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 1zro_1_A DATA FIRST_RESID 8 DATA SEQUENCE NEVLSNcREK RKGMKWDcKK KNDRSNYVcI PDRRIQLcIV NLAIIKTYTK DATA SEQUENCE ETMKDHFIEA SKKESQLLLK KNDNKYNSKF cNDLKNSFLD YGHLAMGNDM DATA SEQUENCE DFGGYSTKAE NKIQEVFKGA HGEISEHKIK NFRKKWWNEF REKLWEAMLS DATA SEQUENCE EHKNNIXXcK NIPQEELQIT QWIKEWHGEF LLERDNRAKL PKSKcKNNAL DATA SEQUENCE YEAcEKEcID PcMKYRDWII RSKFEWHTLS KEYETQKVPK ENAENYLIKI DATA SEQUENCE SENKNDAKVS LLLNNCDAEY SKYcDcKHTT TLVKSVLNGN DNTIKEKREH DATA SEQUENCE IDLDDFSKFG cDKNSVDTNT KVWEcKKPYK LSTKDVcVPP RRQELcLGNI DATA SEQUENCE DRIYDKNLLM IKEHILAIAI YESRILKRKY KNKDDKEVcK IINKTFADIR DATA SEQUENCE DIIGGTDYWN DLSNRKLVGK INTNSNYVHR NKQNDKLFRD EWWKVIKKDV DATA SEQUENCE WNVISWVFKD KTVcKEDDIE NIPQFFRWFS EWGDDYcQDK TKMIETLKVE DATA SEQUENCE cXXXXcEDDN cKRKcNSYKE WISKKKEEYN KQAKQYQEYQ KGNNYKMYSE DATA SEQUENCE FKSIKPEVYL KKYSEKcSNL NFEDEFKEEL HSDYKNKcTM cPEV 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 8 N HA 0.000 nan 4.740 nan 0.000 0.220 8 N C 0.000 175.492 175.510 -0.029 0.000 1.280 8 N CA 0.000 53.029 53.050 -0.036 0.000 0.885 8 N CB 0.000 38.477 38.487 -0.017 0.000 1.341 9 E N 0.571 120.751 120.200 -0.032 0.000 2.340 9 E HA 0.033 4.383 4.350 -0.001 0.000 0.194 9 E C 1.822 178.401 176.600 -0.036 0.000 0.996 9 E CA 1.053 57.438 56.400 -0.026 0.000 0.869 9 E CB 0.226 29.914 29.700 -0.020 0.000 0.835 9 E HN 0.314 nan 8.360 nan 0.000 0.493 10 V N -0.697 119.183 119.914 -0.057 0.000 2.759 10 V HA -0.124 3.995 4.120 -0.001 0.000 0.256 10 V C 2.095 178.141 176.094 -0.080 0.000 1.080 10 V CA 1.266 63.521 62.300 -0.075 0.000 1.101 10 V CB -0.720 31.034 31.823 -0.114 0.000 0.698 10 V HN 0.215 nan 8.190 nan 0.000 0.477 11 L N 1.961 123.144 121.223 -0.068 0.000 2.191 11 L HA -0.117 4.223 4.340 -0.001 0.000 0.212 11 L C 2.923 179.780 176.870 -0.022 0.000 1.103 11 L CA 1.660 56.471 54.840 -0.049 0.000 0.769 11 L CB -0.631 41.410 42.059 -0.030 0.000 0.908 11 L HN 0.661 nan 8.230 nan 0.000 0.438 12 S N -0.494 115.196 115.700 -0.017 0.000 2.465 12 S HA -0.147 4.322 4.470 -0.001 0.000 0.241 12 S C 1.501 176.102 174.600 0.002 0.000 1.000 12 S CA 1.188 59.386 58.200 -0.003 0.000 0.964 12 S CB -0.460 62.738 63.200 -0.003 0.000 0.763 12 S HN 0.459 nan 8.310 nan 0.000 0.512 13 N N 0.707 119.402 118.700 -0.008 0.000 2.494 13 N HA 0.109 4.848 4.740 -0.001 0.000 0.182 13 N C -0.151 175.373 175.510 0.023 0.000 1.076 13 N CA 0.117 53.172 53.050 0.009 0.000 0.908 13 N CB -0.831 37.658 38.487 0.003 0.000 0.967 13 N HN 0.395 nan 8.380 nan 0.000 0.449 14 c N 3.057 121.664 118.600 0.011 0.000 2.663 14 c HA 0.152 4.722 4.570 -0.001 0.000 0.398 14 c C 1.143 175.256 174.090 0.037 0.000 1.356 14 c CA -0.739 55.608 56.329 0.030 0.000 1.629 14 c CB -1.387 41.141 42.510 0.031 0.000 2.402 14 c HN 0.261 nan 8.230 nan 0.000 0.598 15 R N 2.040 122.566 120.500 0.043 0.000 2.637 15 R HA 0.182 4.521 4.340 -0.001 0.000 0.269 15 R C 0.305 176.624 176.300 0.032 0.000 1.089 15 R CA -0.393 55.729 56.100 0.036 0.000 1.177 15 R CB 0.635 30.957 30.300 0.035 0.000 1.091 15 R HN 0.691 nan 8.270 nan 0.000 0.540 16 E N 2.126 122.341 120.200 0.026 0.000 2.529 16 E HA -0.081 4.268 4.350 -0.001 0.000 0.259 16 E C -0.381 176.231 176.600 0.020 0.000 0.966 16 E CA 0.526 56.940 56.400 0.023 0.000 0.937 16 E CB 0.481 30.191 29.700 0.017 0.000 0.923 16 E HN 0.022 nan 8.360 nan 0.000 0.468 17 K N 3.708 124.121 120.400 0.023 0.000 2.326 17 K HA 0.117 4.437 4.320 -0.001 0.000 0.275 17 K C 0.348 176.953 176.600 0.008 0.000 1.018 17 K CA 0.011 56.307 56.287 0.016 0.000 0.962 17 K CB 0.532 33.047 32.500 0.024 0.000 0.953 17 K HN 0.535 nan 8.250 nan 0.000 0.475 18 R N 1.452 121.952 120.500 0.000 0.000 2.536 18 R HA 0.409 4.749 4.340 -0.001 0.000 0.279 18 R C -0.220 176.080 176.300 -0.001 0.000 1.001 18 R CA -0.756 55.344 56.100 0.001 0.000 1.027 18 R CB 1.035 31.336 30.300 0.001 0.000 1.096 18 R HN 0.375 nan 8.270 nan 0.000 0.502 19 K N 0.351 120.754 120.400 0.005 0.000 2.123 19 K HA 0.617 4.937 4.320 -0.001 0.000 0.248 19 K C -0.143 176.466 176.600 0.015 0.000 0.969 19 K CA -0.286 56.006 56.287 0.008 0.000 0.882 19 K CB 1.699 34.202 32.500 0.006 0.000 1.080 19 K HN 0.925 nan 8.250 nan 0.000 0.441 20 G N 0.945 109.759 108.800 0.023 0.000 2.587 20 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.686 20 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.686 20 G C -0.813 174.131 174.900 0.075 0.000 1.236 20 G CA -0.960 44.166 45.100 0.043 0.000 0.820 20 G HN 0.589 nan 8.290 nan 0.000 0.645 21 M N 1.258 120.933 119.600 0.125 0.000 2.268 21 M HA 0.499 4.979 4.480 -0.001 0.000 0.349 21 M C 0.085 176.550 176.300 0.274 0.000 1.485 21 M CA 0.433 55.874 55.300 0.235 0.000 1.094 21 M CB -0.011 32.756 32.600 0.279 0.000 1.843 21 M HN 0.612 nan 8.290 nan 0.000 0.460 22 K N 5.286 125.844 120.400 0.264 0.000 2.589 22 K HA 0.343 4.663 4.320 -0.001 0.000 0.253 22 K C -2.583 174.099 176.600 0.136 0.000 0.974 22 K CA -0.554 55.876 56.287 0.237 0.000 0.835 22 K CB 1.274 33.833 32.500 0.098 0.000 1.272 22 K HN 0.709 nan 8.250 nan 0.000 0.444 23 W N 2.470 123.837 121.300 0.111 0.000 2.739 23 W HA 0.308 4.967 4.660 -0.000 0.000 0.331 23 W C -0.813 175.750 176.519 0.075 0.000 1.049 23 W CA -0.370 57.024 57.345 0.080 0.000 1.234 23 W CB 1.798 31.356 29.460 0.163 0.000 1.404 23 W HN 0.486 nan 8.180 nan 0.000 0.477 24 D N 2.074 122.579 120.400 0.175 0.000 2.380 24 D HA 0.278 4.918 4.640 -0.001 0.000 0.230 24 D C -0.780 175.652 176.300 0.220 0.000 1.154 24 D CA 0.080 54.167 54.000 0.146 0.000 0.859 24 D CB 0.428 41.245 40.800 0.028 0.000 1.045 24 D HN 0.156 nan 8.370 nan 0.000 0.495 25 c N 4.982 123.755 118.600 0.288 0.000 2.303 25 c HA 0.526 5.096 4.570 -0.001 0.000 0.341 25 c C 0.310 174.700 174.090 0.500 0.000 1.244 25 c CA -0.778 55.789 56.329 0.396 0.000 1.765 25 c CB -1.214 41.573 42.510 0.462 0.000 2.379 25 c HN 0.567 nan 8.230 nan 0.000 0.530 26 K N 1.990 122.711 120.400 0.535 0.000 2.522 26 K HA 0.664 4.983 4.320 -0.001 0.000 0.275 26 K C -1.537 175.268 176.600 0.341 0.000 1.006 26 K CA -0.889 55.674 56.287 0.461 0.000 0.890 26 K CB 1.795 34.493 32.500 0.330 0.000 1.475 26 K HN 0.382 nan 8.250 nan 0.000 0.441 27 K N 1.311 121.737 120.400 0.043 0.000 2.323 27 K HA 0.168 4.488 4.320 -0.001 0.000 0.259 27 K C 0.184 176.651 176.600 -0.221 0.000 0.947 27 K CA -0.565 55.579 56.287 -0.238 0.000 0.819 27 K CB 1.776 33.949 32.500 -0.545 0.000 1.109 27 K HN 0.715 nan 8.250 nan 0.000 0.429 28 K N 2.247 122.239 120.400 -0.679 0.000 2.002 28 K HA -0.177 4.143 4.320 -0.001 0.000 0.209 28 K C 0.229 176.610 176.600 -0.366 0.000 1.048 28 K CA 2.017 57.743 56.287 -0.934 0.000 0.930 28 K CB 0.104 31.855 32.500 -1.247 0.000 0.714 28 K HN 0.731 nan 8.250 nan 0.000 0.438 29 N N -2.029 116.492 118.700 -0.298 0.000 3.243 29 N HA 0.098 4.838 4.740 -0.001 0.000 0.280 29 N C -0.753 174.663 175.510 -0.158 0.000 1.545 29 N CA -0.676 52.268 53.050 -0.178 0.000 0.854 29 N CB 0.416 38.814 38.487 -0.148 0.000 1.612 29 N HN -0.239 nan 8.380 nan 0.000 0.577 30 D N -0.586 119.750 120.400 -0.107 0.000 2.371 30 D HA 0.013 4.653 4.640 -0.001 0.000 0.221 30 D C 0.964 177.217 176.300 -0.079 0.000 0.986 30 D CA 0.567 54.516 54.000 -0.085 0.000 0.899 30 D CB 0.092 40.860 40.800 -0.052 0.000 0.902 30 D HN 0.429 nan 8.370 nan 0.000 0.530 31 R N 0.299 120.746 120.500 -0.089 0.000 2.119 31 R HA 0.076 4.415 4.340 -0.001 0.000 0.222 31 R C 0.993 177.238 176.300 -0.091 0.000 1.088 31 R CA 0.371 56.424 56.100 -0.078 0.000 0.984 31 R CB 0.245 30.500 30.300 -0.075 0.000 0.884 31 R HN -0.055 nan 8.270 nan 0.000 0.447 32 S N 0.515 116.136 115.700 -0.132 0.000 2.693 32 S HA 0.249 4.719 4.470 -0.001 0.000 0.276 32 S C -0.056 174.467 174.600 -0.129 0.000 1.192 32 S CA -0.847 57.267 58.200 -0.143 0.000 0.994 32 S CB 1.111 64.178 63.200 -0.220 0.000 1.012 32 S HN 0.101 nan 8.310 nan 0.000 0.550 33 N N -0.342 118.305 118.700 -0.089 0.000 2.476 33 N HA 0.362 5.101 4.740 -0.001 0.000 0.276 33 N C -0.996 174.496 175.510 -0.029 0.000 1.204 33 N CA -0.399 52.633 53.050 -0.031 0.000 0.974 33 N CB 0.081 38.578 38.487 0.016 0.000 1.204 33 N HN 0.476 nan 8.380 nan 0.000 0.543 34 Y N -0.167 120.188 120.300 0.092 0.000 2.597 34 Y HA 0.127 4.677 4.550 -0.001 0.000 0.336 34 Y C 0.501 176.464 175.900 0.106 0.000 1.216 34 Y CA 0.353 58.546 58.100 0.154 0.000 1.463 34 Y CB 0.488 39.108 38.460 0.267 0.000 1.303 34 Y HN -0.003 nan 8.280 nan 0.000 0.576 35 V N 2.743 122.872 119.914 0.359 0.000 2.638 35 V HA 0.303 4.423 4.120 -0.001 0.000 0.306 35 V C -0.963 175.314 176.094 0.306 0.000 1.052 35 V CA -1.168 61.306 62.300 0.290 0.000 0.885 35 V CB 1.834 33.873 31.823 0.360 0.000 0.999 35 V HN 0.815 nan 8.190 nan 0.000 0.424 36 c N 6.107 124.859 118.600 0.254 0.000 2.281 36 c HA 0.707 5.276 4.570 -0.001 0.000 0.325 36 c C 0.034 174.342 174.090 0.363 0.000 1.282 36 c CA -0.597 55.905 56.329 0.288 0.000 1.640 36 c CB -0.395 42.218 42.510 0.171 0.000 2.288 36 c HN 0.677 nan 8.230 nan 0.000 0.507 37 I N 6.492 127.164 120.570 0.170 0.000 2.436 37 I HA 0.369 4.539 4.170 -0.001 0.000 0.289 37 I C -2.152 173.624 176.117 -0.569 0.000 1.010 37 I CA -1.861 59.270 61.300 -0.281 0.000 1.098 37 I CB 2.160 40.040 38.000 -0.201 0.000 1.266 37 I HN 0.392 nan 8.210 nan 0.000 0.434 38 P HA 0.064 nan 4.420 nan 0.000 0.275 38 P C -0.102 176.684 177.300 -0.856 0.000 1.228 38 P CA -0.053 62.037 63.100 -1.683 0.000 0.786 38 P CB 1.201 31.661 31.700 -2.067 0.000 0.927 39 D N 1.432 121.454 120.400 -0.630 0.000 2.218 39 D HA -0.161 4.479 4.640 -0.001 0.000 0.204 39 D C 1.947 178.076 176.300 -0.285 0.000 0.976 39 D CA 1.002 54.801 54.000 -0.334 0.000 0.853 39 D CB -0.193 40.484 40.800 -0.205 0.000 0.939 39 D HN 0.293 nan 8.370 nan 0.000 0.481 40 R N -0.072 120.223 120.500 -0.341 0.000 2.081 40 R HA -0.155 4.185 4.340 -0.001 0.000 0.235 40 R C 2.119 178.290 176.300 -0.215 0.000 1.131 40 R CA 1.154 57.117 56.100 -0.228 0.000 0.960 40 R CB -0.050 30.126 30.300 -0.208 0.000 0.856 40 R HN -0.000 nan 8.270 nan 0.000 0.436 41 R N 1.127 121.436 120.500 -0.318 0.000 2.073 41 R HA -0.054 4.285 4.340 -0.001 0.000 0.234 41 R C 2.100 178.300 176.300 -0.165 0.000 1.134 41 R CA 1.476 57.446 56.100 -0.217 0.000 0.952 41 R CB -0.702 29.438 30.300 -0.266 0.000 0.850 41 R HN 0.234 nan 8.270 nan 0.000 0.433 42 I N 0.915 121.361 120.570 -0.207 0.000 2.248 42 I HA -0.276 3.894 4.170 -0.001 0.000 0.248 42 I C 1.711 177.779 176.117 -0.081 0.000 1.107 42 I CA 1.718 62.932 61.300 -0.143 0.000 1.373 42 I CB -0.910 37.000 38.000 -0.149 0.000 1.055 42 I HN 0.412 nan 8.210 nan 0.000 0.418 43 Q N -0.207 119.545 119.800 -0.080 0.000 2.319 43 Q HA 0.082 4.422 4.340 -0.001 0.000 0.202 43 Q C 0.543 176.532 176.000 -0.018 0.000 0.896 43 Q CA -0.472 55.312 55.803 -0.032 0.000 0.942 43 Q CB 0.406 29.126 28.738 -0.029 0.000 1.083 43 Q HN 0.241 nan 8.270 nan 0.000 0.510 44 L N 1.440 122.629 121.223 -0.056 0.000 2.720 44 L HA -0.144 4.195 4.340 -0.001 0.000 0.289 44 L C -0.187 176.678 176.870 -0.008 0.000 1.232 44 L CA 0.510 55.301 54.840 -0.082 0.000 0.915 44 L CB 0.308 42.254 42.059 -0.188 0.000 1.184 44 L HN 0.225 nan 8.230 nan 0.000 0.491 45 c N 7.456 126.096 118.600 0.067 0.000 2.610 45 c HA 0.346 4.915 4.570 -0.001 0.000 0.382 45 c C 1.351 175.525 174.090 0.139 0.000 1.287 45 c CA -0.102 56.293 56.329 0.109 0.000 1.640 45 c CB -2.102 40.495 42.510 0.146 0.000 2.335 45 c HN 0.826 nan 8.230 nan 0.000 0.577 46 I N 3.661 124.254 120.570 0.038 0.000 4.310 46 I HA 0.209 4.379 4.170 -0.001 0.000 0.328 46 I C 1.188 177.217 176.117 -0.148 0.000 1.406 46 I CA 0.085 61.379 61.300 -0.011 0.000 1.174 46 I CB -0.294 37.718 38.000 0.019 0.000 1.279 46 I HN 0.390 nan 8.210 nan 0.000 0.471 47 V N 3.999 123.763 119.914 -0.250 0.000 2.469 47 V HA -0.273 3.847 4.120 -0.001 0.000 0.251 47 V C 2.508 178.357 176.094 -0.409 0.000 1.064 47 V CA 2.906 64.870 62.300 -0.559 0.000 1.066 47 V CB -0.675 30.806 31.823 -0.569 0.000 0.667 47 V HN 0.812 nan 8.190 nan 0.000 0.461 48 N N 0.276 118.806 118.700 -0.283 0.000 2.188 48 N HA -0.153 4.587 4.740 -0.001 0.000 0.184 48 N C 1.598 176.920 175.510 -0.314 0.000 1.018 48 N CA 1.690 54.553 53.050 -0.312 0.000 0.858 48 N CB -0.862 37.435 38.487 -0.316 0.000 0.989 48 N HN 0.404 nan 8.380 nan 0.000 0.426 49 L N 0.800 121.893 121.223 -0.217 0.000 2.191 49 L HA 0.076 4.416 4.340 -0.001 0.000 0.212 49 L C 2.538 179.381 176.870 -0.046 0.000 1.103 49 L CA 1.154 55.934 54.840 -0.100 0.000 0.769 49 L CB -1.350 40.621 42.059 -0.147 0.000 0.908 49 L HN 0.359 nan 8.230 nan 0.000 0.438 50 A N -1.581 121.180 122.820 -0.099 0.000 2.021 50 A HA 0.042 4.362 4.320 -0.001 0.000 0.216 50 A C 2.063 179.633 177.584 -0.023 0.000 1.163 50 A CA 0.926 52.950 52.037 -0.022 0.000 0.676 50 A CB -0.070 18.922 19.000 -0.013 0.000 0.818 50 A HN 0.241 nan 8.150 nan 0.000 0.453 51 I N -0.787 119.717 120.570 -0.110 0.000 3.718 51 I HA 0.263 4.433 4.170 -0.001 0.000 0.297 51 I C 0.444 176.514 176.117 -0.078 0.000 1.220 51 I CA 0.272 61.522 61.300 -0.084 0.000 1.381 51 I CB -0.455 37.460 38.000 -0.142 0.000 1.238 51 I HN 0.091 nan 8.210 nan 0.000 0.448 52 I N 2.228 122.717 120.570 -0.134 0.000 2.441 52 I HA 0.032 4.201 4.170 -0.001 0.000 0.287 52 I C 0.950 177.035 176.117 -0.053 0.000 1.049 52 I CA -0.077 61.148 61.300 -0.126 0.000 1.381 52 I CB 0.422 38.267 38.000 -0.258 0.000 1.409 52 I HN 0.035 nan 8.210 nan 0.000 0.523 53 K N 5.290 125.657 120.400 -0.057 0.000 2.453 53 K HA 0.110 4.429 4.320 -0.001 0.000 0.280 53 K C -0.858 175.649 176.600 -0.156 0.000 1.045 53 K CA 0.489 56.724 56.287 -0.086 0.000 1.059 53 K CB 0.256 32.688 32.500 -0.113 0.000 0.901 53 K HN 0.646 nan 8.250 nan 0.000 0.475 54 T N 4.648 119.131 114.554 -0.119 0.000 2.971 54 T HA 0.242 4.592 4.350 -0.001 0.000 0.304 54 T C -0.391 174.297 174.700 -0.021 0.000 1.038 54 T CA -0.630 61.408 62.100 -0.103 0.000 1.007 54 T CB 0.691 69.621 68.868 0.104 0.000 1.055 54 T HN 0.417 nan 8.240 nan 0.000 0.451 55 Y N 1.288 121.587 120.300 -0.001 0.000 2.524 55 Y HA 0.246 4.795 4.550 -0.001 0.000 0.270 55 Y C 1.851 177.701 175.900 -0.082 0.000 1.094 55 Y CA -0.255 57.824 58.100 -0.035 0.000 1.276 55 Y CB 0.101 38.538 38.460 -0.038 0.000 1.130 55 Y HN 0.671 nan 8.280 nan 0.000 0.536 56 T N -3.194 111.389 114.554 0.047 0.000 2.908 56 T HA 0.368 4.717 4.350 -0.001 0.000 0.290 56 T C 0.696 175.322 174.700 -0.122 0.000 1.034 56 T CA -0.889 61.173 62.100 -0.064 0.000 1.010 56 T CB 2.645 71.485 68.868 -0.046 0.000 1.068 56 T HN -0.069 nan 8.240 nan 0.000 0.481 57 K N 0.423 120.671 120.400 -0.254 0.000 2.097 57 K HA -0.119 4.200 4.320 -0.001 0.000 0.206 57 K C 1.899 178.548 176.600 0.081 0.000 1.049 57 K CA 1.696 57.782 56.287 -0.335 0.000 0.933 57 K CB -0.072 32.019 32.500 -0.682 0.000 0.717 57 K HN 0.642 nan 8.250 nan 0.000 0.442 58 E N -0.213 120.005 120.200 0.030 0.000 2.072 58 E HA -0.105 4.244 4.350 -0.001 0.000 0.191 58 E C 1.968 178.556 176.600 -0.021 0.000 0.985 58 E CA 1.491 57.924 56.400 0.055 0.000 0.801 58 E CB -0.315 29.389 29.700 0.007 0.000 0.750 58 E HN 0.170 nan 8.360 nan 0.000 0.452 59 T N 0.651 115.154 114.554 -0.083 0.000 2.821 59 T HA -0.134 4.215 4.350 -0.001 0.000 0.267 59 T C 1.752 176.239 174.700 -0.355 0.000 1.046 59 T CA 1.260 63.219 62.100 -0.235 0.000 1.139 59 T CB -0.198 68.522 68.868 -0.247 0.000 0.871 59 T HN 0.039 nan 8.240 nan 0.000 0.454 60 M N 1.965 121.521 119.600 -0.073 0.000 2.108 60 M HA -0.057 4.423 4.480 -0.001 0.000 0.261 60 M C 2.107 178.631 176.300 0.374 0.000 1.066 60 M CA 1.631 57.055 55.300 0.207 0.000 1.107 60 M CB -0.430 32.407 32.600 0.396 0.000 1.356 60 M HN 0.137 nan 8.290 nan 0.000 0.406 61 K N -0.451 120.107 120.400 0.262 0.000 2.032 61 K HA -0.233 4.087 4.320 -0.001 0.000 0.209 61 K C 1.430 177.858 176.600 -0.287 0.000 1.048 61 K CA 2.120 58.163 56.287 -0.407 0.000 0.927 61 K CB -0.501 31.572 32.500 -0.711 0.000 0.712 61 K HN 0.353 nan 8.250 nan 0.000 0.441 62 D N 0.271 120.570 120.400 -0.169 0.000 2.144 62 D HA -0.163 4.477 4.640 -0.001 0.000 0.199 62 D C 2.001 178.318 176.300 0.030 0.000 0.984 62 D CA 1.060 55.000 54.000 -0.100 0.000 0.834 62 D CB -0.388 40.343 40.800 -0.115 0.000 0.955 62 D HN 0.410 nan 8.370 nan 0.000 0.465 63 H N -0.171 118.928 119.070 0.048 0.000 2.353 63 H HA -0.065 4.491 4.556 -0.001 0.000 0.300 63 H C 2.148 177.482 175.328 0.010 0.000 1.090 63 H CA 0.529 56.591 56.048 0.023 0.000 1.327 63 H CB -0.836 28.938 29.762 0.020 0.000 1.383 63 H HN 0.192 nan 8.280 nan 0.000 0.508 64 F N 0.588 120.607 119.950 0.114 0.000 2.091 64 F HA -0.224 4.302 4.527 -0.001 0.000 0.299 64 F C 2.455 178.212 175.800 -0.072 0.000 1.103 64 F CA 0.826 58.847 58.000 0.036 0.000 1.228 64 F CB -0.281 38.812 39.000 0.156 0.000 0.984 64 F HN 0.070 nan 8.300 nan 0.000 0.477 65 I N -0.022 120.642 120.570 0.156 0.000 2.127 65 I HA -0.252 3.918 4.170 -0.001 0.000 0.241 65 I C 2.359 178.504 176.117 0.046 0.000 1.075 65 I CA 1.496 62.851 61.300 0.092 0.000 1.334 65 I CB -1.440 36.593 38.000 0.055 0.000 1.040 65 I HN 0.174 nan 8.210 nan 0.000 0.405 66 E N 0.956 121.185 120.200 0.049 0.000 2.077 66 E HA -0.158 4.191 4.350 -0.001 0.000 0.193 66 E C 2.333 178.947 176.600 0.022 0.000 0.989 66 E CA 1.477 57.900 56.400 0.038 0.000 0.800 66 E CB -0.339 29.393 29.700 0.053 0.000 0.746 66 E HN 0.486 nan 8.360 nan 0.000 0.452 67 A N 1.570 124.387 122.820 -0.005 0.000 1.908 67 A HA -0.213 4.107 4.320 -0.001 0.000 0.218 67 A C 2.444 180.053 177.584 0.041 0.000 1.181 67 A CA 2.474 54.511 52.037 0.001 0.000 0.627 67 A CB -0.700 18.280 19.000 -0.034 0.000 0.818 67 A HN 0.365 nan 8.150 nan 0.000 0.445 68 S N -0.153 115.487 115.700 -0.101 0.000 2.399 68 S HA -0.172 4.297 4.470 -0.001 0.000 0.231 68 S C 1.830 176.516 174.600 0.143 0.000 1.022 68 S CA 1.468 59.660 58.200 -0.013 0.000 0.983 68 S CB -0.349 62.782 63.200 -0.115 0.000 0.803 68 S HN 0.617 nan 8.310 nan 0.000 0.480 69 K N 1.203 121.659 120.400 0.093 0.000 2.025 69 K HA -0.043 4.277 4.320 -0.001 0.000 0.207 69 K C 2.303 178.972 176.600 0.114 0.000 1.049 69 K CA 1.485 57.829 56.287 0.095 0.000 0.933 69 K CB -0.213 32.318 32.500 0.051 0.000 0.714 69 K HN 0.320 nan 8.250 nan 0.000 0.438 70 K N 1.999 122.459 120.400 0.101 0.000 2.057 70 K HA -0.217 4.103 4.320 -0.001 0.000 0.207 70 K C 1.941 178.629 176.600 0.146 0.000 1.049 70 K CA 1.853 58.202 56.287 0.102 0.000 0.931 70 K CB -0.241 32.303 32.500 0.074 0.000 0.714 70 K HN 0.021 nan 8.250 nan 0.000 0.440 71 E N 0.098 120.416 120.200 0.196 0.000 2.058 71 E HA -0.179 4.171 4.350 -0.001 0.000 0.194 71 E C 1.994 178.736 176.600 0.236 0.000 0.997 71 E CA 1.910 58.449 56.400 0.232 0.000 0.801 71 E CB -0.767 29.149 29.700 0.359 0.000 0.746 71 E HN 0.298 nan 8.360 nan 0.000 0.450 72 S N -0.478 115.381 115.700 0.267 0.000 2.353 72 S HA -0.288 4.181 4.470 -0.001 0.000 0.222 72 S C 2.037 176.888 174.600 0.419 0.000 1.035 72 S CA 1.795 60.200 58.200 0.341 0.000 1.025 72 S CB -0.507 62.916 63.200 0.373 0.000 0.902 72 S HN 0.524 nan 8.310 nan 0.000 0.440 73 Q N 0.169 120.155 119.800 0.311 0.000 2.045 73 Q HA -0.175 4.164 4.340 -0.001 0.000 0.206 73 Q C 2.201 178.312 176.000 0.185 0.000 0.991 73 Q CA 2.044 57.990 55.803 0.238 0.000 0.851 73 Q CB -0.364 28.451 28.738 0.128 0.000 0.911 73 Q HN 0.624 nan 8.270 nan 0.000 0.418 74 L N 0.382 121.698 121.223 0.155 0.000 2.201 74 L HA -0.149 4.190 4.340 -0.001 0.000 0.212 74 L C 2.416 179.362 176.870 0.126 0.000 1.105 74 L CA 0.476 55.383 54.840 0.112 0.000 0.775 74 L CB -0.227 41.889 42.059 0.094 0.000 0.913 74 L HN 0.300 nan 8.230 nan 0.000 0.440 75 L N -0.880 120.462 121.223 0.198 0.000 2.217 75 L HA -0.186 4.154 4.340 -0.001 0.000 0.211 75 L C 2.426 179.476 176.870 0.301 0.000 1.107 75 L CA 0.391 55.377 54.840 0.244 0.000 0.783 75 L CB -0.245 41.964 42.059 0.250 0.000 0.919 75 L HN 0.264 nan 8.230 nan 0.000 0.442 76 L N 0.123 121.460 121.223 0.191 0.000 2.005 76 L HA -0.174 4.166 4.340 -0.001 0.000 0.207 76 L C 2.456 179.202 176.870 -0.206 0.000 1.072 76 L CA 1.815 56.468 54.840 -0.311 0.000 0.744 76 L CB -0.457 41.362 42.059 -0.400 0.000 0.895 76 L HN 0.046 nan 8.230 nan 0.000 0.433 77 K N -0.382 119.974 120.400 -0.073 0.000 2.113 77 K HA -0.263 4.056 4.320 -0.001 0.000 0.208 77 K C 2.187 178.765 176.600 -0.037 0.000 1.047 77 K CA 1.823 58.078 56.287 -0.053 0.000 0.928 77 K CB -0.266 32.228 32.500 -0.010 0.000 0.716 77 K HN 0.285 nan 8.250 nan 0.000 0.446 78 K N 1.085 121.486 120.400 0.000 0.000 2.152 78 K HA -0.168 4.151 4.320 -0.001 0.000 0.206 78 K C 1.099 177.698 176.600 -0.002 0.000 1.048 78 K CA 1.429 57.723 56.287 0.013 0.000 0.933 78 K CB -0.006 32.522 32.500 0.047 0.000 0.721 78 K HN -0.026 nan 8.250 nan 0.000 0.447 79 N N 1.503 120.189 118.700 -0.024 0.000 2.389 79 N HA -0.010 4.730 4.740 -0.001 0.000 0.237 79 N C -1.100 174.343 175.510 -0.112 0.000 1.148 79 N CA 0.206 53.228 53.050 -0.047 0.000 0.854 79 N CB 0.155 38.629 38.487 -0.022 0.000 1.115 79 N HN 0.110 nan 8.380 nan 0.000 0.492 80 D N 0.705 121.049 120.400 -0.094 0.000 2.737 80 D HA -0.264 4.375 4.640 -0.001 0.000 0.233 80 D C -0.447 175.765 176.300 -0.147 0.000 1.155 80 D CA 0.521 54.465 54.000 -0.094 0.000 0.667 80 D CB -1.300 39.462 40.800 -0.063 0.000 1.060 80 D HN 0.453 nan 8.370 nan 0.000 0.427 81 N N -1.382 117.175 118.700 -0.238 0.000 2.741 81 N HA -0.218 4.522 4.740 -0.001 0.000 0.251 81 N C -0.301 174.919 175.510 -0.484 0.000 1.112 81 N CA 1.254 54.082 53.050 -0.369 0.000 0.750 81 N CB -0.768 37.601 38.487 -0.196 0.000 1.119 81 N HN 0.567 nan 8.380 nan 0.000 0.561 82 K N 0.268 120.418 120.400 -0.416 0.000 2.156 82 K HA 0.259 4.579 4.320 -0.001 0.000 0.271 82 K C -0.103 176.251 176.600 -0.409 0.000 0.995 82 K CA -0.337 55.781 56.287 -0.282 0.000 0.890 82 K CB 0.545 32.981 32.500 -0.106 0.000 1.073 82 K HN 0.090 nan 8.250 nan 0.000 0.454 83 Y N 2.785 123.014 120.300 -0.119 0.000 2.883 83 Y HA 0.035 4.585 4.550 -0.001 0.000 0.385 83 Y C 0.654 176.599 175.900 0.075 0.000 1.067 83 Y CA -0.813 57.252 58.100 -0.058 0.000 1.682 83 Y CB -0.383 38.047 38.460 -0.051 0.000 1.606 83 Y HN 0.593 nan 8.280 nan 0.000 0.508 84 N N -1.233 117.574 118.700 0.179 0.000 2.752 84 N HA 0.071 4.811 4.740 -0.001 0.000 0.316 84 N C 1.380 176.993 175.510 0.171 0.000 1.343 84 N CA 0.246 53.388 53.050 0.153 0.000 0.875 84 N CB 0.022 38.565 38.487 0.092 0.000 1.120 84 N HN 0.156 nan 8.380 nan 0.000 0.562 85 S N -0.607 115.165 115.700 0.121 0.000 2.402 85 S HA -0.076 4.394 4.470 -0.001 0.000 0.229 85 S C 1.517 176.181 174.600 0.108 0.000 1.021 85 S CA 0.671 58.936 58.200 0.108 0.000 0.974 85 S CB -0.357 62.891 63.200 0.079 0.000 0.800 85 S HN 0.520 nan 8.310 nan 0.000 0.484 86 K N 0.243 120.709 120.400 0.109 0.000 2.026 86 K HA -0.005 4.314 4.320 -0.001 0.000 0.208 86 K C 1.883 178.562 176.600 0.131 0.000 1.048 86 K CA 1.497 57.846 56.287 0.104 0.000 0.929 86 K CB -0.420 32.131 32.500 0.086 0.000 0.713 86 K HN 0.440 nan 8.250 nan 0.000 0.439 87 F N 1.629 121.583 119.950 0.008 0.000 2.102 87 F HA -0.268 4.259 4.527 -0.000 0.000 0.298 87 F C 2.474 178.296 175.800 0.037 0.000 1.105 87 F CA 1.147 59.139 58.000 -0.013 0.000 1.239 87 F CB -0.753 38.194 39.000 -0.087 0.000 0.991 87 F HN 0.092 nan 8.300 nan 0.000 0.474 88 c N 1.359 119.932 118.600 -0.044 0.000 2.413 88 c HA -0.201 4.368 4.570 -0.001 0.000 0.276 88 c C 2.763 176.840 174.090 -0.021 0.000 1.236 88 c CA 1.899 58.182 56.329 -0.078 0.000 1.735 88 c CB -1.626 40.935 42.510 0.085 0.000 2.031 88 c HN 0.572 nan 8.230 nan 0.000 0.474 89 N N 1.112 119.832 118.700 0.034 0.000 2.188 89 N HA -0.088 4.652 4.740 -0.001 0.000 0.184 89 N C 1.239 176.791 175.510 0.070 0.000 1.018 89 N CA 1.590 54.686 53.050 0.077 0.000 0.858 89 N CB -0.670 37.875 38.487 0.097 0.000 0.989 89 N HN 0.576 nan 8.380 nan 0.000 0.426 90 D N 0.578 120.986 120.400 0.014 0.000 2.144 90 D HA -0.041 4.599 4.640 -0.001 0.000 0.199 90 D C 2.099 178.410 176.300 0.018 0.000 0.984 90 D CA 0.416 54.422 54.000 0.011 0.000 0.834 90 D CB -0.171 40.628 40.800 -0.003 0.000 0.955 90 D HN 0.213 nan 8.370 nan 0.000 0.465 91 L N 0.375 121.552 121.223 -0.077 0.000 2.027 91 L HA -0.145 4.195 4.340 -0.001 0.000 0.206 91 L C 2.309 179.401 176.870 0.369 0.000 1.074 91 L CA 1.151 56.032 54.840 0.067 0.000 0.745 91 L CB -0.219 41.768 42.059 -0.120 0.000 0.898 91 L HN -0.016 nan 8.230 nan 0.000 0.433 92 K N -0.256 120.324 120.400 0.299 0.000 2.057 92 K HA -0.134 4.186 4.320 -0.001 0.000 0.207 92 K C 1.895 178.676 176.600 0.301 0.000 1.049 92 K CA 1.262 57.694 56.287 0.243 0.000 0.931 92 K CB -0.177 32.389 32.500 0.109 0.000 0.714 92 K HN 0.299 nan 8.250 nan 0.000 0.440 93 N N 0.363 119.212 118.700 0.248 0.000 2.216 93 N HA -0.055 4.684 4.740 -0.001 0.000 0.183 93 N C 1.810 177.466 175.510 0.242 0.000 1.017 93 N CA 0.936 54.140 53.050 0.257 0.000 0.861 93 N CB -0.067 38.553 38.487 0.221 0.000 0.986 93 N HN 0.008 nan 8.380 nan 0.000 0.428 94 S N 0.810 116.639 115.700 0.214 0.000 2.368 94 S HA -0.069 4.401 4.470 -0.001 0.000 0.224 94 S C 1.658 176.416 174.600 0.263 0.000 1.029 94 S CA 0.452 58.741 58.200 0.149 0.000 0.988 94 S CB -0.308 62.983 63.200 0.151 0.000 0.838 94 S HN 0.378 nan 8.310 nan 0.000 0.462 95 F N 2.453 122.608 119.950 0.341 0.000 2.065 95 F HA -0.142 4.385 4.527 -0.001 0.000 0.298 95 F C 1.768 177.739 175.800 0.284 0.000 1.112 95 F CA 1.459 59.732 58.000 0.456 0.000 1.212 95 F CB -0.489 38.781 39.000 0.450 0.000 0.975 95 F HN 0.102 nan 8.300 nan 0.000 0.476 96 L N 0.015 121.270 121.223 0.055 0.000 2.083 96 L HA -0.212 4.127 4.340 -0.001 0.000 0.209 96 L C 2.133 178.775 176.870 -0.380 0.000 1.083 96 L CA 1.432 56.135 54.840 -0.230 0.000 0.752 96 L CB -0.820 41.286 42.059 0.079 0.000 0.899 96 L HN 0.109 nan 8.230 nan 0.000 0.433 97 D N -0.961 119.419 120.400 -0.034 0.000 2.144 97 D HA -0.191 4.449 4.640 -0.001 0.000 0.199 97 D C 2.040 178.256 176.300 -0.140 0.000 0.984 97 D CA 1.208 55.229 54.000 0.034 0.000 0.834 97 D CB -0.126 40.731 40.800 0.095 0.000 0.955 97 D HN 0.240 nan 8.370 nan 0.000 0.465 98 Y N 1.122 121.352 120.300 -0.117 0.000 2.181 98 Y HA -0.092 4.458 4.550 -0.001 0.000 0.288 98 Y C 2.606 178.147 175.900 -0.599 0.000 1.146 98 Y CA 1.371 59.440 58.100 -0.052 0.000 1.164 98 Y CB -0.901 37.657 38.460 0.163 0.000 0.982 98 Y HN -0.005 nan 8.280 nan 0.000 0.515 99 G N -0.782 107.292 108.800 -1.211 0.000 2.459 99 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.217 99 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.217 99 G C 1.453 175.560 174.900 -1.321 0.000 1.183 99 G CA 1.354 45.024 45.100 -2.384 0.000 0.776 99 G HN 0.414 nan 8.290 nan 0.000 0.552 100 H N -0.335 118.367 119.070 -0.614 0.000 2.421 100 H HA -0.016 4.540 4.556 -0.001 0.000 0.298 100 H C 2.496 177.681 175.328 -0.238 0.000 1.087 100 H CA 1.232 57.054 56.048 -0.376 0.000 1.330 100 H CB -0.409 29.177 29.762 -0.293 0.000 1.388 100 H HN 0.309 nan 8.280 nan 0.000 0.526 101 L N 0.917 122.113 121.223 -0.046 0.000 2.044 101 L HA 0.013 4.353 4.340 -0.001 0.000 0.205 101 L C 2.602 179.576 176.870 0.174 0.000 1.075 101 L CA 1.706 56.620 54.840 0.124 0.000 0.747 101 L CB -0.933 41.284 42.059 0.264 0.000 0.903 101 L HN 0.158 nan 8.230 nan 0.000 0.435 102 A N -0.543 122.312 122.820 0.059 0.000 1.917 102 A HA -0.274 4.046 4.320 -0.001 0.000 0.219 102 A C 2.243 179.861 177.584 0.058 0.000 1.182 102 A CA 2.480 54.533 52.037 0.026 0.000 0.633 102 A CB -0.637 18.055 19.000 -0.513 0.000 0.819 102 A HN 0.563 nan 8.150 nan 0.000 0.448 103 M N -1.903 117.603 119.600 -0.158 0.000 2.558 103 M HA 0.156 4.635 4.480 -0.001 0.000 0.255 103 M C 1.342 177.603 176.300 -0.066 0.000 1.113 103 M CA 0.820 56.059 55.300 -0.102 0.000 1.097 103 M CB 0.180 32.673 32.600 -0.178 0.000 1.426 103 M HN 0.683 nan 8.290 nan 0.000 0.488 104 G N 1.359 110.140 108.800 -0.033 0.000 2.132 104 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.228 104 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.228 104 G C 0.193 175.078 174.900 -0.025 0.000 1.000 104 G CA 0.464 45.555 45.100 -0.015 0.000 0.693 104 G HN 0.600 nan 8.290 nan 0.000 0.515 105 N N -0.375 118.301 118.700 -0.039 0.000 2.205 105 N HA 0.189 4.928 4.740 -0.001 0.000 0.201 105 N C 0.419 175.863 175.510 -0.109 0.000 1.128 105 N CA -0.097 52.910 53.050 -0.072 0.000 0.867 105 N CB 0.501 38.941 38.487 -0.079 0.000 0.996 105 N HN 0.460 nan 8.380 nan 0.000 0.503 106 D N 0.487 120.855 120.400 -0.054 0.000 2.455 106 D HA 0.005 4.644 4.640 -0.001 0.000 0.241 106 D C 0.903 177.178 176.300 -0.042 0.000 1.138 106 D CA 0.508 54.469 54.000 -0.064 0.000 0.877 106 D CB 0.765 41.588 40.800 0.038 0.000 1.187 106 D HN 0.030 nan 8.370 nan 0.000 0.451 107 M N 1.235 120.782 119.600 -0.089 0.000 2.541 107 M HA 0.058 4.537 4.480 -0.001 0.000 0.252 107 M C 0.425 176.857 176.300 0.219 0.000 1.125 107 M CA -0.092 55.237 55.300 0.047 0.000 1.091 107 M CB 0.147 32.725 32.600 -0.037 0.000 1.420 107 M HN 0.412 nan 8.290 nan 0.000 0.486 108 D N 0.695 121.201 120.400 0.176 0.000 2.360 108 D HA 0.286 4.926 4.640 -0.001 0.000 0.242 108 D C -0.754 175.567 176.300 0.035 0.000 1.184 108 D CA 0.267 54.254 54.000 -0.023 0.000 0.930 108 D CB 0.666 41.462 40.800 -0.007 0.000 1.161 108 D HN 0.060 nan 8.370 nan 0.000 0.447 109 F N -1.529 118.463 119.950 0.071 0.000 2.711 109 F HA 0.705 5.231 4.527 -0.001 0.000 0.313 109 F C 0.091 175.911 175.800 0.033 0.000 1.141 109 F CA -0.561 57.468 58.000 0.047 0.000 0.941 109 F CB 0.744 39.763 39.000 0.033 0.000 1.349 109 F HN 0.635 nan 8.300 nan 0.000 0.464 110 G N -0.051 108.920 108.800 0.284 0.000 2.758 110 G HA2 0.471 4.430 3.960 -0.001 0.000 0.686 110 G HA3 0.471 4.430 3.960 -0.001 0.000 0.686 110 G C 0.304 175.234 174.900 0.050 0.000 1.389 110 G CA 0.095 45.292 45.100 0.161 0.000 0.845 110 G HN 2.976 nan 8.290 nan 0.000 0.572 111 G N 0.032 108.824 108.800 -0.013 0.000 2.596 111 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.295 111 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.295 111 G C 0.953 175.818 174.900 -0.058 0.000 1.240 111 G CA 1.399 46.415 45.100 -0.139 0.000 0.985 111 G HN 1.874 nan 8.290 nan 0.000 0.555 112 Y N 1.248 121.561 120.300 0.023 0.000 2.352 112 Y HA 0.044 4.593 4.550 -0.001 0.000 0.292 112 Y C 3.403 179.322 175.900 0.031 0.000 1.136 112 Y CA 1.509 59.621 58.100 0.021 0.000 1.227 112 Y CB -0.793 37.672 38.460 0.007 0.000 0.991 112 Y HN 0.352 nan 8.280 nan 0.000 0.545 113 S N -0.668 115.132 115.700 0.168 0.000 2.359 113 S HA -0.198 4.271 4.470 -0.001 0.000 0.224 113 S C 2.163 176.843 174.600 0.134 0.000 1.035 113 S CA 1.939 60.215 58.200 0.127 0.000 1.018 113 S CB -0.612 62.639 63.200 0.085 0.000 0.876 113 S HN 0.489 nan 8.310 nan 0.000 0.448 114 T N 1.885 116.516 114.554 0.129 0.000 2.708 114 T HA -0.056 4.294 4.350 -0.001 0.000 0.266 114 T C 1.845 176.616 174.700 0.118 0.000 1.037 114 T CA 1.199 63.372 62.100 0.122 0.000 1.146 114 T CB -0.183 68.752 68.868 0.111 0.000 0.865 114 T HN 0.344 nan 8.240 nan 0.000 0.435 115 K N 0.816 121.295 120.400 0.131 0.000 2.057 115 K HA 0.008 4.327 4.320 -0.001 0.000 0.207 115 K C 2.612 179.290 176.600 0.130 0.000 1.049 115 K CA 1.161 57.528 56.287 0.134 0.000 0.931 115 K CB -0.280 32.324 32.500 0.174 0.000 0.714 115 K HN 0.265 nan 8.250 nan 0.000 0.440 116 A N 1.390 124.292 122.820 0.137 0.000 1.865 116 A HA -0.251 4.068 4.320 -0.001 0.000 0.217 116 A C 2.085 179.765 177.584 0.160 0.000 1.191 116 A CA 2.012 54.126 52.037 0.130 0.000 0.623 116 A CB -0.577 18.488 19.000 0.108 0.000 0.826 116 A HN 0.332 nan 8.150 nan 0.000 0.444 117 E N 0.755 121.045 120.200 0.151 0.000 2.058 117 E HA -0.218 4.132 4.350 -0.001 0.000 0.194 117 E C 1.749 178.426 176.600 0.127 0.000 0.997 117 E CA 2.045 58.531 56.400 0.144 0.000 0.801 117 E CB -0.392 29.381 29.700 0.120 0.000 0.746 117 E HN 0.549 nan 8.360 nan 0.000 0.450 118 N N 0.358 119.126 118.700 0.113 0.000 2.120 118 N HA -0.153 4.586 4.740 -0.001 0.000 0.188 118 N C 1.550 177.128 175.510 0.114 0.000 1.024 118 N CA 1.389 54.499 53.050 0.100 0.000 0.852 118 N CB -0.329 38.210 38.487 0.087 0.000 1.003 118 N HN 0.247 nan 8.380 nan 0.000 0.424 119 K N 0.713 121.190 120.400 0.127 0.000 2.057 119 K HA -0.003 4.316 4.320 -0.001 0.000 0.207 119 K C 1.935 178.637 176.600 0.170 0.000 1.049 119 K CA 0.807 57.176 56.287 0.137 0.000 0.931 119 K CB -0.087 32.493 32.500 0.133 0.000 0.714 119 K HN 0.097 nan 8.250 nan 0.000 0.440 120 I N 1.072 121.767 120.570 0.209 0.000 2.226 120 I HA -0.310 3.860 4.170 -0.001 0.000 0.245 120 I C 2.519 178.781 176.117 0.243 0.000 1.100 120 I CA 1.334 62.791 61.300 0.262 0.000 1.374 120 I CB -0.267 37.914 38.000 0.302 0.000 1.057 120 I HN 0.291 nan 8.210 nan 0.000 0.413 121 Q N 0.577 120.472 119.800 0.158 0.000 2.061 121 Q HA -0.269 4.071 4.340 -0.001 0.000 0.204 121 Q C 2.159 178.250 176.000 0.151 0.000 0.984 121 Q CA 1.876 57.758 55.803 0.131 0.000 0.846 121 Q CB -0.146 28.643 28.738 0.086 0.000 0.902 121 Q HN 0.536 nan 8.270 nan 0.000 0.421 122 E N -0.281 119.993 120.200 0.124 0.000 2.077 122 E HA -0.163 4.186 4.350 -0.001 0.000 0.193 122 E C 2.032 178.680 176.600 0.081 0.000 0.989 122 E CA 1.300 57.757 56.400 0.095 0.000 0.800 122 E CB 0.038 29.791 29.700 0.088 0.000 0.746 122 E HN 0.110 nan 8.360 nan 0.000 0.452 123 V N 0.381 120.351 119.914 0.093 0.000 2.427 123 V HA -0.211 3.908 4.120 -0.001 0.000 0.248 123 V C 1.789 177.814 176.094 -0.116 0.000 1.051 123 V CA 1.538 63.833 62.300 -0.008 0.000 1.048 123 V CB -0.428 31.380 31.823 -0.025 0.000 0.666 123 V HN 0.222 nan 8.190 nan 0.000 0.456 124 F N 0.037 119.936 119.950 -0.084 0.000 2.234 124 F HA -0.079 4.448 4.527 -0.000 0.000 0.299 124 F C 2.431 178.232 175.800 0.002 0.000 1.087 124 F CA 1.167 59.148 58.000 -0.032 0.000 1.340 124 F CB -0.151 38.854 39.000 0.009 0.000 1.031 124 F HN -0.001 nan 8.300 nan 0.000 0.500 125 K N 0.065 120.547 120.400 0.138 0.000 2.097 125 K HA -0.033 4.287 4.320 -0.001 0.000 0.205 125 K C 2.368 178.954 176.600 -0.024 0.000 1.050 125 K CA 1.142 57.469 56.287 0.066 0.000 0.938 125 K CB -1.227 31.308 32.500 0.058 0.000 0.718 125 K HN 0.339 nan 8.250 nan 0.000 0.442 126 G N 0.934 109.697 108.800 -0.063 0.000 2.432 126 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.219 126 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.219 126 G C 1.613 176.387 174.900 -0.210 0.000 1.135 126 G CA 1.040 46.070 45.100 -0.117 0.000 0.767 126 G HN 0.377 nan 8.290 nan 0.000 0.550 127 A N -0.652 121.967 122.820 -0.335 0.000 1.943 127 A HA 0.159 4.478 4.320 -0.001 0.000 0.213 127 A C 1.944 179.101 177.584 -0.711 0.000 1.181 127 A CA 1.085 52.767 52.037 -0.591 0.000 0.653 127 A CB -0.152 18.316 19.000 -0.887 0.000 0.833 127 A HN 0.422 nan 8.150 nan 0.000 0.451 128 H N -1.387 117.533 119.070 -0.251 0.000 2.893 128 H HA 0.350 4.906 4.556 -0.000 0.000 0.270 128 H C 1.183 176.442 175.328 -0.115 0.000 1.095 128 H CA 0.499 56.389 56.048 -0.264 0.000 1.186 128 H CB 0.415 29.934 29.762 -0.406 0.000 1.562 128 H HN 0.634 nan 8.280 nan 0.000 0.536 129 G N 1.685 110.485 108.800 0.000 0.000 2.728 129 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.294 129 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.294 129 G C -0.428 174.495 174.900 0.038 0.000 1.342 129 G CA -0.748 44.358 45.100 0.009 0.000 0.866 129 G HN 0.191 nan 8.290 nan 0.000 0.534 130 E N 0.797 121.012 120.200 0.025 0.000 1.892 130 E HA 0.313 4.663 4.350 -0.001 0.000 0.271 130 E C 1.115 177.729 176.600 0.023 0.000 1.146 130 E CA 0.176 56.590 56.400 0.024 0.000 1.096 130 E CB -0.210 29.498 29.700 0.014 0.000 1.155 130 E HN 0.658 nan 8.360 nan 0.000 0.458 131 I N -2.077 118.512 120.570 0.031 0.000 3.449 131 I HA 0.478 4.648 4.170 -0.001 0.000 0.294 131 I C 0.645 176.737 176.117 -0.042 0.000 1.163 131 I CA -1.185 60.120 61.300 0.009 0.000 1.010 131 I CB 1.293 39.322 38.000 0.049 0.000 1.307 131 I HN 0.002 nan 8.210 nan 0.000 0.518 132 S N 0.208 115.824 115.700 -0.140 0.000 2.579 132 S HA 0.117 4.587 4.470 -0.001 0.000 0.275 132 S C 0.630 175.092 174.600 -0.230 0.000 1.345 132 S CA -0.145 57.910 58.200 -0.242 0.000 1.031 132 S CB 1.090 63.952 63.200 -0.564 0.000 0.892 132 S HN 0.754 nan 8.310 nan 0.000 0.529 133 E N 0.720 120.845 120.200 -0.124 0.000 2.204 133 E HA -0.193 4.157 4.350 -0.001 0.000 0.195 133 E C 1.694 178.266 176.600 -0.047 0.000 0.990 133 E CA 1.811 58.180 56.400 -0.051 0.000 0.821 133 E CB -0.310 29.390 29.700 -0.001 0.000 0.750 133 E HN 1.021 nan 8.360 nan 0.000 0.477 134 H N -0.497 118.566 119.070 -0.012 0.000 2.428 134 H HA 0.125 4.680 4.556 -0.000 0.000 0.296 134 H C 1.554 176.853 175.328 -0.048 0.000 1.062 134 H CA 0.917 56.945 56.048 -0.034 0.000 1.350 134 H CB 0.007 29.746 29.762 -0.039 0.000 1.403 134 H HN -0.061 nan 8.280 nan 0.000 0.533 135 K N 0.494 120.709 120.400 -0.308 0.000 2.062 135 K HA -0.010 4.310 4.320 -0.001 0.000 0.205 135 K C 1.862 178.443 176.600 -0.033 0.000 1.051 135 K CA 0.966 57.154 56.287 -0.164 0.000 0.941 135 K CB 0.147 32.557 32.500 -0.149 0.000 0.719 135 K HN 0.222 nan 8.250 nan 0.000 0.440 136 I N 2.040 122.635 120.570 0.042 0.000 2.226 136 I HA -0.267 3.903 4.170 -0.001 0.000 0.245 136 I C 2.023 178.137 176.117 -0.005 0.000 1.100 136 I CA 1.546 62.919 61.300 0.120 0.000 1.374 136 I CB -0.791 37.247 38.000 0.063 0.000 1.057 136 I HN 0.180 nan 8.210 nan 0.000 0.413 137 K N 0.515 120.886 120.400 -0.047 0.000 2.103 137 K HA -0.175 4.144 4.320 -0.001 0.000 0.207 137 K C 1.830 178.398 176.600 -0.053 0.000 1.048 137 K CA 1.076 57.324 56.287 -0.065 0.000 0.930 137 K CB -0.226 32.254 32.500 -0.033 0.000 0.716 137 K HN 0.413 nan 8.250 nan 0.000 0.444 138 N N 0.260 118.909 118.700 -0.086 0.000 2.166 138 N HA -0.113 4.627 4.740 -0.001 0.000 0.186 138 N C 1.812 177.250 175.510 -0.121 0.000 1.019 138 N CA 1.128 54.093 53.050 -0.142 0.000 0.856 138 N CB -0.176 38.161 38.487 -0.249 0.000 0.993 138 N HN 0.077 nan 8.380 nan 0.000 0.426 139 F N 1.756 121.692 119.950 -0.023 0.000 2.186 139 F HA 0.005 4.532 4.527 -0.000 0.000 0.299 139 F C 2.509 178.465 175.800 0.259 0.000 1.090 139 F CA 0.820 58.856 58.000 0.060 0.000 1.307 139 F CB -0.268 38.632 39.000 -0.167 0.000 1.019 139 F HN -0.072 nan 8.300 nan 0.000 0.489 140 R N 0.272 120.867 120.500 0.159 0.000 2.096 140 R HA -0.171 4.169 4.340 -0.001 0.000 0.235 140 R C 2.238 178.735 176.300 0.328 0.000 1.127 140 R CA 1.316 57.456 56.100 0.068 0.000 0.968 140 R CB -0.450 29.678 30.300 -0.287 0.000 0.861 140 R HN 0.273 nan 8.270 nan 0.000 0.440 141 K N 1.503 122.015 120.400 0.186 0.000 2.009 141 K HA -0.186 4.134 4.320 -0.001 0.000 0.210 141 K C 1.902 178.642 176.600 0.234 0.000 1.049 141 K CA 1.653 58.051 56.287 0.184 0.000 0.929 141 K CB 0.061 32.612 32.500 0.085 0.000 0.714 141 K HN 0.018 nan 8.250 nan 0.000 0.440 142 K N -0.564 119.979 120.400 0.239 0.000 2.063 142 K HA -0.209 4.110 4.320 -0.001 0.000 0.208 142 K C 1.900 178.694 176.600 0.324 0.000 1.048 142 K CA 1.764 58.193 56.287 0.237 0.000 0.928 142 K CB -0.335 32.320 32.500 0.259 0.000 0.713 142 K HN 0.354 nan 8.250 nan 0.000 0.442 143 W N 1.282 122.757 121.300 0.291 0.000 2.355 143 W HA -0.207 4.453 4.660 -0.001 0.000 0.309 143 W C 1.957 178.658 176.519 0.304 0.000 1.206 143 W CA 1.066 58.634 57.345 0.372 0.000 1.284 143 W CB -0.450 29.372 29.460 0.603 0.000 1.145 143 W HN 0.269 nan 8.180 nan 0.000 0.502 144 W N 1.717 122.956 121.300 -0.102 0.000 2.355 144 W HA -0.257 4.402 4.660 -0.001 0.000 0.309 144 W C 1.537 177.685 176.519 -0.618 0.000 1.206 144 W CA 1.763 58.677 57.345 -0.717 0.000 1.284 144 W CB -0.906 28.265 29.460 -0.482 0.000 1.145 144 W HN -0.145 nan 8.180 nan 0.000 0.502 145 N N 1.015 119.431 118.700 -0.475 0.000 2.289 145 N HA -0.211 4.529 4.740 -0.001 0.000 0.184 145 N C 1.678 176.952 175.510 -0.392 0.000 1.016 145 N CA 1.645 54.400 53.050 -0.492 0.000 0.872 145 N CB -0.723 37.664 38.487 -0.167 0.000 0.973 145 N HN 0.409 nan 8.380 nan 0.000 0.433 146 E N 0.478 120.531 120.200 -0.245 0.000 2.208 146 E HA -0.122 4.227 4.350 -0.001 0.000 0.193 146 E C 0.895 177.424 176.600 -0.118 0.000 0.988 146 E CA 0.688 57.025 56.400 -0.105 0.000 0.828 146 E CB 0.055 29.789 29.700 0.057 0.000 0.763 146 E HN 0.495 nan 8.360 nan 0.000 0.478 147 F N -0.257 119.449 119.950 -0.405 0.000 2.706 147 F HA 0.360 4.887 4.527 -0.000 0.000 0.313 147 F C 1.802 177.333 175.800 -0.448 0.000 1.096 147 F CA -0.426 57.352 58.000 -0.369 0.000 1.219 147 F CB -0.194 38.601 39.000 -0.342 0.000 1.051 147 F HN -0.170 nan 8.300 nan 0.000 0.568 148 R N 1.148 121.014 120.500 -1.056 0.000 2.081 148 R HA -0.126 4.213 4.340 -0.001 0.000 0.235 148 R C 1.257 177.450 176.300 -0.178 0.000 1.131 148 R CA 2.050 57.511 56.100 -1.065 0.000 0.960 148 R CB -0.958 28.398 30.300 -1.573 0.000 0.856 148 R HN 0.411 nan 8.270 nan 0.000 0.436 149 E N 1.149 121.258 120.200 -0.151 0.000 2.058 149 E HA -0.197 4.152 4.350 -0.001 0.000 0.194 149 E C 2.047 178.703 176.600 0.092 0.000 0.997 149 E CA 1.557 57.964 56.400 0.011 0.000 0.801 149 E CB -0.045 29.642 29.700 -0.023 0.000 0.746 149 E HN 0.378 nan 8.360 nan 0.000 0.450 150 K N 0.875 121.312 120.400 0.061 0.000 2.063 150 K HA -0.189 4.131 4.320 -0.001 0.000 0.208 150 K C 2.238 178.928 176.600 0.150 0.000 1.048 150 K CA 1.052 57.395 56.287 0.093 0.000 0.928 150 K CB -0.141 32.414 32.500 0.092 0.000 0.713 150 K HN 0.105 nan 8.250 nan 0.000 0.442 151 L N 0.347 121.710 121.223 0.234 0.000 2.027 151 L HA -0.161 4.179 4.340 -0.001 0.000 0.206 151 L C 2.300 179.397 176.870 0.379 0.000 1.074 151 L CA 1.337 56.371 54.840 0.324 0.000 0.745 151 L CB -0.422 41.899 42.059 0.436 0.000 0.898 151 L HN 0.464 nan 8.230 nan 0.000 0.433 152 W N 1.125 122.543 121.300 0.196 0.000 2.318 152 W HA -0.281 4.378 4.660 -0.000 0.000 0.313 152 W C 2.081 178.593 176.519 -0.011 0.000 1.221 152 W CA 2.101 59.422 57.345 -0.040 0.000 1.266 152 W CB -0.092 29.117 29.460 -0.419 0.000 1.150 152 W HN 0.287 nan 8.180 nan 0.000 0.496 153 E N 0.197 120.380 120.200 -0.028 0.000 2.118 153 E HA -0.212 4.137 4.350 -0.001 0.000 0.195 153 E C 2.340 178.874 176.600 -0.108 0.000 0.992 153 E CA 1.408 57.729 56.400 -0.131 0.000 0.804 153 E CB -0.467 29.221 29.700 -0.020 0.000 0.741 153 E HN 0.290 nan 8.360 nan 0.000 0.458 154 A N 0.770 123.582 122.820 -0.012 0.000 1.969 154 A HA -0.142 4.178 4.320 -0.001 0.000 0.218 154 A C 2.090 179.673 177.584 -0.001 0.000 1.169 154 A CA 1.131 53.173 52.037 0.007 0.000 0.635 154 A CB -0.343 18.692 19.000 0.058 0.000 0.810 154 A HN 0.141 nan 8.150 nan 0.000 0.445 155 M N -0.742 118.853 119.600 -0.010 0.000 2.254 155 M HA 0.020 4.499 4.480 -0.001 0.000 0.265 155 M C 1.651 177.943 176.300 -0.014 0.000 1.066 155 M CA 1.035 56.347 55.300 0.020 0.000 1.123 155 M CB -0.291 32.348 32.600 0.065 0.000 1.388 155 M HN 0.323 nan 8.290 nan 0.000 0.425 156 L N -1.289 119.810 121.223 -0.207 0.000 2.418 156 L HA -0.016 4.324 4.340 -0.001 0.000 0.218 156 L C 2.279 179.147 176.870 -0.003 0.000 1.125 156 L CA 0.308 55.074 54.840 -0.123 0.000 0.835 156 L CB -0.353 41.488 42.059 -0.363 0.000 0.953 156 L HN 0.157 nan 8.230 nan 0.000 0.454 157 S N -0.502 115.163 115.700 -0.059 0.000 2.461 157 S HA -0.142 4.328 4.470 -0.001 0.000 0.228 157 S C 1.865 176.393 174.600 -0.119 0.000 1.005 157 S CA 0.697 58.854 58.200 -0.073 0.000 0.942 157 S CB 0.022 63.186 63.200 -0.060 0.000 0.776 157 S HN 0.413 nan 8.310 nan 0.000 0.514 158 E N 0.763 120.815 120.200 -0.246 0.000 2.150 158 E HA -0.118 4.231 4.350 -0.001 0.000 0.193 158 E C -0.224 176.151 176.600 -0.374 0.000 0.985 158 E CA 0.657 56.822 56.400 -0.391 0.000 0.814 158 E CB 0.093 29.435 29.700 -0.597 0.000 0.752 158 E HN 0.563 nan 8.360 nan 0.000 0.466 159 H N 0.809 119.927 119.070 0.080 0.000 2.724 159 H HA 0.231 4.787 4.556 -0.001 0.000 0.278 159 H C -0.424 174.901 175.328 -0.006 0.000 1.159 159 H CA -0.194 55.913 56.048 0.100 0.000 1.254 159 H CB 0.645 30.577 29.762 0.284 0.000 1.412 159 H HN -0.028 nan 8.280 nan 0.000 0.488 160 K N 3.375 123.781 120.400 0.010 0.000 3.173 160 K HA 0.078 4.398 4.320 -0.001 0.000 0.255 160 K C 0.057 176.606 176.600 -0.084 0.000 1.235 160 K CA -0.212 56.055 56.287 -0.034 0.000 1.250 160 K CB -0.122 32.353 32.500 -0.041 0.000 1.382 160 K HN 0.653 nan 8.250 nan 0.000 0.421 161 N N 0.384 119.013 118.700 -0.118 0.000 3.211 161 N HA 0.046 4.786 4.740 -0.001 0.000 0.183 161 N C -1.537 173.860 175.510 -0.189 0.000 1.447 161 N CA -0.385 52.541 53.050 -0.206 0.000 0.840 161 N CB -0.284 37.986 38.487 -0.362 0.000 1.611 161 N HN 0.087 nan 8.380 nan 0.000 0.610 162 N N 0.342 119.020 118.700 -0.036 0.000 2.457 162 N HA 0.583 5.323 4.740 -0.001 0.000 0.290 162 N C -0.194 175.345 175.510 0.049 0.000 1.232 162 N CA -0.797 52.285 53.050 0.054 0.000 0.852 162 N CB 1.620 40.167 38.487 0.100 0.000 1.313 162 N HN 0.095 nan 8.380 nan 0.000 0.522 167 K N 1.953 122.513 120.400 0.266 0.000 1.335 167 K HA 0.009 4.329 4.320 -0.001 0.000 0.085 167 K C -0.594 176.219 176.600 0.356 0.000 2.442 167 K CA 0.067 56.498 56.287 0.240 0.000 1.048 167 K CB -0.846 31.728 32.500 0.123 0.000 2.722 167 K HN 0.733 nan 8.250 nan 0.000 0.345 168 N N 2.746 121.575 118.700 0.215 0.000 2.438 168 N HA 0.160 4.900 4.740 -0.001 0.000 0.267 168 N C -0.401 175.046 175.510 -0.105 0.000 1.222 168 N CA 0.001 53.101 53.050 0.083 0.000 0.930 168 N CB 0.891 39.393 38.487 0.025 0.000 1.083 168 N HN 0.222 nan 8.380 nan 0.000 0.476 169 I N 3.770 124.157 120.570 -0.306 0.000 2.741 169 I HA 0.023 4.192 4.170 -0.001 0.000 0.288 169 I C -1.904 173.786 176.117 -0.713 0.000 1.192 169 I CA -1.424 59.254 61.300 -1.035 0.000 1.426 169 I CB 0.578 38.153 38.000 -0.709 0.000 1.367 169 I HN 0.428 nan 8.210 nan 0.000 0.563 170 P HA -0.005 nan 4.420 nan 0.000 0.264 170 P C -1.204 176.026 177.300 -0.116 0.000 1.183 170 P CA 0.115 63.012 63.100 -0.339 0.000 0.763 170 P CB 0.382 31.957 31.700 -0.208 0.000 0.807 171 Q N 1.591 121.369 119.800 -0.037 0.000 2.354 171 Q HA 0.083 4.423 4.340 -0.001 0.000 0.244 171 Q C 0.605 176.646 176.000 0.068 0.000 0.969 171 Q CA -0.468 55.344 55.803 0.015 0.000 0.885 171 Q CB 0.642 29.390 28.738 0.017 0.000 1.241 171 Q HN 0.495 nan 8.270 nan 0.000 0.461 172 E N 2.327 122.570 120.200 0.072 0.000 2.414 172 E HA -0.004 4.346 4.350 -0.001 0.000 0.263 172 E C -0.741 175.905 176.600 0.077 0.000 1.000 172 E CA 0.122 56.571 56.400 0.082 0.000 0.914 172 E CB 0.508 30.253 29.700 0.077 0.000 0.948 172 E HN 0.600 nan 8.360 nan 0.000 0.444 173 E N 2.110 122.369 120.200 0.097 0.000 2.437 173 E HA 0.297 4.647 4.350 -0.001 0.000 0.280 173 E C -1.083 175.568 176.600 0.085 0.000 1.044 173 E CA -1.085 55.363 56.400 0.082 0.000 0.826 173 E CB 0.456 30.215 29.700 0.099 0.000 1.358 173 E HN 0.294 nan 8.360 nan 0.000 0.459 174 L N 1.983 123.197 121.223 -0.015 0.000 2.483 174 L HA 0.005 4.345 4.340 -0.001 0.000 0.276 174 L C 1.903 178.625 176.870 -0.247 0.000 1.213 174 L CA 0.763 55.526 54.840 -0.129 0.000 0.843 174 L CB 0.069 42.022 42.059 -0.177 0.000 1.107 174 L HN 0.798 nan 8.230 nan 0.000 0.487 175 Q N 1.425 120.845 119.800 -0.632 0.000 2.167 175 Q HA -0.191 4.149 4.340 -0.001 0.000 0.202 175 Q C 1.877 177.458 176.000 -0.697 0.000 0.970 175 Q CA 1.236 56.427 55.803 -1.021 0.000 0.855 175 Q CB 0.037 27.827 28.738 -1.580 0.000 0.911 175 Q HN 0.678 nan 8.270 nan 0.000 0.438 176 I N 0.239 120.548 120.570 -0.434 0.000 2.315 176 I HA -0.202 3.968 4.170 -0.001 0.000 0.248 176 I C 1.773 177.902 176.117 0.019 0.000 1.117 176 I CA 1.567 62.762 61.300 -0.174 0.000 1.404 176 I CB -0.345 37.575 38.000 -0.134 0.000 1.071 176 I HN 0.136 nan 8.210 nan 0.000 0.419 177 T N 0.300 114.855 114.554 0.002 0.000 2.777 177 T HA -0.226 4.124 4.350 -0.001 0.000 0.266 177 T C 1.771 176.571 174.700 0.167 0.000 1.040 177 T CA 1.607 63.742 62.100 0.059 0.000 1.141 177 T CB -0.305 68.551 68.868 -0.020 0.000 0.868 177 T HN 0.520 nan 8.240 nan 0.000 0.444 178 Q N -0.558 119.329 119.800 0.146 0.000 2.030 178 Q HA -0.181 4.159 4.340 -0.001 0.000 0.204 178 Q C 1.986 178.276 176.000 0.483 0.000 0.986 178 Q CA 1.700 57.669 55.803 0.277 0.000 0.843 178 Q CB -0.167 28.709 28.738 0.231 0.000 0.904 178 Q HN 0.547 nan 8.270 nan 0.000 0.420 179 W N 0.601 122.038 121.300 0.227 0.000 2.436 179 W HA -0.032 4.627 4.660 -0.001 0.000 0.284 179 W C 2.128 178.881 176.519 0.389 0.000 1.225 179 W CA -0.087 57.483 57.345 0.375 0.000 1.271 179 W CB -0.558 29.116 29.460 0.357 0.000 1.114 179 W HN 0.214 nan 8.180 nan 0.000 0.559 180 I N 0.824 121.662 120.570 0.447 0.000 2.118 180 I HA -0.342 3.827 4.170 -0.001 0.000 0.241 180 I C 2.107 178.503 176.117 0.465 0.000 1.070 180 I CA 1.704 63.205 61.300 0.334 0.000 1.327 180 I CB -1.022 37.071 38.000 0.155 0.000 1.034 180 I HN 0.038 nan 8.210 nan 0.000 0.405 181 K N 0.189 120.854 120.400 0.441 0.000 2.057 181 K HA -0.233 4.087 4.320 -0.001 0.000 0.207 181 K C 2.010 178.872 176.600 0.437 0.000 1.049 181 K CA 1.446 57.986 56.287 0.422 0.000 0.931 181 K CB -0.216 32.501 32.500 0.361 0.000 0.714 181 K HN 0.331 nan 8.250 nan 0.000 0.440 182 E N 0.100 120.590 120.200 0.483 0.000 2.058 182 E HA -0.239 4.111 4.350 -0.001 0.000 0.194 182 E C 1.831 178.762 176.600 0.553 0.000 0.997 182 E CA 1.360 58.055 56.400 0.492 0.000 0.801 182 E CB -0.137 29.889 29.700 0.544 0.000 0.746 182 E HN 0.412 nan 8.360 nan 0.000 0.450 183 W N 1.000 122.519 121.300 0.364 0.000 2.358 183 W HA -0.203 4.457 4.660 -0.000 0.000 0.303 183 W C 2.286 178.892 176.519 0.145 0.000 1.208 183 W CA 2.107 59.456 57.345 0.007 0.000 1.274 183 W CB -0.495 28.587 29.460 -0.631 0.000 1.138 183 W HN 0.232 nan 8.180 nan 0.000 0.515 184 H N -0.660 118.609 119.070 0.332 0.000 2.321 184 H HA -0.125 4.431 4.556 -0.000 0.000 0.300 184 H C 2.186 177.536 175.328 0.037 0.000 1.087 184 H CA 1.925 58.076 56.048 0.172 0.000 1.319 184 H CB -0.656 29.278 29.762 0.286 0.000 1.379 184 H HN 0.305 nan 8.280 nan 0.000 0.501 185 G N 0.398 109.228 108.800 0.050 0.000 2.440 185 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.218 185 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.218 185 G C 1.581 176.434 174.900 -0.078 0.000 1.154 185 G CA 0.851 45.931 45.100 -0.033 0.000 0.767 185 G HN 0.514 nan 8.290 nan 0.000 0.552 186 E N -0.587 119.592 120.200 -0.035 0.000 2.152 186 E HA -0.037 4.312 4.350 -0.001 0.000 0.192 186 E C 2.045 178.564 176.600 -0.136 0.000 0.983 186 E CA 0.459 56.836 56.400 -0.038 0.000 0.818 186 E CB -0.169 29.584 29.700 0.088 0.000 0.758 186 E HN 0.473 nan 8.360 nan 0.000 0.467 187 F N 1.613 121.256 119.950 -0.513 0.000 2.113 187 F HA -0.139 4.388 4.527 -0.000 0.000 0.297 187 F C 1.851 177.488 175.800 -0.272 0.000 1.103 187 F CA 1.215 58.883 58.000 -0.553 0.000 1.248 187 F CB -0.199 38.073 39.000 -1.213 0.000 0.999 187 F HN -0.106 nan 8.300 nan 0.000 0.475 188 L N -0.120 120.844 121.223 -0.430 0.000 2.042 188 L HA -0.257 4.083 4.340 -0.001 0.000 0.210 188 L C 2.487 179.164 176.870 -0.322 0.000 1.076 188 L CA 1.370 55.956 54.840 -0.422 0.000 0.749 188 L CB -0.834 41.025 42.059 -0.334 0.000 0.893 188 L HN 0.244 nan 8.230 nan 0.000 0.432 189 L N -0.738 120.344 121.223 -0.235 0.000 2.109 189 L HA -0.170 4.170 4.340 -0.001 0.000 0.207 189 L C 2.545 179.295 176.870 -0.199 0.000 1.086 189 L CA 0.882 55.617 54.840 -0.174 0.000 0.760 189 L CB -0.362 41.632 42.059 -0.109 0.000 0.910 189 L HN 0.208 nan 8.230 nan 0.000 0.437 190 E N 0.458 120.534 120.200 -0.207 0.000 2.106 190 E HA -0.205 4.145 4.350 -0.001 0.000 0.192 190 E C 2.298 178.664 176.600 -0.391 0.000 0.984 190 E CA 0.934 57.192 56.400 -0.236 0.000 0.806 190 E CB 0.030 29.699 29.700 -0.053 0.000 0.750 190 E HN 0.133 nan 8.360 nan 0.000 0.458 191 R N 0.162 120.426 120.500 -0.394 0.000 2.091 191 R HA -0.167 4.173 4.340 -0.001 0.000 0.238 191 R C 1.175 177.305 176.300 -0.284 0.000 1.136 191 R CA 1.875 57.761 56.100 -0.357 0.000 0.959 191 R CB -0.171 29.809 30.300 -0.534 0.000 0.856 191 R HN 0.239 nan 8.270 nan 0.000 0.437 192 D N -0.378 119.866 120.400 -0.259 0.000 2.264 192 D HA -0.097 4.543 4.640 -0.001 0.000 0.208 192 D C 0.959 177.129 176.300 -0.216 0.000 0.966 192 D CA 0.913 54.796 54.000 -0.195 0.000 0.864 192 D CB -0.104 40.599 40.800 -0.162 0.000 0.933 192 D HN 0.247 nan 8.370 nan 0.000 0.499 193 N N -0.308 118.224 118.700 -0.280 0.000 2.294 193 N HA 0.062 4.802 4.740 -0.001 0.000 0.186 193 N C 1.518 176.796 175.510 -0.386 0.000 1.107 193 N CA -0.095 52.783 53.050 -0.287 0.000 0.884 193 N CB 0.478 38.817 38.487 -0.248 0.000 1.030 193 N HN 0.002 nan 8.380 nan 0.000 0.482 194 R N 1.236 121.419 120.500 -0.528 0.000 2.115 194 R HA 0.125 4.465 4.340 -0.001 0.000 0.230 194 R C 1.583 177.385 176.300 -0.831 0.000 1.111 194 R CA 0.606 56.288 56.100 -0.697 0.000 0.976 194 R CB -0.381 29.278 30.300 -1.068 0.000 0.870 194 R HN 0.141 nan 8.270 nan 0.000 0.445 195 A N 1.327 123.703 122.820 -0.740 0.000 2.209 195 A HA -0.095 4.225 4.320 -0.001 0.000 0.212 195 A C 2.084 179.356 177.584 -0.521 0.000 1.158 195 A CA 0.736 52.311 52.037 -0.771 0.000 0.742 195 A CB -0.280 18.509 19.000 -0.350 0.000 0.790 195 A HN 0.084 nan 8.150 nan 0.000 0.472 196 K N 0.019 120.173 120.400 -0.410 0.000 2.002 196 K HA -0.160 4.160 4.320 -0.001 0.000 0.209 196 K C 1.849 178.289 176.600 -0.268 0.000 1.048 196 K CA 1.809 57.917 56.287 -0.298 0.000 0.930 196 K CB -0.491 31.865 32.500 -0.240 0.000 0.714 196 K HN 0.389 nan 8.250 nan 0.000 0.438 197 L N 1.547 122.621 121.223 -0.248 0.000 2.027 197 L HA -0.042 4.298 4.340 -0.001 0.000 0.206 197 L C -1.183 175.589 176.870 -0.164 0.000 1.074 197 L CA 1.457 56.192 54.840 -0.175 0.000 0.745 197 L CB -1.246 40.733 42.059 -0.132 0.000 0.898 197 L HN 0.103 nan 8.230 nan 0.000 0.433 198 P HA -0.231 nan 4.420 nan 0.000 0.216 198 P C 1.392 178.562 177.300 -0.218 0.000 1.157 198 P CA 1.843 64.858 63.100 -0.142 0.000 0.880 198 P CB -0.091 31.538 31.700 -0.117 0.000 0.791 199 K N -0.282 119.891 120.400 -0.379 0.000 2.152 199 K HA -0.108 4.212 4.320 -0.001 0.000 0.206 199 K C 2.266 178.704 176.600 -0.270 0.000 1.048 199 K CA 1.910 57.894 56.287 -0.506 0.000 0.933 199 K CB -0.470 31.679 32.500 -0.585 0.000 0.721 199 K HN 0.272 nan 8.250 nan 0.000 0.447 200 S N 1.315 116.899 115.700 -0.192 0.000 2.368 200 S HA -0.103 4.367 4.470 -0.001 0.000 0.224 200 S C 1.684 176.236 174.600 -0.080 0.000 1.029 200 S CA 0.898 59.026 58.200 -0.121 0.000 0.988 200 S CB -0.110 63.028 63.200 -0.102 0.000 0.838 200 S HN 0.239 nan 8.310 nan 0.000 0.462 201 K N -0.017 120.341 120.400 -0.071 0.000 2.356 201 K HA 0.241 4.560 4.320 -0.001 0.000 0.195 201 K C 1.211 177.805 176.600 -0.010 0.000 1.037 201 K CA 0.535 56.803 56.287 -0.030 0.000 1.014 201 K CB -0.026 32.463 32.500 -0.017 0.000 0.815 201 K HN 0.422 nan 8.250 nan 0.000 0.507 202 c N 0.891 119.479 118.600 -0.020 0.000 2.926 202 c HA 0.222 4.791 4.570 -0.001 0.000 0.272 202 c C 0.859 174.981 174.090 0.054 0.000 1.249 202 c CA -0.549 55.798 56.329 0.029 0.000 1.691 202 c CB -0.498 42.048 42.510 0.060 0.000 1.983 202 c HN 0.488 nan 8.230 nan 0.000 0.615 203 K N 0.943 121.351 120.400 0.014 0.000 1.721 203 K HA -0.271 4.048 4.320 -0.001 0.000 0.121 203 K C 0.148 176.826 176.600 0.131 0.000 1.152 203 K CA 1.907 58.214 56.287 0.034 0.000 0.360 203 K CB -1.110 31.407 32.500 0.029 0.000 0.626 203 K HN 0.321 nan 8.250 nan 0.000 0.878 204 N N 2.002 120.774 118.700 0.119 0.000 2.230 204 N HA -0.004 4.735 4.740 -0.001 0.000 0.202 204 N C -0.070 175.481 175.510 0.068 0.000 1.119 204 N CA 0.498 53.632 53.050 0.141 0.000 0.851 204 N CB -0.067 38.456 38.487 0.061 0.000 0.990 204 N HN 0.477 nan 8.380 nan 0.000 0.497 205 N N 0.839 119.586 118.700 0.077 0.000 2.701 205 N HA -0.260 4.480 4.740 -0.001 0.000 0.250 205 N C 0.378 175.852 175.510 -0.059 0.000 1.046 205 N CA 0.646 53.705 53.050 0.015 0.000 0.733 205 N CB -0.938 37.556 38.487 0.012 0.000 0.973 205 N HN 0.394 nan 8.380 nan 0.000 0.541 206 A N -0.896 121.883 122.820 -0.067 0.000 2.252 206 A HA 0.358 4.678 4.320 -0.001 0.000 0.213 206 A C 1.142 178.601 177.584 -0.208 0.000 1.188 206 A CA 0.210 52.173 52.037 -0.123 0.000 0.863 206 A CB 0.391 19.346 19.000 -0.076 0.000 0.893 206 A HN 0.285 nan 8.150 nan 0.000 0.495 207 L N -1.014 120.118 121.223 -0.153 0.000 3.168 207 L HA 0.291 4.631 4.340 -0.001 0.000 0.277 207 L C -0.578 176.281 176.870 -0.019 0.000 1.308 207 L CA -0.563 54.192 54.840 -0.142 0.000 0.976 207 L CB -0.217 41.834 42.059 -0.012 0.000 1.383 207 L HN 0.365 nan 8.230 nan 0.000 0.572 208 Y N -1.441 118.893 120.300 0.058 0.000 4.177 208 Y HA -0.320 4.229 4.550 -0.001 0.000 0.227 208 Y C 1.577 177.507 175.900 0.050 0.000 1.154 208 Y CA 0.551 58.688 58.100 0.062 0.000 1.887 208 Y CB -2.267 36.265 38.460 0.121 0.000 1.594 208 Y HN 0.341 nan 8.280 nan 0.000 0.668 209 E N 0.294 120.570 120.200 0.127 0.000 2.077 209 E HA -0.119 4.231 4.350 -0.001 0.000 0.193 209 E C 2.246 178.898 176.600 0.086 0.000 0.989 209 E CA 1.318 57.777 56.400 0.098 0.000 0.800 209 E CB -0.266 29.473 29.700 0.066 0.000 0.746 209 E HN 0.586 nan 8.360 nan 0.000 0.452 210 A N -0.175 122.685 122.820 0.067 0.000 2.209 210 A HA -0.102 4.217 4.320 -0.001 0.000 0.212 210 A C 1.796 179.400 177.584 0.034 0.000 1.158 210 A CA 0.731 52.788 52.037 0.033 0.000 0.742 210 A CB -0.480 18.516 19.000 -0.008 0.000 0.790 210 A HN 0.379 nan 8.150 nan 0.000 0.472 211 c N 0.364 119.008 118.600 0.074 0.000 2.696 211 c HA 0.180 4.749 4.570 -0.001 0.000 0.264 211 c C 1.009 175.167 174.090 0.112 0.000 1.288 211 c CA 0.054 56.432 56.329 0.081 0.000 1.717 211 c CB -1.382 41.202 42.510 0.124 0.000 1.893 211 c HN 0.746 nan 8.230 nan 0.000 0.577 212 E N 0.748 121.013 120.200 0.108 0.000 2.227 212 E HA 0.265 4.615 4.350 -0.001 0.000 0.268 212 E C 0.445 177.117 176.600 0.119 0.000 0.907 212 E CA -0.693 55.776 56.400 0.115 0.000 0.786 212 E CB 1.012 30.775 29.700 0.105 0.000 1.191 212 E HN 0.078 nan 8.360 nan 0.000 0.411 213 K N 2.008 122.500 120.400 0.153 0.000 2.127 213 K HA -0.286 4.033 4.320 -0.001 0.000 0.208 213 K C 1.696 178.381 176.600 0.141 0.000 1.047 213 K CA 2.178 58.585 56.287 0.201 0.000 0.927 213 K CB 0.043 32.645 32.500 0.169 0.000 0.716 213 K HN 0.710 nan 8.250 nan 0.000 0.450 214 E N -0.278 119.979 120.200 0.094 0.000 2.153 214 E HA -0.210 4.140 4.350 -0.001 0.000 0.194 214 E C 1.908 178.545 176.600 0.061 0.000 0.988 214 E CA 1.280 57.721 56.400 0.067 0.000 0.811 214 E CB -0.005 29.724 29.700 0.049 0.000 0.746 214 E HN 0.487 nan 8.360 nan 0.000 0.466 215 c N -0.573 118.066 118.600 0.064 0.000 2.558 215 c HA 0.229 4.799 4.570 -0.001 0.000 0.288 215 c C 2.378 176.503 174.090 0.058 0.000 1.338 215 c CA -0.286 56.074 56.329 0.052 0.000 1.760 215 c CB -0.751 41.788 42.510 0.048 0.000 2.159 215 c HN 0.443 nan 8.230 nan 0.000 0.518 216 I N 1.609 122.216 120.570 0.061 0.000 2.163 216 I HA -0.175 3.995 4.170 -0.001 0.000 0.243 216 I C 2.177 178.336 176.117 0.069 0.000 1.085 216 I CA 1.903 63.218 61.300 0.026 0.000 1.347 216 I CB -0.502 37.459 38.000 -0.065 0.000 1.044 216 I HN 0.357 nan 8.210 nan 0.000 0.408 217 D N 0.869 121.345 120.400 0.126 0.000 2.084 217 D HA -0.124 4.515 4.640 -0.001 0.000 0.194 217 D C -0.445 175.926 176.300 0.118 0.000 0.990 217 D CA 1.529 55.616 54.000 0.145 0.000 0.826 217 D CB -1.832 39.055 40.800 0.144 0.000 0.971 217 D HN 0.285 nan 8.370 nan 0.000 0.453 218 P HA -0.052 nan 4.420 nan 0.000 0.218 218 P C 1.502 178.899 177.300 0.161 0.000 1.149 218 P CA 0.851 64.005 63.100 0.089 0.000 0.817 218 P CB -0.126 31.596 31.700 0.036 0.000 0.785 219 c N -0.702 118.003 118.600 0.175 0.000 2.435 219 c HA -0.025 4.545 4.570 -0.001 0.000 0.279 219 c C 2.925 177.233 174.090 0.363 0.000 1.321 219 c CA 0.701 57.205 56.329 0.290 0.000 1.752 219 c CB -1.486 41.120 42.510 0.159 0.000 1.959 219 c HN 0.206 nan 8.230 nan 0.000 0.500 220 M N 0.698 120.431 119.600 0.221 0.000 2.117 220 M HA -0.165 4.314 4.480 -0.001 0.000 0.262 220 M C 2.113 178.529 176.300 0.193 0.000 1.065 220 M CA 1.722 57.127 55.300 0.176 0.000 1.114 220 M CB -0.971 31.701 32.600 0.120 0.000 1.361 220 M HN 0.441 nan 8.290 nan 0.000 0.408 221 K N -0.532 119.992 120.400 0.207 0.000 2.057 221 K HA -0.182 4.138 4.320 -0.001 0.000 0.206 221 K C 2.075 178.869 176.600 0.323 0.000 1.050 221 K CA 1.303 57.718 56.287 0.214 0.000 0.935 221 K CB -0.391 32.205 32.500 0.160 0.000 0.715 221 K HN 0.166 nan 8.250 nan 0.000 0.439 222 Y N 2.301 122.722 120.300 0.201 0.000 2.145 222 Y HA -0.189 4.361 4.550 -0.000 0.000 0.286 222 Y C 2.339 178.421 175.900 0.304 0.000 1.145 222 Y CA 1.287 59.551 58.100 0.273 0.000 1.148 222 Y CB -0.400 38.229 38.460 0.283 0.000 0.981 222 Y HN -0.062 nan 8.280 nan 0.000 0.507 223 R N 0.199 120.793 120.500 0.157 0.000 2.096 223 R HA -0.192 4.148 4.340 -0.001 0.000 0.240 223 R C 1.768 178.035 176.300 -0.055 0.000 1.139 223 R CA 2.120 58.086 56.100 -0.223 0.000 0.952 223 R CB -0.404 29.748 30.300 -0.247 0.000 0.854 223 R HN 0.345 nan 8.270 nan 0.000 0.436 224 D N -0.660 119.791 120.400 0.084 0.000 2.144 224 D HA -0.207 4.432 4.640 -0.001 0.000 0.199 224 D C 1.422 177.816 176.300 0.155 0.000 0.984 224 D CA 1.126 55.184 54.000 0.097 0.000 0.834 224 D CB -0.460 40.417 40.800 0.128 0.000 0.955 224 D HN 0.415 nan 8.370 nan 0.000 0.465 225 W N 1.497 122.851 121.300 0.090 0.000 2.381 225 W HA -0.059 4.601 4.660 -0.000 0.000 0.301 225 W C 2.029 178.627 176.519 0.132 0.000 1.205 225 W CA 0.940 58.369 57.345 0.140 0.000 1.285 225 W CB -0.357 29.224 29.460 0.202 0.000 1.133 225 W HN -0.138 nan 8.180 nan 0.000 0.521 226 I N 0.365 120.941 120.570 0.010 0.000 2.179 226 I HA -0.336 3.834 4.170 -0.001 0.000 0.242 226 I C 2.364 178.341 176.117 -0.232 0.000 1.088 226 I CA 1.601 62.754 61.300 -0.245 0.000 1.357 226 I CB -0.635 37.260 38.000 -0.174 0.000 1.051 226 I HN -0.036 nan 8.210 nan 0.000 0.409 227 I N 0.162 120.643 120.570 -0.149 0.000 2.179 227 I HA -0.299 3.870 4.170 -0.001 0.000 0.242 227 I C 2.818 178.894 176.117 -0.067 0.000 1.088 227 I CA 1.260 62.495 61.300 -0.108 0.000 1.357 227 I CB -0.450 37.491 38.000 -0.099 0.000 1.051 227 I HN 0.180 nan 8.210 nan 0.000 0.409 228 R N 0.719 121.182 120.500 -0.062 0.000 2.096 228 R HA -0.190 4.150 4.340 -0.001 0.000 0.240 228 R C 2.467 178.758 176.300 -0.014 0.000 1.139 228 R CA 2.184 58.283 56.100 -0.001 0.000 0.952 228 R CB -0.173 30.145 30.300 0.030 0.000 0.854 228 R HN 0.263 nan 8.270 nan 0.000 0.436 229 S N 0.455 116.030 115.700 -0.208 0.000 2.382 229 S HA -0.106 4.363 4.470 -0.001 0.000 0.228 229 S C 1.704 176.267 174.600 -0.061 0.000 1.027 229 S CA 1.283 59.389 58.200 -0.158 0.000 0.991 229 S CB -0.061 62.813 63.200 -0.543 0.000 0.823 229 S HN 0.364 nan 8.310 nan 0.000 0.469 230 K N -0.026 120.326 120.400 -0.080 0.000 2.097 230 K HA -0.039 4.281 4.320 -0.001 0.000 0.205 230 K C 1.808 178.433 176.600 0.042 0.000 1.050 230 K CA 1.180 57.461 56.287 -0.010 0.000 0.938 230 K CB -0.217 32.270 32.500 -0.022 0.000 0.718 230 K HN 0.320 nan 8.250 nan 0.000 0.442 231 F N 2.319 122.206 119.950 -0.105 0.000 2.187 231 F HA -0.084 4.443 4.527 -0.001 0.000 0.295 231 F C 1.826 177.542 175.800 -0.140 0.000 1.091 231 F CA 1.286 59.223 58.000 -0.105 0.000 1.308 231 F CB 0.054 38.972 39.000 -0.136 0.000 1.030 231 F HN -0.008 nan 8.300 nan 0.000 0.487 232 E N -0.245 119.862 120.200 -0.155 0.000 2.070 232 E HA -0.316 4.034 4.350 -0.001 0.000 0.197 232 E C 2.135 178.304 176.600 -0.719 0.000 1.004 232 E CA 1.781 57.942 56.400 -0.399 0.000 0.805 232 E CB -0.794 28.732 29.700 -0.291 0.000 0.744 232 E HN 0.676 nan 8.360 nan 0.000 0.451 233 W N 1.585 122.346 121.300 -0.900 0.000 2.355 233 W HA -0.209 4.450 4.660 -0.001 0.000 0.309 233 W C 2.127 178.301 176.519 -0.574 0.000 1.206 233 W CA 1.627 58.386 57.345 -0.977 0.000 1.284 233 W CB -0.372 28.612 29.460 -0.793 0.000 1.145 233 W HN 0.247 nan 8.180 nan 0.000 0.502 234 H N 0.099 118.802 119.070 -0.612 0.000 2.352 234 H HA -0.147 4.408 4.556 -0.001 0.000 0.299 234 H C 1.786 176.718 175.328 -0.660 0.000 1.097 234 H CA 2.410 58.097 56.048 -0.602 0.000 1.311 234 H CB -0.221 29.320 29.762 -0.369 0.000 1.377 234 H HN 0.014 nan 8.280 nan 0.000 0.504 235 T N 1.518 115.598 114.554 -0.790 0.000 2.701 235 T HA -0.066 4.284 4.350 -0.001 0.000 0.263 235 T C 2.477 176.830 174.700 -0.577 0.000 1.040 235 T CA 1.122 62.802 62.100 -0.700 0.000 1.147 235 T CB -0.297 68.180 68.868 -0.651 0.000 0.865 235 T HN 0.203 nan 8.240 nan 0.000 0.426 236 L N 1.620 122.472 121.223 -0.618 0.000 2.017 236 L HA -0.127 4.213 4.340 -0.001 0.000 0.208 236 L C 2.961 179.469 176.870 -0.603 0.000 1.073 236 L CA 1.547 56.077 54.840 -0.517 0.000 0.745 236 L CB -0.764 40.953 42.059 -0.571 0.000 0.894 236 L HN 0.381 nan 8.230 nan 0.000 0.432 237 S N -0.673 114.435 115.700 -0.987 0.000 2.402 237 S HA -0.198 4.271 4.470 -0.001 0.000 0.229 237 S C 1.962 176.246 174.600 -0.528 0.000 1.021 237 S CA 0.984 58.620 58.200 -0.940 0.000 0.974 237 S CB -0.213 62.082 63.200 -1.508 0.000 0.800 237 S HN 0.180 nan 8.310 nan 0.000 0.484 238 K N 1.549 121.607 120.400 -0.570 0.000 2.057 238 K HA 0.041 4.361 4.320 -0.001 0.000 0.206 238 K C 2.204 178.636 176.600 -0.280 0.000 1.050 238 K CA 1.391 57.429 56.287 -0.415 0.000 0.935 238 K CB -0.491 31.689 32.500 -0.533 0.000 0.715 238 K HN 0.365 nan 8.250 nan 0.000 0.439 239 E N -0.629 119.406 120.200 -0.275 0.000 2.058 239 E HA -0.233 4.117 4.350 -0.001 0.000 0.194 239 E C 1.848 178.351 176.600 -0.161 0.000 0.997 239 E CA 1.556 57.842 56.400 -0.191 0.000 0.801 239 E CB -0.476 29.129 29.700 -0.159 0.000 0.746 239 E HN 0.443 nan 8.360 nan 0.000 0.450 240 Y N 0.851 120.984 120.300 -0.277 0.000 2.145 240 Y HA -0.206 4.344 4.550 -0.001 0.000 0.286 240 Y C 2.054 177.825 175.900 -0.216 0.000 1.145 240 Y CA 2.179 60.127 58.100 -0.253 0.000 1.148 240 Y CB -0.165 38.129 38.460 -0.278 0.000 0.981 240 Y HN 0.062 nan 8.280 nan 0.000 0.507 241 E N -0.676 119.481 120.200 -0.072 0.000 2.160 241 E HA -0.173 4.177 4.350 -0.001 0.000 0.195 241 E C 2.223 178.716 176.600 -0.177 0.000 0.991 241 E CA 1.889 58.222 56.400 -0.112 0.000 0.810 241 E CB -0.362 29.283 29.700 -0.092 0.000 0.742 241 E HN 0.431 nan 8.360 nan 0.000 0.466 242 T N 0.006 114.449 114.554 -0.185 0.000 2.698 242 T HA -0.108 4.241 4.350 -0.001 0.000 0.260 242 T C 1.708 176.286 174.700 -0.204 0.000 1.044 242 T CA 1.169 63.166 62.100 -0.171 0.000 1.149 242 T CB -0.109 68.668 68.868 -0.152 0.000 0.864 242 T HN 0.187 nan 8.240 nan 0.000 0.419 243 Q N 0.336 119.983 119.800 -0.254 0.000 2.123 243 Q HA 0.047 4.386 4.340 -0.001 0.000 0.199 243 Q C 0.683 176.498 176.000 -0.308 0.000 0.966 243 Q CA 0.596 56.241 55.803 -0.263 0.000 0.845 243 Q CB 0.076 28.652 28.738 -0.270 0.000 0.907 243 Q HN 0.146 nan 8.270 nan 0.000 0.439 244 K N 1.733 121.866 120.400 -0.445 0.000 2.412 244 K HA 0.007 4.326 4.320 -0.001 0.000 0.284 244 K C 0.998 177.444 176.600 -0.257 0.000 1.046 244 K CA 0.089 56.114 56.287 -0.437 0.000 0.999 244 K CB 1.173 33.270 32.500 -0.673 0.000 0.941 244 K HN -0.026 nan 8.250 nan 0.000 0.474 245 V N 4.804 124.603 119.914 -0.192 0.000 2.223 245 V HA -0.139 3.980 4.120 -0.001 0.000 0.244 245 V C -1.209 174.821 176.094 -0.106 0.000 1.045 245 V CA 1.286 63.507 62.300 -0.131 0.000 1.000 245 V CB -1.129 30.631 31.823 -0.104 0.000 0.635 245 V HN 0.746 nan 8.190 nan 0.000 0.445 246 P HA 0.104 nan 4.420 nan 0.000 0.269 246 P C -0.305 176.952 177.300 -0.072 0.000 1.252 246 P CA 0.067 63.129 63.100 -0.063 0.000 0.780 246 P CB 0.116 31.793 31.700 -0.039 0.000 0.829 247 K N 3.174 123.537 120.400 -0.063 0.000 2.466 247 K HA -0.035 4.285 4.320 -0.001 0.000 0.278 247 K C -0.020 176.567 176.600 -0.022 0.000 1.048 247 K CA 0.645 56.896 56.287 -0.060 0.000 1.088 247 K CB 0.239 32.713 32.500 -0.044 0.000 0.884 247 K HN 0.522 nan 8.250 nan 0.000 0.478 248 E N 3.382 123.577 120.200 -0.009 0.000 2.356 248 E HA 0.103 4.453 4.350 -0.001 0.000 0.275 248 E C -1.499 175.194 176.600 0.154 0.000 0.904 248 E CA -0.949 55.504 56.400 0.089 0.000 0.757 248 E CB 1.179 30.973 29.700 0.156 0.000 1.232 248 E HN 0.565 nan 8.360 nan 0.000 0.442 249 N N 2.012 120.797 118.700 0.141 0.000 2.520 249 N HA 0.194 4.934 4.740 -0.001 0.000 0.273 249 N C 0.485 176.082 175.510 0.146 0.000 1.155 249 N CA 0.805 53.929 53.050 0.123 0.000 0.967 249 N CB 1.522 40.060 38.487 0.085 0.000 1.092 249 N HN 0.559 nan 8.380 nan 0.000 0.457 250 A N 3.490 126.346 122.820 0.059 0.000 1.902 250 A HA -0.136 4.183 4.320 -0.001 0.000 0.217 250 A C 1.765 179.384 177.584 0.058 0.000 1.181 250 A CA 1.399 53.345 52.037 -0.152 0.000 0.623 250 A CB -0.627 18.181 19.000 -0.321 0.000 0.818 250 A HN 0.888 nan 8.150 nan 0.000 0.443 251 E N -0.145 120.165 120.200 0.182 0.000 2.110 251 E HA -0.188 4.162 4.350 -0.001 0.000 0.193 251 E C 1.698 178.334 176.600 0.060 0.000 0.988 251 E CA 1.147 57.637 56.400 0.150 0.000 0.804 251 E CB -0.208 29.581 29.700 0.147 0.000 0.745 251 E HN 0.559 nan 8.360 nan 0.000 0.458 252 N N 0.294 119.041 118.700 0.077 0.000 2.223 252 N HA -0.184 4.556 4.740 -0.001 0.000 0.185 252 N C 1.528 177.078 175.510 0.067 0.000 1.016 252 N CA 0.851 53.941 53.050 0.066 0.000 0.863 252 N CB -0.440 38.098 38.487 0.085 0.000 0.983 252 N HN 0.279 nan 8.380 nan 0.000 0.429 253 Y N 1.215 121.496 120.300 -0.030 0.000 2.181 253 Y HA -0.074 4.475 4.550 -0.001 0.000 0.288 253 Y C 1.831 177.694 175.900 -0.062 0.000 1.146 253 Y CA 1.167 59.239 58.100 -0.047 0.000 1.164 253 Y CB -0.250 38.108 38.460 -0.170 0.000 0.982 253 Y HN -0.072 nan 8.280 nan 0.000 0.515 254 L N 0.181 121.254 121.223 -0.251 0.000 2.141 254 L HA -0.187 4.153 4.340 -0.001 0.000 0.209 254 L C 2.422 179.151 176.870 -0.235 0.000 1.094 254 L CA 1.554 56.186 54.840 -0.347 0.000 0.763 254 L CB -1.316 40.517 42.059 -0.378 0.000 0.908 254 L HN 0.385 nan 8.230 nan 0.000 0.437 255 I N -0.213 120.275 120.570 -0.137 0.000 2.202 255 I HA -0.299 3.870 4.170 -0.001 0.000 0.242 255 I C 2.370 178.439 176.117 -0.080 0.000 1.091 255 I CA 1.137 62.393 61.300 -0.073 0.000 1.368 255 I CB -0.160 37.824 38.000 -0.027 0.000 1.058 255 I HN 0.182 nan 8.210 nan 0.000 0.410 256 K N 0.635 120.976 120.400 -0.099 0.000 2.147 256 K HA -0.143 4.177 4.320 -0.001 0.000 0.205 256 K C 1.721 178.251 176.600 -0.116 0.000 1.049 256 K CA 1.525 57.765 56.287 -0.079 0.000 0.936 256 K CB -0.152 32.326 32.500 -0.037 0.000 0.722 256 K HN 0.466 nan 8.250 nan 0.000 0.446 257 I N -3.419 117.016 120.570 -0.225 0.000 4.057 257 I HA 0.128 4.298 4.170 -0.001 0.000 0.334 257 I C 0.592 176.643 176.117 -0.110 0.000 1.308 257 I CA -0.442 60.739 61.300 -0.198 0.000 1.125 257 I CB 0.828 38.609 38.000 -0.364 0.000 1.034 257 I HN -0.180 nan 8.210 nan 0.000 0.401 258 S N 0.538 116.186 115.700 -0.087 0.000 2.687 258 S HA 0.409 4.879 4.470 -0.001 0.000 0.283 258 S C 0.698 175.295 174.600 -0.005 0.000 1.170 258 S CA -0.250 57.941 58.200 -0.015 0.000 1.008 258 S CB 1.454 64.669 63.200 0.025 0.000 1.026 258 S HN 0.319 nan 8.310 nan 0.000 0.541 259 E N 1.473 121.680 120.200 0.012 0.000 2.340 259 E HA 0.187 4.537 4.350 -0.001 0.000 0.198 259 E C 1.347 177.955 176.600 0.014 0.000 0.961 259 E CA 0.380 56.787 56.400 0.011 0.000 0.905 259 E CB -0.033 29.675 29.700 0.013 0.000 0.884 259 E HN 0.641 nan 8.360 nan 0.000 0.491 260 N N 1.024 119.737 118.700 0.022 0.000 2.216 260 N HA -0.092 4.648 4.740 -0.001 0.000 0.183 260 N C 0.322 175.846 175.510 0.024 0.000 1.017 260 N CA 1.349 54.412 53.050 0.022 0.000 0.861 260 N CB 0.068 38.570 38.487 0.025 0.000 0.986 260 N HN 0.064 nan 8.380 nan 0.000 0.428 261 K N -2.154 118.263 120.400 0.028 0.000 3.518 261 K HA -0.332 3.988 4.320 -0.001 0.000 0.287 261 K C 0.601 177.217 176.600 0.027 0.000 0.935 261 K CA 1.937 58.237 56.287 0.021 0.000 1.201 261 K CB -1.544 30.963 32.500 0.010 0.000 1.453 261 K HN 0.179 nan 8.250 nan 0.000 0.443 262 N N 1.208 119.927 118.700 0.031 0.000 2.207 262 N HA -0.056 4.683 4.740 -0.001 0.000 0.182 262 N C 1.109 176.651 175.510 0.053 0.000 1.020 262 N CA 1.481 54.551 53.050 0.034 0.000 0.858 262 N CB -0.217 38.285 38.487 0.025 0.000 0.991 262 N HN 0.229 nan 8.380 nan 0.000 0.427 263 D N 0.527 120.966 120.400 0.065 0.000 2.221 263 D HA -0.077 4.563 4.640 -0.001 0.000 0.204 263 D C 1.377 177.826 176.300 0.248 0.000 0.982 263 D CA 0.730 54.793 54.000 0.106 0.000 0.857 263 D CB -0.131 40.706 40.800 0.062 0.000 0.934 263 D HN 0.280 nan 8.370 nan 0.000 0.475 264 A N 0.395 123.312 122.820 0.163 0.000 2.167 264 A HA -0.068 4.251 4.320 -0.001 0.000 0.214 264 A C 1.124 178.695 177.584 -0.022 0.000 1.151 264 A CA 0.335 52.400 52.037 0.047 0.000 0.735 264 A CB -0.078 18.901 19.000 -0.035 0.000 0.802 264 A HN 0.048 nan 8.150 nan 0.000 0.467 265 K N 0.684 121.095 120.400 0.018 0.000 2.307 265 K HA 0.308 4.628 4.320 -0.001 0.000 0.240 265 K C 0.617 177.190 176.600 -0.045 0.000 1.214 265 K CA -0.335 55.947 56.287 -0.009 0.000 1.149 265 K CB 0.576 33.085 32.500 0.016 0.000 1.668 265 K HN 0.139 nan 8.250 nan 0.000 0.314 266 V N 0.590 120.391 119.914 -0.189 0.000 2.407 266 V HA -0.303 3.816 4.120 -0.001 0.000 0.248 266 V C 2.323 178.244 176.094 -0.288 0.000 1.055 266 V CA 2.346 64.422 62.300 -0.373 0.000 1.049 266 V CB -0.422 30.693 31.823 -1.180 0.000 0.662 266 V HN 0.729 nan 8.190 nan 0.000 0.455 267 S N 0.178 115.770 115.700 -0.181 0.000 2.383 267 S HA -0.204 4.266 4.470 -0.001 0.000 0.229 267 S C 1.924 176.520 174.600 -0.008 0.000 1.030 267 S CA 1.704 59.876 58.200 -0.047 0.000 1.002 267 S CB -0.527 62.702 63.200 0.047 0.000 0.829 267 S HN 0.404 nan 8.310 nan 0.000 0.467 268 L N 1.269 122.495 121.223 0.004 0.000 2.095 268 L HA 0.292 4.631 4.340 -0.001 0.000 0.204 268 L C 2.313 179.216 176.870 0.054 0.000 1.080 268 L CA 1.272 56.130 54.840 0.030 0.000 0.759 268 L CB -0.657 41.420 42.059 0.030 0.000 0.914 268 L HN 0.316 nan 8.230 nan 0.000 0.439 269 L N -1.262 120.004 121.223 0.071 0.000 2.079 269 L HA -0.261 4.079 4.340 -0.001 0.000 0.210 269 L C 2.453 179.435 176.870 0.187 0.000 1.081 269 L CA 1.270 56.195 54.840 0.140 0.000 0.752 269 L CB -0.591 41.604 42.059 0.227 0.000 0.896 269 L HN 0.294 nan 8.230 nan 0.000 0.433 270 L N -0.573 120.734 121.223 0.140 0.000 2.093 270 L HA -0.180 4.160 4.340 -0.001 0.000 0.208 270 L C 2.103 179.025 176.870 0.088 0.000 1.085 270 L CA 1.473 56.388 54.840 0.125 0.000 0.755 270 L CB -0.527 41.536 42.059 0.007 0.000 0.904 270 L HN 0.356 nan 8.230 nan 0.000 0.435 271 N N -0.300 118.438 118.700 0.062 0.000 2.244 271 N HA -0.150 4.589 4.740 -0.001 0.000 0.183 271 N C 1.443 176.998 175.510 0.074 0.000 1.016 271 N CA 0.722 53.804 53.050 0.053 0.000 0.866 271 N CB -0.035 38.475 38.487 0.039 0.000 0.980 271 N HN 0.304 nan 8.380 nan 0.000 0.430 272 N N 0.915 119.670 118.700 0.092 0.000 2.120 272 N HA -0.082 4.658 4.740 -0.001 0.000 0.188 272 N C 1.641 177.242 175.510 0.152 0.000 1.024 272 N CA 0.774 53.888 53.050 0.106 0.000 0.852 272 N CB -0.653 37.894 38.487 0.100 0.000 1.003 272 N HN 0.301 nan 8.380 nan 0.000 0.424 273 C N 0.999 120.413 119.300 0.190 0.000 2.413 273 C HA -0.085 4.374 4.460 -0.001 0.000 0.276 273 C C 2.235 177.330 174.990 0.174 0.000 1.248 273 C CA 0.264 59.437 59.018 0.258 0.000 1.742 273 C CB -0.833 27.101 27.740 0.323 0.000 2.017 273 C HN 0.431 nan 8.230 nan 0.000 0.481 274 D N 0.892 121.355 120.400 0.105 0.000 2.104 274 D HA -0.102 4.537 4.640 -0.001 0.000 0.194 274 D C 2.331 178.712 176.300 0.135 0.000 0.994 274 D CA 1.875 55.921 54.000 0.077 0.000 0.830 274 D CB -0.504 40.318 40.800 0.035 0.000 0.959 274 D HN 0.507 nan 8.370 nan 0.000 0.452 275 A N 0.677 123.563 122.820 0.110 0.000 1.877 275 A HA -0.196 4.124 4.320 -0.001 0.000 0.216 275 A C 2.160 179.804 177.584 0.100 0.000 1.186 275 A CA 1.832 53.920 52.037 0.084 0.000 0.620 275 A CB -0.553 18.483 19.000 0.059 0.000 0.822 275 A HN 0.134 nan 8.150 nan 0.000 0.443 276 E N -1.262 119.042 120.200 0.174 0.000 2.110 276 E HA -0.209 4.141 4.350 -0.001 0.000 0.193 276 E C 1.724 178.535 176.600 0.351 0.000 0.988 276 E CA 1.580 58.139 56.400 0.265 0.000 0.804 276 E CB -0.459 29.467 29.700 0.377 0.000 0.745 276 E HN 0.697 nan 8.360 nan 0.000 0.458 277 Y N 0.367 120.787 120.300 0.201 0.000 2.114 277 Y HA -0.243 4.306 4.550 -0.001 0.000 0.284 277 Y C 2.442 178.400 175.900 0.098 0.000 1.143 277 Y CA 2.160 60.331 58.100 0.119 0.000 1.135 277 Y CB -0.623 37.718 38.460 -0.197 0.000 0.980 277 Y HN -0.006 nan 8.280 nan 0.000 0.499 278 S N 0.419 116.176 115.700 0.096 0.000 2.365 278 S HA -0.288 4.182 4.470 -0.001 0.000 0.225 278 S C 2.006 176.521 174.600 -0.142 0.000 1.039 278 S CA 1.713 59.903 58.200 -0.017 0.000 1.033 278 S CB -0.478 62.754 63.200 0.052 0.000 0.887 278 S HN 0.456 nan 8.310 nan 0.000 0.447 279 K N -0.268 120.031 120.400 -0.168 0.000 2.034 279 K HA -0.197 4.123 4.320 -0.001 0.000 0.214 279 K C 1.659 177.998 176.600 -0.435 0.000 1.051 279 K CA 1.916 57.986 56.287 -0.362 0.000 0.931 279 K CB -0.227 31.929 32.500 -0.573 0.000 0.715 279 K HN 0.418 nan 8.250 nan 0.000 0.446 280 Y N -1.453 118.796 120.300 -0.085 0.000 2.503 280 Y HA 0.059 4.609 4.550 -0.001 0.000 0.278 280 Y C 1.972 177.778 175.900 -0.157 0.000 1.111 280 Y CA 0.055 58.102 58.100 -0.090 0.000 1.270 280 Y CB 0.382 38.817 38.460 -0.042 0.000 1.063 280 Y HN 0.141 nan 8.280 nan 0.000 0.548 281 c N -1.049 117.424 118.600 -0.212 0.000 3.403 281 c HA 0.254 4.824 4.570 -0.001 0.000 0.317 281 c C -0.069 173.851 174.090 -0.283 0.000 1.346 281 c CA -0.450 55.661 56.329 -0.362 0.000 1.743 281 c CB -0.257 41.680 42.510 -0.955 0.000 2.308 281 c HN 0.162 nan 8.230 nan 0.000 0.675 282 D N 1.157 121.431 120.400 -0.209 0.000 2.316 282 D HA 0.144 4.783 4.640 -0.001 0.000 0.245 282 D C 0.040 176.309 176.300 -0.052 0.000 1.171 282 D CA 0.115 54.067 54.000 -0.080 0.000 0.856 282 D CB 0.695 41.470 40.800 -0.042 0.000 1.090 282 D HN 0.277 nan 8.370 nan 0.000 0.476 283 c N 4.278 122.853 118.600 -0.041 0.000 2.590 283 c HA 0.002 4.572 4.570 -0.001 0.000 0.411 283 c C 1.979 176.026 174.090 -0.071 0.000 1.420 283 c CA -0.174 56.108 56.329 -0.078 0.000 1.643 283 c CB -0.537 41.894 42.510 -0.132 0.000 2.528 283 c HN 0.735 nan 8.230 nan 0.000 0.606 284 K N 3.093 123.485 120.400 -0.013 0.000 2.062 284 K HA -0.142 4.177 4.320 -0.001 0.000 0.205 284 K C 1.728 178.422 176.600 0.156 0.000 1.051 284 K CA 2.184 58.519 56.287 0.081 0.000 0.941 284 K CB -0.182 32.401 32.500 0.138 0.000 0.719 284 K HN 1.023 nan 8.250 nan 0.000 0.440 285 H N -1.598 117.661 119.070 0.316 0.000 2.547 285 H HA 0.171 4.727 4.556 -0.001 0.000 0.272 285 H C 0.872 176.366 175.328 0.278 0.000 0.989 285 H CA 1.158 57.398 56.048 0.320 0.000 1.214 285 H CB 0.147 30.090 29.762 0.302 0.000 1.389 285 H HN 0.043 nan 8.280 nan 0.000 0.577 286 T N -1.331 113.375 114.554 0.253 0.000 3.400 286 T HA 0.025 4.374 4.350 -0.001 0.000 0.228 286 T C 1.839 176.595 174.700 0.094 0.000 0.992 286 T CA 0.785 63.042 62.100 0.262 0.000 1.222 286 T CB -0.326 68.811 68.868 0.448 0.000 1.236 286 T HN 0.307 nan 8.240 nan 0.000 0.357 287 T N 2.608 117.203 114.554 0.068 0.000 2.684 287 T HA -0.130 4.219 4.350 -0.001 0.000 0.267 287 T C 2.119 176.821 174.700 0.004 0.000 1.036 287 T CA 2.030 64.153 62.100 0.039 0.000 1.148 287 T CB -0.778 68.117 68.868 0.044 0.000 0.863 287 T HN 0.345 nan 8.240 nan 0.000 0.436 288 T N 2.134 116.689 114.554 0.003 0.000 2.821 288 T HA -0.001 4.349 4.350 -0.001 0.000 0.267 288 T C 1.914 176.590 174.700 -0.038 0.000 1.046 288 T CA 0.782 62.875 62.100 -0.011 0.000 1.139 288 T CB -0.450 68.420 68.868 0.004 0.000 0.871 288 T HN 0.129 nan 8.240 nan 0.000 0.454 289 L N 1.299 122.497 121.223 -0.042 0.000 2.017 289 L HA -0.049 4.290 4.340 -0.001 0.000 0.208 289 L C 2.422 179.183 176.870 -0.182 0.000 1.073 289 L CA 1.550 56.317 54.840 -0.121 0.000 0.745 289 L CB -0.705 41.238 42.059 -0.193 0.000 0.894 289 L HN 0.058 nan 8.230 nan 0.000 0.432 290 V N -0.217 119.608 119.914 -0.147 0.000 2.295 290 V HA -0.315 3.805 4.120 -0.001 0.000 0.246 290 V C 2.595 178.579 176.094 -0.182 0.000 1.049 290 V CA 2.184 64.387 62.300 -0.162 0.000 1.024 290 V CB -0.663 31.110 31.823 -0.083 0.000 0.648 290 V HN 0.464 nan 8.190 nan 0.000 0.447 291 K N 0.827 121.150 120.400 -0.127 0.000 2.063 291 K HA -0.174 4.146 4.320 -0.001 0.000 0.208 291 K C 2.367 178.858 176.600 -0.181 0.000 1.048 291 K CA 1.783 57.996 56.287 -0.124 0.000 0.928 291 K CB -0.429 32.031 32.500 -0.066 0.000 0.713 291 K HN 0.637 nan 8.250 nan 0.000 0.442 292 S N 0.415 116.005 115.700 -0.183 0.000 2.419 292 S HA -0.103 4.367 4.470 -0.001 0.000 0.235 292 S C 2.011 176.337 174.600 -0.456 0.000 1.019 292 S CA 1.177 59.252 58.200 -0.210 0.000 0.982 292 S CB -0.340 62.783 63.200 -0.129 0.000 0.789 292 S HN 0.033 nan 8.310 nan 0.000 0.490 293 V N 1.174 120.719 119.914 -0.616 0.000 2.575 293 V HA 0.159 4.279 4.120 -0.001 0.000 0.242 293 V C 2.462 178.003 176.094 -0.920 0.000 1.045 293 V CA 0.992 62.585 62.300 -1.179 0.000 1.065 293 V CB -0.571 30.725 31.823 -0.877 0.000 0.717 293 V HN 0.415 nan 8.190 nan 0.000 0.467 294 L N 0.552 121.479 121.223 -0.494 0.000 2.109 294 L HA -0.039 4.301 4.340 -0.001 0.000 0.207 294 L C 1.564 178.301 176.870 -0.222 0.000 1.086 294 L CA 1.170 55.821 54.840 -0.315 0.000 0.760 294 L CB -0.371 41.568 42.059 -0.199 0.000 0.910 294 L HN 0.415 nan 8.230 nan 0.000 0.437 295 N N 0.225 118.807 118.700 -0.197 0.000 2.276 295 N HA 0.087 4.827 4.740 -0.001 0.000 0.212 295 N C 0.576 176.030 175.510 -0.093 0.000 1.127 295 N CA 0.135 53.118 53.050 -0.112 0.000 0.834 295 N CB 0.234 38.674 38.487 -0.079 0.000 1.014 295 N HN 0.117 nan 8.380 nan 0.000 0.491 296 G N 0.350 109.046 108.800 -0.173 0.000 2.539 296 G HA2 0.089 4.048 3.960 -0.001 0.000 0.258 296 G HA3 0.089 4.048 3.960 -0.001 0.000 0.258 296 G C 0.080 175.091 174.900 0.185 0.000 1.202 296 G CA -0.247 44.840 45.100 -0.022 0.000 0.851 296 G HN 0.103 nan 8.290 nan 0.000 0.556 297 N N -0.097 118.757 118.700 0.257 0.000 2.487 297 N HA 0.144 4.884 4.740 -0.001 0.000 0.292 297 N C 0.821 176.461 175.510 0.217 0.000 1.108 297 N CA -0.864 52.299 53.050 0.188 0.000 0.956 297 N CB 1.442 39.995 38.487 0.111 0.000 1.176 297 N HN 0.353 nan 8.380 nan 0.000 0.484 298 D N 0.431 120.913 120.400 0.137 0.000 2.264 298 D HA -0.144 4.496 4.640 -0.001 0.000 0.208 298 D C 0.830 177.130 176.300 -0.001 0.000 0.966 298 D CA 0.814 54.858 54.000 0.072 0.000 0.864 298 D CB -0.050 40.783 40.800 0.056 0.000 0.933 298 D HN 0.665 nan 8.370 nan 0.000 0.499 299 N N 0.658 119.367 118.700 0.015 0.000 2.461 299 N HA -0.082 4.658 4.740 -0.001 0.000 0.188 299 N C -0.032 175.459 175.510 -0.032 0.000 1.134 299 N CA 0.139 53.181 53.050 -0.012 0.000 0.878 299 N CB -0.662 37.827 38.487 0.003 0.000 0.972 299 N HN -0.196 nan 8.380 nan 0.000 0.456 300 T N 2.875 117.408 114.554 -0.035 0.000 2.934 300 T HA 0.136 4.485 4.350 -0.001 0.000 0.306 300 T C 1.053 175.665 174.700 -0.147 0.000 1.042 300 T CA -0.345 61.718 62.100 -0.061 0.000 1.145 300 T CB 0.426 69.270 68.868 -0.040 0.000 0.982 300 T HN 0.326 nan 8.240 nan 0.000 0.544 301 I N 0.528 121.039 120.570 -0.098 0.000 3.138 301 I HA 0.277 4.447 4.170 -0.001 0.000 0.288 301 I C 1.399 177.431 176.117 -0.141 0.000 1.148 301 I CA -0.785 60.454 61.300 -0.102 0.000 1.315 301 I CB 0.685 38.649 38.000 -0.060 0.000 1.426 301 I HN 0.503 nan 8.210 nan 0.000 0.615 302 K N 1.419 121.747 120.400 -0.119 0.000 2.057 302 K HA -0.137 4.183 4.320 -0.001 0.000 0.207 302 K C 1.929 178.471 176.600 -0.097 0.000 1.049 302 K CA 1.902 58.113 56.287 -0.127 0.000 0.931 302 K CB -0.236 32.211 32.500 -0.088 0.000 0.714 302 K HN 0.765 nan 8.250 nan 0.000 0.440 303 E N 1.582 121.745 120.200 -0.061 0.000 2.153 303 E HA -0.221 4.128 4.350 -0.001 0.000 0.194 303 E C 1.427 178.029 176.600 0.002 0.000 0.988 303 E CA 1.292 57.675 56.400 -0.028 0.000 0.811 303 E CB -0.173 29.507 29.700 -0.034 0.000 0.746 303 E HN 0.296 nan 8.360 nan 0.000 0.466 304 K N 0.440 120.832 120.400 -0.014 0.000 2.305 304 K HA 0.078 4.398 4.320 -0.001 0.000 0.199 304 K C 2.256 178.906 176.600 0.084 0.000 1.047 304 K CA 0.333 56.649 56.287 0.047 0.000 0.976 304 K CB 0.086 32.616 32.500 0.051 0.000 0.765 304 K HN 0.024 nan 8.250 nan 0.000 0.474 305 R N 0.743 121.200 120.500 -0.071 0.000 2.236 305 R HA -0.033 4.307 4.340 -0.001 0.000 0.208 305 R C 1.092 177.364 176.300 -0.046 0.000 1.036 305 R CA 0.878 56.894 56.100 -0.140 0.000 1.001 305 R CB 0.203 30.228 30.300 -0.459 0.000 0.896 305 R HN 0.237 nan 8.270 nan 0.000 0.464 306 E N -1.204 118.976 120.200 -0.033 0.000 2.539 306 E HA 0.006 4.356 4.350 -0.001 0.000 0.215 306 E C -0.460 176.144 176.600 0.006 0.000 0.965 306 E CA -0.175 56.199 56.400 -0.045 0.000 1.019 306 E CB 0.477 30.136 29.700 -0.068 0.000 1.059 306 E HN 0.217 nan 8.360 nan 0.000 0.496 307 H N 1.071 120.122 119.070 -0.032 0.000 2.683 307 H HA 0.231 4.786 4.556 -0.001 0.000 0.339 307 H C -0.589 174.736 175.328 -0.007 0.000 1.081 307 H CA 0.191 56.228 56.048 -0.017 0.000 1.432 307 H CB 0.326 30.090 29.762 0.003 0.000 1.462 307 H HN -0.086 nan 8.280 nan 0.000 0.557 308 I N 4.852 125.030 120.570 -0.653 0.000 2.382 308 I HA 0.104 4.274 4.170 -0.001 0.000 0.286 308 I C -0.167 175.538 176.117 -0.688 0.000 1.002 308 I CA -0.759 60.240 61.300 -0.501 0.000 1.135 308 I CB 1.252 39.057 38.000 -0.326 0.000 1.288 308 I HN 0.623 nan 8.210 nan 0.000 0.448 309 D N 6.937 127.109 120.400 -0.379 0.000 2.346 309 D HA 0.105 4.744 4.640 -0.001 0.000 0.260 309 D C 0.945 177.276 176.300 0.052 0.000 1.252 309 D CA 0.157 54.128 54.000 -0.049 0.000 0.895 309 D CB 1.185 42.084 40.800 0.164 0.000 1.097 309 D HN 0.512 nan 8.370 nan 0.000 0.489 310 L N 3.125 124.380 121.223 0.052 0.000 2.156 310 L HA -0.118 4.222 4.340 -0.001 0.000 0.208 310 L C 1.799 178.747 176.870 0.131 0.000 1.095 310 L CA 0.532 55.431 54.840 0.100 0.000 0.770 310 L CB -0.119 41.986 42.059 0.077 0.000 0.914 310 L HN 0.336 nan 8.230 nan 0.000 0.439 311 D N 0.290 120.779 120.400 0.148 0.000 2.117 311 D HA -0.176 4.464 4.640 -0.001 0.000 0.197 311 D C 1.707 178.119 176.300 0.186 0.000 0.987 311 D CA 1.252 55.359 54.000 0.178 0.000 0.829 311 D CB -0.121 40.826 40.800 0.245 0.000 0.961 311 D HN 0.289 nan 8.370 nan 0.000 0.460 312 D N -0.228 120.327 120.400 0.258 0.000 2.117 312 D HA -0.119 4.520 4.640 -0.001 0.000 0.198 312 D C 1.773 178.131 176.300 0.096 0.000 0.982 312 D CA 0.351 54.520 54.000 0.282 0.000 0.828 312 D CB -0.429 40.615 40.800 0.407 0.000 0.967 312 D HN 0.133 nan 8.370 nan 0.000 0.464 313 F N 1.178 121.020 119.950 -0.181 0.000 2.146 313 F HA -0.130 4.396 4.527 -0.000 0.000 0.298 313 F C 2.505 178.160 175.800 -0.242 0.000 1.096 313 F CA 1.084 58.802 58.000 -0.471 0.000 1.275 313 F CB -0.495 38.227 39.000 -0.464 0.000 1.008 313 F HN -0.157 nan 8.300 nan 0.000 0.480 314 S N -0.287 115.303 115.700 -0.182 0.000 2.368 314 S HA -0.237 4.232 4.470 -0.001 0.000 0.225 314 S C 2.187 176.617 174.600 -0.283 0.000 1.030 314 S CA 1.673 59.728 58.200 -0.241 0.000 0.999 314 S CB -0.378 62.765 63.200 -0.096 0.000 0.844 314 S HN 0.336 nan 8.310 nan 0.000 0.459 315 K N 0.493 120.717 120.400 -0.294 0.000 2.097 315 K HA 0.035 4.355 4.320 -0.001 0.000 0.205 315 K C 1.672 177.901 176.600 -0.619 0.000 1.050 315 K CA 1.216 57.237 56.287 -0.444 0.000 0.938 315 K CB -0.797 31.280 32.500 -0.705 0.000 0.718 315 K HN 0.415 nan 8.250 nan 0.000 0.442 316 F N -0.056 119.371 119.950 -0.872 0.000 2.250 316 F HA -0.048 4.479 4.527 -0.000 0.000 0.301 316 F C 1.176 176.721 175.800 -0.425 0.000 1.077 316 F CA 1.965 59.496 58.000 -0.782 0.000 1.348 316 F CB 0.069 38.784 39.000 -0.475 0.000 1.040 316 F HN 0.234 nan 8.300 nan 0.000 0.509 317 G N -1.407 107.112 108.800 -0.468 0.000 2.173 317 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.142 317 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.142 317 G C -0.162 174.500 174.900 -0.397 0.000 1.019 317 G CA -0.257 44.596 45.100 -0.413 0.000 0.699 317 G HN 0.460 nan 8.290 nan 0.000 0.495 318 c N 0.017 118.272 118.600 -0.575 0.000 2.531 318 c HA 0.759 5.328 4.570 -0.001 0.000 0.369 318 c C 0.147 173.913 174.090 -0.540 0.000 1.258 318 c CA -0.492 55.431 56.329 -0.677 0.000 1.876 318 c CB 1.708 43.423 42.510 -1.325 0.000 2.256 318 c HN 0.521 nan 8.230 nan 0.000 0.510 319 D N 0.180 120.393 120.400 -0.312 0.000 2.313 319 D HA 0.206 4.846 4.640 -0.001 0.000 0.239 319 D C 0.869 177.177 176.300 0.013 0.000 1.142 319 D CA -0.021 53.909 54.000 -0.117 0.000 0.847 319 D CB 0.683 41.458 40.800 -0.042 0.000 1.082 319 D HN 0.383 nan 8.370 nan 0.000 0.480 320 K N 2.449 122.869 120.400 0.033 0.000 2.089 320 K HA -0.230 4.090 4.320 -0.001 0.000 0.210 320 K C 1.274 177.944 176.600 0.116 0.000 1.048 320 K CA 1.442 57.809 56.287 0.132 0.000 0.926 320 K CB 0.003 32.545 32.500 0.070 0.000 0.714 320 K HN 0.411 nan 8.250 nan 0.000 0.448 321 N N 0.415 119.154 118.700 0.065 0.000 2.223 321 N HA -0.139 4.601 4.740 -0.001 0.000 0.185 321 N C 1.718 177.259 175.510 0.052 0.000 1.016 321 N CA 1.574 54.651 53.050 0.045 0.000 0.863 321 N CB -0.448 38.054 38.487 0.025 0.000 0.983 321 N HN 0.250 nan 8.380 nan 0.000 0.429 322 S N -0.197 115.554 115.700 0.086 0.000 2.493 322 S HA -0.070 4.399 4.470 -0.001 0.000 0.243 322 S C 1.910 176.550 174.600 0.068 0.000 0.991 322 S CA 0.672 58.926 58.200 0.089 0.000 0.957 322 S CB -0.574 62.710 63.200 0.139 0.000 0.756 322 S HN 0.056 nan 8.310 nan 0.000 0.521 323 V N 1.690 121.639 119.914 0.058 0.000 2.427 323 V HA -0.086 4.034 4.120 -0.001 0.000 0.248 323 V C 2.045 178.107 176.094 -0.054 0.000 1.051 323 V CA 2.083 64.357 62.300 -0.043 0.000 1.048 323 V CB -0.553 31.220 31.823 -0.084 0.000 0.666 323 V HN 0.470 nan 8.190 nan 0.000 0.456 324 D N -1.813 118.570 120.400 -0.030 0.000 2.470 324 D HA 0.077 4.717 4.640 -0.001 0.000 0.238 324 D C 1.057 177.335 176.300 -0.036 0.000 1.054 324 D CA 0.352 54.328 54.000 -0.041 0.000 0.896 324 D CB 0.019 40.803 40.800 -0.028 0.000 1.118 324 D HN 0.268 nan 8.370 nan 0.000 0.497 325 T N 2.181 116.725 114.554 -0.017 0.000 2.866 325 T HA -0.005 4.345 4.350 -0.001 0.000 0.293 325 T C 0.942 175.625 174.700 -0.028 0.000 1.005 325 T CA 0.176 62.268 62.100 -0.014 0.000 1.162 325 T CB 0.143 69.012 68.868 0.001 0.000 0.968 325 T HN 0.193 nan 8.240 nan 0.000 0.530 326 N N 0.887 119.568 118.700 -0.032 0.000 2.279 326 N HA 0.066 4.806 4.740 -0.001 0.000 0.226 326 N C 0.048 175.541 175.510 -0.028 0.000 1.126 326 N CA -0.594 52.430 53.050 -0.042 0.000 0.846 326 N CB 0.309 38.768 38.487 -0.047 0.000 1.050 326 N HN 0.382 nan 8.380 nan 0.000 0.502 327 T N -0.929 113.613 114.554 -0.020 0.000 3.327 327 T HA 0.281 4.631 4.350 -0.001 0.000 0.244 327 T C -0.241 174.450 174.700 -0.015 0.000 1.074 327 T CA -0.644 61.450 62.100 -0.010 0.000 1.156 327 T CB 0.226 69.093 68.868 -0.001 0.000 1.087 327 T HN -0.025 nan 8.240 nan 0.000 0.575 328 K N 2.089 122.468 120.400 -0.036 0.000 2.203 328 K HA 0.716 5.036 4.320 -0.001 0.000 0.251 328 K C 0.118 176.691 176.600 -0.044 0.000 0.944 328 K CA -0.648 55.603 56.287 -0.060 0.000 0.829 328 K CB 2.508 34.931 32.500 -0.129 0.000 1.125 328 K HN 0.257 nan 8.250 nan 0.000 0.430 329 V N -1.915 117.990 119.914 -0.015 0.000 3.166 329 V HA 0.557 4.676 4.120 -0.001 0.000 0.317 329 V C -0.568 175.539 176.094 0.021 0.000 1.136 329 V CA -1.312 61.027 62.300 0.065 0.000 1.035 329 V CB 0.947 32.860 31.823 0.150 0.000 1.110 329 V HN 0.657 nan 8.190 nan 0.000 0.450 330 W N 0.725 122.039 121.300 0.024 0.000 2.223 330 W HA 0.453 5.113 4.660 -0.001 0.000 0.334 330 W C 0.506 177.031 176.519 0.010 0.000 1.334 330 W CA 0.615 57.970 57.345 0.017 0.000 1.246 330 W CB 0.051 29.587 29.460 0.128 0.000 1.184 330 W HN 0.648 nan 8.180 nan 0.000 0.563 331 E N 1.912 122.202 120.200 0.151 0.000 2.340 331 E HA 0.432 4.782 4.350 -0.001 0.000 0.273 331 E C -1.455 175.223 176.600 0.130 0.000 0.891 331 E CA -0.940 55.526 56.400 0.110 0.000 0.757 331 E CB 1.688 31.404 29.700 0.027 0.000 1.231 331 E HN 0.189 nan 8.360 nan 0.000 0.439 332 c N 3.158 121.844 118.600 0.144 0.000 2.294 332 c HA 0.491 5.061 4.570 -0.001 0.000 0.319 332 c C -0.241 173.946 174.090 0.162 0.000 1.164 332 c CA -0.767 55.652 56.329 0.150 0.000 1.497 332 c CB -1.084 41.484 42.510 0.096 0.000 2.061 332 c HN 0.693 nan 8.230 nan 0.000 0.438 333 K N 0.967 121.516 120.400 0.248 0.000 2.533 333 K HA 0.528 4.848 4.320 -0.001 0.000 0.284 333 K C -1.403 175.370 176.600 0.288 0.000 1.025 333 K CA -0.935 55.496 56.287 0.240 0.000 0.900 333 K CB 1.127 33.769 32.500 0.237 0.000 1.519 333 K HN 0.273 nan 8.250 nan 0.000 0.432 334 K N 1.111 121.608 120.400 0.163 0.000 2.383 334 K HA 0.110 4.429 4.320 -0.001 0.000 0.286 334 K C -2.028 174.544 176.600 -0.048 0.000 1.051 334 K CA -1.705 54.627 56.287 0.076 0.000 0.974 334 K CB 0.725 33.240 32.500 0.026 0.000 0.968 334 K HN 0.314 nan 8.250 nan 0.000 0.475 335 P HA -0.163 nan 4.420 nan 0.000 0.216 335 P C -0.599 176.476 177.300 -0.374 0.000 1.150 335 P CA 1.307 63.885 63.100 -0.870 0.000 0.837 335 P CB 0.137 31.374 31.700 -0.772 0.000 0.786 336 Y N -1.243 118.891 120.300 -0.275 0.000 2.562 336 Y HA 0.262 4.811 4.550 -0.001 0.000 0.345 336 Y C 1.247 177.089 175.900 -0.097 0.000 1.045 336 Y CA -1.518 56.479 58.100 -0.172 0.000 1.028 336 Y CB 1.246 39.611 38.460 -0.157 0.000 1.297 336 Y HN -0.284 nan 8.280 nan 0.000 0.463 337 K N 1.345 121.298 120.400 -0.745 0.000 2.160 337 K HA -0.152 4.168 4.320 -0.001 0.000 0.206 337 K C 0.608 177.009 176.600 -0.333 0.000 1.047 337 K CA 2.150 58.136 56.287 -0.502 0.000 0.930 337 K CB -0.162 32.020 32.500 -0.531 0.000 0.720 337 K HN 0.428 nan 8.250 nan 0.000 0.450 338 L N 1.585 122.606 121.223 -0.336 0.000 2.592 338 L HA 0.190 4.529 4.340 -0.001 0.000 0.227 338 L C -0.133 176.771 176.870 0.058 0.000 1.127 338 L CA 0.416 55.233 54.840 -0.038 0.000 0.884 338 L CB -0.027 42.097 42.059 0.108 0.000 1.065 338 L HN 0.052 nan 8.230 nan 0.000 0.457 339 S N -0.487 115.253 115.700 0.067 0.000 2.560 339 S HA 0.093 4.562 4.470 -0.001 0.000 0.284 339 S C 1.475 176.092 174.600 0.029 0.000 1.327 339 S CA 0.498 58.733 58.200 0.059 0.000 1.055 339 S CB 0.770 64.000 63.200 0.049 0.000 0.868 339 S HN 0.524 nan 8.310 nan 0.000 0.506 340 T N -0.251 114.322 114.554 0.032 0.000 3.040 340 T HA 0.281 4.631 4.350 -0.001 0.000 0.250 340 T C 0.154 174.869 174.700 0.026 0.000 1.058 340 T CA -0.023 62.089 62.100 0.020 0.000 0.988 340 T CB -0.026 68.850 68.868 0.013 0.000 0.993 340 T HN 0.425 nan 8.240 nan 0.000 0.519 341 K N 1.428 121.856 120.400 0.046 0.000 2.422 341 K HA 0.429 4.749 4.320 -0.001 0.000 0.251 341 K C -1.460 175.194 176.600 0.089 0.000 0.933 341 K CA -0.925 55.395 56.287 0.056 0.000 0.798 341 K CB 1.806 34.345 32.500 0.065 0.000 1.238 341 K HN 0.043 nan 8.250 nan 0.000 0.428 342 D N 1.419 121.870 120.400 0.085 0.000 2.372 342 D HA 0.161 4.801 4.640 -0.001 0.000 0.243 342 D C -0.490 175.915 176.300 0.176 0.000 1.121 342 D CA 0.036 54.113 54.000 0.129 0.000 0.898 342 D CB 1.388 42.244 40.800 0.093 0.000 1.202 342 D HN 0.009 nan 8.370 nan 0.000 0.428 343 V N 1.980 122.064 119.914 0.282 0.000 2.531 343 V HA 0.136 4.256 4.120 -0.001 0.000 0.301 343 V C -0.055 176.226 176.094 0.312 0.000 1.034 343 V CA -0.882 61.625 62.300 0.346 0.000 0.865 343 V CB 1.794 33.956 31.823 0.566 0.000 0.995 343 V HN 0.689 nan 8.190 nan 0.000 0.424 344 c N 5.187 123.930 118.600 0.239 0.000 2.540 344 c HA 0.465 5.035 4.570 -0.001 0.000 0.377 344 c C 0.490 174.737 174.090 0.261 0.000 1.274 344 c CA -0.404 56.079 56.329 0.257 0.000 1.718 344 c CB -0.096 42.545 42.510 0.217 0.000 2.391 344 c HN 0.673 nan 8.230 nan 0.000 0.565 345 V N 7.361 127.233 119.914 -0.070 0.000 2.495 345 V HA 0.534 4.654 4.120 -0.001 0.000 0.298 345 V C -2.398 172.993 176.094 -1.171 0.000 1.031 345 V CA -2.061 59.829 62.300 -0.683 0.000 0.871 345 V CB 2.229 33.431 31.823 -1.035 0.000 0.988 345 V HN 0.666 nan 8.190 nan 0.000 0.432 346 P HA 0.251 nan 4.420 nan 0.000 0.268 346 P C -2.235 174.317 177.300 -1.247 0.000 1.205 346 P CA -1.367 60.518 63.100 -2.024 0.000 0.771 346 P CB 0.244 31.135 31.700 -1.348 0.000 0.858 347 P HA -0.164 nan 4.420 nan 0.000 0.216 347 P C 1.539 178.604 177.300 -0.392 0.000 1.150 347 P CA 1.433 64.191 63.100 -0.571 0.000 0.837 347 P CB 0.025 31.498 31.700 -0.379 0.000 0.786 348 R N 0.234 120.526 120.500 -0.346 0.000 2.103 348 R HA -0.208 4.131 4.340 -0.001 0.000 0.242 348 R C 2.457 178.639 176.300 -0.196 0.000 1.142 348 R CA 1.801 57.792 56.100 -0.182 0.000 0.960 348 R CB -0.299 29.934 30.300 -0.111 0.000 0.858 348 R HN -0.044 nan 8.270 nan 0.000 0.439 349 R N 0.632 120.913 120.500 -0.364 0.000 2.062 349 R HA -0.057 4.282 4.340 -0.001 0.000 0.229 349 R C 2.154 178.291 176.300 -0.271 0.000 1.128 349 R CA 1.853 57.779 56.100 -0.290 0.000 0.960 349 R CB -0.530 29.470 30.300 -0.501 0.000 0.855 349 R HN 0.325 nan 8.270 nan 0.000 0.432 350 Q N 0.111 119.630 119.800 -0.469 0.000 2.226 350 Q HA -0.127 4.213 4.340 -0.001 0.000 0.204 350 Q C 1.056 176.977 176.000 -0.131 0.000 0.975 350 Q CA 1.617 57.178 55.803 -0.404 0.000 0.866 350 Q CB 0.135 28.542 28.738 -0.551 0.000 0.915 350 Q HN 0.516 nan 8.270 nan 0.000 0.440 351 E N 0.031 120.162 120.200 -0.115 0.000 2.481 351 E HA -0.040 4.310 4.350 -0.001 0.000 0.195 351 E C -0.172 176.456 176.600 0.047 0.000 1.047 351 E CA -0.339 56.047 56.400 -0.024 0.000 0.867 351 E CB 0.214 29.893 29.700 -0.035 0.000 0.858 351 E HN 0.146 nan 8.360 nan 0.000 0.513 352 L N 1.252 122.509 121.223 0.057 0.000 2.462 352 L HA 0.016 4.356 4.340 -0.001 0.000 0.272 352 L C -0.497 176.465 176.870 0.152 0.000 1.166 352 L CA 0.007 54.920 54.840 0.123 0.000 0.880 352 L CB 0.641 42.780 42.059 0.134 0.000 1.142 352 L HN 0.023 nan 8.230 nan 0.000 0.473 353 c N 6.574 125.287 118.600 0.188 0.000 2.273 353 c HA 0.382 4.952 4.570 -0.001 0.000 0.328 353 c C 1.307 175.522 174.090 0.208 0.000 1.275 353 c CA -0.803 55.627 56.329 0.168 0.000 1.704 353 c CB -0.529 42.063 42.510 0.137 0.000 2.326 353 c HN 0.951 nan 8.230 nan 0.000 0.517 354 L N 5.908 127.229 121.223 0.163 0.000 2.591 354 L HA 0.296 4.636 4.340 -0.001 0.000 0.228 354 L C 1.604 178.565 176.870 0.151 0.000 1.133 354 L CA 0.770 55.727 54.840 0.195 0.000 0.880 354 L CB -1.250 40.918 42.059 0.181 0.000 1.033 354 L HN 1.137 nan 8.230 nan 0.000 0.450 355 G N 1.326 110.108 108.800 -0.031 0.000 2.750 355 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.228 355 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.228 355 G C -0.141 174.608 174.900 -0.252 0.000 1.367 355 G CA -0.226 44.648 45.100 -0.377 0.000 0.871 355 G HN 0.344 nan 8.290 nan 0.000 0.560 356 N N 0.620 119.096 118.700 -0.374 0.000 2.549 356 N HA 0.296 5.035 4.740 -0.001 0.000 0.267 356 N C 1.685 177.034 175.510 -0.268 0.000 1.182 356 N CA 0.108 53.006 53.050 -0.253 0.000 1.019 356 N CB -0.365 37.972 38.487 -0.249 0.000 1.380 356 N HN 0.490 nan 8.380 nan 0.000 0.505 357 I N 0.792 121.223 120.570 -0.233 0.000 2.394 357 I HA -0.203 3.967 4.170 -0.001 0.000 0.251 357 I C 1.407 177.412 176.117 -0.188 0.000 1.136 357 I CA 0.838 61.967 61.300 -0.286 0.000 1.425 357 I CB 0.004 37.921 38.000 -0.139 0.000 1.079 357 I HN 0.418 nan 8.210 nan 0.000 0.425 358 D N 0.695 121.022 120.400 -0.122 0.000 2.218 358 D HA -0.197 4.442 4.640 -0.001 0.000 0.204 358 D C 2.148 178.422 176.300 -0.044 0.000 0.976 358 D CA 0.820 54.775 54.000 -0.074 0.000 0.853 358 D CB -0.222 40.542 40.800 -0.060 0.000 0.939 358 D HN 0.361 nan 8.370 nan 0.000 0.481 359 R N 0.499 120.972 120.500 -0.045 0.000 2.148 359 R HA -0.071 4.269 4.340 -0.001 0.000 0.227 359 R C 0.674 177.039 176.300 0.109 0.000 1.103 359 R CA 0.366 56.486 56.100 0.034 0.000 0.983 359 R CB 0.159 30.477 30.300 0.030 0.000 0.874 359 R HN -0.002 nan 8.270 nan 0.000 0.451 360 I N 2.253 122.838 120.570 0.026 0.000 2.556 360 I HA -0.063 4.107 4.170 -0.001 0.000 0.284 360 I C 0.043 176.280 176.117 0.200 0.000 1.114 360 I CA -0.331 61.017 61.300 0.080 0.000 1.418 360 I CB -0.306 37.662 38.000 -0.053 0.000 1.394 360 I HN -0.029 nan 8.210 nan 0.000 0.552 361 Y N 4.036 124.329 120.300 -0.011 0.000 2.442 361 Y HA 0.051 4.600 4.550 -0.000 0.000 0.330 361 Y C 0.963 176.847 175.900 -0.026 0.000 1.129 361 Y CA -0.453 57.641 58.100 -0.011 0.000 1.365 361 Y CB -0.119 38.346 38.460 0.008 0.000 1.233 361 Y HN 0.490 nan 8.280 nan 0.000 0.529 362 D N 3.365 123.799 120.400 0.056 0.000 2.449 362 D HA -0.034 4.606 4.640 -0.001 0.000 0.236 362 D C 0.307 176.622 176.300 0.025 0.000 1.149 362 D CA 0.484 54.486 54.000 0.004 0.000 0.878 362 D CB 0.345 41.119 40.800 -0.044 0.000 1.198 362 D HN 0.507 nan 8.370 nan 0.000 0.446 363 K N 0.117 120.504 120.400 -0.022 0.000 3.071 363 K HA -0.229 4.091 4.320 -0.001 0.000 0.265 363 K C -0.190 176.412 176.600 0.004 0.000 1.060 363 K CA 0.322 56.585 56.287 -0.040 0.000 0.767 363 K CB -1.125 31.351 32.500 -0.041 0.000 1.241 363 K HN 0.351 nan 8.250 nan 0.000 0.486 364 N N 1.105 119.821 118.700 0.026 0.000 2.617 364 N HA 0.125 4.865 4.740 -0.001 0.000 0.263 364 N C 0.166 175.691 175.510 0.026 0.000 1.074 364 N CA -0.369 52.708 53.050 0.045 0.000 0.841 364 N CB 1.345 39.887 38.487 0.092 0.000 1.221 364 N HN 0.064 nan 8.380 nan 0.000 0.529 365 L N 4.001 125.228 121.223 0.007 0.000 2.093 365 L HA 0.051 4.391 4.340 -0.001 0.000 0.208 365 L C 1.846 178.788 176.870 0.120 0.000 1.085 365 L CA 1.329 56.170 54.840 0.001 0.000 0.755 365 L CB -0.464 41.593 42.059 -0.003 0.000 0.904 365 L HN 0.597 nan 8.230 nan 0.000 0.435 366 L N -1.020 120.270 121.223 0.113 0.000 2.046 366 L HA -0.204 4.136 4.340 -0.001 0.000 0.208 366 L C 2.451 179.410 176.870 0.148 0.000 1.077 366 L CA 1.949 56.870 54.840 0.135 0.000 0.747 366 L CB -0.532 41.577 42.059 0.083 0.000 0.896 366 L HN 0.358 nan 8.230 nan 0.000 0.432 367 M N -1.593 118.073 119.600 0.112 0.000 2.117 367 M HA -0.209 4.271 4.480 -0.001 0.000 0.262 367 M C 2.140 178.558 176.300 0.196 0.000 1.065 367 M CA 1.835 57.207 55.300 0.120 0.000 1.114 367 M CB -0.138 32.493 32.600 0.052 0.000 1.361 367 M HN 0.399 nan 8.290 nan 0.000 0.408 368 I N 0.353 121.036 120.570 0.189 0.000 2.439 368 I HA -0.243 3.927 4.170 -0.001 0.000 0.251 368 I C 2.220 178.598 176.117 0.435 0.000 1.139 368 I CA 1.552 63.008 61.300 0.260 0.000 1.438 368 I CB -0.482 37.599 38.000 0.134 0.000 1.085 368 I HN 0.224 nan 8.210 nan 0.000 0.427 369 K N 0.542 121.229 120.400 0.478 0.000 2.026 369 K HA -0.226 4.093 4.320 -0.001 0.000 0.208 369 K C 1.974 178.750 176.600 0.294 0.000 1.048 369 K CA 1.929 58.513 56.287 0.494 0.000 0.929 369 K CB -0.181 32.588 32.500 0.447 0.000 0.713 369 K HN 0.436 nan 8.250 nan 0.000 0.439 370 E N -0.755 119.594 120.200 0.248 0.000 2.077 370 E HA -0.245 4.105 4.350 -0.001 0.000 0.193 370 E C 2.049 178.805 176.600 0.261 0.000 0.989 370 E CA 1.394 57.911 56.400 0.195 0.000 0.800 370 E CB -0.231 29.569 29.700 0.167 0.000 0.746 370 E HN 0.438 nan 8.360 nan 0.000 0.452 371 H N 0.722 119.953 119.070 0.270 0.000 2.319 371 H HA -0.100 4.456 4.556 -0.001 0.000 0.299 371 H C 1.933 177.484 175.328 0.372 0.000 1.092 371 H CA 1.774 58.040 56.048 0.363 0.000 1.302 371 H CB -0.077 29.857 29.762 0.287 0.000 1.373 371 H HN 0.076 nan 8.280 nan 0.000 0.497 372 I N -0.255 120.519 120.570 0.341 0.000 2.315 372 I HA -0.229 3.940 4.170 -0.001 0.000 0.248 372 I C 2.079 178.293 176.117 0.161 0.000 1.117 372 I CA 0.777 62.237 61.300 0.266 0.000 1.404 372 I CB -0.112 38.084 38.000 0.326 0.000 1.071 372 I HN 0.276 nan 8.210 nan 0.000 0.419 373 L N 0.314 121.608 121.223 0.118 0.000 2.093 373 L HA -0.165 4.174 4.340 -0.001 0.000 0.208 373 L C 2.838 179.687 176.870 -0.036 0.000 1.085 373 L CA 1.199 56.059 54.840 0.034 0.000 0.755 373 L CB -0.734 41.324 42.059 -0.002 0.000 0.904 373 L HN 0.223 nan 8.230 nan 0.000 0.435 374 A N 0.432 123.224 122.820 -0.048 0.000 1.933 374 A HA -0.180 4.139 4.320 -0.001 0.000 0.218 374 A C 2.221 179.702 177.584 -0.173 0.000 1.175 374 A CA 1.428 53.325 52.037 -0.233 0.000 0.628 374 A CB -0.637 18.229 19.000 -0.223 0.000 0.814 374 A HN 0.337 nan 8.150 nan 0.000 0.444 375 I N -0.216 120.392 120.570 0.063 0.000 2.163 375 I HA -0.337 3.833 4.170 -0.001 0.000 0.243 375 I C 2.991 179.197 176.117 0.149 0.000 1.085 375 I CA 1.214 62.643 61.300 0.214 0.000 1.347 375 I CB -0.362 37.784 38.000 0.243 0.000 1.044 375 I HN 0.378 nan 8.210 nan 0.000 0.408 376 A N 0.907 123.784 122.820 0.095 0.000 1.877 376 A HA -0.173 4.147 4.320 -0.001 0.000 0.216 376 A C 2.278 179.865 177.584 0.006 0.000 1.186 376 A CA 1.558 53.648 52.037 0.087 0.000 0.620 376 A CB -0.795 18.270 19.000 0.108 0.000 0.822 376 A HN 0.377 nan 8.150 nan 0.000 0.443 377 I N -2.063 118.444 120.570 -0.106 0.000 2.142 377 I HA -0.280 3.890 4.170 -0.001 0.000 0.240 377 I C 2.438 178.429 176.117 -0.210 0.000 1.078 377 I CA 1.582 62.757 61.300 -0.208 0.000 1.343 377 I CB -0.559 37.220 38.000 -0.368 0.000 1.046 377 I HN 0.422 nan 8.210 nan 0.000 0.405 378 Y N 0.658 120.868 120.300 -0.150 0.000 2.128 378 Y HA -0.331 4.218 4.550 -0.000 0.000 0.284 378 Y C 2.708 178.507 175.900 -0.168 0.000 1.154 378 Y CA 1.585 59.558 58.100 -0.211 0.000 1.149 378 Y CB -0.229 38.141 38.460 -0.150 0.000 0.976 378 Y HN 0.163 nan 8.280 nan 0.000 0.505 379 E N 0.498 120.766 120.200 0.114 0.000 2.106 379 E HA -0.178 4.171 4.350 -0.001 0.000 0.192 379 E C 2.223 178.840 176.600 0.029 0.000 0.984 379 E CA 1.573 58.025 56.400 0.087 0.000 0.806 379 E CB -0.355 29.428 29.700 0.138 0.000 0.750 379 E HN 0.373 nan 8.360 nan 0.000 0.458 380 S N 0.120 115.823 115.700 0.005 0.000 2.383 380 S HA -0.208 4.261 4.470 -0.001 0.000 0.229 380 S C 2.044 176.590 174.600 -0.090 0.000 1.030 380 S CA 1.153 59.329 58.200 -0.040 0.000 1.002 380 S CB -0.399 62.755 63.200 -0.076 0.000 0.829 380 S HN 0.277 nan 8.310 nan 0.000 0.467 381 R N 0.573 121.011 120.500 -0.104 0.000 2.115 381 R HA 0.243 4.583 4.340 -0.001 0.000 0.226 381 R C 2.335 178.561 176.300 -0.123 0.000 1.100 381 R CA 1.315 57.339 56.100 -0.125 0.000 0.980 381 R CB -0.535 29.686 30.300 -0.132 0.000 0.875 381 R HN 0.455 nan 8.270 nan 0.000 0.445 382 I N 0.929 121.425 120.570 -0.123 0.000 2.179 382 I HA -0.300 3.870 4.170 -0.001 0.000 0.242 382 I C 2.149 178.220 176.117 -0.076 0.000 1.088 382 I CA 1.425 62.653 61.300 -0.119 0.000 1.357 382 I CB -0.207 37.729 38.000 -0.107 0.000 1.051 382 I HN 0.131 nan 8.210 nan 0.000 0.409 383 L N 0.245 121.461 121.223 -0.013 0.000 2.056 383 L HA -0.200 4.139 4.340 -0.001 0.000 0.207 383 L C 2.570 179.496 176.870 0.093 0.000 1.078 383 L CA 1.123 56.015 54.840 0.086 0.000 0.749 383 L CB -0.525 41.636 42.059 0.170 0.000 0.901 383 L HN 0.130 nan 8.230 nan 0.000 0.433 384 K N 0.502 120.898 120.400 -0.008 0.000 2.103 384 K HA -0.209 4.110 4.320 -0.001 0.000 0.207 384 K C 2.273 178.853 176.600 -0.033 0.000 1.048 384 K CA 1.433 57.692 56.287 -0.046 0.000 0.930 384 K CB -0.146 32.247 32.500 -0.178 0.000 0.716 384 K HN 0.056 nan 8.250 nan 0.000 0.444 385 R N 0.254 120.711 120.500 -0.071 0.000 2.075 385 R HA -0.075 4.264 4.340 -0.001 0.000 0.226 385 R C 2.155 178.386 176.300 -0.116 0.000 1.114 385 R CA 1.555 57.606 56.100 -0.081 0.000 0.972 385 R CB -0.147 30.096 30.300 -0.094 0.000 0.869 385 R HN 0.134 nan 8.270 nan 0.000 0.437 386 K N -0.368 119.916 120.400 -0.194 0.000 2.057 386 K HA -0.163 4.157 4.320 -0.001 0.000 0.207 386 K C 0.185 176.494 176.600 -0.485 0.000 1.049 386 K CA 1.349 57.399 56.287 -0.395 0.000 0.931 386 K CB 0.028 32.170 32.500 -0.596 0.000 0.714 386 K HN 0.185 nan 8.250 nan 0.000 0.440 387 Y N 1.419 121.719 120.300 -0.000 0.000 2.839 387 Y HA 0.163 4.713 4.550 -0.001 0.000 0.361 387 Y C 0.849 176.759 175.900 0.016 0.000 1.008 387 Y CA -0.589 57.520 58.100 0.016 0.000 1.534 387 Y CB 0.283 38.764 38.460 0.035 0.000 1.395 387 Y HN 0.105 nan 8.280 nan 0.000 0.534 388 K N -1.239 119.203 120.400 0.069 0.000 2.147 388 K HA -0.125 4.195 4.320 -0.001 0.000 0.205 388 K C 0.789 177.427 176.600 0.063 0.000 1.049 388 K CA 1.642 57.958 56.287 0.050 0.000 0.936 388 K CB -0.011 32.492 32.500 0.006 0.000 0.722 388 K HN 0.081 nan 8.250 nan 0.000 0.446 389 N N 0.969 119.710 118.700 0.070 0.000 2.461 389 N HA 0.022 4.762 4.740 -0.001 0.000 0.188 389 N C -0.498 175.059 175.510 0.079 0.000 1.134 389 N CA 0.530 53.618 53.050 0.062 0.000 0.878 389 N CB 0.229 38.745 38.487 0.050 0.000 0.972 389 N HN 0.313 nan 8.380 nan 0.000 0.456 390 K N 0.978 121.444 120.400 0.111 0.000 2.156 390 K HA 0.166 4.486 4.320 -0.001 0.000 0.250 390 K C -0.344 176.307 176.600 0.084 0.000 0.955 390 K CA -0.786 55.558 56.287 0.095 0.000 0.855 390 K CB 1.351 33.916 32.500 0.108 0.000 1.101 390 K HN 0.080 nan 8.250 nan 0.000 0.434 391 D N -0.390 120.045 120.400 0.058 0.000 2.377 391 D HA 0.010 4.650 4.640 -0.001 0.000 0.245 391 D C 0.106 176.446 176.300 0.067 0.000 1.196 391 D CA -0.314 53.718 54.000 0.052 0.000 0.962 391 D CB 0.554 41.368 40.800 0.024 0.000 1.127 391 D HN 0.302 nan 8.370 nan 0.000 0.471 392 D N -0.833 119.599 120.400 0.054 0.000 2.264 392 D HA -0.099 4.541 4.640 -0.001 0.000 0.208 392 D C 1.526 177.767 176.300 -0.100 0.000 0.966 392 D CA 0.757 54.779 54.000 0.037 0.000 0.864 392 D CB 0.061 40.842 40.800 -0.033 0.000 0.933 392 D HN 0.279 nan 8.370 nan 0.000 0.499 393 K N 0.829 121.186 120.400 -0.071 0.000 2.057 393 K HA -0.081 4.239 4.320 -0.001 0.000 0.206 393 K C 1.943 178.526 176.600 -0.028 0.000 1.050 393 K CA 0.768 57.013 56.287 -0.070 0.000 0.935 393 K CB -0.170 32.304 32.500 -0.043 0.000 0.715 393 K HN 0.382 nan 8.250 nan 0.000 0.439 394 E N 0.518 120.715 120.200 -0.004 0.000 2.028 394 E HA -0.112 4.238 4.350 -0.001 0.000 0.191 394 E C 2.106 178.707 176.600 0.002 0.000 0.988 394 E CA 1.088 57.483 56.400 -0.007 0.000 0.799 394 E CB -0.107 29.585 29.700 -0.013 0.000 0.755 394 E HN -0.050 nan 8.360 nan 0.000 0.447 395 V N 1.439 121.396 119.914 0.072 0.000 2.407 395 V HA -0.283 3.837 4.120 -0.001 0.000 0.248 395 V C 2.558 178.813 176.094 0.268 0.000 1.055 395 V CA 1.550 63.951 62.300 0.169 0.000 1.049 395 V CB -0.528 31.485 31.823 0.317 0.000 0.662 395 V HN 0.539 nan 8.190 nan 0.000 0.455 396 c N 0.537 119.256 118.600 0.199 0.000 2.413 396 c HA -0.204 4.366 4.570 -0.001 0.000 0.276 396 c C 2.814 176.999 174.090 0.158 0.000 1.248 396 c CA 1.552 57.956 56.329 0.124 0.000 1.742 396 c CB -0.991 41.397 42.510 -0.202 0.000 2.017 396 c HN 0.562 nan 8.230 nan 0.000 0.481 397 K N 0.174 120.630 120.400 0.094 0.000 2.097 397 K HA -0.087 4.233 4.320 -0.001 0.000 0.206 397 K C 1.783 178.457 176.600 0.124 0.000 1.049 397 K CA 1.832 58.181 56.287 0.102 0.000 0.933 397 K CB -0.253 32.284 32.500 0.061 0.000 0.717 397 K HN 0.596 nan 8.250 nan 0.000 0.442 398 I N 1.011 121.632 120.570 0.085 0.000 2.252 398 I HA -0.271 3.898 4.170 -0.001 0.000 0.245 398 I C 2.085 178.301 176.117 0.166 0.000 1.102 398 I CA 0.810 62.154 61.300 0.074 0.000 1.385 398 I CB -0.219 37.745 38.000 -0.060 0.000 1.064 398 I HN 0.118 nan 8.210 nan 0.000 0.414 399 I N 1.040 121.739 120.570 0.214 0.000 2.208 399 I HA -0.276 3.894 4.170 -0.001 0.000 0.245 399 I C 2.146 178.470 176.117 0.345 0.000 1.097 399 I CA 1.586 63.041 61.300 0.258 0.000 1.363 399 I CB -1.439 36.728 38.000 0.279 0.000 1.051 399 I HN 0.342 nan 8.210 nan 0.000 0.413 400 N N 1.350 120.260 118.700 0.351 0.000 2.166 400 N HA -0.175 4.565 4.740 -0.001 0.000 0.186 400 N C 1.762 177.493 175.510 0.367 0.000 1.019 400 N CA 1.136 54.423 53.050 0.394 0.000 0.856 400 N CB -0.236 38.413 38.487 0.270 0.000 0.993 400 N HN 0.445 nan 8.380 nan 0.000 0.426 401 K N -0.168 120.401 120.400 0.282 0.000 2.057 401 K HA 0.009 4.329 4.320 -0.001 0.000 0.206 401 K C 1.915 178.684 176.600 0.281 0.000 1.050 401 K CA 1.268 57.712 56.287 0.262 0.000 0.935 401 K CB -0.143 32.486 32.500 0.215 0.000 0.715 401 K HN 0.109 nan 8.250 nan 0.000 0.439 402 T N 0.887 115.608 114.554 0.278 0.000 2.857 402 T HA -0.104 4.246 4.350 -0.001 0.000 0.266 402 T C 1.408 176.287 174.700 0.298 0.000 1.048 402 T CA 0.863 63.117 62.100 0.257 0.000 1.139 402 T CB -0.251 68.749 68.868 0.220 0.000 0.874 402 T HN 0.184 nan 8.240 nan 0.000 0.455 403 F N 2.310 122.409 119.950 0.248 0.000 2.134 403 F HA -0.017 4.510 4.527 -0.000 0.000 0.299 403 F C 2.381 178.322 175.800 0.235 0.000 1.097 403 F CA 1.078 59.259 58.000 0.301 0.000 1.264 403 F CB -0.542 38.733 39.000 0.458 0.000 1.001 403 F HN 0.135 nan 8.300 nan 0.000 0.479 404 A N -0.107 122.850 122.820 0.229 0.000 1.930 404 A HA -0.168 4.152 4.320 -0.001 0.000 0.217 404 A C 1.965 179.519 177.584 -0.049 0.000 1.175 404 A CA 1.872 53.934 52.037 0.041 0.000 0.627 404 A CB -0.952 18.136 19.000 0.147 0.000 0.815 404 A HN 0.436 nan 8.150 nan 0.000 0.443 405 D N 0.122 120.570 120.400 0.080 0.000 2.097 405 D HA -0.121 4.519 4.640 -0.001 0.000 0.195 405 D C 1.826 178.126 176.300 0.000 0.000 0.989 405 D CA 1.166 55.232 54.000 0.110 0.000 0.827 405 D CB -0.364 40.594 40.800 0.263 0.000 0.966 405 D HN 0.505 nan 8.370 nan 0.000 0.456 406 I N 0.588 121.142 120.570 -0.027 0.000 2.208 406 I HA -0.269 3.900 4.170 -0.001 0.000 0.245 406 I C 2.587 178.516 176.117 -0.313 0.000 1.097 406 I CA 0.924 62.183 61.300 -0.068 0.000 1.363 406 I CB -0.136 37.878 38.000 0.023 0.000 1.051 406 I HN -0.055 nan 8.210 nan 0.000 0.413 407 R N 0.916 121.042 120.500 -0.624 0.000 2.081 407 R HA -0.206 4.134 4.340 -0.001 0.000 0.235 407 R C 1.917 177.791 176.300 -0.709 0.000 1.131 407 R CA 1.945 57.338 56.100 -1.178 0.000 0.960 407 R CB -0.202 29.390 30.300 -1.180 0.000 0.856 407 R HN 0.322 nan 8.270 nan 0.000 0.436 408 D N 0.293 120.456 120.400 -0.395 0.000 2.144 408 D HA -0.134 4.505 4.640 -0.001 0.000 0.200 408 D C 1.956 178.156 176.300 -0.167 0.000 0.978 408 D CA 1.280 55.129 54.000 -0.252 0.000 0.833 408 D CB -0.024 40.672 40.800 -0.174 0.000 0.961 408 D HN 0.345 nan 8.370 nan 0.000 0.470 409 I N 0.824 121.330 120.570 -0.106 0.000 2.142 409 I HA -0.254 3.916 4.170 -0.001 0.000 0.240 409 I C 2.427 178.530 176.117 -0.024 0.000 1.078 409 I CA 0.859 62.148 61.300 -0.019 0.000 1.343 409 I CB -0.136 37.897 38.000 0.056 0.000 1.046 409 I HN -0.065 nan 8.210 nan 0.000 0.405 410 I N 0.603 121.137 120.570 -0.060 0.000 2.286 410 I HA -0.194 3.975 4.170 -0.001 0.000 0.248 410 I C 2.461 178.566 176.117 -0.020 0.000 1.115 410 I CA 1.524 62.838 61.300 0.022 0.000 1.392 410 I CB -0.683 37.356 38.000 0.065 0.000 1.065 410 I HN 0.255 nan 8.210 nan 0.000 0.418 411 G N -0.241 108.466 108.800 -0.156 0.000 2.679 411 G HA2 0.080 4.040 3.960 -0.001 0.000 0.212 411 G HA3 0.080 4.040 3.960 -0.001 0.000 0.212 411 G C 1.433 176.285 174.900 -0.080 0.000 1.137 411 G CA 0.546 45.567 45.100 -0.131 0.000 0.787 411 G HN 0.583 nan 8.290 nan 0.000 0.534 412 G N -0.411 108.349 108.800 -0.067 0.000 2.153 412 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.252 412 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.252 412 G C 1.021 175.857 174.900 -0.107 0.000 0.994 412 G CA 1.472 46.535 45.100 -0.061 0.000 0.698 412 G HN 1.240 nan 8.290 nan 0.000 0.521 413 T N -2.540 111.929 114.554 -0.141 0.000 3.105 413 T HA 0.333 4.682 4.350 -0.001 0.000 0.253 413 T C 0.470 175.018 174.700 -0.252 0.000 1.047 413 T CA 0.520 62.497 62.100 -0.204 0.000 0.944 413 T CB 0.743 69.496 68.868 -0.191 0.000 1.016 413 T HN 0.440 nan 8.240 nan 0.000 0.544 414 D N 0.305 120.617 120.400 -0.147 0.000 2.351 414 D HA 0.064 4.704 4.640 -0.001 0.000 0.251 414 D C 0.033 176.332 176.300 -0.002 0.000 1.137 414 D CA -0.402 53.564 54.000 -0.056 0.000 0.879 414 D CB 0.815 41.659 40.800 0.072 0.000 1.181 414 D HN 0.224 nan 8.370 nan 0.000 0.448 415 Y N 2.083 122.395 120.300 0.019 0.000 2.457 415 Y HA -0.039 4.510 4.550 -0.001 0.000 0.292 415 Y C 1.216 177.337 175.900 0.367 0.000 1.125 415 Y CA 0.214 58.402 58.100 0.147 0.000 1.254 415 Y CB 0.151 38.692 38.460 0.136 0.000 1.012 415 Y HN 0.521 nan 8.280 nan 0.000 0.555 416 W N 2.567 124.123 121.300 0.426 0.000 1.518 416 W HA 0.112 4.772 4.660 -0.001 0.000 0.426 416 W C -0.077 176.554 176.519 0.187 0.000 0.675 416 W CA -0.394 57.146 57.345 0.325 0.000 1.936 416 W CB -0.345 29.313 29.460 0.330 0.000 1.749 416 W HN -0.025 nan 8.180 nan 0.000 0.247 417 N N 3.580 122.237 118.700 -0.072 0.000 3.124 417 N HA -0.053 4.687 4.740 -0.001 0.000 0.284 417 N C -0.114 175.218 175.510 -0.297 0.000 1.209 417 N CA 0.160 53.125 53.050 -0.142 0.000 1.149 417 N CB -0.121 38.314 38.487 -0.088 0.000 1.434 417 N HN 0.253 nan 8.380 nan 0.000 0.529 418 D N -0.017 120.141 120.400 -0.404 0.000 2.478 418 D HA -0.036 4.604 4.640 -0.001 0.000 0.269 418 D C 1.441 177.615 176.300 -0.211 0.000 1.232 418 D CA -0.657 53.135 54.000 -0.346 0.000 1.059 418 D CB 0.383 40.921 40.800 -0.436 0.000 1.104 418 D HN 0.091 nan 8.370 nan 0.000 0.566 419 L N 0.453 121.623 121.223 -0.087 0.000 2.012 419 L HA -0.175 4.165 4.340 -0.001 0.000 0.210 419 L C 2.180 178.997 176.870 -0.087 0.000 1.073 419 L CA 1.934 56.711 54.840 -0.105 0.000 0.748 419 L CB -1.096 41.000 42.059 0.062 0.000 0.891 419 L HN 0.453 nan 8.230 nan 0.000 0.431 420 S N -0.036 115.646 115.700 -0.030 0.000 2.359 420 S HA -0.216 4.254 4.470 -0.001 0.000 0.224 420 S C 1.858 176.459 174.600 0.001 0.000 1.035 420 S CA 1.381 59.582 58.200 0.000 0.000 1.018 420 S CB -0.661 62.567 63.200 0.047 0.000 0.876 420 S HN 0.611 nan 8.310 nan 0.000 0.448 421 N N 1.495 120.192 118.700 -0.006 0.000 2.069 421 N HA -0.120 4.619 4.740 -0.001 0.000 0.191 421 N C 1.729 177.215 175.510 -0.041 0.000 1.031 421 N CA 1.407 54.459 53.050 0.004 0.000 0.852 421 N CB -0.228 38.258 38.487 -0.002 0.000 1.018 421 N HN 0.365 nan 8.380 nan 0.000 0.423 422 R N 0.407 120.837 120.500 -0.116 0.000 2.096 422 R HA -0.015 4.325 4.340 -0.001 0.000 0.235 422 R C 2.302 178.545 176.300 -0.095 0.000 1.127 422 R CA 1.326 57.337 56.100 -0.148 0.000 0.968 422 R CB -0.058 30.067 30.300 -0.291 0.000 0.861 422 R HN 0.277 nan 8.270 nan 0.000 0.440 423 K N 0.219 120.572 120.400 -0.078 0.000 2.097 423 K HA -0.115 4.205 4.320 -0.001 0.000 0.205 423 K C 1.975 178.562 176.600 -0.021 0.000 1.050 423 K CA 0.854 57.110 56.287 -0.051 0.000 0.938 423 K CB -0.129 32.342 32.500 -0.048 0.000 0.718 423 K HN 0.021 nan 8.250 nan 0.000 0.442 424 L N 0.778 122.006 121.223 0.007 0.000 2.027 424 L HA -0.141 4.198 4.340 -0.001 0.000 0.206 424 L C 1.958 178.867 176.870 0.064 0.000 1.074 424 L CA 1.438 56.310 54.840 0.054 0.000 0.745 424 L CB -0.214 41.908 42.059 0.105 0.000 0.898 424 L HN -0.107 nan 8.230 nan 0.000 0.433 425 V N -0.030 119.911 119.914 0.045 0.000 2.407 425 V HA -0.188 3.932 4.120 -0.001 0.000 0.248 425 V C 2.601 178.713 176.094 0.031 0.000 1.055 425 V CA 1.658 63.988 62.300 0.050 0.000 1.049 425 V CB -1.595 30.242 31.823 0.024 0.000 0.662 425 V HN 0.629 nan 8.190 nan 0.000 0.455 426 G N -0.034 108.765 108.800 -0.002 0.000 2.459 426 G HA2 -0.358 3.602 3.960 -0.001 0.000 0.217 426 G HA3 -0.358 3.602 3.960 -0.001 0.000 0.217 426 G C 1.597 176.489 174.900 -0.014 0.000 1.183 426 G CA 1.335 46.425 45.100 -0.016 0.000 0.776 426 G HN 0.446 nan 8.290 nan 0.000 0.552 427 K N 0.622 121.015 120.400 -0.011 0.000 2.032 427 K HA 0.012 4.331 4.320 -0.001 0.000 0.209 427 K C 2.434 179.024 176.600 -0.017 0.000 1.048 427 K CA 1.073 57.350 56.287 -0.016 0.000 0.927 427 K CB -0.588 31.904 32.500 -0.013 0.000 0.712 427 K HN 0.417 nan 8.250 nan 0.000 0.441 428 I N 0.963 121.541 120.570 0.014 0.000 2.163 428 I HA -0.336 3.833 4.170 -0.001 0.000 0.243 428 I C 1.658 177.795 176.117 0.033 0.000 1.085 428 I CA 1.351 62.651 61.300 -0.001 0.000 1.347 428 I CB -0.430 37.625 38.000 0.091 0.000 1.044 428 I HN 0.232 nan 8.210 nan 0.000 0.408 429 N N 0.420 119.147 118.700 0.045 0.000 2.289 429 N HA -0.155 4.585 4.740 -0.001 0.000 0.184 429 N C 1.897 177.336 175.510 -0.118 0.000 1.016 429 N CA 1.890 54.951 53.050 0.018 0.000 0.872 429 N CB -0.708 37.793 38.487 0.023 0.000 0.973 429 N HN 0.503 nan 8.380 nan 0.000 0.433 430 T N -1.550 112.941 114.554 -0.106 0.000 2.977 430 T HA -0.040 4.310 4.350 -0.001 0.000 0.271 430 T C 1.153 175.720 174.700 -0.222 0.000 1.105 430 T CA 0.858 62.877 62.100 -0.135 0.000 1.116 430 T CB -0.160 68.654 68.868 -0.089 0.000 0.878 430 T HN 0.146 nan 8.240 nan 0.000 0.509 431 N N 1.478 119.996 118.700 -0.304 0.000 2.383 431 N HA 0.101 4.841 4.740 -0.001 0.000 0.192 431 N C 0.353 175.262 175.510 -1.002 0.000 1.141 431 N CA 0.018 52.807 53.050 -0.436 0.000 0.851 431 N CB 0.288 38.610 38.487 -0.274 0.000 0.976 431 N HN 0.394 nan 8.380 nan 0.000 0.465 432 S N 2.007 117.034 115.700 -1.121 0.000 2.537 432 S HA -0.007 4.463 4.470 -0.001 0.000 0.286 432 S C 1.202 175.307 174.600 -0.825 0.000 1.299 432 S CA -0.510 56.837 58.200 -1.421 0.000 1.067 432 S CB 0.347 63.153 63.200 -0.657 0.000 0.864 432 S HN 0.356 nan 8.310 nan 0.000 0.494 433 N N 3.752 121.950 118.700 -0.836 0.000 2.398 433 N HA 0.028 4.767 4.740 -0.001 0.000 0.188 433 N C -0.509 174.797 175.510 -0.342 0.000 1.122 433 N CA 0.234 52.999 53.050 -0.476 0.000 0.866 433 N CB -0.375 37.904 38.487 -0.347 0.000 0.970 433 N HN 0.646 nan 8.380 nan 0.000 0.462 434 Y N -0.548 119.673 120.300 -0.132 0.000 2.299 434 Y HA 0.188 4.737 4.550 -0.001 0.000 0.326 434 Y C 1.557 177.385 175.900 -0.119 0.000 1.164 434 Y CA -0.955 57.095 58.100 -0.083 0.000 1.234 434 Y CB 1.717 40.159 38.460 -0.030 0.000 1.219 434 Y HN -0.222 nan 8.280 nan 0.000 0.497 435 V N 2.639 122.565 119.914 0.020 0.000 2.343 435 V HA -0.209 3.911 4.120 -0.001 0.000 0.247 435 V C 0.451 176.417 176.094 -0.213 0.000 1.051 435 V CA 1.654 63.852 62.300 -0.170 0.000 1.036 435 V CB -0.427 31.208 31.823 -0.313 0.000 0.654 435 V HN 0.641 nan 8.190 nan 0.000 0.451 436 H N 2.052 121.154 119.070 0.053 0.000 2.594 436 H HA 0.463 5.019 4.556 -0.001 0.000 0.304 436 H C -0.129 175.222 175.328 0.038 0.000 1.068 436 H CA -0.507 55.556 56.048 0.024 0.000 1.308 436 H CB 0.494 30.256 29.762 -0.001 0.000 1.409 436 H HN 0.224 nan 8.280 nan 0.000 0.460 437 R N 3.625 124.211 120.500 0.143 0.000 2.220 437 R HA 0.145 4.484 4.340 -0.001 0.000 0.340 437 R C -0.089 176.249 176.300 0.063 0.000 1.076 437 R CA -0.391 55.757 56.100 0.080 0.000 0.920 437 R CB -0.328 29.991 30.300 0.032 0.000 1.062 437 R HN 0.801 nan 8.270 nan 0.000 0.469 438 N N -0.544 118.193 118.700 0.062 0.000 2.972 438 N HA 0.220 4.959 4.740 -0.001 0.000 0.262 438 N C 0.272 175.805 175.510 0.038 0.000 1.478 438 N CA -0.898 52.172 53.050 0.032 0.000 0.841 438 N CB 1.090 39.585 38.487 0.012 0.000 1.512 438 N HN -0.036 nan 8.380 nan 0.000 0.548 439 K N -0.443 119.968 120.400 0.019 0.000 2.063 439 K HA -0.235 4.085 4.320 -0.001 0.000 0.208 439 K C 1.537 178.157 176.600 0.033 0.000 1.048 439 K CA 1.614 57.913 56.287 0.021 0.000 0.928 439 K CB -0.132 32.368 32.500 -0.000 0.000 0.713 439 K HN 0.694 nan 8.250 nan 0.000 0.442 440 Q N 0.924 120.736 119.800 0.020 0.000 2.030 440 Q HA -0.200 4.140 4.340 -0.001 0.000 0.204 440 Q C 1.639 177.664 176.000 0.042 0.000 0.986 440 Q CA 1.696 57.509 55.803 0.016 0.000 0.843 440 Q CB 0.026 28.759 28.738 -0.008 0.000 0.904 440 Q HN 0.218 nan 8.270 nan 0.000 0.420 441 N N 0.716 119.446 118.700 0.051 0.000 2.216 441 N HA -0.107 4.633 4.740 -0.001 0.000 0.183 441 N C 1.234 176.911 175.510 0.277 0.000 1.017 441 N CA 1.392 54.496 53.050 0.090 0.000 0.861 441 N CB -0.300 38.228 38.487 0.069 0.000 0.986 441 N HN 0.320 nan 8.380 nan 0.000 0.428 442 D N 0.716 121.241 120.400 0.209 0.000 2.117 442 D HA -0.152 4.487 4.640 -0.001 0.000 0.197 442 D C 1.862 178.320 176.300 0.264 0.000 0.987 442 D CA 1.045 55.189 54.000 0.240 0.000 0.829 442 D CB -0.166 40.716 40.800 0.135 0.000 0.961 442 D HN 0.154 nan 8.370 nan 0.000 0.460 443 K N 1.014 121.513 120.400 0.166 0.000 2.032 443 K HA -0.091 4.228 4.320 -0.001 0.000 0.209 443 K C 2.082 178.779 176.600 0.161 0.000 1.048 443 K CA 0.863 57.226 56.287 0.127 0.000 0.927 443 K CB -0.724 31.814 32.500 0.065 0.000 0.712 443 K HN 0.152 nan 8.250 nan 0.000 0.441 444 L N -0.240 121.103 121.223 0.200 0.000 2.017 444 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 444 L C 2.256 179.328 176.870 0.337 0.000 1.073 444 L CA 1.688 56.669 54.840 0.235 0.000 0.745 444 L CB -0.432 41.754 42.059 0.211 0.000 0.894 444 L HN 0.289 nan 8.230 nan 0.000 0.432 445 F N 0.945 121.094 119.950 0.331 0.000 2.095 445 F HA -0.268 4.259 4.527 -0.000 0.000 0.298 445 F C 2.646 178.566 175.800 0.200 0.000 1.104 445 F CA 1.679 59.797 58.000 0.197 0.000 1.232 445 F CB -0.309 38.718 39.000 0.045 0.000 0.987 445 F HN -0.053 nan 8.300 nan 0.000 0.475 446 R N 0.103 120.609 120.500 0.010 0.000 2.092 446 R HA -0.140 4.200 4.340 -0.001 0.000 0.231 446 R C 1.824 178.180 176.300 0.093 0.000 1.119 446 R CA 1.487 57.590 56.100 0.005 0.000 0.970 446 R CB -0.629 29.759 30.300 0.147 0.000 0.864 446 R HN 0.329 nan 8.270 nan 0.000 0.440 447 D N 0.683 121.142 120.400 0.098 0.000 2.117 447 D HA -0.129 4.511 4.640 -0.001 0.000 0.198 447 D C 1.716 178.103 176.300 0.145 0.000 0.982 447 D CA 1.167 55.243 54.000 0.127 0.000 0.828 447 D CB -0.113 40.747 40.800 0.099 0.000 0.967 447 D HN 0.309 nan 8.370 nan 0.000 0.464 448 E N -0.430 119.829 120.200 0.098 0.000 2.077 448 E HA -0.178 4.172 4.350 -0.001 0.000 0.193 448 E C 1.851 178.489 176.600 0.062 0.000 0.989 448 E CA 0.676 57.124 56.400 0.081 0.000 0.800 448 E CB -0.141 29.617 29.700 0.097 0.000 0.746 448 E HN 0.319 nan 8.360 nan 0.000 0.452 449 W N 1.165 122.304 121.300 -0.269 0.000 2.388 449 W HA -0.166 4.494 4.660 -0.000 0.000 0.294 449 W C 1.927 178.406 176.519 -0.067 0.000 1.212 449 W CA 1.008 58.194 57.345 -0.263 0.000 1.271 449 W CB -0.480 28.668 29.460 -0.520 0.000 1.126 449 W HN 0.229 nan 8.180 nan 0.000 0.535 450 W N 1.827 123.034 121.300 -0.156 0.000 2.338 450 W HA -0.265 4.395 4.660 -0.000 0.000 0.304 450 W C 1.746 178.153 176.519 -0.187 0.000 1.212 450 W CA 2.156 59.356 57.345 -0.241 0.000 1.264 450 W CB -0.446 28.942 29.460 -0.120 0.000 1.142 450 W HN -0.085 nan 8.180 nan 0.000 0.512 451 K N 0.073 120.393 120.400 -0.134 0.000 2.103 451 K HA -0.191 4.129 4.320 -0.001 0.000 0.207 451 K C 1.848 178.292 176.600 -0.259 0.000 1.048 451 K CA 1.862 58.039 56.287 -0.185 0.000 0.930 451 K CB -0.633 31.856 32.500 -0.017 0.000 0.716 451 K HN 0.037 nan 8.250 nan 0.000 0.444 452 V N 2.058 121.837 119.914 -0.226 0.000 2.295 452 V HA -0.228 3.892 4.120 -0.001 0.000 0.246 452 V C 2.141 178.028 176.094 -0.346 0.000 1.049 452 V CA 2.061 64.232 62.300 -0.214 0.000 1.024 452 V CB -0.460 31.305 31.823 -0.096 0.000 0.648 452 V HN 0.410 nan 8.190 nan 0.000 0.447 453 I N -1.106 119.112 120.570 -0.586 0.000 3.783 453 I HA 0.069 4.239 4.170 -0.001 0.000 0.310 453 I C 2.175 177.917 176.117 -0.626 0.000 1.274 453 I CA 0.548 61.486 61.300 -0.603 0.000 1.294 453 I CB -0.474 37.018 38.000 -0.847 0.000 1.051 453 I HN 0.278 nan 8.210 nan 0.000 0.435 454 K N 1.959 121.828 120.400 -0.886 0.000 2.147 454 K HA -0.152 4.168 4.320 -0.001 0.000 0.205 454 K C 1.966 178.400 176.600 -0.277 0.000 1.049 454 K CA 1.127 56.833 56.287 -0.968 0.000 0.936 454 K CB -0.324 31.385 32.500 -1.319 0.000 0.722 454 K HN 0.329 nan 8.250 nan 0.000 0.446 455 K N 1.027 121.304 120.400 -0.204 0.000 2.025 455 K HA -0.155 4.164 4.320 -0.001 0.000 0.207 455 K C 1.514 178.114 176.600 -0.001 0.000 1.049 455 K CA 1.936 58.198 56.287 -0.041 0.000 0.933 455 K CB -0.091 32.375 32.500 -0.056 0.000 0.714 455 K HN 0.165 nan 8.250 nan 0.000 0.438 456 D N 0.357 120.708 120.400 -0.082 0.000 2.123 456 D HA -0.147 4.493 4.640 -0.001 0.000 0.196 456 D C 1.947 178.228 176.300 -0.032 0.000 0.992 456 D CA 0.936 54.892 54.000 -0.073 0.000 0.833 456 D CB -0.223 40.511 40.800 -0.110 0.000 0.954 456 D HN -0.006 nan 8.370 nan 0.000 0.455 457 V N 0.699 120.605 119.914 -0.013 0.000 2.295 457 V HA -0.211 3.909 4.120 -0.001 0.000 0.246 457 V C 2.203 178.471 176.094 0.291 0.000 1.049 457 V CA 1.514 63.901 62.300 0.145 0.000 1.024 457 V CB -0.582 31.359 31.823 0.197 0.000 0.648 457 V HN 0.423 nan 8.190 nan 0.000 0.447 458 W N 1.122 122.506 121.300 0.139 0.000 2.358 458 W HA -0.193 4.467 4.660 -0.001 0.000 0.303 458 W C 2.328 178.823 176.519 -0.041 0.000 1.208 458 W CA 1.797 59.081 57.345 -0.102 0.000 1.274 458 W CB -0.320 28.959 29.460 -0.302 0.000 1.138 458 W HN 0.345 nan 8.180 nan 0.000 0.515 459 N N 1.052 119.692 118.700 -0.100 0.000 2.084 459 N HA -0.197 4.543 4.740 -0.001 0.000 0.190 459 N C 1.892 177.297 175.510 -0.175 0.000 1.030 459 N CA 2.784 55.744 53.050 -0.149 0.000 0.849 459 N CB -1.110 37.353 38.487 -0.039 0.000 1.012 459 N HN 0.284 nan 8.380 nan 0.000 0.423 460 V N -0.572 119.254 119.914 -0.146 0.000 2.453 460 V HA -0.003 4.116 4.120 -0.001 0.000 0.247 460 V C 2.073 178.100 176.094 -0.113 0.000 1.048 460 V CA 1.139 63.351 62.300 -0.147 0.000 1.049 460 V CB -0.680 31.055 31.823 -0.146 0.000 0.672 460 V HN 0.179 nan 8.190 nan 0.000 0.457 461 I N 1.774 122.261 120.570 -0.138 0.000 2.546 461 I HA -0.120 4.050 4.170 -0.001 0.000 0.255 461 I C 2.231 178.193 176.117 -0.258 0.000 1.163 461 I CA 1.515 62.738 61.300 -0.129 0.000 1.457 461 I CB 0.082 38.095 38.000 0.020 0.000 1.092 461 I HN 0.613 nan 8.210 nan 0.000 0.434 462 S N -1.819 113.610 115.700 -0.452 0.000 2.556 462 S HA -0.065 4.405 4.470 -0.001 0.000 0.216 462 S C 1.264 175.817 174.600 -0.079 0.000 0.970 462 S CA -0.627 57.352 58.200 -0.368 0.000 0.912 462 S CB -0.611 62.090 63.200 -0.832 0.000 0.790 462 S HN 0.609 nan 8.310 nan 0.000 0.504 463 W N 3.094 124.240 121.300 -0.255 0.000 2.595 463 W HA 0.028 4.687 4.660 -0.001 0.000 0.257 463 W C 1.914 178.317 176.519 -0.194 0.000 1.267 463 W CA 0.743 57.982 57.345 -0.177 0.000 1.300 463 W CB -0.136 29.227 29.460 -0.162 0.000 1.120 463 W HN 0.285 nan 8.180 nan 0.000 0.618 464 V N -1.994 117.776 119.914 -0.239 0.000 2.688 464 V HA -0.135 3.984 4.120 -0.001 0.000 0.256 464 V C 0.653 176.425 176.094 -0.537 0.000 1.084 464 V CA 0.858 62.894 62.300 -0.440 0.000 1.103 464 V CB -1.556 29.925 31.823 -0.570 0.000 0.688 464 V HN -0.079 nan 8.190 nan 0.000 0.480 465 F N 2.066 121.908 119.950 -0.180 0.000 2.411 465 F HA 0.491 5.018 4.527 -0.000 0.000 0.350 465 F C 1.415 177.074 175.800 -0.234 0.000 1.114 465 F CA -1.119 56.783 58.000 -0.163 0.000 1.135 465 F CB 1.413 40.350 39.000 -0.106 0.000 1.120 465 F HN 0.020 nan 8.300 nan 0.000 0.495 466 K N -0.339 120.032 120.400 -0.048 0.000 2.211 466 K HA -0.162 4.158 4.320 -0.001 0.000 0.204 466 K C 0.062 176.607 176.600 -0.091 0.000 1.047 466 K CA 1.464 57.665 56.287 -0.144 0.000 0.935 466 K CB -0.066 32.370 32.500 -0.106 0.000 0.728 466 K HN 0.362 nan 8.250 nan 0.000 0.452 467 D N 0.776 121.169 120.400 -0.012 0.000 2.414 467 D HA 0.143 4.782 4.640 -0.001 0.000 0.232 467 D C 0.060 176.369 176.300 0.015 0.000 1.070 467 D CA -0.508 53.487 54.000 -0.008 0.000 0.839 467 D CB 1.424 42.217 40.800 -0.012 0.000 1.079 467 D HN 0.145 nan 8.370 nan 0.000 0.521 468 K N 1.832 122.246 120.400 0.023 0.000 2.362 468 K HA -0.136 4.184 4.320 -0.001 0.000 0.202 468 K C 1.288 177.928 176.600 0.065 0.000 1.045 468 K CA 1.134 57.458 56.287 0.061 0.000 0.936 468 K CB 0.312 32.857 32.500 0.075 0.000 0.747 468 K HN 0.279 nan 8.250 nan 0.000 0.467 469 T N -0.614 113.956 114.554 0.027 0.000 3.057 469 T HA 0.047 4.397 4.350 -0.001 0.000 0.254 469 T C 1.394 176.080 174.700 -0.024 0.000 1.094 469 T CA 0.264 62.373 62.100 0.014 0.000 1.088 469 T CB 0.212 69.083 68.868 0.004 0.000 0.934 469 T HN -0.008 nan 8.240 nan 0.000 0.497 470 V N 0.248 120.121 119.914 -0.068 0.000 2.392 470 V HA -0.035 4.085 4.120 -0.001 0.000 0.249 470 V C 1.340 177.299 176.094 -0.226 0.000 1.059 470 V CA 0.881 63.078 62.300 -0.173 0.000 1.051 470 V CB -0.169 31.492 31.823 -0.269 0.000 0.658 470 V HN 0.541 nan 8.190 nan 0.000 0.455 471 c N 1.225 119.732 118.600 -0.156 0.000 2.381 471 c HA 0.532 5.101 4.570 -0.001 0.000 0.328 471 c C -0.323 173.947 174.090 0.299 0.000 1.190 471 c CA -1.198 55.118 56.329 -0.021 0.000 1.369 471 c CB 0.063 42.476 42.510 -0.162 0.000 2.029 471 c HN 0.439 nan 8.230 nan 0.000 0.448 472 K N 3.894 124.422 120.400 0.214 0.000 2.324 472 K HA 0.267 4.587 4.320 -0.001 0.000 0.253 472 K C 0.705 177.107 176.600 -0.332 0.000 0.932 472 K CA -0.499 55.839 56.287 0.086 0.000 0.799 472 K CB 1.929 34.421 32.500 -0.013 0.000 1.154 472 K HN 0.684 nan 8.250 nan 0.000 0.425 473 E N 2.126 121.752 120.200 -0.957 0.000 2.153 473 E HA -0.228 4.122 4.350 -0.001 0.000 0.194 473 E C 0.628 176.857 176.600 -0.618 0.000 0.988 473 E CA 1.676 57.188 56.400 -1.480 0.000 0.811 473 E CB 0.263 28.920 29.700 -1.739 0.000 0.746 473 E HN 0.679 nan 8.360 nan 0.000 0.466 474 D N 0.321 120.498 120.400 -0.371 0.000 2.264 474 D HA -0.123 4.516 4.640 -0.001 0.000 0.208 474 D C 0.888 177.111 176.300 -0.130 0.000 0.966 474 D CA 0.855 54.739 54.000 -0.193 0.000 0.864 474 D CB 0.027 40.752 40.800 -0.126 0.000 0.933 474 D HN 0.105 nan 8.370 nan 0.000 0.499 475 D N -0.504 119.813 120.400 -0.138 0.000 2.363 475 D HA 0.036 4.676 4.640 -0.001 0.000 0.220 475 D C 0.250 176.524 176.300 -0.044 0.000 0.994 475 D CA 0.170 54.129 54.000 -0.068 0.000 0.890 475 D CB 0.071 40.843 40.800 -0.047 0.000 0.906 475 D HN 0.351 nan 8.370 nan 0.000 0.530 476 I N 1.911 122.433 120.570 -0.080 0.000 2.379 476 I HA 0.027 4.196 4.170 -0.001 0.000 0.290 476 I C 0.917 177.046 176.117 0.020 0.000 1.063 476 I CA -0.194 61.101 61.300 -0.009 0.000 1.351 476 I CB 0.666 38.666 38.000 -0.001 0.000 1.410 476 I HN -0.246 nan 8.210 nan 0.000 0.505 477 E N 4.471 124.700 120.200 0.048 0.000 2.371 477 E HA 0.051 4.401 4.350 -0.001 0.000 0.257 477 E C -0.075 176.551 176.600 0.042 0.000 1.134 477 E CA -0.503 55.930 56.400 0.055 0.000 0.919 477 E CB 0.614 30.362 29.700 0.080 0.000 1.025 477 E HN 0.366 nan 8.360 nan 0.000 0.438 478 N N 2.177 120.900 118.700 0.038 0.000 2.868 478 N HA 0.172 4.911 4.740 -0.001 0.000 0.252 478 N C -1.480 173.983 175.510 -0.079 0.000 1.130 478 N CA 0.006 53.060 53.050 0.006 0.000 1.026 478 N CB -0.316 38.191 38.487 0.034 0.000 1.335 478 N HN 0.341 nan 8.380 nan 0.000 0.516 479 I N 3.030 123.500 120.570 -0.167 0.000 2.433 479 I HA 0.401 4.571 4.170 -0.001 0.000 0.292 479 I C -2.034 173.859 176.117 -0.373 0.000 1.001 479 I CA -2.366 58.666 61.300 -0.445 0.000 1.119 479 I CB 2.121 39.945 38.000 -0.293 0.000 1.289 479 I HN 0.224 nan 8.210 nan 0.000 0.438 480 P HA 0.045 nan 4.420 nan 0.000 0.271 480 P C 0.317 177.447 177.300 -0.284 0.000 1.218 480 P CA -0.246 62.649 63.100 -0.341 0.000 0.780 480 P CB 0.707 32.088 31.700 -0.532 0.000 0.901 481 Q N 1.835 121.465 119.800 -0.282 0.000 2.112 481 Q HA -0.241 4.099 4.340 -0.001 0.000 0.206 481 Q C 1.559 177.238 176.000 -0.534 0.000 0.987 481 Q CA 1.651 57.202 55.803 -0.420 0.000 0.858 481 Q CB -0.444 27.992 28.738 -0.502 0.000 0.905 481 Q HN 0.494 nan 8.270 nan 0.000 0.420 482 F N 0.089 119.683 119.950 -0.594 0.000 2.095 482 F HA -0.229 4.298 4.527 -0.001 0.000 0.298 482 F C 1.337 176.828 175.800 -0.516 0.000 1.104 482 F CA 1.591 59.156 58.000 -0.724 0.000 1.232 482 F CB -0.384 38.028 39.000 -0.980 0.000 0.987 482 F HN 0.087 nan 8.300 nan 0.000 0.475 483 F N 0.520 120.249 119.950 -0.368 0.000 2.259 483 F HA -0.005 4.522 4.527 -0.000 0.000 0.298 483 F C 2.465 178.265 175.800 0.000 0.000 1.088 483 F CA 1.143 58.992 58.000 -0.252 0.000 1.358 483 F CB -0.839 37.987 39.000 -0.289 0.000 1.040 483 F HN -0.182 nan 8.300 nan 0.000 0.505 484 R N -0.716 119.856 120.500 0.120 0.000 2.083 484 R HA -0.202 4.137 4.340 -0.001 0.000 0.237 484 R C 2.025 178.560 176.300 0.392 0.000 1.137 484 R CA 1.783 58.018 56.100 0.225 0.000 0.951 484 R CB -0.815 29.587 30.300 0.169 0.000 0.851 484 R HN 0.287 nan 8.270 nan 0.000 0.434 485 W N 0.126 121.464 121.300 0.063 0.000 2.388 485 W HA -0.118 4.542 4.660 -0.001 0.000 0.294 485 W C 2.052 178.712 176.519 0.236 0.000 1.212 485 W CA -0.015 57.427 57.345 0.162 0.000 1.271 485 W CB -0.958 28.545 29.460 0.072 0.000 1.126 485 W HN 0.010 nan 8.180 nan 0.000 0.535 486 F N 1.924 121.882 119.950 0.014 0.000 2.146 486 F HA -0.203 4.324 4.527 -0.001 0.000 0.298 486 F C 2.645 178.556 175.800 0.186 0.000 1.096 486 F CA 1.945 59.883 58.000 -0.103 0.000 1.275 486 F CB -1.004 37.719 39.000 -0.463 0.000 1.008 486 F HN -0.116 nan 8.300 nan 0.000 0.480 487 S N -0.792 115.050 115.700 0.236 0.000 2.402 487 S HA -0.207 4.263 4.470 -0.001 0.000 0.229 487 S C 2.026 176.749 174.600 0.204 0.000 1.021 487 S CA 1.138 59.447 58.200 0.182 0.000 0.974 487 S CB -0.811 62.571 63.200 0.302 0.000 0.800 487 S HN 0.650 nan 8.310 nan 0.000 0.484 488 E N 0.027 120.408 120.200 0.302 0.000 2.106 488 E HA -0.149 4.201 4.350 -0.001 0.000 0.192 488 E C 1.713 178.525 176.600 0.353 0.000 0.984 488 E CA 0.968 57.566 56.400 0.330 0.000 0.806 488 E CB -0.304 29.631 29.700 0.392 0.000 0.750 488 E HN 0.783 nan 8.360 nan 0.000 0.458 489 W N 1.040 122.393 121.300 0.088 0.000 2.335 489 W HA -0.124 4.535 4.660 -0.001 0.000 0.311 489 W C 2.033 178.421 176.519 -0.218 0.000 1.213 489 W CA 2.337 59.427 57.345 -0.425 0.000 1.274 489 W CB -0.686 28.320 29.460 -0.756 0.000 1.148 489 W HN 0.132 nan 8.180 nan 0.000 0.498 490 G N 0.293 109.127 108.800 0.057 0.000 2.480 490 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.216 490 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.216 490 G C 1.209 176.140 174.900 0.052 0.000 1.200 490 G CA 1.486 46.575 45.100 -0.018 0.000 0.782 490 G HN 0.223 nan 8.290 nan 0.000 0.554 491 D N 1.065 121.510 120.400 0.076 0.000 2.106 491 D HA -0.108 4.531 4.640 -0.001 0.000 0.191 491 D C 2.150 178.479 176.300 0.049 0.000 0.997 491 D CA 1.365 55.414 54.000 0.082 0.000 0.834 491 D CB -0.411 40.446 40.800 0.095 0.000 0.956 491 D HN 0.172 nan 8.370 nan 0.000 0.448 492 D N -0.613 119.807 120.400 0.034 0.000 2.123 492 D HA -0.173 4.467 4.640 -0.001 0.000 0.196 492 D C 1.931 178.206 176.300 -0.042 0.000 0.992 492 D CA 0.664 54.691 54.000 0.045 0.000 0.833 492 D CB -0.550 40.370 40.800 0.200 0.000 0.954 492 D HN 0.331 nan 8.370 nan 0.000 0.455 493 Y N 0.910 120.986 120.300 -0.373 0.000 2.145 493 Y HA -0.260 4.290 4.550 -0.001 0.000 0.286 493 Y C 2.314 178.211 175.900 -0.004 0.000 1.145 493 Y CA 1.359 59.273 58.100 -0.310 0.000 1.148 493 Y CB -0.406 37.596 38.460 -0.764 0.000 0.981 493 Y HN 0.001 nan 8.280 nan 0.000 0.507 494 c N 0.532 119.171 118.600 0.066 0.000 2.446 494 c HA -0.178 4.392 4.570 -0.001 0.000 0.277 494 c C 2.611 176.659 174.090 -0.069 0.000 1.275 494 c CA 1.356 57.694 56.329 0.016 0.000 1.727 494 c CB -1.144 41.432 42.510 0.110 0.000 2.010 494 c HN 0.631 nan 8.230 nan 0.000 0.486 495 Q N 0.568 120.347 119.800 -0.036 0.000 2.079 495 Q HA -0.170 4.169 4.340 -0.001 0.000 0.200 495 Q C 1.592 177.542 176.000 -0.083 0.000 0.974 495 Q CA 1.510 57.290 55.803 -0.039 0.000 0.840 495 Q CB -0.189 28.549 28.738 0.000 0.000 0.898 495 Q HN 0.634 nan 8.270 nan 0.000 0.430 496 D N 0.315 120.657 120.400 -0.096 0.000 2.224 496 D HA -0.105 4.535 4.640 -0.001 0.000 0.205 496 D C 1.517 177.579 176.300 -0.397 0.000 0.965 496 D CA 0.798 54.689 54.000 -0.181 0.000 0.852 496 D CB -0.056 40.715 40.800 -0.050 0.000 0.947 496 D HN 0.103 nan 8.370 nan 0.000 0.494 497 K N 0.357 120.557 120.400 -0.333 0.000 2.063 497 K HA -0.139 4.181 4.320 -0.001 0.000 0.208 497 K C 1.679 178.166 176.600 -0.187 0.000 1.048 497 K CA 1.396 57.492 56.287 -0.317 0.000 0.928 497 K CB -0.019 32.327 32.500 -0.257 0.000 0.713 497 K HN 0.039 nan 8.250 nan 0.000 0.442 498 T N 1.375 115.844 114.554 -0.141 0.000 2.652 498 T HA -0.143 4.207 4.350 -0.001 0.000 0.267 498 T C 1.665 176.311 174.700 -0.091 0.000 1.039 498 T CA 1.711 63.760 62.100 -0.084 0.000 1.153 498 T CB -0.119 68.708 68.868 -0.067 0.000 0.863 498 T HN 0.351 nan 8.240 nan 0.000 0.428 499 K N 0.637 120.957 120.400 -0.134 0.000 2.097 499 K HA 0.048 4.367 4.320 -0.001 0.000 0.206 499 K C 2.459 178.968 176.600 -0.151 0.000 1.049 499 K CA 1.020 57.229 56.287 -0.130 0.000 0.933 499 K CB -0.195 32.220 32.500 -0.141 0.000 0.717 499 K HN 0.261 nan 8.250 nan 0.000 0.442 500 M N 0.555 120.001 119.600 -0.257 0.000 2.159 500 M HA -0.138 4.342 4.480 -0.001 0.000 0.263 500 M C 2.269 178.610 176.300 0.068 0.000 1.063 500 M CA 1.532 56.702 55.300 -0.216 0.000 1.110 500 M CB -0.605 31.636 32.600 -0.598 0.000 1.374 500 M HN 0.163 nan 8.290 nan 0.000 0.411 501 I N -0.037 120.582 120.570 0.082 0.000 2.252 501 I HA -0.263 3.906 4.170 -0.001 0.000 0.245 501 I C 2.140 178.265 176.117 0.013 0.000 1.102 501 I CA 1.258 62.608 61.300 0.085 0.000 1.385 501 I CB -0.269 37.773 38.000 0.069 0.000 1.064 501 I HN 0.330 nan 8.210 nan 0.000 0.414 502 E N 0.114 120.308 120.200 -0.011 0.000 2.153 502 E HA -0.171 4.179 4.350 -0.001 0.000 0.194 502 E C 2.050 178.639 176.600 -0.019 0.000 0.988 502 E CA 1.662 58.050 56.400 -0.020 0.000 0.811 502 E CB -0.050 29.633 29.700 -0.029 0.000 0.746 502 E HN 0.462 nan 8.360 nan 0.000 0.466 503 T N 1.244 115.787 114.554 -0.018 0.000 2.720 503 T HA -0.144 4.206 4.350 -0.001 0.000 0.268 503 T C 1.862 176.561 174.700 -0.000 0.000 1.037 503 T CA 0.871 62.964 62.100 -0.012 0.000 1.144 503 T CB -0.142 68.719 68.868 -0.013 0.000 0.864 503 T HN 0.122 nan 8.240 nan 0.000 0.444 504 L N 0.173 121.399 121.223 0.005 0.000 2.156 504 L HA 0.000 4.340 4.340 -0.001 0.000 0.208 504 L C 2.677 179.532 176.870 -0.025 0.000 1.095 504 L CA 1.135 55.967 54.840 -0.013 0.000 0.770 504 L CB -0.388 41.641 42.059 -0.050 0.000 0.914 504 L HN 0.194 nan 8.230 nan 0.000 0.439 505 K N -0.433 119.953 120.400 -0.023 0.000 2.155 505 K HA -0.076 4.244 4.320 -0.001 0.000 0.203 505 K C 2.051 178.639 176.600 -0.020 0.000 1.052 505 K CA 0.799 57.072 56.287 -0.024 0.000 0.948 505 K CB 0.021 32.508 32.500 -0.022 0.000 0.728 505 K HN 0.109 nan 8.250 nan 0.000 0.448 506 V N 1.852 121.756 119.914 -0.017 0.000 2.229 506 V HA -0.190 3.929 4.120 -0.001 0.000 0.243 506 V C 2.043 178.129 176.094 -0.013 0.000 1.042 506 V CA 1.699 63.990 62.300 -0.014 0.000 1.000 506 V CB -0.224 31.591 31.823 -0.013 0.000 0.637 506 V HN 0.270 nan 8.190 nan 0.000 0.446 507 E N -0.985 119.209 120.200 -0.010 0.000 2.358 507 E HA -0.024 4.326 4.350 -0.001 0.000 0.195 507 E C 0.548 177.141 176.600 -0.012 0.000 1.010 507 E CA 0.465 56.861 56.400 -0.007 0.000 0.856 507 E CB 0.004 29.704 29.700 -0.000 0.000 0.795 507 E HN 0.611 nan 8.360 nan 0.000 0.504 514 E N -0.125 120.065 120.200 -0.016 0.000 3.799 514 E HA -0.228 4.122 4.350 -0.001 0.000 0.320 514 E C -0.349 176.248 176.600 -0.006 0.000 0.760 514 E CA 1.681 58.076 56.400 -0.010 0.000 1.153 514 E CB -1.423 28.272 29.700 -0.009 0.000 1.589 514 E HN 0.847 nan 8.360 nan 0.000 0.448 515 D N 1.707 122.103 120.400 -0.007 0.000 2.317 515 D HA 0.122 4.762 4.640 -0.001 0.000 0.252 515 D C -0.346 175.955 176.300 0.002 0.000 1.174 515 D CA -0.240 53.758 54.000 -0.003 0.000 0.866 515 D CB 0.642 41.438 40.800 -0.006 0.000 1.127 515 D HN -0.140 nan 8.370 nan 0.000 0.467 516 D N 3.920 124.323 120.400 0.004 0.000 2.600 516 D HA 0.049 4.689 4.640 -0.001 0.000 0.226 516 D C 0.088 176.394 176.300 0.009 0.000 1.119 516 D CA 0.207 54.212 54.000 0.008 0.000 1.051 516 D CB -0.276 40.529 40.800 0.008 0.000 1.106 516 D HN 0.394 nan 8.370 nan 0.000 0.491 517 N N 0.594 119.301 118.700 0.011 0.000 2.505 517 N HA -0.170 4.569 4.740 -0.001 0.000 0.300 517 N C 1.378 176.897 175.510 0.015 0.000 0.797 517 N CA 0.199 53.256 53.050 0.012 0.000 1.111 517 N CB -0.925 37.566 38.487 0.007 0.000 2.337 517 N HN 0.340 nan 8.380 nan 0.000 1.254 518 c N 2.951 121.557 118.600 0.009 0.000 2.413 518 c HA 0.075 4.645 4.570 -0.001 0.000 0.276 518 c C 2.339 176.442 174.090 0.022 0.000 1.248 518 c CA 1.216 57.550 56.329 0.008 0.000 1.742 518 c CB -0.828 41.678 42.510 -0.006 0.000 2.017 518 c HN 0.324 nan 8.230 nan 0.000 0.481 519 K N 0.498 120.911 120.400 0.022 0.000 2.148 519 K HA -0.064 4.255 4.320 -0.001 0.000 0.204 519 K C 2.232 178.866 176.600 0.058 0.000 1.050 519 K CA 1.168 57.477 56.287 0.036 0.000 0.942 519 K CB -0.539 31.978 32.500 0.027 0.000 0.724 519 K HN 0.625 nan 8.250 nan 0.000 0.446 520 R N 0.775 121.304 120.500 0.049 0.000 2.092 520 R HA -0.035 4.305 4.340 -0.001 0.000 0.231 520 R C 2.060 178.403 176.300 0.072 0.000 1.119 520 R CA 0.890 57.024 56.100 0.056 0.000 0.970 520 R CB 0.020 30.344 30.300 0.040 0.000 0.864 520 R HN 0.019 nan 8.270 nan 0.000 0.440 521 K N 0.125 120.566 120.400 0.068 0.000 2.217 521 K HA -0.034 4.285 4.320 -0.001 0.000 0.202 521 K C 2.049 178.739 176.600 0.150 0.000 1.051 521 K CA 0.806 57.144 56.287 0.085 0.000 0.952 521 K CB -0.275 32.259 32.500 0.057 0.000 0.736 521 K HN 0.224 nan 8.250 nan 0.000 0.453 522 c N 1.364 120.056 118.600 0.155 0.000 2.466 522 c HA 0.028 4.597 4.570 -0.001 0.000 0.278 522 c C 2.458 176.741 174.090 0.321 0.000 1.288 522 c CA 0.244 56.733 56.329 0.266 0.000 1.722 522 c CB -0.809 41.797 42.510 0.160 0.000 2.017 522 c HN 0.509 nan 8.230 nan 0.000 0.488 523 N N 1.011 119.831 118.700 0.202 0.000 2.244 523 N HA -0.089 4.651 4.740 -0.001 0.000 0.183 523 N C 1.887 177.493 175.510 0.160 0.000 1.016 523 N CA 1.176 54.330 53.050 0.172 0.000 0.866 523 N CB -0.193 38.364 38.487 0.117 0.000 0.980 523 N HN 0.432 nan 8.380 nan 0.000 0.430 524 S N 0.329 116.119 115.700 0.150 0.000 2.348 524 S HA -0.152 4.318 4.470 -0.001 0.000 0.221 524 S C 1.787 176.487 174.600 0.166 0.000 1.033 524 S CA 0.814 59.093 58.200 0.132 0.000 1.010 524 S CB -0.518 62.736 63.200 0.090 0.000 0.891 524 S HN 0.425 nan 8.310 nan 0.000 0.442 525 Y N 2.331 122.667 120.300 0.060 0.000 2.114 525 Y HA -0.254 4.296 4.550 -0.001 0.000 0.282 525 Y C 2.476 178.352 175.900 -0.040 0.000 1.165 525 Y CA 2.163 60.276 58.100 0.022 0.000 1.148 525 Y CB -0.214 38.247 38.460 0.002 0.000 0.972 525 Y HN 0.119 nan 8.280 nan 0.000 0.504 526 K N 0.285 120.758 120.400 0.121 0.000 2.044 526 K HA -0.271 4.048 4.320 -0.001 0.000 0.210 526 K C 1.865 178.485 176.600 0.034 0.000 1.049 526 K CA 2.283 58.569 56.287 -0.002 0.000 0.927 526 K CB -0.238 32.339 32.500 0.128 0.000 0.713 526 K HN 0.467 nan 8.250 nan 0.000 0.443 527 E N -0.749 119.505 120.200 0.090 0.000 2.150 527 E HA -0.199 4.150 4.350 -0.001 0.000 0.193 527 E C 1.611 178.270 176.600 0.098 0.000 0.985 527 E CA 1.109 57.560 56.400 0.085 0.000 0.814 527 E CB -0.185 29.575 29.700 0.101 0.000 0.752 527 E HN 0.455 nan 8.360 nan 0.000 0.466 528 W N 1.392 122.643 121.300 -0.081 0.000 2.355 528 W HA -0.192 4.467 4.660 -0.001 0.000 0.309 528 W C 1.729 178.202 176.519 -0.075 0.000 1.206 528 W CA 1.103 58.389 57.345 -0.098 0.000 1.284 528 W CB -0.101 29.239 29.460 -0.200 0.000 1.145 528 W HN -0.039 nan 8.180 nan 0.000 0.502 529 I N 0.147 120.661 120.570 -0.093 0.000 2.208 529 I HA -0.297 3.873 4.170 -0.001 0.000 0.245 529 I C 2.606 178.642 176.117 -0.135 0.000 1.097 529 I CA 1.993 63.194 61.300 -0.164 0.000 1.363 529 I CB -1.852 36.038 38.000 -0.184 0.000 1.051 529 I HN 0.059 nan 8.210 nan 0.000 0.413 530 S N 0.477 116.118 115.700 -0.098 0.000 2.359 530 S HA -0.267 4.203 4.470 -0.001 0.000 0.224 530 S C 2.166 176.682 174.600 -0.140 0.000 1.035 530 S CA 1.976 60.119 58.200 -0.094 0.000 1.018 530 S CB -0.157 63.021 63.200 -0.036 0.000 0.876 530 S HN 0.421 nan 8.310 nan 0.000 0.448 531 K N 0.379 120.706 120.400 -0.123 0.000 2.009 531 K HA -0.142 4.177 4.320 -0.001 0.000 0.210 531 K C 1.968 178.471 176.600 -0.162 0.000 1.049 531 K CA 1.423 57.644 56.287 -0.110 0.000 0.929 531 K CB -0.168 32.299 32.500 -0.055 0.000 0.714 531 K HN 0.119 nan 8.250 nan 0.000 0.440 532 K N 1.324 121.559 120.400 -0.275 0.000 2.097 532 K HA -0.156 4.164 4.320 -0.001 0.000 0.206 532 K C 2.000 178.427 176.600 -0.289 0.000 1.049 532 K CA 1.274 57.478 56.287 -0.139 0.000 0.933 532 K CB -0.291 32.067 32.500 -0.236 0.000 0.717 532 K HN 0.296 nan 8.250 nan 0.000 0.442 533 K N 1.565 121.539 120.400 -0.711 0.000 2.026 533 K HA -0.161 4.158 4.320 -0.001 0.000 0.208 533 K C 1.813 178.086 176.600 -0.545 0.000 1.048 533 K CA 1.509 57.080 56.287 -1.193 0.000 0.929 533 K CB 0.070 32.065 32.500 -0.841 0.000 0.713 533 K HN 0.180 nan 8.250 nan 0.000 0.439 534 E N 0.447 120.454 120.200 -0.322 0.000 2.085 534 E HA -0.211 4.138 4.350 -0.001 0.000 0.194 534 E C 2.016 178.477 176.600 -0.232 0.000 0.994 534 E CA 1.512 57.784 56.400 -0.214 0.000 0.801 534 E CB -0.018 29.601 29.700 -0.134 0.000 0.743 534 E HN 0.431 nan 8.360 nan 0.000 0.453 535 E N 0.164 120.234 120.200 -0.216 0.000 2.058 535 E HA -0.228 4.121 4.350 -0.001 0.000 0.194 535 E C 1.949 178.188 176.600 -0.601 0.000 0.997 535 E CA 1.172 57.397 56.400 -0.291 0.000 0.801 535 E CB -0.259 29.386 29.700 -0.093 0.000 0.746 535 E HN 0.270 nan 8.360 nan 0.000 0.450 536 Y N 2.276 122.121 120.300 -0.757 0.000 2.128 536 Y HA -0.259 4.291 4.550 -0.001 0.000 0.284 536 Y C 1.871 177.487 175.900 -0.474 0.000 1.154 536 Y CA 1.745 59.355 58.100 -0.817 0.000 1.149 536 Y CB -0.193 38.015 38.460 -0.420 0.000 0.976 536 Y HN -0.016 nan 8.280 nan 0.000 0.505 537 N N 0.463 118.909 118.700 -0.423 0.000 2.188 537 N HA -0.161 4.578 4.740 -0.001 0.000 0.184 537 N C 1.865 177.147 175.510 -0.380 0.000 1.018 537 N CA 1.343 54.174 53.050 -0.364 0.000 0.858 537 N CB -0.413 37.963 38.487 -0.184 0.000 0.989 537 N HN 0.439 nan 8.380 nan 0.000 0.426 538 K N 1.122 121.312 120.400 -0.350 0.000 2.026 538 K HA -0.108 4.212 4.320 -0.001 0.000 0.208 538 K C 1.813 178.200 176.600 -0.356 0.000 1.048 538 K CA 1.208 57.322 56.287 -0.290 0.000 0.929 538 K CB 0.062 32.434 32.500 -0.214 0.000 0.713 538 K HN 0.206 nan 8.250 nan 0.000 0.439 539 Q N -0.366 119.137 119.800 -0.495 0.000 2.079 539 Q HA -0.093 4.246 4.340 -0.001 0.000 0.200 539 Q C 2.080 177.680 176.000 -0.667 0.000 0.974 539 Q CA 1.376 56.838 55.803 -0.568 0.000 0.840 539 Q CB -0.087 28.149 28.738 -0.836 0.000 0.898 539 Q HN 0.405 nan 8.270 nan 0.000 0.430 540 A N 1.261 123.608 122.820 -0.789 0.000 1.933 540 A HA -0.207 4.112 4.320 -0.001 0.000 0.218 540 A C 1.980 179.378 177.584 -0.309 0.000 1.175 540 A CA 1.396 53.064 52.037 -0.615 0.000 0.628 540 A CB -0.324 18.229 19.000 -0.746 0.000 0.814 540 A HN 0.151 nan 8.150 nan 0.000 0.444 541 K N -0.752 119.463 120.400 -0.309 0.000 2.057 541 K HA -0.150 4.169 4.320 -0.001 0.000 0.206 541 K C 2.329 178.762 176.600 -0.278 0.000 1.050 541 K CA 1.417 57.570 56.287 -0.223 0.000 0.935 541 K CB -0.185 32.191 32.500 -0.208 0.000 0.715 541 K HN 0.605 nan 8.250 nan 0.000 0.439 542 Q N -0.596 118.972 119.800 -0.387 0.000 2.061 542 Q HA -0.241 4.098 4.340 -0.001 0.000 0.204 542 Q C 1.947 177.441 176.000 -0.844 0.000 0.984 542 Q CA 2.016 57.393 55.803 -0.710 0.000 0.846 542 Q CB -0.235 28.060 28.738 -0.738 0.000 0.902 542 Q HN 0.420 nan 8.270 nan 0.000 0.421 543 Y N 1.210 121.201 120.300 -0.515 0.000 2.128 543 Y HA -0.327 4.223 4.550 -0.001 0.000 0.284 543 Y C 2.255 178.181 175.900 0.043 0.000 1.154 543 Y CA 1.991 60.015 58.100 -0.128 0.000 1.149 543 Y CB 0.058 38.495 38.460 -0.038 0.000 0.976 543 Y HN 0.167 nan 8.280 nan 0.000 0.505 544 Q N -0.132 119.808 119.800 0.233 0.000 2.084 544 Q HA -0.244 4.096 4.340 -0.001 0.000 0.202 544 Q C 2.316 178.334 176.000 0.031 0.000 0.978 544 Q CA 1.658 57.564 55.803 0.171 0.000 0.844 544 Q CB -0.289 28.505 28.738 0.092 0.000 0.898 544 Q HN 0.617 nan 8.270 nan 0.000 0.426 545 E N 0.253 120.369 120.200 -0.141 0.000 2.110 545 E HA -0.219 4.130 4.350 -0.001 0.000 0.193 545 E C 1.450 178.001 176.600 -0.080 0.000 0.988 545 E CA 1.087 57.377 56.400 -0.183 0.000 0.804 545 E CB -0.028 29.459 29.700 -0.356 0.000 0.745 545 E HN 0.403 nan 8.360 nan 0.000 0.458 546 Y N 1.272 121.555 120.300 -0.027 0.000 2.293 546 Y HA -0.120 4.429 4.550 -0.000 0.000 0.291 546 Y C 2.517 178.577 175.900 0.268 0.000 1.137 546 Y CA 1.107 59.252 58.100 0.074 0.000 1.202 546 Y CB -0.669 37.791 38.460 -0.000 0.000 0.990 546 Y HN 0.146 nan 8.280 nan 0.000 0.537 547 Q N 0.217 120.261 119.800 0.407 0.000 2.020 547 Q HA -0.203 4.137 4.340 -0.001 0.000 0.202 547 Q C 2.098 178.160 176.000 0.104 0.000 0.982 547 Q CA 1.687 57.610 55.803 0.201 0.000 0.838 547 Q CB -0.197 28.613 28.738 0.120 0.000 0.899 547 Q HN 0.397 nan 8.270 nan 0.000 0.423 548 K N -0.321 120.131 120.400 0.086 0.000 2.148 548 K HA -0.076 4.243 4.320 -0.001 0.000 0.204 548 K C 1.817 178.443 176.600 0.043 0.000 1.050 548 K CA 1.143 57.457 56.287 0.044 0.000 0.942 548 K CB -0.093 32.421 32.500 0.024 0.000 0.724 548 K HN 0.245 nan 8.250 nan 0.000 0.446 549 G N 0.391 109.232 108.800 0.068 0.000 2.985 549 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.209 549 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.209 549 G C 0.011 174.946 174.900 0.058 0.000 1.165 549 G CA -0.154 44.978 45.100 0.055 0.000 0.776 549 G HN 0.363 nan 8.290 nan 0.000 0.541 550 N N -0.035 118.715 118.700 0.084 0.000 2.705 550 N HA -0.182 4.557 4.740 -0.001 0.000 0.255 550 N C -0.469 175.091 175.510 0.083 0.000 1.008 550 N CA 0.611 53.709 53.050 0.079 0.000 0.742 550 N CB -1.386 37.119 38.487 0.029 0.000 0.906 550 N HN 0.413 nan 8.380 nan 0.000 0.541 551 N N 0.468 119.248 118.700 0.134 0.000 2.463 551 N HA 0.383 5.122 4.740 -0.001 0.000 0.270 551 N C -0.443 175.134 175.510 0.112 0.000 1.205 551 N CA -0.076 52.941 53.050 -0.055 0.000 0.974 551 N CB 0.144 38.480 38.487 -0.252 0.000 1.197 551 N HN 0.239 nan 8.380 nan 0.000 0.504 552 Y N -1.444 118.890 120.300 0.057 0.000 3.001 552 Y HA -0.256 4.294 4.550 -0.001 0.000 0.187 552 Y C 0.865 176.897 175.900 0.220 0.000 1.462 552 Y CA 0.134 58.298 58.100 0.107 0.000 0.936 552 Y CB -1.945 36.564 38.460 0.081 0.000 1.337 552 Y HN 0.568 nan 8.280 nan 0.000 0.428 553 K N -0.152 120.372 120.400 0.207 0.000 2.155 553 K HA -0.075 4.245 4.320 -0.001 0.000 0.203 553 K C 1.581 178.268 176.600 0.145 0.000 1.052 553 K CA 1.735 58.110 56.287 0.147 0.000 0.948 553 K CB -0.121 32.419 32.500 0.067 0.000 0.728 553 K HN 0.543 nan 8.250 nan 0.000 0.448 554 M N -0.251 119.448 119.600 0.165 0.000 2.557 554 M HA -0.066 4.413 4.480 -0.001 0.000 0.259 554 M C 0.134 176.562 176.300 0.215 0.000 1.086 554 M CA 0.711 56.100 55.300 0.149 0.000 1.096 554 M CB 0.157 32.833 32.600 0.128 0.000 1.424 554 M HN 0.018 nan 8.290 nan 0.000 0.488 555 Y N 1.024 121.388 120.300 0.107 0.000 2.595 555 Y HA 0.241 4.791 4.550 -0.001 0.000 0.336 555 Y C 1.191 177.155 175.900 0.106 0.000 0.996 555 Y CA -1.494 56.645 58.100 0.065 0.000 1.260 555 Y CB 0.366 38.797 38.460 -0.049 0.000 1.108 555 Y HN 0.134 nan 8.280 nan 0.000 0.509 556 S N 1.248 116.835 115.700 -0.189 0.000 2.470 556 S HA -0.084 4.385 4.470 -0.001 0.000 0.225 556 S C 1.319 175.716 174.600 -0.339 0.000 1.006 556 S CA 0.755 58.827 58.200 -0.213 0.000 0.934 556 S CB 0.008 63.143 63.200 -0.108 0.000 0.778 556 S HN 0.637 nan 8.310 nan 0.000 0.517 557 E N 1.517 121.344 120.200 -0.621 0.000 2.204 557 E HA -0.042 4.308 4.350 -0.001 0.000 0.195 557 E C 1.446 177.990 176.600 -0.093 0.000 0.990 557 E CA 1.351 57.511 56.400 -0.401 0.000 0.821 557 E CB -0.458 28.892 29.700 -0.585 0.000 0.750 557 E HN 0.946 nan 8.360 nan 0.000 0.477 558 F N -0.867 118.837 119.950 -0.410 0.000 2.746 558 F HA 0.339 4.866 4.527 -0.001 0.000 0.297 558 F C 1.404 177.186 175.800 -0.030 0.000 1.113 558 F CA -0.205 57.731 58.000 -0.106 0.000 1.367 558 F CB 0.204 38.861 39.000 -0.572 0.000 1.111 558 F HN -0.225 nan 8.300 nan 0.000 0.590 559 K N 0.603 120.497 120.400 -0.842 0.000 2.148 559 K HA 0.006 4.325 4.320 -0.001 0.000 0.204 559 K C 1.343 177.751 176.600 -0.320 0.000 1.050 559 K CA 1.522 57.309 56.287 -0.834 0.000 0.942 559 K CB -0.176 31.974 32.500 -0.584 0.000 0.724 559 K HN 0.198 nan 8.250 nan 0.000 0.446 560 S N 0.435 116.054 115.700 -0.136 0.000 2.578 560 S HA 0.229 4.698 4.470 -0.001 0.000 0.231 560 S C 0.185 174.829 174.600 0.073 0.000 0.994 560 S CA -0.499 57.687 58.200 -0.024 0.000 0.956 560 S CB 0.032 63.218 63.200 -0.023 0.000 0.870 560 S HN 0.240 nan 8.310 nan 0.000 0.494 561 I N -1.640 119.030 120.570 0.166 0.000 2.785 561 I HA 0.589 4.758 4.170 -0.001 0.000 0.302 561 I C -0.647 175.696 176.117 0.376 0.000 1.069 561 I CA -1.227 60.226 61.300 0.255 0.000 1.045 561 I CB 1.486 39.665 38.000 0.298 0.000 1.236 561 I HN -0.316 nan 8.210 nan 0.000 0.429 562 K N 3.565 124.130 120.400 0.274 0.000 2.276 562 K HA 0.231 4.551 4.320 -0.001 0.000 0.259 562 K C -1.764 174.907 176.600 0.119 0.000 1.001 562 K CA -1.122 55.301 56.287 0.226 0.000 0.927 562 K CB 0.537 33.134 32.500 0.162 0.000 0.969 562 K HN 0.399 nan 8.250 nan 0.000 0.490 563 P HA -0.248 nan 4.420 nan 0.000 0.215 563 P C 1.019 178.409 177.300 0.149 0.000 1.153 563 P CA 1.371 64.210 63.100 -0.436 0.000 0.853 563 P CB 0.075 31.551 31.700 -0.374 0.000 0.788 564 E N -0.006 120.342 120.200 0.247 0.000 2.153 564 E HA -0.114 4.236 4.350 -0.001 0.000 0.194 564 E C 1.843 178.589 176.600 0.244 0.000 0.988 564 E CA 1.354 57.940 56.400 0.310 0.000 0.811 564 E CB -1.440 28.437 29.700 0.295 0.000 0.746 564 E HN 0.107 nan 8.360 nan 0.000 0.466 565 V N 0.623 120.667 119.914 0.216 0.000 2.379 565 V HA -0.223 3.897 4.120 -0.001 0.000 0.245 565 V C 2.297 178.533 176.094 0.236 0.000 1.044 565 V CA 1.664 64.078 62.300 0.190 0.000 1.036 565 V CB -0.940 30.989 31.823 0.177 0.000 0.664 565 V HN 0.202 nan 8.190 nan 0.000 0.453 566 Y N 0.670 121.122 120.300 0.254 0.000 2.114 566 Y HA -0.266 4.284 4.550 -0.001 0.000 0.282 566 Y C 2.241 178.328 175.900 0.311 0.000 1.165 566 Y CA 1.859 60.209 58.100 0.418 0.000 1.148 566 Y CB -0.168 38.649 38.460 0.596 0.000 0.972 566 Y HN 0.132 nan 8.280 nan 0.000 0.504 567 L N -0.075 121.297 121.223 0.249 0.000 2.093 567 L HA -0.214 4.125 4.340 -0.001 0.000 0.208 567 L C 2.544 179.475 176.870 0.103 0.000 1.085 567 L CA 1.615 56.498 54.840 0.072 0.000 0.755 567 L CB -0.553 41.433 42.059 -0.120 0.000 0.904 567 L HN 0.146 nan 8.230 nan 0.000 0.435 568 K N 0.601 121.074 120.400 0.122 0.000 2.103 568 K HA -0.256 4.063 4.320 -0.001 0.000 0.207 568 K C 2.194 178.757 176.600 -0.061 0.000 1.048 568 K CA 1.585 57.906 56.287 0.057 0.000 0.930 568 K CB 0.115 32.646 32.500 0.051 0.000 0.716 568 K HN -0.031 nan 8.250 nan 0.000 0.444 569 K N -0.590 119.708 120.400 -0.170 0.000 2.137 569 K HA -0.080 4.240 4.320 -0.001 0.000 0.202 569 K C 1.126 177.352 176.600 -0.624 0.000 1.052 569 K CA 1.430 57.445 56.287 -0.454 0.000 0.961 569 K CB 0.032 32.141 32.500 -0.652 0.000 0.741 569 K HN 0.181 nan 8.250 nan 0.000 0.452 570 Y N -0.414 119.773 120.300 -0.187 0.000 2.444 570 Y HA 0.389 4.939 4.550 -0.001 0.000 0.252 570 Y C 0.164 176.042 175.900 -0.037 0.000 1.091 570 Y CA -0.307 57.697 58.100 -0.159 0.000 1.276 570 Y CB 0.659 38.907 38.460 -0.353 0.000 1.170 570 Y HN -0.198 nan 8.280 nan 0.000 0.517 571 S N 1.666 117.420 115.700 0.090 0.000 2.485 571 S HA 0.057 4.527 4.470 -0.001 0.000 0.312 571 S C 0.913 175.554 174.600 0.068 0.000 1.102 571 S CA -0.315 57.946 58.200 0.100 0.000 1.066 571 S CB 0.388 63.657 63.200 0.114 0.000 1.102 571 S HN 0.380 nan 8.310 nan 0.000 0.519 572 E N 2.258 122.495 120.200 0.060 0.000 2.160 572 E HA -0.138 4.212 4.350 -0.001 0.000 0.195 572 E C 1.213 177.832 176.600 0.031 0.000 0.991 572 E CA 0.819 57.238 56.400 0.033 0.000 0.810 572 E CB 0.123 29.844 29.700 0.035 0.000 0.742 572 E HN 0.353 nan 8.360 nan 0.000 0.466 573 K N -0.323 120.105 120.400 0.047 0.000 2.487 573 K HA 0.053 4.373 4.320 -0.001 0.000 0.192 573 K C 0.536 177.165 176.600 0.050 0.000 1.027 573 K CA 0.251 56.562 56.287 0.040 0.000 1.054 573 K CB 0.349 32.875 32.500 0.042 0.000 0.824 573 K HN 0.164 nan 8.250 nan 0.000 0.510 574 c N 0.582 119.224 118.600 0.069 0.000 2.849 574 c HA 0.177 4.747 4.570 -0.001 0.000 0.271 574 c C 2.203 176.313 174.090 0.034 0.000 1.519 574 c CA -0.600 55.779 56.329 0.083 0.000 1.783 574 c CB -0.868 41.786 42.510 0.240 0.000 2.869 574 c HN 0.449 nan 8.230 nan 0.000 0.527 575 S N 2.436 118.139 115.700 0.005 0.000 2.383 575 S HA -0.175 4.295 4.470 -0.001 0.000 0.229 575 S C 1.547 176.127 174.600 -0.034 0.000 1.030 575 S CA 2.044 60.233 58.200 -0.017 0.000 1.002 575 S CB -0.187 62.999 63.200 -0.024 0.000 0.829 575 S HN 0.678 nan 8.310 nan 0.000 0.467 576 N N 0.465 119.137 118.700 -0.046 0.000 2.422 576 N HA 0.251 4.991 4.740 -0.001 0.000 0.181 576 N C -0.205 175.240 175.510 -0.108 0.000 1.080 576 N CA 0.110 53.120 53.050 -0.067 0.000 0.893 576 N CB -0.346 38.103 38.487 -0.063 0.000 0.973 576 N HN 0.330 nan 8.380 nan 0.000 0.456 577 L N 0.996 122.132 121.223 -0.145 0.000 2.439 577 L HA 0.203 4.543 4.340 -0.001 0.000 0.261 577 L C 0.311 177.020 176.870 -0.269 0.000 1.153 577 L CA 0.186 54.850 54.840 -0.294 0.000 0.808 577 L CB 0.560 42.304 42.059 -0.524 0.000 1.126 577 L HN 0.010 nan 8.230 nan 0.000 0.460 578 N N 2.093 120.583 118.700 -0.350 0.000 2.716 578 N HA 0.162 4.902 4.740 -0.001 0.000 0.253 578 N C 0.258 175.602 175.510 -0.276 0.000 1.170 578 N CA -0.207 52.718 53.050 -0.209 0.000 0.807 578 N CB 0.771 39.181 38.487 -0.128 0.000 1.183 578 N HN 0.460 nan 8.380 nan 0.000 0.524 579 F N 1.573 121.416 119.950 -0.179 0.000 2.408 579 F HA -0.130 4.397 4.527 -0.001 0.000 0.300 579 F C 2.552 178.180 175.800 -0.286 0.000 1.090 579 F CA 0.884 58.667 58.000 -0.362 0.000 1.427 579 F CB 0.257 38.989 39.000 -0.446 0.000 1.070 579 F HN 0.444 nan 8.300 nan 0.000 0.549 580 E N -0.254 119.980 120.200 0.056 0.000 2.338 580 E HA -0.189 4.161 4.350 -0.001 0.000 0.197 580 E C 0.503 177.126 176.600 0.038 0.000 1.007 580 E CA 1.472 57.928 56.400 0.093 0.000 0.849 580 E CB -0.353 29.410 29.700 0.106 0.000 0.774 580 E HN 0.365 nan 8.360 nan 0.000 0.506 581 D N 0.282 120.648 120.400 -0.057 0.000 2.474 581 D HA -0.014 4.626 4.640 -0.001 0.000 0.213 581 D C 1.372 177.579 176.300 -0.156 0.000 1.120 581 D CA 0.102 54.060 54.000 -0.069 0.000 0.836 581 D CB 0.261 41.010 40.800 -0.085 0.000 1.019 581 D HN 0.123 nan 8.370 nan 0.000 0.507 582 E N 0.032 120.019 120.200 -0.355 0.000 2.268 582 E HA -0.083 4.267 4.350 -0.001 0.000 0.195 582 E C 0.571 176.824 176.600 -0.579 0.000 0.995 582 E CA 0.807 56.824 56.400 -0.639 0.000 0.836 582 E CB -0.183 28.872 29.700 -1.076 0.000 0.763 582 E HN 0.157 nan 8.360 nan 0.000 0.491 583 F N 0.334 120.338 119.950 0.089 0.000 2.639 583 F HA 0.329 4.856 4.527 -0.001 0.000 0.300 583 F C 0.251 176.139 175.800 0.148 0.000 1.109 583 F CA -0.258 57.834 58.000 0.153 0.000 1.335 583 F CB 0.168 39.208 39.000 0.066 0.000 1.014 583 F HN -0.285 nan 8.300 nan 0.000 0.537 584 K N 1.049 121.579 120.400 0.216 0.000 2.144 584 K HA 0.127 4.447 4.320 -0.001 0.000 0.270 584 K C 1.275 178.026 176.600 0.252 0.000 1.005 584 K CA -0.310 56.088 56.287 0.185 0.000 0.932 584 K CB 1.025 33.588 32.500 0.105 0.000 1.021 584 K HN 0.278 nan 8.250 nan 0.000 0.462 585 E N 1.452 121.789 120.200 0.228 0.000 2.265 585 E HA -0.236 4.114 4.350 -0.001 0.000 0.196 585 E C 0.513 177.248 176.600 0.225 0.000 0.996 585 E CA 1.324 57.889 56.400 0.274 0.000 0.832 585 E CB 0.041 29.874 29.700 0.222 0.000 0.756 585 E HN 0.526 nan 8.360 nan 0.000 0.491 586 E N 0.587 120.868 120.200 0.134 0.000 2.209 586 E HA -0.119 4.231 4.350 -0.001 0.000 0.196 586 E C 1.303 177.917 176.600 0.023 0.000 0.993 586 E CA 0.830 57.272 56.400 0.070 0.000 0.819 586 E CB -0.011 29.712 29.700 0.038 0.000 0.745 586 E HN 0.242 nan 8.360 nan 0.000 0.477 587 L N 0.441 121.653 121.223 -0.018 0.000 2.611 587 L HA 0.042 4.382 4.340 -0.001 0.000 0.229 587 L C 0.161 176.770 176.870 -0.435 0.000 1.137 587 L CA 0.589 55.295 54.840 -0.223 0.000 0.901 587 L CB 0.074 41.942 42.059 -0.318 0.000 1.098 587 L HN 0.161 nan 8.230 nan 0.000 0.456 588 H N -1.817 117.321 119.070 0.114 0.000 2.439 588 H HA 0.255 4.811 4.556 -0.001 0.000 0.230 588 H C 1.304 176.714 175.328 0.137 0.000 1.420 588 H CA 0.443 56.598 56.048 0.179 0.000 1.305 588 H CB 0.589 30.538 29.762 0.312 0.000 1.667 588 H HN 0.177 nan 8.280 nan 0.000 0.515 589 S N 0.045 115.813 115.700 0.113 0.000 2.368 589 S HA -0.161 4.308 4.470 -0.001 0.000 0.225 589 S C 1.407 176.026 174.600 0.033 0.000 1.030 589 S CA 1.038 59.275 58.200 0.063 0.000 0.999 589 S CB 0.170 63.380 63.200 0.017 0.000 0.844 589 S HN 0.340 nan 8.310 nan 0.000 0.459 590 D N 0.545 120.959 120.400 0.023 0.000 2.116 590 D HA -0.149 4.490 4.640 -0.001 0.000 0.193 590 D C 1.696 177.952 176.300 -0.073 0.000 0.998 590 D CA 1.655 55.639 54.000 -0.026 0.000 0.836 590 D CB -0.405 40.380 40.800 -0.025 0.000 0.951 590 D HN 0.587 nan 8.370 nan 0.000 0.449 591 Y N 2.113 122.276 120.300 -0.227 0.000 2.145 591 Y HA -0.196 4.354 4.550 -0.001 0.000 0.286 591 Y C 2.247 178.071 175.900 -0.126 0.000 1.145 591 Y CA 1.530 59.437 58.100 -0.322 0.000 1.148 591 Y CB -0.079 38.090 38.460 -0.485 0.000 0.981 591 Y HN -0.193 nan 8.280 nan 0.000 0.507 592 K N 0.003 120.347 120.400 -0.094 0.000 2.020 592 K HA -0.230 4.089 4.320 -0.001 0.000 0.212 592 K C 1.772 178.261 176.600 -0.185 0.000 1.050 592 K CA 1.798 58.001 56.287 -0.140 0.000 0.929 592 K CB -0.312 32.193 32.500 0.008 0.000 0.714 592 K HN 0.392 nan 8.250 nan 0.000 0.443 593 N N 0.889 119.515 118.700 -0.122 0.000 2.039 593 N HA -0.129 4.611 4.740 -0.001 0.000 0.193 593 N C 1.466 176.893 175.510 -0.137 0.000 1.044 593 N CA 1.206 54.194 53.050 -0.104 0.000 0.847 593 N CB -0.174 38.272 38.487 -0.068 0.000 1.030 593 N HN 0.076 nan 8.380 nan 0.000 0.422 594 K N -0.023 120.282 120.400 -0.158 0.000 2.486 594 K HA 0.146 4.466 4.320 -0.001 0.000 0.194 594 K C 0.995 177.478 176.600 -0.194 0.000 1.033 594 K CA 0.205 56.405 56.287 -0.146 0.000 1.004 594 K CB 0.120 32.551 32.500 -0.115 0.000 0.798 594 K HN 0.293 nan 8.250 nan 0.000 0.495 595 c N -1.456 116.945 118.600 -0.333 0.000 3.836 595 c HA 0.133 4.703 4.570 -0.001 0.000 0.470 595 c C 2.004 175.870 174.090 -0.373 0.000 1.496 595 c CA -0.189 55.899 56.329 -0.402 0.000 2.135 595 c CB 0.458 42.540 42.510 -0.712 0.000 3.162 595 c HN 0.349 nan 8.230 nan 0.000 0.666 596 T N 0.637 114.977 114.554 -0.358 0.000 3.023 596 T HA 0.140 4.489 4.350 -0.001 0.000 0.249 596 T C 1.056 175.685 174.700 -0.118 0.000 1.050 596 T CA 0.651 62.623 62.100 -0.213 0.000 1.088 596 T CB -0.073 68.684 68.868 -0.185 0.000 0.946 596 T HN 0.171 nan 8.240 nan 0.000 0.480 597 M N 1.864 121.394 119.600 -0.115 0.000 3.131 597 M HA 0.311 4.790 4.480 -0.001 0.000 0.213 597 M C -0.291 175.974 176.300 -0.058 0.000 1.307 597 M CA -0.235 55.022 55.300 -0.072 0.000 1.263 597 M CB -1.608 30.952 32.600 -0.067 0.000 1.419 597 M HN 0.201 nan 8.290 nan 0.000 0.446 598 c N 0.273 118.839 118.600 -0.056 0.000 2.563 598 c HA 0.506 5.076 4.570 -0.001 0.000 0.314 598 c C -0.839 173.235 174.090 -0.027 0.000 1.199 598 c CA -0.846 55.459 56.329 -0.040 0.000 1.564 598 c CB 1.671 44.154 42.510 -0.044 0.000 2.173 598 c HN 0.460 nan 8.230 nan 0.000 0.485 599 P HA -0.213 nan 4.420 nan 0.000 0.215 599 P C 0.731 178.026 177.300 -0.007 0.000 0.896 599 P CA 1.918 65.011 63.100 -0.011 0.000 1.030 599 P CB 0.324 32.020 31.700 -0.008 0.000 0.731 600 E N -2.981 117.217 120.200 -0.003 0.000 3.499 600 E HA 0.099 4.449 4.350 -0.001 0.000 0.277 600 E C -0.270 176.334 176.600 0.007 0.000 1.214 600 E CA 0.272 56.673 56.400 0.002 0.000 1.935 600 E CB 0.477 30.180 29.700 0.005 0.000 1.940 600 E HN 0.008 nan 8.360 nan 0.000 0.920 601 V N 0.000 119.919 119.914 0.008 0.000 2.409 601 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 601 V CA 0.000 62.307 62.300 0.012 0.000 1.235 601 V CB 0.000 31.831 31.823 0.014 0.000 1.184 601 V HN 0.000 nan 8.190 nan 0.000 0.556