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 2o56_1_H DATA FIRST_RESID 1 DATA SEQUENCE LMKITSVDII DVAXXXXXXX XKWRPVVVKI NTDEGISGFG EVGLAYGVGA DATA SEQUENCE SAGIGMAKDL SAIIIGMDPM NNEAIWEKML KKTFWGQGGG GIFSAAMSGI DATA SEQUENCE DIALWDIKGK AWGVPLYKML GGKSREKIRT YASQLQFGWG DGSDKDMLTE DATA SEQUENCE PEQYAQAALT AVSEGYDAIK VDTVAMDRHG NWNQQNLNGP LTDKILRLGY DATA SEQUENCE DRMAAIRDAV GPDVDIIAEM HAFTDTTSAI QFGRMIEELG IFYYEEPVMP DATA SEQUENCE LNPAQMKQVA DKVNIPLAAG ERIYWRWGYR PFLENGSLSV IQPDICTCGG DATA SEQUENCE ITEVKKICDM AHVYDKTVQI HVCGGPISTA VALHMETAIP NFVIHELHRY DATA SEQUENCE ALLEPNTQTC KYNYLPKNGM YEVPELPGIG QELTEETMKK SPTITVK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.872 176.870 0.003 0.000 1.165 1 L CA 0.000 54.846 54.840 0.010 0.000 0.813 1 L CB 0.000 42.063 42.059 0.006 0.000 0.961 2 M N -0.056 119.543 119.600 -0.002 0.000 2.202 2 M HA 0.658 5.138 4.480 -0.000 0.000 0.316 2 M C -0.551 175.738 176.300 -0.018 0.000 1.138 2 M CA 0.072 55.366 55.300 -0.011 0.000 1.151 2 M CB 0.877 33.466 32.600 -0.018 0.000 1.422 2 M HN 0.671 nan 8.290 nan 0.000 0.471 3 K N 1.335 121.722 120.400 -0.021 0.000 2.464 3 K HA 0.600 4.920 4.320 -0.000 0.000 0.253 3 K C -1.409 175.173 176.600 -0.029 0.000 0.933 3 K CA -0.656 55.617 56.287 -0.022 0.000 0.801 3 K CB 2.645 35.135 32.500 -0.017 0.000 1.271 3 K HN 0.674 nan 8.250 nan 0.000 0.430 4 I N 2.404 122.955 120.570 -0.033 0.000 2.496 4 I HA -0.021 4.149 4.170 -0.000 0.000 0.285 4 I C 1.436 177.534 176.117 -0.033 0.000 1.080 4 I CA 0.321 61.598 61.300 -0.038 0.000 1.404 4 I CB 1.137 39.111 38.000 -0.042 0.000 1.403 4 I HN 0.837 nan 8.210 nan 0.000 0.539 5 T N 0.116 114.649 114.554 -0.035 0.000 3.018 5 T HA 0.179 4.529 4.350 -0.000 0.000 0.246 5 T C 0.510 175.191 174.700 -0.032 0.000 1.026 5 T CA 0.263 62.345 62.100 -0.029 0.000 1.081 5 T CB 0.256 69.109 68.868 -0.025 0.000 0.970 5 T HN 0.641 nan 8.240 nan 0.000 0.475 6 S N -0.311 115.364 115.700 -0.041 0.000 2.567 6 S HA 0.675 5.145 4.470 -0.000 0.000 0.270 6 S C -1.761 172.803 174.600 -0.059 0.000 1.152 6 S CA -0.828 57.345 58.200 -0.044 0.000 0.835 6 S CB 1.980 65.156 63.200 -0.040 0.000 1.115 6 S HN 0.222 nan 8.310 nan 0.000 0.459 7 V N 1.950 121.829 119.914 -0.060 0.000 2.577 7 V HA 0.496 4.616 4.120 -0.000 0.000 0.303 7 V C -1.305 174.747 176.094 -0.070 0.000 1.042 7 V CA -0.692 61.563 62.300 -0.074 0.000 0.872 7 V CB 1.868 33.651 31.823 -0.068 0.000 0.998 7 V HN 0.972 nan 8.190 nan 0.000 0.423 8 D N 4.689 125.037 120.400 -0.086 0.000 2.198 8 D HA 0.514 5.153 4.640 -0.000 0.000 0.245 8 D C -0.616 175.646 176.300 -0.063 0.000 1.079 8 D CA -0.124 53.835 54.000 -0.069 0.000 0.854 8 D CB 2.625 43.383 40.800 -0.069 0.000 1.148 8 D HN 0.256 nan 8.370 nan 0.000 0.456 9 I N 2.780 123.323 120.570 -0.046 0.000 2.354 9 I HA 0.267 4.437 4.170 -0.000 0.000 0.286 9 I C 0.005 176.106 176.117 -0.026 0.000 1.007 9 I CA -0.318 60.958 61.300 -0.040 0.000 1.167 9 I CB 1.058 39.031 38.000 -0.045 0.000 1.320 9 I HN 0.144 nan 8.210 nan 0.000 0.458 10 I N 5.070 125.632 120.570 -0.014 0.000 2.362 10 I HA 0.259 4.429 4.170 -0.000 0.000 0.289 10 I C -0.369 175.747 176.117 -0.002 0.000 0.994 10 I CA -0.541 60.760 61.300 0.003 0.000 1.158 10 I CB 1.473 39.493 38.000 0.032 0.000 1.315 10 I HN 0.416 nan 8.210 nan 0.000 0.451 11 D N 6.799 127.194 120.400 -0.008 0.000 2.441 11 D HA 0.162 4.802 4.640 -0.000 0.000 0.221 11 D C -0.401 175.897 176.300 -0.004 0.000 1.156 11 D CA -0.232 53.757 54.000 -0.019 0.000 0.896 11 D CB 0.897 41.683 40.800 -0.023 0.000 1.028 11 D HN 0.084 nan 8.370 nan 0.000 0.509 12 V N 3.932 123.845 119.914 -0.002 0.000 2.425 12 V HA 0.294 4.414 4.120 -0.000 0.000 0.276 12 V C 1.229 177.345 176.094 0.037 0.000 1.017 12 V CA -0.377 61.940 62.300 0.029 0.000 1.062 12 V CB 0.098 31.949 31.823 0.046 0.000 0.997 12 V HN 0.659 nan 8.190 nan 0.000 0.476 23 W N 4.195 125.466 121.300 -0.050 0.000 2.424 23 W HA 0.513 5.173 4.660 -0.000 0.000 0.318 23 W C -1.049 175.451 176.519 -0.033 0.000 1.016 23 W CA -0.540 56.770 57.345 -0.058 0.000 1.268 23 W CB 1.211 30.601 29.460 -0.116 0.000 1.297 23 W HN 0.454 nan 8.180 nan 0.000 0.428 24 R N 6.399 126.602 120.500 -0.495 0.000 2.585 24 R HA 0.215 4.555 4.340 -0.000 0.000 0.278 24 R C -2.422 173.587 176.300 -0.485 0.000 1.663 24 R CA -1.515 54.363 56.100 -0.369 0.000 1.592 24 R CB 1.438 31.620 30.300 -0.195 0.000 1.200 24 R HN 0.148 nan 8.270 nan 0.000 0.611 25 P HA 0.060 nan 4.420 nan 0.000 0.271 25 P C -0.379 176.827 177.300 -0.157 0.000 1.216 25 P CA -0.039 62.851 63.100 -0.350 0.000 0.771 25 P CB 1.477 33.059 31.700 -0.197 0.000 0.864 26 V N 4.476 124.324 119.914 -0.109 0.000 2.540 26 V HA 0.315 4.435 4.120 -0.000 0.000 0.302 26 V C 0.218 176.309 176.094 -0.004 0.000 1.035 26 V CA -0.732 61.534 62.300 -0.056 0.000 0.873 26 V CB 2.385 34.164 31.823 -0.074 0.000 0.992 26 V HN 0.274 nan 8.190 nan 0.000 0.428 27 V N 5.203 125.133 119.914 0.026 0.000 2.555 27 V HA 0.521 4.641 4.120 -0.000 0.000 0.302 27 V C -0.323 175.790 176.094 0.032 0.000 1.038 27 V CA -0.617 61.725 62.300 0.070 0.000 0.887 27 V CB 2.309 34.221 31.823 0.149 0.000 0.991 27 V HN 0.607 nan 8.190 nan 0.000 0.434 28 V N 4.653 124.583 119.914 0.025 0.000 2.394 28 V HA 0.478 4.598 4.120 -0.000 0.000 0.282 28 V C -0.051 175.982 176.094 -0.102 0.000 1.031 28 V CA -0.687 61.594 62.300 -0.031 0.000 0.881 28 V CB 1.511 33.322 31.823 -0.021 0.000 0.982 28 V HN 0.834 nan 8.190 nan 0.000 0.451 29 K N 5.638 125.922 120.400 -0.192 0.000 2.450 29 K HA 0.605 4.925 4.320 -0.000 0.000 0.257 29 K C -1.274 175.162 176.600 -0.274 0.000 0.953 29 K CA -0.540 55.501 56.287 -0.410 0.000 0.844 29 K CB 1.198 33.370 32.500 -0.547 0.000 1.103 29 K HN 0.640 nan 8.250 nan 0.000 0.429 30 I N 3.994 124.417 120.570 -0.245 0.000 2.336 30 I HA 0.247 4.417 4.170 -0.000 0.000 0.292 30 I C -0.329 175.702 176.117 -0.144 0.000 0.991 30 I CA -0.948 60.263 61.300 -0.149 0.000 1.227 30 I CB 1.431 39.371 38.000 -0.100 0.000 1.366 30 I HN 0.546 nan 8.210 nan 0.000 0.466 31 N N 4.272 122.908 118.700 -0.107 0.000 2.361 31 N HA 0.492 5.232 4.740 -0.000 0.000 0.302 31 N C -0.499 174.977 175.510 -0.058 0.000 1.074 31 N CA -0.409 52.591 53.050 -0.083 0.000 0.850 31 N CB 2.390 40.832 38.487 -0.074 0.000 1.228 31 N HN 0.604 nan 8.380 nan 0.000 0.491 32 T N -2.958 111.569 114.554 -0.045 0.000 2.942 32 T HA 0.247 4.597 4.350 -0.000 0.000 0.289 32 T C 0.733 175.419 174.700 -0.023 0.000 1.044 32 T CA -0.746 61.333 62.100 -0.035 0.000 1.023 32 T CB 1.428 70.275 68.868 -0.036 0.000 1.123 32 T HN 0.414 nan 8.240 nan 0.000 0.512 33 D N 0.018 120.407 120.400 -0.019 0.000 2.309 33 D HA -0.126 4.514 4.640 -0.000 0.000 0.212 33 D C 1.083 177.380 176.300 -0.006 0.000 0.968 33 D CA 0.917 54.910 54.000 -0.011 0.000 0.882 33 D CB -0.246 40.548 40.800 -0.010 0.000 0.918 33 D HN 0.814 nan 8.370 nan 0.000 0.503 34 E N -0.537 119.659 120.200 -0.006 0.000 2.479 34 E HA 0.242 4.592 4.350 -0.000 0.000 0.193 34 E C 1.087 177.690 176.600 0.004 0.000 1.049 34 E CA 0.263 56.663 56.400 0.001 0.000 0.870 34 E CB 0.161 29.863 29.700 0.003 0.000 0.944 34 E HN 0.464 nan 8.360 nan 0.000 0.492 35 G N 1.794 110.594 108.800 0.000 0.000 2.179 35 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.260 35 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.260 35 G C 0.272 175.180 174.900 0.013 0.000 0.977 35 G CA -0.019 45.085 45.100 0.007 0.000 0.641 35 G HN 0.243 nan 8.290 nan 0.000 0.533 36 I N 1.952 122.525 120.570 0.005 0.000 2.416 36 I HA 0.401 4.571 4.170 -0.000 0.000 0.288 36 I C 0.393 176.506 176.117 -0.006 0.000 1.051 36 I CA -0.021 61.285 61.300 0.010 0.000 1.375 36 I CB 1.442 39.439 38.000 -0.005 0.000 1.407 36 I HN 0.059 nan 8.210 nan 0.000 0.516 37 S N 3.904 119.613 115.700 0.015 0.000 2.472 37 S HA 0.694 5.164 4.470 -0.000 0.000 0.303 37 S C 0.094 174.689 174.600 -0.008 0.000 1.099 37 S CA -0.690 57.483 58.200 -0.045 0.000 1.077 37 S CB 1.861 65.009 63.200 -0.087 0.000 1.031 37 S HN 0.788 nan 8.310 nan 0.000 0.487 38 G N 1.349 110.093 108.800 -0.093 0.000 2.416 38 G HA2 0.703 4.663 3.960 -0.000 0.000 0.329 38 G HA3 0.703 4.663 3.960 -0.000 0.000 0.329 38 G C -1.340 173.487 174.900 -0.121 0.000 1.173 38 G CA -0.526 44.578 45.100 0.007 0.000 0.929 38 G HN 0.516 nan 8.290 nan 0.000 0.475 39 F N 0.638 120.619 119.950 0.052 0.000 2.469 39 F HA 0.701 5.228 4.527 0.000 0.000 0.332 39 F C 0.845 176.689 175.800 0.073 0.000 1.103 39 F CA -0.128 57.909 58.000 0.062 0.000 0.979 39 F CB 2.721 41.768 39.000 0.078 0.000 1.137 39 F HN 0.706 nan 8.300 nan 0.000 0.463 40 G N 1.585 110.507 108.800 0.203 0.000 2.766 40 G HA2 0.593 4.553 3.960 -0.000 0.000 0.288 40 G HA3 0.593 4.553 3.960 -0.000 0.000 0.288 40 G C -2.098 172.892 174.900 0.149 0.000 1.408 40 G CA -0.655 44.548 45.100 0.172 0.000 0.852 40 G HN 0.539 nan 8.290 nan 0.000 0.487 41 E N -0.738 119.538 120.200 0.127 0.000 2.272 41 E HA 0.537 4.887 4.350 -0.000 0.000 0.269 41 E C -1.331 175.314 176.600 0.075 0.000 0.877 41 E CA -0.665 55.797 56.400 0.102 0.000 0.755 41 E CB 2.509 32.282 29.700 0.121 0.000 1.192 41 E HN 0.247 nan 8.360 nan 0.000 0.422 42 V N 3.435 123.368 119.914 0.032 0.000 2.383 42 V HA 0.415 4.535 4.120 -0.000 0.000 0.275 42 V C 0.761 176.847 176.094 -0.014 0.000 1.036 42 V CA -0.206 62.097 62.300 0.006 0.000 0.889 42 V CB 1.347 33.150 31.823 -0.034 0.000 0.985 42 V HN 0.823 nan 8.190 nan 0.000 0.459 43 G N 5.181 113.991 108.800 0.017 0.000 3.636 43 G HA2 0.460 4.420 3.960 -0.000 0.000 0.260 43 G HA3 0.460 4.420 3.960 -0.000 0.000 0.260 43 G C 0.031 174.883 174.900 -0.080 0.000 1.014 43 G CA -0.135 44.984 45.100 0.031 0.000 1.797 43 G HN 0.683 nan 8.290 nan 0.000 0.637 44 L N 0.926 122.041 121.223 -0.180 0.000 3.193 44 L HA 0.268 4.608 4.340 -0.000 0.000 0.305 44 L C 1.802 178.442 176.870 -0.383 0.000 1.299 44 L CA -0.418 54.237 54.840 -0.309 0.000 0.904 44 L CB 1.017 42.947 42.059 -0.215 0.000 1.331 44 L HN 0.351 nan 8.230 nan 0.000 0.588 45 A N -0.103 122.462 122.820 -0.424 0.000 2.119 45 A HA 0.039 4.359 4.320 -0.000 0.000 0.217 45 A C 0.700 178.063 177.584 -0.368 0.000 1.153 45 A CA 1.008 52.691 52.037 -0.592 0.000 0.692 45 A CB -0.271 18.045 19.000 -1.140 0.000 0.799 45 A HN 0.527 nan 8.150 nan 0.000 0.458 46 Y N -4.280 115.930 120.300 -0.150 0.000 2.773 46 Y HA 0.654 5.204 4.550 -0.000 0.000 0.323 46 Y C 0.891 176.821 175.900 0.050 0.000 1.183 46 Y CA -1.353 56.769 58.100 0.036 0.000 1.144 46 Y CB 0.058 38.626 38.460 0.179 0.000 1.340 46 Y HN 0.705 nan 8.280 nan 0.000 0.531 47 G N -0.162 108.759 108.800 0.203 0.000 2.645 47 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.246 47 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.246 47 G C -1.515 173.398 174.900 0.023 0.000 1.322 47 G CA -0.334 44.831 45.100 0.108 0.000 0.898 47 G HN 1.060 nan 8.290 nan 0.000 0.573 48 V N 0.957 120.876 119.914 0.008 0.000 2.357 48 V HA 0.704 4.824 4.120 -0.000 0.000 0.284 48 V C 1.128 177.196 176.094 -0.043 0.000 1.018 48 V CA 1.160 63.455 62.300 -0.008 0.000 0.841 48 V CB 0.541 32.372 31.823 0.014 0.000 0.991 48 V HN 2.525 nan 8.190 nan 0.000 0.437 49 G N 3.535 112.297 108.800 -0.063 0.000 3.732 49 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.220 49 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.220 49 G C 0.901 175.745 174.900 -0.094 0.000 0.903 49 G CA 0.504 45.559 45.100 -0.076 0.000 0.896 49 G HN 0.935 nan 8.290 nan 0.000 0.685 50 A N 1.158 123.914 122.820 -0.106 0.000 1.978 50 A HA 0.139 4.459 4.320 -0.000 0.000 0.220 50 A C 2.517 180.046 177.584 -0.092 0.000 1.170 50 A CA 2.708 54.674 52.037 -0.118 0.000 0.636 50 A CB -0.560 18.357 19.000 -0.139 0.000 0.810 50 A HN 0.836 nan 8.150 nan 0.000 0.448 51 S N 0.041 115.697 115.700 -0.074 0.000 2.399 51 S HA 0.003 4.472 4.470 -0.000 0.000 0.231 51 S C 2.194 176.755 174.600 -0.065 0.000 1.022 51 S CA 1.026 59.189 58.200 -0.062 0.000 0.983 51 S CB -0.382 62.788 63.200 -0.049 0.000 0.803 51 S HN 0.802 nan 8.310 nan 0.000 0.480 52 A N 1.693 124.471 122.820 -0.069 0.000 1.930 52 A HA 0.153 4.473 4.320 -0.000 0.000 0.217 52 A C 2.337 179.872 177.584 -0.083 0.000 1.175 52 A CA 1.493 53.486 52.037 -0.072 0.000 0.627 52 A CB -1.351 17.606 19.000 -0.072 0.000 0.815 52 A HN 0.508 nan 8.150 nan 0.000 0.443 53 G N 0.041 108.787 108.800 -0.091 0.000 2.422 53 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.218 53 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.218 53 G C 1.512 176.358 174.900 -0.091 0.000 1.146 53 G CA 1.117 46.158 45.100 -0.098 0.000 0.769 53 G HN 0.470 nan 8.290 nan 0.000 0.547 54 I N 1.111 121.634 120.570 -0.079 0.000 2.142 54 I HA -0.083 4.087 4.170 -0.000 0.000 0.240 54 I C 3.106 179.181 176.117 -0.069 0.000 1.078 54 I CA 1.178 62.437 61.300 -0.069 0.000 1.343 54 I CB -0.462 37.502 38.000 -0.059 0.000 1.046 54 I HN 0.239 nan 8.210 nan 0.000 0.405 55 G N 0.186 108.946 108.800 -0.067 0.000 2.422 55 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.218 55 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.218 55 G C 1.621 176.475 174.900 -0.077 0.000 1.146 55 G CA 0.777 45.840 45.100 -0.062 0.000 0.769 55 G HN 0.188 nan 8.290 nan 0.000 0.547 56 M N 1.331 120.871 119.600 -0.100 0.000 2.099 56 M HA 0.246 4.726 4.480 -0.000 0.000 0.262 56 M C 2.713 178.911 176.300 -0.168 0.000 1.067 56 M CA 1.573 56.783 55.300 -0.151 0.000 1.124 56 M CB -0.420 32.067 32.600 -0.189 0.000 1.353 56 M HN 0.211 nan 8.290 nan 0.000 0.410 57 A N -0.307 122.432 122.820 -0.135 0.000 1.933 57 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 57 A C 2.240 179.769 177.584 -0.092 0.000 1.175 57 A CA 2.019 53.987 52.037 -0.115 0.000 0.628 57 A CB -0.834 18.114 19.000 -0.085 0.000 0.814 57 A HN 0.585 nan 8.150 nan 0.000 0.444 58 K N -0.490 119.863 120.400 -0.077 0.000 2.032 58 K HA -0.231 4.089 4.320 -0.000 0.000 0.209 58 K C 1.296 177.861 176.600 -0.057 0.000 1.048 58 K CA 1.921 58.172 56.287 -0.060 0.000 0.927 58 K CB -0.245 32.226 32.500 -0.049 0.000 0.712 58 K HN 0.365 nan 8.250 nan 0.000 0.441 59 D N 0.673 121.036 120.400 -0.062 0.000 2.149 59 D HA -0.097 4.543 4.640 -0.000 0.000 0.201 59 D C 2.000 178.268 176.300 -0.054 0.000 0.972 59 D CA 0.781 54.755 54.000 -0.043 0.000 0.835 59 D CB -0.046 40.738 40.800 -0.027 0.000 0.966 59 D HN 0.222 nan 8.370 nan 0.000 0.476 60 L N 0.510 121.673 121.223 -0.101 0.000 2.093 60 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 60 L C 2.381 179.204 176.870 -0.077 0.000 1.085 60 L CA 0.728 55.500 54.840 -0.114 0.000 0.755 60 L CB -0.219 41.721 42.059 -0.198 0.000 0.904 60 L HN -0.060 nan 8.230 nan 0.000 0.435 61 S N 0.104 115.761 115.700 -0.071 0.000 2.383 61 S HA -0.204 4.266 4.470 -0.000 0.000 0.229 61 S C 2.192 176.767 174.600 -0.042 0.000 1.030 61 S CA 1.165 59.331 58.200 -0.056 0.000 1.002 61 S CB -0.315 62.851 63.200 -0.056 0.000 0.829 61 S HN 0.515 nan 8.310 nan 0.000 0.467 62 A N 1.869 124.668 122.820 -0.036 0.000 1.978 62 A HA -0.106 4.214 4.320 -0.000 0.000 0.220 62 A C 2.094 179.666 177.584 -0.020 0.000 1.170 62 A CA 1.582 53.605 52.037 -0.024 0.000 0.636 62 A CB -0.832 18.158 19.000 -0.017 0.000 0.810 62 A HN 0.723 nan 8.150 nan 0.000 0.448 63 I N -2.273 118.284 120.570 -0.021 0.000 3.251 63 I HA 0.125 4.295 4.170 -0.000 0.000 0.277 63 I C 1.644 177.750 176.117 -0.019 0.000 1.268 63 I CA 0.870 62.161 61.300 -0.015 0.000 1.449 63 I CB -0.034 37.962 38.000 -0.006 0.000 1.083 63 I HN 0.397 nan 8.210 nan 0.000 0.464 64 I N -1.018 119.535 120.570 -0.027 0.000 4.018 64 I HA 0.302 4.472 4.170 -0.000 0.000 0.337 64 I C 0.452 176.553 176.117 -0.027 0.000 1.327 64 I CA -0.396 60.888 61.300 -0.027 0.000 1.100 64 I CB 0.057 38.038 38.000 -0.033 0.000 1.025 64 I HN -0.131 nan 8.210 nan 0.000 0.396 65 I N 3.822 124.376 120.570 -0.027 0.000 2.752 65 I HA 0.111 4.281 4.170 -0.000 0.000 0.289 65 I C 1.574 177.678 176.117 -0.021 0.000 1.197 65 I CA 1.474 62.759 61.300 -0.026 0.000 1.432 65 I CB -0.375 37.611 38.000 -0.024 0.000 1.359 65 I HN 0.617 nan 8.210 nan 0.000 0.571 66 G N 5.498 114.285 108.800 -0.021 0.000 2.199 66 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.254 66 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.254 66 G C 0.375 175.265 174.900 -0.017 0.000 0.982 66 G CA -0.182 44.907 45.100 -0.017 0.000 0.632 66 G HN 0.492 nan 8.290 nan 0.000 0.529 67 M N 0.929 120.517 119.600 -0.020 0.000 2.255 67 M HA 0.322 4.802 4.480 -0.000 0.000 0.336 67 M C 0.104 176.389 176.300 -0.025 0.000 1.135 67 M CA -0.572 54.716 55.300 -0.020 0.000 1.145 67 M CB 0.664 33.252 32.600 -0.019 0.000 1.473 67 M HN 0.116 nan 8.290 nan 0.000 0.462 68 D N 3.923 124.309 120.400 -0.023 0.000 2.382 68 D HA 0.080 4.720 4.640 -0.000 0.000 0.259 68 D C -1.610 174.661 176.300 -0.047 0.000 1.224 68 D CA -1.646 52.336 54.000 -0.030 0.000 0.894 68 D CB 0.922 41.710 40.800 -0.020 0.000 1.127 68 D HN 0.264 nan 8.370 nan 0.000 0.487 69 P HA -0.086 nan 4.420 nan 0.000 0.233 69 P C 1.364 178.579 177.300 -0.142 0.000 1.167 69 P CA 0.359 63.404 63.100 -0.091 0.000 0.770 69 P CB 0.204 31.847 31.700 -0.095 0.000 0.837 70 M N -0.551 118.971 119.600 -0.130 0.000 2.460 70 M HA -0.013 4.467 4.480 -0.000 0.000 0.263 70 M C 0.409 176.618 176.300 -0.152 0.000 1.071 70 M CA 0.942 56.143 55.300 -0.166 0.000 1.096 70 M CB -1.382 31.172 32.600 -0.076 0.000 1.408 70 M HN -0.056 nan 8.290 nan 0.000 0.463 71 N N 2.388 121.030 118.700 -0.097 0.000 3.331 71 N HA 0.041 4.781 4.740 -0.000 0.000 0.303 71 N C 0.856 176.331 175.510 -0.058 0.000 1.326 71 N CA -0.040 52.972 53.050 -0.063 0.000 1.207 71 N CB -0.417 38.057 38.487 -0.023 0.000 1.477 71 N HN 0.410 nan 8.380 nan 0.000 0.541 72 N N 0.624 119.247 118.700 -0.127 0.000 2.223 72 N HA -0.182 4.558 4.740 -0.000 0.000 0.185 72 N C 0.779 176.341 175.510 0.086 0.000 1.016 72 N CA 1.042 54.055 53.050 -0.061 0.000 0.863 72 N CB 0.177 38.519 38.487 -0.242 0.000 0.983 72 N HN 0.278 nan 8.380 nan 0.000 0.429 73 E N 1.248 121.482 120.200 0.057 0.000 2.047 73 E HA -0.049 4.301 4.350 -0.000 0.000 0.191 73 E C 2.108 178.794 176.600 0.143 0.000 0.987 73 E CA 1.248 57.714 56.400 0.111 0.000 0.799 73 E CB -0.340 29.399 29.700 0.066 0.000 0.752 73 E HN 0.555 nan 8.360 nan 0.000 0.449 74 A N 1.188 124.061 122.820 0.088 0.000 1.930 74 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 74 A C 2.284 179.919 177.584 0.086 0.000 1.175 74 A CA 0.965 53.049 52.037 0.079 0.000 0.627 74 A CB -0.585 18.441 19.000 0.043 0.000 0.815 74 A HN 0.136 nan 8.150 nan 0.000 0.443 75 I N -2.844 117.774 120.570 0.081 0.000 2.202 75 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 75 I C 2.394 178.569 176.117 0.097 0.000 1.091 75 I CA 1.376 62.715 61.300 0.064 0.000 1.368 75 I CB -0.304 37.719 38.000 0.038 0.000 1.058 75 I HN 0.643 nan 8.210 nan 0.000 0.410 76 W N 1.919 123.223 121.300 0.007 0.000 2.335 76 W HA -0.281 4.379 4.660 -0.000 0.000 0.311 76 W C 2.616 179.120 176.519 -0.026 0.000 1.213 76 W CA 2.030 59.375 57.345 -0.001 0.000 1.274 76 W CB 0.006 29.479 29.460 0.021 0.000 1.148 76 W HN 0.064 nan 8.180 nan 0.000 0.498 77 E N 0.515 120.921 120.200 0.343 0.000 2.153 77 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 77 E C 2.068 178.691 176.600 0.038 0.000 0.988 77 E CA 1.697 58.228 56.400 0.218 0.000 0.811 77 E CB -0.315 29.507 29.700 0.203 0.000 0.746 77 E HN 0.184 nan 8.360 nan 0.000 0.466 78 K N -0.305 120.108 120.400 0.022 0.000 2.026 78 K HA -0.140 4.180 4.320 -0.000 0.000 0.208 78 K C 2.055 178.624 176.600 -0.051 0.000 1.048 78 K CA 1.688 57.968 56.287 -0.012 0.000 0.929 78 K CB -0.102 32.398 32.500 -0.001 0.000 0.713 78 K HN 0.214 nan 8.250 nan 0.000 0.439 79 M N 0.536 120.069 119.600 -0.111 0.000 2.213 79 M HA -0.164 4.316 4.480 -0.000 0.000 0.263 79 M C 2.191 178.421 176.300 -0.117 0.000 1.062 79 M CA 0.937 56.167 55.300 -0.117 0.000 1.105 79 M CB -0.253 32.199 32.600 -0.246 0.000 1.385 79 M HN 0.192 nan 8.290 nan 0.000 0.417 80 L N 0.613 121.631 121.223 -0.342 0.000 2.005 80 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 80 L C 2.140 178.876 176.870 -0.224 0.000 1.072 80 L CA 1.956 56.560 54.840 -0.392 0.000 0.744 80 L CB -0.336 41.448 42.059 -0.459 0.000 0.895 80 L HN 0.047 nan 8.230 nan 0.000 0.433 81 K N -0.850 119.467 120.400 -0.138 0.000 2.352 81 K HA 0.155 4.475 4.320 -0.000 0.000 0.194 81 K C 1.133 177.687 176.600 -0.077 0.000 1.038 81 K CA 0.304 56.525 56.287 -0.110 0.000 1.023 81 K CB 0.373 32.839 32.500 -0.057 0.000 0.840 81 K HN 0.225 nan 8.250 nan 0.000 0.519 82 K N 0.569 120.945 120.400 -0.039 0.000 2.413 82 K HA 0.119 4.439 4.320 -0.000 0.000 0.204 82 K C 1.108 177.726 176.600 0.029 0.000 1.041 82 K CA 0.350 56.634 56.287 -0.006 0.000 1.082 82 K CB 1.079 33.580 32.500 0.001 0.000 0.871 82 K HN 0.137 nan 8.250 nan 0.000 0.535 83 T N -3.009 111.574 114.554 0.048 0.000 3.023 83 T HA 0.143 4.493 4.350 -0.000 0.000 0.253 83 T C 1.120 175.882 174.700 0.104 0.000 1.038 83 T CA -0.240 61.947 62.100 0.145 0.000 0.962 83 T CB -0.235 68.842 68.868 0.349 0.000 1.018 83 T HN 0.117 nan 8.240 nan 0.000 0.521 84 F N 0.478 120.285 119.950 -0.239 0.000 2.555 84 F HA -0.371 4.156 4.527 -0.000 0.000 0.693 84 F C 0.688 176.162 175.800 -0.543 0.000 0.487 84 F CA 1.842 59.539 58.000 -0.504 0.000 0.748 84 F CB -1.395 37.124 39.000 -0.802 0.000 1.624 84 F HN 0.304 nan 8.300 nan 0.000 0.266 85 W N 0.765 122.088 121.300 0.040 0.000 2.678 85 W HA 0.226 4.886 4.660 -0.000 0.000 0.256 85 W C 2.333 178.422 176.519 -0.717 0.000 1.280 85 W CA 0.783 58.022 57.345 -0.178 0.000 1.345 85 W CB -1.031 28.462 29.460 0.055 0.000 1.118 85 W HN 0.400 nan 8.180 nan 0.000 0.629 86 G N 0.803 109.142 108.800 -0.769 0.000 2.469 86 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.219 86 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.219 86 G C 1.347 176.011 174.900 -0.395 0.000 1.150 86 G CA 0.896 45.446 45.100 -0.916 0.000 0.763 86 G HN 0.328 nan 8.290 nan 0.000 0.561 87 Q N 0.010 119.590 119.800 -0.367 0.000 2.488 87 Q HA 0.103 4.443 4.340 -0.000 0.000 0.211 87 Q C 2.422 178.278 176.000 -0.241 0.000 0.967 87 Q CA 0.461 56.081 55.803 -0.306 0.000 0.926 87 Q CB 0.157 28.678 28.738 -0.362 0.000 0.992 87 Q HN 0.467 nan 8.270 nan 0.000 0.506 88 G N -0.114 108.561 108.800 -0.209 0.000 2.887 88 G HA2 0.359 4.319 3.960 -0.000 0.000 0.211 88 G HA3 0.359 4.319 3.960 -0.000 0.000 0.211 88 G C 0.574 175.396 174.900 -0.131 0.000 1.152 88 G CA 0.226 45.258 45.100 -0.114 0.000 0.769 88 G HN 0.449 nan 8.290 nan 0.000 0.541 89 G N -1.415 107.262 108.800 -0.205 0.000 2.829 89 G HA2 0.466 4.425 3.960 -0.000 0.000 0.628 89 G HA3 0.466 4.425 3.960 -0.000 0.000 0.628 89 G C 0.145 174.869 174.900 -0.294 0.000 1.412 89 G CA -0.203 44.669 45.100 -0.381 0.000 0.864 89 G HN 1.924 nan 8.290 nan 0.000 0.544 90 G N -1.949 106.620 108.800 -0.384 0.000 2.350 90 G HA2 0.614 4.574 3.960 -0.000 0.000 0.305 90 G HA3 0.614 4.574 3.960 -0.000 0.000 0.305 90 G C 0.889 175.505 174.900 -0.473 0.000 1.479 90 G CA 0.819 45.777 45.100 -0.236 0.000 0.949 90 G HN 2.093 nan 8.290 nan 0.000 0.651 91 G N -0.389 108.094 108.800 -0.527 0.000 2.402 91 G HA2 0.061 4.020 3.960 -0.000 0.000 0.216 91 G HA3 0.061 4.020 3.960 -0.000 0.000 0.216 91 G C 1.646 176.309 174.900 -0.395 0.000 1.162 91 G CA 1.649 46.232 45.100 -0.862 0.000 0.777 91 G HN 0.547 nan 8.290 nan 0.000 0.539 92 I N 0.093 120.552 120.570 -0.185 0.000 2.202 92 I HA -0.017 4.153 4.170 -0.000 0.000 0.242 92 I C 2.421 178.501 176.117 -0.061 0.000 1.091 92 I CA 0.628 61.864 61.300 -0.106 0.000 1.368 92 I CB -1.355 36.603 38.000 -0.069 0.000 1.058 92 I HN 0.159 nan 8.210 nan 0.000 0.410 93 F N 1.501 121.380 119.950 -0.119 0.000 2.095 93 F HA -0.286 4.241 4.527 -0.000 0.000 0.298 93 F C 3.017 178.836 175.800 0.031 0.000 1.104 93 F CA 2.117 60.100 58.000 -0.027 0.000 1.232 93 F CB -0.093 38.922 39.000 0.025 0.000 0.987 93 F HN 0.019 nan 8.300 nan 0.000 0.475 94 S N -0.263 115.572 115.700 0.225 0.000 2.383 94 S HA -0.113 4.357 4.470 -0.000 0.000 0.227 94 S C 2.217 176.919 174.600 0.172 0.000 1.026 94 S CA 0.984 59.384 58.200 0.334 0.000 0.981 94 S CB -0.641 62.587 63.200 0.047 0.000 0.818 94 S HN 0.449 nan 8.310 nan 0.000 0.472 95 A N 1.243 124.061 122.820 -0.004 0.000 1.933 95 A HA 0.209 4.529 4.320 -0.000 0.000 0.218 95 A C 2.429 180.014 177.584 0.002 0.000 1.175 95 A CA 1.812 53.853 52.037 0.008 0.000 0.628 95 A CB -1.269 17.698 19.000 -0.055 0.000 0.814 95 A HN 0.739 nan 8.150 nan 0.000 0.444 96 A N -0.794 121.986 122.820 -0.065 0.000 1.897 96 A HA -0.044 4.276 4.320 -0.000 0.000 0.215 96 A C 2.239 179.769 177.584 -0.090 0.000 1.181 96 A CA 1.582 53.555 52.037 -0.106 0.000 0.620 96 A CB -0.521 18.360 19.000 -0.197 0.000 0.821 96 A HN 0.492 nan 8.150 nan 0.000 0.443 97 M N 0.033 119.571 119.600 -0.104 0.000 2.106 97 M HA -0.188 4.292 4.480 -0.000 0.000 0.259 97 M C 2.408 178.757 176.300 0.082 0.000 1.068 97 M CA 1.937 57.198 55.300 -0.064 0.000 1.100 97 M CB -0.409 32.154 32.600 -0.062 0.000 1.351 97 M HN 0.493 nan 8.290 nan 0.000 0.404 98 S N 0.201 115.999 115.700 0.163 0.000 2.348 98 S HA -0.096 4.374 4.470 -0.000 0.000 0.221 98 S C 1.977 176.673 174.600 0.160 0.000 1.033 98 S CA 1.407 59.739 58.200 0.220 0.000 1.010 98 S CB -0.973 62.368 63.200 0.235 0.000 0.891 98 S HN 0.688 nan 8.310 nan 0.000 0.442 99 G N 1.617 110.478 108.800 0.101 0.000 2.440 99 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.218 99 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.218 99 G C 1.371 176.317 174.900 0.076 0.000 1.154 99 G CA 0.842 45.991 45.100 0.082 0.000 0.767 99 G HN 0.466 nan 8.290 nan 0.000 0.552 100 I N 0.606 121.206 120.570 0.049 0.000 2.179 100 I HA -0.136 4.034 4.170 -0.000 0.000 0.242 100 I C 2.425 178.602 176.117 0.101 0.000 1.088 100 I CA 1.647 62.970 61.300 0.038 0.000 1.357 100 I CB -0.192 37.803 38.000 -0.009 0.000 1.051 100 I HN 0.188 nan 8.210 nan 0.000 0.409 101 D N 0.949 121.451 120.400 0.169 0.000 2.123 101 D HA -0.195 4.445 4.640 -0.000 0.000 0.196 101 D C 2.154 178.658 176.300 0.340 0.000 0.992 101 D CA 1.412 55.587 54.000 0.291 0.000 0.833 101 D CB -0.015 41.032 40.800 0.412 0.000 0.954 101 D HN 0.286 nan 8.370 nan 0.000 0.455 102 I N 0.419 121.139 120.570 0.250 0.000 2.226 102 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 102 I C 2.446 178.695 176.117 0.220 0.000 1.100 102 I CA 1.071 62.508 61.300 0.227 0.000 1.374 102 I CB -0.306 37.791 38.000 0.163 0.000 1.057 102 I HN 0.077 nan 8.210 nan 0.000 0.413 103 A N 0.776 123.688 122.820 0.154 0.000 1.972 103 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 103 A C 2.275 179.896 177.584 0.061 0.000 1.169 103 A CA 1.287 53.381 52.037 0.096 0.000 0.635 103 A CB -0.732 18.283 19.000 0.025 0.000 0.810 103 A HN 0.404 nan 8.150 nan 0.000 0.446 104 L N -2.883 118.379 121.223 0.066 0.000 2.093 104 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 104 L C 2.508 179.302 176.870 -0.126 0.000 1.085 104 L CA 1.053 55.868 54.840 -0.042 0.000 0.755 104 L CB -0.535 41.488 42.059 -0.059 0.000 0.904 104 L HN 0.561 nan 8.230 nan 0.000 0.435 105 W N 0.620 121.880 121.300 -0.067 0.000 2.402 105 W HA -0.174 4.485 4.660 -0.000 0.000 0.286 105 W C 2.367 178.803 176.519 -0.139 0.000 1.221 105 W CA 1.193 58.470 57.345 -0.115 0.000 1.257 105 W CB -0.309 29.105 29.460 -0.077 0.000 1.120 105 W HN 0.185 nan 8.180 nan 0.000 0.551 106 D N 0.337 120.821 120.400 0.139 0.000 2.104 106 D HA -0.193 4.447 4.640 -0.000 0.000 0.194 106 D C 1.964 178.257 176.300 -0.012 0.000 0.994 106 D CA 1.592 55.637 54.000 0.076 0.000 0.830 106 D CB -0.393 40.495 40.800 0.146 0.000 0.959 106 D HN 0.075 nan 8.370 nan 0.000 0.452 107 I N 0.262 120.800 120.570 -0.053 0.000 2.194 107 I HA -0.270 3.900 4.170 -0.000 0.000 0.246 107 I C 2.550 178.512 176.117 -0.258 0.000 1.093 107 I CA 1.148 62.375 61.300 -0.121 0.000 1.355 107 I CB -0.249 37.676 38.000 -0.125 0.000 1.046 107 I HN 0.049 nan 8.210 nan 0.000 0.413 108 K N 0.873 121.036 120.400 -0.394 0.000 2.057 108 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 108 K C 2.120 178.237 176.600 -0.805 0.000 1.049 108 K CA 1.607 57.430 56.287 -0.774 0.000 0.931 108 K CB -0.338 31.629 32.500 -0.888 0.000 0.714 108 K HN 0.410 nan 8.250 nan 0.000 0.440 109 G N 1.157 109.723 108.800 -0.390 0.000 2.402 109 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 109 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 109 G C 1.316 176.150 174.900 -0.110 0.000 1.162 109 G CA 0.604 45.587 45.100 -0.195 0.000 0.777 109 G HN 0.275 nan 8.290 nan 0.000 0.539 110 K N 0.599 120.940 120.400 -0.099 0.000 2.057 110 K HA 0.060 4.380 4.320 -0.000 0.000 0.207 110 K C 2.907 179.490 176.600 -0.029 0.000 1.049 110 K CA 0.960 57.228 56.287 -0.032 0.000 0.931 110 K CB -0.204 32.295 32.500 -0.001 0.000 0.714 110 K HN 0.257 nan 8.250 nan 0.000 0.440 111 A N 0.602 123.353 122.820 -0.116 0.000 1.933 111 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 111 A C 1.251 178.934 177.584 0.165 0.000 1.175 111 A CA 1.173 53.182 52.037 -0.047 0.000 0.628 111 A CB -0.495 18.404 19.000 -0.168 0.000 0.814 111 A HN 0.403 nan 8.150 nan 0.000 0.444 112 W N -1.591 119.697 121.300 -0.020 0.000 3.177 112 W HA 0.406 5.066 4.660 -0.000 0.000 0.309 112 W C 1.397 177.905 176.519 -0.019 0.000 1.224 112 W CA -0.009 57.323 57.345 -0.023 0.000 1.718 112 W CB -1.044 28.397 29.460 -0.032 0.000 1.078 112 W HN 0.615 nan 8.180 nan 0.000 0.618 113 G N 1.330 110.234 108.800 0.172 0.000 2.225 113 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.264 113 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.264 113 G C -0.568 174.381 174.900 0.082 0.000 1.060 113 G CA 0.198 45.357 45.100 0.099 0.000 0.833 113 G HN 0.035 nan 8.290 nan 0.000 0.498 114 V N 1.332 121.296 119.914 0.083 0.000 2.709 114 V HA 0.637 4.757 4.120 -0.000 0.000 0.308 114 V C -1.873 174.197 176.094 -0.041 0.000 1.062 114 V CA -1.648 60.676 62.300 0.039 0.000 0.901 114 V CB 2.656 34.558 31.823 0.132 0.000 1.003 114 V HN 0.192 nan 8.190 nan 0.000 0.425 115 P HA 0.158 nan 4.420 nan 0.000 0.274 115 P C 0.759 177.881 177.300 -0.296 0.000 1.231 115 P CA -0.306 62.694 63.100 -0.167 0.000 0.790 115 P CB 1.361 33.014 31.700 -0.078 0.000 0.951 116 L N 4.067 125.034 121.223 -0.426 0.000 2.021 116 L HA -0.259 4.081 4.340 -0.000 0.000 0.215 116 L C 2.630 179.393 176.870 -0.179 0.000 1.074 116 L CA 2.144 56.750 54.840 -0.389 0.000 0.760 116 L CB -2.055 39.564 42.059 -0.733 0.000 0.889 116 L HN 0.479 nan 8.230 nan 0.000 0.433 117 Y N -0.608 119.718 120.300 0.044 0.000 2.193 117 Y HA -0.245 4.305 4.550 -0.000 0.000 0.285 117 Y C 2.222 178.156 175.900 0.057 0.000 1.166 117 Y CA 1.847 60.008 58.100 0.101 0.000 1.181 117 Y CB -1.178 37.371 38.460 0.149 0.000 0.976 117 Y HN 0.162 nan 8.280 nan 0.000 0.520 118 K N 0.154 120.236 120.400 -0.530 0.000 2.097 118 K HA -0.079 4.240 4.320 -0.000 0.000 0.205 118 K C 1.990 178.578 176.600 -0.020 0.000 1.050 118 K CA 1.847 57.974 56.287 -0.266 0.000 0.938 118 K CB -0.227 32.059 32.500 -0.356 0.000 0.718 118 K HN 0.470 nan 8.250 nan 0.000 0.442 119 M N 0.421 120.043 119.600 0.035 0.000 2.492 119 M HA -0.037 4.443 4.480 -0.000 0.000 0.262 119 M C 1.503 177.939 176.300 0.227 0.000 1.090 119 M CA 0.993 56.428 55.300 0.225 0.000 1.110 119 M CB 0.112 32.929 32.600 0.362 0.000 1.407 119 M HN 0.088 nan 8.290 nan 0.000 0.470 120 L N -0.708 120.565 121.223 0.084 0.000 2.592 120 L HA 0.216 4.556 4.340 -0.000 0.000 0.227 120 L C 1.061 177.959 176.870 0.047 0.000 1.127 120 L CA 0.196 55.045 54.840 0.016 0.000 0.884 120 L CB 0.079 42.090 42.059 -0.080 0.000 1.065 120 L HN 0.562 nan 8.230 nan 0.000 0.457 121 G N -0.787 108.058 108.800 0.075 0.000 2.164 121 G HA2 0.084 4.044 3.960 -0.000 0.000 0.154 121 G HA3 0.084 4.044 3.960 -0.000 0.000 0.154 121 G C 0.447 175.398 174.900 0.086 0.000 1.014 121 G CA -0.290 44.851 45.100 0.068 0.000 0.683 121 G HN 0.708 nan 8.290 nan 0.000 0.500 122 G N -0.592 108.292 108.800 0.140 0.000 2.466 122 G HA2 0.217 4.177 3.960 -0.000 0.000 0.316 122 G HA3 0.217 4.177 3.960 -0.000 0.000 0.316 122 G C -0.395 174.675 174.900 0.283 0.000 1.270 122 G CA 0.150 45.379 45.100 0.215 0.000 0.982 122 G HN 0.996 nan 8.290 nan 0.000 0.506 123 K N 0.332 120.852 120.400 0.200 0.000 2.300 123 K HA 0.600 4.920 4.320 -0.000 0.000 0.264 123 K C 0.938 177.529 176.600 -0.016 0.000 1.083 123 K CA 0.141 56.432 56.287 0.005 0.000 0.958 123 K CB 0.208 32.664 32.500 -0.072 0.000 1.318 123 K HN 0.362 nan 8.250 nan 0.000 0.448 124 S N 3.604 119.283 115.700 -0.034 0.000 2.528 124 S HA 0.031 4.501 4.470 -0.000 0.000 0.219 124 S C 0.050 174.630 174.600 -0.034 0.000 0.985 124 S CA 0.042 58.228 58.200 -0.022 0.000 0.914 124 S CB -0.041 63.150 63.200 -0.015 0.000 0.776 124 S HN 0.705 nan 8.310 nan 0.000 0.526 125 R N -0.274 120.179 120.500 -0.079 0.000 2.680 125 R HA 0.444 4.783 4.340 -0.000 0.000 0.269 125 R C -0.892 175.336 176.300 -0.120 0.000 1.026 125 R CA -0.736 55.321 56.100 -0.071 0.000 0.889 125 R CB 0.764 31.037 30.300 -0.045 0.000 1.241 125 R HN -0.219 nan 8.270 nan 0.000 0.463 126 E N 0.813 120.961 120.200 -0.086 0.000 2.400 126 E HA 0.179 4.529 4.350 -0.000 0.000 0.195 126 E C -0.389 176.146 176.600 -0.108 0.000 1.012 126 E CA 0.674 57.013 56.400 -0.102 0.000 0.875 126 E CB 0.523 30.187 29.700 -0.061 0.000 0.859 126 E HN 0.372 nan 8.360 nan 0.000 0.498 127 K N 0.481 120.831 120.400 -0.084 0.000 2.532 127 K HA 0.423 4.743 4.320 -0.000 0.000 0.265 127 K C -1.021 175.553 176.600 -0.044 0.000 0.948 127 K CA -0.688 55.563 56.287 -0.059 0.000 0.842 127 K CB 2.266 34.753 32.500 -0.022 0.000 1.392 127 K HN -0.167 nan 8.250 nan 0.000 0.436 128 I N 2.938 123.495 120.570 -0.022 0.000 2.390 128 I HA 0.266 4.436 4.170 -0.000 0.000 0.283 128 I C 0.245 176.479 176.117 0.195 0.000 1.016 128 I CA -0.550 60.761 61.300 0.018 0.000 1.151 128 I CB 1.153 39.069 38.000 -0.141 0.000 1.293 128 I HN 0.549 nan 8.210 nan 0.000 0.458 129 R N 4.524 125.215 120.500 0.317 0.000 2.623 129 R HA 0.313 4.653 4.340 -0.000 0.000 0.271 129 R C -0.648 175.862 176.300 0.350 0.000 1.043 129 R CA 0.415 56.677 56.100 0.270 0.000 1.083 129 R CB 0.653 31.094 30.300 0.235 0.000 0.974 129 R HN 0.607 nan 8.270 nan 0.000 0.436 130 T N 4.478 119.199 114.554 0.278 0.000 2.893 130 T HA 0.360 4.710 4.350 -0.000 0.000 0.291 130 T C -1.322 173.538 174.700 0.266 0.000 1.028 130 T CA -0.579 61.705 62.100 0.306 0.000 0.995 130 T CB 1.014 70.085 68.868 0.338 0.000 1.051 130 T HN 0.546 nan 8.240 nan 0.000 0.470 131 Y N -0.123 120.249 120.300 0.121 0.000 2.446 131 Y HA 0.815 5.365 4.550 -0.000 0.000 0.338 131 Y C -0.175 175.555 175.900 -0.283 0.000 1.055 131 Y CA -1.979 56.078 58.100 -0.072 0.000 1.101 131 Y CB 0.761 39.147 38.460 -0.124 0.000 1.221 131 Y HN 0.729 nan 8.280 nan 0.000 0.460 132 A N 2.753 125.309 122.820 -0.439 0.000 2.438 132 A HA 0.394 4.714 4.320 -0.000 0.000 0.280 132 A C 0.192 177.534 177.584 -0.402 0.000 1.160 132 A CA -0.144 51.298 52.037 -0.991 0.000 0.821 132 A CB -0.586 17.277 19.000 -1.895 0.000 1.101 132 A HN 0.741 nan 8.150 nan 0.000 0.515 133 S N 2.399 117.996 115.700 -0.172 0.000 2.508 133 S HA 0.438 4.908 4.470 -0.000 0.000 0.284 133 S C -0.184 174.465 174.600 0.081 0.000 1.192 133 S CA -0.268 57.935 58.200 0.005 0.000 1.070 133 S CB 0.190 63.211 63.200 -0.298 0.000 1.004 133 S HN 0.775 nan 8.310 nan 0.000 0.493 134 Q N 2.416 122.274 119.800 0.097 0.000 2.454 134 Q HA -0.136 4.204 4.340 -0.000 0.000 0.307 134 Q C 0.149 176.197 176.000 0.081 0.000 1.430 134 Q CA 0.175 56.058 55.803 0.133 0.000 0.786 134 Q CB -2.100 26.830 28.738 0.320 0.000 1.115 134 Q HN 0.709 nan 8.270 nan 0.000 0.389 135 L N 1.161 122.398 121.223 0.025 0.000 2.362 135 L HA -0.148 4.192 4.340 -0.000 0.000 0.219 135 L C 2.669 179.449 176.870 -0.151 0.000 1.134 135 L CA 2.191 57.033 54.840 0.003 0.000 0.807 135 L CB -0.180 41.860 42.059 -0.032 0.000 0.927 135 L HN 0.482 nan 8.230 nan 0.000 0.447 136 Q N -1.486 118.168 119.800 -0.243 0.000 2.439 136 Q HA -0.184 4.156 4.340 -0.000 0.000 0.211 136 Q C 0.954 176.702 176.000 -0.420 0.000 0.978 136 Q CA 1.481 57.029 55.803 -0.426 0.000 0.897 136 Q CB -0.455 28.182 28.738 -0.168 0.000 0.956 136 Q HN 0.409 nan 8.270 nan 0.000 0.483 137 F N 0.773 120.686 119.950 -0.062 0.000 2.639 137 F HA 0.511 5.037 4.527 -0.000 0.000 0.302 137 F C 1.358 177.126 175.800 -0.052 0.000 1.097 137 F CA 0.024 57.974 58.000 -0.082 0.000 1.294 137 F CB 0.276 39.221 39.000 -0.091 0.000 1.027 137 F HN 0.229 nan 8.300 nan 0.000 0.550 138 G N -0.232 108.616 108.800 0.080 0.000 2.757 138 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.638 138 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.638 138 G C -1.207 173.832 174.900 0.231 0.000 1.344 138 G CA -0.674 44.477 45.100 0.085 0.000 0.855 138 G HN 0.259 nan 8.290 nan 0.000 0.537 139 W N 0.082 121.358 121.300 -0.041 0.000 3.213 139 W HA 0.558 5.217 4.660 -0.000 0.000 0.318 139 W C 0.541 177.048 176.519 -0.021 0.000 1.248 139 W CA 0.908 58.231 57.345 -0.036 0.000 1.187 139 W CB 1.636 31.065 29.460 -0.051 0.000 1.403 139 W HN 2.577 nan 8.180 nan 0.000 0.556 140 G N 2.692 111.346 108.800 -0.242 0.000 2.655 140 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.680 140 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.680 140 G C -1.250 173.554 174.900 -0.161 0.000 1.302 140 G CA -0.682 44.358 45.100 -0.100 0.000 0.872 140 G HN 0.367 nan 8.290 nan 0.000 0.540 141 D N 0.024 120.366 120.400 -0.097 0.000 2.329 141 D HA 0.529 5.169 4.640 -0.000 0.000 0.246 141 D C 1.453 177.713 176.300 -0.067 0.000 1.111 141 D CA 1.409 55.352 54.000 -0.095 0.000 0.941 141 D CB 0.807 41.566 40.800 -0.069 0.000 1.169 141 D HN 1.948 nan 8.370 nan 0.000 0.441 142 G N 0.225 108.985 108.800 -0.068 0.000 2.189 142 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.267 142 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.267 142 G C 0.773 175.642 174.900 -0.052 0.000 0.975 142 G CA 0.855 45.924 45.100 -0.051 0.000 0.644 142 G HN 0.714 nan 8.290 nan 0.000 0.537 143 S N -0.242 115.415 115.700 -0.071 0.000 2.575 143 S HA 0.333 4.803 4.470 -0.000 0.000 0.237 143 S C 1.269 175.821 174.600 -0.079 0.000 0.975 143 S CA 0.955 59.119 58.200 -0.059 0.000 0.960 143 S CB 0.740 63.910 63.200 -0.050 0.000 0.822 143 S HN 0.361 nan 8.310 nan 0.000 0.472 144 D N 3.905 124.247 120.400 -0.096 0.000 2.269 144 D HA -0.317 4.323 4.640 -0.000 0.000 0.191 144 D C 1.749 177.989 176.300 -0.100 0.000 1.007 144 D CA 2.622 56.558 54.000 -0.107 0.000 0.855 144 D CB -0.263 40.477 40.800 -0.101 0.000 0.979 144 D HN 0.658 nan 8.370 nan 0.000 0.452 145 K N 0.213 120.566 120.400 -0.079 0.000 2.026 145 K HA -0.069 4.251 4.320 -0.000 0.000 0.208 145 K C 0.474 177.041 176.600 -0.055 0.000 1.048 145 K CA 1.078 57.318 56.287 -0.079 0.000 0.929 145 K CB -0.838 31.627 32.500 -0.059 0.000 0.713 145 K HN 0.095 nan 8.250 nan 0.000 0.439 146 D N 1.240 121.633 120.400 -0.013 0.000 3.277 146 D HA -0.142 4.498 4.640 -0.000 0.000 0.203 146 D C -0.274 176.083 176.300 0.094 0.000 1.057 146 D CA 1.086 55.103 54.000 0.029 0.000 0.751 146 D CB 0.174 40.987 40.800 0.022 0.000 1.155 146 D HN 0.181 nan 8.370 nan 0.000 0.536 147 M N 3.273 122.929 119.600 0.093 0.000 2.016 147 M HA 0.234 4.714 4.480 -0.000 0.000 0.315 147 M C -0.601 175.765 176.300 0.110 0.000 0.930 147 M CA -0.469 54.923 55.300 0.155 0.000 0.899 147 M CB 0.398 33.097 32.600 0.166 0.000 1.401 147 M HN 0.137 nan 8.290 nan 0.000 0.386 148 L N 2.512 123.750 121.223 0.026 0.000 2.397 148 L HA 0.329 4.669 4.340 -0.000 0.000 0.271 148 L C 1.467 178.457 176.870 0.199 0.000 1.148 148 L CA -0.019 54.793 54.840 -0.047 0.000 0.825 148 L CB 0.789 42.559 42.059 -0.482 0.000 1.117 148 L HN 0.721 nan 8.230 nan 0.000 0.456 149 T N -2.615 112.094 114.554 0.258 0.000 3.075 149 T HA 0.158 4.508 4.350 -0.000 0.000 0.251 149 T C 0.524 175.388 174.700 0.275 0.000 0.979 149 T CA -0.398 61.871 62.100 0.283 0.000 1.033 149 T CB 0.388 69.351 68.868 0.158 0.000 1.104 149 T HN 0.376 nan 8.240 nan 0.000 0.473 150 E N 2.509 122.854 120.200 0.242 0.000 2.266 150 E HA 0.321 4.671 4.350 -0.000 0.000 0.277 150 E C -1.989 174.746 176.600 0.224 0.000 1.018 150 E CA -2.759 53.740 56.400 0.164 0.000 0.840 150 E CB 1.363 31.131 29.700 0.113 0.000 1.082 150 E HN 0.039 nan 8.360 nan 0.000 0.395 151 P HA -0.298 nan 4.420 nan 0.000 0.219 151 P C 1.236 178.609 177.300 0.121 0.000 1.158 151 P CA 2.130 65.258 63.100 0.047 0.000 0.895 151 P CB 0.236 31.928 31.700 -0.014 0.000 0.792 152 E N -0.282 119.975 120.200 0.095 0.000 2.153 152 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 152 E C 1.985 178.645 176.600 0.100 0.000 0.988 152 E CA 0.982 57.431 56.400 0.081 0.000 0.811 152 E CB -0.984 28.748 29.700 0.054 0.000 0.746 152 E HN 0.307 nan 8.360 nan 0.000 0.466 153 Q N -0.162 119.715 119.800 0.129 0.000 2.124 153 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 153 Q C 1.775 177.813 176.000 0.064 0.000 0.977 153 Q CA 1.715 57.570 55.803 0.087 0.000 0.850 153 Q CB -0.274 28.506 28.738 0.070 0.000 0.901 153 Q HN 0.463 nan 8.270 nan 0.000 0.429 154 Y N 0.160 120.471 120.300 0.019 0.000 2.181 154 Y HA -0.243 4.307 4.550 -0.000 0.000 0.288 154 Y C 2.482 178.379 175.900 -0.004 0.000 1.146 154 Y CA 0.949 59.054 58.100 0.009 0.000 1.164 154 Y CB -0.241 38.219 38.460 -0.001 0.000 0.982 154 Y HN 0.157 nan 8.280 nan 0.000 0.515 155 A N -0.398 122.509 122.820 0.144 0.000 1.902 155 A HA -0.266 4.054 4.320 -0.000 0.000 0.217 155 A C 2.070 179.677 177.584 0.039 0.000 1.181 155 A CA 1.809 53.884 52.037 0.064 0.000 0.623 155 A CB -0.704 18.320 19.000 0.040 0.000 0.818 155 A HN 0.391 nan 8.150 nan 0.000 0.443 156 Q N 0.080 119.906 119.800 0.044 0.000 2.061 156 Q HA -0.102 4.238 4.340 -0.000 0.000 0.204 156 Q C 2.118 178.140 176.000 0.037 0.000 0.984 156 Q CA 2.401 58.225 55.803 0.035 0.000 0.846 156 Q CB -0.785 27.974 28.738 0.036 0.000 0.902 156 Q HN 0.558 nan 8.270 nan 0.000 0.421 157 A N 0.160 122.997 122.820 0.029 0.000 1.940 157 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 157 A C 2.274 179.870 177.584 0.020 0.000 1.176 157 A CA 2.110 54.176 52.037 0.048 0.000 0.631 157 A CB -1.136 17.866 19.000 0.003 0.000 0.814 157 A HN 0.506 nan 8.150 nan 0.000 0.446 158 A N -0.314 122.497 122.820 -0.015 0.000 1.877 158 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 158 A C 2.169 179.721 177.584 -0.053 0.000 1.186 158 A CA 1.481 53.480 52.037 -0.063 0.000 0.620 158 A CB -0.601 18.374 19.000 -0.042 0.000 0.822 158 A HN 0.471 nan 8.150 nan 0.000 0.443 159 L N -0.659 120.556 121.223 -0.013 0.000 2.083 159 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 159 L C 2.786 179.670 176.870 0.023 0.000 1.083 159 L CA 1.701 56.541 54.840 0.000 0.000 0.752 159 L CB -0.808 41.257 42.059 0.010 0.000 0.899 159 L HN 0.372 nan 8.230 nan 0.000 0.433 160 T N -0.130 114.457 114.554 0.055 0.000 2.708 160 T HA -0.193 4.157 4.350 -0.000 0.000 0.266 160 T C 2.022 176.815 174.700 0.156 0.000 1.037 160 T CA 1.373 63.547 62.100 0.124 0.000 1.146 160 T CB -0.266 68.715 68.868 0.187 0.000 0.865 160 T HN 0.458 nan 8.240 nan 0.000 0.435 161 A N 1.025 123.856 122.820 0.017 0.000 1.908 161 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 161 A C 2.599 180.213 177.584 0.050 0.000 1.181 161 A CA 1.495 53.420 52.037 -0.187 0.000 0.627 161 A CB -1.127 17.403 19.000 -0.784 0.000 0.818 161 A HN 0.352 nan 8.150 nan 0.000 0.445 162 V N 1.007 120.916 119.914 -0.008 0.000 2.332 162 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 162 V C 2.990 179.092 176.094 0.013 0.000 1.055 162 V CA 2.448 64.747 62.300 -0.001 0.000 1.038 162 V CB -0.941 30.866 31.823 -0.027 0.000 0.651 162 V HN 0.845 nan 8.190 nan 0.000 0.450 163 S N 0.053 115.775 115.700 0.037 0.000 2.447 163 S HA -0.174 4.296 4.470 -0.000 0.000 0.233 163 S C 1.531 176.154 174.600 0.039 0.000 1.006 163 S CA 1.332 59.552 58.200 0.033 0.000 0.957 163 S CB -0.466 62.761 63.200 0.046 0.000 0.773 163 S HN 0.767 nan 8.310 nan 0.000 0.507 164 E N 0.785 121.042 120.200 0.095 0.000 2.476 164 E HA 0.282 4.632 4.350 -0.000 0.000 0.191 164 E C 1.125 177.626 176.600 -0.166 0.000 1.064 164 E CA 0.178 56.624 56.400 0.076 0.000 0.866 164 E CB -0.167 29.735 29.700 0.337 0.000 0.952 164 E HN 0.733 nan 8.360 nan 0.000 0.492 165 G N 1.026 109.723 108.800 -0.172 0.000 2.157 165 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.239 165 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.239 165 G C -0.318 174.345 174.900 -0.396 0.000 0.982 165 G CA -0.407 44.526 45.100 -0.279 0.000 0.650 165 G HN 0.231 nan 8.290 nan 0.000 0.527 166 Y N 1.667 121.915 120.300 -0.086 0.000 2.359 166 Y HA 0.417 4.967 4.550 -0.000 0.000 0.334 166 Y C 1.203 177.027 175.900 -0.127 0.000 1.058 166 Y CA -0.310 57.717 58.100 -0.122 0.000 1.244 166 Y CB 1.014 39.347 38.460 -0.211 0.000 1.187 166 Y HN 0.239 nan 8.280 nan 0.000 0.510 167 D N 0.655 121.055 120.400 0.001 0.000 2.388 167 D HA 0.400 5.040 4.640 -0.000 0.000 0.221 167 D C -0.265 175.966 176.300 -0.115 0.000 1.133 167 D CA -0.093 53.871 54.000 -0.061 0.000 0.831 167 D CB 0.095 40.851 40.800 -0.073 0.000 0.962 167 D HN 0.404 nan 8.370 nan 0.000 0.502 168 A N 0.157 122.924 122.820 -0.087 0.000 2.566 168 A HA 0.647 4.967 4.320 -0.000 0.000 0.297 168 A C -1.209 176.289 177.584 -0.144 0.000 1.059 168 A CA -0.999 50.930 52.037 -0.180 0.000 0.691 168 A CB 1.078 19.953 19.000 -0.207 0.000 1.282 168 A HN 0.301 nan 8.150 nan 0.000 0.401 169 I N -1.356 119.074 120.570 -0.232 0.000 3.074 169 I HA 0.879 5.049 4.170 -0.000 0.000 0.310 169 I C -0.742 175.194 176.117 -0.301 0.000 1.153 169 I CA -0.819 60.341 61.300 -0.235 0.000 0.993 169 I CB 2.210 40.068 38.000 -0.237 0.000 1.237 169 I HN 0.644 nan 8.210 nan 0.000 0.443 170 K N 2.599 122.867 120.400 -0.220 0.000 2.422 170 K HA 0.877 5.197 4.320 -0.000 0.000 0.251 170 K C -2.099 174.457 176.600 -0.073 0.000 0.933 170 K CA -0.902 55.248 56.287 -0.229 0.000 0.798 170 K CB 2.542 34.874 32.500 -0.280 0.000 1.238 170 K HN 0.746 nan 8.250 nan 0.000 0.428 171 V N 2.598 122.495 119.914 -0.029 0.000 2.891 171 V HA 0.307 4.427 4.120 -0.000 0.000 0.304 171 V C -2.010 174.150 176.094 0.109 0.000 1.171 171 V CA -0.707 61.632 62.300 0.063 0.000 0.943 171 V CB 2.023 33.915 31.823 0.115 0.000 1.037 171 V HN 0.949 nan 8.190 nan 0.000 0.427 172 D N 3.738 124.244 120.400 0.176 0.000 2.373 172 D HA 0.332 4.972 4.640 -0.000 0.000 0.227 172 D C 0.970 177.414 176.300 0.240 0.000 1.091 172 D CA 0.401 54.532 54.000 0.218 0.000 0.840 172 D CB 1.942 42.981 40.800 0.398 0.000 1.060 172 D HN 0.805 nan 8.370 nan 0.000 0.502 173 T N 0.103 114.731 114.554 0.124 0.000 3.086 173 T HA 0.094 4.444 4.350 -0.000 0.000 0.250 173 T C 1.403 176.042 174.700 -0.102 0.000 1.074 173 T CA 0.031 62.123 62.100 -0.012 0.000 0.988 173 T CB 0.328 69.132 68.868 -0.106 0.000 0.988 173 T HN 0.156 nan 8.240 nan 0.000 0.530 174 V N 0.674 120.509 119.914 -0.131 0.000 3.048 174 V HA 0.382 4.502 4.120 -0.000 0.000 0.241 174 V C 2.938 178.938 176.094 -0.156 0.000 1.129 174 V CA 0.812 62.967 62.300 -0.241 0.000 1.128 174 V CB -0.447 31.086 31.823 -0.484 0.000 0.849 174 V HN 0.555 nan 8.190 nan 0.000 0.475 175 A N -0.449 122.287 122.820 -0.140 0.000 2.067 175 A HA 0.017 4.337 4.320 -0.000 0.000 0.219 175 A C 1.348 178.714 177.584 -0.363 0.000 1.158 175 A CA 0.964 52.763 52.037 -0.396 0.000 0.661 175 A CB -0.361 18.171 19.000 -0.780 0.000 0.801 175 A HN 0.433 nan 8.150 nan 0.000 0.452 176 M N 2.071 121.677 119.600 0.010 0.000 2.108 176 M HA 0.273 4.753 4.480 -0.000 0.000 0.354 176 M C -0.162 176.179 176.300 0.068 0.000 1.229 176 M CA -0.962 54.458 55.300 0.200 0.000 1.081 176 M CB 0.607 33.450 32.600 0.405 0.000 1.606 176 M HN 0.446 nan 8.290 nan 0.000 0.467 177 D N 3.626 124.047 120.400 0.035 0.000 2.380 177 D HA 0.054 4.694 4.640 -0.000 0.000 0.254 177 D C 0.478 176.750 176.300 -0.047 0.000 1.288 177 D CA -0.069 53.916 54.000 -0.027 0.000 1.008 177 D CB 0.466 41.246 40.800 -0.032 0.000 1.099 177 D HN 0.677 nan 8.370 nan 0.000 0.537 178 R N -1.400 118.978 120.500 -0.203 0.000 2.237 178 R HA -0.002 4.338 4.340 -0.000 0.000 0.219 178 R C 1.171 177.349 176.300 -0.204 0.000 1.080 178 R CA 1.281 57.232 56.100 -0.248 0.000 0.995 178 R CB -0.833 29.259 30.300 -0.347 0.000 0.875 178 R HN 0.572 nan 8.270 nan 0.000 0.462 179 H N -0.790 118.322 119.070 0.070 0.000 2.549 179 H HA 0.330 4.886 4.556 -0.000 0.000 0.279 179 H C 0.728 176.109 175.328 0.088 0.000 1.018 179 H CA -0.034 56.055 56.048 0.068 0.000 1.175 179 H CB 1.111 30.903 29.762 0.051 0.000 1.485 179 H HN 0.394 nan 8.280 nan 0.000 0.543 180 G N 1.200 110.113 108.800 0.188 0.000 2.137 180 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.237 180 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.237 180 G C -0.487 174.545 174.900 0.220 0.000 1.002 180 G CA -0.361 44.860 45.100 0.202 0.000 0.702 180 G HN 0.349 nan 8.290 nan 0.000 0.515 181 N N -0.009 118.812 118.700 0.203 0.000 2.479 181 N HA 0.321 5.060 4.740 -0.000 0.000 0.285 181 N C -0.441 175.211 175.510 0.236 0.000 1.075 181 N CA -0.241 52.926 53.050 0.195 0.000 0.967 181 N CB 1.290 39.855 38.487 0.129 0.000 1.137 181 N HN 0.406 nan 8.380 nan 0.000 0.472 182 W N 2.917 124.247 121.300 0.049 0.000 2.314 182 W HA 0.101 4.761 4.660 -0.000 0.000 0.310 182 W C 0.173 176.650 176.519 -0.068 0.000 1.075 182 W CA -0.399 56.975 57.345 0.047 0.000 1.253 182 W CB 0.221 29.754 29.460 0.121 0.000 1.238 182 W HN 0.654 nan 8.180 nan 0.000 0.440 183 N N 3.505 121.752 118.700 -0.755 0.000 2.725 183 N HA -0.276 4.464 4.740 -0.000 0.000 0.251 183 N C 0.016 175.258 175.510 -0.446 0.000 1.031 183 N CA 1.421 53.941 53.050 -0.883 0.000 0.720 183 N CB -1.025 36.556 38.487 -1.510 0.000 0.930 183 N HN 0.719 nan 8.380 nan 0.000 0.543 184 Q N -1.001 118.647 119.800 -0.253 0.000 2.171 184 Q HA 0.140 4.480 4.340 -0.000 0.000 0.218 184 Q C -0.283 175.651 176.000 -0.111 0.000 0.822 184 Q CA -0.085 55.635 55.803 -0.139 0.000 0.987 184 Q CB 0.500 29.206 28.738 -0.052 0.000 1.144 184 Q HN 0.628 nan 8.270 nan 0.000 0.494 185 Q N 0.687 120.403 119.800 -0.140 0.000 2.227 185 Q HA 0.272 4.612 4.340 -0.000 0.000 0.245 185 Q C -0.459 175.477 176.000 -0.107 0.000 0.926 185 Q CA -0.741 55.002 55.803 -0.100 0.000 0.895 185 Q CB 0.676 29.359 28.738 -0.090 0.000 1.230 185 Q HN -0.118 nan 8.270 nan 0.000 0.450 186 N N 1.905 120.564 118.700 -0.068 0.000 2.399 186 N HA 0.069 4.809 4.740 -0.000 0.000 0.259 186 N C -0.637 174.847 175.510 -0.044 0.000 1.160 186 N CA 0.090 53.107 53.050 -0.054 0.000 0.946 186 N CB 0.313 38.780 38.487 -0.032 0.000 1.156 186 N HN 0.627 nan 8.380 nan 0.000 0.489 187 L N 2.118 123.315 121.223 -0.044 0.000 2.791 187 L HA 0.285 4.625 4.340 -0.000 0.000 0.239 187 L C 0.022 176.894 176.870 0.004 0.000 1.203 187 L CA -0.279 54.547 54.840 -0.024 0.000 1.002 187 L CB -0.419 41.624 42.059 -0.027 0.000 1.295 187 L HN 0.439 nan 8.230 nan 0.000 0.504 188 N N 1.115 119.817 118.700 0.003 0.000 2.473 188 N HA 0.553 5.293 4.740 -0.000 0.000 0.291 188 N C 0.516 176.034 175.510 0.014 0.000 1.083 188 N CA 0.539 53.597 53.050 0.014 0.000 0.951 188 N CB 2.034 40.529 38.487 0.013 0.000 1.164 188 N HN 0.214 nan 8.380 nan 0.000 0.480 189 G N 1.657 110.469 108.800 0.021 0.000 2.698 189 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.225 189 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.225 189 G C -3.010 171.904 174.900 0.023 0.000 1.345 189 G CA -1.022 44.089 45.100 0.020 0.000 0.871 189 G HN 0.452 nan 8.290 nan 0.000 0.540 190 P HA 0.512 nan 4.420 nan 0.000 0.275 190 P C -0.137 177.174 177.300 0.019 0.000 1.227 190 P CA -0.009 63.105 63.100 0.022 0.000 0.781 190 P CB 0.737 32.447 31.700 0.017 0.000 0.906 191 L N 1.922 123.158 121.223 0.023 0.000 2.342 191 L HA 0.385 4.725 4.340 -0.000 0.000 0.271 191 L C 0.666 177.545 176.870 0.015 0.000 1.008 191 L CA -0.817 54.034 54.840 0.017 0.000 0.818 191 L CB 1.835 43.907 42.059 0.021 0.000 1.296 191 L HN 0.241 nan 8.230 nan 0.000 0.427 192 T N -0.134 114.426 114.554 0.009 0.000 2.940 192 T HA -0.078 4.272 4.350 -0.000 0.000 0.309 192 T C 0.876 175.583 174.700 0.011 0.000 1.056 192 T CA -0.023 62.081 62.100 0.008 0.000 1.137 192 T CB 0.954 69.825 68.868 0.005 0.000 0.976 192 T HN 0.724 nan 8.240 nan 0.000 0.547 193 D N 2.141 122.546 120.400 0.009 0.000 2.149 193 D HA -0.201 4.439 4.640 -0.000 0.000 0.194 193 D C 2.022 178.333 176.300 0.018 0.000 1.001 193 D CA 1.726 55.732 54.000 0.011 0.000 0.849 193 D CB 0.025 40.824 40.800 -0.002 0.000 0.939 193 D HN 0.744 nan 8.370 nan 0.000 0.449 194 K N 0.208 120.615 120.400 0.011 0.000 2.147 194 K HA -0.124 4.196 4.320 -0.000 0.000 0.205 194 K C 2.264 178.868 176.600 0.007 0.000 1.049 194 K CA 1.325 57.619 56.287 0.011 0.000 0.936 194 K CB -0.459 32.043 32.500 0.004 0.000 0.722 194 K HN 0.277 nan 8.250 nan 0.000 0.446 195 I N 1.388 121.959 120.570 0.002 0.000 2.286 195 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 195 I C 2.199 178.307 176.117 -0.014 0.000 1.115 195 I CA 1.289 62.581 61.300 -0.015 0.000 1.392 195 I CB -0.212 37.777 38.000 -0.018 0.000 1.065 195 I HN 0.149 nan 8.210 nan 0.000 0.418 196 L N -0.237 121.004 121.223 0.031 0.000 2.477 196 L HA 0.032 4.372 4.340 -0.000 0.000 0.220 196 L C 2.511 179.492 176.870 0.186 0.000 1.106 196 L CA 0.125 55.023 54.840 0.097 0.000 0.851 196 L CB -0.266 41.911 42.059 0.197 0.000 0.994 196 L HN 0.130 nan 8.230 nan 0.000 0.462 197 R N 1.060 121.633 120.500 0.121 0.000 2.092 197 R HA -0.170 4.170 4.340 -0.000 0.000 0.231 197 R C 2.110 178.502 176.300 0.155 0.000 1.119 197 R CA 1.338 57.524 56.100 0.143 0.000 0.970 197 R CB -0.505 29.836 30.300 0.070 0.000 0.864 197 R HN 0.178 nan 8.270 nan 0.000 0.440 198 L N 0.124 121.389 121.223 0.070 0.000 1.989 198 L HA 0.040 4.380 4.340 -0.000 0.000 0.211 198 L C 2.122 178.983 176.870 -0.014 0.000 1.071 198 L CA 2.511 57.357 54.840 0.010 0.000 0.749 198 L CB -1.309 40.730 42.059 -0.034 0.000 0.890 198 L HN 0.310 nan 8.230 nan 0.000 0.431 199 G N -1.884 106.924 108.800 0.012 0.000 2.442 199 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.219 199 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.219 199 G C 1.595 176.636 174.900 0.235 0.000 1.141 199 G CA 1.024 46.144 45.100 0.034 0.000 0.763 199 G HN 0.566 nan 8.290 nan 0.000 0.554 200 Y N 1.800 122.248 120.300 0.246 0.000 2.145 200 Y HA -0.115 4.435 4.550 -0.000 0.000 0.286 200 Y C 2.414 178.320 175.900 0.010 0.000 1.145 200 Y CA 2.009 60.177 58.100 0.113 0.000 1.148 200 Y CB -0.110 38.380 38.460 0.050 0.000 0.981 200 Y HN 0.175 nan 8.280 nan 0.000 0.507 201 D N -0.048 120.341 120.400 -0.019 0.000 2.117 201 D HA -0.151 4.488 4.640 -0.000 0.000 0.197 201 D C 2.262 178.438 176.300 -0.207 0.000 0.987 201 D CA 1.443 55.370 54.000 -0.121 0.000 0.829 201 D CB -0.281 40.524 40.800 0.009 0.000 0.961 201 D HN 0.375 nan 8.370 nan 0.000 0.460 202 R N -0.225 120.141 120.500 -0.223 0.000 2.083 202 R HA -0.126 4.214 4.340 -0.000 0.000 0.237 202 R C 2.250 178.400 176.300 -0.251 0.000 1.137 202 R CA 1.348 57.246 56.100 -0.337 0.000 0.951 202 R CB -0.287 29.576 30.300 -0.728 0.000 0.851 202 R HN 0.134 nan 8.270 nan 0.000 0.434 203 M N 0.125 119.584 119.600 -0.235 0.000 2.175 203 M HA -0.028 4.452 4.480 -0.000 0.000 0.264 203 M C 2.068 178.212 176.300 -0.260 0.000 1.063 203 M CA 1.712 56.899 55.300 -0.189 0.000 1.119 203 M CB -0.042 32.477 32.600 -0.135 0.000 1.377 203 M HN 0.183 nan 8.290 nan 0.000 0.415 204 A N -0.423 122.132 122.820 -0.442 0.000 1.969 204 A HA 0.101 4.421 4.320 -0.000 0.000 0.218 204 A C 2.305 179.764 177.584 -0.208 0.000 1.169 204 A CA 1.598 53.392 52.037 -0.404 0.000 0.635 204 A CB -1.233 17.385 19.000 -0.637 0.000 0.810 204 A HN 0.588 nan 8.150 nan 0.000 0.445 205 A N 0.246 122.964 122.820 -0.170 0.000 1.902 205 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 205 A C 2.101 179.654 177.584 -0.051 0.000 1.181 205 A CA 1.535 53.523 52.037 -0.082 0.000 0.623 205 A CB -0.588 18.383 19.000 -0.049 0.000 0.818 205 A HN 0.508 nan 8.150 nan 0.000 0.443 206 I N -1.095 119.444 120.570 -0.052 0.000 2.142 206 I HA -0.257 3.913 4.170 -0.000 0.000 0.240 206 I C 2.676 178.759 176.117 -0.057 0.000 1.078 206 I CA 1.779 63.060 61.300 -0.032 0.000 1.343 206 I CB -0.370 37.620 38.000 -0.017 0.000 1.046 206 I HN 0.308 nan 8.210 nan 0.000 0.405 207 R N 1.672 122.122 120.500 -0.083 0.000 2.096 207 R HA -0.222 4.118 4.340 -0.000 0.000 0.240 207 R C 1.774 178.037 176.300 -0.062 0.000 1.139 207 R CA 2.062 58.114 56.100 -0.080 0.000 0.952 207 R CB -0.844 29.399 30.300 -0.095 0.000 0.854 207 R HN 0.313 nan 8.270 nan 0.000 0.436 208 D N -0.186 120.176 120.400 -0.062 0.000 2.144 208 D HA -0.105 4.534 4.640 -0.000 0.000 0.199 208 D C 1.646 177.927 176.300 -0.033 0.000 0.984 208 D CA 1.697 55.671 54.000 -0.044 0.000 0.834 208 D CB -0.299 40.476 40.800 -0.041 0.000 0.955 208 D HN 0.423 nan 8.370 nan 0.000 0.465 209 A N 0.619 123.420 122.820 -0.031 0.000 1.872 209 A HA -0.098 4.222 4.320 -0.000 0.000 0.214 209 A C 2.410 179.977 177.584 -0.027 0.000 1.187 209 A CA 1.838 53.862 52.037 -0.022 0.000 0.614 209 A CB -0.612 18.381 19.000 -0.013 0.000 0.826 209 A HN 0.223 nan 8.150 nan 0.000 0.442 210 V N -3.390 116.501 119.914 -0.038 0.000 3.052 210 V HA 0.487 4.607 4.120 -0.000 0.000 0.254 210 V C 1.317 177.384 176.094 -0.045 0.000 1.100 210 V CA 0.561 62.834 62.300 -0.045 0.000 1.112 210 V CB -1.475 30.311 31.823 -0.061 0.000 0.738 210 V HN 1.763 nan 8.190 nan 0.000 0.469 211 G N 1.112 109.887 108.800 -0.043 0.000 2.760 211 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.246 211 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.246 211 G C -1.348 173.525 174.900 -0.046 0.000 1.359 211 G CA -0.064 45.012 45.100 -0.039 0.000 0.861 211 G HN 0.368 nan 8.290 nan 0.000 0.541 212 P HA 0.137 nan 4.420 nan 0.000 0.231 212 P C 0.530 177.804 177.300 -0.044 0.000 1.168 212 P CA 1.389 64.467 63.100 -0.037 0.000 0.779 212 P CB 0.172 31.857 31.700 -0.025 0.000 0.844 213 D N -0.459 119.912 120.400 -0.049 0.000 2.340 213 D HA 0.096 4.736 4.640 -0.000 0.000 0.217 213 D C 0.137 176.387 176.300 -0.084 0.000 1.081 213 D CA 0.168 54.134 54.000 -0.056 0.000 0.842 213 D CB 0.600 41.374 40.800 -0.043 0.000 0.934 213 D HN 0.047 nan 8.370 nan 0.000 0.511 214 V N 1.800 121.656 119.914 -0.098 0.000 2.384 214 V HA 0.139 4.259 4.120 -0.000 0.000 0.287 214 V C 0.117 176.100 176.094 -0.185 0.000 1.020 214 V CA -0.947 61.273 62.300 -0.133 0.000 0.850 214 V CB 2.260 34.019 31.823 -0.108 0.000 0.987 214 V HN -0.079 nan 8.190 nan 0.000 0.436 215 D N 4.539 124.761 120.400 -0.296 0.000 2.345 215 D HA 0.434 5.074 4.640 -0.000 0.000 0.247 215 D C -0.347 175.747 176.300 -0.344 0.000 1.108 215 D CA 0.255 53.999 54.000 -0.427 0.000 0.894 215 D CB 2.076 42.267 40.800 -1.015 0.000 1.203 215 D HN 0.324 nan 8.370 nan 0.000 0.430 216 I N 2.732 123.157 120.570 -0.241 0.000 2.418 216 I HA 0.292 4.462 4.170 -0.000 0.000 0.287 216 I C -0.075 175.923 176.117 -0.198 0.000 1.008 216 I CA -0.633 60.545 61.300 -0.204 0.000 1.104 216 I CB 1.604 39.525 38.000 -0.131 0.000 1.264 216 I HN 0.078 nan 8.210 nan 0.000 0.438 217 I N 5.647 126.032 120.570 -0.310 0.000 2.336 217 I HA 0.464 4.634 4.170 -0.000 0.000 0.292 217 I C 0.408 176.431 176.117 -0.156 0.000 0.991 217 I CA -0.416 60.672 61.300 -0.354 0.000 1.227 217 I CB 1.652 39.227 38.000 -0.709 0.000 1.366 217 I HN 0.583 nan 8.210 nan 0.000 0.466 218 A N 5.490 128.308 122.820 -0.004 0.000 2.269 218 A HA 0.480 4.800 4.320 -0.000 0.000 0.302 218 A C -0.271 177.417 177.584 0.172 0.000 1.266 218 A CA -0.352 51.775 52.037 0.150 0.000 0.894 218 A CB 0.437 19.602 19.000 0.274 0.000 1.147 218 A HN 0.723 nan 8.150 nan 0.000 0.537 219 E N 2.756 122.998 120.200 0.071 0.000 2.191 219 E HA 0.539 4.889 4.350 -0.000 0.000 0.278 219 E C 0.089 176.641 176.600 -0.080 0.000 0.972 219 E CA -0.457 55.903 56.400 -0.067 0.000 0.804 219 E CB 0.785 30.387 29.700 -0.162 0.000 1.110 219 E HN 0.469 nan 8.360 nan 0.000 0.394 220 M N 2.120 121.605 119.600 -0.192 0.000 2.304 220 M HA 0.146 4.626 4.480 -0.000 0.000 0.281 220 M C -0.114 176.015 176.300 -0.285 0.000 1.014 220 M CA 0.155 55.364 55.300 -0.153 0.000 1.054 220 M CB -1.080 31.427 32.600 -0.155 0.000 1.551 220 M HN 0.844 nan 8.290 nan 0.000 0.548 221 H N 0.848 119.685 119.070 -0.389 0.000 2.921 221 H HA -0.169 4.387 4.556 -0.000 0.000 0.281 221 H C 0.919 175.883 175.328 -0.606 0.000 1.165 221 H CA 0.703 56.360 56.048 -0.652 0.000 1.151 221 H CB -1.774 27.108 29.762 -1.466 0.000 1.311 221 H HN 0.574 nan 8.280 nan 0.000 0.361 222 A N -1.186 121.491 122.820 -0.238 0.000 2.771 222 A HA -0.294 4.025 4.320 -0.000 0.000 0.294 222 A C 1.252 178.873 177.584 0.062 0.000 1.500 222 A CA 1.506 53.489 52.037 -0.090 0.000 0.829 222 A CB -2.154 16.816 19.000 -0.050 0.000 0.998 222 A HN 0.455 nan 8.150 nan 0.000 0.526 223 F N 0.566 120.524 119.950 0.013 0.000 2.416 223 F HA 0.068 4.595 4.527 -0.000 0.000 0.296 223 F C 1.984 177.756 175.800 -0.046 0.000 1.099 223 F CA 1.201 59.180 58.000 -0.034 0.000 1.427 223 F CB -0.940 38.002 39.000 -0.097 0.000 1.079 223 F HN 0.504 nan 8.300 nan 0.000 0.536 224 T N -0.706 113.926 114.554 0.131 0.000 2.849 224 T HA 0.381 4.731 4.350 -0.000 0.000 0.284 224 T C -0.112 174.621 174.700 0.054 0.000 1.004 224 T CA -0.827 61.314 62.100 0.068 0.000 1.021 224 T CB 1.668 70.568 68.868 0.055 0.000 1.013 224 T HN 0.093 nan 8.240 nan 0.000 0.527 225 D N -0.558 119.870 120.400 0.048 0.000 2.588 225 D HA 0.286 4.926 4.640 -0.000 0.000 0.268 225 D C 1.244 177.570 176.300 0.045 0.000 1.176 225 D CA -0.758 53.266 54.000 0.040 0.000 1.080 225 D CB -0.202 40.618 40.800 0.035 0.000 1.186 225 D HN 0.398 nan 8.370 nan 0.000 0.619 226 T N -0.441 114.137 114.554 0.040 0.000 2.653 226 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 226 T C 1.751 176.488 174.700 0.061 0.000 1.035 226 T CA 2.642 64.771 62.100 0.047 0.000 1.154 226 T CB -0.674 68.216 68.868 0.037 0.000 0.862 226 T HN 0.547 nan 8.240 nan 0.000 0.441 227 T N 2.092 116.677 114.554 0.052 0.000 2.737 227 T HA -0.099 4.251 4.350 -0.000 0.000 0.265 227 T C 2.542 177.286 174.700 0.073 0.000 1.038 227 T CA 1.601 63.733 62.100 0.053 0.000 1.144 227 T CB -0.455 68.436 68.868 0.038 0.000 0.866 227 T HN 0.623 nan 8.240 nan 0.000 0.434 228 S N 1.959 117.705 115.700 0.076 0.000 2.406 228 S HA 0.132 4.602 4.470 -0.000 0.000 0.228 228 S C 2.444 177.142 174.600 0.163 0.000 1.020 228 S CA 0.745 59.005 58.200 0.099 0.000 0.965 228 S CB -0.608 62.633 63.200 0.067 0.000 0.798 228 S HN 0.473 nan 8.310 nan 0.000 0.488 229 A N 2.341 125.255 122.820 0.156 0.000 1.883 229 A HA 0.005 4.325 4.320 -0.000 0.000 0.217 229 A C 2.209 179.985 177.584 0.321 0.000 1.186 229 A CA 1.644 53.826 52.037 0.243 0.000 0.624 229 A CB -0.920 18.156 19.000 0.126 0.000 0.822 229 A HN 0.579 nan 8.150 nan 0.000 0.444 230 I N -0.934 119.754 120.570 0.197 0.000 2.226 230 I HA -0.297 3.872 4.170 -0.000 0.000 0.245 230 I C 2.830 179.014 176.117 0.111 0.000 1.100 230 I CA 1.793 63.180 61.300 0.145 0.000 1.374 230 I CB -0.366 37.688 38.000 0.090 0.000 1.057 230 I HN 0.522 nan 8.210 nan 0.000 0.413 231 Q N 0.424 120.297 119.800 0.121 0.000 2.084 231 Q HA -0.255 4.085 4.340 -0.000 0.000 0.202 231 Q C 2.258 178.337 176.000 0.131 0.000 0.978 231 Q CA 1.922 57.784 55.803 0.098 0.000 0.844 231 Q CB -0.102 28.696 28.738 0.101 0.000 0.898 231 Q HN 0.433 nan 8.270 nan 0.000 0.426 232 F N 0.133 120.116 119.950 0.056 0.000 2.163 232 F HA 0.051 4.578 4.527 -0.000 0.000 0.297 232 F C 1.948 177.731 175.800 -0.028 0.000 1.094 232 F CA 1.671 59.702 58.000 0.052 0.000 1.290 232 F CB -0.765 38.308 39.000 0.122 0.000 1.017 232 F HN 0.117 nan 8.300 nan 0.000 0.483 233 G N 0.741 109.471 108.800 -0.117 0.000 2.440 233 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 233 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 233 G C 1.837 176.522 174.900 -0.358 0.000 1.154 233 G CA 0.740 45.543 45.100 -0.494 0.000 0.767 233 G HN 0.291 nan 8.290 nan 0.000 0.552 234 R N -0.279 120.110 120.500 -0.186 0.000 2.096 234 R HA 0.050 4.390 4.340 -0.000 0.000 0.235 234 R C 2.662 178.847 176.300 -0.190 0.000 1.127 234 R CA 1.118 57.128 56.100 -0.150 0.000 0.968 234 R CB -0.485 29.765 30.300 -0.083 0.000 0.861 234 R HN 0.406 nan 8.270 nan 0.000 0.440 235 M N 0.732 120.191 119.600 -0.234 0.000 2.117 235 M HA -0.097 4.383 4.480 -0.000 0.000 0.262 235 M C 2.284 178.445 176.300 -0.232 0.000 1.065 235 M CA 1.620 56.755 55.300 -0.274 0.000 1.114 235 M CB -0.272 32.175 32.600 -0.256 0.000 1.361 235 M HN 0.174 nan 8.290 nan 0.000 0.408 236 I N -3.281 117.082 120.570 -0.345 0.000 3.793 236 I HA 0.088 4.258 4.170 -0.000 0.000 0.315 236 I C 1.410 177.406 176.117 -0.202 0.000 1.275 236 I CA 0.284 61.430 61.300 -0.256 0.000 1.214 236 I CB -0.379 37.310 38.000 -0.518 0.000 1.018 236 I HN 0.182 nan 8.210 nan 0.000 0.439 237 E N 2.554 122.631 120.200 -0.204 0.000 2.097 237 E HA -0.279 4.071 4.350 -0.000 0.000 0.196 237 E C 1.897 178.443 176.600 -0.090 0.000 1.000 237 E CA 2.218 58.527 56.400 -0.151 0.000 0.804 237 E CB -0.106 29.518 29.700 -0.127 0.000 0.740 237 E HN 0.797 nan 8.360 nan 0.000 0.454 238 E N 0.445 120.610 120.200 -0.058 0.000 2.409 238 E HA -0.151 4.199 4.350 -0.000 0.000 0.198 238 E C 1.708 178.296 176.600 -0.020 0.000 1.024 238 E CA 0.590 56.975 56.400 -0.025 0.000 0.861 238 E CB -0.144 29.556 29.700 0.000 0.000 0.788 238 E HN 0.315 nan 8.360 nan 0.000 0.521 239 L N 0.421 121.622 121.223 -0.036 0.000 2.558 239 L HA 0.213 4.553 4.340 -0.000 0.000 0.225 239 L C 1.053 177.889 176.870 -0.056 0.000 1.128 239 L CA 0.337 55.145 54.840 -0.055 0.000 0.868 239 L CB -0.117 41.885 42.059 -0.095 0.000 1.006 239 L HN 0.377 nan 8.230 nan 0.000 0.454 240 G N 1.539 110.310 108.800 -0.049 0.000 2.370 240 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.268 240 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.268 240 G C -0.093 174.798 174.900 -0.015 0.000 1.122 240 G CA -0.594 44.491 45.100 -0.026 0.000 0.963 240 G HN 0.080 nan 8.290 nan 0.000 0.500 241 I N 0.617 121.166 120.570 -0.035 0.000 2.441 241 I HA 0.265 4.435 4.170 -0.000 0.000 0.287 241 I C 1.634 177.780 176.117 0.048 0.000 1.049 241 I CA -0.625 60.659 61.300 -0.027 0.000 1.381 241 I CB 0.530 38.475 38.000 -0.091 0.000 1.409 241 I HN 0.157 nan 8.210 nan 0.000 0.523 242 F N 7.906 127.769 119.950 -0.145 0.000 2.060 242 F HA -0.114 4.413 4.527 -0.000 0.000 0.295 242 F C 0.507 176.310 175.800 0.004 0.000 1.120 242 F CA 1.145 59.066 58.000 -0.132 0.000 1.205 242 F CB 0.062 38.884 39.000 -0.297 0.000 0.986 242 F HN 0.517 nan 8.300 nan 0.000 0.470 243 Y N -4.224 116.078 120.300 0.004 0.000 2.705 243 Y HA 0.477 5.027 4.550 -0.000 0.000 0.332 243 Y C -1.843 174.118 175.900 0.102 0.000 1.221 243 Y CA -2.361 55.724 58.100 -0.025 0.000 1.059 243 Y CB 0.321 38.711 38.460 -0.117 0.000 1.298 243 Y HN -0.115 nan 8.280 nan 0.000 0.459 244 Y N 2.028 122.440 120.300 0.186 0.000 2.447 244 Y HA 0.425 4.975 4.550 -0.000 0.000 0.325 244 Y C -0.648 175.319 175.900 0.111 0.000 0.976 244 Y CA -1.862 56.297 58.100 0.098 0.000 1.280 244 Y CB 1.138 39.636 38.460 0.064 0.000 1.104 244 Y HN 0.833 nan 8.280 nan 0.000 0.486 245 E N 4.465 124.702 120.200 0.061 0.000 2.197 245 E HA 0.232 4.582 4.350 -0.000 0.000 0.281 245 E C -0.450 176.032 176.600 -0.197 0.000 0.995 245 E CA -0.245 56.146 56.400 -0.015 0.000 0.808 245 E CB 0.568 30.308 29.700 0.066 0.000 1.093 245 E HN 0.735 nan 8.360 nan 0.000 0.394 246 E N 2.945 123.033 120.200 -0.186 0.000 2.199 246 E HA -0.172 4.178 4.350 -0.000 0.000 0.208 246 E C -1.772 174.669 176.600 -0.267 0.000 1.310 246 E CA 0.141 56.415 56.400 -0.210 0.000 0.709 246 E CB -0.545 29.048 29.700 -0.178 0.000 1.127 246 E HN 0.578 nan 8.360 nan 0.000 0.354 247 P HA -0.085 nan 4.420 nan 0.000 0.222 247 P C 0.631 177.835 177.300 -0.159 0.000 1.147 247 P CA 1.018 63.879 63.100 -0.399 0.000 0.790 247 P CB 0.414 31.816 31.700 -0.497 0.000 0.780 248 V N -0.630 119.217 119.914 -0.112 0.000 3.178 248 V HA 0.378 4.498 4.120 -0.000 0.000 0.302 248 V C -0.460 175.610 176.094 -0.039 0.000 1.262 248 V CA -1.493 60.782 62.300 -0.041 0.000 1.030 248 V CB 2.249 34.071 31.823 -0.003 0.000 1.074 248 V HN -0.041 nan 8.190 nan 0.000 0.438 249 M N 5.273 124.867 119.600 -0.010 0.000 2.226 249 M HA 0.489 4.968 4.480 -0.000 0.000 0.324 249 M C -1.746 174.562 176.300 0.014 0.000 1.112 249 M CA -0.736 54.556 55.300 -0.013 0.000 1.176 249 M CB 0.674 33.280 32.600 0.011 0.000 1.430 249 M HN 0.459 nan 8.290 nan 0.000 0.462 250 P HA 0.087 nan 4.420 nan 0.000 0.249 250 P C 1.237 178.631 177.300 0.157 0.000 1.229 250 P CA 0.603 63.785 63.100 0.136 0.000 0.788 250 P CB 0.098 31.751 31.700 -0.078 0.000 1.072 251 L N -0.631 120.626 121.223 0.056 0.000 2.083 251 L HA -0.076 4.264 4.340 -0.000 0.000 0.209 251 L C 1.233 178.108 176.870 0.009 0.000 1.083 251 L CA 1.095 55.951 54.840 0.027 0.000 0.752 251 L CB -0.679 41.390 42.059 0.016 0.000 0.899 251 L HN 0.066 nan 8.230 nan 0.000 0.433 252 N N -0.411 118.294 118.700 0.007 0.000 2.564 252 N HA 0.183 4.923 4.740 -0.000 0.000 0.248 252 N C -2.042 173.429 175.510 -0.065 0.000 0.986 252 N CA -2.110 50.919 53.050 -0.034 0.000 0.921 252 N CB 1.512 39.987 38.487 -0.021 0.000 1.136 252 N HN -0.212 nan 8.380 nan 0.000 0.509 253 P HA -0.045 nan 4.420 nan 0.000 0.223 253 P C 0.785 177.934 177.300 -0.251 0.000 1.144 253 P CA 0.771 63.590 63.100 -0.468 0.000 0.783 253 P CB 0.321 31.444 31.700 -0.961 0.000 0.771 254 A N -0.478 122.250 122.820 -0.154 0.000 2.015 254 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 254 A C 2.143 179.707 177.584 -0.034 0.000 1.163 254 A CA 1.248 53.233 52.037 -0.088 0.000 0.646 254 A CB -0.852 18.108 19.000 -0.066 0.000 0.806 254 A HN 0.103 nan 8.150 nan 0.000 0.448 255 Q N -1.190 118.602 119.800 -0.014 0.000 2.079 255 Q HA -0.163 4.177 4.340 -0.000 0.000 0.200 255 Q C 1.992 178.018 176.000 0.043 0.000 0.974 255 Q CA 1.714 57.528 55.803 0.018 0.000 0.840 255 Q CB -0.623 28.130 28.738 0.025 0.000 0.898 255 Q HN 0.669 nan 8.270 nan 0.000 0.430 256 M N 1.066 120.714 119.600 0.080 0.000 2.149 256 M HA -0.182 4.298 4.480 -0.000 0.000 0.261 256 M C 1.868 178.218 176.300 0.084 0.000 1.064 256 M CA 1.540 56.912 55.300 0.119 0.000 1.102 256 M CB -0.118 32.660 32.600 0.297 0.000 1.369 256 M HN -0.066 nan 8.290 nan 0.000 0.408 257 K N -0.234 120.194 120.400 0.047 0.000 2.097 257 K HA -0.178 4.142 4.320 -0.000 0.000 0.205 257 K C 1.998 178.615 176.600 0.029 0.000 1.050 257 K CA 1.762 58.065 56.287 0.027 0.000 0.938 257 K CB -0.518 31.974 32.500 -0.013 0.000 0.718 257 K HN 0.458 nan 8.250 nan 0.000 0.442 258 Q N 0.030 119.845 119.800 0.025 0.000 2.084 258 Q HA -0.078 4.262 4.340 -0.000 0.000 0.202 258 Q C 1.818 177.845 176.000 0.046 0.000 0.978 258 Q CA 1.936 57.756 55.803 0.028 0.000 0.844 258 Q CB -0.289 28.463 28.738 0.023 0.000 0.898 258 Q HN 0.149 nan 8.270 nan 0.000 0.426 259 V N 0.773 120.723 119.914 0.061 0.000 2.295 259 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 259 V C 2.326 178.477 176.094 0.094 0.000 1.049 259 V CA 1.802 64.156 62.300 0.090 0.000 1.024 259 V CB -1.415 30.469 31.823 0.102 0.000 0.648 259 V HN 0.539 nan 8.190 nan 0.000 0.447 260 A N 0.002 122.870 122.820 0.080 0.000 1.908 260 A HA -0.286 4.034 4.320 -0.000 0.000 0.218 260 A C 1.967 179.580 177.584 0.049 0.000 1.181 260 A CA 2.213 54.292 52.037 0.070 0.000 0.627 260 A CB -0.665 18.371 19.000 0.060 0.000 0.818 260 A HN 0.549 nan 8.150 nan 0.000 0.445 261 D N -0.478 119.946 120.400 0.039 0.000 2.178 261 D HA -0.069 4.571 4.640 -0.000 0.000 0.202 261 D C 1.618 177.933 176.300 0.024 0.000 0.974 261 D CA 1.056 55.072 54.000 0.026 0.000 0.841 261 D CB -0.024 40.788 40.800 0.020 0.000 0.953 261 D HN 0.307 nan 8.370 nan 0.000 0.478 262 K N -0.162 120.258 120.400 0.033 0.000 2.354 262 K HA 0.192 4.512 4.320 -0.000 0.000 0.194 262 K C 0.034 176.646 176.600 0.021 0.000 1.038 262 K CA 0.047 56.350 56.287 0.026 0.000 1.052 262 K CB 1.532 34.051 32.500 0.031 0.000 0.861 262 K HN -0.008 nan 8.250 nan 0.000 0.535 263 V N 3.057 122.991 119.914 0.034 0.000 2.448 263 V HA 0.222 4.342 4.120 -0.000 0.000 0.295 263 V C -0.232 175.862 176.094 0.000 0.000 1.025 263 V CA -0.897 61.410 62.300 0.011 0.000 0.859 263 V CB 1.677 33.534 31.823 0.057 0.000 0.988 263 V HN 0.108 nan 8.190 nan 0.000 0.431 264 N N 5.499 124.179 118.700 -0.033 0.000 3.052 264 N HA 0.405 5.145 4.740 -0.000 0.000 0.302 264 N C -0.627 174.860 175.510 -0.038 0.000 1.332 264 N CA 0.240 53.273 53.050 -0.027 0.000 1.129 264 N CB 0.221 38.689 38.487 -0.031 0.000 1.436 264 N HN 0.579 nan 8.380 nan 0.000 0.536 265 I N 0.352 120.908 120.570 -0.023 0.000 2.619 265 I HA 0.334 4.504 4.170 -0.000 0.000 0.292 265 I C -2.363 173.783 176.117 0.048 0.000 1.100 265 I CA -2.396 58.896 61.300 -0.013 0.000 1.043 265 I CB 2.635 40.588 38.000 -0.078 0.000 1.239 265 I HN -0.193 nan 8.210 nan 0.000 0.420 266 P HA 0.157 nan 4.420 nan 0.000 0.264 266 P C -0.873 176.485 177.300 0.097 0.000 1.193 266 P CA 0.123 63.245 63.100 0.037 0.000 0.763 266 P CB 0.342 32.032 31.700 -0.017 0.000 0.810 267 L N 2.101 123.365 121.223 0.068 0.000 2.357 267 L HA 0.690 5.030 4.340 -0.000 0.000 0.273 267 L C 0.570 177.423 176.870 -0.028 0.000 1.080 267 L CA -0.770 54.114 54.840 0.074 0.000 0.803 267 L CB 1.236 43.330 42.059 0.059 0.000 1.174 267 L HN 0.357 nan 8.230 nan 0.000 0.443 268 A N 2.210 125.011 122.820 -0.031 0.000 2.386 268 A HA 0.966 5.286 4.320 -0.000 0.000 0.311 268 A C -0.751 176.771 177.584 -0.105 0.000 1.068 268 A CA -0.256 51.705 52.037 -0.128 0.000 0.743 268 A CB 1.873 20.748 19.000 -0.208 0.000 1.258 268 A HN 0.862 nan 8.150 nan 0.000 0.429 269 A N -0.232 122.508 122.820 -0.133 0.000 2.586 269 A HA 0.852 5.172 4.320 -0.000 0.000 0.290 269 A C 0.154 177.665 177.584 -0.122 0.000 1.086 269 A CA 0.123 52.059 52.037 -0.168 0.000 0.665 269 A CB 0.586 19.401 19.000 -0.308 0.000 1.279 269 A HN 2.509 nan 8.150 nan 0.000 0.423 270 G N -0.635 108.084 108.800 -0.135 0.000 3.859 270 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.220 270 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.220 270 G C 0.654 175.535 174.900 -0.031 0.000 0.892 270 G CA 0.933 46.005 45.100 -0.046 0.000 0.858 270 G HN 1.171 nan 8.290 nan 0.000 0.625 271 E N 0.646 120.802 120.200 -0.074 0.000 2.204 271 E HA -0.049 4.301 4.350 -0.000 0.000 0.195 271 E C 1.644 178.196 176.600 -0.079 0.000 0.990 271 E CA 0.572 56.899 56.400 -0.123 0.000 0.821 271 E CB -0.100 29.305 29.700 -0.492 0.000 0.750 271 E HN 0.411 nan 8.360 nan 0.000 0.477 272 R N 0.554 120.923 120.500 -0.218 0.000 2.700 272 R HA 0.413 4.753 4.340 -0.000 0.000 0.377 272 R C -0.510 175.235 176.300 -0.924 0.000 1.130 272 R CA -0.187 55.690 56.100 -0.371 0.000 1.055 272 R CB 0.567 30.772 30.300 -0.160 0.000 1.387 272 R HN 0.146 nan 8.270 nan 0.000 0.580 273 I N 0.906 120.932 120.570 -0.908 0.000 2.436 273 I HA 0.326 4.496 4.170 -0.000 0.000 0.289 273 I C -1.056 174.634 176.117 -0.711 0.000 1.010 273 I CA -1.104 59.586 61.300 -1.017 0.000 1.098 273 I CB 1.371 38.680 38.000 -1.152 0.000 1.266 273 I HN -0.039 nan 8.210 nan 0.000 0.434 274 Y N 4.827 125.042 120.300 -0.142 0.000 2.364 274 Y HA 0.581 5.131 4.550 -0.000 0.000 0.340 274 Y C -0.648 175.369 175.900 0.196 0.000 0.975 274 Y CA -1.191 56.884 58.100 -0.041 0.000 1.089 274 Y CB 0.921 39.116 38.460 -0.442 0.000 1.192 274 Y HN 0.459 nan 8.280 nan 0.000 0.454 275 W N 0.396 122.062 121.300 0.609 0.000 3.078 275 W HA -0.221 4.439 4.660 -0.000 0.000 0.320 275 W C 1.167 178.007 176.519 0.535 0.000 0.239 275 W CA -1.364 56.344 57.345 0.605 0.000 0.459 275 W CB -0.399 29.549 29.460 0.813 0.000 2.859 275 W HN 0.732 nan 8.180 nan 0.000 0.416 276 R N -0.311 120.525 120.500 0.560 0.000 2.119 276 R HA -0.209 4.131 4.340 -0.000 0.000 0.246 276 R C 2.099 178.552 176.300 0.255 0.000 1.146 276 R CA 2.693 58.911 56.100 0.197 0.000 0.962 276 R CB -0.351 29.791 30.300 -0.263 0.000 0.863 276 R HN 0.499 nan 8.270 nan 0.000 0.442 277 W N -0.379 121.145 121.300 0.375 0.000 2.363 277 W HA -0.064 4.596 4.660 -0.000 0.000 0.296 277 W C 2.209 178.854 176.519 0.211 0.000 1.212 277 W CA 1.152 58.667 57.345 0.284 0.000 1.260 277 W CB -0.639 29.020 29.460 0.332 0.000 1.131 277 W HN 0.317 nan 8.180 nan 0.000 0.530 278 G N -1.060 108.002 108.800 0.437 0.000 2.421 278 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.217 278 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.217 278 G C 1.121 176.065 174.900 0.074 0.000 1.143 278 G CA 0.515 45.708 45.100 0.154 0.000 0.784 278 G HN 0.219 nan 8.290 nan 0.000 0.541 279 Y N 0.188 120.614 120.300 0.209 0.000 2.395 279 Y HA 0.097 4.647 4.550 -0.000 0.000 0.293 279 Y C 2.807 178.801 175.900 0.157 0.000 1.123 279 Y CA 0.850 59.058 58.100 0.179 0.000 1.227 279 Y CB -0.076 38.433 38.460 0.082 0.000 1.012 279 Y HN 0.042 nan 8.280 nan 0.000 0.552 280 R N 0.838 121.462 120.500 0.207 0.000 2.112 280 R HA -0.198 4.142 4.340 -0.000 0.000 0.242 280 R C -0.824 175.460 176.300 -0.027 0.000 1.137 280 R CA 2.192 58.327 56.100 0.057 0.000 0.944 280 R CB -1.487 28.841 30.300 0.046 0.000 0.857 280 R HN 0.224 nan 8.270 nan 0.000 0.435 281 P HA -0.123 nan 4.420 nan 0.000 0.221 281 P C 0.889 177.989 177.300 -0.334 0.000 1.150 281 P CA 1.298 64.254 63.100 -0.240 0.000 0.800 281 P CB -0.181 31.287 31.700 -0.386 0.000 0.787 282 F N -0.663 119.230 119.950 -0.096 0.000 2.456 282 F HA 0.054 4.581 4.527 -0.000 0.000 0.298 282 F C 2.462 178.184 175.800 -0.131 0.000 1.104 282 F CA 0.702 58.646 58.000 -0.093 0.000 1.435 282 F CB -0.905 38.047 39.000 -0.081 0.000 1.078 282 F HN -0.240 nan 8.300 nan 0.000 0.546 283 L N -0.451 120.733 121.223 -0.064 0.000 2.095 283 L HA -0.103 4.237 4.340 -0.000 0.000 0.204 283 L C 2.179 178.749 176.870 -0.499 0.000 1.080 283 L CA 1.267 55.853 54.840 -0.422 0.000 0.759 283 L CB -0.587 41.022 42.059 -0.751 0.000 0.914 283 L HN 0.102 nan 8.230 nan 0.000 0.439 284 E N 0.617 120.619 120.200 -0.330 0.000 2.208 284 E HA -0.177 4.172 4.350 -0.000 0.000 0.193 284 E C 1.459 178.004 176.600 -0.092 0.000 0.988 284 E CA 1.183 57.479 56.400 -0.173 0.000 0.828 284 E CB -0.127 29.510 29.700 -0.106 0.000 0.763 284 E HN 0.548 nan 8.360 nan 0.000 0.478 285 N N -0.149 118.486 118.700 -0.108 0.000 2.353 285 N HA -0.007 4.733 4.740 -0.000 0.000 0.185 285 N C 1.175 176.670 175.510 -0.025 0.000 1.098 285 N CA 0.961 53.967 53.050 -0.073 0.000 0.872 285 N CB 0.528 38.944 38.487 -0.118 0.000 0.970 285 N HN 0.130 nan 8.380 nan 0.000 0.467 286 G N -0.285 108.508 108.800 -0.011 0.000 2.148 286 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.254 286 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.254 286 G C 0.975 175.900 174.900 0.043 0.000 0.981 286 G CA 0.885 46.001 45.100 0.026 0.000 0.670 286 G HN 0.702 nan 8.290 nan 0.000 0.528 287 S N -1.082 114.658 115.700 0.066 0.000 2.414 287 S HA 0.373 4.843 4.470 -0.000 0.000 0.227 287 S C 1.112 175.764 174.600 0.088 0.000 1.022 287 S CA 0.532 58.787 58.200 0.092 0.000 0.958 287 S CB 0.227 63.515 63.200 0.147 0.000 0.797 287 S HN 0.538 nan 8.310 nan 0.000 0.493 288 L N 1.388 122.665 121.223 0.090 0.000 2.322 288 L HA 0.449 4.789 4.340 -0.000 0.000 0.279 288 L C 0.701 177.575 176.870 0.006 0.000 1.036 288 L CA -0.502 54.357 54.840 0.031 0.000 0.807 288 L CB 1.827 43.895 42.059 0.017 0.000 1.226 288 L HN 0.112 nan 8.230 nan 0.000 0.433 289 S N 0.927 116.603 115.700 -0.040 0.000 2.499 289 S HA 0.168 4.638 4.470 -0.000 0.000 0.225 289 S C 0.232 174.753 174.600 -0.132 0.000 1.050 289 S CA -0.008 58.153 58.200 -0.066 0.000 0.928 289 S CB 0.737 63.892 63.200 -0.074 0.000 0.803 289 S HN 0.332 nan 8.310 nan 0.000 0.506 290 V N 3.488 123.273 119.914 -0.214 0.000 2.588 290 V HA 0.536 4.656 4.120 -0.000 0.000 0.304 290 V C -0.622 175.346 176.094 -0.209 0.000 1.042 290 V CA -1.002 61.107 62.300 -0.319 0.000 0.877 290 V CB 1.607 32.970 31.823 -0.767 0.000 0.996 290 V HN 0.388 nan 8.190 nan 0.000 0.425 291 I N 2.113 122.606 120.570 -0.127 0.000 2.525 291 I HA 0.674 4.844 4.170 -0.000 0.000 0.301 291 I C -0.240 175.869 176.117 -0.014 0.000 0.992 291 I CA -0.377 60.902 61.300 -0.035 0.000 1.162 291 I CB 1.770 39.749 38.000 -0.035 0.000 1.332 291 I HN 0.610 nan 8.210 nan 0.000 0.458 292 Q N 4.682 124.527 119.800 0.074 0.000 2.719 292 Q HA 0.363 4.703 4.340 -0.000 0.000 0.376 292 Q C -2.542 173.579 176.000 0.202 0.000 0.856 292 Q CA -1.761 54.120 55.803 0.129 0.000 1.038 292 Q CB 0.751 29.577 28.738 0.147 0.000 1.418 292 Q HN 0.525 nan 8.270 nan 0.000 0.395 293 P HA -0.063 nan 4.420 nan 0.000 0.269 293 P C -0.543 176.914 177.300 0.261 0.000 1.209 293 P CA 0.143 63.393 63.100 0.250 0.000 0.776 293 P CB 0.995 32.775 31.700 0.134 0.000 0.876 294 D N 2.338 122.925 120.400 0.311 0.000 2.274 294 D HA 0.153 4.793 4.640 -0.000 0.000 0.239 294 D C 1.404 177.870 176.300 0.277 0.000 1.104 294 D CA -0.488 53.716 54.000 0.340 0.000 0.840 294 D CB 0.834 41.894 40.800 0.434 0.000 1.100 294 D HN 0.203 nan 8.370 nan 0.000 0.477 295 I N 2.212 122.913 120.570 0.219 0.000 2.361 295 I HA -0.269 3.901 4.170 -0.000 0.000 0.251 295 I C 2.137 178.375 176.117 0.202 0.000 1.133 295 I CA 0.720 62.129 61.300 0.181 0.000 1.413 295 I CB 0.005 38.074 38.000 0.115 0.000 1.073 295 I HN 0.458 nan 8.210 nan 0.000 0.424 296 C N -0.141 119.282 119.300 0.204 0.000 2.562 296 C HA 0.045 4.504 4.460 -0.000 0.000 0.266 296 C C 2.471 177.568 174.990 0.178 0.000 1.382 296 C CA 0.626 59.752 59.018 0.181 0.000 1.742 296 C CB -1.128 26.709 27.740 0.163 0.000 1.812 296 C HN 0.509 nan 8.230 nan 0.000 0.559 297 T N -1.465 113.224 114.554 0.225 0.000 3.058 297 T HA 0.019 4.369 4.350 -0.000 0.000 0.247 297 T C 1.162 176.026 174.700 0.272 0.000 0.987 297 T CA 0.589 62.808 62.100 0.198 0.000 1.062 297 T CB -0.068 68.932 68.868 0.220 0.000 1.048 297 T HN 0.472 nan 8.240 nan 0.000 0.468 298 C N 1.948 121.489 119.300 0.402 0.000 2.688 298 C HA 0.698 5.158 4.460 -0.000 0.000 0.297 298 C C 1.944 177.364 174.990 0.717 0.000 1.308 298 C CA -0.269 59.095 59.018 0.576 0.000 1.726 298 C CB -1.087 26.983 27.740 0.551 0.000 1.982 298 C HN 0.848 nan 8.230 nan 0.000 0.604 299 G N -0.484 108.710 108.800 0.656 0.000 2.613 299 G HA2 0.393 4.353 3.960 -0.000 0.000 0.199 299 G HA3 0.393 4.353 3.960 -0.000 0.000 0.199 299 G C 0.407 175.664 174.900 0.595 0.000 0.991 299 G CA 0.135 45.718 45.100 0.806 0.000 0.756 299 G HN 1.425 nan 8.290 nan 0.000 0.515 300 G N -0.464 108.566 108.800 0.383 0.000 2.698 300 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.225 300 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.225 300 G C 0.872 175.845 174.900 0.123 0.000 1.345 300 G CA -0.017 45.243 45.100 0.268 0.000 0.871 300 G HN 0.914 nan 8.290 nan 0.000 0.540 301 I N 0.443 121.008 120.570 -0.009 0.000 2.179 301 I HA -0.147 4.022 4.170 -0.000 0.000 0.242 301 I C 3.115 179.055 176.117 -0.296 0.000 1.088 301 I CA 2.340 63.444 61.300 -0.327 0.000 1.357 301 I CB -0.641 36.823 38.000 -0.894 0.000 1.051 301 I HN 0.705 nan 8.210 nan 0.000 0.409 302 T N -0.219 114.312 114.554 -0.038 0.000 2.665 302 T HA -0.264 4.086 4.350 -0.000 0.000 0.268 302 T C 1.823 176.402 174.700 -0.201 0.000 1.035 302 T CA 1.971 64.095 62.100 0.041 0.000 1.151 302 T CB -0.234 68.711 68.868 0.128 0.000 0.862 302 T HN 0.304 nan 8.240 nan 0.000 0.438 303 E N 0.468 120.507 120.200 -0.268 0.000 2.086 303 E HA -0.003 4.347 4.350 -0.000 0.000 0.190 303 E C 2.122 178.674 176.600 -0.080 0.000 0.975 303 E CA 0.441 56.656 56.400 -0.308 0.000 0.813 303 E CB -0.396 29.146 29.700 -0.263 0.000 0.768 303 E HN 0.233 nan 8.360 nan 0.000 0.457 304 V N 1.112 121.024 119.914 -0.003 0.000 2.407 304 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 304 V C 2.304 178.353 176.094 -0.075 0.000 1.055 304 V CA 1.852 64.150 62.300 -0.003 0.000 1.049 304 V CB -0.556 31.294 31.823 0.046 0.000 0.662 304 V HN 0.200 nan 8.190 nan 0.000 0.455 305 K N 1.160 121.490 120.400 -0.116 0.000 2.020 305 K HA -0.213 4.107 4.320 -0.000 0.000 0.212 305 K C 2.050 178.593 176.600 -0.095 0.000 1.050 305 K CA 1.798 58.014 56.287 -0.118 0.000 0.929 305 K CB -0.398 32.011 32.500 -0.152 0.000 0.714 305 K HN 0.440 nan 8.250 nan 0.000 0.443 306 K N -0.013 120.322 120.400 -0.107 0.000 2.063 306 K HA -0.118 4.201 4.320 -0.000 0.000 0.208 306 K C 2.220 178.765 176.600 -0.092 0.000 1.048 306 K CA 1.796 58.021 56.287 -0.104 0.000 0.928 306 K CB -0.331 32.075 32.500 -0.156 0.000 0.713 306 K HN 0.164 nan 8.250 nan 0.000 0.442 307 I N 1.027 121.536 120.570 -0.101 0.000 2.163 307 I HA -0.388 3.782 4.170 -0.000 0.000 0.243 307 I C 2.482 178.507 176.117 -0.152 0.000 1.085 307 I CA 1.162 62.370 61.300 -0.153 0.000 1.347 307 I CB -0.436 37.405 38.000 -0.265 0.000 1.044 307 I HN 0.269 nan 8.210 nan 0.000 0.408 308 C N 0.579 119.806 119.300 -0.121 0.000 2.413 308 C HA -0.172 4.288 4.460 -0.000 0.000 0.276 308 C C 2.442 177.415 174.990 -0.028 0.000 1.248 308 C CA 0.755 59.725 59.018 -0.079 0.000 1.742 308 C CB -1.102 26.599 27.740 -0.064 0.000 2.017 308 C HN 0.537 nan 8.230 nan 0.000 0.481 309 D N 0.186 120.571 120.400 -0.025 0.000 2.097 309 D HA -0.145 4.495 4.640 -0.000 0.000 0.197 309 D C 2.023 178.363 176.300 0.067 0.000 0.984 309 D CA 1.098 55.108 54.000 0.016 0.000 0.826 309 D CB -0.554 40.242 40.800 -0.006 0.000 0.973 309 D HN 0.475 nan 8.370 nan 0.000 0.460 310 M N 0.646 120.271 119.600 0.042 0.000 2.117 310 M HA -0.151 4.328 4.480 -0.000 0.000 0.262 310 M C 2.032 178.451 176.300 0.199 0.000 1.065 310 M CA 1.623 56.981 55.300 0.097 0.000 1.114 310 M CB 0.059 32.694 32.600 0.058 0.000 1.361 310 M HN 0.003 nan 8.290 nan 0.000 0.408 311 A N -1.112 121.791 122.820 0.139 0.000 1.972 311 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 311 A C 1.768 179.489 177.584 0.228 0.000 1.169 311 A CA 2.085 54.230 52.037 0.179 0.000 0.635 311 A CB -1.162 17.863 19.000 0.042 0.000 0.810 311 A HN 0.715 nan 8.150 nan 0.000 0.446 312 H N 0.168 119.272 119.070 0.057 0.000 2.387 312 H HA -0.090 4.466 4.556 -0.000 0.000 0.299 312 H C 1.804 177.128 175.328 -0.007 0.000 1.099 312 H CA 1.762 57.824 56.048 0.023 0.000 1.315 312 H CB -0.392 29.372 29.762 0.004 0.000 1.380 312 H HN 0.159 nan 8.280 nan 0.000 0.513 313 V N -0.227 119.645 119.914 -0.069 0.000 2.546 313 V HA -0.269 3.851 4.120 -0.000 0.000 0.254 313 V C 1.101 176.928 176.094 -0.445 0.000 1.076 313 V CA 1.816 63.929 62.300 -0.311 0.000 1.087 313 V CB -0.785 30.803 31.823 -0.392 0.000 0.674 313 V HN 0.489 nan 8.190 nan 0.000 0.470 314 Y N -1.101 119.174 120.300 -0.043 0.000 2.636 314 Y HA 0.336 4.886 4.550 -0.000 0.000 0.260 314 Y C 0.615 176.499 175.900 -0.027 0.000 1.177 314 Y CA -0.879 57.206 58.100 -0.025 0.000 1.209 314 Y CB -0.050 38.414 38.460 0.006 0.000 1.166 314 Y HN 0.214 nan 8.280 nan 0.000 0.531 315 D N 0.630 121.048 120.400 0.029 0.000 2.708 315 D HA -0.173 4.467 4.640 -0.000 0.000 0.236 315 D C -0.620 175.718 176.300 0.064 0.000 1.146 315 D CA 0.715 54.725 54.000 0.018 0.000 0.662 315 D CB -0.534 40.262 40.800 -0.005 0.000 1.059 315 D HN 0.137 nan 8.370 nan 0.000 0.428 316 K N 0.145 120.604 120.400 0.099 0.000 2.143 316 K HA 0.582 4.901 4.320 -0.000 0.000 0.272 316 K C 0.930 177.556 176.600 0.044 0.000 1.001 316 K CA -0.442 55.876 56.287 0.051 0.000 0.915 316 K CB 1.115 33.642 32.500 0.046 0.000 1.047 316 K HN 0.233 nan 8.250 nan 0.000 0.458 317 T N -2.457 112.082 114.554 -0.026 0.000 2.948 317 T HA 0.626 4.976 4.350 -0.000 0.000 0.285 317 T C -0.044 174.608 174.700 -0.080 0.000 1.019 317 T CA -0.859 61.217 62.100 -0.039 0.000 1.013 317 T CB 1.239 70.061 68.868 -0.077 0.000 1.117 317 T HN 0.140 nan 8.240 nan 0.000 0.533 318 V N 1.787 121.668 119.914 -0.054 0.000 2.531 318 V HA 0.477 4.597 4.120 -0.000 0.000 0.301 318 V C -0.467 175.633 176.094 0.010 0.000 1.034 318 V CA -0.761 61.530 62.300 -0.015 0.000 0.865 318 V CB 1.508 33.360 31.823 0.048 0.000 0.995 318 V HN 0.976 nan 8.190 nan 0.000 0.424 319 Q N 5.127 124.940 119.800 0.022 0.000 2.413 319 Q HA 0.347 4.687 4.340 -0.000 0.000 0.258 319 Q C -0.674 175.419 176.000 0.156 0.000 1.037 319 Q CA -0.763 55.118 55.803 0.131 0.000 0.764 319 Q CB 1.249 30.111 28.738 0.206 0.000 1.217 319 Q HN 0.622 nan 8.270 nan 0.000 0.490 320 I N 3.926 124.600 120.570 0.173 0.000 2.906 320 I HA -0.141 4.029 4.170 -0.000 0.000 0.302 320 I C 0.883 177.078 176.117 0.131 0.000 1.220 320 I CA 0.693 62.079 61.300 0.142 0.000 1.441 320 I CB -0.301 37.770 38.000 0.119 0.000 1.336 320 I HN 0.595 nan 8.210 nan 0.000 0.565 321 H N 6.655 125.799 119.070 0.124 0.000 2.767 321 H HA 0.341 4.897 4.556 -0.000 0.000 0.316 321 H C -1.309 174.115 175.328 0.160 0.000 1.059 321 H CA -0.265 55.878 56.048 0.158 0.000 1.461 321 H CB 0.986 30.870 29.762 0.203 0.000 1.475 321 H HN 0.296 nan 8.280 nan 0.000 0.531 322 V N 6.275 125.959 119.914 -0.383 0.000 2.409 322 V HA 0.145 4.265 4.120 -0.000 0.000 0.290 322 V C -0.305 175.719 176.094 -0.117 0.000 1.017 322 V CA -0.677 61.531 62.300 -0.154 0.000 0.841 322 V CB 1.227 32.999 31.823 -0.085 0.000 1.003 322 V HN 0.887 nan 8.190 nan 0.000 0.426 323 C N 4.661 123.984 119.300 0.038 0.000 3.432 323 C HA 0.793 5.253 4.460 -0.000 0.000 0.242 323 C C 0.617 175.910 174.990 0.505 0.000 1.152 323 C CA 0.382 59.514 59.018 0.189 0.000 1.242 323 C CB -0.769 26.986 27.740 0.024 0.000 1.802 323 C HN 1.108 nan 8.230 nan 0.000 0.577 324 G N 1.140 110.263 108.800 0.539 0.000 2.871 324 G HA2 0.712 4.672 3.960 -0.000 0.000 0.282 324 G HA3 0.712 4.672 3.960 -0.000 0.000 0.282 324 G C 0.130 175.410 174.900 0.633 0.000 1.212 324 G CA 0.261 45.657 45.100 0.492 0.000 0.812 324 G HN 0.843 nan 8.290 nan 0.000 0.547 325 G N -0.658 108.394 108.800 0.420 0.000 2.535 325 G HA2 0.485 4.445 3.960 -0.000 0.000 0.282 325 G HA3 0.485 4.445 3.960 -0.000 0.000 0.282 325 G C -1.283 173.785 174.900 0.279 0.000 1.350 325 G CA -0.485 44.846 45.100 0.385 0.000 1.039 325 G HN 0.312 nan 8.290 nan 0.000 0.509 326 P HA -0.098 nan 4.420 nan 0.000 0.217 326 P C 1.925 179.340 177.300 0.191 0.000 1.148 326 P CA 0.845 64.065 63.100 0.201 0.000 0.828 326 P CB 0.105 31.914 31.700 0.181 0.000 0.783 327 I N -1.132 119.546 120.570 0.180 0.000 2.208 327 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 327 I C 2.503 178.716 176.117 0.160 0.000 1.097 327 I CA 1.602 63.004 61.300 0.171 0.000 1.363 327 I CB -0.728 37.376 38.000 0.173 0.000 1.051 327 I HN 0.029 nan 8.210 nan 0.000 0.413 328 S N 0.064 115.866 115.700 0.170 0.000 2.353 328 S HA -0.228 4.242 4.470 -0.000 0.000 0.222 328 S C 2.108 176.789 174.600 0.135 0.000 1.035 328 S CA 2.377 60.674 58.200 0.163 0.000 1.025 328 S CB -0.360 62.956 63.200 0.194 0.000 0.902 328 S HN 0.433 nan 8.310 nan 0.000 0.440 329 T N 2.180 116.814 114.554 0.134 0.000 2.665 329 T HA -0.126 4.223 4.350 -0.000 0.000 0.268 329 T C 2.010 176.693 174.700 -0.027 0.000 1.035 329 T CA 1.568 63.713 62.100 0.074 0.000 1.151 329 T CB -0.855 68.058 68.868 0.075 0.000 0.862 329 T HN 0.554 nan 8.240 nan 0.000 0.438 330 A N 1.468 124.294 122.820 0.011 0.000 1.873 330 A HA -0.121 4.198 4.320 -0.000 0.000 0.218 330 A C 2.708 180.314 177.584 0.037 0.000 1.193 330 A CA 2.369 54.379 52.037 -0.045 0.000 0.629 330 A CB -1.246 17.805 19.000 0.085 0.000 0.826 330 A HN 0.532 nan 8.150 nan 0.000 0.447 331 V N -2.272 117.715 119.914 0.122 0.000 2.427 331 V HA -0.051 4.069 4.120 -0.000 0.000 0.248 331 V C 2.552 178.692 176.094 0.077 0.000 1.051 331 V CA 1.897 64.279 62.300 0.138 0.000 1.048 331 V CB -1.608 30.272 31.823 0.095 0.000 0.666 331 V HN 0.598 nan 8.190 nan 0.000 0.456 332 A N 1.030 123.886 122.820 0.059 0.000 1.892 332 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 332 A C 2.289 179.865 177.584 -0.013 0.000 1.188 332 A CA 2.442 54.515 52.037 0.060 0.000 0.631 332 A CB -0.825 18.247 19.000 0.121 0.000 0.822 332 A HN 0.609 nan 8.150 nan 0.000 0.447 333 L N -1.427 119.707 121.223 -0.149 0.000 2.042 333 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 333 L C 2.716 179.395 176.870 -0.318 0.000 1.076 333 L CA 1.456 56.083 54.840 -0.354 0.000 0.749 333 L CB -0.861 40.850 42.059 -0.581 0.000 0.893 333 L HN 0.501 nan 8.230 nan 0.000 0.432 334 H N -1.045 117.940 119.070 -0.141 0.000 2.321 334 H HA -0.207 4.349 4.556 -0.000 0.000 0.300 334 H C 2.228 177.509 175.328 -0.078 0.000 1.087 334 H CA 1.944 57.953 56.048 -0.064 0.000 1.319 334 H CB -0.149 29.596 29.762 -0.028 0.000 1.379 334 H HN 0.245 nan 8.280 nan 0.000 0.501 335 M N 1.297 120.913 119.600 0.027 0.000 2.086 335 M HA -0.133 4.347 4.480 -0.000 0.000 0.261 335 M C 1.891 178.151 176.300 -0.066 0.000 1.067 335 M CA 1.659 56.940 55.300 -0.031 0.000 1.116 335 M CB -0.122 32.462 32.600 -0.026 0.000 1.348 335 M HN 0.149 nan 8.290 nan 0.000 0.407 336 E N -1.522 118.601 120.200 -0.129 0.000 2.268 336 E HA -0.126 4.224 4.350 -0.000 0.000 0.195 336 E C 1.691 178.018 176.600 -0.454 0.000 0.995 336 E CA 1.424 57.629 56.400 -0.324 0.000 0.836 336 E CB -0.118 29.273 29.700 -0.517 0.000 0.763 336 E HN 0.543 nan 8.360 nan 0.000 0.491 337 T N 0.307 114.676 114.554 -0.308 0.000 2.851 337 T HA -0.034 4.316 4.350 -0.000 0.000 0.262 337 T C 1.915 176.529 174.700 -0.143 0.000 1.043 337 T CA 1.070 63.003 62.100 -0.278 0.000 1.140 337 T CB 0.009 68.679 68.868 -0.330 0.000 0.872 337 T HN 0.228 nan 8.240 nan 0.000 0.446 338 A N 1.613 124.400 122.820 -0.055 0.000 1.903 338 A HA 0.275 4.594 4.320 -0.000 0.000 0.213 338 A C 1.194 178.763 177.584 -0.026 0.000 1.185 338 A CA 0.118 52.156 52.037 0.002 0.000 0.628 338 A CB -0.693 18.332 19.000 0.041 0.000 0.830 338 A HN 0.672 nan 8.150 nan 0.000 0.446 339 I N -2.174 118.372 120.570 -0.040 0.000 2.692 339 I HA 0.193 4.362 4.170 -0.000 0.000 0.284 339 I C -1.513 174.579 176.117 -0.041 0.000 1.159 339 I CA -1.660 59.615 61.300 -0.043 0.000 1.423 339 I CB 0.417 38.401 38.000 -0.027 0.000 1.380 339 I HN -0.032 nan 8.210 nan 0.000 0.580 340 P HA -0.166 nan 4.420 nan 0.000 0.217 340 P C 0.284 177.533 177.300 -0.084 0.000 1.150 340 P CA 1.356 64.384 63.100 -0.120 0.000 0.832 340 P CB -0.261 31.291 31.700 -0.247 0.000 0.787 341 N N -0.157 118.460 118.700 -0.138 0.000 2.758 341 N HA 0.028 4.768 4.740 -0.000 0.000 0.293 341 N C -0.590 174.969 175.510 0.081 0.000 1.273 341 N CA -0.727 52.303 53.050 -0.033 0.000 1.022 341 N CB -1.127 37.335 38.487 -0.042 0.000 1.334 341 N HN 0.064 nan 8.380 nan 0.000 0.519 342 F N 0.373 120.313 119.950 -0.017 0.000 2.384 342 F HA 0.323 4.850 4.527 -0.000 0.000 0.338 342 F C 1.026 176.864 175.800 0.063 0.000 1.103 342 F CA -0.712 57.302 58.000 0.023 0.000 1.157 342 F CB 1.499 40.514 39.000 0.025 0.000 1.167 342 F HN -0.110 nan 8.300 nan 0.000 0.529 343 V N 6.772 126.195 119.914 -0.819 0.000 2.743 343 V HA 0.437 4.557 4.120 -0.000 0.000 0.237 343 V C -0.094 175.468 176.094 -0.887 0.000 1.113 343 V CA 0.765 62.687 62.300 -0.629 0.000 1.141 343 V CB 0.235 31.942 31.823 -0.194 0.000 0.873 343 V HN 0.743 nan 8.190 nan 0.000 0.486 344 I N -1.153 118.840 120.570 -0.961 0.000 2.882 344 I HA 0.381 4.551 4.170 -0.000 0.000 0.298 344 I C -1.490 174.780 176.117 0.256 0.000 1.462 344 I CA -0.880 60.340 61.300 -0.134 0.000 1.000 344 I CB 2.098 40.275 38.000 0.294 0.000 1.340 344 I HN 0.463 nan 8.210 nan 0.000 0.462 345 H N 4.349 123.632 119.070 0.355 0.000 2.472 345 H HA 0.435 4.991 4.556 -0.000 0.000 0.338 345 H C -1.034 174.182 175.328 -0.187 0.000 1.133 345 H CA -0.395 55.794 56.048 0.234 0.000 1.216 345 H CB 1.600 31.532 29.762 0.284 0.000 1.497 345 H HN 0.528 nan 8.280 nan 0.000 0.500 346 E N 4.689 124.436 120.200 -0.754 0.000 2.167 346 E HA 0.264 4.614 4.350 -0.000 0.000 0.284 346 E C -1.499 174.815 176.600 -0.478 0.000 1.016 346 E CA -0.914 54.909 56.400 -0.961 0.000 0.817 346 E CB 0.667 30.020 29.700 -0.577 0.000 1.080 346 E HN 0.458 nan 8.360 nan 0.000 0.397 347 L N 6.352 127.352 121.223 -0.371 0.000 2.319 347 L HA 0.317 4.657 4.340 -0.000 0.000 0.281 347 L C -0.957 175.881 176.870 -0.053 0.000 1.005 347 L CA -0.485 54.344 54.840 -0.018 0.000 0.828 347 L CB 1.048 43.195 42.059 0.148 0.000 1.227 347 L HN 0.620 nan 8.230 nan 0.000 0.415 348 H N 3.657 122.721 119.070 -0.010 0.000 2.505 348 H HA 0.243 4.799 4.556 -0.000 0.000 0.351 348 H C 0.498 175.735 175.328 -0.153 0.000 1.151 348 H CA -0.295 55.751 56.048 -0.004 0.000 1.339 348 H CB 1.650 31.335 29.762 -0.129 0.000 1.483 348 H HN 0.643 nan 8.280 nan 0.000 0.558 349 R N 1.705 122.162 120.500 -0.072 0.000 2.081 349 R HA -0.172 4.168 4.340 -0.000 0.000 0.235 349 R C 1.964 178.053 176.300 -0.351 0.000 1.131 349 R CA 1.754 57.532 56.100 -0.536 0.000 0.960 349 R CB -0.348 29.560 30.300 -0.653 0.000 0.856 349 R HN 0.703 nan 8.270 nan 0.000 0.436 350 Y N -1.213 118.977 120.300 -0.183 0.000 2.333 350 Y HA 0.035 4.585 4.550 -0.000 0.000 0.290 350 Y C 1.903 177.713 175.900 -0.149 0.000 1.144 350 Y CA 0.619 58.580 58.100 -0.230 0.000 1.228 350 Y CB -0.760 37.478 38.460 -0.370 0.000 0.985 350 Y HN 0.011 nan 8.280 nan 0.000 0.542 351 A N 1.313 123.569 122.820 -0.940 0.000 2.070 351 A HA -0.026 4.294 4.320 -0.000 0.000 0.220 351 A C 2.060 179.546 177.584 -0.163 0.000 1.159 351 A CA 1.490 53.196 52.037 -0.552 0.000 0.656 351 A CB -1.018 17.708 19.000 -0.456 0.000 0.800 351 A HN 0.612 nan 8.150 nan 0.000 0.453 352 L N -0.770 120.356 121.223 -0.162 0.000 2.492 352 L HA 0.166 4.506 4.340 -0.000 0.000 0.223 352 L C 0.251 177.079 176.870 -0.070 0.000 1.132 352 L CA -0.084 54.706 54.840 -0.084 0.000 0.850 352 L CB -0.320 41.672 42.059 -0.112 0.000 0.966 352 L HN 0.254 nan 8.230 nan 0.000 0.454 353 L N -0.885 120.293 121.223 -0.076 0.000 2.344 353 L HA 0.222 4.562 4.340 -0.000 0.000 0.272 353 L C 1.459 178.313 176.870 -0.028 0.000 1.035 353 L CA -0.634 54.169 54.840 -0.063 0.000 0.807 353 L CB 1.086 43.097 42.059 -0.080 0.000 1.237 353 L HN -0.030 nan 8.230 nan 0.000 0.442 354 E N 1.481 121.663 120.200 -0.030 0.000 2.065 354 E HA -0.216 4.134 4.350 -0.000 0.000 0.201 354 E C -0.777 175.823 176.600 0.000 0.000 1.016 354 E CA 1.782 58.172 56.400 -0.016 0.000 0.818 354 E CB -1.118 28.569 29.700 -0.023 0.000 0.749 354 E HN 0.607 nan 8.360 nan 0.000 0.453 355 P HA -0.121 nan 4.420 nan 0.000 0.219 355 P C 1.041 178.375 177.300 0.056 0.000 1.146 355 P CA 1.351 64.458 63.100 0.012 0.000 0.808 355 P CB -0.023 31.666 31.700 -0.018 0.000 0.779 356 N N -1.175 117.568 118.700 0.072 0.000 2.197 356 N HA -0.107 4.633 4.740 -0.000 0.000 0.184 356 N C 1.663 177.246 175.510 0.122 0.000 1.030 356 N CA 1.971 55.112 53.050 0.152 0.000 0.851 356 N CB -0.841 37.774 38.487 0.213 0.000 1.003 356 N HN 0.026 nan 8.380 nan 0.000 0.430 357 T N -1.241 113.356 114.554 0.072 0.000 2.867 357 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 357 T C 1.718 176.434 174.700 0.026 0.000 1.057 357 T CA 1.401 63.532 62.100 0.051 0.000 1.136 357 T CB -0.650 68.233 68.868 0.024 0.000 0.874 357 T HN 0.525 nan 8.240 nan 0.000 0.466 358 Q N 1.795 121.607 119.800 0.020 0.000 2.364 358 Q HA -0.123 4.217 4.340 -0.000 0.000 0.207 358 Q C 2.132 178.134 176.000 0.004 0.000 0.970 358 Q CA 1.722 57.525 55.803 -0.000 0.000 0.888 358 Q CB -1.048 27.689 28.738 -0.001 0.000 0.951 358 Q HN 0.726 nan 8.270 nan 0.000 0.469 359 T N -2.347 112.228 114.554 0.035 0.000 2.929 359 T HA -0.003 4.346 4.350 -0.000 0.000 0.271 359 T C 0.950 175.653 174.700 0.004 0.000 1.085 359 T CA 0.576 62.700 62.100 0.041 0.000 1.125 359 T CB -0.297 68.624 68.868 0.089 0.000 0.874 359 T HN 0.304 nan 8.240 nan 0.000 0.494 360 C N 0.369 119.659 119.300 -0.016 0.000 2.719 360 C HA 0.543 5.003 4.460 -0.000 0.000 0.327 360 C C 1.702 176.597 174.990 -0.158 0.000 1.238 360 C CA -1.046 57.931 59.018 -0.068 0.000 1.727 360 C CB 2.247 29.986 27.740 -0.001 0.000 2.256 360 C HN 0.371 nan 8.230 nan 0.000 0.489 361 K N -0.327 119.896 120.400 -0.296 0.000 2.167 361 K HA 0.015 4.335 4.320 -0.000 0.000 0.203 361 K C -0.622 175.543 176.600 -0.726 0.000 1.052 361 K CA 1.457 57.392 56.287 -0.586 0.000 0.956 361 K CB 0.059 32.013 32.500 -0.910 0.000 0.735 361 K HN 0.588 nan 8.250 nan 0.000 0.451 362 Y N -0.413 119.805 120.300 -0.136 0.000 2.485 362 Y HA 0.305 4.855 4.550 -0.000 0.000 0.345 362 Y C -0.241 175.424 175.900 -0.393 0.000 0.998 362 Y CA -1.607 56.317 58.100 -0.295 0.000 1.059 362 Y CB 1.161 39.403 38.460 -0.363 0.000 1.234 362 Y HN -0.199 nan 8.280 nan 0.000 0.461 363 N N 1.966 120.477 118.700 -0.314 0.000 2.706 363 N HA 0.221 4.961 4.740 -0.000 0.000 0.240 363 N C -2.064 173.280 175.510 -0.277 0.000 1.039 363 N CA -0.723 52.197 53.050 -0.216 0.000 0.888 363 N CB 0.016 38.445 38.487 -0.096 0.000 1.128 363 N HN 0.451 nan 8.380 nan 0.000 0.512 364 Y N 3.016 123.392 120.300 0.128 0.000 2.383 364 Y HA 0.430 4.980 4.550 -0.000 0.000 0.344 364 Y C 0.288 176.319 175.900 0.220 0.000 0.986 364 Y CA -0.515 57.673 58.100 0.147 0.000 1.175 364 Y CB 0.832 39.366 38.460 0.123 0.000 1.152 364 Y HN 0.188 nan 8.280 nan 0.000 0.511 365 L N 6.185 127.557 121.223 0.248 0.000 2.354 365 L HA 0.620 4.960 4.340 -0.000 0.000 0.269 365 L C -2.235 174.554 176.870 -0.136 0.000 1.005 365 L CA -2.274 52.618 54.840 0.086 0.000 0.819 365 L CB 2.374 44.446 42.059 0.022 0.000 1.311 365 L HN 0.403 nan 8.230 nan 0.000 0.423 366 P HA 0.295 nan 4.420 nan 0.000 0.276 366 P C -1.404 175.735 177.300 -0.268 0.000 1.252 366 P CA -0.590 62.130 63.100 -0.634 0.000 0.802 366 P CB 1.342 32.567 31.700 -0.791 0.000 1.035 367 K N 1.376 121.640 120.400 -0.226 0.000 2.507 367 K HA 0.307 4.627 4.320 -0.000 0.000 0.251 367 K C -0.382 176.098 176.600 -0.200 0.000 0.943 367 K CA -0.442 55.745 56.287 -0.168 0.000 0.794 367 K CB 0.476 32.912 32.500 -0.105 0.000 1.188 367 K HN 0.333 nan 8.250 nan 0.000 0.428 368 N N 2.373 120.925 118.700 -0.247 0.000 2.740 368 N HA -0.213 4.527 4.740 -0.000 0.000 0.248 368 N C 0.361 175.659 175.510 -0.353 0.000 1.062 368 N CA 1.497 54.379 53.050 -0.281 0.000 0.704 368 N CB -1.077 37.310 38.487 -0.167 0.000 0.968 368 N HN 1.062 nan 8.380 nan 0.000 0.547 369 G N -1.693 106.772 108.800 -0.557 0.000 2.148 369 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.254 369 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.254 369 G C -0.018 174.808 174.900 -0.123 0.000 0.981 369 G CA 0.818 45.655 45.100 -0.438 0.000 0.670 369 G HN 0.363 nan 8.290 nan 0.000 0.528 370 M N -0.565 118.944 119.600 -0.151 0.000 2.395 370 M HA 0.543 5.023 4.480 -0.000 0.000 0.307 370 M C -0.491 175.735 176.300 -0.123 0.000 1.091 370 M CA -0.985 54.274 55.300 -0.068 0.000 0.919 370 M CB 1.751 34.321 32.600 -0.051 0.000 1.662 370 M HN 0.090 nan 8.290 nan 0.000 0.440 371 Y N 0.599 120.845 120.300 -0.090 0.000 2.453 371 Y HA 0.390 4.939 4.550 -0.000 0.000 0.326 371 Y C 0.402 176.211 175.900 -0.150 0.000 1.186 371 Y CA -0.299 57.719 58.100 -0.137 0.000 1.200 371 Y CB 1.585 39.891 38.460 -0.258 0.000 1.247 371 Y HN 0.578 nan 8.280 nan 0.000 0.482 372 E N 0.332 120.580 120.200 0.080 0.000 2.263 372 E HA 0.399 4.749 4.350 -0.000 0.000 0.264 372 E C -1.482 175.019 176.600 -0.164 0.000 0.923 372 E CA -1.127 55.237 56.400 -0.060 0.000 0.802 372 E CB 2.733 32.407 29.700 -0.044 0.000 1.228 372 E HN 0.283 nan 8.360 nan 0.000 0.417 373 V N 2.855 122.590 119.914 -0.298 0.000 2.686 373 V HA 0.177 4.297 4.120 -0.000 0.000 0.295 373 V C -2.207 173.643 176.094 -0.407 0.000 1.055 373 V CA -1.748 60.273 62.300 -0.466 0.000 1.050 373 V CB 0.879 32.359 31.823 -0.572 0.000 0.984 373 V HN 0.536 nan 8.190 nan 0.000 0.482 374 P HA 0.136 nan 4.420 nan 0.000 0.268 374 P C -0.113 177.199 177.300 0.021 0.000 1.208 374 P CA 0.195 63.043 63.100 -0.419 0.000 0.777 374 P CB 0.389 31.730 31.700 -0.598 0.000 0.875 375 E N 0.525 120.776 120.200 0.085 0.000 2.601 375 E HA 0.166 4.516 4.350 -0.000 0.000 0.219 375 E C 0.502 177.156 176.600 0.089 0.000 0.964 375 E CA -0.032 56.462 56.400 0.157 0.000 1.050 375 E CB 0.259 30.033 29.700 0.122 0.000 1.068 375 E HN 0.386 nan 8.360 nan 0.000 0.496 376 L N 2.183 123.432 121.223 0.043 0.000 2.466 376 L HA 0.211 4.551 4.340 -0.000 0.000 0.257 376 L C -2.075 174.802 176.870 0.011 0.000 1.189 376 L CA -1.740 53.096 54.840 -0.007 0.000 0.813 376 L CB -0.127 41.867 42.059 -0.109 0.000 1.118 376 L HN -0.244 nan 8.230 nan 0.000 0.471 377 P HA 0.054 nan 4.420 nan 0.000 0.266 377 P C 0.326 177.623 177.300 -0.004 0.000 1.193 377 P CA 0.847 63.951 63.100 0.006 0.000 0.770 377 P CB 0.480 32.194 31.700 0.023 0.000 0.836 378 G N 2.538 111.315 108.800 -0.038 0.000 2.552 378 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.265 378 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.265 378 G C 0.879 175.713 174.900 -0.111 0.000 1.234 378 G CA 0.233 45.304 45.100 -0.048 0.000 0.944 378 G HN 0.647 nan 8.290 nan 0.000 0.568 379 I N -0.684 119.863 120.570 -0.038 0.000 3.111 379 I HA 0.419 4.589 4.170 -0.000 0.000 0.272 379 I C 1.844 178.056 176.117 0.158 0.000 1.268 379 I CA 1.274 62.556 61.300 -0.029 0.000 1.467 379 I CB -0.366 37.679 38.000 0.075 0.000 1.087 379 I HN 2.405 nan 8.210 nan 0.000 0.467 380 G N 1.146 110.018 108.800 0.119 0.000 2.176 380 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.252 380 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.252 380 G C -0.137 174.910 174.900 0.246 0.000 1.024 380 G CA 0.573 45.741 45.100 0.113 0.000 0.755 380 G HN 0.676 nan 8.290 nan 0.000 0.507 381 Q N -0.524 119.431 119.800 0.258 0.000 2.353 381 Q HA 0.684 5.024 4.340 -0.000 0.000 0.275 381 Q C -0.949 175.067 176.000 0.026 0.000 1.029 381 Q CA -0.494 55.484 55.803 0.292 0.000 0.848 381 Q CB 1.498 30.400 28.738 0.273 0.000 1.390 381 Q HN 0.446 nan 8.270 nan 0.000 0.401 382 E N 2.016 122.117 120.200 -0.165 0.000 2.375 382 E HA 0.384 4.734 4.350 -0.000 0.000 0.280 382 E C -0.901 175.373 176.600 -0.542 0.000 0.972 382 E CA -0.782 55.137 56.400 -0.802 0.000 0.782 382 E CB 1.673 30.912 29.700 -0.768 0.000 1.229 382 E HN 0.530 nan 8.360 nan 0.000 0.439 383 L N 1.813 122.686 121.223 -0.583 0.000 2.461 383 L HA 0.139 4.479 4.340 -0.000 0.000 0.272 383 L C 1.057 177.832 176.870 -0.158 0.000 1.197 383 L CA 0.009 54.753 54.840 -0.160 0.000 0.836 383 L CB 0.069 42.179 42.059 0.084 0.000 1.105 383 L HN 0.670 nan 8.230 nan 0.000 0.477 384 T N -1.846 112.649 114.554 -0.099 0.000 2.860 384 T HA 0.050 4.400 4.350 -0.000 0.000 0.299 384 T C 1.003 175.692 174.700 -0.020 0.000 1.045 384 T CA -0.773 61.275 62.100 -0.086 0.000 1.071 384 T CB 1.117 69.940 68.868 -0.075 0.000 0.985 384 T HN 0.533 nan 8.240 nan 0.000 0.537 385 E N 0.620 120.812 120.200 -0.014 0.000 2.110 385 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 385 E C 1.899 178.509 176.600 0.017 0.000 0.988 385 E CA 1.408 57.819 56.400 0.018 0.000 0.804 385 E CB -0.169 29.538 29.700 0.011 0.000 0.745 385 E HN 0.961 nan 8.360 nan 0.000 0.458 386 E N 0.042 120.243 120.200 0.002 0.000 2.106 386 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 386 E C 1.769 178.376 176.600 0.013 0.000 0.984 386 E CA 1.334 57.736 56.400 0.004 0.000 0.806 386 E CB 0.161 29.857 29.700 -0.006 0.000 0.750 386 E HN 0.065 nan 8.360 nan 0.000 0.458 387 T N 0.830 115.394 114.554 0.016 0.000 2.737 387 T HA -0.124 4.226 4.350 -0.000 0.000 0.265 387 T C 1.833 176.558 174.700 0.041 0.000 1.038 387 T CA 1.419 63.537 62.100 0.029 0.000 1.144 387 T CB -0.111 68.777 68.868 0.034 0.000 0.866 387 T HN 0.211 nan 8.240 nan 0.000 0.434 388 M N 0.423 120.055 119.600 0.054 0.000 2.159 388 M HA -0.091 4.389 4.480 -0.000 0.000 0.263 388 M C 2.369 178.694 176.300 0.041 0.000 1.063 388 M CA 1.470 56.809 55.300 0.064 0.000 1.110 388 M CB -0.337 32.319 32.600 0.094 0.000 1.374 388 M HN 0.069 nan 8.290 nan 0.000 0.411 389 K N 1.222 121.641 120.400 0.032 0.000 2.063 389 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 389 K C 1.613 178.223 176.600 0.018 0.000 1.048 389 K CA 1.527 57.826 56.287 0.021 0.000 0.928 389 K CB -0.016 32.493 32.500 0.016 0.000 0.713 389 K HN 0.394 nan 8.250 nan 0.000 0.442 390 K N -1.215 119.196 120.400 0.019 0.000 2.372 390 K HA 0.218 4.538 4.320 -0.000 0.000 0.200 390 K C -0.439 176.171 176.600 0.017 0.000 1.022 390 K CA -0.117 56.179 56.287 0.016 0.000 1.125 390 K CB 1.067 33.576 32.500 0.014 0.000 0.855 390 K HN -0.206 nan 8.250 nan 0.000 0.524 391 S N 3.222 118.935 115.700 0.021 0.000 2.429 391 S HA 0.330 4.800 4.470 -0.000 0.000 0.302 391 S C -2.537 172.071 174.600 0.012 0.000 1.115 391 S CA -1.329 56.883 58.200 0.020 0.000 1.095 391 S CB 1.209 64.427 63.200 0.031 0.000 0.987 391 S HN 0.088 nan 8.310 nan 0.000 0.474 392 P HA 0.144 nan 4.420 nan 0.000 0.262 392 P C -0.731 176.566 177.300 -0.004 0.000 1.182 392 P CA 0.188 63.287 63.100 -0.001 0.000 0.761 392 P CB 0.322 32.019 31.700 -0.005 0.000 0.795 393 T N 4.105 118.655 114.554 -0.006 0.000 2.928 393 T HA 0.495 4.845 4.350 -0.000 0.000 0.296 393 T C 0.008 174.698 174.700 -0.016 0.000 1.000 393 T CA -0.405 61.689 62.100 -0.010 0.000 0.989 393 T CB 0.656 69.521 68.868 -0.005 0.000 1.005 393 T HN 0.143 nan 8.240 nan 0.000 0.442 394 I N 2.395 122.952 120.570 -0.022 0.000 2.428 394 I HA 0.434 4.604 4.170 -0.000 0.000 0.296 394 I C 0.301 176.401 176.117 -0.029 0.000 0.985 394 I CA -0.536 60.748 61.300 -0.025 0.000 1.260 394 I CB 1.548 39.530 38.000 -0.029 0.000 1.389 394 I HN 0.463 nan 8.210 nan 0.000 0.484 395 T N 5.262 119.799 114.554 -0.027 0.000 2.812 395 T HA 0.437 4.787 4.350 -0.000 0.000 0.282 395 T C -0.377 174.305 174.700 -0.030 0.000 0.990 395 T CA -0.437 61.645 62.100 -0.031 0.000 0.960 395 T CB 1.719 70.570 68.868 -0.027 0.000 0.948 395 T HN 0.179 nan 8.240 nan 0.000 0.438 396 V N 5.844 125.737 119.914 -0.035 0.000 2.398 396 V HA 0.632 4.752 4.120 -0.000 0.000 0.286 396 V C 0.138 176.213 176.094 -0.031 0.000 1.026 396 V CA -0.635 61.645 62.300 -0.032 0.000 0.868 396 V CB 1.101 32.902 31.823 -0.036 0.000 0.982 396 V HN 0.862 nan 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