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 2wlz_1_A DATA FIRST_RESID 24 DATA SEQUENCE AAPGKPTIAW GNTKFAIVEV DQAATAYNNL VKVKNAADVS VSWNLWNGDT DATA SEQUENCE GTTAKILLNG KEAWSGPSTG SSGTANFKVN KGGRYQMQVA LcNADGcTAS DATA SEQUENCE DATEIVVADT DGSHLAPLKE PLLEKNKPYK QNSGKVVGSY FVEWGVYGRN DATA SEQUENCE FTVDKIPAQN LTHLLYGFIP IcGGNGINDS LKEIEGSFQA LQRScQGRED DATA SEQUENCE FKVSIHDPFA ALQKAQKGVT AWDDPYKGNF GQLMALKQAH PDLKILPSIG DATA SEQUENCE GWTLSDPFFF MGDKVKRDRF VGSVKEFLQT WKFFDGVDID WEFPGGKGAN DATA SEQUENCE PNLGSPQDGE TYVLLMKELR AMLDQLSAET GRKYELTSAI SAGKDKIDKV DATA SEQUENCE AYNVAQNSMD HIFLMSYDFY GAFDLKNLGH QTALNAPAWK PDTAYTTVNG DATA SEQUENCE VNALLTQGVK PGKIVVGTAM YGRGWTGVNG YQNNIPFTGT ATGPVKGTWE DATA SEQUENCE NGIVDYRQIA SQFMSGEWQY TYDATAEAPY VFKPSTGDLI TFDDARSVQA DATA SEQUENCE KGKYVLDKQL GGLFSWEIDA DNGDILNSMN ASLGNSAG 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 24 A HA 0.000 nan 4.320 nan 0.000 0.244 24 A C 0.000 177.581 177.584 -0.005 0.000 1.274 24 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 24 A CB 0.000 19.001 19.000 0.002 0.000 0.831 25 A N 2.515 125.330 122.820 -0.008 0.000 2.386 25 A HA 0.685 5.005 4.320 0.001 0.000 0.246 25 A C -2.236 175.342 177.584 -0.010 0.000 1.089 25 A CA -0.763 51.266 52.037 -0.012 0.000 0.790 25 A CB -0.735 18.256 19.000 -0.015 0.000 1.042 25 A HN 0.570 nan 8.150 nan 0.000 0.497 26 P HA 0.254 nan 4.420 nan 0.000 0.271 26 P C 0.541 177.838 177.300 -0.006 0.000 1.233 26 P CA 0.322 63.415 63.100 -0.011 0.000 0.789 26 P CB 0.365 32.050 31.700 -0.024 0.000 0.951 27 G N 0.665 109.468 108.800 0.005 0.000 2.667 27 G HA2 0.139 4.100 3.960 0.001 0.000 0.250 27 G HA3 0.139 4.100 3.960 0.001 0.000 0.250 27 G C -0.578 174.325 174.900 0.006 0.000 1.212 27 G CA -0.417 44.693 45.100 0.016 0.000 0.874 27 G HN 0.446 nan 8.290 nan 0.000 0.561 28 K N 1.693 122.105 120.400 0.019 0.000 2.316 28 K HA 0.255 4.576 4.320 0.001 0.000 0.289 28 K C -2.033 174.580 176.600 0.022 0.000 1.070 28 K CA -1.485 54.807 56.287 0.008 0.000 0.928 28 K CB 0.949 33.459 32.500 0.017 0.000 1.039 28 K HN 0.219 nan 8.250 nan 0.000 0.480 29 P HA 0.120 nan 4.420 nan 0.000 0.276 29 P C -0.988 176.338 177.300 0.043 0.000 1.244 29 P CA -0.408 62.697 63.100 0.009 0.000 0.801 29 P CB 1.048 32.697 31.700 -0.086 0.000 1.006 30 T N 2.141 116.752 114.554 0.095 0.000 2.779 30 T HA 0.433 4.784 4.350 0.001 0.000 0.280 30 T C 0.547 175.299 174.700 0.087 0.000 0.987 30 T CA -0.451 61.713 62.100 0.106 0.000 0.966 30 T CB 0.277 69.300 68.868 0.258 0.000 0.933 30 T HN 0.205 nan 8.240 nan 0.000 0.442 31 I N 2.808 123.382 120.570 0.007 0.000 2.618 31 I HA 0.267 4.438 4.170 0.001 0.000 0.284 31 I C 1.100 177.163 176.117 -0.091 0.000 1.146 31 I CA -0.507 60.791 61.300 -0.002 0.000 1.425 31 I CB 0.466 38.431 38.000 -0.058 0.000 1.383 31 I HN 0.651 nan 8.210 nan 0.000 0.562 32 A N 6.973 129.792 122.820 -0.003 0.000 2.425 32 A HA 0.164 4.484 4.320 0.001 0.000 0.249 32 A C -0.738 176.829 177.584 -0.028 0.000 1.084 32 A CA -0.318 51.716 52.037 -0.006 0.000 0.781 32 A CB 0.064 19.088 19.000 0.040 0.000 1.019 32 A HN 0.698 nan 8.150 nan 0.000 0.490 33 W N 1.412 122.772 121.300 0.099 0.000 2.223 33 W HA 0.429 5.089 4.660 0.001 0.000 0.334 33 W C 0.926 177.488 176.519 0.073 0.000 1.334 33 W CA 1.622 59.016 57.345 0.082 0.000 1.246 33 W CB 0.659 30.164 29.460 0.075 0.000 1.184 33 W HN 1.088 nan 8.180 nan 0.000 0.563 34 G N 1.828 110.827 108.800 0.331 0.000 2.342 34 G HA2 0.031 3.992 3.960 0.001 0.000 0.297 34 G HA3 0.031 3.992 3.960 0.001 0.000 0.297 34 G C -1.208 173.779 174.900 0.146 0.000 1.313 34 G CA -1.261 43.964 45.100 0.209 0.000 0.830 34 G HN 0.360 nan 8.290 nan 0.000 0.506 35 N N 0.361 119.103 118.700 0.070 0.000 2.412 35 N HA 0.123 4.863 4.740 0.001 0.000 0.254 35 N C 1.123 176.545 175.510 -0.148 0.000 1.232 35 N CA 1.335 54.317 53.050 -0.113 0.000 0.880 35 N CB 1.150 39.504 38.487 -0.221 0.000 1.076 35 N HN 0.730 nan 8.380 nan 0.000 0.458 36 T N -1.603 112.793 114.554 -0.264 0.000 3.043 36 T HA 0.165 4.515 4.350 0.001 0.000 0.272 36 T C 0.262 174.769 174.700 -0.322 0.000 0.990 36 T CA -0.116 61.919 62.100 -0.108 0.000 0.897 36 T CB 0.476 69.357 68.868 0.022 0.000 1.111 36 T HN 0.281 nan 8.240 nan 0.000 0.529 37 K N 1.297 121.256 120.400 -0.735 0.000 2.307 37 K HA 0.642 4.963 4.320 0.001 0.000 0.263 37 K C -1.543 174.542 176.600 -0.860 0.000 0.973 37 K CA -0.590 55.362 56.287 -0.558 0.000 0.846 37 K CB 1.481 33.736 32.500 -0.407 0.000 1.100 37 K HN 0.158 nan 8.250 nan 0.000 0.438 38 F N 0.589 120.458 119.950 -0.134 0.000 2.631 38 F HA 0.709 5.237 4.527 0.001 0.000 0.328 38 F C -0.157 175.538 175.800 -0.175 0.000 1.067 38 F CA -1.199 56.714 58.000 -0.145 0.000 0.969 38 F CB 1.858 40.773 39.000 -0.141 0.000 1.332 38 F HN 0.438 nan 8.300 nan 0.000 0.490 39 A N 0.824 123.658 122.820 0.024 0.000 2.422 39 A HA 0.692 5.013 4.320 0.001 0.000 0.302 39 A C -0.008 177.575 177.584 -0.002 0.000 1.041 39 A CA -0.544 51.454 52.037 -0.065 0.000 0.708 39 A CB 0.892 19.802 19.000 -0.148 0.000 1.257 39 A HN 0.804 nan 8.150 nan 0.000 0.414 40 I N 1.059 121.637 120.570 0.013 0.000 2.277 40 I HA -0.038 4.133 4.170 0.001 0.000 0.243 40 I C 0.179 176.300 176.117 0.007 0.000 1.094 40 I CA 1.071 62.378 61.300 0.012 0.000 1.393 40 I CB 0.120 38.132 38.000 0.020 0.000 1.078 40 I HN 0.355 nan 8.210 nan 0.000 0.417 41 V N 2.880 122.823 119.914 0.050 0.000 2.333 41 V HA 0.188 4.308 4.120 0.001 0.000 0.274 41 V C -0.143 176.032 176.094 0.135 0.000 1.028 41 V CA -0.530 61.781 62.300 0.019 0.000 0.851 41 V CB 0.800 32.546 31.823 -0.127 0.000 1.000 41 V HN 0.186 nan 8.190 nan 0.000 0.456 42 E N 3.333 123.569 120.200 0.060 0.000 2.231 42 E HA 0.512 4.863 4.350 0.001 0.000 0.277 42 E C -1.120 175.547 176.600 0.111 0.000 0.999 42 E CA -0.673 55.770 56.400 0.071 0.000 0.827 42 E CB 2.617 32.332 29.700 0.026 0.000 1.101 42 E HN 0.413 nan 8.360 nan 0.000 0.393 43 V N 3.041 123.045 119.914 0.150 0.000 2.370 43 V HA 0.038 4.159 4.120 0.001 0.000 0.279 43 V C 0.079 176.236 176.094 0.104 0.000 1.029 43 V CA -0.709 61.691 62.300 0.167 0.000 0.870 43 V CB 1.387 33.362 31.823 0.254 0.000 0.984 43 V HN 0.634 nan 8.190 nan 0.000 0.451 44 D N 4.314 124.765 120.400 0.084 0.000 2.371 44 D HA 0.059 4.700 4.640 0.001 0.000 0.256 44 D C 0.845 177.198 176.300 0.089 0.000 1.193 44 D CA -0.091 53.952 54.000 0.071 0.000 0.881 44 D CB 1.522 42.354 40.800 0.054 0.000 1.143 44 D HN 0.444 nan 8.370 nan 0.000 0.473 45 Q N 2.250 122.103 119.800 0.089 0.000 2.472 45 Q HA 0.069 4.410 4.340 0.001 0.000 0.208 45 Q C 0.130 176.186 176.000 0.094 0.000 0.958 45 Q CA 0.388 56.254 55.803 0.104 0.000 0.932 45 Q CB 0.483 29.287 28.738 0.110 0.000 1.007 45 Q HN 0.505 nan 8.270 nan 0.000 0.508 46 A N 0.089 122.954 122.820 0.075 0.000 3.297 46 A HA 0.699 5.019 4.320 0.001 0.000 0.304 46 A C -0.610 177.010 177.584 0.059 0.000 0.963 46 A CA -0.023 52.051 52.037 0.062 0.000 0.935 46 A CB 0.264 19.290 19.000 0.044 0.000 1.093 46 A HN 0.035 nan 8.150 nan 0.000 0.480 47 A N -0.168 122.696 122.820 0.074 0.000 2.566 47 A HA 0.686 5.007 4.320 0.001 0.000 0.297 47 A C 0.405 178.044 177.584 0.091 0.000 1.059 47 A CA 0.292 52.372 52.037 0.071 0.000 0.691 47 A CB 0.624 19.664 19.000 0.065 0.000 1.282 47 A HN 1.016 nan 8.150 nan 0.000 0.401 48 T N -1.291 113.315 114.554 0.087 0.000 3.010 48 T HA 0.531 4.881 4.350 0.001 0.000 0.257 48 T C 0.766 175.539 174.700 0.122 0.000 1.020 48 T CA 0.839 63.002 62.100 0.106 0.000 0.938 48 T CB 0.109 69.026 68.868 0.083 0.000 1.049 48 T HN 1.713 nan 8.240 nan 0.000 0.522 49 A N 1.002 123.888 122.820 0.109 0.000 2.320 49 A HA 0.559 4.880 4.320 0.001 0.000 0.287 49 A C 0.737 178.426 177.584 0.176 0.000 1.181 49 A CA -0.691 51.423 52.037 0.128 0.000 0.831 49 A CB 0.075 19.129 19.000 0.090 0.000 1.102 49 A HN 0.344 nan 8.150 nan 0.000 0.513 50 Y N 3.248 123.609 120.300 0.102 0.000 2.151 50 Y HA -0.296 4.255 4.550 0.001 0.000 0.284 50 Y C 1.853 177.831 175.900 0.130 0.000 1.166 50 Y CA 2.802 60.988 58.100 0.143 0.000 1.163 50 Y CB -0.074 38.485 38.460 0.165 0.000 0.974 50 Y HN 0.782 nan 8.280 nan 0.000 0.511 51 N N 0.305 119.088 118.700 0.139 0.000 2.223 51 N HA -0.173 4.568 4.740 0.001 0.000 0.185 51 N C 1.215 176.714 175.510 -0.018 0.000 1.016 51 N CA 1.463 54.535 53.050 0.036 0.000 0.863 51 N CB -0.396 38.139 38.487 0.081 0.000 0.983 51 N HN 0.484 nan 8.380 nan 0.000 0.429 52 N N 0.209 118.915 118.700 0.011 0.000 2.395 52 N HA 0.000 4.741 4.740 0.001 0.000 0.175 52 N C 1.692 177.204 175.510 0.002 0.000 1.029 52 N CA 0.032 53.087 53.050 0.009 0.000 0.897 52 N CB -0.176 38.331 38.487 0.032 0.000 0.991 52 N HN 0.147 nan 8.380 nan 0.000 0.441 53 L N 0.942 122.167 121.223 0.004 0.000 2.079 53 L HA -0.016 4.324 4.340 0.001 0.000 0.210 53 L C 0.102 176.970 176.870 -0.003 0.000 1.081 53 L CA 1.180 56.036 54.840 0.028 0.000 0.752 53 L CB 0.098 42.198 42.059 0.069 0.000 0.896 53 L HN -0.195 nan 8.230 nan 0.000 0.433 54 V N 0.703 120.546 119.914 -0.118 0.000 2.378 54 V HA 0.312 4.432 4.120 0.001 0.000 0.288 54 V C -0.203 175.811 176.094 -0.134 0.000 1.016 54 V CA -0.790 61.428 62.300 -0.136 0.000 0.840 54 V CB 1.199 32.843 31.823 -0.297 0.000 0.994 54 V HN 0.120 nan 8.190 nan 0.000 0.431 55 K N 4.286 124.639 120.400 -0.079 0.000 2.367 55 K HA 0.608 4.929 4.320 0.001 0.000 0.263 55 K C -1.120 175.428 176.600 -0.087 0.000 1.000 55 K CA -0.472 55.773 56.287 -0.070 0.000 0.891 55 K CB 1.686 34.167 32.500 -0.031 0.000 1.117 55 K HN 0.510 nan 8.250 nan 0.000 0.443 56 V N 5.110 124.957 119.914 -0.111 0.000 2.432 56 V HA 0.220 4.340 4.120 0.001 0.000 0.271 56 V C -0.188 175.864 176.094 -0.070 0.000 1.046 56 V CA -0.309 61.919 62.300 -0.119 0.000 0.945 56 V CB 0.973 32.708 31.823 -0.148 0.000 0.992 56 V HN 0.747 nan 8.190 nan 0.000 0.471 57 K N 3.296 123.663 120.400 -0.054 0.000 2.306 57 K HA 0.491 4.811 4.320 0.001 0.000 0.236 57 K C 0.680 177.261 176.600 -0.032 0.000 1.013 57 K CA -0.909 55.356 56.287 -0.036 0.000 0.857 57 K CB 0.953 33.436 32.500 -0.027 0.000 1.214 57 K HN 0.320 nan 8.250 nan 0.000 0.449 58 N N 0.214 118.900 118.700 -0.023 0.000 2.309 58 N HA -0.042 4.698 4.740 0.001 0.000 0.182 58 N C -0.318 175.185 175.510 -0.010 0.000 1.018 58 N CA 0.739 53.780 53.050 -0.016 0.000 0.876 58 N CB 0.079 38.560 38.487 -0.010 0.000 0.972 58 N HN 0.565 nan 8.380 nan 0.000 0.434 59 A N -0.742 122.068 122.820 -0.016 0.000 2.604 59 A HA 0.728 5.049 4.320 0.001 0.000 0.295 59 A C -1.181 176.382 177.584 -0.035 0.000 1.067 59 A CA -0.597 51.429 52.037 -0.018 0.000 0.683 59 A CB 0.892 19.882 19.000 -0.016 0.000 1.281 59 A HN 0.105 nan 8.150 nan 0.000 0.407 60 A N 0.908 123.701 122.820 -0.044 0.000 2.425 60 A HA 0.523 4.844 4.320 0.001 0.000 0.249 60 A C -0.466 177.021 177.584 -0.163 0.000 1.084 60 A CA -0.155 51.843 52.037 -0.066 0.000 0.781 60 A CB -0.007 18.970 19.000 -0.037 0.000 1.019 60 A HN 0.636 nan 8.150 nan 0.000 0.490 61 D N 2.028 122.333 120.400 -0.158 0.000 2.347 61 D HA 0.375 5.015 4.640 0.001 0.000 0.235 61 D C -0.478 175.522 176.300 -0.501 0.000 1.149 61 D CA 0.275 54.121 54.000 -0.257 0.000 0.850 61 D CB 1.335 42.058 40.800 -0.128 0.000 1.061 61 D HN 0.163 nan 8.370 nan 0.000 0.487 62 V N 1.556 120.901 119.914 -0.948 0.000 2.630 62 V HA 0.476 4.597 4.120 0.001 0.000 0.305 62 V C 0.285 175.611 176.094 -1.280 0.000 1.046 62 V CA -0.528 60.765 62.300 -1.679 0.000 0.934 62 V CB 2.014 32.758 31.823 -1.799 0.000 1.003 62 V HN 0.440 nan 8.190 nan 0.000 0.451 63 S N 2.692 117.828 115.700 -0.940 0.000 2.571 63 S HA 0.808 5.278 4.470 0.001 0.000 0.284 63 S C -1.272 173.277 174.600 -0.085 0.000 1.128 63 S CA -0.416 57.577 58.200 -0.344 0.000 0.970 63 S CB 1.593 64.722 63.200 -0.118 0.000 1.039 63 S HN 0.490 nan 8.310 nan 0.000 0.485 64 V N 3.563 123.495 119.914 0.031 0.000 2.709 64 V HA 0.710 4.830 4.120 0.001 0.000 0.308 64 V C -0.180 175.989 176.094 0.125 0.000 1.062 64 V CA -0.580 61.802 62.300 0.137 0.000 0.901 64 V CB 2.167 34.117 31.823 0.212 0.000 1.003 64 V HN 0.881 nan 8.190 nan 0.000 0.425 65 S N 2.353 118.119 115.700 0.110 0.000 2.671 65 S HA 0.889 5.360 4.470 0.001 0.000 0.299 65 S C -1.384 173.303 174.600 0.145 0.000 1.116 65 S CA -0.618 57.551 58.200 -0.051 0.000 0.912 65 S CB 2.080 65.180 63.200 -0.166 0.000 1.130 65 S HN 0.873 nan 8.310 nan 0.000 0.501 66 W N 0.263 121.507 121.300 -0.094 0.000 3.074 66 W HA 0.705 5.366 4.660 0.001 0.000 0.332 66 W C -1.693 174.730 176.519 -0.161 0.000 1.253 66 W CA -0.617 56.664 57.345 -0.108 0.000 1.180 66 W CB 0.578 29.977 29.460 -0.102 0.000 1.445 66 W HN 0.354 nan 8.180 nan 0.000 0.573 67 N N 1.345 120.029 118.700 -0.027 0.000 2.240 67 N HA 0.548 5.289 4.740 0.001 0.000 0.302 67 N C -2.120 173.204 175.510 -0.310 0.000 1.106 67 N CA -0.709 52.117 53.050 -0.374 0.000 0.778 67 N CB 2.525 40.569 38.487 -0.739 0.000 1.431 67 N HN 0.615 nan 8.380 nan 0.000 0.479 68 L N 1.545 122.552 121.223 -0.360 0.000 2.294 68 L HA 0.451 4.792 4.340 0.001 0.000 0.283 68 L C -0.324 176.374 176.870 -0.287 0.000 1.015 68 L CA -0.323 54.392 54.840 -0.208 0.000 0.831 68 L CB 0.645 42.687 42.059 -0.028 0.000 1.217 68 L HN 0.632 nan 8.230 nan 0.000 0.420 69 W N 3.099 124.433 121.300 0.057 0.000 2.942 69 W HA 0.243 4.904 4.660 0.001 0.000 0.263 69 W C 0.121 176.661 176.519 0.034 0.000 1.296 69 W CA -0.358 57.012 57.345 0.042 0.000 1.504 69 W CB 0.364 29.847 29.460 0.038 0.000 1.096 69 W HN 0.493 nan 8.180 nan 0.000 0.639 70 N N -1.078 117.743 118.700 0.202 0.000 2.406 70 N HA 0.530 5.271 4.740 0.001 0.000 0.283 70 N C -0.152 175.406 175.510 0.080 0.000 1.074 70 N CA 0.210 53.339 53.050 0.132 0.000 0.916 70 N CB 2.089 40.649 38.487 0.122 0.000 1.639 70 N HN 0.036 nan 8.380 nan 0.000 0.485 71 G N 1.100 109.936 108.800 0.060 0.000 2.582 71 G HA2 -0.146 3.815 3.960 0.001 0.000 0.222 71 G HA3 -0.146 3.815 3.960 0.001 0.000 0.222 71 G C -1.622 173.296 174.900 0.030 0.000 1.311 71 G CA -0.752 44.371 45.100 0.039 0.000 0.915 71 G HN 0.631 nan 8.290 nan 0.000 0.528 72 D N -0.095 120.318 120.400 0.021 0.000 2.255 72 D HA 0.472 5.113 4.640 0.001 0.000 0.249 72 D C 1.932 178.242 176.300 0.017 0.000 1.078 72 D CA 0.540 54.550 54.000 0.017 0.000 0.896 72 D CB 1.310 42.117 40.800 0.011 0.000 1.194 72 D HN 0.841 nan 8.370 nan 0.000 0.429 73 T N 0.509 115.076 114.554 0.022 0.000 3.160 73 T HA 0.334 4.685 4.350 0.001 0.000 0.257 73 T C 1.122 175.839 174.700 0.028 0.000 1.147 73 T CA 0.451 62.573 62.100 0.036 0.000 1.064 73 T CB -0.479 68.425 68.868 0.059 0.000 0.949 73 T HN 0.752 nan 8.240 nan 0.000 0.526 74 G N 0.984 109.791 108.800 0.012 0.000 2.796 74 G HA2 -0.214 3.746 3.960 0.001 0.000 0.226 74 G HA3 -0.214 3.746 3.960 0.001 0.000 0.226 74 G C 0.603 175.506 174.900 0.006 0.000 1.381 74 G CA 0.509 45.608 45.100 -0.001 0.000 0.867 74 G HN 1.033 nan 8.290 nan 0.000 0.552 75 T N -4.126 110.423 114.554 -0.008 0.000 2.978 75 T HA 0.485 4.836 4.350 0.001 0.000 0.248 75 T C 0.951 175.643 174.700 -0.014 0.000 1.018 75 T CA 1.716 63.812 62.100 -0.007 0.000 1.026 75 T CB 0.494 69.353 68.868 -0.015 0.000 1.032 75 T HN 1.110 nan 8.240 nan 0.000 0.485 76 T N 2.083 116.617 114.554 -0.034 0.000 2.876 76 T HA 0.784 5.135 4.350 0.001 0.000 0.289 76 T C -0.900 173.765 174.700 -0.059 0.000 1.014 76 T CA -0.557 61.508 62.100 -0.058 0.000 0.986 76 T CB 1.672 70.483 68.868 -0.096 0.000 1.021 76 T HN 0.500 nan 8.240 nan 0.000 0.458 77 A N 3.179 125.981 122.820 -0.030 0.000 2.330 77 A HA 0.808 5.129 4.320 0.001 0.000 0.327 77 A C -0.450 177.111 177.584 -0.037 0.000 1.155 77 A CA -0.756 51.241 52.037 -0.066 0.000 0.803 77 A CB 0.795 19.817 19.000 0.037 0.000 1.208 77 A HN 0.764 nan 8.150 nan 0.000 0.477 78 K N 1.767 122.091 120.400 -0.127 0.000 2.375 78 K HA 0.571 4.891 4.320 0.001 0.000 0.249 78 K C -1.253 175.280 176.600 -0.113 0.000 0.942 78 K CA -0.756 55.490 56.287 -0.069 0.000 0.806 78 K CB 2.082 34.500 32.500 -0.138 0.000 1.227 78 K HN 0.493 nan 8.250 nan 0.000 0.430 79 I N 3.832 124.362 120.570 -0.066 0.000 2.336 79 I HA 0.309 4.479 4.170 0.001 0.000 0.292 79 I C -0.197 175.774 176.117 -0.243 0.000 0.991 79 I CA -0.539 60.609 61.300 -0.253 0.000 1.227 79 I CB 0.652 38.332 38.000 -0.533 0.000 1.366 79 I HN 0.437 nan 8.210 nan 0.000 0.466 80 L N 6.698 127.815 121.223 -0.176 0.000 2.317 80 L HA 0.575 4.915 4.340 0.001 0.000 0.281 80 L C -0.474 176.340 176.870 -0.093 0.000 1.024 80 L CA -0.712 54.051 54.840 -0.128 0.000 0.810 80 L CB 1.696 43.700 42.059 -0.091 0.000 1.240 80 L HN 0.328 nan 8.230 nan 0.000 0.427 81 L N 3.839 125.014 121.223 -0.080 0.000 2.316 81 L HA 0.406 4.747 4.340 0.001 0.000 0.280 81 L C -0.214 176.704 176.870 0.080 0.000 1.006 81 L CA -0.730 54.099 54.840 -0.019 0.000 0.836 81 L CB 1.237 43.165 42.059 -0.219 0.000 1.221 81 L HN 0.652 nan 8.230 nan 0.000 0.418 82 N N 3.195 121.970 118.700 0.125 0.000 2.716 82 N HA -0.228 4.512 4.740 0.001 0.000 0.250 82 N C 1.047 176.581 175.510 0.040 0.000 1.033 82 N CA 1.253 54.360 53.050 0.094 0.000 0.727 82 N CB -0.881 37.686 38.487 0.134 0.000 0.950 82 N HN 1.139 nan 8.380 nan 0.000 0.541 83 G N -1.173 107.633 108.800 0.009 0.000 2.234 83 G HA2 -0.382 3.578 3.960 0.001 0.000 0.260 83 G HA3 -0.382 3.578 3.960 0.001 0.000 0.260 83 G C 0.037 174.919 174.900 -0.030 0.000 0.987 83 G CA 0.843 45.934 45.100 -0.015 0.000 0.625 83 G HN 0.689 nan 8.290 nan 0.000 0.532 84 K N 1.309 121.693 120.400 -0.026 0.000 2.213 84 K HA 0.478 4.799 4.320 0.001 0.000 0.270 84 K C 0.298 176.851 176.600 -0.079 0.000 1.002 84 K CA -0.593 55.669 56.287 -0.041 0.000 0.868 84 K CB 0.741 33.231 32.500 -0.018 0.000 1.093 84 K HN 0.279 nan 8.250 nan 0.000 0.454 85 E N 3.291 123.436 120.200 -0.092 0.000 2.417 85 E HA -0.008 4.343 4.350 0.001 0.000 0.261 85 E C -0.228 176.286 176.600 -0.143 0.000 1.000 85 E CA 0.076 56.400 56.400 -0.127 0.000 0.919 85 E CB 0.874 30.501 29.700 -0.122 0.000 0.955 85 E HN 0.736 nan 8.360 nan 0.000 0.455 86 A N 4.977 127.664 122.820 -0.222 0.000 2.288 86 A HA 0.153 4.473 4.320 0.001 0.000 0.216 86 A C -0.438 177.015 177.584 -0.219 0.000 1.199 86 A CA -0.234 51.663 52.037 -0.234 0.000 0.891 86 A CB 0.122 18.936 19.000 -0.310 0.000 0.923 86 A HN 0.754 nan 8.150 nan 0.000 0.500 87 W N -0.324 120.683 121.300 -0.489 0.000 3.419 87 W HA 0.497 5.158 4.660 0.001 0.000 0.298 87 W C -1.109 175.252 176.519 -0.263 0.000 1.260 87 W CA 0.177 57.301 57.345 -0.367 0.000 1.199 87 W CB 1.144 30.269 29.460 -0.559 0.000 1.349 87 W HN 0.265 nan 8.180 nan 0.000 0.557 88 S N 3.195 118.275 115.700 -1.033 0.000 2.570 88 S HA 0.974 5.444 4.470 0.001 0.000 0.270 88 S C -0.755 172.895 174.600 -1.583 0.000 1.149 88 S CA -0.295 57.256 58.200 -1.081 0.000 0.837 88 S CB 1.814 64.717 63.200 -0.495 0.000 1.124 88 S HN 1.403 nan 8.310 nan 0.000 0.465 89 G N 0.134 108.258 108.800 -1.126 0.000 2.548 89 G HA2 0.720 4.680 3.960 0.001 0.000 0.301 89 G HA3 0.720 4.680 3.960 0.001 0.000 0.301 89 G C -3.582 171.204 174.900 -0.191 0.000 1.349 89 G CA -1.168 43.559 45.100 -0.622 0.000 0.792 89 G HN 0.615 nan 8.290 nan 0.000 0.481 90 P HA 0.254 nan 4.420 nan 0.000 0.271 90 P C -0.154 177.216 177.300 0.117 0.000 1.216 90 P CA 0.126 63.236 63.100 0.016 0.000 0.771 90 P CB 1.471 33.182 31.700 0.018 0.000 0.864 91 S N 1.858 117.621 115.700 0.105 0.000 2.400 91 S HA 0.237 4.708 4.470 0.001 0.000 0.295 91 S C 1.126 175.800 174.600 0.124 0.000 1.113 91 S CA -0.183 58.121 58.200 0.173 0.000 1.064 91 S CB -0.637 62.638 63.200 0.124 0.000 0.990 91 S HN 0.534 nan 8.310 nan 0.000 0.502 92 T N 1.548 116.179 114.554 0.130 0.000 3.001 92 T HA 0.505 4.856 4.350 0.001 0.000 0.251 92 T C 0.813 175.538 174.700 0.041 0.000 1.040 92 T CA 0.207 62.348 62.100 0.070 0.000 0.985 92 T CB 0.374 69.277 68.868 0.058 0.000 1.011 92 T HN 0.702 nan 8.240 nan 0.000 0.509 93 G N 0.069 108.894 108.800 0.043 0.000 2.682 93 G HA2 0.453 4.414 3.960 0.001 0.000 0.303 93 G HA3 0.453 4.414 3.960 0.001 0.000 0.303 93 G C 0.169 175.065 174.900 -0.008 0.000 1.341 93 G CA -0.160 44.940 45.100 -0.000 0.000 0.784 93 G HN -0.099 nan 8.290 nan 0.000 0.497 94 S N -0.490 115.172 115.700 -0.063 0.000 2.507 94 S HA 0.176 4.647 4.470 0.001 0.000 0.235 94 S C 0.846 175.320 174.600 -0.211 0.000 0.988 94 S CA 1.025 59.155 58.200 -0.117 0.000 0.944 94 S CB -0.170 62.938 63.200 -0.153 0.000 0.762 94 S HN 0.553 nan 8.310 nan 0.000 0.526 95 S N -0.848 114.699 115.700 -0.255 0.000 2.595 95 S HA 0.775 5.245 4.470 0.001 0.000 0.281 95 S C -0.135 174.077 174.600 -0.647 0.000 1.117 95 S CA -0.774 57.146 58.200 -0.467 0.000 0.873 95 S CB 2.227 65.195 63.200 -0.387 0.000 1.108 95 S HN 0.382 nan 8.310 nan 0.000 0.477 96 G N 0.225 108.232 108.800 -1.322 0.000 2.677 96 G HA2 0.659 4.620 3.960 0.001 0.000 0.291 96 G HA3 0.659 4.620 3.960 0.001 0.000 0.291 96 G C -1.665 172.212 174.900 -1.704 0.000 1.435 96 G CA -0.502 43.695 45.100 -1.505 0.000 0.826 96 G HN 0.607 nan 8.290 nan 0.000 0.491 97 T N -0.118 113.852 114.554 -0.972 0.000 2.916 97 T HA 0.729 5.079 4.350 0.001 0.000 0.298 97 T C -0.424 174.042 174.700 -0.389 0.000 1.031 97 T CA -0.104 61.654 62.100 -0.569 0.000 0.993 97 T CB 1.756 70.436 68.868 -0.314 0.000 1.045 97 T HN 1.257 nan 8.240 nan 0.000 0.454 98 A N 3.363 125.960 122.820 -0.371 0.000 2.330 98 A HA 0.779 5.100 4.320 0.001 0.000 0.313 98 A C -0.635 176.740 177.584 -0.348 0.000 1.124 98 A CA -0.864 50.650 52.037 -0.872 0.000 0.774 98 A CB 0.698 18.771 19.000 -1.544 0.000 1.198 98 A HN 0.699 nan 8.150 nan 0.000 0.465 99 N N 2.007 120.567 118.700 -0.232 0.000 2.407 99 N HA 0.727 5.468 4.740 0.001 0.000 0.277 99 N C -1.195 174.363 175.510 0.080 0.000 0.995 99 N CA 0.079 53.062 53.050 -0.112 0.000 0.903 99 N CB 1.542 39.990 38.487 -0.064 0.000 1.218 99 N HN 0.642 nan 8.380 nan 0.000 0.487 100 F N -1.214 118.653 119.950 -0.139 0.000 2.686 100 F HA 0.580 5.107 4.527 0.001 0.000 0.311 100 F C -0.720 175.028 175.800 -0.086 0.000 1.128 100 F CA -1.218 56.770 58.000 -0.019 0.000 0.946 100 F CB 1.492 40.537 39.000 0.075 0.000 1.336 100 F HN -0.112 nan 8.300 nan 0.000 0.457 101 K N 1.564 122.009 120.400 0.075 0.000 2.138 101 K HA 0.740 5.060 4.320 0.001 0.000 0.263 101 K C -1.510 175.104 176.600 0.023 0.000 0.965 101 K CA -1.050 55.214 56.287 -0.039 0.000 0.868 101 K CB 2.384 34.888 32.500 0.007 0.000 1.083 101 K HN 0.544 nan 8.250 nan 0.000 0.443 102 V N 3.573 123.448 119.914 -0.065 0.000 2.483 102 V HA 0.092 4.213 4.120 0.001 0.000 0.297 102 V C 0.110 176.200 176.094 -0.007 0.000 1.027 102 V CA -0.896 61.387 62.300 -0.029 0.000 0.855 102 V CB 1.384 33.150 31.823 -0.095 0.000 0.995 102 V HN 0.858 nan 8.190 nan 0.000 0.424 103 N N 3.013 121.726 118.700 0.021 0.000 2.230 103 N HA 0.093 4.834 4.740 0.001 0.000 0.202 103 N C -0.007 175.540 175.510 0.061 0.000 1.119 103 N CA -0.193 52.876 53.050 0.032 0.000 0.851 103 N CB 0.558 39.059 38.487 0.024 0.000 0.990 103 N HN 0.672 nan 8.380 nan 0.000 0.497 104 K N 0.188 120.651 120.400 0.104 0.000 2.471 104 K HA 0.521 4.842 4.320 0.001 0.000 0.252 104 K C -0.247 176.493 176.600 0.233 0.000 0.938 104 K CA -0.748 55.629 56.287 0.150 0.000 0.796 104 K CB 1.801 34.400 32.500 0.165 0.000 1.161 104 K HN 0.071 nan 8.250 nan 0.000 0.425 105 G N 1.287 110.190 108.800 0.171 0.000 2.594 105 G HA2 0.519 4.479 3.960 0.001 0.000 0.243 105 G HA3 0.519 4.479 3.960 0.001 0.000 0.243 105 G C -0.079 174.892 174.900 0.118 0.000 1.229 105 G CA 0.282 45.487 45.100 0.175 0.000 0.843 105 G HN 0.866 nan 8.290 nan 0.000 0.578 106 G N -0.261 108.576 108.800 0.062 0.000 2.356 106 G HA2 0.377 4.338 3.960 0.001 0.000 0.300 106 G HA3 0.377 4.338 3.960 0.001 0.000 0.300 106 G C -1.179 173.589 174.900 -0.220 0.000 1.331 106 G CA -1.100 43.871 45.100 -0.214 0.000 0.905 106 G HN 0.687 nan 8.290 nan 0.000 0.587 107 R N -0.010 120.307 120.500 -0.305 0.000 2.265 107 R HA 0.545 4.886 4.340 0.001 0.000 0.328 107 R C -1.299 174.834 176.300 -0.277 0.000 0.969 107 R CA -0.450 55.557 56.100 -0.154 0.000 0.832 107 R CB 1.236 31.492 30.300 -0.073 0.000 1.139 107 R HN 0.494 nan 8.270 nan 0.000 0.457 108 Y N 1.011 121.344 120.300 0.056 0.000 2.377 108 Y HA 0.179 4.730 4.550 0.001 0.000 0.339 108 Y C 0.312 176.236 175.900 0.041 0.000 1.011 108 Y CA -0.999 57.130 58.100 0.048 0.000 1.093 108 Y CB 1.760 40.258 38.460 0.064 0.000 1.201 108 Y HN 0.203 nan 8.280 nan 0.000 0.455 109 Q N 4.112 124.018 119.800 0.177 0.000 2.381 109 Q HA 0.132 4.473 4.340 0.001 0.000 0.243 109 Q C -0.341 175.722 176.000 0.105 0.000 1.154 109 Q CA 0.081 55.948 55.803 0.107 0.000 0.899 109 Q CB 0.844 29.619 28.738 0.062 0.000 1.396 109 Q HN 0.591 nan 8.270 nan 0.000 0.485 110 M N 2.855 122.512 119.600 0.095 0.000 2.277 110 M HA 0.256 4.737 4.480 0.001 0.000 0.350 110 M C -0.947 175.360 176.300 0.013 0.000 1.180 110 M CA 0.019 55.355 55.300 0.060 0.000 1.103 110 M CB 0.983 33.639 32.600 0.094 0.000 1.577 110 M HN 0.554 nan 8.290 nan 0.000 0.459 111 Q N 2.310 122.092 119.800 -0.029 0.000 2.421 111 Q HA 0.612 4.952 4.340 0.001 0.000 0.280 111 Q C -1.432 174.497 176.000 -0.119 0.000 1.085 111 Q CA -0.927 54.839 55.803 -0.062 0.000 0.807 111 Q CB 3.074 31.775 28.738 -0.062 0.000 1.405 111 Q HN 0.565 nan 8.270 nan 0.000 0.419 112 V N 1.166 120.984 119.914 -0.160 0.000 2.439 112 V HA 0.761 4.882 4.120 0.001 0.000 0.282 112 V C -0.555 175.372 176.094 -0.278 0.000 1.039 112 V CA -0.439 61.678 62.300 -0.305 0.000 0.913 112 V CB 1.280 32.839 31.823 -0.440 0.000 0.983 112 V HN 0.820 nan 8.190 nan 0.000 0.460 113 A N 5.935 128.581 122.820 -0.290 0.000 2.355 113 A HA 0.893 5.214 4.320 0.001 0.000 0.317 113 A C -1.010 176.429 177.584 -0.241 0.000 1.094 113 A CA -0.590 51.319 52.037 -0.213 0.000 0.764 113 A CB 1.046 19.956 19.000 -0.150 0.000 1.230 113 A HN 0.775 nan 8.150 nan 0.000 0.448 114 L N 1.459 122.571 121.223 -0.185 0.000 2.322 114 L HA 0.540 4.881 4.340 0.001 0.000 0.281 114 L C -0.850 175.965 176.870 -0.092 0.000 1.014 114 L CA -0.530 54.224 54.840 -0.143 0.000 0.815 114 L CB 1.661 43.652 42.059 -0.113 0.000 1.247 114 L HN 0.706 nan 8.230 nan 0.000 0.421 115 c N 2.329 120.882 118.600 -0.078 0.000 2.563 115 c HA 0.711 5.282 4.570 0.001 0.000 0.314 115 c C -0.064 173.998 174.090 -0.046 0.000 1.199 115 c CA -0.746 55.545 56.329 -0.063 0.000 1.564 115 c CB 1.357 43.823 42.510 -0.074 0.000 2.173 115 c HN 0.957 nan 8.230 nan 0.000 0.485 116 N N 0.661 119.338 118.700 -0.038 0.000 3.387 116 N HA 0.566 5.306 4.740 0.001 0.000 0.322 116 N C 0.357 175.849 175.510 -0.030 0.000 1.588 116 N CA -0.205 52.827 53.050 -0.030 0.000 0.778 116 N CB 0.302 38.776 38.487 -0.020 0.000 1.883 116 N HN 0.487 nan 8.380 nan 0.000 0.628 117 A N -0.970 121.835 122.820 -0.025 0.000 2.070 117 A HA -0.096 4.225 4.320 0.001 0.000 0.220 117 A C 0.818 178.388 177.584 -0.022 0.000 1.159 117 A CA 1.504 53.527 52.037 -0.024 0.000 0.656 117 A CB -0.715 18.273 19.000 -0.020 0.000 0.800 117 A HN 0.667 nan 8.150 nan 0.000 0.453 118 D N -1.188 119.200 120.400 -0.020 0.000 2.349 118 D HA 0.355 4.995 4.640 0.001 0.000 0.214 118 D C 0.852 177.140 176.300 -0.020 0.000 1.063 118 D CA 1.180 55.169 54.000 -0.018 0.000 0.847 118 D CB 0.661 41.453 40.800 -0.013 0.000 0.933 118 D HN 0.513 nan 8.370 nan 0.000 0.513 119 G N -0.529 108.256 108.800 -0.025 0.000 2.368 119 G HA2 0.085 4.046 3.960 0.001 0.000 0.302 119 G HA3 0.085 4.046 3.960 0.001 0.000 0.302 119 G C -1.531 173.347 174.900 -0.036 0.000 1.329 119 G CA -0.807 44.275 45.100 -0.029 0.000 0.935 119 G HN 0.152 nan 8.290 nan 0.000 0.590 120 c N 0.110 118.686 118.600 -0.041 0.000 2.455 120 c HA 0.885 5.456 4.570 0.001 0.000 0.320 120 c C 0.177 174.238 174.090 -0.050 0.000 1.226 120 c CA -0.330 55.967 56.329 -0.053 0.000 1.569 120 c CB 1.162 43.636 42.510 -0.060 0.000 2.200 120 c HN 0.843 nan 8.230 nan 0.000 0.491 121 T N 2.593 117.112 114.554 -0.058 0.000 2.847 121 T HA 0.653 5.004 4.350 0.001 0.000 0.291 121 T C -0.236 174.421 174.700 -0.072 0.000 0.998 121 T CA -0.121 61.949 62.100 -0.051 0.000 0.967 121 T CB 1.376 70.221 68.868 -0.038 0.000 0.954 121 T HN 0.881 nan 8.240 nan 0.000 0.441 122 A N 2.935 125.716 122.820 -0.064 0.000 2.312 122 A HA 0.776 5.096 4.320 0.001 0.000 0.326 122 A C 0.729 178.276 177.584 -0.062 0.000 1.172 122 A CA -0.784 51.206 52.037 -0.077 0.000 0.821 122 A CB 0.486 19.447 19.000 -0.065 0.000 1.166 122 A HN 0.903 nan 8.150 nan 0.000 0.493 123 S N 2.082 117.737 115.700 -0.076 0.000 2.596 123 S HA 0.183 4.653 4.470 0.001 0.000 0.260 123 S C -0.143 174.434 174.600 -0.037 0.000 1.336 123 S CA -0.496 57.674 58.200 -0.050 0.000 0.993 123 S CB 0.126 63.291 63.200 -0.060 0.000 0.923 123 S HN 0.641 nan 8.310 nan 0.000 0.567 124 D N 1.175 121.559 120.400 -0.025 0.000 2.449 124 D HA 0.387 5.027 4.640 0.001 0.000 0.236 124 D C 0.407 176.692 176.300 -0.026 0.000 1.149 124 D CA 0.484 54.471 54.000 -0.022 0.000 0.878 124 D CB 0.385 41.174 40.800 -0.018 0.000 1.198 124 D HN 0.849 nan 8.370 nan 0.000 0.446 125 A N 1.834 124.645 122.820 -0.015 0.000 2.425 125 A HA 0.399 4.720 4.320 0.001 0.000 0.249 125 A C 0.264 177.845 177.584 -0.005 0.000 1.084 125 A CA -0.044 51.990 52.037 -0.005 0.000 0.781 125 A CB 0.353 19.358 19.000 0.008 0.000 1.019 125 A HN 0.406 nan 8.150 nan 0.000 0.490 126 T N 2.027 116.584 114.554 0.005 0.000 2.807 126 T HA 0.314 4.665 4.350 0.001 0.000 0.279 126 T C -0.101 174.631 174.700 0.054 0.000 0.993 126 T CA -0.364 61.743 62.100 0.012 0.000 0.970 126 T CB 1.065 69.928 68.868 -0.008 0.000 0.950 126 T HN 0.768 nan 8.240 nan 0.000 0.441 127 E N 3.770 124.004 120.200 0.057 0.000 2.366 127 E HA 0.271 4.621 4.350 0.001 0.000 0.266 127 E C -0.258 176.410 176.600 0.112 0.000 1.015 127 E CA -0.313 56.135 56.400 0.080 0.000 0.906 127 E CB 0.339 30.070 29.700 0.052 0.000 0.979 127 E HN 0.614 nan 8.360 nan 0.000 0.443 128 I N 0.892 121.565 120.570 0.173 0.000 2.797 128 I HA 0.542 4.713 4.170 0.001 0.000 0.307 128 I C -0.965 175.292 176.117 0.234 0.000 1.033 128 I CA -1.216 60.215 61.300 0.218 0.000 1.071 128 I CB 1.962 40.144 38.000 0.302 0.000 1.255 128 I HN 0.144 nan 8.210 nan 0.000 0.445 129 V N 5.090 125.125 119.914 0.202 0.000 2.398 129 V HA 0.373 4.494 4.120 0.001 0.000 0.286 129 V C -0.107 176.123 176.094 0.227 0.000 1.026 129 V CA -0.553 61.852 62.300 0.175 0.000 0.868 129 V CB 1.624 33.488 31.823 0.069 0.000 0.982 129 V HN 0.562 nan 8.190 nan 0.000 0.443 130 V N 4.985 125.044 119.914 0.242 0.000 2.304 130 V HA 0.606 4.727 4.120 0.001 0.000 0.278 130 V C 0.513 176.624 176.094 0.028 0.000 1.018 130 V CA -0.604 61.809 62.300 0.188 0.000 0.814 130 V CB 1.365 33.366 31.823 0.296 0.000 1.021 130 V HN 0.949 nan 8.190 nan 0.000 0.440 131 A N 3.625 126.321 122.820 -0.207 0.000 2.363 131 A HA 0.682 5.003 4.320 0.001 0.000 0.270 131 A C -0.339 177.133 177.584 -0.188 0.000 1.121 131 A CA -0.019 51.592 52.037 -0.710 0.000 0.800 131 A CB 0.672 19.074 19.000 -0.997 0.000 1.052 131 A HN 0.736 nan 8.150 nan 0.000 0.493 132 D N -0.296 120.107 120.400 0.004 0.000 2.570 132 D HA 0.414 5.054 4.640 0.001 0.000 0.244 132 D C 0.948 177.411 176.300 0.272 0.000 1.178 132 D CA 0.408 54.518 54.000 0.185 0.000 0.881 132 D CB 1.756 42.628 40.800 0.120 0.000 1.453 132 D HN 0.441 nan 8.370 nan 0.000 0.447 133 T N -1.868 112.746 114.554 0.100 0.000 3.148 133 T HA -0.005 4.345 4.350 0.001 0.000 0.253 133 T C 0.792 175.600 174.700 0.180 0.000 1.134 133 T CA 0.308 62.437 62.100 0.048 0.000 1.051 133 T CB -0.144 68.713 68.868 -0.018 0.000 0.959 133 T HN 0.382 nan 8.240 nan 0.000 0.525 134 D N 1.168 121.658 120.400 0.150 0.000 2.355 134 D HA 0.135 4.776 4.640 0.001 0.000 0.218 134 D C 1.704 178.070 176.300 0.110 0.000 1.004 134 D CA 0.569 54.647 54.000 0.131 0.000 0.880 134 D CB -0.905 39.948 40.800 0.089 0.000 0.911 134 D HN 0.542 nan 8.370 nan 0.000 0.528 135 G N 0.613 109.516 108.800 0.173 0.000 2.148 135 G HA2 -0.374 3.587 3.960 0.001 0.000 0.254 135 G HA3 -0.374 3.587 3.960 0.001 0.000 0.254 135 G C 1.119 176.043 174.900 0.039 0.000 0.981 135 G CA 0.982 46.129 45.100 0.078 0.000 0.670 135 G HN 0.649 nan 8.290 nan 0.000 0.528 136 S N 0.414 116.204 115.700 0.151 0.000 2.465 136 S HA -0.162 4.309 4.470 0.001 0.000 0.241 136 S C 1.801 176.447 174.600 0.077 0.000 1.000 136 S CA 1.659 59.908 58.200 0.082 0.000 0.964 136 S CB -0.558 62.694 63.200 0.087 0.000 0.763 136 S HN 1.144 nan 8.310 nan 0.000 0.512 137 H N 0.118 119.189 119.070 0.001 0.000 2.551 137 H HA 0.481 5.037 4.556 0.001 0.000 0.271 137 H C 0.147 175.455 175.328 -0.034 0.000 0.984 137 H CA -0.572 55.464 56.048 -0.020 0.000 1.164 137 H CB -0.392 29.380 29.762 0.017 0.000 1.437 137 H HN 0.365 nan 8.280 nan 0.000 0.550 138 L N 1.623 122.569 121.223 -0.462 0.000 2.329 138 L HA 0.576 4.917 4.340 0.001 0.000 0.279 138 L C 0.372 177.110 176.870 -0.220 0.000 1.014 138 L CA -1.129 53.464 54.840 -0.412 0.000 0.814 138 L CB 1.791 43.569 42.059 -0.468 0.000 1.257 138 L HN 0.144 nan 8.230 nan 0.000 0.424 139 A N 4.554 127.271 122.820 -0.171 0.000 2.520 139 A HA 0.343 4.663 4.320 0.001 0.000 0.235 139 A C -2.297 175.204 177.584 -0.139 0.000 1.065 139 A CA -0.722 51.236 52.037 -0.131 0.000 0.764 139 A CB -0.632 18.305 19.000 -0.105 0.000 1.002 139 A HN 0.428 nan 8.150 nan 0.000 0.502 140 P HA 0.168 nan 4.420 nan 0.000 0.267 140 P C -0.608 176.617 177.300 -0.125 0.000 1.205 140 P CA -0.139 62.880 63.100 -0.135 0.000 0.765 140 P CB 0.400 32.016 31.700 -0.139 0.000 0.828 141 L N 5.013 126.162 121.223 -0.124 0.000 2.334 141 L HA 0.211 4.551 4.340 0.001 0.000 0.286 141 L C -0.087 176.737 176.870 -0.076 0.000 1.108 141 L CA 0.396 55.175 54.840 -0.102 0.000 0.875 141 L CB -0.634 41.358 42.059 -0.112 0.000 1.246 141 L HN 0.175 nan 8.230 nan 0.000 0.439 142 K N 4.756 125.111 120.400 -0.075 0.000 2.473 142 K HA 0.391 4.712 4.320 0.001 0.000 0.246 142 K C -0.721 175.862 176.600 -0.028 0.000 1.011 142 K CA -0.552 55.704 56.287 -0.053 0.000 0.984 142 K CB 1.254 33.703 32.500 -0.086 0.000 1.250 142 K HN 0.453 nan 8.250 nan 0.000 0.454 143 E N 2.849 123.046 120.200 -0.005 0.000 2.221 143 E HA 0.382 4.732 4.350 0.001 0.000 0.268 143 E C -2.169 174.427 176.600 -0.007 0.000 0.933 143 E CA -2.011 54.376 56.400 -0.023 0.000 0.809 143 E CB 1.342 31.014 29.700 -0.045 0.000 1.190 143 E HN 0.389 nan 8.360 nan 0.000 0.406 144 P HA 0.186 nan 4.420 nan 0.000 0.272 144 P C -0.059 177.240 177.300 -0.000 0.000 1.223 144 P CA -0.263 62.834 63.100 -0.005 0.000 0.784 144 P CB 0.702 32.396 31.700 -0.011 0.000 0.923 145 L N 1.513 122.743 121.223 0.012 0.000 2.485 145 L HA 0.125 4.465 4.340 0.001 0.000 0.275 145 L C 0.875 177.757 176.870 0.021 0.000 1.207 145 L CA 0.053 54.907 54.840 0.023 0.000 0.855 145 L CB -0.305 41.774 42.059 0.034 0.000 1.114 145 L HN 0.264 nan 8.230 nan 0.000 0.485 146 L N 2.151 123.393 121.223 0.031 0.000 2.298 146 L HA 0.439 4.780 4.340 0.001 0.000 0.268 146 L C 0.712 177.615 176.870 0.056 0.000 1.010 146 L CA -0.684 54.175 54.840 0.033 0.000 0.812 146 L CB 1.309 43.380 42.059 0.021 0.000 1.331 146 L HN 0.741 nan 8.230 nan 0.000 0.450 147 E N -0.051 120.181 120.200 0.052 0.000 3.439 147 E HA -0.353 3.997 4.350 0.001 0.000 0.385 147 E C 0.419 177.054 176.600 0.057 0.000 1.557 147 E CA 1.896 58.331 56.400 0.059 0.000 1.684 147 E CB -0.507 29.244 29.700 0.084 0.000 1.677 147 E HN 0.564 nan 8.360 nan 0.000 0.455 148 K N 1.288 121.732 120.400 0.073 0.000 2.387 148 K HA 0.183 4.503 4.320 0.001 0.000 0.198 148 K C -0.171 176.478 176.600 0.082 0.000 1.022 148 K CA -0.188 56.142 56.287 0.071 0.000 1.128 148 K CB 0.022 32.571 32.500 0.081 0.000 0.853 148 K HN 0.206 nan 8.250 nan 0.000 0.523 149 N N 2.556 121.308 118.700 0.086 0.000 2.483 149 N HA 0.036 4.776 4.740 0.001 0.000 0.264 149 N C -0.506 175.056 175.510 0.087 0.000 1.197 149 N CA 0.757 53.868 53.050 0.101 0.000 0.927 149 N CB 0.811 39.357 38.487 0.097 0.000 1.065 149 N HN 0.047 nan 8.380 nan 0.000 0.461 150 K N 2.097 122.568 120.400 0.119 0.000 2.328 150 K HA 0.463 4.783 4.320 0.001 0.000 0.246 150 K C -2.456 174.143 176.600 -0.001 0.000 0.955 150 K CA -1.708 54.600 56.287 0.034 0.000 0.817 150 K CB 1.979 34.483 32.500 0.006 0.000 1.208 150 K HN 0.320 nan 8.250 nan 0.000 0.432 151 P HA 0.102 nan 4.420 nan 0.000 0.281 151 P C -1.407 175.699 177.300 -0.323 0.000 1.252 151 P CA 0.026 63.066 63.100 -0.099 0.000 0.778 151 P CB 0.370 32.026 31.700 -0.073 0.000 0.895 152 Y N 0.821 121.131 120.300 0.018 0.000 2.524 152 Y HA 0.410 4.961 4.550 0.001 0.000 0.344 152 Y C 1.014 176.927 175.900 0.021 0.000 1.012 152 Y CA -0.791 57.320 58.100 0.019 0.000 1.068 152 Y CB 2.335 40.806 38.460 0.018 0.000 1.249 152 Y HN 0.133 nan 8.280 nan 0.000 0.468 153 K N 1.546 122.043 120.400 0.162 0.000 2.118 153 K HA 0.272 4.593 4.320 0.001 0.000 0.267 153 K C -0.690 175.985 176.600 0.125 0.000 0.991 153 K CA -0.960 55.394 56.287 0.112 0.000 0.916 153 K CB 0.794 33.339 32.500 0.075 0.000 1.041 153 K HN 0.475 nan 8.250 nan 0.000 0.455 154 Q N 3.096 122.952 119.800 0.093 0.000 2.681 154 Q HA 0.046 4.387 4.340 0.001 0.000 0.222 154 Q C -0.125 175.916 176.000 0.069 0.000 1.258 154 Q CA 0.009 55.860 55.803 0.080 0.000 1.014 154 Q CB 0.030 28.808 28.738 0.068 0.000 1.384 154 Q HN 0.578 nan 8.270 nan 0.000 0.570 155 N N -1.468 117.274 118.700 0.070 0.000 2.160 155 N HA -0.071 4.670 4.740 0.001 0.000 0.226 155 N C 0.764 176.305 175.510 0.052 0.000 1.256 155 N CA 0.179 53.263 53.050 0.057 0.000 0.890 155 N CB 0.097 38.616 38.487 0.053 0.000 1.116 155 N HN 0.120 nan 8.380 nan 0.000 0.517 156 S N -0.559 115.172 115.700 0.053 0.000 2.461 156 S HA 0.199 4.670 4.470 0.001 0.000 0.228 156 S C 1.677 176.303 174.600 0.043 0.000 1.005 156 S CA 0.762 58.988 58.200 0.044 0.000 0.942 156 S CB -0.818 62.405 63.200 0.038 0.000 0.776 156 S HN 0.641 nan 8.310 nan 0.000 0.514 157 G N 0.967 109.798 108.800 0.051 0.000 2.148 157 G HA2 -0.218 3.743 3.960 0.001 0.000 0.254 157 G HA3 -0.218 3.743 3.960 0.001 0.000 0.254 157 G C -0.028 174.909 174.900 0.062 0.000 0.981 157 G CA 0.429 45.564 45.100 0.057 0.000 0.670 157 G HN 0.523 nan 8.290 nan 0.000 0.528 158 K N 0.091 120.524 120.400 0.055 0.000 2.118 158 K HA 0.632 4.953 4.320 0.001 0.000 0.254 158 K C 0.588 177.220 176.600 0.054 0.000 0.961 158 K CA -0.869 55.447 56.287 0.049 0.000 0.876 158 K CB 2.034 34.555 32.500 0.035 0.000 1.077 158 K HN 0.078 nan 8.250 nan 0.000 0.440 159 V N 1.976 121.902 119.914 0.019 0.000 2.585 159 V HA 0.057 4.178 4.120 0.001 0.000 0.296 159 V C 0.069 176.203 176.094 0.067 0.000 1.035 159 V CA -0.298 61.999 62.300 -0.005 0.000 1.084 159 V CB 0.853 32.544 31.823 -0.221 0.000 0.953 159 V HN 0.348 nan 8.190 nan 0.000 0.483 160 V N 4.979 124.960 119.914 0.112 0.000 2.357 160 V HA 0.699 4.819 4.120 0.001 0.000 0.281 160 V C 0.525 176.697 176.094 0.130 0.000 1.015 160 V CA -0.200 62.158 62.300 0.097 0.000 0.827 160 V CB 1.221 33.072 31.823 0.047 0.000 1.018 160 V HN 0.972 nan 8.190 nan 0.000 0.432 161 G N 2.107 110.998 108.800 0.152 0.000 2.473 161 G HA2 0.747 4.708 3.960 0.001 0.000 0.321 161 G HA3 0.747 4.708 3.960 0.001 0.000 0.321 161 G C -0.956 174.008 174.900 0.107 0.000 1.200 161 G CA -0.570 44.606 45.100 0.126 0.000 0.963 161 G HN 0.648 nan 8.290 nan 0.000 0.483 162 S N -1.185 114.538 115.700 0.038 0.000 2.570 162 S HA 0.608 5.079 4.470 0.001 0.000 0.270 162 S C -1.841 172.743 174.600 -0.028 0.000 1.149 162 S CA -0.598 57.643 58.200 0.068 0.000 0.837 162 S CB 1.031 64.250 63.200 0.030 0.000 1.124 162 S HN 0.412 nan 8.310 nan 0.000 0.465 163 Y N 1.844 122.122 120.300 -0.037 0.000 2.313 163 Y HA 0.516 5.067 4.550 0.001 0.000 0.332 163 Y C -0.223 175.499 175.900 -0.296 0.000 1.071 163 Y CA -0.299 57.715 58.100 -0.142 0.000 1.169 163 Y CB 0.912 39.263 38.460 -0.182 0.000 1.192 163 Y HN 0.578 nan 8.280 nan 0.000 0.487 164 F N 4.919 124.735 119.950 -0.224 0.000 2.420 164 F HA 0.600 5.128 4.527 0.001 0.000 0.342 164 F C -0.573 174.889 175.800 -0.562 0.000 1.113 164 F CA -1.183 56.629 58.000 -0.314 0.000 1.059 164 F CB 0.727 39.676 39.000 -0.085 0.000 1.128 164 F HN 0.241 nan 8.300 nan 0.000 0.475 165 V N 3.780 122.851 119.914 -1.405 0.000 2.472 165 V HA 0.375 4.495 4.120 0.001 0.000 0.290 165 V C 0.985 176.160 176.094 -1.532 0.000 1.037 165 V CA -0.422 60.897 62.300 -1.635 0.000 0.908 165 V CB 1.569 32.068 31.823 -2.208 0.000 0.985 165 V HN 1.019 nan 8.190 nan 0.000 0.454 166 E N 3.759 123.326 120.200 -1.054 0.000 2.118 166 E HA -0.207 4.143 4.350 0.001 0.000 0.195 166 E C 1.355 177.822 176.600 -0.221 0.000 0.992 166 E CA 2.343 58.519 56.400 -0.373 0.000 0.804 166 E CB -0.075 29.625 29.700 0.000 0.000 0.741 166 E HN 0.997 nan 8.360 nan 0.000 0.458 167 W N -0.835 120.376 121.300 -0.148 0.000 3.256 167 W HA 0.431 5.091 4.660 0.001 0.000 0.269 167 W C 1.451 177.876 176.519 -0.156 0.000 1.310 167 W CA 0.006 57.340 57.345 -0.018 0.000 1.673 167 W CB -0.447 29.048 29.460 0.058 0.000 1.115 167 W HN -0.030 nan 8.180 nan 0.000 0.686 168 G N 1.481 109.879 108.800 -0.669 0.000 2.744 168 G HA2 -0.095 3.866 3.960 0.001 0.000 0.211 168 G HA3 -0.095 3.866 3.960 0.001 0.000 0.211 168 G C 1.188 175.883 174.900 -0.341 0.000 1.143 168 G CA 1.073 45.814 45.100 -0.598 0.000 0.788 168 G HN 0.430 nan 8.290 nan 0.000 0.534 169 V N -3.133 116.572 119.914 -0.348 0.000 3.461 169 V HA 0.195 4.316 4.120 0.001 0.000 0.267 169 V C 1.658 177.582 176.094 -0.283 0.000 1.186 169 V CA 0.170 62.294 62.300 -0.292 0.000 1.154 169 V CB -1.037 30.587 31.823 -0.331 0.000 0.802 169 V HN 0.224 nan 8.190 nan 0.000 0.474 170 Y N 2.248 122.549 120.300 0.000 0.000 2.926 170 Y HA 0.579 5.130 4.550 0.001 0.000 0.207 170 Y C 2.668 178.559 175.900 -0.015 0.000 0.927 170 Y CA 0.985 59.102 58.100 0.029 0.000 1.055 170 Y CB -1.158 37.338 38.460 0.060 0.000 1.056 170 Y HN 0.071 nan 8.280 nan 0.000 0.462 171 G N 0.000 108.888 108.800 0.147 0.000 2.440 171 G HA2 -0.228 3.733 3.960 0.001 0.000 0.218 171 G HA3 -0.228 3.733 3.960 0.001 0.000 0.218 171 G C 1.555 176.363 174.900 -0.152 0.000 1.154 171 G CA 0.928 46.054 45.100 0.044 0.000 0.767 171 G HN 0.294 nan 8.290 nan 0.000 0.552 172 R N -0.268 119.941 120.500 -0.485 0.000 2.235 172 R HA 0.053 4.394 4.340 0.001 0.000 0.213 172 R C 1.156 177.435 176.300 -0.035 0.000 1.059 172 R CA 0.456 56.264 56.100 -0.487 0.000 0.997 172 R CB -0.292 29.618 30.300 -0.649 0.000 0.884 172 R HN 0.472 nan 8.270 nan 0.000 0.462 173 N N -0.411 118.283 118.700 -0.010 0.000 2.735 173 N HA -0.248 4.493 4.740 0.001 0.000 0.248 173 N C -1.365 174.194 175.510 0.081 0.000 1.083 173 N CA 0.144 53.223 53.050 0.048 0.000 0.703 173 N CB -0.668 37.873 38.487 0.090 0.000 1.005 173 N HN 0.097 nan 8.380 nan 0.000 0.550 174 F N 1.517 121.404 119.950 -0.106 0.000 2.427 174 F HA 0.418 4.946 4.527 0.001 0.000 0.348 174 F C 0.538 176.363 175.800 0.043 0.000 1.125 174 F CA -0.015 57.952 58.000 -0.055 0.000 0.989 174 F CB 1.086 40.017 39.000 -0.116 0.000 1.165 174 F HN 0.063 nan 8.300 nan 0.000 0.442 175 T N 1.445 115.925 114.554 -0.123 0.000 2.940 175 T HA 0.367 4.717 4.350 0.001 0.000 0.288 175 T C 0.893 175.555 174.700 -0.062 0.000 1.045 175 T CA -0.745 61.390 62.100 0.058 0.000 1.018 175 T CB 1.426 70.248 68.868 -0.076 0.000 1.151 175 T HN 0.251 nan 8.240 nan 0.000 0.529 176 V N 1.766 121.561 119.914 -0.199 0.000 2.469 176 V HA -0.170 3.950 4.120 0.001 0.000 0.251 176 V C 2.531 178.467 176.094 -0.264 0.000 1.064 176 V CA 2.303 64.356 62.300 -0.412 0.000 1.066 176 V CB -0.940 30.599 31.823 -0.474 0.000 0.667 176 V HN 1.033 nan 8.190 nan 0.000 0.461 177 D N 0.269 120.536 120.400 -0.223 0.000 2.312 177 D HA -0.188 4.452 4.640 0.001 0.000 0.211 177 D C 1.602 177.773 176.300 -0.214 0.000 0.964 177 D CA 0.730 54.621 54.000 -0.183 0.000 0.877 177 D CB -0.199 40.512 40.800 -0.148 0.000 0.924 177 D HN 0.434 nan 8.370 nan 0.000 0.515 178 K N 0.323 120.505 120.400 -0.363 0.000 2.444 178 K HA 0.201 4.521 4.320 0.001 0.000 0.193 178 K C 0.759 177.193 176.600 -0.277 0.000 1.024 178 K CA -0.103 55.893 56.287 -0.486 0.000 1.077 178 K CB 0.590 32.473 32.500 -1.028 0.000 0.833 178 K HN 0.206 nan 8.250 nan 0.000 0.517 179 I N 4.276 124.777 120.570 -0.114 0.000 2.471 179 I HA 0.023 4.193 4.170 0.001 0.000 0.286 179 I C -1.804 174.330 176.117 0.030 0.000 1.079 179 I CA -1.981 59.376 61.300 0.095 0.000 1.398 179 I CB 0.599 38.623 38.000 0.040 0.000 1.403 179 I HN -0.149 nan 8.210 nan 0.000 0.530 180 P HA 0.056 nan 4.420 nan 0.000 0.235 180 P C 0.526 177.805 177.300 -0.034 0.000 1.765 180 P CA -0.010 63.109 63.100 0.032 0.000 1.034 180 P CB 0.374 32.117 31.700 0.072 0.000 1.984 181 A N 3.098 125.844 122.820 -0.124 0.000 2.019 181 A HA -0.214 4.106 4.320 0.001 0.000 0.219 181 A C 2.228 179.547 177.584 -0.442 0.000 1.164 181 A CA 1.321 53.176 52.037 -0.303 0.000 0.644 181 A CB -0.770 17.968 19.000 -0.438 0.000 0.805 181 A HN 0.504 nan 8.150 nan 0.000 0.449 182 Q N -0.705 118.899 119.800 -0.326 0.000 2.291 182 Q HA -0.119 4.221 4.340 0.001 0.000 0.205 182 Q C 0.410 176.393 176.000 -0.028 0.000 0.970 182 Q CA 1.367 57.085 55.803 -0.143 0.000 0.876 182 Q CB -0.429 28.354 28.738 0.075 0.000 0.935 182 Q HN 0.486 nan 8.270 nan 0.000 0.455 183 N N 0.444 119.140 118.700 -0.006 0.000 2.370 183 N HA 0.253 4.994 4.740 0.001 0.000 0.198 183 N C -0.614 174.904 175.510 0.014 0.000 1.156 183 N CA 0.317 53.398 53.050 0.052 0.000 0.839 183 N CB 0.376 38.921 38.487 0.095 0.000 0.989 183 N HN 0.245 nan 8.380 nan 0.000 0.468 184 L N -0.885 120.328 121.223 -0.016 0.000 2.354 184 L HA 0.370 4.710 4.340 0.001 0.000 0.264 184 L C 1.380 178.261 176.870 0.019 0.000 1.008 184 L CA -0.493 54.351 54.840 0.007 0.000 0.819 184 L CB 2.140 44.193 42.059 -0.011 0.000 1.339 184 L HN -0.059 nan 8.230 nan 0.000 0.420 185 T N -3.876 110.730 114.554 0.086 0.000 3.040 185 T HA 0.149 4.499 4.350 0.001 0.000 0.252 185 T C 0.326 175.006 174.700 -0.034 0.000 1.064 185 T CA 0.411 62.562 62.100 0.084 0.000 1.110 185 T CB -0.030 68.974 68.868 0.227 0.000 0.921 185 T HN 0.488 nan 8.240 nan 0.000 0.480 186 H N 0.242 119.326 119.070 0.022 0.000 2.609 186 H HA 0.702 5.259 4.556 0.001 0.000 0.344 186 H C -1.509 173.807 175.328 -0.019 0.000 1.040 186 H CA -0.995 55.070 56.048 0.028 0.000 1.216 186 H CB 1.779 31.581 29.762 0.066 0.000 1.529 186 H HN 0.146 nan 8.280 nan 0.000 0.519 187 L N 4.268 125.523 121.223 0.053 0.000 2.343 187 L HA 0.481 4.822 4.340 0.001 0.000 0.278 187 L C -1.687 175.201 176.870 0.029 0.000 0.996 187 L CA -0.470 54.384 54.840 0.023 0.000 0.831 187 L CB 0.742 42.812 42.059 0.019 0.000 1.232 187 L HN 0.533 nan 8.230 nan 0.000 0.413 188 L N 5.501 126.649 121.223 -0.126 0.000 2.282 188 L HA 0.379 4.719 4.340 0.001 0.000 0.288 188 L C -1.023 175.875 176.870 0.046 0.000 1.033 188 L CA -0.344 54.371 54.840 -0.208 0.000 0.807 188 L CB 1.192 42.650 42.059 -1.002 0.000 1.209 188 L HN 0.538 nan 8.230 nan 0.000 0.423 189 Y N 2.546 122.916 120.300 0.116 0.000 2.454 189 Y HA 0.577 5.127 4.550 0.001 0.000 0.345 189 Y C 0.554 176.540 175.900 0.145 0.000 0.970 189 Y CA -0.735 57.504 58.100 0.232 0.000 1.204 189 Y CB 1.013 39.735 38.460 0.438 0.000 1.122 189 Y HN 0.562 nan 8.280 nan 0.000 0.514 190 G N 5.893 114.456 108.800 -0.396 0.000 2.322 190 G HA2 0.524 4.485 3.960 0.001 0.000 0.309 190 G HA3 0.524 4.485 3.960 0.001 0.000 0.309 190 G C -1.653 172.918 174.900 -0.548 0.000 1.121 190 G CA -0.248 44.346 45.100 -0.843 0.000 0.886 190 G HN 0.474 nan 8.290 nan 0.000 0.447 191 F N 1.121 121.247 119.950 0.294 0.000 2.613 191 F HA 0.473 5.001 4.527 0.001 0.000 0.310 191 F C -0.321 175.702 175.800 0.371 0.000 1.085 191 F CA -1.205 57.021 58.000 0.376 0.000 0.945 191 F CB 2.119 41.364 39.000 0.407 0.000 1.298 191 F HN 0.148 nan 8.300 nan 0.000 0.455 192 I N 4.663 125.535 120.570 0.503 0.000 2.315 192 I HA 0.311 4.482 4.170 0.001 0.000 0.291 192 I C -2.266 173.938 176.117 0.144 0.000 1.006 192 I CA -2.749 58.709 61.300 0.264 0.000 1.265 192 I CB 0.861 38.855 38.000 -0.009 0.000 1.387 192 I HN 0.238 nan 8.210 nan 0.000 0.475 193 P HA 0.468 nan 4.420 nan 0.000 0.280 193 P C -0.710 176.492 177.300 -0.164 0.000 1.272 193 P CA -0.555 62.486 63.100 -0.099 0.000 0.819 193 P CB 1.862 33.422 31.700 -0.233 0.000 1.122 194 I N 0.423 120.843 120.570 -0.249 0.000 2.378 194 I HA 0.225 4.395 4.170 0.001 0.000 0.291 194 I C 0.461 176.376 176.117 -0.336 0.000 0.992 194 I CA -0.865 60.275 61.300 -0.266 0.000 1.154 194 I CB 1.236 38.991 38.000 -0.409 0.000 1.315 194 I HN 0.262 nan 8.210 nan 0.000 0.448 195 c N 4.711 123.135 118.600 -0.295 0.000 2.634 195 c HA 0.558 5.128 4.570 0.001 0.000 0.417 195 c C 0.880 174.674 174.090 -0.494 0.000 1.334 195 c CA 0.130 56.262 56.329 -0.329 0.000 1.829 195 c CB -0.781 41.595 42.510 -0.223 0.000 2.665 195 c HN 1.027 nan 8.230 nan 0.000 0.614 196 G N 1.995 110.528 108.800 -0.444 0.000 2.308 196 G HA2 0.500 4.460 3.960 0.001 0.000 0.288 196 G HA3 0.500 4.460 3.960 0.001 0.000 0.288 196 G C -0.360 174.338 174.900 -0.337 0.000 1.722 196 G CA -0.047 44.770 45.100 -0.472 0.000 0.924 196 G HN 1.063 nan 8.290 nan 0.000 0.732 197 G N 0.555 109.226 108.800 -0.216 0.000 3.137 197 G HA2 0.429 4.389 3.960 0.001 0.000 0.163 197 G HA3 0.429 4.389 3.960 0.001 0.000 0.163 197 G C 0.286 175.341 174.900 0.259 0.000 1.602 197 G CA -0.544 44.555 45.100 -0.001 0.000 1.067 197 G HN 0.727 nan 8.290 nan 0.000 0.568 198 N N 0.867 119.729 118.700 0.270 0.000 2.357 198 N HA 0.229 4.970 4.740 0.001 0.000 0.257 198 N C 1.266 176.789 175.510 0.022 0.000 1.250 198 N CA 1.370 54.484 53.050 0.106 0.000 0.862 198 N CB 0.902 39.414 38.487 0.041 0.000 1.066 198 N HN 1.029 nan 8.380 nan 0.000 0.468 199 G N 1.356 110.163 108.800 0.012 0.000 2.267 199 G HA2 -0.294 3.666 3.960 0.001 0.000 0.257 199 G HA3 -0.294 3.666 3.960 0.001 0.000 0.257 199 G C 0.830 175.737 174.900 0.011 0.000 0.998 199 G CA 0.504 45.622 45.100 0.030 0.000 0.620 199 G HN 0.564 nan 8.290 nan 0.000 0.529 200 I N -0.567 119.956 120.570 -0.078 0.000 3.300 200 I HA 0.247 4.418 4.170 0.001 0.000 0.279 200 I C 1.213 177.298 176.117 -0.053 0.000 1.172 200 I CA 0.380 61.555 61.300 -0.208 0.000 1.431 200 I CB 0.217 37.920 38.000 -0.495 0.000 1.240 200 I HN 0.050 nan 8.210 nan 0.000 0.453 201 N N 0.635 119.354 118.700 0.032 0.000 2.497 201 N HA 0.075 4.815 4.740 0.001 0.000 0.284 201 N C 0.004 175.627 175.510 0.188 0.000 1.459 201 N CA 0.086 53.182 53.050 0.076 0.000 0.899 201 N CB 0.562 39.045 38.487 -0.007 0.000 1.316 201 N HN 0.089 nan 8.380 nan 0.000 0.500 202 D N 0.264 120.710 120.400 0.076 0.000 2.182 202 D HA -0.077 4.563 4.640 0.001 0.000 0.201 202 D C 1.493 177.765 176.300 -0.047 0.000 0.986 202 D CA 1.160 55.130 54.000 -0.050 0.000 0.847 202 D CB 0.200 40.961 40.800 -0.065 0.000 0.942 202 D HN 0.099 nan 8.370 nan 0.000 0.467 203 S N 0.179 115.863 115.700 -0.027 0.000 2.419 203 S HA -0.058 4.412 4.470 0.001 0.000 0.233 203 S C 2.082 176.678 174.600 -0.006 0.000 1.016 203 S CA 0.298 58.465 58.200 -0.055 0.000 0.974 203 S CB -0.088 63.032 63.200 -0.133 0.000 0.786 203 S HN 0.313 nan 8.310 nan 0.000 0.492 204 L N 1.005 122.263 121.223 0.058 0.000 2.191 204 L HA -0.084 4.257 4.340 0.001 0.000 0.212 204 L C 2.123 179.062 176.870 0.115 0.000 1.103 204 L CA 1.019 55.931 54.840 0.120 0.000 0.769 204 L CB -0.403 41.788 42.059 0.220 0.000 0.908 204 L HN 0.270 nan 8.230 nan 0.000 0.438 205 K N -0.205 120.213 120.400 0.030 0.000 2.360 205 K HA -0.129 4.191 4.320 0.001 0.000 0.201 205 K C 1.585 178.174 176.600 -0.018 0.000 1.046 205 K CA 0.632 56.887 56.287 -0.053 0.000 0.945 205 K CB 0.029 32.385 32.500 -0.240 0.000 0.750 205 K HN 0.267 nan 8.250 nan 0.000 0.464 206 E N 0.386 120.589 120.200 0.004 0.000 2.482 206 E HA -0.019 4.331 4.350 0.001 0.000 0.196 206 E C 0.164 176.784 176.600 0.033 0.000 1.047 206 E CA 0.639 57.052 56.400 0.022 0.000 0.869 206 E CB 0.111 29.837 29.700 0.044 0.000 0.836 206 E HN 0.321 nan 8.360 nan 0.000 0.520 207 I N 1.594 122.185 120.570 0.036 0.000 2.382 207 I HA 0.076 4.246 4.170 0.001 0.000 0.285 207 I C 0.260 176.394 176.117 0.029 0.000 1.007 207 I CA -0.726 60.588 61.300 0.023 0.000 1.142 207 I CB 1.535 39.539 38.000 0.006 0.000 1.289 207 I HN -0.194 nan 8.210 nan 0.000 0.453 208 E N 5.212 125.423 120.200 0.017 0.000 2.966 208 E HA -0.004 4.346 4.350 0.001 0.000 0.254 208 E C 1.369 177.980 176.600 0.019 0.000 0.923 208 E CA 1.470 57.881 56.400 0.017 0.000 0.960 208 E CB 0.195 29.900 29.700 0.007 0.000 0.901 208 E HN 0.881 nan 8.360 nan 0.000 0.525 209 G N 2.996 111.821 108.800 0.042 0.000 2.212 209 G HA2 -0.406 3.555 3.960 0.001 0.000 0.266 209 G HA3 -0.406 3.555 3.960 0.001 0.000 0.266 209 G C 1.073 176.019 174.900 0.077 0.000 0.978 209 G CA 0.789 45.917 45.100 0.047 0.000 0.632 209 G HN 0.604 nan 8.290 nan 0.000 0.537 210 S N -0.997 114.764 115.700 0.102 0.000 2.377 210 S HA 0.160 4.630 4.470 0.001 0.000 0.223 210 S C 1.940 176.706 174.600 0.277 0.000 1.030 210 S CA 1.523 59.814 58.200 0.152 0.000 0.970 210 S CB -0.238 63.038 63.200 0.127 0.000 0.830 210 S HN 0.798 nan 8.310 nan 0.000 0.473 211 F N 2.146 122.141 119.950 0.073 0.000 2.186 211 F HA -0.057 4.470 4.527 0.001 0.000 0.299 211 F C 2.151 177.973 175.800 0.037 0.000 1.090 211 F CA 1.640 59.660 58.000 0.034 0.000 1.307 211 F CB -0.358 38.639 39.000 -0.003 0.000 1.019 211 F HN 0.216 nan 8.300 nan 0.000 0.489 212 Q N 0.699 120.612 119.800 0.188 0.000 2.119 212 Q HA -0.052 4.288 4.340 0.001 0.000 0.201 212 Q C 2.397 178.402 176.000 0.008 0.000 0.972 212 Q CA 1.582 57.430 55.803 0.074 0.000 0.847 212 Q CB -0.774 28.033 28.738 0.116 0.000 0.903 212 Q HN 0.500 nan 8.270 nan 0.000 0.433 213 A N 0.421 123.279 122.820 0.064 0.000 1.902 213 A HA -0.152 4.168 4.320 0.001 0.000 0.217 213 A C 2.008 179.652 177.584 0.100 0.000 1.181 213 A CA 1.289 53.382 52.037 0.093 0.000 0.623 213 A CB -0.644 18.414 19.000 0.096 0.000 0.818 213 A HN 0.367 nan 8.150 nan 0.000 0.443 214 L N -0.592 120.659 121.223 0.046 0.000 2.056 214 L HA -0.151 4.190 4.340 0.001 0.000 0.207 214 L C 2.352 179.100 176.870 -0.203 0.000 1.078 214 L CA 2.009 56.772 54.840 -0.130 0.000 0.749 214 L CB -0.563 41.272 42.059 -0.374 0.000 0.901 214 L HN 0.331 nan 8.230 nan 0.000 0.433 215 Q N -0.344 119.270 119.800 -0.309 0.000 2.170 215 Q HA -0.217 4.124 4.340 0.001 0.000 0.203 215 Q C 2.357 178.292 176.000 -0.109 0.000 0.976 215 Q CA 1.501 57.145 55.803 -0.266 0.000 0.858 215 Q CB -0.580 27.972 28.738 -0.310 0.000 0.907 215 Q HN 0.554 nan 8.270 nan 0.000 0.433 216 R N 0.093 120.562 120.500 -0.052 0.000 2.073 216 R HA -0.054 4.287 4.340 0.001 0.000 0.229 216 R C 2.379 178.701 176.300 0.036 0.000 1.120 216 R CA 1.343 57.445 56.100 0.004 0.000 0.967 216 R CB -0.125 30.191 30.300 0.027 0.000 0.862 216 R HN 0.190 nan 8.270 nan 0.000 0.436 217 S N -0.372 115.359 115.700 0.051 0.000 2.382 217 S HA -0.130 4.341 4.470 0.001 0.000 0.228 217 S C 1.569 176.226 174.600 0.095 0.000 1.027 217 S CA 1.304 59.568 58.200 0.107 0.000 0.991 217 S CB -0.177 63.096 63.200 0.123 0.000 0.823 217 S HN 0.591 nan 8.310 nan 0.000 0.469 218 c N 2.152 120.756 118.600 0.008 0.000 2.625 218 c HA 0.338 4.909 4.570 0.001 0.000 0.285 218 c C 0.882 174.972 174.090 -0.001 0.000 1.279 218 c CA -0.714 55.609 56.329 -0.010 0.000 1.698 218 c CB -2.092 40.353 42.510 -0.109 0.000 1.821 218 c HN 0.681 nan 8.230 nan 0.000 0.600 219 Q N 0.785 120.596 119.800 0.018 0.000 2.263 219 Q HA 0.302 4.642 4.340 0.001 0.000 0.289 219 Q C 1.276 177.295 176.000 0.032 0.000 1.061 219 Q CA 1.354 57.166 55.803 0.016 0.000 0.927 219 Q CB 0.115 28.868 28.738 0.025 0.000 1.154 219 Q HN 0.652 nan 8.270 nan 0.000 0.378 220 G N 3.602 112.413 108.800 0.019 0.000 2.168 220 G HA2 -0.353 3.608 3.960 0.001 0.000 0.263 220 G HA3 -0.353 3.608 3.960 0.001 0.000 0.263 220 G C 0.008 174.930 174.900 0.037 0.000 0.977 220 G CA 0.532 45.648 45.100 0.027 0.000 0.659 220 G HN 0.666 nan 8.290 nan 0.000 0.533 221 R N 0.724 121.244 120.500 0.033 0.000 2.445 221 R HA 0.504 4.845 4.340 0.001 0.000 0.308 221 R C 0.216 176.523 176.300 0.012 0.000 0.961 221 R CA -0.719 55.410 56.100 0.048 0.000 0.862 221 R CB 0.782 31.130 30.300 0.079 0.000 1.144 221 R HN 0.380 nan 8.270 nan 0.000 0.447 222 E N 2.530 122.746 120.200 0.026 0.000 2.452 222 E HA -0.061 4.289 4.350 0.001 0.000 0.261 222 E C -0.568 176.015 176.600 -0.027 0.000 0.987 222 E CA 0.176 56.586 56.400 0.017 0.000 0.926 222 E CB 0.455 30.187 29.700 0.053 0.000 0.934 222 E HN 0.466 nan 8.360 nan 0.000 0.452 223 D N 1.538 121.895 120.400 -0.072 0.000 2.478 223 D HA -0.112 4.529 4.640 0.001 0.000 0.234 223 D C 0.346 176.585 176.300 -0.102 0.000 1.154 223 D CA 0.711 54.555 54.000 -0.261 0.000 0.874 223 D CB 0.149 40.748 40.800 -0.335 0.000 1.198 223 D HN 0.460 nan 8.370 nan 0.000 0.455 224 F N -1.937 117.951 119.950 -0.103 0.000 2.656 224 F HA -0.274 4.254 4.527 0.001 0.000 0.381 224 F C 0.879 176.711 175.800 0.053 0.000 0.603 224 F CA 0.661 58.618 58.000 -0.071 0.000 1.335 224 F CB -1.511 37.448 39.000 -0.068 0.000 1.836 224 F HN 0.218 nan 8.300 nan 0.000 0.290 225 K N 1.207 121.661 120.400 0.091 0.000 2.118 225 K HA 0.616 4.936 4.320 0.001 0.000 0.267 225 K C 0.432 177.040 176.600 0.013 0.000 0.991 225 K CA -0.368 55.970 56.287 0.084 0.000 0.916 225 K CB 1.934 34.472 32.500 0.064 0.000 1.041 225 K HN 0.060 nan 8.250 nan 0.000 0.455 226 V N -0.780 119.131 119.914 -0.005 0.000 3.096 226 V HA 0.335 4.455 4.120 0.001 0.000 0.306 226 V C 0.247 176.221 176.094 -0.199 0.000 1.088 226 V CA -0.132 62.099 62.300 -0.114 0.000 1.129 226 V CB 1.431 33.102 31.823 -0.254 0.000 1.014 226 V HN 0.771 nan 8.190 nan 0.000 0.486 227 S N 1.583 117.114 115.700 -0.282 0.000 2.880 227 S HA 0.722 5.192 4.470 0.001 0.000 0.308 227 S C -1.049 173.398 174.600 -0.255 0.000 1.195 227 S CA -0.874 57.022 58.200 -0.506 0.000 0.866 227 S CB 1.411 64.434 63.200 -0.295 0.000 1.254 227 S HN 0.784 nan 8.310 nan 0.000 0.571 228 I N 1.662 122.145 120.570 -0.144 0.000 2.406 228 I HA 0.359 4.529 4.170 0.001 0.000 0.290 228 I C 0.965 177.209 176.117 0.212 0.000 0.999 228 I CA -0.412 60.977 61.300 0.149 0.000 1.124 228 I CB 1.845 39.972 38.000 0.212 0.000 1.289 228 I HN 0.870 nan 8.210 nan 0.000 0.441 229 H N 3.594 122.761 119.070 0.161 0.000 2.363 229 H HA -0.039 4.518 4.556 0.001 0.000 0.301 229 H C 0.205 175.634 175.328 0.167 0.000 1.074 229 H CA 0.762 56.898 56.048 0.147 0.000 1.354 229 H CB 0.642 30.518 29.762 0.190 0.000 1.397 229 H HN 0.503 nan 8.280 nan 0.000 0.516 230 D N -0.694 119.889 120.400 0.305 0.000 2.408 230 D HA 0.133 4.774 4.640 0.001 0.000 0.261 230 D C -2.132 174.300 176.300 0.221 0.000 1.190 230 D CA -2.291 51.853 54.000 0.240 0.000 0.910 230 D CB 1.352 42.311 40.800 0.266 0.000 1.097 230 D HN 0.118 nan 8.370 nan 0.000 0.522 231 P HA -0.040 nan 4.420 nan 0.000 0.222 231 P C 1.229 178.616 177.300 0.145 0.000 1.147 231 P CA 0.392 63.579 63.100 0.144 0.000 0.790 231 P CB 0.091 31.911 31.700 0.200 0.000 0.780 232 F N 1.137 121.149 119.950 0.104 0.000 2.084 232 F HA -0.123 4.405 4.527 0.001 0.000 0.296 232 F C 2.220 178.082 175.800 0.102 0.000 1.111 232 F CA 1.655 59.723 58.000 0.113 0.000 1.224 232 F CB -0.933 38.157 39.000 0.149 0.000 0.991 232 F HN -0.131 nan 8.300 nan 0.000 0.471 233 A N 0.363 123.247 122.820 0.106 0.000 1.933 233 A HA -0.057 4.263 4.320 0.001 0.000 0.218 233 A C 2.360 179.883 177.584 -0.102 0.000 1.175 233 A CA 1.820 53.818 52.037 -0.066 0.000 0.628 233 A CB -1.578 17.468 19.000 0.077 0.000 0.814 233 A HN 0.527 nan 8.150 nan 0.000 0.444 234 A N -1.331 121.435 122.820 -0.091 0.000 1.969 234 A HA 0.205 4.526 4.320 0.001 0.000 0.218 234 A C 1.890 179.221 177.584 -0.422 0.000 1.169 234 A CA 1.555 53.390 52.037 -0.336 0.000 0.635 234 A CB -0.224 18.359 19.000 -0.695 0.000 0.810 234 A HN 0.477 nan 8.150 nan 0.000 0.445 235 L N -3.395 117.664 121.223 -0.275 0.000 3.076 235 L HA 0.177 4.518 4.340 0.001 0.000 0.271 235 L C 1.902 178.724 176.870 -0.080 0.000 1.152 235 L CA 0.287 55.035 54.840 -0.153 0.000 0.996 235 L CB 0.423 42.435 42.059 -0.079 0.000 1.453 235 L HN 0.278 nan 8.230 nan 0.000 0.571 236 Q N -0.651 119.023 119.800 -0.210 0.000 2.254 236 Q HA 0.134 4.474 4.340 0.001 0.000 0.259 236 Q C 0.398 176.132 176.000 -0.444 0.000 0.815 236 Q CA -0.149 55.534 55.803 -0.199 0.000 0.961 236 Q CB 1.295 30.050 28.738 0.029 0.000 1.140 236 Q HN 0.053 nan 8.270 nan 0.000 0.502 237 K N 1.917 121.790 120.400 -0.879 0.000 2.447 237 K HA 0.238 4.559 4.320 0.001 0.000 0.281 237 K C -0.510 175.935 176.600 -0.259 0.000 1.031 237 K CA -0.165 55.661 56.287 -0.769 0.000 1.019 237 K CB 0.539 32.594 32.500 -0.743 0.000 0.918 237 K HN 0.109 nan 8.250 nan 0.000 0.476 238 A N 4.828 127.591 122.820 -0.095 0.000 2.546 238 A HA 0.031 4.352 4.320 0.001 0.000 0.243 238 A C -0.420 177.132 177.584 -0.054 0.000 1.063 238 A CA 0.255 52.272 52.037 -0.035 0.000 0.757 238 A CB 0.298 19.315 19.000 0.028 0.000 0.991 238 A HN 0.716 nan 8.150 nan 0.000 0.503 239 Q N 0.700 120.463 119.800 -0.061 0.000 2.553 239 Q HA 0.309 4.650 4.340 0.001 0.000 0.293 239 Q C -0.818 175.143 176.000 -0.065 0.000 1.038 239 Q CA -0.961 54.800 55.803 -0.069 0.000 0.777 239 Q CB 1.476 30.157 28.738 -0.094 0.000 1.487 239 Q HN 0.804 nan 8.270 nan 0.000 0.426 240 K N 0.078 120.435 120.400 -0.072 0.000 2.466 240 K HA 0.115 4.436 4.320 0.001 0.000 0.278 240 K C 0.849 177.401 176.600 -0.081 0.000 1.048 240 K CA 1.678 57.923 56.287 -0.071 0.000 1.088 240 K CB -0.366 32.087 32.500 -0.078 0.000 0.884 240 K HN 0.817 nan 8.250 nan 0.000 0.478 241 G N 1.913 110.670 108.800 -0.072 0.000 2.234 241 G HA2 -0.275 3.686 3.960 0.001 0.000 0.235 241 G HA3 -0.275 3.686 3.960 0.001 0.000 0.235 241 G C 0.085 174.937 174.900 -0.079 0.000 0.997 241 G CA 0.141 45.193 45.100 -0.081 0.000 0.623 241 G HN 0.965 nan 8.290 nan 0.000 0.514 242 V N -1.280 118.593 119.914 -0.068 0.000 2.656 242 V HA 0.701 4.821 4.120 0.001 0.000 0.312 242 V C 0.873 176.944 176.094 -0.038 0.000 1.181 242 V CA 0.887 63.154 62.300 -0.055 0.000 1.250 242 V CB -0.202 31.591 31.823 -0.050 0.000 1.468 242 V HN 0.821 nan 8.190 nan 0.000 0.651 243 T N -2.326 112.210 114.554 -0.030 0.000 3.023 243 T HA 0.540 4.890 4.350 0.001 0.000 0.253 243 T C 0.887 175.597 174.700 0.017 0.000 1.038 243 T CA 0.645 62.744 62.100 -0.002 0.000 0.962 243 T CB 0.580 69.449 68.868 0.001 0.000 1.018 243 T HN 1.094 nan 8.240 nan 0.000 0.521 244 A N 2.547 125.355 122.820 -0.020 0.000 2.401 244 A HA 0.464 4.784 4.320 0.001 0.000 0.259 244 A C 1.242 178.798 177.584 -0.046 0.000 1.103 244 A CA -0.733 51.279 52.037 -0.041 0.000 0.789 244 A CB -0.010 18.917 19.000 -0.121 0.000 1.035 244 A HN 0.647 nan 8.150 nan 0.000 0.491 245 W N 2.557 123.845 121.300 -0.020 0.000 2.392 245 W HA -0.133 4.528 4.660 0.001 0.000 0.279 245 W C 0.010 176.509 176.519 -0.033 0.000 1.225 245 W CA 1.351 58.686 57.345 -0.017 0.000 1.233 245 W CB -0.504 28.949 29.460 -0.011 0.000 1.122 245 W HN 0.754 nan 8.180 nan 0.000 0.561 246 D N 0.258 120.146 120.400 -0.853 0.000 2.339 246 D HA -0.051 4.589 4.640 0.001 0.000 0.217 246 D C -0.272 175.765 176.300 -0.439 0.000 1.050 246 D CA 0.005 53.472 54.000 -0.889 0.000 0.856 246 D CB -0.908 39.029 40.800 -1.440 0.000 0.922 246 D HN -0.151 nan 8.370 nan 0.000 0.518 247 D N 2.087 122.320 120.400 -0.279 0.000 2.412 247 D HA 0.021 4.662 4.640 0.001 0.000 0.257 247 D C -1.331 174.855 176.300 -0.190 0.000 1.217 247 D CA -1.212 52.680 54.000 -0.181 0.000 0.897 247 D CB 1.563 42.305 40.800 -0.097 0.000 1.132 247 D HN 0.058 nan 8.370 nan 0.000 0.493 248 P HA -0.084 nan 4.420 nan 0.000 0.218 248 P C -0.538 176.493 177.300 -0.450 0.000 1.149 248 P CA 1.072 63.882 63.100 -0.483 0.000 0.817 248 P CB 0.218 31.422 31.700 -0.825 0.000 0.785 249 Y N -0.968 119.385 120.300 0.087 0.000 2.376 249 Y HA 0.508 5.059 4.550 0.001 0.000 0.340 249 Y C 0.839 176.754 175.900 0.025 0.000 0.965 249 Y CA -1.119 57.036 58.100 0.093 0.000 1.078 249 Y CB 1.624 40.180 38.460 0.160 0.000 1.193 249 Y HN -0.300 nan 8.280 nan 0.000 0.452 250 K N 0.632 121.111 120.400 0.131 0.000 1.995 250 K HA 0.791 5.111 4.320 0.001 0.000 0.244 250 K C 0.241 176.811 176.600 -0.051 0.000 1.045 250 K CA -0.699 55.593 56.287 0.009 0.000 0.905 250 K CB 1.407 33.888 32.500 -0.032 0.000 1.543 250 K HN 0.785 nan 8.250 nan 0.000 0.609 251 G N 0.853 109.579 108.800 -0.124 0.000 2.601 251 G HA2 -0.353 3.607 3.960 0.001 0.000 0.261 251 G HA3 -0.353 3.607 3.960 0.001 0.000 0.261 251 G C 0.240 175.081 174.900 -0.098 0.000 1.289 251 G CA 0.640 45.644 45.100 -0.161 0.000 0.920 251 G HN 0.774 nan 8.290 nan 0.000 0.571 252 N N -0.836 117.847 118.700 -0.028 0.000 2.120 252 N HA -0.049 4.692 4.740 0.001 0.000 0.188 252 N C 2.130 177.613 175.510 -0.045 0.000 1.024 252 N CA 1.637 54.716 53.050 0.047 0.000 0.852 252 N CB -0.159 38.564 38.487 0.394 0.000 1.003 252 N HN 0.368 nan 8.380 nan 0.000 0.424 253 F N 1.297 121.020 119.950 -0.379 0.000 2.102 253 F HA -0.012 4.516 4.527 0.001 0.000 0.298 253 F C 2.633 178.023 175.800 -0.683 0.000 1.105 253 F CA 0.934 58.533 58.000 -0.668 0.000 1.239 253 F CB -1.341 37.333 39.000 -0.543 0.000 0.991 253 F HN 0.040 nan 8.300 nan 0.000 0.474 254 G N -0.842 107.880 108.800 -0.131 0.000 2.446 254 G HA2 -0.241 3.719 3.960 0.001 0.000 0.217 254 G HA3 -0.241 3.719 3.960 0.001 0.000 0.217 254 G C 1.575 176.345 174.900 -0.217 0.000 1.168 254 G CA 0.575 45.627 45.100 -0.080 0.000 0.771 254 G HN 0.353 nan 8.290 nan 0.000 0.551 255 Q N -0.293 119.369 119.800 -0.231 0.000 2.124 255 Q HA 0.027 4.367 4.340 0.001 0.000 0.202 255 Q C 2.673 178.456 176.000 -0.362 0.000 0.977 255 Q CA 0.808 56.455 55.803 -0.260 0.000 0.850 255 Q CB -0.227 28.375 28.738 -0.228 0.000 0.901 255 Q HN 0.461 nan 8.270 nan 0.000 0.429 256 L N -0.189 120.712 121.223 -0.536 0.000 2.141 256 L HA -0.179 4.161 4.340 0.001 0.000 0.209 256 L C 2.398 178.851 176.870 -0.695 0.000 1.094 256 L CA 0.882 55.327 54.840 -0.659 0.000 0.763 256 L CB -0.298 41.226 42.059 -0.892 0.000 0.908 256 L HN 0.293 nan 8.230 nan 0.000 0.437 257 M N -0.627 118.485 119.600 -0.813 0.000 2.086 257 M HA -0.195 4.285 4.480 0.001 0.000 0.261 257 M C 2.535 178.670 176.300 -0.274 0.000 1.067 257 M CA 2.006 57.015 55.300 -0.486 0.000 1.116 257 M CB -0.501 31.906 32.600 -0.321 0.000 1.348 257 M HN 0.318 nan 8.290 nan 0.000 0.407 258 A N 0.037 122.698 122.820 -0.265 0.000 1.930 258 A HA -0.123 4.198 4.320 0.001 0.000 0.217 258 A C 2.079 179.564 177.584 -0.165 0.000 1.175 258 A CA 1.164 53.079 52.037 -0.204 0.000 0.627 258 A CB -0.779 18.105 19.000 -0.192 0.000 0.815 258 A HN 0.405 nan 8.150 nan 0.000 0.443 259 L N -0.292 120.829 121.223 -0.170 0.000 2.042 259 L HA -0.156 4.184 4.340 0.001 0.000 0.210 259 L C 2.264 179.111 176.870 -0.037 0.000 1.076 259 L CA 2.472 57.264 54.840 -0.080 0.000 0.749 259 L CB -0.417 41.576 42.059 -0.110 0.000 0.893 259 L HN 0.322 nan 8.230 nan 0.000 0.432 260 K N -0.956 119.391 120.400 -0.089 0.000 2.148 260 K HA -0.140 4.180 4.320 0.001 0.000 0.204 260 K C 2.078 178.645 176.600 -0.055 0.000 1.050 260 K CA 1.154 57.415 56.287 -0.043 0.000 0.942 260 K CB -0.120 32.357 32.500 -0.038 0.000 0.724 260 K HN 0.349 nan 8.250 nan 0.000 0.446 261 Q N -0.506 119.239 119.800 -0.092 0.000 2.124 261 Q HA -0.050 4.290 4.340 0.001 0.000 0.202 261 Q C 2.012 177.931 176.000 -0.134 0.000 0.977 261 Q CA 1.591 57.332 55.803 -0.103 0.000 0.850 261 Q CB -0.274 28.393 28.738 -0.119 0.000 0.901 261 Q HN 0.400 nan 8.270 nan 0.000 0.429 262 A N 0.290 123.004 122.820 -0.176 0.000 1.975 262 A HA -0.067 4.253 4.320 0.001 0.000 0.215 262 A C 0.695 177.963 177.584 -0.527 0.000 1.170 262 A CA 0.654 52.487 52.037 -0.339 0.000 0.656 262 A CB -0.007 18.767 19.000 -0.377 0.000 0.821 262 A HN 0.265 nan 8.150 nan 0.000 0.449 263 H N -0.716 118.318 119.070 -0.060 0.000 2.348 263 H HA 0.204 4.760 4.556 0.001 0.000 0.232 263 H C -2.098 173.202 175.328 -0.047 0.000 1.419 263 H CA -1.512 54.507 56.048 -0.048 0.000 1.416 263 H CB 0.649 30.383 29.762 -0.047 0.000 1.510 263 H HN 0.337 nan 8.280 nan 0.000 0.507 264 P HA -0.102 nan 4.420 nan 0.000 0.222 264 P C 0.679 177.980 177.300 0.001 0.000 1.147 264 P CA 0.973 64.070 63.100 -0.004 0.000 0.790 264 P CB 0.604 32.289 31.700 -0.024 0.000 0.780 265 D N -0.721 119.690 120.400 0.018 0.000 2.339 265 D HA 0.048 4.689 4.640 0.001 0.000 0.217 265 D C 0.841 177.133 176.300 -0.014 0.000 1.050 265 D CA -0.107 53.894 54.000 0.003 0.000 0.856 265 D CB -0.091 40.717 40.800 0.014 0.000 0.922 265 D HN 0.160 nan 8.370 nan 0.000 0.518 266 L N 1.988 123.214 121.223 0.004 0.000 2.455 266 L HA 0.062 4.402 4.340 0.001 0.000 0.272 266 L C -0.011 176.812 176.870 -0.077 0.000 1.174 266 L CA -0.046 54.768 54.840 -0.043 0.000 0.869 266 L CB 0.415 42.459 42.059 -0.025 0.000 1.130 266 L HN -0.326 nan 8.230 nan 0.000 0.474 267 K N 7.548 127.842 120.400 -0.177 0.000 2.262 267 K HA 0.389 4.710 4.320 0.001 0.000 0.282 267 K C -0.708 175.866 176.600 -0.044 0.000 1.066 267 K CA -0.055 56.134 56.287 -0.164 0.000 0.901 267 K CB 0.846 33.122 32.500 -0.373 0.000 1.089 267 K HN 0.596 nan 8.250 nan 0.000 0.476 268 I N 4.905 125.517 120.570 0.070 0.000 2.328 268 I HA 0.279 4.449 4.170 0.001 0.000 0.287 268 I C -0.140 176.190 176.117 0.356 0.000 1.012 268 I CA -0.663 60.751 61.300 0.190 0.000 1.195 268 I CB 0.679 38.784 38.000 0.174 0.000 1.350 268 I HN 0.240 nan 8.210 nan 0.000 0.464 269 L N 8.403 129.813 121.223 0.312 0.000 2.322 269 L HA 0.510 4.850 4.340 0.001 0.000 0.281 269 L C -2.316 174.628 176.870 0.122 0.000 1.014 269 L CA -1.974 53.007 54.840 0.235 0.000 0.815 269 L CB 1.989 44.182 42.059 0.223 0.000 1.247 269 L HN 0.291 nan 8.230 nan 0.000 0.421 270 P HA 0.097 nan 4.420 nan 0.000 0.276 270 P C -0.727 176.588 177.300 0.025 0.000 1.243 270 P CA -0.268 62.599 63.100 -0.387 0.000 0.768 270 P CB 1.223 32.342 31.700 -0.968 0.000 0.856 271 S N 3.896 119.748 115.700 0.252 0.000 2.422 271 S HA 0.392 4.862 4.470 0.001 0.000 0.298 271 S C 0.493 175.415 174.600 0.537 0.000 1.118 271 S CA -0.521 57.947 58.200 0.447 0.000 1.083 271 S CB -0.162 63.444 63.200 0.677 0.000 0.971 271 S HN 0.304 nan 8.310 nan 0.000 0.478 272 I N 3.590 124.420 120.570 0.435 0.000 2.315 272 I HA 0.589 4.760 4.170 0.001 0.000 0.291 272 I C 1.051 177.438 176.117 0.450 0.000 1.006 272 I CA -0.020 61.519 61.300 0.398 0.000 1.265 272 I CB 0.705 38.933 38.000 0.379 0.000 1.387 272 I HN 0.874 nan 8.210 nan 0.000 0.475 273 G N 4.306 113.257 108.800 0.251 0.000 2.785 273 G HA2 0.281 4.242 3.960 0.001 0.000 0.218 273 G HA3 0.281 4.242 3.960 0.001 0.000 0.218 273 G C 0.091 174.652 174.900 -0.565 0.000 1.251 273 G CA -0.007 45.142 45.100 0.082 0.000 1.129 273 G HN 1.535 nan 8.290 nan 0.000 0.573 274 G N -1.981 106.454 108.800 -0.608 0.000 2.685 274 G HA2 0.008 3.969 3.960 0.001 0.000 0.387 274 G HA3 0.008 3.969 3.960 0.001 0.000 0.387 274 G C 0.869 175.546 174.900 -0.371 0.000 1.324 274 G CA 0.568 45.103 45.100 -0.941 0.000 0.878 274 G HN 1.930 nan 8.290 nan 0.000 0.527 275 W N 0.157 121.211 121.300 -0.410 0.000 2.318 275 W HA -0.203 4.458 4.660 0.001 0.000 0.313 275 W C 2.445 178.865 176.519 -0.164 0.000 1.221 275 W CA 3.469 60.665 57.345 -0.248 0.000 1.266 275 W CB -0.448 28.907 29.460 -0.175 0.000 1.150 275 W HN 1.018 nan 8.180 nan 0.000 0.496 276 T N -2.026 112.467 114.554 -0.102 0.000 3.069 276 T HA 0.155 4.506 4.350 0.001 0.000 0.252 276 T C 1.317 175.941 174.700 -0.127 0.000 1.053 276 T CA 0.087 62.109 62.100 -0.129 0.000 0.964 276 T CB -0.360 68.511 68.868 0.005 0.000 1.005 276 T HN 0.124 nan 8.240 nan 0.000 0.532 277 L N 0.601 121.724 121.223 -0.165 0.000 3.014 277 L HA 0.411 4.752 4.340 0.001 0.000 0.263 277 L C 1.742 178.512 176.870 -0.166 0.000 1.207 277 L CA -0.141 54.602 54.840 -0.160 0.000 1.017 277 L CB 0.427 42.404 42.059 -0.137 0.000 1.360 277 L HN 0.158 nan 8.230 nan 0.000 0.560 278 S N -0.493 115.143 115.700 -0.106 0.000 2.501 278 S HA -0.063 4.407 4.470 0.001 0.000 0.220 278 S C 1.180 175.792 174.600 0.020 0.000 0.997 278 S CA 0.256 58.478 58.200 0.036 0.000 0.919 278 S CB 0.064 63.305 63.200 0.068 0.000 0.778 278 S HN 0.390 nan 8.310 nan 0.000 0.523 279 D N 2.212 122.659 120.400 0.079 0.000 2.149 279 D HA -0.096 4.544 4.640 0.001 0.000 0.194 279 D C -0.936 175.551 176.300 0.312 0.000 1.001 279 D CA 1.322 55.502 54.000 0.300 0.000 0.849 279 D CB -1.526 39.379 40.800 0.174 0.000 0.939 279 D HN 0.344 nan 8.370 nan 0.000 0.449 280 P HA -0.071 nan 4.420 nan 0.000 0.222 280 P C 1.136 178.384 177.300 -0.086 0.000 1.147 280 P CA 0.661 63.794 63.100 0.056 0.000 0.790 280 P CB -0.125 31.355 31.700 -0.367 0.000 0.780 281 F N -1.680 117.934 119.950 -0.560 0.000 2.202 281 F HA -0.124 4.403 4.527 0.001 0.000 0.301 281 F C 1.825 176.961 175.800 -1.107 0.000 1.082 281 F CA 1.202 58.455 58.000 -1.245 0.000 1.313 281 F CB -1.530 35.990 39.000 -2.467 0.000 1.024 281 F HN -0.134 nan 8.300 nan 0.000 0.495 282 F N -1.632 118.102 119.950 -0.359 0.000 2.494 282 F HA -0.122 4.406 4.527 0.001 0.000 0.298 282 F C 1.623 177.148 175.800 -0.459 0.000 1.106 282 F CA 0.841 58.681 58.000 -0.268 0.000 1.452 282 F CB -1.081 37.759 39.000 -0.267 0.000 1.085 282 F HN -0.079 nan 8.300 nan 0.000 0.569 283 F N -1.712 118.239 119.950 0.002 0.000 2.749 283 F HA 0.132 4.659 4.527 0.001 0.000 0.300 283 F C 1.865 177.509 175.800 -0.260 0.000 1.103 283 F CA 0.203 58.136 58.000 -0.112 0.000 1.342 283 F CB -0.590 38.317 39.000 -0.156 0.000 1.098 283 F HN -0.123 nan 8.300 nan 0.000 0.586 284 M N 0.015 119.533 119.600 -0.136 0.000 2.659 284 M HA 0.052 4.532 4.480 0.001 0.000 0.243 284 M C 2.242 178.505 176.300 -0.061 0.000 1.111 284 M CA 0.525 55.728 55.300 -0.162 0.000 1.070 284 M CB -0.560 31.924 32.600 -0.195 0.000 1.525 284 M HN 0.267 nan 8.290 nan 0.000 0.517 285 G N 0.202 108.991 108.800 -0.019 0.000 2.448 285 G HA2 -0.194 3.767 3.960 0.001 0.000 0.219 285 G HA3 -0.194 3.767 3.960 0.001 0.000 0.219 285 G C 0.425 175.318 174.900 -0.012 0.000 1.127 285 G CA 0.364 45.471 45.100 0.013 0.000 0.766 285 G HN 0.379 nan 8.290 nan 0.000 0.552 286 D N 0.108 120.480 120.400 -0.046 0.000 2.344 286 D HA 0.106 4.746 4.640 0.001 0.000 0.253 286 D C 1.474 177.735 176.300 -0.065 0.000 1.255 286 D CA -0.186 53.779 54.000 -0.058 0.000 0.894 286 D CB 0.754 41.502 40.800 -0.088 0.000 1.067 286 D HN 0.173 nan 8.370 nan 0.000 0.492 287 K N 2.577 122.960 120.400 -0.029 0.000 2.160 287 K HA -0.137 4.184 4.320 0.001 0.000 0.206 287 K C 1.634 178.222 176.600 -0.020 0.000 1.047 287 K CA 0.918 57.196 56.287 -0.015 0.000 0.930 287 K CB 0.183 32.683 32.500 0.001 0.000 0.720 287 K HN 0.335 nan 8.250 nan 0.000 0.450 288 V N 1.499 121.394 119.914 -0.031 0.000 2.255 288 V HA -0.311 3.810 4.120 0.001 0.000 0.247 288 V C 2.113 178.181 176.094 -0.043 0.000 1.051 288 V CA 2.049 64.332 62.300 -0.027 0.000 1.018 288 V CB -0.389 31.419 31.823 -0.026 0.000 0.641 288 V HN 0.378 nan 8.190 nan 0.000 0.445 289 K N -0.386 119.938 120.400 -0.126 0.000 2.057 289 K HA -0.170 4.150 4.320 0.001 0.000 0.206 289 K C 2.404 178.961 176.600 -0.072 0.000 1.050 289 K CA 1.405 57.561 56.287 -0.218 0.000 0.935 289 K CB -0.249 31.846 32.500 -0.675 0.000 0.715 289 K HN 0.293 nan 8.250 nan 0.000 0.439 290 R N 1.241 121.709 120.500 -0.054 0.000 2.081 290 R HA -0.151 4.189 4.340 0.001 0.000 0.235 290 R C 1.486 177.862 176.300 0.127 0.000 1.131 290 R CA 1.816 57.952 56.100 0.060 0.000 0.960 290 R CB -0.030 30.291 30.300 0.036 0.000 0.856 290 R HN 0.112 nan 8.270 nan 0.000 0.436 291 D N -0.122 120.316 120.400 0.063 0.000 2.123 291 D HA -0.202 4.438 4.640 0.001 0.000 0.196 291 D C 1.861 178.196 176.300 0.059 0.000 0.992 291 D CA 1.123 55.153 54.000 0.051 0.000 0.833 291 D CB -0.231 40.585 40.800 0.027 0.000 0.954 291 D HN 0.241 nan 8.370 nan 0.000 0.455 292 R N -0.479 120.067 120.500 0.076 0.000 2.081 292 R HA -0.157 4.184 4.340 0.001 0.000 0.235 292 R C 2.295 178.670 176.300 0.125 0.000 1.131 292 R CA 0.898 57.053 56.100 0.091 0.000 0.960 292 R CB -0.481 29.884 30.300 0.110 0.000 0.856 292 R HN 0.172 nan 8.270 nan 0.000 0.436 293 F N 0.994 120.961 119.950 0.027 0.000 2.046 293 F HA -0.217 4.310 4.527 0.001 0.000 0.297 293 F C 1.991 177.796 175.800 0.008 0.000 1.123 293 F CA 1.717 59.727 58.000 0.017 0.000 1.199 293 F CB -0.691 38.314 39.000 0.008 0.000 0.972 293 F HN -0.197 nan 8.300 nan 0.000 0.474 294 V N 0.871 120.686 119.914 -0.165 0.000 2.282 294 V HA -0.307 3.813 4.120 0.001 0.000 0.249 294 V C 2.791 178.766 176.094 -0.199 0.000 1.057 294 V CA 2.102 64.255 62.300 -0.245 0.000 1.032 294 V CB -1.815 29.985 31.823 -0.039 0.000 0.645 294 V HN 0.603 nan 8.190 nan 0.000 0.447 295 G N -0.050 108.692 108.800 -0.096 0.000 2.442 295 G HA2 -0.296 3.664 3.960 0.001 0.000 0.219 295 G HA3 -0.296 3.664 3.960 0.001 0.000 0.219 295 G C 1.848 176.705 174.900 -0.071 0.000 1.141 295 G CA 1.426 46.488 45.100 -0.064 0.000 0.763 295 G HN 0.669 nan 8.290 nan 0.000 0.554 296 S N -0.066 115.577 115.700 -0.095 0.000 2.428 296 S HA -0.009 4.462 4.470 0.001 0.000 0.230 296 S C 2.244 176.794 174.600 -0.085 0.000 1.014 296 S CA 1.191 59.362 58.200 -0.049 0.000 0.957 296 S CB -0.145 63.044 63.200 -0.017 0.000 0.784 296 S HN 0.093 nan 8.310 nan 0.000 0.499 297 V N 2.170 121.916 119.914 -0.280 0.000 2.358 297 V HA -0.110 4.011 4.120 0.001 0.000 0.246 297 V C 2.775 178.830 176.094 -0.066 0.000 1.047 297 V CA 2.022 64.169 62.300 -0.254 0.000 1.035 297 V CB -0.728 30.817 31.823 -0.463 0.000 0.658 297 V HN 0.543 nan 8.190 nan 0.000 0.452 298 K N 0.126 120.465 120.400 -0.102 0.000 2.032 298 K HA -0.284 4.037 4.320 0.001 0.000 0.209 298 K C 2.275 178.864 176.600 -0.018 0.000 1.048 298 K CA 2.207 58.447 56.287 -0.079 0.000 0.927 298 K CB -0.196 32.251 32.500 -0.088 0.000 0.712 298 K HN 0.570 nan 8.250 nan 0.000 0.441 299 E N -0.417 119.794 120.200 0.018 0.000 2.110 299 E HA -0.208 4.143 4.350 0.001 0.000 0.193 299 E C 1.914 178.577 176.600 0.105 0.000 0.988 299 E CA 0.962 57.388 56.400 0.043 0.000 0.804 299 E CB -0.173 29.565 29.700 0.064 0.000 0.745 299 E HN 0.355 nan 8.360 nan 0.000 0.458 300 F N 1.100 121.075 119.950 0.042 0.000 2.134 300 F HA -0.140 4.388 4.527 0.001 0.000 0.299 300 F C 1.920 177.809 175.800 0.147 0.000 1.097 300 F CA 1.253 59.356 58.000 0.171 0.000 1.264 300 F CB 0.024 39.119 39.000 0.159 0.000 1.001 300 F HN 0.001 nan 8.300 nan 0.000 0.479 301 L N -0.463 120.893 121.223 0.222 0.000 2.217 301 L HA -0.157 4.183 4.340 0.001 0.000 0.211 301 L C 2.286 179.157 176.870 0.002 0.000 1.107 301 L CA 0.949 55.858 54.840 0.116 0.000 0.783 301 L CB -0.666 41.414 42.059 0.035 0.000 0.919 301 L HN 0.181 nan 8.230 nan 0.000 0.442 302 Q N -0.792 118.980 119.800 -0.047 0.000 2.230 302 Q HA -0.121 4.220 4.340 0.001 0.000 0.202 302 Q C 2.057 177.955 176.000 -0.171 0.000 0.963 302 Q CA 1.682 57.438 55.803 -0.078 0.000 0.866 302 Q CB 0.017 28.713 28.738 -0.069 0.000 0.931 302 Q HN 0.447 nan 8.270 nan 0.000 0.452 303 T N -0.714 113.660 114.554 -0.300 0.000 2.894 303 T HA -0.066 4.285 4.350 0.001 0.000 0.258 303 T C -0.192 174.018 174.700 -0.816 0.000 1.043 303 T CA 0.682 62.406 62.100 -0.627 0.000 1.141 303 T CB -0.021 68.348 68.868 -0.832 0.000 0.873 303 T HN 0.297 nan 8.240 nan 0.000 0.449 304 W N 2.367 123.507 121.300 -0.266 0.000 2.351 304 W HA 0.482 5.142 4.660 0.001 0.000 0.320 304 W C 0.839 177.130 176.519 -0.380 0.000 0.947 304 W CA -0.994 56.124 57.345 -0.380 0.000 1.565 304 W CB 0.448 29.520 29.460 -0.647 0.000 1.409 304 W HN -0.029 nan 8.180 nan 0.000 0.399 305 K N 1.238 121.621 120.400 -0.029 0.000 2.432 305 K HA -0.089 4.231 4.320 0.001 0.000 0.196 305 K C 1.579 178.185 176.600 0.010 0.000 1.038 305 K CA 0.841 57.136 56.287 0.013 0.000 0.986 305 K CB -0.090 32.437 32.500 0.045 0.000 0.782 305 K HN 0.555 nan 8.250 nan 0.000 0.485 306 F N -0.256 119.627 119.950 -0.112 0.000 2.451 306 F HA 0.084 4.611 4.527 0.001 0.000 0.299 306 F C 0.389 176.077 175.800 -0.186 0.000 1.101 306 F CA -0.228 57.646 58.000 -0.210 0.000 1.436 306 F CB -0.500 38.280 39.000 -0.366 0.000 1.074 306 F HN -0.290 nan 8.300 nan 0.000 0.553 307 F N 2.279 121.874 119.950 -0.591 0.000 2.429 307 F HA 0.189 4.716 4.527 0.001 0.000 0.348 307 F C 1.046 176.835 175.800 -0.018 0.000 1.109 307 F CA -0.834 56.973 58.000 -0.323 0.000 1.232 307 F CB 0.336 39.126 39.000 -0.350 0.000 1.157 307 F HN 0.010 nan 8.300 nan 0.000 0.564 308 D N 1.833 122.391 120.400 0.262 0.000 2.424 308 D HA 0.338 4.979 4.640 0.001 0.000 0.220 308 D C 0.937 177.418 176.300 0.301 0.000 1.150 308 D CA 0.402 54.489 54.000 0.144 0.000 0.831 308 D CB 0.553 41.372 40.800 0.031 0.000 0.981 308 D HN 0.736 nan 8.370 nan 0.000 0.500 309 G N -0.402 108.642 108.800 0.406 0.000 2.373 309 G HA2 0.188 4.148 3.960 0.001 0.000 0.250 309 G HA3 0.188 4.148 3.960 0.001 0.000 0.250 309 G C -1.911 173.093 174.900 0.174 0.000 1.304 309 G CA -0.211 45.093 45.100 0.339 0.000 0.948 309 G HN 0.141 nan 8.290 nan 0.000 0.474 310 V N 0.356 120.356 119.914 0.143 0.000 2.891 310 V HA 0.680 4.800 4.120 0.001 0.000 0.304 310 V C -1.928 174.263 176.094 0.162 0.000 1.171 310 V CA -0.218 62.139 62.300 0.096 0.000 0.943 310 V CB 2.063 33.909 31.823 0.037 0.000 1.037 310 V HN 1.115 nan 8.190 nan 0.000 0.427 311 D N 5.475 125.993 120.400 0.197 0.000 2.308 311 D HA 0.493 5.133 4.640 0.001 0.000 0.242 311 D C -0.817 175.663 176.300 0.300 0.000 1.059 311 D CA -0.386 53.782 54.000 0.281 0.000 0.830 311 D CB 1.307 42.311 40.800 0.340 0.000 1.161 311 D HN 0.396 nan 8.370 nan 0.000 0.494 312 I N 3.611 124.341 120.570 0.267 0.000 2.312 312 I HA 0.217 4.388 4.170 0.001 0.000 0.290 312 I C -0.168 176.071 176.117 0.204 0.000 1.008 312 I CA -0.315 61.118 61.300 0.223 0.000 1.226 312 I CB 1.412 39.465 38.000 0.088 0.000 1.371 312 I HN 0.479 nan 8.210 nan 0.000 0.468 313 D N 7.157 127.686 120.400 0.215 0.000 2.551 313 D HA 0.047 4.687 4.640 0.001 0.000 0.294 313 D C -0.825 175.506 176.300 0.052 0.000 1.201 313 D CA -0.338 53.787 54.000 0.209 0.000 0.941 313 D CB 0.580 41.577 40.800 0.328 0.000 0.995 313 D HN 0.401 nan 8.370 nan 0.000 0.502 314 W N 3.009 124.078 121.300 -0.385 0.000 2.387 314 W HA 0.285 4.946 4.660 0.001 0.000 0.310 314 W C -0.576 175.719 176.519 -0.373 0.000 1.181 314 W CA -0.944 56.015 57.345 -0.644 0.000 1.333 314 W CB 0.182 29.012 29.460 -1.049 0.000 1.286 314 W HN 0.129 nan 8.180 nan 0.000 0.455 315 E N 6.606 126.767 120.200 -0.064 0.000 2.173 315 E HA 0.317 4.668 4.350 0.001 0.000 0.249 315 E C -1.365 174.929 176.600 -0.511 0.000 0.923 315 E CA -0.324 55.564 56.400 -0.853 0.000 0.754 315 E CB 0.659 29.754 29.700 -1.008 0.000 1.177 315 E HN 0.144 nan 8.360 nan 0.000 0.430 316 F N 1.428 121.516 119.950 0.230 0.000 2.613 316 F HA 0.363 4.890 4.527 0.001 0.000 0.310 316 F C -2.374 173.131 175.800 -0.493 0.000 1.085 316 F CA -2.913 54.992 58.000 -0.158 0.000 0.945 316 F CB 1.368 40.332 39.000 -0.060 0.000 1.298 316 F HN 0.144 nan 8.300 nan 0.000 0.455 317 P HA 0.197 nan 4.420 nan 0.000 0.262 317 P C 0.666 177.845 177.300 -0.201 0.000 1.182 317 P CA 1.378 63.908 63.100 -0.949 0.000 0.761 317 P CB 0.463 31.485 31.700 -1.129 0.000 0.795 318 G N 1.791 110.642 108.800 0.084 0.000 2.213 318 G HA2 0.056 4.016 3.960 0.001 0.000 0.236 318 G HA3 0.056 4.016 3.960 0.001 0.000 0.236 318 G C 0.543 175.541 174.900 0.163 0.000 0.991 318 G CA 0.103 45.260 45.100 0.095 0.000 0.629 318 G HN 1.024 nan 8.290 nan 0.000 0.517 319 G N -0.339 108.662 108.800 0.334 0.000 2.512 319 G HA2 0.321 4.281 3.960 0.001 0.000 0.210 319 G HA3 0.321 4.281 3.960 0.001 0.000 0.210 319 G C 0.336 175.387 174.900 0.252 0.000 1.295 319 G CA 0.682 45.904 45.100 0.203 0.000 0.934 319 G HN 1.603 nan 8.290 nan 0.000 0.554 320 K N -1.683 118.807 120.400 0.149 0.000 3.341 320 K HA -0.107 4.214 4.320 0.001 0.000 0.305 320 K C 1.300 178.120 176.600 0.366 0.000 1.270 320 K CA 2.658 59.068 56.287 0.206 0.000 0.897 320 K CB -1.848 30.761 32.500 0.182 0.000 1.264 320 K HN 1.876 nan 8.250 nan 0.000 0.468 321 G N -0.576 108.348 108.800 0.205 0.000 2.504 321 G HA2 0.457 4.418 3.960 0.001 0.000 0.257 321 G HA3 0.457 4.418 3.960 0.001 0.000 0.257 321 G C 1.284 175.802 174.900 -0.637 0.000 1.451 321 G CA 0.046 44.983 45.100 -0.271 0.000 1.059 321 G HN 0.249 nan 8.290 nan 0.000 0.550 322 A N -0.681 121.315 122.820 -1.374 0.000 1.940 322 A HA -0.049 4.271 4.320 0.001 0.000 0.219 322 A C 1.530 178.928 177.584 -0.310 0.000 1.176 322 A CA 1.206 52.718 52.037 -0.876 0.000 0.631 322 A CB -0.453 17.906 19.000 -1.069 0.000 0.814 322 A HN 0.461 nan 8.150 nan 0.000 0.446 323 N N 0.275 118.803 118.700 -0.285 0.000 2.420 323 N HA 0.199 4.940 4.740 0.001 0.000 0.249 323 N C -2.037 173.371 175.510 -0.170 0.000 1.033 323 N CA -1.823 51.114 53.050 -0.188 0.000 0.944 323 N CB 1.406 39.779 38.487 -0.190 0.000 1.113 323 N HN 0.098 nan 8.380 nan 0.000 0.502 324 P HA 0.011 nan 4.420 nan 0.000 0.230 324 P C 0.053 177.289 177.300 -0.107 0.000 1.158 324 P CA 0.746 63.800 63.100 -0.077 0.000 0.769 324 P CB 0.538 32.218 31.700 -0.033 0.000 0.807 325 N N -0.501 118.117 118.700 -0.137 0.000 2.230 325 N HA 0.174 4.915 4.740 0.001 0.000 0.202 325 N C 0.373 175.748 175.510 -0.224 0.000 1.119 325 N CA 0.192 53.159 53.050 -0.138 0.000 0.851 325 N CB 0.760 39.192 38.487 -0.092 0.000 0.990 325 N HN 0.268 nan 8.380 nan 0.000 0.497 326 L N -0.480 120.517 121.223 -0.377 0.000 2.341 326 L HA 0.738 5.078 4.340 0.001 0.000 0.267 326 L C 0.163 176.608 176.870 -0.709 0.000 1.009 326 L CA -0.839 53.598 54.840 -0.672 0.000 0.819 326 L CB 2.274 43.685 42.059 -1.080 0.000 1.323 326 L HN 0.035 nan 8.230 nan 0.000 0.425 327 G N 0.787 109.241 108.800 -0.576 0.000 2.957 327 G HA2 0.238 4.198 3.960 0.001 0.000 0.636 327 G HA3 0.238 4.198 3.960 0.001 0.000 0.636 327 G C -1.308 173.587 174.900 -0.009 0.000 1.401 327 G CA -0.124 44.905 45.100 -0.119 0.000 0.941 327 G HN 0.723 nan 8.290 nan 0.000 0.610 328 S N 3.011 118.774 115.700 0.105 0.000 2.588 328 S HA 0.878 5.348 4.470 0.001 0.000 0.275 328 S C -1.893 172.739 174.600 0.054 0.000 1.130 328 S CA -0.812 57.421 58.200 0.055 0.000 0.855 328 S CB 2.337 65.569 63.200 0.053 0.000 1.116 328 S HN 0.318 nan 8.310 nan 0.000 0.472 329 P HA -0.059 nan 4.420 nan 0.000 0.225 329 P C 1.056 178.361 177.300 0.009 0.000 1.148 329 P CA 0.890 63.993 63.100 0.005 0.000 0.779 329 P CB 0.056 31.754 31.700 -0.003 0.000 0.780 330 Q N -0.226 119.594 119.800 0.033 0.000 2.378 330 Q HA -0.109 4.231 4.340 0.001 0.000 0.205 330 Q C 1.124 177.167 176.000 0.073 0.000 0.954 330 Q CA 0.700 56.529 55.803 0.045 0.000 0.901 330 Q CB -0.198 28.572 28.738 0.053 0.000 0.981 330 Q HN 0.140 nan 8.270 nan 0.000 0.483 331 D N -0.169 120.287 120.400 0.093 0.000 2.149 331 D HA -0.143 4.498 4.640 0.001 0.000 0.198 331 D C 1.636 177.914 176.300 -0.037 0.000 0.990 331 D CA 1.400 55.477 54.000 0.129 0.000 0.839 331 D CB -0.413 40.437 40.800 0.084 0.000 0.948 331 D HN 0.468 nan 8.370 nan 0.000 0.460 332 G N 0.570 109.303 108.800 -0.111 0.000 2.422 332 G HA2 -0.279 3.681 3.960 0.001 0.000 0.218 332 G HA3 -0.279 3.681 3.960 0.001 0.000 0.218 332 G C 1.453 176.327 174.900 -0.044 0.000 1.146 332 G CA 0.663 45.659 45.100 -0.173 0.000 0.769 332 G HN 0.320 nan 8.290 nan 0.000 0.547 333 E N -0.000 120.201 120.200 0.002 0.000 2.047 333 E HA -0.116 4.234 4.350 0.001 0.000 0.191 333 E C 2.547 179.201 176.600 0.090 0.000 0.987 333 E CA 1.397 57.818 56.400 0.034 0.000 0.799 333 E CB -0.155 29.561 29.700 0.027 0.000 0.752 333 E HN 0.338 nan 8.360 nan 0.000 0.449 334 T N 0.407 115.045 114.554 0.141 0.000 2.665 334 T HA -0.239 4.112 4.350 0.001 0.000 0.268 334 T C 1.528 176.401 174.700 0.288 0.000 1.035 334 T CA 1.705 63.934 62.100 0.215 0.000 1.151 334 T CB -0.671 68.386 68.868 0.314 0.000 0.862 334 T HN 0.348 nan 8.240 nan 0.000 0.438 335 Y N 1.638 122.043 120.300 0.175 0.000 2.114 335 Y HA -0.210 4.340 4.550 0.001 0.000 0.282 335 Y C 2.353 178.277 175.900 0.040 0.000 1.165 335 Y CA 1.087 59.254 58.100 0.113 0.000 1.148 335 Y CB -0.567 37.775 38.460 -0.197 0.000 0.972 335 Y HN -0.011 nan 8.280 nan 0.000 0.504 336 V N 0.253 120.283 119.914 0.194 0.000 2.358 336 V HA -0.315 3.806 4.120 0.001 0.000 0.246 336 V C 2.411 178.525 176.094 0.033 0.000 1.047 336 V CA 1.967 64.325 62.300 0.097 0.000 1.035 336 V CB -0.729 31.135 31.823 0.068 0.000 0.658 336 V HN 0.437 nan 8.190 nan 0.000 0.452 337 L N -0.840 120.413 121.223 0.050 0.000 2.046 337 L HA -0.182 4.159 4.340 0.001 0.000 0.208 337 L C 2.468 179.357 176.870 0.031 0.000 1.077 337 L CA 1.232 56.095 54.840 0.039 0.000 0.747 337 L CB -0.617 41.471 42.059 0.049 0.000 0.896 337 L HN 0.334 nan 8.230 nan 0.000 0.432 338 L N -0.572 120.673 121.223 0.036 0.000 2.013 338 L HA -0.257 4.084 4.340 0.001 0.000 0.212 338 L C 2.509 179.372 176.870 -0.011 0.000 1.073 338 L CA 1.959 56.823 54.840 0.039 0.000 0.753 338 L CB -0.431 41.662 42.059 0.056 0.000 0.890 338 L HN 0.179 nan 8.230 nan 0.000 0.432 339 M N -0.500 119.035 119.600 -0.109 0.000 2.175 339 M HA -0.199 4.282 4.480 0.001 0.000 0.264 339 M C 2.270 178.553 176.300 -0.029 0.000 1.063 339 M CA 1.737 56.975 55.300 -0.104 0.000 1.119 339 M CB -1.197 31.309 32.600 -0.158 0.000 1.377 339 M HN 0.384 nan 8.290 nan 0.000 0.415 340 K N 0.712 121.104 120.400 -0.013 0.000 2.057 340 K HA -0.179 4.142 4.320 0.001 0.000 0.207 340 K C 1.711 178.315 176.600 0.006 0.000 1.049 340 K CA 1.646 57.935 56.287 0.003 0.000 0.931 340 K CB 0.035 32.540 32.500 0.009 0.000 0.714 340 K HN 0.332 nan 8.250 nan 0.000 0.440 341 E N 0.658 120.866 120.200 0.013 0.000 2.107 341 E HA -0.116 4.234 4.350 0.001 0.000 0.191 341 E C 2.084 178.688 176.600 0.006 0.000 0.982 341 E CA 1.011 57.420 56.400 0.016 0.000 0.809 341 E CB -0.007 29.712 29.700 0.031 0.000 0.756 341 E HN 0.266 nan 8.360 nan 0.000 0.459 342 L N 0.514 121.745 121.223 0.013 0.000 2.046 342 L HA -0.207 4.134 4.340 0.001 0.000 0.208 342 L C 2.641 179.504 176.870 -0.010 0.000 1.077 342 L CA 1.161 55.999 54.840 -0.003 0.000 0.747 342 L CB -0.273 41.798 42.059 0.021 0.000 0.896 342 L HN 0.052 nan 8.230 nan 0.000 0.432 343 R N 0.532 121.032 120.500 -0.000 0.000 2.083 343 R HA -0.173 4.167 4.340 0.001 0.000 0.237 343 R C 2.205 178.504 176.300 -0.001 0.000 1.137 343 R CA 1.763 57.866 56.100 0.004 0.000 0.951 343 R CB -0.501 29.803 30.300 0.006 0.000 0.851 343 R HN 0.324 nan 8.270 nan 0.000 0.434 344 A N 0.628 123.446 122.820 -0.003 0.000 1.930 344 A HA -0.123 4.197 4.320 0.001 0.000 0.217 344 A C 2.209 179.782 177.584 -0.018 0.000 1.175 344 A CA 1.503 53.537 52.037 -0.005 0.000 0.627 344 A CB -0.606 18.393 19.000 -0.002 0.000 0.815 344 A HN 0.497 nan 8.150 nan 0.000 0.443 345 M N -0.092 119.489 119.600 -0.031 0.000 2.117 345 M HA -0.082 4.398 4.480 0.001 0.000 0.262 345 M C 1.841 178.090 176.300 -0.084 0.000 1.065 345 M CA 1.737 57.003 55.300 -0.057 0.000 1.114 345 M CB -0.787 31.770 32.600 -0.072 0.000 1.361 345 M HN 0.420 nan 8.290 nan 0.000 0.408 346 L N -0.122 121.056 121.223 -0.075 0.000 2.156 346 L HA -0.192 4.149 4.340 0.001 0.000 0.208 346 L C 1.952 178.809 176.870 -0.021 0.000 1.095 346 L CA 0.832 55.614 54.840 -0.098 0.000 0.770 346 L CB -0.807 41.237 42.059 -0.026 0.000 0.914 346 L HN 0.206 nan 8.230 nan 0.000 0.439 347 D N -0.413 119.991 120.400 0.006 0.000 2.117 347 D HA -0.205 4.436 4.640 0.001 0.000 0.198 347 D C 2.136 178.449 176.300 0.022 0.000 0.982 347 D CA 0.926 54.944 54.000 0.031 0.000 0.828 347 D CB -0.022 40.792 40.800 0.023 0.000 0.967 347 D HN 0.168 nan 8.370 nan 0.000 0.464 348 Q N 0.420 120.216 119.800 -0.005 0.000 2.061 348 Q HA -0.123 4.218 4.340 0.001 0.000 0.204 348 Q C 2.015 178.006 176.000 -0.015 0.000 0.984 348 Q CA 0.971 56.767 55.803 -0.011 0.000 0.846 348 Q CB -0.620 28.104 28.738 -0.024 0.000 0.902 348 Q HN 0.210 nan 8.270 nan 0.000 0.421 349 L N 0.026 121.208 121.223 -0.068 0.000 2.042 349 L HA -0.131 4.210 4.340 0.001 0.000 0.210 349 L C 2.377 179.284 176.870 0.062 0.000 1.076 349 L CA 2.328 57.106 54.840 -0.104 0.000 0.749 349 L CB -1.255 40.567 42.059 -0.395 0.000 0.893 349 L HN 0.373 nan 8.230 nan 0.000 0.432 350 S N -1.052 114.734 115.700 0.144 0.000 2.368 350 S HA -0.171 4.299 4.470 0.001 0.000 0.225 350 S C 2.164 176.850 174.600 0.143 0.000 1.030 350 S CA 1.223 59.593 58.200 0.284 0.000 0.999 350 S CB -0.372 62.984 63.200 0.260 0.000 0.844 350 S HN 0.579 nan 8.310 nan 0.000 0.459 351 A N 1.084 123.954 122.820 0.085 0.000 1.877 351 A HA -0.091 4.229 4.320 0.001 0.000 0.216 351 A C 1.978 179.594 177.584 0.052 0.000 1.186 351 A CA 1.756 53.826 52.037 0.055 0.000 0.620 351 A CB -0.834 18.187 19.000 0.034 0.000 0.822 351 A HN 0.721 nan 8.150 nan 0.000 0.443 352 E N -0.844 119.386 120.200 0.050 0.000 2.150 352 E HA -0.117 4.234 4.350 0.001 0.000 0.193 352 E C 1.995 178.630 176.600 0.058 0.000 0.985 352 E CA 1.615 58.040 56.400 0.041 0.000 0.814 352 E CB -0.149 29.566 29.700 0.025 0.000 0.752 352 E HN 0.846 nan 8.360 nan 0.000 0.466 353 T N -4.201 110.410 114.554 0.095 0.000 2.990 353 T HA 0.271 4.622 4.350 0.001 0.000 0.250 353 T C 1.626 176.372 174.700 0.077 0.000 1.041 353 T CA 0.290 62.452 62.100 0.104 0.000 1.010 353 T CB 0.714 69.693 68.868 0.185 0.000 1.003 353 T HN 0.229 nan 8.240 nan 0.000 0.499 354 G N 1.967 110.811 108.800 0.073 0.000 2.166 354 G HA2 -0.287 3.674 3.960 0.001 0.000 0.260 354 G HA3 -0.287 3.674 3.960 0.001 0.000 0.260 354 G C 0.116 175.029 174.900 0.022 0.000 0.986 354 G CA 0.238 45.365 45.100 0.045 0.000 0.683 354 G HN 0.706 nan 8.290 nan 0.000 0.527 355 R N -0.168 120.345 120.500 0.021 0.000 2.573 355 R HA 0.568 4.909 4.340 0.001 0.000 0.272 355 R C 0.421 176.641 176.300 -0.134 0.000 1.009 355 R CA -0.787 55.241 56.100 -0.120 0.000 1.059 355 R CB 1.065 31.182 30.300 -0.306 0.000 1.112 355 R HN 0.129 nan 8.270 nan 0.000 0.517 356 K N 2.466 122.758 120.400 -0.180 0.000 2.297 356 K HA 0.122 4.443 4.320 0.001 0.000 0.286 356 K C -1.267 175.175 176.600 -0.264 0.000 1.053 356 K CA 0.010 56.231 56.287 -0.111 0.000 0.940 356 K CB 0.495 32.962 32.500 -0.056 0.000 1.019 356 K HN 0.443 nan 8.250 nan 0.000 0.475 357 Y N 1.963 122.286 120.300 0.039 0.000 2.409 357 Y HA 0.244 4.795 4.550 0.001 0.000 0.339 357 Y C 0.186 176.120 175.900 0.056 0.000 1.033 357 Y CA -0.600 57.530 58.100 0.050 0.000 1.094 357 Y CB 1.786 40.271 38.460 0.041 0.000 1.210 357 Y HN 0.515 nan 8.280 nan 0.000 0.456 358 E N 2.623 122.965 120.200 0.237 0.000 2.191 358 E HA 0.438 4.788 4.350 0.001 0.000 0.274 358 E C -1.611 175.093 176.600 0.173 0.000 0.948 358 E CA -1.104 55.407 56.400 0.185 0.000 0.802 358 E CB 2.583 32.426 29.700 0.239 0.000 1.137 358 E HN 0.339 nan 8.360 nan 0.000 0.397 359 L N 2.234 123.522 121.223 0.107 0.000 2.349 359 L HA 0.436 4.776 4.340 0.001 0.000 0.278 359 L C -0.575 176.333 176.870 0.065 0.000 0.996 359 L CA -0.003 54.890 54.840 0.089 0.000 0.825 359 L CB 1.602 43.691 42.059 0.050 0.000 1.243 359 L HN 0.668 nan 8.230 nan 0.000 0.412 360 T N 0.714 115.334 114.554 0.110 0.000 2.838 360 T HA 0.831 5.182 4.350 0.001 0.000 0.292 360 T C -0.680 174.103 174.700 0.139 0.000 1.113 360 T CA -0.775 61.363 62.100 0.063 0.000 1.008 360 T CB 1.628 70.555 68.868 0.099 0.000 1.259 360 T HN 0.655 nan 8.240 nan 0.000 0.520 361 S N -0.495 115.279 115.700 0.123 0.000 2.566 361 S HA 0.662 5.133 4.470 0.001 0.000 0.273 361 S C -0.859 173.910 174.600 0.281 0.000 1.157 361 S CA -0.451 57.893 58.200 0.241 0.000 0.938 361 S CB 0.913 64.276 63.200 0.271 0.000 1.087 361 S HN 1.295 nan 8.310 nan 0.000 0.474 362 A N 4.499 127.542 122.820 0.372 0.000 2.328 362 A HA 0.758 5.078 4.320 0.001 0.000 0.284 362 A C 0.048 177.785 177.584 0.255 0.000 1.160 362 A CA -0.569 51.666 52.037 0.329 0.000 0.818 362 A CB -0.243 18.996 19.000 0.399 0.000 1.087 362 A HN 1.145 nan 8.150 nan 0.000 0.504 363 I N -0.120 120.560 120.570 0.182 0.000 2.828 363 I HA 0.655 4.826 4.170 0.001 0.000 0.302 363 I C 0.047 176.226 176.117 0.104 0.000 1.101 363 I CA -0.719 60.663 61.300 0.137 0.000 1.031 363 I CB 2.052 40.025 38.000 -0.046 0.000 1.231 363 I HN 0.458 nan 8.210 nan 0.000 0.427 364 S N 2.612 118.364 115.700 0.087 0.000 2.552 364 S HA 0.302 4.772 4.470 0.001 0.000 0.289 364 S C 1.037 175.529 174.600 -0.180 0.000 1.304 364 S CA 0.321 58.416 58.200 -0.176 0.000 1.063 364 S CB 0.864 63.733 63.200 -0.552 0.000 0.848 364 S HN 0.874 nan 8.310 nan 0.000 0.499 365 A N 4.196 126.901 122.820 -0.191 0.000 2.275 365 A HA 0.393 4.713 4.320 0.001 0.000 0.212 365 A C 1.079 178.486 177.584 -0.294 0.000 1.201 365 A CA 0.293 52.243 52.037 -0.145 0.000 0.843 365 A CB -0.507 18.510 19.000 0.028 0.000 0.873 365 A HN 0.932 nan 8.150 nan 0.000 0.492 366 G N -0.207 108.302 108.800 -0.483 0.000 2.364 366 G HA2 0.310 4.271 3.960 0.001 0.000 0.267 366 G HA3 0.310 4.271 3.960 0.001 0.000 0.267 366 G C 0.668 175.418 174.900 -0.249 0.000 1.233 366 G CA -0.026 44.681 45.100 -0.656 0.000 0.885 366 G HN 0.415 nan 8.290 nan 0.000 0.490 367 K N 1.705 122.014 120.400 -0.152 0.000 2.113 367 K HA -0.205 4.115 4.320 0.001 0.000 0.208 367 K C 1.993 178.573 176.600 -0.034 0.000 1.047 367 K CA 2.143 58.391 56.287 -0.066 0.000 0.928 367 K CB 0.066 32.544 32.500 -0.038 0.000 0.716 367 K HN 0.654 nan 8.250 nan 0.000 0.446 368 D N 0.411 120.816 120.400 0.009 0.000 2.178 368 D HA -0.191 4.449 4.640 0.001 0.000 0.202 368 D C 1.273 177.547 176.300 -0.044 0.000 0.974 368 D CA 1.354 55.355 54.000 0.001 0.000 0.841 368 D CB -0.157 40.664 40.800 0.036 0.000 0.953 368 D HN 0.318 nan 8.370 nan 0.000 0.478 369 K N 0.087 120.435 120.400 -0.087 0.000 2.116 369 K HA 0.141 4.461 4.320 0.001 0.000 0.203 369 K C 2.467 179.004 176.600 -0.105 0.000 1.052 369 K CA 0.324 56.527 56.287 -0.139 0.000 0.952 369 K CB 0.091 32.422 32.500 -0.282 0.000 0.729 369 K HN 0.114 nan 8.250 nan 0.000 0.446 370 I N 1.909 122.442 120.570 -0.062 0.000 2.264 370 I HA -0.281 3.889 4.170 0.001 0.000 0.248 370 I C 1.206 177.335 176.117 0.019 0.000 1.111 370 I CA 1.248 62.582 61.300 0.056 0.000 1.382 370 I CB -0.175 37.836 38.000 0.019 0.000 1.060 370 I HN 0.133 nan 8.210 nan 0.000 0.418 371 D N 0.707 121.085 120.400 -0.036 0.000 2.363 371 D HA -0.074 4.567 4.640 0.001 0.000 0.226 371 D C 1.698 177.939 176.300 -0.099 0.000 1.020 371 D CA 0.651 54.618 54.000 -0.054 0.000 0.892 371 D CB -0.021 40.756 40.800 -0.038 0.000 0.900 371 D HN 0.360 nan 8.370 nan 0.000 0.531 372 K N -0.178 120.138 120.400 -0.139 0.000 2.459 372 K HA 0.097 4.417 4.320 0.001 0.000 0.193 372 K C 0.145 176.575 176.600 -0.283 0.000 1.030 372 K CA 0.235 56.413 56.287 -0.182 0.000 1.026 372 K CB 1.059 33.454 32.500 -0.176 0.000 0.809 372 K HN -0.088 nan 8.250 nan 0.000 0.504 373 V N 0.580 120.262 119.914 -0.388 0.000 2.709 373 V HA 0.371 4.492 4.120 0.001 0.000 0.308 373 V C -0.726 175.060 176.094 -0.513 0.000 1.062 373 V CA -1.326 60.599 62.300 -0.625 0.000 0.901 373 V CB 1.751 32.760 31.823 -1.356 0.000 1.003 373 V HN 0.009 nan 8.190 nan 0.000 0.425 374 A N 2.928 125.536 122.820 -0.354 0.000 2.922 374 A HA 0.408 4.728 4.320 0.001 0.000 0.298 374 A C 0.371 177.857 177.584 -0.165 0.000 1.588 374 A CA -0.073 51.849 52.037 -0.192 0.000 1.288 374 A CB -0.654 18.291 19.000 -0.092 0.000 1.130 374 A HN 0.829 nan 8.150 nan 0.000 0.557 375 Y N 1.427 121.700 120.300 -0.045 0.000 2.421 375 Y HA -0.222 4.329 4.550 0.001 0.000 0.292 375 Y C 2.396 178.295 175.900 -0.001 0.000 1.136 375 Y CA 1.650 59.742 58.100 -0.015 0.000 1.255 375 Y CB -0.213 38.220 38.460 -0.045 0.000 0.991 375 Y HN 0.805 nan 8.280 nan 0.000 0.552 376 N N -0.232 118.538 118.700 0.117 0.000 2.396 376 N HA -0.102 4.639 4.740 0.001 0.000 0.180 376 N C 1.511 177.051 175.510 0.049 0.000 1.028 376 N CA 1.447 54.538 53.050 0.069 0.000 0.893 376 N CB -0.728 37.783 38.487 0.040 0.000 0.967 376 N HN 0.281 nan 8.380 nan 0.000 0.440 377 V N 1.318 121.255 119.914 0.038 0.000 2.379 377 V HA 0.062 4.183 4.120 0.001 0.000 0.243 377 V C 2.815 178.941 176.094 0.052 0.000 1.035 377 V CA 1.453 63.772 62.300 0.031 0.000 1.035 377 V CB -0.938 30.893 31.823 0.012 0.000 0.673 377 V HN 0.418 nan 8.190 nan 0.000 0.457 378 A N 0.897 123.768 122.820 0.084 0.000 2.019 378 A HA -0.262 4.059 4.320 0.001 0.000 0.219 378 A C 2.230 179.884 177.584 0.116 0.000 1.164 378 A CA 1.746 53.858 52.037 0.124 0.000 0.644 378 A CB -0.553 18.593 19.000 0.244 0.000 0.805 378 A HN 0.773 nan 8.150 nan 0.000 0.449 379 Q N -0.137 119.734 119.800 0.119 0.000 2.234 379 Q HA -0.207 4.133 4.340 0.001 0.000 0.206 379 Q C 1.111 177.127 176.000 0.027 0.000 0.980 379 Q CA 1.525 57.369 55.803 0.069 0.000 0.869 379 Q CB -0.590 28.179 28.738 0.052 0.000 0.912 379 Q HN 0.553 nan 8.270 nan 0.000 0.436 380 N N 0.623 119.340 118.700 0.028 0.000 2.364 380 N HA -0.072 4.669 4.740 0.001 0.000 0.183 380 N C 1.024 176.538 175.510 0.007 0.000 1.022 380 N CA 1.390 54.447 53.050 0.012 0.000 0.883 380 N CB -0.001 38.495 38.487 0.014 0.000 0.965 380 N HN 0.310 nan 8.380 nan 0.000 0.438 381 S N -0.182 115.525 115.700 0.012 0.000 2.517 381 S HA 0.257 4.728 4.470 0.001 0.000 0.214 381 S C 0.757 175.353 174.600 -0.005 0.000 0.991 381 S CA 0.027 58.230 58.200 0.005 0.000 0.906 381 S CB 0.537 63.740 63.200 0.005 0.000 0.789 381 S HN 0.199 nan 8.310 nan 0.000 0.513 382 M N 1.295 120.887 119.600 -0.013 0.000 2.436 382 M HA 0.369 4.849 4.480 0.001 0.000 0.331 382 M C 0.059 176.292 176.300 -0.113 0.000 1.135 382 M CA -0.483 54.794 55.300 -0.038 0.000 0.987 382 M CB 1.446 34.042 32.600 -0.007 0.000 1.687 382 M HN -0.104 nan 8.290 nan 0.000 0.445 383 D N 0.474 120.768 120.400 -0.176 0.000 2.137 383 D HA 0.001 4.641 4.640 0.001 0.000 0.202 383 D C 0.105 175.958 176.300 -0.745 0.000 0.970 383 D CA 1.379 55.125 54.000 -0.423 0.000 0.837 383 D CB 0.408 40.976 40.800 -0.388 0.000 0.981 383 D HN 0.510 nan 8.370 nan 0.000 0.475 384 H N -0.973 117.963 119.070 -0.223 0.000 3.012 384 H HA 0.437 4.993 4.556 0.001 0.000 0.367 384 H C -0.645 174.387 175.328 -0.494 0.000 1.211 384 H CA -0.560 55.236 56.048 -0.420 0.000 1.139 384 H CB 1.913 31.241 29.762 -0.724 0.000 1.838 384 H HN -0.152 nan 8.280 nan 0.000 0.550 385 I N 2.476 122.846 120.570 -0.334 0.000 2.382 385 I HA 0.134 4.305 4.170 0.001 0.000 0.286 385 I C -0.584 175.317 176.117 -0.360 0.000 1.002 385 I CA -0.570 60.551 61.300 -0.300 0.000 1.135 385 I CB 0.779 38.656 38.000 -0.206 0.000 1.288 385 I HN 0.253 nan 8.210 nan 0.000 0.448 386 F N 6.930 126.777 119.950 -0.171 0.000 2.423 386 F HA 0.214 4.741 4.527 0.001 0.000 0.356 386 F C 0.226 175.951 175.800 -0.125 0.000 1.170 386 F CA -0.618 57.111 58.000 -0.452 0.000 1.163 386 F CB 0.337 38.752 39.000 -0.975 0.000 1.318 386 F HN 0.295 nan 8.300 nan 0.000 0.569 387 L N 5.187 126.582 121.223 0.285 0.000 2.456 387 L HA 0.152 4.493 4.340 0.001 0.000 0.277 387 L C 0.378 177.433 176.870 0.309 0.000 1.124 387 L CA 0.380 55.356 54.840 0.228 0.000 0.880 387 L CB 0.075 42.221 42.059 0.144 0.000 1.192 387 L HN 0.495 nan 8.230 nan 0.000 0.463 388 M N 4.618 124.258 119.600 0.066 0.000 3.596 388 M HA 0.067 4.548 4.480 0.001 0.000 0.212 388 M C 0.762 176.587 176.300 -0.792 0.000 1.519 388 M CA 0.065 55.087 55.300 -0.463 0.000 1.670 388 M CB -0.637 31.749 32.600 -0.357 0.000 1.113 388 M HN 0.744 nan 8.290 nan 0.000 0.565 389 S N 1.303 116.679 115.700 -0.541 0.000 4.085 389 S HA 0.249 4.720 4.470 0.001 0.000 0.189 389 S C -0.534 173.599 174.600 -0.778 0.000 1.392 389 S CA -0.478 57.460 58.200 -0.437 0.000 0.972 389 S CB -1.043 62.156 63.200 -0.002 0.000 1.482 389 S HN 0.574 nan 8.310 nan 0.000 0.446 390 Y N -3.122 116.677 120.300 -0.835 0.000 2.764 390 Y HA 0.572 5.122 4.550 0.001 0.000 0.331 390 Y C -0.279 175.331 175.900 -0.483 0.000 1.280 390 Y CA -1.664 56.041 58.100 -0.659 0.000 1.065 390 Y CB -0.272 38.027 38.460 -0.268 0.000 1.319 390 Y HN 0.133 nan 8.280 nan 0.000 0.453 391 D N -0.319 120.175 120.400 0.157 0.000 2.911 391 D HA -0.202 4.439 4.640 0.001 0.000 0.227 391 D C 0.510 177.038 176.300 0.380 0.000 1.164 391 D CA 1.186 55.369 54.000 0.306 0.000 0.782 391 D CB -1.207 39.744 40.800 0.252 0.000 1.094 391 D HN 0.506 nan 8.370 nan 0.000 0.425 392 F N -0.676 119.491 119.950 0.363 0.000 2.216 392 F HA -0.007 4.520 4.527 0.001 0.000 0.300 392 F C 1.073 176.988 175.800 0.192 0.000 1.085 392 F CA 0.922 59.121 58.000 0.332 0.000 1.326 392 F CB -0.246 38.950 39.000 0.325 0.000 1.027 392 F HN 0.083 nan 8.300 nan 0.000 0.497 393 Y N -1.889 118.770 120.300 0.599 0.000 2.615 393 Y HA 0.645 5.196 4.550 0.001 0.000 0.341 393 Y C 0.447 176.364 175.900 0.029 0.000 1.089 393 Y CA -1.057 57.266 58.100 0.371 0.000 1.049 393 Y CB 1.784 40.512 38.460 0.446 0.000 1.296 393 Y HN -0.110 nan 8.280 nan 0.000 0.470 394 G N -0.561 108.067 108.800 -0.287 0.000 2.315 394 G HA2 0.422 4.382 3.960 0.001 0.000 0.294 394 G HA3 0.422 4.382 3.960 0.001 0.000 0.294 394 G C -0.589 173.823 174.900 -0.813 0.000 1.300 394 G CA -0.241 44.399 45.100 -0.765 0.000 0.843 394 G HN 0.888 nan 8.290 nan 0.000 0.527 395 A N -0.616 121.786 122.820 -0.697 0.000 2.248 395 A HA 0.313 4.633 4.320 0.001 0.000 0.210 395 A C 1.810 179.383 177.584 -0.018 0.000 1.174 395 A CA 1.832 53.692 52.037 -0.296 0.000 0.750 395 A CB -0.989 17.877 19.000 -0.223 0.000 0.780 395 A HN 1.354 nan 8.150 nan 0.000 0.478 396 F N -0.940 119.082 119.950 0.120 0.000 2.502 396 F HA 0.176 4.704 4.527 0.001 0.000 0.298 396 F C 0.352 176.255 175.800 0.171 0.000 1.111 396 F CA 0.058 58.133 58.000 0.125 0.000 1.445 396 F CB -0.215 38.835 39.000 0.083 0.000 1.081 396 F HN 0.166 nan 8.300 nan 0.000 0.558 397 D N 0.677 121.130 120.400 0.089 0.000 2.473 397 D HA 0.261 4.902 4.640 0.001 0.000 0.253 397 D C 0.322 176.754 176.300 0.221 0.000 1.233 397 D CA -0.392 53.717 54.000 0.182 0.000 0.908 397 D CB 1.184 42.103 40.800 0.200 0.000 1.170 397 D HN 0.177 nan 8.370 nan 0.000 0.558 398 L N 2.579 123.904 121.223 0.170 0.000 2.554 398 L HA 0.095 4.436 4.340 0.001 0.000 0.226 398 L C 1.732 178.582 176.870 -0.035 0.000 1.137 398 L CA 0.487 55.399 54.840 0.119 0.000 0.863 398 L CB 0.114 42.247 42.059 0.124 0.000 0.985 398 L HN 0.119 nan 8.230 nan 0.000 0.451 399 K N -0.194 120.203 120.400 -0.006 0.000 2.214 399 K HA 0.147 4.468 4.320 0.001 0.000 0.201 399 K C 0.368 176.929 176.600 -0.066 0.000 1.049 399 K CA 0.482 56.746 56.287 -0.037 0.000 0.978 399 K CB 0.435 32.938 32.500 0.005 0.000 0.842 399 K HN 0.093 nan 8.250 nan 0.000 0.474 400 N N 1.690 120.388 118.700 -0.003 0.000 2.501 400 N HA 0.203 4.943 4.740 0.001 0.000 0.245 400 N C -0.857 174.682 175.510 0.050 0.000 0.974 400 N CA -0.148 52.928 53.050 0.043 0.000 0.941 400 N CB 1.264 39.835 38.487 0.140 0.000 1.122 400 N HN 0.006 nan 8.380 nan 0.000 0.507 401 L N 0.846 121.940 121.223 -0.216 0.000 2.360 401 L HA 0.821 5.162 4.340 0.001 0.000 0.271 401 L C 1.026 177.590 176.870 -0.510 0.000 1.057 401 L CA -0.733 53.807 54.840 -0.500 0.000 0.803 401 L CB 1.620 43.131 42.059 -0.913 0.000 1.207 401 L HN 0.466 nan 8.230 nan 0.000 0.445 402 G N -0.870 107.572 108.800 -0.596 0.000 2.495 402 G HA2 0.275 4.235 3.960 0.001 0.000 0.294 402 G HA3 0.275 4.235 3.960 0.001 0.000 0.294 402 G C -1.576 172.923 174.900 -0.667 0.000 1.397 402 G CA -0.734 43.589 45.100 -1.295 0.000 0.790 402 G HN 0.453 nan 8.290 nan 0.000 0.486 403 H N 0.856 119.561 119.070 -0.609 0.000 2.899 403 H HA 0.120 4.677 4.556 0.001 0.000 0.303 403 H C 1.437 176.945 175.328 0.299 0.000 1.042 403 H CA 0.592 56.533 56.048 -0.178 0.000 1.479 403 H CB 1.884 31.488 29.762 -0.263 0.000 1.493 403 H HN 0.725 nan 8.280 nan 0.000 0.534 404 Q N 1.635 121.712 119.800 0.462 0.000 2.297 404 Q HA -0.048 4.292 4.340 0.001 0.000 0.204 404 Q C 0.958 177.106 176.000 0.247 0.000 0.962 404 Q CA 1.466 57.544 55.803 0.458 0.000 0.879 404 Q CB 0.568 29.491 28.738 0.308 0.000 0.947 404 Q HN 0.468 nan 8.270 nan 0.000 0.462 405 T N -0.875 113.803 114.554 0.207 0.000 3.641 405 T HA 0.547 4.898 4.350 0.001 0.000 0.313 405 T C -0.293 174.490 174.700 0.138 0.000 0.952 405 T CA 0.048 62.159 62.100 0.019 0.000 1.004 405 T CB -0.103 68.727 68.868 -0.063 0.000 1.209 405 T HN 0.456 nan 8.240 nan 0.000 0.493 406 A N 0.940 123.900 122.820 0.234 0.000 2.448 406 A HA 0.543 4.863 4.320 0.001 0.000 0.239 406 A C 1.408 179.009 177.584 0.029 0.000 1.080 406 A CA -0.239 51.803 52.037 0.007 0.000 0.779 406 A CB 0.063 18.994 19.000 -0.116 0.000 1.026 406 A HN 0.459 nan 8.150 nan 0.000 0.499 407 L N 1.079 122.240 121.223 -0.104 0.000 2.023 407 L HA 0.032 4.372 4.340 0.001 0.000 0.205 407 L C 0.727 177.479 176.870 -0.196 0.000 1.073 407 L CA 1.668 56.411 54.840 -0.161 0.000 0.745 407 L CB -0.506 41.422 42.059 -0.217 0.000 0.900 407 L HN 0.776 nan 8.230 nan 0.000 0.435 408 N N -1.140 117.439 118.700 -0.202 0.000 2.545 408 N HA 0.482 5.222 4.740 0.001 0.000 0.289 408 N C -0.674 174.709 175.510 -0.212 0.000 1.279 408 N CA -0.046 52.882 53.050 -0.205 0.000 0.824 408 N CB 1.075 39.446 38.487 -0.193 0.000 1.395 408 N HN 0.158 nan 8.380 nan 0.000 0.526 409 A N 1.099 123.789 122.820 -0.217 0.000 2.425 409 A HA 0.392 4.712 4.320 0.001 0.000 0.242 409 A C -2.067 175.299 177.584 -0.362 0.000 1.077 409 A CA -0.688 51.185 52.037 -0.272 0.000 0.781 409 A CB -0.470 18.385 19.000 -0.241 0.000 1.020 409 A HN 0.421 nan 8.150 nan 0.000 0.494 410 P HA 0.293 nan 4.420 nan 0.000 0.276 410 P C 0.641 177.545 177.300 -0.660 0.000 1.252 410 P CA 0.315 62.925 63.100 -0.816 0.000 0.802 410 P CB 1.077 31.647 31.700 -1.884 0.000 1.035 411 A N 1.294 123.867 122.820 -0.411 0.000 1.933 411 A HA -0.164 4.156 4.320 0.001 0.000 0.218 411 A C 1.868 179.403 177.584 -0.080 0.000 1.175 411 A CA 1.729 53.677 52.037 -0.150 0.000 0.628 411 A CB -1.839 17.171 19.000 0.017 0.000 0.814 411 A HN 0.823 nan 8.150 nan 0.000 0.444 412 W N -0.954 120.312 121.300 -0.057 0.000 2.595 412 W HA 0.201 4.861 4.660 0.001 0.000 0.257 412 W C 0.670 177.146 176.519 -0.071 0.000 1.267 412 W CA 0.967 58.275 57.345 -0.062 0.000 1.300 412 W CB 0.084 29.499 29.460 -0.074 0.000 1.120 412 W HN 0.154 nan 8.180 nan 0.000 0.618 413 K N 1.478 121.647 120.400 -0.384 0.000 3.050 413 K HA 0.144 4.465 4.320 0.001 0.000 0.185 413 K C -2.110 174.332 176.600 -0.263 0.000 1.147 413 K CA -1.135 55.006 56.287 -0.243 0.000 0.916 413 K CB 0.898 33.270 32.500 -0.213 0.000 1.119 413 K HN -0.289 nan 8.250 nan 0.000 0.605 414 P HA -0.131 nan 4.420 nan 0.000 0.228 414 P C 0.188 177.410 177.300 -0.130 0.000 1.151 414 P CA 0.998 63.998 63.100 -0.166 0.000 0.770 414 P CB 0.212 31.845 31.700 -0.112 0.000 0.786 415 D N -1.845 118.491 120.400 -0.107 0.000 2.368 415 D HA -0.006 4.635 4.640 0.001 0.000 0.218 415 D C -0.086 176.169 176.300 -0.075 0.000 1.112 415 D CA -0.129 53.824 54.000 -0.078 0.000 0.834 415 D CB -1.172 39.596 40.800 -0.053 0.000 0.953 415 D HN -0.148 nan 8.370 nan 0.000 0.505 416 T N 1.013 115.507 114.554 -0.099 0.000 2.765 416 T HA 0.170 4.520 4.350 0.001 0.000 0.275 416 T C 1.430 176.095 174.700 -0.057 0.000 1.007 416 T CA 0.578 62.639 62.100 -0.066 0.000 1.175 416 T CB 1.115 69.918 68.868 -0.108 0.000 0.993 416 T HN 0.321 nan 8.240 nan 0.000 0.510 417 A N 4.198 127.005 122.820 -0.023 0.000 1.854 417 A HA -0.008 4.313 4.320 0.001 0.000 0.214 417 A C 0.714 178.315 177.584 0.027 0.000 1.192 417 A CA 0.952 52.994 52.037 0.008 0.000 0.611 417 A CB -0.310 18.697 19.000 0.010 0.000 0.832 417 A HN 0.753 nan 8.150 nan 0.000 0.442 418 Y N 1.756 121.856 120.300 -0.335 0.000 2.636 418 Y HA 0.405 4.955 4.550 0.001 0.000 0.341 418 Y C 0.820 176.030 175.900 -1.149 0.000 1.169 418 Y CA -0.343 57.342 58.100 -0.692 0.000 1.498 418 Y CB -0.290 37.849 38.460 -0.534 0.000 1.362 418 Y HN 0.363 nan 8.280 nan 0.000 0.494 419 T N -2.770 111.217 114.554 -0.945 0.000 2.883 419 T HA 0.299 4.649 4.350 0.001 0.000 0.296 419 T C 1.057 175.517 174.700 -0.400 0.000 1.117 419 T CA -0.636 61.048 62.100 -0.694 0.000 1.006 419 T CB 1.651 70.343 68.868 -0.292 0.000 1.191 419 T HN 0.214 nan 8.240 nan 0.000 0.508 420 T N 1.095 115.657 114.554 0.014 0.000 2.652 420 T HA -0.106 4.244 4.350 0.001 0.000 0.267 420 T C 2.078 176.774 174.700 -0.007 0.000 1.039 420 T CA 1.656 63.834 62.100 0.130 0.000 1.153 420 T CB -0.433 68.493 68.868 0.096 0.000 0.863 420 T HN 0.502 nan 8.240 nan 0.000 0.428 421 V N 2.525 122.367 119.914 -0.120 0.000 2.392 421 V HA -0.183 3.937 4.120 0.001 0.000 0.249 421 V C 2.403 178.466 176.094 -0.052 0.000 1.059 421 V CA 1.516 63.756 62.300 -0.099 0.000 1.051 421 V CB -0.654 31.057 31.823 -0.187 0.000 0.658 421 V HN 0.446 nan 8.190 nan 0.000 0.455 422 N N 0.838 119.472 118.700 -0.111 0.000 2.244 422 N HA -0.100 4.640 4.740 0.001 0.000 0.183 422 N C 1.874 177.331 175.510 -0.088 0.000 1.016 422 N CA 1.542 54.530 53.050 -0.103 0.000 0.866 422 N CB -0.625 37.778 38.487 -0.141 0.000 0.980 422 N HN 0.526 nan 8.380 nan 0.000 0.430 423 G N 0.684 109.426 108.800 -0.096 0.000 2.404 423 G HA2 -0.150 3.811 3.960 0.001 0.000 0.215 423 G HA3 -0.150 3.811 3.960 0.001 0.000 0.215 423 G C 1.707 176.588 174.900 -0.031 0.000 1.174 423 G CA 0.736 45.790 45.100 -0.076 0.000 0.780 423 G HN 0.171 nan 8.290 nan 0.000 0.537 424 V N 1.836 121.766 119.914 0.025 0.000 2.287 424 V HA -0.234 3.887 4.120 0.001 0.000 0.248 424 V C 2.683 178.794 176.094 0.030 0.000 1.053 424 V CA 2.025 64.359 62.300 0.056 0.000 1.027 424 V CB -0.544 31.383 31.823 0.174 0.000 0.646 424 V HN 0.310 nan 8.190 nan 0.000 0.447 425 N N 0.464 119.182 118.700 0.030 0.000 2.166 425 N HA -0.100 4.641 4.740 0.001 0.000 0.186 425 N C 1.898 177.406 175.510 -0.004 0.000 1.019 425 N CA 1.588 54.647 53.050 0.016 0.000 0.856 425 N CB -0.597 37.896 38.487 0.010 0.000 0.993 425 N HN 0.500 nan 8.380 nan 0.000 0.426 426 A N 1.335 124.144 122.820 -0.018 0.000 1.917 426 A HA -0.113 4.207 4.320 0.001 0.000 0.219 426 A C 2.362 179.942 177.584 -0.007 0.000 1.182 426 A CA 1.111 53.136 52.037 -0.019 0.000 0.633 426 A CB -0.775 18.204 19.000 -0.035 0.000 0.819 426 A HN 0.228 nan 8.150 nan 0.000 0.448 427 L N -0.879 120.331 121.223 -0.021 0.000 2.027 427 L HA -0.138 4.202 4.340 0.001 0.000 0.206 427 L C 2.569 179.438 176.870 -0.002 0.000 1.074 427 L CA 0.996 55.824 54.840 -0.020 0.000 0.745 427 L CB -0.575 41.436 42.059 -0.081 0.000 0.898 427 L HN 0.355 nan 8.230 nan 0.000 0.433 428 L N -0.673 120.547 121.223 -0.005 0.000 2.079 428 L HA -0.213 4.127 4.340 0.001 0.000 0.210 428 L C 2.560 179.432 176.870 0.003 0.000 1.081 428 L CA 1.442 56.282 54.840 -0.001 0.000 0.752 428 L CB -0.842 41.218 42.059 0.001 0.000 0.896 428 L HN 0.290 nan 8.230 nan 0.000 0.433 429 T N -1.263 113.293 114.554 0.004 0.000 2.904 429 T HA -0.166 4.184 4.350 0.001 0.000 0.267 429 T C 1.853 176.557 174.700 0.007 0.000 1.059 429 T CA 0.930 63.032 62.100 0.003 0.000 1.137 429 T CB -0.075 68.793 68.868 -0.001 0.000 0.879 429 T HN 0.388 nan 8.240 nan 0.000 0.467 430 Q N 0.073 119.882 119.800 0.015 0.000 2.291 430 Q HA 0.078 4.419 4.340 0.001 0.000 0.205 430 Q C 1.680 177.693 176.000 0.021 0.000 0.970 430 Q CA 0.880 56.697 55.803 0.023 0.000 0.876 430 Q CB 0.037 28.805 28.738 0.051 0.000 0.935 430 Q HN 0.645 nan 8.270 nan 0.000 0.455 431 G N 0.149 108.959 108.800 0.018 0.000 2.143 431 G HA2 -0.199 3.762 3.960 0.001 0.000 0.175 431 G HA3 -0.199 3.762 3.960 0.001 0.000 0.175 431 G C 0.034 174.945 174.900 0.018 0.000 1.004 431 G CA -0.143 44.966 45.100 0.014 0.000 0.671 431 G HN 0.157 nan 8.290 nan 0.000 0.512 432 V N 1.322 121.250 119.914 0.024 0.000 2.599 432 V HA 0.155 4.276 4.120 0.001 0.000 0.300 432 V C 1.223 177.316 176.094 -0.001 0.000 1.034 432 V CA 0.385 62.695 62.300 0.016 0.000 1.115 432 V CB 0.852 32.679 31.823 0.007 0.000 0.934 432 V HN 0.372 nan 8.190 nan 0.000 0.485 433 K N 7.721 128.118 120.400 -0.005 0.000 2.401 433 K HA 0.145 4.465 4.320 0.001 0.000 0.278 433 K C -1.330 175.258 176.600 -0.021 0.000 1.018 433 K CA -1.143 55.137 56.287 -0.012 0.000 0.981 433 K CB 0.623 33.116 32.500 -0.012 0.000 0.933 433 K HN 0.451 nan 8.250 nan 0.000 0.477 434 P HA -0.187 nan 4.420 nan 0.000 0.216 434 P C 1.174 178.456 177.300 -0.029 0.000 1.150 434 P CA 1.344 64.423 63.100 -0.035 0.000 0.837 434 P CB 0.074 31.747 31.700 -0.045 0.000 0.786 435 G N 0.192 108.981 108.800 -0.019 0.000 2.509 435 G HA2 -0.182 3.778 3.960 0.001 0.000 0.218 435 G HA3 -0.182 3.778 3.960 0.001 0.000 0.218 435 G C 1.598 176.505 174.900 0.011 0.000 1.124 435 G CA 0.374 45.473 45.100 -0.002 0.000 0.776 435 G HN 0.198 nan 8.290 nan 0.000 0.547 436 K N 0.002 120.393 120.400 -0.015 0.000 2.296 436 K HA 0.160 4.480 4.320 0.001 0.000 0.200 436 K C 0.819 177.400 176.600 -0.032 0.000 1.048 436 K CA 0.090 56.356 56.287 -0.034 0.000 0.966 436 K CB 0.189 32.656 32.500 -0.056 0.000 0.754 436 K HN 0.342 nan 8.250 nan 0.000 0.466 437 I N 2.031 122.587 120.570 -0.023 0.000 2.325 437 I HA 0.083 4.254 4.170 0.001 0.000 0.291 437 I C -0.374 175.761 176.117 0.031 0.000 1.019 437 I CA -0.709 60.578 61.300 -0.022 0.000 1.302 437 I CB 1.427 39.416 38.000 -0.020 0.000 1.401 437 I HN -0.366 nan 8.210 nan 0.000 0.485 438 V N 7.455 127.408 119.914 0.066 0.000 2.384 438 V HA 0.299 4.420 4.120 0.001 0.000 0.287 438 V C 0.192 176.535 176.094 0.416 0.000 1.020 438 V CA -0.755 61.675 62.300 0.217 0.000 0.850 438 V CB 1.784 33.750 31.823 0.238 0.000 0.987 438 V HN 0.379 nan 8.190 nan 0.000 0.436 439 V N 3.961 124.085 119.914 0.349 0.000 2.546 439 V HA 0.547 4.668 4.120 0.001 0.000 0.284 439 V C 1.017 177.256 176.094 0.242 0.000 1.050 439 V CA -0.013 62.465 62.300 0.296 0.000 0.981 439 V CB 1.603 33.559 31.823 0.222 0.000 0.990 439 V HN 0.984 nan 8.190 nan 0.000 0.474 440 G N 2.925 111.775 108.800 0.084 0.000 2.372 440 G HA2 0.568 4.528 3.960 0.001 0.000 0.283 440 G HA3 0.568 4.528 3.960 0.001 0.000 0.283 440 G C -0.043 174.776 174.900 -0.136 0.000 1.177 440 G CA -0.071 44.777 45.100 -0.419 0.000 0.842 440 G HN 0.828 nan 8.290 nan 0.000 0.503 441 T N -1.190 113.243 114.554 -0.201 0.000 2.887 441 T HA 0.735 5.085 4.350 0.001 0.000 0.288 441 T C -0.107 174.493 174.700 -0.167 0.000 1.021 441 T CA -0.521 61.515 62.100 -0.106 0.000 1.000 441 T CB 2.060 70.862 68.868 -0.110 0.000 1.034 441 T HN 1.014 nan 8.240 nan 0.000 0.467 442 A N 3.185 125.873 122.820 -0.221 0.000 2.290 442 A HA 0.666 4.986 4.320 0.001 0.000 0.310 442 A C 0.628 178.057 177.584 -0.258 0.000 1.202 442 A CA -0.996 50.784 52.037 -0.427 0.000 0.837 442 A CB 0.332 18.822 19.000 -0.850 0.000 1.139 442 A HN 0.980 nan 8.150 nan 0.000 0.509 443 M N 2.403 121.954 119.600 -0.081 0.000 2.723 443 M HA 0.240 4.720 4.480 0.001 0.000 0.270 443 M C -1.022 175.427 176.300 0.249 0.000 1.282 443 M CA 0.240 55.570 55.300 0.050 0.000 0.995 443 M CB -0.653 31.961 32.600 0.024 0.000 1.430 443 M HN 0.743 nan 8.290 nan 0.000 0.477 444 Y N -3.528 116.861 120.300 0.148 0.000 2.624 444 Y HA 0.841 5.392 4.550 0.001 0.000 0.334 444 Y C -0.502 175.524 175.900 0.210 0.000 1.155 444 Y CA -1.828 56.373 58.100 0.168 0.000 1.046 444 Y CB 0.347 38.893 38.460 0.144 0.000 1.316 444 Y HN -0.058 nan 8.280 nan 0.000 0.457 445 G N 1.513 110.466 108.800 0.256 0.000 2.441 445 G HA2 0.713 4.674 3.960 0.001 0.000 0.334 445 G HA3 0.713 4.674 3.960 0.001 0.000 0.334 445 G C -1.274 173.774 174.900 0.246 0.000 1.161 445 G CA -1.454 43.784 45.100 0.231 0.000 0.935 445 G HN 0.676 nan 8.290 nan 0.000 0.488 446 R N -0.597 119.989 120.500 0.144 0.000 2.668 446 R HA 0.738 5.079 4.340 0.001 0.000 0.279 446 R C -0.049 176.092 176.300 -0.265 0.000 0.976 446 R CA -0.455 55.622 56.100 -0.038 0.000 0.978 446 R CB 2.206 32.462 30.300 -0.073 0.000 1.133 446 R HN 0.747 nan 8.270 nan 0.000 0.484 447 G N 0.653 109.176 108.800 -0.463 0.000 2.608 447 G HA2 0.469 4.429 3.960 0.001 0.000 0.291 447 G HA3 0.469 4.429 3.960 0.001 0.000 0.291 447 G C -1.858 172.715 174.900 -0.544 0.000 1.425 447 G CA -0.652 44.132 45.100 -0.526 0.000 0.787 447 G HN 0.357 nan 8.290 nan 0.000 0.484 448 W N -0.500 120.821 121.300 0.036 0.000 2.799 448 W HA 0.689 5.349 4.660 0.001 0.000 0.349 448 W C -0.252 176.280 176.519 0.022 0.000 1.100 448 W CA -0.571 56.783 57.345 0.015 0.000 1.174 448 W CB 2.296 31.748 29.460 -0.014 0.000 1.427 448 W HN 0.632 nan 8.180 nan 0.000 0.547 449 T N -0.742 113.955 114.554 0.239 0.000 2.942 449 T HA 0.494 4.845 4.350 0.001 0.000 0.289 449 T C 0.738 175.513 174.700 0.125 0.000 1.044 449 T CA 0.579 62.760 62.100 0.135 0.000 1.023 449 T CB 1.066 69.977 68.868 0.072 0.000 1.123 449 T HN 0.878 nan 8.240 nan 0.000 0.512 450 G N 1.344 110.188 108.800 0.073 0.000 2.233 450 G HA2 -0.208 3.752 3.960 0.001 0.000 0.270 450 G HA3 -0.208 3.752 3.960 0.001 0.000 0.270 450 G C 0.260 175.211 174.900 0.085 0.000 1.011 450 G CA 0.361 45.498 45.100 0.061 0.000 0.762 450 G HN 0.938 nan 8.290 nan 0.000 0.511 451 V N 0.774 120.763 119.914 0.125 0.000 2.694 451 V HA 0.401 4.521 4.120 0.001 0.000 0.306 451 V C 0.603 176.829 176.094 0.219 0.000 1.054 451 V CA 0.958 63.314 62.300 0.094 0.000 1.161 451 V CB 0.637 32.458 31.823 -0.003 0.000 0.916 451 V HN 1.045 nan 8.190 nan 0.000 0.490 452 N N 1.664 120.466 118.700 0.170 0.000 2.823 452 N HA 0.595 5.335 4.740 0.001 0.000 0.251 452 N C 0.131 175.641 175.510 0.000 0.000 1.392 452 N CA -0.227 52.892 53.050 0.116 0.000 0.864 452 N CB 1.571 40.072 38.487 0.024 0.000 1.481 452 N HN 0.939 nan 8.380 nan 0.000 0.508 453 G N -1.026 107.663 108.800 -0.184 0.000 2.179 453 G HA2 -0.277 3.684 3.960 0.001 0.000 0.257 453 G HA3 -0.277 3.684 3.960 0.001 0.000 0.257 453 G C -0.405 174.389 174.900 -0.175 0.000 1.010 453 G CA 0.886 45.873 45.100 -0.188 0.000 0.736 453 G HN 0.959 nan 8.290 nan 0.000 0.513 454 Y N -0.452 119.747 120.300 -0.168 0.000 2.316 454 Y HA 0.779 5.330 4.550 0.001 0.000 0.324 454 Y C 0.464 176.255 175.900 -0.182 0.000 1.267 454 Y CA -0.967 56.996 58.100 -0.228 0.000 1.311 454 Y CB 0.873 39.132 38.460 -0.336 0.000 1.267 454 Y HN 0.402 nan 8.280 nan 0.000 0.516 455 Q N 0.351 120.129 119.800 -0.037 0.000 2.416 455 Q HA 0.357 4.698 4.340 0.001 0.000 0.279 455 Q C -0.684 175.296 176.000 -0.033 0.000 1.101 455 Q CA -1.116 54.648 55.803 -0.064 0.000 0.830 455 Q CB 1.362 30.053 28.738 -0.078 0.000 1.402 455 Q HN 0.922 nan 8.270 nan 0.000 0.445 456 N N 1.344 120.030 118.700 -0.024 0.000 2.708 456 N HA -0.221 4.519 4.740 0.001 0.000 0.249 456 N C -0.627 174.884 175.510 0.002 0.000 1.097 456 N CA 1.093 54.137 53.050 -0.010 0.000 0.710 456 N CB -1.136 37.341 38.487 -0.017 0.000 1.032 456 N HN 0.872 nan 8.380 nan 0.000 0.551 457 N N -1.580 117.153 118.700 0.055 0.000 2.708 457 N HA -0.222 4.518 4.740 0.001 0.000 0.251 457 N C -0.472 174.984 175.510 -0.090 0.000 1.123 457 N CA 1.150 54.242 53.050 0.070 0.000 0.739 457 N CB -1.114 37.413 38.487 0.067 0.000 1.113 457 N HN 0.585 nan 8.380 nan 0.000 0.561 458 I N 1.045 121.492 120.570 -0.206 0.000 2.347 458 I HA 0.146 4.316 4.170 0.001 0.000 0.283 458 I C -1.390 174.274 176.117 -0.755 0.000 1.058 458 I CA -2.015 58.978 61.300 -0.512 0.000 1.202 458 I CB 1.580 39.133 38.000 -0.745 0.000 1.386 458 I HN -0.249 nan 8.210 nan 0.000 0.475 459 P HA -0.167 nan 4.420 nan 0.000 0.217 459 P C 1.405 178.048 177.300 -1.095 0.000 1.148 459 P CA 1.484 63.627 63.100 -1.595 0.000 0.828 459 P CB 0.039 30.428 31.700 -2.185 0.000 0.783 460 F N 0.081 119.455 119.950 -0.959 0.000 2.307 460 F HA -0.152 4.375 4.527 0.001 0.000 0.301 460 F C 2.137 177.548 175.800 -0.648 0.000 1.076 460 F CA 1.737 59.241 58.000 -0.826 0.000 1.383 460 F CB -1.948 36.571 39.000 -0.801 0.000 1.055 460 F HN 0.022 nan 8.300 nan 0.000 0.526 461 T N -2.666 111.590 114.554 -0.498 0.000 3.160 461 T HA 0.249 4.599 4.350 0.001 0.000 0.257 461 T C 1.321 175.901 174.700 -0.200 0.000 1.147 461 T CA 0.418 62.328 62.100 -0.317 0.000 1.064 461 T CB -0.707 67.973 68.868 -0.314 0.000 0.949 461 T HN 0.205 nan 8.240 nan 0.000 0.526 462 G N 1.234 109.906 108.800 -0.214 0.000 2.574 462 G HA2 0.569 4.529 3.960 0.001 0.000 0.248 462 G HA3 0.569 4.529 3.960 0.001 0.000 0.248 462 G C -0.335 174.450 174.900 -0.191 0.000 1.422 462 G CA -0.131 44.892 45.100 -0.129 0.000 1.051 462 G HN 0.607 nan 8.290 nan 0.000 0.560 463 T N -3.717 110.746 114.554 -0.152 0.000 2.906 463 T HA 0.746 5.096 4.350 0.001 0.000 0.295 463 T C -0.402 174.210 174.700 -0.147 0.000 1.075 463 T CA -0.105 61.893 62.100 -0.169 0.000 1.005 463 T CB 1.794 70.605 68.868 -0.095 0.000 1.136 463 T HN 1.255 nan 8.240 nan 0.000 0.498 464 A N 0.582 123.315 122.820 -0.145 0.000 2.322 464 A HA 0.790 5.111 4.320 0.001 0.000 0.327 464 A C 1.073 178.679 177.584 0.037 0.000 1.134 464 A CA -0.281 51.733 52.037 -0.039 0.000 0.831 464 A CB 1.178 20.175 19.000 -0.004 0.000 1.288 464 A HN 1.330 nan 8.150 nan 0.000 0.472 465 T N -2.678 111.919 114.554 0.072 0.000 3.054 465 T HA 0.540 4.891 4.350 0.001 0.000 0.255 465 T C 0.627 175.379 174.700 0.087 0.000 1.035 465 T CA 0.677 62.816 62.100 0.065 0.000 0.941 465 T CB -0.172 68.723 68.868 0.045 0.000 1.026 465 T HN 2.068 nan 8.240 nan 0.000 0.533 466 G N 1.596 110.474 108.800 0.130 0.000 2.322 466 G HA2 0.511 4.471 3.960 0.001 0.000 0.295 466 G HA3 0.511 4.471 3.960 0.001 0.000 0.295 466 G C -3.480 171.511 174.900 0.153 0.000 1.369 466 G CA -0.981 44.194 45.100 0.124 0.000 0.821 466 G HN 0.031 nan 8.290 nan 0.000 0.536 467 P HA 0.433 nan 4.420 nan 0.000 0.276 467 P C 0.214 177.531 177.300 0.028 0.000 1.244 467 P CA -0.301 62.815 63.100 0.026 0.000 0.801 467 P CB 1.858 33.564 31.700 0.011 0.000 1.006 468 V N 2.249 122.156 119.914 -0.012 0.000 2.924 468 V HA 0.042 4.162 4.120 0.001 0.000 0.305 468 V C 0.846 176.941 176.094 0.002 0.000 1.073 468 V CA -0.299 62.004 62.300 0.004 0.000 1.098 468 V CB 0.074 31.887 31.823 -0.018 0.000 1.000 468 V HN 0.558 nan 8.190 nan 0.000 0.484 469 K N 4.118 124.526 120.400 0.013 0.000 2.447 469 K HA 0.354 4.675 4.320 0.001 0.000 0.281 469 K C 0.196 176.807 176.600 0.018 0.000 1.031 469 K CA 0.723 57.023 56.287 0.021 0.000 1.019 469 K CB 0.153 32.674 32.500 0.036 0.000 0.918 469 K HN 0.898 nan 8.250 nan 0.000 0.476 470 G N 2.028 110.834 108.800 0.011 0.000 2.521 470 G HA2 0.157 4.117 3.960 0.001 0.000 0.323 470 G HA3 0.157 4.117 3.960 0.001 0.000 0.323 470 G C 0.473 175.332 174.900 -0.068 0.000 1.211 470 G CA -0.603 44.499 45.100 0.003 0.000 0.979 470 G HN 0.671 nan 8.290 nan 0.000 0.490 471 T N -0.452 114.014 114.554 -0.147 0.000 2.701 471 T HA -0.101 4.250 4.350 0.001 0.000 0.263 471 T C 1.540 175.833 174.700 -0.677 0.000 1.040 471 T CA 1.658 63.464 62.100 -0.491 0.000 1.147 471 T CB -0.118 68.357 68.868 -0.656 0.000 0.865 471 T HN 0.651 nan 8.240 nan 0.000 0.426 472 W N 1.555 122.889 121.300 0.057 0.000 2.904 472 W HA 0.329 4.989 4.660 0.001 0.000 0.265 472 W C 0.796 177.348 176.519 0.055 0.000 1.138 472 W CA -0.586 56.796 57.345 0.062 0.000 1.455 472 W CB 0.695 30.202 29.460 0.078 0.000 0.924 472 W HN 0.232 nan 8.180 nan 0.000 0.619 473 E N 0.358 120.690 120.200 0.219 0.000 2.413 473 E HA 0.264 4.614 4.350 0.001 0.000 0.277 473 E C -0.724 175.927 176.600 0.085 0.000 0.958 473 E CA -1.014 55.468 56.400 0.138 0.000 0.779 473 E CB 0.628 30.409 29.700 0.134 0.000 1.278 473 E HN -0.297 nan 8.360 nan 0.000 0.456 474 N N 0.270 119.008 118.700 0.064 0.000 2.353 474 N HA 0.151 4.891 4.740 0.001 0.000 0.248 474 N C 0.997 176.523 175.510 0.027 0.000 1.240 474 N CA 1.966 55.041 53.050 0.041 0.000 0.862 474 N CB 0.717 39.230 38.487 0.044 0.000 1.086 474 N HN 0.927 nan 8.380 nan 0.000 0.453 475 G N 0.584 109.381 108.800 -0.006 0.000 2.179 475 G HA2 -0.256 3.705 3.960 0.001 0.000 0.260 475 G HA3 -0.256 3.705 3.960 0.001 0.000 0.260 475 G C -0.048 174.828 174.900 -0.041 0.000 0.977 475 G CA 0.080 45.141 45.100 -0.066 0.000 0.641 475 G HN 0.553 nan 8.290 nan 0.000 0.533 476 I N -0.063 120.524 120.570 0.027 0.000 2.607 476 I HA 0.541 4.711 4.170 0.001 0.000 0.290 476 I C -0.535 175.647 176.117 0.109 0.000 1.129 476 I CA -1.167 60.192 61.300 0.099 0.000 1.042 476 I CB 2.564 40.625 38.000 0.103 0.000 1.242 476 I HN -0.086 nan 8.210 nan 0.000 0.421 477 V N 3.985 123.989 119.914 0.150 0.000 2.531 477 V HA 0.314 4.434 4.120 0.001 0.000 0.301 477 V C -0.599 175.588 176.094 0.156 0.000 1.034 477 V CA -0.835 61.532 62.300 0.110 0.000 0.865 477 V CB 1.859 33.742 31.823 0.100 0.000 0.995 477 V HN 0.591 nan 8.190 nan 0.000 0.424 478 D N 2.026 122.499 120.400 0.122 0.000 2.571 478 D HA -0.068 4.573 4.640 0.001 0.000 0.231 478 D C 0.744 177.091 176.300 0.077 0.000 1.133 478 D CA 0.434 54.526 54.000 0.154 0.000 0.862 478 D CB 0.490 41.366 40.800 0.127 0.000 1.179 478 D HN 0.659 nan 8.370 nan 0.000 0.474 479 Y N 3.428 123.758 120.300 0.049 0.000 2.193 479 Y HA -0.304 4.246 4.550 0.001 0.000 0.285 479 Y C 2.365 178.227 175.900 -0.064 0.000 1.166 479 Y CA 2.027 60.117 58.100 -0.016 0.000 1.181 479 Y CB 0.051 38.531 38.460 0.033 0.000 0.976 479 Y HN 0.418 nan 8.280 nan 0.000 0.520 480 R N -0.266 120.175 120.500 -0.099 0.000 2.119 480 R HA -0.246 4.094 4.340 0.001 0.000 0.246 480 R C 2.061 178.163 176.300 -0.329 0.000 1.146 480 R CA 2.126 58.120 56.100 -0.177 0.000 0.962 480 R CB -0.128 30.152 30.300 -0.033 0.000 0.863 480 R HN 0.385 nan 8.270 nan 0.000 0.442 481 Q N 0.153 119.764 119.800 -0.315 0.000 2.137 481 Q HA -0.035 4.305 4.340 0.001 0.000 0.198 481 Q C 2.187 177.783 176.000 -0.674 0.000 0.960 481 Q CA 1.076 56.613 55.803 -0.443 0.000 0.847 481 Q CB -0.106 28.420 28.738 -0.355 0.000 0.915 481 Q HN 0.468 nan 8.270 nan 0.000 0.448 482 I N 0.667 120.915 120.570 -0.538 0.000 2.127 482 I HA -0.284 3.886 4.170 0.001 0.000 0.241 482 I C 2.285 178.023 176.117 -0.631 0.000 1.075 482 I CA 1.352 62.321 61.300 -0.551 0.000 1.334 482 I CB -0.530 37.045 38.000 -0.709 0.000 1.040 482 I HN 0.062 nan 8.210 nan 0.000 0.405 483 A N 0.537 122.919 122.820 -0.730 0.000 1.930 483 A HA -0.208 4.112 4.320 0.001 0.000 0.217 483 A C 2.489 179.849 177.584 -0.373 0.000 1.175 483 A CA 2.226 53.950 52.037 -0.522 0.000 0.627 483 A CB -0.706 17.953 19.000 -0.569 0.000 0.815 483 A HN 0.534 nan 8.150 nan 0.000 0.443 484 S N -1.549 113.906 115.700 -0.410 0.000 2.458 484 S HA -0.026 4.444 4.470 0.001 0.000 0.223 484 S C 1.756 176.126 174.600 -0.382 0.000 1.019 484 S CA 1.053 59.060 58.200 -0.322 0.000 0.937 484 S CB -0.139 62.903 63.200 -0.262 0.000 0.788 484 S HN 0.647 nan 8.310 nan 0.000 0.511 485 Q N -1.116 118.300 119.800 -0.640 0.000 2.391 485 Q HA 0.325 4.665 4.340 0.001 0.000 0.243 485 Q C -0.029 175.542 176.000 -0.715 0.000 0.874 485 Q CA 0.241 55.592 55.803 -0.753 0.000 0.950 485 Q CB 0.409 28.439 28.738 -1.180 0.000 1.103 485 Q HN 0.622 nan 8.270 nan 0.000 0.544 486 F N -0.522 119.114 119.950 -0.523 0.000 2.668 486 F HA 0.371 4.898 4.527 0.001 0.000 0.301 486 F C 0.653 176.114 175.800 -0.565 0.000 1.106 486 F CA 0.048 57.445 58.000 -1.004 0.000 1.289 486 F CB 0.423 38.526 39.000 -1.494 0.000 1.006 486 F HN -0.073 nan 8.300 nan 0.000 0.535 487 M N 0.346 119.859 119.600 -0.145 0.000 2.876 487 M HA 0.236 4.717 4.480 0.001 0.000 0.367 487 M C -0.137 176.199 176.300 0.060 0.000 1.242 487 M CA -0.074 55.233 55.300 0.012 0.000 0.889 487 M CB 0.351 32.932 32.600 -0.032 0.000 1.353 487 M HN 0.099 nan 8.290 nan 0.000 0.511 488 S N -2.468 113.313 115.700 0.134 0.000 2.672 488 S HA 0.927 5.397 4.470 0.001 0.000 0.271 488 S C 0.252 175.004 174.600 0.252 0.000 1.171 488 S CA -0.231 58.057 58.200 0.146 0.000 0.817 488 S CB 1.126 64.366 63.200 0.068 0.000 1.150 488 S HN 0.579 nan 8.310 nan 0.000 0.478 489 G N 1.353 110.254 108.800 0.168 0.000 2.574 489 G HA2 -0.336 3.625 3.960 0.001 0.000 0.286 489 G HA3 -0.336 3.625 3.960 0.001 0.000 0.286 489 G C 0.554 175.529 174.900 0.125 0.000 1.212 489 G CA 0.711 45.899 45.100 0.147 0.000 0.979 489 G HN 1.087 nan 8.290 nan 0.000 0.557 490 E N -0.040 120.186 120.200 0.042 0.000 2.418 490 E HA -0.022 4.328 4.350 0.001 0.000 0.197 490 E C 0.308 176.852 176.600 -0.093 0.000 1.026 490 E CA -0.058 56.289 56.400 -0.088 0.000 0.862 490 E CB 0.010 29.570 29.700 -0.234 0.000 0.799 490 E HN 0.396 nan 8.360 nan 0.000 0.518 491 W N 2.448 123.766 121.300 0.030 0.000 2.565 491 W HA 0.034 4.695 4.660 0.001 0.000 0.325 491 W C 0.602 177.181 176.519 0.100 0.000 1.408 491 W CA -0.298 57.082 57.345 0.058 0.000 1.350 491 W CB 0.098 29.631 29.460 0.122 0.000 1.426 491 W HN 0.047 nan 8.180 nan 0.000 0.538 492 Q N 3.594 123.568 119.800 0.291 0.000 2.364 492 Q HA 0.096 4.436 4.340 0.001 0.000 0.267 492 Q C -1.459 174.741 176.000 0.333 0.000 0.999 492 Q CA -0.060 55.900 55.803 0.261 0.000 0.886 492 Q CB 0.573 29.441 28.738 0.216 0.000 1.243 492 Q HN 0.488 nan 8.270 nan 0.000 0.415 493 Y N 2.318 122.707 120.300 0.147 0.000 2.350 493 Y HA 0.547 5.097 4.550 0.001 0.000 0.338 493 Y C -1.424 174.468 175.900 -0.014 0.000 0.961 493 Y CA -0.468 57.701 58.100 0.116 0.000 1.100 493 Y CB 1.989 40.546 38.460 0.162 0.000 1.179 493 Y HN 0.725 nan 8.280 nan 0.000 0.454 494 T N 6.224 120.361 114.554 -0.695 0.000 2.886 494 T HA 0.238 4.589 4.350 0.001 0.000 0.292 494 T C -2.010 172.338 174.700 -0.586 0.000 1.012 494 T CA -0.535 61.243 62.100 -0.536 0.000 0.982 494 T CB 0.952 69.377 68.868 -0.738 0.000 1.018 494 T HN 0.521 nan 8.240 nan 0.000 0.451 495 Y N 2.844 123.031 120.300 -0.189 0.000 2.369 495 Y HA 0.359 4.910 4.550 0.001 0.000 0.337 495 Y C -0.113 175.799 175.900 0.021 0.000 0.961 495 Y CA -0.975 57.081 58.100 -0.073 0.000 1.186 495 Y CB 0.735 39.258 38.460 0.105 0.000 1.139 495 Y HN 0.536 nan 8.280 nan 0.000 0.494 496 D N 5.028 125.242 120.400 -0.311 0.000 2.344 496 D HA 0.163 4.804 4.640 0.001 0.000 0.253 496 D C 0.511 176.632 176.300 -0.298 0.000 1.255 496 D CA 0.363 54.286 54.000 -0.128 0.000 0.894 496 D CB 1.413 42.221 40.800 0.014 0.000 1.067 496 D HN 0.783 nan 8.370 nan 0.000 0.492 497 A N 3.221 126.062 122.820 0.035 0.000 2.169 497 A HA -0.025 4.296 4.320 0.001 0.000 0.212 497 A C 1.956 179.554 177.584 0.024 0.000 1.153 497 A CA 0.691 52.819 52.037 0.153 0.000 0.756 497 A CB 0.046 19.187 19.000 0.235 0.000 0.813 497 A HN 0.573 nan 8.150 nan 0.000 0.471 498 T N 0.036 114.565 114.554 -0.041 0.000 2.770 498 T HA 0.076 4.426 4.350 0.001 0.000 0.258 498 T C 2.242 176.844 174.700 -0.164 0.000 1.039 498 T CA 1.379 63.428 62.100 -0.085 0.000 1.143 498 T CB -0.272 68.540 68.868 -0.094 0.000 0.866 498 T HN 0.513 nan 8.240 nan 0.000 0.428 499 A N 0.670 123.337 122.820 -0.254 0.000 2.016 499 A HA 0.058 4.379 4.320 0.001 0.000 0.217 499 A C 0.543 177.928 177.584 -0.332 0.000 1.162 499 A CA 0.563 52.399 52.037 -0.336 0.000 0.662 499 A CB -0.066 18.638 19.000 -0.494 0.000 0.812 499 A HN 0.450 nan 8.150 nan 0.000 0.450 500 E N -1.795 118.199 120.200 -0.343 0.000 2.326 500 E HA -0.145 4.206 4.350 0.001 0.000 0.195 500 E C -0.294 175.989 176.600 -0.528 0.000 1.367 500 E CA 0.865 57.084 56.400 -0.301 0.000 0.666 500 E CB -2.204 27.453 29.700 -0.072 0.000 1.147 500 E HN 1.298 nan 8.360 nan 0.000 0.384 501 A N 1.355 123.568 122.820 -1.012 0.000 2.500 501 A HA 0.647 4.967 4.320 0.001 0.000 0.291 501 A C -2.779 174.329 177.584 -0.794 0.000 1.048 501 A CA -1.080 50.460 52.037 -0.827 0.000 0.791 501 A CB 1.975 20.283 19.000 -1.152 0.000 1.309 501 A HN 0.015 nan 8.150 nan 0.000 0.397 502 P HA 0.710 nan 4.420 nan 0.000 0.281 502 P C -1.441 175.647 177.300 -0.353 0.000 1.264 502 P CA -0.206 62.570 63.100 -0.540 0.000 0.824 502 P CB 0.899 32.267 31.700 -0.552 0.000 1.092 503 Y N -1.496 118.617 120.300 -0.312 0.000 2.565 503 Y HA 0.590 5.141 4.550 0.001 0.000 0.330 503 Y C -1.395 174.639 175.900 0.224 0.000 1.150 503 Y CA -1.616 56.578 58.100 0.156 0.000 1.055 503 Y CB 0.500 39.196 38.460 0.394 0.000 1.337 503 Y HN 0.341 nan 8.280 nan 0.000 0.457 504 V N 0.624 120.879 119.914 0.569 0.000 2.715 504 V HA 0.847 4.967 4.120 0.001 0.000 0.310 504 V C -1.559 174.957 176.094 0.703 0.000 1.054 504 V CA -0.934 61.676 62.300 0.516 0.000 0.928 504 V CB 2.068 34.154 31.823 0.439 0.000 1.007 504 V HN 0.940 nan 8.190 nan 0.000 0.437 505 F N 2.577 122.795 119.950 0.447 0.000 2.573 505 F HA 0.611 5.139 4.527 0.001 0.000 0.316 505 F C -0.516 175.239 175.800 -0.075 0.000 1.148 505 F CA -1.026 57.084 58.000 0.183 0.000 0.940 505 F CB 2.085 41.103 39.000 0.031 0.000 1.214 505 F HN 0.737 nan 8.300 nan 0.000 0.448 506 K N 8.261 128.029 120.400 -1.055 0.000 2.347 506 K HA 0.427 4.747 4.320 0.001 0.000 0.262 506 K C -2.269 173.554 176.600 -1.294 0.000 1.052 506 K CA -1.927 53.610 56.287 -1.250 0.000 0.946 506 K CB 1.534 33.011 32.500 -1.705 0.000 1.220 506 K HN 0.271 nan 8.250 nan 0.000 0.450 507 P HA -0.156 nan 4.420 nan 0.000 0.221 507 P C 1.127 178.176 177.300 -0.419 0.000 1.150 507 P CA 0.904 63.507 63.100 -0.829 0.000 0.800 507 P CB 0.254 31.790 31.700 -0.273 0.000 0.787 508 S N -0.621 114.855 115.700 -0.372 0.000 2.382 508 S HA -0.137 4.334 4.470 0.001 0.000 0.228 508 S C 1.803 176.276 174.600 -0.211 0.000 1.027 508 S CA 2.042 60.101 58.200 -0.235 0.000 0.991 508 S CB -1.950 61.126 63.200 -0.207 0.000 0.823 508 S HN 0.299 nan 8.310 nan 0.000 0.469 509 T N -3.343 111.040 114.554 -0.285 0.000 3.040 509 T HA 0.503 4.854 4.350 0.001 0.000 0.250 509 T C 1.498 176.094 174.700 -0.174 0.000 1.058 509 T CA 0.491 62.470 62.100 -0.202 0.000 0.988 509 T CB -0.184 68.557 68.868 -0.211 0.000 0.993 509 T HN 1.260 nan 8.240 nan 0.000 0.519 510 G N 2.161 110.798 108.800 -0.272 0.000 2.221 510 G HA2 -0.198 3.763 3.960 0.001 0.000 0.265 510 G HA3 -0.198 3.763 3.960 0.001 0.000 0.265 510 G C -0.502 174.393 174.900 -0.009 0.000 1.041 510 G CA -0.008 45.027 45.100 -0.108 0.000 0.807 510 G HN 0.593 nan 8.290 nan 0.000 0.502 511 D N -0.275 120.001 120.400 -0.207 0.000 2.348 511 D HA 0.448 5.088 4.640 0.001 0.000 0.253 511 D C 0.191 176.635 176.300 0.241 0.000 1.161 511 D CA 0.142 54.139 54.000 -0.006 0.000 0.876 511 D CB 1.924 42.678 40.800 -0.077 0.000 1.160 511 D HN 0.251 nan 8.370 nan 0.000 0.459 512 L N 3.774 125.230 121.223 0.388 0.000 2.409 512 L HA 0.504 4.844 4.340 0.001 0.000 0.272 512 L C -1.388 175.727 176.870 0.408 0.000 0.980 512 L CA -0.473 54.643 54.840 0.459 0.000 0.826 512 L CB 1.473 43.679 42.059 0.245 0.000 1.268 512 L HN 0.275 nan 8.230 nan 0.000 0.407 513 I N 3.646 124.462 120.570 0.411 0.000 2.466 513 I HA 0.407 4.577 4.170 0.001 0.000 0.289 513 I C -0.328 176.135 176.117 0.578 0.000 1.026 513 I CA -0.495 61.007 61.300 0.335 0.000 1.078 513 I CB 2.248 40.326 38.000 0.130 0.000 1.249 513 I HN 0.611 nan 8.210 nan 0.000 0.429 514 T N 6.488 121.355 114.554 0.522 0.000 2.794 514 T HA 0.800 5.151 4.350 0.001 0.000 0.280 514 T C -0.796 174.192 174.700 0.479 0.000 0.987 514 T CA -0.263 62.174 62.100 0.562 0.000 0.993 514 T CB 0.588 69.801 68.868 0.575 0.000 0.939 514 T HN 0.453 nan 8.240 nan 0.000 0.449 515 F N 1.109 121.171 119.950 0.186 0.000 2.877 515 F HA 0.723 5.251 4.527 0.001 0.000 0.319 515 F C -1.453 174.389 175.800 0.071 0.000 1.174 515 F CA -1.355 56.700 58.000 0.091 0.000 0.903 515 F CB 0.491 39.586 39.000 0.158 0.000 1.357 515 F HN 0.293 nan 8.300 nan 0.000 0.472 516 D N 0.926 121.390 120.400 0.107 0.000 2.181 516 D HA 0.430 5.071 4.640 0.001 0.000 0.248 516 D C -1.132 175.236 176.300 0.115 0.000 1.020 516 D CA 0.251 54.237 54.000 -0.022 0.000 0.891 516 D CB 1.856 42.615 40.800 -0.067 0.000 1.187 516 D HN 0.725 nan 8.370 nan 0.000 0.443 517 D N -1.060 119.379 120.400 0.066 0.000 2.714 517 D HA 0.411 5.051 4.640 0.001 0.000 0.278 517 D C 0.593 176.919 176.300 0.044 0.000 1.102 517 D CA -0.687 53.407 54.000 0.157 0.000 1.108 517 D CB 0.391 41.472 40.800 0.470 0.000 1.444 517 D HN 0.203 nan 8.370 nan 0.000 0.568 518 A N -0.135 122.713 122.820 0.047 0.000 1.940 518 A HA -0.207 4.114 4.320 0.001 0.000 0.219 518 A C 2.171 179.759 177.584 0.007 0.000 1.176 518 A CA 2.146 54.184 52.037 0.003 0.000 0.631 518 A CB -0.771 18.242 19.000 0.021 0.000 0.814 518 A HN 0.589 nan 8.150 nan 0.000 0.446 519 R N 0.102 120.611 120.500 0.015 0.000 2.073 519 R HA -0.118 4.222 4.340 0.001 0.000 0.229 519 R C 2.493 178.833 176.300 0.067 0.000 1.120 519 R CA 1.857 57.916 56.100 -0.068 0.000 0.967 519 R CB -0.267 29.806 30.300 -0.379 0.000 0.862 519 R HN 0.670 nan 8.270 nan 0.000 0.436 520 S N -0.376 115.469 115.700 0.241 0.000 2.383 520 S HA -0.073 4.398 4.470 0.001 0.000 0.227 520 S C 2.034 176.677 174.600 0.072 0.000 1.026 520 S CA 1.165 59.489 58.200 0.206 0.000 0.981 520 S CB -0.402 62.853 63.200 0.092 0.000 0.818 520 S HN 0.139 nan 8.310 nan 0.000 0.472 521 V N 2.381 122.314 119.914 0.031 0.000 2.407 521 V HA -0.209 3.912 4.120 0.001 0.000 0.248 521 V C 2.949 179.051 176.094 0.013 0.000 1.055 521 V CA 2.174 64.473 62.300 -0.001 0.000 1.049 521 V CB -1.001 30.796 31.823 -0.043 0.000 0.662 521 V HN 0.623 nan 8.190 nan 0.000 0.455 522 Q N 0.026 119.834 119.800 0.013 0.000 2.084 522 Q HA -0.211 4.130 4.340 0.001 0.000 0.202 522 Q C 2.267 178.290 176.000 0.039 0.000 0.978 522 Q CA 1.923 57.734 55.803 0.013 0.000 0.844 522 Q CB -0.265 28.470 28.738 -0.004 0.000 0.898 522 Q HN 0.622 nan 8.270 nan 0.000 0.426 523 A N 1.164 124.018 122.820 0.057 0.000 1.908 523 A HA -0.225 4.095 4.320 0.001 0.000 0.218 523 A C 1.989 179.630 177.584 0.095 0.000 1.181 523 A CA 1.789 53.870 52.037 0.074 0.000 0.627 523 A CB -0.420 18.633 19.000 0.088 0.000 0.818 523 A HN 0.361 nan 8.150 nan 0.000 0.445 524 K N -0.917 119.532 120.400 0.083 0.000 2.057 524 K HA -0.099 4.222 4.320 0.001 0.000 0.207 524 K C 2.137 178.834 176.600 0.162 0.000 1.049 524 K CA 1.152 57.517 56.287 0.131 0.000 0.931 524 K CB -0.453 32.098 32.500 0.085 0.000 0.714 524 K HN 0.478 nan 8.250 nan 0.000 0.440 525 G N 1.735 110.589 108.800 0.090 0.000 2.402 525 G HA2 -0.287 3.674 3.960 0.001 0.000 0.216 525 G HA3 -0.287 3.674 3.960 0.001 0.000 0.216 525 G C 1.406 176.346 174.900 0.067 0.000 1.162 525 G CA 0.773 45.911 45.100 0.063 0.000 0.777 525 G HN 0.241 nan 8.290 nan 0.000 0.539 526 K N -0.554 119.893 120.400 0.079 0.000 2.057 526 K HA -0.189 4.132 4.320 0.001 0.000 0.207 526 K C 2.195 178.859 176.600 0.107 0.000 1.049 526 K CA 1.358 57.690 56.287 0.076 0.000 0.931 526 K CB -0.416 32.128 32.500 0.073 0.000 0.714 526 K HN 0.332 nan 8.250 nan 0.000 0.440 527 Y N 1.439 121.748 120.300 0.015 0.000 2.181 527 Y HA -0.220 4.331 4.550 0.001 0.000 0.288 527 Y C 1.883 177.793 175.900 0.017 0.000 1.146 527 Y CA 1.456 59.565 58.100 0.015 0.000 1.164 527 Y CB -0.434 38.035 38.460 0.015 0.000 0.982 527 Y HN -0.137 nan 8.280 nan 0.000 0.515 528 V N 0.735 120.606 119.914 -0.073 0.000 2.332 528 V HA -0.348 3.772 4.120 0.001 0.000 0.248 528 V C 2.532 178.554 176.094 -0.119 0.000 1.055 528 V CA 2.158 64.370 62.300 -0.146 0.000 1.038 528 V CB -0.794 31.023 31.823 -0.010 0.000 0.651 528 V HN 0.476 nan 8.190 nan 0.000 0.450 529 L N -0.424 120.768 121.223 -0.051 0.000 2.046 529 L HA -0.173 4.168 4.340 0.001 0.000 0.208 529 L C 2.400 179.238 176.870 -0.053 0.000 1.077 529 L CA 1.613 56.431 54.840 -0.035 0.000 0.747 529 L CB -0.861 41.195 42.059 -0.005 0.000 0.896 529 L HN 0.331 nan 8.230 nan 0.000 0.432 530 D N 0.184 120.550 120.400 -0.058 0.000 2.117 530 D HA -0.141 4.500 4.640 0.001 0.000 0.197 530 D C 1.898 178.138 176.300 -0.100 0.000 0.987 530 D CA 1.199 55.168 54.000 -0.052 0.000 0.829 530 D CB -0.039 40.754 40.800 -0.012 0.000 0.961 530 D HN 0.109 nan 8.370 nan 0.000 0.460 531 K N 0.454 120.728 120.400 -0.209 0.000 2.404 531 K HA 0.117 4.437 4.320 0.001 0.000 0.194 531 K C 0.161 176.666 176.600 -0.157 0.000 1.023 531 K CA -0.042 56.108 56.287 -0.228 0.000 1.094 531 K CB 0.230 32.459 32.500 -0.452 0.000 0.841 531 K HN 0.240 nan 8.250 nan 0.000 0.523 532 Q N 0.688 120.418 119.800 -0.117 0.000 2.475 532 Q HA -0.199 4.141 4.340 0.001 0.000 0.280 532 Q C -0.290 175.668 176.000 -0.070 0.000 1.234 532 Q CA 0.374 56.134 55.803 -0.071 0.000 0.873 532 Q CB -2.093 26.617 28.738 -0.046 0.000 1.256 532 Q HN 0.302 nan 8.270 nan 0.000 0.475 533 L N -1.635 119.528 121.223 -0.100 0.000 2.482 533 L HA 0.245 4.585 4.340 0.001 0.000 0.242 533 L C 1.836 178.695 176.870 -0.019 0.000 1.210 533 L CA 0.545 55.344 54.840 -0.069 0.000 0.819 533 L CB 0.010 42.008 42.059 -0.101 0.000 1.203 533 L HN 0.279 nan 8.230 nan 0.000 0.495 534 G N -1.484 107.322 108.800 0.010 0.000 2.551 534 G HA2 0.417 4.377 3.960 0.001 0.000 0.216 534 G HA3 0.417 4.377 3.960 0.001 0.000 0.216 534 G C 0.500 175.417 174.900 0.030 0.000 1.137 534 G CA 0.703 45.825 45.100 0.036 0.000 0.798 534 G HN 0.957 nan 8.290 nan 0.000 0.536 535 G N -1.184 107.645 108.800 0.047 0.000 2.332 535 G HA2 0.290 4.250 3.960 0.001 0.000 0.265 535 G HA3 0.290 4.250 3.960 0.001 0.000 0.265 535 G C -1.702 173.273 174.900 0.124 0.000 1.329 535 G CA -0.832 44.306 45.100 0.063 0.000 0.949 535 G HN 0.394 nan 8.290 nan 0.000 0.476 536 L N 0.162 121.470 121.223 0.143 0.000 2.354 536 L HA 0.899 5.239 4.340 0.001 0.000 0.264 536 L C -0.448 176.597 176.870 0.292 0.000 1.008 536 L CA -0.989 53.965 54.840 0.191 0.000 0.819 536 L CB 2.152 44.263 42.059 0.085 0.000 1.339 536 L HN 0.851 nan 8.230 nan 0.000 0.420 537 F N -0.260 119.780 119.950 0.149 0.000 2.664 537 F HA 0.907 5.434 4.527 0.001 0.000 0.317 537 F C -0.783 175.124 175.800 0.177 0.000 1.108 537 F CA -0.898 57.174 58.000 0.119 0.000 0.957 537 F CB 1.757 40.781 39.000 0.039 0.000 1.365 537 F HN 0.413 nan 8.300 nan 0.000 0.475 538 S N 0.887 116.574 115.700 -0.021 0.000 2.564 538 S HA 0.569 5.040 4.470 0.001 0.000 0.274 538 S C -2.161 172.560 174.600 0.201 0.000 1.124 538 S CA -0.615 57.543 58.200 -0.069 0.000 0.869 538 S CB 2.100 65.273 63.200 -0.045 0.000 1.105 538 S HN 1.177 nan 8.310 nan 0.000 0.472 539 W N 3.206 124.440 121.300 -0.110 0.000 2.683 539 W HA 0.523 5.184 4.660 0.001 0.000 0.329 539 W C -1.313 175.200 176.519 -0.011 0.000 1.037 539 W CA -0.492 56.813 57.345 -0.066 0.000 1.232 539 W CB 1.664 30.963 29.460 -0.267 0.000 1.390 539 W HN 1.074 nan 8.180 nan 0.000 0.465 540 E N 4.037 123.929 120.200 -0.513 0.000 2.343 540 E HA 0.284 4.635 4.350 0.001 0.000 0.270 540 E C 0.108 176.401 176.600 -0.513 0.000 0.895 540 E CA -0.867 55.005 56.400 -0.880 0.000 0.767 540 E CB 2.501 31.178 29.700 -1.704 0.000 1.248 540 E HN 0.239 nan 8.360 nan 0.000 0.440 541 I N 2.018 122.324 120.570 -0.440 0.000 2.335 541 I HA -0.265 3.905 4.170 0.001 0.000 0.251 541 I C 1.706 177.422 176.117 -0.669 0.000 1.129 541 I CA 1.900 62.991 61.300 -0.347 0.000 1.402 541 I CB -0.426 37.494 38.000 -0.134 0.000 1.069 541 I HN 0.750 nan 8.210 nan 0.000 0.424 542 D N 0.208 119.983 120.400 -1.041 0.000 2.310 542 D HA -0.136 4.505 4.640 0.001 0.000 0.212 542 D C 1.778 177.686 176.300 -0.653 0.000 0.965 542 D CA 1.101 54.163 54.000 -1.564 0.000 0.879 542 D CB -0.161 39.942 40.800 -1.161 0.000 0.921 542 D HN 0.454 nan 8.370 nan 0.000 0.510 543 A N 0.328 122.933 122.820 -0.358 0.000 2.178 543 A HA 0.014 4.334 4.320 0.001 0.000 0.211 543 A C 0.840 178.447 177.584 0.039 0.000 1.157 543 A CA 0.014 52.010 52.037 -0.068 0.000 0.780 543 A CB -0.018 19.000 19.000 0.029 0.000 0.828 543 A HN 0.082 nan 8.150 nan 0.000 0.476 544 D N 0.142 120.538 120.400 -0.007 0.000 2.313 544 D HA 0.171 4.811 4.640 0.001 0.000 0.247 544 D C 0.711 177.099 176.300 0.148 0.000 1.094 544 D CA -0.079 53.987 54.000 0.109 0.000 0.925 544 D CB 0.685 41.497 40.800 0.019 0.000 1.188 544 D HN 0.280 nan 8.370 nan 0.000 0.430 545 N N 1.740 120.580 118.700 0.233 0.000 2.280 545 N HA 0.164 4.904 4.740 0.001 0.000 0.192 545 N C 1.163 176.761 175.510 0.146 0.000 1.109 545 N CA 0.531 53.681 53.050 0.167 0.000 0.855 545 N CB 0.842 39.410 38.487 0.136 0.000 0.974 545 N HN 0.549 nan 8.380 nan 0.000 0.482 546 G N 0.083 108.964 108.800 0.134 0.000 2.352 546 G HA2 -0.261 3.699 3.960 0.001 0.000 0.204 546 G HA3 -0.261 3.699 3.960 0.001 0.000 0.204 546 G C 0.611 175.558 174.900 0.078 0.000 1.004 546 G CA 0.241 45.403 45.100 0.102 0.000 0.648 546 G HN 0.270 nan 8.290 nan 0.000 0.491 547 D N 0.912 121.372 120.400 0.100 0.000 2.104 547 D HA -0.074 4.567 4.640 0.001 0.000 0.194 547 D C 2.573 178.830 176.300 -0.073 0.000 0.994 547 D CA 1.276 55.305 54.000 0.048 0.000 0.830 547 D CB -0.054 40.819 40.800 0.122 0.000 0.959 547 D HN 0.388 nan 8.370 nan 0.000 0.452 548 I N 0.413 120.875 120.570 -0.180 0.000 2.233 548 I HA -0.159 4.012 4.170 0.001 0.000 0.243 548 I C 2.431 178.477 176.117 -0.118 0.000 1.093 548 I CA 0.549 61.717 61.300 -0.220 0.000 1.380 548 I CB -1.035 36.791 38.000 -0.290 0.000 1.067 548 I HN 0.046 nan 8.210 nan 0.000 0.413 549 L N 1.506 122.685 121.223 -0.074 0.000 2.093 549 L HA -0.134 4.207 4.340 0.001 0.000 0.208 549 L C 2.112 178.924 176.870 -0.097 0.000 1.085 549 L CA 1.694 56.497 54.840 -0.061 0.000 0.755 549 L CB -0.906 41.144 42.059 -0.015 0.000 0.904 549 L HN 0.185 nan 8.230 nan 0.000 0.435 550 N N -0.784 117.891 118.700 -0.041 0.000 2.069 550 N HA -0.207 4.534 4.740 0.001 0.000 0.191 550 N C 2.069 177.468 175.510 -0.186 0.000 1.031 550 N CA 1.609 54.634 53.050 -0.041 0.000 0.852 550 N CB -0.621 37.949 38.487 0.139 0.000 1.018 550 N HN 0.411 nan 8.380 nan 0.000 0.423 551 S N 0.376 116.016 115.700 -0.101 0.000 2.383 551 S HA 0.009 4.479 4.470 0.001 0.000 0.227 551 S C 1.952 176.475 174.600 -0.128 0.000 1.026 551 S CA 0.774 58.916 58.200 -0.095 0.000 0.981 551 S CB -0.067 63.097 63.200 -0.059 0.000 0.818 551 S HN 0.200 nan 8.310 nan 0.000 0.472 552 M N 1.393 120.913 119.600 -0.133 0.000 2.080 552 M HA -0.127 4.354 4.480 0.001 0.000 0.260 552 M C 2.168 178.365 176.300 -0.172 0.000 1.068 552 M CA 1.501 56.734 55.300 -0.113 0.000 1.109 552 M CB -0.585 31.967 32.600 -0.080 0.000 1.342 552 M HN 0.321 nan 8.290 nan 0.000 0.405 553 N N 0.457 118.960 118.700 -0.330 0.000 2.084 553 N HA -0.096 4.645 4.740 0.001 0.000 0.190 553 N C 1.806 177.055 175.510 -0.436 0.000 1.030 553 N CA 1.755 54.510 53.050 -0.492 0.000 0.849 553 N CB -0.208 37.656 38.487 -1.039 0.000 1.012 553 N HN 0.336 nan 8.380 nan 0.000 0.423 554 A N 1.112 123.649 122.820 -0.471 0.000 1.877 554 A HA -0.146 4.175 4.320 0.001 0.000 0.216 554 A C 2.393 179.950 177.584 -0.046 0.000 1.186 554 A CA 2.199 54.160 52.037 -0.127 0.000 0.620 554 A CB -0.795 18.205 19.000 0.001 0.000 0.822 554 A HN 0.478 nan 8.150 nan 0.000 0.443 555 S N -0.561 115.102 115.700 -0.061 0.000 2.481 555 S HA 0.071 4.542 4.470 0.001 0.000 0.231 555 S C 1.511 176.106 174.600 -0.009 0.000 0.996 555 S CA 1.101 59.290 58.200 -0.019 0.000 0.942 555 S CB -0.435 62.757 63.200 -0.014 0.000 0.768 555 S HN 0.418 nan 8.310 nan 0.000 0.520 556 L N 0.747 121.954 121.223 -0.027 0.000 2.592 556 L HA 0.344 4.685 4.340 0.001 0.000 0.227 556 L C 1.714 178.588 176.870 0.007 0.000 1.127 556 L CA 0.380 55.217 54.840 -0.006 0.000 0.884 556 L CB -0.309 41.745 42.059 -0.009 0.000 1.065 556 L HN 0.598 nan 8.230 nan 0.000 0.457 557 G N -0.131 108.675 108.800 0.010 0.000 2.131 557 G HA2 -0.238 3.723 3.960 0.001 0.000 0.223 557 G HA3 -0.238 3.723 3.960 0.001 0.000 0.223 557 G C -0.027 174.908 174.900 0.058 0.000 0.990 557 G CA -0.405 44.716 45.100 0.036 0.000 0.671 557 G HN 0.300 nan 8.290 nan 0.000 0.521 558 N N 1.053 119.788 118.700 0.059 0.000 2.492 558 N HA 0.397 5.137 4.740 0.001 0.000 0.262 558 N C 0.595 176.244 175.510 0.231 0.000 1.202 558 N CA 0.429 53.553 53.050 0.124 0.000 0.926 558 N CB 0.969 39.521 38.487 0.108 0.000 1.078 558 N HN 0.306 nan 8.380 nan 0.000 0.454 559 S N 0.742 116.548 115.700 0.177 0.000 2.564 559 S HA 0.375 4.846 4.470 0.001 0.000 0.278 559 S C 0.497 175.156 174.600 0.099 0.000 1.333 559 S CA -0.881 57.397 58.200 0.130 0.000 1.048 559 S CB 0.855 64.094 63.200 0.065 0.000 0.900 559 S HN 0.646 nan 8.310 nan 0.000 0.505 560 A N 2.183 124.982 122.820 -0.035 0.000 2.425 560 A HA 0.680 5.001 4.320 0.001 0.000 0.242 560 A C 0.963 178.434 177.584 -0.188 0.000 1.077 560 A CA 0.420 52.275 52.037 -0.302 0.000 0.781 560 A CB -0.580 18.267 19.000 -0.256 0.000 1.020 560 A HN 1.626 nan 8.150 nan 0.000 0.494 561 G N 0.000 108.662 108.800 -0.231 0.000 5.446 561 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 561 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 561 G CA 0.000 45.023 45.100 -0.127 0.000 0.502 561 G HN 0.000 nan 8.290 nan 0.000 0.925