.000 0.269 377 Q C -0.775 175.359 176.000 0.223 0.000 1.022 377 Q CA -0.895 54.997 55.803 0.148 0.000 0.796 377 Q CB 2.371 31.179 28.738 0.117 0.000 1.271 377 Q HN 0.431 nan 8.270 nan 0.000 0.450 378 D N 1.818 122.317 120.400 0.167 0.000 2.708 378 D HA -0.218 4.422 4.640 -0.000 0.000 0.236 378 D C 0.789 177.232 176.300 0.238 0.000 1.146 378 D CA 1.595 55.713 54.000 0.197 0.000 0.662 378 D CB -0.952 39.980 40.800 0.220 0.000 1.059 378 D HN 1.184 nan 8.370 nan 0.000 0.428 379 G N -1.699 107.156 108.800 0.093 0.000 2.179 379 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.260 379 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.260 379 G C -0.023 174.721 174.900 -0.260 0.000 0.977 379 G CA 0.447 45.486 45.100 -0.101 0.000 0.641 379 G HN 0.312 nan 8.290 nan 0.000 0.533 380 W N -0.734 120.602 121.300 0.060 0.000 2.578 380 W HA 0.724 5.384 4.660 -0.001 0.000 0.346 380 W C 0.041 176.650 176.519 0.150 0.000 1.075 380 W CA -1.465 55.934 57.345 0.090 0.000 1.233 380 W CB 0.737 30.232 29.460 0.059 0.000 1.358 380 W HN 0.149 nan 8.180 nan 0.000 0.574 381 Y N 2.635 123.107 120.300 0.286 0.000 2.328 381 Y HA 0.502 5.052 4.550 -0.001 0.000 0.337 381 Y C 0.011 176.060 175.900 0.248 0.000 1.008 381 Y CA -1.456 56.794 58.100 0.249 0.000 1.129 381 Y CB 0.761 39.346 38.460 0.208 0.000 1.185 381 Y HN 0.344 nan 8.280 nan 0.000 0.476 382 R N 4.253 124.387 120.500 -0.610 0.000 2.202 382 R HA 0.153 4.493 4.340 -0.000 0.000 0.334 382 R C 1.082 176.887 176.300 -0.827 0.000 1.036 382 R CA 0.391 56.202 56.100 -0.482 0.000 0.878 382 R CB 0.791 30.967 30.300 -0.206 0.000 1.067 382 R HN 0.926 nan 8.270 nan 0.000 0.457 383 T N -1.247 113.065 114.554 -0.404 0.000 2.915 383 T HA -0.112 4.238 4.350 -0.000 0.000 0.269 383 T C 0.959 175.644 174.700 -0.025 0.000 1.071 383 T CA 0.808 62.838 62.100 -0.117 0.000 1.132 383 T CB -0.074 68.909 68.868 0.192 0.000 0.878 383 T HN 0.594 nan 8.240 nan 0.000 0.479 384 S N 0.767 116.437 115.700 -0.050 0.000 3.490 384 S HA -0.117 4.353 4.470 -0.000 0.000 0.301 384 S C -0.516 174.109 174.600 0.042 0.000 1.233 384 S CA 0.776 58.978 58.200 0.005 0.000 0.914 384 S CB -1.745 61.469 63.200 0.023 0.000 1.047 384 S HN 0.742 nan 8.310 nan 0.000 0.602 385 D N 0.788 121.217 120.400 0.048 0.000 2.192 385 D HA 0.534 5.174 4.640 -0.000 0.000 0.246 385 D C 0.134 176.430 176.300 -0.006 0.000 1.042 385 D CA -0.295 53.733 54.000 0.047 0.000 0.847 385 D CB 1.683 42.539 40.800 0.094 0.000 1.186 385 D HN 0.110 nan 8.370 nan 0.000 0.461 386 V N 1.340 121.249 119.914 -0.009 0.000 2.546 386 V HA 0.713 4.833 4.120 -0.000 0.000 0.284 386 V C 0.473 176.481 176.094 -0.143 0.000 1.050 386 V CA -0.320 61.962 62.300 -0.030 0.000 0.981 386 V CB 1.020 32.904 31.823 0.102 0.000 0.990 386 V HN 0.717 nan 8.190 nan 0.000 0.474 387 A N 3.979 126.709 122.820 -0.151 0.000 2.593 387 A HA 0.919 5.239 4.320 -0.000 0.000 0.290 387 A C -1.289 176.181 177.584 -0.189 0.000 1.126 387 A CA -0.662 51.239 52.037 -0.226 0.000 0.695 387 A CB 2.273 21.081 19.000 -0.320 0.000 1.290 387 A HN 0.999 nan 8.150 nan 0.000 0.414 388 V N -0.111 119.672 119.914 -0.218 0.000 2.808 388 V HA 0.577 4.697 4.120 -0.000 0.000 0.308 388 V C -1.815 174.183 176.094 -0.158 0.000 1.099 388 V CA -0.674 61.550 62.300 -0.126 0.000 0.920 388 V CB 1.620 33.422 31.823 -0.034 0.000 1.014 388 V HN 0.898 nan 8.190 nan 0.000 0.425 389 W N 4.674 125.959 121.300 -0.024 0.000 2.303 389 W HA 0.416 5.076 4.660 -0.000 0.000 0.318 389 W C 1.143 177.653 176.519 -0.015 0.000 1.362 389 W CA 0.160 57.493 57.345 -0.020 0.000 1.234 389 W CB 1.017 30.469 29.460 -0.014 0.000 1.248 389 W HN 0.752 nan 8.180 nan 0.000 0.546 390 T N 1.445 116.142 114.554 0.238 0.000 2.899 390 T HA 0.164 4.514 4.350 -0.000 0.000 0.295 390 T C -1.665 173.128 174.700 0.155 0.000 1.033 390 T CA -1.551 60.635 62.100 0.144 0.000 1.084 390 T CB 1.361 70.284 68.868 0.093 0.000 0.979 390 T HN 0.177 nan 8.240 nan 0.000 0.532 391 P HA -0.076 nan 4.420 nan 0.000 0.220 391 P C 0.577 177.910 177.300 0.056 0.000 1.144 391 P CA 0.944 64.082 63.100 0.064 0.000 0.800 391 P CB -0.059 31.667 31.700 0.043 0.000 0.772 392 E N -1.448 118.794 120.200 0.069 0.000 2.445 392 E HA 0.301 4.651 4.350 -0.000 0.000 0.189 392 E C 1.317 177.968 176.600 0.084 0.000 1.069 392 E CA 0.506 56.940 56.400 0.058 0.000 0.871 392 E CB -0.895 28.833 29.700 0.046 0.000 0.991 392 E HN 0.118 nan 8.360 nan 0.000 0.481 393 G N 1.083 109.963 108.800 0.133 0.000 2.147 393 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.244 393 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.244 393 G C 0.425 175.560 174.900 0.391 0.000 1.005 393 G CA 0.612 45.819 45.100 0.177 0.000 0.713 393 G HN 0.454 nan 8.290 nan 0.000 0.515 394 T N -2.843 111.915 114.554 0.339 0.000 2.940 394 T HA 0.726 5.076 4.350 -0.000 0.000 0.288 394 T C -0.098 174.626 174.700 0.039 0.000 1.033 394 T CA -0.578 61.645 62.100 0.205 0.000 1.033 394 T CB 2.814 71.721 68.868 0.064 0.000 1.079 394 T HN 0.725 nan 8.240 nan 0.000 0.496 395 V N 2.087 121.857 119.914 -0.240 0.000 2.383 395 V HA 0.484 4.604 4.120 -0.000 0.000 0.275 395 V C 0.472 176.385 176.094 -0.302 0.000 1.036 395 V CA -0.816 61.174 62.300 -0.517 0.000 0.889 395 V CB 0.968 32.380 31.823 -0.687 0.000 0.985 395 V HN 0.915 nan 8.190 nan 0.000 0.459 396 R N 5.651 125.992 120.500 -0.266 0.000 2.215 396 R HA 0.425 4.765 4.340 -0.000 0.000 0.336 396 R C -0.612 175.547 176.300 -0.235 0.000 0.996 396 R CA -0.629 55.359 56.100 -0.188 0.000 0.847 396 R CB 0.513 30.745 30.300 -0.114 0.000 1.127 396 R HN 0.556 nan 8.270 nan 0.000 0.465 397 I N 7.375 127.805 120.570 -0.233 0.000 2.452 397 I HA -0.026 4.144 4.170 -0.000 0.000 0.287 397 I C 1.047 177.041 176.117 -0.205 0.000 1.079 397 I CA 0.266 61.420 61.300 -0.243 0.000 1.387 397 I CB 0.912 38.774 38.000 -0.229 0.000 1.404 397 I HN 0.853 nan 8.210 nan 0.000 0.522 398 L N 5.672 126.726 121.223 -0.282 0.000 2.253 398 L HA 0.359 4.699 4.340 -0.000 0.000 0.205 398 L C 1.092 177.745 176.870 -0.362 0.000 1.078 398 L CA 0.367 54.934 54.840 -0.456 0.000 0.805 398 L CB -0.075 41.422 42.059 -0.937 0.000 0.963 398 L HN 0.847 nan 8.230 nan 0.000 0.459 399 G N -0.574 108.111 108.800 -0.192 0.000 2.341 399 G HA2 0.154 4.114 3.960 -0.000 0.000 0.293 399 G HA3 0.154 4.114 3.960 -0.000 0.000 0.293 399 G C -1.442 173.497 174.900 0.064 0.000 1.298 399 G CA -1.016 44.086 45.100 0.003 0.000 0.868 399 G HN -0.129 nan 8.290 nan 0.000 0.540 400 R N -0.429 120.130 120.500 0.098 0.000 2.490 400 R HA 0.386 4.726 4.340 -0.000 0.000 0.280 400 R C 1.504 177.866 176.300 0.105 0.000 1.077 400 R CA -0.333 55.821 56.100 0.091 0.000 1.065 400 R CB 1.481 31.828 30.300 0.079 0.000 1.003 400 R HN 0.262 nan 8.270 nan 0.000 0.470 401 V N 2.189 122.152 119.914 0.081 0.000 2.469 401 V HA -0.263 3.857 4.120 -0.000 0.000 0.251 401 V C 1.643 177.768 176.094 0.052 0.000 1.064 401 V CA 2.308 64.650 62.300 0.071 0.000 1.066 401 V CB -0.475 31.374 31.823 0.044 0.000 0.667 401 V HN 0.815 nan 8.190 nan 0.000 0.461 402 D N -0.317 120.112 120.400 0.048 0.000 2.183 402 D HA -0.146 4.494 4.640 -0.000 0.000 0.203 402 D C 1.631 177.951 176.300 0.033 0.000 0.969 402 D CA 0.934 54.955 54.000 0.034 0.000 0.842 402 D CB -0.021 40.797 40.800 0.031 0.000 0.957 402 D HN 0.389 nan 8.370 nan 0.000 0.484 403 D N -0.220 120.209 120.400 0.048 0.000 2.347 403 D HA -0.038 4.602 4.640 -0.000 0.000 0.215 403 D C 0.748 177.068 176.300 0.034 0.000 0.976 403 D CA 0.064 54.090 54.000 0.045 0.000 0.884 403 D CB -0.197 40.640 40.800 0.063 0.000 0.915 403 D HN 0.345 nan 8.370 nan 0.000 0.526 404 M N 1.174 120.792 119.600 0.030 0.000 2.260 404 M HA 0.023 4.503 4.480 -0.000 0.000 0.348 404 M C -0.297 175.967 176.300 -0.060 0.000 1.342 404 M CA 0.538 55.810 55.300 -0.047 0.000 1.040 404 M CB 0.482 33.048 32.600 -0.057 0.000 1.810 404 M HN -0.207 nan 8.290 nan 0.000 0.453 405 I N 5.881 126.396 120.570 -0.092 0.000 2.392 405 I HA 0.326 4.496 4.170 -0.000 0.000 0.295 405 I C -0.510 175.575 176.117 -0.055 0.000 0.985 405 I CA -0.415 60.854 61.300 -0.052 0.000 1.221 405 I CB 1.504 39.484 38.000 -0.033 0.000 1.366 405 I HN 0.590 nan 8.210 nan 0.000 0.467 406 I N 5.188 125.744 120.570 -0.023 0.000 2.464 406 I HA 0.196 4.366 4.170 -0.000 0.000 0.277 406 I C -0.188 175.940 176.117 0.019 0.000 1.040 406 I CA -0.046 61.249 61.300 -0.008 0.000 1.153 406 I CB 1.356 39.352 38.000 -0.006 0.000 1.274 406 I HN 0.478 nan 8.210 nan 0.000 0.469 407 S N 4.337 120.058 115.700 0.035 0.000 2.454 407 S HA 0.603 5.073 4.470 -0.000 0.000 0.306 407 S C 0.749 175.382 174.600 0.056 0.000 1.100 407 S CA 0.119 58.350 58.200 0.052 0.000 1.087 407 S CB 1.345 64.583 63.200 0.064 0.000 1.019 407 S HN 0.993 nan 8.310 nan 0.000 0.480 408 G N 3.145 111.991 108.800 0.077 0.000 2.366 408 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.299 408 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.299 408 G C 1.172 176.077 174.900 0.009 0.000 1.020 408 G CA 0.521 45.659 45.100 0.064 0.000 1.026 408 G HN 2.232 nan 8.290 nan 0.000 0.512 409 G N -1.539 107.273 108.800 0.020 0.000 2.203 409 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.263 409 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.263 409 G C 0.089 174.958 174.900 -0.052 0.000 1.012 409 G CA 0.942 46.035 45.100 -0.012 0.000 0.749 409 G HN 0.902 nan 8.290 nan 0.000 0.512 410 E N 0.136 120.301 120.200 -0.060 0.000 2.187 410 E HA 0.248 4.598 4.350 -0.000 0.000 0.268 410 E C -0.382 176.204 176.600 -0.023 0.000 0.896 410 E CA -0.948 55.388 56.400 -0.106 0.000 0.766 410 E CB 0.834 30.363 29.700 -0.286 0.000 1.142 410 E HN 0.169 nan 8.360 nan 0.000 0.408 411 N N 2.729 121.417 118.700 -0.020 0.000 2.438 411 N HA 0.168 4.908 4.740 -0.000 0.000 0.267 411 N C -0.418 175.077 175.510 -0.025 0.000 1.222 411 N CA 0.425 53.440 53.050 -0.059 0.000 0.930 411 N CB 0.220 38.684 38.487 -0.038 0.000 1.083 411 N HN 0.342 nan 8.380 nan 0.000 0.476 412 I N 2.698 123.193 120.570 -0.124 0.000 2.436 412 I HA 0.179 4.349 4.170 -0.000 0.000 0.289 412 I C -0.227 175.743 176.117 -0.245 0.000 1.010 412 I CA -0.734 60.523 61.300 -0.073 0.000 1.098 412 I CB 1.546 39.574 38.000 0.046 0.000 1.266 412 I HN 0.263 nan 8.210 nan 0.000 0.434 413 H N 6.615 125.711 119.070 0.044 0.000 2.556 413 H HA 0.219 4.775 4.556 -0.000 0.000 0.310 413 H C -1.925 173.413 175.328 0.017 0.000 1.057 413 H CA -1.759 54.306 56.048 0.028 0.000 1.264 413 H CB 1.690 31.467 29.762 0.025 0.000 1.404 413 H HN 0.324 nan 8.280 nan 0.000 0.462 414 P HA -0.212 nan 4.420 nan 0.000 0.216 414 P C 1.704 179.045 177.300 0.069 0.000 1.153 414 P CA 1.777 64.913 63.100 0.061 0.000 0.858 414 P CB 0.284 32.013 31.700 0.047 0.000 0.789 415 S N -0.201 115.550 115.700 0.086 0.000 2.392 415 S HA -0.283 4.187 4.470 -0.000 0.000 0.232 415 S C 2.028 176.663 174.600 0.060 0.000 1.041 415 S CA 1.543 59.783 58.200 0.067 0.000 1.026 415 S CB -1.348 61.889 63.200 0.061 0.000 0.845 415 S HN 0.254 nan 8.310 nan 0.000 0.465 416 E N 1.139 121.381 120.200 0.070 0.000 2.058 416 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 416 E C 1.999 178.625 176.600 0.044 0.000 0.997 416 E CA 1.575 58.006 56.400 0.052 0.000 0.801 416 E CB -0.267 29.467 29.700 0.057 0.000 0.746 416 E HN 0.683 nan 8.360 nan 0.000 0.450 417 I N 0.747 121.341 120.570 0.040 0.000 2.252 417 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 417 I C 2.231 178.385 176.117 0.061 0.000 1.102 417 I CA 1.086 62.409 61.300 0.038 0.000 1.385 417 I CB -0.242 37.766 38.000 0.012 0.000 1.064 417 I HN 0.087 nan 8.210 nan 0.000 0.414 418 E N 0.767 120.999 120.200 0.055 0.000 2.118 418 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 418 E C 2.349 178.986 176.600 0.061 0.000 0.992 418 E CA 1.085 57.518 56.400 0.056 0.000 0.804 418 E CB -0.060 29.669 29.700 0.047 0.000 0.741 418 E HN 0.421 nan 8.360 nan 0.000 0.458 419 R N 0.196 120.732 120.500 0.060 0.000 2.090 419 R HA -0.057 4.283 4.340 -0.000 0.000 0.228 419 R C 2.396 178.749 176.300 0.087 0.000 1.110 419 R CA 0.754 56.890 56.100 0.061 0.000 0.973 419 R CB -0.179 30.152 30.300 0.050 0.000 0.869 419 R HN 0.046 nan 8.270 nan 0.000 0.440 420 V N 1.696 121.673 119.914 0.105 0.000 2.223 420 V HA -0.248 3.872 4.120 -0.000 0.000 0.244 420 V C 2.342 178.592 176.094 0.261 0.000 1.045 420 V CA 1.749 64.155 62.300 0.176 0.000 1.000 420 V CB -0.451 31.457 31.823 0.142 0.000 0.635 420 V HN 0.267 nan 8.190 nan 0.000 0.445 421 L N 0.483 121.822 121.223 0.192 0.000 2.079 421 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 421 L C 2.579 179.451 176.870 0.002 0.000 1.081 421 L CA 1.667 56.581 54.840 0.124 0.000 0.752 421 L CB -1.103 41.034 42.059 0.130 0.000 0.896 421 L HN 0.521 nan 8.230 nan 0.000 0.433 422 G N -0.728 108.090 108.800 0.031 0.000 2.479 422 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.220 422 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.220 422 G C 1.540 176.426 174.900 -0.023 0.000 1.115 422 G CA 1.269 46.370 45.100 0.002 0.000 0.757 422 G HN 0.484 nan 8.290 nan 0.000 0.560 423 T N -2.084 112.473 114.554 0.005 0.000 3.129 423 T HA 0.576 4.926 4.350 -0.000 0.000 0.251 423 T C 1.085 175.667 174.700 -0.196 0.000 1.117 423 T CA 0.419 62.523 62.100 0.007 0.000 1.034 423 T CB 0.222 69.184 68.868 0.157 0.000 0.968 423 T HN 0.346 nan 8.240 nan 0.000 0.526 424 A N 3.772 126.265 122.820 -0.545 0.000 2.409 424 A HA 0.555 4.875 4.320 -0.000 0.000 0.262 424 A C -2.103 175.187 177.584 -0.490 0.000 1.113 424 A CA -1.674 49.691 52.037 -1.120 0.000 0.790 424 A CB 0.048 18.280 19.000 -1.280 0.000 1.046 424 A HN 0.339 nan 8.150 nan 0.000 0.496 425 P HA 0.220 nan 4.420 nan 0.000 0.268 425 P C 0.899 178.104 177.300 -0.158 0.000 1.205 425 P CA 1.372 64.369 63.100 -0.171 0.000 0.771 425 P CB 0.908 32.551 31.700 -0.094 0.000 0.858 426 G N 0.972 109.710 108.800 -0.104 0.000 2.199 426 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.254 426 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.254 426 G C -0.102 174.750 174.900 -0.080 0.000 0.982 426 G CA -0.045 45.005 45.100 -0.083 0.000 0.632 426 G HN 0.553 nan 8.290 nan 0.000 0.529 427 V N 1.145 121.000 119.914 -0.099 0.000 2.383 427 V HA 0.602 4.722 4.120 -0.000 0.000 0.275 427 V C 1.312 177.380 176.094 -0.044 0.000 1.036 427 V CA 0.789 63.044 62.300 -0.074 0.000 0.889 427 V CB 1.344 33.107 31.823 -0.099 0.000 0.985 427 V HN 0.330 nan 8.190 nan 0.000 0.459 428 T N 3.570 118.111 114.554 -0.023 0.000 3.010 428 T HA 0.202 4.552 4.350 -0.000 0.000 0.252 428 T C 0.524 175.223 174.700 -0.002 0.000 1.047 428 T CA 0.786 62.879 62.100 -0.011 0.000 1.140 428 T CB 0.125 68.990 68.868 -0.005 0.000 0.885 428 T HN 0.716 nan 8.240 nan 0.000 0.464 429 E N 0.024 120.227 120.200 0.005 0.000 2.366 429 E HA 0.563 4.913 4.350 -0.000 0.000 0.278 429 E C -2.058 174.557 176.600 0.025 0.000 0.923 429 E CA -0.640 55.769 56.400 0.014 0.000 0.761 429 E CB 3.058 32.768 29.700 0.017 0.000 1.231 429 E HN 0.058 nan 8.360 nan 0.000 0.443 430 V N 2.461 122.394 119.914 0.031 0.000 2.777 430 V HA 0.487 4.607 4.120 -0.000 0.000 0.306 430 V C -1.803 174.316 176.094 0.042 0.000 1.112 430 V CA -0.448 61.880 62.300 0.046 0.000 0.917 430 V CB 1.942 33.797 31.823 0.055 0.000 1.018 430 V HN 0.412 nan 8.190 nan 0.000 0.426 431 V N 6.701 126.641 119.914 0.043 0.000 2.588 431 V HA 0.588 4.708 4.120 -0.000 0.000 0.304 431 V C -0.328 175.785 176.094 0.032 0.000 1.042 431 V CA -0.627 61.693 62.300 0.035 0.000 0.877 431 V CB 1.977 33.816 31.823 0.026 0.000 0.996 431 V HN 0.711 nan 8.190 nan 0.000 0.425 432 V N 6.421 126.349 119.914 0.024 0.000 2.427 432 V HA 0.626 4.746 4.120 -0.000 0.000 0.286 432 V C -0.107 175.991 176.094 0.006 0.000 1.034 432 V CA -0.319 61.985 62.300 0.007 0.000 0.893 432 V CB 1.464 33.287 31.823 -0.001 0.000 0.982 432 V HN 0.821 nan 8.190 nan 0.000 0.452 433 I N 1.380 121.949 120.570 -0.001 0.000 3.074 433 I HA 0.964 5.134 4.170 -0.000 0.000 0.310 433 I C 0.107 176.217 176.117 -0.011 0.000 1.153 433 I CA -0.957 60.342 61.300 -0.002 0.000 0.993 433 I CB 2.474 40.472 38.000 -0.002 0.000 1.237 433 I HN 0.611 nan 8.210 nan 0.000 0.443 434 G N 3.690 112.482 108.800 -0.014 0.000 2.372 434 G HA2 0.630 4.590 3.960 -0.000 0.000 0.323 434 G HA3 0.630 4.590 3.960 -0.000 0.000 0.323 434 G C -0.834 174.050 174.900 -0.026 0.000 1.152 434 G CA -0.685 44.401 45.100 -0.023 0.000 0.906 434 G HN 0.541 nan 8.290 nan 0.000 0.460 435 L N 1.819 123.023 121.223 -0.031 0.000 2.325 435 L HA 0.497 4.837 4.340 -0.000 0.000 0.279 435 L C 1.010 177.835 176.870 -0.075 0.000 1.054 435 L CA -0.966 53.850 54.840 -0.038 0.000 0.804 435 L CB 1.798 43.850 42.059 -0.011 0.000 1.200 435 L HN 0.612 nan 8.230 nan 0.000 0.436 436 A N 2.373 125.147 122.820 -0.076 0.000 2.505 436 A HA 0.471 4.791 4.320 -0.000 0.000 0.271 436 A C 0.080 177.550 177.584 -0.191 0.000 1.112 436 A CA 0.923 52.896 52.037 -0.107 0.000 0.781 436 A CB -0.706 18.253 19.000 -0.069 0.000 1.059 436 A HN 0.991 nan 8.150 nan 0.000 0.508 437 D N 0.110 120.315 120.400 -0.326 0.000 4.142 437 D HA 0.781 5.421 4.640 -0.000 0.000 0.356 437 D C -0.285 175.444 176.300 -0.953 0.000 1.601 437 D CA 0.566 54.263 54.000 -0.505 0.000 0.970 437 D CB -0.091 40.532 40.800 -0.294 0.000 1.490 437 D HN 1.656 nan 8.370 nan 0.000 0.621 438 Q N -1.476 117.868 119.800 -0.761 0.000 2.456 438 Q HA 0.945 5.285 4.340 -0.000 0.000 0.284 438 Q C 0.474 176.286 176.000 -0.313 0.000 1.061 438 Q CA 0.988 56.216 55.803 -0.958 0.000 0.799 438 Q CB 1.955 30.127 28.738 -0.944 0.000 1.445 438 Q HN 2.103 nan 8.270 nan 0.000 0.411 439 R N -1.386 119.069 120.500 -0.076 0.000 1.213 439 R HA -0.009 4.331 4.340 -0.000 0.000 0.058 439 R C -1.548 174.926 176.300 0.291 0.000 0.939 439 R CA 1.627 57.792 56.100 0.110 0.000 1.982 439 R CB -1.133 29.188 30.300 0.035 0.000 0.366 439 R HN 1.389 nan 8.270 nan 0.000 0.715 440 W N -1.670 119.634 121.300 0.007 0.000 3.518 440 W HA 0.411 5.071 4.660 -0.000 0.000 0.312 440 W C 0.840 177.359 176.519 0.001 0.000 0.916 440 W CA 0.740 58.087 57.345 0.003 0.000 0.924 440 W CB 0.068 29.528 29.460 -0.001 0.000 1.281 440 W HN 1.050 nan 8.180 nan 0.000 0.545 441 G N 1.111 110.049 108.800 0.229 0.000 5.155 441 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.239 441 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.239 441 G C 0.064 174.931 174.900 -0.054 0.000 1.409 441 G CA 0.767 45.950 45.100 0.138 0.000 0.927 441 G HN 0.590 nan 8.290 nan 0.000 0.710 442 Q N -0.210 119.561 119.800 -0.050 0.000 2.389 442 Q HA 0.622 4.962 4.340 -0.000 0.000 0.277 442 Q C -1.253 174.703 176.000 -0.073 0.000 1.082 442 Q CA -0.238 55.522 55.803 -0.072 0.000 0.810 442 Q CB 2.411 31.130 28.738 -0.031 0.000 1.374 442 Q HN 0.420 nan 8.270 nan 0.000 0.422 443 S N 1.221 116.870 115.700 -0.084 0.000 2.456 443 S HA 0.383 4.853 4.470 -0.000 0.000 0.316 443 S C -0.513 174.056 174.600 -0.051 0.000 1.089 443 S CA -0.525 57.632 58.200 -0.070 0.000 1.101 443 S CB 0.847 63.991 63.200 -0.094 0.000 0.995 443 S HN 0.400 nan 8.310 nan 0.000 0.468 444 V N 5.996 125.882 119.914 -0.047 0.000 2.493 444 V HA 0.225 4.345 4.120 -0.000 0.000 0.292 444 V C 0.401 176.433 176.094 -0.103 0.000 1.016 444 V CA 0.534 62.798 62.300 -0.060 0.000 1.097 444 V CB 0.499 32.288 31.823 -0.056 0.000 0.947 444 V HN 0.954 nan 8.190 nan 0.000 0.479 445 T N 4.560 119.062 114.554 -0.087 0.000 2.881 445 T HA 0.698 5.048 4.350 -0.000 0.000 0.290 445 T C -0.219 174.421 174.700 -0.099 0.000 1.000 445 T CA -0.336 61.705 62.100 -0.098 0.000 0.978 445 T CB 1.770 70.670 68.868 0.054 0.000 0.997 445 T HN 0.858 nan 8.240 nan 0.000 0.443 446 A N 1.578 124.264 122.820 -0.224 0.000 2.304 446 A HA 0.662 4.982 4.320 -0.000 0.000 0.323 446 A C -0.226 177.401 177.584 0.071 0.000 1.195 446 A CA -0.633 51.332 52.037 -0.120 0.000 0.826 446 A CB 0.355 19.205 19.000 -0.250 0.000 1.184 446 A HN 0.976 nan 8.150 nan 0.000 0.496 447 C N 2.937 122.308 119.300 0.119 0.000 2.281 447 C HA 0.663 5.123 4.460 -0.000 0.000 0.323 447 C C 0.151 175.218 174.990 0.128 0.000 1.270 447 C CA -0.651 58.465 59.018 0.164 0.000 1.559 447 C CB -0.180 27.625 27.740 0.107 0.000 2.239 447 C HN 0.773 nan 8.230 nan 0.000 0.488 448 V N 2.105 122.106 119.914 0.145 0.000 2.588 448 V HA 0.801 4.921 4.120 -0.000 0.000 0.304 448 V C -0.560 175.576 176.094 0.070 0.000 1.042 448 V CA -0.520 61.841 62.300 0.102 0.000 0.877 448 V CB 1.378 33.270 31.823 0.114 0.000 0.996 448 V HN 0.485 nan 8.190 nan 0.000 0.425 449 V N 6.203 126.142 119.914 0.042 0.000 2.370 449 V HA 0.476 4.596 4.120 -0.000 0.000 0.279 449 V C -1.996 174.104 176.094 0.009 0.000 1.029 449 V CA -1.608 60.708 62.300 0.027 0.000 0.870 449 V CB 1.524 33.359 31.823 0.020 0.000 0.984 449 V HN 0.862 nan 8.190 nan 0.000 0.451 450 P HA 0.292 nan 4.420 nan 0.000 0.274 450 P C -0.278 177.016 177.300 -0.011 0.000 1.237 450 P CA -0.581 62.512 63.100 -0.012 0.000 0.793 450 P CB 0.840 32.532 31.700 -0.012 0.000 0.977 451 R N 0.407 120.896 120.500 -0.019 0.000 2.694 451 R HA 0.165 4.505 4.340 -0.000 0.000 0.268 451 R C 0.218 176.512 176.300 -0.010 0.000 1.061 451 R CA -0.808 55.283 56.100 -0.014 0.000 1.133 451 R CB -0.170 30.118 30.300 -0.020 0.000 1.020 451 R HN 0.415 nan 8.270 nan 0.000 0.475 452 L N 2.176 123.395 121.223 -0.006 0.000 2.660 452 L HA 0.010 4.350 4.340 -0.000 0.000 0.272 452 L C 1.069 177.936 176.870 -0.006 0.000 1.194 452 L CA 2.008 56.846 54.840 -0.004 0.000 0.945 452 L CB 0.060 42.118 42.059 -0.002 0.000 1.212 452 L HN 0.931 nan 8.230 nan 0.000 0.490 453 G N 2.477 111.274 108.800 -0.005 0.000 2.234 453 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.235 453 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.235 453 G C 0.267 175.162 174.900 -0.009 0.000 0.997 453 G CA 0.127 45.223 45.100 -0.006 0.000 0.623 453 G HN 0.613 nan 8.290 nan 0.000 0.514 454 E N 1.336 121.529 120.200 -0.012 0.000 2.319 454 E HA 0.569 4.919 4.350 -0.000 0.000 0.268 454 E C 0.173 176.762 176.600 -0.018 0.000 1.050 454 E CA 0.041 56.430 56.400 -0.018 0.000 0.878 454 E CB 1.089 30.774 29.700 -0.024 0.000 1.066 454 E HN 0.262 nan 8.360 nan 0.000 0.406 455 T N 1.739 116.280 114.554 -0.022 0.000 2.907 455 T HA 0.607 4.957 4.350 -0.000 0.000 0.284 455 T C 0.391 175.068 174.700 -0.038 0.000 1.004 455 T CA -0.605 61.481 62.100 -0.024 0.000 1.063 455 T CB 0.707 69.561 68.868 -0.022 0.000 0.992 455 T HN 0.165 nan 8.240 nan 0.000 0.483 456 L N 1.768 122.967 121.223 -0.041 0.000 2.323 456 L HA 0.770 5.110 4.340 -0.000 0.000 0.265 456 L C 0.099 176.924 176.870 -0.075 0.000 1.012 456 L CA -0.935 53.865 54.840 -0.067 0.000 0.820 456 L CB 2.205 44.223 42.059 -0.069 0.000 1.334 456 L HN 0.808 nan 8.230 nan 0.000 0.427 457 S N -0.237 115.395 115.700 -0.113 0.000 2.548 457 S HA 0.640 5.110 4.470 -0.000 0.000 0.286 457 S C 0.392 174.858 174.600 -0.223 0.000 1.098 457 S CA -0.112 58.015 58.200 -0.122 0.000 0.930 457 S CB 1.891 65.036 63.200 -0.090 0.000 1.070 457 S HN 0.729 nan 8.310 nan 0.000 0.480 458 A N 1.819 124.508 122.820 -0.217 0.000 1.908 458 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 458 A C 1.697 179.085 177.584 -0.328 0.000 1.181 458 A CA 2.062 53.891 52.037 -0.346 0.000 0.627 458 A CB -1.188 17.758 19.000 -0.091 0.000 0.818 458 A HN 0.886 nan 8.150 nan 0.000 0.445 459 D N 0.038 120.341 120.400 -0.162 0.000 2.106 459 D HA -0.118 4.522 4.640 -0.000 0.000 0.191 459 D C 2.260 178.493 176.300 -0.110 0.000 0.997 459 D CA 1.827 55.766 54.000 -0.102 0.000 0.834 459 D CB -0.509 40.255 40.800 -0.061 0.000 0.956 459 D HN 0.431 nan 8.370 nan 0.000 0.448 460 A N 0.402 123.147 122.820 -0.124 0.000 1.898 460 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 460 A C 2.448 179.976 177.584 -0.092 0.000 1.181 460 A CA 0.821 52.808 52.037 -0.083 0.000 0.620 460 A CB -0.724 18.229 19.000 -0.077 0.000 0.819 460 A HN 0.203 nan 8.150 nan 0.000 0.442 461 L N -0.561 120.512 121.223 -0.250 0.000 2.046 461 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 461 L C 2.412 179.216 176.870 -0.111 0.000 1.077 461 L CA 1.769 56.438 54.840 -0.286 0.000 0.747 461 L CB -0.556 41.062 42.059 -0.734 0.000 0.896 461 L HN 0.477 nan 8.230 nan 0.000 0.432 462 D N -0.475 119.816 120.400 -0.182 0.000 2.097 462 D HA -0.179 4.461 4.640 -0.000 0.000 0.195 462 D C 2.001 178.337 176.300 0.059 0.000 0.989 462 D CA 1.752 55.783 54.000 0.051 0.000 0.827 462 D CB 0.093 40.929 40.800 0.060 0.000 0.966 462 D HN 0.101 nan 8.370 nan 0.000 0.456 463 T N -0.418 114.153 114.554 0.027 0.000 2.665 463 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 463 T C 1.639 176.374 174.700 0.057 0.000 1.035 463 T CA 1.336 63.456 62.100 0.034 0.000 1.151 463 T CB -0.688 68.195 68.868 0.025 0.000 0.862 463 T HN 0.269 nan 8.240 nan 0.000 0.438 464 F N 1.082 121.012 119.950 -0.034 0.000 2.102 464 F HA -0.161 4.366 4.527 -0.000 0.000 0.298 464 F C 2.521 178.321 175.800 0.001 0.000 1.105 464 F CA 0.852 58.841 58.000 -0.019 0.000 1.239 464 F CB -0.672 38.312 39.000 -0.027 0.000 0.991 464 F HN 0.149 nan 8.300 nan 0.000 0.474 465 C N 0.901 120.285 119.300 0.139 0.000 2.425 465 C HA -0.143 4.317 4.460 -0.000 0.000 0.277 465 C C 2.835 177.789 174.990 -0.061 0.000 1.280 465 C CA 1.069 60.117 59.018 0.049 0.000 1.744 465 C CB -1.268 26.568 27.740 0.160 0.000 1.989 465 C HN 0.442 nan 8.230 nan 0.000 0.491 466 R N 0.355 120.835 120.500 -0.034 0.000 2.120 466 R HA -0.119 4.221 4.340 -0.000 0.000 0.234 466 R C 2.155 178.400 176.300 -0.091 0.000 1.123 466 R CA 1.626 57.700 56.100 -0.045 0.000 0.975 466 R CB -0.375 29.916 30.300 -0.016 0.000 0.866 466 R HN 0.542 nan 8.270 nan 0.000 0.446 467 S N 0.399 116.007 115.700 -0.153 0.000 2.634 467 S HA 0.021 4.491 4.470 -0.000 0.000 0.221 467 S C 0.459 174.906 174.600 -0.256 0.000 0.952 467 S CA -0.179 57.912 58.200 -0.183 0.000 0.930 467 S CB 0.080 63.174 63.200 -0.176 0.000 0.780 467 S HN 0.288 nan 8.310 nan 0.000 0.498 468 S N -0.184 115.355 115.700 -0.267 0.000 2.767 468 S HA 0.478 4.948 4.470 -0.000 0.000 0.300 468 S C 0.680 175.198 174.600 -0.137 0.000 1.123 468 S CA -0.661 57.386 58.200 -0.255 0.000 0.992 468 S CB 0.903 63.925 63.200 -0.297 0.000 1.138 468 S HN 0.195 nan 8.310 nan 0.000 0.550 469 E N -0.012 120.126 120.200 -0.102 0.000 2.409 469 E HA 0.095 4.445 4.350 -0.000 0.000 0.198 469 E C 0.180 176.741 176.600 -0.064 0.000 1.024 469 E CA 0.127 56.487 56.400 -0.065 0.000 0.861 469 E CB -0.279 29.396 29.700 -0.043 0.000 0.788 469 E HN 0.536 nan 8.360 nan 0.000 0.521 470 L N 1.096 122.272 121.223 -0.078 0.000 2.485 470 L HA -0.003 4.337 4.340 -0.000 0.000 0.275 470 L C 0.640 177.437 176.870 -0.122 0.000 1.207 470 L CA -0.345 54.433 54.840 -0.102 0.000 0.855 470 L CB 0.436 42.435 42.059 -0.100 0.000 1.114 470 L HN -0.045 nan 8.230 nan 0.000 0.485 471 A N 2.285 124.994 122.820 -0.185 0.000 2.351 471 A HA 0.168 4.488 4.320 -0.000 0.000 0.257 471 A C 0.786 178.222 177.584 -0.247 0.000 1.087 471 A CA -0.559 51.374 52.037 -0.174 0.000 0.798 471 A CB 0.347 19.273 19.000 -0.124 0.000 1.033 471 A HN 0.890 nan 8.150 nan 0.000 0.488 472 D N 0.702 121.068 120.400 -0.056 0.000 2.984 472 D HA -0.353 4.287 4.640 -0.000 0.000 0.266 472 D C 1.312 177.591 176.300 -0.034 0.000 1.083 472 D CA 3.163 57.177 54.000 0.022 0.000 0.985 472 D CB -0.868 40.036 40.800 0.174 0.000 1.137 472 D HN 0.801 nan 8.370 nan 0.000 0.495 473 F N 0.000 119.956 119.950 0.009 0.000 2.269 473 F HA 0.036 4.563 4.527 -0.000 0.000 0.301 473 F C 1.912 177.712 175.800 0.000 0.000 1.082 473 F CA 0.812 58.815 58.000 0.006 0.000 1.360 473 F CB -0.475 38.528 39.000 0.006 0.000 1.041 473 F HN -0.098 nan 8.300 nan 0.000 0.512 474 K N 0.637 120.646 120.400 -0.651 0.000 2.366 474 K HA 0.051 4.371 4.320 -0.000 0.000 0.198 474 K C 0.509 176.998 176.600 -0.185 0.000 1.044 474 K CA 0.159 56.196 56.287 -0.417 0.000 0.973 474 K CB -0.128 32.055 32.500 -0.529 0.000 0.767 474 K HN 0.223 nan 8.250 nan 0.000 0.475 475 R N 2.202 122.618 120.500 -0.139 0.000 2.522 475 R HA 0.058 4.398 4.340 -0.000 0.000 0.284 475 R C -2.467 173.797 176.300 -0.061 0.000 1.032 475 R CA -1.569 54.497 56.100 -0.056 0.000 1.049 475 R CB -0.237 30.055 30.300 -0.015 0.000 0.956 475 R HN -0.072 nan 8.270 nan 0.000 0.422 476 P HA -0.051 nan 4.420 nan 0.000 0.264 476 P C 0.076 177.268 177.300 -0.181 0.000 1.183 476 P CA 0.166 63.124 63.100 -0.237 0.000 0.763 476 P CB 0.600 31.949 31.700 -0.584 0.000 0.807 477 K N 1.971 122.276 120.400 -0.158 0.000 2.400 477 K HA 0.098 4.418 4.320 -0.000 0.000 0.194 477 K C 0.791 177.317 176.600 -0.122 0.000 1.033 477 K CA 0.622 56.854 56.287 -0.093 0.000 1.021 477 K CB 0.467 32.928 32.500 -0.066 0.000 0.808 477 K HN 0.439 nan 8.250 nan 0.000 0.505 478 R N -0.598 119.746 120.500 -0.260 0.000 2.629 478 R HA 0.288 4.628 4.340 -0.000 0.000 0.266 478 R C -1.816 174.192 176.300 -0.487 0.000 1.051 478 R CA -0.571 55.363 56.100 -0.277 0.000 0.895 478 R CB 1.363 31.503 30.300 -0.266 0.000 1.246 478 R HN -0.152 nan 8.270 nan 0.000 0.459 479 Y N 1.814 121.927 120.300 -0.311 0.000 2.425 479 Y HA 0.498 5.048 4.550 0.000 0.000 0.344 479 Y C -0.837 174.809 175.900 -0.424 0.000 0.969 479 Y CA -0.524 57.437 58.100 -0.231 0.000 1.052 479 Y CB 1.822 40.209 38.460 -0.121 0.000 1.215 479 Y HN 0.367 nan 8.280 nan 0.000 0.451 480 F N 4.202 124.229 119.950 0.128 0.000 2.449 480 F HA 0.481 5.008 4.527 0.000 0.000 0.342 480 F C -0.611 175.239 175.800 0.082 0.000 1.127 480 F CA -0.994 57.053 58.000 0.079 0.000 0.975 480 F CB 1.098 40.117 39.000 0.033 0.000 1.146 480 F HN 0.164 nan 8.300 nan 0.000 0.444 481 I N 5.502 126.202 120.570 0.218 0.000 2.325 481 I HA 0.385 4.555 4.170 -0.000 0.000 0.291 481 I C -0.260 175.929 176.117 0.122 0.000 1.019 481 I CA -0.570 60.809 61.300 0.133 0.000 1.302 481 I CB 0.530 38.571 38.000 0.069 0.000 1.401 481 I HN 0.491 nan 8.210 nan 0.000 0.485 482 L N 5.061 126.339 121.223 0.092 0.000 2.333 482 L HA 0.414 4.754 4.340 -0.000 0.000 0.263 482 L C 0.773 177.666 176.870 0.039 0.000 1.014 482 L CA -0.741 54.136 54.840 0.062 0.000 0.820 482 L CB 2.070 44.160 42.059 0.051 0.000 1.352 482 L HN 0.523 nan 8.230 nan 0.000 0.421 483 D N -0.752 119.663 120.400 0.026 0.000 2.347 483 D HA -0.026 4.614 4.640 -0.000 0.000 0.213 483 D C 0.195 176.503 176.300 0.014 0.000 0.985 483 D CA 0.357 54.368 54.000 0.017 0.000 0.879 483 D CB 0.419 41.227 40.800 0.013 0.000 0.919 483 D HN 0.539 nan 8.370 nan 0.000 0.526 484 Q N -0.831 118.977 119.800 0.014 0.000 2.776 484 Q HA 0.298 4.638 4.340 -0.000 0.000 0.289 484 Q C -1.888 174.117 176.000 0.007 0.000 0.912 484 Q CA -0.959 54.850 55.803 0.010 0.000 0.789 484 Q CB 0.489 29.231 28.738 0.006 0.000 1.498 484 Q HN 0.122 nan 8.270 nan 0.000 0.408 485 L N 1.143 122.370 121.223 0.006 0.000 2.313 485 L HA 0.541 4.881 4.340 -0.000 0.000 0.283 485 L C -2.341 174.528 176.870 -0.002 0.000 1.013 485 L CA -2.198 52.643 54.840 0.002 0.000 0.816 485 L CB 1.651 43.715 42.059 0.008 0.000 1.236 485 L HN 0.463 nan 8.230 nan 0.000 0.419 486 P HA 0.051 nan 4.420 nan 0.000 0.261 486 P C -0.920 176.377 177.300 -0.005 0.000 1.203 486 P CA 0.167 63.261 63.100 -0.010 0.000 0.767 486 P CB 0.216 31.906 31.700 -0.018 0.000 0.785 487 K N 3.383 123.781 120.400 -0.002 0.000 2.762 487 K HA 0.127 4.447 4.320 -0.000 0.000 0.180 487 K C 0.363 176.963 176.600 0.001 0.000 1.067 487 K CA -0.611 55.677 56.287 0.002 0.000 0.973 487 K CB 0.120 32.624 32.500 0.005 0.000 1.290 487 K HN 0.428 nan 8.250 nan 0.000 0.604 488 N N 0.701 119.399 118.700 -0.002 0.000 1.377 488 N HA -0.400 4.340 4.740 -0.000 0.000 0.100 488 N C 0.919 176.425 175.510 -0.007 0.000 0.631 488 N CA 1.657 54.704 53.050 -0.005 0.000 0.841 488 N CB -0.493 37.991 38.487 -0.004 0.000 1.000 488 N HN 0.234 nan 8.380 nan 0.000 0.797 489 A N -1.157 121.655 122.820 -0.013 0.000 1.930 489 A HA 0.365 4.685 4.320 -0.000 0.000 0.217 489 A C 1.827 179.404 177.584 -0.013 0.000 1.175 489 A CA 2.701 54.726 52.037 -0.019 0.000 0.627 489 A CB -1.121 17.859 19.000 -0.034 0.000 0.815 489 A HN 1.194 nan 8.150 nan 0.000 0.443 490 L N -2.115 119.104 121.223 -0.006 0.000 2.472 490 L HA 0.667 5.007 4.340 -0.000 0.000 0.256 490 L C 0.888 177.767 176.870 0.014 0.000 1.111 490 L CA -0.047 54.798 54.840 0.009 0.000 0.800 490 L CB -1.012 41.060 42.059 0.022 0.000 1.286 490 L HN 0.699 nan 8.230 nan 0.000 0.479 491 N N 0.624 119.336 118.700 0.020 0.000 3.052 491 N HA 0.412 5.152 4.740 -0.000 0.000 0.302 491 N C 0.107 175.627 175.510 0.017 0.000 1.332 491 N CA -0.102 52.958 53.050 0.016 0.000 1.129 491 N CB -0.384 38.112 38.487 0.015 0.000 1.436 491 N HN 0.715 nan 8.380 nan 0.000 0.536 492 K N -0.048 120.363 120.400 0.019 0.000 2.316 492 K HA 0.509 4.829 4.320 -0.000 0.000 0.251 492 K C -0.622 175.987 176.600 0.016 0.000 0.934 492 K CA -0.647 55.653 56.287 0.021 0.000 0.802 492 K CB 2.634 35.152 32.500 0.030 0.000 1.171 492 K HN 0.164 nan 8.250 nan 0.000 0.426 493 V N 4.038 123.962 119.914 0.017 0.000 2.572 493 V HA 0.034 4.154 4.120 -0.000 0.000 0.291 493 V C 0.474 176.574 176.094 0.009 0.000 1.039 493 V CA -0.196 62.111 62.300 0.012 0.000 1.055 493 V CB 0.381 32.211 31.823 0.013 0.000 0.969 493 V HN 0.588 nan 8.190 nan 0.000 0.482 494 L N 7.007 128.231 121.223 0.002 0.000 2.399 494 L HA 0.267 4.607 4.340 -0.000 0.000 0.257 494 L C 1.780 178.646 176.870 -0.007 0.000 1.236 494 L CA -0.176 54.663 54.840 -0.002 0.000 1.144 494 L CB -0.394 41.660 42.059 -0.007 0.000 1.379 494 L HN 0.694 nan 8.230 nan 0.000 0.414 495 R N 1.248 121.748 120.500 -0.001 0.000 2.122 495 R HA -0.290 4.050 4.340 -0.000 0.000 0.236 495 R C 2.623 178.915 176.300 -0.014 0.000 1.129 495 R CA 2.061 58.158 56.100 -0.005 0.000 0.925 495 R CB -0.740 29.563 30.300 0.004 0.000 0.850 495 R HN 0.655 nan 8.270 nan 0.000 0.431 496 R N 1.718 122.211 120.500 -0.011 0.000 2.133 496 R HA -0.255 4.085 4.340 -0.000 0.000 0.245 496 R C 2.073 178.358 176.300 -0.025 0.000 1.137 496 R CA 2.275 58.365 56.100 -0.016 0.000 0.947 496 R CB -1.722 28.571 30.300 -0.011 0.000 0.865 496 R HN 0.534 nan 8.270 nan 0.000 0.437 497 Q N -0.582 119.204 119.800 -0.024 0.000 2.084 497 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 497 Q C 2.339 178.312 176.000 -0.044 0.000 0.978 497 Q CA 1.805 57.590 55.803 -0.030 0.000 0.844 497 Q CB -0.158 28.566 28.738 -0.024 0.000 0.898 497 Q HN 0.513 nan 8.270 nan 0.000 0.426 498 L N 0.137 121.333 121.223 -0.044 0.000 1.994 498 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 498 L C 2.272 179.086 176.870 -0.093 0.000 1.071 498 L CA 1.456 56.258 54.840 -0.064 0.000 0.745 498 L CB -0.744 41.288 42.059 -0.046 0.000 0.892 498 L HN 0.019 nan 8.230 nan 0.000 0.431 499 V N -0.167 119.704 119.914 -0.072 0.000 2.278 499 V HA -0.410 3.710 4.120 -0.000 0.000 0.251 499 V C 3.086 179.126 176.094 -0.091 0.000 1.062 499 V CA 2.531 64.784 62.300 -0.078 0.000 1.038 499 V CB -1.641 30.153 31.823 -0.047 0.000 0.646 499 V HN 0.746 nan 8.190 nan 0.000 0.447 500 Q N -0.773 118.984 119.800 -0.071 0.000 2.167 500 Q HA -0.265 4.075 4.340 -0.000 0.000 0.202 500 Q C 2.173 178.121 176.000 -0.085 0.000 0.970 500 Q CA 1.978 57.741 55.803 -0.066 0.000 0.855 500 Q CB -0.648 28.062 28.738 -0.046 0.000 0.911 500 Q HN 0.779 nan 8.270 nan 0.000 0.438 501 Q N 0.111 119.850 119.800 -0.102 0.000 2.046 501 Q HA -0.105 4.235 4.340 -0.000 0.000 0.200 501 Q C 2.145 178.032 176.000 -0.188 0.000 0.975 501 Q CA 2.182 57.913 55.803 -0.121 0.000 0.836 501 Q CB -0.100 28.571 28.738 -0.111 0.000 0.896 501 Q HN 0.775 nan 8.270 nan 0.000 0.428 502 V N -2.584 117.160 119.914 -0.284 0.000 3.380 502 V HA 0.254 4.374 4.120 -0.000 0.000 0.268 502 V C 0.865 176.754 176.094 -0.341 0.000 1.168 502 V CA 0.830 62.823 62.300 -0.512 0.000 1.156 502 V CB -0.641 30.591 31.823 -0.985 0.000 0.785 502 V HN 0.329 nan 8.190 nan 0.000 0.487 503 S N 0.000 115.591 115.700 -0.182 0.000 2.498 503 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 503 S CA 0.000 58.144 58.200 -0.094 0.000 1.107 503 S CB 0.000 63.159 63.200 -0.068 0.000 0.593 503 S HN 0.000 nan 8.310 nan 0.000 0.517