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 3kf5_1_B DATA FIRST_RESID 28 DATA SEQUENCE SVDTSEYNRP LIHFTPEKGW MNDPNGLFYD KTAKLWHLYF QYNPNATAWG DATA SEQUENCE QPLYWGHATS NDLVHWDEHE IAIGPEHDNE GIFSGSIVVD HNNTSGFFNS DATA SEQUENCE SIDPNQRIVA IYTNNIPDNQ TQDIAFSLDG GYTFTKYENN PVIDVSSNQF DATA SEQUENCE RDPKVFWHED SNQWIMVVSK SQEYKIQIFG SANLKNWVLN SNFSSGYYGN DATA SEQUENCE QYECPGLIEV PIENSDKSKW VMFLAINPGS PLGGSINQYF VGDFDGFQFV DATA SEQUENCE PDDSQTRFVD IGKDFYAFQT FSEVEHGVLG LAWASNWQYA DQVPTNPWRS DATA SEQUENCE STSLARNYTL RYVHTNAETK QLTLIQNPVL PDSINVVDKL KKKNVKLTNK DATA SEQUENCE KPIKTNFKGS TGLFDFNITF KVLNLNVSPG KTHFDILINS QELNSSVDSI DATA SEQUENCE KIGFDSSQSS FYIDRHIPNV EFPRKQFFTD KLAAYLEPLD YDQDLRVFSL DATA SEQUENCE YGIVDKNIIE LYFNDGTVAM TNTFFMGEGK YPHDIQIVTD TEEPLFELES DATA SEQUENCE VIIRELNK 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 28 S HA 0.000 nan 4.470 nan 0.000 0.327 28 S C 0.000 174.631 174.600 0.052 0.000 1.055 28 S CA 0.000 58.226 58.200 0.043 0.000 1.107 28 S CB 0.000 63.224 63.200 0.040 0.000 0.593 29 V N 2.799 122.745 119.914 0.054 0.000 2.529 29 V HA 0.295 4.415 4.120 0.000 0.000 0.292 29 V C -0.019 176.124 176.094 0.083 0.000 1.028 29 V CA 0.653 62.995 62.300 0.071 0.000 1.074 29 V CB 0.978 32.846 31.823 0.074 0.000 0.958 29 V HN 0.650 nan 8.190 nan 0.000 0.481 30 D N 3.905 124.363 120.400 0.097 0.000 2.392 30 D HA 0.190 4.830 4.640 0.000 0.000 0.228 30 D C 1.023 177.392 176.300 0.115 0.000 1.074 30 D CA -0.106 53.958 54.000 0.106 0.000 0.838 30 D CB 1.918 42.768 40.800 0.084 0.000 1.067 30 D HN 0.654 nan 8.370 nan 0.000 0.511 31 T N 0.067 114.676 114.554 0.092 0.000 3.129 31 T HA -0.006 4.344 4.350 0.000 0.000 0.251 31 T C 1.619 176.192 174.700 -0.211 0.000 1.117 31 T CA 0.239 62.268 62.100 -0.118 0.000 1.034 31 T CB 0.003 68.695 68.868 -0.292 0.000 0.968 31 T HN 0.154 nan 8.240 nan 0.000 0.526 32 S N 2.018 117.729 115.700 0.018 0.000 2.380 32 S HA -0.198 4.272 4.470 0.000 0.000 0.229 32 S C 1.864 176.386 174.600 -0.129 0.000 1.043 32 S CA 1.742 59.882 58.200 -0.101 0.000 1.038 32 S CB -0.528 62.566 63.200 -0.176 0.000 0.872 32 S HN 0.674 nan 8.310 nan 0.000 0.456 33 E N 0.745 120.926 120.200 -0.032 0.000 2.187 33 E HA -0.210 4.140 4.350 0.000 0.000 0.199 33 E C 1.524 178.150 176.600 0.044 0.000 1.004 33 E CA 1.783 58.202 56.400 0.032 0.000 0.813 33 E CB -0.176 29.628 29.700 0.174 0.000 0.736 33 E HN 0.931 nan 8.360 nan 0.000 0.468 34 Y N -4.052 116.280 120.300 0.053 0.000 2.448 34 Y HA 0.507 5.057 4.550 0.000 0.000 0.257 34 Y C 1.367 177.343 175.900 0.128 0.000 1.089 34 Y CA -0.360 57.827 58.100 0.145 0.000 1.245 34 Y CB 0.004 38.667 38.460 0.339 0.000 1.282 34 Y HN -0.133 nan 8.280 nan 0.000 0.529 35 N N 0.950 119.456 118.700 -0.323 0.000 2.510 35 N HA 0.085 4.825 4.740 0.000 0.000 0.186 35 N C 0.114 175.667 175.510 0.071 0.000 1.051 35 N CA 0.139 53.105 53.050 -0.140 0.000 0.877 35 N CB 0.159 38.530 38.487 -0.193 0.000 1.183 35 N HN 0.169 nan 8.380 nan 0.000 0.443 36 R N 2.337 122.838 120.500 0.001 0.000 2.351 36 R HA 0.195 4.535 4.340 0.000 0.000 0.318 36 R C -2.496 173.681 176.300 -0.205 0.000 1.055 36 R CA -1.225 54.726 56.100 -0.248 0.000 0.968 36 R CB 0.376 30.297 30.300 -0.631 0.000 0.974 36 R HN -0.018 nan 8.270 nan 0.000 0.439 37 P HA -0.066 nan 4.420 nan 0.000 0.268 37 P C -0.089 177.137 177.300 -0.123 0.000 1.208 37 P CA 0.137 63.172 63.100 -0.108 0.000 0.777 37 P CB 0.586 32.236 31.700 -0.082 0.000 0.875 38 L N 1.903 123.093 121.223 -0.054 0.000 2.425 38 L HA 0.178 4.518 4.340 0.000 0.000 0.215 38 L C 1.736 178.578 176.870 -0.046 0.000 1.065 38 L CA 0.878 55.672 54.840 -0.077 0.000 0.842 38 L CB -0.197 41.808 42.059 -0.090 0.000 1.033 38 L HN 0.398 nan 8.230 nan 0.000 0.474 39 I N -4.670 115.909 120.570 0.015 0.000 4.154 39 I HA 0.232 4.402 4.170 0.000 0.000 0.334 39 I C 0.057 176.185 176.117 0.017 0.000 1.371 39 I CA -0.427 60.854 61.300 -0.032 0.000 1.110 39 I CB 0.096 38.020 38.000 -0.127 0.000 1.085 39 I HN -0.018 nan 8.210 nan 0.000 0.398 40 H N 1.375 120.457 119.070 0.020 0.000 2.502 40 H HA 0.376 4.932 4.556 0.000 0.000 0.327 40 H C -0.728 174.570 175.328 -0.050 0.000 1.099 40 H CA -0.532 55.533 56.048 0.028 0.000 1.323 40 H CB 0.942 30.697 29.762 -0.012 0.000 1.450 40 H HN 0.200 nan 8.280 nan 0.000 0.502 41 F N 2.018 121.847 119.950 -0.200 0.000 2.518 41 F HA 0.296 4.823 4.527 0.000 0.000 0.359 41 F C 0.033 175.592 175.800 -0.401 0.000 1.118 41 F CA 0.493 58.185 58.000 -0.513 0.000 1.287 41 F CB 0.647 38.924 39.000 -1.205 0.000 1.132 41 F HN 0.377 nan 8.300 nan 0.000 0.587 42 T N 7.243 120.711 114.554 -1.810 0.000 3.032 42 T HA 0.349 4.699 4.350 0.000 0.000 0.312 42 T C -2.824 170.866 174.700 -1.683 0.000 1.078 42 T CA -1.126 60.135 62.100 -1.399 0.000 1.028 42 T CB 1.889 70.184 68.868 -0.956 0.000 1.091 42 T HN 0.395 nan 8.240 nan 0.000 0.457 43 P HA 0.317 nan 4.420 nan 0.000 0.278 43 P C 0.612 177.710 177.300 -0.336 0.000 1.238 43 P CA -0.179 62.589 63.100 -0.554 0.000 0.794 43 P CB 1.246 32.797 31.700 -0.249 0.000 0.955 44 E N 2.235 122.327 120.200 -0.180 0.000 2.033 44 E HA -0.191 4.159 4.350 0.000 0.000 0.199 44 E C 0.604 177.208 176.600 0.007 0.000 1.011 44 E CA 1.781 58.114 56.400 -0.111 0.000 0.815 44 E CB 0.011 29.695 29.700 -0.026 0.000 0.755 44 E HN 0.530 nan 8.360 nan 0.000 0.451 45 K N -1.760 118.720 120.400 0.133 0.000 2.435 45 K HA 0.620 4.940 4.320 0.000 0.000 0.251 45 K C 0.012 176.819 176.600 0.345 0.000 0.954 45 K CA -0.597 55.822 56.287 0.220 0.000 0.820 45 K CB 2.246 34.849 32.500 0.173 0.000 1.292 45 K HN 0.231 nan 8.250 nan 0.000 0.436 46 G N 0.892 109.886 108.800 0.324 0.000 2.627 46 G HA2 -0.204 3.756 3.960 0.000 0.000 0.214 46 G HA3 -0.204 3.756 3.960 0.000 0.000 0.214 46 G C -1.665 173.496 174.900 0.435 0.000 1.331 46 G CA -0.320 44.995 45.100 0.358 0.000 0.891 46 G HN 0.843 nan 8.290 nan 0.000 0.539 47 W N 1.156 122.606 121.300 0.250 0.000 2.551 47 W HA 0.753 5.413 4.660 0.000 0.000 0.330 47 W C -0.465 176.243 176.519 0.315 0.000 1.063 47 W CA -0.921 56.551 57.345 0.211 0.000 1.222 47 W CB 1.432 30.970 29.460 0.129 0.000 1.349 47 W HN 0.873 nan 8.180 nan 0.000 0.536 48 M N 7.271 126.440 119.600 -0.718 0.000 2.464 48 M HA 0.250 4.730 4.480 0.000 0.000 0.308 48 M C -0.586 174.880 176.300 -1.389 0.000 1.127 48 M CA -0.358 54.550 55.300 -0.653 0.000 0.913 48 M CB 1.746 34.090 32.600 -0.426 0.000 1.689 48 M HN 0.646 nan 8.290 nan 0.000 0.445 49 N N 1.409 119.506 118.700 -1.005 0.000 2.241 49 N HA 0.266 5.006 4.740 0.000 0.000 0.124 49 N C -1.172 173.744 175.510 -0.991 0.000 1.667 49 N CA -0.427 51.570 53.050 -1.754 0.000 1.183 49 N CB -0.459 37.069 38.487 -1.599 0.000 1.254 49 N HN 0.507 nan 8.380 nan 0.000 0.290 50 D N 3.388 123.464 120.400 -0.539 0.000 2.583 50 D HA 0.133 4.774 4.640 0.000 0.000 0.232 50 D C -2.055 174.138 176.300 -0.178 0.000 1.128 50 D CA -0.116 53.759 54.000 -0.208 0.000 0.859 50 D CB -0.057 40.686 40.800 -0.094 0.000 1.169 50 D HN 0.276 nan 8.370 nan 0.000 0.481 51 P HA 0.135 nan 4.420 nan 0.000 0.275 51 P C -0.556 176.574 177.300 -0.283 0.000 1.227 51 P CA -0.396 62.587 63.100 -0.196 0.000 0.781 51 P CB 0.895 32.454 31.700 -0.234 0.000 0.906 52 N N 0.383 118.858 118.700 -0.375 0.000 2.321 52 N HA 0.363 5.103 4.740 0.000 0.000 0.290 52 N C 0.466 175.676 175.510 -0.499 0.000 1.212 52 N CA -0.204 52.461 53.050 -0.642 0.000 0.767 52 N CB 1.418 39.031 38.487 -1.457 0.000 1.494 52 N HN 0.602 nan 8.380 nan 0.000 0.479 53 G N 0.748 109.296 108.800 -0.420 0.000 2.422 53 G HA2 -0.262 3.698 3.960 0.000 0.000 0.301 53 G HA3 -0.262 3.698 3.960 0.000 0.000 0.301 53 G C -0.160 174.919 174.900 0.297 0.000 0.981 53 G CA 0.277 45.351 45.100 -0.043 0.000 0.994 53 G HN 0.465 nan 8.290 nan 0.000 0.514 54 L N -0.107 121.170 121.223 0.091 0.000 2.500 54 L HA 0.539 4.879 4.340 0.000 0.000 0.272 54 L C 0.734 177.892 176.870 0.480 0.000 1.149 54 L CA -0.273 54.596 54.840 0.050 0.000 0.897 54 L CB -0.049 41.536 42.059 -0.790 0.000 1.178 54 L HN 0.399 nan 8.230 nan 0.000 0.473 55 F N 2.804 123.096 119.950 0.571 0.000 2.662 55 F HA 0.540 5.067 4.527 0.000 0.000 0.312 55 F C -1.328 174.842 175.800 0.617 0.000 1.113 55 F CA -1.338 56.995 58.000 0.554 0.000 0.951 55 F CB 1.298 40.483 39.000 0.308 0.000 1.344 55 F HN 0.168 nan 8.300 nan 0.000 0.462 56 Y N 2.014 122.445 120.300 0.219 0.000 2.342 56 Y HA 0.421 4.971 4.550 0.000 0.000 0.334 56 Y C -0.839 175.023 175.900 -0.064 0.000 1.067 56 Y CA -0.835 57.118 58.100 -0.245 0.000 1.128 56 Y CB 1.117 39.248 38.460 -0.549 0.000 1.200 56 Y HN 0.756 nan 8.280 nan 0.000 0.464 57 D N 5.237 125.158 120.400 -0.798 0.000 2.373 57 D HA 0.188 4.828 4.640 0.000 0.000 0.227 57 D C 0.169 175.968 176.300 -0.836 0.000 1.091 57 D CA -0.109 53.608 54.000 -0.472 0.000 0.840 57 D CB 1.395 42.056 40.800 -0.232 0.000 1.060 57 D HN 0.749 nan 8.370 nan 0.000 0.502 58 K N 1.074 121.237 120.400 -0.394 0.000 2.025 58 K HA -0.091 4.229 4.320 0.000 0.000 0.207 58 K C 1.956 178.471 176.600 -0.142 0.000 1.049 58 K CA 1.669 57.831 56.287 -0.210 0.000 0.933 58 K CB 0.144 32.674 32.500 0.049 0.000 0.714 58 K HN 0.510 nan 8.250 nan 0.000 0.438 59 T N -1.030 113.473 114.554 -0.084 0.000 2.857 59 T HA -0.000 4.350 4.350 0.000 0.000 0.266 59 T C 1.963 176.625 174.700 -0.063 0.000 1.048 59 T CA 0.947 63.021 62.100 -0.042 0.000 1.139 59 T CB -0.128 68.739 68.868 -0.001 0.000 0.874 59 T HN 0.129 nan 8.240 nan 0.000 0.455 60 A N 0.610 123.370 122.820 -0.099 0.000 2.251 60 A HA 0.402 4.723 4.320 0.000 0.000 0.209 60 A C 0.936 178.432 177.584 -0.147 0.000 1.187 60 A CA 0.019 52.009 52.037 -0.079 0.000 0.823 60 A CB -0.482 18.514 19.000 -0.007 0.000 0.846 60 A HN 0.359 nan 8.150 nan 0.000 0.486 61 K N -1.889 118.353 120.400 -0.263 0.000 3.451 61 K HA -0.155 4.165 4.320 0.000 0.000 0.273 61 K C -1.117 175.300 176.600 -0.306 0.000 0.944 61 K CA 0.525 56.652 56.287 -0.266 0.000 0.734 61 K CB -1.714 30.750 32.500 -0.060 0.000 1.437 61 K HN 0.393 nan 8.250 nan 0.000 0.454 62 L N 0.315 121.182 121.223 -0.592 0.000 2.464 62 L HA 0.515 4.855 4.340 0.000 0.000 0.266 62 L C -1.081 175.557 176.870 -0.387 0.000 0.965 62 L CA -0.354 54.283 54.840 -0.338 0.000 0.833 62 L CB 1.113 43.090 42.059 -0.136 0.000 1.296 62 L HN 0.289 nan 8.230 nan 0.000 0.405 63 W N 3.091 124.363 121.300 -0.047 0.000 2.315 63 W HA 0.486 5.146 4.660 0.000 0.000 0.316 63 W C -0.166 176.355 176.519 0.004 0.000 1.211 63 W CA 0.043 57.399 57.345 0.018 0.000 1.201 63 W CB 0.627 30.023 29.460 -0.105 0.000 1.184 63 W HN 0.440 nan 8.180 nan 0.000 0.544 64 H N 2.633 121.807 119.070 0.173 0.000 2.489 64 H HA 0.518 5.074 4.556 0.000 0.000 0.343 64 H C -1.017 174.480 175.328 0.280 0.000 1.086 64 H CA -0.861 55.228 56.048 0.067 0.000 1.198 64 H CB 1.518 31.066 29.762 -0.357 0.000 1.490 64 H HN 0.267 nan 8.280 nan 0.000 0.504 65 L N 4.475 125.787 121.223 0.148 0.000 2.349 65 L HA 0.449 4.789 4.340 0.000 0.000 0.278 65 L C -1.796 174.951 176.870 -0.204 0.000 0.996 65 L CA -0.476 54.341 54.840 -0.039 0.000 0.825 65 L CB 0.286 42.107 42.059 -0.397 0.000 1.243 65 L HN 0.524 nan 8.230 nan 0.000 0.412 66 Y N 4.841 125.123 120.300 -0.030 0.000 2.621 66 Y HA 0.828 5.378 4.550 0.000 0.000 0.334 66 Y C -0.481 175.245 175.900 -0.290 0.000 1.074 66 Y CA -0.598 57.345 58.100 -0.262 0.000 1.149 66 Y CB 1.816 39.982 38.460 -0.490 0.000 1.302 66 Y HN 0.554 nan 8.280 nan 0.000 0.501 67 F N -2.203 117.571 119.950 -0.295 0.000 2.725 67 F HA 0.355 4.882 4.527 0.000 0.000 0.309 67 F C -1.491 174.216 175.800 -0.156 0.000 1.132 67 F CA -1.620 56.197 58.000 -0.305 0.000 0.957 67 F CB 0.903 39.769 39.000 -0.223 0.000 1.286 67 F HN 0.197 nan 8.300 nan 0.000 0.440 68 Q N 2.269 122.097 119.800 0.048 0.000 2.239 68 Q HA 0.052 4.392 4.340 0.000 0.000 0.286 68 Q C -1.514 174.714 176.000 0.380 0.000 1.102 68 Q CA 0.679 56.590 55.803 0.179 0.000 0.936 68 Q CB 0.373 29.190 28.738 0.133 0.000 1.127 68 Q HN 0.690 nan 8.270 nan 0.000 0.380 69 Y N 3.217 123.656 120.300 0.233 0.000 2.373 69 Y HA 0.332 4.882 4.550 0.000 0.000 0.336 69 Y C -1.141 174.949 175.900 0.317 0.000 0.979 69 Y CA -1.947 56.339 58.100 0.309 0.000 1.080 69 Y CB 1.366 39.951 38.460 0.210 0.000 1.190 69 Y HN 0.538 nan 8.280 nan 0.000 0.446 70 N N 7.724 126.502 118.700 0.131 0.000 2.479 70 N HA 0.483 5.223 4.740 0.000 0.000 0.261 70 N C -2.643 172.678 175.510 -0.315 0.000 0.979 70 N CA -2.517 50.473 53.050 -0.100 0.000 0.930 70 N CB 2.290 40.756 38.487 -0.034 0.000 1.172 70 N HN 0.281 nan 8.380 nan 0.000 0.499 71 P HA 0.115 nan 4.420 nan 0.000 0.235 71 P C 0.314 177.560 177.300 -0.091 0.000 1.177 71 P CA 0.600 63.433 63.100 -0.445 0.000 0.785 71 P CB 0.457 31.869 31.700 -0.480 0.000 0.885 72 N N -0.638 118.021 118.700 -0.068 0.000 2.373 72 N HA 0.158 4.898 4.740 0.000 0.000 0.181 72 N C 0.638 176.153 175.510 0.007 0.000 1.082 72 N CA 0.381 53.421 53.050 -0.016 0.000 0.885 72 N CB 0.473 38.951 38.487 -0.014 0.000 0.977 72 N HN 0.091 nan 8.380 nan 0.000 0.462 73 A N -0.853 121.980 122.820 0.021 0.000 2.593 73 A HA 0.459 4.779 4.320 0.000 0.000 0.290 73 A C 0.040 177.688 177.584 0.107 0.000 1.126 73 A CA -0.429 51.630 52.037 0.037 0.000 0.695 73 A CB 0.976 19.970 19.000 -0.009 0.000 1.290 73 A HN -0.066 nan 8.150 nan 0.000 0.414 74 T N 0.082 114.697 114.554 0.101 0.000 3.287 74 T HA 0.570 4.920 4.350 0.000 0.000 0.253 74 T C 0.070 174.883 174.700 0.187 0.000 0.975 74 T CA 0.962 63.165 62.100 0.171 0.000 0.912 74 T CB -1.313 67.611 68.868 0.094 0.000 1.071 74 T HN 1.586 nan 8.240 nan 0.000 0.578 75 A N 0.031 122.875 122.820 0.040 0.000 2.568 75 A HA 0.607 4.927 4.320 0.000 0.000 0.291 75 A C -1.720 175.382 177.584 -0.804 0.000 1.159 75 A CA -1.039 50.760 52.037 -0.396 0.000 0.679 75 A CB 0.290 19.150 19.000 -0.232 0.000 1.285 75 A HN 0.504 nan 8.150 nan 0.000 0.428 76 W N 0.909 121.394 121.300 -1.359 0.000 2.264 76 W HA 0.471 5.132 4.660 0.000 0.000 0.331 76 W C 0.461 176.793 176.519 -0.313 0.000 1.364 76 W CA 1.707 58.530 57.345 -0.871 0.000 1.253 76 W CB 0.609 29.827 29.460 -0.404 0.000 1.215 76 W HN 0.905 nan 8.180 nan 0.000 0.561 77 G N 4.374 112.632 108.800 -0.904 0.000 2.566 77 G HA2 0.224 4.184 3.960 0.000 0.000 0.311 77 G HA3 0.224 4.184 3.960 0.000 0.000 0.311 77 G C -0.152 174.240 174.900 -0.847 0.000 1.322 77 G CA -0.521 44.200 45.100 -0.632 0.000 0.969 77 G HN 0.627 nan 8.290 nan 0.000 0.490 78 Q N 0.635 120.149 119.800 -0.478 0.000 2.014 78 Q HA -0.083 4.257 4.340 0.000 0.000 0.207 78 Q C -1.399 174.425 176.000 -0.294 0.000 0.993 78 Q CA 1.434 57.040 55.803 -0.328 0.000 0.850 78 Q CB -0.750 27.917 28.738 -0.119 0.000 0.916 78 Q HN 0.404 nan 8.270 nan 0.000 0.417 79 P HA 0.133 nan 4.420 nan 0.000 0.284 79 P C -1.270 175.721 177.300 -0.515 0.000 1.343 79 P CA 0.087 62.994 63.100 -0.323 0.000 0.826 79 P CB 0.555 32.136 31.700 -0.199 0.000 0.956 80 L N 5.742 126.644 121.223 -0.536 0.000 2.341 80 L HA 0.544 4.884 4.340 0.000 0.000 0.278 80 L C -1.026 175.614 176.870 -0.384 0.000 1.005 80 L CA -0.693 53.919 54.840 -0.380 0.000 0.818 80 L CB 0.891 42.846 42.059 -0.174 0.000 1.259 80 L HN 0.220 nan 8.230 nan 0.000 0.418 81 Y N 1.783 122.125 120.300 0.069 0.000 2.630 81 Y HA 0.458 5.008 4.550 0.000 0.000 0.337 81 Y C -1.030 175.038 175.900 0.280 0.000 1.051 81 Y CA -0.419 57.754 58.100 0.122 0.000 1.121 81 Y CB 1.107 39.621 38.460 0.091 0.000 1.299 81 Y HN 0.449 nan 8.280 nan 0.000 0.498 82 W N 1.872 123.222 121.300 0.084 0.000 2.342 82 W HA 0.544 5.204 4.660 0.000 0.000 0.310 82 W C 0.491 176.951 176.519 -0.099 0.000 1.128 82 W CA -1.143 56.168 57.345 -0.056 0.000 1.322 82 W CB 0.695 30.054 29.460 -0.169 0.000 1.251 82 W HN 0.607 nan 8.180 nan 0.000 0.439 83 G N 1.833 110.388 108.800 -0.407 0.000 2.651 83 G HA2 0.252 4.212 3.960 0.000 0.000 0.260 83 G HA3 0.252 4.212 3.960 0.000 0.000 0.260 83 G C -1.244 173.238 174.900 -0.698 0.000 1.216 83 G CA -0.280 44.260 45.100 -0.933 0.000 0.913 83 G HN 0.603 nan 8.290 nan 0.000 0.535 84 H N -1.009 117.783 119.070 -0.462 0.000 3.042 84 H HA 0.523 5.079 4.556 0.000 0.000 0.345 84 H C -1.036 174.270 175.328 -0.037 0.000 1.052 84 H CA -0.491 55.403 56.048 -0.257 0.000 1.311 84 H CB 1.602 31.328 29.762 -0.059 0.000 1.810 84 H HN 0.790 nan 8.280 nan 0.000 0.505 85 A N 3.194 125.803 122.820 -0.353 0.000 2.498 85 A HA 0.657 4.977 4.320 0.000 0.000 0.298 85 A C -0.566 176.898 177.584 -0.201 0.000 1.075 85 A CA -0.426 51.439 52.037 -0.287 0.000 0.714 85 A CB 1.850 20.529 19.000 -0.535 0.000 1.299 85 A HN 0.662 nan 8.150 nan 0.000 0.407 86 T N -1.549 113.023 114.554 0.031 0.000 2.916 86 T HA 0.832 5.182 4.350 0.000 0.000 0.292 86 T C -0.314 174.379 174.700 -0.012 0.000 1.055 86 T CA -0.534 61.541 62.100 -0.041 0.000 1.009 86 T CB 1.659 70.405 68.868 -0.202 0.000 1.118 86 T HN 1.495 nan 8.240 nan 0.000 0.497 87 S N 0.216 115.788 115.700 -0.214 0.000 2.550 87 S HA 0.431 4.901 4.470 0.000 0.000 0.270 87 S C -0.073 174.463 174.600 -0.107 0.000 1.145 87 S CA -0.671 57.261 58.200 -0.447 0.000 0.852 87 S CB 1.386 63.734 63.200 -1.419 0.000 1.119 87 S HN 0.927 nan 8.310 nan 0.000 0.465 88 N N 1.722 120.378 118.700 -0.073 0.000 2.254 88 N HA 0.085 4.826 4.740 0.000 0.000 0.190 88 N C 0.072 175.674 175.510 0.153 0.000 1.107 88 N CA 0.501 53.598 53.050 0.080 0.000 0.869 88 N CB 0.124 38.614 38.487 0.005 0.000 0.983 88 N HN 0.716 nan 8.380 nan 0.000 0.487 89 D N -0.392 119.995 120.400 -0.022 0.000 2.497 89 D HA 0.114 4.754 4.640 0.000 0.000 0.256 89 D C 0.760 176.865 176.300 -0.325 0.000 1.273 89 D CA -0.336 53.612 54.000 -0.087 0.000 0.812 89 D CB -0.218 40.560 40.800 -0.037 0.000 1.190 89 D HN 0.084 nan 8.370 nan 0.000 0.524 90 L N -0.104 120.777 121.223 -0.570 0.000 4.759 90 L HA -0.236 4.104 4.340 0.000 0.000 0.419 90 L C 0.888 177.514 176.870 -0.407 0.000 1.093 90 L CA 0.883 55.326 54.840 -0.662 0.000 1.037 90 L CB -1.718 39.930 42.059 -0.685 0.000 2.095 90 L HN 0.295 nan 8.230 nan 0.000 0.739 91 V N -6.373 113.256 119.914 -0.476 0.000 3.426 91 V HA 0.294 4.414 4.120 0.000 0.000 0.279 91 V C 0.618 176.379 176.094 -0.556 0.000 1.544 91 V CA 0.079 62.152 62.300 -0.378 0.000 1.017 91 V CB 0.373 31.972 31.823 -0.374 0.000 0.821 91 V HN 0.386 nan 8.190 nan 0.000 0.432 92 H N -0.198 118.598 119.070 -0.458 0.000 2.539 92 H HA 0.657 5.213 4.556 0.000 0.000 0.332 92 H C -1.660 173.390 175.328 -0.464 0.000 1.031 92 H CA -0.278 55.588 56.048 -0.304 0.000 1.206 92 H CB 1.028 30.669 29.762 -0.203 0.000 1.446 92 H HN 0.448 nan 8.280 nan 0.000 0.496 93 W N 2.416 123.764 121.300 0.081 0.000 2.632 93 W HA 0.343 5.003 4.660 0.000 0.000 0.328 93 W C -0.758 175.760 176.519 -0.002 0.000 1.044 93 W CA -0.727 56.644 57.345 0.044 0.000 1.225 93 W CB 1.427 30.977 29.460 0.150 0.000 1.396 93 W HN 0.468 nan 8.180 nan 0.000 0.499 94 D N 2.199 122.680 120.400 0.136 0.000 2.233 94 D HA 0.098 4.738 4.640 0.000 0.000 0.240 94 D C -0.752 175.359 176.300 -0.315 0.000 1.074 94 D CA -0.573 53.366 54.000 -0.102 0.000 0.838 94 D CB 1.889 42.575 40.800 -0.190 0.000 1.124 94 D HN 0.435 nan 8.370 nan 0.000 0.475 95 E N 2.293 122.355 120.200 -0.232 0.000 2.229 95 E HA 0.119 4.470 4.350 0.000 0.000 0.283 95 E C -0.267 176.120 176.600 -0.355 0.000 1.030 95 E CA -0.437 55.859 56.400 -0.174 0.000 0.836 95 E CB 0.611 30.332 29.700 0.035 0.000 1.068 95 E HN 0.421 nan 8.360 nan 0.000 0.401 96 H N 2.275 121.354 119.070 0.015 0.000 2.748 96 H HA 0.248 4.805 4.556 0.000 0.000 0.315 96 H C -0.340 175.063 175.328 0.126 0.000 1.429 96 H CA -0.830 55.264 56.048 0.076 0.000 1.444 96 H CB 0.629 30.465 29.762 0.123 0.000 1.827 96 H HN 0.498 nan 8.280 nan 0.000 0.754 97 E N 0.591 120.978 120.200 0.311 0.000 2.392 97 E HA 0.119 4.469 4.350 0.000 0.000 0.259 97 E C 0.225 176.976 176.600 0.251 0.000 1.108 97 E CA -0.581 55.952 56.400 0.222 0.000 0.916 97 E CB 0.507 30.312 29.700 0.175 0.000 0.989 97 E HN 0.233 nan 8.360 nan 0.000 0.432 98 I N 1.826 122.501 120.570 0.174 0.000 3.076 98 I HA -0.226 3.944 4.170 0.000 0.000 0.321 98 I C 1.156 177.413 176.117 0.234 0.000 1.216 98 I CA 0.736 62.137 61.300 0.168 0.000 1.460 98 I CB -0.492 37.510 38.000 0.004 0.000 1.313 98 I HN 0.771 nan 8.210 nan 0.000 0.546 99 A N 7.783 130.779 122.820 0.293 0.000 1.911 99 A HA 0.273 4.593 4.320 0.000 0.000 0.212 99 A C 0.910 178.577 177.584 0.138 0.000 1.189 99 A CA 0.764 53.004 52.037 0.338 0.000 0.639 99 A CB 0.158 19.450 19.000 0.488 0.000 0.839 99 A HN 0.653 nan 8.150 nan 0.000 0.449 100 I N -1.265 119.299 120.570 -0.009 0.000 2.619 100 I HA 0.580 4.750 4.170 0.000 0.000 0.292 100 I C 0.066 176.167 176.117 -0.025 0.000 1.100 100 I CA -0.735 60.429 61.300 -0.226 0.000 1.043 100 I CB 2.310 39.822 38.000 -0.812 0.000 1.239 100 I HN 0.173 nan 8.210 nan 0.000 0.420 101 G N 4.434 113.231 108.800 -0.005 0.000 2.537 101 G HA2 0.820 4.780 3.960 0.000 0.000 0.308 101 G HA3 0.820 4.780 3.960 0.000 0.000 0.308 101 G C -3.081 171.744 174.900 -0.124 0.000 1.237 101 G CA -1.471 43.692 45.100 0.105 0.000 0.968 101 G HN 0.301 nan 8.290 nan 0.000 0.481 102 P HA 0.288 nan 4.420 nan 0.000 0.282 102 P C 0.309 177.518 177.300 -0.152 0.000 1.259 102 P CA -0.371 62.621 63.100 -0.181 0.000 0.826 102 P CB 2.415 33.988 31.700 -0.212 0.000 1.064 103 E N -0.243 119.859 120.200 -0.163 0.000 2.153 103 E HA -0.140 4.210 4.350 0.000 0.000 0.194 103 E C -0.106 176.171 176.600 -0.537 0.000 0.988 103 E CA 1.267 57.482 56.400 -0.307 0.000 0.811 103 E CB -0.032 29.495 29.700 -0.288 0.000 0.746 103 E HN 0.603 nan 8.360 nan 0.000 0.466 104 H N -1.645 117.388 119.070 -0.062 0.000 2.895 104 H HA 0.104 4.660 4.556 0.000 0.000 0.373 104 H C -0.324 174.959 175.328 -0.076 0.000 1.174 104 H CA -0.771 55.245 56.048 -0.054 0.000 1.144 104 H CB 1.542 31.276 29.762 -0.046 0.000 1.793 104 H HN -0.167 nan 8.280 nan 0.000 0.551 105 D N 0.045 120.488 120.400 0.070 0.000 2.354 105 D HA -0.168 4.472 4.640 0.000 0.000 0.216 105 D C 1.372 177.666 176.300 -0.010 0.000 0.970 105 D CA 0.901 54.900 54.000 -0.001 0.000 0.905 105 D CB -0.001 40.806 40.800 0.011 0.000 0.903 105 D HN 0.556 nan 8.370 nan 0.000 0.508 106 N N -0.573 118.146 118.700 0.032 0.000 2.244 106 N HA -0.126 4.614 4.740 0.000 0.000 0.183 106 N C 0.692 176.197 175.510 -0.007 0.000 1.016 106 N CA 0.789 53.841 53.050 0.003 0.000 0.866 106 N CB 0.438 38.913 38.487 -0.019 0.000 0.980 106 N HN -0.011 nan 8.380 nan 0.000 0.430 107 E N -1.986 118.203 120.200 -0.019 0.000 1.933 107 E HA 0.469 4.819 4.350 0.000 0.000 0.195 107 E C -1.058 175.494 176.600 -0.081 0.000 1.449 107 E CA -0.384 55.995 56.400 -0.034 0.000 0.963 107 E CB 0.680 30.363 29.700 -0.028 0.000 1.872 107 E HN 0.169 nan 8.360 nan 0.000 0.557 108 G N -0.006 108.765 108.800 -0.048 0.000 2.866 108 G HA2 0.545 4.505 3.960 0.000 0.000 0.289 108 G HA3 0.545 4.505 3.960 0.000 0.000 0.289 108 G C -1.144 173.784 174.900 0.046 0.000 1.396 108 G CA -0.545 44.537 45.100 -0.029 0.000 0.848 108 G HN 0.191 nan 8.290 nan 0.000 0.515 109 I N 1.864 122.478 120.570 0.072 0.000 2.281 109 I HA 0.332 4.502 4.170 0.000 0.000 0.293 109 I C -0.300 176.089 176.117 0.455 0.000 1.085 109 I CA -0.631 60.704 61.300 0.058 0.000 1.257 109 I CB -0.222 37.571 38.000 -0.345 0.000 1.430 109 I HN 0.105 nan 8.210 nan 0.000 0.489 110 F N 3.114 123.185 119.950 0.202 0.000 2.239 110 F HA 0.234 4.761 4.527 0.000 0.000 0.288 110 F C 1.651 177.693 175.800 0.403 0.000 1.225 110 F CA -0.708 57.464 58.000 0.288 0.000 1.162 110 F CB 0.131 39.260 39.000 0.215 0.000 1.484 110 F HN 0.275 nan 8.300 nan 0.000 0.512 111 S N -0.590 115.378 115.700 0.447 0.000 2.566 111 S HA 0.489 4.959 4.470 0.000 0.000 0.280 111 S C 0.359 175.192 174.600 0.389 0.000 1.343 111 S CA 0.399 58.786 58.200 0.312 0.000 1.036 111 S CB 0.365 63.639 63.200 0.124 0.000 0.866 111 S HN 0.933 nan 8.310 nan 0.000 0.526 112 G N 0.500 109.533 108.800 0.388 0.000 2.489 112 G HA2 0.585 4.545 3.960 0.000 0.000 0.305 112 G HA3 0.585 4.545 3.960 0.000 0.000 0.305 112 G C -1.197 173.865 174.900 0.269 0.000 1.311 112 G CA -0.241 45.101 45.100 0.403 0.000 0.813 112 G HN 0.933 nan 8.290 nan 0.000 0.480 113 S N -1.565 114.291 115.700 0.260 0.000 2.704 113 S HA 0.860 5.330 4.470 0.000 0.000 0.296 113 S C -0.879 173.849 174.600 0.213 0.000 1.138 113 S CA -0.826 57.480 58.200 0.176 0.000 0.875 113 S CB 1.941 65.217 63.200 0.127 0.000 1.151 113 S HN 0.708 nan 8.310 nan 0.000 0.500 114 I N 1.134 121.806 120.570 0.170 0.000 2.569 114 I HA 0.617 4.787 4.170 0.000 0.000 0.296 114 I C -0.870 175.310 176.117 0.104 0.000 1.028 114 I CA -1.088 60.266 61.300 0.090 0.000 1.082 114 I CB 2.211 40.219 38.000 0.013 0.000 1.264 114 I HN 0.749 nan 8.210 nan 0.000 0.429 115 V N 3.352 123.284 119.914 0.030 0.000 3.074 115 V HA 0.635 4.755 4.120 0.000 0.000 0.314 115 V C -0.690 175.382 176.094 -0.036 0.000 1.117 115 V CA -0.763 61.601 62.300 0.106 0.000 1.014 115 V CB 1.934 33.881 31.823 0.207 0.000 1.057 115 V HN 0.354 nan 8.190 nan 0.000 0.438 116 V N 1.693 121.624 119.914 0.030 0.000 2.347 116 V HA 0.363 4.483 4.120 0.000 0.000 0.280 116 V C -0.215 175.802 176.094 -0.127 0.000 1.021 116 V CA 0.072 62.265 62.300 -0.178 0.000 0.847 116 V CB 1.069 32.691 31.823 -0.335 0.000 0.990 116 V HN 1.036 nan 8.190 nan 0.000 0.444 117 D N 3.263 123.610 120.400 -0.088 0.000 2.713 117 D HA 0.114 4.754 4.640 0.000 0.000 0.229 117 D C 1.491 177.756 176.300 -0.058 0.000 1.136 117 D CA -0.051 53.985 54.000 0.061 0.000 1.010 117 D CB 0.020 40.806 40.800 -0.023 0.000 1.084 117 D HN 0.607 nan 8.370 nan 0.000 0.495 118 H N 0.632 119.697 119.070 -0.008 0.000 2.357 118 H HA -0.148 4.408 4.556 0.000 0.000 0.296 118 H C 0.707 175.941 175.328 -0.157 0.000 1.108 118 H CA 0.947 56.949 56.048 -0.078 0.000 1.273 118 H CB 0.213 29.918 29.762 -0.096 0.000 1.367 118 H HN 0.296 nan 8.280 nan 0.000 0.498 119 N N 0.923 119.580 118.700 -0.071 0.000 2.327 119 N HA -0.047 4.693 4.740 0.000 0.000 0.231 119 N C -0.078 175.300 175.510 -0.220 0.000 1.130 119 N CA -0.046 52.894 53.050 -0.182 0.000 0.845 119 N CB -0.354 37.997 38.487 -0.227 0.000 1.073 119 N HN 0.262 nan 8.380 nan 0.000 0.496 120 N N 0.404 118.971 118.700 -0.223 0.000 2.707 120 N HA -0.211 4.529 4.740 0.000 0.000 0.253 120 N C 0.748 176.119 175.510 -0.231 0.000 0.998 120 N CA 1.038 53.933 53.050 -0.259 0.000 0.751 120 N CB -0.978 37.267 38.487 -0.405 0.000 0.920 120 N HN 0.395 nan 8.380 nan 0.000 0.539 121 T N -4.844 109.624 114.554 -0.144 0.000 3.072 121 T HA -0.064 4.286 4.350 0.000 0.000 0.266 121 T C 1.692 176.260 174.700 -0.219 0.000 1.127 121 T CA 1.170 63.210 62.100 -0.099 0.000 1.107 121 T CB -0.273 68.666 68.868 0.118 0.000 0.910 121 T HN 0.399 nan 8.240 nan 0.000 0.513 122 S N 0.420 115.889 115.700 -0.385 0.000 2.492 122 S HA 0.445 4.915 4.470 0.000 0.000 0.218 122 S C 1.754 175.725 174.600 -1.048 0.000 1.016 122 S CA 0.241 58.012 58.200 -0.715 0.000 0.916 122 S CB -0.491 62.228 63.200 -0.803 0.000 0.791 122 S HN 1.268 nan 8.310 nan 0.000 0.513 123 G N 1.203 109.557 108.800 -0.743 0.000 2.248 123 G HA2 -0.177 3.783 3.960 0.000 0.000 0.263 123 G HA3 -0.177 3.783 3.960 0.000 0.000 0.263 123 G C -0.477 174.063 174.900 -0.601 0.000 1.082 123 G CA -0.093 44.678 45.100 -0.548 0.000 0.863 123 G HN 0.458 nan 8.290 nan 0.000 0.495 124 F N -0.321 119.489 119.950 -0.233 0.000 2.445 124 F HA 0.733 5.260 4.527 0.000 0.000 0.348 124 F C -0.056 175.707 175.800 -0.061 0.000 1.125 124 F CA -2.455 55.333 58.000 -0.353 0.000 0.983 124 F CB 1.482 39.933 39.000 -0.914 0.000 1.198 124 F HN 0.233 nan 8.300 nan 0.000 0.436 125 F N 3.638 123.568 119.950 -0.033 0.000 3.572 125 F HA 0.248 4.775 4.527 0.000 0.000 0.375 125 F C 0.293 176.086 175.800 -0.010 0.000 1.152 125 F CA -0.675 57.309 58.000 -0.026 0.000 1.445 125 F CB 0.276 39.243 39.000 -0.055 0.000 1.917 125 F HN 0.319 nan 8.300 nan 0.000 0.797 126 N N 2.222 120.734 118.700 -0.314 0.000 2.036 126 N HA -0.172 4.568 4.740 0.000 0.000 0.195 126 N C 1.366 176.509 175.510 -0.613 0.000 1.037 126 N CA 2.733 55.588 53.050 -0.325 0.000 0.855 126 N CB 0.340 38.711 38.487 -0.194 0.000 1.033 126 N HN 0.929 nan 8.380 nan 0.000 0.423 127 S N -4.649 110.395 115.700 -1.095 0.000 2.733 127 S HA -0.074 4.396 4.470 0.000 0.000 0.102 127 S C 0.372 174.510 174.600 -0.771 0.000 0.641 127 S CA 0.342 57.694 58.200 -1.413 0.000 1.568 127 S CB -1.545 61.343 63.200 -0.520 0.000 0.857 127 S HN 0.327 nan 8.310 nan 0.000 0.521 128 S N 1.647 117.104 115.700 -0.406 0.000 2.661 128 S HA 0.549 5.019 4.470 0.000 0.000 0.245 128 S C -0.116 174.450 174.600 -0.057 0.000 1.117 128 S CA -0.595 57.533 58.200 -0.120 0.000 1.091 128 S CB -0.260 62.899 63.200 -0.069 0.000 0.887 128 S HN 0.428 nan 8.310 nan 0.000 0.491 129 I N 3.221 123.756 120.570 -0.058 0.000 2.294 129 I HA 0.243 4.413 4.170 0.000 0.000 0.295 129 I C 0.559 176.784 176.117 0.181 0.000 1.098 129 I CA -0.436 60.909 61.300 0.075 0.000 1.277 129 I CB -0.387 37.676 38.000 0.104 0.000 1.434 129 I HN 0.367 nan 8.210 nan 0.000 0.498 130 D N 9.716 130.184 120.400 0.112 0.000 2.586 130 D HA -0.005 4.635 4.640 0.000 0.000 0.234 130 D C -2.275 174.087 176.300 0.102 0.000 1.132 130 D CA -0.485 53.578 54.000 0.106 0.000 0.860 130 D CB 0.661 41.502 40.800 0.068 0.000 1.159 130 D HN 0.200 nan 8.370 nan 0.000 0.490 131 P HA 0.052 nan 4.420 nan 0.000 0.268 131 P C 0.056 177.419 177.300 0.105 0.000 1.208 131 P CA 0.354 63.506 63.100 0.087 0.000 0.777 131 P CB 0.192 31.951 31.700 0.098 0.000 0.875 132 N N 0.294 119.036 118.700 0.069 0.000 2.713 132 N HA -0.331 4.409 4.740 0.000 0.000 0.251 132 N C 0.273 175.783 175.510 0.001 0.000 1.117 132 N CA 0.898 53.961 53.050 0.022 0.000 0.770 132 N CB -1.478 37.168 38.487 0.266 0.000 1.137 132 N HN 0.581 nan 8.380 nan 0.000 0.566 133 Q N -0.248 119.543 119.800 -0.015 0.000 2.081 133 Q HA 0.184 4.524 4.340 0.000 0.000 0.220 133 Q C -0.122 175.857 176.000 -0.035 0.000 0.775 133 Q CA -0.497 55.304 55.803 -0.003 0.000 0.983 133 Q CB 0.568 29.328 28.738 0.036 0.000 1.188 133 Q HN 0.309 nan 8.270 nan 0.000 0.458 134 R N 1.600 122.067 120.500 -0.056 0.000 2.609 134 R HA 0.253 4.593 4.340 0.000 0.000 0.271 134 R C -1.242 174.999 176.300 -0.098 0.000 1.403 134 R CA 0.265 56.343 56.100 -0.036 0.000 1.138 134 R CB -0.647 29.636 30.300 -0.029 0.000 1.142 134 R HN 0.129 nan 8.270 nan 0.000 0.559 135 I N 4.075 124.585 120.570 -0.100 0.000 2.336 135 I HA 0.277 4.447 4.170 0.000 0.000 0.292 135 I C -0.569 175.528 176.117 -0.033 0.000 0.991 135 I CA -0.862 60.320 61.300 -0.196 0.000 1.227 135 I CB 1.834 39.620 38.000 -0.357 0.000 1.366 135 I HN 0.136 nan 8.210 nan 0.000 0.466 136 V N 5.728 125.620 119.914 -0.036 0.000 2.487 136 V HA 0.663 4.783 4.120 0.000 0.000 0.298 136 V C 0.087 176.201 176.094 0.034 0.000 1.028 136 V CA -0.665 61.676 62.300 0.069 0.000 0.860 136 V CB 1.711 33.538 31.823 0.007 0.000 0.991 136 V HN 0.800 nan 8.190 nan 0.000 0.427 137 A N 5.815 128.679 122.820 0.073 0.000 2.276 137 A HA 0.884 5.204 4.320 0.000 0.000 0.316 137 A C -0.828 176.739 177.584 -0.028 0.000 1.229 137 A CA -0.330 51.669 52.037 -0.062 0.000 0.851 137 A CB 0.349 19.056 19.000 -0.489 0.000 1.165 137 A HN 0.695 nan 8.150 nan 0.000 0.513 138 I N 3.350 123.923 120.570 0.005 0.000 2.362 138 I HA 0.530 4.700 4.170 0.000 0.000 0.289 138 I C -0.439 175.677 176.117 -0.002 0.000 0.994 138 I CA -0.232 61.020 61.300 -0.079 0.000 1.158 138 I CB 0.971 38.922 38.000 -0.081 0.000 1.315 138 I HN 0.658 nan 8.210 nan 0.000 0.451 139 Y N 1.713 121.910 120.300 -0.173 0.000 2.625 139 Y HA 0.759 5.309 4.550 0.000 0.000 0.338 139 Y C -0.624 175.205 175.900 -0.118 0.000 1.123 139 Y CA -1.332 56.700 58.100 -0.115 0.000 1.046 139 Y CB 0.773 39.029 38.460 -0.340 0.000 1.299 139 Y HN 0.300 nan 8.280 nan 0.000 0.464 140 T N 2.683 117.331 114.554 0.156 0.000 2.780 140 T HA 0.210 4.560 4.350 0.000 0.000 0.294 140 T C -0.681 174.112 174.700 0.155 0.000 0.949 140 T CA -0.391 61.742 62.100 0.055 0.000 1.074 140 T CB 0.096 69.022 68.868 0.097 0.000 0.910 140 T HN 0.603 nan 8.240 nan 0.000 0.501 141 N N 3.252 121.952 118.700 -0.000 0.000 2.457 141 N HA 0.164 4.904 4.740 0.000 0.000 0.250 141 N C -0.788 174.622 175.510 -0.167 0.000 0.982 141 N CA -0.573 52.475 53.050 -0.003 0.000 0.941 141 N CB 0.451 38.944 38.487 0.010 0.000 1.120 141 N HN 0.396 nan 8.380 nan 0.000 0.505 142 N N 3.636 122.125 118.700 -0.352 0.000 2.420 142 N HA 0.361 5.101 4.740 0.000 0.000 0.249 142 N C -1.091 174.258 175.510 -0.268 0.000 1.033 142 N CA -0.253 52.480 53.050 -0.530 0.000 0.944 142 N CB 0.283 37.943 38.487 -1.379 0.000 1.113 142 N HN 0.490 nan 8.380 nan 0.000 0.502 143 I N 3.384 123.854 120.570 -0.166 0.000 2.750 143 I HA 0.450 4.620 4.170 0.000 0.000 0.308 143 I C -1.991 174.082 176.117 -0.072 0.000 1.016 143 I CA -2.647 58.600 61.300 -0.088 0.000 1.098 143 I CB 1.865 39.831 38.000 -0.057 0.000 1.279 143 I HN 0.364 nan 8.210 nan 0.000 0.454 144 P HA 0.001 nan 4.420 nan 0.000 0.260 144 P C -0.624 176.656 177.300 -0.033 0.000 1.185 144 P CA 0.667 63.748 63.100 -0.032 0.000 0.763 144 P CB 0.131 31.811 31.700 -0.032 0.000 0.776 145 D N -0.076 120.309 120.400 -0.026 0.000 3.079 145 D HA -0.203 4.437 4.640 0.000 0.000 0.214 145 D C -0.052 176.232 176.300 -0.026 0.000 1.145 145 D CA 1.289 55.275 54.000 -0.023 0.000 0.958 145 D CB -1.550 39.237 40.800 -0.023 0.000 1.117 145 D HN 0.447 nan 8.370 nan 0.000 0.416 146 N N 0.206 118.885 118.700 -0.034 0.000 2.455 146 N HA 0.212 4.952 4.740 0.000 0.000 0.285 146 N C -1.682 173.802 175.510 -0.043 0.000 1.080 146 N CA -0.272 52.760 53.050 -0.030 0.000 0.932 146 N CB 1.311 39.779 38.487 -0.032 0.000 1.610 146 N HN -0.076 nan 8.380 nan 0.000 0.493 147 Q N 1.369 121.170 119.800 0.001 0.000 2.331 147 Q HA 0.591 4.931 4.340 0.000 0.000 0.267 147 Q C -0.719 175.348 176.000 0.112 0.000 1.006 147 Q CA -0.797 55.011 55.803 0.008 0.000 0.818 147 Q CB 2.069 30.828 28.738 0.035 0.000 1.276 147 Q HN 0.718 nan 8.270 nan 0.000 0.450 148 T N -1.162 113.413 114.554 0.035 0.000 2.887 148 T HA 0.471 4.821 4.350 0.000 0.000 0.292 148 T C -0.632 174.017 174.700 -0.085 0.000 1.087 148 T CA -1.082 61.051 62.100 0.055 0.000 1.009 148 T CB 1.716 70.580 68.868 -0.007 0.000 1.203 148 T HN 0.234 nan 8.240 nan 0.000 0.518 149 Q N 1.573 121.293 119.800 -0.133 0.000 2.347 149 Q HA 0.589 4.929 4.340 0.000 0.000 0.262 149 Q C -1.294 174.502 176.000 -0.340 0.000 0.980 149 Q CA -0.383 55.231 55.803 -0.315 0.000 0.867 149 Q CB 1.412 29.888 28.738 -0.437 0.000 1.242 149 Q HN 0.670 nan 8.270 nan 0.000 0.453 150 D N 1.554 121.616 120.400 -0.563 0.000 2.423 150 D HA 0.657 5.297 4.640 0.000 0.000 0.235 150 D C 0.006 175.829 176.300 -0.795 0.000 1.011 150 D CA -0.538 53.096 54.000 -0.610 0.000 0.963 150 D CB 1.658 42.057 40.800 -0.668 0.000 1.349 150 D HN 0.493 nan 8.370 nan 0.000 0.508 151 I N -2.433 117.917 120.570 -0.366 0.000 2.785 151 I HA 0.939 5.109 4.170 0.000 0.000 0.302 151 I C -1.167 174.977 176.117 0.044 0.000 1.069 151 I CA -1.096 60.102 61.300 -0.171 0.000 1.045 151 I CB 2.281 40.270 38.000 -0.018 0.000 1.236 151 I HN 0.385 nan 8.210 nan 0.000 0.429 152 A N 3.789 126.675 122.820 0.109 0.000 2.572 152 A HA 0.860 5.180 4.320 0.000 0.000 0.295 152 A C -1.317 176.392 177.584 0.209 0.000 1.072 152 A CA -0.555 51.547 52.037 0.108 0.000 0.691 152 A CB 1.554 20.580 19.000 0.043 0.000 1.291 152 A HN 0.897 nan 8.150 nan 0.000 0.404 153 F N -0.034 119.929 119.950 0.022 0.000 2.563 153 F HA 0.860 5.387 4.527 0.000 0.000 0.316 153 F C -0.144 175.552 175.800 -0.174 0.000 1.076 153 F CA -0.885 57.087 58.000 -0.048 0.000 0.921 153 F CB 1.934 40.772 39.000 -0.271 0.000 1.209 153 F HN 0.474 nan 8.300 nan 0.000 0.462 154 S N 3.199 118.753 115.700 -0.242 0.000 2.473 154 S HA 0.588 5.058 4.470 0.000 0.000 0.307 154 S C -0.038 174.467 174.600 -0.159 0.000 1.094 154 S CA -0.733 57.128 58.200 -0.565 0.000 1.070 154 S CB 1.068 63.538 63.200 -1.217 0.000 1.019 154 S HN 0.848 nan 8.310 nan 0.000 0.480 155 L N 3.154 124.323 121.223 -0.090 0.000 2.664 155 L HA 0.295 4.635 4.340 0.000 0.000 0.233 155 L C 0.853 177.723 176.870 0.001 0.000 1.113 155 L CA 0.067 54.917 54.840 0.017 0.000 0.896 155 L CB 0.086 42.189 42.059 0.074 0.000 1.163 155 L HN 0.651 nan 8.230 nan 0.000 0.497 156 D N -0.759 119.631 120.400 -0.017 0.000 2.402 156 D HA 0.148 4.788 4.640 0.000 0.000 0.216 156 D C 1.212 177.634 176.300 0.204 0.000 1.128 156 D CA 0.399 54.437 54.000 0.064 0.000 0.833 156 D CB 0.701 41.534 40.800 0.055 0.000 0.971 156 D HN 0.121 nan 8.370 nan 0.000 0.503 157 G N -0.435 108.441 108.800 0.128 0.000 2.138 157 G HA2 0.065 4.025 3.960 0.000 0.000 0.193 157 G HA3 0.065 4.025 3.960 0.000 0.000 0.193 157 G C 0.957 175.890 174.900 0.056 0.000 0.998 157 G CA 0.016 45.227 45.100 0.185 0.000 0.668 157 G HN 1.296 nan 8.290 nan 0.000 0.516 158 G N -1.910 106.820 108.800 -0.118 0.000 2.164 158 G HA2 -0.142 3.818 3.960 0.000 0.000 0.212 158 G HA3 -0.142 3.818 3.960 0.000 0.000 0.212 158 G C 0.453 175.218 174.900 -0.224 0.000 1.031 158 G CA 0.813 45.793 45.100 -0.200 0.000 0.730 158 G HN 1.064 nan 8.290 nan 0.000 0.501 159 Y N 0.228 120.534 120.300 0.010 0.000 2.609 159 Y HA 0.325 4.875 4.550 0.000 0.000 0.281 159 Y C 1.921 177.884 175.900 0.106 0.000 1.132 159 Y CA 1.005 59.194 58.100 0.148 0.000 1.264 159 Y CB 0.437 38.959 38.460 0.104 0.000 1.325 159 Y HN 0.483 nan 8.280 nan 0.000 0.514 160 T N -1.631 112.962 114.554 0.065 0.000 2.912 160 T HA 0.646 4.996 4.350 0.000 0.000 0.288 160 T C -1.030 173.497 174.700 -0.288 0.000 1.030 160 T CA -0.569 61.538 62.100 0.011 0.000 1.020 160 T CB 1.781 70.652 68.868 0.005 0.000 1.056 160 T HN -0.105 nan 8.240 nan 0.000 0.480 161 F N 0.204 120.065 119.950 -0.148 0.000 2.577 161 F HA 0.627 5.154 4.527 0.000 0.000 0.318 161 F C 0.324 175.888 175.800 -0.393 0.000 1.065 161 F CA -0.741 57.086 58.000 -0.289 0.000 0.929 161 F CB 2.810 41.632 39.000 -0.295 0.000 1.237 161 F HN 0.632 nan 8.300 nan 0.000 0.468 162 T N 1.819 116.065 114.554 -0.514 0.000 2.792 162 T HA 0.360 4.711 4.350 0.000 0.000 0.280 162 T C -0.557 173.834 174.700 -0.514 0.000 0.990 162 T CA -1.071 60.653 62.100 -0.626 0.000 0.960 162 T CB 1.117 69.382 68.868 -1.004 0.000 0.939 162 T HN 0.322 nan 8.240 nan 0.000 0.439 163 K N 1.924 122.193 120.400 -0.219 0.000 2.270 163 K HA 0.196 4.516 4.320 0.000 0.000 0.276 163 K C -0.444 176.173 176.600 0.028 0.000 1.023 163 K CA -0.644 55.609 56.287 -0.056 0.000 0.955 163 K CB 0.562 33.050 32.500 -0.020 0.000 0.975 163 K HN 0.577 nan 8.250 nan 0.000 0.471 164 Y N 2.883 123.179 120.300 -0.008 0.000 2.465 164 Y HA -0.068 4.482 4.550 0.000 0.000 0.331 164 Y C 1.011 176.943 175.900 0.053 0.000 1.102 164 Y CA 0.033 58.173 58.100 0.066 0.000 1.358 164 Y CB 0.412 38.948 38.460 0.126 0.000 1.213 164 Y HN 0.715 nan 8.280 nan 0.000 0.525 165 E N 2.783 122.757 120.200 -0.377 0.000 2.108 165 E HA -0.301 4.049 4.350 0.000 0.000 0.203 165 E C 0.414 176.717 176.600 -0.494 0.000 1.022 165 E CA 1.771 57.946 56.400 -0.375 0.000 0.823 165 E CB -0.031 29.509 29.700 -0.267 0.000 0.744 165 E HN 0.650 nan 8.360 nan 0.000 0.456 166 N N 1.398 119.504 118.700 -0.989 0.000 2.327 166 N HA 0.056 4.796 4.740 0.000 0.000 0.231 166 N C -0.503 174.870 175.510 -0.228 0.000 1.130 166 N CA -0.039 52.694 53.050 -0.529 0.000 0.845 166 N CB 0.062 38.313 38.487 -0.394 0.000 1.073 166 N HN 0.078 nan 8.380 nan 0.000 0.496 167 N N 2.616 121.218 118.700 -0.164 0.000 2.395 167 N HA 0.088 4.828 4.740 0.000 0.000 0.246 167 N C -1.976 173.515 175.510 -0.031 0.000 1.246 167 N CA -0.422 52.620 53.050 -0.013 0.000 0.879 167 N CB 0.350 38.822 38.487 -0.026 0.000 1.098 167 N HN 0.211 nan 8.380 nan 0.000 0.444 168 P HA 0.059 nan 4.420 nan 0.000 0.276 168 P C 0.868 178.195 177.300 0.045 0.000 1.244 168 P CA -0.401 62.687 63.100 -0.019 0.000 0.801 168 P CB 0.753 32.432 31.700 -0.035 0.000 1.006 169 V N -0.569 119.373 119.914 0.046 0.000 2.649 169 V HA 0.140 4.260 4.120 0.000 0.000 0.248 169 V C 1.001 177.146 176.094 0.085 0.000 1.054 169 V CA 0.975 63.362 62.300 0.146 0.000 1.073 169 V CB -0.756 31.213 31.823 0.245 0.000 0.699 169 V HN 0.311 nan 8.190 nan 0.000 0.463 170 I N 1.162 121.693 120.570 -0.066 0.000 2.533 170 I HA 0.627 4.797 4.170 0.000 0.000 0.290 170 I C -1.669 174.447 176.117 -0.001 0.000 1.056 170 I CA -0.360 60.891 61.300 -0.082 0.000 1.057 170 I CB 2.054 39.875 38.000 -0.298 0.000 1.240 170 I HN 0.050 nan 8.210 nan 0.000 0.423 171 D N 5.106 125.493 120.400 -0.021 0.000 2.788 171 D HA 0.346 4.986 4.640 0.000 0.000 0.247 171 D C -0.601 175.616 176.300 -0.137 0.000 1.236 171 D CA -0.302 53.671 54.000 -0.045 0.000 0.898 171 D CB 2.704 43.489 40.800 -0.026 0.000 1.401 171 D HN 0.201 nan 8.370 nan 0.000 0.549 172 V N 2.253 121.992 119.914 -0.292 0.000 3.214 172 V HA 0.129 4.249 4.120 0.000 0.000 0.330 172 V C 0.757 176.716 176.094 -0.225 0.000 1.403 172 V CA 0.106 62.198 62.300 -0.346 0.000 1.143 172 V CB -0.436 30.961 31.823 -0.711 0.000 1.098 172 V HN 0.826 nan 8.190 nan 0.000 0.463 173 S N 0.853 116.466 115.700 -0.145 0.000 3.706 173 S HA -0.166 4.304 4.470 0.000 0.000 0.363 173 S C 0.316 174.861 174.600 -0.091 0.000 0.999 173 S CA 1.128 59.273 58.200 -0.091 0.000 1.143 173 S CB -0.712 62.446 63.200 -0.071 0.000 0.902 173 S HN 0.718 nan 8.310 nan 0.000 0.476 174 S N -0.302 115.341 115.700 -0.095 0.000 2.566 174 S HA 0.670 5.141 4.470 0.000 0.000 0.298 174 S C 0.519 175.124 174.600 0.008 0.000 1.083 174 S CA -0.670 57.497 58.200 -0.055 0.000 0.978 174 S CB 1.465 64.612 63.200 -0.089 0.000 1.073 174 S HN 0.379 nan 8.310 nan 0.000 0.491 175 N N 1.715 120.421 118.700 0.009 0.000 2.373 175 N HA 0.154 4.894 4.740 0.000 0.000 0.181 175 N C -0.202 175.333 175.510 0.043 0.000 1.082 175 N CA 0.449 53.507 53.050 0.014 0.000 0.885 175 N CB 0.232 38.717 38.487 -0.003 0.000 0.977 175 N HN 0.562 nan 8.380 nan 0.000 0.462 176 Q N 0.153 119.998 119.800 0.075 0.000 3.255 176 Q HA 0.320 4.660 4.340 0.000 0.000 0.231 176 Q C -2.105 174.014 176.000 0.197 0.000 0.935 176 Q CA -0.381 55.477 55.803 0.093 0.000 0.714 176 Q CB 0.114 28.869 28.738 0.028 0.000 1.345 176 Q HN 0.186 nan 8.270 nan 0.000 0.463 177 F N 3.808 123.765 119.950 0.011 0.000 3.395 177 F HA 0.482 5.009 4.527 0.000 0.000 0.382 177 F C -1.644 174.174 175.800 0.030 0.000 1.264 177 F CA -0.176 57.834 58.000 0.017 0.000 1.277 177 F CB 0.555 39.552 39.000 -0.006 0.000 1.780 177 F HN 0.401 nan 8.300 nan 0.000 0.691 178 R N 2.739 123.093 120.500 -0.243 0.000 2.747 178 R HA 0.632 4.972 4.340 0.000 0.000 0.272 178 R C -1.677 174.550 176.300 -0.122 0.000 1.032 178 R CA -0.805 55.197 56.100 -0.163 0.000 0.896 178 R CB 1.279 31.634 30.300 0.093 0.000 1.253 178 R HN 0.248 nan 8.270 nan 0.000 0.461 179 D N 0.055 120.436 120.400 -0.032 0.000 3.061 179 D HA -0.064 4.576 4.640 0.000 0.000 0.252 179 D C -2.481 173.799 176.300 -0.033 0.000 1.080 179 D CA 0.470 54.480 54.000 0.016 0.000 0.871 179 D CB -0.815 40.014 40.800 0.048 0.000 1.018 179 D HN 0.490 nan 8.370 nan 0.000 0.425 180 P HA 0.279 nan 4.420 nan 0.000 0.282 180 P C -0.275 177.024 177.300 -0.002 0.000 1.262 180 P CA -0.285 62.755 63.100 -0.099 0.000 0.773 180 P CB 1.048 32.617 31.700 -0.217 0.000 0.879 181 K N 3.961 124.385 120.400 0.040 0.000 2.425 181 K HA 0.431 4.751 4.320 0.000 0.000 0.259 181 K C -1.004 175.720 176.600 0.207 0.000 0.978 181 K CA -0.974 55.383 56.287 0.117 0.000 0.883 181 K CB 0.574 33.144 32.500 0.117 0.000 1.110 181 K HN 0.320 nan 8.250 nan 0.000 0.436 182 V N 3.037 123.099 119.914 0.247 0.000 2.769 182 V HA 0.952 5.072 4.120 0.000 0.000 0.312 182 V C -1.100 175.328 176.094 0.557 0.000 1.058 182 V CA -0.583 61.921 62.300 0.341 0.000 0.952 182 V CB 1.010 33.006 31.823 0.288 0.000 1.019 182 V HN 0.738 nan 8.190 nan 0.000 0.445 183 F N 1.562 121.811 119.950 0.498 0.000 2.693 183 F HA 0.584 5.111 4.527 0.000 0.000 0.309 183 F C -1.193 174.992 175.800 0.643 0.000 1.129 183 F CA -1.375 56.961 58.000 0.559 0.000 0.948 183 F CB 1.353 40.600 39.000 0.413 0.000 1.315 183 F HN 0.945 nan 8.300 nan 0.000 0.447 184 W N 3.537 125.089 121.300 0.421 0.000 2.316 184 W HA 0.419 5.079 4.660 0.000 0.000 0.311 184 W C -1.612 175.057 176.519 0.250 0.000 1.217 184 W CA -0.254 57.042 57.345 -0.083 0.000 1.199 184 W CB 1.075 30.266 29.460 -0.449 0.000 1.202 184 W HN 0.887 nan 8.180 nan 0.000 0.528 185 H N 4.498 123.052 119.070 -0.860 0.000 2.860 185 H HA 0.207 4.763 4.556 0.000 0.000 0.312 185 H C 0.096 174.928 175.328 -0.827 0.000 0.995 185 H CA -0.350 55.439 56.048 -0.432 0.000 1.311 185 H CB 0.761 30.429 29.762 -0.157 0.000 1.478 185 H HN 0.360 nan 8.280 nan 0.000 0.508 186 E N 2.700 122.459 120.200 -0.734 0.000 2.435 186 E HA -0.042 4.308 4.350 0.000 0.000 0.254 186 E C 0.603 176.847 176.600 -0.592 0.000 1.289 186 E CA 0.932 57.050 56.400 -0.471 0.000 0.983 186 E CB 0.393 30.050 29.700 -0.070 0.000 1.010 186 E HN 1.029 nan 8.360 nan 0.000 0.509 187 D N -1.242 118.986 120.400 -0.287 0.000 3.041 187 D HA -0.275 4.366 4.640 0.000 0.000 0.214 187 D C 0.706 176.900 176.300 -0.177 0.000 1.153 187 D CA 1.528 55.413 54.000 -0.192 0.000 0.972 187 D CB -1.323 39.412 40.800 -0.108 0.000 1.126 187 D HN 0.337 nan 8.370 nan 0.000 0.400 188 S N -0.198 115.325 115.700 -0.294 0.000 2.632 188 S HA 0.046 4.516 4.470 0.000 0.000 0.237 188 S C 0.701 175.168 174.600 -0.221 0.000 1.037 188 S CA 0.765 58.891 58.200 -0.124 0.000 1.009 188 S CB 0.166 63.319 63.200 -0.079 0.000 0.974 188 S HN 0.422 nan 8.310 nan 0.000 0.544 189 N N 1.880 120.351 118.700 -0.382 0.000 2.738 189 N HA -0.191 4.549 4.740 0.000 0.000 0.249 189 N C -0.582 174.613 175.510 -0.525 0.000 1.047 189 N CA 1.088 53.911 53.050 -0.377 0.000 0.707 189 N CB -0.997 37.449 38.487 -0.069 0.000 0.937 189 N HN 0.953 nan 8.380 nan 0.000 0.545 190 Q N -1.062 118.150 119.800 -0.980 0.000 2.534 190 Q HA 0.390 4.730 4.340 0.000 0.000 0.290 190 Q C -1.328 174.189 176.000 -0.806 0.000 0.991 190 Q CA -1.006 54.392 55.803 -0.675 0.000 0.783 190 Q CB 0.527 29.079 28.738 -0.310 0.000 1.470 190 Q HN 0.227 nan 8.270 nan 0.000 0.406 191 W N 1.451 122.655 121.300 -0.160 0.000 2.266 191 W HA 0.380 5.040 4.660 0.000 0.000 0.317 191 W C -0.257 176.209 176.519 -0.089 0.000 1.310 191 W CA -0.421 56.909 57.345 -0.025 0.000 1.207 191 W CB 0.660 30.149 29.460 0.048 0.000 1.199 191 W HN 0.366 nan 8.180 nan 0.000 0.544 192 I N 5.043 125.596 120.570 -0.029 0.000 2.354 192 I HA 0.308 4.478 4.170 0.000 0.000 0.292 192 I C -0.123 176.049 176.117 0.091 0.000 0.989 192 I CA -1.256 59.969 61.300 -0.125 0.000 1.188 192 I CB 1.256 38.852 38.000 -0.673 0.000 1.342 192 I HN 0.446 nan 8.210 nan 0.000 0.457 193 M N 7.053 126.830 119.600 0.296 0.000 2.205 193 M HA 0.451 4.931 4.480 0.000 0.000 0.344 193 M C -1.590 174.801 176.300 0.152 0.000 1.085 193 M CA -0.440 54.930 55.300 0.116 0.000 1.001 193 M CB 1.617 34.031 32.600 -0.310 0.000 1.626 193 M HN 0.311 nan 8.290 nan 0.000 0.442 194 V N 6.531 126.527 119.914 0.137 0.000 2.311 194 V HA 0.557 4.678 4.120 0.000 0.000 0.275 194 V C -0.889 175.257 176.094 0.087 0.000 1.022 194 V CA -0.242 62.139 62.300 0.134 0.000 0.830 194 V CB 1.535 33.440 31.823 0.136 0.000 1.012 194 V HN 0.753 nan 8.190 nan 0.000 0.452 195 V N 5.529 125.503 119.914 0.100 0.000 3.141 195 V HA 0.832 4.952 4.120 0.000 0.000 0.312 195 V C -0.303 175.846 176.094 0.092 0.000 1.157 195 V CA -0.216 62.086 62.300 0.005 0.000 1.041 195 V CB 3.167 34.873 31.823 -0.194 0.000 1.071 195 V HN 0.887 nan 8.190 nan 0.000 0.441 196 S N 2.792 118.516 115.700 0.039 0.000 2.519 196 S HA 0.552 5.022 4.470 0.000 0.000 0.309 196 S C -0.811 173.888 174.600 0.165 0.000 1.100 196 S CA -0.706 57.590 58.200 0.160 0.000 1.059 196 S CB 1.381 64.708 63.200 0.212 0.000 1.008 196 S HN 0.715 nan 8.310 nan 0.000 0.478 197 K N 2.803 123.345 120.400 0.237 0.000 2.150 197 K HA 0.319 4.639 4.320 0.000 0.000 0.261 197 K C 1.017 177.641 176.600 0.039 0.000 1.127 197 K CA -0.222 56.203 56.287 0.231 0.000 0.989 197 K CB -0.364 32.259 32.500 0.205 0.000 1.475 197 K HN 0.700 nan 8.250 nan 0.000 0.391 198 S N 2.333 118.063 115.700 0.050 0.000 2.369 198 S HA -0.240 4.231 4.470 0.000 0.000 0.225 198 S C 1.258 175.704 174.600 -0.256 0.000 1.043 198 S CA 1.410 59.600 58.200 -0.017 0.000 1.074 198 S CB -0.122 63.098 63.200 0.032 0.000 0.962 198 S HN 0.685 nan 8.310 nan 0.000 0.433 199 Q N 0.144 119.784 119.800 -0.267 0.000 2.403 199 Q HA 0.107 4.447 4.340 0.000 0.000 0.203 199 Q C 1.197 176.863 176.000 -0.556 0.000 0.932 199 Q CA 0.302 55.838 55.803 -0.445 0.000 0.945 199 Q CB 0.033 28.631 28.738 -0.233 0.000 1.045 199 Q HN 0.633 nan 8.270 nan 0.000 0.511 200 E N -0.146 119.809 120.200 -0.408 0.000 2.479 200 E HA -0.026 4.324 4.350 0.000 0.000 0.193 200 E C -0.746 175.622 176.600 -0.385 0.000 1.049 200 E CA -0.223 55.999 56.400 -0.298 0.000 0.870 200 E CB 0.168 29.778 29.700 -0.149 0.000 0.944 200 E HN 0.290 nan 8.360 nan 0.000 0.492 201 Y N 0.555 120.483 120.300 -0.620 0.000 3.389 201 Y HA -0.280 4.270 4.550 0.000 0.000 0.213 201 Y C -0.348 174.769 175.900 -1.305 0.000 1.272 201 Y CA 0.466 57.712 58.100 -1.425 0.000 1.444 201 Y CB -1.493 36.062 38.460 -1.508 0.000 1.445 201 Y HN -0.061 nan 8.280 nan 0.000 0.583 202 K N 0.818 120.876 120.400 -0.570 0.000 2.426 202 K HA 0.579 4.899 4.320 0.000 0.000 0.254 202 K C -0.300 176.407 176.600 0.179 0.000 0.936 202 K CA -0.922 55.290 56.287 -0.126 0.000 0.801 202 K CB 2.258 34.736 32.500 -0.037 0.000 1.139 202 K HN 0.136 nan 8.250 nan 0.000 0.424 203 I N 3.010 123.813 120.570 0.387 0.000 2.379 203 I HA 0.033 4.203 4.170 0.000 0.000 0.290 203 I C 0.479 176.747 176.117 0.252 0.000 1.063 203 I CA 0.016 61.529 61.300 0.355 0.000 1.351 203 I CB 0.499 38.722 38.000 0.371 0.000 1.410 203 I HN 0.227 nan 8.210 nan 0.000 0.505 204 Q N 6.855 126.789 119.800 0.223 0.000 2.278 204 Q HA 0.530 4.870 4.340 0.000 0.000 0.257 204 Q C -0.779 175.298 176.000 0.129 0.000 0.928 204 Q CA -0.524 55.371 55.803 0.154 0.000 0.932 204 Q CB 2.237 31.131 28.738 0.260 0.000 1.221 204 Q HN 0.571 nan 8.270 nan 0.000 0.434 205 I N 3.219 123.789 120.570 -0.000 0.000 2.312 205 I HA 0.333 4.503 4.170 0.000 0.000 0.290 205 I C -0.606 175.462 176.117 -0.083 0.000 1.008 205 I CA -0.355 60.974 61.300 0.049 0.000 1.226 205 I CB 0.463 38.527 38.000 0.107 0.000 1.371 205 I HN 0.409 nan 8.210 nan 0.000 0.468 206 F N 3.196 123.234 119.950 0.147 0.000 2.483 206 F HA 0.773 5.300 4.527 0.000 0.000 0.329 206 F C 0.871 176.855 175.800 0.307 0.000 1.064 206 F CA -0.472 57.672 58.000 0.241 0.000 0.986 206 F CB 1.992 41.143 39.000 0.252 0.000 1.218 206 F HN 0.381 nan 8.300 nan 0.000 0.484 207 G N -0.054 109.057 108.800 0.519 0.000 2.533 207 G HA2 0.569 4.529 3.960 0.000 0.000 0.304 207 G HA3 0.569 4.529 3.960 0.000 0.000 0.304 207 G C -1.648 173.356 174.900 0.172 0.000 1.263 207 G CA -0.736 44.527 45.100 0.271 0.000 0.964 207 G HN 0.656 nan 8.290 nan 0.000 0.479 208 S N -1.298 114.351 115.700 -0.085 0.000 2.556 208 S HA 0.531 5.002 4.470 0.000 0.000 0.280 208 S C 0.205 174.768 174.600 -0.060 0.000 1.141 208 S CA 0.375 58.375 58.200 -0.333 0.000 0.883 208 S CB 1.277 63.709 63.200 -1.280 0.000 1.103 208 S HN 1.669 nan 8.310 nan 0.000 0.453 209 A N 3.374 126.182 122.820 -0.021 0.000 2.379 209 A HA 0.383 4.703 4.320 0.000 0.000 0.236 209 A C 0.995 178.684 177.584 0.175 0.000 1.272 209 A CA 0.344 52.462 52.037 0.135 0.000 0.886 209 A CB -0.697 18.340 19.000 0.062 0.000 0.962 209 A HN 0.838 nan 8.150 nan 0.000 0.504 210 N N -1.123 117.588 118.700 0.017 0.000 2.297 210 N HA 0.138 4.878 4.740 0.000 0.000 0.247 210 N C 0.555 175.840 175.510 -0.376 0.000 1.138 210 N CA 0.557 53.499 53.050 -0.180 0.000 0.813 210 N CB 0.477 38.812 38.487 -0.253 0.000 1.496 210 N HN 0.143 nan 8.380 nan 0.000 0.480 211 L N -0.228 120.610 121.223 -0.641 0.000 5.198 211 L HA -0.347 3.994 4.340 0.000 0.000 0.414 211 L C 1.004 177.713 176.870 -0.269 0.000 0.922 211 L CA 1.287 55.776 54.840 -0.586 0.000 1.585 211 L CB -1.042 40.695 42.059 -0.537 0.000 1.671 211 L HN 0.223 nan 8.230 nan 0.000 0.621 212 K N -0.440 119.738 120.400 -0.370 0.000 2.240 212 K HA 0.188 4.508 4.320 0.000 0.000 0.202 212 K C 0.663 177.228 176.600 -0.057 0.000 1.053 212 K CA 0.375 56.570 56.287 -0.154 0.000 0.973 212 K CB 0.212 32.583 32.500 -0.216 0.000 0.924 212 K HN 0.210 nan 8.250 nan 0.000 0.477 213 N N 0.629 119.180 118.700 -0.248 0.000 2.425 213 N HA 0.162 4.902 4.740 0.000 0.000 0.268 213 N C -1.315 174.045 175.510 -0.249 0.000 0.991 213 N CA -0.154 52.832 53.050 -0.106 0.000 0.931 213 N CB 0.962 39.418 38.487 -0.051 0.000 1.130 213 N HN 0.033 nan 8.380 nan 0.000 0.493 214 W N 0.945 122.284 121.300 0.065 0.000 2.781 214 W HA 0.589 5.249 4.660 0.000 0.000 0.345 214 W C -0.343 176.318 176.519 0.237 0.000 1.085 214 W CA -0.735 56.689 57.345 0.131 0.000 1.198 214 W CB 1.280 30.756 29.460 0.027 0.000 1.423 214 W HN -0.027 nan 8.180 nan 0.000 0.532 215 V N 3.593 123.843 119.914 0.559 0.000 2.588 215 V HA 0.286 4.407 4.120 0.000 0.000 0.304 215 V C -0.766 175.559 176.094 0.384 0.000 1.042 215 V CA -1.161 61.385 62.300 0.410 0.000 0.877 215 V CB 1.612 33.574 31.823 0.232 0.000 0.996 215 V HN 0.375 nan 8.190 nan 0.000 0.425 216 L N 5.067 126.389 121.223 0.164 0.000 2.418 216 L HA 0.365 4.705 4.340 0.000 0.000 0.274 216 L C 0.997 177.795 176.870 -0.120 0.000 1.135 216 L CA 0.864 55.499 54.840 -0.341 0.000 0.870 216 L CB 0.301 42.138 42.059 -0.371 0.000 1.154 216 L HN 0.618 nan 8.230 nan 0.000 0.462 217 N N 1.662 120.292 118.700 -0.118 0.000 2.436 217 N HA 0.111 4.851 4.740 0.000 0.000 0.178 217 N C -0.128 175.413 175.510 0.052 0.000 1.026 217 N CA 0.900 53.985 53.050 0.058 0.000 0.880 217 N CB 0.303 38.867 38.487 0.128 0.000 1.061 217 N HN 0.745 nan 8.380 nan 0.000 0.434 218 S N -0.703 114.999 115.700 0.003 0.000 2.611 218 S HA 0.464 4.934 4.470 0.000 0.000 0.268 218 S C -1.808 172.819 174.600 0.045 0.000 1.156 218 S CA -1.014 57.216 58.200 0.050 0.000 0.817 218 S CB 1.871 65.148 63.200 0.127 0.000 1.122 218 S HN -0.051 nan 8.310 nan 0.000 0.466 219 N N 0.399 119.155 118.700 0.093 0.000 2.321 219 N HA 0.665 5.405 4.740 0.000 0.000 0.299 219 N C -1.974 173.672 175.510 0.228 0.000 1.048 219 N CA -0.337 52.785 53.050 0.119 0.000 0.836 219 N CB 1.570 40.093 38.487 0.059 0.000 1.269 219 N HN 0.641 nan 8.380 nan 0.000 0.486 220 F N 0.886 120.890 119.950 0.089 0.000 2.529 220 F HA 0.530 5.057 4.527 0.000 0.000 0.320 220 F C -0.729 175.157 175.800 0.143 0.000 1.118 220 F CA -0.475 57.587 58.000 0.104 0.000 0.915 220 F CB 1.301 40.366 39.000 0.108 0.000 1.161 220 F HN 0.234 nan 8.300 nan 0.000 0.445 221 S N 4.115 119.410 115.700 -0.675 0.000 2.776 221 S HA 0.677 5.147 4.470 0.000 0.000 0.284 221 S C -0.834 173.490 174.600 -0.459 0.000 1.160 221 S CA -0.599 57.381 58.200 -0.368 0.000 1.051 221 S CB 1.538 64.659 63.200 -0.132 0.000 1.037 221 S HN 0.718 nan 8.310 nan 0.000 0.485 222 S N 1.531 117.079 115.700 -0.252 0.000 2.757 222 S HA 0.898 5.368 4.470 0.000 0.000 0.285 222 S C 0.293 175.149 174.600 0.428 0.000 1.196 222 S CA 0.367 58.535 58.200 -0.053 0.000 0.856 222 S CB 0.820 63.775 63.200 -0.409 0.000 1.212 222 S HN 1.717 nan 8.310 nan 0.000 0.516 223 G N 0.685 109.792 108.800 0.511 0.000 2.601 223 G HA2 -0.271 3.690 3.960 0.000 0.000 0.261 223 G HA3 -0.271 3.690 3.960 0.000 0.000 0.261 223 G C -0.743 174.373 174.900 0.360 0.000 1.289 223 G CA 0.462 45.860 45.100 0.496 0.000 0.920 223 G HN 1.080 nan 8.290 nan 0.000 0.571 224 Y N 1.071 121.512 120.300 0.235 0.000 2.436 224 Y HA 0.489 5.039 4.550 0.000 0.000 0.343 224 Y C 1.457 177.631 175.900 0.457 0.000 1.008 224 Y CA -0.012 58.251 58.100 0.272 0.000 1.241 224 Y CB 0.286 38.939 38.460 0.322 0.000 1.153 224 Y HN 0.475 nan 8.280 nan 0.000 0.521 225 Y N 3.539 123.833 120.300 -0.011 0.000 2.153 225 Y HA 0.017 4.567 4.550 0.000 0.000 0.289 225 Y C 2.002 178.096 175.900 0.324 0.000 1.127 225 Y CA 0.664 58.820 58.100 0.093 0.000 1.131 225 Y CB -0.876 37.272 38.460 -0.519 0.000 0.995 225 Y HN 0.832 nan 8.280 nan 0.000 0.505 226 G N 0.364 109.373 108.800 0.347 0.000 2.582 226 G HA2 -0.499 3.461 3.960 0.000 0.000 0.288 226 G HA3 -0.499 3.461 3.960 0.000 0.000 0.288 226 G C 1.004 176.165 174.900 0.434 0.000 1.247 226 G CA 0.910 46.251 45.100 0.401 0.000 0.972 226 G HN 0.434 nan 8.290 nan 0.000 0.557 227 N N -0.060 118.862 118.700 0.369 0.000 2.182 227 N HA 0.152 4.892 4.740 0.000 0.000 0.186 227 N C 1.012 176.671 175.510 0.248 0.000 1.036 227 N CA 2.159 55.383 53.050 0.290 0.000 0.850 227 N CB 0.127 38.701 38.487 0.145 0.000 1.010 227 N HN 0.787 nan 8.380 nan 0.000 0.432 228 Q N -1.566 118.379 119.800 0.242 0.000 2.456 228 Q HA 0.318 4.658 4.340 0.000 0.000 0.284 228 Q C -1.548 174.680 176.000 0.381 0.000 1.061 228 Q CA -0.818 55.056 55.803 0.118 0.000 0.799 228 Q CB 1.430 30.193 28.738 0.042 0.000 1.445 228 Q HN 0.086 nan 8.270 nan 0.000 0.411 229 Y N 1.176 121.522 120.300 0.075 0.000 2.319 229 Y HA 0.332 4.882 4.550 0.000 0.000 0.328 229 Y C 0.210 176.196 175.900 0.143 0.000 1.133 229 Y CA -0.252 57.943 58.100 0.159 0.000 1.265 229 Y CB 0.908 39.440 38.460 0.120 0.000 1.218 229 Y HN 0.476 nan 8.280 nan 0.000 0.508 230 E N 0.048 120.419 120.200 0.286 0.000 2.429 230 E HA 0.307 4.657 4.350 0.000 0.000 0.276 230 E C -0.940 175.735 176.600 0.125 0.000 0.953 230 E CA -0.916 55.606 56.400 0.205 0.000 0.787 230 E CB 2.119 31.972 29.700 0.255 0.000 1.307 230 E HN 0.649 nan 8.360 nan 0.000 0.458 231 C N 2.100 121.446 119.300 0.076 0.000 2.977 231 C HA -0.107 4.353 4.460 0.000 0.000 0.252 231 C C -1.931 173.101 174.990 0.069 0.000 1.310 231 C CA -0.350 58.684 59.018 0.026 0.000 2.393 231 C CB -2.390 25.306 27.740 -0.074 0.000 1.512 231 C HN 0.408 nan 8.230 nan 0.000 0.453 232 P HA 0.549 nan 4.420 nan 0.000 0.276 232 P C 0.206 177.587 177.300 0.136 0.000 1.244 232 P CA 0.620 63.803 63.100 0.138 0.000 0.801 232 P CB 1.127 32.911 31.700 0.140 0.000 1.006 233 G N 0.429 109.351 108.800 0.204 0.000 2.659 233 G HA2 0.595 4.555 3.960 0.000 0.000 0.296 233 G HA3 0.595 4.555 3.960 0.000 0.000 0.296 233 G C -2.221 172.792 174.900 0.187 0.000 1.369 233 G CA -0.526 44.704 45.100 0.217 0.000 0.937 233 G HN 0.523 nan 8.290 nan 0.000 0.485 234 L N 1.461 122.752 121.223 0.113 0.000 2.516 234 L HA 0.856 5.196 4.340 0.000 0.000 0.267 234 L C -1.233 175.570 176.870 -0.111 0.000 0.957 234 L CA -0.685 54.142 54.840 -0.022 0.000 0.860 234 L CB 1.520 43.485 42.059 -0.157 0.000 1.265 234 L HN 0.668 nan 8.230 nan 0.000 0.403 235 I N 2.289 122.879 120.570 0.033 0.000 2.908 235 I HA 0.389 4.559 4.170 0.000 0.000 0.300 235 I C -1.270 174.642 176.117 -0.342 0.000 1.385 235 I CA -0.390 60.814 61.300 -0.160 0.000 1.004 235 I CB 2.288 40.264 38.000 -0.041 0.000 1.309 235 I HN 0.738 nan 8.210 nan 0.000 0.449 236 E N 5.105 124.822 120.200 -0.804 0.000 2.130 236 E HA 0.492 4.842 4.350 0.000 0.000 0.284 236 E C -1.645 174.732 176.600 -0.372 0.000 1.018 236 E CA -0.513 55.318 56.400 -0.949 0.000 0.817 236 E CB 1.297 30.246 29.700 -1.251 0.000 1.078 236 E HN 0.406 nan 8.360 nan 0.000 0.396 237 V N 7.498 127.275 119.914 -0.228 0.000 2.459 237 V HA 0.373 4.493 4.120 0.000 0.000 0.295 237 V C -2.102 173.959 176.094 -0.055 0.000 1.029 237 V CA -1.924 60.335 62.300 -0.067 0.000 0.874 237 V CB 1.500 33.330 31.823 0.011 0.000 0.985 237 V HN 0.720 nan 8.190 nan 0.000 0.438 238 P HA 0.288 nan 4.420 nan 0.000 0.271 238 P C -0.578 176.720 177.300 -0.003 0.000 1.218 238 P CA -0.076 63.020 63.100 -0.007 0.000 0.780 238 P CB 0.977 32.684 31.700 0.012 0.000 0.901 239 I N 2.193 122.765 120.570 0.002 0.000 2.395 239 I HA 0.102 4.272 4.170 0.000 0.000 0.289 239 I C 1.930 178.060 176.117 0.023 0.000 1.023 239 I CA -0.256 61.046 61.300 0.002 0.000 1.350 239 I CB 0.508 38.523 38.000 0.026 0.000 1.409 239 I HN 0.415 nan 8.210 nan 0.000 0.507 240 E N 3.589 123.801 120.200 0.020 0.000 2.070 240 E HA -0.234 4.116 4.350 0.000 0.000 0.197 240 E C 1.197 177.813 176.600 0.027 0.000 1.004 240 E CA 1.577 57.989 56.400 0.020 0.000 0.805 240 E CB 0.100 29.810 29.700 0.016 0.000 0.744 240 E HN 0.631 nan 8.360 nan 0.000 0.451 241 N N 0.097 118.826 118.700 0.048 0.000 2.428 241 N HA -0.040 4.700 4.740 0.000 0.000 0.181 241 N C 1.105 176.638 175.510 0.038 0.000 1.028 241 N CA 0.595 53.669 53.050 0.039 0.000 0.877 241 N CB -0.104 38.409 38.487 0.043 0.000 1.064 241 N HN 0.039 nan 8.380 nan 0.000 0.434 242 S N 1.574 117.307 115.700 0.055 0.000 2.612 242 S HA -0.004 4.466 4.470 0.000 0.000 0.253 242 S C 0.632 175.255 174.600 0.039 0.000 1.346 242 S CA 0.014 58.244 58.200 0.050 0.000 0.976 242 S CB 0.378 63.621 63.200 0.071 0.000 0.949 242 S HN 0.296 nan 8.310 nan 0.000 0.584 243 D N -1.398 119.025 120.400 0.038 0.000 2.339 243 D HA 0.132 4.772 4.640 0.000 0.000 0.217 243 D C 0.187 176.511 176.300 0.040 0.000 1.050 243 D CA 0.011 54.032 54.000 0.034 0.000 0.856 243 D CB -0.099 40.720 40.800 0.031 0.000 0.922 243 D HN 0.251 nan 8.370 nan 0.000 0.518 244 K N 0.605 121.034 120.400 0.049 0.000 2.138 244 K HA 0.450 4.770 4.320 0.000 0.000 0.251 244 K C 0.575 177.199 176.600 0.040 0.000 1.015 244 K CA -0.166 56.155 56.287 0.056 0.000 0.917 244 K CB 1.328 33.875 32.500 0.078 0.000 1.021 244 K HN 0.284 nan 8.250 nan 0.000 0.485 245 S N -0.025 115.695 115.700 0.034 0.000 2.688 245 S HA 0.626 5.096 4.470 0.000 0.000 0.275 245 S C -1.133 173.476 174.600 0.015 0.000 1.175 245 S CA -0.991 57.208 58.200 -0.003 0.000 0.818 245 S CB 2.337 65.502 63.200 -0.058 0.000 1.157 245 S HN 0.365 nan 8.310 nan 0.000 0.482 246 K N -0.468 119.922 120.400 -0.016 0.000 2.480 246 K HA 0.397 4.717 4.320 0.000 0.000 0.258 246 K C -1.814 174.786 176.600 0.001 0.000 0.990 246 K CA -0.301 56.024 56.287 0.064 0.000 0.857 246 K CB 1.482 34.044 32.500 0.104 0.000 1.384 246 K HN 0.769 nan 8.250 nan 0.000 0.446 247 W N 0.806 122.205 121.300 0.165 0.000 2.351 247 W HA 0.396 5.056 4.660 0.000 0.000 0.311 247 W C -0.138 176.496 176.519 0.191 0.000 1.168 247 W CA -0.470 56.984 57.345 0.181 0.000 1.200 247 W CB 1.221 30.856 29.460 0.292 0.000 1.221 247 W HN -0.009 nan 8.180 nan 0.000 0.519 248 V N 5.712 125.749 119.914 0.206 0.000 2.448 248 V HA 0.338 4.458 4.120 0.000 0.000 0.295 248 V C 0.038 175.956 176.094 -0.292 0.000 1.025 248 V CA -1.129 61.138 62.300 -0.055 0.000 0.859 248 V CB 1.465 33.111 31.823 -0.295 0.000 0.988 248 V HN 0.391 nan 8.190 nan 0.000 0.431 249 M N 5.102 124.435 119.600 -0.445 0.000 2.108 249 M HA 0.492 4.972 4.480 0.000 0.000 0.354 249 M C -0.874 175.310 176.300 -0.194 0.000 1.229 249 M CA -0.033 54.998 55.300 -0.448 0.000 1.081 249 M CB 0.616 32.756 32.600 -0.767 0.000 1.606 249 M HN 0.435 nan 8.290 nan 0.000 0.467 250 F N 4.456 124.468 119.950 0.103 0.000 2.399 250 F HA 0.603 5.130 4.527 0.000 0.000 0.334 250 F C -0.118 175.787 175.800 0.175 0.000 1.097 250 F CA -0.787 57.321 58.000 0.181 0.000 1.076 250 F CB 1.296 40.439 39.000 0.238 0.000 1.162 250 F HN 0.395 nan 8.300 nan 0.000 0.495 251 L N 3.043 124.485 121.223 0.365 0.000 2.505 251 L HA 0.811 5.151 4.340 0.000 0.000 0.266 251 L C -1.257 175.748 176.870 0.226 0.000 0.954 251 L CA -0.605 54.376 54.840 0.235 0.000 0.852 251 L CB 1.580 43.754 42.059 0.192 0.000 1.282 251 L HN 0.626 nan 8.230 nan 0.000 0.403 252 A N 5.757 128.679 122.820 0.169 0.000 2.305 252 A HA 0.846 5.166 4.320 0.000 0.000 0.322 252 A C -0.590 177.198 177.584 0.341 0.000 1.187 252 A CA -0.473 51.681 52.037 0.196 0.000 0.825 252 A CB 0.561 19.463 19.000 -0.164 0.000 1.164 252 A HN 0.913 nan 8.150 nan 0.000 0.498 253 I N -0.175 120.700 120.570 0.508 0.000 2.608 253 I HA 0.866 5.036 4.170 0.000 0.000 0.295 253 I C -0.831 175.571 176.117 0.476 0.000 1.049 253 I CA -0.894 60.697 61.300 0.486 0.000 1.063 253 I CB 2.458 40.733 38.000 0.459 0.000 1.248 253 I HN 0.602 nan 8.210 nan 0.000 0.424 254 N N 4.645 123.543 118.700 0.329 0.000 2.516 254 N HA 0.450 5.191 4.740 0.000 0.000 0.268 254 N C -2.868 172.687 175.510 0.075 0.000 1.096 254 N CA -1.139 51.983 53.050 0.119 0.000 0.954 254 N CB 2.837 41.282 38.487 -0.070 0.000 1.676 254 N HN 0.450 nan 8.380 nan 0.000 0.490 255 P HA 0.260 nan 4.420 nan 0.000 0.231 255 P C 0.281 177.634 177.300 0.088 0.000 1.833 255 P CA -0.085 63.022 63.100 0.012 0.000 1.023 255 P CB 0.125 31.791 31.700 -0.057 0.000 1.643 256 G N 0.019 108.931 108.800 0.187 0.000 2.880 256 G HA2 -0.087 3.873 3.960 0.000 0.000 0.209 256 G HA3 -0.087 3.873 3.960 0.000 0.000 0.209 256 G C 0.664 175.740 174.900 0.295 0.000 1.157 256 G CA 0.030 45.294 45.100 0.273 0.000 0.779 256 G HN 0.406 nan 8.290 nan 0.000 0.539 257 S N 1.796 117.589 115.700 0.155 0.000 2.626 257 S HA 0.073 4.543 4.470 0.000 0.000 0.303 257 S C -0.178 174.382 174.600 -0.066 0.000 1.256 257 S CA -0.555 57.641 58.200 -0.006 0.000 1.069 257 S CB 1.188 64.336 63.200 -0.087 0.000 0.807 257 S HN 0.142 nan 8.310 nan 0.000 0.500 258 P HA -0.097 nan 4.420 nan 0.000 0.219 258 P C 1.194 178.426 177.300 -0.115 0.000 1.146 258 P CA 0.762 63.753 63.100 -0.181 0.000 0.808 258 P CB 0.107 31.572 31.700 -0.391 0.000 0.779 259 L N -1.968 119.140 121.223 -0.192 0.000 2.418 259 L HA 0.214 4.554 4.340 0.000 0.000 0.218 259 L C 1.747 178.600 176.870 -0.029 0.000 1.125 259 L CA 1.625 56.396 54.840 -0.115 0.000 0.835 259 L CB -0.694 41.259 42.059 -0.176 0.000 0.953 259 L HN 0.173 nan 8.230 nan 0.000 0.454 260 G N -2.667 106.123 108.800 -0.017 0.000 2.198 260 G HA2 0.125 4.085 3.960 0.000 0.000 0.057 260 G HA3 0.125 4.085 3.960 0.000 0.000 0.057 260 G C 0.571 175.466 174.900 -0.008 0.000 0.803 260 G CA -0.056 45.066 45.100 0.038 0.000 1.140 260 G HN 0.119 nan 8.290 nan 0.000 0.405 261 G N 0.453 109.214 108.800 -0.065 0.000 2.680 261 G HA2 0.461 4.421 3.960 0.000 0.000 0.224 261 G HA3 0.461 4.421 3.960 0.000 0.000 0.224 261 G C 0.952 175.797 174.900 -0.092 0.000 1.454 261 G CA 1.621 46.657 45.100 -0.105 0.000 0.900 261 G HN 1.705 nan 8.290 nan 0.000 0.570 262 S N -0.729 114.869 115.700 -0.170 0.000 2.651 262 S HA 0.776 5.246 4.470 0.000 0.000 0.291 262 S C -0.642 173.942 174.600 -0.028 0.000 1.141 262 S CA -0.610 57.448 58.200 -0.238 0.000 1.027 262 S CB 2.164 64.894 63.200 -0.783 0.000 1.043 262 S HN 0.526 nan 8.310 nan 0.000 0.530 263 I N 0.478 121.192 120.570 0.240 0.000 2.961 263 I HA 0.362 4.532 4.170 0.000 0.000 0.303 263 I C -1.958 174.429 176.117 0.451 0.000 1.505 263 I CA -0.626 60.828 61.300 0.257 0.000 0.964 263 I CB 2.113 40.063 38.000 -0.083 0.000 1.348 263 I HN 0.662 nan 8.210 nan 0.000 0.508 264 N N 4.271 123.223 118.700 0.420 0.000 2.362 264 N HA 0.491 5.231 4.740 0.000 0.000 0.298 264 N C -1.719 174.092 175.510 0.502 0.000 1.048 264 N CA -0.395 52.915 53.050 0.434 0.000 0.858 264 N CB 2.098 40.842 38.487 0.428 0.000 1.218 264 N HN 0.563 nan 8.380 nan 0.000 0.488 265 Q N 1.054 121.094 119.800 0.399 0.000 2.528 265 Q HA 0.596 4.936 4.340 0.000 0.000 0.289 265 Q C -1.519 174.528 176.000 0.078 0.000 1.091 265 Q CA -0.902 55.012 55.803 0.185 0.000 0.797 265 Q CB 2.294 31.001 28.738 -0.051 0.000 1.466 265 Q HN 0.594 nan 8.270 nan 0.000 0.436 266 Y N -1.747 118.298 120.300 -0.425 0.000 2.625 266 Y HA 0.794 5.345 4.550 0.000 0.000 0.338 266 Y C -2.003 173.433 175.900 -0.773 0.000 1.123 266 Y CA -1.464 56.323 58.100 -0.522 0.000 1.046 266 Y CB 1.523 39.709 38.460 -0.457 0.000 1.299 266 Y HN 0.571 nan 8.280 nan 0.000 0.464 267 F N 0.950 120.894 119.950 -0.010 0.000 2.565 267 F HA 0.696 5.223 4.527 0.000 0.000 0.313 267 F C -0.955 174.997 175.800 0.254 0.000 1.091 267 F CA -1.396 56.663 58.000 0.099 0.000 0.915 267 F CB 2.341 41.513 39.000 0.285 0.000 1.208 267 F HN 0.376 nan 8.300 nan 0.000 0.453 268 V N 2.050 122.219 119.914 0.425 0.000 2.384 268 V HA 0.920 5.040 4.120 0.000 0.000 0.287 268 V C 0.104 176.375 176.094 0.294 0.000 1.020 268 V CA -0.084 62.426 62.300 0.349 0.000 0.850 268 V CB 0.841 32.802 31.823 0.230 0.000 0.987 268 V HN 1.051 nan 8.190 nan 0.000 0.436 269 G N 3.770 112.749 108.800 0.298 0.000 2.635 269 G HA2 0.361 4.322 3.960 0.000 0.000 0.194 269 G HA3 0.361 4.322 3.960 0.000 0.000 0.194 269 G C -1.738 173.245 174.900 0.140 0.000 1.198 269 G CA -0.264 44.851 45.100 0.026 0.000 0.972 269 G HN 0.464 nan 8.290 nan 0.000 0.520 270 D N -0.857 119.505 120.400 -0.064 0.000 2.414 270 D HA 0.757 5.397 4.640 0.000 0.000 0.241 270 D C -1.773 174.571 176.300 0.073 0.000 1.008 270 D CA -0.093 53.982 54.000 0.126 0.000 1.001 270 D CB 2.724 43.551 40.800 0.046 0.000 1.277 270 D HN 0.198 nan 8.370 nan 0.000 0.538 271 F N 1.365 121.174 119.950 -0.235 0.000 2.639 271 F HA 0.132 4.659 4.527 0.000 0.000 0.326 271 F C -0.601 174.963 175.800 -0.393 0.000 1.150 271 F CA -0.839 56.866 58.000 -0.492 0.000 1.057 271 F CB 1.274 39.625 39.000 -1.081 0.000 1.300 271 F HN 0.140 nan 8.300 nan 0.000 0.486 272 D N 2.072 121.986 120.400 -0.810 0.000 2.369 272 D HA 0.339 4.979 4.640 0.000 0.000 0.211 272 D C 1.489 177.365 176.300 -0.707 0.000 1.077 272 D CA 0.690 54.397 54.000 -0.489 0.000 0.842 272 D CB 0.623 41.340 40.800 -0.138 0.000 0.947 272 D HN 1.065 nan 8.370 nan 0.000 0.509 273 G N -0.908 106.680 108.800 -2.020 0.000 2.184 273 G HA2 -0.257 3.703 3.960 0.000 0.000 0.206 273 G HA3 -0.257 3.703 3.960 0.000 0.000 0.206 273 G C 0.443 174.554 174.900 -1.314 0.000 0.995 273 G CA 0.184 44.270 45.100 -1.690 0.000 0.651 273 G HN 0.342 nan 8.290 nan 0.000 0.511 274 F N 0.440 120.014 119.950 -0.627 0.000 2.347 274 F HA 0.412 4.939 4.527 0.000 0.000 0.266 274 F C 1.131 176.921 175.800 -0.018 0.000 0.884 274 F CA 0.616 58.501 58.000 -0.191 0.000 1.123 274 F CB 0.085 38.989 39.000 -0.161 0.000 1.098 274 F HN 0.271 nan 8.300 nan 0.000 0.803 275 Q N 0.924 120.814 119.800 0.150 0.000 2.375 275 Q HA 0.277 4.618 4.340 0.000 0.000 0.271 275 Q C -1.591 174.580 176.000 0.286 0.000 1.074 275 Q CA -0.781 55.154 55.803 0.219 0.000 0.808 275 Q CB 2.257 31.087 28.738 0.153 0.000 1.327 275 Q HN 0.229 nan 8.270 nan 0.000 0.441 276 F N 2.587 122.624 119.950 0.144 0.000 2.420 276 F HA 0.471 4.998 4.527 0.000 0.000 0.352 276 F C -1.117 174.632 175.800 -0.085 0.000 1.108 276 F CA -0.490 57.504 58.000 -0.009 0.000 1.162 276 F CB 0.992 39.783 39.000 -0.349 0.000 1.118 276 F HN 0.306 nan 8.300 nan 0.000 0.510 277 V N 8.608 128.065 119.914 -0.762 0.000 2.357 277 V HA 0.324 4.445 4.120 0.000 0.000 0.281 277 V C -2.152 173.503 176.094 -0.732 0.000 1.015 277 V CA -1.651 60.324 62.300 -0.542 0.000 0.827 277 V CB 1.085 32.784 31.823 -0.207 0.000 1.018 277 V HN 0.648 nan 8.190 nan 0.000 0.432 278 P HA 0.226 nan 4.420 nan 0.000 0.275 278 P C -0.020 177.235 177.300 -0.075 0.000 1.228 278 P CA -0.122 62.795 63.100 -0.305 0.000 0.786 278 P CB 1.453 33.200 31.700 0.079 0.000 0.927 279 D N 0.579 120.983 120.400 0.006 0.000 2.178 279 D HA -0.089 4.551 4.640 0.000 0.000 0.202 279 D C 0.553 176.891 176.300 0.064 0.000 0.974 279 D CA 1.723 55.748 54.000 0.042 0.000 0.841 279 D CB 0.026 40.869 40.800 0.073 0.000 0.953 279 D HN 0.600 nan 8.370 nan 0.000 0.478 280 D N -2.262 118.195 120.400 0.094 0.000 2.798 280 D HA 0.307 4.947 4.640 0.000 0.000 0.308 280 D C -0.511 175.873 176.300 0.140 0.000 1.187 280 D CA -0.758 53.301 54.000 0.098 0.000 1.033 280 D CB 0.658 41.510 40.800 0.085 0.000 1.445 280 D HN -0.176 nan 8.370 nan 0.000 0.550 281 S N -1.810 113.964 115.700 0.123 0.000 2.592 281 S HA 0.214 4.684 4.470 0.000 0.000 0.243 281 S C -0.301 174.374 174.600 0.125 0.000 1.160 281 S CA -0.809 57.480 58.200 0.149 0.000 1.145 281 S CB -0.704 62.555 63.200 0.099 0.000 0.909 281 S HN 0.586 nan 8.310 nan 0.000 0.487 282 Q N 0.356 120.219 119.800 0.106 0.000 2.226 282 Q HA 0.607 4.947 4.340 0.000 0.000 0.256 282 Q C -1.049 174.927 176.000 -0.041 0.000 0.962 282 Q CA -0.610 55.211 55.803 0.029 0.000 0.887 282 Q CB 0.975 29.711 28.738 -0.003 0.000 1.282 282 Q HN 0.123 nan 8.270 nan 0.000 0.449 283 T N 2.821 117.305 114.554 -0.117 0.000 2.799 283 T HA 0.505 4.855 4.350 0.000 0.000 0.286 283 T C -0.554 173.845 174.700 -0.500 0.000 0.973 283 T CA -0.652 61.264 62.100 -0.306 0.000 1.035 283 T CB 0.562 69.312 68.868 -0.195 0.000 0.932 283 T HN 0.477 nan 8.240 nan 0.000 0.469 284 R N 1.828 121.865 120.500 -0.771 0.000 2.651 284 R HA 0.485 4.825 4.340 0.000 0.000 0.278 284 R C -1.276 174.581 176.300 -0.738 0.000 1.010 284 R CA -0.738 54.931 56.100 -0.718 0.000 0.896 284 R CB 1.890 31.744 30.300 -0.744 0.000 1.211 284 R HN 0.484 nan 8.270 nan 0.000 0.456 285 F N 0.474 120.400 119.950 -0.041 0.000 2.397 285 F HA 0.211 4.738 4.527 -0.000 0.000 0.331 285 F C 1.651 177.601 175.800 0.250 0.000 1.090 285 F CA -0.786 57.265 58.000 0.085 0.000 1.065 285 F CB 1.336 40.369 39.000 0.054 0.000 1.184 285 F HN 0.201 nan 8.300 nan 0.000 0.499 286 V N -0.241 119.955 119.914 0.469 0.000 2.358 286 V HA -0.154 3.966 4.120 0.000 0.000 0.246 286 V C 0.299 176.421 176.094 0.047 0.000 1.047 286 V CA 1.690 64.149 62.300 0.265 0.000 1.035 286 V CB -0.343 31.601 31.823 0.201 0.000 0.658 286 V HN 0.735 nan 8.190 nan 0.000 0.452 287 D N -0.624 119.804 120.400 0.047 0.000 2.936 287 D HA 0.259 4.899 4.640 0.000 0.000 0.238 287 D C -0.147 176.163 176.300 0.016 0.000 1.248 287 D CA -0.463 53.455 54.000 -0.136 0.000 0.903 287 D CB 2.199 42.673 40.800 -0.543 0.000 1.544 287 D HN 0.301 nan 8.370 nan 0.000 0.543 288 I N 1.043 121.628 120.570 0.026 0.000 3.874 288 I HA 0.440 4.610 4.170 0.000 0.000 0.331 288 I C 0.801 176.928 176.117 0.018 0.000 1.489 288 I CA -0.690 60.631 61.300 0.034 0.000 1.187 288 I CB 0.441 38.501 38.000 0.100 0.000 1.150 288 I HN 0.111 nan 8.210 nan 0.000 0.412 289 G N 1.134 109.932 108.800 -0.004 0.000 2.557 289 G HA2 0.219 4.179 3.960 0.000 0.000 0.292 289 G HA3 0.219 4.179 3.960 0.000 0.000 0.292 289 G C 0.335 175.233 174.900 -0.003 0.000 1.237 289 G CA -0.499 44.602 45.100 0.000 0.000 0.978 289 G HN 0.150 nan 8.290 nan 0.000 0.498 290 K N -0.977 119.420 120.400 -0.005 0.000 2.365 290 K HA 0.068 4.388 4.320 0.000 0.000 0.197 290 K C 0.160 176.751 176.600 -0.015 0.000 1.042 290 K CA 0.734 57.017 56.287 -0.007 0.000 0.987 290 K CB 0.408 32.917 32.500 0.015 0.000 0.779 290 K HN 0.336 nan 8.250 nan 0.000 0.484 291 D N -0.258 120.149 120.400 0.011 0.000 2.886 291 D HA 0.093 4.733 4.640 0.000 0.000 0.355 291 D C -1.319 175.007 176.300 0.044 0.000 1.274 291 D CA -0.155 53.818 54.000 -0.046 0.000 0.836 291 D CB 0.118 40.898 40.800 -0.034 0.000 1.109 291 D HN -0.001 nan 8.370 nan 0.000 0.488 292 F N 2.219 122.132 119.950 -0.061 0.000 2.902 292 F HA 0.314 4.841 4.527 0.000 0.000 0.368 292 F C -1.841 174.050 175.800 0.151 0.000 1.202 292 F CA -0.837 57.178 58.000 0.025 0.000 1.109 292 F CB 0.937 39.954 39.000 0.028 0.000 1.418 292 F HN -0.105 nan 8.300 nan 0.000 0.527 293 Y N 3.879 124.053 120.300 -0.210 0.000 2.581 293 Y HA 0.587 5.137 4.550 0.000 0.000 0.345 293 Y C 0.181 176.111 175.900 0.050 0.000 1.036 293 Y CA -0.707 57.391 58.100 -0.004 0.000 1.042 293 Y CB 2.240 40.727 38.460 0.044 0.000 1.289 293 Y HN 0.721 nan 8.280 nan 0.000 0.471 294 A N 3.390 125.769 122.820 -0.734 0.000 2.791 294 A HA -0.305 4.015 4.320 0.000 0.000 0.292 294 A C -0.279 177.166 177.584 -0.231 0.000 1.487 294 A CA 0.900 52.653 52.037 -0.474 0.000 0.760 294 A CB -2.697 16.174 19.000 -0.216 0.000 1.031 294 A HN 1.012 nan 8.150 nan 0.000 0.503 295 F N 0.291 120.038 119.950 -0.338 0.000 2.608 295 F HA 0.426 4.954 4.527 0.000 0.000 0.380 295 F C 0.533 176.152 175.800 -0.301 0.000 1.083 295 F CA 1.644 59.441 58.000 -0.338 0.000 1.266 295 F CB 0.377 39.228 39.000 -0.247 0.000 1.076 295 F HN 0.636 nan 8.300 nan 0.000 0.574 296 Q N 4.122 123.256 119.800 -1.109 0.000 2.423 296 Q HA 0.351 4.691 4.340 0.000 0.000 0.278 296 Q C -1.240 174.028 176.000 -1.221 0.000 1.097 296 Q CA -0.896 54.310 55.803 -0.995 0.000 0.809 296 Q CB 2.277 30.699 28.738 -0.527 0.000 1.391 296 Q HN 0.743 nan 8.270 nan 0.000 0.428 297 T N 1.549 115.620 114.554 -0.805 0.000 2.928 297 T HA 0.491 4.841 4.350 0.000 0.000 0.284 297 T C -0.918 173.650 174.700 -0.221 0.000 1.008 297 T CA -0.260 61.551 62.100 -0.482 0.000 1.057 297 T CB 0.262 68.964 68.868 -0.278 0.000 1.018 297 T HN 0.352 nan 8.240 nan 0.000 0.493 298 F N 1.802 121.769 119.950 0.029 0.000 2.412 298 F HA 0.352 4.879 4.527 0.000 0.000 0.348 298 F C 1.279 177.231 175.800 0.253 0.000 1.102 298 F CA -0.094 58.030 58.000 0.206 0.000 1.196 298 F CB 1.108 40.312 39.000 0.339 0.000 1.144 298 F HN 0.393 nan 8.300 nan 0.000 0.541 299 S N 1.940 117.956 115.700 0.526 0.000 2.617 299 S HA 0.169 4.639 4.470 0.000 0.000 0.269 299 S C -0.068 174.822 174.600 0.484 0.000 1.292 299 S CA -0.528 57.951 58.200 0.466 0.000 1.010 299 S CB 0.590 64.063 63.200 0.455 0.000 0.944 299 S HN 0.666 nan 8.310 nan 0.000 0.536 300 E N -1.234 119.203 120.200 0.396 0.000 2.791 300 E HA -0.150 4.200 4.350 0.000 0.000 0.271 300 E C -0.713 176.039 176.600 0.253 0.000 1.044 300 E CA 0.343 56.952 56.400 0.349 0.000 0.814 300 E CB -2.513 27.427 29.700 0.399 0.000 1.400 300 E HN 0.301 nan 8.360 nan 0.000 0.423 301 V N 1.681 121.726 119.914 0.218 0.000 2.408 301 V HA 0.088 4.208 4.120 0.000 0.000 0.267 301 V C 0.999 177.100 176.094 0.012 0.000 1.047 301 V CA -0.009 62.348 62.300 0.095 0.000 0.937 301 V CB 0.680 32.623 31.823 0.199 0.000 0.999 301 V HN 0.184 nan 8.190 nan 0.000 0.472 302 E N 6.237 126.354 120.200 -0.139 0.000 2.283 302 E HA 0.394 4.745 4.350 0.000 0.000 0.278 302 E C -0.035 176.239 176.600 -0.543 0.000 1.027 302 E CA -0.657 55.575 56.400 -0.280 0.000 0.843 302 E CB 0.513 30.010 29.700 -0.338 0.000 1.062 302 E HN 0.943 nan 8.360 nan 0.000 0.401 303 H N 0.963 120.056 119.070 0.039 0.000 2.883 303 H HA -0.179 4.377 4.556 0.000 0.000 0.275 303 H C 0.235 175.584 175.328 0.034 0.000 0.761 303 H CA 0.399 56.465 56.048 0.029 0.000 0.870 303 H CB -1.786 27.986 29.762 0.017 0.000 1.492 303 H HN 1.524 nan 8.280 nan 0.000 0.288 304 G N 0.691 109.577 108.800 0.143 0.000 2.570 304 G HA2 0.145 4.105 3.960 0.000 0.000 0.686 304 G HA3 0.145 4.105 3.960 0.000 0.000 0.686 304 G C -1.034 173.938 174.900 0.120 0.000 1.257 304 G CA -0.530 44.641 45.100 0.117 0.000 0.846 304 G HN 0.969 nan 8.290 nan 0.000 0.627 305 V N 0.845 120.849 119.914 0.151 0.000 2.487 305 V HA 0.772 4.892 4.120 0.000 0.000 0.298 305 V C -0.245 176.026 176.094 0.296 0.000 1.028 305 V CA -0.753 61.667 62.300 0.201 0.000 0.860 305 V CB 1.469 33.409 31.823 0.194 0.000 0.991 305 V HN 0.811 nan 8.190 nan 0.000 0.427 306 L N 3.714 125.120 121.223 0.305 0.000 2.381 306 L HA 1.012 5.352 4.340 0.000 0.000 0.268 306 L C 0.282 177.426 176.870 0.456 0.000 0.997 306 L CA 0.238 55.298 54.840 0.367 0.000 0.818 306 L CB 2.093 44.262 42.059 0.182 0.000 1.310 306 L HN 0.836 nan 8.230 nan 0.000 0.416 307 G N 2.072 111.188 108.800 0.527 0.000 2.623 307 G HA2 0.681 4.641 3.960 0.000 0.000 0.290 307 G HA3 0.681 4.641 3.960 0.000 0.000 0.290 307 G C -2.169 173.002 174.900 0.451 0.000 1.437 307 G CA -0.514 44.741 45.100 0.259 0.000 0.798 307 G HN 0.582 nan 8.290 nan 0.000 0.488 308 L N -2.215 119.078 121.223 0.117 0.000 2.397 308 L HA 1.064 5.404 4.340 0.000 0.000 0.251 308 L C -0.051 176.809 176.870 -0.017 0.000 1.064 308 L CA -1.525 53.450 54.840 0.225 0.000 0.859 308 L CB 1.181 43.348 42.059 0.180 0.000 1.468 308 L HN 1.390 nan 8.230 nan 0.000 0.411 309 A N -0.873 121.875 122.820 -0.120 0.000 2.485 309 A HA 0.714 5.034 4.320 0.000 0.000 0.292 309 A C -2.058 175.427 177.584 -0.163 0.000 1.147 309 A CA -0.487 51.330 52.037 -0.367 0.000 0.750 309 A CB 1.015 19.278 19.000 -1.229 0.000 1.331 309 A HN 0.911 nan 8.150 nan 0.000 0.419 310 W N 1.601 122.721 121.300 -0.300 0.000 2.356 310 W HA 0.491 5.151 4.660 0.000 0.000 0.311 310 W C 0.224 176.637 176.519 -0.176 0.000 1.328 310 W CA -0.401 56.812 57.345 -0.220 0.000 1.251 310 W CB 0.675 30.021 29.460 -0.191 0.000 1.280 310 W HN 0.796 nan 8.180 nan 0.000 0.524 311 A N 5.385 128.037 122.820 -0.280 0.000 3.202 311 A HA 0.502 4.822 4.320 0.000 0.000 0.258 311 A C -0.014 177.289 177.584 -0.468 0.000 1.572 311 A CA 0.107 51.984 52.037 -0.267 0.000 1.241 311 A CB -0.360 18.606 19.000 -0.058 0.000 1.127 311 A HN 0.481 nan 8.150 nan 0.000 0.648 312 S N -0.034 115.114 115.700 -0.919 0.000 2.688 312 S HA 0.521 4.991 4.470 0.000 0.000 0.275 312 S C -1.716 172.303 174.600 -0.968 0.000 1.175 312 S CA -0.751 56.934 58.200 -0.858 0.000 0.818 312 S CB 1.279 63.898 63.200 -0.968 0.000 1.157 312 S HN 0.515 nan 8.310 nan 0.000 0.482 313 N N 0.172 118.404 118.700 -0.780 0.000 2.314 313 N HA 0.272 5.012 4.740 0.000 0.000 0.294 313 N C 0.032 175.132 175.510 -0.684 0.000 1.029 313 N CA -0.534 52.051 53.050 -0.776 0.000 0.845 313 N CB 1.034 39.065 38.487 -0.760 0.000 1.321 313 N HN 0.828 nan 8.380 nan 0.000 0.481 314 W N 1.672 122.714 121.300 -0.430 0.000 2.387 314 W HA -0.164 4.496 4.660 0.000 0.000 0.272 314 W C 2.101 178.505 176.519 -0.191 0.000 1.224 314 W CA 0.704 57.960 57.345 -0.148 0.000 1.210 314 W CB 0.437 29.811 29.460 -0.145 0.000 1.125 314 W HN 0.671 nan 8.180 nan 0.000 0.572 315 Q N -0.877 118.840 119.800 -0.139 0.000 2.432 315 Q HA -0.126 4.214 4.340 0.000 0.000 0.205 315 Q C 0.645 176.700 176.000 0.092 0.000 0.945 315 Q CA 1.138 56.857 55.803 -0.139 0.000 0.924 315 Q CB -0.405 28.120 28.738 -0.354 0.000 1.016 315 Q HN 0.593 nan 8.270 nan 0.000 0.503 316 Y N -4.429 116.017 120.300 0.243 0.000 2.729 316 Y HA 0.670 5.220 4.550 0.000 0.000 0.266 316 Y C 1.685 177.722 175.900 0.230 0.000 1.064 316 Y CA -0.539 57.743 58.100 0.303 0.000 1.251 316 Y CB -0.378 38.367 38.460 0.475 0.000 1.379 316 Y HN 0.022 nan 8.280 nan 0.000 0.569 317 A N 1.478 124.467 122.820 0.283 0.000 2.024 317 A HA -0.196 4.124 4.320 0.000 0.000 0.220 317 A C 1.481 179.343 177.584 0.463 0.000 1.164 317 A CA 2.107 54.339 52.037 0.326 0.000 0.643 317 A CB -0.692 18.477 19.000 0.283 0.000 0.806 317 A HN 0.572 nan 8.150 nan 0.000 0.451 318 D N -2.024 118.607 120.400 0.384 0.000 2.388 318 D HA 0.064 4.704 4.640 0.000 0.000 0.221 318 D C 0.905 177.270 176.300 0.109 0.000 1.133 318 D CA 0.135 54.286 54.000 0.252 0.000 0.831 318 D CB 0.064 40.859 40.800 -0.008 0.000 0.962 318 D HN 0.360 nan 8.370 nan 0.000 0.502 319 Q N 0.076 119.922 119.800 0.076 0.000 2.157 319 Q HA 0.152 4.492 4.340 0.000 0.000 0.235 319 Q C 0.747 176.548 176.000 -0.332 0.000 0.803 319 Q CA 0.019 55.822 55.803 0.002 0.000 0.967 319 Q CB 1.514 30.372 28.738 0.200 0.000 1.150 319 Q HN 0.360 nan 8.270 nan 0.000 0.482 320 V N 1.273 120.841 119.914 -0.577 0.000 2.655 320 V HA 0.214 4.334 4.120 0.000 0.000 0.300 320 V C -2.093 173.419 176.094 -0.970 0.000 1.044 320 V CA -1.401 60.125 62.300 -1.290 0.000 1.095 320 V CB 0.158 31.231 31.823 -1.251 0.000 0.952 320 V HN -0.010 nan 8.190 nan 0.000 0.485 321 P HA 0.179 nan 4.420 nan 0.000 0.235 321 P C -0.028 177.005 177.300 -0.444 0.000 1.765 321 P CA 0.269 63.045 63.100 -0.540 0.000 1.034 321 P CB -0.743 30.737 31.700 -0.367 0.000 1.984 322 T N -0.878 113.353 114.554 -0.537 0.000 2.876 322 T HA 0.630 4.980 4.350 0.000 0.000 0.289 322 T C -0.813 173.525 174.700 -0.604 0.000 1.014 322 T CA -0.875 60.793 62.100 -0.720 0.000 0.986 322 T CB 1.931 70.009 68.868 -1.316 0.000 1.021 322 T HN 0.022 nan 8.240 nan 0.000 0.458 323 N N 1.793 120.274 118.700 -0.365 0.000 2.367 323 N HA 0.547 5.287 4.740 0.000 0.000 0.278 323 N C -2.766 172.894 175.510 0.250 0.000 1.117 323 N CA -1.866 51.153 53.050 -0.052 0.000 0.867 323 N CB 2.607 41.081 38.487 -0.022 0.000 1.649 323 N HN 0.363 nan 8.380 nan 0.000 0.479 324 P HA 0.216 nan 4.420 nan 0.000 0.249 324 P C -1.222 176.252 177.300 0.291 0.000 1.583 324 P CA -0.017 63.207 63.100 0.206 0.000 0.988 324 P CB -0.775 31.022 31.700 0.162 0.000 1.530 325 W N 0.040 121.336 121.300 -0.007 0.000 2.975 325 W HA 0.702 5.362 4.660 0.000 0.000 0.342 325 W C -1.290 175.236 176.519 0.012 0.000 1.168 325 W CA -1.134 56.213 57.345 0.002 0.000 1.141 325 W CB 1.372 30.784 29.460 -0.080 0.000 1.445 325 W HN -0.386 nan 8.180 nan 0.000 0.560 326 R N 2.429 122.775 120.500 -0.256 0.000 2.673 326 R HA 0.626 4.966 4.340 0.000 0.000 0.281 326 R C -1.246 174.933 176.300 -0.201 0.000 0.991 326 R CA -0.925 54.936 56.100 -0.398 0.000 0.896 326 R CB 2.089 32.403 30.300 0.023 0.000 1.201 326 R HN 0.797 nan 8.270 nan 0.000 0.457 327 S N 0.299 115.904 115.700 -0.159 0.000 2.978 327 S HA -0.137 4.333 4.470 0.000 0.000 0.855 327 S C -0.768 173.876 174.600 0.073 0.000 0.951 327 S CA 0.205 58.394 58.200 -0.018 0.000 1.377 327 S CB -0.414 62.736 63.200 -0.084 0.000 0.983 327 S HN 0.866 nan 8.310 nan 0.000 0.235 328 S N 1.115 116.840 115.700 0.041 0.000 2.632 328 S HA 0.874 5.344 4.470 0.000 0.000 0.289 328 S C -0.158 174.455 174.600 0.021 0.000 1.115 328 S CA -0.104 58.084 58.200 -0.020 0.000 0.889 328 S CB 2.273 65.466 63.200 -0.012 0.000 1.116 328 S HN 1.050 nan 8.310 nan 0.000 0.486 329 T N 1.395 115.957 114.554 0.013 0.000 2.874 329 T HA 0.587 4.937 4.350 0.000 0.000 0.281 329 T C 0.515 175.313 174.700 0.164 0.000 0.994 329 T CA -0.136 61.990 62.100 0.045 0.000 1.015 329 T CB 0.461 69.301 68.868 -0.047 0.000 1.028 329 T HN 1.054 nan 8.240 nan 0.000 0.523 330 S N 2.292 118.096 115.700 0.174 0.000 2.655 330 S HA 0.520 4.990 4.470 0.000 0.000 0.265 330 S C 0.310 175.044 174.600 0.224 0.000 1.240 330 S CA -0.957 57.441 58.200 0.330 0.000 0.986 330 S CB 0.077 63.509 63.200 0.387 0.000 0.985 330 S HN 0.633 nan 8.310 nan 0.000 0.562 331 L N 1.089 122.392 121.223 0.133 0.000 2.482 331 L HA 0.354 4.694 4.340 0.000 0.000 0.273 331 L C 1.039 178.000 176.870 0.151 0.000 1.228 331 L CA -0.448 54.391 54.840 -0.002 0.000 0.827 331 L CB 0.008 42.036 42.059 -0.052 0.000 1.099 331 L HN 0.936 nan 8.230 nan 0.000 0.494 332 A N 3.238 126.116 122.820 0.098 0.000 2.407 332 A HA 0.495 4.815 4.320 0.000 0.000 0.248 332 A C -0.112 177.530 177.584 0.097 0.000 1.082 332 A CA -0.164 51.957 52.037 0.141 0.000 0.785 332 A CB 0.261 19.249 19.000 -0.020 0.000 1.020 332 A HN 0.779 nan 8.150 nan 0.000 0.489 333 R N 1.308 121.929 120.500 0.201 0.000 2.686 333 R HA 0.326 4.666 4.340 0.000 0.000 0.286 333 R C -0.950 175.346 176.300 -0.006 0.000 0.969 333 R CA -0.940 55.170 56.100 0.017 0.000 0.898 333 R CB 1.526 31.778 30.300 -0.079 0.000 1.183 333 R HN 0.760 nan 8.270 nan 0.000 0.456 334 N N 1.903 120.497 118.700 -0.177 0.000 2.419 334 N HA 0.151 4.891 4.740 0.000 0.000 0.264 334 N C -1.470 173.914 175.510 -0.209 0.000 1.031 334 N CA -0.019 52.981 53.050 -0.084 0.000 0.951 334 N CB 0.621 39.047 38.487 -0.103 0.000 1.101 334 N HN 0.413 nan 8.380 nan 0.000 0.488 335 Y N 1.179 121.507 120.300 0.046 0.000 2.328 335 Y HA 0.298 4.848 4.550 0.000 0.000 0.337 335 Y C 0.883 176.795 175.900 0.021 0.000 0.966 335 Y CA -0.474 57.651 58.100 0.042 0.000 1.136 335 Y CB 1.443 39.969 38.460 0.110 0.000 1.170 335 Y HN 0.406 nan 8.280 nan 0.000 0.470 336 T N 0.856 115.461 114.554 0.084 0.000 2.887 336 T HA 0.791 5.141 4.350 0.000 0.000 0.292 336 T C -1.042 173.667 174.700 0.014 0.000 1.087 336 T CA -1.028 61.098 62.100 0.043 0.000 1.009 336 T CB 1.428 70.298 68.868 0.003 0.000 1.203 336 T HN 0.426 nan 8.240 nan 0.000 0.518 337 L N 0.819 122.034 121.223 -0.014 0.000 2.329 337 L HA 0.744 5.084 4.340 0.000 0.000 0.279 337 L C 0.133 176.952 176.870 -0.086 0.000 1.014 337 L CA -0.911 53.895 54.840 -0.057 0.000 0.814 337 L CB 1.853 43.866 42.059 -0.076 0.000 1.257 337 L HN 0.689 nan 8.230 nan 0.000 0.424 338 R N 1.809 122.243 120.500 -0.111 0.000 2.651 338 R HA 0.358 4.698 4.340 0.000 0.000 0.278 338 R C -1.721 174.504 176.300 -0.125 0.000 1.010 338 R CA -0.732 55.320 56.100 -0.080 0.000 0.896 338 R CB 1.646 31.944 30.300 -0.003 0.000 1.211 338 R HN 0.409 nan 8.270 nan 0.000 0.456 339 Y N 2.444 122.756 120.300 0.021 0.000 2.480 339 Y HA 0.292 4.842 4.550 0.000 0.000 0.341 339 Y C 0.219 176.112 175.900 -0.011 0.000 1.031 339 Y CA 0.191 58.293 58.100 0.003 0.000 1.295 339 Y CB 1.266 39.716 38.460 -0.016 0.000 1.162 339 Y HN 0.166 nan 8.280 nan 0.000 0.523 340 V N 3.985 123.969 119.914 0.118 0.000 2.876 340 V HA 0.317 4.437 4.120 0.000 0.000 0.312 340 V C -0.877 175.266 176.094 0.082 0.000 1.085 340 V CA -1.091 61.266 62.300 0.095 0.000 0.945 340 V CB 1.625 33.515 31.823 0.111 0.000 1.017 340 V HN 0.738 nan 8.190 nan 0.000 0.428 341 H N 3.279 122.428 119.070 0.131 0.000 3.082 341 H HA 0.176 4.732 4.556 0.000 0.000 0.275 341 H C 1.152 176.575 175.328 0.159 0.000 1.032 341 H CA 0.841 56.972 56.048 0.139 0.000 1.477 341 H CB 1.093 30.935 29.762 0.133 0.000 1.520 341 H HN 0.779 nan 8.280 nan 0.000 0.521 342 T N 2.182 116.894 114.554 0.264 0.000 3.014 342 T HA -0.041 4.309 4.350 0.000 0.000 0.263 342 T C 0.441 175.320 174.700 0.299 0.000 1.078 342 T CA 0.680 62.935 62.100 0.257 0.000 1.135 342 T CB -0.056 68.927 68.868 0.191 0.000 0.895 342 T HN 0.718 nan 8.240 nan 0.000 0.480 343 N N -0.475 118.398 118.700 0.288 0.000 2.902 343 N HA 0.618 5.358 4.740 0.000 0.000 0.268 343 N C 0.882 176.549 175.510 0.263 0.000 1.450 343 N CA -0.308 52.903 53.050 0.268 0.000 0.819 343 N CB 0.451 39.050 38.487 0.187 0.000 1.540 343 N HN -0.131 nan 8.380 nan 0.000 0.545 344 A N -0.851 122.073 122.820 0.174 0.000 1.986 344 A HA -0.171 4.149 4.320 0.000 0.000 0.220 344 A C 1.635 179.262 177.584 0.072 0.000 1.171 344 A CA 1.537 53.610 52.037 0.061 0.000 0.640 344 A CB -0.698 18.336 19.000 0.056 0.000 0.811 344 A HN 0.700 nan 8.150 nan 0.000 0.451 345 E N -1.685 118.624 120.200 0.183 0.000 2.389 345 E HA 0.024 4.374 4.350 0.000 0.000 0.199 345 E C 1.455 178.202 176.600 0.244 0.000 0.978 345 E CA 1.017 57.526 56.400 0.182 0.000 0.912 345 E CB 0.317 30.083 29.700 0.110 0.000 0.907 345 E HN 0.584 nan 8.360 nan 0.000 0.494 346 T N 0.001 114.728 114.554 0.288 0.000 3.146 346 T HA 0.127 4.477 4.350 0.000 0.000 0.235 346 T C -0.286 174.419 174.700 0.009 0.000 0.985 346 T CA -0.035 62.149 62.100 0.140 0.000 1.265 346 T CB 0.690 69.634 68.868 0.126 0.000 0.946 346 T HN -0.046 nan 8.240 nan 0.000 0.418 347 K N 1.193 121.564 120.400 -0.048 0.000 6.556 347 K HA -0.096 4.224 4.320 0.000 0.000 0.677 347 K C -1.326 175.328 176.600 0.090 0.000 2.523 347 K CA 0.152 56.387 56.287 -0.088 0.000 1.914 347 K CB -0.266 32.111 32.500 -0.205 0.000 2.518 347 K HN 0.337 nan 8.250 nan 0.000 0.185 348 Q N 1.876 121.757 119.800 0.135 0.000 2.309 348 Q HA 0.278 4.618 4.340 0.000 0.000 0.273 348 Q C -0.633 175.412 176.000 0.074 0.000 1.040 348 Q CA -0.851 55.036 55.803 0.140 0.000 0.834 348 Q CB 2.230 31.032 28.738 0.108 0.000 1.345 348 Q HN 0.552 nan 8.270 nan 0.000 0.414 349 L N 2.885 124.088 121.223 -0.033 0.000 2.678 349 L HA 0.103 4.443 4.340 0.000 0.000 0.276 349 L C -0.469 176.359 176.870 -0.070 0.000 1.142 349 L CA 0.954 55.613 54.840 -0.302 0.000 0.961 349 L CB 0.098 41.922 42.059 -0.393 0.000 1.291 349 L HN 0.534 nan 8.230 nan 0.000 0.476 350 T N 4.629 119.158 114.554 -0.042 0.000 2.888 350 T HA 0.305 4.655 4.350 0.000 0.000 0.284 350 T C -0.295 174.426 174.700 0.036 0.000 1.017 350 T CA -0.627 61.519 62.100 0.076 0.000 1.022 350 T CB 2.016 70.942 68.868 0.097 0.000 1.013 350 T HN 0.291 nan 8.240 nan 0.000 0.465 351 L N 3.507 124.751 121.223 0.035 0.000 2.418 351 L HA 0.387 4.727 4.340 0.000 0.000 0.274 351 L C -0.936 175.902 176.870 -0.053 0.000 1.135 351 L CA 0.050 54.804 54.840 -0.143 0.000 0.870 351 L CB -0.282 41.371 42.059 -0.675 0.000 1.154 351 L HN 0.459 nan 8.230 nan 0.000 0.462 352 I N 5.026 125.575 120.570 -0.034 0.000 2.412 352 I HA 0.408 4.578 4.170 0.000 0.000 0.296 352 I C -0.213 175.823 176.117 -0.135 0.000 0.987 352 I CA 0.009 61.279 61.300 -0.051 0.000 1.180 352 I CB 1.677 39.653 38.000 -0.039 0.000 1.340 352 I HN 0.702 nan 8.210 nan 0.000 0.455 353 Q N 5.533 125.207 119.800 -0.209 0.000 2.372 353 Q HA 0.639 4.979 4.340 0.000 0.000 0.273 353 Q C -1.676 174.173 176.000 -0.252 0.000 1.078 353 Q CA -1.026 54.502 55.803 -0.459 0.000 0.806 353 Q CB 2.697 30.977 28.738 -0.763 0.000 1.332 353 Q HN 0.464 nan 8.270 nan 0.000 0.435 354 N N 2.103 120.583 118.700 -0.366 0.000 2.242 354 N HA 0.515 5.255 4.740 0.000 0.000 0.292 354 N C -2.861 172.347 175.510 -0.503 0.000 1.125 354 N CA -1.353 51.409 53.050 -0.480 0.000 0.783 354 N CB 2.667 40.914 38.487 -0.400 0.000 1.558 354 N HN 0.487 nan 8.380 nan 0.000 0.472 355 P HA 0.133 nan 4.420 nan 0.000 0.274 355 P C 0.673 177.780 177.300 -0.322 0.000 1.231 355 P CA -0.320 62.522 63.100 -0.430 0.000 0.790 355 P CB 1.394 32.819 31.700 -0.458 0.000 0.951 356 V N 3.065 122.849 119.914 -0.218 0.000 2.278 356 V HA -0.101 4.019 4.120 0.000 0.000 0.231 356 V C 1.113 177.086 176.094 -0.203 0.000 1.048 356 V CA 0.583 62.754 62.300 -0.214 0.000 1.015 356 V CB -1.229 30.457 31.823 -0.228 0.000 0.652 356 V HN 0.498 nan 8.190 nan 0.000 0.466 357 L N 0.264 121.380 121.223 -0.178 0.000 3.086 357 L HA -0.150 4.190 4.340 0.000 0.000 0.560 357 L C -1.627 175.163 176.870 -0.133 0.000 1.001 357 L CA -0.561 54.191 54.840 -0.147 0.000 1.293 357 L CB -1.069 40.916 42.059 -0.124 0.000 1.368 357 L HN 0.294 nan 8.230 nan 0.000 0.663 358 P HA -0.164 nan 4.420 nan 0.000 0.218 358 P C 0.243 177.502 177.300 -0.068 0.000 1.146 358 P CA 1.571 64.620 63.100 -0.084 0.000 0.813 358 P CB 0.054 31.721 31.700 -0.055 0.000 0.778 359 D N -0.909 119.450 120.400 -0.068 0.000 4.288 359 D HA -0.132 4.508 4.640 0.000 0.000 0.234 359 D C -0.075 176.201 176.300 -0.040 0.000 1.054 359 D CA 1.088 55.056 54.000 -0.055 0.000 1.227 359 D CB -1.018 39.744 40.800 -0.063 0.000 0.788 359 D HN 0.238 nan 8.370 nan 0.000 0.393 360 S N -0.380 115.301 115.700 -0.031 0.000 2.408 360 S HA -0.125 4.345 4.470 0.000 0.000 0.243 360 S C -0.032 174.563 174.600 -0.008 0.000 1.518 360 S CA -0.023 58.163 58.200 -0.023 0.000 0.931 360 S CB -2.365 60.822 63.200 -0.023 0.000 1.227 360 S HN 0.738 nan 8.310 nan 0.000 0.761 361 I N 1.931 122.493 120.570 -0.014 0.000 2.612 361 I HA 0.459 4.629 4.170 0.000 0.000 0.295 361 I C 0.761 176.867 176.117 -0.019 0.000 1.011 361 I CA -0.678 60.619 61.300 -0.006 0.000 1.326 361 I CB 0.174 38.152 38.000 -0.037 0.000 1.427 361 I HN 0.245 nan 8.210 nan 0.000 0.537 362 N N 2.683 121.372 118.700 -0.018 0.000 2.452 362 N HA 0.201 4.941 4.740 0.000 0.000 0.266 362 N C -1.062 174.410 175.510 -0.062 0.000 1.209 362 N CA -0.246 52.780 53.050 -0.040 0.000 0.929 362 N CB 0.724 39.187 38.487 -0.041 0.000 1.063 362 N HN 0.364 nan 8.380 nan 0.000 0.472 363 V N 4.415 124.289 119.914 -0.066 0.000 2.304 363 V HA 0.035 4.155 4.120 0.000 0.000 0.269 363 V C 1.386 177.409 176.094 -0.119 0.000 1.036 363 V CA -0.359 61.889 62.300 -0.087 0.000 0.840 363 V CB 1.074 32.860 31.823 -0.063 0.000 1.036 363 V HN 0.529 nan 8.190 nan 0.000 0.466 364 V N 3.291 123.107 119.914 -0.164 0.000 2.214 364 V HA -0.090 4.030 4.120 0.000 0.000 0.245 364 V C 0.901 176.862 176.094 -0.222 0.000 1.047 364 V CA 2.235 64.426 62.300 -0.181 0.000 0.998 364 V CB -0.302 31.398 31.823 -0.204 0.000 0.633 364 V HN 1.101 nan 8.190 nan 0.000 0.446 365 D N -1.179 118.986 120.400 -0.392 0.000 2.759 365 D HA 0.394 5.034 4.640 0.000 0.000 0.321 365 D C -0.957 175.009 176.300 -0.557 0.000 1.267 365 D CA -0.723 53.044 54.000 -0.388 0.000 0.933 365 D CB 2.340 42.984 40.800 -0.261 0.000 1.431 365 D HN 0.475 nan 8.370 nan 0.000 0.504 366 K N -0.948 119.317 120.400 -0.225 0.000 2.318 366 K HA 0.786 5.106 4.320 0.000 0.000 0.265 366 K C -1.477 175.323 176.600 0.332 0.000 1.055 366 K CA -1.148 55.175 56.287 0.061 0.000 0.896 366 K CB 2.006 34.542 32.500 0.061 0.000 1.479 366 K HN 0.386 nan 8.250 nan 0.000 0.449 367 L N 0.586 122.004 121.223 0.324 0.000 2.528 367 L HA 0.487 4.827 4.340 0.000 0.000 0.267 367 L C -1.717 175.243 176.870 0.149 0.000 0.961 367 L CA -0.404 54.575 54.840 0.232 0.000 0.866 367 L CB 1.796 43.979 42.059 0.206 0.000 1.248 367 L HN 0.626 nan 8.230 nan 0.000 0.404 368 K N 4.649 125.112 120.400 0.106 0.000 2.207 368 K HA 0.665 4.985 4.320 0.000 0.000 0.255 368 K C -1.262 175.374 176.600 0.060 0.000 0.941 368 K CA -0.934 55.401 56.287 0.080 0.000 0.825 368 K CB 2.471 35.010 32.500 0.066 0.000 1.119 368 K HN 0.486 nan 8.250 nan 0.000 0.430 369 K N 1.598 122.028 120.400 0.051 0.000 2.536 369 K HA 0.404 4.724 4.320 0.000 0.000 0.269 369 K C -1.273 175.347 176.600 0.033 0.000 0.965 369 K CA -0.828 55.480 56.287 0.035 0.000 0.860 369 K CB 2.350 34.864 32.500 0.025 0.000 1.423 369 K HN 0.285 nan 8.250 nan 0.000 0.438 370 K N 1.441 121.857 120.400 0.026 0.000 2.385 370 K HA 0.341 4.661 4.320 0.000 0.000 0.248 370 K C -0.737 175.875 176.600 0.019 0.000 0.955 370 K CA -0.884 55.418 56.287 0.025 0.000 0.816 370 K CB 1.618 34.131 32.500 0.023 0.000 1.250 370 K HN 0.697 nan 8.250 nan 0.000 0.434 371 N N -0.190 118.523 118.700 0.021 0.000 2.716 371 N HA -0.168 4.572 4.740 0.000 0.000 0.250 371 N C -0.611 174.907 175.510 0.013 0.000 1.033 371 N CA 0.488 53.550 53.050 0.018 0.000 0.727 371 N CB -1.426 37.070 38.487 0.016 0.000 0.950 371 N HN 0.176 nan 8.380 nan 0.000 0.541 372 V N 1.151 121.070 119.914 0.008 0.000 2.389 372 V HA 0.044 4.164 4.120 0.000 0.000 0.264 372 V C 1.018 177.109 176.094 -0.004 0.000 1.049 372 V CA -0.226 62.073 62.300 -0.002 0.000 0.932 372 V CB 0.940 32.755 31.823 -0.013 0.000 1.011 372 V HN 0.058 nan 8.190 nan 0.000 0.475 373 K N 6.171 126.572 120.400 0.002 0.000 2.262 373 K HA 0.347 4.667 4.320 0.000 0.000 0.288 373 K C -0.290 176.313 176.600 0.005 0.000 1.090 373 K CA -0.251 56.040 56.287 0.007 0.000 0.918 373 K CB 0.707 33.212 32.500 0.007 0.000 1.139 373 K HN 0.547 nan 8.250 nan 0.000 0.462 374 L N 2.962 124.188 121.223 0.006 0.000 2.453 374 L HA 0.038 4.378 4.340 0.000 0.000 0.272 374 L C 0.800 177.694 176.870 0.040 0.000 1.182 374 L CA 0.679 55.525 54.840 0.010 0.000 0.858 374 L CB 0.549 42.603 42.059 -0.008 0.000 1.120 374 L HN 0.783 nan 8.230 nan 0.000 0.474 375 T N -1.175 113.398 114.554 0.032 0.000 2.787 375 T HA 0.202 4.552 4.350 0.000 0.000 0.297 375 T C 0.686 175.407 174.700 0.035 0.000 1.221 375 T CA -0.688 61.436 62.100 0.040 0.000 1.006 375 T CB 1.126 70.009 68.868 0.025 0.000 1.328 375 T HN 0.618 nan 8.240 nan 0.000 0.509 376 N N 0.426 119.147 118.700 0.036 0.000 2.453 376 N HA -0.098 4.643 4.740 0.000 0.000 0.183 376 N C 0.929 176.445 175.510 0.011 0.000 1.041 376 N CA 0.677 53.742 53.050 0.025 0.000 0.900 376 N CB -0.204 38.298 38.487 0.025 0.000 0.961 376 N HN 0.640 nan 8.380 nan 0.000 0.443 377 K N -0.016 120.390 120.400 0.009 0.000 2.387 377 K HA 0.212 4.532 4.320 0.000 0.000 0.198 377 K C 0.197 176.796 176.600 -0.001 0.000 1.022 377 K CA 0.105 56.394 56.287 0.002 0.000 1.128 377 K CB 0.530 33.032 32.500 0.003 0.000 0.853 377 K HN 0.068 nan 8.250 nan 0.000 0.523 378 K N 1.561 121.960 120.400 -0.002 0.000 3.239 378 K HA 0.164 4.484 4.320 0.000 0.000 0.204 378 K C -2.760 173.830 176.600 -0.016 0.000 1.126 378 K CA -1.214 55.068 56.287 -0.008 0.000 0.948 378 K CB 1.286 33.782 32.500 -0.006 0.000 0.818 378 K HN -0.005 nan 8.250 nan 0.000 0.480 379 P HA 0.115 nan 4.420 nan 0.000 0.271 379 P C -0.132 177.141 177.300 -0.045 0.000 1.220 379 P CA -0.236 62.845 63.100 -0.032 0.000 0.768 379 P CB 0.693 32.373 31.700 -0.033 0.000 0.848 380 I N 3.665 124.202 120.570 -0.056 0.000 2.396 380 I HA 0.229 4.399 4.170 0.000 0.000 0.289 380 I C 0.946 177.005 176.117 -0.096 0.000 1.056 380 I CA -0.094 61.166 61.300 -0.067 0.000 1.365 380 I CB -0.395 37.566 38.000 -0.065 0.000 1.407 380 I HN 0.293 nan 8.210 nan 0.000 0.509 381 K N 3.845 124.180 120.400 -0.108 0.000 2.427 381 K HA 0.405 4.725 4.320 0.000 0.000 0.252 381 K C -0.274 176.196 176.600 -0.215 0.000 0.931 381 K CA -0.707 55.489 56.287 -0.151 0.000 0.793 381 K CB 2.257 34.684 32.500 -0.121 0.000 1.211 381 K HN 0.420 nan 8.250 nan 0.000 0.426 382 T N 1.725 116.080 114.554 -0.332 0.000 2.916 382 T HA 0.052 4.402 4.350 0.000 0.000 0.303 382 T C -0.042 174.379 174.700 -0.464 0.000 1.025 382 T CA 0.312 62.048 62.100 -0.607 0.000 1.142 382 T CB -0.003 68.362 68.868 -0.837 0.000 0.947 382 T HN 0.448 nan 8.240 nan 0.000 0.544 383 N N 2.523 120.944 118.700 -0.466 0.000 2.733 383 N HA 0.282 5.022 4.740 0.000 0.000 0.271 383 N C -0.287 175.268 175.510 0.075 0.000 1.720 383 N CA -0.306 52.657 53.050 -0.144 0.000 0.803 383 N CB -0.121 38.335 38.487 -0.051 0.000 1.208 383 N HN 0.320 nan 8.380 nan 0.000 0.498 384 F N 1.205 121.203 119.950 0.079 0.000 2.446 384 F HA 0.341 4.868 4.527 0.000 0.000 0.292 384 F C 0.992 176.841 175.800 0.082 0.000 1.096 384 F CA 0.297 58.355 58.000 0.095 0.000 1.438 384 F CB -0.260 38.831 39.000 0.153 0.000 1.107 384 F HN 0.255 nan 8.300 nan 0.000 0.546 385 K N 0.874 121.434 120.400 0.267 0.000 6.826 385 K HA -0.071 4.249 4.320 0.000 0.000 0.788 385 K C -0.092 176.613 176.600 0.175 0.000 2.287 385 K CA 0.603 56.999 56.287 0.181 0.000 1.704 385 K CB -1.172 31.407 32.500 0.133 0.000 2.053 385 K HN 0.789 nan 8.250 nan 0.000 0.296 386 G N 1.563 110.466 108.800 0.172 0.000 2.731 386 G HA2 -0.075 3.885 3.960 0.000 0.000 0.686 386 G HA3 -0.075 3.885 3.960 0.000 0.000 0.686 386 G C -0.725 174.250 174.900 0.126 0.000 1.395 386 G CA 0.051 45.235 45.100 0.141 0.000 0.870 386 G HN 1.453 nan 8.290 nan 0.000 0.591 387 S N 0.278 116.001 115.700 0.038 0.000 2.720 387 S HA 0.693 5.163 4.470 0.000 0.000 0.278 387 S C 0.243 174.850 174.600 0.012 0.000 1.172 387 S CA 0.413 58.612 58.200 -0.001 0.000 1.019 387 S CB 1.163 64.183 63.200 -0.300 0.000 1.049 387 S HN 1.251 nan 8.310 nan 0.000 0.483 388 T N 3.914 118.390 114.554 -0.131 0.000 2.919 388 T HA 0.282 4.633 4.350 0.000 0.000 0.302 388 T C 1.735 176.297 174.700 -0.229 0.000 1.031 388 T CA 0.325 62.300 62.100 -0.209 0.000 1.127 388 T CB 0.922 69.625 68.868 -0.275 0.000 0.952 388 T HN 0.823 nan 8.240 nan 0.000 0.540 389 G N 1.748 110.430 108.800 -0.196 0.000 2.479 389 G HA2 -0.077 3.884 3.960 0.000 0.000 0.220 389 G HA3 -0.077 3.884 3.960 0.000 0.000 0.220 389 G C 0.481 175.396 174.900 0.026 0.000 1.115 389 G CA 0.401 45.508 45.100 0.011 0.000 0.757 389 G HN 0.555 nan 8.290 nan 0.000 0.560 390 L N -0.006 121.083 121.223 -0.223 0.000 2.289 390 L HA 0.746 5.087 4.340 0.000 0.000 0.285 390 L C -1.307 175.308 176.870 -0.426 0.000 1.049 390 L CA -0.971 53.774 54.840 -0.158 0.000 0.804 390 L CB 0.831 42.824 42.059 -0.110 0.000 1.195 390 L HN -0.021 nan 8.230 nan 0.000 0.428 391 F N 2.235 122.256 119.950 0.118 0.000 2.613 391 F HA 0.577 5.104 4.527 0.000 0.000 0.314 391 F C -0.740 175.106 175.800 0.076 0.000 1.075 391 F CA -0.773 57.308 58.000 0.134 0.000 0.945 391 F CB 1.969 41.092 39.000 0.204 0.000 1.310 391 F HN 0.613 nan 8.300 nan 0.000 0.467 392 D N 0.132 120.692 120.400 0.266 0.000 2.645 392 D HA 0.626 5.266 4.640 0.000 0.000 0.228 392 D C -1.444 174.909 176.300 0.089 0.000 1.148 392 D CA -0.609 53.373 54.000 -0.030 0.000 0.860 392 D CB 1.764 42.471 40.800 -0.154 0.000 1.548 392 D HN 0.301 nan 8.370 nan 0.000 0.460 393 F N -0.573 119.289 119.950 -0.146 0.000 2.569 393 F HA 0.645 5.172 4.527 0.000 0.000 0.312 393 F C -1.011 174.758 175.800 -0.052 0.000 1.109 393 F CA -0.963 57.007 58.000 -0.049 0.000 0.919 393 F CB 1.843 40.820 39.000 -0.038 0.000 1.211 393 F HN 0.276 nan 8.300 nan 0.000 0.446 394 N N 3.885 122.719 118.700 0.224 0.000 2.461 394 N HA 0.606 5.346 4.740 0.000 0.000 0.284 394 N C -1.832 173.820 175.510 0.237 0.000 1.049 394 N CA -0.429 52.778 53.050 0.262 0.000 0.889 394 N CB 1.604 40.279 38.487 0.315 0.000 1.365 394 N HN 0.802 nan 8.380 nan 0.000 0.499 395 I N 1.547 122.274 120.570 0.261 0.000 2.569 395 I HA 0.293 4.463 4.170 0.000 0.000 0.290 395 I C -0.288 176.002 176.117 0.289 0.000 1.088 395 I CA -0.591 60.868 61.300 0.266 0.000 1.047 395 I CB 2.415 40.603 38.000 0.314 0.000 1.237 395 I HN 0.232 nan 8.210 nan 0.000 0.421 396 T N 6.291 120.974 114.554 0.216 0.000 2.794 396 T HA 0.684 5.034 4.350 0.000 0.000 0.280 396 T C -0.694 174.137 174.700 0.217 0.000 0.987 396 T CA -0.364 61.830 62.100 0.156 0.000 0.993 396 T CB 0.713 69.617 68.868 0.060 0.000 0.939 396 T HN 0.411 nan 8.240 nan 0.000 0.449 397 F N 0.126 120.122 119.950 0.076 0.000 2.613 397 F HA 0.795 5.322 4.527 0.000 0.000 0.314 397 F C -0.749 175.110 175.800 0.098 0.000 1.075 397 F CA -1.411 56.620 58.000 0.052 0.000 0.945 397 F CB 1.528 40.519 39.000 -0.016 0.000 1.310 397 F HN 0.153 nan 8.300 nan 0.000 0.467 398 K N 1.871 122.416 120.400 0.242 0.000 2.164 398 K HA 0.633 4.953 4.320 0.000 0.000 0.258 398 K C -1.412 175.366 176.600 0.296 0.000 0.951 398 K CA -1.134 55.247 56.287 0.157 0.000 0.844 398 K CB 2.589 35.137 32.500 0.081 0.000 1.099 398 K HN 0.583 nan 8.250 nan 0.000 0.435 399 V N 4.999 125.060 119.914 0.245 0.000 2.368 399 V HA 0.111 4.231 4.120 0.000 0.000 0.266 399 V C -0.028 176.071 176.094 0.008 0.000 1.045 399 V CA -0.715 61.661 62.300 0.126 0.000 0.899 399 V CB 0.417 32.372 31.823 0.220 0.000 1.006 399 V HN 0.531 nan 8.190 nan 0.000 0.470 400 L N 4.263 125.440 121.223 -0.076 0.000 2.466 400 L HA 0.320 4.660 4.340 0.000 0.000 0.257 400 L C 0.652 177.478 176.870 -0.073 0.000 1.189 400 L CA -0.036 54.770 54.840 -0.057 0.000 0.813 400 L CB 0.061 42.083 42.059 -0.061 0.000 1.118 400 L HN 0.539 nan 8.230 nan 0.000 0.471 401 N N 1.548 120.224 118.700 -0.040 0.000 2.399 401 N HA 0.434 5.174 4.740 0.000 0.000 0.259 401 N C -1.182 174.298 175.510 -0.051 0.000 1.160 401 N CA 0.048 53.076 53.050 -0.037 0.000 0.946 401 N CB 0.057 38.536 38.487 -0.015 0.000 1.156 401 N HN 0.332 nan 8.380 nan 0.000 0.489 402 L N 2.663 123.843 121.223 -0.071 0.000 2.588 402 L HA 0.328 4.668 4.340 0.000 0.000 0.263 402 L C -1.125 175.704 176.870 -0.068 0.000 0.935 402 L CA -0.430 54.369 54.840 -0.068 0.000 0.891 402 L CB 1.500 43.508 42.059 -0.085 0.000 1.318 402 L HN 0.463 nan 8.230 nan 0.000 0.409 403 N N 3.473 122.150 118.700 -0.039 0.000 2.452 403 N HA 0.501 5.242 4.740 0.000 0.000 0.266 403 N C -1.170 174.329 175.510 -0.018 0.000 1.175 403 N CA -0.130 52.904 53.050 -0.025 0.000 0.945 403 N CB 1.126 39.607 38.487 -0.011 0.000 1.063 403 N HN 0.335 nan 8.380 nan 0.000 0.472 404 V N 1.693 121.602 119.914 -0.008 0.000 2.841 404 V HA 0.194 4.315 4.120 0.000 0.000 0.310 404 V C -0.000 176.136 176.094 0.071 0.000 1.090 404 V CA -0.947 61.372 62.300 0.031 0.000 0.930 404 V CB 2.003 33.844 31.823 0.030 0.000 1.014 404 V HN 0.778 nan 8.190 nan 0.000 0.425 405 S N 4.283 120.025 115.700 0.070 0.000 2.558 405 S HA 0.128 4.598 4.470 0.000 0.000 0.288 405 S C -1.586 173.066 174.600 0.085 0.000 1.318 405 S CA -0.437 57.799 58.200 0.059 0.000 1.056 405 S CB 0.454 63.676 63.200 0.036 0.000 0.853 405 S HN 0.629 nan 8.310 nan 0.000 0.505 406 P HA -0.096 nan 4.420 nan 0.000 0.218 406 P C 1.342 178.628 177.300 -0.024 0.000 1.154 406 P CA 1.890 65.014 63.100 0.041 0.000 0.872 406 P CB -0.398 31.305 31.700 0.005 0.000 0.790 407 G N -2.225 106.542 108.800 -0.055 0.000 3.056 407 G HA2 0.200 4.160 3.960 0.000 0.000 0.175 407 G HA3 0.200 4.160 3.960 0.000 0.000 0.175 407 G C 0.504 175.298 174.900 -0.178 0.000 1.894 407 G CA 0.823 45.842 45.100 -0.135 0.000 0.910 407 G HN -0.001 nan 8.290 nan 0.000 0.462 408 K N -2.297 118.050 120.400 -0.089 0.000 6.001 408 K HA -0.225 4.095 4.320 0.000 0.000 0.277 408 K C 0.694 177.232 176.600 -0.104 0.000 0.834 408 K CA 2.401 58.661 56.287 -0.046 0.000 0.935 408 K CB -1.709 30.833 32.500 0.071 0.000 0.754 408 K HN 1.303 nan 8.250 nan 0.000 0.818 409 T N -0.471 113.983 114.554 -0.167 0.000 5.326 409 T HA 0.039 4.389 4.350 0.000 0.000 0.149 409 T C -1.530 173.159 174.700 -0.018 0.000 0.596 409 T CA 0.139 62.152 62.100 -0.146 0.000 0.455 409 T CB -1.174 67.653 68.868 -0.067 0.000 0.579 409 T HN 0.458 nan 8.240 nan 0.000 0.233 410 H N 1.678 120.814 119.070 0.109 0.000 3.199 410 H HA 0.012 4.568 4.556 0.000 0.000 0.267 410 H C 1.011 176.336 175.328 -0.005 0.000 0.848 410 H CA 1.197 57.408 56.048 0.273 0.000 1.426 410 H CB -0.929 29.080 29.762 0.412 0.000 1.350 410 H HN 0.707 nan 8.280 nan 0.000 0.527 411 F N 1.837 121.747 119.950 -0.067 0.000 2.023 411 F HA -0.272 4.255 4.527 0.000 0.000 0.436 411 F C -0.903 174.722 175.800 -0.292 0.000 0.764 411 F CA 0.087 57.891 58.000 -0.327 0.000 1.010 411 F CB -0.040 38.575 39.000 -0.642 0.000 0.809 411 F HN 0.491 nan 8.300 nan 0.000 0.537 412 D N 5.375 125.628 120.400 -0.245 0.000 2.433 412 D HA 0.561 5.201 4.640 0.000 0.000 0.236 412 D C -0.586 175.598 176.300 -0.192 0.000 1.026 412 D CA -0.493 53.312 54.000 -0.326 0.000 0.884 412 D CB 1.880 42.590 40.800 -0.150 0.000 1.384 412 D HN 0.776 nan 8.370 nan 0.000 0.477 413 I N -0.054 120.351 120.570 -0.276 0.000 2.339 413 I HA 0.427 4.597 4.170 0.000 0.000 0.290 413 I C -1.694 174.241 176.117 -0.304 0.000 0.994 413 I CA -0.390 60.739 61.300 -0.286 0.000 1.191 413 I CB 0.673 38.421 38.000 -0.421 0.000 1.343 413 I HN 0.294 nan 8.210 nan 0.000 0.458 414 L N 7.657 128.725 121.223 -0.258 0.000 2.296 414 L HA 0.548 4.888 4.340 0.000 0.000 0.286 414 L C -0.499 176.216 176.870 -0.259 0.000 1.023 414 L CA -0.550 54.159 54.840 -0.218 0.000 0.812 414 L CB 1.381 43.350 42.059 -0.150 0.000 1.223 414 L HN 0.570 nan 8.230 nan 0.000 0.421 415 I N 3.947 124.367 120.570 -0.250 0.000 2.306 415 I HA 0.246 4.416 4.170 0.000 0.000 0.288 415 I C -0.272 175.745 176.117 -0.166 0.000 1.036 415 I CA -0.167 60.984 61.300 -0.249 0.000 1.221 415 I CB 0.527 38.368 38.000 -0.265 0.000 1.385 415 I HN 0.605 nan 8.210 nan 0.000 0.472 416 N N 4.431 123.044 118.700 -0.145 0.000 2.456 416 N HA 0.382 5.122 4.740 0.000 0.000 0.296 416 N C -0.226 175.272 175.510 -0.020 0.000 1.102 416 N CA -0.424 52.578 53.050 -0.080 0.000 0.924 416 N CB 2.056 40.489 38.487 -0.091 0.000 1.186 416 N HN 0.564 nan 8.380 nan 0.000 0.492 417 S N 0.165 115.863 115.700 -0.004 0.000 2.686 417 S HA 0.201 4.671 4.470 0.000 0.000 0.270 417 S C 0.218 174.730 174.600 -0.147 0.000 1.194 417 S CA -0.791 57.406 58.200 -0.005 0.000 0.990 417 S CB 0.439 63.634 63.200 -0.008 0.000 1.029 417 S HN 0.523 nan 8.310 nan 0.000 0.560 418 Q N -0.052 119.479 119.800 -0.449 0.000 2.469 418 Q HA 0.123 4.463 4.340 0.000 0.000 0.279 418 Q C -0.348 175.465 176.000 -0.312 0.000 1.097 418 Q CA 0.170 55.573 55.803 -0.667 0.000 0.951 418 Q CB -0.091 28.030 28.738 -1.029 0.000 1.297 418 Q HN 0.763 nan 8.270 nan 0.000 0.465 419 E N 0.596 120.652 120.200 -0.240 0.000 2.349 419 E HA 0.165 4.515 4.350 0.000 0.000 0.201 419 E C -0.546 175.981 176.600 -0.122 0.000 1.087 419 E CA -0.210 56.104 56.400 -0.144 0.000 1.128 419 E CB 0.165 29.802 29.700 -0.106 0.000 1.188 419 E HN 0.388 nan 8.360 nan 0.000 0.445 420 L N 1.336 122.472 121.223 -0.145 0.000 2.416 420 L HA 0.070 4.410 4.340 0.000 0.000 0.272 420 L C 0.690 177.509 176.870 -0.083 0.000 1.161 420 L CA -0.100 54.674 54.840 -0.111 0.000 0.845 420 L CB 0.303 42.288 42.059 -0.123 0.000 1.119 420 L HN 0.298 nan 8.230 nan 0.000 0.464 421 N N 1.715 120.377 118.700 -0.063 0.000 2.862 421 N HA -0.200 4.540 4.740 0.000 0.000 0.248 421 N C 0.499 175.985 175.510 -0.041 0.000 1.116 421 N CA 0.929 53.950 53.050 -0.049 0.000 0.727 421 N CB -0.966 37.491 38.487 -0.050 0.000 1.083 421 N HN 0.821 nan 8.380 nan 0.000 0.555 422 S N -3.068 112.606 115.700 -0.042 0.000 3.533 422 S HA -0.227 4.243 4.470 0.000 0.000 0.347 422 S C 0.061 174.641 174.600 -0.034 0.000 1.101 422 S CA 1.253 59.431 58.200 -0.036 0.000 1.009 422 S CB -2.492 60.691 63.200 -0.028 0.000 0.916 422 S HN 1.973 nan 8.310 nan 0.000 0.496 423 S N -1.827 113.849 115.700 -0.041 0.000 2.570 423 S HA 0.787 5.257 4.470 0.000 0.000 0.270 423 S C -0.903 173.670 174.600 -0.046 0.000 1.149 423 S CA -0.278 57.901 58.200 -0.035 0.000 0.837 423 S CB 1.994 65.178 63.200 -0.026 0.000 1.124 423 S HN 1.493 nan 8.310 nan 0.000 0.465 424 V N 1.693 121.583 119.914 -0.038 0.000 2.483 424 V HA 0.526 4.646 4.120 0.000 0.000 0.297 424 V C -1.609 174.472 176.094 -0.021 0.000 1.027 424 V CA -0.485 61.788 62.300 -0.045 0.000 0.855 424 V CB 1.467 33.257 31.823 -0.055 0.000 0.995 424 V HN 1.009 nan 8.190 nan 0.000 0.424 425 D N 4.189 124.584 120.400 -0.008 0.000 2.255 425 D HA 0.677 5.317 4.640 0.000 0.000 0.249 425 D C -0.241 176.072 176.300 0.023 0.000 1.078 425 D CA 0.443 54.459 54.000 0.026 0.000 0.896 425 D CB 1.683 42.520 40.800 0.062 0.000 1.194 425 D HN 0.803 nan 8.370 nan 0.000 0.429 426 S N 0.382 116.095 115.700 0.021 0.000 2.535 426 S HA 0.668 5.138 4.470 0.000 0.000 0.272 426 S C -0.513 174.074 174.600 -0.023 0.000 1.149 426 S CA -1.057 57.132 58.200 -0.019 0.000 0.888 426 S CB 0.604 63.777 63.200 -0.044 0.000 1.110 426 S HN 0.459 nan 8.310 nan 0.000 0.463 427 I N -0.803 119.708 120.570 -0.098 0.000 2.822 427 I HA 0.789 4.959 4.170 0.000 0.000 0.312 427 I C -0.605 175.442 176.117 -0.116 0.000 1.011 427 I CA -0.991 60.246 61.300 -0.104 0.000 1.105 427 I CB 1.738 39.608 38.000 -0.217 0.000 1.291 427 I HN 0.764 nan 8.210 nan 0.000 0.474 428 K N 3.682 124.040 120.400 -0.071 0.000 2.471 428 K HA 0.685 5.005 4.320 0.000 0.000 0.252 428 K C -1.845 174.708 176.600 -0.079 0.000 0.938 428 K CA -0.566 55.678 56.287 -0.072 0.000 0.796 428 K CB 1.844 34.343 32.500 -0.002 0.000 1.161 428 K HN 0.679 nan 8.250 nan 0.000 0.425 429 I N 3.088 123.554 120.570 -0.174 0.000 2.439 429 I HA 0.472 4.642 4.170 0.000 0.000 0.285 429 I C 0.141 175.990 176.117 -0.446 0.000 1.021 429 I CA -0.287 60.880 61.300 -0.222 0.000 1.091 429 I CB 2.062 40.005 38.000 -0.096 0.000 1.242 429 I HN 0.713 nan 8.210 nan 0.000 0.439 430 G N 4.304 112.548 108.800 -0.927 0.000 3.015 430 G HA2 0.781 4.741 3.960 0.000 0.000 0.281 430 G HA3 0.781 4.741 3.960 0.000 0.000 0.281 430 G C -1.993 172.105 174.900 -1.337 0.000 1.386 430 G CA -0.625 43.713 45.100 -1.270 0.000 0.959 430 G HN 0.313 nan 8.290 nan 0.000 0.522 431 F N 0.683 119.893 119.950 -1.233 0.000 2.573 431 F HA 0.464 4.991 4.527 0.000 0.000 0.316 431 F C -1.437 174.136 175.800 -0.379 0.000 1.148 431 F CA -0.990 56.487 58.000 -0.872 0.000 0.940 431 F CB 2.301 40.634 39.000 -1.112 0.000 1.214 431 F HN 0.388 nan 8.300 nan 0.000 0.448 432 D N 3.401 123.379 120.400 -0.704 0.000 2.280 432 D HA 0.158 4.798 4.640 0.000 0.000 0.236 432 D C 0.707 176.646 176.300 -0.601 0.000 1.082 432 D CA 0.131 53.942 54.000 -0.314 0.000 0.834 432 D CB 2.072 42.767 40.800 -0.174 0.000 1.100 432 D HN 0.655 nan 8.370 nan 0.000 0.486 433 S N 1.789 117.506 115.700 0.027 0.000 2.461 433 S HA -0.156 4.314 4.470 0.000 0.000 0.228 433 S C 1.839 176.453 174.600 0.024 0.000 1.005 433 S CA 1.039 59.295 58.200 0.094 0.000 0.942 433 S CB -0.140 63.214 63.200 0.256 0.000 0.776 433 S HN 0.424 nan 8.310 nan 0.000 0.514 434 S N 0.484 116.231 115.700 0.077 0.000 2.436 434 S HA 0.061 4.531 4.470 0.000 0.000 0.228 434 S C 1.784 176.400 174.600 0.027 0.000 1.014 434 S CA 0.594 58.836 58.200 0.070 0.000 0.950 434 S CB -0.324 62.953 63.200 0.128 0.000 0.784 434 S HN 0.434 nan 8.310 nan 0.000 0.504 435 Q N 0.740 120.507 119.800 -0.056 0.000 2.247 435 Q HA 0.411 4.751 4.340 0.000 0.000 0.211 435 Q C 0.581 176.549 176.000 -0.053 0.000 0.861 435 Q CA 0.359 56.136 55.803 -0.042 0.000 0.949 435 Q CB 0.258 28.941 28.738 -0.092 0.000 1.115 435 Q HN 0.487 nan 8.270 nan 0.000 0.507 436 S N -0.350 115.201 115.700 -0.249 0.000 3.549 436 S HA -0.181 4.289 4.470 0.000 0.000 0.366 436 S C -0.714 173.577 174.600 -0.515 0.000 1.012 436 S CA 0.608 58.613 58.200 -0.326 0.000 1.141 436 S CB -1.212 62.014 63.200 0.044 0.000 0.910 436 S HN 0.336 nan 8.310 nan 0.000 0.471 437 S N 0.356 115.567 115.700 -0.816 0.000 2.536 437 S HA 0.750 5.220 4.470 0.000 0.000 0.287 437 S C -0.468 173.741 174.600 -0.652 0.000 1.101 437 S CA -0.657 57.258 58.200 -0.476 0.000 0.950 437 S CB 1.037 64.148 63.200 -0.148 0.000 1.056 437 S HN 0.351 nan 8.310 nan 0.000 0.481 438 F N 2.196 121.987 119.950 -0.266 0.000 2.370 438 F HA 0.636 5.163 4.527 0.000 0.000 0.319 438 F C 0.128 175.804 175.800 -0.206 0.000 1.129 438 F CA -0.273 57.526 58.000 -0.335 0.000 1.109 438 F CB 0.753 39.286 39.000 -0.778 0.000 1.262 438 F HN 0.653 nan 8.300 nan 0.000 0.534 439 Y N 0.030 120.343 120.300 0.021 0.000 2.592 439 Y HA 0.700 5.250 4.550 0.000 0.000 0.334 439 Y C -1.772 174.150 175.900 0.036 0.000 1.136 439 Y CA -1.758 56.339 58.100 -0.006 0.000 1.042 439 Y CB 0.878 39.288 38.460 -0.083 0.000 1.325 439 Y HN 0.586 nan 8.280 nan 0.000 0.457 440 I N 1.834 122.542 120.570 0.229 0.000 2.740 440 I HA 0.507 4.677 4.170 0.000 0.000 0.303 440 I C -1.581 174.634 176.117 0.163 0.000 1.044 440 I CA -0.710 60.679 61.300 0.148 0.000 1.064 440 I CB 2.048 40.108 38.000 0.099 0.000 1.249 440 I HN 0.873 nan 8.210 nan 0.000 0.433 441 D N 5.504 125.976 120.400 0.121 0.000 2.358 441 D HA 0.239 4.879 4.640 0.000 0.000 0.253 441 D C 0.140 176.505 176.300 0.108 0.000 1.288 441 D CA -0.518 53.547 54.000 0.109 0.000 0.950 441 D CB 0.931 41.790 40.800 0.098 0.000 1.197 441 D HN 0.612 nan 8.370 nan 0.000 0.550 442 R N 2.099 122.678 120.500 0.132 0.000 2.320 442 R HA 0.129 4.469 4.340 0.000 0.000 0.211 442 R C 0.382 176.834 176.300 0.252 0.000 0.931 442 R CA -0.445 55.759 56.100 0.174 0.000 1.071 442 R CB -0.464 29.953 30.300 0.194 0.000 1.025 442 R HN 0.260 nan 8.270 nan 0.000 0.495 443 H N 1.170 120.328 119.070 0.146 0.000 2.964 443 H HA 0.205 4.761 4.556 0.000 0.000 0.328 443 H C -0.688 174.715 175.328 0.124 0.000 1.030 443 H CA 0.542 56.674 56.048 0.140 0.000 1.445 443 H CB 0.384 30.193 29.762 0.078 0.000 1.449 443 H HN 0.160 nan 8.280 nan 0.000 0.581 444 I N 7.757 128.091 120.570 -0.394 0.000 2.499 444 I HA 0.269 4.439 4.170 0.000 0.000 0.288 444 I C -2.168 173.728 176.117 -0.369 0.000 1.048 444 I CA -2.245 58.938 61.300 -0.196 0.000 1.062 444 I CB 2.160 40.168 38.000 0.014 0.000 1.238 444 I HN 0.625 nan 8.210 nan 0.000 0.426 445 P HA 0.200 nan 4.420 nan 0.000 0.269 445 P C -0.135 177.139 177.300 -0.042 0.000 1.215 445 P CA 0.075 63.159 63.100 -0.027 0.000 0.780 445 P CB 0.336 32.070 31.700 0.057 0.000 0.898 446 N N -2.266 116.418 118.700 -0.027 0.000 2.857 446 N HA -0.137 4.603 4.740 0.000 0.000 0.242 446 N C -0.639 174.855 175.510 -0.027 0.000 0.983 446 N CA 0.775 53.812 53.050 -0.022 0.000 0.934 446 N CB -1.645 36.837 38.487 -0.009 0.000 1.115 446 N HN 0.180 nan 8.380 nan 0.000 0.593 447 V N 1.580 121.467 119.914 -0.045 0.000 2.348 447 V HA 0.274 4.395 4.120 0.000 0.000 0.270 447 V C 0.343 176.392 176.094 -0.074 0.000 1.037 447 V CA -0.115 62.178 62.300 -0.012 0.000 0.872 447 V CB 1.924 33.775 31.823 0.046 0.000 1.002 447 V HN -0.002 nan 8.190 nan 0.000 0.464 448 E N 4.770 124.937 120.200 -0.054 0.000 2.238 448 E HA 0.708 5.058 4.350 0.000 0.000 0.267 448 E C -0.962 175.613 176.600 -0.042 0.000 0.887 448 E CA -0.373 55.932 56.400 -0.157 0.000 0.769 448 E CB 2.745 32.375 29.700 -0.118 0.000 1.187 448 E HN 0.546 nan 8.360 nan 0.000 0.416 449 F N -0.970 118.882 119.950 -0.164 0.000 2.654 449 F HA 0.577 5.105 4.527 0.000 0.000 0.308 449 F C -2.795 172.947 175.800 -0.096 0.000 1.108 449 F CA -2.734 55.173 58.000 -0.155 0.000 0.957 449 F CB 0.482 39.333 39.000 -0.248 0.000 1.309 449 F HN 0.064 nan 8.300 nan 0.000 0.446 450 P HA 0.168 nan 4.420 nan 0.000 0.261 450 P C -0.318 177.093 177.300 0.185 0.000 1.173 450 P CA 0.619 63.789 63.100 0.117 0.000 0.760 450 P CB 0.360 32.141 31.700 0.135 0.000 0.783 451 R N -0.645 119.935 120.500 0.133 0.000 3.963 451 R HA -0.173 4.167 4.340 0.000 0.000 0.394 451 R C 0.081 176.516 176.300 0.224 0.000 1.131 451 R CA 0.684 56.951 56.100 0.278 0.000 1.059 451 R CB -1.686 28.900 30.300 0.477 0.000 1.614 451 R HN 0.550 nan 8.270 nan 0.000 0.546 452 K N 1.094 121.404 120.400 -0.149 0.000 2.494 452 K HA -0.075 4.245 4.320 0.000 0.000 0.273 452 K C 0.935 177.431 176.600 -0.174 0.000 0.970 452 K CA 1.123 57.255 56.287 -0.259 0.000 0.963 452 K CB 0.191 32.341 32.500 -0.583 0.000 0.913 452 K HN 0.239 nan 8.250 nan 0.000 0.502 453 Q N -0.797 118.911 119.800 -0.154 0.000 7.863 453 Q HA -0.173 4.167 4.340 0.000 0.000 0.365 453 Q C 0.825 176.621 176.000 -0.340 0.000 0.969 453 Q CA 1.063 56.660 55.803 -0.343 0.000 0.544 453 Q CB -1.023 27.318 28.738 -0.662 0.000 0.177 453 Q HN 0.632 nan 8.270 nan 0.000 0.902 454 F N -0.700 119.366 119.950 0.194 0.000 2.717 454 F HA 0.306 4.833 4.527 0.000 0.000 0.295 454 F C 0.572 176.594 175.800 0.370 0.000 1.117 454 F CA -0.218 57.948 58.000 0.277 0.000 1.361 454 F CB 0.580 39.783 39.000 0.338 0.000 1.112 454 F HN -0.021 nan 8.300 nan 0.000 0.594 455 F N 1.497 121.576 119.950 0.215 0.000 2.439 455 F HA 0.151 4.678 4.527 0.000 0.000 0.356 455 F C 1.377 177.208 175.800 0.052 0.000 1.161 455 F CA 0.011 57.997 58.000 -0.023 0.000 1.151 455 F CB 0.541 39.391 39.000 -0.250 0.000 1.222 455 F HN -0.177 nan 8.300 nan 0.000 0.558 456 T N 3.580 118.071 114.554 -0.105 0.000 2.904 456 T HA -0.097 4.253 4.350 0.000 0.000 0.267 456 T C 0.917 175.631 174.700 0.023 0.000 1.059 456 T CA 1.448 63.551 62.100 0.004 0.000 1.137 456 T CB -0.123 68.758 68.868 0.021 0.000 0.879 456 T HN 0.786 nan 8.240 nan 0.000 0.467 457 D N -0.123 120.271 120.400 -0.010 0.000 3.507 457 D HA -0.118 4.522 4.640 0.000 0.000 0.208 457 D C 0.215 176.552 176.300 0.063 0.000 1.223 457 D CA 1.535 55.590 54.000 0.091 0.000 2.248 457 D CB -0.744 40.162 40.800 0.177 0.000 1.247 457 D HN 0.386 nan 8.370 nan 0.000 0.475 458 K N 0.621 121.045 120.400 0.040 0.000 2.307 458 K HA 0.703 5.023 4.320 0.000 0.000 0.263 458 K C -0.504 176.116 176.600 0.033 0.000 0.973 458 K CA -0.280 56.028 56.287 0.035 0.000 0.846 458 K CB 2.039 34.537 32.500 -0.002 0.000 1.100 458 K HN 0.102 nan 8.250 nan 0.000 0.438 459 L N 2.523 123.784 121.223 0.064 0.000 2.436 459 L HA 0.577 4.917 4.340 0.000 0.000 0.268 459 L C -0.047 176.880 176.870 0.094 0.000 0.974 459 L CA -0.578 54.301 54.840 0.065 0.000 0.826 459 L CB 1.829 43.922 42.059 0.058 0.000 1.291 459 L HN 0.968 nan 8.230 nan 0.000 0.406 460 A N 3.424 126.286 122.820 0.071 0.000 6.484 460 A HA 0.182 4.502 4.320 0.000 0.000 0.261 460 A C 0.577 178.208 177.584 0.078 0.000 2.084 460 A CA 0.650 52.736 52.037 0.081 0.000 0.721 460 A CB -1.441 17.613 19.000 0.091 0.000 1.059 460 A HN 2.587 nan 8.150 nan 0.000 0.382 461 A N -3.194 119.678 122.820 0.087 0.000 2.605 461 A HA 0.244 4.564 4.320 0.000 0.000 0.271 461 A C -0.273 177.346 177.584 0.059 0.000 1.365 461 A CA 1.141 53.197 52.037 0.030 0.000 0.719 461 A CB -1.937 16.913 19.000 -0.249 0.000 1.130 461 A HN 2.533 nan 8.150 nan 0.000 0.361 462 Y N 1.140 121.469 120.300 0.049 0.000 2.310 462 Y HA 0.654 5.204 4.550 0.000 0.000 0.326 462 Y C 0.817 176.816 175.900 0.165 0.000 1.151 462 Y CA 0.178 58.322 58.100 0.073 0.000 1.195 462 Y CB 0.830 39.329 38.460 0.066 0.000 1.210 462 Y HN 0.451 nan 8.280 nan 0.000 0.483 463 L N 1.879 122.688 121.223 -0.689 0.000 2.678 463 L HA 0.256 4.596 4.340 0.000 0.000 0.211 463 L C -0.620 176.200 176.870 -0.083 0.000 1.043 463 L CA 0.252 55.005 54.840 -0.144 0.000 0.881 463 L CB 0.164 42.384 42.059 0.269 0.000 1.361 463 L HN 0.616 nan 8.230 nan 0.000 0.484 464 E N -0.366 119.751 120.200 -0.137 0.000 7.835 464 E HA -0.097 4.253 4.350 0.000 0.000 0.463 464 E C -2.512 174.017 176.600 -0.118 0.000 0.612 464 E CA -0.056 56.366 56.400 0.037 0.000 1.100 464 E CB -0.992 28.785 29.700 0.128 0.000 0.976 464 E HN -0.049 nan 8.360 nan 0.000 0.262 465 P HA 0.015 nan 4.420 nan 0.000 0.266 465 P C 1.101 178.017 177.300 -0.641 0.000 1.195 465 P CA -0.269 62.123 63.100 -1.180 0.000 0.768 465 P CB 0.397 31.302 31.700 -1.324 0.000 0.838 466 L N 1.816 122.666 121.223 -0.622 0.000 2.131 466 L HA 0.047 4.387 4.340 0.000 0.000 0.210 466 L C 0.343 177.070 176.870 -0.238 0.000 1.092 466 L CA 2.151 56.822 54.840 -0.281 0.000 0.759 466 L CB -0.396 41.535 42.059 -0.213 0.000 0.903 466 L HN 0.353 nan 8.230 nan 0.000 0.435 467 D N -3.783 116.386 120.400 -0.386 0.000 2.694 467 D HA 0.234 4.874 4.640 0.000 0.000 0.260 467 D C -1.784 174.268 176.300 -0.414 0.000 1.250 467 D CA -0.396 53.459 54.000 -0.241 0.000 0.763 467 D CB 0.683 41.406 40.800 -0.129 0.000 1.311 467 D HN -0.132 nan 8.370 nan 0.000 0.420 468 Y N 0.551 120.775 120.300 -0.127 0.000 2.364 468 Y HA 0.474 5.024 4.550 0.000 0.000 0.340 468 Y C -0.295 175.563 175.900 -0.071 0.000 0.975 468 Y CA -0.666 57.370 58.100 -0.105 0.000 1.089 468 Y CB 1.875 40.283 38.460 -0.087 0.000 1.192 468 Y HN 0.064 nan 8.280 nan 0.000 0.454 469 D N 2.596 123.034 120.400 0.062 0.000 2.438 469 D HA 0.308 4.948 4.640 0.000 0.000 0.257 469 D C -0.932 175.394 176.300 0.044 0.000 1.148 469 D CA -0.261 53.763 54.000 0.040 0.000 0.902 469 D CB 0.704 41.507 40.800 0.004 0.000 1.062 469 D HN 0.489 nan 8.370 nan 0.000 0.518 470 Q N 2.513 122.344 119.800 0.051 0.000 2.408 470 Q HA -0.147 4.193 4.340 0.000 0.000 0.284 470 Q C -1.102 174.928 176.000 0.050 0.000 1.345 470 Q CA 0.321 56.145 55.803 0.036 0.000 0.713 470 Q CB -1.283 27.469 28.738 0.023 0.000 1.122 470 Q HN 0.664 nan 8.270 nan 0.000 0.394 471 D N -0.946 119.497 120.400 0.071 0.000 2.735 471 D HA -0.237 4.403 4.640 0.000 0.000 0.235 471 D C 0.280 176.663 176.300 0.139 0.000 1.175 471 D CA 1.202 55.254 54.000 0.086 0.000 0.683 471 D CB -0.468 40.341 40.800 0.015 0.000 1.008 471 D HN 0.367 nan 8.370 nan 0.000 0.416 472 L N -0.462 120.876 121.223 0.191 0.000 2.885 472 L HA 0.201 4.541 4.340 0.000 0.000 0.251 472 L C 0.085 176.992 176.870 0.062 0.000 1.071 472 L CA 0.919 55.821 54.840 0.102 0.000 0.956 472 L CB 0.464 42.554 42.059 0.052 0.000 1.483 472 L HN 0.231 nan 8.230 nan 0.000 0.525 473 R N -0.035 120.423 120.500 -0.070 0.000 1.372 473 R HA -0.015 4.325 4.340 0.000 0.000 0.416 473 R C -1.246 174.852 176.300 -0.337 0.000 1.264 473 R CA 0.140 56.019 56.100 -0.367 0.000 0.821 473 R CB -2.060 28.194 30.300 -0.077 0.000 2.770 473 R HN -0.031 nan 8.270 nan 0.000 0.503 474 V N 5.197 124.747 119.914 -0.606 0.000 2.495 474 V HA 0.717 4.837 4.120 0.000 0.000 0.298 474 V C -0.055 175.546 176.094 -0.821 0.000 1.031 474 V CA -0.458 61.540 62.300 -0.504 0.000 0.871 474 V CB 1.544 33.175 31.823 -0.321 0.000 0.988 474 V HN 0.442 nan 8.190 nan 0.000 0.432 475 F N 1.739 121.216 119.950 -0.788 0.000 2.579 475 F HA 0.783 5.310 4.527 0.000 0.000 0.324 475 F C 0.391 175.875 175.800 -0.527 0.000 1.058 475 F CA -0.566 57.003 58.000 -0.718 0.000 0.944 475 F CB 2.359 40.738 39.000 -1.035 0.000 1.245 475 F HN 0.501 nan 8.300 nan 0.000 0.477 476 S N 1.955 117.700 115.700 0.074 0.000 2.548 476 S HA 0.841 5.311 4.470 0.000 0.000 0.286 476 S C -1.643 173.105 174.600 0.247 0.000 1.098 476 S CA -0.729 57.567 58.200 0.161 0.000 0.930 476 S CB 1.901 65.146 63.200 0.075 0.000 1.070 476 S HN 0.794 nan 8.310 nan 0.000 0.480 477 L N 2.690 124.074 121.223 0.268 0.000 2.436 477 L HA 0.612 4.952 4.340 0.000 0.000 0.268 477 L C -2.160 174.812 176.870 0.171 0.000 0.974 477 L CA -0.833 54.109 54.840 0.171 0.000 0.826 477 L CB 2.038 44.270 42.059 0.289 0.000 1.291 477 L HN 0.979 nan 8.230 nan 0.000 0.406 478 Y N 3.632 123.878 120.300 -0.089 0.000 2.338 478 Y HA 0.736 5.286 4.550 0.000 0.000 0.333 478 Y C -0.209 175.508 175.900 -0.305 0.000 0.968 478 Y CA -0.565 57.431 58.100 -0.174 0.000 1.123 478 Y CB 2.030 40.389 38.460 -0.169 0.000 1.165 478 Y HN 0.518 nan 8.280 nan 0.000 0.452 479 G N 5.879 113.868 108.800 -1.351 0.000 2.524 479 G HA2 0.601 4.561 3.960 0.000 0.000 0.310 479 G HA3 0.601 4.561 3.960 0.000 0.000 0.310 479 G C -2.136 171.869 174.900 -1.491 0.000 1.279 479 G CA -0.860 43.394 45.100 -1.409 0.000 0.974 479 G HN 0.775 nan 8.290 nan 0.000 0.484 480 I N 1.766 121.935 120.570 -0.669 0.000 2.478 480 I HA 0.517 4.687 4.170 0.000 0.000 0.287 480 I C -1.024 175.083 176.117 -0.017 0.000 1.042 480 I CA -0.876 60.242 61.300 -0.303 0.000 1.067 480 I CB 1.968 39.905 38.000 -0.105 0.000 1.233 480 I HN 0.256 nan 8.210 nan 0.000 0.431 481 V N 7.405 127.388 119.914 0.115 0.000 2.370 481 V HA 0.319 4.439 4.120 0.000 0.000 0.279 481 V C 0.253 176.495 176.094 0.246 0.000 1.029 481 V CA -0.388 62.045 62.300 0.222 0.000 0.870 481 V CB 1.113 33.107 31.823 0.284 0.000 0.984 481 V HN 0.745 nan 8.190 nan 0.000 0.451 482 D N 3.163 123.689 120.400 0.210 0.000 2.230 482 D HA 0.175 4.816 4.640 0.000 0.000 0.274 482 D C 1.304 177.703 176.300 0.165 0.000 1.222 482 D CA 0.651 54.738 54.000 0.146 0.000 0.943 482 D CB 0.696 41.525 40.800 0.049 0.000 0.920 482 D HN 0.503 nan 8.370 nan 0.000 0.300 483 K N -1.174 119.258 120.400 0.055 0.000 2.548 483 K HA 0.188 4.508 4.320 0.000 0.000 0.209 483 K C 0.990 177.444 176.600 -0.243 0.000 1.420 483 K CA 0.058 56.377 56.287 0.053 0.000 0.985 483 K CB 0.720 33.212 32.500 -0.013 0.000 1.249 483 K HN 0.288 nan 8.250 nan 0.000 0.557 484 N N 0.033 118.455 118.700 -0.463 0.000 2.118 484 N HA 0.153 4.893 4.740 0.000 0.000 0.226 484 N C -0.332 174.657 175.510 -0.868 0.000 1.305 484 N CA -0.154 52.255 53.050 -1.068 0.000 0.890 484 N CB 1.231 39.298 38.487 -0.701 0.000 1.118 484 N HN -0.039 nan 8.380 nan 0.000 0.511 485 I N 1.165 121.586 120.570 -0.248 0.000 2.569 485 I HA 0.471 4.641 4.170 0.000 0.000 0.290 485 I C -1.713 174.500 176.117 0.159 0.000 1.088 485 I CA -1.057 60.205 61.300 -0.064 0.000 1.047 485 I CB 2.503 40.311 38.000 -0.319 0.000 1.237 485 I HN 0.018 nan 8.210 nan 0.000 0.421 486 I N 7.292 127.967 120.570 0.175 0.000 2.436 486 I HA 0.467 4.637 4.170 0.000 0.000 0.289 486 I C -1.155 174.965 176.117 0.005 0.000 1.010 486 I CA -0.300 61.054 61.300 0.090 0.000 1.098 486 I CB 1.527 39.545 38.000 0.029 0.000 1.266 486 I HN 0.674 nan 8.210 nan 0.000 0.434 487 E N 8.148 128.334 120.200 -0.024 0.000 2.145 487 E HA 0.475 4.825 4.350 0.000 0.000 0.270 487 E C -1.302 175.111 176.600 -0.312 0.000 0.906 487 E CA -0.676 55.640 56.400 -0.140 0.000 0.761 487 E CB 2.498 32.224 29.700 0.042 0.000 1.116 487 E HN 0.548 nan 8.360 nan 0.000 0.408 488 L N 3.455 124.341 121.223 -0.560 0.000 2.329 488 L HA 0.468 4.808 4.340 0.000 0.000 0.279 488 L C -1.097 175.084 176.870 -1.149 0.000 1.014 488 L CA -0.984 53.419 54.840 -0.729 0.000 0.814 488 L CB 0.781 42.422 42.059 -0.697 0.000 1.257 488 L HN 0.528 nan 8.230 nan 0.000 0.424 489 Y N 2.433 122.293 120.300 -0.734 0.000 2.363 489 Y HA 0.446 4.996 4.550 0.000 0.000 0.325 489 Y C -0.396 175.175 175.900 -0.549 0.000 0.984 489 Y CA -0.664 57.096 58.100 -0.566 0.000 1.248 489 Y CB 0.930 39.248 38.460 -0.237 0.000 1.116 489 Y HN 0.284 nan 8.280 nan 0.000 0.470 490 F N 2.570 122.469 119.950 -0.084 0.000 2.379 490 F HA 0.338 4.865 4.527 0.000 0.000 0.332 490 F C 0.791 176.589 175.800 -0.004 0.000 1.096 490 F CA -0.608 57.279 58.000 -0.189 0.000 1.105 490 F CB 0.573 39.427 39.000 -0.243 0.000 1.189 490 F HN 0.565 nan 8.300 nan 0.000 0.515 491 N N 0.484 119.325 118.700 0.236 0.000 1.189 491 N HA -0.273 4.467 4.740 0.000 0.000 0.105 491 N C -0.555 174.999 175.510 0.074 0.000 0.794 491 N CA 1.324 54.465 53.050 0.152 0.000 0.837 491 N CB -0.684 37.894 38.487 0.152 0.000 0.971 491 N HN 0.592 nan 8.380 nan 0.000 0.657 492 D N 1.410 121.832 120.400 0.037 0.000 3.168 492 D HA 0.429 5.069 4.640 0.000 0.000 0.255 492 D C 0.971 177.256 176.300 -0.024 0.000 1.314 492 D CA 0.967 54.959 54.000 -0.014 0.000 0.900 492 D CB -0.823 39.955 40.800 -0.037 0.000 1.072 492 D HN 0.792 nan 8.370 nan 0.000 0.487 493 G N 0.421 109.231 108.800 0.017 0.000 2.132 493 G HA2 -0.332 3.628 3.960 0.000 0.000 0.228 493 G HA3 -0.332 3.628 3.960 0.000 0.000 0.228 493 G C 1.303 176.226 174.900 0.037 0.000 1.000 493 G CA 0.429 45.548 45.100 0.032 0.000 0.693 493 G HN 0.359 nan 8.290 nan 0.000 0.515 494 T N -1.182 113.420 114.554 0.080 0.000 2.746 494 T HA 0.197 4.547 4.350 0.000 0.000 0.267 494 T C 1.237 176.017 174.700 0.132 0.000 1.039 494 T CA 1.791 63.956 62.100 0.108 0.000 1.142 494 T CB 0.169 69.125 68.868 0.147 0.000 0.866 494 T HN 1.544 nan 8.240 nan 0.000 0.444 495 V N -0.387 119.627 119.914 0.166 0.000 2.808 495 V HA 0.844 4.964 4.120 0.000 0.000 0.308 495 V C -1.536 174.568 176.094 0.016 0.000 1.099 495 V CA -1.157 61.241 62.300 0.163 0.000 0.920 495 V CB 1.669 33.664 31.823 0.286 0.000 1.014 495 V HN 0.296 nan 8.190 nan 0.000 0.425 496 A N 7.010 129.744 122.820 -0.143 0.000 2.325 496 A HA 0.932 5.252 4.320 0.000 0.000 0.333 496 A C -0.438 176.941 177.584 -0.342 0.000 1.155 496 A CA -0.785 50.978 52.037 -0.456 0.000 0.814 496 A CB 1.659 20.305 19.000 -0.591 0.000 1.206 496 A HN 1.185 nan 8.150 nan 0.000 0.482 497 M N 2.546 121.871 119.600 -0.459 0.000 2.060 497 M HA 0.252 4.732 4.480 0.000 0.000 0.275 497 M C -1.180 174.981 176.300 -0.231 0.000 0.919 497 M CA -0.028 55.147 55.300 -0.207 0.000 0.970 497 M CB 1.432 34.054 32.600 0.036 0.000 1.670 497 M HN 0.723 nan 8.290 nan 0.000 0.440 498 T N 3.801 118.260 114.554 -0.159 0.000 2.767 498 T HA 0.533 4.883 4.350 0.000 0.000 0.284 498 T C -0.473 174.227 174.700 0.000 0.000 0.973 498 T CA -0.574 61.491 62.100 -0.059 0.000 0.996 498 T CB 0.589 69.502 68.868 0.076 0.000 0.927 498 T HN 0.535 nan 8.240 nan 0.000 0.456 499 N N 1.957 120.662 118.700 0.007 0.000 2.369 499 N HA 0.307 5.047 4.740 0.000 0.000 0.287 499 N C -0.497 175.044 175.510 0.051 0.000 1.067 499 N CA -0.548 52.514 53.050 0.020 0.000 0.888 499 N CB 2.321 40.815 38.487 0.011 0.000 1.616 499 N HN 0.680 nan 8.380 nan 0.000 0.482 500 T N -0.601 113.972 114.554 0.032 0.000 2.910 500 T HA 0.688 5.038 4.350 0.000 0.000 0.293 500 T C -0.013 174.695 174.700 0.013 0.000 1.015 500 T CA -0.405 61.649 62.100 -0.077 0.000 1.094 500 T CB 0.168 68.972 68.868 -0.107 0.000 0.968 500 T HN 0.390 nan 8.240 nan 0.000 0.521 501 F N -0.538 119.158 119.950 -0.422 0.000 2.599 501 F HA 0.775 5.302 4.527 0.000 0.000 0.311 501 F C -0.787 174.652 175.800 -0.602 0.000 1.076 501 F CA -1.740 56.135 58.000 -0.209 0.000 0.937 501 F CB 0.984 39.951 39.000 -0.055 0.000 1.282 501 F HN 0.417 nan 8.300 nan 0.000 0.460 502 F N 0.516 120.541 119.950 0.125 0.000 2.536 502 F HA 0.511 5.038 4.527 0.000 0.000 0.278 502 F C 0.332 176.160 175.800 0.047 0.000 0.945 502 F CA 0.173 58.132 58.000 -0.068 0.000 1.244 502 F CB 0.062 38.959 39.000 -0.172 0.000 1.118 502 F HN 0.510 nan 8.300 nan 0.000 0.725 503 M N 0.063 119.838 119.600 0.291 0.000 4.056 503 M HA -0.102 4.378 4.480 0.000 0.000 0.157 503 M C 0.169 176.590 176.300 0.203 0.000 1.531 503 M CA 0.421 55.869 55.300 0.246 0.000 1.097 503 M CB -0.815 31.973 32.600 0.314 0.000 1.345 503 M HN 0.362 nan 8.290 nan 0.000 0.190 504 G N 2.423 111.286 108.800 0.105 0.000 2.554 504 G HA2 0.270 4.230 3.960 0.000 0.000 0.238 504 G HA3 0.270 4.230 3.960 0.000 0.000 0.238 504 G C -0.157 174.695 174.900 -0.080 0.000 1.259 504 G CA -0.277 44.842 45.100 0.032 0.000 0.843 504 G HN 0.819 nan 8.290 nan 0.000 0.582 505 E N 0.140 120.273 120.200 -0.111 0.000 3.250 505 E HA 0.127 4.477 4.350 0.000 0.000 0.244 505 E C 1.530 177.748 176.600 -0.637 0.000 0.931 505 E CA 1.603 57.800 56.400 -0.339 0.000 0.954 505 E CB -0.320 29.309 29.700 -0.118 0.000 0.894 505 E HN 1.084 nan 8.360 nan 0.000 0.560 506 G N 3.674 111.553 108.800 -1.535 0.000 2.241 506 G HA2 -0.316 3.644 3.960 0.000 0.000 0.244 506 G HA3 -0.316 3.644 3.960 0.000 0.000 0.244 506 G C 0.052 174.736 174.900 -0.359 0.000 0.998 506 G CA 0.235 44.834 45.100 -0.835 0.000 0.621 506 G HN 0.491 nan 8.290 nan 0.000 0.519 507 K N 0.462 120.697 120.400 -0.275 0.000 2.205 507 K HA 0.626 4.946 4.320 0.000 0.000 0.279 507 K C -0.273 176.509 176.600 0.303 0.000 1.027 507 K CA -0.495 55.785 56.287 -0.011 0.000 0.932 507 K CB 0.818 33.311 32.500 -0.013 0.000 1.032 507 K HN 0.576 nan 8.250 nan 0.000 0.466 508 Y N -0.424 120.050 120.300 0.291 0.000 2.588 508 Y HA 0.476 5.026 4.550 0.000 0.000 0.343 508 Y C -3.010 173.150 175.900 0.432 0.000 1.065 508 Y CA -3.725 54.598 58.100 0.372 0.000 1.038 508 Y CB 0.478 39.148 38.460 0.350 0.000 1.297 508 Y HN 0.404 nan 8.280 nan 0.000 0.467 509 P HA 0.044 nan 4.420 nan 0.000 0.261 509 P C -0.149 177.488 177.300 0.561 0.000 1.183 509 P CA 0.823 64.204 63.100 0.469 0.000 0.761 509 P CB 0.258 32.271 31.700 0.522 0.000 0.785 510 H N 1.178 120.341 119.070 0.155 0.000 2.800 510 H HA 0.100 4.656 4.556 0.000 0.000 0.257 510 H C 0.011 175.355 175.328 0.027 0.000 0.967 510 H CA 0.343 56.497 56.048 0.176 0.000 1.192 510 H CB 1.108 30.875 29.762 0.007 0.000 1.441 510 H HN 0.548 nan 8.280 nan 0.000 0.461 511 D N -0.388 119.924 120.400 -0.147 0.000 2.622 511 D HA 0.372 5.012 4.640 0.000 0.000 0.255 511 D C -1.123 174.924 176.300 -0.422 0.000 1.246 511 D CA -0.640 53.152 54.000 -0.346 0.000 0.795 511 D CB 1.563 42.248 40.800 -0.192 0.000 1.369 511 D HN -0.061 nan 8.370 nan 0.000 0.425 512 I N 0.338 120.642 120.570 -0.443 0.000 2.498 512 I HA 0.305 4.475 4.170 0.000 0.000 0.290 512 I C -0.735 175.207 176.117 -0.292 0.000 1.032 512 I CA -0.647 60.423 61.300 -0.383 0.000 1.073 512 I CB 1.893 39.645 38.000 -0.414 0.000 1.251 512 I HN 0.267 nan 8.210 nan 0.000 0.426 513 Q N 6.143 125.795 119.800 -0.247 0.000 2.348 513 Q HA 0.695 5.035 4.340 0.000 0.000 0.271 513 Q C -1.125 174.771 176.000 -0.173 0.000 1.067 513 Q CA -0.876 54.816 55.803 -0.184 0.000 0.839 513 Q CB 3.242 31.895 28.738 -0.142 0.000 1.354 513 Q HN 0.515 nan 8.270 nan 0.000 0.447 514 I N 2.193 122.691 120.570 -0.121 0.000 2.410 514 I HA 0.416 4.586 4.170 0.000 0.000 0.286 514 I C -0.301 175.797 176.117 -0.032 0.000 1.009 514 I CA -0.940 60.318 61.300 -0.070 0.000 1.111 514 I CB 1.457 39.421 38.000 -0.060 0.000 1.262 514 I HN 0.372 nan 8.210 nan 0.000 0.443 515 V N 1.991 121.906 119.914 0.002 0.000 3.126 515 V HA 0.880 5.000 4.120 0.000 0.000 0.314 515 V C -0.367 175.769 176.094 0.070 0.000 1.138 515 V CA -0.319 61.989 62.300 0.013 0.000 1.034 515 V CB 2.181 33.996 31.823 -0.014 0.000 1.075 515 V HN 0.706 nan 8.190 nan 0.000 0.442 516 T N 0.260 114.858 114.554 0.073 0.000 2.853 516 T HA 0.448 4.798 4.350 0.000 0.000 0.311 516 T C -0.661 174.094 174.700 0.091 0.000 1.307 516 T CA -0.375 61.800 62.100 0.125 0.000 1.019 516 T CB 1.919 70.899 68.868 0.187 0.000 1.264 516 T HN 0.748 nan 8.240 nan 0.000 0.497 517 D N 1.438 121.902 120.400 0.107 0.000 2.360 517 D HA 0.100 4.740 4.640 0.000 0.000 0.210 517 D C 1.177 177.529 176.300 0.086 0.000 1.047 517 D CA 0.402 54.447 54.000 0.075 0.000 0.854 517 D CB 0.238 41.070 40.800 0.054 0.000 0.936 517 D HN 0.707 nan 8.370 nan 0.000 0.514 518 T N -0.786 113.842 114.554 0.123 0.000 2.901 518 T HA 0.114 4.464 4.350 0.000 0.000 0.301 518 T C 1.231 175.970 174.700 0.065 0.000 1.012 518 T CA -0.395 61.767 62.100 0.103 0.000 1.135 518 T CB 1.916 70.857 68.868 0.123 0.000 0.936 518 T HN -0.144 nan 8.240 nan 0.000 0.539 519 E N 1.824 122.051 120.200 0.044 0.000 2.028 519 E HA -0.021 4.329 4.350 0.000 0.000 0.190 519 E C 0.690 177.303 176.600 0.023 0.000 0.984 519 E CA 1.022 57.438 56.400 0.028 0.000 0.800 519 E CB 0.138 29.850 29.700 0.020 0.000 0.758 519 E HN 0.718 nan 8.360 nan 0.000 0.448 520 E N 0.924 121.134 120.200 0.017 0.000 2.280 520 E HA 0.281 4.631 4.350 0.000 0.000 0.264 520 E C -2.355 174.250 176.600 0.008 0.000 1.064 520 E CA -2.487 53.918 56.400 0.008 0.000 0.900 520 E CB 0.473 30.172 29.700 -0.002 0.000 1.123 520 E HN -0.065 nan 8.360 nan 0.000 0.418 521 P HA 0.072 nan 4.420 nan 0.000 0.276 521 P C 0.279 177.552 177.300 -0.046 0.000 1.264 521 P CA -0.104 62.997 63.100 0.001 0.000 0.769 521 P CB 0.481 32.182 31.700 0.003 0.000 0.840 522 L N 4.004 125.176 121.223 -0.085 0.000 2.253 522 L HA 0.379 4.719 4.340 0.000 0.000 0.205 522 L C -0.003 176.591 176.870 -0.460 0.000 1.078 522 L CA 1.170 55.823 54.840 -0.310 0.000 0.805 522 L CB -0.258 41.526 42.059 -0.457 0.000 0.963 522 L HN 0.059 nan 8.230 nan 0.000 0.459 523 F N 0.525 120.474 119.950 -0.001 0.000 2.436 523 F HA 0.429 4.956 4.527 0.000 0.000 0.340 523 F C 0.214 175.972 175.800 -0.070 0.000 1.113 523 F CA -0.642 57.337 58.000 -0.036 0.000 1.022 523 F CB 1.153 40.017 39.000 -0.225 0.000 1.128 523 F HN -0.085 nan 8.300 nan 0.000 0.466 524 E N 4.724 125.010 120.200 0.145 0.000 2.092 524 E HA 0.390 4.740 4.350 0.000 0.000 0.271 524 E C -1.281 175.376 176.600 0.096 0.000 0.919 524 E CA -0.579 55.869 56.400 0.079 0.000 0.760 524 E CB 0.765 30.500 29.700 0.058 0.000 1.106 524 E HN 0.640 nan 8.360 nan 0.000 0.408 525 L N 5.312 126.548 121.223 0.022 0.000 2.363 525 L HA 0.175 4.515 4.340 0.000 0.000 0.286 525 L C 1.235 178.136 176.870 0.052 0.000 1.106 525 L CA -0.158 54.700 54.840 0.031 0.000 0.859 525 L CB 0.351 42.372 42.059 -0.063 0.000 1.223 525 L HN 0.720 nan 8.230 nan 0.000 0.446 526 E N 1.209 121.455 120.200 0.077 0.000 2.085 526 E HA -0.149 4.201 4.350 0.000 0.000 0.194 526 E C 0.695 177.325 176.600 0.049 0.000 0.994 526 E CA 1.177 57.608 56.400 0.052 0.000 0.801 526 E CB 0.235 29.961 29.700 0.043 0.000 0.743 526 E HN 0.552 nan 8.360 nan 0.000 0.453 527 S N -0.248 115.492 115.700 0.066 0.000 2.571 527 S HA 0.433 4.903 4.470 0.000 0.000 0.284 527 S C -1.192 173.459 174.600 0.085 0.000 1.128 527 S CA -0.875 57.364 58.200 0.066 0.000 0.970 527 S CB 1.713 64.950 63.200 0.062 0.000 1.039 527 S HN -0.080 nan 8.310 nan 0.000 0.485 528 V N 5.730 125.689 119.914 0.076 0.000 2.525 528 V HA 0.595 4.715 4.120 0.000 0.000 0.299 528 V C -0.830 175.327 176.094 0.105 0.000 1.034 528 V CA -0.539 61.816 62.300 0.092 0.000 0.863 528 V CB 1.412 33.269 31.823 0.057 0.000 0.999 528 V HN 0.882 nan 8.190 nan 0.000 0.423 529 I N 5.933 126.586 120.570 0.139 0.000 2.468 529 I HA 0.525 4.695 4.170 0.000 0.000 0.284 529 I C -0.811 175.425 176.117 0.199 0.000 1.038 529 I CA -0.248 61.142 61.300 0.150 0.000 1.083 529 I CB 1.875 39.954 38.000 0.132 0.000 1.223 529 I HN 0.429 nan 8.210 nan 0.000 0.443 530 I N 6.233 126.935 120.570 0.221 0.000 2.378 530 I HA 0.506 4.676 4.170 0.000 0.000 0.291 530 I C -0.231 176.113 176.117 0.378 0.000 0.992 530 I CA -0.518 60.959 61.300 0.294 0.000 1.154 530 I CB 1.499 39.635 38.000 0.227 0.000 1.315 530 I HN 0.491 nan 8.210 nan 0.000 0.448 531 R N 4.270 124.993 120.500 0.371 0.000 2.628 531 R HA 0.342 4.682 4.340 0.000 0.000 0.288 531 R C -0.882 175.607 176.300 0.315 0.000 0.980 531 R CA -0.802 55.452 56.100 0.257 0.000 0.891 531 R CB 2.354 32.732 30.300 0.130 0.000 1.188 531 R HN 0.524 nan 8.270 nan 0.000 0.450 532 E N 3.820 124.050 120.200 0.049 0.000 2.152 532 E HA 0.167 4.517 4.350 0.000 0.000 0.285 532 E C -0.835 175.629 176.600 -0.227 0.000 1.043 532 E CA -0.528 55.777 56.400 -0.159 0.000 0.839 532 E CB 0.633 30.149 29.700 -0.308 0.000 1.069 532 E HN 0.168 nan 8.360 nan 0.000 0.399 533 L N 3.898 124.981 121.223 -0.233 0.000 2.331 533 L HA 0.545 4.885 4.340 0.000 0.000 0.268 533 L C 0.015 176.776 176.870 -0.181 0.000 1.015 533 L CA -0.718 54.029 54.840 -0.157 0.000 0.807 533 L CB 1.364 43.369 42.059 -0.090 0.000 1.293 533 L HN 0.591 nan 8.230 nan 0.000 0.451 534 N N -0.720 117.907 118.700 -0.122 0.000 2.610 534 N HA 0.333 5.074 4.740 0.000 0.000 0.264 534 N C -0.870 174.605 175.510 -0.058 0.000 1.348 534 N CA -0.663 52.325 53.050 -0.104 0.000 0.819 534 N CB 1.821 40.249 38.487 -0.097 0.000 1.521 534 N HN 0.383 nan 8.380 nan 0.000 0.497 535 K N 0.000 120.377 120.400 -0.039 0.000 2.780 535 K HA 0.000 4.320 4.320 0.000 0.000 0.191 535 K CA 0.000 56.311 56.287 0.041 0.000 0.838 535 K CB 0.000 32.541 32.500 0.068 0.000 1.064 535 K HN 0.000 nan 8.250 nan 0.000 0.543