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 1vg9_1_A DATA FIRST_RESID 2 DATA SEQUENCE ADNLPSDFDV IVIGTGLPES IIAAACSRSG QRVLHVDSRS YYGGNWASFS DATA SEQUENCE FSGLLSWLKE YQXXXXXXXX XXMWQEQILE NEEAIPLSSK DKTIQHVEVF DATA SEQUENCE CYASQDXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXNR ITYSQIIKEG RRFNIDLVSK LLYSRGLLID LLIKSNVSRY DATA SEQUENCE AEFKNITRIL AFREGTVEQV PCSRADVFNS KQLTMVEKRM LMKFLTFCVE DATA SEQUENCE YEEHPDEYRA YEGTTFSEYL KTQKLTPNLQ YFVLHSIAMT SETTSCTVDG DATA SEQUENCE LKATKKFLQC LGRYGNTPFL FPLYGQGELP QCFCRMCAVF GGIYCLRHSV DATA SEQUENCE QCLVVDKESR KCKAVIDQFG QRIISKHFII EDSYLSENTC SRVQYRQISR DATA SEQUENCE AVLITDGSVL RTDADQQVSI LTVPAEEPGS FAVRVIELCS STMTCMKGTY DATA SEQUENCE LVHLTCMSSK TAREDLERVV QKLFTPYTEI EAENEQVEKP RLLWALYFNM DATA SEQUENCE RDSSDISRDC YNDLPSNVYV CSGPDSGLGN DNAVKQAETL FQQICPNEDF DATA SEQUENCE CPAPPNPEDI VLD 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.588 177.584 0.007 0.000 1.274 2 A CA 0.000 52.037 52.037 0.000 0.000 0.836 2 A CB 0.000 19.000 19.000 0.000 0.000 0.831 3 D N -0.453 119.956 120.400 0.015 0.000 3.041 3 D HA -0.185 4.455 4.640 0.001 0.000 0.214 3 D C 0.171 176.487 176.300 0.026 0.000 1.153 3 D CA 1.585 55.598 54.000 0.022 0.000 0.972 3 D CB -0.636 40.173 40.800 0.015 0.000 1.126 3 D HN 0.582 nan 8.370 nan 0.000 0.400 4 N N 0.603 119.317 118.700 0.023 0.000 2.455 4 N HA 0.186 4.927 4.740 0.001 0.000 0.280 4 N C -0.235 175.305 175.510 0.050 0.000 1.055 4 N CA -0.502 52.564 53.050 0.027 0.000 0.961 4 N CB 0.842 39.339 38.487 0.016 0.000 1.121 4 N HN 0.049 nan 8.380 nan 0.000 0.476 5 L N 5.825 127.097 121.223 0.081 0.000 2.559 5 L HA 0.189 4.529 4.340 0.001 0.000 0.274 5 L C -2.061 174.875 176.870 0.109 0.000 1.205 5 L CA -0.603 54.313 54.840 0.127 0.000 0.907 5 L CB -0.149 42.010 42.059 0.168 0.000 1.153 5 L HN 0.520 nan 8.230 nan 0.000 0.490 6 P HA 0.108 nan 4.420 nan 0.000 0.269 6 P C -0.157 177.144 177.300 0.002 0.000 1.215 6 P CA 0.064 63.124 63.100 -0.067 0.000 0.780 6 P CB 0.593 32.079 31.700 -0.357 0.000 0.898 7 S N -0.200 115.471 115.700 -0.049 0.000 2.577 7 S HA 0.109 4.579 4.470 0.001 0.000 0.219 7 S C -0.037 174.568 174.600 0.008 0.000 0.962 7 S CA 0.054 58.269 58.200 0.025 0.000 0.921 7 S CB -0.781 62.434 63.200 0.025 0.000 0.789 7 S HN 0.717 nan 8.310 nan 0.000 0.497 8 D N -1.037 119.278 120.400 -0.142 0.000 2.717 8 D HA 0.588 5.228 4.640 0.001 0.000 0.223 8 D C -0.972 175.097 176.300 -0.386 0.000 1.240 8 D CA -0.649 53.285 54.000 -0.110 0.000 0.801 8 D CB 0.718 41.464 40.800 -0.090 0.000 1.556 8 D HN -0.050 nan 8.370 nan 0.000 0.462 9 F N -0.084 119.824 119.950 -0.070 0.000 2.754 9 F HA 0.362 4.890 4.527 0.001 0.000 0.320 9 F C 0.464 176.205 175.800 -0.098 0.000 1.156 9 F CA -0.810 57.142 58.000 -0.080 0.000 0.950 9 F CB 1.759 40.694 39.000 -0.108 0.000 1.388 9 F HN 0.272 nan 8.300 nan 0.000 0.485 10 D N -0.217 120.277 120.400 0.156 0.000 2.259 10 D HA 0.164 4.804 4.640 0.001 0.000 0.216 10 D C -0.228 176.101 176.300 0.049 0.000 0.961 10 D CA 1.372 55.419 54.000 0.078 0.000 0.878 10 D CB 0.625 41.486 40.800 0.101 0.000 1.009 10 D HN 0.006 nan 8.370 nan 0.000 0.490 11 V N 1.465 121.394 119.914 0.025 0.000 2.709 11 V HA 0.412 4.533 4.120 0.001 0.000 0.308 11 V C -0.339 175.620 176.094 -0.226 0.000 1.062 11 V CA -0.726 61.524 62.300 -0.082 0.000 0.901 11 V CB 2.877 34.673 31.823 -0.045 0.000 1.003 11 V HN -0.080 nan 8.190 nan 0.000 0.425 12 I N 4.041 124.415 120.570 -0.326 0.000 2.436 12 I HA 0.550 4.720 4.170 0.001 0.000 0.289 12 I C -0.920 175.059 176.117 -0.231 0.000 1.010 12 I CA -0.787 60.303 61.300 -0.350 0.000 1.098 12 I CB 2.153 39.932 38.000 -0.369 0.000 1.266 12 I HN 0.298 nan 8.210 nan 0.000 0.434 13 V N 7.445 127.214 119.914 -0.243 0.000 2.448 13 V HA 0.472 4.592 4.120 0.001 0.000 0.295 13 V C -0.071 175.978 176.094 -0.075 0.000 1.025 13 V CA -0.497 61.692 62.300 -0.185 0.000 0.859 13 V CB 2.097 33.664 31.823 -0.426 0.000 0.988 13 V HN 0.470 nan 8.190 nan 0.000 0.431 14 I N 4.340 124.853 120.570 -0.095 0.000 2.359 14 I HA 0.754 4.924 4.170 0.001 0.000 0.284 14 I C 0.543 176.510 176.117 -0.250 0.000 1.018 14 I CA -0.159 60.995 61.300 -0.244 0.000 1.173 14 I CB 1.420 39.187 38.000 -0.387 0.000 1.326 14 I HN 0.894 nan 8.210 nan 0.000 0.462 15 G N 3.181 111.906 108.800 -0.126 0.000 3.055 15 G HA2 -0.092 3.869 3.960 0.001 0.000 0.685 15 G HA3 -0.092 3.869 3.960 0.001 0.000 0.685 15 G C -0.122 174.926 174.900 0.246 0.000 1.212 15 G CA -0.366 44.812 45.100 0.130 0.000 0.822 15 G HN 0.684 nan 8.290 nan 0.000 0.610 16 T N 0.028 114.695 114.554 0.187 0.000 3.258 16 T HA 0.614 4.965 4.350 0.001 0.000 0.259 16 T C 1.239 176.074 174.700 0.224 0.000 0.963 16 T CA 0.812 63.026 62.100 0.189 0.000 0.919 16 T CB 0.576 69.481 68.868 0.063 0.000 1.110 16 T HN 1.711 nan 8.240 nan 0.000 0.550 17 G N 0.947 109.878 108.800 0.218 0.000 2.634 17 G HA2 0.426 4.387 3.960 0.001 0.000 0.255 17 G HA3 0.426 4.387 3.960 0.001 0.000 0.255 17 G C 0.838 175.551 174.900 -0.313 0.000 1.205 17 G CA -0.679 44.477 45.100 0.095 0.000 0.884 17 G HN 0.308 nan 8.290 nan 0.000 0.549 18 L N 1.490 122.070 121.223 -1.071 0.000 1.990 18 L HA -0.033 4.307 4.340 0.001 0.000 0.213 18 L C 0.082 176.597 176.870 -0.592 0.000 1.072 18 L CA 2.363 56.655 54.840 -0.913 0.000 0.755 18 L CB -1.005 40.147 42.059 -1.511 0.000 0.889 18 L HN 0.392 nan 8.230 nan 0.000 0.432 19 P HA -0.179 nan 4.420 nan 0.000 0.214 19 P C 1.328 178.538 177.300 -0.150 0.000 1.163 19 P CA 1.719 64.672 63.100 -0.246 0.000 0.889 19 P CB -0.037 31.618 31.700 -0.076 0.000 0.790 20 E N -0.113 120.045 120.200 -0.069 0.000 2.085 20 E HA -0.191 4.159 4.350 0.001 0.000 0.194 20 E C 2.197 178.781 176.600 -0.028 0.000 0.994 20 E CA 2.021 58.415 56.400 -0.010 0.000 0.801 20 E CB -0.959 28.821 29.700 0.133 0.000 0.743 20 E HN 0.344 nan 8.360 nan 0.000 0.453 21 S N 0.407 116.148 115.700 0.068 0.000 2.368 21 S HA -0.115 4.355 4.470 0.001 0.000 0.224 21 S C 2.121 176.733 174.600 0.019 0.000 1.029 21 S CA 0.763 59.078 58.200 0.192 0.000 0.988 21 S CB -0.498 62.865 63.200 0.272 0.000 0.838 21 S HN 0.193 nan 8.310 nan 0.000 0.462 22 I N 1.060 121.486 120.570 -0.239 0.000 2.163 22 I HA -0.136 4.034 4.170 0.001 0.000 0.243 22 I C 2.529 178.554 176.117 -0.154 0.000 1.085 22 I CA 1.423 62.467 61.300 -0.428 0.000 1.347 22 I CB -0.423 37.184 38.000 -0.654 0.000 1.044 22 I HN 0.311 nan 8.210 nan 0.000 0.408 23 I N 1.133 121.653 120.570 -0.083 0.000 2.286 23 I HA -0.240 3.930 4.170 0.001 0.000 0.248 23 I C 2.453 178.545 176.117 -0.040 0.000 1.115 23 I CA 1.638 62.936 61.300 -0.004 0.000 1.392 23 I CB -0.444 37.548 38.000 -0.013 0.000 1.065 23 I HN 0.143 nan 8.210 nan 0.000 0.418 24 A N 0.466 123.219 122.820 -0.113 0.000 1.933 24 A HA -0.043 4.278 4.320 0.001 0.000 0.218 24 A C 2.505 180.081 177.584 -0.012 0.000 1.175 24 A CA 1.700 53.653 52.037 -0.140 0.000 0.628 24 A CB -1.265 17.530 19.000 -0.340 0.000 0.814 24 A HN 0.544 nan 8.150 nan 0.000 0.444 25 A N -0.002 122.837 122.820 0.033 0.000 1.877 25 A HA 0.156 4.477 4.320 0.001 0.000 0.216 25 A C 2.535 180.058 177.584 -0.102 0.000 1.186 25 A CA 2.151 54.219 52.037 0.051 0.000 0.620 25 A CB -1.115 17.979 19.000 0.156 0.000 0.822 25 A HN 1.049 nan 8.150 nan 0.000 0.443 26 A N -0.799 121.898 122.820 -0.206 0.000 1.883 26 A HA -0.207 4.113 4.320 0.001 0.000 0.217 26 A C 2.350 179.889 177.584 -0.074 0.000 1.186 26 A CA 1.824 53.622 52.037 -0.398 0.000 0.624 26 A CB -1.386 17.267 19.000 -0.578 0.000 0.822 26 A HN 0.623 nan 8.150 nan 0.000 0.444 27 C N -1.366 117.998 119.300 0.105 0.000 2.432 27 C HA -0.063 4.397 4.460 0.001 0.000 0.277 27 C C 3.299 178.332 174.990 0.072 0.000 1.249 27 C CA 1.370 60.486 59.018 0.163 0.000 1.725 27 C CB -1.206 26.574 27.740 0.066 0.000 2.028 27 C HN 0.683 nan 8.230 nan 0.000 0.477 28 S N 0.357 116.078 115.700 0.035 0.000 2.356 28 S HA -0.208 4.262 4.470 0.001 0.000 0.223 28 S C 2.117 176.709 174.600 -0.014 0.000 1.032 28 S CA 1.851 60.090 58.200 0.065 0.000 1.005 28 S CB -0.359 62.920 63.200 0.131 0.000 0.867 28 S HN 0.551 nan 8.310 nan 0.000 0.449 29 R N 1.610 121.986 120.500 -0.206 0.000 2.105 29 R HA -0.046 4.294 4.340 0.001 0.000 0.239 29 R C 2.407 178.530 176.300 -0.295 0.000 1.135 29 R CA 2.340 58.101 56.100 -0.566 0.000 0.967 29 R CB -0.991 28.925 30.300 -0.640 0.000 0.861 29 R HN 0.540 nan 8.270 nan 0.000 0.442 30 S N -1.914 113.735 115.700 -0.086 0.000 2.481 30 S HA 0.111 4.581 4.470 0.001 0.000 0.231 30 S C 1.365 175.984 174.600 0.032 0.000 0.996 30 S CA 0.785 59.004 58.200 0.032 0.000 0.942 30 S CB 0.129 63.464 63.200 0.225 0.000 0.768 30 S HN 0.646 nan 8.310 nan 0.000 0.520 31 G N -0.267 108.555 108.800 0.036 0.000 2.205 31 G HA2 -0.124 3.837 3.960 0.001 0.000 0.180 31 G HA3 -0.124 3.837 3.960 0.001 0.000 0.180 31 G C -0.248 174.691 174.900 0.066 0.000 1.004 31 G CA -0.346 44.790 45.100 0.060 0.000 0.670 31 G HN 0.458 nan 8.290 nan 0.000 0.496 32 Q N 0.631 120.471 119.800 0.067 0.000 2.327 32 Q HA 0.383 4.724 4.340 0.001 0.000 0.254 32 Q C 0.474 176.532 176.000 0.096 0.000 0.952 32 Q CA -0.086 55.760 55.803 0.071 0.000 0.884 32 Q CB 0.886 29.659 28.738 0.058 0.000 1.224 32 Q HN 0.451 nan 8.270 nan 0.000 0.422 33 R N 1.031 121.600 120.500 0.115 0.000 2.248 33 R HA 0.309 4.649 4.340 0.001 0.000 0.328 33 R C -0.471 175.982 176.300 0.254 0.000 1.067 33 R CA -0.205 56.007 56.100 0.188 0.000 0.924 33 R CB 0.478 30.866 30.300 0.146 0.000 1.013 33 R HN 0.247 nan 8.270 nan 0.000 0.454 34 V N 5.043 125.058 119.914 0.169 0.000 2.513 34 V HA 0.335 4.455 4.120 0.001 0.000 0.299 34 V C -0.598 175.295 176.094 -0.335 0.000 1.035 34 V CA -0.934 61.334 62.300 -0.054 0.000 0.889 34 V CB 1.782 33.555 31.823 -0.084 0.000 0.988 34 V HN 0.467 nan 8.190 nan 0.000 0.440 35 L N 4.288 125.074 121.223 -0.727 0.000 2.325 35 L HA 0.555 4.896 4.340 0.001 0.000 0.281 35 L C -0.653 175.878 176.870 -0.565 0.000 1.004 35 L CA 0.019 54.261 54.840 -0.998 0.000 0.823 35 L CB 1.189 42.238 42.059 -1.683 0.000 1.236 35 L HN 0.779 nan 8.230 nan 0.000 0.415 36 H N 5.107 123.767 119.070 -0.682 0.000 2.762 36 H HA 0.649 5.205 4.556 0.001 0.000 0.310 36 H C -0.876 174.187 175.328 -0.443 0.000 1.004 36 H CA -0.847 54.852 56.048 -0.581 0.000 1.267 36 H CB 1.314 30.572 29.762 -0.840 0.000 1.437 36 H HN 0.640 nan 8.280 nan 0.000 0.498 37 V N 1.709 121.521 119.914 -0.170 0.000 3.177 37 V HA 0.624 4.745 4.120 0.001 0.000 0.319 37 V C -0.485 175.504 176.094 -0.175 0.000 1.125 37 V CA -0.685 61.489 62.300 -0.209 0.000 1.029 37 V CB 2.200 33.881 31.823 -0.237 0.000 1.119 37 V HN 0.781 nan 8.190 nan 0.000 0.452 38 D N -0.460 119.860 120.400 -0.133 0.000 2.663 38 D HA 0.351 4.992 4.640 0.001 0.000 0.233 38 D C 0.162 176.460 176.300 -0.003 0.000 1.240 38 D CA -0.260 53.693 54.000 -0.077 0.000 0.774 38 D CB 2.610 43.323 40.800 -0.146 0.000 1.443 38 D HN 0.510 nan 8.370 nan 0.000 0.441 39 S N 0.440 116.208 115.700 0.114 0.000 2.478 39 S HA 0.097 4.567 4.470 0.001 0.000 0.222 39 S C 0.919 175.498 174.600 -0.035 0.000 1.008 39 S CA 0.030 58.276 58.200 0.078 0.000 0.928 39 S CB 0.257 63.563 63.200 0.177 0.000 0.781 39 S HN 0.292 nan 8.310 nan 0.000 0.518 40 R N 1.812 122.235 120.500 -0.128 0.000 2.652 40 R HA 0.239 4.579 4.340 0.001 0.000 0.271 40 R C 1.209 177.306 176.300 -0.337 0.000 1.129 40 R CA 0.073 55.968 56.100 -0.341 0.000 1.200 40 R CB -0.289 29.549 30.300 -0.771 0.000 1.146 40 R HN 0.301 nan 8.270 nan 0.000 0.581 41 S N -1.153 114.343 115.700 -0.340 0.000 2.577 41 S HA 0.120 4.591 4.470 0.001 0.000 0.219 41 S C -0.074 174.492 174.600 -0.056 0.000 0.962 41 S CA -0.385 57.743 58.200 -0.119 0.000 0.921 41 S CB -0.387 62.839 63.200 0.042 0.000 0.789 41 S HN 0.566 nan 8.310 nan 0.000 0.497 42 Y N -2.148 118.142 120.300 -0.018 0.000 2.615 42 Y HA 0.771 5.322 4.550 0.001 0.000 0.341 42 Y C -0.928 174.912 175.900 -0.102 0.000 1.089 42 Y CA -2.723 55.362 58.100 -0.026 0.000 1.049 42 Y CB 0.200 38.670 38.460 0.018 0.000 1.296 42 Y HN -0.051 nan 8.280 nan 0.000 0.470 43 Y N 0.516 120.922 120.300 0.177 0.000 2.307 43 Y HA 0.515 5.065 4.550 0.001 0.000 0.324 43 Y C 1.280 177.293 175.900 0.188 0.000 1.238 43 Y CA 1.140 59.300 58.100 0.100 0.000 1.280 43 Y CB 1.537 40.000 38.460 0.004 0.000 1.248 43 Y HN 1.036 nan 8.280 nan 0.000 0.508 44 G N -0.119 108.881 108.800 0.334 0.000 2.436 44 G HA2 0.012 3.973 3.960 0.001 0.000 0.204 44 G HA3 0.012 3.973 3.960 0.001 0.000 0.204 44 G C 0.810 175.946 174.900 0.393 0.000 1.026 44 G CA 0.033 45.325 45.100 0.321 0.000 0.658 44 G HN 1.656 nan 8.290 nan 0.000 0.499 45 G N 1.068 110.098 108.800 0.383 0.000 2.591 45 G HA2 -0.368 3.593 3.960 0.001 0.000 0.298 45 G HA3 -0.368 3.593 3.960 0.001 0.000 0.298 45 G C 0.626 175.765 174.900 0.398 0.000 1.195 45 G CA 0.998 46.332 45.100 0.391 0.000 0.989 45 G HN 1.276 nan 8.290 nan 0.000 0.551 46 N N 0.886 119.793 118.700 0.345 0.000 2.449 46 N HA 0.115 4.856 4.740 0.001 0.000 0.191 46 N C 0.926 176.432 175.510 -0.006 0.000 1.161 46 N CA 0.725 53.871 53.050 0.159 0.000 0.863 46 N CB -0.173 38.351 38.487 0.062 0.000 0.980 46 N HN 0.539 nan 8.380 nan 0.000 0.458 47 W N 0.300 121.659 121.300 0.097 0.000 3.008 47 W HA 0.505 5.165 4.660 0.001 0.000 0.355 47 W C 0.803 177.314 176.519 -0.013 0.000 1.095 47 W CA -0.622 56.756 57.345 0.055 0.000 1.738 47 W CB -0.212 29.295 29.460 0.078 0.000 1.091 47 W HN -0.126 nan 8.180 nan 0.000 0.574 48 A N 1.126 124.008 122.820 0.103 0.000 2.327 48 A HA 0.577 4.897 4.320 0.001 0.000 0.255 48 A C 0.557 177.914 177.584 -0.378 0.000 1.099 48 A CA 0.268 52.188 52.037 -0.195 0.000 0.801 48 A CB 0.174 18.903 19.000 -0.451 0.000 1.062 48 A HN 0.125 nan 8.150 nan 0.000 0.496 49 S N -0.925 114.433 115.700 -0.570 0.000 2.548 49 S HA 0.841 5.312 4.470 0.001 0.000 0.286 49 S C -0.992 173.230 174.600 -0.631 0.000 1.098 49 S CA -0.604 57.369 58.200 -0.378 0.000 0.930 49 S CB 0.994 64.130 63.200 -0.106 0.000 1.070 49 S HN 0.517 nan 8.310 nan 0.000 0.480 50 F N 1.111 120.979 119.950 -0.137 0.000 2.593 50 F HA 0.677 5.205 4.527 0.001 0.000 0.320 50 F C 0.927 176.715 175.800 -0.021 0.000 1.060 50 F CA -0.750 57.166 58.000 -0.140 0.000 0.940 50 F CB 2.003 40.869 39.000 -0.222 0.000 1.268 50 F HN 0.838 nan 8.300 nan 0.000 0.475 51 S N 0.750 116.565 115.700 0.192 0.000 2.596 51 S HA 0.099 4.569 4.470 0.001 0.000 0.260 51 S C 0.859 175.552 174.600 0.155 0.000 1.336 51 S CA -0.371 57.937 58.200 0.179 0.000 0.993 51 S CB 0.308 63.587 63.200 0.132 0.000 0.923 51 S HN 0.597 nan 8.310 nan 0.000 0.567 52 F N 2.035 121.961 119.950 -0.040 0.000 2.095 52 F HA -0.113 4.415 4.527 0.001 0.000 0.298 52 F C 2.843 178.543 175.800 -0.166 0.000 1.104 52 F CA 2.191 60.042 58.000 -0.248 0.000 1.232 52 F CB -1.057 37.656 39.000 -0.477 0.000 0.987 52 F HN 0.779 nan 8.300 nan 0.000 0.475 53 S N -0.356 115.314 115.700 -0.050 0.000 2.382 53 S HA -0.101 4.369 4.470 0.001 0.000 0.228 53 S C 2.400 176.938 174.600 -0.103 0.000 1.027 53 S CA 1.074 59.212 58.200 -0.105 0.000 0.991 53 S CB -1.617 61.580 63.200 -0.004 0.000 0.823 53 S HN 0.441 nan 8.310 nan 0.000 0.469 54 G N 1.532 110.322 108.800 -0.018 0.000 2.422 54 G HA2 -0.071 3.890 3.960 0.001 0.000 0.218 54 G HA3 -0.071 3.890 3.960 0.001 0.000 0.218 54 G C 1.359 176.157 174.900 -0.170 0.000 1.146 54 G CA 0.915 46.040 45.100 0.042 0.000 0.769 54 G HN 0.477 nan 8.290 nan 0.000 0.547 55 L N 0.560 121.633 121.223 -0.250 0.000 2.056 55 L HA 0.152 4.493 4.340 0.001 0.000 0.207 55 L C 2.691 179.412 176.870 -0.248 0.000 1.078 55 L CA 1.260 55.865 54.840 -0.392 0.000 0.749 55 L CB -0.478 41.418 42.059 -0.272 0.000 0.901 55 L HN 0.187 nan 8.230 nan 0.000 0.433 56 L N -1.218 119.809 121.223 -0.327 0.000 2.079 56 L HA -0.206 4.134 4.340 0.001 0.000 0.210 56 L C 2.426 179.211 176.870 -0.143 0.000 1.081 56 L CA 1.389 56.092 54.840 -0.229 0.000 0.752 56 L CB -0.776 41.113 42.059 -0.284 0.000 0.896 56 L HN 0.254 nan 8.230 nan 0.000 0.433 57 S N -1.068 114.555 115.700 -0.128 0.000 2.383 57 S HA -0.204 4.267 4.470 0.001 0.000 0.227 57 S C 1.506 176.054 174.600 -0.087 0.000 1.026 57 S CA 1.110 59.262 58.200 -0.079 0.000 0.981 57 S CB -0.385 62.803 63.200 -0.020 0.000 0.818 57 S HN 0.567 nan 8.310 nan 0.000 0.472 58 W N 2.616 123.709 121.300 -0.346 0.000 2.355 58 W HA -0.052 4.608 4.660 0.001 0.000 0.309 58 W C 1.604 178.006 176.519 -0.195 0.000 1.206 58 W CA 0.974 58.093 57.345 -0.378 0.000 1.284 58 W CB -0.576 28.291 29.460 -0.990 0.000 1.145 58 W HN 0.166 nan 8.180 nan 0.000 0.502 59 L N 0.933 122.022 121.223 -0.224 0.000 1.990 59 L HA -0.339 4.002 4.340 0.001 0.000 0.213 59 L C 2.806 179.490 176.870 -0.309 0.000 1.072 59 L CA 1.842 56.494 54.840 -0.312 0.000 0.755 59 L CB -1.137 40.860 42.059 -0.103 0.000 0.889 59 L HN -0.084 nan 8.230 nan 0.000 0.432 60 K N 0.137 120.399 120.400 -0.230 0.000 2.023 60 K HA -0.363 3.957 4.320 0.001 0.000 0.227 60 K C 1.863 178.293 176.600 -0.284 0.000 1.054 60 K CA 2.459 58.621 56.287 -0.208 0.000 0.977 60 K CB -0.780 31.622 32.500 -0.164 0.000 0.733 60 K HN 0.404 nan 8.250 nan 0.000 0.451 61 E N 0.167 120.126 120.200 -0.402 0.000 2.164 61 E HA -0.231 4.119 4.350 0.001 0.000 0.206 61 E C 0.801 177.000 176.600 -0.670 0.000 1.032 61 E CA 1.633 57.682 56.400 -0.586 0.000 0.832 61 E CB -0.150 29.042 29.700 -0.847 0.000 0.742 61 E HN 0.476 nan 8.360 nan 0.000 0.460 62 Y N 0.487 120.544 120.300 -0.405 0.000 2.718 62 Y HA 0.306 4.857 4.550 0.001 0.000 0.322 62 Y C 0.374 176.115 175.900 -0.265 0.000 1.122 62 Y CA -0.445 57.439 58.100 -0.359 0.000 1.348 62 Y CB 0.397 38.555 38.460 -0.503 0.000 1.174 62 Y HN -0.012 nan 8.280 nan 0.000 0.523 75 W N -1.477 119.825 121.300 0.005 0.000 2.340 75 W HA 0.364 5.024 4.660 0.001 0.000 0.250 75 W C 0.975 177.499 176.519 0.009 0.000 0.952 75 W CA 0.535 57.886 57.345 0.009 0.000 1.219 75 W CB -0.553 28.910 29.460 0.005 0.000 0.921 75 W HN 0.262 nan 8.180 nan 0.000 0.603 76 Q N 3.117 122.585 119.800 -0.554 0.000 2.181 76 Q HA -0.253 4.087 4.340 0.001 0.000 0.205 76 Q C 2.118 178.085 176.000 -0.055 0.000 0.980 76 Q CA 2.991 58.590 55.803 -0.340 0.000 0.862 76 Q CB -0.479 27.912 28.738 -0.578 0.000 0.905 76 Q HN 0.617 nan 8.270 nan 0.000 0.429 77 E N -1.242 118.921 120.200 -0.061 0.000 2.478 77 E HA -0.160 4.191 4.350 0.001 0.000 0.198 77 E C 1.105 177.736 176.600 0.052 0.000 1.046 77 E CA 0.614 57.009 56.400 -0.007 0.000 0.870 77 E CB 0.044 29.732 29.700 -0.019 0.000 0.818 77 E HN 0.349 nan 8.360 nan 0.000 0.527 78 Q N 0.297 120.164 119.800 0.111 0.000 2.384 78 Q HA 0.156 4.497 4.340 0.001 0.000 0.207 78 Q C 0.506 176.586 176.000 0.132 0.000 0.904 78 Q CA -0.000 55.881 55.803 0.131 0.000 0.933 78 Q CB 0.639 29.482 28.738 0.175 0.000 1.077 78 Q HN 0.328 nan 8.270 nan 0.000 0.522 79 I N 2.802 123.468 120.570 0.160 0.000 2.581 79 I HA 0.015 4.186 4.170 0.001 0.000 0.285 79 I C 0.779 176.946 176.117 0.083 0.000 1.129 79 I CA 0.223 61.605 61.300 0.138 0.000 1.397 79 I CB -0.371 37.736 38.000 0.178 0.000 1.399 79 I HN -0.002 nan 8.210 nan 0.000 0.537 80 L N 5.822 127.084 121.223 0.064 0.000 2.488 80 L HA 0.247 4.587 4.340 0.001 0.000 0.249 80 L C 0.946 177.838 176.870 0.036 0.000 1.151 80 L CA -1.036 53.831 54.840 0.045 0.000 0.806 80 L CB 0.241 42.324 42.059 0.039 0.000 1.261 80 L HN 0.530 nan 8.230 nan 0.000 0.484 81 E N 0.928 121.145 120.200 0.027 0.000 2.452 81 E HA -0.128 4.222 4.350 0.001 0.000 0.261 81 E C -0.268 176.343 176.600 0.019 0.000 0.987 81 E CA -0.015 56.398 56.400 0.021 0.000 0.926 81 E CB -0.073 29.637 29.700 0.017 0.000 0.934 81 E HN 0.600 nan 8.360 nan 0.000 0.452 82 N N 1.044 119.754 118.700 0.016 0.000 2.741 82 N HA -0.176 4.565 4.740 0.001 0.000 0.250 82 N C -1.050 174.467 175.510 0.010 0.000 1.115 82 N CA 1.351 54.408 53.050 0.012 0.000 0.724 82 N CB -0.539 37.953 38.487 0.008 0.000 1.090 82 N HN 0.686 nan 8.380 nan 0.000 0.558 83 E N 0.066 120.276 120.200 0.017 0.000 2.410 83 E HA 0.546 4.897 4.350 0.001 0.000 0.269 83 E C -0.436 176.178 176.600 0.023 0.000 0.937 83 E CA -0.858 55.550 56.400 0.013 0.000 0.793 83 E CB 1.876 31.587 29.700 0.018 0.000 1.314 83 E HN 0.315 nan 8.360 nan 0.000 0.447 84 E N -0.277 119.930 120.200 0.011 0.000 2.408 84 E HA 0.755 5.106 4.350 0.001 0.000 0.275 84 E C -1.501 175.098 176.600 -0.002 0.000 0.935 84 E CA -1.274 55.141 56.400 0.026 0.000 0.775 84 E CB 1.781 31.489 29.700 0.014 0.000 1.277 84 E HN 0.429 nan 8.360 nan 0.000 0.455 85 A N 1.726 124.555 122.820 0.014 0.000 2.320 85 A HA 0.684 5.004 4.320 0.001 0.000 0.334 85 A C -0.597 176.907 177.584 -0.133 0.000 1.147 85 A CA -0.892 51.083 52.037 -0.103 0.000 0.820 85 A CB 0.669 19.551 19.000 -0.197 0.000 1.218 85 A HN 0.609 nan 8.150 nan 0.000 0.482 86 I N 2.706 123.153 120.570 -0.206 0.000 2.460 86 I HA 0.240 4.411 4.170 0.001 0.000 0.277 86 I C -2.400 173.578 176.117 -0.232 0.000 1.057 86 I CA -1.944 59.257 61.300 -0.165 0.000 1.179 86 I CB 1.713 39.627 38.000 -0.144 0.000 1.329 86 I HN 0.391 nan 8.210 nan 0.000 0.478 87 P HA 0.095 nan 4.420 nan 0.000 0.267 87 P C -0.502 176.715 177.300 -0.139 0.000 1.200 87 P CA 0.220 63.166 63.100 -0.256 0.000 0.772 87 P CB 0.682 32.325 31.700 -0.096 0.000 0.855 88 L N 0.772 121.917 121.223 -0.131 0.000 2.331 88 L HA 0.414 4.755 4.340 0.001 0.000 0.268 88 L C 1.000 177.879 176.870 0.015 0.000 1.015 88 L CA -0.885 53.935 54.840 -0.033 0.000 0.807 88 L CB 1.345 43.393 42.059 -0.019 0.000 1.293 88 L HN 0.351 nan 8.230 nan 0.000 0.451 89 S N -0.293 115.444 115.700 0.061 0.000 2.579 89 S HA 0.065 4.536 4.470 0.001 0.000 0.275 89 S C 0.739 175.365 174.600 0.043 0.000 1.345 89 S CA 0.134 58.363 58.200 0.048 0.000 1.031 89 S CB 0.755 63.976 63.200 0.035 0.000 0.892 89 S HN 0.718 nan 8.310 nan 0.000 0.529 90 S N 1.438 117.149 115.700 0.019 0.000 2.733 90 S HA 0.383 4.853 4.470 0.001 0.000 0.247 90 S C -0.220 174.367 174.600 -0.022 0.000 1.043 90 S CA -0.550 57.656 58.200 0.011 0.000 1.066 90 S CB 0.103 63.314 63.200 0.019 0.000 1.045 90 S HN 0.608 nan 8.310 nan 0.000 0.586 91 K N 2.291 122.670 120.400 -0.035 0.000 2.565 91 K HA 0.320 4.640 4.320 0.001 0.000 0.249 91 K C -2.036 174.524 176.600 -0.067 0.000 0.958 91 K CA -0.328 55.922 56.287 -0.062 0.000 0.806 91 K CB 1.636 34.103 32.500 -0.055 0.000 1.194 91 K HN 0.122 nan 8.250 nan 0.000 0.434 92 D N 3.626 123.975 120.400 -0.084 0.000 2.351 92 D HA 0.120 4.761 4.640 0.001 0.000 0.251 92 D C -0.696 175.641 176.300 0.060 0.000 1.137 92 D CA 0.247 54.224 54.000 -0.038 0.000 0.879 92 D CB 0.827 41.625 40.800 -0.003 0.000 1.181 92 D HN 0.569 nan 8.370 nan 0.000 0.448 93 K N 2.454 122.881 120.400 0.045 0.000 3.084 93 K HA 0.092 4.412 4.320 0.001 0.000 0.210 93 K C 0.883 177.477 176.600 -0.009 0.000 1.137 93 K CA -0.163 56.158 56.287 0.058 0.000 1.010 93 K CB 0.830 33.338 32.500 0.013 0.000 0.806 93 K HN 0.396 nan 8.250 nan 0.000 0.460 94 T N -2.403 112.142 114.554 -0.016 0.000 3.044 94 T HA 0.213 4.563 4.350 0.001 0.000 0.250 94 T C 0.754 175.357 174.700 -0.162 0.000 1.081 94 T CA 0.006 62.044 62.100 -0.104 0.000 1.040 94 T CB 0.158 68.985 68.868 -0.068 0.000 0.962 94 T HN -0.051 nan 8.240 nan 0.000 0.506 95 I N 1.855 122.215 120.570 -0.349 0.000 2.493 95 I HA 0.563 4.734 4.170 0.001 0.000 0.298 95 I C -0.153 175.764 176.117 -0.333 0.000 0.998 95 I CA -0.678 60.321 61.300 -0.500 0.000 1.137 95 I CB 1.633 38.780 38.000 -1.422 0.000 1.310 95 I HN 0.334 nan 8.210 nan 0.000 0.445 96 Q N 3.429 123.103 119.800 -0.209 0.000 2.626 96 Q HA 0.370 4.710 4.340 0.001 0.000 0.300 96 Q C -0.897 174.989 176.000 -0.190 0.000 0.988 96 Q CA -0.881 54.736 55.803 -0.310 0.000 0.761 96 Q CB 1.925 30.311 28.738 -0.587 0.000 1.494 96 Q HN 0.565 nan 8.270 nan 0.000 0.439 97 H N -1.615 117.483 119.070 0.047 0.000 2.626 97 H HA -0.131 4.425 4.556 0.001 0.000 0.317 97 H C -0.576 174.809 175.328 0.095 0.000 1.140 97 H CA 0.354 56.438 56.048 0.060 0.000 1.134 97 H CB -2.253 27.549 29.762 0.066 0.000 1.486 97 H HN 0.198 nan 8.280 nan 0.000 0.417 98 V N 1.510 121.500 119.914 0.126 0.000 2.529 98 V HA 0.019 4.140 4.120 0.001 0.000 0.292 98 V C 1.023 177.150 176.094 0.056 0.000 1.028 98 V CA 0.592 62.959 62.300 0.111 0.000 1.074 98 V CB 1.167 32.977 31.823 -0.020 0.000 0.958 98 V HN 0.285 nan 8.190 nan 0.000 0.481 99 E N 4.152 124.403 120.200 0.084 0.000 2.218 99 E HA 0.503 4.853 4.350 0.001 0.000 0.263 99 E C -1.400 175.001 176.600 -0.331 0.000 0.879 99 E CA -0.501 55.838 56.400 -0.101 0.000 0.762 99 E CB 2.534 32.302 29.700 0.114 0.000 1.166 99 E HN 0.405 nan 8.360 nan 0.000 0.415 100 V N 3.754 123.245 119.914 -0.705 0.000 2.555 100 V HA 0.538 4.658 4.120 0.001 0.000 0.302 100 V C -0.819 174.541 176.094 -1.223 0.000 1.038 100 V CA -0.689 61.128 62.300 -0.806 0.000 0.887 100 V CB 0.938 32.473 31.823 -0.480 0.000 0.991 100 V HN 0.486 nan 8.190 nan 0.000 0.434 101 F N 2.721 122.316 119.950 -0.592 0.000 2.547 101 F HA 0.547 5.074 4.527 0.001 0.000 0.316 101 F C -0.105 175.187 175.800 -0.848 0.000 1.121 101 F CA -0.556 57.047 58.000 -0.662 0.000 0.911 101 F CB 1.705 40.291 39.000 -0.689 0.000 1.179 101 F HN 0.495 nan 8.300 nan 0.000 0.443 102 C N 4.426 123.429 119.300 -0.495 0.000 2.294 102 C HA 0.477 4.937 4.460 0.001 0.000 0.319 102 C C 0.558 175.398 174.990 -0.250 0.000 1.164 102 C CA -0.494 58.356 59.018 -0.280 0.000 1.497 102 C CB -1.226 26.353 27.740 -0.268 0.000 2.061 102 C HN 0.909 nan 8.230 nan 0.000 0.438 103 Y N 3.405 123.784 120.300 0.131 0.000 2.397 103 Y HA 0.297 4.847 4.550 0.001 0.000 0.292 103 Y C 1.889 177.901 175.900 0.187 0.000 1.115 103 Y CA 0.857 59.059 58.100 0.169 0.000 1.208 103 Y CB -0.768 37.813 38.460 0.201 0.000 1.046 103 Y HN 0.772 nan 8.280 nan 0.000 0.552 104 A N 0.378 123.302 122.820 0.172 0.000 2.492 104 A HA 0.228 4.549 4.320 0.001 0.000 0.236 104 A C 0.715 178.301 177.584 0.003 0.000 1.078 104 A CA -0.193 51.741 52.037 -0.171 0.000 0.773 104 A CB -0.121 18.782 19.000 -0.161 0.000 1.023 104 A HN 0.216 nan 8.150 nan 0.000 0.504 105 S N 0.288 115.971 115.700 -0.029 0.000 2.576 105 S HA 0.225 4.696 4.470 0.001 0.000 0.276 105 S C 0.071 174.731 174.600 0.099 0.000 1.339 105 S CA -0.092 58.167 58.200 0.099 0.000 1.039 105 S CB 0.471 63.753 63.200 0.136 0.000 0.902 105 S HN 0.585 nan 8.310 nan 0.000 0.516 106 Q N 3.101 122.964 119.800 0.106 0.000 2.402 106 Q HA 0.257 4.597 4.340 0.001 0.000 0.238 106 Q C 0.162 176.232 176.000 0.117 0.000 1.126 106 Q CA 0.343 56.232 55.803 0.144 0.000 0.904 106 Q CB -0.023 28.777 28.738 0.104 0.000 1.357 106 Q HN 0.649 nan 8.270 nan 0.000 0.491 211 R N 1.381 121.940 120.500 0.100 0.000 2.210 211 R HA 0.356 4.697 4.340 0.001 0.000 0.338 211 R C -0.376 175.947 176.300 0.038 0.000 1.062 211 R CA -0.414 55.762 56.100 0.127 0.000 0.902 211 R CB 0.938 31.343 30.300 0.175 0.000 1.050 211 R HN 0.118 nan 8.270 nan 0.000 0.461 212 I N 4.119 124.680 120.570 -0.015 0.000 2.301 212 I HA 0.065 4.235 4.170 0.001 0.000 0.292 212 I C 1.168 177.203 176.117 -0.137 0.000 1.046 212 I CA -0.171 61.095 61.300 -0.058 0.000 1.282 212 I CB 0.729 38.709 38.000 -0.034 0.000 1.409 212 I HN 0.590 nan 8.210 nan 0.000 0.484 213 T N 2.546 117.047 114.554 -0.088 0.000 2.874 213 T HA 0.179 4.530 4.350 0.001 0.000 0.281 213 T C 1.142 175.820 174.700 -0.037 0.000 0.994 213 T CA -0.333 61.727 62.100 -0.067 0.000 1.015 213 T CB 1.179 70.040 68.868 -0.013 0.000 1.028 213 T HN 0.538 nan 8.240 nan 0.000 0.523 214 Y N 1.255 121.490 120.300 -0.109 0.000 2.274 214 Y HA -0.125 4.426 4.550 0.001 0.000 0.290 214 Y C 2.665 178.496 175.900 -0.115 0.000 1.145 214 Y CA 1.708 59.741 58.100 -0.112 0.000 1.203 214 Y CB -0.368 38.077 38.460 -0.024 0.000 0.984 214 Y HN 0.713 nan 8.280 nan 0.000 0.533 215 S N 0.177 115.817 115.700 -0.100 0.000 2.399 215 S HA -0.232 4.238 4.470 0.001 0.000 0.231 215 S C 1.731 176.217 174.600 -0.191 0.000 1.022 215 S CA 1.528 59.636 58.200 -0.154 0.000 0.983 215 S CB -0.249 62.928 63.200 -0.039 0.000 0.803 215 S HN 0.611 nan 8.310 nan 0.000 0.480 216 Q N 0.260 119.968 119.800 -0.154 0.000 2.119 216 Q HA -0.030 4.310 4.340 0.001 0.000 0.201 216 Q C 1.993 177.878 176.000 -0.191 0.000 0.972 216 Q CA 0.904 56.629 55.803 -0.131 0.000 0.847 216 Q CB -0.219 28.468 28.738 -0.084 0.000 0.903 216 Q HN 0.434 nan 8.270 nan 0.000 0.433 217 I N 0.792 121.162 120.570 -0.332 0.000 2.163 217 I HA -0.275 3.895 4.170 0.001 0.000 0.243 217 I C 2.284 178.057 176.117 -0.573 0.000 1.085 217 I CA 1.507 62.483 61.300 -0.540 0.000 1.347 217 I CB -0.949 36.465 38.000 -0.976 0.000 1.044 217 I HN 0.258 nan 8.210 nan 0.000 0.408 218 I N 0.557 120.782 120.570 -0.574 0.000 2.179 218 I HA -0.318 3.852 4.170 0.001 0.000 0.242 218 I C 2.689 178.714 176.117 -0.153 0.000 1.088 218 I CA 1.326 62.431 61.300 -0.324 0.000 1.357 218 I CB -0.389 37.421 38.000 -0.317 0.000 1.051 218 I HN 0.224 nan 8.210 nan 0.000 0.409 219 K N 0.866 121.181 120.400 -0.142 0.000 2.044 219 K HA -0.207 4.114 4.320 0.001 0.000 0.210 219 K C 1.418 177.994 176.600 -0.040 0.000 1.049 219 K CA 1.533 57.777 56.287 -0.072 0.000 0.927 219 K CB 0.068 32.529 32.500 -0.066 0.000 0.713 219 K HN 0.206 nan 8.250 nan 0.000 0.443 220 E N -0.326 119.853 120.200 -0.036 0.000 2.437 220 E HA 0.019 4.369 4.350 0.001 0.000 0.189 220 E C 1.513 178.184 176.600 0.119 0.000 1.054 220 E CA 0.291 56.702 56.400 0.019 0.000 0.874 220 E CB 0.479 30.183 29.700 0.006 0.000 1.011 220 E HN 0.517 nan 8.360 nan 0.000 0.474 221 G N 2.076 110.926 108.800 0.082 0.000 2.545 221 G HA2 -0.319 3.642 3.960 0.001 0.000 0.222 221 G HA3 -0.319 3.642 3.960 0.001 0.000 0.222 221 G C 1.604 176.656 174.900 0.253 0.000 1.126 221 G CA 0.404 45.608 45.100 0.173 0.000 0.754 221 G HN 0.160 nan 8.290 nan 0.000 0.583 222 R N -0.154 120.432 120.500 0.144 0.000 2.316 222 R HA 0.088 4.428 4.340 0.001 0.000 0.202 222 R C 2.065 178.425 176.300 0.100 0.000 1.029 222 R CA 0.151 56.319 56.100 0.113 0.000 1.018 222 R CB -0.133 30.203 30.300 0.060 0.000 0.888 222 R HN 0.212 nan 8.270 nan 0.000 0.471 223 R N -0.465 120.083 120.500 0.080 0.000 2.297 223 R HA 0.140 4.481 4.340 0.001 0.000 0.197 223 R C 0.092 176.286 176.300 -0.177 0.000 0.943 223 R CA 0.172 56.226 56.100 -0.076 0.000 1.038 223 R CB -0.084 30.094 30.300 -0.203 0.000 0.957 223 R HN 0.013 nan 8.270 nan 0.000 0.484 224 F N 0.598 120.556 119.950 0.012 0.000 2.425 224 F HA 0.363 4.890 4.527 0.001 0.000 0.331 224 F C 0.707 176.556 175.800 0.081 0.000 1.085 224 F CA -0.603 57.419 58.000 0.036 0.000 1.028 224 F CB 1.066 40.085 39.000 0.033 0.000 1.177 224 F HN -0.217 nan 8.300 nan 0.000 0.487 225 N N 3.346 122.217 118.700 0.284 0.000 2.710 225 N HA 0.187 4.927 4.740 0.001 0.000 0.244 225 N C -1.442 174.220 175.510 0.254 0.000 1.321 225 N CA -0.211 52.971 53.050 0.220 0.000 0.758 225 N CB 1.157 39.756 38.487 0.186 0.000 1.284 225 N HN 0.278 nan 8.380 nan 0.000 0.530 226 I N 1.226 121.960 120.570 0.274 0.000 2.406 226 I HA 0.129 4.300 4.170 0.001 0.000 0.293 226 I C 0.645 176.925 176.117 0.271 0.000 1.101 226 I CA -0.160 61.327 61.300 0.312 0.000 1.334 226 I CB -0.190 37.970 38.000 0.266 0.000 1.421 226 I HN 0.129 nan 8.210 nan 0.000 0.513 227 D N 6.387 126.972 120.400 0.308 0.000 2.389 227 D HA 0.129 4.769 4.640 0.001 0.000 0.247 227 D C 1.290 177.693 176.300 0.172 0.000 1.128 227 D CA -0.212 53.874 54.000 0.145 0.000 0.884 227 D CB 2.485 43.302 40.800 0.028 0.000 1.194 227 D HN 0.421 nan 8.370 nan 0.000 0.441 228 L N 1.386 122.644 121.223 0.058 0.000 2.341 228 L HA 0.015 4.356 4.340 0.001 0.000 0.214 228 L C 0.538 177.452 176.870 0.073 0.000 1.115 228 L CA 0.555 55.443 54.840 0.080 0.000 0.820 228 L CB 0.329 42.334 42.059 -0.089 0.000 0.944 228 L HN 0.098 nan 8.230 nan 0.000 0.452 229 V N -0.393 119.505 119.914 -0.027 0.000 2.384 229 V HA 0.173 4.294 4.120 0.001 0.000 0.287 229 V C 0.053 176.083 176.094 -0.107 0.000 1.020 229 V CA -0.331 61.907 62.300 -0.103 0.000 0.850 229 V CB 1.643 33.364 31.823 -0.170 0.000 0.987 229 V HN 0.049 nan 8.190 nan 0.000 0.436 230 S N 6.333 121.955 115.700 -0.129 0.000 2.512 230 S HA 0.579 5.050 4.470 0.001 0.000 0.291 230 S C -0.378 174.189 174.600 -0.054 0.000 1.151 230 S CA -0.535 57.565 58.200 -0.168 0.000 1.120 230 S CB -0.252 62.842 63.200 -0.176 0.000 1.029 230 S HN 0.758 nan 8.310 nan 0.000 0.485 231 K N 2.952 123.365 120.400 0.021 0.000 2.439 231 K HA 0.696 5.016 4.320 0.001 0.000 0.260 231 K C -1.229 175.424 176.600 0.088 0.000 1.032 231 K CA -0.906 55.406 56.287 0.042 0.000 0.882 231 K CB 1.634 34.189 32.500 0.093 0.000 1.420 231 K HN 0.408 nan 8.250 nan 0.000 0.455 232 L N 1.109 122.339 121.223 0.011 0.000 2.327 232 L HA 0.523 4.863 4.340 0.001 0.000 0.258 232 L C -1.380 175.521 176.870 0.052 0.000 1.024 232 L CA -1.290 53.549 54.840 -0.001 0.000 0.825 232 L CB 1.521 43.371 42.059 -0.348 0.000 1.386 232 L HN 0.275 nan 8.230 nan 0.000 0.417 233 L N 0.903 122.201 121.223 0.125 0.000 2.307 233 L HA 0.442 4.782 4.340 0.001 0.000 0.284 233 L C -0.587 176.429 176.870 0.244 0.000 1.023 233 L CA 0.015 54.964 54.840 0.181 0.000 0.810 233 L CB 1.030 43.170 42.059 0.135 0.000 1.231 233 L HN 0.220 nan 8.230 nan 0.000 0.423 234 Y N 0.924 121.367 120.300 0.239 0.000 2.301 234 Y HA 0.047 4.597 4.550 0.001 0.000 0.328 234 Y C 1.764 177.715 175.900 0.086 0.000 1.242 234 Y CA 0.525 58.744 58.100 0.199 0.000 1.323 234 Y CB 1.315 39.851 38.460 0.127 0.000 1.266 234 Y HN 0.682 nan 8.280 nan 0.000 0.527 235 S N 0.990 116.810 115.700 0.200 0.000 2.419 235 S HA -0.096 4.374 4.470 0.001 0.000 0.235 235 S C 0.511 175.210 174.600 0.166 0.000 1.019 235 S CA 1.316 59.640 58.200 0.207 0.000 0.982 235 S CB -0.156 63.122 63.200 0.130 0.000 0.789 235 S HN 0.485 nan 8.310 nan 0.000 0.490 236 R N -1.089 119.490 120.500 0.133 0.000 2.564 236 R HA 0.558 4.899 4.340 0.001 0.000 0.284 236 R C -0.439 175.898 176.300 0.062 0.000 1.031 236 R CA -0.057 56.085 56.100 0.069 0.000 0.904 236 R CB 1.947 32.256 30.300 0.015 0.000 1.199 236 R HN 0.257 nan 8.270 nan 0.000 0.443 237 G N 1.152 109.982 108.800 0.050 0.000 2.349 237 G HA2 0.133 4.093 3.960 0.001 0.000 0.294 237 G HA3 0.133 4.093 3.960 0.001 0.000 0.294 237 G C 0.201 175.128 174.900 0.045 0.000 1.380 237 G CA -0.911 44.211 45.100 0.036 0.000 0.811 237 G HN 0.464 nan 8.290 nan 0.000 0.519 238 L N -0.365 120.883 121.223 0.041 0.000 1.990 238 L HA -0.118 4.223 4.340 0.001 0.000 0.213 238 L C 2.859 179.773 176.870 0.073 0.000 1.072 238 L CA 1.701 56.569 54.840 0.048 0.000 0.755 238 L CB -0.441 41.639 42.059 0.035 0.000 0.889 238 L HN 0.488 nan 8.230 nan 0.000 0.432 239 L N -0.172 121.106 121.223 0.091 0.000 2.005 239 L HA -0.180 4.161 4.340 0.001 0.000 0.207 239 L C 2.324 179.265 176.870 0.119 0.000 1.072 239 L CA 1.499 56.412 54.840 0.122 0.000 0.744 239 L CB -0.388 41.754 42.059 0.140 0.000 0.895 239 L HN 0.097 nan 8.230 nan 0.000 0.433 240 I N -0.573 120.043 120.570 0.076 0.000 2.208 240 I HA -0.329 3.841 4.170 0.001 0.000 0.245 240 I C 1.805 177.928 176.117 0.010 0.000 1.097 240 I CA 1.762 63.065 61.300 0.005 0.000 1.363 240 I CB -0.223 37.761 38.000 -0.027 0.000 1.051 240 I HN 0.360 nan 8.210 nan 0.000 0.413 241 D N 0.426 120.845 120.400 0.032 0.000 2.178 241 D HA -0.189 4.452 4.640 0.001 0.000 0.201 241 D C 1.900 178.218 176.300 0.030 0.000 0.980 241 D CA 1.031 55.045 54.000 0.024 0.000 0.842 241 D CB -0.232 40.583 40.800 0.025 0.000 0.948 241 D HN 0.291 nan 8.370 nan 0.000 0.472 242 L N 0.239 121.502 121.223 0.067 0.000 2.156 242 L HA -0.001 4.340 4.340 0.001 0.000 0.208 242 L C 2.015 178.932 176.870 0.078 0.000 1.095 242 L CA 1.099 55.992 54.840 0.089 0.000 0.770 242 L CB -0.333 41.818 42.059 0.153 0.000 0.914 242 L HN -0.012 nan 8.230 nan 0.000 0.439 243 L N -1.054 120.214 121.223 0.075 0.000 2.056 243 L HA -0.215 4.125 4.340 0.001 0.000 0.207 243 L C 2.413 179.230 176.870 -0.087 0.000 1.078 243 L CA 1.446 56.268 54.840 -0.029 0.000 0.749 243 L CB -0.391 41.658 42.059 -0.017 0.000 0.901 243 L HN 0.243 nan 8.230 nan 0.000 0.433 244 I N -0.285 120.249 120.570 -0.060 0.000 2.202 244 I HA -0.297 3.873 4.170 0.001 0.000 0.242 244 I C 2.675 178.753 176.117 -0.065 0.000 1.091 244 I CA 1.280 62.541 61.300 -0.065 0.000 1.368 244 I CB -0.341 37.635 38.000 -0.041 0.000 1.058 244 I HN 0.237 nan 8.210 nan 0.000 0.410 245 K N 1.294 121.664 120.400 -0.051 0.000 2.026 245 K HA -0.196 4.124 4.320 0.001 0.000 0.208 245 K C 2.183 178.733 176.600 -0.084 0.000 1.048 245 K CA 2.099 58.353 56.287 -0.056 0.000 0.929 245 K CB -0.122 32.353 32.500 -0.042 0.000 0.713 245 K HN 0.368 nan 8.250 nan 0.000 0.439 246 S N -0.029 115.609 115.700 -0.104 0.000 2.527 246 S HA 0.015 4.486 4.470 0.001 0.000 0.222 246 S C 0.632 175.138 174.600 -0.157 0.000 0.985 246 S CA 0.480 58.599 58.200 -0.135 0.000 0.921 246 S CB -0.110 63.006 63.200 -0.140 0.000 0.772 246 S HN 0.462 nan 8.310 nan 0.000 0.529 247 N N -0.390 118.204 118.700 -0.177 0.000 2.948 247 N HA -0.133 4.607 4.740 0.001 0.000 0.239 247 N C 0.608 175.851 175.510 -0.446 0.000 0.954 247 N CA 0.930 53.839 53.050 -0.235 0.000 0.941 247 N CB -1.743 36.639 38.487 -0.175 0.000 1.101 247 N HN 0.388 nan 8.380 nan 0.000 0.579 248 V N 1.181 120.807 119.914 -0.480 0.000 2.867 248 V HA -0.193 3.928 4.120 0.001 0.000 0.260 248 V C 2.205 177.935 176.094 -0.607 0.000 1.099 248 V CA 2.118 63.971 62.300 -0.746 0.000 1.122 248 V CB -0.436 30.939 31.823 -0.747 0.000 0.708 248 V HN 0.607 nan 8.190 nan 0.000 0.490 249 S N 0.679 116.171 115.700 -0.346 0.000 2.442 249 S HA -0.217 4.253 4.470 0.001 0.000 0.236 249 S C 1.922 176.448 174.600 -0.123 0.000 1.007 249 S CA 1.051 59.173 58.200 -0.131 0.000 0.965 249 S CB -0.486 62.664 63.200 -0.083 0.000 0.773 249 S HN 0.634 nan 8.310 nan 0.000 0.504 250 R N 0.060 120.387 120.500 -0.289 0.000 2.237 250 R HA 0.062 4.402 4.340 0.001 0.000 0.219 250 R C 1.247 177.529 176.300 -0.030 0.000 1.080 250 R CA 1.198 57.195 56.100 -0.173 0.000 0.995 250 R CB -0.395 29.777 30.300 -0.212 0.000 0.875 250 R HN 0.657 nan 8.270 nan 0.000 0.462 251 Y N -0.312 119.929 120.300 -0.099 0.000 2.490 251 Y HA 0.251 4.801 4.550 0.001 0.000 0.281 251 Y C 0.936 176.746 175.900 -0.151 0.000 1.174 251 Y CA -0.823 57.195 58.100 -0.137 0.000 1.295 251 Y CB 0.454 38.803 38.460 -0.186 0.000 1.062 251 Y HN 0.023 nan 8.280 nan 0.000 0.522 252 A N 0.245 123.059 122.820 -0.010 0.000 2.566 252 A HA 0.596 4.917 4.320 0.001 0.000 0.292 252 A C -1.153 176.302 177.584 -0.215 0.000 1.112 252 A CA -0.753 51.170 52.037 -0.191 0.000 0.707 252 A CB 1.827 20.583 19.000 -0.407 0.000 1.302 252 A HN 0.162 nan 8.150 nan 0.000 0.409 253 E N -0.170 119.803 120.200 -0.380 0.000 2.256 253 E HA 0.684 5.034 4.350 0.001 0.000 0.267 253 E C -1.765 174.527 176.600 -0.514 0.000 0.892 253 E CA -0.325 55.941 56.400 -0.223 0.000 0.775 253 E CB 1.667 31.307 29.700 -0.101 0.000 1.207 253 E HN 0.483 nan 8.360 nan 0.000 0.420 254 F N 0.987 120.888 119.950 -0.081 0.000 2.593 254 F HA 0.494 5.021 4.527 0.001 0.000 0.320 254 F C 0.312 176.080 175.800 -0.053 0.000 1.060 254 F CA -0.970 56.978 58.000 -0.087 0.000 0.940 254 F CB 1.608 40.523 39.000 -0.143 0.000 1.268 254 F HN -0.038 nan 8.300 nan 0.000 0.475 255 K N 1.445 121.958 120.400 0.189 0.000 2.259 255 K HA 0.343 4.663 4.320 0.001 0.000 0.252 255 K C -1.119 175.578 176.600 0.161 0.000 0.936 255 K CA -0.816 55.557 56.287 0.143 0.000 0.810 255 K CB 1.969 34.553 32.500 0.140 0.000 1.143 255 K HN 0.594 nan 8.250 nan 0.000 0.427 256 N N 1.968 120.737 118.700 0.115 0.000 2.518 256 N HA 0.209 4.949 4.740 0.001 0.000 0.283 256 N C -0.256 175.325 175.510 0.118 0.000 1.119 256 N CA -0.436 52.684 53.050 0.116 0.000 0.983 256 N CB 0.796 39.345 38.487 0.102 0.000 1.139 256 N HN 0.322 nan 8.380 nan 0.000 0.465 257 I N 1.032 121.685 120.570 0.139 0.000 2.588 257 I HA -0.032 4.138 4.170 0.001 0.000 0.283 257 I C 1.922 178.100 176.117 0.101 0.000 1.119 257 I CA 0.461 61.837 61.300 0.126 0.000 1.419 257 I CB 0.846 38.961 38.000 0.192 0.000 1.394 257 I HN 0.587 nan 8.210 nan 0.000 0.562 258 T N 3.439 118.043 114.554 0.083 0.000 3.001 258 T HA 0.344 4.694 4.350 0.001 0.000 0.251 258 T C 0.707 175.450 174.700 0.072 0.000 1.040 258 T CA -0.132 62.011 62.100 0.072 0.000 0.985 258 T CB 0.191 69.097 68.868 0.064 0.000 1.011 258 T HN 0.480 nan 8.240 nan 0.000 0.509 259 R N 0.727 121.274 120.500 0.078 0.000 2.564 259 R HA 0.554 4.895 4.340 0.001 0.000 0.284 259 R C -1.461 174.894 176.300 0.092 0.000 1.031 259 R CA -0.852 55.292 56.100 0.074 0.000 0.904 259 R CB 1.827 32.159 30.300 0.053 0.000 1.199 259 R HN 0.165 nan 8.270 nan 0.000 0.443 260 I N 4.965 125.594 120.570 0.098 0.000 2.321 260 I HA 0.386 4.557 4.170 0.001 0.000 0.291 260 I C -0.028 176.111 176.117 0.037 0.000 0.998 260 I CA -0.513 60.858 61.300 0.118 0.000 1.227 260 I CB 1.092 39.205 38.000 0.189 0.000 1.368 260 I HN 0.468 nan 8.210 nan 0.000 0.466 261 L N 5.094 126.337 121.223 0.033 0.000 2.333 261 L HA 0.894 5.235 4.340 0.001 0.000 0.269 261 L C 0.074 176.950 176.870 0.010 0.000 1.010 261 L CA -0.731 54.113 54.840 0.006 0.000 0.818 261 L CB 2.035 44.113 42.059 0.031 0.000 1.306 261 L HN 0.663 nan 8.230 nan 0.000 0.430 262 A N 1.032 123.860 122.820 0.014 0.000 2.423 262 A HA 0.774 5.095 4.320 0.001 0.000 0.304 262 A C -1.556 176.216 177.584 0.313 0.000 1.104 262 A CA -0.312 51.800 52.037 0.125 0.000 0.757 262 A CB 1.469 20.472 19.000 0.005 0.000 1.313 262 A HN 0.529 nan 8.150 nan 0.000 0.423 263 F N 1.559 121.634 119.950 0.208 0.000 2.451 263 F HA 0.503 5.031 4.527 0.001 0.000 0.367 263 F C 0.217 176.152 175.800 0.225 0.000 1.100 263 F CA -0.279 57.818 58.000 0.161 0.000 1.171 263 F CB 0.500 39.552 39.000 0.086 0.000 1.405 263 F HN 0.660 nan 8.300 nan 0.000 0.482 264 R N 2.401 122.837 120.500 -0.108 0.000 2.732 264 R HA 0.400 4.741 4.340 0.001 0.000 0.278 264 R C 0.357 176.389 176.300 -0.447 0.000 0.976 264 R CA -0.153 55.729 56.100 -0.363 0.000 0.963 264 R CB 1.037 31.029 30.300 -0.513 0.000 1.150 264 R HN 0.721 nan 8.270 nan 0.000 0.478 265 E N 0.900 120.860 120.200 -0.400 0.000 3.426 265 E HA -0.258 4.092 4.350 0.001 0.000 0.291 265 E C 0.345 176.713 176.600 -0.386 0.000 0.898 265 E CA 0.759 56.970 56.400 -0.315 0.000 0.970 265 E CB -1.315 28.234 29.700 -0.253 0.000 1.489 265 E HN 1.095 nan 8.360 nan 0.000 0.461 266 G N 0.430 108.830 108.800 -0.666 0.000 2.182 266 G HA2 -0.322 3.638 3.960 0.001 0.000 0.248 266 G HA3 -0.322 3.638 3.960 0.001 0.000 0.248 266 G C 0.015 174.290 174.900 -1.042 0.000 1.042 266 G CA 0.859 45.396 45.100 -0.938 0.000 0.775 266 G HN 0.682 nan 8.290 nan 0.000 0.501 267 T N -1.585 112.341 114.554 -1.047 0.000 2.912 267 T HA 0.627 4.978 4.350 0.001 0.000 0.299 267 T C 0.142 174.747 174.700 -0.159 0.000 1.052 267 T CA 0.045 61.895 62.100 -0.417 0.000 0.996 267 T CB 2.079 70.825 68.868 -0.202 0.000 1.070 267 T HN 0.831 nan 8.240 nan 0.000 0.465 268 V N 3.908 123.903 119.914 0.134 0.000 2.775 268 V HA 0.636 4.756 4.120 0.001 0.000 0.299 268 V C 0.340 176.487 176.094 0.088 0.000 1.062 268 V CA -0.129 62.288 62.300 0.195 0.000 1.063 268 V CB 1.135 33.044 31.823 0.142 0.000 0.994 268 V HN 1.025 nan 8.190 nan 0.000 0.483 269 E N 2.231 122.484 120.200 0.088 0.000 2.431 269 E HA 0.244 4.595 4.350 0.001 0.000 0.287 269 E C -1.241 175.373 176.600 0.022 0.000 1.032 269 E CA -0.669 55.768 56.400 0.062 0.000 0.839 269 E CB 1.510 31.271 29.700 0.102 0.000 1.218 269 E HN 0.729 nan 8.360 nan 0.000 0.424 270 Q N 2.590 122.400 119.800 0.015 0.000 2.314 270 Q HA 0.371 4.712 4.340 0.001 0.000 0.258 270 Q C -0.578 175.385 176.000 -0.062 0.000 0.954 270 Q CA -0.571 55.225 55.803 -0.012 0.000 0.890 270 Q CB 1.115 29.863 28.738 0.017 0.000 1.210 270 Q HN 0.390 nan 8.270 nan 0.000 0.410 271 V N 2.600 122.420 119.914 -0.157 0.000 2.370 271 V HA 0.571 4.692 4.120 0.001 0.000 0.279 271 V C -2.488 173.571 176.094 -0.058 0.000 1.029 271 V CA -2.393 59.740 62.300 -0.278 0.000 0.870 271 V CB 0.807 32.235 31.823 -0.658 0.000 0.984 271 V HN 0.750 nan 8.190 nan 0.000 0.451 272 P HA 0.401 nan 4.420 nan 0.000 0.271 272 P C -0.075 177.280 177.300 0.092 0.000 1.220 272 P CA -0.105 63.040 63.100 0.075 0.000 0.768 272 P CB 1.158 32.913 31.700 0.091 0.000 0.848 273 C N 0.782 120.148 119.300 0.111 0.000 2.662 273 C HA 0.089 4.550 4.460 0.001 0.000 0.307 273 C C 0.890 175.969 174.990 0.148 0.000 1.796 273 C CA 0.477 59.588 59.018 0.154 0.000 2.153 273 C CB -0.660 27.231 27.740 0.251 0.000 1.725 273 C HN 0.610 nan 8.230 nan 0.000 0.733 274 S N 2.389 118.165 115.700 0.126 0.000 2.563 274 S HA -0.013 4.458 4.470 0.001 0.000 0.294 274 S C 0.769 175.437 174.600 0.114 0.000 1.279 274 S CA 0.003 58.265 58.200 0.103 0.000 1.069 274 S CB 0.028 63.273 63.200 0.075 0.000 0.828 274 S HN 0.513 nan 8.310 nan 0.000 0.497 275 R N 2.373 122.942 120.500 0.115 0.000 2.244 275 R HA -0.236 4.105 4.340 0.001 0.000 0.252 275 R C 2.070 178.477 176.300 0.178 0.000 1.177 275 R CA 1.640 57.825 56.100 0.142 0.000 1.004 275 R CB -0.820 29.555 30.300 0.125 0.000 0.873 275 R HN 0.893 nan 8.270 nan 0.000 0.469 276 A N 0.539 123.441 122.820 0.138 0.000 1.843 276 A HA -0.113 4.208 4.320 0.001 0.000 0.213 276 A C 1.672 179.349 177.584 0.154 0.000 1.202 276 A CA 1.315 53.438 52.037 0.144 0.000 0.607 276 A CB -0.458 18.595 19.000 0.090 0.000 0.847 276 A HN 0.287 nan 8.150 nan 0.000 0.445 277 D N 0.011 120.481 120.400 0.116 0.000 2.220 277 D HA -0.163 4.477 4.640 0.001 0.000 0.198 277 D C 2.034 178.396 176.300 0.103 0.000 1.001 277 D CA 1.643 55.703 54.000 0.101 0.000 0.875 277 D CB -0.228 40.625 40.800 0.089 0.000 0.921 277 D HN 0.206 nan 8.370 nan 0.000 0.454 278 V N 0.287 120.269 119.914 0.112 0.000 2.237 278 V HA -0.224 3.896 4.120 0.001 0.000 0.245 278 V C 1.946 178.052 176.094 0.020 0.000 1.046 278 V CA 1.220 63.555 62.300 0.060 0.000 1.007 278 V CB -0.544 31.307 31.823 0.047 0.000 0.638 278 V HN 0.085 nan 8.190 nan 0.000 0.445 279 F N 0.660 120.641 119.950 0.051 0.000 2.802 279 F HA 0.056 4.584 4.527 0.001 0.000 0.302 279 F C 1.657 177.480 175.800 0.037 0.000 1.211 279 F CA 0.817 58.842 58.000 0.042 0.000 1.431 279 F CB -0.724 38.298 39.000 0.037 0.000 1.114 279 F HN 0.247 nan 8.300 nan 0.000 0.567 280 N N -1.925 116.879 118.700 0.173 0.000 2.159 280 N HA 0.065 4.805 4.740 0.001 0.000 0.217 280 N C 0.076 175.633 175.510 0.079 0.000 1.223 280 N CA -0.067 53.058 53.050 0.124 0.000 0.896 280 N CB 0.591 39.141 38.487 0.104 0.000 1.064 280 N HN 0.005 nan 8.380 nan 0.000 0.518 281 S N -0.318 115.416 115.700 0.056 0.000 2.667 281 S HA 0.454 4.925 4.470 0.001 0.000 0.292 281 S C -0.801 173.797 174.600 -0.002 0.000 1.126 281 S CA -0.431 57.789 58.200 0.033 0.000 0.881 281 S CB 1.238 64.463 63.200 0.041 0.000 1.132 281 S HN -0.114 nan 8.310 nan 0.000 0.492 282 K N 1.773 122.173 120.400 -0.001 0.000 2.895 282 K HA 0.232 4.552 4.320 0.001 0.000 0.200 282 K C 0.179 176.772 176.600 -0.011 0.000 1.133 282 K CA 0.012 56.286 56.287 -0.021 0.000 1.060 282 K CB 0.721 33.214 32.500 -0.012 0.000 0.735 282 K HN 0.483 nan 8.250 nan 0.000 0.451 283 Q N 0.162 119.967 119.800 0.009 0.000 2.436 283 Q HA 0.150 4.490 4.340 0.001 0.000 0.209 283 Q C 0.029 176.030 176.000 0.002 0.000 0.965 283 Q CA 0.777 56.595 55.803 0.024 0.000 0.910 283 Q CB 0.224 29.006 28.738 0.073 0.000 0.980 283 Q HN 0.239 nan 8.270 nan 0.000 0.491 284 L N 0.024 121.236 121.223 -0.018 0.000 2.362 284 L HA 0.392 4.732 4.340 0.001 0.000 0.271 284 L C 0.186 177.019 176.870 -0.061 0.000 1.002 284 L CA -0.968 53.845 54.840 -0.045 0.000 0.818 284 L CB 1.985 44.021 42.059 -0.039 0.000 1.298 284 L HN 0.017 nan 8.230 nan 0.000 0.420 285 T N -1.047 113.469 114.554 -0.063 0.000 2.663 285 T HA 0.031 4.382 4.350 0.001 0.000 0.325 285 T C 1.071 175.732 174.700 -0.065 0.000 1.059 285 T CA -0.433 61.632 62.100 -0.059 0.000 1.039 285 T CB 0.521 69.356 68.868 -0.056 0.000 0.996 285 T HN 0.440 nan 8.240 nan 0.000 0.539 286 M N 0.485 120.052 119.600 -0.055 0.000 2.558 286 M HA 0.113 4.593 4.480 0.001 0.000 0.255 286 M C 2.263 178.539 176.300 -0.039 0.000 1.113 286 M CA 0.305 55.572 55.300 -0.055 0.000 1.097 286 M CB -1.616 30.963 32.600 -0.036 0.000 1.426 286 M HN 0.652 nan 8.290 nan 0.000 0.488 287 V N 0.449 120.340 119.914 -0.039 0.000 2.591 287 V HA -0.146 3.974 4.120 0.001 0.000 0.249 287 V C 1.918 177.988 176.094 -0.041 0.000 1.053 287 V CA 1.754 64.033 62.300 -0.034 0.000 1.068 287 V CB -0.039 31.761 31.823 -0.038 0.000 0.689 287 V HN 0.440 nan 8.190 nan 0.000 0.462 288 E N -0.346 119.822 120.200 -0.054 0.000 2.122 288 E HA -0.122 4.228 4.350 0.001 0.000 0.190 288 E C 2.237 178.813 176.600 -0.040 0.000 0.977 288 E CA 0.856 57.219 56.400 -0.061 0.000 0.820 288 E CB -0.069 29.581 29.700 -0.084 0.000 0.770 288 E HN 0.556 nan 8.360 nan 0.000 0.462 289 K N 0.813 121.184 120.400 -0.049 0.000 2.063 289 K HA -0.203 4.118 4.320 0.001 0.000 0.208 289 K C 2.244 178.842 176.600 -0.003 0.000 1.048 289 K CA 1.260 57.517 56.287 -0.050 0.000 0.928 289 K CB -0.110 32.313 32.500 -0.129 0.000 0.713 289 K HN -0.111 nan 8.250 nan 0.000 0.442 290 R N 1.547 122.048 120.500 0.002 0.000 2.081 290 R HA -0.051 4.290 4.340 0.001 0.000 0.235 290 R C 1.987 178.320 176.300 0.055 0.000 1.131 290 R CA 1.690 57.811 56.100 0.036 0.000 0.960 290 R CB -0.432 29.884 30.300 0.026 0.000 0.856 290 R HN 0.159 nan 8.270 nan 0.000 0.436 291 M N -0.094 119.524 119.600 0.031 0.000 2.213 291 M HA -0.141 4.339 4.480 0.001 0.000 0.263 291 M C 2.025 178.397 176.300 0.120 0.000 1.062 291 M CA 1.401 56.728 55.300 0.045 0.000 1.105 291 M CB -0.353 32.228 32.600 -0.031 0.000 1.385 291 M HN 0.167 nan 8.290 nan 0.000 0.417 292 L N 0.084 121.365 121.223 0.097 0.000 1.925 292 L HA -0.242 4.098 4.340 0.001 0.000 0.215 292 L C 2.722 179.705 176.870 0.189 0.000 1.082 292 L CA 1.136 56.065 54.840 0.148 0.000 0.764 292 L CB -0.586 41.529 42.059 0.093 0.000 0.887 292 L HN 0.305 nan 8.230 nan 0.000 0.432 293 M N 0.020 119.706 119.600 0.142 0.000 2.113 293 M HA -0.328 4.152 4.480 0.001 0.000 0.255 293 M C 2.185 178.580 176.300 0.159 0.000 1.073 293 M CA 1.967 57.353 55.300 0.145 0.000 1.091 293 M CB -1.549 31.135 32.600 0.141 0.000 1.309 293 M HN 0.266 nan 8.290 nan 0.000 0.407 294 K N -0.334 120.164 120.400 0.164 0.000 2.063 294 K HA -0.190 4.131 4.320 0.001 0.000 0.208 294 K C 2.059 178.807 176.600 0.246 0.000 1.048 294 K CA 1.533 57.926 56.287 0.176 0.000 0.928 294 K CB -0.313 32.274 32.500 0.146 0.000 0.713 294 K HN 0.239 nan 8.250 nan 0.000 0.442 295 F N 1.197 121.229 119.950 0.138 0.000 2.128 295 F HA -0.058 4.469 4.527 0.001 0.000 0.295 295 F C 1.777 177.749 175.800 0.287 0.000 1.100 295 F CA 0.948 59.084 58.000 0.226 0.000 1.260 295 F CB 0.080 39.166 39.000 0.142 0.000 1.009 295 F HN -0.050 nan 8.300 nan 0.000 0.476 296 L N -0.658 120.679 121.223 0.190 0.000 1.994 296 L HA -0.226 4.115 4.340 0.001 0.000 0.208 296 L C 2.307 179.170 176.870 -0.012 0.000 1.071 296 L CA 1.810 56.685 54.840 0.059 0.000 0.745 296 L CB -1.387 40.742 42.059 0.116 0.000 0.892 296 L HN 0.070 nan 8.230 nan 0.000 0.431 297 T N 0.150 114.737 114.554 0.055 0.000 2.822 297 T HA -0.230 4.121 4.350 0.001 0.000 0.270 297 T C 1.481 176.176 174.700 -0.009 0.000 1.064 297 T CA 1.628 63.750 62.100 0.036 0.000 1.131 297 T CB -0.334 68.584 68.868 0.083 0.000 0.858 297 T HN 0.349 nan 8.240 nan 0.000 0.483 298 F N 0.834 120.693 119.950 -0.150 0.000 2.149 298 F HA 0.011 4.539 4.527 0.001 0.000 0.294 298 F C 2.300 177.942 175.800 -0.263 0.000 1.095 298 F CA 0.148 57.997 58.000 -0.251 0.000 1.276 298 F CB -0.945 37.910 39.000 -0.242 0.000 1.023 298 F HN 0.101 nan 8.300 nan 0.000 0.480 299 C N 0.534 119.271 119.300 -0.937 0.000 2.425 299 C HA -0.114 4.346 4.460 0.001 0.000 0.277 299 C C 2.784 177.534 174.990 -0.401 0.000 1.280 299 C CA 1.103 59.599 59.018 -0.869 0.000 1.744 299 C CB -1.239 26.171 27.740 -0.550 0.000 1.989 299 C HN 0.439 nan 8.230 nan 0.000 0.491 300 V N 1.642 121.398 119.914 -0.263 0.000 2.794 300 V HA -0.179 3.941 4.120 0.001 0.000 0.260 300 V C 1.075 177.063 176.094 -0.176 0.000 1.103 300 V CA 2.287 64.499 62.300 -0.147 0.000 1.125 300 V CB -0.990 30.781 31.823 -0.086 0.000 0.702 300 V HN 0.877 nan 8.190 nan 0.000 0.494 301 E N -2.320 117.711 120.200 -0.282 0.000 4.126 301 E HA 0.106 4.456 4.350 0.001 0.000 0.198 301 E C 0.663 176.994 176.600 -0.448 0.000 1.093 301 E CA -0.423 55.789 56.400 -0.314 0.000 1.471 301 E CB -1.028 28.555 29.700 -0.194 0.000 1.190 301 E HN 0.478 nan 8.360 nan 0.000 0.407 302 Y N 1.237 121.184 120.300 -0.588 0.000 2.315 302 Y HA -0.180 4.371 4.550 0.001 0.000 0.288 302 Y C 1.739 177.556 175.900 -0.138 0.000 1.154 302 Y CA 1.519 59.240 58.100 -0.633 0.000 1.229 302 Y CB -0.112 37.835 38.460 -0.854 0.000 0.980 302 Y HN 0.271 nan 8.280 nan 0.000 0.540 303 E N 1.405 121.095 120.200 -0.850 0.000 2.511 303 E HA -0.129 4.222 4.350 0.001 0.000 0.196 303 E C 0.959 177.533 176.600 -0.043 0.000 1.066 303 E CA 0.829 56.988 56.400 -0.401 0.000 0.871 303 E CB -0.300 29.045 29.700 -0.592 0.000 0.863 303 E HN 0.789 nan 8.360 nan 0.000 0.520 304 E N 0.227 120.443 120.200 0.027 0.000 2.250 304 E HA -0.027 4.324 4.350 0.001 0.000 0.192 304 E C -0.011 176.875 176.600 0.477 0.000 0.986 304 E CA 0.455 56.991 56.400 0.226 0.000 0.849 304 E CB 0.105 29.964 29.700 0.265 0.000 0.797 304 E HN 0.388 nan 8.360 nan 0.000 0.482 305 H N 0.439 119.615 119.070 0.177 0.000 2.351 305 H HA 0.141 4.697 4.556 0.001 0.000 0.232 305 H C -1.969 173.538 175.328 0.298 0.000 1.452 305 H CA -2.948 53.242 56.048 0.236 0.000 1.236 305 H CB -0.034 29.927 29.762 0.331 0.000 1.579 305 H HN 0.070 nan 8.280 nan 0.000 0.535 306 P HA -0.100 nan 4.420 nan 0.000 0.261 306 P C -0.153 177.110 177.300 -0.060 0.000 1.288 306 P CA 0.709 63.853 63.100 0.075 0.000 0.751 306 P CB -0.144 31.560 31.700 0.007 0.000 1.103 307 D N -2.334 118.135 120.400 0.114 0.000 2.398 307 D HA 0.001 4.641 4.640 0.001 0.000 0.210 307 D C 1.317 177.715 176.300 0.164 0.000 1.094 307 D CA -0.054 54.001 54.000 0.091 0.000 0.839 307 D CB -0.006 40.845 40.800 0.084 0.000 0.963 307 D HN -0.059 nan 8.370 nan 0.000 0.506 308 E N -0.015 120.349 120.200 0.274 0.000 2.307 308 E HA 0.012 4.363 4.350 0.001 0.000 0.195 308 E C 0.402 177.211 176.600 0.347 0.000 0.975 308 E CA 0.419 57.000 56.400 0.302 0.000 0.878 308 E CB -0.053 29.813 29.700 0.277 0.000 0.845 308 E HN 0.731 nan 8.360 nan 0.000 0.488 309 Y N -1.358 119.028 120.300 0.143 0.000 2.713 309 Y HA 0.497 5.048 4.550 0.001 0.000 0.269 309 Y C 1.405 177.449 175.900 0.239 0.000 1.106 309 Y CA -0.863 57.219 58.100 -0.030 0.000 1.174 309 Y CB 0.168 38.490 38.460 -0.229 0.000 1.186 309 Y HN -0.286 nan 8.280 nan 0.000 0.555 310 R N 1.454 122.014 120.500 0.100 0.000 2.256 310 R HA -0.212 4.128 4.340 0.001 0.000 0.216 310 R C 2.098 178.435 176.300 0.063 0.000 1.080 310 R CA 2.130 58.230 56.100 -0.000 0.000 0.848 310 R CB -0.843 29.498 30.300 0.068 0.000 0.794 310 R HN 0.568 nan 8.270 nan 0.000 0.438 311 A N -0.040 122.824 122.820 0.072 0.000 2.206 311 A HA -0.062 4.259 4.320 0.001 0.000 0.211 311 A C 1.540 179.086 177.584 -0.062 0.000 1.158 311 A CA 0.599 52.599 52.037 -0.061 0.000 0.761 311 A CB -0.359 18.536 19.000 -0.176 0.000 0.801 311 A HN 0.450 nan 8.150 nan 0.000 0.473 312 Y N 0.489 120.841 120.300 0.086 0.000 2.616 312 Y HA -0.022 4.529 4.550 0.001 0.000 0.296 312 Y C 2.001 177.964 175.900 0.105 0.000 1.154 312 Y CA 0.570 58.741 58.100 0.119 0.000 1.325 312 Y CB -0.480 38.081 38.460 0.168 0.000 1.007 312 Y HN 0.438 nan 8.280 nan 0.000 0.542 313 E N 0.144 120.485 120.200 0.235 0.000 2.086 313 E HA -0.228 4.122 4.350 0.001 0.000 0.200 313 E C 2.491 179.176 176.600 0.142 0.000 1.012 313 E CA 1.260 57.776 56.400 0.194 0.000 0.812 313 E CB -0.466 29.319 29.700 0.142 0.000 0.743 313 E HN 0.613 nan 8.360 nan 0.000 0.453 314 G N 0.358 109.220 108.800 0.104 0.000 2.471 314 G HA2 -0.166 3.795 3.960 0.001 0.000 0.219 314 G HA3 -0.166 3.795 3.960 0.001 0.000 0.219 314 G C 0.986 175.943 174.900 0.095 0.000 1.125 314 G CA 0.899 46.047 45.100 0.081 0.000 0.775 314 G HN 0.203 nan 8.290 nan 0.000 0.548 315 T N -0.365 114.265 114.554 0.128 0.000 2.849 315 T HA 0.475 4.825 4.350 0.001 0.000 0.276 315 T C 1.124 175.932 174.700 0.181 0.000 0.971 315 T CA 0.217 62.404 62.100 0.146 0.000 0.949 315 T CB 0.895 69.863 68.868 0.166 0.000 1.093 315 T HN 0.247 nan 8.240 nan 0.000 0.545 316 T N -0.175 114.489 114.554 0.182 0.000 2.771 316 T HA 0.297 4.647 4.350 0.001 0.000 0.290 316 T C 0.887 175.763 174.700 0.294 0.000 1.005 316 T CA -0.428 61.794 62.100 0.205 0.000 0.944 316 T CB 0.191 69.158 68.868 0.166 0.000 1.147 316 T HN 0.500 nan 8.240 nan 0.000 0.534 317 F N 0.163 120.191 119.950 0.129 0.000 2.179 317 F HA 0.132 4.659 4.527 0.001 0.000 0.292 317 F C 2.881 178.787 175.800 0.176 0.000 1.089 317 F CA 1.514 59.613 58.000 0.166 0.000 1.295 317 F CB -0.923 38.132 39.000 0.092 0.000 1.041 317 F HN 0.623 nan 8.300 nan 0.000 0.487 318 S N 0.076 115.779 115.700 0.005 0.000 2.374 318 S HA -0.230 4.241 4.470 0.001 0.000 0.227 318 S C 2.045 176.576 174.600 -0.115 0.000 1.037 318 S CA 1.792 59.907 58.200 -0.141 0.000 1.024 318 S CB -0.529 62.665 63.200 -0.011 0.000 0.861 318 S HN 0.552 nan 8.310 nan 0.000 0.456 319 E N -0.618 119.596 120.200 0.023 0.000 2.038 319 E HA -0.191 4.159 4.350 0.001 0.000 0.195 319 E C 1.895 178.550 176.600 0.092 0.000 1.000 319 E CA 1.607 58.049 56.400 0.070 0.000 0.803 319 E CB -0.448 29.335 29.700 0.138 0.000 0.750 319 E HN 0.789 nan 8.360 nan 0.000 0.448 320 Y N 1.836 122.149 120.300 0.021 0.000 2.114 320 Y HA -0.230 4.320 4.550 0.001 0.000 0.282 320 Y C 2.036 177.806 175.900 -0.216 0.000 1.165 320 Y CA 1.419 59.505 58.100 -0.024 0.000 1.148 320 Y CB -0.502 37.939 38.460 -0.032 0.000 0.972 320 Y HN -0.043 nan 8.280 nan 0.000 0.504 321 L N 0.175 121.001 121.223 -0.661 0.000 2.187 321 L HA -0.257 4.083 4.340 0.001 0.000 0.213 321 L C 2.461 179.022 176.870 -0.514 0.000 1.100 321 L CA 1.577 55.959 54.840 -0.763 0.000 0.765 321 L CB -0.589 41.048 42.059 -0.704 0.000 0.904 321 L HN 0.255 nan 8.230 nan 0.000 0.437 322 K N -0.051 120.157 120.400 -0.320 0.000 2.001 322 K HA -0.171 4.150 4.320 0.001 0.000 0.214 322 K C 1.400 177.883 176.600 -0.195 0.000 1.050 322 K CA 1.941 58.107 56.287 -0.202 0.000 0.934 322 K CB -0.475 31.967 32.500 -0.097 0.000 0.718 322 K HN 0.376 nan 8.250 nan 0.000 0.443 323 T N 0.799 115.257 114.554 -0.159 0.000 3.820 323 T HA 0.108 4.459 4.350 0.001 0.000 0.224 323 T C -0.099 174.477 174.700 -0.207 0.000 0.869 323 T CA -0.383 61.657 62.100 -0.099 0.000 0.932 323 T CB 0.010 68.932 68.868 0.090 0.000 1.259 323 T HN -0.045 nan 8.240 nan 0.000 0.676 324 Q N 0.615 120.239 119.800 -0.293 0.000 2.484 324 Q HA 0.393 4.733 4.340 0.001 0.000 0.285 324 Q C -0.432 175.417 176.000 -0.253 0.000 1.097 324 Q CA -0.913 54.697 55.803 -0.323 0.000 0.802 324 Q CB 2.001 30.421 28.738 -0.531 0.000 1.444 324 Q HN 0.383 nan 8.270 nan 0.000 0.429 325 K N 1.391 121.672 120.400 -0.199 0.000 2.715 325 K HA 0.292 4.612 4.320 0.001 0.000 0.248 325 K C -0.524 175.953 176.600 -0.204 0.000 1.276 325 K CA 0.216 56.415 56.287 -0.148 0.000 1.209 325 K CB -0.439 32.017 32.500 -0.074 0.000 1.509 325 K HN 0.223 nan 8.250 nan 0.000 0.261 326 L N 0.304 121.369 121.223 -0.264 0.000 2.464 326 L HA 0.238 4.579 4.340 0.001 0.000 0.266 326 L C 0.647 177.380 176.870 -0.229 0.000 0.965 326 L CA -0.984 53.679 54.840 -0.296 0.000 0.833 326 L CB 2.039 43.801 42.059 -0.496 0.000 1.296 326 L HN 0.276 nan 8.230 nan 0.000 0.405 327 T N -1.150 113.292 114.554 -0.188 0.000 2.652 327 T HA 0.169 4.519 4.350 0.001 0.000 0.345 327 T C -1.701 172.898 174.700 -0.168 0.000 1.051 327 T CA -0.691 61.313 62.100 -0.160 0.000 1.021 327 T CB 0.232 69.011 68.868 -0.148 0.000 1.141 327 T HN 0.510 nan 8.240 nan 0.000 0.518 328 P HA -0.028 nan 4.420 nan 0.000 0.220 328 P C 1.434 178.660 177.300 -0.123 0.000 1.154 328 P CA 0.658 63.685 63.100 -0.121 0.000 0.830 328 P CB -0.066 31.569 31.700 -0.108 0.000 0.803 329 N N 1.290 119.872 118.700 -0.196 0.000 2.000 329 N HA -0.146 4.595 4.740 0.001 0.000 0.198 329 N C 1.969 177.263 175.510 -0.360 0.000 1.057 329 N CA 1.597 54.457 53.050 -0.317 0.000 0.858 329 N CB -1.016 37.255 38.487 -0.360 0.000 1.057 329 N HN 0.072 nan 8.380 nan 0.000 0.423 330 L N 0.585 121.624 121.223 -0.307 0.000 2.079 330 L HA -0.144 4.196 4.340 0.001 0.000 0.210 330 L C 2.786 179.583 176.870 -0.123 0.000 1.081 330 L CA 1.227 55.939 54.840 -0.214 0.000 0.752 330 L CB -0.593 41.367 42.059 -0.164 0.000 0.896 330 L HN 0.377 nan 8.230 nan 0.000 0.433 331 Q N -0.965 118.738 119.800 -0.161 0.000 2.234 331 Q HA -0.254 4.086 4.340 0.001 0.000 0.206 331 Q C 2.079 178.039 176.000 -0.067 0.000 0.980 331 Q CA 1.609 57.306 55.803 -0.176 0.000 0.869 331 Q CB -0.050 28.570 28.738 -0.196 0.000 0.912 331 Q HN 0.487 nan 8.270 nan 0.000 0.436 332 Y N -0.588 119.649 120.300 -0.105 0.000 2.153 332 Y HA -0.198 4.353 4.550 0.001 0.000 0.289 332 Y C 1.634 177.662 175.900 0.212 0.000 1.119 332 Y CA 1.391 59.518 58.100 0.044 0.000 1.116 332 Y CB -0.347 38.157 38.460 0.073 0.000 1.004 332 Y HN 0.088 nan 8.280 nan 0.000 0.501 333 F N -0.210 119.825 119.950 0.141 0.000 2.087 333 F HA -0.276 4.251 4.527 0.001 0.000 0.299 333 F C 2.532 178.304 175.800 -0.046 0.000 1.100 333 F CA 1.454 59.489 58.000 0.057 0.000 1.226 333 F CB -1.499 37.547 39.000 0.076 0.000 0.983 333 F HN -0.046 nan 8.300 nan 0.000 0.479 334 V N -0.189 119.823 119.914 0.162 0.000 2.295 334 V HA -0.266 3.855 4.120 0.001 0.000 0.246 334 V C 2.420 178.552 176.094 0.064 0.000 1.049 334 V CA 1.594 63.951 62.300 0.096 0.000 1.024 334 V CB -0.886 31.026 31.823 0.148 0.000 0.648 334 V HN 0.256 nan 8.190 nan 0.000 0.447 335 L N -0.690 120.502 121.223 -0.052 0.000 2.046 335 L HA -0.146 4.194 4.340 0.001 0.000 0.208 335 L C 2.381 179.085 176.870 -0.276 0.000 1.077 335 L CA 2.078 56.818 54.840 -0.167 0.000 0.747 335 L CB -0.682 41.095 42.059 -0.469 0.000 0.896 335 L HN 0.430 nan 8.230 nan 0.000 0.432 336 H N -2.711 116.305 119.070 -0.090 0.000 2.506 336 H HA 0.296 4.852 4.556 0.001 0.000 0.289 336 H C 2.123 177.432 175.328 -0.032 0.000 1.009 336 H CA 1.023 57.005 56.048 -0.110 0.000 1.303 336 H CB 0.243 29.803 29.762 -0.336 0.000 1.453 336 H HN 0.290 nan 8.280 nan 0.000 0.526 337 S N 0.188 115.921 115.700 0.056 0.000 2.475 337 S HA 0.087 4.557 4.470 0.001 0.000 0.224 337 S C 1.952 176.477 174.600 -0.124 0.000 1.042 337 S CA 0.040 58.252 58.200 0.021 0.000 0.935 337 S CB 0.637 63.801 63.200 -0.061 0.000 0.801 337 S HN 0.106 nan 8.310 nan 0.000 0.509 338 I N 1.664 122.057 120.570 -0.295 0.000 2.512 338 I HA 0.186 4.357 4.170 0.001 0.000 0.247 338 I C 2.549 178.444 176.117 -0.371 0.000 1.094 338 I CA 0.921 61.731 61.300 -0.816 0.000 1.427 338 I CB -1.609 36.054 38.000 -0.561 0.000 1.149 338 I HN 0.209 nan 8.210 nan 0.000 0.438 339 A N 0.167 122.937 122.820 -0.083 0.000 1.855 339 A HA -0.043 4.277 4.320 0.001 0.000 0.213 339 A C 1.689 179.341 177.584 0.112 0.000 1.195 339 A CA 1.321 53.359 52.037 0.003 0.000 0.610 339 A CB -0.305 18.685 19.000 -0.017 0.000 0.837 339 A HN 0.444 nan 8.150 nan 0.000 0.444 340 M N -0.495 119.180 119.600 0.125 0.000 2.899 340 M HA -0.167 4.314 4.480 0.001 0.000 0.195 340 M C 0.213 176.611 176.300 0.165 0.000 0.603 340 M CA 0.693 56.100 55.300 0.179 0.000 0.712 340 M CB -2.519 30.236 32.600 0.258 0.000 2.569 340 M HN 0.624 nan 8.290 nan 0.000 0.406 341 T N -2.949 111.681 114.554 0.127 0.000 2.847 341 T HA 0.436 4.787 4.350 0.001 0.000 0.279 341 T C 0.471 175.263 174.700 0.153 0.000 0.984 341 T CA -0.462 61.706 62.100 0.113 0.000 0.988 341 T CB 1.818 70.709 68.868 0.039 0.000 1.040 341 T HN 0.222 nan 8.240 nan 0.000 0.528 342 S N 1.657 117.447 115.700 0.149 0.000 2.519 342 S HA 0.009 4.480 4.470 0.001 0.000 0.310 342 S C 1.678 176.385 174.600 0.177 0.000 1.201 342 S CA -0.557 57.748 58.200 0.176 0.000 1.179 342 S CB -0.306 62.997 63.200 0.172 0.000 1.104 342 S HN 0.811 nan 8.310 nan 0.000 0.527 343 E N 4.376 124.688 120.200 0.187 0.000 2.331 343 E HA -0.163 4.187 4.350 0.001 0.000 0.199 343 E C 1.235 177.927 176.600 0.153 0.000 1.008 343 E CA 1.882 58.385 56.400 0.173 0.000 0.843 343 E CB -0.630 29.152 29.700 0.136 0.000 0.761 343 E HN 0.787 nan 8.360 nan 0.000 0.507 344 T N -2.322 112.319 114.554 0.144 0.000 3.111 344 T HA 0.050 4.400 4.350 0.001 0.000 0.236 344 T C 1.544 176.321 174.700 0.128 0.000 0.984 344 T CA 0.713 62.886 62.100 0.122 0.000 1.195 344 T CB -0.715 68.213 68.868 0.100 0.000 0.929 344 T HN 0.014 nan 8.240 nan 0.000 0.431 345 T N 3.372 118.010 114.554 0.139 0.000 3.667 345 T HA 0.403 4.754 4.350 0.001 0.000 0.240 345 T C 0.127 174.897 174.700 0.117 0.000 0.919 345 T CA 0.147 62.324 62.100 0.129 0.000 0.928 345 T CB -1.012 67.944 68.868 0.147 0.000 1.151 345 T HN 0.716 nan 8.240 nan 0.000 0.644 346 S N 0.266 116.041 115.700 0.126 0.000 2.626 346 S HA 0.417 4.888 4.470 0.001 0.000 0.275 346 S C 0.074 174.766 174.600 0.153 0.000 1.175 346 S CA -1.318 56.950 58.200 0.113 0.000 0.982 346 S CB 0.113 63.373 63.200 0.100 0.000 1.093 346 S HN 0.498 nan 8.310 nan 0.000 0.472 347 C N 2.543 121.916 119.300 0.121 0.000 2.480 347 C HA 0.634 5.095 4.460 0.001 0.000 0.358 347 C C 2.183 177.278 174.990 0.176 0.000 1.309 347 C CA 0.537 59.647 59.018 0.153 0.000 2.465 347 C CB -0.204 27.606 27.740 0.116 0.000 2.379 347 C HN 0.953 nan 8.230 nan 0.000 0.642 348 T N 1.512 116.204 114.554 0.230 0.000 2.653 348 T HA -0.190 4.161 4.350 0.001 0.000 0.268 348 T C 1.822 176.472 174.700 -0.082 0.000 1.035 348 T CA 2.365 64.600 62.100 0.224 0.000 1.154 348 T CB -0.495 68.396 68.868 0.038 0.000 0.862 348 T HN 0.678 nan 8.240 nan 0.000 0.441 349 V N 2.010 121.858 119.914 -0.109 0.000 2.233 349 V HA -0.241 3.880 4.120 0.001 0.000 0.247 349 V C 2.286 178.166 176.094 -0.356 0.000 1.050 349 V CA 2.289 64.424 62.300 -0.275 0.000 1.010 349 V CB -0.902 30.898 31.823 -0.039 0.000 0.637 349 V HN 0.465 nan 8.190 nan 0.000 0.444 350 D N 0.654 120.937 120.400 -0.194 0.000 2.172 350 D HA -0.158 4.483 4.640 0.001 0.000 0.196 350 D C 2.094 178.168 176.300 -0.377 0.000 0.999 350 D CA 1.649 55.531 54.000 -0.197 0.000 0.856 350 D CB -0.571 40.182 40.800 -0.077 0.000 0.934 350 D HN 0.497 nan 8.370 nan 0.000 0.453 351 G N -0.014 108.434 108.800 -0.586 0.000 2.394 351 G HA2 -0.132 3.829 3.960 0.001 0.000 0.214 351 G HA3 -0.132 3.829 3.960 0.001 0.000 0.214 351 G C 1.603 175.627 174.900 -1.460 0.000 1.176 351 G CA 0.087 44.357 45.100 -1.383 0.000 0.786 351 G HN 0.216 nan 8.290 nan 0.000 0.533 352 L N 0.196 120.726 121.223 -1.155 0.000 2.017 352 L HA -0.030 4.310 4.340 0.001 0.000 0.208 352 L C 2.839 179.132 176.870 -0.961 0.000 1.073 352 L CA 1.484 55.712 54.840 -1.019 0.000 0.745 352 L CB -0.266 40.971 42.059 -1.371 0.000 0.894 352 L HN 0.214 nan 8.230 nan 0.000 0.432 353 K N 0.189 120.058 120.400 -0.885 0.000 2.152 353 K HA -0.222 4.098 4.320 0.001 0.000 0.206 353 K C 2.007 178.468 176.600 -0.231 0.000 1.048 353 K CA 1.373 57.441 56.287 -0.366 0.000 0.933 353 K CB -0.032 32.356 32.500 -0.186 0.000 0.721 353 K HN 0.312 nan 8.250 nan 0.000 0.447 354 A N 0.450 123.094 122.820 -0.294 0.000 1.898 354 A HA -0.106 4.215 4.320 0.001 0.000 0.216 354 A C 2.140 179.681 177.584 -0.072 0.000 1.181 354 A CA 1.996 53.938 52.037 -0.159 0.000 0.620 354 A CB -0.887 18.015 19.000 -0.162 0.000 0.819 354 A HN 0.417 nan 8.150 nan 0.000 0.442 355 T N -0.126 114.326 114.554 -0.169 0.000 2.708 355 T HA -0.167 4.184 4.350 0.001 0.000 0.266 355 T C 1.975 176.672 174.700 -0.004 0.000 1.037 355 T CA 1.662 63.716 62.100 -0.077 0.000 1.146 355 T CB -0.219 68.568 68.868 -0.135 0.000 0.865 355 T HN 0.597 nan 8.240 nan 0.000 0.435 356 K N 1.266 121.623 120.400 -0.072 0.000 2.032 356 K HA -0.200 4.120 4.320 0.001 0.000 0.209 356 K C 2.392 179.000 176.600 0.012 0.000 1.048 356 K CA 1.614 57.889 56.287 -0.020 0.000 0.927 356 K CB -0.152 32.372 32.500 0.040 0.000 0.712 356 K HN 0.226 nan 8.250 nan 0.000 0.441 357 K N -0.094 120.305 120.400 -0.002 0.000 2.009 357 K HA -0.208 4.113 4.320 0.001 0.000 0.210 357 K C 2.064 178.699 176.600 0.058 0.000 1.049 357 K CA 1.804 58.070 56.287 -0.036 0.000 0.929 357 K CB -0.354 32.060 32.500 -0.143 0.000 0.714 357 K HN 0.177 nan 8.250 nan 0.000 0.440 358 F N 1.579 121.534 119.950 0.009 0.000 2.043 358 F HA -0.275 4.252 4.527 0.001 0.000 0.297 358 F C 1.883 177.674 175.800 -0.015 0.000 1.121 358 F CA 1.721 59.756 58.000 0.059 0.000 1.199 358 F CB -0.217 38.819 39.000 0.060 0.000 0.968 358 F HN 0.001 nan 8.300 nan 0.000 0.478 359 L N -0.086 121.351 121.223 0.358 0.000 2.012 359 L HA -0.281 4.059 4.340 0.001 0.000 0.210 359 L C 2.511 179.417 176.870 0.060 0.000 1.073 359 L CA 1.679 56.646 54.840 0.211 0.000 0.748 359 L CB -0.954 41.181 42.059 0.126 0.000 0.891 359 L HN 0.257 nan 8.230 nan 0.000 0.431 360 Q N -1.055 118.758 119.800 0.022 0.000 2.170 360 Q HA -0.200 4.140 4.340 0.001 0.000 0.203 360 Q C 2.344 178.315 176.000 -0.048 0.000 0.976 360 Q CA 1.567 57.357 55.803 -0.021 0.000 0.858 360 Q CB -0.276 28.442 28.738 -0.033 0.000 0.907 360 Q HN 0.580 nan 8.270 nan 0.000 0.433 361 C N 0.298 119.560 119.300 -0.062 0.000 2.500 361 C HA 0.064 4.525 4.460 0.001 0.000 0.273 361 C C 0.898 175.799 174.990 -0.148 0.000 1.428 361 C CA -0.662 58.301 59.018 -0.093 0.000 1.766 361 C CB -0.979 26.722 27.740 -0.065 0.000 1.817 361 C HN 0.288 nan 8.230 nan 0.000 0.543 362 L N 0.748 121.887 121.223 -0.141 0.000 2.467 362 L HA 0.371 4.712 4.340 0.001 0.000 0.270 362 L C 1.616 178.436 176.870 -0.084 0.000 1.205 362 L CA 1.895 56.663 54.840 -0.119 0.000 0.828 362 L CB -0.250 41.787 42.059 -0.035 0.000 1.101 362 L HN 0.468 nan 8.230 nan 0.000 0.479 363 G N 1.687 110.447 108.800 -0.067 0.000 2.205 363 G HA2 -0.421 3.539 3.960 0.001 0.000 0.269 363 G HA3 -0.421 3.539 3.960 0.001 0.000 0.269 363 G C 1.557 176.387 174.900 -0.116 0.000 0.977 363 G CA 1.056 46.120 45.100 -0.060 0.000 0.652 363 G HN 0.676 nan 8.290 nan 0.000 0.539 364 R N -1.170 119.222 120.500 -0.180 0.000 2.115 364 R HA 0.056 4.396 4.340 0.001 0.000 0.230 364 R C 1.801 177.730 176.300 -0.617 0.000 1.111 364 R CA 2.109 57.974 56.100 -0.392 0.000 0.976 364 R CB -0.124 29.913 30.300 -0.438 0.000 0.870 364 R HN 0.582 nan 8.270 nan 0.000 0.445 365 Y N -2.832 117.445 120.300 -0.039 0.000 2.524 365 Y HA 0.413 4.963 4.550 0.001 0.000 0.276 365 Y C 0.853 176.746 175.900 -0.011 0.000 1.155 365 Y CA 0.151 58.237 58.100 -0.024 0.000 1.165 365 Y CB 1.059 39.504 38.460 -0.026 0.000 1.306 365 Y HN 0.130 nan 8.280 nan 0.000 0.522 366 G N -0.132 108.741 108.800 0.121 0.000 2.947 366 G HA2 0.139 4.099 3.960 0.001 0.000 0.293 366 G HA3 0.139 4.099 3.960 0.001 0.000 0.293 366 G C -0.282 174.637 174.900 0.033 0.000 1.243 366 G CA -0.208 44.938 45.100 0.076 0.000 0.802 366 G HN 0.030 nan 8.290 nan 0.000 0.560 367 N N -0.298 118.423 118.700 0.035 0.000 2.383 367 N HA 0.062 4.803 4.740 0.001 0.000 0.192 367 N C 0.517 176.032 175.510 0.008 0.000 1.141 367 N CA 0.886 53.952 53.050 0.028 0.000 0.851 367 N CB 0.274 38.788 38.487 0.045 0.000 0.976 367 N HN 0.675 nan 8.380 nan 0.000 0.465 368 T N -3.479 111.056 114.554 -0.032 0.000 2.864 368 T HA 0.458 4.809 4.350 0.001 0.000 0.289 368 T C -2.769 171.757 174.700 -0.290 0.000 1.082 368 T CA -1.433 60.583 62.100 -0.140 0.000 1.009 368 T CB 2.583 71.415 68.868 -0.060 0.000 1.234 368 T HN -0.223 nan 8.240 nan 0.000 0.526 369 P HA 0.343 nan 4.420 nan 0.000 0.258 369 P C -0.830 176.039 177.300 -0.718 0.000 1.416 369 P CA -0.278 62.361 63.100 -0.768 0.000 0.927 369 P CB -0.391 30.608 31.700 -1.168 0.000 1.444 370 F N -0.005 119.838 119.950 -0.179 0.000 2.546 370 F HA 0.509 5.036 4.527 0.001 0.000 0.320 370 F C 0.414 176.200 175.800 -0.025 0.000 1.076 370 F CA -1.315 56.597 58.000 -0.145 0.000 0.928 370 F CB 2.149 41.039 39.000 -0.184 0.000 1.189 370 F HN -0.370 nan 8.300 nan 0.000 0.465 371 L N 2.249 123.611 121.223 0.232 0.000 2.354 371 L HA 0.586 4.926 4.340 0.001 0.000 0.264 371 L C -1.538 175.514 176.870 0.305 0.000 1.008 371 L CA -0.953 54.001 54.840 0.190 0.000 0.819 371 L CB 2.730 44.802 42.059 0.021 0.000 1.339 371 L HN 0.518 nan 8.230 nan 0.000 0.420 372 F N 3.634 123.679 119.950 0.158 0.000 2.547 372 F HA 0.600 5.128 4.527 0.001 0.000 0.316 372 F C -2.472 173.397 175.800 0.115 0.000 1.121 372 F CA -2.099 55.975 58.000 0.123 0.000 0.911 372 F CB 2.341 41.368 39.000 0.044 0.000 1.179 372 F HN 0.128 nan 8.300 nan 0.000 0.443 373 P HA 0.108 nan 4.420 nan 0.000 0.276 373 P C -0.587 176.398 177.300 -0.525 0.000 1.235 373 P CA -0.213 62.483 63.100 -0.673 0.000 0.772 373 P CB 1.426 32.715 31.700 -0.686 0.000 0.871 374 L N 5.835 126.842 121.223 -0.360 0.000 2.540 374 L HA -0.066 4.275 4.340 0.001 0.000 0.276 374 L C 0.858 177.607 176.870 -0.203 0.000 1.212 374 L CA 0.971 55.643 54.840 -0.280 0.000 0.893 374 L CB -1.284 40.593 42.059 -0.303 0.000 1.138 374 L HN 0.464 nan 8.230 nan 0.000 0.491 375 Y N 1.208 121.465 120.300 -0.072 0.000 4.884 375 Y HA -0.166 4.384 4.550 0.001 0.000 0.276 375 Y C 1.033 176.898 175.900 -0.058 0.000 0.915 375 Y CA 1.048 59.111 58.100 -0.061 0.000 1.768 375 Y CB -1.815 36.582 38.460 -0.105 0.000 1.172 375 Y HN 1.093 nan 8.280 nan 0.000 0.470 376 G N -0.520 108.237 108.800 -0.072 0.000 2.555 376 G HA2 -0.080 3.881 3.960 0.001 0.000 0.686 376 G HA3 -0.080 3.881 3.960 0.001 0.000 0.686 376 G C -0.099 174.605 174.900 -0.326 0.000 1.275 376 G CA -0.199 44.791 45.100 -0.182 0.000 0.871 376 G HN 0.041 nan 8.290 nan 0.000 0.603 377 Q N -0.079 119.546 119.800 -0.292 0.000 2.248 377 Q HA -0.129 4.211 4.340 0.001 0.000 0.208 377 Q C 2.731 178.725 176.000 -0.010 0.000 0.984 377 Q CA 2.468 58.192 55.803 -0.131 0.000 0.875 377 Q CB -0.578 28.171 28.738 0.017 0.000 0.910 377 Q HN 1.128 nan 8.270 nan 0.000 0.433 378 G N 0.596 109.389 108.800 -0.012 0.000 2.498 378 G HA2 -0.212 3.749 3.960 0.001 0.000 0.219 378 G HA3 -0.212 3.749 3.960 0.001 0.000 0.219 378 G C 1.173 176.060 174.900 -0.022 0.000 1.119 378 G CA 0.363 45.464 45.100 0.002 0.000 0.766 378 G HN 0.277 nan 8.290 nan 0.000 0.552 379 E N 0.314 120.476 120.200 -0.063 0.000 2.285 379 E HA 0.053 4.404 4.350 0.001 0.000 0.194 379 E C 2.617 179.179 176.600 -0.065 0.000 0.997 379 E CA 0.018 56.361 56.400 -0.094 0.000 0.845 379 E CB -0.144 29.477 29.700 -0.132 0.000 0.782 379 E HN 0.463 nan 8.360 nan 0.000 0.491 380 L N 0.788 122.005 121.223 -0.009 0.000 2.012 380 L HA -0.152 4.189 4.340 0.001 0.000 0.210 380 L C -0.442 176.519 176.870 0.152 0.000 1.073 380 L CA 1.483 56.370 54.840 0.078 0.000 0.748 380 L CB -1.804 40.334 42.059 0.132 0.000 0.891 380 L HN 0.093 nan 8.230 nan 0.000 0.431 381 P HA -0.153 nan 4.420 nan 0.000 0.218 381 P C 1.477 178.816 177.300 0.066 0.000 1.149 381 P CA 1.167 64.332 63.100 0.107 0.000 0.817 381 P CB 0.044 31.788 31.700 0.072 0.000 0.785 382 Q N -1.540 118.216 119.800 -0.073 0.000 2.172 382 Q HA -0.111 4.229 4.340 0.001 0.000 0.200 382 Q C 2.078 177.930 176.000 -0.246 0.000 0.964 382 Q CA 1.156 56.781 55.803 -0.296 0.000 0.855 382 Q CB -0.752 27.760 28.738 -0.377 0.000 0.918 382 Q HN 0.259 nan 8.270 nan 0.000 0.444 383 C N -0.047 119.174 119.300 -0.132 0.000 2.432 383 C HA -0.137 4.324 4.460 0.001 0.000 0.277 383 C C 2.278 177.200 174.990 -0.114 0.000 1.249 383 C CA 0.674 59.634 59.018 -0.096 0.000 1.725 383 C CB -1.018 26.634 27.740 -0.148 0.000 2.028 383 C HN 0.451 nan 8.230 nan 0.000 0.477 384 F N 0.265 120.234 119.950 0.030 0.000 2.146 384 F HA -0.137 4.391 4.527 0.001 0.000 0.298 384 F C 2.665 178.496 175.800 0.052 0.000 1.096 384 F CA 1.483 59.507 58.000 0.040 0.000 1.275 384 F CB -0.890 38.110 39.000 0.001 0.000 1.008 384 F HN 0.219 nan 8.300 nan 0.000 0.480 385 C N -0.168 119.224 119.300 0.154 0.000 2.411 385 C HA -0.178 4.282 4.460 0.001 0.000 0.279 385 C C 2.864 177.775 174.990 -0.132 0.000 1.288 385 C CA 0.960 60.019 59.018 0.069 0.000 1.764 385 C CB -1.184 26.420 27.740 -0.227 0.000 1.974 385 C HN 0.417 nan 8.230 nan 0.000 0.498 386 R N 0.531 120.894 120.500 -0.228 0.000 2.073 386 R HA -0.147 4.193 4.340 0.001 0.000 0.234 386 R C 2.322 178.603 176.300 -0.032 0.000 1.134 386 R CA 1.737 57.662 56.100 -0.292 0.000 0.952 386 R CB -0.444 29.488 30.300 -0.614 0.000 0.850 386 R HN 0.562 nan 8.270 nan 0.000 0.433 387 M N 0.164 119.857 119.600 0.156 0.000 2.149 387 M HA -0.244 4.236 4.480 0.001 0.000 0.261 387 M C 2.453 178.960 176.300 0.345 0.000 1.064 387 M CA 1.999 57.482 55.300 0.305 0.000 1.102 387 M CB -0.362 32.389 32.600 0.253 0.000 1.369 387 M HN 0.462 nan 8.290 nan 0.000 0.408 388 C N 0.600 120.072 119.300 0.287 0.000 2.436 388 C HA -0.076 4.385 4.460 0.001 0.000 0.277 388 C C 2.889 178.085 174.990 0.344 0.000 1.241 388 C CA 1.409 60.623 59.018 0.328 0.000 1.721 388 C CB -1.378 26.607 27.740 0.408 0.000 2.043 388 C HN 0.705 nan 8.230 nan 0.000 0.472 389 A N 0.178 123.194 122.820 0.327 0.000 1.865 389 A HA -0.120 4.200 4.320 0.001 0.000 0.217 389 A C 2.378 180.028 177.584 0.110 0.000 1.191 389 A CA 2.498 54.678 52.037 0.239 0.000 0.623 389 A CB -1.212 17.826 19.000 0.064 0.000 0.826 389 A HN 0.519 nan 8.150 nan 0.000 0.444 390 V N -1.485 118.450 119.914 0.036 0.000 2.317 390 V HA -0.280 3.840 4.120 0.001 0.000 0.251 390 V C 1.941 177.886 176.094 -0.249 0.000 1.065 390 V CA 2.096 64.320 62.300 -0.126 0.000 1.049 390 V CB -0.849 30.876 31.823 -0.164 0.000 0.651 390 V HN 0.574 nan 8.190 nan 0.000 0.450 391 F N -0.091 119.894 119.950 0.059 0.000 2.664 391 F HA 0.466 4.994 4.527 0.001 0.000 0.301 391 F C 1.594 177.432 175.800 0.064 0.000 1.126 391 F CA 0.751 58.782 58.000 0.052 0.000 1.373 391 F CB 0.293 39.319 39.000 0.043 0.000 1.042 391 F HN 0.238 nan 8.300 nan 0.000 0.535 392 G N -0.393 108.506 108.800 0.165 0.000 2.184 392 G HA2 -0.177 3.784 3.960 0.001 0.000 0.206 392 G HA3 -0.177 3.784 3.960 0.001 0.000 0.206 392 G C 0.669 175.671 174.900 0.170 0.000 0.995 392 G CA -0.460 44.730 45.100 0.149 0.000 0.651 392 G HN 0.675 nan 8.290 nan 0.000 0.511 393 G N 0.090 109.009 108.800 0.199 0.000 2.398 393 G HA2 0.494 4.455 3.960 0.001 0.000 0.246 393 G HA3 0.494 4.455 3.960 0.001 0.000 0.246 393 G C 0.124 175.110 174.900 0.143 0.000 1.289 393 G CA -0.130 45.060 45.100 0.150 0.000 0.869 393 G HN 0.620 nan 8.290 nan 0.000 0.543 394 I N 1.496 122.062 120.570 -0.007 0.000 2.336 394 I HA 0.251 4.421 4.170 0.001 0.000 0.292 394 I C -0.726 175.262 176.117 -0.213 0.000 0.991 394 I CA -0.589 60.722 61.300 0.018 0.000 1.227 394 I CB 1.325 39.386 38.000 0.102 0.000 1.366 394 I HN 0.373 nan 8.210 nan 0.000 0.466 395 Y N 4.481 124.798 120.300 0.029 0.000 2.387 395 Y HA 0.471 5.022 4.550 0.001 0.000 0.336 395 Y C -0.181 175.703 175.900 -0.027 0.000 1.067 395 Y CA -0.388 57.718 58.100 0.010 0.000 1.114 395 Y CB 1.744 40.256 38.460 0.088 0.000 1.208 395 Y HN 0.481 nan 8.280 nan 0.000 0.458 396 C N 5.006 124.307 119.300 0.003 0.000 2.781 396 C HA 0.483 4.944 4.460 0.001 0.000 0.348 396 C C -0.244 174.734 174.990 -0.019 0.000 1.051 396 C CA -1.478 57.539 59.018 -0.002 0.000 1.347 396 C CB -0.996 26.663 27.740 -0.135 0.000 1.846 396 C HN 0.706 nan 8.230 nan 0.000 0.473 397 L N 2.183 123.391 121.223 -0.025 0.000 2.454 397 L HA 0.521 4.862 4.340 0.001 0.000 0.256 397 L C 1.030 177.907 176.870 0.013 0.000 1.136 397 L CA -0.410 54.369 54.840 -0.102 0.000 0.804 397 L CB 0.353 42.294 42.059 -0.197 0.000 1.181 397 L HN 0.762 nan 8.230 nan 0.000 0.469 398 R N -0.517 119.970 120.500 -0.022 0.000 3.627 398 R HA -0.246 4.095 4.340 0.001 0.000 0.281 398 R C -0.497 175.844 176.300 0.067 0.000 1.140 398 R CA 0.592 56.702 56.100 0.016 0.000 0.761 398 R CB -2.135 28.186 30.300 0.035 0.000 1.181 398 R HN 0.589 nan 8.270 nan 0.000 0.472 399 H N -0.262 118.785 119.070 -0.038 0.000 2.953 399 H HA 0.358 4.914 4.556 0.001 0.000 0.290 399 H C -0.600 174.670 175.328 -0.097 0.000 1.113 399 H CA -0.358 55.659 56.048 -0.052 0.000 1.454 399 H CB 0.909 30.679 29.762 0.013 0.000 1.525 399 H HN 0.151 nan 8.280 nan 0.000 0.505 400 S N 2.438 118.114 115.700 -0.038 0.000 2.652 400 S HA 0.376 4.846 4.470 0.001 0.000 0.270 400 S C -0.347 174.249 174.600 -0.008 0.000 1.243 400 S CA -0.764 57.433 58.200 -0.005 0.000 0.999 400 S CB 1.784 64.964 63.200 -0.034 0.000 0.973 400 S HN 0.329 nan 8.310 nan 0.000 0.544 401 V N 2.491 122.398 119.914 -0.011 0.000 2.495 401 V HA 0.255 4.376 4.120 0.001 0.000 0.298 401 V C 0.592 176.642 176.094 -0.073 0.000 1.031 401 V CA -0.564 61.716 62.300 -0.032 0.000 0.871 401 V CB 1.756 33.552 31.823 -0.046 0.000 0.988 401 V HN 0.783 nan 8.190 nan 0.000 0.432 402 Q N 2.032 121.758 119.800 -0.123 0.000 2.062 402 Q HA 0.063 4.403 4.340 0.001 0.000 0.196 402 Q C 0.687 176.440 176.000 -0.413 0.000 0.967 402 Q CA 1.304 56.974 55.803 -0.221 0.000 0.832 402 Q CB 0.284 28.893 28.738 -0.215 0.000 0.899 402 Q HN 0.978 nan 8.270 nan 0.000 0.442 403 C N -2.596 116.446 119.300 -0.431 0.000 3.295 403 C HA 0.693 5.154 4.460 0.001 0.000 0.341 403 C C -1.259 173.550 174.990 -0.303 0.000 1.418 403 C CA -1.462 57.274 59.018 -0.469 0.000 1.240 403 C CB 0.245 27.447 27.740 -0.897 0.000 1.562 403 C HN 0.126 nan 8.230 nan 0.000 0.457 404 L N 1.521 122.570 121.223 -0.291 0.000 2.343 404 L HA 0.749 5.090 4.340 0.001 0.000 0.275 404 L C 0.016 176.734 176.870 -0.252 0.000 1.056 404 L CA -0.379 54.296 54.840 -0.275 0.000 0.804 404 L CB 1.720 43.598 42.059 -0.303 0.000 1.203 404 L HN 0.718 nan 8.230 nan 0.000 0.440 405 V N 3.401 123.178 119.914 -0.229 0.000 2.378 405 V HA 0.457 4.578 4.120 0.001 0.000 0.288 405 V C -0.309 175.686 176.094 -0.165 0.000 1.016 405 V CA -0.729 61.485 62.300 -0.144 0.000 0.840 405 V CB 1.836 33.620 31.823 -0.064 0.000 0.994 405 V HN 0.431 nan 8.190 nan 0.000 0.431 406 V N 3.706 123.545 119.914 -0.126 0.000 2.472 406 V HA 0.350 4.470 4.120 0.001 0.000 0.290 406 V C 0.056 176.112 176.094 -0.063 0.000 1.037 406 V CA -0.619 61.613 62.300 -0.114 0.000 0.908 406 V CB 1.929 33.690 31.823 -0.104 0.000 0.985 406 V HN 0.861 nan 8.190 nan 0.000 0.454 407 D N 3.785 124.151 120.400 -0.056 0.000 2.325 407 D HA 0.137 4.778 4.640 0.001 0.000 0.251 407 D C 1.044 177.328 176.300 -0.026 0.000 1.196 407 D CA -0.019 53.963 54.000 -0.030 0.000 0.866 407 D CB 1.162 41.948 40.800 -0.023 0.000 1.101 407 D HN 0.485 nan 8.370 nan 0.000 0.476 408 K N 2.629 123.020 120.400 -0.015 0.000 2.103 408 K HA -0.149 4.172 4.320 0.001 0.000 0.207 408 K C 1.517 178.111 176.600 -0.010 0.000 1.048 408 K CA 0.960 57.240 56.287 -0.012 0.000 0.930 408 K CB 0.346 32.843 32.500 -0.003 0.000 0.716 408 K HN 0.474 nan 8.250 nan 0.000 0.444 409 E N 0.514 120.709 120.200 -0.008 0.000 1.999 409 E HA -0.141 4.210 4.350 0.001 0.000 0.194 409 E C 2.218 178.812 176.600 -0.009 0.000 0.995 409 E CA 1.786 58.182 56.400 -0.006 0.000 0.825 409 E CB -0.562 29.136 29.700 -0.003 0.000 0.777 409 E HN 0.300 nan 8.360 nan 0.000 0.459 410 S N -0.026 115.668 115.700 -0.011 0.000 2.428 410 S HA -0.059 4.412 4.470 0.001 0.000 0.230 410 S C 0.971 175.559 174.600 -0.020 0.000 1.014 410 S CA 0.597 58.789 58.200 -0.013 0.000 0.957 410 S CB 0.110 63.303 63.200 -0.011 0.000 0.784 410 S HN 0.156 nan 8.310 nan 0.000 0.499 411 R N -0.399 120.084 120.500 -0.028 0.000 3.919 411 R HA -0.049 4.291 4.340 0.001 0.000 0.412 411 R C -0.987 175.278 176.300 -0.058 0.000 1.102 411 R CA 0.837 56.913 56.100 -0.040 0.000 1.082 411 R CB -1.966 28.316 30.300 -0.031 0.000 1.671 411 R HN 0.419 nan 8.270 nan 0.000 0.540 412 K N 0.555 120.923 120.400 -0.055 0.000 2.098 412 K HA 0.260 4.580 4.320 0.001 0.000 0.261 412 K C 0.404 176.936 176.600 -0.114 0.000 0.987 412 K CA -0.486 55.760 56.287 -0.068 0.000 0.916 412 K CB 1.678 34.158 32.500 -0.032 0.000 1.039 412 K HN 0.182 nan 8.250 nan 0.000 0.455 413 C N 2.912 122.096 119.300 -0.193 0.000 2.632 413 C HA 0.169 4.630 4.460 0.001 0.000 0.415 413 C C 1.333 176.195 174.990 -0.213 0.000 1.332 413 C CA -0.039 58.743 59.018 -0.393 0.000 1.874 413 C CB -0.772 26.444 27.740 -0.873 0.000 2.596 413 C HN 0.751 nan 8.230 nan 0.000 0.590 414 K N 3.499 123.816 120.400 -0.139 0.000 2.244 414 K HA 0.438 4.759 4.320 0.001 0.000 0.200 414 K C 0.587 177.341 176.600 0.256 0.000 1.052 414 K CA 0.892 57.220 56.287 0.068 0.000 0.980 414 K CB 0.259 32.775 32.500 0.026 0.000 0.838 414 K HN 0.792 nan 8.250 nan 0.000 0.481 415 A N 0.304 123.216 122.820 0.154 0.000 2.506 415 A HA 0.574 4.894 4.320 0.001 0.000 0.305 415 A C -1.539 176.153 177.584 0.180 0.000 1.166 415 A CA -0.651 51.576 52.037 0.316 0.000 0.638 415 A CB 0.767 19.874 19.000 0.178 0.000 1.336 415 A HN -0.048 nan 8.150 nan 0.000 0.493 416 V N -2.101 117.943 119.914 0.216 0.000 3.126 416 V HA 0.894 5.015 4.120 0.001 0.000 0.314 416 V C -0.832 175.303 176.094 0.069 0.000 1.138 416 V CA -0.856 61.502 62.300 0.097 0.000 1.034 416 V CB 1.768 33.674 31.823 0.138 0.000 1.075 416 V HN 0.826 nan 8.190 nan 0.000 0.442 417 I N 2.472 123.049 120.570 0.013 0.000 2.439 417 I HA 0.442 4.613 4.170 0.001 0.000 0.285 417 I C -0.826 175.310 176.117 0.033 0.000 1.021 417 I CA -0.466 60.864 61.300 0.051 0.000 1.091 417 I CB 1.765 39.802 38.000 0.061 0.000 1.242 417 I HN 0.992 nan 8.210 nan 0.000 0.439 418 D N 4.441 124.896 120.400 0.091 0.000 2.433 418 D HA 0.025 4.666 4.640 0.001 0.000 0.255 418 D C 1.047 177.300 176.300 -0.078 0.000 1.226 418 D CA -0.542 53.488 54.000 0.050 0.000 1.015 418 D CB 0.561 41.514 40.800 0.255 0.000 1.091 418 D HN 0.657 nan 8.370 nan 0.000 0.527 419 Q N -0.809 118.797 119.800 -0.323 0.000 2.368 419 Q HA -0.149 4.191 4.340 0.001 0.000 0.210 419 Q C 1.025 176.782 176.000 -0.403 0.000 0.982 419 Q CA 1.277 56.830 55.803 -0.417 0.000 0.884 419 Q CB -0.551 27.805 28.738 -0.636 0.000 0.933 419 Q HN 0.591 nan 8.270 nan 0.000 0.460 420 F N -0.080 119.853 119.950 -0.028 0.000 2.776 420 F HA 0.357 4.884 4.527 0.001 0.000 0.300 420 F C 1.452 177.278 175.800 0.043 0.000 1.116 420 F CA 0.168 58.164 58.000 -0.007 0.000 1.375 420 F CB 0.860 39.842 39.000 -0.030 0.000 1.109 420 F HN 0.284 nan 8.300 nan 0.000 0.585 421 G N 0.819 109.733 108.800 0.190 0.000 2.144 421 G HA2 -0.275 3.685 3.960 0.001 0.000 0.218 421 G HA3 -0.275 3.685 3.960 0.001 0.000 0.218 421 G C 0.041 175.043 174.900 0.170 0.000 0.988 421 G CA -0.319 44.886 45.100 0.175 0.000 0.659 421 G HN 0.373 nan 8.290 nan 0.000 0.522 422 Q N 0.341 120.259 119.800 0.196 0.000 2.267 422 Q HA 0.539 4.880 4.340 0.001 0.000 0.255 422 Q C 0.425 176.518 176.000 0.156 0.000 0.923 422 Q CA -0.625 55.284 55.803 0.177 0.000 0.925 422 Q CB 0.497 29.364 28.738 0.216 0.000 1.195 422 Q HN 0.434 nan 8.270 nan 0.000 0.417 423 R N 3.814 124.392 120.500 0.130 0.000 2.308 423 R HA 0.423 4.763 4.340 0.001 0.000 0.305 423 R C -0.605 175.771 176.300 0.127 0.000 1.053 423 R CA -0.048 56.123 56.100 0.118 0.000 0.957 423 R CB 0.711 31.069 30.300 0.098 0.000 1.022 423 R HN 0.571 nan 8.270 nan 0.000 0.461 424 I N 4.845 125.500 120.570 0.143 0.000 2.439 424 I HA 0.302 4.473 4.170 0.001 0.000 0.285 424 I C -0.087 176.135 176.117 0.174 0.000 1.021 424 I CA -0.637 60.761 61.300 0.164 0.000 1.091 424 I CB 1.743 39.855 38.000 0.188 0.000 1.242 424 I HN 0.428 nan 8.210 nan 0.000 0.439 425 I N 4.462 125.118 120.570 0.144 0.000 2.581 425 I HA 0.332 4.502 4.170 0.001 0.000 0.288 425 I C 0.507 176.674 176.117 0.084 0.000 1.047 425 I CA 0.448 61.829 61.300 0.136 0.000 1.374 425 I CB 1.538 39.586 38.000 0.080 0.000 1.423 425 I HN 0.569 nan 8.210 nan 0.000 0.549 426 S N 3.289 119.007 115.700 0.030 0.000 2.588 426 S HA 0.387 4.857 4.470 0.001 0.000 0.269 426 S C 0.043 174.519 174.600 -0.208 0.000 1.157 426 S CA -0.757 57.306 58.200 -0.228 0.000 0.824 426 S CB 1.657 64.427 63.200 -0.716 0.000 1.126 426 S HN 0.615 nan 8.310 nan 0.000 0.464 427 K N 0.470 120.702 120.400 -0.281 0.000 2.242 427 K HA 0.216 4.537 4.320 0.001 0.000 0.200 427 K C -0.041 176.229 176.600 -0.550 0.000 1.050 427 K CA 0.424 56.493 56.287 -0.364 0.000 0.981 427 K CB 0.070 32.290 32.500 -0.468 0.000 0.795 427 K HN 0.551 nan 8.250 nan 0.000 0.477 428 H N -0.723 118.272 119.070 -0.125 0.000 2.717 428 H HA 0.304 4.861 4.556 0.001 0.000 0.366 428 H C -1.198 173.984 175.328 -0.244 0.000 1.132 428 H CA -0.727 55.356 56.048 0.059 0.000 1.180 428 H CB 1.310 31.153 29.762 0.136 0.000 1.678 428 H HN -0.127 nan 8.280 nan 0.000 0.537 429 F N 2.295 122.368 119.950 0.204 0.000 2.499 429 F HA 0.422 4.949 4.527 0.001 0.000 0.333 429 F C 0.124 176.003 175.800 0.130 0.000 1.138 429 F CA -0.628 57.423 58.000 0.085 0.000 0.945 429 F CB 1.630 40.620 39.000 -0.016 0.000 1.181 429 F HN 0.220 nan 8.300 nan 0.000 0.435 430 I N 5.341 126.034 120.570 0.205 0.000 2.362 430 I HA 0.477 4.648 4.170 0.001 0.000 0.289 430 I C -0.653 175.503 176.117 0.066 0.000 0.994 430 I CA -0.487 60.905 61.300 0.152 0.000 1.158 430 I CB 1.430 39.468 38.000 0.064 0.000 1.315 430 I HN 0.470 nan 8.210 nan 0.000 0.451 431 I N 5.387 125.994 120.570 0.062 0.000 2.533 431 I HA 0.291 4.461 4.170 0.001 0.000 0.290 431 I C -0.030 176.134 176.117 0.078 0.000 1.056 431 I CA -0.772 60.546 61.300 0.029 0.000 1.057 431 I CB 2.177 40.182 38.000 0.008 0.000 1.240 431 I HN 0.526 nan 8.210 nan 0.000 0.423 432 E N 4.842 125.137 120.200 0.159 0.000 2.316 432 E HA -0.028 4.322 4.350 0.001 0.000 0.275 432 E C 0.501 177.260 176.600 0.266 0.000 1.029 432 E CA 0.226 56.772 56.400 0.244 0.000 0.871 432 E CB 1.256 31.161 29.700 0.341 0.000 1.022 432 E HN 0.746 nan 8.360 nan 0.000 0.418 433 D N 3.094 123.614 120.400 0.201 0.000 2.242 433 D HA -0.312 4.329 4.640 0.001 0.000 0.190 433 D C 1.600 178.015 176.300 0.192 0.000 1.012 433 D CA 2.875 57.000 54.000 0.208 0.000 0.875 433 D CB 0.045 41.026 40.800 0.303 0.000 0.922 433 D HN 0.467 nan 8.370 nan 0.000 0.448 434 S N -1.693 114.085 115.700 0.131 0.000 2.465 434 S HA -0.207 4.264 4.470 0.001 0.000 0.241 434 S C 1.664 176.219 174.600 -0.075 0.000 1.000 434 S CA 0.774 58.965 58.200 -0.014 0.000 0.964 434 S CB -0.759 62.374 63.200 -0.112 0.000 0.763 434 S HN 0.513 nan 8.310 nan 0.000 0.512 435 Y N 1.103 121.443 120.300 0.067 0.000 2.466 435 Y HA 0.468 5.019 4.550 0.001 0.000 0.272 435 Y C 0.815 176.732 175.900 0.029 0.000 1.169 435 Y CA -0.495 57.630 58.100 0.041 0.000 1.285 435 Y CB 0.040 38.518 38.460 0.031 0.000 1.078 435 Y HN 0.200 nan 8.280 nan 0.000 0.523 436 L N 0.608 121.936 121.223 0.176 0.000 2.371 436 L HA 0.195 4.535 4.340 0.001 0.000 0.272 436 L C 0.861 177.804 176.870 0.121 0.000 1.124 436 L CA -0.690 54.227 54.840 0.129 0.000 0.816 436 L CB 0.816 42.959 42.059 0.139 0.000 1.129 436 L HN 0.083 nan 8.230 nan 0.000 0.448 437 S N 1.007 116.760 115.700 0.089 0.000 2.576 437 S HA 0.033 4.504 4.470 0.001 0.000 0.272 437 S C 0.832 175.494 174.600 0.103 0.000 1.352 437 S CA -0.475 57.771 58.200 0.077 0.000 1.021 437 S CB 0.775 64.005 63.200 0.050 0.000 0.887 437 S HN 0.702 nan 8.310 nan 0.000 0.542 438 E N 1.202 121.454 120.200 0.088 0.000 2.204 438 E HA -0.206 4.144 4.350 0.001 0.000 0.195 438 E C 1.685 178.335 176.600 0.084 0.000 0.990 438 E CA 1.285 57.742 56.400 0.095 0.000 0.821 438 E CB -0.319 29.425 29.700 0.073 0.000 0.750 438 E HN 0.798 nan 8.360 nan 0.000 0.477 439 N N 0.275 119.016 118.700 0.069 0.000 2.142 439 N HA -0.101 4.640 4.740 0.001 0.000 0.186 439 N C 1.668 177.217 175.510 0.065 0.000 1.023 439 N CA 1.523 54.606 53.050 0.056 0.000 0.852 439 N CB 0.032 38.546 38.487 0.046 0.000 0.998 439 N HN -0.073 nan 8.380 nan 0.000 0.424 440 T N -1.138 113.469 114.554 0.087 0.000 2.962 440 T HA -0.052 4.299 4.350 0.001 0.000 0.270 440 T C 1.201 176.005 174.700 0.174 0.000 1.088 440 T CA 0.882 63.055 62.100 0.122 0.000 1.127 440 T CB -0.253 68.692 68.868 0.130 0.000 0.883 440 T HN 0.381 nan 8.240 nan 0.000 0.493 441 C N 1.997 121.391 119.300 0.155 0.000 2.778 441 C HA 0.244 4.705 4.460 0.001 0.000 0.294 441 C C 2.650 177.644 174.990 0.008 0.000 1.331 441 C CA -0.455 58.630 59.018 0.111 0.000 1.741 441 C CB -1.486 26.405 27.740 0.253 0.000 2.106 441 C HN 0.679 nan 8.230 nan 0.000 0.603 442 S N 1.666 117.375 115.700 0.014 0.000 2.420 442 S HA -0.200 4.271 4.470 0.001 0.000 0.237 442 S C 1.687 176.256 174.600 -0.052 0.000 1.023 442 S CA 1.227 59.424 58.200 -0.005 0.000 0.991 442 S CB -0.312 62.892 63.200 0.007 0.000 0.792 442 S HN 0.739 nan 8.310 nan 0.000 0.488 443 R N 0.369 120.811 120.500 -0.097 0.000 2.290 443 R HA 0.310 4.650 4.340 0.001 0.000 0.197 443 R C -0.186 175.981 176.300 -0.221 0.000 0.913 443 R CA -0.017 56.006 56.100 -0.128 0.000 1.040 443 R CB 0.131 30.366 30.300 -0.108 0.000 0.992 443 R HN 0.259 nan 8.270 nan 0.000 0.500 444 V N 2.772 122.478 119.914 -0.347 0.000 2.599 444 V HA -0.079 4.041 4.120 0.001 0.000 0.300 444 V C 0.387 176.156 176.094 -0.542 0.000 1.034 444 V CA 0.725 62.686 62.300 -0.565 0.000 1.115 444 V CB 0.865 32.150 31.823 -0.897 0.000 0.934 444 V HN 0.258 nan 8.190 nan 0.000 0.485 445 Q N 4.439 123.980 119.800 -0.431 0.000 2.431 445 Q HA 0.392 4.732 4.340 0.001 0.000 0.249 445 Q C -1.111 174.751 176.000 -0.230 0.000 1.025 445 Q CA -0.239 55.410 55.803 -0.257 0.000 0.835 445 Q CB 1.071 29.735 28.738 -0.124 0.000 1.207 445 Q HN 0.716 nan 8.270 nan 0.000 0.490 446 Y N 0.730 121.030 120.300 0.000 0.000 2.298 446 Y HA 0.344 4.895 4.550 0.001 0.000 0.329 446 Y C 0.904 176.814 175.900 0.017 0.000 1.293 446 Y CA -0.447 57.662 58.100 0.015 0.000 1.388 446 Y CB 0.978 39.455 38.460 0.028 0.000 1.309 446 Y HN 0.353 nan 8.280 nan 0.000 0.544 447 R N 0.258 120.885 120.500 0.211 0.000 2.943 447 R HA 0.484 4.824 4.340 0.001 0.000 0.246 447 R C -1.013 175.341 176.300 0.089 0.000 1.201 447 R CA -1.168 54.996 56.100 0.107 0.000 1.056 447 R CB 1.335 31.664 30.300 0.048 0.000 1.243 447 R HN 0.530 nan 8.270 nan 0.000 0.498 448 Q N 0.623 120.450 119.800 0.044 0.000 2.451 448 Q HA 0.502 4.842 4.340 0.001 0.000 0.281 448 Q C -0.955 175.042 176.000 -0.005 0.000 1.099 448 Q CA -0.665 55.159 55.803 0.034 0.000 0.806 448 Q CB 2.802 31.580 28.738 0.067 0.000 1.419 448 Q HN 0.471 nan 8.270 nan 0.000 0.427 449 I N 0.637 121.202 120.570 -0.009 0.000 2.406 449 I HA 0.295 4.466 4.170 0.001 0.000 0.290 449 I C -0.103 175.985 176.117 -0.049 0.000 0.999 449 I CA -0.564 60.710 61.300 -0.043 0.000 1.124 449 I CB 1.999 39.961 38.000 -0.062 0.000 1.289 449 I HN 0.243 nan 8.210 nan 0.000 0.441 450 S N 6.275 121.947 115.700 -0.047 0.000 2.452 450 S HA 0.498 4.968 4.470 0.001 0.000 0.284 450 S C -0.217 174.298 174.600 -0.143 0.000 1.171 450 S CA -0.675 57.494 58.200 -0.051 0.000 1.064 450 S CB 0.403 63.615 63.200 0.021 0.000 0.967 450 S HN 0.387 nan 8.310 nan 0.000 0.484 451 R N 1.541 121.848 120.500 -0.321 0.000 2.750 451 R HA 0.805 5.145 4.340 0.001 0.000 0.281 451 R C -1.017 175.052 176.300 -0.385 0.000 0.972 451 R CA -0.762 55.059 56.100 -0.465 0.000 0.912 451 R CB 2.003 31.722 30.300 -0.967 0.000 1.187 451 R HN 0.628 nan 8.270 nan 0.000 0.464 452 A N 1.576 124.253 122.820 -0.240 0.000 2.459 452 A HA 0.594 4.914 4.320 0.001 0.000 0.296 452 A C -1.242 176.227 177.584 -0.192 0.000 1.039 452 A CA -0.581 51.288 52.037 -0.281 0.000 0.698 452 A CB 1.765 20.586 19.000 -0.297 0.000 1.261 452 A HN 0.319 nan 8.150 nan 0.000 0.405 453 V N 3.347 123.159 119.914 -0.170 0.000 2.487 453 V HA 0.610 4.730 4.120 0.001 0.000 0.298 453 V C -0.486 175.563 176.094 -0.075 0.000 1.028 453 V CA -0.291 61.942 62.300 -0.112 0.000 0.860 453 V CB 1.320 33.205 31.823 0.104 0.000 0.991 453 V HN 0.777 nan 8.190 nan 0.000 0.427 454 L N 5.443 126.597 121.223 -0.116 0.000 2.370 454 L HA 0.681 5.021 4.340 0.001 0.000 0.266 454 L C -0.916 175.969 176.870 0.025 0.000 1.002 454 L CA -0.662 54.141 54.840 -0.061 0.000 0.818 454 L CB 2.588 44.462 42.059 -0.308 0.000 1.325 454 L HN 0.422 nan 8.230 nan 0.000 0.418 455 I N 1.709 122.367 120.570 0.145 0.000 2.382 455 I HA 0.402 4.572 4.170 0.001 0.000 0.286 455 I C 0.064 176.247 176.117 0.110 0.000 1.002 455 I CA -0.162 61.232 61.300 0.157 0.000 1.135 455 I CB 2.028 40.119 38.000 0.152 0.000 1.288 455 I HN 0.717 nan 8.210 nan 0.000 0.448 456 T N 0.023 114.641 114.554 0.107 0.000 2.940 456 T HA 0.369 4.719 4.350 0.001 0.000 0.288 456 T C 0.099 174.934 174.700 0.225 0.000 1.045 456 T CA -0.711 61.464 62.100 0.124 0.000 1.018 456 T CB 1.981 70.882 68.868 0.055 0.000 1.151 456 T HN 0.592 nan 8.240 nan 0.000 0.529 457 D N -1.375 119.164 120.400 0.232 0.000 2.402 457 D HA 0.373 5.013 4.640 0.001 0.000 0.216 457 D C 0.623 177.096 176.300 0.289 0.000 1.128 457 D CA -0.351 53.791 54.000 0.237 0.000 0.833 457 D CB -0.019 40.896 40.800 0.192 0.000 0.971 457 D HN 0.970 nan 8.370 nan 0.000 0.503 458 G N -0.941 108.043 108.800 0.307 0.000 2.576 458 G HA2 0.390 4.351 3.960 0.001 0.000 0.290 458 G HA3 0.390 4.351 3.960 0.001 0.000 0.290 458 G C -1.545 173.183 174.900 -0.287 0.000 1.442 458 G CA -0.676 44.516 45.100 0.154 0.000 0.792 458 G HN 0.076 nan 8.290 nan 0.000 0.491 459 S N -0.906 114.460 115.700 -0.558 0.000 2.584 459 S HA 0.315 4.786 4.470 0.001 0.000 0.273 459 S C 1.994 176.433 174.600 -0.269 0.000 1.311 459 S CA 0.076 57.868 58.200 -0.680 0.000 1.034 459 S CB 1.205 64.075 63.200 -0.550 0.000 0.939 459 S HN 1.709 nan 8.310 nan 0.000 0.513 460 V N 3.456 123.239 119.914 -0.217 0.000 2.453 460 V HA 0.054 4.174 4.120 0.001 0.000 0.252 460 V C 0.873 176.863 176.094 -0.174 0.000 1.068 460 V CA 1.489 63.633 62.300 -0.259 0.000 1.070 460 V CB -0.984 30.697 31.823 -0.238 0.000 0.664 460 V HN 0.696 nan 8.190 nan 0.000 0.461 461 L N 1.478 122.626 121.223 -0.126 0.000 2.388 461 L HA 0.492 4.832 4.340 0.001 0.000 0.267 461 L C 0.153 176.987 176.870 -0.060 0.000 0.995 461 L CA -0.684 54.114 54.840 -0.069 0.000 0.864 461 L CB 1.006 43.044 42.059 -0.034 0.000 1.216 461 L HN 0.219 nan 8.230 nan 0.000 0.430 462 R N 2.358 122.830 120.500 -0.047 0.000 2.590 462 R HA 0.421 4.761 4.340 0.001 0.000 0.274 462 R C -0.066 176.238 176.300 0.007 0.000 1.061 462 R CA 0.228 56.317 56.100 -0.019 0.000 1.081 462 R CB 0.875 31.172 30.300 -0.005 0.000 0.984 462 R HN 0.641 nan 8.270 nan 0.000 0.448 463 T N -3.132 111.438 114.554 0.027 0.000 2.739 463 T HA 0.131 4.482 4.350 0.001 0.000 0.303 463 T C 0.295 175.024 174.700 0.048 0.000 1.389 463 T CA -0.983 61.138 62.100 0.035 0.000 1.001 463 T CB 1.705 70.595 68.868 0.037 0.000 1.436 463 T HN 0.407 nan 8.240 nan 0.000 0.500 464 D N 0.852 121.277 120.400 0.042 0.000 2.097 464 D HA 0.017 4.657 4.640 0.001 0.000 0.197 464 D C 1.305 177.634 176.300 0.049 0.000 0.984 464 D CA 1.467 55.492 54.000 0.042 0.000 0.826 464 D CB -0.234 40.586 40.800 0.033 0.000 0.973 464 D HN 0.832 nan 8.370 nan 0.000 0.460 465 A N 2.075 124.925 122.820 0.050 0.000 2.785 465 A HA 0.060 4.381 4.320 0.001 0.000 0.294 465 A C 0.657 178.288 177.584 0.078 0.000 1.597 465 A CA -0.287 51.782 52.037 0.053 0.000 1.283 465 A CB -0.212 18.816 19.000 0.048 0.000 1.088 465 A HN 0.097 nan 8.150 nan 0.000 0.568 466 D N 1.649 122.099 120.400 0.083 0.000 2.088 466 D HA -0.201 4.439 4.640 0.001 0.000 0.191 466 D C 0.431 176.810 176.300 0.131 0.000 0.992 466 D CA 1.089 55.169 54.000 0.133 0.000 0.831 466 D CB -0.345 40.501 40.800 0.077 0.000 0.973 466 D HN 0.413 nan 8.370 nan 0.000 0.447 467 Q N 1.453 121.277 119.800 0.041 0.000 2.737 467 Q HA 0.079 4.419 4.340 0.001 0.000 0.224 467 Q C -0.400 175.634 176.000 0.056 0.000 1.325 467 Q CA 0.638 56.448 55.803 0.012 0.000 0.868 467 Q CB -0.523 28.203 28.738 -0.020 0.000 1.711 467 Q HN 0.540 nan 8.270 nan 0.000 0.540 468 Q N 0.252 120.124 119.800 0.121 0.000 2.365 468 Q HA 0.541 4.881 4.340 0.001 0.000 0.269 468 Q C -0.626 175.440 176.000 0.110 0.000 1.061 468 Q CA -0.819 55.049 55.803 0.109 0.000 0.816 468 Q CB 2.712 31.520 28.738 0.116 0.000 1.325 468 Q HN 0.097 nan 8.270 nan 0.000 0.446 469 V N 1.657 121.608 119.914 0.062 0.000 2.409 469 V HA 0.481 4.602 4.120 0.001 0.000 0.291 469 V C -0.357 175.754 176.094 0.028 0.000 1.020 469 V CA -0.314 61.998 62.300 0.020 0.000 0.848 469 V CB 1.655 33.466 31.823 -0.020 0.000 0.990 469 V HN 0.721 nan 8.190 nan 0.000 0.430 470 S N 4.756 120.465 115.700 0.016 0.000 2.634 470 S HA 0.755 5.226 4.470 0.001 0.000 0.296 470 S C -0.721 173.880 174.600 0.002 0.000 1.104 470 S CA -0.580 57.634 58.200 0.024 0.000 0.920 470 S CB 2.336 65.551 63.200 0.024 0.000 1.111 470 S HN 0.698 nan 8.310 nan 0.000 0.493 471 I N 2.384 122.967 120.570 0.022 0.000 2.478 471 I HA 0.598 4.768 4.170 0.001 0.000 0.287 471 I C -1.921 174.217 176.117 0.035 0.000 1.042 471 I CA -1.015 60.286 61.300 0.001 0.000 1.067 471 I CB 1.184 39.157 38.000 -0.045 0.000 1.233 471 I HN 0.567 nan 8.210 nan 0.000 0.431 472 L N 7.082 128.318 121.223 0.021 0.000 2.346 472 L HA 0.650 4.990 4.340 0.001 0.000 0.276 472 L C -0.884 176.006 176.870 0.033 0.000 1.006 472 L CA 0.202 55.060 54.840 0.031 0.000 0.817 472 L CB 2.199 44.259 42.059 0.001 0.000 1.272 472 L HN 0.559 nan 8.230 nan 0.000 0.421 473 T N 4.244 118.838 114.554 0.065 0.000 2.770 473 T HA 0.575 4.926 4.350 0.001 0.000 0.283 473 T C -0.842 173.901 174.700 0.072 0.000 0.988 473 T CA -0.329 61.810 62.100 0.065 0.000 0.957 473 T CB 1.271 70.194 68.868 0.092 0.000 0.930 473 T HN 0.363 nan 8.240 nan 0.000 0.443 474 V N 7.034 126.967 119.914 0.032 0.000 2.334 474 V HA 0.337 4.458 4.120 0.001 0.000 0.281 474 V C -2.244 173.864 176.094 0.023 0.000 1.016 474 V CA -2.158 60.172 62.300 0.051 0.000 0.832 474 V CB 1.185 32.970 31.823 -0.063 0.000 0.999 474 V HN 0.670 nan 8.190 nan 0.000 0.439 475 P HA 0.212 nan 4.420 nan 0.000 0.269 475 P C -0.201 177.101 177.300 0.004 0.000 1.215 475 P CA -0.047 62.978 63.100 -0.125 0.000 0.780 475 P CB 0.582 32.025 31.700 -0.428 0.000 0.898 476 A N 2.066 124.898 122.820 0.020 0.000 2.477 476 A HA 0.075 4.396 4.320 0.001 0.000 0.246 476 A C 1.278 178.875 177.584 0.022 0.000 1.078 476 A CA 0.044 52.094 52.037 0.021 0.000 0.770 476 A CB -0.283 18.707 19.000 -0.017 0.000 1.011 476 A HN 0.728 nan 8.150 nan 0.000 0.494 477 E N 1.913 122.128 120.200 0.025 0.000 2.162 477 E HA 0.007 4.357 4.350 0.001 0.000 0.193 477 E C 0.437 177.041 176.600 0.007 0.000 0.953 477 E CA 0.669 57.086 56.400 0.028 0.000 0.849 477 E CB -0.176 29.549 29.700 0.041 0.000 0.810 477 E HN 0.851 nan 8.360 nan 0.000 0.470 478 E N 1.631 121.826 120.200 -0.010 0.000 2.212 478 E HA 0.442 4.793 4.350 0.001 0.000 0.270 478 E C -2.578 173.989 176.600 -0.055 0.000 0.956 478 E CA -2.835 53.551 56.400 -0.024 0.000 0.825 478 E CB 1.107 30.795 29.700 -0.020 0.000 1.167 478 E HN -0.159 nan 8.360 nan 0.000 0.400 479 P HA 0.120 nan 4.420 nan 0.000 0.269 479 P C 0.543 177.770 177.300 -0.122 0.000 1.209 479 P CA 0.968 64.018 63.100 -0.084 0.000 0.776 479 P CB 0.726 32.395 31.700 -0.051 0.000 0.876 480 G N 0.692 109.370 108.800 -0.203 0.000 2.225 480 G HA2 -0.221 3.740 3.960 0.001 0.000 0.254 480 G HA3 -0.221 3.740 3.960 0.001 0.000 0.254 480 G C 0.464 175.110 174.900 -0.423 0.000 0.988 480 G CA 0.169 45.123 45.100 -0.244 0.000 0.625 480 G HN 0.603 nan 8.290 nan 0.000 0.527 481 S N -0.346 115.112 115.700 -0.405 0.000 2.722 481 S HA 0.893 5.364 4.470 0.001 0.000 0.292 481 S C -0.503 173.742 174.600 -0.591 0.000 1.135 481 S CA -0.422 57.574 58.200 -0.340 0.000 1.003 481 S CB 1.128 64.278 63.200 -0.085 0.000 1.067 481 S HN 0.345 nan 8.310 nan 0.000 0.546 482 F N 0.284 120.258 119.950 0.040 0.000 2.611 482 F HA 0.673 5.200 4.527 0.001 0.000 0.324 482 F C 0.487 176.313 175.800 0.042 0.000 1.061 482 F CA -1.318 56.710 58.000 0.047 0.000 0.954 482 F CB 0.647 39.676 39.000 0.048 0.000 1.301 482 F HN 0.598 nan 8.300 nan 0.000 0.482 483 A N 0.923 123.893 122.820 0.250 0.000 2.546 483 A HA 0.438 4.759 4.320 0.001 0.000 0.243 483 A C -0.518 177.143 177.584 0.128 0.000 1.063 483 A CA -0.185 51.941 52.037 0.148 0.000 0.757 483 A CB -0.240 18.848 19.000 0.147 0.000 0.991 483 A HN 0.533 nan 8.150 nan 0.000 0.503 484 V N 4.248 124.210 119.914 0.080 0.000 2.394 484 V HA 0.351 4.471 4.120 0.001 0.000 0.282 484 V C 0.703 176.818 176.094 0.036 0.000 1.031 484 V CA -0.455 61.878 62.300 0.056 0.000 0.881 484 V CB 1.233 33.077 31.823 0.035 0.000 0.982 484 V HN 0.949 nan 8.190 nan 0.000 0.451 485 R N 4.356 124.875 120.500 0.032 0.000 2.229 485 R HA 0.619 4.960 4.340 0.001 0.000 0.328 485 R C -1.527 174.781 176.300 0.013 0.000 1.009 485 R CA -0.347 55.765 56.100 0.019 0.000 0.864 485 R CB 1.376 31.682 30.300 0.010 0.000 1.085 485 R HN 0.511 nan 8.270 nan 0.000 0.453 486 V N 7.257 127.176 119.914 0.008 0.000 2.378 486 V HA 0.392 4.512 4.120 0.001 0.000 0.288 486 V C -0.066 176.039 176.094 0.019 0.000 1.016 486 V CA -0.619 61.695 62.300 0.023 0.000 0.840 486 V CB 1.466 33.296 31.823 0.013 0.000 0.994 486 V HN 0.730 nan 8.190 nan 0.000 0.431 487 I N 4.151 124.743 120.570 0.037 0.000 2.389 487 I HA 0.438 4.609 4.170 0.001 0.000 0.288 487 I C 0.010 176.147 176.117 0.032 0.000 0.999 487 I CA -0.288 61.012 61.300 -0.000 0.000 1.129 487 I CB 1.847 39.818 38.000 -0.049 0.000 1.288 487 I HN 0.634 nan 8.210 nan 0.000 0.444 488 E N 7.685 127.891 120.200 0.010 0.000 2.133 488 E HA 0.530 4.881 4.350 0.001 0.000 0.274 488 E C -1.498 175.117 176.600 0.024 0.000 0.930 488 E CA -0.589 55.844 56.400 0.054 0.000 0.770 488 E CB 1.127 30.863 29.700 0.061 0.000 1.104 488 E HN 0.511 nan 8.360 nan 0.000 0.403 489 L N 4.395 125.640 121.223 0.037 0.000 2.325 489 L HA 0.532 4.872 4.340 0.001 0.000 0.278 489 L C 0.028 176.929 176.870 0.051 0.000 1.023 489 L CA -1.177 53.632 54.840 -0.053 0.000 0.811 489 L CB 1.263 43.228 42.059 -0.157 0.000 1.249 489 L HN 0.692 nan 8.230 nan 0.000 0.431 490 C N -0.707 118.570 119.300 -0.039 0.000 2.349 490 C HA 0.453 4.913 4.460 0.001 0.000 0.361 490 C C 1.918 176.771 174.990 -0.229 0.000 1.189 490 C CA -0.251 58.638 59.018 -0.215 0.000 2.155 490 C CB 1.216 28.864 27.740 -0.153 0.000 2.336 490 C HN 0.985 nan 8.230 nan 0.000 0.540 491 S N 1.569 117.076 115.700 -0.321 0.000 2.392 491 S HA -0.231 4.240 4.470 0.001 0.000 0.232 491 S C 1.602 176.078 174.600 -0.207 0.000 1.041 491 S CA 1.978 60.015 58.200 -0.272 0.000 1.026 491 S CB -1.263 61.765 63.200 -0.287 0.000 0.845 491 S HN 1.371 nan 8.310 nan 0.000 0.465 492 S N 1.807 117.405 115.700 -0.169 0.000 2.507 492 S HA -0.081 4.390 4.470 0.001 0.000 0.235 492 S C 1.755 176.273 174.600 -0.138 0.000 0.988 492 S CA 1.080 59.198 58.200 -0.138 0.000 0.944 492 S CB -1.367 61.776 63.200 -0.096 0.000 0.762 492 S HN 0.855 nan 8.310 nan 0.000 0.526 493 T N -1.002 113.482 114.554 -0.116 0.000 3.148 493 T HA 0.190 4.540 4.350 0.001 0.000 0.253 493 T C 0.783 175.389 174.700 -0.156 0.000 1.134 493 T CA 0.182 62.246 62.100 -0.059 0.000 1.051 493 T CB -0.640 68.250 68.868 0.038 0.000 0.959 493 T HN 0.268 nan 8.240 nan 0.000 0.525 494 M N 1.608 121.067 119.600 -0.236 0.000 2.537 494 M HA -0.145 4.335 4.480 0.001 0.000 0.205 494 M C 0.750 176.962 176.300 -0.146 0.000 0.450 494 M CA 1.363 56.477 55.300 -0.309 0.000 0.553 494 M CB -3.470 28.659 32.600 -0.784 0.000 2.046 494 M HN 0.719 nan 8.290 nan 0.000 0.797 495 T N -3.399 111.102 114.554 -0.089 0.000 3.003 495 T HA 0.433 4.783 4.350 0.001 0.000 0.261 495 T C 0.655 175.298 174.700 -0.095 0.000 1.003 495 T CA 0.451 62.562 62.100 0.020 0.000 0.917 495 T CB 0.355 69.317 68.868 0.157 0.000 1.084 495 T HN 0.877 nan 8.240 nan 0.000 0.522 496 C N 1.275 120.354 119.300 -0.369 0.000 3.311 496 C HA 0.836 5.297 4.460 0.001 0.000 0.325 496 C C -0.063 174.391 174.990 -0.894 0.000 1.352 496 C CA -1.791 56.653 59.018 -0.958 0.000 1.308 496 C CB 1.028 28.476 27.740 -0.488 0.000 1.619 496 C HN 0.676 nan 8.230 nan 0.000 0.469 497 M N 1.149 120.018 119.600 -1.218 0.000 2.226 497 M HA 0.420 4.901 4.480 0.001 0.000 0.324 497 M C -0.126 175.961 176.300 -0.354 0.000 1.112 497 M CA 0.368 55.320 55.300 -0.580 0.000 1.176 497 M CB 0.204 32.573 32.600 -0.386 0.000 1.430 497 M HN 0.708 nan 8.290 nan 0.000 0.462 498 K N 1.213 121.470 120.400 -0.239 0.000 2.489 498 K HA 0.252 4.573 4.320 0.001 0.000 0.278 498 K C 0.932 177.444 176.600 -0.147 0.000 1.000 498 K CA 0.991 57.166 56.287 -0.187 0.000 1.012 498 K CB 0.100 32.521 32.500 -0.132 0.000 0.903 498 K HN 1.024 nan 8.250 nan 0.000 0.485 499 G N 1.171 109.884 108.800 -0.145 0.000 2.194 499 G HA2 -0.264 3.696 3.960 0.001 0.000 0.236 499 G HA3 -0.264 3.696 3.960 0.001 0.000 0.236 499 G C 0.201 175.072 174.900 -0.048 0.000 0.987 499 G CA 0.342 45.398 45.100 -0.074 0.000 0.635 499 G HN 0.786 nan 8.290 nan 0.000 0.520 500 T N -2.421 112.061 114.554 -0.121 0.000 2.864 500 T HA 0.771 5.121 4.350 0.001 0.000 0.289 500 T C -0.858 173.754 174.700 -0.148 0.000 1.082 500 T CA -0.937 61.154 62.100 -0.015 0.000 1.009 500 T CB 2.714 71.621 68.868 0.064 0.000 1.234 500 T HN 0.511 nan 8.240 nan 0.000 0.526 501 Y N -0.565 119.753 120.300 0.030 0.000 2.499 501 Y HA 0.707 5.257 4.550 0.001 0.000 0.347 501 Y C -0.804 175.113 175.900 0.029 0.000 0.987 501 Y CA -1.304 56.807 58.100 0.019 0.000 1.044 501 Y CB 2.158 40.645 38.460 0.046 0.000 1.245 501 Y HN 0.669 nan 8.280 nan 0.000 0.461 502 L N 3.379 124.706 121.223 0.172 0.000 2.294 502 L HA 0.677 5.018 4.340 0.001 0.000 0.283 502 L C -1.376 175.522 176.870 0.047 0.000 1.015 502 L CA -0.570 54.331 54.840 0.101 0.000 0.831 502 L CB 0.876 43.007 42.059 0.120 0.000 1.217 502 L HN 0.419 nan 8.230 nan 0.000 0.420 503 V N 4.948 124.831 119.914 -0.052 0.000 2.398 503 V HA 0.465 4.586 4.120 0.001 0.000 0.286 503 V C -0.322 175.684 176.094 -0.147 0.000 1.026 503 V CA -0.664 61.608 62.300 -0.046 0.000 0.868 503 V CB 1.313 33.092 31.823 -0.073 0.000 0.982 503 V HN 0.615 nan 8.190 nan 0.000 0.443 504 H N 4.999 124.069 119.070 0.001 0.000 2.489 504 H HA 0.589 5.145 4.556 0.001 0.000 0.343 504 H C -1.149 174.168 175.328 -0.019 0.000 1.086 504 H CA -0.529 55.516 56.048 -0.007 0.000 1.198 504 H CB 2.214 31.979 29.762 0.005 0.000 1.490 504 H HN 0.363 nan 8.280 nan 0.000 0.504 505 L N 2.450 123.717 121.223 0.073 0.000 2.346 505 L HA 0.430 4.771 4.340 0.001 0.000 0.276 505 L C 0.199 177.075 176.870 0.011 0.000 1.006 505 L CA -0.235 54.627 54.840 0.036 0.000 0.817 505 L CB 2.165 44.237 42.059 0.021 0.000 1.272 505 L HN 0.595 nan 8.230 nan 0.000 0.421 506 T N 0.756 115.314 114.554 0.008 0.000 2.894 506 T HA 0.732 5.082 4.350 0.001 0.000 0.309 506 T C -1.250 173.452 174.700 0.004 0.000 1.208 506 T CA -0.718 61.371 62.100 -0.017 0.000 1.016 506 T CB 1.764 70.615 68.868 -0.028 0.000 1.192 506 T HN 0.870 nan 8.240 nan 0.000 0.491 507 C N 1.420 120.718 119.300 -0.003 0.000 3.289 507 C HA 0.723 5.184 4.460 0.001 0.000 0.354 507 C C -0.331 174.644 174.990 -0.025 0.000 1.201 507 C CA -1.257 57.776 59.018 0.024 0.000 1.199 507 C CB 0.172 27.966 27.740 0.090 0.000 1.511 507 C HN 1.148 nan 8.230 nan 0.000 0.506 508 M N 3.174 122.704 119.600 -0.117 0.000 2.250 508 M HA 0.298 4.778 4.480 0.001 0.000 0.337 508 M C 0.659 176.883 176.300 -0.127 0.000 1.161 508 M CA 1.076 56.196 55.300 -0.300 0.000 1.088 508 M CB 0.726 32.807 32.600 -0.865 0.000 1.639 508 M HN 0.947 nan 8.290 nan 0.000 0.447 509 S N 2.409 118.074 115.700 -0.058 0.000 2.593 509 S HA 0.178 4.649 4.470 0.001 0.000 0.269 509 S C 0.431 175.152 174.600 0.202 0.000 1.334 509 S CA -0.590 57.656 58.200 0.078 0.000 1.015 509 S CB 1.670 64.910 63.200 0.067 0.000 0.912 509 S HN 0.849 nan 8.310 nan 0.000 0.541 510 S N 1.113 116.935 115.700 0.204 0.000 3.429 510 S HA 0.347 4.817 4.470 0.001 0.000 0.237 510 S C 0.456 175.123 174.600 0.111 0.000 1.037 510 S CA 0.051 58.373 58.200 0.203 0.000 0.806 510 S CB -0.018 63.283 63.200 0.170 0.000 0.882 510 S HN 0.618 nan 8.310 nan 0.000 0.556 511 K N 0.487 120.931 120.400 0.074 0.000 2.041 511 K HA 0.400 4.721 4.320 0.001 0.000 0.277 511 K C -0.257 176.349 176.600 0.011 0.000 0.965 511 K CA -0.163 56.139 56.287 0.025 0.000 1.138 511 K CB -0.040 32.456 32.500 -0.007 0.000 3.194 511 K HN 0.413 nan 8.250 nan 0.000 1.085 512 T N -1.390 113.123 114.554 -0.068 0.000 2.849 512 T HA 0.326 4.676 4.350 0.001 0.000 0.284 512 T C 1.218 175.924 174.700 0.011 0.000 1.004 512 T CA -0.123 61.927 62.100 -0.084 0.000 1.021 512 T CB 1.342 70.038 68.868 -0.287 0.000 1.013 512 T HN 0.496 nan 8.240 nan 0.000 0.527 513 A N 1.326 124.198 122.820 0.086 0.000 1.873 513 A HA -0.140 4.181 4.320 0.001 0.000 0.218 513 A C 2.516 180.144 177.584 0.073 0.000 1.193 513 A CA 2.030 54.135 52.037 0.113 0.000 0.629 513 A CB -0.999 18.107 19.000 0.176 0.000 0.826 513 A HN 0.968 nan 8.150 nan 0.000 0.447 514 R N -0.242 120.214 120.500 -0.072 0.000 2.083 514 R HA -0.179 4.162 4.340 0.001 0.000 0.237 514 R C 2.147 178.294 176.300 -0.254 0.000 1.137 514 R CA 1.880 57.714 56.100 -0.444 0.000 0.951 514 R CB -0.332 29.696 30.300 -0.454 0.000 0.851 514 R HN 0.729 nan 8.270 nan 0.000 0.434 515 E N -0.013 120.102 120.200 -0.140 0.000 2.118 515 E HA -0.193 4.157 4.350 0.001 0.000 0.195 515 E C 1.557 178.132 176.600 -0.041 0.000 0.992 515 E CA 1.346 57.692 56.400 -0.090 0.000 0.804 515 E CB -0.054 29.604 29.700 -0.071 0.000 0.741 515 E HN 0.422 nan 8.360 nan 0.000 0.458 516 D N 0.169 120.567 120.400 -0.005 0.000 2.149 516 D HA -0.048 4.593 4.640 0.001 0.000 0.201 516 D C 1.906 178.238 176.300 0.053 0.000 0.972 516 D CA 0.894 54.917 54.000 0.038 0.000 0.835 516 D CB 0.171 41.013 40.800 0.070 0.000 0.966 516 D HN 0.177 nan 8.370 nan 0.000 0.476 517 L N -0.120 121.148 121.223 0.075 0.000 2.500 517 L HA 0.162 4.502 4.340 0.001 0.000 0.219 517 L C 2.189 179.153 176.870 0.157 0.000 1.057 517 L CA 0.050 54.972 54.840 0.137 0.000 0.854 517 L CB 0.007 42.206 42.059 0.234 0.000 1.078 517 L HN -0.127 nan 8.230 nan 0.000 0.480 518 E N 1.370 121.615 120.200 0.076 0.000 2.171 518 E HA -0.259 4.091 4.350 0.001 0.000 0.197 518 E C 2.133 178.754 176.600 0.035 0.000 0.997 518 E CA 1.364 57.791 56.400 0.046 0.000 0.810 518 E CB 0.168 29.750 29.700 -0.197 0.000 0.738 518 E HN 0.410 nan 8.360 nan 0.000 0.467 519 R N -0.187 120.320 120.500 0.013 0.000 2.083 519 R HA -0.143 4.198 4.340 0.001 0.000 0.237 519 R C 2.434 178.746 176.300 0.021 0.000 1.137 519 R CA 1.680 57.787 56.100 0.011 0.000 0.951 519 R CB -0.526 29.780 30.300 0.011 0.000 0.851 519 R HN 0.088 nan 8.270 nan 0.000 0.434 520 V N 0.910 120.838 119.914 0.022 0.000 2.453 520 V HA -0.163 3.957 4.120 0.001 0.000 0.247 520 V C 2.390 178.490 176.094 0.011 0.000 1.048 520 V CA 1.336 63.619 62.300 -0.028 0.000 1.049 520 V CB -0.256 31.541 31.823 -0.044 0.000 0.672 520 V HN 0.123 nan 8.190 nan 0.000 0.457 521 V N -0.374 119.608 119.914 0.113 0.000 2.332 521 V HA -0.326 3.795 4.120 0.001 0.000 0.248 521 V C 2.504 178.711 176.094 0.189 0.000 1.055 521 V CA 2.195 64.635 62.300 0.232 0.000 1.038 521 V CB -0.676 31.285 31.823 0.229 0.000 0.651 521 V HN 0.497 nan 8.190 nan 0.000 0.450 522 Q N 0.097 119.948 119.800 0.085 0.000 2.170 522 Q HA -0.173 4.167 4.340 0.001 0.000 0.203 522 Q C 2.159 178.166 176.000 0.012 0.000 0.976 522 Q CA 1.681 57.505 55.803 0.034 0.000 0.858 522 Q CB -0.229 28.512 28.738 0.004 0.000 0.907 522 Q HN 0.582 nan 8.270 nan 0.000 0.433 523 K N -0.940 119.460 120.400 -0.000 0.000 2.228 523 K HA 0.028 4.349 4.320 0.001 0.000 0.202 523 K C 1.651 178.208 176.600 -0.071 0.000 1.051 523 K CA 0.716 57.009 56.287 0.010 0.000 0.960 523 K CB 0.219 32.769 32.500 0.082 0.000 0.743 523 K HN 0.222 nan 8.250 nan 0.000 0.458 524 L N -0.747 120.349 121.223 -0.211 0.000 2.316 524 L HA 0.178 4.518 4.340 0.001 0.000 0.207 524 L C 0.273 176.682 176.870 -0.769 0.000 1.070 524 L CA 0.201 54.717 54.840 -0.541 0.000 0.820 524 L CB 0.217 41.793 42.059 -0.804 0.000 0.992 524 L HN -0.046 nan 8.230 nan 0.000 0.466 525 F N -1.530 118.395 119.950 -0.043 0.000 2.598 525 F HA 0.477 5.005 4.527 0.001 0.000 0.327 525 F C 0.214 175.978 175.800 -0.060 0.000 1.057 525 F CA -0.830 57.146 58.000 -0.040 0.000 0.957 525 F CB 1.766 40.747 39.000 -0.031 0.000 1.278 525 F HN -0.470 nan 8.300 nan 0.000 0.484 526 T N 2.367 117.002 114.554 0.135 0.000 2.841 526 T HA 0.473 4.823 4.350 0.001 0.000 0.285 526 T C -2.876 171.798 174.700 -0.044 0.000 0.991 526 T CA -2.245 59.861 62.100 0.010 0.000 0.966 526 T CB 1.136 70.000 68.868 -0.007 0.000 0.962 526 T HN 0.124 nan 8.240 nan 0.000 0.438 527 P HA 0.009 nan 4.420 nan 0.000 0.261 527 P C -0.908 176.325 177.300 -0.112 0.000 1.173 527 P CA -0.050 62.801 63.100 -0.415 0.000 0.760 527 P CB 0.024 31.309 31.700 -0.692 0.000 0.783 528 Y N 4.058 124.319 120.300 -0.064 0.000 2.683 528 Y HA 0.225 4.775 4.550 0.001 0.000 0.340 528 Y C 0.669 176.603 175.900 0.057 0.000 1.245 528 Y CA 1.075 59.206 58.100 0.052 0.000 1.485 528 Y CB 0.320 38.863 38.460 0.138 0.000 1.328 528 Y HN 0.529 nan 8.280 nan 0.000 0.603 529 T N 1.633 115.726 114.554 -0.768 0.000 2.762 529 T HA 0.326 4.677 4.350 0.001 0.000 0.301 529 T C -0.656 173.660 174.700 -0.639 0.000 1.299 529 T CA -1.051 60.768 62.100 -0.467 0.000 1.005 529 T CB 1.648 70.390 68.868 -0.209 0.000 1.377 529 T HN 0.568 nan 8.240 nan 0.000 0.504 530 E N 0.717 120.769 120.200 -0.246 0.000 2.405 530 E HA 0.340 4.690 4.350 0.001 0.000 0.214 530 E C -0.430 176.113 176.600 -0.095 0.000 1.101 530 E CA -0.088 56.233 56.400 -0.131 0.000 1.254 530 E CB -0.048 29.651 29.700 -0.002 0.000 1.240 530 E HN 0.563 nan 8.360 nan 0.000 0.439 531 I N 1.656 122.148 120.570 -0.131 0.000 2.359 531 I HA 0.128 4.299 4.170 0.001 0.000 0.284 531 I C 0.465 176.534 176.117 -0.079 0.000 1.018 531 I CA -0.586 60.666 61.300 -0.080 0.000 1.173 531 I CB 1.197 39.154 38.000 -0.071 0.000 1.326 531 I HN -0.285 nan 8.210 nan 0.000 0.462 532 E N 4.983 125.153 120.200 -0.050 0.000 2.290 532 E HA 0.388 4.738 4.350 0.001 0.000 0.277 532 E C -0.172 176.411 176.600 -0.028 0.000 1.035 532 E CA -0.125 56.254 56.400 -0.035 0.000 0.873 532 E CB 1.812 31.502 29.700 -0.016 0.000 1.029 532 E HN 0.661 nan 8.360 nan 0.000 0.419 533 A N 3.547 126.352 122.820 -0.026 0.000 2.279 533 A HA 0.194 4.514 4.320 0.001 0.000 0.303 533 A C 1.176 178.754 177.584 -0.010 0.000 1.108 533 A CA -0.477 51.549 52.037 -0.020 0.000 0.830 533 A CB 0.520 19.507 19.000 -0.021 0.000 1.106 533 A HN 0.582 nan 8.150 nan 0.000 0.493 534 E N 0.329 120.524 120.200 -0.009 0.000 2.114 534 E HA -0.194 4.157 4.350 0.001 0.000 0.199 534 E C 0.323 176.922 176.600 -0.002 0.000 1.008 534 E CA 1.653 58.050 56.400 -0.005 0.000 0.810 534 E CB -0.084 29.613 29.700 -0.005 0.000 0.739 534 E HN 0.679 nan 8.360 nan 0.000 0.456 535 N N -0.248 118.451 118.700 -0.002 0.000 2.519 535 N HA 0.006 4.747 4.740 0.001 0.000 0.291 535 N C 0.231 175.743 175.510 0.003 0.000 1.107 535 N CA -0.145 52.906 53.050 0.002 0.000 0.904 535 N CB 1.266 39.754 38.487 0.002 0.000 1.500 535 N HN -0.249 nan 8.380 nan 0.000 0.510 536 E N 1.328 121.533 120.200 0.009 0.000 2.112 536 E HA -0.082 4.269 4.350 0.001 0.000 0.190 536 E C 1.100 177.710 176.600 0.017 0.000 0.979 536 E CA 1.029 57.437 56.400 0.014 0.000 0.814 536 E CB 0.290 30.005 29.700 0.024 0.000 0.762 536 E HN 0.681 nan 8.360 nan 0.000 0.460 537 Q N 0.120 119.930 119.800 0.018 0.000 2.308 537 Q HA -0.103 4.238 4.340 0.001 0.000 0.209 537 Q C 1.940 177.946 176.000 0.010 0.000 0.985 537 Q CA 0.924 56.738 55.803 0.017 0.000 0.881 537 Q CB 0.073 28.821 28.738 0.017 0.000 0.917 537 Q HN 0.170 nan 8.270 nan 0.000 0.443 538 V N -0.043 119.874 119.914 0.005 0.000 3.660 538 V HA 0.028 4.148 4.120 0.001 0.000 0.276 538 V C 0.715 176.806 176.094 -0.006 0.000 1.317 538 V CA 0.049 62.348 62.300 -0.002 0.000 1.097 538 V CB 0.308 32.129 31.823 -0.003 0.000 0.863 538 V HN 0.106 nan 8.190 nan 0.000 0.438 539 E N 1.298 121.496 120.200 -0.002 0.000 2.374 539 E HA 0.252 4.602 4.350 0.001 0.000 0.260 539 E C 0.164 176.760 176.600 -0.007 0.000 1.101 539 E CA -0.164 56.233 56.400 -0.005 0.000 0.907 539 E CB 0.572 30.272 29.700 0.000 0.000 1.014 539 E HN 0.330 nan 8.360 nan 0.000 0.427 540 K N 3.593 123.984 120.400 -0.015 0.000 2.258 540 K HA 0.192 4.513 4.320 0.001 0.000 0.264 540 K C -2.034 174.574 176.600 0.014 0.000 1.007 540 K CA -1.398 54.870 56.287 -0.032 0.000 0.941 540 K CB 0.104 32.573 32.500 -0.051 0.000 0.966 540 K HN 0.490 nan 8.250 nan 0.000 0.480 541 P HA -0.029 nan 4.420 nan 0.000 0.268 541 P C -0.836 176.602 177.300 0.230 0.000 1.208 541 P CA 0.107 63.290 63.100 0.137 0.000 0.777 541 P CB 0.614 32.421 31.700 0.178 0.000 0.875 542 R N 1.610 122.242 120.500 0.220 0.000 2.349 542 R HA 0.383 4.724 4.340 0.001 0.000 0.299 542 R C -0.150 176.281 176.300 0.218 0.000 1.027 542 R CA -1.129 55.103 56.100 0.220 0.000 0.958 542 R CB 0.158 30.614 30.300 0.260 0.000 1.047 542 R HN 0.452 nan 8.270 nan 0.000 0.468 543 L N 4.263 125.585 121.223 0.164 0.000 2.265 543 L HA 0.211 4.552 4.340 0.001 0.000 0.288 543 L C 0.644 177.674 176.870 0.267 0.000 1.058 543 L CA 0.342 55.246 54.840 0.108 0.000 0.809 543 L CB 0.673 42.733 42.059 0.001 0.000 1.179 543 L HN 0.668 nan 8.230 nan 0.000 0.429 544 L N 3.961 125.346 121.223 0.270 0.000 2.316 544 L HA 0.245 4.585 4.340 0.001 0.000 0.207 544 L C -0.342 176.779 176.870 0.418 0.000 1.070 544 L CA 0.043 55.054 54.840 0.286 0.000 0.820 544 L CB 0.081 42.225 42.059 0.143 0.000 0.992 544 L HN 0.610 nan 8.230 nan 0.000 0.466 545 W N -0.022 121.370 121.300 0.154 0.000 3.425 545 W HA 0.621 5.282 4.660 0.001 0.000 0.318 545 W C -1.465 175.119 176.519 0.109 0.000 1.201 545 W CA -0.632 56.779 57.345 0.110 0.000 1.212 545 W CB 1.426 30.940 29.460 0.090 0.000 1.355 545 W HN -0.197 nan 8.180 nan 0.000 0.515 546 A N 5.052 127.669 122.820 -0.337 0.000 2.414 546 A HA 0.830 5.151 4.320 0.001 0.000 0.306 546 A C -2.460 174.677 177.584 -0.746 0.000 1.054 546 A CA -0.699 51.134 52.037 -0.339 0.000 0.724 546 A CB 1.749 20.751 19.000 0.004 0.000 1.267 546 A HN 0.994 nan 8.150 nan 0.000 0.418 547 L N 1.361 122.238 121.223 -0.576 0.000 2.410 547 L HA 0.838 5.178 4.340 0.001 0.000 0.270 547 L C -2.012 174.706 176.870 -0.253 0.000 0.983 547 L CA -0.390 54.238 54.840 -0.354 0.000 0.822 547 L CB 1.424 43.425 42.059 -0.097 0.000 1.285 547 L HN 0.625 nan 8.230 nan 0.000 0.409 548 Y N 5.490 125.873 120.300 0.138 0.000 2.462 548 Y HA 0.790 5.341 4.550 0.001 0.000 0.346 548 Y C -0.550 175.511 175.900 0.268 0.000 0.976 548 Y CA -0.540 57.643 58.100 0.137 0.000 1.044 548 Y CB 2.001 40.542 38.460 0.135 0.000 1.230 548 Y HN 0.620 nan 8.280 nan 0.000 0.455 549 F N -0.741 119.352 119.950 0.238 0.000 2.744 549 F HA 0.582 5.109 4.527 0.001 0.000 0.311 549 F C -2.229 173.654 175.800 0.138 0.000 1.144 549 F CA -1.412 56.690 58.000 0.168 0.000 0.938 549 F CB 1.078 40.169 39.000 0.151 0.000 1.292 549 F HN 0.326 nan 8.300 nan 0.000 0.444 550 N N 2.315 121.202 118.700 0.312 0.000 2.399 550 N HA 0.661 5.401 4.740 0.001 0.000 0.295 550 N C -1.296 174.353 175.510 0.231 0.000 1.048 550 N CA -0.730 52.424 53.050 0.173 0.000 0.886 550 N CB 1.948 40.540 38.487 0.175 0.000 1.185 550 N HN 0.865 nan 8.380 nan 0.000 0.487 551 M N 1.399 121.089 119.600 0.150 0.000 2.383 551 M HA 0.393 4.873 4.480 0.001 0.000 0.325 551 M C -0.404 175.910 176.300 0.022 0.000 1.092 551 M CA -0.866 54.511 55.300 0.129 0.000 0.961 551 M CB 1.504 34.210 32.600 0.177 0.000 1.672 551 M HN 0.476 nan 8.290 nan 0.000 0.438 552 R N 2.643 123.123 120.500 -0.033 0.000 2.537 552 R HA 0.032 4.372 4.340 0.001 0.000 0.280 552 R C -1.146 175.127 176.300 -0.044 0.000 1.058 552 R CA 0.178 56.227 56.100 -0.085 0.000 1.057 552 R CB 0.453 30.603 30.300 -0.250 0.000 0.973 552 R HN 0.655 nan 8.270 nan 0.000 0.438 553 D N 2.369 122.777 120.400 0.014 0.000 2.441 553 D HA 0.075 4.715 4.640 0.001 0.000 0.231 553 D C -0.129 176.272 176.300 0.168 0.000 1.073 553 D CA -0.365 53.669 54.000 0.057 0.000 0.850 553 D CB 1.308 42.132 40.800 0.040 0.000 1.062 553 D HN 0.554 nan 8.370 nan 0.000 0.524 554 S N 1.413 117.227 115.700 0.190 0.000 2.568 554 S HA 0.139 4.609 4.470 0.001 0.000 0.232 554 S C 0.637 175.392 174.600 0.258 0.000 0.975 554 S CA -0.515 57.891 58.200 0.343 0.000 0.949 554 S CB -0.388 63.033 63.200 0.367 0.000 0.829 554 S HN 0.329 nan 8.310 nan 0.000 0.479 555 S N 1.386 117.196 115.700 0.183 0.000 2.593 555 S HA 0.289 4.760 4.470 0.001 0.000 0.269 555 S C -0.112 174.566 174.600 0.130 0.000 1.334 555 S CA -0.264 58.031 58.200 0.157 0.000 1.015 555 S CB -0.089 63.187 63.200 0.127 0.000 0.912 555 S HN 0.311 nan 8.310 nan 0.000 0.541 556 D N -0.206 120.264 120.400 0.116 0.000 2.701 556 D HA -0.148 4.492 4.640 0.001 0.000 0.235 556 D C -0.749 175.602 176.300 0.084 0.000 1.155 556 D CA 0.939 54.993 54.000 0.089 0.000 0.649 556 D CB -1.463 39.377 40.800 0.067 0.000 1.050 556 D HN 0.638 nan 8.370 nan 0.000 0.425 557 I N 0.515 121.153 120.570 0.115 0.000 2.378 557 I HA 0.086 4.256 4.170 0.001 0.000 0.291 557 I C 0.716 176.902 176.117 0.115 0.000 0.992 557 I CA -0.549 60.802 61.300 0.084 0.000 1.154 557 I CB 1.667 39.722 38.000 0.092 0.000 1.315 557 I HN -0.206 nan 8.210 nan 0.000 0.448 558 S N 5.437 121.172 115.700 0.059 0.000 2.560 558 S HA 0.069 4.540 4.470 0.001 0.000 0.284 558 S C 1.363 176.053 174.600 0.150 0.000 1.327 558 S CA -0.330 57.919 58.200 0.081 0.000 1.055 558 S CB 0.898 64.121 63.200 0.037 0.000 0.868 558 S HN 0.627 nan 8.310 nan 0.000 0.506 559 R N 2.304 122.913 120.500 0.181 0.000 2.096 559 R HA -0.199 4.141 4.340 0.001 0.000 0.240 559 R C 1.299 177.744 176.300 0.242 0.000 1.139 559 R CA 2.381 58.629 56.100 0.246 0.000 0.952 559 R CB -0.752 29.639 30.300 0.152 0.000 0.854 559 R HN 0.862 nan 8.270 nan 0.000 0.436 560 D N -0.593 119.879 120.400 0.121 0.000 2.351 560 D HA -0.122 4.518 4.640 0.001 0.000 0.216 560 D C 1.650 177.970 176.300 0.033 0.000 0.968 560 D CA 0.659 54.704 54.000 0.076 0.000 0.899 560 D CB -0.658 40.166 40.800 0.040 0.000 0.907 560 D HN 0.180 nan 8.370 nan 0.000 0.514 561 C N -0.414 118.871 119.300 -0.026 0.000 2.419 561 C HA -0.041 4.419 4.460 0.001 0.000 0.281 561 C C 0.532 175.375 174.990 -0.245 0.000 1.336 561 C CA -0.043 58.864 59.018 -0.186 0.000 1.770 561 C CB -1.461 26.078 27.740 -0.336 0.000 1.929 561 C HN 0.290 nan 8.230 nan 0.000 0.509 562 Y N 1.758 122.052 120.300 -0.009 0.000 2.309 562 Y HA 0.242 4.793 4.550 0.001 0.000 0.327 562 Y C 0.668 176.563 175.900 -0.008 0.000 1.172 562 Y CA -0.200 57.899 58.100 -0.002 0.000 1.280 562 Y CB 0.245 38.714 38.460 0.016 0.000 1.234 562 Y HN 0.183 nan 8.280 nan 0.000 0.512 563 N N 3.310 122.093 118.700 0.138 0.000 2.518 563 N HA 0.024 4.765 4.740 0.001 0.000 0.283 563 N C -0.409 175.133 175.510 0.054 0.000 1.119 563 N CA -0.080 53.011 53.050 0.068 0.000 0.983 563 N CB 0.601 39.114 38.487 0.043 0.000 1.139 563 N HN 0.660 nan 8.380 nan 0.000 0.465 564 D N 0.083 120.499 120.400 0.026 0.000 2.739 564 D HA -0.211 4.430 4.640 0.001 0.000 0.230 564 D C -0.401 175.885 176.300 -0.023 0.000 1.167 564 D CA 0.652 54.652 54.000 -0.001 0.000 0.640 564 D CB -0.953 39.844 40.800 -0.005 0.000 1.045 564 D HN 0.264 nan 8.370 nan 0.000 0.421 565 L N 0.667 121.879 121.223 -0.018 0.000 2.290 565 L HA 0.324 4.665 4.340 0.001 0.000 0.284 565 L C -1.598 175.216 176.870 -0.093 0.000 1.078 565 L CA -1.379 53.422 54.840 -0.066 0.000 0.815 565 L CB 0.473 42.495 42.059 -0.062 0.000 1.162 565 L HN -0.224 nan 8.230 nan 0.000 0.435 566 P HA 0.034 nan 4.420 nan 0.000 0.267 566 P C 0.626 177.830 177.300 -0.160 0.000 1.201 566 P CA 0.013 63.033 63.100 -0.134 0.000 0.775 566 P CB 0.511 32.110 31.700 -0.169 0.000 0.854 567 S N 0.853 116.479 115.700 -0.123 0.000 2.442 567 S HA -0.162 4.309 4.470 0.001 0.000 0.236 567 S C 1.134 175.581 174.600 -0.254 0.000 1.007 567 S CA 1.131 59.251 58.200 -0.134 0.000 0.965 567 S CB -0.890 62.282 63.200 -0.047 0.000 0.773 567 S HN 0.619 nan 8.310 nan 0.000 0.504 568 N N 1.014 119.583 118.700 -0.217 0.000 2.295 568 N HA 0.112 4.853 4.740 0.001 0.000 0.221 568 N C -0.597 174.716 175.510 -0.328 0.000 1.129 568 N CA -0.218 52.715 53.050 -0.194 0.000 0.836 568 N CB 0.222 38.745 38.487 0.059 0.000 1.040 568 N HN 0.322 nan 8.380 nan 0.000 0.494 569 V N 1.892 121.492 119.914 -0.523 0.000 2.378 569 V HA 0.377 4.498 4.120 0.001 0.000 0.288 569 V C -0.988 174.788 176.094 -0.529 0.000 1.016 569 V CA -0.759 61.340 62.300 -0.336 0.000 0.840 569 V CB 0.233 31.918 31.823 -0.231 0.000 0.994 569 V HN 0.053 nan 8.190 nan 0.000 0.431 570 Y N 2.997 123.331 120.300 0.058 0.000 2.496 570 Y HA 0.743 5.293 4.550 0.001 0.000 0.331 570 Y C 0.109 175.993 175.900 -0.026 0.000 1.140 570 Y CA -1.127 56.982 58.100 0.015 0.000 1.166 570 Y CB 1.819 40.294 38.460 0.025 0.000 1.249 570 Y HN 0.329 nan 8.280 nan 0.000 0.479 571 V N 1.510 121.479 119.914 0.091 0.000 2.495 571 V HA 0.387 4.507 4.120 0.001 0.000 0.298 571 V C -0.616 175.520 176.094 0.070 0.000 1.031 571 V CA -0.922 61.370 62.300 -0.013 0.000 0.871 571 V CB 1.502 33.170 31.823 -0.258 0.000 0.988 571 V HN 0.879 nan 8.190 nan 0.000 0.432 572 C N 3.595 122.949 119.300 0.089 0.000 2.376 572 C HA 0.713 5.173 4.460 0.001 0.000 0.335 572 C C 0.943 176.044 174.990 0.185 0.000 1.229 572 C CA -0.476 58.620 59.018 0.130 0.000 1.867 572 C CB 1.373 29.186 27.740 0.121 0.000 2.319 572 C HN 1.042 nan 8.230 nan 0.000 0.515 573 S N 2.530 118.360 115.700 0.217 0.000 2.681 573 S HA 0.755 5.225 4.470 0.001 0.000 0.270 573 S C 0.372 175.164 174.600 0.321 0.000 1.209 573 S CA -0.029 58.327 58.200 0.260 0.000 0.988 573 S CB 1.062 64.410 63.200 0.246 0.000 1.006 573 S HN 1.001 nan 8.310 nan 0.000 0.558 574 G N 0.270 109.242 108.800 0.286 0.000 2.509 574 G HA2 0.582 4.542 3.960 0.001 0.000 0.269 574 G HA3 0.582 4.542 3.960 0.001 0.000 0.269 574 G C -2.650 172.402 174.900 0.255 0.000 1.416 574 G CA -1.652 43.633 45.100 0.308 0.000 1.052 574 G HN 0.688 nan 8.290 nan 0.000 0.542 575 P HA 0.183 nan 4.420 nan 0.000 0.276 575 P C -0.916 176.294 177.300 -0.150 0.000 1.252 575 P CA -0.196 62.610 63.100 -0.490 0.000 0.802 575 P CB 1.303 32.177 31.700 -1.377 0.000 1.035 576 D N -1.083 119.276 120.400 -0.067 0.000 2.487 576 D HA 0.085 4.726 4.640 0.001 0.000 0.262 576 D C 0.751 177.018 176.300 -0.054 0.000 1.130 576 D CA -0.525 53.468 54.000 -0.012 0.000 1.038 576 D CB 0.880 41.713 40.800 0.055 0.000 1.142 576 D HN 0.342 nan 8.370 nan 0.000 0.575 577 S N -1.332 114.343 115.700 -0.041 0.000 2.593 577 S HA 0.198 4.668 4.470 0.001 0.000 0.217 577 S C 1.196 175.782 174.600 -0.022 0.000 0.966 577 S CA -0.152 58.016 58.200 -0.054 0.000 0.914 577 S CB -0.433 62.717 63.200 -0.083 0.000 0.776 577 S HN 0.677 nan 8.310 nan 0.000 0.523 578 G N 1.214 110.020 108.800 0.010 0.000 2.651 578 G HA2 0.416 4.377 3.960 0.001 0.000 0.260 578 G HA3 0.416 4.377 3.960 0.001 0.000 0.260 578 G C 0.527 175.459 174.900 0.054 0.000 1.216 578 G CA -0.412 44.715 45.100 0.046 0.000 0.913 578 G HN 0.311 nan 8.290 nan 0.000 0.535 579 L N 0.168 121.439 121.223 0.079 0.000 2.217 579 L HA 0.278 4.619 4.340 0.001 0.000 0.211 579 L C 1.426 178.350 176.870 0.091 0.000 1.107 579 L CA 1.729 56.600 54.840 0.051 0.000 0.783 579 L CB -0.661 41.425 42.059 0.044 0.000 0.919 579 L HN 0.595 nan 8.230 nan 0.000 0.442 580 G N -1.671 107.233 108.800 0.173 0.000 2.735 580 G HA2 0.263 4.223 3.960 0.001 0.000 0.301 580 G HA3 0.263 4.223 3.960 0.001 0.000 0.301 580 G C -0.295 174.727 174.900 0.205 0.000 1.279 580 G CA -0.423 44.807 45.100 0.216 0.000 1.019 580 G HN 0.189 nan 8.290 nan 0.000 0.497 581 N N -0.137 118.692 118.700 0.215 0.000 2.268 581 N HA 0.111 4.852 4.740 0.001 0.000 0.204 581 N C 0.593 176.193 175.510 0.150 0.000 1.124 581 N CA -0.240 52.944 53.050 0.223 0.000 0.838 581 N CB 0.880 39.490 38.487 0.205 0.000 0.994 581 N HN 0.329 nan 8.380 nan 0.000 0.489 582 D N 0.534 121.011 120.400 0.128 0.000 2.190 582 D HA -0.217 4.424 4.640 0.001 0.000 0.200 582 D C 1.499 177.840 176.300 0.068 0.000 0.992 582 D CA 0.942 54.989 54.000 0.078 0.000 0.854 582 D CB -0.124 40.711 40.800 0.059 0.000 0.936 582 D HN 0.394 nan 8.370 nan 0.000 0.462 583 N N 0.130 118.893 118.700 0.105 0.000 2.244 583 N HA -0.107 4.634 4.740 0.001 0.000 0.183 583 N C 1.654 177.220 175.510 0.095 0.000 1.016 583 N CA 0.984 54.096 53.050 0.104 0.000 0.866 583 N CB 0.178 38.749 38.487 0.140 0.000 0.980 583 N HN 0.081 nan 8.380 nan 0.000 0.430 584 A N 0.630 123.513 122.820 0.105 0.000 1.898 584 A HA -0.031 4.289 4.320 0.001 0.000 0.216 584 A C 2.403 179.939 177.584 -0.081 0.000 1.181 584 A CA 1.022 53.054 52.037 -0.008 0.000 0.620 584 A CB -0.567 18.338 19.000 -0.159 0.000 0.819 584 A HN 0.166 nan 8.150 nan 0.000 0.442 585 V N 0.126 120.005 119.914 -0.058 0.000 2.283 585 V HA -0.241 3.879 4.120 0.001 0.000 0.243 585 V C 2.389 178.431 176.094 -0.086 0.000 1.039 585 V CA 2.235 64.497 62.300 -0.065 0.000 1.016 585 V CB -0.797 31.017 31.823 -0.015 0.000 0.650 585 V HN 0.514 nan 8.190 nan 0.000 0.449 586 K N 0.585 120.949 120.400 -0.060 0.000 2.059 586 K HA -0.303 4.018 4.320 0.001 0.000 0.212 586 K C 2.306 178.850 176.600 -0.093 0.000 1.050 586 K CA 2.266 58.504 56.287 -0.081 0.000 0.927 586 K CB -0.330 32.150 32.500 -0.034 0.000 0.714 586 K HN 0.769 nan 8.250 nan 0.000 0.447 587 Q N 0.226 119.998 119.800 -0.047 0.000 2.119 587 Q HA -0.074 4.266 4.340 0.001 0.000 0.201 587 Q C 2.093 178.050 176.000 -0.073 0.000 0.972 587 Q CA 1.333 57.117 55.803 -0.032 0.000 0.847 587 Q CB -0.252 28.501 28.738 0.024 0.000 0.903 587 Q HN 0.242 nan 8.270 nan 0.000 0.433 588 A N 1.611 124.375 122.820 -0.093 0.000 1.877 588 A HA -0.245 4.075 4.320 0.001 0.000 0.216 588 A C 2.029 179.487 177.584 -0.210 0.000 1.186 588 A CA 1.571 53.557 52.037 -0.085 0.000 0.620 588 A CB -0.699 18.285 19.000 -0.027 0.000 0.822 588 A HN 0.551 nan 8.150 nan 0.000 0.443 589 E N -0.942 118.965 120.200 -0.488 0.000 2.038 589 E HA -0.182 4.169 4.350 0.001 0.000 0.195 589 E C 2.082 178.449 176.600 -0.387 0.000 1.000 589 E CA 1.843 57.706 56.400 -0.896 0.000 0.803 589 E CB -0.175 29.065 29.700 -0.766 0.000 0.750 589 E HN 0.583 nan 8.360 nan 0.000 0.448 590 T N 1.110 115.525 114.554 -0.231 0.000 2.720 590 T HA -0.172 4.178 4.350 0.001 0.000 0.268 590 T C 1.709 176.331 174.700 -0.128 0.000 1.037 590 T CA 0.880 62.898 62.100 -0.136 0.000 1.144 590 T CB -0.182 68.638 68.868 -0.079 0.000 0.864 590 T HN 0.034 nan 8.240 nan 0.000 0.444 591 L N 0.318 121.462 121.223 -0.132 0.000 2.017 591 L HA 0.070 4.410 4.340 0.001 0.000 0.208 591 L C 2.014 178.751 176.870 -0.221 0.000 1.073 591 L CA 1.480 56.199 54.840 -0.201 0.000 0.745 591 L CB -1.041 40.922 42.059 -0.161 0.000 0.894 591 L HN 0.228 nan 8.230 nan 0.000 0.432 592 F N 0.161 119.962 119.950 -0.248 0.000 2.154 592 F HA -0.300 4.228 4.527 0.001 0.000 0.301 592 F C 2.532 178.224 175.800 -0.181 0.000 1.087 592 F CA 1.661 59.556 58.000 -0.174 0.000 1.274 592 F CB -0.198 38.793 39.000 -0.015 0.000 1.009 592 F HN 0.206 nan 8.300 nan 0.000 0.485 593 Q N -0.536 119.180 119.800 -0.140 0.000 2.224 593 Q HA -0.212 4.128 4.340 0.001 0.000 0.203 593 Q C 2.102 177.967 176.000 -0.225 0.000 0.970 593 Q CA 1.712 57.410 55.803 -0.174 0.000 0.865 593 Q CB -0.127 28.554 28.738 -0.095 0.000 0.922 593 Q HN 0.595 nan 8.270 nan 0.000 0.445 594 Q N -0.529 119.122 119.800 -0.249 0.000 2.250 594 Q HA 0.021 4.361 4.340 0.001 0.000 0.200 594 Q C 1.789 177.608 176.000 -0.302 0.000 0.941 594 Q CA 0.667 56.343 55.803 -0.212 0.000 0.872 594 Q CB 0.379 29.021 28.738 -0.159 0.000 0.965 594 Q HN 0.420 nan 8.270 nan 0.000 0.480 595 I N -0.647 119.618 120.570 -0.509 0.000 2.585 595 I HA -0.070 4.100 4.170 0.001 0.000 0.254 595 I C 0.614 176.381 176.117 -0.583 0.000 1.129 595 I CA 0.349 61.254 61.300 -0.658 0.000 1.455 595 I CB 0.595 38.132 38.000 -0.773 0.000 1.111 595 I HN 0.060 nan 8.210 nan 0.000 0.433 596 C N 2.058 120.938 119.300 -0.699 0.000 3.335 596 C HA 0.383 4.844 4.460 0.001 0.000 0.217 596 C C -2.315 172.364 174.990 -0.519 0.000 1.330 596 C CA -1.465 57.152 59.018 -0.668 0.000 1.470 596 C CB -0.682 26.415 27.740 -1.072 0.000 1.806 596 C HN 0.077 nan 8.230 nan 0.000 0.468 597 P HA 0.026 nan 4.420 nan 0.000 0.264 597 P C -0.009 177.221 177.300 -0.117 0.000 1.183 597 P CA 0.943 63.939 63.100 -0.173 0.000 0.763 597 P CB 0.307 31.943 31.700 -0.107 0.000 0.807 598 N N 1.426 120.089 118.700 -0.062 0.000 2.556 598 N HA -0.210 4.530 4.740 0.001 0.000 0.288 598 N C -0.427 175.091 175.510 0.014 0.000 1.226 598 N CA 1.245 54.290 53.050 -0.009 0.000 0.719 598 N CB -0.723 37.758 38.487 -0.010 0.000 0.923 598 N HN 0.605 nan 8.380 nan 0.000 0.544 599 E N 0.735 120.989 120.200 0.090 0.000 2.347 599 E HA 0.092 4.442 4.350 0.001 0.000 0.285 599 E C -1.355 175.435 176.600 0.317 0.000 0.925 599 E CA -0.667 55.840 56.400 0.178 0.000 0.779 599 E CB 1.901 31.712 29.700 0.184 0.000 1.233 599 E HN 0.214 nan 8.360 nan 0.000 0.414 600 D N 1.715 122.228 120.400 0.187 0.000 2.487 600 D HA -0.009 4.632 4.640 0.001 0.000 0.243 600 D C -0.646 175.712 176.300 0.097 0.000 1.154 600 D CA 0.288 54.367 54.000 0.131 0.000 0.876 600 D CB 0.104 40.928 40.800 0.038 0.000 1.161 600 D HN 0.163 nan 8.370 nan 0.000 0.478 601 F N 5.100 124.961 119.950 -0.148 0.000 2.466 601 F HA 0.148 4.675 4.527 0.001 0.000 0.363 601 F C 0.351 175.901 175.800 -0.417 0.000 1.109 601 F CA -1.034 56.643 58.000 -0.537 0.000 1.161 601 F CB -0.263 38.518 39.000 -0.365 0.000 1.117 601 F HN 0.496 nan 8.300 nan 0.000 0.539 602 C N 5.866 124.577 119.300 -0.981 0.000 3.727 602 C HA -0.170 4.291 4.460 0.001 0.000 0.293 602 C C -2.162 172.585 174.990 -0.406 0.000 1.339 602 C CA -0.793 57.778 59.018 -0.745 0.000 2.150 602 C CB -2.732 24.459 27.740 -0.914 0.000 1.383 602 C HN 0.634 nan 8.230 nan 0.000 0.614 603 P HA 0.366 nan 4.420 nan 0.000 0.271 603 P C 0.041 177.244 177.300 -0.163 0.000 1.233 603 P CA 0.362 63.358 63.100 -0.172 0.000 0.789 603 P CB 0.555 32.181 31.700 -0.123 0.000 0.951 604 A N 2.825 125.584 122.820 -0.101 0.000 2.477 604 A HA 0.352 4.672 4.320 0.001 0.000 0.246 604 A C -2.017 175.540 177.584 -0.045 0.000 1.078 604 A CA -0.864 51.129 52.037 -0.074 0.000 0.770 604 A CB -1.386 17.584 19.000 -0.049 0.000 1.011 604 A HN 0.416 nan 8.150 nan 0.000 0.494 605 P HA 0.234 nan 4.420 nan 0.000 0.270 605 P C -2.284 175.054 177.300 0.062 0.000 1.223 605 P CA -0.601 62.557 63.100 0.097 0.000 0.785 605 P CB -0.323 31.491 31.700 0.191 0.000 0.923 606 P HA 0.029 nan 4.420 nan 0.000 0.267 606 P C -0.413 176.905 177.300 0.030 0.000 1.195 606 P CA 0.682 63.812 63.100 0.049 0.000 0.773 606 P CB 0.268 32.005 31.700 0.063 0.000 0.837 607 N N 1.800 120.510 118.700 0.016 0.000 2.406 607 N HA 0.227 4.967 4.740 0.001 0.000 0.283 607 N C -2.505 173.007 175.510 0.005 0.000 1.074 607 N CA -1.758 51.297 53.050 0.008 0.000 0.916 607 N CB 1.471 39.959 38.487 0.001 0.000 1.639 607 N HN 0.012 nan 8.380 nan 0.000 0.485 608 P HA 0.115 nan 4.420 nan 0.000 0.237 608 P C 0.317 177.616 177.300 -0.001 0.000 1.178 608 P CA 0.734 63.834 63.100 0.001 0.000 0.766 608 P CB 0.524 32.224 31.700 0.000 0.000 0.876 609 E N -0.841 119.358 120.200 -0.002 0.000 2.452 609 E HA -0.024 4.326 4.350 0.001 0.000 0.197 609 E C 0.947 177.545 176.600 -0.004 0.000 1.022 609 E CA 0.349 56.747 56.400 -0.003 0.000 0.890 609 E CB -0.221 29.476 29.700 -0.005 0.000 0.918 609 E HN 0.303 nan 8.360 nan 0.000 0.496 610 D N 1.086 121.484 120.400 -0.003 0.000 2.087 610 D HA -0.115 4.526 4.640 0.001 0.000 0.192 610 D C 0.696 176.994 176.300 -0.003 0.000 0.993 610 D CA 0.988 54.986 54.000 -0.003 0.000 0.828 610 D CB 0.200 40.999 40.800 -0.002 0.000 0.968 610 D HN 0.112 nan 8.370 nan 0.000 0.448 611 I N 1.917 122.486 120.570 -0.001 0.000 2.337 611 I HA 0.134 4.304 4.170 0.001 0.000 0.285 611 I C -0.267 175.849 176.117 -0.001 0.000 1.041 611 I CA -0.557 60.743 61.300 -0.001 0.000 1.199 611 I CB 1.027 39.027 38.000 0.000 0.000 1.370 611 I HN -0.294 nan 8.210 nan 0.000 0.470 612 V N 7.829 127.742 119.914 -0.002 0.000 2.498 612 V HA 0.357 4.478 4.120 0.001 0.000 0.279 612 V C 0.490 176.583 176.094 -0.002 0.000 1.048 612 V CA -0.346 61.953 62.300 -0.002 0.000 0.967 612 V CB 1.604 33.425 31.823 -0.003 0.000 0.988 612 V HN 0.458 nan 8.190 nan 0.000 0.473 613 L N 2.772 123.994 121.223 -0.001 0.000 2.304 613 L HA 0.549 4.890 4.340 0.001 0.000 0.268 613 L C 0.614 177.483 176.870 -0.001 0.000 1.010 613 L CA -0.922 53.917 54.840 -0.001 0.000 0.813 613 L CB 1.260 43.319 42.059 -0.001 0.000 1.315 613 L HN 0.551 nan 8.230 nan 0.000 0.445 614 D N 0.000 120.399 120.400 -0.001 0.000 6.856 614 D HA 0.000 4.640 4.640 0.001 0.000 0.175 614 D CA 0.000 53.999 54.000 -0.001 0.000 0.868 614 D CB 0.000 40.799 40.800 -0.001 0.000 0.688 614 D HN 0.000 nan 8.370 nan 0.000 0.683