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 2jiz_1_I DATA FIRST_RESID 23 DATA SEQUENCE VDLEETGRVL SIGDGIARVH GLRNVQAEEM VEFSSGLKGM SLNLEPDNVG DATA SEQUENCE VVVFGNDKLI KEGDIVKRTG AIVDVPVGEE LLGRVVDALG NAIDGKGPIG DATA SEQUENCE SKARRRVGLK APGIIPRISV REPMQTGIKA VDSLVPIGRG QRELIIGDRQ DATA SEQUENCE TGKTSIAIDT IINQKRFNDG TDEKKKLYCI YVAIGQKRST VAQLVKRLTD DATA SEQUENCE ADAMKYTIVV SATASDAAPL QYLAPYSGCS MGEYFRDNGK HALIIYDDLS DATA SEQUENCE KQAVAYRQMS LLLRRPPGRE AYPGDVFYLH SRLLERAAKM NDAFGGGSLT DATA SEQUENCE ALPVIETQAG DVSAYIPTNV ISITDGQIFL ETELFYKGIR PAINVGLSVS DATA SEQUENCE RVGSAAQTRA MKQVAGTMKL ELAQYREVAX XXXXXXXLDA ATQQLLSRGV DATA SEQUENCE RLTELLKQGQ YSPMAIEEQV AVIYAGVRGY LDKLEPSKIT KFENAFLSHV DATA SEQUENCE ISQHQALLSK IRTDGKISEE SDAKLKEIVT NFLAGFE 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 23 V HA 0.000 nan 4.120 nan 0.000 0.244 23 V C 0.000 176.100 176.094 0.010 0.000 1.182 23 V CA 0.000 62.309 62.300 0.014 0.000 1.235 23 V CB 0.000 31.829 31.823 0.010 0.000 1.184 24 D N 1.108 121.510 120.400 0.004 0.000 2.438 24 D HA 0.513 5.153 4.640 0.000 0.000 0.257 24 D C 0.698 176.990 176.300 -0.014 0.000 1.148 24 D CA -0.308 53.689 54.000 -0.005 0.000 0.902 24 D CB 0.963 41.758 40.800 -0.009 0.000 1.062 24 D HN 0.347 nan 8.370 nan 0.000 0.518 25 L N 2.166 123.378 121.223 -0.018 0.000 2.599 25 L HA 0.131 4.471 4.340 0.000 0.000 0.230 25 L C 1.848 178.679 176.870 -0.066 0.000 1.141 25 L CA 0.401 55.213 54.840 -0.046 0.000 0.877 25 L CB 0.123 42.147 42.059 -0.058 0.000 1.009 25 L HN 0.359 nan 8.230 nan 0.000 0.447 26 E N -0.022 120.151 120.200 -0.045 0.000 2.086 26 E HA -0.092 4.258 4.350 0.000 0.000 0.190 26 E C 1.371 177.945 176.600 -0.043 0.000 0.975 26 E CA 0.676 57.050 56.400 -0.044 0.000 0.813 26 E CB 0.275 29.957 29.700 -0.031 0.000 0.768 26 E HN 0.383 nan 8.360 nan 0.000 0.457 27 E N 0.035 120.213 120.200 -0.037 0.000 2.476 27 E HA 0.129 4.479 4.350 0.000 0.000 0.199 27 E C 0.096 176.668 176.600 -0.046 0.000 1.021 27 E CA 0.317 56.694 56.400 -0.037 0.000 0.907 27 E CB 1.264 30.947 29.700 -0.028 0.000 0.974 27 E HN -0.041 nan 8.360 nan 0.000 0.489 28 T N -0.188 114.338 114.554 -0.048 0.000 2.909 28 T HA 0.650 5.000 4.350 0.000 0.000 0.299 28 T C -0.324 174.345 174.700 -0.052 0.000 1.073 28 T CA -0.538 61.532 62.100 -0.049 0.000 0.999 28 T CB 2.288 71.139 68.868 -0.029 0.000 1.098 28 T HN 0.126 nan 8.240 nan 0.000 0.477 29 G N 1.161 109.928 108.800 -0.054 0.000 2.798 29 G HA2 0.810 4.770 3.960 0.000 0.000 0.286 29 G HA3 0.810 4.770 3.960 0.000 0.000 0.286 29 G C -1.545 173.362 174.900 0.012 0.000 1.389 29 G CA -1.057 44.025 45.100 -0.030 0.000 0.894 29 G HN 0.830 nan 8.290 nan 0.000 0.488 30 R N -1.036 119.505 120.500 0.068 0.000 2.686 30 R HA 0.659 4.999 4.340 0.000 0.000 0.283 30 R C -1.305 175.054 176.300 0.099 0.000 0.978 30 R CA -0.812 55.337 56.100 0.081 0.000 0.897 30 R CB 2.016 32.367 30.300 0.085 0.000 1.192 30 R HN 0.278 nan 8.270 nan 0.000 0.457 31 V N 4.763 124.740 119.914 0.104 0.000 2.450 31 V HA -0.007 4.113 4.120 0.000 0.000 0.281 31 V C 1.379 177.519 176.094 0.076 0.000 1.019 31 V CA 0.127 62.497 62.300 0.116 0.000 1.062 31 V CB 0.512 32.424 31.823 0.148 0.000 0.979 31 V HN 0.755 nan 8.190 nan 0.000 0.477 32 L N 3.956 125.222 121.223 0.072 0.000 2.127 32 L HA 0.094 4.434 4.340 0.000 0.000 0.203 32 L C 0.975 177.861 176.870 0.027 0.000 1.080 32 L CA 1.040 55.905 54.840 0.042 0.000 0.768 32 L CB 0.104 42.192 42.059 0.049 0.000 0.924 32 L HN 0.870 nan 8.230 nan 0.000 0.444 33 S N -1.389 114.329 115.700 0.031 0.000 2.587 33 S HA 0.640 5.110 4.470 0.000 0.000 0.269 33 S C -1.097 173.508 174.600 0.009 0.000 1.154 33 S CA -0.834 57.375 58.200 0.014 0.000 0.824 33 S CB 2.579 65.782 63.200 0.005 0.000 1.118 33 S HN 0.005 nan 8.310 nan 0.000 0.462 34 I N -0.376 120.188 120.570 -0.010 0.000 2.743 34 I HA 0.763 4.933 4.170 0.000 0.000 0.292 34 I C 0.151 176.245 176.117 -0.039 0.000 1.343 34 I CA 0.767 62.048 61.300 -0.032 0.000 1.038 34 I CB 1.499 39.466 38.000 -0.055 0.000 1.311 34 I HN 1.425 nan 8.210 nan 0.000 0.426 35 G N 4.367 113.139 108.800 -0.046 0.000 3.987 35 G HA2 -0.053 3.907 3.960 0.000 0.000 0.220 35 G HA3 -0.053 3.907 3.960 0.000 0.000 0.220 35 G C 0.051 174.925 174.900 -0.043 0.000 0.871 35 G CA 0.017 45.091 45.100 -0.043 0.000 0.881 35 G HN 0.521 nan 8.290 nan 0.000 0.674 36 D N 1.076 121.448 120.400 -0.046 0.000 2.525 36 D HA 0.384 5.024 4.640 0.000 0.000 0.229 36 D C 1.746 178.010 176.300 -0.060 0.000 1.202 36 D CA 0.784 54.755 54.000 -0.049 0.000 0.828 36 D CB 0.169 40.942 40.800 -0.046 0.000 1.008 36 D HN 0.833 nan 8.370 nan 0.000 0.493 37 G N 0.875 109.636 108.800 -0.066 0.000 2.189 37 G HA2 -0.260 3.700 3.960 0.000 0.000 0.267 37 G HA3 -0.260 3.700 3.960 0.000 0.000 0.267 37 G C 0.326 175.171 174.900 -0.091 0.000 0.975 37 G CA -0.092 44.960 45.100 -0.079 0.000 0.644 37 G HN 0.331 nan 8.290 nan 0.000 0.537 38 I N 0.936 121.461 120.570 -0.075 0.000 2.406 38 I HA 0.670 4.840 4.170 0.000 0.000 0.290 38 I C 0.517 176.612 176.117 -0.037 0.000 0.999 38 I CA -1.064 60.200 61.300 -0.061 0.000 1.124 38 I CB 1.382 39.350 38.000 -0.052 0.000 1.289 38 I HN 0.284 nan 8.210 nan 0.000 0.441 39 A N 7.767 130.583 122.820 -0.007 0.000 2.289 39 A HA 0.647 4.967 4.320 0.000 0.000 0.298 39 A C 0.013 177.640 177.584 0.071 0.000 1.208 39 A CA -0.662 51.404 52.037 0.048 0.000 0.845 39 A CB 0.549 19.634 19.000 0.143 0.000 1.125 39 A HN 0.586 nan 8.150 nan 0.000 0.517 40 R N 1.906 122.440 120.500 0.057 0.000 2.265 40 R HA 0.484 4.824 4.340 0.000 0.000 0.319 40 R C -1.198 175.148 176.300 0.076 0.000 1.006 40 R CA -0.368 55.763 56.100 0.053 0.000 0.880 40 R CB 1.310 31.630 30.300 0.035 0.000 1.077 40 R HN 0.436 nan 8.270 nan 0.000 0.454 41 V N 3.311 123.266 119.914 0.068 0.000 2.444 41 V HA 0.161 4.281 4.120 0.000 0.000 0.294 41 V C -0.095 176.042 176.094 0.071 0.000 1.022 41 V CA -1.005 61.337 62.300 0.071 0.000 0.850 41 V CB 1.459 33.298 31.823 0.027 0.000 0.992 41 V HN 0.717 nan 8.190 nan 0.000 0.426 42 H N 3.385 122.457 119.070 0.004 0.000 2.652 42 H HA 0.623 5.179 4.556 0.000 0.000 0.349 42 H C 0.677 175.999 175.328 -0.010 0.000 1.099 42 H CA 1.623 57.670 56.048 -0.002 0.000 1.417 42 H CB 1.060 30.823 29.762 0.001 0.000 1.457 42 H HN 1.105 nan 8.280 nan 0.000 0.568 43 G N 2.978 111.404 108.800 -0.623 0.000 2.496 43 G HA2 -0.247 3.713 3.960 0.000 0.000 0.243 43 G HA3 -0.247 3.713 3.960 0.000 0.000 0.243 43 G C -0.004 174.779 174.900 -0.194 0.000 1.176 43 G CA -0.348 44.513 45.100 -0.398 0.000 0.940 43 G HN 1.222 nan 8.290 nan 0.000 0.573 44 L N -0.323 120.824 121.223 -0.126 0.000 3.739 44 L HA -0.220 4.120 4.340 0.000 0.000 0.442 44 L C 2.183 179.002 176.870 -0.084 0.000 1.241 44 L CA 0.759 55.543 54.840 -0.093 0.000 0.819 44 L CB -0.757 41.250 42.059 -0.088 0.000 1.679 44 L HN 0.613 nan 8.230 nan 0.000 0.889 45 R N 0.056 120.503 120.500 -0.087 0.000 2.152 45 R HA -0.057 4.283 4.340 0.000 0.000 0.232 45 R C 1.402 177.673 176.300 -0.049 0.000 1.117 45 R CA 1.212 57.269 56.100 -0.072 0.000 0.981 45 R CB -0.367 29.892 30.300 -0.068 0.000 0.870 45 R HN 0.554 nan 8.270 nan 0.000 0.451 46 N N 0.132 118.805 118.700 -0.044 0.000 2.230 46 N HA 0.017 4.757 4.740 0.000 0.000 0.202 46 N C -0.089 175.403 175.510 -0.029 0.000 1.119 46 N CA 0.004 53.035 53.050 -0.032 0.000 0.851 46 N CB 0.499 38.969 38.487 -0.027 0.000 0.990 46 N HN -0.011 nan 8.380 nan 0.000 0.497 47 V N -0.280 119.612 119.914 -0.035 0.000 2.872 47 V HA 0.090 4.210 4.120 0.000 0.000 0.307 47 V C 0.521 176.604 176.094 -0.019 0.000 1.072 47 V CA -0.571 61.711 62.300 -0.029 0.000 1.148 47 V CB 0.346 32.148 31.823 -0.036 0.000 0.954 47 V HN 0.075 nan 8.190 nan 0.000 0.490 48 Q N 2.204 121.997 119.800 -0.010 0.000 2.221 48 Q HA 0.677 5.017 4.340 0.000 0.000 0.242 48 Q C 0.255 176.257 176.000 0.003 0.000 0.940 48 Q CA -0.416 55.386 55.803 -0.002 0.000 0.896 48 Q CB 1.293 30.033 28.738 0.003 0.000 1.226 48 Q HN 1.105 nan 8.270 nan 0.000 0.463 49 A N 1.513 124.338 122.820 0.008 0.000 2.520 49 A HA 0.043 4.363 4.320 0.000 0.000 0.245 49 A C 0.091 177.690 177.584 0.025 0.000 1.072 49 A CA 0.278 52.324 52.037 0.016 0.000 0.761 49 A CB -0.288 18.724 19.000 0.020 0.000 1.004 49 A HN 0.941 nan 8.150 nan 0.000 0.499 50 E N -0.583 119.638 120.200 0.035 0.000 3.628 50 E HA -0.204 4.146 4.350 0.000 0.000 0.309 50 E C 0.167 176.802 176.600 0.058 0.000 0.839 50 E CA 1.181 57.614 56.400 0.055 0.000 1.123 50 E CB -1.389 28.340 29.700 0.049 0.000 1.568 50 E HN 0.937 nan 8.360 nan 0.000 0.440 51 E N 0.857 121.080 120.200 0.039 0.000 2.338 51 E HA 0.230 4.580 4.350 0.000 0.000 0.272 51 E C -0.020 176.612 176.600 0.053 0.000 1.029 51 E CA -0.365 56.056 56.400 0.036 0.000 0.872 51 E CB 0.629 30.335 29.700 0.012 0.000 1.015 51 E HN 0.046 nan 8.360 nan 0.000 0.417 52 M N 5.366 125.009 119.600 0.072 0.000 2.219 52 M HA 0.130 4.610 4.480 0.000 0.000 0.353 52 M C -0.986 175.335 176.300 0.034 0.000 1.304 52 M CA -0.145 55.216 55.300 0.102 0.000 1.115 52 M CB 0.828 33.501 32.600 0.122 0.000 1.664 52 M HN 0.349 nan 8.290 nan 0.000 0.459 53 V N 1.665 121.581 119.914 0.004 0.000 3.113 53 V HA 0.743 4.863 4.120 0.000 0.000 0.316 53 V C -0.940 175.086 176.094 -0.114 0.000 1.125 53 V CA -0.856 61.382 62.300 -0.102 0.000 1.026 53 V CB 1.947 33.642 31.823 -0.214 0.000 1.080 53 V HN 0.873 nan 8.190 nan 0.000 0.444 54 E N 0.812 120.899 120.200 -0.189 0.000 2.218 54 E HA 0.521 4.871 4.350 0.000 0.000 0.263 54 E C -1.755 174.727 176.600 -0.197 0.000 0.879 54 E CA -0.663 55.682 56.400 -0.092 0.000 0.762 54 E CB 1.660 31.352 29.700 -0.013 0.000 1.166 54 E HN 0.640 nan 8.360 nan 0.000 0.415 55 F N 1.826 121.790 119.950 0.024 0.000 2.389 55 F HA 0.045 4.572 4.527 0.000 0.000 0.337 55 F C 2.046 177.857 175.800 0.018 0.000 1.112 55 F CA 0.061 58.071 58.000 0.017 0.000 1.192 55 F CB 1.373 40.380 39.000 0.013 0.000 1.185 55 F HN 0.582 nan 8.300 nan 0.000 0.552 56 S N -0.092 115.716 115.700 0.181 0.000 2.407 56 S HA -0.252 4.219 4.470 0.000 0.000 0.235 56 S C 1.744 176.407 174.600 0.104 0.000 1.036 56 S CA 1.446 59.710 58.200 0.107 0.000 1.013 56 S CB -1.015 62.238 63.200 0.088 0.000 0.820 56 S HN 0.689 nan 8.310 nan 0.000 0.476 57 S N 0.267 116.045 115.700 0.130 0.000 2.660 57 S HA 0.456 4.926 4.470 0.000 0.000 0.223 57 S C 1.602 176.256 174.600 0.090 0.000 0.963 57 S CA 0.448 58.701 58.200 0.088 0.000 0.932 57 S CB -0.626 62.611 63.200 0.061 0.000 0.775 57 S HN 1.496 nan 8.310 nan 0.000 0.531 58 G N 0.671 109.540 108.800 0.115 0.000 2.241 58 G HA2 -0.236 3.724 3.960 0.000 0.000 0.244 58 G HA3 -0.236 3.724 3.960 0.000 0.000 0.244 58 G C 0.014 174.997 174.900 0.138 0.000 0.998 58 G CA 0.032 45.194 45.100 0.104 0.000 0.621 58 G HN 0.519 nan 8.290 nan 0.000 0.519 59 L N 1.296 122.624 121.223 0.174 0.000 2.485 59 L HA 0.292 4.632 4.340 0.000 0.000 0.275 59 L C 0.628 177.709 176.870 0.351 0.000 1.207 59 L CA 0.052 55.017 54.840 0.210 0.000 0.855 59 L CB 0.488 42.606 42.059 0.097 0.000 1.114 59 L HN 0.039 nan 8.230 nan 0.000 0.485 60 K N 2.302 122.893 120.400 0.320 0.000 2.123 60 K HA 0.664 4.984 4.320 0.000 0.000 0.259 60 K C -0.022 176.817 176.600 0.398 0.000 0.960 60 K CA -0.438 56.061 56.287 0.352 0.000 0.872 60 K CB 1.969 34.669 32.500 0.334 0.000 1.079 60 K HN 0.744 nan 8.250 nan 0.000 0.440 61 G N 0.505 109.490 108.800 0.309 0.000 2.733 61 G HA2 0.614 4.574 3.960 0.000 0.000 0.288 61 G HA3 0.614 4.574 3.960 0.000 0.000 0.288 61 G C -1.485 173.419 174.900 0.007 0.000 1.373 61 G CA -0.722 44.428 45.100 0.083 0.000 0.895 61 G HN 0.473 nan 8.290 nan 0.000 0.479 62 M N 1.230 120.732 119.600 -0.163 0.000 2.181 62 M HA 0.450 4.930 4.480 0.000 0.000 0.323 62 M C -0.320 175.972 176.300 -0.014 0.000 1.004 62 M CA -0.533 54.768 55.300 0.001 0.000 0.941 62 M CB 1.490 34.143 32.600 0.088 0.000 1.579 62 M HN 0.368 nan 8.290 nan 0.000 0.427 63 S N 5.100 120.805 115.700 0.008 0.000 2.589 63 S HA 0.032 4.502 4.470 0.000 0.000 0.306 63 S C 0.456 175.063 174.600 0.012 0.000 1.221 63 S CA -0.316 57.883 58.200 -0.000 0.000 1.159 63 S CB 0.265 63.463 63.200 -0.004 0.000 0.990 63 S HN 0.709 nan 8.310 nan 0.000 0.514 64 L N 4.343 125.568 121.223 0.003 0.000 2.356 64 L HA 0.420 4.760 4.340 0.000 0.000 0.193 64 L C -0.031 176.844 176.870 0.009 0.000 1.087 64 L CA 1.165 56.011 54.840 0.010 0.000 0.817 64 L CB -0.059 41.996 42.059 -0.007 0.000 1.035 64 L HN 0.406 nan 8.230 nan 0.000 0.482 65 N N 0.557 119.257 118.700 0.000 0.000 2.457 65 N HA 0.456 5.196 4.740 0.000 0.000 0.250 65 N C -1.387 174.122 175.510 -0.001 0.000 0.982 65 N CA -0.075 52.975 53.050 0.001 0.000 0.941 65 N CB 0.993 39.478 38.487 -0.003 0.000 1.120 65 N HN 0.109 nan 8.380 nan 0.000 0.505 66 L N 2.246 123.469 121.223 -0.001 0.000 2.259 66 L HA 0.382 4.722 4.340 0.000 0.000 0.288 66 L C 0.263 177.131 176.870 -0.005 0.000 1.051 66 L CA -0.268 54.568 54.840 -0.006 0.000 0.824 66 L CB 0.427 42.482 42.059 -0.007 0.000 1.206 66 L HN 0.417 nan 8.230 nan 0.000 0.429 67 E N 3.711 123.908 120.200 -0.006 0.000 2.263 67 E HA 0.305 4.655 4.350 0.000 0.000 0.264 67 E C -1.747 174.850 176.600 -0.005 0.000 0.923 67 E CA -1.858 54.540 56.400 -0.002 0.000 0.802 67 E CB 1.862 31.563 29.700 0.002 0.000 1.228 67 E HN 0.273 nan 8.360 nan 0.000 0.417 68 P HA -0.206 nan 4.420 nan 0.000 0.217 68 P C 0.370 177.669 177.300 -0.001 0.000 1.148 68 P CA 1.489 64.588 63.100 -0.002 0.000 0.834 68 P CB 0.166 31.868 31.700 0.003 0.000 0.783 69 D N -2.710 117.696 120.400 0.010 0.000 2.520 69 D HA 0.062 4.702 4.640 0.000 0.000 0.223 69 D C -0.046 176.282 176.300 0.045 0.000 1.186 69 D CA -0.244 53.776 54.000 0.033 0.000 0.821 69 D CB -0.719 40.113 40.800 0.054 0.000 1.072 69 D HN 0.330 nan 8.370 nan 0.000 0.518 70 N N -1.363 117.346 118.700 0.015 0.000 2.961 70 N HA 0.417 5.157 4.740 0.000 0.000 0.245 70 N C -1.887 173.620 175.510 -0.004 0.000 1.404 70 N CA -0.945 52.115 53.050 0.016 0.000 0.880 70 N CB 1.783 40.294 38.487 0.039 0.000 1.461 70 N HN -0.207 nan 8.380 nan 0.000 0.510 71 V N 0.041 119.951 119.914 -0.006 0.000 2.459 71 V HA 0.784 4.904 4.120 0.000 0.000 0.295 71 V C 0.660 176.757 176.094 0.006 0.000 1.029 71 V CA -0.586 61.708 62.300 -0.009 0.000 0.874 71 V CB 1.296 33.103 31.823 -0.027 0.000 0.985 71 V HN 0.876 nan 8.190 nan 0.000 0.438 72 G N 3.253 112.055 108.800 0.003 0.000 2.319 72 G HA2 0.543 4.503 3.960 0.000 0.000 0.308 72 G HA3 0.543 4.503 3.960 0.000 0.000 0.308 72 G C -0.841 174.060 174.900 0.002 0.000 1.117 72 G CA -0.269 44.834 45.100 0.004 0.000 0.903 72 G HN 0.542 nan 8.290 nan 0.000 0.436 73 V N 3.795 123.723 119.914 0.023 0.000 2.409 73 V HA 0.220 4.340 4.120 0.000 0.000 0.291 73 V C 0.270 176.351 176.094 -0.021 0.000 1.020 73 V CA -0.740 61.579 62.300 0.031 0.000 0.848 73 V CB 1.599 33.507 31.823 0.142 0.000 0.990 73 V HN 0.534 nan 8.190 nan 0.000 0.430 74 V N 6.042 125.885 119.914 -0.118 0.000 2.555 74 V HA 0.199 4.319 4.120 0.000 0.000 0.286 74 V C 0.237 176.097 176.094 -0.391 0.000 1.044 74 V CA -0.189 61.969 62.300 -0.237 0.000 1.026 74 V CB 1.521 33.182 31.823 -0.269 0.000 0.981 74 V HN 0.608 nan 8.190 nan 0.000 0.480 75 V N 6.145 125.871 119.914 -0.313 0.000 2.383 75 V HA 0.332 4.452 4.120 0.000 0.000 0.275 75 V C 0.022 175.972 176.094 -0.240 0.000 1.036 75 V CA -0.262 61.873 62.300 -0.275 0.000 0.889 75 V CB 1.009 32.684 31.823 -0.248 0.000 0.985 75 V HN 0.733 nan 8.190 nan 0.000 0.459 76 F N 4.578 124.580 119.950 0.087 0.000 2.669 76 F HA 0.612 5.139 4.527 -0.000 0.000 0.353 76 F C 1.154 176.987 175.800 0.054 0.000 1.192 76 F CA 0.249 58.301 58.000 0.086 0.000 1.317 76 F CB 0.340 39.405 39.000 0.107 0.000 1.652 76 F HN 0.741 nan 8.300 nan 0.000 0.608 77 G N 0.401 109.292 108.800 0.151 0.000 2.333 77 G HA2 -0.053 3.907 3.960 0.000 0.000 0.288 77 G HA3 -0.053 3.907 3.960 0.000 0.000 0.288 77 G C -1.770 173.137 174.900 0.013 0.000 1.286 77 G CA -1.164 43.986 45.100 0.083 0.000 0.865 77 G HN 0.063 nan 8.290 nan 0.000 0.506 78 N N 1.597 120.294 118.700 -0.005 0.000 2.431 78 N HA 0.161 4.901 4.740 0.000 0.000 0.265 78 N C 1.039 176.499 175.510 -0.083 0.000 1.184 78 N CA 0.318 53.349 53.050 -0.031 0.000 0.943 78 N CB 0.842 39.319 38.487 -0.017 0.000 1.080 78 N HN 0.515 nan 8.380 nan 0.000 0.477 79 D N 3.135 123.473 120.400 -0.102 0.000 2.347 79 D HA -0.149 4.491 4.640 0.000 0.000 0.213 79 D C 1.300 177.524 176.300 -0.126 0.000 0.985 79 D CA 0.213 54.117 54.000 -0.160 0.000 0.879 79 D CB 0.191 40.892 40.800 -0.164 0.000 0.919 79 D HN 0.657 nan 8.370 nan 0.000 0.526 80 K N 1.762 122.114 120.400 -0.081 0.000 2.173 80 K HA -0.169 4.151 4.320 0.000 0.000 0.207 80 K C 1.771 178.334 176.600 -0.061 0.000 1.046 80 K CA 0.886 57.138 56.287 -0.058 0.000 0.929 80 K CB -0.296 32.182 32.500 -0.037 0.000 0.720 80 K HN 0.190 nan 8.250 nan 0.000 0.453 81 L N 1.313 122.491 121.223 -0.075 0.000 2.675 81 L HA 0.204 4.544 4.340 0.000 0.000 0.239 81 L C 0.290 177.107 176.870 -0.088 0.000 1.151 81 L CA -0.004 54.797 54.840 -0.064 0.000 0.905 81 L CB -0.088 41.941 42.059 -0.050 0.000 1.057 81 L HN 0.179 nan 8.230 nan 0.000 0.435 82 I N -0.189 120.306 120.570 -0.125 0.000 2.498 82 I HA 0.292 4.462 4.170 0.000 0.000 0.290 82 I C -0.331 175.746 176.117 -0.067 0.000 1.032 82 I CA -0.478 60.739 61.300 -0.137 0.000 1.073 82 I CB 1.941 39.743 38.000 -0.330 0.000 1.251 82 I HN -0.039 nan 8.210 nan 0.000 0.426 83 K N 4.192 124.583 120.400 -0.015 0.000 2.340 83 K HA 0.371 4.691 4.320 0.000 0.000 0.244 83 K C -0.618 175.995 176.600 0.022 0.000 0.973 83 K CA -0.968 55.319 56.287 -0.001 0.000 0.828 83 K CB 2.205 34.708 32.500 0.005 0.000 1.226 83 K HN 0.513 nan 8.250 nan 0.000 0.437 84 E N 0.457 120.666 120.200 0.015 0.000 2.558 84 E HA -0.073 4.277 4.350 0.000 0.000 0.255 84 E C 0.484 177.101 176.600 0.029 0.000 0.968 84 E CA 1.349 57.763 56.400 0.023 0.000 0.939 84 E CB 0.106 29.812 29.700 0.010 0.000 0.921 84 E HN 0.803 nan 8.360 nan 0.000 0.477 85 G N 4.196 113.020 108.800 0.040 0.000 2.232 85 G HA2 -0.224 3.736 3.960 0.000 0.000 0.226 85 G HA3 -0.224 3.736 3.960 0.000 0.000 0.226 85 G C -0.147 174.786 174.900 0.054 0.000 0.996 85 G CA 0.040 45.163 45.100 0.038 0.000 0.626 85 G HN 0.649 nan 8.290 nan 0.000 0.509 86 D N 0.828 121.273 120.400 0.075 0.000 2.488 86 D HA 0.356 4.996 4.640 0.000 0.000 0.238 86 D C 1.011 177.370 176.300 0.098 0.000 1.138 86 D CA 0.182 54.242 54.000 0.099 0.000 0.873 86 D CB 0.588 41.477 40.800 0.150 0.000 1.183 86 D HN 0.348 nan 8.370 nan 0.000 0.458 87 I N 1.779 122.392 120.570 0.070 0.000 2.588 87 I HA 0.042 4.212 4.170 0.000 0.000 0.283 87 I C 0.054 176.167 176.117 -0.007 0.000 1.119 87 I CA -0.021 61.298 61.300 0.031 0.000 1.419 87 I CB 0.781 38.793 38.000 0.019 0.000 1.394 87 I HN -0.008 nan 8.210 nan 0.000 0.562 88 V N 6.650 126.513 119.914 -0.085 0.000 2.540 88 V HA 0.480 4.600 4.120 0.000 0.000 0.302 88 V C -0.143 175.845 176.094 -0.177 0.000 1.035 88 V CA -1.001 61.146 62.300 -0.254 0.000 0.873 88 V CB 1.629 33.216 31.823 -0.394 0.000 0.992 88 V HN 0.598 nan 8.190 nan 0.000 0.428 89 K N 3.304 123.596 120.400 -0.181 0.000 2.259 89 K HA 0.621 4.941 4.320 0.000 0.000 0.249 89 K C -0.513 176.020 176.600 -0.111 0.000 0.942 89 K CA -0.951 55.270 56.287 -0.110 0.000 0.816 89 K CB 2.578 35.038 32.500 -0.065 0.000 1.155 89 K HN 0.536 nan 8.250 nan 0.000 0.428 90 R N 0.561 121.014 120.500 -0.078 0.000 2.643 90 R HA -0.010 4.330 4.340 0.000 0.000 0.270 90 R C 1.254 177.531 176.300 -0.039 0.000 1.061 90 R CA 0.373 56.438 56.100 -0.059 0.000 1.107 90 R CB 0.387 30.661 30.300 -0.044 0.000 0.999 90 R HN 0.813 nan 8.270 nan 0.000 0.460 91 T N -1.736 112.803 114.554 -0.025 0.000 3.037 91 T HA 0.139 4.489 4.350 0.000 0.000 0.251 91 T C 1.395 176.092 174.700 -0.005 0.000 1.079 91 T CA 0.427 62.522 62.100 -0.008 0.000 1.067 91 T CB 0.429 69.301 68.868 0.007 0.000 0.948 91 T HN 0.819 nan 8.240 nan 0.000 0.496 92 G N 1.341 110.137 108.800 -0.007 0.000 2.205 92 G HA2 -0.029 3.931 3.960 0.000 0.000 0.261 92 G HA3 -0.029 3.931 3.960 0.000 0.000 0.261 92 G C 0.218 175.119 174.900 0.002 0.000 0.980 92 G CA -0.089 45.008 45.100 -0.004 0.000 0.632 92 G HN 1.335 nan 8.290 nan 0.000 0.533 93 A N 0.854 123.678 122.820 0.008 0.000 2.318 93 A HA 0.744 5.064 4.320 0.000 0.000 0.317 93 A C 0.328 177.926 177.584 0.023 0.000 1.159 93 A CA -0.709 51.336 52.037 0.014 0.000 0.799 93 A CB 0.829 19.837 19.000 0.014 0.000 1.194 93 A HN 0.536 nan 8.150 nan 0.000 0.479 94 I N 2.460 123.043 120.570 0.022 0.000 2.710 94 I HA -0.021 4.149 4.170 0.000 0.000 0.286 94 I C 0.812 176.950 176.117 0.035 0.000 1.181 94 I CA 0.116 61.434 61.300 0.029 0.000 1.430 94 I CB 0.257 38.269 38.000 0.021 0.000 1.367 94 I HN 0.388 nan 8.210 nan 0.000 0.577 95 V N 7.207 127.155 119.914 0.057 0.000 2.717 95 V HA -0.113 4.007 4.120 0.000 0.000 0.302 95 V C 0.313 176.416 176.094 0.015 0.000 1.097 95 V CA 0.575 62.911 62.300 0.059 0.000 1.262 95 V CB -0.723 31.162 31.823 0.104 0.000 0.846 95 V HN 0.963 nan 8.190 nan 0.000 0.485 96 D N 3.888 124.289 120.400 0.002 0.000 2.626 96 D HA 0.729 5.370 4.640 0.000 0.000 0.278 96 D C -0.652 175.633 176.300 -0.025 0.000 1.211 96 D CA -0.537 53.457 54.000 -0.011 0.000 0.903 96 D CB 2.141 42.939 40.800 -0.003 0.000 1.408 96 D HN 0.505 nan 8.370 nan 0.000 0.454 97 V N -5.007 114.891 119.914 -0.026 0.000 3.130 97 V HA 0.776 4.896 4.120 0.000 0.000 0.310 97 V C -2.833 173.239 176.094 -0.038 0.000 1.158 97 V CA -2.231 60.048 62.300 -0.035 0.000 1.029 97 V CB 1.792 33.592 31.823 -0.038 0.000 1.057 97 V HN 0.627 nan 8.190 nan 0.000 0.436 98 P HA 0.389 nan 4.420 nan 0.000 0.270 98 P C -0.846 176.397 177.300 -0.096 0.000 1.223 98 P CA 0.040 63.100 63.100 -0.067 0.000 0.785 98 P CB 1.559 33.223 31.700 -0.061 0.000 0.923 99 V N 0.544 120.360 119.914 -0.162 0.000 3.077 99 V HA 0.759 4.879 4.120 0.000 0.000 0.299 99 V C 0.117 175.883 176.094 -0.547 0.000 1.276 99 V CA 0.427 62.567 62.300 -0.266 0.000 0.993 99 V CB 1.959 33.688 31.823 -0.157 0.000 1.076 99 V HN 1.119 nan 8.190 nan 0.000 0.434 100 G N 3.127 111.334 108.800 -0.989 0.000 2.343 100 G HA2 0.014 3.974 3.960 0.000 0.000 0.465 100 G HA3 0.014 3.974 3.960 0.000 0.000 0.465 100 G C -0.111 174.346 174.900 -0.739 0.000 1.282 100 G CA 0.017 44.272 45.100 -1.410 0.000 0.996 100 G HN 0.670 nan 8.290 nan 0.000 0.521 101 E N 0.269 120.188 120.200 -0.469 0.000 2.427 101 E HA -0.032 4.318 4.350 0.000 0.000 0.196 101 E C 1.997 178.568 176.600 -0.047 0.000 1.028 101 E CA 0.870 57.203 56.400 -0.111 0.000 0.864 101 E CB 0.104 29.801 29.700 -0.005 0.000 0.813 101 E HN 0.578 nan 8.360 nan 0.000 0.514 102 E N 0.695 120.832 120.200 -0.104 0.000 2.338 102 E HA -0.164 4.186 4.350 0.000 0.000 0.197 102 E C 1.833 178.414 176.600 -0.032 0.000 1.007 102 E CA 0.616 56.982 56.400 -0.056 0.000 0.849 102 E CB -0.226 29.431 29.700 -0.073 0.000 0.774 102 E HN 0.356 nan 8.360 nan 0.000 0.506 103 L N 0.660 121.861 121.223 -0.037 0.000 2.313 103 L HA 0.051 4.391 4.340 0.000 0.000 0.214 103 L C 1.275 178.175 176.870 0.049 0.000 1.119 103 L CA 0.105 54.946 54.840 0.002 0.000 0.809 103 L CB -0.226 41.833 42.059 -0.001 0.000 0.933 103 L HN 0.011 nan 8.230 nan 0.000 0.449 104 L N 0.473 121.746 121.223 0.084 0.000 2.540 104 L HA 0.066 4.406 4.340 0.000 0.000 0.276 104 L C 1.421 178.329 176.870 0.063 0.000 1.212 104 L CA 0.747 55.655 54.840 0.113 0.000 0.893 104 L CB 0.018 42.181 42.059 0.173 0.000 1.138 104 L HN 0.380 nan 8.230 nan 0.000 0.491 105 G N 1.983 110.805 108.800 0.036 0.000 2.199 105 G HA2 -0.217 3.743 3.960 0.000 0.000 0.254 105 G HA3 -0.217 3.743 3.960 0.000 0.000 0.254 105 G C 0.313 175.212 174.900 -0.003 0.000 0.982 105 G CA -0.364 44.736 45.100 -0.001 0.000 0.632 105 G HN 0.474 nan 8.290 nan 0.000 0.529 106 R N -0.094 120.413 120.500 0.011 0.000 2.540 106 R HA 0.670 5.011 4.340 0.000 0.000 0.287 106 R C -0.078 176.229 176.300 0.013 0.000 0.980 106 R CA -0.726 55.379 56.100 0.008 0.000 0.966 106 R CB 1.592 31.898 30.300 0.009 0.000 1.106 106 R HN 0.227 nan 8.270 nan 0.000 0.480 107 V N 2.916 122.836 119.914 0.010 0.000 2.370 107 V HA 0.435 4.555 4.120 0.000 0.000 0.283 107 V C 0.304 176.410 176.094 0.019 0.000 1.023 107 V CA -0.783 61.529 62.300 0.019 0.000 0.857 107 V CB 1.414 33.247 31.823 0.016 0.000 0.985 107 V HN 0.593 nan 8.190 nan 0.000 0.443 108 V N 1.114 121.043 119.914 0.024 0.000 3.074 108 V HA 0.828 4.948 4.120 0.000 0.000 0.314 108 V C -0.490 175.616 176.094 0.020 0.000 1.117 108 V CA -0.878 61.432 62.300 0.017 0.000 1.014 108 V CB 2.137 33.965 31.823 0.009 0.000 1.057 108 V HN 0.802 nan 8.190 nan 0.000 0.438 109 D N 1.779 122.188 120.400 0.014 0.000 2.451 109 D HA 0.517 5.157 4.640 0.000 0.000 0.259 109 D C 1.211 177.509 176.300 -0.003 0.000 1.201 109 D CA -0.022 53.987 54.000 0.015 0.000 1.028 109 D CB 1.231 42.043 40.800 0.021 0.000 1.095 109 D HN 0.836 nan 8.370 nan 0.000 0.539 110 A N -0.473 122.340 122.820 -0.011 0.000 2.024 110 A HA -0.093 4.227 4.320 0.000 0.000 0.220 110 A C 2.220 179.746 177.584 -0.098 0.000 1.164 110 A CA 1.107 53.114 52.037 -0.049 0.000 0.643 110 A CB -0.862 18.106 19.000 -0.052 0.000 0.806 110 A HN 0.556 nan 8.150 nan 0.000 0.451 111 L N -1.878 119.294 121.223 -0.086 0.000 2.558 111 L HA 0.229 4.569 4.340 0.000 0.000 0.225 111 L C 1.646 178.485 176.870 -0.052 0.000 1.128 111 L CA 0.561 55.342 54.840 -0.097 0.000 0.868 111 L CB -0.036 41.985 42.059 -0.063 0.000 1.006 111 L HN 0.558 nan 8.230 nan 0.000 0.454 112 G N -0.223 108.557 108.800 -0.033 0.000 2.144 112 G HA2 -0.225 3.735 3.960 0.000 0.000 0.218 112 G HA3 -0.225 3.735 3.960 0.000 0.000 0.218 112 G C -0.067 174.825 174.900 -0.012 0.000 0.988 112 G CA -0.462 44.624 45.100 -0.022 0.000 0.659 112 G HN 0.318 nan 8.290 nan 0.000 0.522 113 N N 1.105 119.803 118.700 -0.004 0.000 2.520 113 N HA 0.529 5.269 4.740 0.000 0.000 0.273 113 N C 0.698 176.211 175.510 0.006 0.000 1.155 113 N CA 0.588 53.640 53.050 0.003 0.000 0.967 113 N CB 1.393 39.888 38.487 0.013 0.000 1.092 113 N HN 0.721 nan 8.380 nan 0.000 0.457 114 A N 1.997 124.819 122.820 0.004 0.000 2.540 114 A HA 0.172 4.492 4.320 0.000 0.000 0.239 114 A C 1.289 178.879 177.584 0.010 0.000 1.061 114 A CA 0.027 52.067 52.037 0.006 0.000 0.758 114 A CB -0.414 18.588 19.000 0.003 0.000 0.991 114 A HN 0.841 nan 8.150 nan 0.000 0.502 115 I N -1.318 119.259 120.570 0.011 0.000 4.310 115 I HA 0.247 4.417 4.170 0.000 0.000 0.328 115 I C 0.180 176.303 176.117 0.010 0.000 1.406 115 I CA 0.036 61.344 61.300 0.014 0.000 1.174 115 I CB 0.505 38.516 38.000 0.019 0.000 1.279 115 I HN 0.448 nan 8.210 nan 0.000 0.471 116 D N 1.254 121.658 120.400 0.007 0.000 2.339 116 D HA 0.171 4.811 4.640 0.000 0.000 0.217 116 D C 1.667 177.967 176.300 0.001 0.000 1.050 116 D CA 0.558 54.559 54.000 0.002 0.000 0.856 116 D CB 0.108 40.907 40.800 -0.001 0.000 0.922 116 D HN 0.438 nan 8.370 nan 0.000 0.518 117 G N 0.869 109.670 108.800 0.003 0.000 2.153 117 G HA2 -0.370 3.590 3.960 0.000 0.000 0.252 117 G HA3 -0.370 3.590 3.960 0.000 0.000 0.252 117 G C 0.674 175.574 174.900 0.000 0.000 0.994 117 G CA 0.391 45.492 45.100 0.002 0.000 0.698 117 G HN 0.459 nan 8.290 nan 0.000 0.521 118 K N 0.332 120.732 120.400 -0.001 0.000 2.493 118 K HA 0.462 4.782 4.320 0.000 0.000 0.207 118 K C 1.422 178.021 176.600 -0.001 0.000 1.033 118 K CA 0.306 56.592 56.287 -0.002 0.000 1.161 118 K CB 0.329 32.827 32.500 -0.003 0.000 0.873 118 K HN 1.365 nan 8.250 nan 0.000 0.491 119 G N 2.375 111.175 108.800 -0.000 0.000 2.725 119 G HA2 -0.212 3.748 3.960 0.000 0.000 0.220 119 G HA3 -0.212 3.748 3.960 0.000 0.000 0.220 119 G C -2.720 172.179 174.900 -0.001 0.000 1.357 119 G CA -1.220 43.880 45.100 -0.000 0.000 0.866 119 G HN 0.067 nan 8.290 nan 0.000 0.548 120 P HA 0.441 nan 4.420 nan 0.000 0.272 120 P C 0.457 177.751 177.300 -0.009 0.000 1.223 120 P CA -0.566 62.530 63.100 -0.005 0.000 0.784 120 P CB 0.374 32.070 31.700 -0.006 0.000 0.923 121 I N 1.330 121.892 120.570 -0.014 0.000 2.556 121 I HA 0.101 4.271 4.170 0.000 0.000 0.284 121 I C 1.532 177.633 176.117 -0.027 0.000 1.114 121 I CA 0.287 61.574 61.300 -0.022 0.000 1.418 121 I CB -0.098 37.885 38.000 -0.029 0.000 1.394 121 I HN 0.497 nan 8.210 nan 0.000 0.552 122 G N 4.403 113.185 108.800 -0.030 0.000 3.709 122 G HA2 0.120 4.080 3.960 0.000 0.000 0.272 122 G HA3 0.120 4.080 3.960 0.000 0.000 0.272 122 G C 0.549 175.420 174.900 -0.048 0.000 1.259 122 G CA -0.208 44.873 45.100 -0.031 0.000 1.512 122 G HN 0.646 nan 8.290 nan 0.000 0.625 123 S N -0.297 115.369 115.700 -0.058 0.000 2.565 123 S HA 0.297 4.767 4.470 0.000 0.000 0.276 123 S C 1.104 175.661 174.600 -0.072 0.000 1.326 123 S CA -0.260 57.889 58.200 -0.085 0.000 1.045 123 S CB 1.424 64.566 63.200 -0.097 0.000 0.918 123 S HN 0.395 nan 8.310 nan 0.000 0.505 124 K N 2.060 122.408 120.400 -0.087 0.000 2.391 124 K HA 0.375 4.695 4.320 0.000 0.000 0.197 124 K C 0.303 176.870 176.600 -0.055 0.000 1.087 124 K CA 0.179 56.431 56.287 -0.059 0.000 1.012 124 K CB 0.824 33.295 32.500 -0.048 0.000 0.925 124 K HN 0.665 nan 8.250 nan 0.000 0.547 125 A N 1.226 123.996 122.820 -0.084 0.000 2.386 125 A HA 0.735 5.055 4.320 0.000 0.000 0.308 125 A C -0.923 176.621 177.584 -0.068 0.000 1.128 125 A CA -0.725 51.276 52.037 -0.059 0.000 0.789 125 A CB 1.256 20.233 19.000 -0.037 0.000 1.325 125 A HN 0.057 nan 8.150 nan 0.000 0.437 126 R N -0.358 120.120 120.500 -0.036 0.000 2.808 126 R HA 0.744 5.084 4.340 0.000 0.000 0.272 126 R C -0.954 175.340 176.300 -0.010 0.000 0.995 126 R CA -0.841 55.241 56.100 -0.031 0.000 0.917 126 R CB 2.636 32.923 30.300 -0.022 0.000 1.217 126 R HN 0.762 nan 8.270 nan 0.000 0.471 127 R N 1.163 121.658 120.500 -0.008 0.000 2.548 127 R HA 0.282 4.622 4.340 0.000 0.000 0.280 127 R C -0.933 175.369 176.300 0.004 0.000 1.061 127 R CA -0.752 55.352 56.100 0.006 0.000 0.915 127 R CB 1.635 31.947 30.300 0.020 0.000 1.210 127 R HN 0.564 nan 8.270 nan 0.000 0.442 128 R N 2.010 122.513 120.500 0.006 0.000 2.583 128 R HA -0.027 4.313 4.340 0.000 0.000 0.274 128 R C 1.469 177.770 176.300 0.001 0.000 0.998 128 R CA 0.362 56.463 56.100 0.002 0.000 1.081 128 R CB 0.585 30.887 30.300 0.003 0.000 0.940 128 R HN 0.553 nan 8.270 nan 0.000 0.413 129 V N 0.644 120.552 119.914 -0.011 0.000 3.041 129 V HA 0.053 4.173 4.120 0.000 0.000 0.260 129 V C 1.224 177.300 176.094 -0.029 0.000 1.105 129 V CA 1.757 64.053 62.300 -0.008 0.000 1.125 129 V CB 0.012 31.815 31.823 -0.033 0.000 0.730 129 V HN 0.866 nan 8.190 nan 0.000 0.479 130 G N 0.177 108.943 108.800 -0.056 0.000 3.575 130 G HA2 0.391 4.351 3.960 0.000 0.000 0.273 130 G HA3 0.391 4.351 3.960 0.000 0.000 0.273 130 G C 0.298 175.176 174.900 -0.036 0.000 1.053 130 G CA -0.496 44.550 45.100 -0.090 0.000 0.803 130 G HN 0.454 nan 8.290 nan 0.000 0.528 131 L N 1.047 122.266 121.223 -0.007 0.000 2.525 131 L HA 0.115 4.455 4.340 0.000 0.000 0.278 131 L C 1.013 177.887 176.870 0.008 0.000 1.218 131 L CA -0.035 54.808 54.840 0.005 0.000 0.878 131 L CB 0.649 42.715 42.059 0.013 0.000 1.127 131 L HN 0.083 nan 8.230 nan 0.000 0.492 132 K N 2.723 123.130 120.400 0.012 0.000 2.448 132 K HA 0.251 4.571 4.320 0.000 0.000 0.278 132 K C 0.111 176.717 176.600 0.009 0.000 1.009 132 K CA -0.431 55.867 56.287 0.018 0.000 0.995 132 K CB 0.756 33.270 32.500 0.024 0.000 0.917 132 K HN 0.692 nan 8.250 nan 0.000 0.481 133 A N 5.564 128.390 122.820 0.010 0.000 2.547 133 A HA 0.149 4.469 4.320 0.000 0.000 0.233 133 A C -2.116 175.456 177.584 -0.020 0.000 1.067 133 A CA -0.900 51.136 52.037 -0.001 0.000 0.763 133 A CB -0.518 18.484 19.000 0.003 0.000 1.007 133 A HN 0.610 nan 8.150 nan 0.000 0.506 134 P HA 0.226 nan 4.420 nan 0.000 0.267 134 P C 0.764 178.016 177.300 -0.081 0.000 1.200 134 P CA 0.634 63.681 63.100 -0.089 0.000 0.772 134 P CB 0.567 32.192 31.700 -0.126 0.000 0.855 135 G N 1.209 109.949 108.800 -0.101 0.000 2.546 135 G HA2 0.127 4.087 3.960 0.000 0.000 0.239 135 G HA3 0.127 4.087 3.960 0.000 0.000 0.239 135 G C 1.027 175.876 174.900 -0.083 0.000 1.476 135 G CA -0.518 44.539 45.100 -0.072 0.000 1.064 135 G HN 0.406 nan 8.290 nan 0.000 0.561 136 I N -0.040 120.494 120.570 -0.060 0.000 2.193 136 I HA -0.089 4.081 4.170 0.000 0.000 0.240 136 I C 2.611 178.689 176.117 -0.065 0.000 1.084 136 I CA 0.552 61.824 61.300 -0.047 0.000 1.365 136 I CB -0.131 37.857 38.000 -0.021 0.000 1.064 136 I HN 0.220 nan 8.210 nan 0.000 0.410 137 I N 1.101 121.627 120.570 -0.073 0.000 2.226 137 I HA -0.165 4.005 4.170 0.000 0.000 0.245 137 I C -0.214 175.832 176.117 -0.118 0.000 1.100 137 I CA 1.829 63.098 61.300 -0.053 0.000 1.374 137 I CB -2.732 35.267 38.000 -0.002 0.000 1.057 137 I HN 0.179 nan 8.210 nan 0.000 0.413 138 P HA -0.063 nan 4.420 nan 0.000 0.230 138 P C 0.461 177.620 177.300 -0.235 0.000 1.158 138 P CA 0.964 63.654 63.100 -0.683 0.000 0.769 138 P CB 0.066 31.100 31.700 -1.111 0.000 0.807 139 R N -0.405 120.017 120.500 -0.129 0.000 2.553 139 R HA 0.700 5.040 4.340 0.000 0.000 0.263 139 R C -0.010 176.289 176.300 -0.002 0.000 1.066 139 R CA -0.721 55.348 56.100 -0.051 0.000 1.135 139 R CB 1.012 31.285 30.300 -0.046 0.000 1.148 139 R HN 0.008 nan 8.270 nan 0.000 0.558 140 I N -0.441 120.137 120.570 0.013 0.000 3.006 140 I HA 0.190 4.360 4.170 0.000 0.000 0.306 140 I C -0.677 175.451 176.117 0.018 0.000 1.250 140 I CA -0.718 60.595 61.300 0.022 0.000 0.996 140 I CB 2.385 40.407 38.000 0.036 0.000 1.261 140 I HN 0.827 nan 8.210 nan 0.000 0.442 141 S N 4.777 120.486 115.700 0.016 0.000 2.552 141 S HA 0.213 4.683 4.470 0.000 0.000 0.289 141 S C 0.150 174.758 174.600 0.013 0.000 1.304 141 S CA -0.597 57.611 58.200 0.013 0.000 1.063 141 S CB 0.736 63.943 63.200 0.011 0.000 0.848 141 S HN 0.763 nan 8.310 nan 0.000 0.499 142 V N 1.899 121.819 119.914 0.010 0.000 2.788 142 V HA 0.323 4.443 4.120 0.000 0.000 0.307 142 V C 0.942 177.034 176.094 -0.004 0.000 1.069 142 V CA 0.345 62.648 62.300 0.005 0.000 1.173 142 V CB 0.030 31.854 31.823 0.001 0.000 0.925 142 V HN 1.184 nan 8.190 nan 0.000 0.492 143 R N 0.945 121.437 120.500 -0.014 0.000 2.435 143 R HA 0.383 4.723 4.340 0.000 0.000 0.276 143 R C -0.158 176.116 176.300 -0.044 0.000 0.866 143 R CA -0.435 55.653 56.100 -0.020 0.000 1.085 143 R CB 0.215 30.510 30.300 -0.008 0.000 1.751 143 R HN 0.709 nan 8.270 nan 0.000 0.463 144 E N 2.654 122.812 120.200 -0.071 0.000 2.183 144 E HA 0.419 4.769 4.350 0.000 0.000 0.271 144 E C -2.739 173.779 176.600 -0.138 0.000 0.919 144 E CA -2.508 53.818 56.400 -0.124 0.000 0.781 144 E CB 2.168 31.751 29.700 -0.195 0.000 1.140 144 E HN -0.055 nan 8.360 nan 0.000 0.402 145 P HA 0.043 nan 4.420 nan 0.000 0.271 145 P C -0.774 176.413 177.300 -0.189 0.000 1.216 145 P CA -0.191 62.828 63.100 -0.135 0.000 0.771 145 P CB 0.474 32.103 31.700 -0.118 0.000 0.864 146 M N 3.694 123.214 119.600 -0.134 0.000 2.103 146 M HA 0.156 4.636 4.480 0.000 0.000 0.350 146 M C -0.671 175.581 176.300 -0.081 0.000 1.100 146 M CA -0.417 54.800 55.300 -0.137 0.000 1.042 146 M CB 0.273 32.817 32.600 -0.093 0.000 1.368 146 M HN 0.325 nan 8.290 nan 0.000 0.404 147 Q N 2.493 122.244 119.800 -0.081 0.000 2.288 147 Q HA 0.196 4.536 4.340 0.000 0.000 0.258 147 Q C 1.219 177.255 176.000 0.060 0.000 0.957 147 Q CA 0.137 55.952 55.803 0.020 0.000 0.919 147 Q CB 1.010 29.815 28.738 0.112 0.000 1.185 147 Q HN 0.764 nan 8.270 nan 0.000 0.408 148 T N -1.659 112.924 114.554 0.047 0.000 3.035 148 T HA 0.145 4.495 4.350 0.000 0.000 0.259 148 T C 1.215 175.948 174.700 0.056 0.000 1.078 148 T CA 0.602 62.731 62.100 0.048 0.000 1.132 148 T CB 0.126 69.013 68.868 0.032 0.000 0.900 148 T HN 0.831 nan 8.240 nan 0.000 0.480 149 G N 1.556 110.389 108.800 0.056 0.000 2.159 149 G HA2 -0.190 3.770 3.960 0.000 0.000 0.256 149 G HA3 -0.190 3.770 3.960 0.000 0.000 0.256 149 G C -0.009 174.907 174.900 0.026 0.000 0.977 149 G CA 0.137 45.262 45.100 0.041 0.000 0.652 149 G HN 0.683 nan 8.290 nan 0.000 0.531 150 I N 0.571 121.157 120.570 0.026 0.000 2.330 150 I HA 0.283 4.453 4.170 0.000 0.000 0.289 150 I C 1.524 177.655 176.117 0.022 0.000 1.001 150 I CA -0.871 60.440 61.300 0.019 0.000 1.193 150 I CB 1.387 39.397 38.000 0.016 0.000 1.345 150 I HN -0.044 nan 8.210 nan 0.000 0.461 151 K N 4.133 124.545 120.400 0.020 0.000 2.044 151 K HA -0.237 4.083 4.320 0.000 0.000 0.210 151 K C 2.102 178.717 176.600 0.025 0.000 1.049 151 K CA 1.997 58.299 56.287 0.025 0.000 0.927 151 K CB -0.150 32.365 32.500 0.025 0.000 0.713 151 K HN 0.812 nan 8.250 nan 0.000 0.443 152 A N 0.896 123.730 122.820 0.023 0.000 1.902 152 A HA -0.132 4.188 4.320 0.000 0.000 0.217 152 A C 2.409 180.010 177.584 0.029 0.000 1.181 152 A CA 1.612 53.665 52.037 0.026 0.000 0.623 152 A CB -0.646 18.369 19.000 0.026 0.000 0.818 152 A HN 0.090 nan 8.150 nan 0.000 0.443 153 V N 0.480 120.410 119.914 0.027 0.000 2.270 153 V HA -0.201 3.919 4.120 0.000 0.000 0.245 153 V C 2.142 178.251 176.094 0.025 0.000 1.043 153 V CA 2.210 64.526 62.300 0.027 0.000 1.014 153 V CB -0.867 30.971 31.823 0.025 0.000 0.645 153 V HN 0.463 nan 8.190 nan 0.000 0.447 154 D N 0.402 120.817 120.400 0.025 0.000 2.178 154 D HA -0.119 4.521 4.640 0.000 0.000 0.201 154 D C 2.415 178.729 176.300 0.023 0.000 0.980 154 D CA 1.746 55.759 54.000 0.023 0.000 0.842 154 D CB -0.148 40.669 40.800 0.028 0.000 0.948 154 D HN 0.609 nan 8.370 nan 0.000 0.472 155 S N -0.476 115.239 115.700 0.026 0.000 2.387 155 S HA 0.032 4.502 4.470 0.000 0.000 0.221 155 S C 2.055 176.671 174.600 0.026 0.000 1.041 155 S CA 0.268 58.484 58.200 0.027 0.000 0.959 155 S CB -0.389 62.829 63.200 0.029 0.000 0.843 155 S HN 0.190 nan 8.310 nan 0.000 0.488 156 L N 0.953 122.192 121.223 0.028 0.000 2.354 156 L HA 0.330 4.670 4.340 0.000 0.000 0.212 156 L C 0.118 177.007 176.870 0.031 0.000 1.091 156 L CA 0.210 55.069 54.840 0.031 0.000 0.828 156 L CB 0.392 42.473 42.059 0.036 0.000 0.973 156 L HN 0.212 nan 8.230 nan 0.000 0.461 157 V N 0.413 120.345 119.914 0.030 0.000 2.562 157 V HA 0.234 4.354 4.120 0.000 0.000 0.274 157 V C -2.385 173.722 176.094 0.022 0.000 1.075 157 V CA -1.290 61.028 62.300 0.029 0.000 1.204 157 V CB 0.040 31.884 31.823 0.036 0.000 1.478 157 V HN 0.012 nan 8.190 nan 0.000 0.622 158 P HA 0.207 nan 4.420 nan 0.000 0.265 158 P C -0.378 176.924 177.300 0.004 0.000 1.193 158 P CA 0.487 63.592 63.100 0.009 0.000 0.765 158 P CB 1.380 33.083 31.700 0.006 0.000 0.823 159 I N 2.030 122.598 120.570 -0.004 0.000 2.404 159 I HA 0.448 4.618 4.170 0.000 0.000 0.293 159 I C 1.109 177.210 176.117 -0.026 0.000 0.992 159 I CA -0.503 60.791 61.300 -0.009 0.000 1.149 159 I CB 1.924 39.919 38.000 -0.007 0.000 1.315 159 I HN 0.320 nan 8.210 nan 0.000 0.446 160 G N 4.658 113.444 108.800 -0.024 0.000 2.434 160 G HA2 0.498 4.458 3.960 0.000 0.000 0.330 160 G HA3 0.498 4.458 3.960 0.000 0.000 0.330 160 G C -0.446 174.432 174.900 -0.038 0.000 1.155 160 G CA -0.812 44.265 45.100 -0.038 0.000 0.917 160 G HN 0.530 nan 8.290 nan 0.000 0.493 161 R N 0.144 120.609 120.500 -0.059 0.000 2.351 161 R HA 0.383 4.723 4.340 0.000 0.000 0.318 161 R C 1.161 177.471 176.300 0.016 0.000 1.055 161 R CA 1.127 57.203 56.100 -0.041 0.000 0.968 161 R CB 0.623 30.857 30.300 -0.110 0.000 0.974 161 R HN 1.063 nan 8.270 nan 0.000 0.439 162 G N 1.936 110.755 108.800 0.031 0.000 2.201 162 G HA2 -0.286 3.674 3.960 0.000 0.000 0.212 162 G HA3 -0.286 3.674 3.960 0.000 0.000 0.212 162 G C 0.181 175.095 174.900 0.023 0.000 0.994 162 G CA -0.059 45.064 45.100 0.038 0.000 0.644 162 G HN 0.590 nan 8.290 nan 0.000 0.508 163 Q N 0.320 120.128 119.800 0.013 0.000 2.417 163 Q HA 0.615 4.955 4.340 0.000 0.000 0.241 163 Q C -0.061 175.947 176.000 0.015 0.000 1.008 163 Q CA -0.305 55.505 55.803 0.012 0.000 0.901 163 Q CB 0.386 29.127 28.738 0.006 0.000 1.259 163 Q HN 0.323 nan 8.270 nan 0.000 0.489 164 R N 2.232 122.743 120.500 0.018 0.000 2.295 164 R HA 0.314 4.654 4.340 0.000 0.000 0.324 164 R C -1.328 174.984 176.300 0.019 0.000 0.968 164 R CA -0.492 55.621 56.100 0.021 0.000 0.837 164 R CB 1.498 31.812 30.300 0.024 0.000 1.133 164 R HN 0.493 nan 8.270 nan 0.000 0.450 165 E N 2.866 123.077 120.200 0.017 0.000 2.220 165 E HA 0.253 4.603 4.350 0.000 0.000 0.256 165 E C -1.440 175.173 176.600 0.022 0.000 0.881 165 E CA -0.911 55.501 56.400 0.020 0.000 0.766 165 E CB 0.884 30.595 29.700 0.018 0.000 1.187 165 E HN 0.376 nan 8.360 nan 0.000 0.419 166 L N 5.436 126.675 121.223 0.027 0.000 2.416 166 L HA 0.421 4.761 4.340 0.000 0.000 0.272 166 L C -0.901 175.993 176.870 0.040 0.000 1.161 166 L CA 0.313 55.170 54.840 0.027 0.000 0.845 166 L CB 0.393 42.469 42.059 0.028 0.000 1.119 166 L HN 0.642 nan 8.230 nan 0.000 0.464 167 I N 6.957 127.547 120.570 0.032 0.000 2.330 167 I HA 0.420 4.590 4.170 0.000 0.000 0.289 167 I C -0.287 175.856 176.117 0.044 0.000 1.001 167 I CA -0.197 61.126 61.300 0.037 0.000 1.193 167 I CB 1.244 39.257 38.000 0.021 0.000 1.345 167 I HN 0.581 nan 8.210 nan 0.000 0.461 168 I N 5.272 125.891 120.570 0.081 0.000 2.647 168 I HA 0.921 5.091 4.170 0.000 0.000 0.295 168 I C -0.377 175.801 176.117 0.102 0.000 1.078 168 I CA -0.003 61.372 61.300 0.124 0.000 1.048 168 I CB 2.053 40.171 38.000 0.198 0.000 1.239 168 I HN 0.704 nan 8.210 nan 0.000 0.421 169 G N 4.754 113.589 108.800 0.059 0.000 2.340 169 G HA2 0.169 4.129 3.960 0.000 0.000 0.298 169 G HA3 0.169 4.129 3.960 0.000 0.000 0.298 169 G C -1.939 172.938 174.900 -0.038 0.000 1.498 169 G CA -0.857 44.195 45.100 -0.079 0.000 0.847 169 G HN 0.535 nan 8.290 nan 0.000 0.594 170 D N 0.350 120.712 120.400 -0.064 0.000 2.364 170 D HA 0.299 4.939 4.640 0.000 0.000 0.236 170 D C 1.414 177.655 176.300 -0.098 0.000 1.221 170 D CA 0.092 54.062 54.000 -0.049 0.000 0.891 170 D CB 0.468 41.236 40.800 -0.054 0.000 1.190 170 D HN 0.705 nan 8.370 nan 0.000 0.449 171 R N 0.740 121.196 120.500 -0.073 0.000 2.697 171 R HA -0.035 4.305 4.340 0.000 0.000 0.265 171 R C -0.131 176.062 176.300 -0.177 0.000 1.009 171 R CA -0.177 55.870 56.100 -0.090 0.000 1.099 171 R CB 0.061 30.332 30.300 -0.049 0.000 0.965 171 R HN 0.226 nan 8.270 nan 0.000 0.428 172 Q N 0.104 119.785 119.800 -0.198 0.000 2.451 172 Q HA -0.153 4.187 4.340 0.000 0.000 0.305 172 Q C 0.049 175.584 176.000 -0.775 0.000 1.345 172 Q CA 1.697 57.300 55.803 -0.334 0.000 0.854 172 Q CB -1.662 26.945 28.738 -0.219 0.000 1.162 172 Q HN 1.004 nan 8.270 nan 0.000 0.440 173 T N -5.258 108.918 114.554 -0.630 0.000 3.044 173 T HA 0.453 4.803 4.350 0.000 0.000 0.260 173 T C 1.133 175.575 174.700 -0.430 0.000 1.019 173 T CA 0.659 62.283 62.100 -0.793 0.000 0.921 173 T CB 1.124 69.746 68.868 -0.410 0.000 1.053 173 T HN 0.818 nan 8.240 nan 0.000 0.533 174 G N 1.875 110.525 108.800 -0.251 0.000 2.138 174 G HA2 -0.228 3.732 3.960 0.000 0.000 0.193 174 G HA3 -0.228 3.732 3.960 0.000 0.000 0.193 174 G C 0.729 175.620 174.900 -0.016 0.000 0.998 174 G CA 0.175 45.270 45.100 -0.008 0.000 0.668 174 G HN 0.496 nan 8.290 nan 0.000 0.516 175 K N -0.332 120.041 120.400 -0.046 0.000 2.001 175 K HA -0.033 4.287 4.320 0.000 0.000 0.208 175 K C 2.502 179.116 176.600 0.023 0.000 1.048 175 K CA 1.764 58.041 56.287 -0.017 0.000 0.932 175 K CB -0.349 32.135 32.500 -0.026 0.000 0.715 175 K HN 0.263 nan 8.250 nan 0.000 0.437 176 T N 1.214 115.793 114.554 0.041 0.000 2.788 176 T HA -0.102 4.248 4.350 0.000 0.000 0.268 176 T C 2.085 176.828 174.700 0.072 0.000 1.044 176 T CA 1.436 63.592 62.100 0.093 0.000 1.139 176 T CB -0.169 68.768 68.868 0.114 0.000 0.867 176 T HN 0.159 nan 8.240 nan 0.000 0.454 177 S N 1.262 116.984 115.700 0.036 0.000 2.370 177 S HA -0.076 4.394 4.470 0.000 0.000 0.226 177 S C 2.025 176.627 174.600 0.004 0.000 1.033 177 S CA 0.772 58.973 58.200 0.001 0.000 1.011 177 S CB -0.371 62.809 63.200 -0.034 0.000 0.852 177 S HN 0.343 nan 8.310 nan 0.000 0.457 178 I N 2.115 122.695 120.570 0.016 0.000 2.118 178 I HA -0.240 3.930 4.170 0.000 0.000 0.241 178 I C 2.732 178.873 176.117 0.040 0.000 1.070 178 I CA 1.638 62.952 61.300 0.022 0.000 1.327 178 I CB -1.804 36.210 38.000 0.023 0.000 1.034 178 I HN 0.267 nan 8.210 nan 0.000 0.405 179 A N 0.808 123.665 122.820 0.061 0.000 1.930 179 A HA -0.144 4.176 4.320 0.000 0.000 0.217 179 A C 2.227 179.864 177.584 0.088 0.000 1.175 179 A CA 1.213 53.304 52.037 0.089 0.000 0.627 179 A CB -0.488 18.601 19.000 0.148 0.000 0.815 179 A HN 0.289 nan 8.150 nan 0.000 0.443 180 I N 0.425 121.037 120.570 0.070 0.000 2.233 180 I HA -0.157 4.013 4.170 0.000 0.000 0.243 180 I C 1.760 177.924 176.117 0.079 0.000 1.093 180 I CA 1.476 62.807 61.300 0.052 0.000 1.380 180 I CB -1.600 36.434 38.000 0.058 0.000 1.067 180 I HN 0.236 nan 8.210 nan 0.000 0.413 181 D N 0.600 121.039 120.400 0.066 0.000 2.144 181 D HA -0.137 4.503 4.640 0.000 0.000 0.199 181 D C 2.188 178.528 176.300 0.067 0.000 0.984 181 D CA 1.416 55.453 54.000 0.063 0.000 0.834 181 D CB -0.148 40.661 40.800 0.015 0.000 0.955 181 D HN 0.237 nan 8.370 nan 0.000 0.465 182 T N 0.400 114.991 114.554 0.063 0.000 2.746 182 T HA -0.088 4.262 4.350 0.000 0.000 0.267 182 T C 2.150 176.905 174.700 0.092 0.000 1.039 182 T CA 0.626 62.766 62.100 0.068 0.000 1.142 182 T CB -0.152 68.748 68.868 0.053 0.000 0.866 182 T HN 0.173 nan 8.240 nan 0.000 0.444 183 I N 0.451 121.083 120.570 0.104 0.000 2.202 183 I HA -0.086 4.085 4.170 0.000 0.000 0.242 183 I C 2.204 178.449 176.117 0.215 0.000 1.091 183 I CA 1.218 62.611 61.300 0.155 0.000 1.368 183 I CB -0.310 37.756 38.000 0.111 0.000 1.058 183 I HN 0.205 nan 8.210 nan 0.000 0.410 184 I N 0.819 121.473 120.570 0.140 0.000 2.361 184 I HA -0.302 3.868 4.170 0.000 0.000 0.251 184 I C 2.179 178.372 176.117 0.126 0.000 1.133 184 I CA 1.251 62.631 61.300 0.132 0.000 1.413 184 I CB -0.565 37.493 38.000 0.097 0.000 1.073 184 I HN 0.315 nan 8.210 nan 0.000 0.424 185 N N 0.750 119.507 118.700 0.096 0.000 2.289 185 N HA -0.201 4.540 4.740 0.000 0.000 0.184 185 N C 1.776 177.294 175.510 0.012 0.000 1.016 185 N CA 1.161 54.240 53.050 0.048 0.000 0.872 185 N CB 0.054 38.588 38.487 0.079 0.000 0.973 185 N HN 0.252 nan 8.380 nan 0.000 0.433 186 Q N 0.170 120.009 119.800 0.064 0.000 2.435 186 Q HA -0.036 4.304 4.340 0.000 0.000 0.207 186 Q C 1.612 177.456 176.000 -0.261 0.000 0.956 186 Q CA 0.424 56.221 55.803 -0.011 0.000 0.917 186 Q CB -0.135 28.493 28.738 -0.184 0.000 0.997 186 Q HN 0.500 nan 8.270 nan 0.000 0.497 187 K N 1.653 121.985 120.400 -0.114 0.000 2.113 187 K HA -0.206 4.114 4.320 0.000 0.000 0.208 187 K C 2.036 178.514 176.600 -0.203 0.000 1.047 187 K CA 1.500 57.755 56.287 -0.053 0.000 0.928 187 K CB 0.060 32.628 32.500 0.113 0.000 0.716 187 K HN 0.244 nan 8.250 nan 0.000 0.446 188 R N -0.465 119.808 120.500 -0.378 0.000 2.105 188 R HA -0.156 4.184 4.340 0.000 0.000 0.239 188 R C 1.960 177.955 176.300 -0.509 0.000 1.135 188 R CA 1.843 57.636 56.100 -0.511 0.000 0.967 188 R CB -0.771 29.098 30.300 -0.719 0.000 0.861 188 R HN 0.183 nan 8.270 nan 0.000 0.442 189 F N 1.528 121.385 119.950 -0.154 0.000 2.219 189 F HA 0.115 4.642 4.527 0.000 0.000 0.294 189 F C 2.017 177.698 175.800 -0.198 0.000 1.086 189 F CA 0.310 58.208 58.000 -0.169 0.000 1.330 189 F CB -0.441 38.438 39.000 -0.200 0.000 1.047 189 F HN -0.060 nan 8.300 nan 0.000 0.495 190 N N 0.195 118.816 118.700 -0.132 0.000 2.289 190 N HA -0.140 4.600 4.740 0.000 0.000 0.184 190 N C 0.840 176.301 175.510 -0.082 0.000 1.016 190 N CA 1.174 54.093 53.050 -0.218 0.000 0.872 190 N CB -0.523 37.654 38.487 -0.516 0.000 0.973 190 N HN 0.218 nan 8.380 nan 0.000 0.433 191 D N -0.181 120.177 120.400 -0.069 0.000 2.336 191 D HA 0.105 4.745 4.640 0.000 0.000 0.229 191 D C 1.097 177.382 176.300 -0.025 0.000 1.061 191 D CA 0.142 54.124 54.000 -0.030 0.000 0.875 191 D CB -0.154 40.623 40.800 -0.037 0.000 0.904 191 D HN 0.177 nan 8.370 nan 0.000 0.525 192 G N -0.506 108.281 108.800 -0.021 0.000 2.606 192 G HA2 0.346 4.306 3.960 0.000 0.000 0.262 192 G HA3 0.346 4.306 3.960 0.000 0.000 0.262 192 G C 0.850 175.759 174.900 0.015 0.000 1.394 192 G CA 0.217 45.316 45.100 -0.001 0.000 1.044 192 G HN 0.150 nan 8.290 nan 0.000 0.553 193 T N -3.274 111.294 114.554 0.022 0.000 3.058 193 T HA 0.120 4.470 4.350 0.000 0.000 0.278 193 T C 0.222 174.944 174.700 0.037 0.000 0.974 193 T CA 0.211 62.330 62.100 0.033 0.000 0.893 193 T CB 0.355 69.241 68.868 0.030 0.000 1.138 193 T HN 0.307 nan 8.240 nan 0.000 0.529 194 D N 2.705 123.124 120.400 0.031 0.000 2.357 194 D HA 0.072 4.712 4.640 0.000 0.000 0.265 194 D C 1.192 177.514 176.300 0.036 0.000 1.334 194 D CA 0.041 54.060 54.000 0.031 0.000 0.984 194 D CB 0.539 41.354 40.800 0.026 0.000 1.077 194 D HN 0.161 nan 8.370 nan 0.000 0.514 195 E N 2.728 122.960 120.200 0.054 0.000 2.338 195 E HA -0.123 4.227 4.350 0.000 0.000 0.197 195 E C 1.170 177.828 176.600 0.097 0.000 1.007 195 E CA 0.622 57.072 56.400 0.084 0.000 0.849 195 E CB 0.279 30.041 29.700 0.104 0.000 0.774 195 E HN 0.582 nan 8.360 nan 0.000 0.506 196 K N 0.108 120.547 120.400 0.065 0.000 2.305 196 K HA 0.034 4.354 4.320 0.000 0.000 0.199 196 K C 1.746 178.313 176.600 -0.056 0.000 1.047 196 K CA 0.446 56.776 56.287 0.072 0.000 0.976 196 K CB 0.292 32.817 32.500 0.043 0.000 0.765 196 K HN -0.101 nan 8.250 nan 0.000 0.474 197 K N 1.090 121.436 120.400 -0.090 0.000 2.393 197 K HA 0.070 4.390 4.320 0.000 0.000 0.193 197 K C 0.188 176.638 176.600 -0.250 0.000 1.026 197 K CA 0.235 56.387 56.287 -0.226 0.000 1.064 197 K CB 0.382 32.802 32.500 -0.135 0.000 0.833 197 K HN 0.109 nan 8.250 nan 0.000 0.521 198 K N 1.245 121.563 120.400 -0.138 0.000 2.319 198 K HA 0.151 4.471 4.320 0.000 0.000 0.265 198 K C -0.329 176.075 176.600 -0.327 0.000 1.000 198 K CA -0.194 55.947 56.287 -0.243 0.000 0.943 198 K CB 0.577 32.922 32.500 -0.258 0.000 0.950 198 K HN -0.145 nan 8.250 nan 0.000 0.485 199 L N 2.727 123.638 121.223 -0.520 0.000 2.528 199 L HA 0.274 4.614 4.340 0.000 0.000 0.267 199 L C -1.772 174.755 176.870 -0.572 0.000 0.961 199 L CA -0.364 54.229 54.840 -0.411 0.000 0.866 199 L CB 0.982 42.882 42.059 -0.265 0.000 1.248 199 L HN 0.452 nan 8.230 nan 0.000 0.404 200 Y N 3.340 123.473 120.300 -0.278 0.000 2.308 200 Y HA 0.532 5.082 4.550 0.000 0.000 0.329 200 Y C 0.395 176.170 175.900 -0.209 0.000 1.111 200 Y CA -0.145 57.753 58.100 -0.337 0.000 1.179 200 Y CB 1.205 39.108 38.460 -0.930 0.000 1.201 200 Y HN 0.522 nan 8.280 nan 0.000 0.483 201 C N 4.502 123.874 119.300 0.120 0.000 2.435 201 C HA 0.714 5.174 4.460 0.000 0.000 0.333 201 C C -0.134 174.913 174.990 0.095 0.000 1.202 201 C CA -1.102 57.980 59.018 0.106 0.000 1.830 201 C CB 0.217 28.067 27.740 0.183 0.000 2.326 201 C HN 0.650 nan 8.230 nan 0.000 0.507 202 I N 2.175 122.782 120.570 0.061 0.000 2.468 202 I HA 0.262 4.432 4.170 0.000 0.000 0.285 202 I C -1.111 175.030 176.117 0.040 0.000 1.039 202 I CA -0.354 60.979 61.300 0.056 0.000 1.074 202 I CB 1.070 39.087 38.000 0.029 0.000 1.228 202 I HN 0.630 nan 8.210 nan 0.000 0.436 203 Y N 7.141 127.413 120.300 -0.047 0.000 2.334 203 Y HA 0.626 5.176 4.550 0.000 0.000 0.336 203 Y C -0.855 175.018 175.900 -0.045 0.000 0.960 203 Y CA -0.749 57.316 58.100 -0.059 0.000 1.164 203 Y CB 1.225 39.667 38.460 -0.031 0.000 1.155 203 Y HN 0.259 nan 8.280 nan 0.000 0.478 204 V N 6.548 126.197 119.914 -0.442 0.000 2.350 204 V HA 0.606 4.726 4.120 0.000 0.000 0.276 204 V C 0.110 175.927 176.094 -0.461 0.000 1.028 204 V CA -0.673 61.452 62.300 -0.292 0.000 0.860 204 V CB 0.702 32.448 31.823 -0.128 0.000 0.990 204 V HN 0.923 nan 8.190 nan 0.000 0.453 205 A N 6.758 129.451 122.820 -0.212 0.000 2.276 205 A HA 0.827 5.147 4.320 0.000 0.000 0.300 205 A C -0.578 176.990 177.584 -0.026 0.000 1.235 205 A CA -0.252 51.733 52.037 -0.087 0.000 0.867 205 A CB -0.005 19.078 19.000 0.139 0.000 1.137 205 A HN 0.757 nan 8.150 nan 0.000 0.527 206 I N 2.180 122.735 120.570 -0.024 0.000 2.411 206 I HA 0.552 4.722 4.170 0.000 0.000 0.284 206 I C 1.080 177.219 176.117 0.038 0.000 1.012 206 I CA 0.529 61.837 61.300 0.013 0.000 1.119 206 I CB 1.722 39.725 38.000 0.004 0.000 1.261 206 I HN 0.986 nan 8.210 nan 0.000 0.448 207 G N 3.597 112.430 108.800 0.054 0.000 2.184 207 G HA2 -0.240 3.720 3.960 0.000 0.000 0.264 207 G HA3 -0.240 3.720 3.960 0.000 0.000 0.264 207 G C 0.359 175.292 174.900 0.055 0.000 0.975 207 G CA -0.168 44.967 45.100 0.059 0.000 0.642 207 G HN 0.583 nan 8.290 nan 0.000 0.536 208 Q N 0.172 120.006 119.800 0.058 0.000 2.535 208 Q HA 0.433 4.773 4.340 0.000 0.000 0.228 208 Q C 0.389 176.423 176.000 0.057 0.000 1.062 208 Q CA 0.013 55.854 55.803 0.063 0.000 0.967 208 Q CB 0.617 29.406 28.738 0.086 0.000 1.273 208 Q HN 0.369 nan 8.270 nan 0.000 0.554 209 K N 0.969 121.400 120.400 0.053 0.000 2.382 209 K HA -0.036 4.284 4.320 0.000 0.000 0.275 209 K C 1.042 177.672 176.600 0.049 0.000 1.009 209 K CA 0.109 56.423 56.287 0.045 0.000 0.970 209 K CB 0.519 33.042 32.500 0.039 0.000 0.934 209 K HN 0.470 nan 8.250 nan 0.000 0.479 210 R N 1.680 122.206 120.500 0.042 0.000 2.148 210 R HA -0.135 4.205 4.340 0.000 0.000 0.227 210 R C 1.510 177.829 176.300 0.033 0.000 1.103 210 R CA 1.889 58.013 56.100 0.041 0.000 0.983 210 R CB 0.020 30.341 30.300 0.035 0.000 0.874 210 R HN 0.764 nan 8.270 nan 0.000 0.451 211 S N -0.932 114.785 115.700 0.028 0.000 2.428 211 S HA -0.072 4.398 4.470 0.000 0.000 0.230 211 S C 1.731 176.343 174.600 0.020 0.000 1.014 211 S CA 1.387 59.599 58.200 0.021 0.000 0.957 211 S CB -0.184 63.028 63.200 0.019 0.000 0.784 211 S HN 0.281 nan 8.310 nan 0.000 0.499 212 T N 2.476 117.048 114.554 0.031 0.000 2.777 212 T HA 0.014 4.364 4.350 0.000 0.000 0.266 212 T C 1.919 176.635 174.700 0.026 0.000 1.040 212 T CA 1.337 63.457 62.100 0.034 0.000 1.141 212 T CB -0.514 68.385 68.868 0.052 0.000 0.868 212 T HN 0.308 nan 8.240 nan 0.000 0.444 213 V N 1.849 121.789 119.914 0.043 0.000 2.358 213 V HA -0.128 3.992 4.120 0.000 0.000 0.246 213 V C 2.937 179.030 176.094 -0.002 0.000 1.047 213 V CA 1.589 63.913 62.300 0.041 0.000 1.035 213 V CB -1.295 30.576 31.823 0.080 0.000 0.658 213 V HN 0.512 nan 8.190 nan 0.000 0.452 214 A N -0.655 122.167 122.820 0.003 0.000 1.908 214 A HA -0.310 4.010 4.320 0.000 0.000 0.218 214 A C 2.204 179.771 177.584 -0.028 0.000 1.181 214 A CA 2.148 54.179 52.037 -0.010 0.000 0.627 214 A CB -0.527 18.472 19.000 -0.002 0.000 0.818 214 A HN 0.598 nan 8.150 nan 0.000 0.445 215 Q N -0.876 118.909 119.800 -0.024 0.000 2.084 215 Q HA -0.085 4.255 4.340 0.000 0.000 0.202 215 Q C 2.145 178.108 176.000 -0.062 0.000 0.978 215 Q CA 1.244 57.026 55.803 -0.035 0.000 0.844 215 Q CB -0.248 28.481 28.738 -0.015 0.000 0.898 215 Q HN 0.631 nan 8.270 nan 0.000 0.426 216 L N 0.434 121.614 121.223 -0.072 0.000 2.042 216 L HA -0.163 4.177 4.340 0.000 0.000 0.210 216 L C 2.047 178.830 176.870 -0.145 0.000 1.076 216 L CA 1.575 56.339 54.840 -0.127 0.000 0.749 216 L CB -0.514 41.429 42.059 -0.192 0.000 0.893 216 L HN 0.157 nan 8.230 nan 0.000 0.432 217 V N 0.265 120.110 119.914 -0.114 0.000 2.427 217 V HA -0.242 3.878 4.120 0.000 0.000 0.248 217 V C 2.718 178.752 176.094 -0.101 0.000 1.051 217 V CA 1.607 63.845 62.300 -0.104 0.000 1.048 217 V CB -0.684 31.100 31.823 -0.065 0.000 0.666 217 V HN 0.436 nan 8.190 nan 0.000 0.456 218 K N 0.687 121.034 120.400 -0.089 0.000 2.057 218 K HA -0.228 4.092 4.320 0.000 0.000 0.207 218 K C 2.351 178.879 176.600 -0.119 0.000 1.049 218 K CA 1.760 57.993 56.287 -0.089 0.000 0.931 218 K CB -0.125 32.331 32.500 -0.073 0.000 0.714 218 K HN 0.316 nan 8.250 nan 0.000 0.440 219 R N 1.132 121.546 120.500 -0.144 0.000 2.092 219 R HA -0.004 4.336 4.340 0.000 0.000 0.231 219 R C 2.284 178.472 176.300 -0.187 0.000 1.119 219 R CA 1.221 57.199 56.100 -0.203 0.000 0.970 219 R CB -0.583 29.577 30.300 -0.232 0.000 0.864 219 R HN 0.224 nan 8.270 nan 0.000 0.440 220 L N -0.379 120.746 121.223 -0.162 0.000 2.141 220 L HA -0.092 4.248 4.340 0.000 0.000 0.209 220 L C 2.057 178.831 176.870 -0.160 0.000 1.094 220 L CA 1.666 56.408 54.840 -0.163 0.000 0.763 220 L CB -0.561 41.392 42.059 -0.177 0.000 0.908 220 L HN 0.279 nan 8.230 nan 0.000 0.437 221 T N -0.887 113.585 114.554 -0.136 0.000 2.701 221 T HA -0.166 4.184 4.350 0.000 0.000 0.263 221 T C 1.435 176.072 174.700 -0.105 0.000 1.040 221 T CA 1.446 63.477 62.100 -0.114 0.000 1.147 221 T CB -0.225 68.589 68.868 -0.090 0.000 0.865 221 T HN 0.296 nan 8.240 nan 0.000 0.426 222 D N 1.656 121.989 120.400 -0.110 0.000 2.123 222 D HA -0.053 4.587 4.640 0.000 0.000 0.196 222 D C 2.124 178.365 176.300 -0.099 0.000 0.992 222 D CA 1.276 55.214 54.000 -0.104 0.000 0.833 222 D CB -0.415 40.310 40.800 -0.125 0.000 0.954 222 D HN 0.434 nan 8.370 nan 0.000 0.455 223 A N 0.203 122.955 122.820 -0.113 0.000 2.206 223 A HA -0.050 4.270 4.320 0.000 0.000 0.211 223 A C 0.569 178.111 177.584 -0.071 0.000 1.158 223 A CA 0.859 52.845 52.037 -0.085 0.000 0.761 223 A CB -0.099 18.853 19.000 -0.080 0.000 0.801 223 A HN 0.124 nan 8.150 nan 0.000 0.473 224 D N -3.264 117.080 120.400 -0.094 0.000 2.800 224 D HA -0.193 4.447 4.640 0.000 0.000 0.232 224 D C 0.678 176.884 176.300 -0.157 0.000 1.137 224 D CA 1.054 54.998 54.000 -0.092 0.000 0.718 224 D CB -1.291 39.485 40.800 -0.039 0.000 1.084 224 D HN 0.510 nan 8.370 nan 0.000 0.432 225 A N -0.772 121.876 122.820 -0.286 0.000 2.197 225 A HA 0.195 4.515 4.320 0.000 0.000 0.210 225 A C 1.870 178.937 177.584 -0.863 0.000 1.180 225 A CA 0.833 52.457 52.037 -0.689 0.000 0.846 225 A CB -0.037 18.752 19.000 -0.351 0.000 0.884 225 A HN 0.288 nan 8.150 nan 0.000 0.487 226 M N 1.249 120.594 119.600 -0.426 0.000 2.374 226 M HA -0.078 4.402 4.480 0.000 0.000 0.264 226 M C 1.958 178.115 176.300 -0.239 0.000 1.067 226 M CA 1.632 56.761 55.300 -0.285 0.000 1.103 226 M CB -0.472 32.028 32.600 -0.167 0.000 1.402 226 M HN 0.512 nan 8.290 nan 0.000 0.444 227 K N -0.276 119.977 120.400 -0.245 0.000 2.209 227 K HA -0.184 4.136 4.320 0.000 0.000 0.204 227 K C 0.616 177.242 176.600 0.042 0.000 1.048 227 K CA 1.736 57.979 56.287 -0.074 0.000 0.940 227 K CB -0.772 31.726 32.500 -0.003 0.000 0.729 227 K HN 0.588 nan 8.250 nan 0.000 0.451 228 Y N 0.106 120.448 120.300 0.070 0.000 2.696 228 Y HA 0.467 5.017 4.550 0.000 0.000 0.260 228 Y C -0.610 175.350 175.900 0.100 0.000 1.165 228 Y CA -1.105 57.071 58.100 0.125 0.000 1.189 228 Y CB -0.002 38.490 38.460 0.053 0.000 1.180 228 Y HN -0.210 nan 8.280 nan 0.000 0.538 229 T N 2.496 117.079 114.554 0.049 0.000 2.861 229 T HA 0.586 4.936 4.350 0.000 0.000 0.287 229 T C -0.523 174.214 174.700 0.062 0.000 1.003 229 T CA -0.438 61.696 62.100 0.057 0.000 0.977 229 T CB 1.910 70.746 68.868 -0.053 0.000 0.996 229 T HN 0.148 nan 8.240 nan 0.000 0.448 230 I N 2.392 123.019 120.570 0.096 0.000 2.336 230 I HA 0.436 4.606 4.170 0.000 0.000 0.292 230 I C -0.374 175.796 176.117 0.089 0.000 0.991 230 I CA -1.005 60.347 61.300 0.087 0.000 1.227 230 I CB 1.498 39.563 38.000 0.108 0.000 1.366 230 I HN 0.246 nan 8.210 nan 0.000 0.466 231 V N 7.381 127.342 119.914 0.078 0.000 2.347 231 V HA 0.289 4.409 4.120 0.000 0.000 0.280 231 V C 0.055 176.200 176.094 0.085 0.000 1.021 231 V CA -0.630 61.739 62.300 0.116 0.000 0.847 231 V CB 1.623 33.507 31.823 0.101 0.000 0.990 231 V HN 0.403 nan 8.190 nan 0.000 0.444 232 V N 4.176 124.136 119.914 0.077 0.000 2.394 232 V HA 0.506 4.626 4.120 0.000 0.000 0.282 232 V C 0.272 176.395 176.094 0.047 0.000 1.031 232 V CA -0.093 62.232 62.300 0.042 0.000 0.881 232 V CB 1.694 33.527 31.823 0.016 0.000 0.982 232 V HN 0.822 nan 8.190 nan 0.000 0.451 233 S N 3.712 119.439 115.700 0.046 0.000 2.659 233 S HA 0.770 5.240 4.470 0.000 0.000 0.312 233 S C -0.354 174.272 174.600 0.044 0.000 1.114 233 S CA -0.207 58.026 58.200 0.055 0.000 1.063 233 S CB 1.039 64.279 63.200 0.066 0.000 0.996 233 S HN 1.073 nan 8.310 nan 0.000 0.478 234 A N 4.190 127.037 122.820 0.045 0.000 2.545 234 A HA 0.648 4.968 4.320 0.000 0.000 0.300 234 A C 0.289 177.908 177.584 0.058 0.000 1.252 234 A CA -0.634 51.434 52.037 0.053 0.000 0.753 234 A CB 0.321 19.355 19.000 0.056 0.000 1.144 234 A HN 0.769 nan 8.150 nan 0.000 0.457 235 T N -1.146 113.443 114.554 0.058 0.000 2.880 235 T HA 0.630 4.980 4.350 0.000 0.000 0.279 235 T C 1.559 176.293 174.700 0.056 0.000 0.990 235 T CA 0.046 62.181 62.100 0.057 0.000 0.938 235 T CB 1.050 69.950 68.868 0.054 0.000 1.206 235 T HN 1.065 nan 8.240 nan 0.000 0.573 236 A N 0.659 123.510 122.820 0.051 0.000 2.024 236 A HA -0.049 4.271 4.320 0.000 0.000 0.220 236 A C 2.338 179.949 177.584 0.044 0.000 1.164 236 A CA 2.001 54.067 52.037 0.048 0.000 0.643 236 A CB -1.306 17.720 19.000 0.042 0.000 0.806 236 A HN 1.063 nan 8.150 nan 0.000 0.451 237 S N -0.948 114.777 115.700 0.042 0.000 2.556 237 S HA 0.119 4.589 4.470 0.000 0.000 0.216 237 S C -0.132 174.494 174.600 0.043 0.000 0.970 237 S CA -0.364 57.859 58.200 0.037 0.000 0.912 237 S CB -0.107 63.112 63.200 0.031 0.000 0.790 237 S HN 0.363 nan 8.310 nan 0.000 0.504 238 D N 2.901 123.333 120.400 0.053 0.000 2.345 238 D HA 0.528 5.168 4.640 0.000 0.000 0.247 238 D C 0.321 176.666 176.300 0.075 0.000 1.108 238 D CA 0.148 54.187 54.000 0.065 0.000 0.894 238 D CB 1.384 42.228 40.800 0.073 0.000 1.203 238 D HN 0.431 nan 8.370 nan 0.000 0.430 239 A N 1.593 124.463 122.820 0.082 0.000 2.483 239 A HA 0.363 4.683 4.320 0.000 0.000 0.238 239 A C 1.463 179.117 177.584 0.116 0.000 1.070 239 A CA 0.367 52.453 52.037 0.081 0.000 0.770 239 A CB 0.295 19.339 19.000 0.073 0.000 1.008 239 A HN 0.636 nan 8.150 nan 0.000 0.497 240 A N 3.416 126.295 122.820 0.099 0.000 1.915 240 A HA -0.144 4.176 4.320 0.000 0.000 0.220 240 A C -0.114 177.601 177.584 0.218 0.000 1.198 240 A CA 2.351 54.467 52.037 0.131 0.000 0.647 240 A CB -1.885 17.165 19.000 0.083 0.000 0.825 240 A HN 0.652 nan 8.150 nan 0.000 0.456 241 P HA -0.137 nan 4.420 nan 0.000 0.217 241 P C 1.376 179.007 177.300 0.552 0.000 1.148 241 P CA 0.926 64.262 63.100 0.394 0.000 0.828 241 P CB -0.131 31.726 31.700 0.262 0.000 0.783 242 L N -1.024 120.424 121.223 0.376 0.000 2.027 242 L HA -0.200 4.140 4.340 0.000 0.000 0.206 242 L C 2.655 179.636 176.870 0.185 0.000 1.074 242 L CA 1.558 56.547 54.840 0.249 0.000 0.745 242 L CB -1.047 41.114 42.059 0.171 0.000 0.898 242 L HN -0.006 nan 8.230 nan 0.000 0.433 243 Q N -0.859 119.056 119.800 0.192 0.000 2.061 243 Q HA -0.285 4.055 4.340 0.000 0.000 0.204 243 Q C 2.158 178.276 176.000 0.197 0.000 0.984 243 Q CA 2.176 58.074 55.803 0.159 0.000 0.846 243 Q CB -0.541 28.287 28.738 0.150 0.000 0.902 243 Q HN 0.510 nan 8.270 nan 0.000 0.421 244 Y N 1.497 121.900 120.300 0.171 0.000 2.151 244 Y HA -0.282 4.268 4.550 -0.000 0.000 0.284 244 Y C 2.009 178.062 175.900 0.255 0.000 1.166 244 Y CA 1.483 59.717 58.100 0.222 0.000 1.163 244 Y CB -0.287 38.351 38.460 0.298 0.000 0.974 244 Y HN 0.126 nan 8.280 nan 0.000 0.511 245 L N 0.852 122.107 121.223 0.053 0.000 2.072 245 L HA 0.073 4.413 4.340 0.000 0.000 0.205 245 L C 2.518 179.367 176.870 -0.036 0.000 1.079 245 L CA 1.911 56.703 54.840 -0.080 0.000 0.752 245 L CB -1.465 40.514 42.059 -0.132 0.000 0.906 245 L HN 0.295 nan 8.230 nan 0.000 0.436 246 A N 0.412 123.210 122.820 -0.036 0.000 1.903 246 A HA -0.176 4.144 4.320 0.000 0.000 0.219 246 A C 0.086 177.630 177.584 -0.067 0.000 1.191 246 A CA 2.233 54.246 52.037 -0.041 0.000 0.638 246 A CB -2.163 16.830 19.000 -0.013 0.000 0.823 246 A HN 0.452 nan 8.150 nan 0.000 0.451 247 P HA -0.162 nan 4.420 nan 0.000 0.215 247 P C 0.900 178.032 177.300 -0.280 0.000 1.153 247 P CA 1.368 64.322 63.100 -0.245 0.000 0.853 247 P CB -0.233 31.038 31.700 -0.716 0.000 0.788 248 Y N -0.532 119.673 120.300 -0.159 0.000 2.200 248 Y HA -0.119 4.431 4.550 0.000 0.000 0.290 248 Y C 2.662 178.516 175.900 -0.077 0.000 1.137 248 Y CA 1.243 59.256 58.100 -0.145 0.000 1.163 248 Y CB -1.319 37.000 38.460 -0.235 0.000 0.988 248 Y HN -0.098 nan 8.280 nan 0.000 0.518 249 S N 0.123 115.855 115.700 0.053 0.000 2.353 249 S HA -0.216 4.254 4.470 0.000 0.000 0.222 249 S C 2.440 177.059 174.600 0.031 0.000 1.035 249 S CA 1.404 59.612 58.200 0.013 0.000 1.025 249 S CB -1.158 62.024 63.200 -0.029 0.000 0.902 249 S HN 0.672 nan 8.310 nan 0.000 0.440 250 G N 0.114 108.936 108.800 0.036 0.000 2.440 250 G HA2 -0.289 3.671 3.960 0.000 0.000 0.218 250 G HA3 -0.289 3.671 3.960 0.000 0.000 0.218 250 G C 1.746 176.692 174.900 0.077 0.000 1.154 250 G CA 1.113 46.242 45.100 0.048 0.000 0.767 250 G HN 0.587 nan 8.290 nan 0.000 0.552 251 C N 0.575 119.945 119.300 0.117 0.000 2.413 251 C HA -0.048 4.412 4.460 0.000 0.000 0.276 251 C C 3.314 178.366 174.990 0.105 0.000 1.236 251 C CA 1.779 60.876 59.018 0.131 0.000 1.735 251 C CB -1.008 26.816 27.740 0.139 0.000 2.031 251 C HN 0.380 nan 8.230 nan 0.000 0.474 252 S N 0.584 116.335 115.700 0.085 0.000 2.370 252 S HA -0.217 4.253 4.470 0.000 0.000 0.226 252 S C 1.712 176.360 174.600 0.080 0.000 1.033 252 S CA 2.184 60.426 58.200 0.070 0.000 1.011 252 S CB -0.420 62.807 63.200 0.045 0.000 0.852 252 S HN 0.668 nan 8.310 nan 0.000 0.457 253 M N 0.917 120.564 119.600 0.079 0.000 2.149 253 M HA -0.072 4.408 4.480 0.000 0.000 0.261 253 M C 2.438 178.874 176.300 0.227 0.000 1.064 253 M CA 1.521 56.879 55.300 0.098 0.000 1.102 253 M CB -0.817 31.837 32.600 0.091 0.000 1.369 253 M HN 0.452 nan 8.290 nan 0.000 0.408 254 G N 0.025 108.961 108.800 0.227 0.000 2.408 254 G HA2 -0.162 3.798 3.960 0.000 0.000 0.217 254 G HA3 -0.162 3.798 3.960 0.000 0.000 0.217 254 G C 1.332 176.400 174.900 0.281 0.000 1.150 254 G CA 0.509 45.792 45.100 0.306 0.000 0.776 254 G HN 0.494 nan 8.290 nan 0.000 0.542 255 E N -0.632 119.666 120.200 0.164 0.000 2.268 255 E HA -0.124 4.226 4.350 0.000 0.000 0.195 255 E C 1.889 178.521 176.600 0.054 0.000 0.995 255 E CA 0.440 56.900 56.400 0.099 0.000 0.836 255 E CB -0.210 29.530 29.700 0.067 0.000 0.763 255 E HN 0.611 nan 8.360 nan 0.000 0.491 256 Y N 0.466 120.713 120.300 -0.089 0.000 2.151 256 Y HA -0.300 4.250 4.550 0.000 0.000 0.284 256 Y C 1.588 177.296 175.900 -0.320 0.000 1.166 256 Y CA 1.743 59.682 58.100 -0.268 0.000 1.163 256 Y CB -0.279 37.903 38.460 -0.463 0.000 0.974 256 Y HN -0.042 nan 8.280 nan 0.000 0.511 257 F N -0.270 119.651 119.950 -0.048 0.000 2.149 257 F HA -0.032 4.495 4.527 0.000 0.000 0.294 257 F C 2.744 178.454 175.800 -0.150 0.000 1.095 257 F CA 1.480 59.401 58.000 -0.131 0.000 1.276 257 F CB -0.776 38.247 39.000 0.039 0.000 1.023 257 F HN -0.158 nan 8.300 nan 0.000 0.480 258 R N 0.745 121.309 120.500 0.106 0.000 2.113 258 R HA -0.219 4.121 4.340 0.000 0.000 0.244 258 R C 1.228 177.499 176.300 -0.047 0.000 1.142 258 R CA 2.367 58.480 56.100 0.020 0.000 0.953 258 R CB -0.484 29.843 30.300 0.046 0.000 0.860 258 R HN 0.189 nan 8.270 nan 0.000 0.438 259 D N -0.388 119.967 120.400 -0.075 0.000 2.349 259 D HA 0.001 4.641 4.640 0.000 0.000 0.215 259 D C 0.218 176.439 176.300 -0.130 0.000 1.016 259 D CA 0.507 54.463 54.000 -0.073 0.000 0.870 259 D CB 0.045 40.812 40.800 -0.055 0.000 0.917 259 D HN 0.210 nan 8.370 nan 0.000 0.524 260 N N 0.116 118.680 118.700 -0.227 0.000 2.453 260 N HA 0.161 4.901 4.740 0.000 0.000 0.270 260 N C 0.832 176.244 175.510 -0.163 0.000 1.195 260 N CA 0.076 52.975 53.050 -0.253 0.000 0.902 260 N CB 1.183 39.377 38.487 -0.488 0.000 1.186 260 N HN 0.069 nan 8.380 nan 0.000 0.510 261 G N 0.955 109.679 108.800 -0.127 0.000 2.168 261 G HA2 -0.318 3.642 3.960 0.000 0.000 0.257 261 G HA3 -0.318 3.642 3.960 0.000 0.000 0.257 261 G C 0.235 175.038 174.900 -0.161 0.000 0.997 261 G CA 0.725 45.755 45.100 -0.116 0.000 0.708 261 G HN 0.360 nan 8.290 nan 0.000 0.520 262 K N -0.873 119.428 120.400 -0.166 0.000 2.312 262 K HA 0.713 5.033 4.320 0.000 0.000 0.236 262 K C -0.510 175.921 176.600 -0.281 0.000 1.079 262 K CA -1.025 55.210 56.287 -0.087 0.000 0.900 262 K CB 1.171 33.821 32.500 0.250 0.000 1.297 262 K HN 0.261 nan 8.250 nan 0.000 0.498 263 H N -0.390 118.793 119.070 0.189 0.000 2.689 263 H HA 0.503 5.059 4.556 0.000 0.000 0.346 263 H C -1.180 174.178 175.328 0.049 0.000 1.037 263 H CA -0.689 55.409 56.048 0.083 0.000 1.234 263 H CB 1.956 31.709 29.762 -0.014 0.000 1.572 263 H HN 0.695 nan 8.280 nan 0.000 0.524 264 A N 2.992 125.894 122.820 0.136 0.000 2.413 264 A HA 0.601 4.921 4.320 0.000 0.000 0.307 264 A C -1.315 176.285 177.584 0.027 0.000 1.087 264 A CA -0.702 51.355 52.037 0.033 0.000 0.750 264 A CB 1.929 20.985 19.000 0.094 0.000 1.296 264 A HN 0.452 nan 8.150 nan 0.000 0.423 265 L N 1.781 122.997 121.223 -0.011 0.000 2.356 265 L HA 0.779 5.119 4.340 0.000 0.000 0.277 265 L C -1.146 175.691 176.870 -0.055 0.000 0.996 265 L CA -0.361 54.463 54.840 -0.027 0.000 0.822 265 L CB 1.235 43.280 42.059 -0.023 0.000 1.256 265 L HN 0.688 nan 8.230 nan 0.000 0.413 266 I N 5.375 125.866 120.570 -0.132 0.000 2.474 266 I HA 0.551 4.721 4.170 0.000 0.000 0.294 266 I C -1.107 174.753 176.117 -0.427 0.000 1.005 266 I CA -0.625 60.499 61.300 -0.293 0.000 1.113 266 I CB 1.498 39.245 38.000 -0.422 0.000 1.289 266 I HN 0.642 nan 8.210 nan 0.000 0.436 267 I N 7.446 127.759 120.570 -0.428 0.000 2.378 267 I HA 0.257 4.427 4.170 0.000 0.000 0.291 267 I C -1.260 174.501 176.117 -0.593 0.000 0.992 267 I CA -0.386 60.673 61.300 -0.402 0.000 1.154 267 I CB 1.278 39.189 38.000 -0.148 0.000 1.315 267 I HN 0.411 nan 8.210 nan 0.000 0.448 268 Y N 4.040 124.205 120.300 -0.225 0.000 2.595 268 Y HA 0.302 4.852 4.550 0.000 0.000 0.336 268 Y C -0.052 175.693 175.900 -0.258 0.000 0.996 268 Y CA -0.682 57.259 58.100 -0.266 0.000 1.260 268 Y CB 0.541 38.849 38.460 -0.254 0.000 1.108 268 Y HN 0.424 nan 8.280 nan 0.000 0.509 269 D N 3.751 124.013 120.400 -0.230 0.000 2.458 269 D HA 0.168 4.808 4.640 0.000 0.000 0.258 269 D C -1.145 175.093 176.300 -0.103 0.000 1.134 269 D CA -0.329 53.559 54.000 -0.186 0.000 0.915 269 D CB 0.191 40.809 40.800 -0.302 0.000 1.028 269 D HN 0.702 nan 8.370 nan 0.000 0.508 270 D N -0.037 120.338 120.400 -0.041 0.000 2.559 270 D HA 0.237 4.877 4.640 0.000 0.000 0.250 270 D C 0.751 177.028 176.300 -0.039 0.000 1.135 270 D CA -0.731 53.248 54.000 -0.035 0.000 0.955 270 D CB 1.051 41.844 40.800 -0.012 0.000 1.442 270 D HN 0.046 nan 8.370 nan 0.000 0.471 271 L N 0.146 121.316 121.223 -0.089 0.000 2.418 271 L HA 0.008 4.348 4.340 0.000 0.000 0.218 271 L C 1.821 178.690 176.870 -0.001 0.000 1.125 271 L CA 0.416 55.156 54.840 -0.167 0.000 0.835 271 L CB -0.307 41.433 42.059 -0.530 0.000 0.953 271 L HN 0.437 nan 8.230 nan 0.000 0.454 272 S N 0.287 116.002 115.700 0.025 0.000 2.368 272 S HA -0.178 4.292 4.470 0.000 0.000 0.225 272 S C 1.928 176.610 174.600 0.137 0.000 1.030 272 S CA 1.359 59.616 58.200 0.095 0.000 0.999 272 S CB -0.050 63.194 63.200 0.073 0.000 0.844 272 S HN 0.397 nan 8.310 nan 0.000 0.459 273 K N 0.907 121.367 120.400 0.099 0.000 2.155 273 K HA -0.015 4.305 4.320 0.000 0.000 0.203 273 K C 2.428 179.111 176.600 0.138 0.000 1.052 273 K CA 0.646 56.998 56.287 0.109 0.000 0.948 273 K CB -0.135 32.410 32.500 0.075 0.000 0.728 273 K HN 0.315 nan 8.250 nan 0.000 0.448 274 Q N 0.823 120.703 119.800 0.132 0.000 2.084 274 Q HA -0.164 4.176 4.340 0.000 0.000 0.202 274 Q C 2.031 178.189 176.000 0.264 0.000 0.978 274 Q CA 1.677 57.584 55.803 0.173 0.000 0.844 274 Q CB -0.067 28.733 28.738 0.102 0.000 0.898 274 Q HN 0.324 nan 8.270 nan 0.000 0.426 275 A N -0.099 122.896 122.820 0.291 0.000 1.930 275 A HA -0.105 4.215 4.320 0.000 0.000 0.217 275 A C 2.230 180.067 177.584 0.422 0.000 1.175 275 A CA 1.295 53.533 52.037 0.335 0.000 0.627 275 A CB -0.605 18.544 19.000 0.248 0.000 0.815 275 A HN 0.285 nan 8.150 nan 0.000 0.443 276 V N -0.158 119.948 119.914 0.320 0.000 2.343 276 V HA -0.267 3.853 4.120 0.000 0.000 0.247 276 V C 3.047 179.224 176.094 0.139 0.000 1.051 276 V CA 1.982 64.396 62.300 0.191 0.000 1.036 276 V CB -1.072 30.834 31.823 0.139 0.000 0.654 276 V HN 0.616 nan 8.190 nan 0.000 0.451 277 A N -1.358 121.570 122.820 0.181 0.000 1.930 277 A HA -0.251 4.069 4.320 0.000 0.000 0.217 277 A C 2.142 179.845 177.584 0.199 0.000 1.175 277 A CA 1.912 54.052 52.037 0.172 0.000 0.627 277 A CB -0.685 18.440 19.000 0.208 0.000 0.815 277 A HN 0.620 nan 8.150 nan 0.000 0.443 278 Y N 0.192 120.574 120.300 0.136 0.000 2.263 278 Y HA -0.094 4.456 4.550 -0.000 0.000 0.292 278 Y C 2.462 178.387 175.900 0.041 0.000 1.130 278 Y CA 1.645 59.800 58.100 0.092 0.000 1.179 278 Y CB -0.341 38.222 38.460 0.171 0.000 0.998 278 Y HN 0.332 nan 8.280 nan 0.000 0.532 279 R N 0.273 120.816 120.500 0.071 0.000 2.091 279 R HA -0.258 4.082 4.340 0.000 0.000 0.238 279 R C 2.445 178.657 176.300 -0.147 0.000 1.136 279 R CA 2.013 58.056 56.100 -0.095 0.000 0.959 279 R CB -0.404 29.757 30.300 -0.232 0.000 0.856 279 R HN 0.532 nan 8.270 nan 0.000 0.437 280 Q N 0.246 119.991 119.800 -0.091 0.000 2.030 280 Q HA -0.233 4.107 4.340 0.000 0.000 0.204 280 Q C 2.077 178.002 176.000 -0.126 0.000 0.986 280 Q CA 2.282 58.033 55.803 -0.087 0.000 0.843 280 Q CB -0.101 28.615 28.738 -0.037 0.000 0.904 280 Q HN 0.427 nan 8.270 nan 0.000 0.420 281 M N -0.088 119.415 119.600 -0.163 0.000 2.117 281 M HA -0.157 4.323 4.480 0.000 0.000 0.262 281 M C 2.341 178.477 176.300 -0.274 0.000 1.065 281 M CA 1.622 56.791 55.300 -0.219 0.000 1.114 281 M CB -0.034 32.397 32.600 -0.282 0.000 1.361 281 M HN 0.120 nan 8.290 nan 0.000 0.408 282 S N 0.711 116.186 115.700 -0.374 0.000 2.368 282 S HA -0.029 4.441 4.470 0.000 0.000 0.224 282 S C 1.887 176.377 174.600 -0.185 0.000 1.029 282 S CA 1.074 59.075 58.200 -0.332 0.000 0.988 282 S CB -0.380 62.585 63.200 -0.393 0.000 0.838 282 S HN 0.384 nan 8.310 nan 0.000 0.462 283 L N 1.078 122.208 121.223 -0.155 0.000 2.093 283 L HA -0.012 4.328 4.340 0.000 0.000 0.208 283 L C 2.169 178.985 176.870 -0.090 0.000 1.085 283 L CA 0.868 55.645 54.840 -0.105 0.000 0.755 283 L CB -0.528 41.472 42.059 -0.098 0.000 0.904 283 L HN 0.282 nan 8.230 nan 0.000 0.435 284 L N -0.483 120.680 121.223 -0.099 0.000 2.131 284 L HA -0.214 4.126 4.340 0.000 0.000 0.210 284 L C 2.247 179.068 176.870 -0.081 0.000 1.092 284 L CA 1.073 55.863 54.840 -0.083 0.000 0.759 284 L CB -0.319 41.690 42.059 -0.083 0.000 0.903 284 L HN 0.312 nan 8.230 nan 0.000 0.435 285 L N -0.526 120.636 121.223 -0.101 0.000 2.610 285 L HA 0.014 4.354 4.340 0.000 0.000 0.232 285 L C 0.758 177.588 176.870 -0.067 0.000 1.149 285 L CA 0.229 55.017 54.840 -0.087 0.000 0.872 285 L CB -0.133 41.861 42.059 -0.109 0.000 0.992 285 L HN 0.273 nan 8.230 nan 0.000 0.447 286 R N -0.365 120.095 120.500 -0.066 0.000 3.656 286 R HA -0.126 4.214 4.340 0.000 0.000 0.297 286 R C -0.316 175.959 176.300 -0.042 0.000 1.166 286 R CA 0.171 56.242 56.100 -0.048 0.000 0.799 286 R CB -1.693 28.585 30.300 -0.037 0.000 1.285 286 R HN 0.250 nan 8.270 nan 0.000 0.477 287 R N 0.978 121.446 120.500 -0.054 0.000 2.594 287 R HA 0.180 4.520 4.340 0.000 0.000 0.272 287 R C -2.079 174.208 176.300 -0.022 0.000 1.074 287 R CA -1.818 54.260 56.100 -0.037 0.000 1.105 287 R CB -0.047 30.222 30.300 -0.052 0.000 1.008 287 R HN -0.063 nan 8.270 nan 0.000 0.472 288 P HA 0.138 nan 4.420 nan 0.000 0.271 288 P C -2.169 175.140 177.300 0.015 0.000 1.233 288 P CA -0.991 62.111 63.100 0.003 0.000 0.764 288 P CB 0.142 31.848 31.700 0.010 0.000 0.825 289 P HA 0.259 nan 4.420 nan 0.000 0.278 289 P C 0.052 177.373 177.300 0.035 0.000 1.238 289 P CA 0.053 63.166 63.100 0.021 0.000 0.794 289 P CB 1.461 33.157 31.700 -0.005 0.000 0.955 290 G N 1.660 110.501 108.800 0.069 0.000 3.356 290 G HA2 0.297 4.257 3.960 0.000 0.000 0.178 290 G HA3 0.297 4.257 3.960 0.000 0.000 0.178 290 G C -0.578 174.336 174.900 0.023 0.000 1.130 290 G CA -0.700 44.424 45.100 0.039 0.000 0.800 290 G HN 0.580 nan 8.290 nan 0.000 0.669 291 R N 0.871 121.326 120.500 -0.074 0.000 2.484 291 R HA 0.167 4.507 4.340 0.000 0.000 0.293 291 R C 0.015 176.381 176.300 0.111 0.000 1.023 291 R CA 0.790 56.794 56.100 -0.159 0.000 1.037 291 R CB -0.231 29.700 30.300 -0.615 0.000 0.951 291 R HN 0.669 nan 8.270 nan 0.000 0.418 292 E N 2.832 123.114 120.200 0.137 0.000 2.660 292 E HA -0.337 4.013 4.350 0.000 0.000 0.260 292 E C 0.282 176.968 176.600 0.143 0.000 1.122 292 E CA 0.529 57.069 56.400 0.234 0.000 0.755 292 E CB -1.160 28.819 29.700 0.464 0.000 1.345 292 E HN 0.905 nan 8.360 nan 0.000 0.421 293 A N -2.379 120.489 122.820 0.081 0.000 2.945 293 A HA -0.308 4.012 4.320 0.000 0.000 0.263 293 A C 0.090 177.658 177.584 -0.027 0.000 1.293 293 A CA 1.825 53.858 52.037 -0.007 0.000 0.944 293 A CB -2.104 16.849 19.000 -0.078 0.000 1.093 293 A HN 0.451 nan 8.150 nan 0.000 0.786 294 Y N 0.404 120.790 120.300 0.142 0.000 2.314 294 Y HA 0.462 5.012 4.550 0.000 0.000 0.334 294 Y C -1.272 174.727 175.900 0.166 0.000 1.266 294 Y CA -1.150 57.058 58.100 0.181 0.000 1.391 294 Y CB 0.425 39.066 38.460 0.301 0.000 1.306 294 Y HN 0.250 nan 8.280 nan 0.000 0.558 295 P HA 0.090 nan 4.420 nan 0.000 0.279 295 P C 0.421 177.891 177.300 0.284 0.000 1.252 295 P CA -0.295 62.935 63.100 0.215 0.000 0.811 295 P CB 1.048 32.830 31.700 0.137 0.000 1.035 296 G N 1.158 110.090 108.800 0.220 0.000 2.586 296 G HA2 -0.194 3.766 3.960 0.000 0.000 0.215 296 G HA3 -0.194 3.766 3.960 0.000 0.000 0.215 296 G C 0.655 175.709 174.900 0.256 0.000 1.128 296 G CA 0.471 45.707 45.100 0.227 0.000 0.774 296 G HN 0.642 nan 8.290 nan 0.000 0.543 297 D N -0.137 120.433 120.400 0.284 0.000 2.388 297 D HA 0.081 4.721 4.640 0.000 0.000 0.221 297 D C 1.730 178.203 176.300 0.288 0.000 1.133 297 D CA -0.374 53.822 54.000 0.326 0.000 0.831 297 D CB 0.093 41.108 40.800 0.358 0.000 0.962 297 D HN 0.094 nan 8.370 nan 0.000 0.502 298 V N -0.081 119.978 119.914 0.242 0.000 2.548 298 V HA -0.087 4.033 4.120 0.000 0.000 0.249 298 V C 1.818 177.829 176.094 -0.139 0.000 1.055 298 V CA 1.110 63.441 62.300 0.053 0.000 1.065 298 V CB -0.707 31.146 31.823 0.049 0.000 0.681 298 V HN 0.217 nan 8.190 nan 0.000 0.462 299 F N 0.217 120.100 119.950 -0.113 0.000 2.075 299 F HA -0.217 4.310 4.527 0.000 0.000 0.297 299 F C 2.191 177.998 175.800 0.012 0.000 1.113 299 F CA 2.409 60.359 58.000 -0.083 0.000 1.218 299 F CB -0.803 38.196 39.000 -0.001 0.000 0.984 299 F HN 0.329 nan 8.300 nan 0.000 0.472 300 Y N 0.874 121.072 120.300 -0.170 0.000 2.207 300 Y HA -0.224 4.326 4.550 0.000 0.000 0.287 300 Y C 2.198 177.946 175.900 -0.253 0.000 1.156 300 Y CA 1.661 59.619 58.100 -0.237 0.000 1.182 300 Y CB -1.004 37.462 38.460 0.010 0.000 0.979 300 Y HN 0.266 nan 8.280 nan 0.000 0.521 301 L N -0.216 120.806 121.223 -0.335 0.000 2.021 301 L HA -0.312 4.028 4.340 0.000 0.000 0.215 301 L C 2.241 178.926 176.870 -0.309 0.000 1.074 301 L CA 2.512 57.096 54.840 -0.427 0.000 0.760 301 L CB -0.725 41.005 42.059 -0.548 0.000 0.889 301 L HN 0.390 nan 8.230 nan 0.000 0.433 302 H N -2.314 116.535 119.070 -0.368 0.000 2.465 302 H HA -0.001 4.555 4.556 0.000 0.000 0.289 302 H C 2.354 177.430 175.328 -0.421 0.000 1.022 302 H CA 0.696 56.509 56.048 -0.392 0.000 1.340 302 H CB 0.160 29.722 29.762 -0.332 0.000 1.437 302 H HN 0.527 nan 8.280 nan 0.000 0.539 303 S N 1.579 117.017 115.700 -0.437 0.000 2.371 303 S HA -0.189 4.281 4.470 0.000 0.000 0.224 303 S C 2.137 176.604 174.600 -0.222 0.000 1.029 303 S CA 0.959 58.894 58.200 -0.442 0.000 0.978 303 S CB -0.166 62.523 63.200 -0.853 0.000 0.833 303 S HN 0.514 nan 8.310 nan 0.000 0.466 304 R N 0.748 121.107 120.500 -0.236 0.000 2.092 304 R HA 0.080 4.420 4.340 0.000 0.000 0.231 304 R C 2.353 178.591 176.300 -0.103 0.000 1.119 304 R CA 1.299 57.309 56.100 -0.151 0.000 0.970 304 R CB -0.840 29.277 30.300 -0.306 0.000 0.864 304 R HN 0.451 nan 8.270 nan 0.000 0.440 305 L N 1.228 122.368 121.223 -0.139 0.000 2.027 305 L HA -0.031 4.309 4.340 0.000 0.000 0.206 305 L C 2.165 178.937 176.870 -0.164 0.000 1.074 305 L CA 1.580 56.304 54.840 -0.193 0.000 0.745 305 L CB -0.223 41.527 42.059 -0.515 0.000 0.898 305 L HN 0.219 nan 8.230 nan 0.000 0.433 306 L N -0.694 120.427 121.223 -0.170 0.000 2.217 306 L HA -0.081 4.259 4.340 0.000 0.000 0.211 306 L C 2.451 179.305 176.870 -0.027 0.000 1.107 306 L CA 0.568 55.359 54.840 -0.081 0.000 0.783 306 L CB -0.618 41.384 42.059 -0.094 0.000 0.919 306 L HN 0.289 nan 8.230 nan 0.000 0.442 307 E N 0.463 120.641 120.200 -0.036 0.000 2.331 307 E HA -0.211 4.139 4.350 0.000 0.000 0.199 307 E C 2.135 178.737 176.600 0.003 0.000 1.008 307 E CA 0.926 57.322 56.400 -0.008 0.000 0.843 307 E CB 0.015 29.714 29.700 -0.002 0.000 0.761 307 E HN 0.516 nan 8.360 nan 0.000 0.507 308 R N 0.349 120.853 120.500 0.007 0.000 2.200 308 R HA 0.105 4.445 4.340 0.000 0.000 0.208 308 R C 0.998 177.320 176.300 0.036 0.000 1.033 308 R CA 0.377 56.491 56.100 0.023 0.000 1.000 308 R CB 0.075 30.395 30.300 0.033 0.000 0.906 308 R HN -0.072 nan 8.270 nan 0.000 0.462 309 A N 1.388 124.236 122.820 0.047 0.000 2.488 309 A HA 0.540 4.860 4.320 0.000 0.000 0.249 309 A C -0.143 177.458 177.584 0.029 0.000 1.083 309 A CA 0.290 52.355 52.037 0.047 0.000 0.768 309 A CB 0.232 19.264 19.000 0.053 0.000 1.017 309 A HN 0.333 nan 8.150 nan 0.000 0.496 310 A N 2.194 125.031 122.820 0.029 0.000 2.590 310 A HA 0.628 4.948 4.320 0.000 0.000 0.294 310 A C -0.854 176.747 177.584 0.028 0.000 1.046 310 A CA -0.724 51.323 52.037 0.018 0.000 0.684 310 A CB 0.934 19.934 19.000 -0.001 0.000 1.279 310 A HN 0.973 nan 8.150 nan 0.000 0.415 311 K N 2.171 122.586 120.400 0.025 0.000 2.293 311 K HA 0.630 4.950 4.320 0.000 0.000 0.267 311 K C -0.517 176.100 176.600 0.028 0.000 1.010 311 K CA -0.340 55.972 56.287 0.042 0.000 0.875 311 K CB 0.444 32.969 32.500 0.042 0.000 1.106 311 K HN 0.603 nan 8.250 nan 0.000 0.450 312 M N 3.298 122.921 119.600 0.039 0.000 2.249 312 M HA 0.207 4.687 4.480 0.000 0.000 0.351 312 M C 0.249 176.600 176.300 0.084 0.000 1.180 312 M CA -0.744 54.584 55.300 0.046 0.000 1.127 312 M CB 0.388 33.027 32.600 0.066 0.000 1.546 312 M HN 0.751 nan 8.290 nan 0.000 0.461 313 N N 1.273 120.043 118.700 0.116 0.000 2.347 313 N HA 0.063 4.803 4.740 0.000 0.000 0.253 313 N C 0.110 175.705 175.510 0.141 0.000 1.274 313 N CA -0.189 52.938 53.050 0.128 0.000 0.941 313 N CB 0.444 39.012 38.487 0.135 0.000 1.200 313 N HN 0.415 nan 8.380 nan 0.000 0.514 314 D N -0.742 119.714 120.400 0.093 0.000 2.218 314 D HA -0.067 4.573 4.640 0.000 0.000 0.204 314 D C 1.475 177.789 176.300 0.023 0.000 0.976 314 D CA 1.439 55.471 54.000 0.054 0.000 0.853 314 D CB -0.525 40.294 40.800 0.032 0.000 0.939 314 D HN 0.716 nan 8.370 nan 0.000 0.481 315 A N -0.683 122.153 122.820 0.028 0.000 2.209 315 A HA -0.044 4.276 4.320 0.000 0.000 0.212 315 A C 1.060 178.412 177.584 -0.386 0.000 1.158 315 A CA 0.487 52.440 52.037 -0.140 0.000 0.742 315 A CB -0.425 18.499 19.000 -0.126 0.000 0.790 315 A HN 0.147 nan 8.150 nan 0.000 0.472 316 F N -1.458 118.483 119.950 -0.015 0.000 2.735 316 F HA 0.422 4.949 4.527 -0.000 0.000 0.304 316 F C 1.585 177.363 175.800 -0.037 0.000 1.119 316 F CA 0.476 58.462 58.000 -0.023 0.000 1.280 316 F CB 0.787 39.776 39.000 -0.018 0.000 0.994 316 F HN 0.291 nan 8.300 nan 0.000 0.520 317 G N -0.286 108.536 108.800 0.037 0.000 2.234 317 G HA2 -0.130 3.830 3.960 0.000 0.000 0.235 317 G HA3 -0.130 3.830 3.960 0.000 0.000 0.235 317 G C 1.298 176.200 174.900 0.005 0.000 0.997 317 G CA -0.052 45.048 45.100 -0.001 0.000 0.623 317 G HN 1.127 nan 8.290 nan 0.000 0.514 318 G N -0.503 108.322 108.800 0.042 0.000 2.162 318 G HA2 0.181 4.141 3.960 0.000 0.000 0.260 318 G HA3 0.181 4.141 3.960 0.000 0.000 0.260 318 G C 1.479 176.380 174.900 0.002 0.000 0.976 318 G CA 1.124 46.253 45.100 0.048 0.000 0.655 318 G HN 2.114 nan 8.290 nan 0.000 0.533 319 G N -0.554 108.183 108.800 -0.104 0.000 2.588 319 G HA2 0.772 4.732 3.960 0.000 0.000 0.281 319 G HA3 0.772 4.732 3.960 0.000 0.000 0.281 319 G C 0.258 175.080 174.900 -0.130 0.000 1.236 319 G CA 0.864 45.761 45.100 -0.338 0.000 0.969 319 G HN 1.845 nan 8.290 nan 0.000 0.504 320 S N -1.787 113.850 115.700 -0.104 0.000 2.570 320 S HA 0.588 5.058 4.470 0.000 0.000 0.270 320 S C -1.608 173.055 174.600 0.105 0.000 1.149 320 S CA -0.790 57.471 58.200 0.102 0.000 0.837 320 S CB 1.876 65.228 63.200 0.253 0.000 1.124 320 S HN 1.130 nan 8.310 nan 0.000 0.465 321 L N 1.737 123.011 121.223 0.085 0.000 2.376 321 L HA 0.739 5.079 4.340 0.000 0.000 0.275 321 L C -0.693 176.208 176.870 0.052 0.000 0.987 321 L CA 0.226 55.112 54.840 0.078 0.000 0.828 321 L CB 1.800 43.907 42.059 0.079 0.000 1.249 321 L HN 0.924 nan 8.230 nan 0.000 0.409 322 T N 4.217 118.791 114.554 0.032 0.000 2.829 322 T HA 0.836 5.186 4.350 0.000 0.000 0.282 322 T C -0.354 174.335 174.700 -0.019 0.000 0.990 322 T CA -0.248 61.857 62.100 0.009 0.000 1.028 322 T CB 1.439 70.304 68.868 -0.005 0.000 0.951 322 T HN 0.804 nan 8.240 nan 0.000 0.460 323 A N 3.251 126.064 122.820 -0.011 0.000 2.330 323 A HA 0.734 5.054 4.320 0.000 0.000 0.313 323 A C -0.573 176.994 177.584 -0.029 0.000 1.124 323 A CA -0.761 51.253 52.037 -0.038 0.000 0.774 323 A CB 0.545 19.593 19.000 0.080 0.000 1.198 323 A HN 0.855 nan 8.150 nan 0.000 0.465 324 L N 4.578 125.753 121.223 -0.081 0.000 2.371 324 L HA 0.344 4.684 4.340 0.000 0.000 0.262 324 L C -2.293 174.563 176.870 -0.023 0.000 1.054 324 L CA -1.772 53.046 54.840 -0.036 0.000 0.924 324 L CB 1.162 43.203 42.059 -0.030 0.000 1.295 324 L HN 0.471 nan 8.230 nan 0.000 0.441 325 P HA 0.156 nan 4.420 nan 0.000 0.275 325 P C -0.492 176.809 177.300 0.002 0.000 1.228 325 P CA -0.177 62.968 63.100 0.076 0.000 0.786 325 P CB 1.991 33.704 31.700 0.022 0.000 0.927 326 V N 4.193 124.098 119.914 -0.015 0.000 2.513 326 V HA 0.425 4.545 4.120 0.000 0.000 0.299 326 V C 0.399 176.474 176.094 -0.032 0.000 1.035 326 V CA -0.584 61.706 62.300 -0.016 0.000 0.889 326 V CB 1.641 33.458 31.823 -0.011 0.000 0.988 326 V HN 0.425 nan 8.190 nan 0.000 0.440 327 I N 3.236 123.800 120.570 -0.009 0.000 2.582 327 I HA 0.432 4.602 4.170 0.000 0.000 0.292 327 I C -0.126 176.008 176.117 0.028 0.000 1.066 327 I CA -0.393 60.907 61.300 0.000 0.000 1.053 327 I CB 2.174 40.175 38.000 0.001 0.000 1.241 327 I HN 0.771 nan 8.210 nan 0.000 0.421 328 E N 4.887 125.106 120.200 0.033 0.000 2.134 328 E HA 0.364 4.714 4.350 0.000 0.000 0.278 328 E C -0.495 176.141 176.600 0.060 0.000 0.959 328 E CA -0.391 56.032 56.400 0.038 0.000 0.783 328 E CB 1.158 30.878 29.700 0.032 0.000 1.095 328 E HN 0.692 nan 8.360 nan 0.000 0.399 329 T N 2.045 116.646 114.554 0.077 0.000 2.874 329 T HA 0.260 4.610 4.350 0.000 0.000 0.281 329 T C 0.074 174.821 174.700 0.078 0.000 0.994 329 T CA -0.980 61.179 62.100 0.098 0.000 1.015 329 T CB 1.378 70.344 68.868 0.163 0.000 1.028 329 T HN 0.334 nan 8.240 nan 0.000 0.523 330 Q N 0.693 120.541 119.800 0.080 0.000 2.340 330 Q HA 0.513 4.853 4.340 0.000 0.000 0.259 330 Q C 0.568 176.608 176.000 0.067 0.000 0.964 330 Q CA -0.039 55.803 55.803 0.065 0.000 0.900 330 Q CB 0.981 29.759 28.738 0.066 0.000 1.228 330 Q HN 1.183 nan 8.270 nan 0.000 0.449 331 A N 2.550 125.404 122.820 0.057 0.000 2.704 331 A HA -0.156 4.164 4.320 0.000 0.000 0.299 331 A C 1.136 178.774 177.584 0.089 0.000 1.507 331 A CA 1.368 53.440 52.037 0.058 0.000 0.776 331 A CB -2.107 16.919 19.000 0.043 0.000 1.027 331 A HN 1.515 nan 8.150 nan 0.000 0.475 332 G N -1.196 107.686 108.800 0.136 0.000 2.153 332 G HA2 -0.199 3.761 3.960 0.000 0.000 0.252 332 G HA3 -0.199 3.761 3.960 0.000 0.000 0.252 332 G C -0.069 174.911 174.900 0.133 0.000 0.994 332 G CA 0.970 46.206 45.100 0.226 0.000 0.698 332 G HN 1.625 nan 8.290 nan 0.000 0.521 333 D N 0.667 121.123 120.400 0.093 0.000 2.483 333 D HA 0.397 5.037 4.640 0.000 0.000 0.220 333 D C 1.845 178.163 176.300 0.030 0.000 1.173 333 D CA 0.226 54.254 54.000 0.047 0.000 0.964 333 D CB 0.567 41.398 40.800 0.052 0.000 1.046 333 D HN 0.567 nan 8.370 nan 0.000 0.517 334 V N 1.133 121.027 119.914 -0.034 0.000 3.217 334 V HA -0.019 4.101 4.120 0.000 0.000 0.264 334 V C 1.556 177.634 176.094 -0.027 0.000 1.135 334 V CA 0.808 63.072 62.300 -0.062 0.000 1.142 334 V CB -0.268 31.425 31.823 -0.215 0.000 0.754 334 V HN 0.283 nan 8.190 nan 0.000 0.484 335 S N 0.864 116.557 115.700 -0.012 0.000 2.562 335 S HA 0.469 4.939 4.470 0.000 0.000 0.221 335 S C 1.305 175.932 174.600 0.045 0.000 0.975 335 S CA 0.455 58.660 58.200 0.009 0.000 0.918 335 S CB -0.249 62.953 63.200 0.002 0.000 0.772 335 S HN 0.916 nan 8.310 nan 0.000 0.531 336 A N 0.608 123.463 122.820 0.058 0.000 2.429 336 A HA 0.295 4.615 4.320 0.000 0.000 0.242 336 A C 0.834 178.503 177.584 0.143 0.000 1.088 336 A CA -0.175 51.920 52.037 0.098 0.000 0.784 336 A CB -0.185 18.873 19.000 0.097 0.000 1.038 336 A HN 0.475 nan 8.150 nan 0.000 0.501 337 Y N 0.394 120.694 120.300 -0.000 0.000 2.097 337 Y HA -0.228 4.322 4.550 -0.000 0.000 0.282 337 Y C 1.798 177.666 175.900 -0.053 0.000 1.152 337 Y CA 1.850 59.934 58.100 -0.027 0.000 1.136 337 Y CB 0.005 38.444 38.460 -0.036 0.000 0.975 337 Y HN 0.527 nan 8.280 nan 0.000 0.498 338 I N 0.343 120.818 120.570 -0.158 0.000 2.233 338 I HA -0.127 4.043 4.170 0.000 0.000 0.243 338 I C -0.645 175.428 176.117 -0.073 0.000 1.093 338 I CA 0.937 62.080 61.300 -0.260 0.000 1.380 338 I CB -2.742 35.085 38.000 -0.288 0.000 1.067 338 I HN 0.189 nan 8.210 nan 0.000 0.413 339 P HA -0.160 nan 4.420 nan 0.000 0.215 339 P C 1.861 179.174 177.300 0.023 0.000 1.157 339 P CA 2.518 65.629 63.100 0.018 0.000 0.874 339 P CB -0.270 31.451 31.700 0.035 0.000 0.790 340 T N -3.352 111.222 114.554 0.033 0.000 2.746 340 T HA -0.168 4.182 4.350 0.000 0.000 0.267 340 T C 1.743 176.482 174.700 0.066 0.000 1.039 340 T CA 1.413 63.541 62.100 0.046 0.000 1.142 340 T CB -1.326 67.579 68.868 0.063 0.000 0.866 340 T HN -0.047 nan 8.240 nan 0.000 0.444 341 N N 1.557 120.293 118.700 0.060 0.000 2.037 341 N HA -0.105 4.635 4.740 0.000 0.000 0.196 341 N C 1.992 177.618 175.510 0.194 0.000 1.034 341 N CA 1.611 54.756 53.050 0.159 0.000 0.861 341 N CB -1.003 37.519 38.487 0.057 0.000 1.039 341 N HN 0.381 nan 8.380 nan 0.000 0.427 342 V N 1.408 121.378 119.914 0.093 0.000 2.379 342 V HA -0.120 4.000 4.120 0.000 0.000 0.245 342 V C 2.282 178.405 176.094 0.048 0.000 1.044 342 V CA 1.026 63.352 62.300 0.044 0.000 1.036 342 V CB -0.475 31.328 31.823 -0.034 0.000 0.664 342 V HN 0.224 nan 8.190 nan 0.000 0.453 343 I N 1.562 122.160 120.570 0.046 0.000 2.194 343 I HA -0.281 3.889 4.170 0.000 0.000 0.246 343 I C 2.500 178.655 176.117 0.064 0.000 1.093 343 I CA 2.071 63.397 61.300 0.043 0.000 1.355 343 I CB -0.493 37.523 38.000 0.027 0.000 1.046 343 I HN 0.492 nan 8.210 nan 0.000 0.413 344 S N -0.120 115.639 115.700 0.098 0.000 2.603 344 S HA 0.068 4.538 4.470 0.000 0.000 0.229 344 S C 1.537 176.251 174.600 0.189 0.000 0.972 344 S CA 0.484 58.760 58.200 0.128 0.000 0.935 344 S CB -0.375 62.896 63.200 0.120 0.000 0.769 344 S HN 0.480 nan 8.310 nan 0.000 0.536 345 I N 1.102 121.763 120.570 0.151 0.000 3.443 345 I HA 0.080 4.250 4.170 0.000 0.000 0.277 345 I C 1.373 177.522 176.117 0.054 0.000 1.169 345 I CA 0.530 61.895 61.300 0.108 0.000 1.419 345 I CB -0.101 37.917 38.000 0.031 0.000 1.331 345 I HN 0.329 nan 8.210 nan 0.000 0.458 346 T N -1.602 112.975 114.554 0.038 0.000 2.732 346 T HA 0.128 4.478 4.350 0.000 0.000 0.287 346 T C 0.140 174.859 174.700 0.031 0.000 0.993 346 T CA -0.416 61.699 62.100 0.026 0.000 0.966 346 T CB 0.657 69.536 68.868 0.018 0.000 1.047 346 T HN -0.001 nan 8.240 nan 0.000 0.527 347 D N 0.799 121.214 120.400 0.026 0.000 3.071 347 D HA 0.455 5.095 4.640 0.000 0.000 0.259 347 D C 0.899 177.214 176.300 0.025 0.000 1.331 347 D CA 0.251 54.266 54.000 0.025 0.000 0.861 347 D CB -0.314 40.499 40.800 0.021 0.000 1.059 347 D HN 1.028 nan 8.370 nan 0.000 0.486 348 G N 1.013 109.830 108.800 0.028 0.000 2.423 348 G HA2 0.060 4.020 3.960 0.000 0.000 0.684 348 G HA3 0.060 4.020 3.960 0.000 0.000 0.684 348 G C -1.479 173.443 174.900 0.037 0.000 1.309 348 G CA -1.070 44.048 45.100 0.031 0.000 0.950 348 G HN 0.152 nan 8.290 nan 0.000 0.587 349 Q N -1.322 118.507 119.800 0.047 0.000 2.416 349 Q HA 0.757 5.097 4.340 0.000 0.000 0.281 349 Q C -0.595 175.456 176.000 0.086 0.000 1.067 349 Q CA -0.672 55.170 55.803 0.066 0.000 0.809 349 Q CB 2.142 30.928 28.738 0.080 0.000 1.418 349 Q HN 0.736 nan 8.270 nan 0.000 0.411 350 I N 1.833 122.459 120.570 0.093 0.000 2.328 350 I HA 0.376 4.546 4.170 0.000 0.000 0.287 350 I C -1.036 175.176 176.117 0.157 0.000 1.012 350 I CA -0.625 60.736 61.300 0.103 0.000 1.195 350 I CB 0.559 38.596 38.000 0.060 0.000 1.350 350 I HN 0.500 nan 8.210 nan 0.000 0.464 351 F N 8.034 127.998 119.950 0.024 0.000 2.410 351 F HA 0.575 5.102 4.527 0.000 0.000 0.349 351 F C -0.843 174.977 175.800 0.032 0.000 1.117 351 F CA -0.684 57.331 58.000 0.024 0.000 1.104 351 F CB 0.710 39.725 39.000 0.025 0.000 1.122 351 F HN 0.185 nan 8.300 nan 0.000 0.483 352 L N 6.182 126.997 121.223 -0.680 0.000 2.296 352 L HA 0.450 4.790 4.340 0.000 0.000 0.286 352 L C -0.427 175.930 176.870 -0.854 0.000 1.023 352 L CA -0.723 53.784 54.840 -0.556 0.000 0.812 352 L CB 1.543 43.443 42.059 -0.266 0.000 1.223 352 L HN 0.539 nan 8.230 nan 0.000 0.421 353 E N 1.686 121.592 120.200 -0.490 0.000 2.156 353 E HA 0.179 4.529 4.350 0.000 0.000 0.279 353 E C 0.337 176.895 176.600 -0.070 0.000 0.965 353 E CA -0.391 55.833 56.400 -0.292 0.000 0.789 353 E CB 2.025 31.693 29.700 -0.054 0.000 1.098 353 E HN 0.566 nan 8.360 nan 0.000 0.397 354 T N 2.419 116.942 114.554 -0.052 0.000 2.653 354 T HA -0.284 4.066 4.350 0.000 0.000 0.268 354 T C 1.625 176.424 174.700 0.166 0.000 1.035 354 T CA 1.874 63.999 62.100 0.042 0.000 1.154 354 T CB -0.056 68.815 68.868 0.006 0.000 0.862 354 T HN 0.599 nan 8.240 nan 0.000 0.441 355 E N 0.536 120.817 120.200 0.136 0.000 2.070 355 E HA -0.154 4.196 4.350 0.000 0.000 0.197 355 E C 2.174 178.890 176.600 0.194 0.000 1.004 355 E CA 1.164 57.672 56.400 0.179 0.000 0.805 355 E CB -0.255 29.526 29.700 0.135 0.000 0.744 355 E HN 0.473 nan 8.360 nan 0.000 0.451 356 L N -0.155 121.155 121.223 0.145 0.000 2.093 356 L HA -0.128 4.212 4.340 0.000 0.000 0.208 356 L C 2.497 179.448 176.870 0.136 0.000 1.085 356 L CA 1.015 55.925 54.840 0.117 0.000 0.755 356 L CB -0.489 41.623 42.059 0.087 0.000 0.904 356 L HN 0.230 nan 8.230 nan 0.000 0.435 357 F N -0.160 119.811 119.950 0.035 0.000 2.113 357 F HA -0.306 4.221 4.527 0.000 0.000 0.297 357 F C 2.637 178.490 175.800 0.088 0.000 1.103 357 F CA 1.442 59.464 58.000 0.036 0.000 1.248 357 F CB -0.389 38.622 39.000 0.018 0.000 0.999 357 F HN -0.023 nan 8.300 nan 0.000 0.475 358 Y N 1.689 122.106 120.300 0.194 0.000 2.114 358 Y HA -0.249 4.301 4.550 0.000 0.000 0.282 358 Y C 2.185 178.071 175.900 -0.022 0.000 1.165 358 Y CA 2.064 60.214 58.100 0.082 0.000 1.148 358 Y CB -0.766 37.761 38.460 0.112 0.000 0.972 358 Y HN 0.040 nan 8.280 nan 0.000 0.504 359 K N -0.499 119.839 120.400 -0.103 0.000 2.515 359 K HA 0.042 4.362 4.320 0.000 0.000 0.196 359 K C 1.324 177.811 176.600 -0.187 0.000 1.038 359 K CA 0.714 56.883 56.287 -0.197 0.000 0.967 359 K CB -0.473 31.991 32.500 -0.060 0.000 0.780 359 K HN 0.610 nan 8.250 nan 0.000 0.483 360 G N 1.558 110.233 108.800 -0.208 0.000 2.159 360 G HA2 -0.261 3.699 3.960 0.000 0.000 0.256 360 G HA3 -0.261 3.699 3.960 0.000 0.000 0.256 360 G C 0.143 174.954 174.900 -0.148 0.000 0.977 360 G CA -0.254 44.713 45.100 -0.221 0.000 0.652 360 G HN 0.268 nan 8.290 nan 0.000 0.531 361 I N 1.462 121.977 120.570 -0.091 0.000 2.389 361 I HA 0.324 4.494 4.170 0.000 0.000 0.295 361 I C 0.810 176.905 176.117 -0.037 0.000 1.117 361 I CA 0.198 61.473 61.300 -0.041 0.000 1.317 361 I CB 0.259 38.262 38.000 0.005 0.000 1.431 361 I HN 0.069 nan 8.210 nan 0.000 0.521 362 R N 7.593 128.062 120.500 -0.052 0.000 2.574 362 R HA 0.396 4.736 4.340 0.000 0.000 0.288 362 R C -2.641 173.648 176.300 -0.017 0.000 1.004 362 R CA -1.818 54.263 56.100 -0.033 0.000 0.895 362 R CB 2.117 32.352 30.300 -0.108 0.000 1.191 362 R HN 0.247 nan 8.270 nan 0.000 0.444 363 P HA -0.028 nan 4.420 nan 0.000 0.264 363 P C -0.318 177.010 177.300 0.047 0.000 1.193 363 P CA 0.053 63.174 63.100 0.036 0.000 0.763 363 P CB 0.848 32.562 31.700 0.023 0.000 0.810 364 A N 5.011 127.882 122.820 0.086 0.000 2.958 364 A HA 0.156 4.476 4.320 0.000 0.000 0.247 364 A C 0.746 178.340 177.584 0.016 0.000 1.679 364 A CA -0.347 51.736 52.037 0.078 0.000 1.345 364 A CB -1.445 17.657 19.000 0.169 0.000 1.013 364 A HN 0.508 nan 8.150 nan 0.000 0.641 365 I N 1.383 121.968 120.570 0.025 0.000 2.452 365 I HA 0.008 4.178 4.170 0.000 0.000 0.287 365 I C 0.604 176.757 176.117 0.060 0.000 1.079 365 I CA -0.288 61.028 61.300 0.028 0.000 1.387 365 I CB 0.520 38.545 38.000 0.042 0.000 1.404 365 I HN 0.378 nan 8.210 nan 0.000 0.522 366 N N 6.665 125.419 118.700 0.089 0.000 2.402 366 N HA 0.054 4.794 4.740 0.000 0.000 0.252 366 N C 0.738 176.343 175.510 0.159 0.000 1.118 366 N CA 0.045 53.195 53.050 0.167 0.000 0.945 366 N CB 1.388 40.075 38.487 0.334 0.000 1.147 366 N HN 0.411 nan 8.380 nan 0.000 0.495 367 V N 4.007 123.992 119.914 0.118 0.000 2.307 367 V HA -0.129 3.991 4.120 0.000 0.000 0.245 367 V C 2.377 178.524 176.094 0.088 0.000 1.045 367 V CA 2.192 64.550 62.300 0.095 0.000 1.024 367 V CB -0.897 30.977 31.823 0.085 0.000 0.651 367 V HN 0.770 nan 8.190 nan 0.000 0.449 368 G N -0.376 108.475 108.800 0.085 0.000 2.450 368 G HA2 -0.193 3.767 3.960 0.000 0.000 0.220 368 G HA3 -0.193 3.767 3.960 0.000 0.000 0.220 368 G C 1.459 176.392 174.900 0.056 0.000 1.130 368 G CA 0.701 45.838 45.100 0.062 0.000 0.760 368 G HN 0.492 nan 8.290 nan 0.000 0.557 369 L N 0.760 122.034 121.223 0.084 0.000 2.592 369 L HA 0.204 4.544 4.340 0.000 0.000 0.227 369 L C 0.537 177.452 176.870 0.075 0.000 1.127 369 L CA -0.172 54.697 54.840 0.049 0.000 0.884 369 L CB 0.186 42.254 42.059 0.016 0.000 1.065 369 L HN 0.044 nan 8.230 nan 0.000 0.457 370 S N -0.015 115.746 115.700 0.102 0.000 2.565 370 S HA 0.688 5.158 4.470 0.000 0.000 0.290 370 S C -0.293 174.343 174.600 0.061 0.000 1.150 370 S CA -0.547 57.711 58.200 0.097 0.000 1.058 370 S CB 2.313 65.578 63.200 0.109 0.000 1.032 370 S HN -0.006 nan 8.310 nan 0.000 0.510 371 V N -0.097 119.848 119.914 0.052 0.000 3.120 371 V HA 0.741 4.861 4.120 0.000 0.000 0.303 371 V C -0.580 175.535 176.094 0.035 0.000 1.238 371 V CA -0.889 61.433 62.300 0.038 0.000 1.008 371 V CB 1.774 33.614 31.823 0.029 0.000 1.064 371 V HN 0.711 nan 8.190 nan 0.000 0.434 372 S N 0.926 116.643 115.700 0.028 0.000 2.530 372 S HA 0.483 4.953 4.470 0.000 0.000 0.322 372 S C 0.753 175.365 174.600 0.020 0.000 1.085 372 S CA -0.719 57.495 58.200 0.023 0.000 1.096 372 S CB 1.214 64.425 63.200 0.020 0.000 0.988 372 S HN 0.766 nan 8.310 nan 0.000 0.466 373 R N 2.569 123.081 120.500 0.019 0.000 2.189 373 R HA 0.022 4.362 4.340 0.000 0.000 0.218 373 R C 1.402 177.711 176.300 0.014 0.000 1.074 373 R CA 1.459 57.569 56.100 0.017 0.000 0.991 373 R CB -0.091 30.220 30.300 0.019 0.000 0.883 373 R HN 0.630 nan 8.270 nan 0.000 0.457 374 V N -5.495 114.426 119.914 0.013 0.000 3.382 374 V HA 0.381 4.501 4.120 0.000 0.000 0.296 374 V C 1.451 177.548 176.094 0.006 0.000 1.529 374 V CA 0.507 62.813 62.300 0.010 0.000 1.048 374 V CB 0.674 32.503 31.823 0.010 0.000 0.878 374 V HN 0.126 nan 8.190 nan 0.000 0.442 375 G N 0.749 109.552 108.800 0.006 0.000 2.448 375 G HA2 -0.182 3.778 3.960 0.000 0.000 0.218 375 G HA3 -0.182 3.778 3.960 0.000 0.000 0.218 375 G C 1.569 176.469 174.900 -0.000 0.000 1.135 375 G CA 1.240 46.341 45.100 0.001 0.000 0.784 375 G HN 0.580 nan 8.290 nan 0.000 0.543 376 S N 1.175 116.878 115.700 0.005 0.000 2.365 376 S HA -0.103 4.367 4.470 0.000 0.000 0.225 376 S C 2.648 177.249 174.600 0.001 0.000 1.039 376 S CA 1.825 60.028 58.200 0.005 0.000 1.033 376 S CB -0.481 62.724 63.200 0.008 0.000 0.887 376 S HN 0.556 nan 8.310 nan 0.000 0.447 377 A N 0.130 122.951 122.820 0.001 0.000 2.178 377 A HA 0.402 4.722 4.320 0.000 0.000 0.218 377 A C 1.788 179.367 177.584 -0.009 0.000 1.157 377 A CA 1.404 53.440 52.037 -0.002 0.000 0.689 377 A CB -0.655 18.345 19.000 0.000 0.000 0.787 377 A HN 0.852 nan 8.150 nan 0.000 0.465 378 A N -1.176 121.636 122.820 -0.013 0.000 2.594 378 A HA 0.400 4.720 4.320 0.000 0.000 0.287 378 A C 0.461 178.028 177.584 -0.028 0.000 1.227 378 A CA -0.198 51.823 52.037 -0.027 0.000 0.952 378 A CB -0.102 18.877 19.000 -0.035 0.000 1.161 378 A HN 0.505 nan 8.150 nan 0.000 0.524 379 Q N 1.438 121.229 119.800 -0.015 0.000 2.241 379 Q HA 0.408 4.748 4.340 0.000 0.000 0.254 379 Q C 0.080 176.075 176.000 -0.008 0.000 0.917 379 Q CA -0.394 55.404 55.803 -0.010 0.000 0.919 379 Q CB 1.018 29.756 28.738 0.001 0.000 1.237 379 Q HN 0.483 nan 8.270 nan 0.000 0.434 380 T N 0.935 115.485 114.554 -0.007 0.000 2.946 380 T HA 0.012 4.362 4.350 0.000 0.000 0.311 380 T C 0.950 175.654 174.700 0.007 0.000 1.063 380 T CA -0.442 61.657 62.100 -0.002 0.000 1.139 380 T CB 0.969 69.839 68.868 0.002 0.000 0.994 380 T HN 0.777 nan 8.240 nan 0.000 0.547 381 R N 2.735 123.239 120.500 0.008 0.000 2.103 381 R HA -0.101 4.239 4.340 0.000 0.000 0.242 381 R C 2.540 178.853 176.300 0.023 0.000 1.142 381 R CA 2.190 58.298 56.100 0.014 0.000 0.960 381 R CB -1.386 28.921 30.300 0.012 0.000 0.858 381 R HN 0.896 nan 8.270 nan 0.000 0.439 382 A N 0.292 123.126 122.820 0.022 0.000 1.884 382 A HA -0.265 4.055 4.320 0.000 0.000 0.219 382 A C 2.196 179.806 177.584 0.043 0.000 1.197 382 A CA 2.221 54.277 52.037 0.031 0.000 0.637 382 A CB -0.733 18.281 19.000 0.022 0.000 0.827 382 A HN 0.485 nan 8.150 nan 0.000 0.450 383 M N -0.161 119.460 119.600 0.035 0.000 2.086 383 M HA -0.086 4.394 4.480 0.000 0.000 0.261 383 M C 1.853 178.175 176.300 0.037 0.000 1.067 383 M CA 1.894 57.217 55.300 0.038 0.000 1.116 383 M CB -0.552 32.066 32.600 0.029 0.000 1.348 383 M HN 0.385 nan 8.290 nan 0.000 0.407 384 K N -0.491 119.926 120.400 0.028 0.000 2.160 384 K HA -0.228 4.092 4.320 0.000 0.000 0.206 384 K C 2.013 178.632 176.600 0.031 0.000 1.047 384 K CA 1.791 58.094 56.287 0.026 0.000 0.930 384 K CB -0.267 32.245 32.500 0.019 0.000 0.720 384 K HN 0.578 nan 8.250 nan 0.000 0.450 385 Q N -0.067 119.758 119.800 0.041 0.000 2.364 385 Q HA -0.099 4.241 4.340 0.000 0.000 0.207 385 Q C 1.865 177.902 176.000 0.061 0.000 0.970 385 Q CA 1.203 57.037 55.803 0.052 0.000 0.888 385 Q CB 0.323 29.101 28.738 0.067 0.000 0.951 385 Q HN 0.312 nan 8.270 nan 0.000 0.469 386 V N -5.732 114.220 119.914 0.063 0.000 3.484 386 V HA 0.359 4.479 4.120 0.000 0.000 0.252 386 V C 1.682 177.795 176.094 0.032 0.000 1.282 386 V CA 0.613 62.948 62.300 0.058 0.000 1.104 386 V CB 0.037 31.923 31.823 0.105 0.000 0.868 386 V HN 0.098 nan 8.190 nan 0.000 0.457 387 A N 1.481 124.321 122.820 0.033 0.000 2.021 387 A HA 0.329 4.649 4.320 0.000 0.000 0.216 387 A C 2.191 179.786 177.584 0.018 0.000 1.163 387 A CA 1.339 53.391 52.037 0.025 0.000 0.676 387 A CB -0.997 18.020 19.000 0.028 0.000 0.818 387 A HN 0.646 nan 8.150 nan 0.000 0.453 388 G N 0.191 109.001 108.800 0.017 0.000 2.418 388 G HA2 -0.210 3.750 3.960 0.000 0.000 0.217 388 G HA3 -0.210 3.750 3.960 0.000 0.000 0.217 388 G C 1.696 176.601 174.900 0.008 0.000 1.158 388 G CA 1.957 47.066 45.100 0.013 0.000 0.771 388 G HN 0.614 nan 8.290 nan 0.000 0.545 389 T N -1.484 113.071 114.554 0.002 0.000 2.951 389 T HA 0.062 4.412 4.350 0.000 0.000 0.268 389 T C 2.282 176.976 174.700 -0.010 0.000 1.073 389 T CA 1.204 63.299 62.100 -0.009 0.000 1.134 389 T CB -0.085 68.770 68.868 -0.022 0.000 0.884 389 T HN 0.242 nan 8.240 nan 0.000 0.479 390 M N 0.814 120.410 119.600 -0.006 0.000 2.156 390 M HA 0.060 4.540 4.480 0.000 0.000 0.264 390 M C 2.524 178.828 176.300 0.008 0.000 1.067 390 M CA 1.474 56.770 55.300 -0.006 0.000 1.131 390 M CB -0.187 32.412 32.600 -0.002 0.000 1.368 390 M HN 0.124 nan 8.290 nan 0.000 0.416 391 K N 0.365 120.774 120.400 0.015 0.000 2.063 391 K HA -0.235 4.085 4.320 0.000 0.000 0.208 391 K C 1.938 178.553 176.600 0.026 0.000 1.048 391 K CA 1.655 57.956 56.287 0.024 0.000 0.928 391 K CB -0.388 32.127 32.500 0.024 0.000 0.713 391 K HN 0.346 nan 8.250 nan 0.000 0.442 392 L N 1.930 123.163 121.223 0.017 0.000 2.017 392 L HA -0.153 4.187 4.340 0.000 0.000 0.208 392 L C 1.731 178.614 176.870 0.022 0.000 1.073 392 L CA 1.885 56.735 54.840 0.017 0.000 0.745 392 L CB -0.383 41.681 42.059 0.007 0.000 0.894 392 L HN 0.207 nan 8.230 nan 0.000 0.432 393 E N -1.005 119.204 120.200 0.014 0.000 2.274 393 E HA -0.125 4.225 4.350 0.000 0.000 0.194 393 E C 2.221 178.853 176.600 0.053 0.000 0.996 393 E CA 0.663 57.074 56.400 0.018 0.000 0.840 393 E CB -0.055 29.636 29.700 -0.015 0.000 0.772 393 E HN 0.490 nan 8.360 nan 0.000 0.491 394 L N 0.026 121.284 121.223 0.058 0.000 2.209 394 L HA -0.008 4.332 4.340 0.000 0.000 0.207 394 L C 2.344 179.300 176.870 0.143 0.000 1.094 394 L CA 0.579 55.488 54.840 0.116 0.000 0.790 394 L CB -0.079 42.029 42.059 0.082 0.000 0.932 394 L HN 0.123 nan 8.230 nan 0.000 0.447 395 A N -0.670 122.201 122.820 0.085 0.000 1.968 395 A HA -0.190 4.130 4.320 0.000 0.000 0.217 395 A C 2.151 179.769 177.584 0.057 0.000 1.169 395 A CA 1.110 53.184 52.037 0.063 0.000 0.638 395 A CB -0.246 18.778 19.000 0.040 0.000 0.812 395 A HN 0.435 nan 8.150 nan 0.000 0.446 396 Q N -2.114 117.726 119.800 0.068 0.000 2.172 396 Q HA -0.128 4.212 4.340 0.000 0.000 0.200 396 Q C 1.875 177.931 176.000 0.093 0.000 0.964 396 Q CA 1.425 57.264 55.803 0.061 0.000 0.855 396 Q CB -0.278 28.491 28.738 0.051 0.000 0.918 396 Q HN 0.825 nan 8.270 nan 0.000 0.444 397 Y N 1.130 121.428 120.300 -0.003 0.000 2.242 397 Y HA -0.118 4.432 4.550 0.000 0.000 0.291 397 Y C 1.875 177.777 175.900 0.003 0.000 1.137 397 Y CA 1.345 59.443 58.100 -0.002 0.000 1.181 397 Y CB 0.112 38.570 38.460 -0.003 0.000 0.989 397 Y HN -0.143 nan 8.280 nan 0.000 0.527 398 R N 0.013 120.462 120.500 -0.085 0.000 2.189 398 R HA -0.080 4.260 4.340 0.000 0.000 0.218 398 R C 1.771 177.993 176.300 -0.129 0.000 1.074 398 R CA 1.065 57.070 56.100 -0.160 0.000 0.991 398 R CB 0.037 30.316 30.300 -0.035 0.000 0.883 398 R HN 0.373 nan 8.270 nan 0.000 0.457 399 E N -0.160 119.993 120.200 -0.079 0.000 2.299 399 E HA -0.074 4.276 4.350 0.000 0.000 0.193 399 E C 1.539 178.096 176.600 -0.072 0.000 0.998 399 E CA 1.058 57.424 56.400 -0.056 0.000 0.851 399 E CB 0.542 30.228 29.700 -0.024 0.000 0.795 399 E HN 0.293 nan 8.360 nan 0.000 0.492 400 V N -3.016 116.835 119.914 -0.105 0.000 3.432 400 V HA 0.507 4.627 4.120 0.000 0.000 0.298 400 V C 0.951 176.965 176.094 -0.134 0.000 1.464 400 V CA -0.056 62.193 62.300 -0.086 0.000 1.046 400 V CB 0.076 31.879 31.823 -0.033 0.000 0.887 400 V HN -0.001 nan 8.190 nan 0.000 0.441 411 D N 1.393 121.792 120.400 -0.002 0.000 2.472 411 D HA 0.006 4.646 4.640 0.000 0.000 0.237 411 D C 1.200 177.497 176.300 -0.004 0.000 1.141 411 D CA 0.603 54.601 54.000 -0.004 0.000 0.875 411 D CB 1.855 42.652 40.800 -0.004 0.000 1.192 411 D HN 0.139 nan 8.370 nan 0.000 0.450 412 A N 2.507 125.323 122.820 -0.007 0.000 2.131 412 A HA -0.019 4.301 4.320 0.000 0.000 0.220 412 A C 2.155 179.733 177.584 -0.010 0.000 1.158 412 A CA 1.856 53.887 52.037 -0.010 0.000 0.665 412 A CB -0.562 18.431 19.000 -0.013 0.000 0.795 412 A HN 0.751 nan 8.150 nan 0.000 0.460 413 A N -0.294 122.522 122.820 -0.008 0.000 1.840 413 A HA -0.039 4.281 4.320 0.000 0.000 0.214 413 A C 2.362 179.945 177.584 -0.002 0.000 1.198 413 A CA 2.185 54.218 52.037 -0.007 0.000 0.608 413 A CB -1.188 17.808 19.000 -0.006 0.000 0.839 413 A HN 0.708 nan 8.150 nan 0.000 0.443 414 T N -2.489 112.066 114.554 0.002 0.000 3.088 414 T HA 0.001 4.351 4.350 0.000 0.000 0.259 414 T C 1.765 176.474 174.700 0.016 0.000 1.122 414 T CA 1.115 63.220 62.100 0.009 0.000 1.095 414 T CB -0.032 68.840 68.868 0.006 0.000 0.930 414 T HN 0.526 nan 8.240 nan 0.000 0.508 415 Q N 0.609 120.414 119.800 0.009 0.000 2.123 415 Q HA -0.120 4.220 4.340 0.000 0.000 0.199 415 Q C 2.457 178.462 176.000 0.008 0.000 0.966 415 Q CA 1.149 56.958 55.803 0.010 0.000 0.845 415 Q CB -0.111 28.628 28.738 0.001 0.000 0.907 415 Q HN 0.531 nan 8.270 nan 0.000 0.439 416 Q N 0.319 120.118 119.800 -0.002 0.000 2.167 416 Q HA -0.103 4.237 4.340 0.000 0.000 0.202 416 Q C 1.713 177.712 176.000 -0.002 0.000 0.970 416 Q CA 1.345 57.140 55.803 -0.013 0.000 0.855 416 Q CB -0.109 28.615 28.738 -0.024 0.000 0.911 416 Q HN 0.497 nan 8.270 nan 0.000 0.438 417 L N -0.652 120.584 121.223 0.023 0.000 2.156 417 L HA -0.086 4.254 4.340 0.000 0.000 0.208 417 L C 2.213 179.159 176.870 0.126 0.000 1.095 417 L CA 0.695 55.568 54.840 0.056 0.000 0.770 417 L CB -0.405 41.690 42.059 0.060 0.000 0.914 417 L HN 0.230 nan 8.230 nan 0.000 0.439 418 L N -0.977 120.323 121.223 0.128 0.000 2.072 418 L HA -0.113 4.227 4.340 0.000 0.000 0.205 418 L C 2.722 179.644 176.870 0.087 0.000 1.079 418 L CA 0.811 55.775 54.840 0.207 0.000 0.752 418 L CB -0.311 41.833 42.059 0.142 0.000 0.906 418 L HN 0.170 nan 8.230 nan 0.000 0.436 419 S N -0.340 115.372 115.700 0.019 0.000 2.368 419 S HA -0.213 4.257 4.470 0.000 0.000 0.225 419 S C 2.026 176.573 174.600 -0.087 0.000 1.030 419 S CA 1.340 59.520 58.200 -0.033 0.000 0.999 419 S CB -0.226 62.952 63.200 -0.036 0.000 0.844 419 S HN 0.264 nan 8.310 nan 0.000 0.459 420 R N 1.584 122.031 120.500 -0.089 0.000 2.075 420 R HA 0.033 4.373 4.340 0.000 0.000 0.232 420 R C 2.293 178.459 176.300 -0.223 0.000 1.126 420 R CA 1.721 57.744 56.100 -0.128 0.000 0.963 420 R CB -1.266 28.979 30.300 -0.092 0.000 0.858 420 R HN 0.358 nan 8.270 nan 0.000 0.435 421 G N 0.044 108.651 108.800 -0.322 0.000 2.421 421 G HA2 -0.233 3.727 3.960 0.000 0.000 0.216 421 G HA3 -0.233 3.727 3.960 0.000 0.000 0.216 421 G C 1.436 175.713 174.900 -1.039 0.000 1.171 421 G CA 1.309 45.890 45.100 -0.866 0.000 0.775 421 G HN 0.355 nan 8.290 nan 0.000 0.543 422 V N -1.069 118.442 119.914 -0.672 0.000 2.515 422 V HA 0.002 4.122 4.120 0.000 0.000 0.250 422 V C 2.558 178.511 176.094 -0.235 0.000 1.058 422 V CA 2.072 64.160 62.300 -0.353 0.000 1.064 422 V CB -0.558 31.202 31.823 -0.104 0.000 0.675 422 V HN 0.294 nan 8.190 nan 0.000 0.461 423 R N -0.036 120.333 120.500 -0.218 0.000 2.066 423 R HA 0.272 4.612 4.340 0.000 0.000 0.224 423 R C 2.392 178.608 176.300 -0.139 0.000 1.122 423 R CA 1.465 57.474 56.100 -0.151 0.000 0.974 423 R CB -0.435 29.780 30.300 -0.142 0.000 0.871 423 R HN 0.453 nan 8.270 nan 0.000 0.435 424 L N -0.013 121.108 121.223 -0.169 0.000 2.083 424 L HA -0.185 4.155 4.340 0.000 0.000 0.209 424 L C 2.222 179.026 176.870 -0.110 0.000 1.083 424 L CA 1.333 56.098 54.840 -0.126 0.000 0.752 424 L CB -0.717 41.264 42.059 -0.129 0.000 0.899 424 L HN 0.252 nan 8.230 nan 0.000 0.433 425 T N -0.770 113.685 114.554 -0.165 0.000 2.665 425 T HA -0.181 4.169 4.350 0.000 0.000 0.268 425 T C 1.813 176.479 174.700 -0.055 0.000 1.035 425 T CA 1.343 63.382 62.100 -0.102 0.000 1.151 425 T CB -0.128 68.665 68.868 -0.124 0.000 0.862 425 T HN 0.301 nan 8.240 nan 0.000 0.438 426 E N 0.979 121.141 120.200 -0.063 0.000 2.077 426 E HA -0.010 4.340 4.350 0.000 0.000 0.193 426 E C 2.343 178.934 176.600 -0.014 0.000 0.989 426 E CA 0.573 56.953 56.400 -0.033 0.000 0.800 426 E CB -0.564 29.116 29.700 -0.032 0.000 0.746 426 E HN 0.431 nan 8.360 nan 0.000 0.452 427 L N 0.382 121.594 121.223 -0.019 0.000 2.129 427 L HA -0.174 4.166 4.340 0.000 0.000 0.212 427 L C 2.219 179.095 176.870 0.010 0.000 1.087 427 L CA 0.990 55.833 54.840 0.005 0.000 0.757 427 L CB -0.231 41.827 42.059 -0.001 0.000 0.896 427 L HN 0.146 nan 8.230 nan 0.000 0.434 428 L N -0.972 120.250 121.223 -0.001 0.000 2.591 428 L HA 0.009 4.349 4.340 0.000 0.000 0.228 428 L C 0.838 177.711 176.870 0.005 0.000 1.133 428 L CA 0.012 54.856 54.840 0.006 0.000 0.880 428 L CB -0.192 41.871 42.059 0.007 0.000 1.033 428 L HN 0.115 nan 8.230 nan 0.000 0.450 429 K N 1.362 121.762 120.400 -0.001 0.000 2.355 429 K HA 0.198 4.518 4.320 0.000 0.000 0.270 429 K C -0.116 176.481 176.600 -0.006 0.000 1.003 429 K CA 0.336 56.618 56.287 -0.008 0.000 0.957 429 K CB 0.700 33.191 32.500 -0.014 0.000 0.939 429 K HN -0.008 nan 8.250 nan 0.000 0.482 430 Q N 0.485 120.275 119.800 -0.016 0.000 2.352 430 Q HA 0.305 4.645 4.340 0.000 0.000 0.270 430 Q C -0.905 175.071 176.000 -0.039 0.000 1.006 430 Q CA -0.582 55.210 55.803 -0.018 0.000 0.880 430 Q CB 1.772 30.503 28.738 -0.012 0.000 1.392 430 Q HN 0.799 nan 8.270 nan 0.000 0.401 431 G N 1.711 110.487 108.800 -0.040 0.000 2.616 431 G HA2 0.226 4.186 3.960 0.000 0.000 0.268 431 G HA3 0.226 4.186 3.960 0.000 0.000 0.268 431 G C -0.614 174.218 174.900 -0.114 0.000 1.213 431 G CA -0.247 44.814 45.100 -0.066 0.000 0.926 431 G HN 0.602 nan 8.290 nan 0.000 0.523 432 Q N -1.192 118.478 119.800 -0.217 0.000 2.299 432 Q HA 0.330 4.670 4.340 0.000 0.000 0.246 432 Q C -0.482 175.319 176.000 -0.331 0.000 0.935 432 Q CA -0.101 55.414 55.803 -0.480 0.000 0.887 432 Q CB 0.640 28.779 28.738 -0.999 0.000 1.223 432 Q HN 0.683 nan 8.270 nan 0.000 0.439 433 Y N -1.147 119.154 120.300 0.001 0.000 4.943 433 Y HA -0.255 4.295 4.550 0.000 0.000 0.258 433 Y C 0.102 175.995 175.900 -0.010 0.000 0.930 433 Y CA 0.156 58.252 58.100 -0.007 0.000 1.902 433 Y CB -1.380 37.073 38.460 -0.011 0.000 1.386 433 Y HN 0.385 nan 8.280 nan 0.000 0.558 434 S N 1.442 117.194 115.700 0.086 0.000 2.078 434 S HA 0.259 4.729 4.470 0.000 0.000 0.168 434 S C -2.228 172.383 174.600 0.018 0.000 1.542 434 S CA -0.915 57.312 58.200 0.045 0.000 1.223 434 S CB 0.705 63.924 63.200 0.030 0.000 1.152 434 S HN 0.067 nan 8.310 nan 0.000 0.452 435 P HA 0.149 nan 4.420 nan 0.000 0.269 435 P C -0.627 176.669 177.300 -0.007 0.000 1.209 435 P CA -0.033 63.074 63.100 0.012 0.000 0.776 435 P CB 0.482 32.196 31.700 0.023 0.000 0.876 436 M N 1.655 121.252 119.600 -0.005 0.000 2.268 436 M HA 0.458 4.938 4.480 0.000 0.000 0.344 436 M C 0.536 176.825 176.300 -0.018 0.000 1.106 436 M CA -0.838 54.452 55.300 -0.017 0.000 1.010 436 M CB 1.886 34.482 32.600 -0.007 0.000 1.649 436 M HN 0.343 nan 8.290 nan 0.000 0.443 437 A N 2.110 124.902 122.820 -0.047 0.000 2.520 437 A HA 0.066 4.386 4.320 0.000 0.000 0.235 437 A C 1.051 178.631 177.584 -0.006 0.000 1.065 437 A CA -0.243 51.766 52.037 -0.046 0.000 0.764 437 A CB 0.053 19.004 19.000 -0.082 0.000 1.002 437 A HN 0.963 nan 8.150 nan 0.000 0.502 438 I N 0.958 121.545 120.570 0.028 0.000 2.163 438 I HA -0.235 3.935 4.170 0.000 0.000 0.243 438 I C 2.532 178.659 176.117 0.016 0.000 1.085 438 I CA 2.480 63.801 61.300 0.035 0.000 1.347 438 I CB -0.353 37.680 38.000 0.055 0.000 1.044 438 I HN 0.867 nan 8.210 nan 0.000 0.408 439 E N 0.521 120.721 120.200 -0.000 0.000 2.153 439 E HA -0.279 4.071 4.350 0.000 0.000 0.194 439 E C 1.784 178.367 176.600 -0.029 0.000 0.988 439 E CA 1.709 58.099 56.400 -0.017 0.000 0.811 439 E CB -0.745 28.935 29.700 -0.032 0.000 0.746 439 E HN 0.671 nan 8.360 nan 0.000 0.466 440 E N 0.797 120.975 120.200 -0.037 0.000 2.106 440 E HA -0.143 4.207 4.350 0.000 0.000 0.192 440 E C 2.329 178.927 176.600 -0.002 0.000 0.984 440 E CA 1.094 57.466 56.400 -0.046 0.000 0.806 440 E CB -0.048 29.615 29.700 -0.062 0.000 0.750 440 E HN 0.408 nan 8.360 nan 0.000 0.458 441 Q N 0.307 120.114 119.800 0.013 0.000 2.050 441 Q HA -0.141 4.199 4.340 0.000 0.000 0.202 441 Q C 2.598 178.634 176.000 0.061 0.000 0.980 441 Q CA 1.659 57.484 55.803 0.037 0.000 0.840 441 Q CB -0.253 28.505 28.738 0.034 0.000 0.898 441 Q HN 0.292 nan 8.270 nan 0.000 0.424 442 V N -0.109 119.838 119.914 0.055 0.000 2.407 442 V HA -0.180 3.940 4.120 0.000 0.000 0.248 442 V C 2.061 178.232 176.094 0.127 0.000 1.055 442 V CA 1.972 64.323 62.300 0.084 0.000 1.049 442 V CB -0.730 31.133 31.823 0.067 0.000 0.662 442 V HN 0.325 nan 8.190 nan 0.000 0.455 443 A N -0.136 122.734 122.820 0.084 0.000 1.902 443 A HA -0.103 4.217 4.320 0.000 0.000 0.217 443 A C 2.399 180.167 177.584 0.308 0.000 1.181 443 A CA 2.341 54.449 52.037 0.119 0.000 0.623 443 A CB -0.908 18.093 19.000 0.001 0.000 0.818 443 A HN 0.527 nan 8.150 nan 0.000 0.443 444 V N 0.602 120.664 119.914 0.247 0.000 2.323 444 V HA -0.196 3.924 4.120 0.000 0.000 0.244 444 V C 2.441 178.646 176.094 0.184 0.000 1.041 444 V CA 1.647 64.106 62.300 0.265 0.000 1.025 444 V CB -0.556 31.371 31.823 0.173 0.000 0.656 444 V HN 0.519 nan 8.190 nan 0.000 0.451 445 I N -0.450 120.208 120.570 0.147 0.000 2.208 445 I HA -0.284 3.886 4.170 0.000 0.000 0.245 445 I C 2.375 178.567 176.117 0.126 0.000 1.097 445 I CA 1.932 63.296 61.300 0.106 0.000 1.363 445 I CB -1.425 36.626 38.000 0.085 0.000 1.051 445 I HN 0.410 nan 8.210 nan 0.000 0.413 446 Y N 2.262 122.595 120.300 0.054 0.000 2.069 446 Y HA -0.362 4.188 4.550 0.000 0.000 0.278 446 Y C 2.717 178.659 175.900 0.070 0.000 1.175 446 Y CA 2.566 60.702 58.100 0.061 0.000 1.134 446 Y CB -0.358 38.142 38.460 0.067 0.000 0.965 446 Y HN 0.147 nan 8.280 nan 0.000 0.498 447 A N 0.130 123.094 122.820 0.241 0.000 1.903 447 A HA -0.228 4.092 4.320 0.000 0.000 0.219 447 A C 2.465 180.085 177.584 0.059 0.000 1.191 447 A CA 2.183 54.276 52.037 0.093 0.000 0.638 447 A CB -1.821 17.094 19.000 -0.142 0.000 0.823 447 A HN 0.663 nan 8.150 nan 0.000 0.451 448 G N -0.486 108.315 108.800 0.001 0.000 2.434 448 G HA2 -0.104 3.856 3.960 0.000 0.000 0.214 448 G HA3 -0.104 3.856 3.960 0.000 0.000 0.214 448 G C 1.570 176.421 174.900 -0.082 0.000 1.202 448 G CA 1.929 46.998 45.100 -0.052 0.000 0.788 448 G HN 1.117 nan 8.290 nan 0.000 0.539 449 V N -1.914 117.949 119.914 -0.085 0.000 3.141 449 V HA 0.199 4.319 4.120 0.000 0.000 0.265 449 V C 2.114 178.104 176.094 -0.173 0.000 1.126 449 V CA 1.124 63.356 62.300 -0.113 0.000 1.141 449 V CB -0.341 31.431 31.823 -0.085 0.000 0.743 449 V HN 0.130 nan 8.190 nan 0.000 0.492 450 R N 0.673 121.042 120.500 -0.219 0.000 2.362 450 R HA 0.380 4.720 4.340 0.000 0.000 0.227 450 R C 1.709 177.788 176.300 -0.368 0.000 0.905 450 R CA 0.673 56.605 56.100 -0.281 0.000 1.067 450 R CB 0.386 30.470 30.300 -0.360 0.000 1.078 450 R HN 0.784 nan 8.270 nan 0.000 0.516 451 G N 0.155 108.782 108.800 -0.288 0.000 2.201 451 G HA2 -0.310 3.650 3.960 0.000 0.000 0.212 451 G HA3 -0.310 3.650 3.960 0.000 0.000 0.212 451 G C 0.605 175.298 174.900 -0.346 0.000 0.994 451 G CA -0.069 44.834 45.100 -0.329 0.000 0.644 451 G HN 0.347 nan 8.290 nan 0.000 0.508 452 Y N 0.686 120.875 120.300 -0.186 0.000 2.497 452 Y HA 0.237 4.787 4.550 0.000 0.000 0.292 452 Y C 2.671 178.362 175.900 -0.348 0.000 1.137 452 Y CA 1.423 59.391 58.100 -0.219 0.000 1.285 452 Y CB -0.056 38.291 38.460 -0.188 0.000 0.991 452 Y HN 0.371 nan 8.280 nan 0.000 0.556 453 L N -0.977 120.114 121.223 -0.221 0.000 2.529 453 L HA -0.001 4.339 4.340 0.000 0.000 0.223 453 L C 1.256 177.993 176.870 -0.222 0.000 1.113 453 L CA 0.093 54.742 54.840 -0.319 0.000 0.861 453 L CB -0.188 41.706 42.059 -0.274 0.000 1.012 453 L HN 0.062 nan 8.230 nan 0.000 0.461 454 D N 1.381 121.673 120.400 -0.180 0.000 2.149 454 D HA -0.179 4.461 4.640 0.000 0.000 0.198 454 D C 1.844 178.075 176.300 -0.114 0.000 0.990 454 D CA 1.428 55.344 54.000 -0.140 0.000 0.839 454 D CB 0.066 40.784 40.800 -0.137 0.000 0.948 454 D HN 0.240 nan 8.370 nan 0.000 0.460 455 K N -0.423 119.908 120.400 -0.115 0.000 2.444 455 K HA 0.162 4.482 4.320 0.000 0.000 0.193 455 K C 0.313 176.873 176.600 -0.067 0.000 1.024 455 K CA -0.097 56.143 56.287 -0.079 0.000 1.077 455 K CB 0.407 32.869 32.500 -0.064 0.000 0.833 455 K HN 0.094 nan 8.250 nan 0.000 0.517 456 L N 1.702 122.865 121.223 -0.100 0.000 2.350 456 L HA 0.156 4.496 4.340 0.000 0.000 0.275 456 L C 0.210 177.053 176.870 -0.046 0.000 1.099 456 L CA -0.502 54.295 54.840 -0.071 0.000 0.808 456 L CB 0.925 42.894 42.059 -0.151 0.000 1.149 456 L HN 0.056 nan 8.230 nan 0.000 0.442 457 E N 3.475 123.672 120.200 -0.005 0.000 2.414 457 E HA -0.006 4.344 4.350 0.000 0.000 0.263 457 E C -1.586 175.012 176.600 -0.004 0.000 1.000 457 E CA -1.342 55.057 56.400 -0.001 0.000 0.914 457 E CB 0.727 30.437 29.700 0.017 0.000 0.948 457 E HN 0.370 nan 8.360 nan 0.000 0.444 458 P HA -0.203 nan 4.420 nan 0.000 0.218 458 P C 1.047 178.348 177.300 0.002 0.000 1.148 458 P CA 1.235 64.323 63.100 -0.020 0.000 0.822 458 P CB 0.169 31.855 31.700 -0.024 0.000 0.784 459 S N -1.147 114.562 115.700 0.015 0.000 2.547 459 S HA -0.047 4.423 4.470 0.000 0.000 0.235 459 S C 1.482 176.117 174.600 0.059 0.000 0.980 459 S CA 0.872 59.089 58.200 0.028 0.000 0.941 459 S CB -0.704 62.510 63.200 0.023 0.000 0.763 459 S HN 0.237 nan 8.310 nan 0.000 0.532 460 K N 0.186 120.633 120.400 0.079 0.000 2.353 460 K HA 0.342 4.662 4.320 0.000 0.000 0.195 460 K C 1.231 177.930 176.600 0.165 0.000 1.031 460 K CA -0.128 56.253 56.287 0.156 0.000 1.079 460 K CB 0.089 32.713 32.500 0.205 0.000 0.857 460 K HN 0.247 nan 8.250 nan 0.000 0.535 461 I N 1.354 121.971 120.570 0.079 0.000 2.226 461 I HA -0.221 3.949 4.170 0.000 0.000 0.245 461 I C 1.838 178.028 176.117 0.121 0.000 1.100 461 I CA 1.695 63.030 61.300 0.058 0.000 1.374 461 I CB -1.293 36.703 38.000 -0.006 0.000 1.057 461 I HN 0.113 nan 8.210 nan 0.000 0.413 462 T N 0.781 115.395 114.554 0.100 0.000 2.746 462 T HA -0.206 4.144 4.350 0.000 0.000 0.267 462 T C 1.989 176.773 174.700 0.140 0.000 1.039 462 T CA 1.481 63.639 62.100 0.098 0.000 1.142 462 T CB -0.130 68.775 68.868 0.062 0.000 0.866 462 T HN 0.294 nan 8.240 nan 0.000 0.444 463 K N 0.125 120.638 120.400 0.189 0.000 2.026 463 K HA -0.104 4.216 4.320 0.000 0.000 0.208 463 K C 2.057 178.853 176.600 0.327 0.000 1.048 463 K CA 1.260 57.707 56.287 0.268 0.000 0.929 463 K CB -0.334 32.367 32.500 0.335 0.000 0.713 463 K HN 0.305 nan 8.250 nan 0.000 0.439 464 F N 2.165 122.157 119.950 0.070 0.000 2.069 464 F HA -0.238 4.289 4.527 0.000 0.000 0.298 464 F C 2.354 178.132 175.800 -0.036 0.000 1.113 464 F CA 2.217 60.031 58.000 -0.311 0.000 1.214 464 F CB -0.327 38.330 39.000 -0.571 0.000 0.978 464 F HN 0.216 nan 8.300 nan 0.000 0.474 465 E N 0.242 120.537 120.200 0.159 0.000 2.038 465 E HA -0.303 4.047 4.350 0.000 0.000 0.195 465 E C 1.980 178.598 176.600 0.029 0.000 1.000 465 E CA 2.006 58.479 56.400 0.121 0.000 0.803 465 E CB -0.540 29.245 29.700 0.140 0.000 0.750 465 E HN 0.640 nan 8.360 nan 0.000 0.448 466 N N -0.084 118.643 118.700 0.045 0.000 2.104 466 N HA -0.186 4.554 4.740 0.000 0.000 0.190 466 N C 1.888 177.397 175.510 -0.001 0.000 1.024 466 N CA 0.978 54.043 53.050 0.025 0.000 0.853 466 N CB -0.190 38.331 38.487 0.057 0.000 1.008 466 N HN 0.230 nan 8.380 nan 0.000 0.424 467 A N 0.602 123.454 122.820 0.053 0.000 1.929 467 A HA -0.112 4.208 4.320 0.000 0.000 0.216 467 A C 1.908 179.378 177.584 -0.190 0.000 1.176 467 A CA 0.800 52.914 52.037 0.128 0.000 0.628 467 A CB -0.666 18.624 19.000 0.484 0.000 0.816 467 A HN 0.395 nan 8.150 nan 0.000 0.444 468 F N 0.118 119.604 119.950 -0.774 0.000 2.163 468 F HA -0.055 4.472 4.527 0.000 0.000 0.297 468 F C 1.755 177.171 175.800 -0.639 0.000 1.094 468 F CA 1.479 58.656 58.000 -1.373 0.000 1.290 468 F CB -0.359 37.838 39.000 -1.339 0.000 1.017 468 F HN 0.183 nan 8.300 nan 0.000 0.483 469 L N 0.649 121.579 121.223 -0.489 0.000 1.994 469 L HA -0.158 4.182 4.340 0.000 0.000 0.208 469 L C 2.799 179.467 176.870 -0.336 0.000 1.071 469 L CA 2.349 56.936 54.840 -0.421 0.000 0.745 469 L CB -1.246 40.707 42.059 -0.176 0.000 0.892 469 L HN 0.363 nan 8.230 nan 0.000 0.431 470 S N -2.020 113.555 115.700 -0.207 0.000 2.419 470 S HA -0.304 4.166 4.470 0.000 0.000 0.233 470 S C 2.085 176.608 174.600 -0.128 0.000 1.016 470 S CA 1.293 59.416 58.200 -0.128 0.000 0.974 470 S CB -0.927 62.242 63.200 -0.050 0.000 0.786 470 S HN 0.741 nan 8.310 nan 0.000 0.492 471 H N 2.213 121.112 119.070 -0.286 0.000 2.299 471 H HA 0.001 4.557 4.556 0.000 0.000 0.302 471 H C 2.138 177.329 175.328 -0.229 0.000 1.078 471 H CA 2.329 58.236 56.048 -0.235 0.000 1.323 471 H CB -0.570 29.010 29.762 -0.304 0.000 1.381 471 H HN 0.326 nan 8.280 nan 0.000 0.498 472 V N -0.876 118.722 119.914 -0.527 0.000 2.515 472 V HA -0.124 3.996 4.120 0.000 0.000 0.250 472 V C 2.409 178.323 176.094 -0.300 0.000 1.058 472 V CA 1.858 63.888 62.300 -0.450 0.000 1.064 472 V CB -0.846 30.634 31.823 -0.572 0.000 0.675 472 V HN 0.427 nan 8.190 nan 0.000 0.461 473 I N 1.145 121.550 120.570 -0.274 0.000 2.493 473 I HA -0.160 4.010 4.170 0.000 0.000 0.254 473 I C 2.785 178.796 176.117 -0.176 0.000 1.160 473 I CA 1.768 62.952 61.300 -0.193 0.000 1.445 473 I CB -0.302 37.603 38.000 -0.159 0.000 1.086 473 I HN 0.473 nan 8.210 nan 0.000 0.433 474 S N 0.139 115.719 115.700 -0.200 0.000 2.371 474 S HA -0.074 4.396 4.470 0.000 0.000 0.219 474 S C 1.927 176.383 174.600 -0.239 0.000 1.040 474 S CA 0.719 58.814 58.200 -0.174 0.000 0.958 474 S CB 0.101 63.230 63.200 -0.119 0.000 0.860 474 S HN 0.313 nan 8.310 nan 0.000 0.487 475 Q N -0.093 119.477 119.800 -0.385 0.000 2.396 475 Q HA 0.206 4.546 4.340 0.000 0.000 0.209 475 Q C -0.010 175.507 176.000 -0.805 0.000 0.906 475 Q CA 0.562 56.025 55.803 -0.567 0.000 0.927 475 Q CB 0.233 28.566 28.738 -0.675 0.000 1.069 475 Q HN 0.702 nan 8.270 nan 0.000 0.523 476 H N -0.085 118.814 119.070 -0.284 0.000 2.790 476 H HA 0.239 4.795 4.556 0.000 0.000 0.232 476 H C 0.831 176.046 175.328 -0.188 0.000 1.313 476 H CA -0.222 55.692 56.048 -0.222 0.000 1.011 476 H CB 0.854 30.465 29.762 -0.251 0.000 2.105 476 H HN 0.085 nan 8.280 nan 0.000 0.580 477 Q N 0.829 120.564 119.800 -0.108 0.000 2.135 477 Q HA -0.091 4.249 4.340 0.000 0.000 0.204 477 Q C 2.232 178.191 176.000 -0.067 0.000 0.981 477 Q CA 1.333 57.080 55.803 -0.093 0.000 0.856 477 Q CB 0.095 28.774 28.738 -0.097 0.000 0.902 477 Q HN 0.547 nan 8.270 nan 0.000 0.425 478 A N 0.860 123.647 122.820 -0.055 0.000 1.933 478 A HA -0.155 4.165 4.320 0.000 0.000 0.218 478 A C 2.075 179.639 177.584 -0.033 0.000 1.175 478 A CA 0.981 52.995 52.037 -0.039 0.000 0.628 478 A CB -0.617 18.364 19.000 -0.030 0.000 0.814 478 A HN 0.362 nan 8.150 nan 0.000 0.444 479 L N -0.621 120.586 121.223 -0.027 0.000 2.044 479 L HA -0.096 4.244 4.340 0.000 0.000 0.205 479 L C 2.475 179.305 176.870 -0.067 0.000 1.075 479 L CA 1.470 56.281 54.840 -0.048 0.000 0.747 479 L CB -0.461 41.557 42.059 -0.067 0.000 0.903 479 L HN 0.430 nan 8.230 nan 0.000 0.435 480 L N -0.011 121.166 121.223 -0.077 0.000 2.017 480 L HA -0.217 4.123 4.340 0.000 0.000 0.208 480 L C 3.058 179.892 176.870 -0.059 0.000 1.073 480 L CA 1.526 56.318 54.840 -0.080 0.000 0.745 480 L CB -1.020 40.982 42.059 -0.096 0.000 0.894 480 L HN 0.398 nan 8.230 nan 0.000 0.432 481 S N 0.362 116.030 115.700 -0.054 0.000 2.374 481 S HA -0.311 4.159 4.470 0.000 0.000 0.227 481 S C 2.120 176.700 174.600 -0.033 0.000 1.037 481 S CA 2.294 60.469 58.200 -0.043 0.000 1.024 481 S CB -0.395 nan 63.200 nan 0.000 0.861 481 S HN 0.157 nan 8.310 nan 0.000 0.456 482 K N 0.863 121.243 120.400 -0.034 0.000 2.057 482 K HA 0.100 4.420 4.320 0.000 0.000 0.207 482 K C 1.724 178.309 176.600 -0.025 0.000 1.049 482 K CA 1.247 57.518 56.287 -0.027 0.000 0.931 482 K CB -0.489 31.994 32.500 -0.028 0.000 0.714 482 K HN 0.576 nan 8.250 nan 0.000 0.440 483 I N 0.221 120.771 120.570 -0.033 0.000 2.226 483 I HA -0.265 3.905 4.170 0.000 0.000 0.245 483 I C 2.584 178.692 176.117 -0.016 0.000 1.100 483 I CA 1.326 62.609 61.300 -0.028 0.000 1.374 483 I CB -0.296 37.679 38.000 -0.040 0.000 1.057 483 I HN 0.209 nan 8.210 nan 0.000 0.413 484 R N 0.630 121.120 120.500 -0.018 0.000 2.096 484 R HA -0.154 4.186 4.340 0.000 0.000 0.235 484 R C 2.164 178.464 176.300 -0.001 0.000 1.127 484 R CA 2.046 58.143 56.100 -0.006 0.000 0.968 484 R CB -0.283 30.010 30.300 -0.011 0.000 0.861 484 R HN 0.247 nan 8.270 nan 0.000 0.440 485 T N 0.875 115.424 114.554 -0.008 0.000 2.698 485 T HA -0.079 4.271 4.350 0.000 0.000 0.260 485 T C 1.081 175.778 174.700 -0.004 0.000 1.044 485 T CA 1.501 63.597 62.100 -0.006 0.000 1.149 485 T CB -0.323 68.539 68.868 -0.010 0.000 0.864 485 T HN 0.301 nan 8.240 nan 0.000 0.419 486 D N 0.506 120.902 120.400 -0.006 0.000 2.264 486 D HA 0.082 4.722 4.640 0.000 0.000 0.208 486 D C 1.709 178.008 176.300 -0.001 0.000 0.966 486 D CA 1.082 55.080 54.000 -0.004 0.000 0.864 486 D CB -0.637 40.160 40.800 -0.004 0.000 0.933 486 D HN 0.524 nan 8.370 nan 0.000 0.499 487 G N 0.622 109.421 108.800 -0.001 0.000 2.168 487 G HA2 -0.334 3.626 3.960 0.000 0.000 0.257 487 G HA3 -0.334 3.626 3.960 0.000 0.000 0.257 487 G C 0.385 175.288 174.900 0.005 0.000 0.997 487 G CA 0.837 45.938 45.100 0.002 0.000 0.708 487 G HN 0.502 nan 8.290 nan 0.000 0.520 488 K N -0.657 119.746 120.400 0.005 0.000 2.568 488 K HA 0.571 4.891 4.320 0.000 0.000 0.273 488 K C -0.773 175.833 176.600 0.009 0.000 0.951 488 K CA -1.211 55.082 56.287 0.011 0.000 0.854 488 K CB 1.174 33.681 32.500 0.010 0.000 1.424 488 K HN 0.089 nan 8.250 nan 0.000 0.427 489 I N 3.684 124.267 120.570 0.020 0.000 2.291 489 I HA 0.096 4.266 4.170 0.000 0.000 0.292 489 I C 0.680 176.811 176.117 0.023 0.000 1.064 489 I CA -0.408 60.903 61.300 0.018 0.000 1.269 489 I CB 1.108 39.137 38.000 0.048 0.000 1.418 489 I HN 0.599 nan 8.210 nan 0.000 0.485 490 S N 3.559 119.265 115.700 0.010 0.000 2.641 490 S HA 0.158 4.628 4.470 0.000 0.000 0.261 490 S C 0.979 175.591 174.600 0.021 0.000 1.257 490 S CA -0.470 57.738 58.200 0.013 0.000 0.983 490 S CB 1.239 64.443 63.200 0.005 0.000 0.990 490 S HN 0.690 nan 8.310 nan 0.000 0.572 491 E N 0.093 120.306 120.200 0.022 0.000 2.150 491 E HA -0.148 4.202 4.350 0.000 0.000 0.193 491 E C 1.939 178.552 176.600 0.022 0.000 0.985 491 E CA 1.074 57.491 56.400 0.028 0.000 0.814 491 E CB -0.095 29.620 29.700 0.026 0.000 0.752 491 E HN 0.812 nan 8.360 nan 0.000 0.466 492 E N -0.050 120.157 120.200 0.011 0.000 2.051 492 E HA -0.139 4.211 4.350 0.000 0.000 0.192 492 E C 1.895 178.489 176.600 -0.009 0.000 0.991 492 E CA 1.799 58.201 56.400 0.004 0.000 0.799 492 E CB -0.123 29.577 29.700 0.000 0.000 0.748 492 E HN -0.009 nan 8.360 nan 0.000 0.449 493 S N 0.117 115.806 115.700 -0.018 0.000 2.406 493 S HA -0.129 4.341 4.470 0.000 0.000 0.228 493 S C 1.513 176.070 174.600 -0.073 0.000 1.020 493 S CA 1.138 59.307 58.200 -0.050 0.000 0.965 493 S CB -0.408 62.762 63.200 -0.051 0.000 0.798 493 S HN 0.444 nan 8.310 nan 0.000 0.488 494 D N 1.705 122.095 120.400 -0.017 0.000 2.097 494 D HA -0.043 4.597 4.640 0.000 0.000 0.195 494 D C 1.995 178.322 176.300 0.045 0.000 0.989 494 D CA 1.336 55.356 54.000 0.035 0.000 0.827 494 D CB -0.304 40.566 40.800 0.118 0.000 0.966 494 D HN 0.288 nan 8.370 nan 0.000 0.456 495 A N 0.089 122.932 122.820 0.038 0.000 1.877 495 A HA -0.175 4.145 4.320 0.000 0.000 0.216 495 A C 2.184 179.774 177.584 0.010 0.000 1.186 495 A CA 2.014 54.077 52.037 0.043 0.000 0.620 495 A CB -0.679 18.342 19.000 0.035 0.000 0.822 495 A HN 0.184 nan 8.150 nan 0.000 0.443 496 K N -0.963 119.420 120.400 -0.029 0.000 2.148 496 K HA -0.034 4.286 4.320 0.000 0.000 0.204 496 K C 1.682 178.206 176.600 -0.125 0.000 1.050 496 K CA 0.844 57.093 56.287 -0.063 0.000 0.942 496 K CB -0.346 32.114 32.500 -0.066 0.000 0.724 496 K HN 0.315 nan 8.250 nan 0.000 0.446 497 L N 1.250 122.367 121.223 -0.177 0.000 2.027 497 L HA -0.081 4.259 4.340 0.000 0.000 0.206 497 L C 2.106 178.879 176.870 -0.162 0.000 1.074 497 L CA 1.826 56.481 54.840 -0.309 0.000 0.745 497 L CB -0.765 40.869 42.059 -0.708 0.000 0.898 497 L HN 0.183 nan 8.230 nan 0.000 0.433 498 K N -0.725 119.682 120.400 0.011 0.000 2.044 498 K HA -0.229 4.091 4.320 0.000 0.000 0.210 498 K C 1.987 178.618 176.600 0.053 0.000 1.049 498 K CA 1.746 58.120 56.287 0.145 0.000 0.927 498 K CB -0.134 32.505 32.500 0.232 0.000 0.713 498 K HN 0.317 nan 8.250 nan 0.000 0.443 499 E N 0.539 120.758 120.200 0.032 0.000 2.058 499 E HA -0.208 4.142 4.350 0.000 0.000 0.194 499 E C 2.149 178.764 176.600 0.023 0.000 0.997 499 E CA 1.638 58.058 56.400 0.034 0.000 0.801 499 E CB -0.188 29.525 29.700 0.022 0.000 0.746 499 E HN 0.431 nan 8.360 nan 0.000 0.450 500 I N 0.604 121.150 120.570 -0.039 0.000 2.142 500 I HA -0.264 3.906 4.170 0.000 0.000 0.240 500 I C 2.502 178.700 176.117 0.135 0.000 1.078 500 I CA 0.851 62.142 61.300 -0.015 0.000 1.343 500 I CB -0.342 37.519 38.000 -0.231 0.000 1.046 500 I HN -0.052 nan 8.210 nan 0.000 0.405 501 V N 0.314 120.242 119.914 0.024 0.000 2.343 501 V HA -0.276 3.844 4.120 0.000 0.000 0.247 501 V C 2.484 178.530 176.094 -0.081 0.000 1.051 501 V CA 2.485 64.709 62.300 -0.127 0.000 1.036 501 V CB -1.270 30.136 31.823 -0.694 0.000 0.654 501 V HN 0.474 nan 8.190 nan 0.000 0.451 502 T N 0.081 114.593 114.554 -0.070 0.000 2.746 502 T HA -0.193 4.157 4.350 0.000 0.000 0.267 502 T C 1.744 176.532 174.700 0.146 0.000 1.039 502 T CA 2.000 64.176 62.100 0.127 0.000 1.142 502 T CB -0.479 68.500 68.868 0.186 0.000 0.866 502 T HN 0.602 nan 8.240 nan 0.000 0.444 503 N N 0.004 118.790 118.700 0.143 0.000 2.135 503 N HA -0.009 4.731 4.740 0.000 0.000 0.186 503 N C 1.684 177.293 175.510 0.165 0.000 1.027 503 N CA 0.856 53.993 53.050 0.145 0.000 0.849 503 N CB -0.203 38.374 38.487 0.150 0.000 1.002 503 N HN 0.259 nan 8.380 nan 0.000 0.425 504 F N 1.900 121.907 119.950 0.094 0.000 2.134 504 F HA -0.091 4.436 4.527 0.000 0.000 0.299 504 F C 2.089 177.997 175.800 0.180 0.000 1.097 504 F CA 0.767 58.810 58.000 0.073 0.000 1.264 504 F CB -0.267 38.799 39.000 0.110 0.000 1.001 504 F HN -0.048 nan 8.300 nan 0.000 0.479 505 L N 0.800 122.213 121.223 0.317 0.000 2.083 505 L HA -0.038 4.302 4.340 0.000 0.000 0.209 505 L C 2.368 179.335 176.870 0.162 0.000 1.083 505 L CA 2.015 57.051 54.840 0.326 0.000 0.752 505 L CB -1.207 41.021 42.059 0.281 0.000 0.899 505 L HN 0.144 nan 8.230 nan 0.000 0.433 506 A N -0.831 122.051 122.820 0.103 0.000 2.015 506 A HA 0.020 4.340 4.320 0.000 0.000 0.219 506 A C 2.173 179.766 177.584 0.013 0.000 1.163 506 A CA 1.312 53.386 52.037 0.062 0.000 0.646 506 A CB -1.175 17.862 19.000 0.060 0.000 0.806 506 A HN 0.527 nan 8.150 nan 0.000 0.448 507 G N -2.163 106.608 108.800 -0.049 0.000 2.986 507 G HA2 0.276 4.236 3.960 0.000 0.000 0.213 507 G HA3 0.276 4.236 3.960 0.000 0.000 0.213 507 G C 0.256 175.054 174.900 -0.170 0.000 1.156 507 G CA -0.288 44.745 45.100 -0.112 0.000 0.763 507 G HN 0.343 nan 8.290 nan 0.000 0.547 508 F N 2.021 121.763 119.950 -0.345 0.000 2.495 508 F HA 0.440 4.967 4.527 0.000 0.000 0.365 508 F C 0.578 176.317 175.800 -0.102 0.000 1.090 508 F CA -0.662 57.161 58.000 -0.295 0.000 1.235 508 F CB 0.845 39.729 39.000 -0.193 0.000 1.119 508 F HN 0.064 nan 8.300 nan 0.000 0.562 509 E N 0.000 119.758 120.200 -0.736 0.000 2.725 509 E HA 0.000 4.350 4.350 0.000 0.000 0.291 509 E CA 0.000 56.127 56.400 -0.456 0.000 0.976 509 E CB 0.000 29.506 29.700 -0.324 0.000 0.812 509 E HN 0.000 nan 8.360 nan 0.000 0.440