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 1oe9_1_A DATA FIRST_RESID 5 DATA SEQUENCE ELYTKYARVW IPDPEEVWKS AELLKDYKPG DKVLQLRLXX XXDLEYCLXX DATA SEQUENCE XXKELPPLRN PDILVGENDL TALSYLHEPA VLHNLKVRFI DSKLIYTYCG DATA SEQUENCE IVLVAINPYE QLPIYGEDII NAYSGQNMGD MDPHIFAVAE EAYKQMARDE DATA SEQUENCE RNQSIIVSGE SGAGKTVSAK YAMRYFATVS XXXXXXNVEE KVLASNPIME DATA SEQUENCE SIGNAKTTRN DNSSRFGKYI EIGFDKRYRI IGANMRTYLL EKSRVVFQAE DATA SEQUENCE EERNYHIFYQ LCASAALPEF KTLRLGNANY FHYTKQGGSP VIDGIDDAKE DATA SEQUENCE MVNTRQACTL LGISDSYQMG IFRILAGILH LGNVEFASRD SDSCAIPPKH DATA SEQUENCE DPLTIFCDLM GVDYEEMAHW LCHRKLAXXX XTYIKPISKL HAINARDALA DATA SEQUENCE KHIYANLFNW IVDHVNKALH STVKQHSFIG VLDIYGFETF EINSFEQFCI DATA SEQUENCE NYANEKLQQQ FNMHVFKLEQ EEYMKEQIPX XXXDFYDNQP CINLIEAKMG DATA SEQUENCE VLDLLDEECK MPKGSDDTWA QKLYNTHLNK CALFEKPRLS NKAFIIKHFA DATA SEQUENCE DKVEYQCEGF LEKNKDTVYE EQIKVLKSSK KFKLLPELFX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXHKK TVGHQFRNSL HLLMETLNAT DATA SEQUENCE TPHYVRCIKP NDFKFPFTFD EKRAVQQLRA CGVLETIRIS AAGFPSRWTY DATA SEQUENCE QEFFSRYRVL MKQKDVLSDR KQTCKNVLEK LILDKDKYQF GKTKIFFRAG DATA SEQUENCE QVAYLEKIRA DKLRAACIRI QKTIRGWLMR KKYMRMRRGD A 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 5 E HA 0.000 nan 4.350 nan 0.000 0.291 5 E C 0.000 176.713 176.600 0.188 0.000 1.382 5 E CA 0.000 56.506 56.400 0.176 0.000 0.976 5 E CB 0.000 29.808 29.700 0.181 0.000 0.812 6 L N -0.338 121.003 121.223 0.197 0.000 2.354 6 L HA 0.258 4.613 4.340 0.026 0.000 0.212 6 L C 0.449 177.288 176.870 -0.051 0.000 1.091 6 L CA 0.369 55.262 54.840 0.088 0.000 0.828 6 L CB 0.146 42.218 42.059 0.023 0.000 0.973 6 L HN 0.212 nan 8.230 nan 0.000 0.461 7 Y N 1.290 121.639 120.300 0.081 0.000 2.636 7 Y HA 0.140 4.705 4.550 0.025 0.000 0.334 7 Y C 1.004 176.968 175.900 0.106 0.000 1.286 7 Y CA -0.657 57.480 58.100 0.062 0.000 1.688 7 Y CB -0.448 38.033 38.460 0.036 0.000 1.662 7 Y HN 0.012 nan 8.280 nan 0.000 0.465 8 T N -2.173 112.464 114.554 0.137 0.000 2.949 8 T HA 0.422 4.788 4.350 0.026 0.000 0.287 8 T C -0.140 174.605 174.700 0.075 0.000 1.034 8 T CA -1.367 60.801 62.100 0.113 0.000 1.018 8 T CB 1.540 70.456 68.868 0.080 0.000 1.135 8 T HN 0.286 nan 8.240 nan 0.000 0.532 9 K N 0.554 120.991 120.400 0.062 0.000 2.518 9 K HA 0.278 4.613 4.320 0.026 0.000 0.276 9 K C 1.277 177.885 176.600 0.014 0.000 0.974 9 K CA 1.692 58.001 56.287 0.036 0.000 0.986 9 K CB -0.695 31.823 32.500 0.030 0.000 0.901 9 K HN 1.117 nan 8.250 nan 0.000 0.497 10 Y N -1.401 118.897 120.300 -0.003 0.000 2.845 10 Y HA -0.317 4.248 4.550 0.026 0.000 0.477 10 Y C 0.629 176.501 175.900 -0.046 0.000 1.293 10 Y CA 0.998 59.084 58.100 -0.023 0.000 2.510 10 Y CB -2.272 36.177 38.460 -0.018 0.000 0.938 10 Y HN 0.975 nan 8.280 nan 0.000 0.515 11 A N 2.493 125.286 122.820 -0.046 0.000 2.561 11 A HA 0.511 4.846 4.320 0.026 0.000 0.234 11 A C 0.405 177.909 177.584 -0.133 0.000 1.055 11 A CA 0.752 52.735 52.037 -0.091 0.000 0.756 11 A CB 0.048 18.981 19.000 -0.111 0.000 0.986 11 A HN 1.083 nan 8.150 nan 0.000 0.505 12 R N -0.151 120.236 120.500 -0.188 0.000 2.664 12 R HA 0.637 4.992 4.340 0.026 0.000 0.286 12 R C -0.632 175.462 176.300 -0.342 0.000 0.967 12 R CA -0.500 55.443 56.100 -0.261 0.000 0.933 12 R CB 2.041 32.159 30.300 -0.304 0.000 1.146 12 R HN 0.793 nan 8.270 nan 0.000 0.468 13 V N -1.570 118.118 119.914 -0.376 0.000 3.130 13 V HA 0.675 4.811 4.120 0.026 0.000 0.310 13 V C -1.511 174.334 176.094 -0.415 0.000 1.158 13 V CA -1.270 60.829 62.300 -0.336 0.000 1.029 13 V CB 1.820 33.543 31.823 -0.166 0.000 1.057 13 V HN 0.730 nan 8.190 nan 0.000 0.436 14 W N 2.237 123.447 121.300 -0.149 0.000 2.520 14 W HA 0.853 5.529 4.660 0.027 0.000 0.323 14 W C -0.101 176.464 176.519 0.077 0.000 1.062 14 W CA -0.578 56.732 57.345 -0.058 0.000 1.215 14 W CB 1.731 31.071 29.460 -0.199 0.000 1.340 14 W HN 0.849 nan 8.180 nan 0.000 0.516 15 I N 0.686 121.491 120.570 0.392 0.000 2.892 15 I HA 0.724 4.910 4.170 0.026 0.000 0.306 15 I C -2.668 173.602 176.117 0.255 0.000 1.078 15 I CA -3.368 58.064 61.300 0.221 0.000 1.032 15 I CB 1.884 39.782 38.000 -0.170 0.000 1.229 15 I HN 0.048 nan 8.210 nan 0.000 0.435 16 P HA 0.205 nan 4.420 nan 0.000 0.268 16 P C -1.509 175.731 177.300 -0.100 0.000 1.205 16 P CA 0.336 63.271 63.100 -0.275 0.000 0.771 16 P CB 0.394 31.947 31.700 -0.245 0.000 0.858 17 D N 2.278 122.584 120.400 -0.157 0.000 2.890 17 D HA 0.272 4.928 4.640 0.026 0.000 0.233 17 D C -1.992 174.263 176.300 -0.075 0.000 1.306 17 D CA -1.966 52.006 54.000 -0.047 0.000 0.929 17 D CB 1.176 42.000 40.800 0.039 0.000 1.512 17 D HN -0.007 nan 8.370 nan 0.000 0.568 18 P HA -0.143 nan 4.420 nan 0.000 0.216 18 P C 1.074 178.367 177.300 -0.013 0.000 1.157 18 P CA 2.026 65.104 63.100 -0.038 0.000 0.880 18 P CB 0.333 32.023 31.700 -0.016 0.000 0.791 19 E N 0.122 120.333 120.200 0.018 0.000 2.042 19 E HA -0.112 4.254 4.350 0.026 0.000 0.189 19 E C 1.723 178.365 176.600 0.069 0.000 0.974 19 E CA 0.975 57.403 56.400 0.046 0.000 0.806 19 E CB -1.152 28.584 29.700 0.060 0.000 0.769 19 E HN 0.406 nan 8.360 nan 0.000 0.451 20 E N -0.195 120.056 120.200 0.084 0.000 2.463 20 E HA 0.291 4.657 4.350 0.026 0.000 0.193 20 E C 0.834 177.512 176.600 0.129 0.000 1.041 20 E CA 0.489 56.972 56.400 0.138 0.000 0.879 20 E CB 0.775 30.582 29.700 0.177 0.000 0.997 20 E HN 0.263 nan 8.360 nan 0.000 0.478 21 V N -1.463 118.457 119.914 0.010 0.000 0.456 21 V HA -0.340 3.795 4.120 0.026 0.000 0.092 21 V C 0.123 175.956 176.094 -0.436 0.000 2.503 21 V CA 2.219 64.407 62.300 -0.186 0.000 3.694 21 V CB -1.312 30.465 31.823 -0.076 0.000 0.970 21 V HN 0.375 nan 8.190 nan 0.000 1.019 22 W N -0.992 120.339 121.300 0.052 0.000 3.127 22 W HA 0.746 5.422 4.660 0.027 0.000 0.330 22 W C -0.135 176.513 176.519 0.215 0.000 1.187 22 W CA 0.191 57.591 57.345 0.092 0.000 1.198 22 W CB 1.791 31.220 29.460 -0.051 0.000 1.408 22 W HN 0.230 nan 8.180 nan 0.000 0.529 23 K N 0.714 121.454 120.400 0.567 0.000 2.464 23 K HA 0.754 5.089 4.320 0.026 0.000 0.253 23 K C -0.680 176.130 176.600 0.349 0.000 0.933 23 K CA -0.802 55.737 56.287 0.420 0.000 0.801 23 K CB 1.899 34.525 32.500 0.211 0.000 1.271 23 K HN 0.487 nan 8.250 nan 0.000 0.430 24 S N -0.325 115.416 115.700 0.069 0.000 2.603 24 S HA 0.810 5.296 4.470 0.026 0.000 0.268 24 S C -0.311 174.161 174.600 -0.213 0.000 1.317 24 S CA 0.414 58.389 58.200 -0.374 0.000 1.012 24 S CB 0.574 63.414 63.200 -0.601 0.000 0.926 24 S HN 1.821 nan 8.310 nan 0.000 0.539 25 A N 2.536 125.188 122.820 -0.279 0.000 2.577 25 A HA 0.564 4.899 4.320 0.026 0.000 0.297 25 A C -1.054 176.417 177.584 -0.187 0.000 1.060 25 A CA -0.680 51.251 52.037 -0.176 0.000 0.697 25 A CB 1.169 20.086 19.000 -0.138 0.000 1.281 25 A HN 0.765 nan 8.150 nan 0.000 0.402 26 E N 1.253 121.378 120.200 -0.125 0.000 2.202 26 E HA 0.563 4.929 4.350 0.026 0.000 0.272 26 E C -1.203 175.364 176.600 -0.055 0.000 0.951 26 E CA -0.816 55.522 56.400 -0.103 0.000 0.813 26 E CB 0.992 30.643 29.700 -0.082 0.000 1.151 26 E HN 0.526 nan 8.360 nan 0.000 0.398 27 L N 5.277 126.479 121.223 -0.035 0.000 2.536 27 L HA 0.029 4.384 4.340 0.026 0.000 0.282 27 L C 0.955 177.837 176.870 0.020 0.000 1.147 27 L CA 0.355 55.205 54.840 0.016 0.000 0.936 27 L CB 0.399 42.492 42.059 0.055 0.000 1.279 27 L HN 0.737 nan 8.230 nan 0.000 0.461 28 L N 3.489 124.725 121.223 0.022 0.000 2.450 28 L HA 0.018 4.374 4.340 0.026 0.000 0.224 28 L C 1.094 177.985 176.870 0.035 0.000 1.149 28 L CA 1.164 56.017 54.840 0.023 0.000 0.816 28 L CB -0.834 41.239 42.059 0.023 0.000 0.932 28 L HN 0.597 nan 8.230 nan 0.000 0.449 29 K N -1.068 119.364 120.400 0.053 0.000 2.551 29 K HA 0.336 4.672 4.320 0.026 0.000 0.269 29 K C -1.021 175.633 176.600 0.090 0.000 0.949 29 K CA -0.501 55.822 56.287 0.059 0.000 0.849 29 K CB 0.399 32.932 32.500 0.055 0.000 1.411 29 K HN -0.053 nan 8.250 nan 0.000 0.432 30 D N 1.223 121.672 120.400 0.081 0.000 2.458 30 D HA 0.082 4.738 4.640 0.026 0.000 0.243 30 D C -0.659 175.726 176.300 0.142 0.000 1.146 30 D CA 0.456 54.521 54.000 0.109 0.000 0.877 30 D CB 0.278 41.120 40.800 0.071 0.000 1.176 30 D HN 0.497 nan 8.370 nan 0.000 0.461 31 Y N 2.769 123.116 120.300 0.079 0.000 2.402 31 Y HA 0.310 4.874 4.550 0.024 0.000 0.333 31 Y C 0.226 176.153 175.900 0.045 0.000 1.076 31 Y CA -0.143 57.992 58.100 0.059 0.000 1.299 31 Y CB 0.104 38.601 38.460 0.062 0.000 1.197 31 Y HN 0.340 nan 8.280 nan 0.000 0.517 32 K N 6.966 126.990 120.400 -0.627 0.000 2.207 32 K HA 0.623 4.958 4.320 0.026 0.000 0.255 32 K C -3.128 172.978 176.600 -0.823 0.000 0.941 32 K CA -2.318 53.669 56.287 -0.500 0.000 0.825 32 K CB 0.465 32.811 32.500 -0.258 0.000 1.119 32 K HN 0.527 nan 8.250 nan 0.000 0.430 33 P HA 0.216 nan 4.420 nan 0.000 0.265 33 P C 0.987 178.149 177.300 -0.229 0.000 1.193 33 P CA 1.771 64.694 63.100 -0.295 0.000 0.765 33 P CB 0.971 32.608 31.700 -0.105 0.000 0.823 34 G N 1.612 110.327 108.800 -0.142 0.000 2.213 34 G HA2 -0.189 3.787 3.960 0.026 0.000 0.236 34 G HA3 -0.189 3.787 3.960 0.026 0.000 0.236 34 G C -0.024 174.831 174.900 -0.075 0.000 0.991 34 G CA -0.318 44.733 45.100 -0.081 0.000 0.629 34 G HN 0.506 nan 8.290 nan 0.000 0.517 35 D N 0.846 121.147 120.400 -0.165 0.000 2.424 35 D HA 0.543 5.199 4.640 0.026 0.000 0.244 35 D C 1.341 177.725 176.300 0.140 0.000 1.134 35 D CA 0.894 54.874 54.000 -0.033 0.000 0.881 35 D CB 1.237 41.981 40.800 -0.093 0.000 1.191 35 D HN 0.584 nan 8.370 nan 0.000 0.445 36 K N 0.905 121.362 120.400 0.094 0.000 2.361 36 K HA 0.295 4.630 4.320 0.026 0.000 0.194 36 K C 0.683 177.326 176.600 0.072 0.000 1.032 36 K CA 0.614 56.944 56.287 0.072 0.000 1.048 36 K CB -0.029 32.486 32.500 0.026 0.000 0.842 36 K HN 0.404 nan 8.250 nan 0.000 0.526 37 V N -2.714 117.267 119.914 0.111 0.000 3.078 37 V HA 0.740 4.876 4.120 0.026 0.000 0.311 37 V C -0.703 175.500 176.094 0.183 0.000 1.138 37 V CA -1.385 60.979 62.300 0.107 0.000 1.007 37 V CB 1.820 33.683 31.823 0.067 0.000 1.045 37 V HN 0.134 nan 8.190 nan 0.000 0.432 38 L N 2.404 123.744 121.223 0.194 0.000 2.309 38 L HA 0.564 4.920 4.340 0.026 0.000 0.282 38 L C -0.278 176.685 176.870 0.155 0.000 1.036 38 L CA -0.667 54.288 54.840 0.190 0.000 0.806 38 L CB 1.829 43.984 42.059 0.159 0.000 1.220 38 L HN 0.633 nan 8.230 nan 0.000 0.429 39 Q N 4.816 124.691 119.800 0.125 0.000 2.377 39 Q HA 0.507 4.863 4.340 0.026 0.000 0.249 39 Q C -0.852 175.189 176.000 0.068 0.000 1.005 39 Q CA 0.110 55.966 55.803 0.088 0.000 0.912 39 Q CB 1.339 30.120 28.738 0.073 0.000 1.223 39 Q HN 0.482 nan 8.270 nan 0.000 0.459 40 L N 1.171 122.429 121.223 0.058 0.000 2.354 40 L HA 0.792 5.148 4.340 0.026 0.000 0.269 40 L C 0.385 177.264 176.870 0.014 0.000 1.005 40 L CA -0.987 53.867 54.840 0.023 0.000 0.819 40 L CB 1.734 43.799 42.059 0.010 0.000 1.311 40 L HN 0.492 nan 8.230 nan 0.000 0.423 41 R N 2.996 123.491 120.500 -0.009 0.000 2.337 41 R HA 0.653 5.008 4.340 0.026 0.000 0.319 41 R C -0.657 175.628 176.300 -0.026 0.000 0.954 41 R CA -0.501 55.592 56.100 -0.011 0.000 0.840 41 R CB 0.405 30.696 30.300 -0.014 0.000 1.164 41 R HN 0.595 nan 8.270 nan 0.000 0.472 48 L N -1.320 119.928 121.223 0.041 0.000 2.940 48 L HA 0.569 4.924 4.340 0.026 0.000 0.247 48 L C -1.387 175.530 176.870 0.079 0.000 0.970 48 L CA -0.520 54.354 54.840 0.057 0.000 1.003 48 L CB 2.090 44.189 42.059 0.067 0.000 1.552 48 L HN 0.823 nan 8.230 nan 0.000 0.432 49 E N 3.041 123.288 120.200 0.078 0.000 2.109 49 E HA 0.322 4.688 4.350 0.026 0.000 0.278 49 E C -1.630 175.040 176.600 0.116 0.000 0.954 49 E CA -0.626 55.828 56.400 0.090 0.000 0.779 49 E CB 1.295 31.027 29.700 0.054 0.000 1.093 49 E HN 0.574 nan 8.360 nan 0.000 0.401 50 Y N 3.936 124.247 120.300 0.018 0.000 2.404 50 Y HA 0.248 4.814 4.550 0.026 0.000 0.344 50 Y C -0.785 175.118 175.900 0.006 0.000 0.970 50 Y CA -1.311 56.796 58.100 0.012 0.000 1.180 50 Y CB 0.854 39.322 38.460 0.013 0.000 1.138 50 Y HN 0.790 nan 8.280 nan 0.000 0.510 51 C N 8.823 127.868 119.300 -0.425 0.000 2.394 51 C HA 0.485 4.961 4.460 0.026 0.000 0.362 51 C C 0.275 175.005 174.990 -0.434 0.000 1.268 51 C CA -0.885 57.951 59.018 -0.303 0.000 1.828 51 C CB -1.812 25.805 27.740 -0.204 0.000 2.442 51 C HN 0.957 nan 8.230 nan 0.000 0.549 58 E N 1.541 121.723 120.200 -0.031 0.000 2.351 58 E HA 0.273 4.639 4.350 0.026 0.000 0.266 58 E C -0.242 176.318 176.600 -0.066 0.000 1.031 58 E CA -0.258 56.120 56.400 -0.037 0.000 0.911 58 E CB 0.265 29.966 29.700 0.002 0.000 0.986 58 E HN 0.503 nan 8.360 nan 0.000 0.446 59 L N 6.848 127.967 121.223 -0.174 0.000 2.436 59 L HA 0.285 4.640 4.340 0.026 0.000 0.265 59 L C -1.661 175.175 176.870 -0.056 0.000 1.168 59 L CA -1.802 52.864 54.840 -0.291 0.000 0.815 59 L CB 0.303 41.863 42.059 -0.831 0.000 1.109 59 L HN 0.546 nan 8.230 nan 0.000 0.462 60 P HA 0.220 nan 4.420 nan 0.000 0.274 60 P C -2.633 174.706 177.300 0.064 0.000 1.237 60 P CA -1.581 61.560 63.100 0.069 0.000 0.793 60 P CB -0.161 31.501 31.700 -0.063 0.000 0.977 61 P HA 0.075 nan 4.420 nan 0.000 0.265 61 P C -0.167 177.049 177.300 -0.140 0.000 1.187 61 P CA 0.482 63.439 63.100 -0.238 0.000 0.766 61 P CB 0.232 31.460 31.700 -0.788 0.000 0.820 62 L N 2.978 124.048 121.223 -0.255 0.000 2.371 62 L HA 0.328 4.683 4.340 0.026 0.000 0.272 62 L C 1.232 178.042 176.870 -0.100 0.000 1.124 62 L CA -0.345 54.209 54.840 -0.477 0.000 0.816 62 L CB 0.431 41.763 42.059 -1.211 0.000 1.129 62 L HN 0.333 nan 8.230 nan 0.000 0.448 63 R N 2.716 123.130 120.500 -0.143 0.000 2.357 63 R HA 0.190 4.546 4.340 0.026 0.000 0.296 63 R C -0.177 176.260 176.300 0.229 0.000 1.052 63 R CA -0.577 55.524 56.100 0.002 0.000 0.988 63 R CB 0.558 30.558 30.300 -0.500 0.000 1.025 63 R HN 0.607 nan 8.270 nan 0.000 0.469 64 N N 4.766 123.679 118.700 0.354 0.000 2.479 64 N HA 0.097 4.852 4.740 0.026 0.000 0.257 64 N C -2.183 173.409 175.510 0.136 0.000 1.232 64 N CA -0.717 52.491 53.050 0.265 0.000 0.920 64 N CB 0.673 39.275 38.487 0.191 0.000 1.105 64 N HN 0.532 nan 8.380 nan 0.000 0.444 65 P HA 0.063 nan 4.420 nan 0.000 0.272 65 P C 0.002 177.334 177.300 0.053 0.000 1.223 65 P CA -0.179 62.946 63.100 0.042 0.000 0.784 65 P CB 0.829 32.539 31.700 0.017 0.000 0.923 66 D N 1.175 121.598 120.400 0.039 0.000 2.182 66 D HA -0.150 4.505 4.640 0.026 0.000 0.201 66 D C 1.696 178.020 176.300 0.040 0.000 0.986 66 D CA 1.070 55.097 54.000 0.046 0.000 0.847 66 D CB -0.346 40.470 40.800 0.026 0.000 0.942 66 D HN 0.407 nan 8.370 nan 0.000 0.467 67 I N 0.434 121.023 120.570 0.031 0.000 2.454 67 I HA -0.197 3.988 4.170 0.026 0.000 0.254 67 I C 1.725 177.863 176.117 0.034 0.000 1.156 67 I CA 0.782 62.097 61.300 0.025 0.000 1.433 67 I CB 0.161 38.177 38.000 0.026 0.000 1.082 67 I HN -0.049 nan 8.210 nan 0.000 0.432 68 L N 0.177 121.434 121.223 0.057 0.000 2.558 68 L HA 0.099 4.455 4.340 0.026 0.000 0.225 68 L C 0.487 177.389 176.870 0.052 0.000 1.128 68 L CA -0.184 54.690 54.840 0.058 0.000 0.868 68 L CB -0.088 42.012 42.059 0.070 0.000 1.006 68 L HN -0.061 nan 8.230 nan 0.000 0.454 69 V N 0.490 120.441 119.914 0.061 0.000 2.546 69 V HA 0.452 4.587 4.120 0.026 0.000 0.284 69 V C 1.183 177.293 176.094 0.026 0.000 1.050 69 V CA 0.385 62.729 62.300 0.073 0.000 0.981 69 V CB 0.935 32.837 31.823 0.132 0.000 0.990 69 V HN 0.523 nan 8.190 nan 0.000 0.474 70 G N 3.027 111.829 108.800 0.003 0.000 2.143 70 G HA2 -0.180 3.795 3.960 0.026 0.000 0.249 70 G HA3 -0.180 3.795 3.960 0.026 0.000 0.249 70 G C 0.148 175.045 174.900 -0.005 0.000 0.981 70 G CA 0.031 45.119 45.100 -0.019 0.000 0.665 70 G HN 0.625 nan 8.290 nan 0.000 0.528 71 E N -0.234 119.970 120.200 0.006 0.000 2.409 71 E HA 0.149 4.515 4.350 0.026 0.000 0.257 71 E C 1.003 177.621 176.600 0.029 0.000 1.150 71 E CA -0.497 55.908 56.400 0.009 0.000 0.942 71 E CB 0.219 29.922 29.700 0.004 0.000 0.979 71 E HN 0.154 nan 8.360 nan 0.000 0.447 72 N N 0.922 119.650 118.700 0.046 0.000 2.459 72 N HA -0.086 4.669 4.740 0.026 0.000 0.181 72 N C -0.385 175.204 175.510 0.132 0.000 1.046 72 N CA 0.816 53.910 53.050 0.074 0.000 0.904 72 N CB 0.179 38.731 38.487 0.109 0.000 0.964 72 N HN 0.331 nan 8.380 nan 0.000 0.444 73 D N -0.368 120.112 120.400 0.133 0.000 2.696 73 D HA 0.199 4.855 4.640 0.026 0.000 0.251 73 D C 0.945 177.308 176.300 0.104 0.000 1.188 73 D CA -0.411 53.691 54.000 0.171 0.000 0.876 73 D CB 1.348 42.248 40.800 0.165 0.000 1.334 73 D HN -0.171 nan 8.370 nan 0.000 0.540 74 L N 2.148 123.434 121.223 0.105 0.000 2.131 74 L HA -0.122 4.233 4.340 0.026 0.000 0.210 74 L C 2.251 179.156 176.870 0.059 0.000 1.092 74 L CA 1.582 56.464 54.840 0.070 0.000 0.759 74 L CB -0.471 41.630 42.059 0.069 0.000 0.903 74 L HN 0.547 nan 8.230 nan 0.000 0.435 75 T N -3.139 111.459 114.554 0.074 0.000 3.155 75 T HA 0.011 4.377 4.350 0.026 0.000 0.264 75 T C 1.576 176.309 174.700 0.055 0.000 1.160 75 T CA 0.689 62.827 62.100 0.062 0.000 1.075 75 T CB -0.112 68.797 68.868 0.069 0.000 0.921 75 T HN 0.310 nan 8.240 nan 0.000 0.533 76 A N 0.726 123.578 122.820 0.054 0.000 2.238 76 A HA 0.472 4.807 4.320 0.026 0.000 0.208 76 A C 0.919 178.542 177.584 0.065 0.000 1.177 76 A CA -0.240 51.834 52.037 0.062 0.000 0.804 76 A CB -0.450 18.567 19.000 0.028 0.000 0.823 76 A HN 0.589 nan 8.150 nan 0.000 0.482 77 L N -0.090 121.154 121.223 0.035 0.000 2.416 77 L HA 0.119 4.474 4.340 0.026 0.000 0.272 77 L C 1.780 178.629 176.870 -0.035 0.000 1.161 77 L CA -0.263 54.581 54.840 0.005 0.000 0.845 77 L CB 1.198 43.250 42.059 -0.012 0.000 1.119 77 L HN 0.297 nan 8.230 nan 0.000 0.464 78 S N 2.250 117.886 115.700 -0.107 0.000 2.362 78 S HA -0.031 4.454 4.470 0.026 0.000 0.221 78 S C 0.445 174.897 174.600 -0.247 0.000 1.032 78 S CA 0.604 58.669 58.200 -0.225 0.000 0.973 78 S CB 0.034 62.987 63.200 -0.412 0.000 0.849 78 S HN 0.411 nan 8.310 nan 0.000 0.465 79 Y N 1.927 122.165 120.300 -0.103 0.000 2.535 79 Y HA 0.524 5.089 4.550 0.024 0.000 0.349 79 Y C -0.376 175.241 175.900 -0.472 0.000 0.992 79 Y CA -1.153 56.820 58.100 -0.213 0.000 1.248 79 Y CB 0.384 38.746 38.460 -0.163 0.000 1.124 79 Y HN 0.090 nan 8.280 nan 0.000 0.520 80 L N 7.141 128.270 121.223 -0.157 0.000 2.314 80 L HA 0.372 4.728 4.340 0.026 0.000 0.275 80 L C -0.758 176.040 176.870 -0.120 0.000 1.068 80 L CA -0.474 54.271 54.840 -0.158 0.000 0.894 80 L CB -1.246 40.790 42.059 -0.038 0.000 1.275 80 L HN 0.752 nan 8.230 nan 0.000 0.432 81 H N -0.005 119.049 119.070 -0.027 0.000 2.942 81 H HA 0.375 4.946 4.556 0.025 0.000 0.316 81 H C 0.502 175.715 175.328 -0.192 0.000 1.323 81 H CA -0.486 55.501 56.048 -0.102 0.000 1.144 81 H CB 0.402 30.087 29.762 -0.127 0.000 1.866 81 H HN 0.270 nan 8.280 nan 0.000 0.545 82 E N 0.069 120.264 120.200 -0.009 0.000 2.038 82 E HA -0.112 4.253 4.350 0.026 0.000 0.195 82 E C -0.804 175.596 176.600 -0.333 0.000 1.000 82 E CA 1.675 58.005 56.400 -0.116 0.000 0.803 82 E CB -1.074 28.610 29.700 -0.026 0.000 0.750 82 E HN 0.566 nan 8.360 nan 0.000 0.448 83 P HA -0.130 nan 4.420 nan 0.000 0.218 83 P C 1.052 177.845 177.300 -0.846 0.000 1.148 83 P CA 1.910 64.242 63.100 -1.281 0.000 0.822 83 P CB -0.137 30.250 31.700 -2.188 0.000 0.784 84 A N -0.229 122.411 122.820 -0.300 0.000 1.898 84 A HA -0.110 4.226 4.320 0.026 0.000 0.216 84 A C 2.436 179.975 177.584 -0.075 0.000 1.181 84 A CA 1.719 53.699 52.037 -0.096 0.000 0.620 84 A CB -1.613 17.296 19.000 -0.151 0.000 0.819 84 A HN 0.046 nan 8.150 nan 0.000 0.442 85 V N -0.392 119.471 119.914 -0.085 0.000 2.295 85 V HA -0.225 3.910 4.120 0.026 0.000 0.246 85 V C 2.482 178.564 176.094 -0.019 0.000 1.049 85 V CA 1.924 64.204 62.300 -0.032 0.000 1.024 85 V CB -0.797 31.020 31.823 -0.009 0.000 0.648 85 V HN 0.540 nan 8.190 nan 0.000 0.447 86 L N -0.139 121.061 121.223 -0.039 0.000 2.013 86 L HA -0.243 4.113 4.340 0.026 0.000 0.212 86 L C 2.506 179.350 176.870 -0.043 0.000 1.073 86 L CA 2.533 57.398 54.840 0.042 0.000 0.753 86 L CB -0.860 41.225 42.059 0.044 0.000 0.890 86 L HN 0.548 nan 8.230 nan 0.000 0.432 87 H N -0.866 118.068 119.070 -0.227 0.000 2.357 87 H HA -0.093 4.479 4.556 0.026 0.000 0.301 87 H C 2.110 177.387 175.328 -0.086 0.000 1.082 87 H CA 2.048 57.999 56.048 -0.162 0.000 1.342 87 H CB -0.056 29.637 29.762 -0.116 0.000 1.389 87 H HN 0.393 nan 8.280 nan 0.000 0.511 88 N N -0.006 118.617 118.700 -0.129 0.000 2.142 88 N HA -0.123 4.632 4.740 0.026 0.000 0.186 88 N C 2.026 177.446 175.510 -0.149 0.000 1.023 88 N CA 1.319 54.283 53.050 -0.144 0.000 0.852 88 N CB -0.025 38.447 38.487 -0.024 0.000 0.998 88 N HN 0.356 nan 8.380 nan 0.000 0.424 89 L N 1.410 122.568 121.223 -0.109 0.000 2.046 89 L HA -0.161 4.194 4.340 0.026 0.000 0.208 89 L C 2.616 179.337 176.870 -0.249 0.000 1.077 89 L CA 1.133 55.928 54.840 -0.075 0.000 0.747 89 L CB -0.375 41.719 42.059 0.058 0.000 0.896 89 L HN 0.177 nan 8.230 nan 0.000 0.432 90 K N 0.434 120.474 120.400 -0.601 0.000 2.002 90 K HA -0.187 4.148 4.320 0.026 0.000 0.209 90 K C 2.074 178.444 176.600 -0.383 0.000 1.048 90 K CA 2.078 57.786 56.287 -0.964 0.000 0.930 90 K CB -0.100 31.818 32.500 -0.970 0.000 0.714 90 K HN 0.275 nan 8.250 nan 0.000 0.438 91 V N -1.001 118.705 119.914 -0.347 0.000 2.358 91 V HA -0.167 3.969 4.120 0.026 0.000 0.246 91 V C 2.145 178.170 176.094 -0.115 0.000 1.047 91 V CA 1.434 63.597 62.300 -0.229 0.000 1.035 91 V CB -0.768 30.871 31.823 -0.306 0.000 0.658 91 V HN 0.257 nan 8.190 nan 0.000 0.452 92 R N -0.606 119.842 120.500 -0.086 0.000 2.091 92 R HA -0.097 4.259 4.340 0.026 0.000 0.238 92 R C 2.155 178.497 176.300 0.069 0.000 1.136 92 R CA 2.245 58.340 56.100 -0.008 0.000 0.959 92 R CB -0.603 29.706 30.300 0.014 0.000 0.856 92 R HN 0.617 nan 8.270 nan 0.000 0.437 93 F N 0.768 120.684 119.950 -0.056 0.000 2.128 93 F HA -0.087 4.455 4.527 0.025 0.000 0.295 93 F C 1.906 177.753 175.800 0.078 0.000 1.100 93 F CA 1.137 59.180 58.000 0.072 0.000 1.260 93 F CB 0.074 39.161 39.000 0.144 0.000 1.009 93 F HN -0.146 nan 8.300 nan 0.000 0.476 94 I N 0.233 120.828 120.570 0.041 0.000 2.296 94 I HA -0.140 4.046 4.170 0.026 0.000 0.242 94 I C 1.811 177.838 176.117 -0.150 0.000 1.087 94 I CA 1.113 62.367 61.300 -0.076 0.000 1.393 94 I CB -1.366 36.651 38.000 0.028 0.000 1.093 94 I HN 0.087 nan 8.210 nan 0.000 0.421 95 D N 0.281 120.617 120.400 -0.107 0.000 2.234 95 D HA -0.018 4.638 4.640 0.026 0.000 0.205 95 D C 1.829 178.050 176.300 -0.132 0.000 0.962 95 D CA 0.894 54.830 54.000 -0.106 0.000 0.855 95 D CB 0.193 40.950 40.800 -0.071 0.000 0.951 95 D HN 0.162 nan 8.370 nan 0.000 0.500 96 S N -0.478 115.141 115.700 -0.135 0.000 2.603 96 S HA 0.089 4.575 4.470 0.026 0.000 0.232 96 S C 0.309 174.796 174.600 -0.189 0.000 1.016 96 S CA -0.428 57.694 58.200 -0.131 0.000 0.976 96 S CB 0.891 64.047 63.200 -0.074 0.000 0.921 96 S HN 0.121 nan 8.310 nan 0.000 0.516 97 K N 1.370 121.586 120.400 -0.307 0.000 3.035 97 K HA -0.166 4.170 4.320 0.026 0.000 0.262 97 K C -0.946 175.586 176.600 -0.112 0.000 1.024 97 K CA 0.469 56.468 56.287 -0.479 0.000 0.748 97 K CB -1.896 30.144 32.500 -0.768 0.000 1.247 97 K HN 0.411 nan 8.250 nan 0.000 0.482 98 L N 1.369 122.595 121.223 0.005 0.000 2.257 98 L HA 0.296 4.651 4.340 0.026 0.000 0.290 98 L C 1.864 178.842 176.870 0.180 0.000 1.044 98 L CA -0.423 54.457 54.840 0.067 0.000 0.810 98 L CB 0.657 42.744 42.059 0.047 0.000 1.193 98 L HN 0.238 nan 8.230 nan 0.000 0.425 99 I N -0.713 119.889 120.570 0.054 0.000 3.427 99 I HA 0.102 4.287 4.170 0.026 0.000 0.288 99 I C -0.231 175.748 176.117 -0.231 0.000 1.249 99 I CA 0.357 61.647 61.300 -0.018 0.000 1.421 99 I CB 0.202 38.044 38.000 -0.264 0.000 1.086 99 I HN 0.264 nan 8.210 nan 0.000 0.448 100 Y N 1.578 121.861 120.300 -0.029 0.000 2.377 100 Y HA 0.671 5.237 4.550 0.026 0.000 0.339 100 Y C -0.096 175.720 175.900 -0.140 0.000 1.011 100 Y CA -1.014 57.011 58.100 -0.125 0.000 1.093 100 Y CB 1.882 40.201 38.460 -0.235 0.000 1.201 100 Y HN -0.103 nan 8.280 nan 0.000 0.455 101 T N 2.422 116.981 114.554 0.009 0.000 2.956 101 T HA 0.388 4.754 4.350 0.026 0.000 0.312 101 T C -1.398 173.257 174.700 -0.075 0.000 1.151 101 T CA -0.907 61.159 62.100 -0.057 0.000 1.024 101 T CB 0.848 69.732 68.868 0.026 0.000 1.140 101 T HN 0.181 nan 8.240 nan 0.000 0.473 102 Y N 0.548 120.914 120.300 0.110 0.000 2.307 102 Y HA 0.495 5.060 4.550 0.025 0.000 0.324 102 Y C 0.836 176.795 175.900 0.099 0.000 1.238 102 Y CA -1.151 57.014 58.100 0.109 0.000 1.280 102 Y CB 0.849 39.368 38.460 0.099 0.000 1.248 102 Y HN 0.685 nan 8.280 nan 0.000 0.508 103 C N 3.801 123.290 119.300 0.314 0.000 2.816 103 C HA 0.626 5.101 4.460 0.026 0.000 0.255 103 C C 0.833 175.950 174.990 0.213 0.000 1.141 103 C CA 0.304 59.451 59.018 0.215 0.000 1.554 103 C CB -1.841 26.002 27.740 0.172 0.000 1.778 103 C HN 1.181 nan 8.230 nan 0.000 0.429 104 G N 4.976 113.878 108.800 0.171 0.000 2.565 104 G HA2 -0.339 3.636 3.960 0.026 0.000 0.295 104 G HA3 -0.339 3.636 3.960 0.026 0.000 0.295 104 G C 0.839 175.792 174.900 0.087 0.000 1.165 104 G CA 0.880 46.046 45.100 0.109 0.000 0.977 104 G HN 1.482 nan 8.290 nan 0.000 0.546 105 I N -0.389 120.250 120.570 0.116 0.000 3.059 105 I HA 0.389 4.575 4.170 0.026 0.000 0.270 105 I C 0.975 177.258 176.117 0.276 0.000 1.238 105 I CA 0.158 61.535 61.300 0.129 0.000 1.478 105 I CB -0.313 37.771 38.000 0.140 0.000 1.097 105 I HN 0.221 nan 8.210 nan 0.000 0.455 106 V N 3.537 123.655 119.914 0.340 0.000 2.508 106 V HA 0.089 4.224 4.120 0.026 0.000 0.281 106 V C 0.063 176.395 176.094 0.396 0.000 1.041 106 V CA -0.345 62.182 62.300 0.379 0.000 1.016 106 V CB 1.116 33.122 31.823 0.304 0.000 0.984 106 V HN 0.307 nan 8.190 nan 0.000 0.478 107 L N 7.648 129.096 121.223 0.376 0.000 2.260 107 L HA 0.441 4.796 4.340 0.026 0.000 0.289 107 L C -0.154 176.839 176.870 0.205 0.000 1.057 107 L CA 0.469 55.490 54.840 0.302 0.000 0.811 107 L CB 1.141 43.338 42.059 0.230 0.000 1.184 107 L HN 0.431 nan 8.230 nan 0.000 0.429 108 V N 5.471 125.483 119.914 0.163 0.000 2.432 108 V HA 0.708 4.843 4.120 0.026 0.000 0.275 108 V C 0.459 176.626 176.094 0.122 0.000 1.043 108 V CA -0.172 62.199 62.300 0.118 0.000 0.925 108 V CB 0.896 32.771 31.823 0.088 0.000 0.985 108 V HN 0.946 nan 8.190 nan 0.000 0.466 109 A N 6.864 129.738 122.820 0.089 0.000 2.310 109 A HA 0.788 5.123 4.320 0.026 0.000 0.304 109 A C -0.644 176.881 177.584 -0.098 0.000 1.231 109 A CA -0.484 51.571 52.037 0.030 0.000 0.799 109 A CB 0.512 19.599 19.000 0.145 0.000 1.162 109 A HN 0.773 nan 8.150 nan 0.000 0.486 110 I N 2.629 123.092 120.570 -0.178 0.000 2.321 110 I HA 0.151 4.337 4.170 0.026 0.000 0.291 110 I C 0.212 176.194 176.117 -0.224 0.000 0.998 110 I CA -0.829 60.307 61.300 -0.274 0.000 1.227 110 I CB 1.208 38.894 38.000 -0.523 0.000 1.368 110 I HN 0.623 nan 8.210 nan 0.000 0.466 111 N N 9.584 128.124 118.700 -0.268 0.000 2.414 111 N HA 0.021 4.776 4.740 0.026 0.000 0.268 111 N C -1.523 173.833 175.510 -0.256 0.000 1.286 111 N CA -1.367 51.463 53.050 -0.367 0.000 0.896 111 N CB 0.952 39.070 38.487 -0.615 0.000 1.093 111 N HN 0.369 nan 8.380 nan 0.000 0.480 112 P HA -0.015 nan 4.420 nan 0.000 0.240 112 P C -0.463 176.628 177.300 -0.348 0.000 1.190 112 P CA 0.283 63.046 63.100 -0.562 0.000 0.781 112 P CB 0.024 31.122 31.700 -1.003 0.000 0.931 113 Y N -0.419 119.789 120.300 -0.153 0.000 3.305 113 Y HA -0.218 4.347 4.550 0.026 0.000 0.212 113 Y C 0.227 176.096 175.900 -0.052 0.000 1.248 113 Y CA 1.002 59.067 58.100 -0.058 0.000 1.359 113 Y CB -2.505 35.962 38.460 0.012 0.000 1.407 113 Y HN 0.233 nan 8.280 nan 0.000 0.572 114 E N -0.087 120.107 120.200 -0.011 0.000 2.347 114 E HA 0.307 4.673 4.350 0.026 0.000 0.285 114 E C -0.960 175.670 176.600 0.049 0.000 0.925 114 E CA -0.770 55.655 56.400 0.042 0.000 0.779 114 E CB 1.103 30.836 29.700 0.055 0.000 1.233 114 E HN 0.237 nan 8.360 nan 0.000 0.414 115 Q N 3.553 123.409 119.800 0.092 0.000 2.271 115 Q HA 0.213 4.568 4.340 0.026 0.000 0.273 115 Q C -0.396 175.679 176.000 0.124 0.000 1.051 115 Q CA 0.336 56.209 55.803 0.118 0.000 0.901 115 Q CB 0.693 29.503 28.738 0.120 0.000 1.174 115 Q HN 0.420 nan 8.270 nan 0.000 0.385 116 L N 5.514 126.820 121.223 0.137 0.000 2.309 116 L HA 0.352 4.708 4.340 0.026 0.000 0.282 116 L C -1.712 175.180 176.870 0.037 0.000 1.036 116 L CA -2.043 52.843 54.840 0.077 0.000 0.806 116 L CB 1.323 43.391 42.059 0.014 0.000 1.220 116 L HN 0.460 nan 8.230 nan 0.000 0.429 117 P HA 0.094 nan 4.420 nan 0.000 0.220 117 P C 0.413 177.677 177.300 -0.060 0.000 1.778 117 P CA 0.199 63.307 63.100 0.013 0.000 0.912 117 P CB -0.332 31.386 31.700 0.030 0.000 1.861 118 I N -5.227 115.196 120.570 -0.244 0.000 4.081 118 I HA 0.275 4.461 4.170 0.026 0.000 0.333 118 I C 0.007 175.874 176.117 -0.416 0.000 1.413 118 I CA -0.406 60.698 61.300 -0.327 0.000 1.110 118 I CB 0.008 37.769 38.000 -0.397 0.000 1.082 118 I HN -0.223 nan 8.210 nan 0.000 0.402 119 Y N 2.020 122.315 120.300 -0.009 0.000 2.500 119 Y HA 0.534 5.100 4.550 0.026 0.000 0.246 119 Y C 1.691 177.711 175.900 0.200 0.000 1.146 119 Y CA -0.790 57.305 58.100 -0.008 0.000 1.230 119 Y CB 0.178 38.218 38.460 -0.701 0.000 1.214 119 Y HN 0.164 nan 8.280 nan 0.000 0.526 120 G N 0.134 109.074 108.800 0.235 0.000 2.634 120 G HA2 0.005 3.980 3.960 0.026 0.000 0.255 120 G HA3 0.005 3.980 3.960 0.026 0.000 0.255 120 G C 0.922 175.910 174.900 0.146 0.000 1.205 120 G CA -0.213 44.993 45.100 0.177 0.000 0.884 120 G HN 0.342 nan 8.290 nan 0.000 0.549 121 E N -0.431 119.824 120.200 0.091 0.000 2.086 121 E HA -0.224 4.142 4.350 0.026 0.000 0.200 121 E C 1.693 178.310 176.600 0.028 0.000 1.012 121 E CA 1.814 58.236 56.400 0.036 0.000 0.812 121 E CB 0.046 29.761 29.700 0.025 0.000 0.743 121 E HN 0.529 nan 8.360 nan 0.000 0.453 122 D N 0.047 120.474 120.400 0.046 0.000 2.123 122 D HA -0.174 4.482 4.640 0.026 0.000 0.196 122 D C 2.028 178.366 176.300 0.063 0.000 0.992 122 D CA 1.071 55.095 54.000 0.041 0.000 0.833 122 D CB -0.236 40.588 40.800 0.039 0.000 0.954 122 D HN 0.334 nan 8.370 nan 0.000 0.455 123 I N 0.476 121.109 120.570 0.106 0.000 2.353 123 I HA -0.157 4.028 4.170 0.026 0.000 0.248 123 I C 2.374 178.614 176.117 0.205 0.000 1.119 123 I CA 0.414 61.820 61.300 0.178 0.000 1.417 123 I CB -0.052 38.068 38.000 0.199 0.000 1.078 123 I HN -0.099 nan 8.210 nan 0.000 0.421 124 I N 1.103 121.699 120.570 0.042 0.000 2.194 124 I HA -0.341 3.845 4.170 0.026 0.000 0.246 124 I C 2.157 178.272 176.117 -0.004 0.000 1.093 124 I CA 1.380 62.572 61.300 -0.180 0.000 1.355 124 I CB -0.555 37.235 38.000 -0.351 0.000 1.046 124 I HN 0.324 nan 8.210 nan 0.000 0.413 125 N N 1.049 119.743 118.700 -0.009 0.000 2.166 125 N HA -0.130 4.626 4.740 0.026 0.000 0.186 125 N C 1.871 177.398 175.510 0.029 0.000 1.019 125 N CA 1.619 54.665 53.050 -0.007 0.000 0.856 125 N CB -0.417 38.061 38.487 -0.015 0.000 0.993 125 N HN 0.386 nan 8.380 nan 0.000 0.426 126 A N -0.221 122.627 122.820 0.047 0.000 2.015 126 A HA -0.074 4.262 4.320 0.026 0.000 0.219 126 A C 1.718 179.255 177.584 -0.080 0.000 1.163 126 A CA 0.800 52.825 52.037 -0.020 0.000 0.646 126 A CB -0.573 18.399 19.000 -0.046 0.000 0.806 126 A HN 0.296 nan 8.150 nan 0.000 0.448 127 Y N -0.131 120.193 120.300 0.039 0.000 2.365 127 Y HA 0.107 4.672 4.550 0.026 0.000 0.293 127 Y C 1.722 177.693 175.900 0.119 0.000 1.119 127 Y CA 0.860 59.000 58.100 0.067 0.000 1.203 127 Y CB -0.043 38.447 38.460 0.049 0.000 1.026 127 Y HN 0.223 nan 8.280 nan 0.000 0.549 128 S N -0.128 115.722 115.700 0.250 0.000 2.546 128 S HA 0.272 4.757 4.470 0.026 0.000 0.290 128 S C 1.275 175.941 174.600 0.110 0.000 1.290 128 S CA 0.839 59.147 58.200 0.180 0.000 1.069 128 S CB -0.147 63.071 63.200 0.031 0.000 0.846 128 S HN 0.810 nan 8.310 nan 0.000 0.495 129 G N 3.627 112.501 108.800 0.124 0.000 2.212 129 G HA2 -0.199 3.776 3.960 0.026 0.000 0.266 129 G HA3 -0.199 3.776 3.960 0.026 0.000 0.266 129 G C 0.100 175.037 174.900 0.061 0.000 0.978 129 G CA 0.329 45.478 45.100 0.082 0.000 0.632 129 G HN 0.692 nan 8.290 nan 0.000 0.537 130 Q N 0.671 120.509 119.800 0.063 0.000 2.256 130 Q HA 0.352 4.707 4.340 0.026 0.000 0.232 130 Q C 0.533 176.566 176.000 0.055 0.000 0.965 130 Q CA -0.509 55.313 55.803 0.032 0.000 0.908 130 Q CB 0.505 29.230 28.738 -0.022 0.000 1.209 130 Q HN 0.509 nan 8.270 nan 0.000 0.489 131 N N 0.911 119.633 118.700 0.037 0.000 2.483 131 N HA 0.115 4.870 4.740 0.026 0.000 0.269 131 N C -0.051 175.495 175.510 0.059 0.000 1.209 131 N CA -0.412 52.664 53.050 0.043 0.000 0.969 131 N CB 0.466 38.968 38.487 0.026 0.000 1.173 131 N HN 0.404 nan 8.380 nan 0.000 0.475 132 M N 1.268 120.899 119.600 0.052 0.000 2.429 132 M HA 0.197 4.692 4.480 0.026 0.000 0.334 132 M C 0.747 177.046 176.300 -0.001 0.000 1.560 132 M CA 0.290 55.612 55.300 0.037 0.000 1.291 132 M CB -0.982 31.620 32.600 0.004 0.000 1.754 132 M HN 0.817 nan 8.290 nan 0.000 0.456 133 G N 3.232 112.060 108.800 0.046 0.000 2.797 133 G HA2 -0.183 3.792 3.960 0.026 0.000 0.195 133 G HA3 -0.183 3.792 3.960 0.026 0.000 0.195 133 G C 0.723 175.663 174.900 0.066 0.000 1.026 133 G CA 0.100 45.226 45.100 0.043 0.000 0.759 133 G HN 0.588 nan 8.290 nan 0.000 0.475 134 D N 0.607 121.032 120.400 0.042 0.000 2.277 134 D HA 0.094 4.750 4.640 0.026 0.000 0.208 134 D C 0.982 177.281 176.300 -0.002 0.000 0.962 134 D CA 0.733 54.741 54.000 0.012 0.000 0.865 134 D CB 0.119 40.914 40.800 -0.008 0.000 0.939 134 D HN 0.270 nan 8.370 nan 0.000 0.510 135 M N 1.005 120.617 119.600 0.019 0.000 2.528 135 M HA 0.199 4.694 4.480 0.026 0.000 0.318 135 M C -0.151 176.239 176.300 0.149 0.000 1.195 135 M CA -0.684 54.595 55.300 -0.036 0.000 1.000 135 M CB 1.265 33.691 32.600 -0.290 0.000 1.615 135 M HN -0.284 nan 8.290 nan 0.000 0.469 136 D N 3.254 123.736 120.400 0.137 0.000 2.443 136 D HA 0.167 4.823 4.640 0.026 0.000 0.239 136 D C -2.076 174.370 176.300 0.244 0.000 1.136 136 D CA -0.659 53.449 54.000 0.181 0.000 0.879 136 D CB 0.125 41.018 40.800 0.155 0.000 1.195 136 D HN 0.190 nan 8.370 nan 0.000 0.443 137 P HA -0.018 nan 4.420 nan 0.000 0.261 137 P C -0.623 176.583 177.300 -0.157 0.000 1.173 137 P CA 0.775 63.626 63.100 -0.416 0.000 0.760 137 P CB 0.279 31.492 31.700 -0.810 0.000 0.783 138 H N 1.202 119.991 119.070 -0.467 0.000 3.068 138 H HA 0.188 4.759 4.556 0.026 0.000 0.342 138 H C 0.716 175.447 175.328 -0.996 0.000 1.284 138 H CA -0.725 54.773 56.048 -0.917 0.000 1.181 138 H CB 0.972 30.213 29.762 -0.869 0.000 1.898 138 H HN 0.156 nan 8.280 nan 0.000 0.540 139 I N 2.543 122.322 120.570 -1.318 0.000 2.264 139 I HA -0.199 3.986 4.170 0.026 0.000 0.248 139 I C 1.038 176.968 176.117 -0.311 0.000 1.111 139 I CA 1.513 62.443 61.300 -0.617 0.000 1.382 139 I CB -0.483 37.257 38.000 -0.433 0.000 1.060 139 I HN 0.602 nan 8.210 nan 0.000 0.418 140 F N 1.129 120.882 119.950 -0.329 0.000 2.161 140 F HA -0.161 4.381 4.527 0.026 0.000 0.300 140 F C 2.602 177.961 175.800 -0.735 0.000 1.089 140 F CA 0.906 58.415 58.000 -0.818 0.000 1.282 140 F CB -1.865 36.521 39.000 -1.024 0.000 1.010 140 F HN 0.183 nan 8.300 nan 0.000 0.485 141 A N -0.115 122.549 122.820 -0.261 0.000 1.902 141 A HA -0.105 4.231 4.320 0.026 0.000 0.217 141 A C 2.469 180.057 177.584 0.007 0.000 1.181 141 A CA 1.855 53.927 52.037 0.059 0.000 0.623 141 A CB -1.154 18.026 19.000 0.300 0.000 0.818 141 A HN 0.176 nan 8.150 nan 0.000 0.443 142 V N -0.240 119.654 119.914 -0.034 0.000 2.358 142 V HA -0.205 3.930 4.120 0.026 0.000 0.246 142 V C 3.049 179.066 176.094 -0.130 0.000 1.047 142 V CA 1.831 64.115 62.300 -0.027 0.000 1.035 142 V CB -1.187 30.646 31.823 0.016 0.000 0.658 142 V HN 0.606 nan 8.190 nan 0.000 0.452 143 A N 0.111 122.800 122.820 -0.218 0.000 1.902 143 A HA -0.266 4.070 4.320 0.026 0.000 0.217 143 A C 2.188 179.763 177.584 -0.015 0.000 1.181 143 A CA 2.117 54.002 52.037 -0.254 0.000 0.623 143 A CB -0.500 18.116 19.000 -0.640 0.000 0.818 143 A HN 0.587 nan 8.150 nan 0.000 0.443 144 E N 0.123 120.227 120.200 -0.161 0.000 2.051 144 E HA -0.200 4.165 4.350 0.026 0.000 0.192 144 E C 1.951 178.651 176.600 0.166 0.000 0.991 144 E CA 1.634 58.137 56.400 0.172 0.000 0.799 144 E CB -0.237 29.551 29.700 0.146 0.000 0.748 144 E HN 0.490 nan 8.360 nan 0.000 0.449 145 E N -0.116 120.118 120.200 0.056 0.000 2.118 145 E HA -0.181 4.185 4.350 0.026 0.000 0.195 145 E C 1.889 178.469 176.600 -0.034 0.000 0.992 145 E CA 1.152 57.577 56.400 0.041 0.000 0.804 145 E CB -0.331 29.407 29.700 0.063 0.000 0.741 145 E HN 0.394 nan 8.360 nan 0.000 0.458 146 A N 0.148 122.852 122.820 -0.192 0.000 1.872 146 A HA -0.185 4.150 4.320 0.026 0.000 0.214 146 A C 2.130 179.710 177.584 -0.007 0.000 1.187 146 A CA 1.241 53.143 52.037 -0.224 0.000 0.614 146 A CB -0.838 18.038 19.000 -0.207 0.000 0.826 146 A HN 0.309 nan 8.150 nan 0.000 0.442 147 Y N 0.936 121.254 120.300 0.030 0.000 2.097 147 Y HA -0.284 4.281 4.550 0.026 0.000 0.282 147 Y C 2.459 178.249 175.900 -0.184 0.000 1.152 147 Y CA 2.464 60.508 58.100 -0.093 0.000 1.136 147 Y CB -0.328 38.222 38.460 0.150 0.000 0.975 147 Y HN 0.387 nan 8.280 nan 0.000 0.498 148 K N -0.079 120.307 120.400 -0.022 0.000 2.009 148 K HA -0.267 4.069 4.320 0.026 0.000 0.210 148 K C 2.042 178.543 176.600 -0.164 0.000 1.049 148 K CA 2.204 58.431 56.287 -0.101 0.000 0.929 148 K CB -0.350 32.165 32.500 0.024 0.000 0.714 148 K HN 0.470 nan 8.250 nan 0.000 0.440 149 Q N 0.039 119.786 119.800 -0.087 0.000 2.291 149 Q HA -0.120 4.236 4.340 0.026 0.000 0.205 149 Q C 2.105 178.010 176.000 -0.159 0.000 0.970 149 Q CA 1.234 56.997 55.803 -0.067 0.000 0.876 149 Q CB -0.039 28.732 28.738 0.055 0.000 0.935 149 Q HN 0.476 nan 8.270 nan 0.000 0.455 150 M N 0.258 119.692 119.600 -0.276 0.000 2.059 150 M HA -0.205 4.291 4.480 0.026 0.000 0.259 150 M C 2.140 178.178 176.300 -0.438 0.000 1.072 150 M CA 1.912 56.987 55.300 -0.375 0.000 1.117 150 M CB -0.155 32.112 32.600 -0.556 0.000 1.320 150 M HN 0.237 nan 8.290 nan 0.000 0.408 151 A N 0.432 122.816 122.820 -0.727 0.000 1.877 151 A HA -0.232 4.103 4.320 0.026 0.000 0.216 151 A C 2.227 179.660 177.584 -0.253 0.000 1.186 151 A CA 2.044 53.679 52.037 -0.669 0.000 0.620 151 A CB -0.914 17.565 19.000 -0.868 0.000 0.822 151 A HN 0.654 nan 8.150 nan 0.000 0.443 152 R N -0.604 119.770 120.500 -0.210 0.000 2.081 152 R HA -0.152 4.203 4.340 0.026 0.000 0.235 152 R C 0.647 176.907 176.300 -0.068 0.000 1.131 152 R CA 1.904 57.942 56.100 -0.104 0.000 0.960 152 R CB -0.288 29.965 30.300 -0.079 0.000 0.856 152 R HN 0.379 nan 8.270 nan 0.000 0.436 153 D N 0.728 121.082 120.400 -0.077 0.000 2.350 153 D HA -0.004 4.652 4.640 0.026 0.000 0.213 153 D C -0.406 175.870 176.300 -0.041 0.000 1.031 153 D CA 0.289 54.260 54.000 -0.048 0.000 0.861 153 D CB 0.165 40.938 40.800 -0.045 0.000 0.926 153 D HN 0.128 nan 8.370 nan 0.000 0.520 154 E N 0.760 120.937 120.200 -0.038 0.000 2.332 154 E HA -0.269 4.097 4.350 0.026 0.000 0.162 154 E C 0.082 176.652 176.600 -0.049 0.000 1.637 154 E CA 0.624 57.027 56.400 0.006 0.000 0.654 154 E CB -1.075 28.659 29.700 0.057 0.000 1.072 154 E HN 0.411 nan 8.360 nan 0.000 0.336 155 R N 1.405 121.847 120.500 -0.096 0.000 2.563 155 R HA 0.167 4.523 4.340 0.026 0.000 0.262 155 R C -0.619 175.560 176.300 -0.202 0.000 1.128 155 R CA -0.680 55.343 56.100 -0.128 0.000 0.969 155 R CB 0.998 31.243 30.300 -0.091 0.000 1.251 155 R HN 0.023 nan 8.270 nan 0.000 0.442 156 N N 2.813 121.335 118.700 -0.297 0.000 2.441 156 N HA 0.046 4.802 4.740 0.026 0.000 0.251 156 N C -0.733 174.570 175.510 -0.345 0.000 1.242 156 N CA 0.253 52.985 53.050 -0.531 0.000 0.898 156 N CB 0.792 38.674 38.487 -1.008 0.000 1.100 156 N HN 0.474 nan 8.380 nan 0.000 0.443 157 Q N 0.376 119.995 119.800 -0.301 0.000 2.348 157 Q HA 0.466 4.821 4.340 0.026 0.000 0.271 157 Q C -0.780 175.249 176.000 0.049 0.000 1.067 157 Q CA -0.565 55.201 55.803 -0.062 0.000 0.839 157 Q CB 2.069 30.820 28.738 0.021 0.000 1.354 157 Q HN 0.381 nan 8.270 nan 0.000 0.447 158 S N 1.306 117.083 115.700 0.128 0.000 2.561 158 S HA 0.595 5.081 4.470 0.026 0.000 0.303 158 S C -0.333 174.353 174.600 0.143 0.000 1.110 158 S CA -0.556 57.756 58.200 0.186 0.000 1.034 158 S CB 0.705 63.998 63.200 0.155 0.000 1.010 158 S HN 0.379 nan 8.310 nan 0.000 0.482 159 I N 4.058 124.717 120.570 0.148 0.000 2.328 159 I HA 0.384 4.570 4.170 0.026 0.000 0.287 159 I C -0.669 175.485 176.117 0.061 0.000 1.012 159 I CA -0.347 61.019 61.300 0.110 0.000 1.195 159 I CB 0.872 38.958 38.000 0.145 0.000 1.350 159 I HN 0.463 nan 8.210 nan 0.000 0.464 160 I N 7.306 127.851 120.570 -0.042 0.000 2.291 160 I HA 0.181 4.366 4.170 0.026 0.000 0.290 160 I C -0.249 175.901 176.117 0.054 0.000 1.050 160 I CA -0.505 60.785 61.300 -0.016 0.000 1.245 160 I CB 1.067 39.001 38.000 -0.110 0.000 1.405 160 I HN 0.237 nan 8.210 nan 0.000 0.478 161 V N 6.155 126.101 119.914 0.052 0.000 2.304 161 V HA 0.246 4.381 4.120 0.026 0.000 0.269 161 V C 0.431 176.545 176.094 0.032 0.000 1.036 161 V CA -0.363 61.970 62.300 0.055 0.000 0.840 161 V CB 0.814 32.662 31.823 0.042 0.000 1.036 161 V HN 0.831 nan 8.190 nan 0.000 0.466 162 S N 3.495 119.227 115.700 0.052 0.000 2.638 162 S HA 1.012 5.497 4.470 0.026 0.000 0.298 162 S C 0.044 174.665 174.600 0.034 0.000 1.111 162 S CA 0.033 58.251 58.200 0.030 0.000 1.027 162 S CB 2.167 65.386 63.200 0.033 0.000 1.064 162 S HN 1.703 nan 8.310 nan 0.000 0.525 163 G N 0.893 109.716 108.800 0.038 0.000 2.361 163 G HA2 0.269 4.244 3.960 0.026 0.000 0.331 163 G HA3 0.269 4.244 3.960 0.026 0.000 0.331 163 G C -1.226 173.711 174.900 0.062 0.000 1.324 163 G CA -0.430 44.698 45.100 0.045 0.000 0.984 163 G HN 1.113 nan 8.290 nan 0.000 0.586 164 E N -0.154 120.083 120.200 0.061 0.000 2.374 164 E HA 0.608 4.974 4.350 0.026 0.000 0.260 164 E C 0.264 176.901 176.600 0.061 0.000 1.101 164 E CA -0.195 56.253 56.400 0.080 0.000 0.907 164 E CB 0.950 30.698 29.700 0.081 0.000 1.014 164 E HN 0.393 nan 8.360 nan 0.000 0.427 165 S N 0.970 116.719 115.700 0.080 0.000 2.549 165 S HA 0.341 4.826 4.470 0.026 0.000 0.286 165 S C 1.098 175.734 174.600 0.060 0.000 1.314 165 S CA 0.364 58.606 58.200 0.070 0.000 1.062 165 S CB 0.609 63.871 63.200 0.104 0.000 0.865 165 S HN 0.939 nan 8.310 nan 0.000 0.498 166 G N 1.743 110.570 108.800 0.045 0.000 2.199 166 G HA2 -0.285 3.691 3.960 0.026 0.000 0.254 166 G HA3 -0.285 3.691 3.960 0.026 0.000 0.254 166 G C 0.859 175.760 174.900 0.002 0.000 0.982 166 G CA 0.303 45.431 45.100 0.047 0.000 0.632 166 G HN 1.089 nan 8.290 nan 0.000 0.529 167 A N 0.092 122.901 122.820 -0.019 0.000 2.209 167 A HA 0.524 4.859 4.320 0.026 0.000 0.212 167 A C 2.348 179.861 177.584 -0.118 0.000 1.158 167 A CA 2.099 54.093 52.037 -0.071 0.000 0.742 167 A CB -0.422 18.555 19.000 -0.039 0.000 0.790 167 A HN 2.510 nan 8.150 nan 0.000 0.472 168 G N -0.943 107.803 108.800 -0.091 0.000 2.155 168 G HA2 -0.145 3.831 3.960 0.026 0.000 0.135 168 G HA3 -0.145 3.831 3.960 0.026 0.000 0.135 168 G C 0.635 175.512 174.900 -0.038 0.000 1.023 168 G CA 0.300 45.344 45.100 -0.092 0.000 0.688 168 G HN 0.404 nan 8.290 nan 0.000 0.499 169 K N -0.051 120.335 120.400 -0.023 0.000 2.116 169 K HA -0.035 4.301 4.320 0.026 0.000 0.203 169 K C 2.805 179.396 176.600 -0.016 0.000 1.052 169 K CA 1.716 57.997 56.287 -0.009 0.000 0.952 169 K CB -0.176 32.320 32.500 -0.007 0.000 0.729 169 K HN 0.534 nan 8.250 nan 0.000 0.446 170 T N -0.877 113.663 114.554 -0.024 0.000 2.904 170 T HA -0.053 4.313 4.350 0.026 0.000 0.267 170 T C 2.135 176.789 174.700 -0.077 0.000 1.059 170 T CA 0.767 62.844 62.100 -0.038 0.000 1.137 170 T CB -0.420 68.434 68.868 -0.023 0.000 0.879 170 T HN -0.112 nan 8.240 nan 0.000 0.467 171 V N 1.885 121.757 119.914 -0.070 0.000 2.343 171 V HA -0.151 3.985 4.120 0.026 0.000 0.247 171 V C 3.107 179.168 176.094 -0.055 0.000 1.051 171 V CA 2.126 64.374 62.300 -0.087 0.000 1.036 171 V CB -0.963 30.843 31.823 -0.028 0.000 0.654 171 V HN 0.541 nan 8.190 nan 0.000 0.451 172 S N 0.224 115.922 115.700 -0.004 0.000 2.368 172 S HA -0.170 4.316 4.470 0.026 0.000 0.225 172 S C 2.205 176.805 174.600 0.001 0.000 1.030 172 S CA 1.421 59.639 58.200 0.030 0.000 0.999 172 S CB -0.478 62.751 63.200 0.048 0.000 0.844 172 S HN 0.655 nan 8.310 nan 0.000 0.459 173 A N 1.848 124.655 122.820 -0.022 0.000 1.873 173 A HA -0.126 4.209 4.320 0.026 0.000 0.215 173 A C 2.014 179.558 177.584 -0.065 0.000 1.186 173 A CA 1.865 53.891 52.037 -0.018 0.000 0.616 173 A CB -0.599 18.389 19.000 -0.019 0.000 0.823 173 A HN 0.486 nan 8.150 nan 0.000 0.442 174 K N -1.772 118.522 120.400 -0.177 0.000 2.074 174 K HA -0.222 4.114 4.320 0.026 0.000 0.209 174 K C 1.635 177.994 176.600 -0.401 0.000 1.048 174 K CA 2.126 58.201 56.287 -0.353 0.000 0.926 174 K CB -0.339 31.807 32.500 -0.590 0.000 0.713 174 K HN 0.529 nan 8.250 nan 0.000 0.444 175 Y N -0.380 119.887 120.300 -0.055 0.000 2.503 175 Y HA 0.227 4.793 4.550 0.026 0.000 0.278 175 Y C 2.140 178.122 175.900 0.138 0.000 1.111 175 Y CA 0.323 58.453 58.100 0.051 0.000 1.270 175 Y CB -0.252 38.126 38.460 -0.136 0.000 1.063 175 Y HN 0.159 nan 8.280 nan 0.000 0.548 176 A N 0.220 123.095 122.820 0.091 0.000 1.883 176 A HA -0.224 4.111 4.320 0.026 0.000 0.217 176 A C 2.258 179.694 177.584 -0.247 0.000 1.186 176 A CA 1.986 53.946 52.037 -0.129 0.000 0.624 176 A CB -0.681 18.280 19.000 -0.065 0.000 0.822 176 A HN 0.382 nan 8.150 nan 0.000 0.444 177 M N -1.679 117.942 119.600 0.035 0.000 2.099 177 M HA -0.124 4.372 4.480 0.026 0.000 0.262 177 M C 2.434 178.803 176.300 0.115 0.000 1.067 177 M CA 1.903 57.309 55.300 0.177 0.000 1.124 177 M CB -0.364 32.299 32.600 0.104 0.000 1.353 177 M HN 0.508 nan 8.290 nan 0.000 0.410 178 R N -0.334 120.211 120.500 0.076 0.000 2.117 178 R HA -0.244 4.111 4.340 0.026 0.000 0.243 178 R C 2.155 178.496 176.300 0.068 0.000 1.143 178 R CA 1.926 58.087 56.100 0.102 0.000 0.968 178 R CB -0.475 29.957 30.300 0.220 0.000 0.863 178 R HN 0.362 nan 8.270 nan 0.000 0.444 179 Y N 0.058 120.306 120.300 -0.087 0.000 2.133 179 Y HA -0.204 4.362 4.550 0.026 0.000 0.287 179 Y C 1.671 177.439 175.900 -0.221 0.000 1.134 179 Y CA 1.885 59.803 58.100 -0.303 0.000 1.133 179 Y CB -0.410 37.797 38.460 -0.422 0.000 0.987 179 Y HN -0.004 nan 8.280 nan 0.000 0.502 180 F N 0.030 120.031 119.950 0.085 0.000 2.161 180 F HA -0.182 4.360 4.527 0.026 0.000 0.300 180 F C 2.580 178.327 175.800 -0.088 0.000 1.089 180 F CA 1.102 59.108 58.000 0.010 0.000 1.282 180 F CB -1.450 37.735 39.000 0.309 0.000 1.010 180 F HN 0.162 nan 8.300 nan 0.000 0.485 181 A N -0.556 122.338 122.820 0.123 0.000 1.898 181 A HA -0.145 4.191 4.320 0.026 0.000 0.216 181 A C 2.280 179.828 177.584 -0.061 0.000 1.181 181 A CA 2.200 54.255 52.037 0.030 0.000 0.620 181 A CB -1.222 17.790 19.000 0.020 0.000 0.819 181 A HN 0.351 nan 8.150 nan 0.000 0.442 182 T N -0.056 114.405 114.554 -0.154 0.000 2.698 182 T HA -0.107 4.259 4.350 0.026 0.000 0.260 182 T C 2.025 176.564 174.700 -0.268 0.000 1.044 182 T CA 2.108 64.084 62.100 -0.208 0.000 1.149 182 T CB -0.785 67.924 68.868 -0.265 0.000 0.864 182 T HN 0.625 nan 8.240 nan 0.000 0.419 183 V N 1.448 121.080 119.914 -0.469 0.000 2.626 183 V HA 0.000 4.136 4.120 0.026 0.000 0.252 183 V C 1.454 177.379 176.094 -0.283 0.000 1.067 183 V CA 0.905 62.927 62.300 -0.463 0.000 1.081 183 V CB -1.290 30.087 31.823 -0.744 0.000 0.686 183 V HN 0.497 nan 8.190 nan 0.000 0.468 192 V N 0.190 120.080 119.914 -0.040 0.000 2.307 192 V HA -0.078 4.058 4.120 0.026 0.000 0.245 192 V C 3.142 179.211 176.094 -0.041 0.000 1.045 192 V CA 3.085 65.354 62.300 -0.051 0.000 1.024 192 V CB -0.456 31.326 31.823 -0.068 0.000 0.651 192 V HN 0.889 nan 8.190 nan 0.000 0.449 193 E N 0.112 120.295 120.200 -0.029 0.000 2.130 193 E HA -0.306 4.059 4.350 0.026 0.000 0.196 193 E C 2.066 178.640 176.600 -0.042 0.000 0.998 193 E CA 2.179 58.560 56.400 -0.031 0.000 0.806 193 E CB -0.901 28.783 29.700 -0.026 0.000 0.738 193 E HN 0.834 nan 8.360 nan 0.000 0.459 194 E N -0.082 120.097 120.200 -0.036 0.000 2.230 194 E HA 0.131 4.497 4.350 0.026 0.000 0.192 194 E C 2.327 178.905 176.600 -0.035 0.000 0.987 194 E CA 1.671 58.050 56.400 -0.034 0.000 0.841 194 E CB -0.944 28.742 29.700 -0.024 0.000 0.783 194 E HN 0.767 nan 8.360 nan 0.000 0.481 195 K N 0.446 120.821 120.400 -0.041 0.000 2.103 195 K HA 0.197 4.532 4.320 0.026 0.000 0.204 195 K C 2.504 179.072 176.600 -0.054 0.000 1.052 195 K CA 1.093 57.351 56.287 -0.048 0.000 0.945 195 K CB -0.979 31.486 32.500 -0.058 0.000 0.722 195 K HN 0.289 nan 8.250 nan 0.000 0.443 196 V N 1.370 121.252 119.914 -0.054 0.000 2.295 196 V HA -0.200 3.935 4.120 0.026 0.000 0.246 196 V C 2.546 178.615 176.094 -0.042 0.000 1.049 196 V CA 1.769 64.037 62.300 -0.053 0.000 1.024 196 V CB -0.368 31.426 31.823 -0.047 0.000 0.648 196 V HN 0.512 nan 8.190 nan 0.000 0.447 197 L N 0.006 121.203 121.223 -0.043 0.000 2.201 197 L HA -0.095 4.261 4.340 0.026 0.000 0.212 197 L C 2.621 179.475 176.870 -0.026 0.000 1.105 197 L CA 1.242 56.058 54.840 -0.039 0.000 0.775 197 L CB -0.716 41.311 42.059 -0.054 0.000 0.913 197 L HN 0.362 nan 8.230 nan 0.000 0.440 198 A N 0.033 122.837 122.820 -0.028 0.000 2.015 198 A HA -0.170 4.166 4.320 0.026 0.000 0.219 198 A C 2.474 180.046 177.584 -0.019 0.000 1.163 198 A CA 1.647 53.672 52.037 -0.019 0.000 0.646 198 A CB -0.467 18.520 19.000 -0.022 0.000 0.806 198 A HN 0.504 nan 8.150 nan 0.000 0.448 199 S N 0.013 115.694 115.700 -0.031 0.000 2.522 199 S HA -0.101 4.384 4.470 0.026 0.000 0.227 199 S C 1.517 176.110 174.600 -0.013 0.000 0.986 199 S CA 0.853 59.031 58.200 -0.037 0.000 0.929 199 S CB -0.523 62.639 63.200 -0.062 0.000 0.769 199 S HN 0.496 nan 8.310 nan 0.000 0.529 200 N N 3.478 122.182 118.700 0.006 0.000 2.036 200 N HA -0.027 4.728 4.740 0.026 0.000 0.195 200 N C -1.086 174.458 175.510 0.057 0.000 1.037 200 N CA 1.744 54.815 53.050 0.036 0.000 0.855 200 N CB -1.742 36.763 38.487 0.029 0.000 1.033 200 N HN 0.392 nan 8.380 nan 0.000 0.423 201 P HA -0.038 nan 4.420 nan 0.000 0.218 201 P C 1.394 178.731 177.300 0.061 0.000 1.149 201 P CA 0.866 64.004 63.100 0.063 0.000 0.817 201 P CB 0.043 31.772 31.700 0.049 0.000 0.785 202 I N -1.837 118.744 120.570 0.020 0.000 2.163 202 I HA -0.212 3.974 4.170 0.026 0.000 0.240 202 I C 2.222 178.308 176.117 -0.052 0.000 1.081 202 I CA 1.399 62.684 61.300 -0.026 0.000 1.353 202 I CB -0.652 37.301 38.000 -0.078 0.000 1.054 202 I HN -0.104 nan 8.210 nan 0.000 0.407 203 M N 0.233 119.811 119.600 -0.036 0.000 2.175 203 M HA -0.152 4.344 4.480 0.026 0.000 0.264 203 M C 2.136 178.524 176.300 0.148 0.000 1.063 203 M CA 1.606 56.891 55.300 -0.026 0.000 1.119 203 M CB -1.211 31.447 32.600 0.097 0.000 1.377 203 M HN 0.255 nan 8.290 nan 0.000 0.415 204 E N 0.156 120.480 120.200 0.207 0.000 2.150 204 E HA -0.136 4.230 4.350 0.026 0.000 0.193 204 E C 2.068 178.879 176.600 0.350 0.000 0.985 204 E CA 1.597 58.186 56.400 0.315 0.000 0.814 204 E CB -0.117 29.754 29.700 0.284 0.000 0.752 204 E HN 0.594 nan 8.360 nan 0.000 0.466 205 S N 1.345 117.185 115.700 0.235 0.000 2.383 205 S HA -0.129 4.357 4.470 0.026 0.000 0.227 205 S C 2.134 176.865 174.600 0.217 0.000 1.026 205 S CA 1.121 59.472 58.200 0.253 0.000 0.981 205 S CB -0.523 62.772 63.200 0.158 0.000 0.818 205 S HN 0.465 nan 8.310 nan 0.000 0.472 206 I N -2.483 118.134 120.570 0.078 0.000 3.941 206 I HA 0.530 4.716 4.170 0.026 0.000 0.321 206 I C 1.754 177.906 176.117 0.059 0.000 1.284 206 I CA 0.425 61.737 61.300 0.021 0.000 1.226 206 I CB -0.107 37.706 38.000 -0.312 0.000 1.045 206 I HN 0.318 nan 8.210 nan 0.000 0.420 207 G N 0.649 109.541 108.800 0.154 0.000 3.104 207 G HA2 0.250 4.225 3.960 0.026 0.000 0.237 207 G HA3 0.250 4.225 3.960 0.026 0.000 0.237 207 G C -0.181 175.149 174.900 0.716 0.000 1.035 207 G CA -0.170 45.075 45.100 0.241 0.000 0.844 207 G HN 0.211 nan 8.290 nan 0.000 0.531 208 N N 0.382 119.416 118.700 0.556 0.000 2.384 208 N HA 0.805 5.560 4.740 0.026 0.000 0.301 208 N C -0.540 174.891 175.510 -0.132 0.000 1.133 208 N CA -0.116 53.131 53.050 0.328 0.000 0.853 208 N CB 2.153 40.837 38.487 0.328 0.000 1.241 208 N HN 0.236 nan 8.380 nan 0.000 0.502 209 A N 0.165 122.853 122.820 -0.219 0.000 2.606 209 A HA 0.484 4.819 4.320 0.026 0.000 0.293 209 A C -1.166 176.363 177.584 -0.093 0.000 1.082 209 A CA -0.724 51.083 52.037 -0.384 0.000 0.685 209 A CB 1.350 20.145 19.000 -0.341 0.000 1.284 209 A HN 0.417 nan 8.150 nan 0.000 0.408 210 K N 1.755 122.145 120.400 -0.017 0.000 2.316 210 K HA 0.394 4.730 4.320 0.026 0.000 0.289 210 K C 0.198 176.794 176.600 -0.006 0.000 1.070 210 K CA 0.491 56.803 56.287 0.042 0.000 0.928 210 K CB 0.357 32.869 32.500 0.019 0.000 1.039 210 K HN 0.959 nan 8.250 nan 0.000 0.480 211 T N -0.143 114.426 114.554 0.025 0.000 2.893 211 T HA 0.134 4.499 4.350 0.026 0.000 0.279 211 T C 1.543 176.207 174.700 -0.061 0.000 0.991 211 T CA -0.100 62.019 62.100 0.033 0.000 0.950 211 T CB 0.840 69.805 68.868 0.162 0.000 1.223 211 T HN 0.560 nan 8.240 nan 0.000 0.585 212 T N -0.959 113.506 114.554 -0.149 0.000 2.929 212 T HA -0.016 4.349 4.350 0.026 0.000 0.271 212 T C 1.459 175.967 174.700 -0.320 0.000 1.085 212 T CA 0.421 62.367 62.100 -0.257 0.000 1.125 212 T CB -0.188 68.477 68.868 -0.338 0.000 0.874 212 T HN 0.501 nan 8.240 nan 0.000 0.494 213 R N 1.022 121.294 120.500 -0.380 0.000 2.437 213 R HA 0.393 4.748 4.340 0.026 0.000 0.257 213 R C 0.092 176.320 176.300 -0.120 0.000 0.927 213 R CA -0.079 55.844 56.100 -0.295 0.000 1.078 213 R CB -0.114 29.952 30.300 -0.390 0.000 1.161 213 R HN 0.392 nan 8.270 nan 0.000 0.529 214 N N 0.518 119.184 118.700 -0.058 0.000 2.554 214 N HA 0.037 4.793 4.740 0.026 0.000 0.271 214 N C -0.759 174.770 175.510 0.033 0.000 1.081 214 N CA -0.084 52.968 53.050 0.004 0.000 0.994 214 N CB 1.619 40.142 38.487 0.060 0.000 1.641 214 N HN -0.311 nan 8.380 nan 0.000 0.511 215 D N 0.811 121.231 120.400 0.034 0.000 2.269 215 D HA -0.008 4.648 4.640 0.026 0.000 0.208 215 D C -0.009 176.389 176.300 0.164 0.000 0.963 215 D CA 1.102 55.138 54.000 0.060 0.000 0.864 215 D CB 0.212 41.025 40.800 0.021 0.000 0.936 215 D HN 0.472 nan 8.370 nan 0.000 0.505 216 N N -0.156 118.650 118.700 0.177 0.000 2.711 216 N HA 0.029 4.784 4.740 0.026 0.000 0.263 216 N C -1.768 173.882 175.510 0.234 0.000 1.667 216 N CA -0.136 53.091 53.050 0.294 0.000 0.785 216 N CB 0.587 39.203 38.487 0.216 0.000 1.231 216 N HN -0.270 nan 8.380 nan 0.000 0.503 217 S N 0.297 116.118 115.700 0.202 0.000 2.462 217 S HA 0.492 4.978 4.470 0.026 0.000 0.294 217 S C -0.253 174.484 174.600 0.228 0.000 1.144 217 S CA -0.333 57.978 58.200 0.185 0.000 1.088 217 S CB 0.462 63.763 63.200 0.168 0.000 1.009 217 S HN 0.301 nan 8.310 nan 0.000 0.484 218 S N 4.458 120.290 115.700 0.219 0.000 2.481 218 S HA 0.286 4.772 4.470 0.026 0.000 0.276 218 S C 0.441 175.249 174.600 0.348 0.000 1.247 218 S CA -0.645 57.704 58.200 0.249 0.000 1.053 218 S CB 0.279 63.454 63.200 -0.043 0.000 0.925 218 S HN 0.581 nan 8.310 nan 0.000 0.491 219 R N 2.905 123.734 120.500 0.549 0.000 2.893 219 R HA 0.306 4.661 4.340 0.026 0.000 0.317 219 R C -0.515 176.191 176.300 0.678 0.000 1.239 219 R CA -0.150 56.294 56.100 0.574 0.000 1.128 219 R CB -1.150 29.471 30.300 0.535 0.000 1.377 219 R HN 0.691 nan 8.270 nan 0.000 0.583 220 F N -4.117 116.017 119.950 0.306 0.000 2.741 220 F HA 0.679 5.222 4.527 0.026 0.000 0.311 220 F C -0.470 175.325 175.800 -0.009 0.000 1.149 220 F CA -1.651 56.446 58.000 0.162 0.000 0.930 220 F CB 0.828 39.893 39.000 0.109 0.000 1.312 220 F HN -0.085 nan 8.300 nan 0.000 0.450 221 G N 1.858 110.592 108.800 -0.111 0.000 2.322 221 G HA2 0.490 4.466 3.960 0.026 0.000 0.309 221 G HA3 0.490 4.466 3.960 0.026 0.000 0.309 221 G C -1.736 173.180 174.900 0.026 0.000 1.121 221 G CA -0.846 44.111 45.100 -0.239 0.000 0.886 221 G HN 0.853 nan 8.290 nan 0.000 0.447 222 K N 1.900 122.233 120.400 -0.112 0.000 2.265 222 K HA 0.409 4.745 4.320 0.026 0.000 0.267 222 K C -1.718 175.014 176.600 0.220 0.000 0.994 222 K CA -0.867 55.505 56.287 0.142 0.000 0.860 222 K CB 1.148 33.682 32.500 0.057 0.000 1.099 222 K HN 0.446 nan 8.250 nan 0.000 0.448 223 Y N 6.308 126.692 120.300 0.140 0.000 2.388 223 Y HA 0.329 4.894 4.550 0.026 0.000 0.328 223 Y C -0.914 175.026 175.900 0.066 0.000 0.963 223 Y CA -1.317 56.852 58.100 0.115 0.000 1.240 223 Y CB 0.762 39.349 38.460 0.210 0.000 1.118 223 Y HN 0.441 nan 8.280 nan 0.000 0.484 224 I N 6.077 126.537 120.570 -0.184 0.000 2.307 224 I HA 0.185 4.371 4.170 0.026 0.000 0.287 224 I C -0.112 175.808 176.117 -0.328 0.000 1.054 224 I CA -0.520 60.672 61.300 -0.179 0.000 1.218 224 I CB 0.762 38.711 38.000 -0.084 0.000 1.398 224 I HN 0.619 nan 8.210 nan 0.000 0.475 225 E N 6.128 126.111 120.200 -0.360 0.000 2.166 225 E HA 0.232 4.597 4.350 0.026 0.000 0.279 225 E C -0.282 176.231 176.600 -0.144 0.000 1.095 225 E CA -0.281 55.904 56.400 -0.359 0.000 0.888 225 E CB 1.075 30.410 29.700 -0.608 0.000 1.041 225 E HN 0.346 nan 8.360 nan 0.000 0.414 226 I N 3.370 123.925 120.570 -0.026 0.000 2.337 226 I HA 0.142 4.327 4.170 0.026 0.000 0.291 226 I C 0.907 176.995 176.117 -0.049 0.000 1.046 226 I CA 0.011 61.267 61.300 -0.074 0.000 1.324 226 I CB 0.593 38.556 38.000 -0.061 0.000 1.409 226 I HN 0.464 nan 8.210 nan 0.000 0.494 227 G N 6.573 115.289 108.800 -0.141 0.000 2.338 227 G HA2 0.534 4.509 3.960 0.026 0.000 0.298 227 G HA3 0.534 4.509 3.960 0.026 0.000 0.298 227 G C -1.039 173.729 174.900 -0.220 0.000 1.140 227 G CA -0.255 44.833 45.100 -0.020 0.000 0.860 227 G HN 0.360 nan 8.290 nan 0.000 0.470 228 F N 1.061 121.088 119.950 0.128 0.000 2.495 228 F HA 0.298 4.841 4.527 0.026 0.000 0.327 228 F C 0.687 176.553 175.800 0.110 0.000 1.103 228 F CA -0.805 57.281 58.000 0.143 0.000 0.949 228 F CB 2.090 41.236 39.000 0.243 0.000 1.142 228 F HN 0.659 nan 8.300 nan 0.000 0.457 229 D N 1.471 121.987 120.400 0.193 0.000 2.325 229 D HA 0.065 4.720 4.640 0.026 0.000 0.262 229 D C 1.071 177.315 176.300 -0.092 0.000 1.263 229 D CA -0.309 53.731 54.000 0.066 0.000 1.020 229 D CB 0.394 41.198 40.800 0.008 0.000 1.117 229 D HN 0.608 nan 8.370 nan 0.000 0.545 230 K N -2.301 117.968 120.400 -0.219 0.000 2.211 230 K HA -0.110 4.226 4.320 0.026 0.000 0.203 230 K C 1.668 177.821 176.600 -0.743 0.000 1.050 230 K CA 1.335 57.294 56.287 -0.548 0.000 0.945 230 K CB -0.654 31.645 32.500 -0.335 0.000 0.732 230 K HN 0.362 nan 8.250 nan 0.000 0.451 231 R N 0.955 121.189 120.500 -0.444 0.000 2.586 231 R HA 0.091 4.447 4.340 0.026 0.000 0.306 231 R C -0.582 175.657 176.300 -0.102 0.000 1.079 231 R CA -0.247 55.669 56.100 -0.307 0.000 1.083 231 R CB -1.580 28.659 30.300 -0.102 0.000 1.306 231 R HN 0.379 nan 8.270 nan 0.000 0.567 232 Y N -1.216 119.151 120.300 0.111 0.000 3.054 232 Y HA -0.298 4.268 4.550 0.026 0.000 0.210 232 Y C 0.646 176.856 175.900 0.517 0.000 1.212 232 Y CA 0.997 59.263 58.100 0.276 0.000 1.118 232 Y CB -2.183 36.253 38.460 -0.039 0.000 1.292 232 Y HN 0.611 nan 8.280 nan 0.000 0.533 233 R N 0.532 121.291 120.500 0.432 0.000 2.540 233 R HA 0.651 5.006 4.340 0.026 0.000 0.287 233 R C 0.019 176.425 176.300 0.176 0.000 0.980 233 R CA -0.866 55.415 56.100 0.301 0.000 0.966 233 R CB 0.730 31.109 30.300 0.131 0.000 1.106 233 R HN 0.293 nan 8.270 nan 0.000 0.480 234 I N 6.457 127.006 120.570 -0.035 0.000 2.452 234 I HA 0.010 4.195 4.170 0.026 0.000 0.287 234 I C 1.427 177.441 176.117 -0.171 0.000 1.079 234 I CA 0.262 61.352 61.300 -0.351 0.000 1.387 234 I CB 0.826 38.632 38.000 -0.323 0.000 1.404 234 I HN 0.728 nan 8.210 nan 0.000 0.522 235 I N 2.788 123.254 120.570 -0.174 0.000 3.339 235 I HA 0.515 4.701 4.170 0.026 0.000 0.285 235 I C 0.941 177.006 176.117 -0.087 0.000 1.201 235 I CA 0.164 61.410 61.300 -0.089 0.000 1.434 235 I CB 0.297 38.268 38.000 -0.048 0.000 1.152 235 I HN 0.623 nan 8.210 nan 0.000 0.443 236 G N 0.754 109.482 108.800 -0.119 0.000 2.348 236 G HA2 0.672 4.648 3.960 0.026 0.000 0.296 236 G HA3 0.672 4.648 3.960 0.026 0.000 0.296 236 G C -2.071 172.773 174.900 -0.093 0.000 1.258 236 G CA -0.170 44.879 45.100 -0.084 0.000 0.868 236 G HN 0.483 nan 8.290 nan 0.000 0.488 237 A N -0.721 122.062 122.820 -0.061 0.000 2.515 237 A HA 0.840 5.176 4.320 0.026 0.000 0.296 237 A C -1.195 176.360 177.584 -0.048 0.000 1.094 237 A CA -0.522 51.472 52.037 -0.073 0.000 0.718 237 A CB 2.137 21.081 19.000 -0.094 0.000 1.307 237 A HN 1.234 nan 8.150 nan 0.000 0.408 238 N N 0.689 119.349 118.700 -0.067 0.000 2.461 238 N HA 0.392 5.147 4.740 0.026 0.000 0.284 238 N C -1.026 174.428 175.510 -0.093 0.000 1.049 238 N CA -0.239 52.784 53.050 -0.046 0.000 0.889 238 N CB 1.171 39.689 38.487 0.052 0.000 1.365 238 N HN 0.706 nan 8.380 nan 0.000 0.499 239 M N 3.476 123.010 119.600 -0.109 0.000 2.120 239 M HA 0.353 4.848 4.480 0.026 0.000 0.354 239 M C -0.557 175.729 176.300 -0.024 0.000 1.287 239 M CA -0.271 54.997 55.300 -0.053 0.000 1.103 239 M CB 0.261 32.821 32.600 -0.067 0.000 1.623 239 M HN 0.393 nan 8.290 nan 0.000 0.471 240 R N 2.553 123.087 120.500 0.058 0.000 2.532 240 R HA 0.561 4.917 4.340 0.026 0.000 0.295 240 R C -0.455 175.837 176.300 -0.015 0.000 0.968 240 R CA -0.570 55.521 56.100 -0.014 0.000 0.916 240 R CB 1.711 32.050 30.300 0.065 0.000 1.124 240 R HN 0.678 nan 8.270 nan 0.000 0.463 241 T N -0.747 113.666 114.554 -0.236 0.000 2.887 241 T HA 0.625 4.990 4.350 0.026 0.000 0.288 241 T C -0.903 173.536 174.700 -0.435 0.000 1.021 241 T CA -0.757 61.318 62.100 -0.041 0.000 1.000 241 T CB 1.035 70.075 68.868 0.287 0.000 1.034 241 T HN 0.453 nan 8.240 nan 0.000 0.467 242 Y N 0.675 121.047 120.300 0.121 0.000 2.588 242 Y HA 0.583 5.148 4.550 0.026 0.000 0.343 242 Y C 0.488 176.377 175.900 -0.019 0.000 1.065 242 Y CA -1.864 56.222 58.100 -0.023 0.000 1.038 242 Y CB 1.718 40.111 38.460 -0.111 0.000 1.297 242 Y HN 0.736 nan 8.280 nan 0.000 0.467 243 L N 0.328 121.565 121.223 0.023 0.000 4.040 243 L HA -0.240 4.116 4.340 0.026 0.000 0.410 243 L C -0.470 176.560 176.870 0.267 0.000 1.187 243 L CA -0.027 54.787 54.840 -0.044 0.000 0.956 243 L CB -1.484 40.558 42.059 -0.029 0.000 2.022 243 L HN 0.470 nan 8.230 nan 0.000 0.897 244 L N 1.591 122.896 121.223 0.137 0.000 2.490 244 L HA 0.102 4.457 4.340 0.026 0.000 0.274 244 L C 1.198 178.218 176.870 0.249 0.000 1.201 244 L CA 0.733 55.628 54.840 0.091 0.000 0.869 244 L CB 0.635 42.492 42.059 -0.337 0.000 1.123 244 L HN 0.157 nan 8.230 nan 0.000 0.484 245 E N 4.112 124.520 120.200 0.346 0.000 1.775 245 E HA 0.003 4.369 4.350 0.026 0.000 0.266 245 E C 0.641 177.431 176.600 0.316 0.000 1.191 245 E CA 0.024 56.633 56.400 0.348 0.000 1.048 245 E CB 0.234 30.140 29.700 0.343 0.000 1.081 245 E HN 0.630 nan 8.360 nan 0.000 0.434 246 K N 0.662 121.207 120.400 0.241 0.000 2.103 246 K HA -0.175 4.160 4.320 0.026 0.000 0.207 246 K C 2.101 178.779 176.600 0.131 0.000 1.048 246 K CA 1.567 57.960 56.287 0.176 0.000 0.930 246 K CB -0.026 32.565 32.500 0.152 0.000 0.716 246 K HN 0.410 nan 8.250 nan 0.000 0.444 247 S N 1.235 117.018 115.700 0.138 0.000 2.400 247 S HA -0.224 4.262 4.470 0.026 0.000 0.232 247 S C 2.018 176.661 174.600 0.070 0.000 1.025 247 S CA 1.233 59.472 58.200 0.064 0.000 0.993 247 S CB -0.316 62.921 63.200 0.061 0.000 0.808 247 S HN 0.302 nan 8.310 nan 0.000 0.478 248 R N 0.921 121.472 120.500 0.085 0.000 2.148 248 R HA -0.002 4.353 4.340 0.026 0.000 0.227 248 R C 1.902 178.130 176.300 -0.120 0.000 1.103 248 R CA 1.166 57.254 56.100 -0.021 0.000 0.983 248 R CB -0.553 29.641 30.300 -0.176 0.000 0.874 248 R HN 0.389 nan 8.270 nan 0.000 0.451 249 V N 0.573 120.436 119.914 -0.084 0.000 2.380 249 V HA -0.227 3.908 4.120 0.026 0.000 0.251 249 V C 2.015 177.777 176.094 -0.552 0.000 1.063 249 V CA 1.956 64.090 62.300 -0.276 0.000 1.055 249 V CB 0.004 31.665 31.823 -0.269 0.000 0.657 249 V HN 0.517 nan 8.190 nan 0.000 0.455 250 V N -5.299 114.337 119.914 -0.463 0.000 3.556 250 V HA 0.469 4.605 4.120 0.026 0.000 0.287 250 V C 0.031 176.007 176.094 -0.197 0.000 1.422 250 V CA -0.215 61.697 62.300 -0.646 0.000 1.038 250 V CB 0.324 31.838 31.823 -0.514 0.000 0.850 250 V HN 0.271 nan 8.190 nan 0.000 0.437 251 F N 1.509 121.318 119.950 -0.236 0.000 2.574 251 F HA 0.826 5.369 4.527 0.026 0.000 0.313 251 F C -1.085 174.647 175.800 -0.113 0.000 1.130 251 F CA -0.525 57.391 58.000 -0.140 0.000 0.936 251 F CB 2.115 41.058 39.000 -0.094 0.000 1.219 251 F HN 0.036 nan 8.300 nan 0.000 0.445 252 Q N 4.301 123.523 119.800 -0.963 0.000 2.375 252 Q HA 0.787 5.143 4.340 0.026 0.000 0.271 252 Q C -0.691 174.618 176.000 -1.150 0.000 1.074 252 Q CA -0.853 54.498 55.803 -0.754 0.000 0.808 252 Q CB 2.208 30.744 28.738 -0.336 0.000 1.327 252 Q HN 0.837 nan 8.270 nan 0.000 0.441 253 A N 0.989 123.512 122.820 -0.496 0.000 2.280 253 A HA 0.422 4.757 4.320 0.026 0.000 0.268 253 A C -0.176 177.328 177.584 -0.135 0.000 1.111 253 A CA -0.391 51.544 52.037 -0.169 0.000 0.814 253 A CB 0.226 19.331 19.000 0.175 0.000 1.093 253 A HN 0.722 nan 8.150 nan 0.000 0.498 254 E N 0.501 120.673 120.200 -0.047 0.000 2.558 254 E HA 0.074 4.439 4.350 0.026 0.000 0.255 254 E C 0.060 176.635 176.600 -0.041 0.000 0.968 254 E CA 1.049 57.426 56.400 -0.039 0.000 0.939 254 E CB -0.120 29.578 29.700 -0.003 0.000 0.921 254 E HN 0.545 nan 8.360 nan 0.000 0.477 255 E N 1.509 121.677 120.200 -0.053 0.000 3.413 255 E HA -0.214 4.152 4.350 0.026 0.000 0.300 255 E C -0.833 175.726 176.600 -0.068 0.000 0.891 255 E CA 1.137 57.502 56.400 -0.059 0.000 1.050 255 E CB -1.145 28.520 29.700 -0.059 0.000 1.534 255 E HN 0.741 nan 8.360 nan 0.000 0.436 256 E N 0.030 120.186 120.200 -0.073 0.000 2.221 256 E HA 0.538 4.904 4.350 0.026 0.000 0.268 256 E C 0.275 176.818 176.600 -0.095 0.000 0.933 256 E CA -0.734 55.622 56.400 -0.074 0.000 0.809 256 E CB 1.806 31.479 29.700 -0.045 0.000 1.190 256 E HN 0.004 nan 8.360 nan 0.000 0.406 257 R N 1.104 121.541 120.500 -0.104 0.000 2.873 257 R HA 0.323 4.679 4.340 0.026 0.000 0.264 257 R C 0.180 176.467 176.300 -0.022 0.000 1.026 257 R CA -0.971 55.081 56.100 -0.080 0.000 1.002 257 R CB 1.043 31.139 30.300 -0.339 0.000 1.174 257 R HN 0.428 nan 8.270 nan 0.000 0.488 258 N N 0.437 119.250 118.700 0.188 0.000 2.263 258 N HA -0.025 4.731 4.740 0.026 0.000 0.239 258 N C -0.635 174.965 175.510 0.150 0.000 1.317 258 N CA 0.294 53.389 53.050 0.075 0.000 0.909 258 N CB 0.239 38.765 38.487 0.065 0.000 1.171 258 N HN 0.229 nan 8.380 nan 0.000 0.492 259 Y N 1.338 121.822 120.300 0.307 0.000 2.805 259 Y HA -0.083 4.482 4.550 0.026 0.000 0.337 259 Y C 2.014 178.139 175.900 0.374 0.000 1.252 259 Y CA 0.329 58.571 58.100 0.236 0.000 1.515 259 Y CB 0.150 38.761 38.460 0.252 0.000 1.305 259 Y HN 0.516 nan 8.280 nan 0.000 0.600 260 H N 1.873 121.226 119.070 0.472 0.000 2.394 260 H HA -0.208 4.363 4.556 0.026 0.000 0.297 260 H C 2.218 177.761 175.328 0.358 0.000 1.113 260 H CA 2.094 58.380 56.048 0.396 0.000 1.277 260 H CB -0.238 29.680 29.762 0.260 0.000 1.370 260 H HN 0.742 nan 8.280 nan 0.000 0.506 261 I N 0.584 121.355 120.570 0.335 0.000 2.335 261 I HA -0.252 3.933 4.170 0.026 0.000 0.251 261 I C 1.777 177.913 176.117 0.032 0.000 1.129 261 I CA 0.999 62.373 61.300 0.123 0.000 1.402 261 I CB -0.454 37.538 38.000 -0.013 0.000 1.069 261 I HN -0.073 nan 8.210 nan 0.000 0.424 262 F N -0.504 119.527 119.950 0.136 0.000 2.186 262 F HA -0.193 4.349 4.527 0.026 0.000 0.299 262 F C 2.050 177.710 175.800 -0.233 0.000 1.090 262 F CA 1.613 59.544 58.000 -0.116 0.000 1.307 262 F CB -1.065 37.765 39.000 -0.284 0.000 1.019 262 F HN 0.111 nan 8.300 nan 0.000 0.489 263 Y N -0.411 120.063 120.300 0.289 0.000 2.337 263 Y HA -0.115 4.450 4.550 0.026 0.000 0.293 263 Y C 2.387 178.364 175.900 0.129 0.000 1.123 263 Y CA 0.713 58.931 58.100 0.195 0.000 1.201 263 Y CB -0.947 37.625 38.460 0.187 0.000 1.011 263 Y HN 0.053 nan 8.280 nan 0.000 0.545 264 Q N -0.252 119.694 119.800 0.244 0.000 2.096 264 Q HA -0.221 4.135 4.340 0.026 0.000 0.204 264 Q C 2.140 178.155 176.000 0.025 0.000 0.982 264 Q CA 1.791 57.669 55.803 0.125 0.000 0.850 264 Q CB -0.366 28.441 28.738 0.116 0.000 0.901 264 Q HN 0.422 nan 8.270 nan 0.000 0.422 265 L N -0.277 120.923 121.223 -0.040 0.000 2.072 265 L HA -0.112 4.244 4.340 0.026 0.000 0.205 265 L C 2.137 178.956 176.870 -0.086 0.000 1.079 265 L CA 1.499 56.220 54.840 -0.198 0.000 0.752 265 L CB -0.436 41.478 42.059 -0.241 0.000 0.906 265 L HN 0.256 nan 8.230 nan 0.000 0.436 266 C N -0.607 118.702 119.300 0.015 0.000 2.435 266 C HA -0.021 4.455 4.460 0.026 0.000 0.279 266 C C 2.909 177.961 174.990 0.103 0.000 1.321 266 C CA 0.606 59.677 59.018 0.088 0.000 1.752 266 C CB -1.447 26.380 27.740 0.144 0.000 1.959 266 C HN 0.667 nan 8.230 nan 0.000 0.500 267 A N -0.185 122.701 122.820 0.109 0.000 2.067 267 A HA -0.033 4.303 4.320 0.026 0.000 0.217 267 A C 2.018 179.657 177.584 0.091 0.000 1.156 267 A CA 1.384 53.484 52.037 0.105 0.000 0.683 267 A CB -0.349 18.719 19.000 0.114 0.000 0.808 267 A HN 0.524 nan 8.150 nan 0.000 0.455 268 S N -0.014 115.744 115.700 0.097 0.000 2.660 268 S HA 0.355 4.841 4.470 0.026 0.000 0.227 268 S C 1.680 176.410 174.600 0.217 0.000 0.948 268 S CA 0.336 58.630 58.200 0.156 0.000 0.948 268 S CB 0.104 63.442 63.200 0.230 0.000 0.779 268 S HN 0.699 nan 8.310 nan 0.000 0.487 269 A N 1.419 124.320 122.820 0.135 0.000 2.019 269 A HA 0.117 4.452 4.320 0.026 0.000 0.219 269 A C 2.099 179.758 177.584 0.126 0.000 1.164 269 A CA 1.479 53.594 52.037 0.129 0.000 0.644 269 A CB -0.486 18.567 19.000 0.087 0.000 0.805 269 A HN 0.556 nan 8.150 nan 0.000 0.449 270 A N -0.945 121.930 122.820 0.091 0.000 2.238 270 A HA 0.459 4.794 4.320 0.026 0.000 0.210 270 A C 0.771 178.374 177.584 0.032 0.000 1.179 270 A CA -0.381 51.687 52.037 0.052 0.000 0.827 270 A CB -0.255 18.764 19.000 0.031 0.000 0.856 270 A HN 0.394 nan 8.150 nan 0.000 0.488 271 L N 0.529 121.773 121.223 0.036 0.000 2.559 271 L HA 0.038 4.393 4.340 0.026 0.000 0.274 271 L C -1.380 175.436 176.870 -0.090 0.000 1.205 271 L CA -1.150 53.649 54.840 -0.069 0.000 0.907 271 L CB 0.541 42.481 42.059 -0.198 0.000 1.153 271 L HN 0.118 nan 8.230 nan 0.000 0.490 272 P HA -0.231 nan 4.420 nan 0.000 0.216 272 P C 1.178 178.425 177.300 -0.088 0.000 1.153 272 P CA 1.183 64.240 63.100 -0.072 0.000 0.858 272 P CB 0.040 31.697 31.700 -0.072 0.000 0.789 273 E N -1.337 118.739 120.200 -0.207 0.000 2.472 273 E HA -0.118 4.247 4.350 0.026 0.000 0.200 273 E C 0.584 177.138 176.600 -0.077 0.000 1.046 273 E CA 0.979 57.254 56.400 -0.209 0.000 0.871 273 E CB -0.666 28.833 29.700 -0.334 0.000 0.806 273 E HN 0.261 nan 8.360 nan 0.000 0.533 274 F N 0.944 120.888 119.950 -0.010 0.000 2.688 274 F HA 0.338 4.880 4.527 0.026 0.000 0.310 274 F C 1.884 177.687 175.800 0.005 0.000 1.098 274 F CA -1.097 56.899 58.000 -0.006 0.000 1.228 274 F CB 0.180 39.157 39.000 -0.037 0.000 1.042 274 F HN -0.071 nan 8.300 nan 0.000 0.557 275 K N 0.729 121.220 120.400 0.153 0.000 2.113 275 K HA -0.204 4.131 4.320 0.026 0.000 0.208 275 K C 1.919 178.565 176.600 0.077 0.000 1.047 275 K CA 2.167 58.507 56.287 0.088 0.000 0.928 275 K CB -0.074 32.450 32.500 0.040 0.000 0.716 275 K HN 0.354 nan 8.250 nan 0.000 0.446 276 T N -0.913 113.688 114.554 0.077 0.000 3.035 276 T HA -0.054 4.311 4.350 0.026 0.000 0.268 276 T C 1.628 176.359 174.700 0.052 0.000 1.109 276 T CA 0.426 62.551 62.100 0.042 0.000 1.119 276 T CB -0.024 68.857 68.868 0.020 0.000 0.900 276 T HN 0.009 nan 8.240 nan 0.000 0.503 277 L N 0.525 121.810 121.223 0.102 0.000 2.291 277 L HA 0.317 4.673 4.340 0.026 0.000 0.214 277 L C 1.316 178.319 176.870 0.223 0.000 1.120 277 L CA 0.692 55.610 54.840 0.130 0.000 0.799 277 L CB -1.423 40.678 42.059 0.071 0.000 0.925 277 L HN 0.335 nan 8.230 nan 0.000 0.446 278 R N -0.236 120.352 120.500 0.146 0.000 3.146 278 R HA -0.185 4.171 4.340 0.026 0.000 0.250 278 R C -0.746 175.724 176.300 0.283 0.000 0.912 278 R CA 0.127 56.300 56.100 0.121 0.000 0.633 278 R CB -1.873 28.425 30.300 -0.003 0.000 1.180 278 R HN 0.206 nan 8.270 nan 0.000 0.464 279 L N -0.149 121.212 121.223 0.229 0.000 2.334 279 L HA 0.555 4.911 4.340 0.026 0.000 0.277 279 L C 1.527 178.452 176.870 0.092 0.000 1.075 279 L CA -0.181 54.840 54.840 0.302 0.000 0.804 279 L CB 1.449 43.621 42.059 0.187 0.000 1.174 279 L HN 0.297 nan 8.230 nan 0.000 0.438 280 G N 0.750 109.529 108.800 -0.034 0.000 2.568 280 G HA2 0.289 4.264 3.960 0.026 0.000 0.293 280 G HA3 0.289 4.264 3.960 0.026 0.000 0.293 280 G C -0.415 174.506 174.900 0.035 0.000 1.347 280 G CA -0.716 44.215 45.100 -0.282 0.000 1.039 280 G HN 0.729 nan 8.290 nan 0.000 0.523 281 N N -1.142 117.576 118.700 0.030 0.000 2.288 281 N HA 0.313 5.069 4.740 0.026 0.000 0.237 281 N C 1.290 176.919 175.510 0.199 0.000 1.311 281 N CA 0.317 53.439 53.050 0.120 0.000 0.909 281 N CB 0.639 39.182 38.487 0.093 0.000 1.167 281 N HN 0.500 nan 8.380 nan 0.000 0.476 282 A N 0.121 123.073 122.820 0.220 0.000 2.019 282 A HA -0.187 4.149 4.320 0.026 0.000 0.219 282 A C 1.500 179.217 177.584 0.221 0.000 1.164 282 A CA 1.212 53.399 52.037 0.250 0.000 0.644 282 A CB -0.744 18.483 19.000 0.380 0.000 0.805 282 A HN 0.735 nan 8.150 nan 0.000 0.449 283 N N -1.732 117.067 118.700 0.166 0.000 2.515 283 N HA -0.074 4.681 4.740 0.026 0.000 0.185 283 N C 1.154 176.691 175.510 0.046 0.000 1.109 283 N CA 0.716 53.828 53.050 0.103 0.000 0.903 283 N CB -0.447 38.087 38.487 0.078 0.000 0.969 283 N HN 0.691 nan 8.380 nan 0.000 0.450 284 Y N 0.261 120.486 120.300 -0.126 0.000 2.263 284 Y HA 0.030 4.595 4.550 0.026 0.000 0.292 284 Y C -0.043 175.601 175.900 -0.427 0.000 1.130 284 Y CA 0.844 58.730 58.100 -0.356 0.000 1.179 284 Y CB 0.023 38.100 38.460 -0.638 0.000 0.998 284 Y HN -0.204 nan 8.280 nan 0.000 0.532 285 F N -0.501 119.461 119.950 0.019 0.000 2.420 285 F HA 0.225 4.768 4.527 0.026 0.000 0.342 285 F C 1.398 177.150 175.800 -0.079 0.000 1.113 285 F CA -0.886 57.072 58.000 -0.071 0.000 1.059 285 F CB 0.811 39.767 39.000 -0.073 0.000 1.128 285 F HN -0.036 nan 8.300 nan 0.000 0.475 286 H N 2.683 121.731 119.070 -0.036 0.000 2.357 286 H HA -0.259 4.312 4.556 0.026 0.000 0.296 286 H C 1.397 176.756 175.328 0.052 0.000 1.108 286 H CA 2.244 58.252 56.048 -0.068 0.000 1.273 286 H CB -0.112 29.541 29.762 -0.181 0.000 1.367 286 H HN 0.550 nan 8.280 nan 0.000 0.498 287 Y N -0.104 120.065 120.300 -0.219 0.000 2.561 287 Y HA 0.028 4.593 4.550 0.026 0.000 0.291 287 Y C 2.196 177.873 175.900 -0.371 0.000 1.141 287 Y CA 1.298 59.160 58.100 -0.397 0.000 1.303 287 Y CB -0.506 37.698 38.460 -0.426 0.000 1.015 287 Y HN 0.511 nan 8.280 nan 0.000 0.547 288 T N -3.932 110.576 114.554 -0.077 0.000 3.040 288 T HA 0.104 4.470 4.350 0.026 0.000 0.266 288 T C 1.295 176.062 174.700 0.113 0.000 1.005 288 T CA -0.191 61.873 62.100 -0.060 0.000 0.906 288 T CB 0.047 68.754 68.868 -0.268 0.000 1.082 288 T HN 0.371 nan 8.240 nan 0.000 0.531 289 K N 0.854 121.287 120.400 0.054 0.000 2.355 289 K HA 0.261 4.596 4.320 0.026 0.000 0.198 289 K C 1.680 178.286 176.600 0.010 0.000 1.039 289 K CA -0.140 56.187 56.287 0.066 0.000 1.075 289 K CB 0.081 32.615 32.500 0.057 0.000 0.870 289 K HN 0.192 nan 8.250 nan 0.000 0.540 290 Q N 0.804 120.569 119.800 -0.058 0.000 2.226 290 Q HA -0.042 4.314 4.340 0.026 0.000 0.204 290 Q C 1.839 177.762 176.000 -0.128 0.000 0.975 290 Q CA 1.548 57.279 55.803 -0.119 0.000 0.866 290 Q CB 0.012 28.590 28.738 -0.266 0.000 0.915 290 Q HN 0.591 nan 8.270 nan 0.000 0.440 291 G N -0.612 108.123 108.800 -0.107 0.000 2.880 291 G HA2 0.161 4.136 3.960 0.026 0.000 0.209 291 G HA3 0.161 4.136 3.960 0.026 0.000 0.209 291 G C 0.876 175.747 174.900 -0.048 0.000 1.157 291 G CA 0.212 45.255 45.100 -0.096 0.000 0.779 291 G HN 0.441 nan 8.290 nan 0.000 0.539 292 G N -0.264 108.524 108.800 -0.020 0.000 2.283 292 G HA2 -0.192 3.784 3.960 0.026 0.000 0.280 292 G HA3 -0.192 3.784 3.960 0.026 0.000 0.280 292 G C 0.425 175.321 174.900 -0.007 0.000 1.029 292 G CA 0.782 45.880 45.100 -0.003 0.000 0.840 292 G HN 1.167 nan 8.290 nan 0.000 0.505 293 S N 0.157 115.848 115.700 -0.015 0.000 2.300 293 S HA 0.574 5.060 4.470 0.026 0.000 0.172 293 S C -0.306 174.253 174.600 -0.069 0.000 1.484 293 S CA -0.194 57.979 58.200 -0.045 0.000 1.265 293 S CB 0.967 64.121 63.200 -0.076 0.000 1.313 293 S HN 0.165 nan 8.310 nan 0.000 0.387 294 P HA 0.002 nan 4.420 nan 0.000 0.220 294 P C 0.177 177.460 177.300 -0.028 0.000 1.148 294 P CA 0.741 63.882 63.100 0.068 0.000 0.803 294 P CB 0.149 31.937 31.700 0.146 0.000 0.782 295 V N 1.049 120.942 119.914 -0.035 0.000 2.540 295 V HA 0.318 4.454 4.120 0.026 0.000 0.302 295 V C 0.314 176.376 176.094 -0.054 0.000 1.035 295 V CA -0.858 61.426 62.300 -0.027 0.000 0.873 295 V CB 2.288 34.115 31.823 0.007 0.000 0.992 295 V HN -0.161 nan 8.190 nan 0.000 0.428 296 I N 3.254 123.791 120.570 -0.056 0.000 2.359 296 I HA 0.338 4.524 4.170 0.026 0.000 0.294 296 I C -0.182 175.917 176.117 -0.030 0.000 0.987 296 I CA -0.642 60.629 61.300 -0.049 0.000 1.225 296 I CB 1.396 39.364 38.000 -0.053 0.000 1.366 296 I HN 0.513 nan 8.210 nan 0.000 0.466 297 D N 4.931 125.316 120.400 -0.025 0.000 2.458 297 D HA 0.206 4.862 4.640 0.026 0.000 0.243 297 D C 1.117 177.408 176.300 -0.014 0.000 1.146 297 D CA 1.232 55.222 54.000 -0.015 0.000 0.877 297 D CB 1.086 41.878 40.800 -0.013 0.000 1.176 297 D HN 0.898 nan 8.370 nan 0.000 0.461 298 G N 2.011 110.806 108.800 -0.008 0.000 2.199 298 G HA2 -0.229 3.746 3.960 0.026 0.000 0.254 298 G HA3 -0.229 3.746 3.960 0.026 0.000 0.254 298 G C 0.248 175.143 174.900 -0.008 0.000 0.982 298 G CA -0.241 44.856 45.100 -0.006 0.000 0.632 298 G HN 0.465 nan 8.290 nan 0.000 0.529 299 I N 1.360 121.921 120.570 -0.015 0.000 2.378 299 I HA 0.412 4.598 4.170 0.026 0.000 0.291 299 I C -0.874 175.240 176.117 -0.005 0.000 0.992 299 I CA -1.151 60.136 61.300 -0.022 0.000 1.154 299 I CB 1.630 39.598 38.000 -0.053 0.000 1.315 299 I HN 0.040 nan 8.210 nan 0.000 0.448 300 D N 5.731 126.133 120.400 0.003 0.000 2.473 300 D HA 0.163 4.819 4.640 0.026 0.000 0.226 300 D C 0.709 177.026 176.300 0.028 0.000 1.089 300 D CA -0.209 53.803 54.000 0.020 0.000 0.883 300 D CB 1.004 41.816 40.800 0.020 0.000 1.029 300 D HN 0.348 nan 8.370 nan 0.000 0.517 301 D N 2.624 123.052 120.400 0.047 0.000 2.178 301 D HA -0.154 4.501 4.640 0.026 0.000 0.201 301 D C 1.715 178.059 176.300 0.074 0.000 0.980 301 D CA 0.859 54.904 54.000 0.074 0.000 0.842 301 D CB 0.272 41.154 40.800 0.137 0.000 0.948 301 D HN 0.554 nan 8.370 nan 0.000 0.472 302 A N 1.332 124.192 122.820 0.067 0.000 1.933 302 A HA -0.199 4.136 4.320 0.026 0.000 0.218 302 A C 2.369 179.981 177.584 0.046 0.000 1.175 302 A CA 2.744 54.816 52.037 0.059 0.000 0.628 302 A CB -0.734 18.298 19.000 0.053 0.000 0.814 302 A HN 0.328 nan 8.150 nan 0.000 0.444 303 K N -0.179 120.244 120.400 0.038 0.000 2.097 303 K HA -0.078 4.258 4.320 0.026 0.000 0.205 303 K C 1.716 178.337 176.600 0.035 0.000 1.050 303 K CA 1.626 57.932 56.287 0.031 0.000 0.938 303 K CB -0.579 31.935 32.500 0.024 0.000 0.718 303 K HN 0.579 nan 8.250 nan 0.000 0.442 304 E N -0.347 119.875 120.200 0.037 0.000 2.152 304 E HA -0.104 4.261 4.350 0.026 0.000 0.192 304 E C 2.069 178.706 176.600 0.062 0.000 0.983 304 E CA 1.310 57.734 56.400 0.040 0.000 0.818 304 E CB -0.193 29.521 29.700 0.023 0.000 0.758 304 E HN 0.553 nan 8.360 nan 0.000 0.467 305 M N 0.819 120.458 119.600 0.065 0.000 2.108 305 M HA -0.135 4.361 4.480 0.026 0.000 0.261 305 M C 2.097 178.444 176.300 0.079 0.000 1.066 305 M CA 1.214 56.556 55.300 0.069 0.000 1.107 305 M CB -0.435 32.192 32.600 0.045 0.000 1.356 305 M HN -0.096 nan 8.290 nan 0.000 0.406 306 V N 0.953 120.903 119.914 0.060 0.000 2.287 306 V HA -0.302 3.833 4.120 0.026 0.000 0.248 306 V C 2.451 178.582 176.094 0.062 0.000 1.053 306 V CA 2.131 64.463 62.300 0.053 0.000 1.027 306 V CB -1.171 30.672 31.823 0.033 0.000 0.646 306 V HN 0.554 nan 8.190 nan 0.000 0.447 307 N N 0.070 118.803 118.700 0.056 0.000 2.069 307 N HA -0.167 4.588 4.740 0.026 0.000 0.191 307 N C 1.918 177.470 175.510 0.069 0.000 1.031 307 N CA 2.181 55.264 53.050 0.054 0.000 0.852 307 N CB -0.311 38.204 38.487 0.046 0.000 1.018 307 N HN 0.495 nan 8.380 nan 0.000 0.423 308 T N 1.180 115.789 114.554 0.092 0.000 2.708 308 T HA -0.070 4.295 4.350 0.026 0.000 0.266 308 T C 2.029 176.814 174.700 0.142 0.000 1.037 308 T CA 1.026 63.196 62.100 0.116 0.000 1.146 308 T CB -0.022 68.939 68.868 0.155 0.000 0.865 308 T HN 0.312 nan 8.240 nan 0.000 0.435 309 R N 0.785 121.392 120.500 0.178 0.000 2.075 309 R HA -0.032 4.324 4.340 0.026 0.000 0.232 309 R C 2.798 179.168 176.300 0.118 0.000 1.126 309 R CA 1.219 57.441 56.100 0.203 0.000 0.963 309 R CB -0.227 30.205 30.300 0.221 0.000 0.858 309 R HN 0.504 nan 8.270 nan 0.000 0.435 310 Q N 0.063 119.914 119.800 0.084 0.000 2.096 310 Q HA -0.155 4.200 4.340 0.026 0.000 0.204 310 Q C 2.216 178.242 176.000 0.043 0.000 0.982 310 Q CA 1.729 57.564 55.803 0.055 0.000 0.850 310 Q CB -0.171 28.592 28.738 0.042 0.000 0.901 310 Q HN 0.383 nan 8.270 nan 0.000 0.422 311 A N 0.068 122.914 122.820 0.044 0.000 1.930 311 A HA -0.178 4.158 4.320 0.026 0.000 0.217 311 A C 2.304 179.897 177.584 0.016 0.000 1.175 311 A CA 1.146 53.197 52.037 0.024 0.000 0.627 311 A CB -0.897 18.117 19.000 0.023 0.000 0.815 311 A HN 0.489 nan 8.150 nan 0.000 0.443 312 C N -1.027 118.293 119.300 0.033 0.000 2.429 312 C HA -0.090 4.385 4.460 0.026 0.000 0.277 312 C C 3.076 178.080 174.990 0.024 0.000 1.262 312 C CA 1.678 60.708 59.018 0.020 0.000 1.733 312 C CB -1.402 26.361 27.740 0.037 0.000 2.010 312 C HN 0.654 nan 8.230 nan 0.000 0.483 313 T N 1.103 115.681 114.554 0.040 0.000 2.777 313 T HA -0.111 4.254 4.350 0.026 0.000 0.266 313 T C 1.692 176.402 174.700 0.018 0.000 1.040 313 T CA 1.122 63.244 62.100 0.036 0.000 1.141 313 T CB -0.300 68.594 68.868 0.042 0.000 0.868 313 T HN 0.454 nan 8.240 nan 0.000 0.444 314 L N 0.058 121.288 121.223 0.012 0.000 2.191 314 L HA 0.002 4.358 4.340 0.026 0.000 0.212 314 L C 1.561 178.422 176.870 -0.015 0.000 1.103 314 L CA 0.889 55.729 54.840 -0.000 0.000 0.769 314 L CB -0.202 41.856 42.059 -0.001 0.000 0.908 314 L HN 0.232 nan 8.230 nan 0.000 0.438 315 L N -0.996 120.214 121.223 -0.021 0.000 2.700 315 L HA 0.259 4.614 4.340 0.026 0.000 0.234 315 L C 1.266 178.111 176.870 -0.043 0.000 1.156 315 L CA 0.568 55.382 54.840 -0.044 0.000 0.946 315 L CB 0.328 42.349 42.059 -0.064 0.000 1.216 315 L HN 0.254 nan 8.230 nan 0.000 0.493 316 G N 0.064 108.855 108.800 -0.015 0.000 2.157 316 G HA2 -0.261 3.714 3.960 0.026 0.000 0.248 316 G HA3 -0.261 3.714 3.960 0.026 0.000 0.248 316 G C 0.308 175.226 174.900 0.030 0.000 0.979 316 G CA -0.308 44.792 45.100 0.000 0.000 0.650 316 G HN 0.252 nan 8.290 nan 0.000 0.529 317 I N 3.051 123.640 120.570 0.031 0.000 2.347 317 I HA 0.287 4.472 4.170 0.026 0.000 0.294 317 I C 1.478 177.665 176.117 0.117 0.000 1.090 317 I CA 0.091 61.435 61.300 0.074 0.000 1.314 317 I CB 0.839 38.860 38.000 0.034 0.000 1.423 317 I HN 0.404 nan 8.210 nan 0.000 0.503 318 S N 3.818 119.626 115.700 0.180 0.000 2.560 318 S HA -0.036 4.449 4.470 0.026 0.000 0.276 318 S C 0.829 175.502 174.600 0.121 0.000 1.350 318 S CA -0.379 57.906 58.200 0.141 0.000 1.024 318 S CB 0.823 64.110 63.200 0.145 0.000 0.864 318 S HN 0.560 nan 8.310 nan 0.000 0.536 319 D N 1.271 121.718 120.400 0.078 0.000 2.178 319 D HA -0.072 4.584 4.640 0.026 0.000 0.202 319 D C 2.294 178.635 176.300 0.069 0.000 0.974 319 D CA 1.630 55.676 54.000 0.078 0.000 0.841 319 D CB -0.687 40.148 40.800 0.059 0.000 0.953 319 D HN 0.737 nan 8.370 nan 0.000 0.478 320 S N -0.111 115.601 115.700 0.020 0.000 2.368 320 S HA -0.205 4.281 4.470 0.026 0.000 0.224 320 S C 2.107 176.696 174.600 -0.018 0.000 1.029 320 S CA 0.618 58.800 58.200 -0.029 0.000 0.988 320 S CB -0.771 62.353 63.200 -0.128 0.000 0.838 320 S HN 0.141 nan 8.310 nan 0.000 0.462 321 Y N 2.389 122.683 120.300 -0.009 0.000 2.293 321 Y HA 0.044 4.610 4.550 0.026 0.000 0.291 321 Y C 2.874 178.659 175.900 -0.192 0.000 1.137 321 Y CA 0.840 58.889 58.100 -0.085 0.000 1.202 321 Y CB -0.780 37.709 38.460 0.047 0.000 0.990 321 Y HN 0.406 nan 8.280 nan 0.000 0.537 322 Q N -1.194 118.619 119.800 0.020 0.000 2.050 322 Q HA -0.212 4.144 4.340 0.026 0.000 0.202 322 Q C 2.156 177.979 176.000 -0.294 0.000 0.980 322 Q CA 1.493 57.170 55.803 -0.209 0.000 0.840 322 Q CB -0.177 28.562 28.738 0.001 0.000 0.898 322 Q HN 0.363 nan 8.270 nan 0.000 0.424 323 M N -0.534 119.109 119.600 0.073 0.000 2.213 323 M HA -0.087 4.409 4.480 0.026 0.000 0.263 323 M C 2.125 178.501 176.300 0.126 0.000 1.062 323 M CA 1.377 56.823 55.300 0.243 0.000 1.105 323 M CB -1.115 31.614 32.600 0.215 0.000 1.385 323 M HN 0.319 nan 8.290 nan 0.000 0.417 324 G N 0.155 108.988 108.800 0.055 0.000 2.394 324 G HA2 -0.117 3.858 3.960 0.026 0.000 0.215 324 G HA3 -0.117 3.858 3.960 0.026 0.000 0.215 324 G C 1.676 176.535 174.900 -0.069 0.000 1.165 324 G CA 0.266 45.446 45.100 0.132 0.000 0.784 324 G HN 0.413 nan 8.290 nan 0.000 0.535 325 I N 0.075 120.438 120.570 -0.346 0.000 2.163 325 I HA -0.170 4.015 4.170 0.026 0.000 0.243 325 I C 2.371 178.314 176.117 -0.290 0.000 1.085 325 I CA 1.046 62.059 61.300 -0.478 0.000 1.347 325 I CB -0.225 37.359 38.000 -0.692 0.000 1.044 325 I HN 0.065 nan 8.210 nan 0.000 0.408 326 F N 0.433 120.335 119.950 -0.080 0.000 2.259 326 F HA -0.081 4.461 4.527 0.026 0.000 0.298 326 F C 2.598 178.333 175.800 -0.108 0.000 1.088 326 F CA 0.924 58.836 58.000 -0.146 0.000 1.358 326 F CB -0.928 37.935 39.000 -0.229 0.000 1.040 326 F HN -0.065 nan 8.300 nan 0.000 0.505 327 R N 0.819 121.396 120.500 0.129 0.000 2.081 327 R HA -0.137 4.218 4.340 0.026 0.000 0.235 327 R C 2.182 178.542 176.300 0.101 0.000 1.131 327 R CA 1.584 57.722 56.100 0.064 0.000 0.960 327 R CB -0.494 29.790 30.300 -0.028 0.000 0.856 327 R HN 0.259 nan 8.270 nan 0.000 0.436 328 I N 0.465 121.118 120.570 0.137 0.000 2.252 328 I HA -0.277 3.909 4.170 0.026 0.000 0.245 328 I C 2.037 178.250 176.117 0.159 0.000 1.102 328 I CA 1.072 62.457 61.300 0.142 0.000 1.385 328 I CB -0.136 37.879 38.000 0.025 0.000 1.064 328 I HN 0.245 nan 8.210 nan 0.000 0.414 329 L N 0.421 121.712 121.223 0.113 0.000 2.056 329 L HA -0.169 4.187 4.340 0.026 0.000 0.207 329 L C 2.845 179.824 176.870 0.181 0.000 1.078 329 L CA 1.289 56.239 54.840 0.183 0.000 0.749 329 L CB -0.716 41.357 42.059 0.023 0.000 0.901 329 L HN 0.211 nan 8.230 nan 0.000 0.433 330 A N 0.331 123.194 122.820 0.072 0.000 1.933 330 A HA -0.133 4.202 4.320 0.026 0.000 0.218 330 A C 2.399 180.026 177.584 0.073 0.000 1.175 330 A CA 1.738 53.761 52.037 -0.024 0.000 0.628 330 A CB -1.231 17.794 19.000 0.041 0.000 0.814 330 A HN 0.450 nan 8.150 nan 0.000 0.444 331 G N 0.004 108.935 108.800 0.219 0.000 2.418 331 G HA2 -0.183 3.793 3.960 0.026 0.000 0.217 331 G HA3 -0.183 3.793 3.960 0.026 0.000 0.217 331 G C 1.523 176.723 174.900 0.500 0.000 1.158 331 G CA 1.071 46.407 45.100 0.393 0.000 0.771 331 G HN 0.477 nan 8.290 nan 0.000 0.545 332 I N 0.344 121.142 120.570 0.379 0.000 2.208 332 I HA -0.165 4.020 4.170 0.026 0.000 0.245 332 I C 2.734 178.967 176.117 0.193 0.000 1.097 332 I CA 0.768 62.290 61.300 0.369 0.000 1.363 332 I CB -0.185 38.086 38.000 0.451 0.000 1.051 332 I HN 0.142 nan 8.210 nan 0.000 0.413 333 L N -0.359 120.825 121.223 -0.066 0.000 2.046 333 L HA -0.239 4.116 4.340 0.026 0.000 0.208 333 L C 2.720 179.373 176.870 -0.360 0.000 1.077 333 L CA 1.246 55.775 54.840 -0.517 0.000 0.747 333 L CB -0.891 40.375 42.059 -1.322 0.000 0.896 333 L HN 0.370 nan 8.230 nan 0.000 0.432 334 H N -0.771 118.333 119.070 0.056 0.000 2.395 334 H HA -0.118 4.453 4.556 0.026 0.000 0.299 334 H C 2.119 177.497 175.328 0.084 0.000 1.070 334 H CA 1.201 57.396 56.048 0.245 0.000 1.356 334 H CB -0.124 29.820 29.762 0.304 0.000 1.401 334 H HN 0.176 nan 8.280 nan 0.000 0.524 335 L N 1.095 122.387 121.223 0.115 0.000 2.043 335 L HA -0.070 4.285 4.340 0.026 0.000 0.212 335 L C 2.466 179.208 176.870 -0.214 0.000 1.075 335 L CA 2.050 56.768 54.840 -0.203 0.000 0.752 335 L CB -1.029 40.870 42.059 -0.267 0.000 0.891 335 L HN 0.247 nan 8.230 nan 0.000 0.432 336 G N -1.313 107.255 108.800 -0.386 0.000 2.471 336 G HA2 -0.268 3.708 3.960 0.026 0.000 0.219 336 G HA3 -0.268 3.708 3.960 0.026 0.000 0.219 336 G C 1.298 175.929 174.900 -0.448 0.000 1.125 336 G CA 0.741 45.235 45.100 -1.010 0.000 0.775 336 G HN 0.469 nan 8.290 nan 0.000 0.548 337 N N -0.232 118.357 118.700 -0.185 0.000 2.422 337 N HA 0.054 4.809 4.740 0.026 0.000 0.181 337 N C 0.648 176.121 175.510 -0.062 0.000 1.080 337 N CA -0.148 52.848 53.050 -0.089 0.000 0.893 337 N CB 0.280 38.778 38.487 0.018 0.000 0.973 337 N HN 0.069 nan 8.380 nan 0.000 0.456 338 V N 1.928 121.782 119.914 -0.099 0.000 2.557 338 V HA -0.048 4.087 4.120 0.026 0.000 0.301 338 V C 0.562 176.459 176.094 -0.328 0.000 1.026 338 V CA 0.371 62.596 62.300 -0.125 0.000 1.137 338 V CB 0.272 31.910 31.823 -0.308 0.000 0.917 338 V HN 0.165 nan 8.190 nan 0.000 0.484 339 E N 3.856 123.845 120.200 -0.351 0.000 2.183 339 E HA 0.495 4.860 4.350 0.026 0.000 0.271 339 E C -1.344 174.864 176.600 -0.653 0.000 0.919 339 E CA -0.550 55.603 56.400 -0.411 0.000 0.781 339 E CB 1.919 31.484 29.700 -0.225 0.000 1.140 339 E HN 0.497 nan 8.360 nan 0.000 0.402 340 F N 1.154 120.999 119.950 -0.175 0.000 2.421 340 F HA 0.451 4.993 4.527 0.026 0.000 0.337 340 F C 0.473 176.192 175.800 -0.136 0.000 1.105 340 F CA -0.746 57.159 58.000 -0.159 0.000 1.049 340 F CB 1.501 40.428 39.000 -0.122 0.000 1.139 340 F HN 0.387 nan 8.300 nan 0.000 0.479 341 A N 1.750 124.594 122.820 0.041 0.000 2.301 341 A HA 0.565 4.900 4.320 0.026 0.000 0.312 341 A C -0.116 177.480 177.584 0.020 0.000 1.182 341 A CA -0.653 51.388 52.037 0.007 0.000 0.826 341 A CB 0.183 19.168 19.000 -0.024 0.000 1.134 341 A HN 0.780 nan 8.150 nan 0.000 0.501 342 S N 3.367 119.067 115.700 0.000 0.000 2.510 342 S HA 0.527 5.013 4.470 0.026 0.000 0.279 342 S C 0.084 174.673 174.600 -0.018 0.000 1.284 342 S CA -0.546 57.643 58.200 -0.019 0.000 1.059 342 S CB 0.617 63.801 63.200 -0.027 0.000 0.901 342 S HN 0.664 nan 8.310 nan 0.000 0.491 343 R N 1.256 121.742 120.500 -0.024 0.000 2.923 343 R HA 0.425 4.781 4.340 0.026 0.000 0.252 343 R C -0.526 175.761 176.300 -0.021 0.000 1.130 343 R CA -1.106 54.984 56.100 -0.016 0.000 1.043 343 R CB 0.377 30.673 30.300 -0.007 0.000 1.205 343 R HN 0.899 nan 8.270 nan 0.000 0.495 344 D N -0.023 120.369 120.400 -0.013 0.000 2.601 344 D HA -0.095 4.561 4.640 0.026 0.000 0.229 344 D C -0.453 175.834 176.300 -0.021 0.000 1.140 344 D CA 1.227 55.218 54.000 -0.014 0.000 0.862 344 D CB 0.389 41.185 40.800 -0.006 0.000 1.192 344 D HN 0.509 nan 8.370 nan 0.000 0.480 345 S N 2.302 117.986 115.700 -0.026 0.000 3.783 345 S HA -0.232 4.253 4.470 0.026 0.000 0.360 345 S C 0.100 174.671 174.600 -0.049 0.000 1.006 345 S CA 0.606 58.786 58.200 -0.033 0.000 1.115 345 S CB -1.663 61.522 63.200 -0.025 0.000 0.893 345 S HN 0.905 nan 8.310 nan 0.000 0.475 346 D N 0.074 120.440 120.400 -0.058 0.000 2.686 346 D HA -0.169 4.487 4.640 0.026 0.000 0.235 346 D C 0.372 176.614 176.300 -0.097 0.000 1.160 346 D CA 1.470 55.420 54.000 -0.084 0.000 0.645 346 D CB -1.087 39.652 40.800 -0.101 0.000 1.039 346 D HN 0.934 nan 8.370 nan 0.000 0.423 347 S N -1.473 114.180 115.700 -0.078 0.000 2.798 347 S HA 0.870 5.355 4.470 0.026 0.000 0.312 347 S C 0.331 174.874 174.600 -0.095 0.000 1.122 347 S CA -0.183 57.962 58.200 -0.092 0.000 0.949 347 S CB 2.641 65.809 63.200 -0.054 0.000 1.235 347 S HN 0.875 nan 8.310 nan 0.000 0.552 348 C N -1.404 117.826 119.300 -0.116 0.000 3.318 348 C HA 1.025 5.501 4.460 0.026 0.000 0.322 348 C C -0.431 174.538 174.990 -0.034 0.000 1.398 348 C CA -0.229 58.751 59.018 -0.064 0.000 1.339 348 C CB 0.622 28.312 27.740 -0.084 0.000 1.668 348 C HN 1.591 nan 8.230 nan 0.000 0.462 349 A N 0.448 123.291 122.820 0.037 0.000 2.594 349 A HA 0.852 5.188 4.320 0.026 0.000 0.291 349 A C -1.429 176.176 177.584 0.036 0.000 1.105 349 A CA -0.618 51.446 52.037 0.044 0.000 0.694 349 A CB 0.912 19.931 19.000 0.031 0.000 1.291 349 A HN 0.995 nan 8.150 nan 0.000 0.410 350 I N 2.120 122.686 120.570 -0.007 0.000 2.315 350 I HA 0.331 4.517 4.170 0.026 0.000 0.291 350 I C -1.978 174.094 176.117 -0.076 0.000 1.006 350 I CA -1.692 59.525 61.300 -0.138 0.000 1.265 350 I CB 1.357 39.257 38.000 -0.166 0.000 1.387 350 I HN 0.404 nan 8.210 nan 0.000 0.475 351 P HA -0.055 nan 4.420 nan 0.000 0.267 351 P C -2.446 174.905 177.300 0.085 0.000 1.175 351 P CA -0.483 62.591 63.100 -0.044 0.000 0.763 351 P CB -0.398 31.246 31.700 -0.093 0.000 0.795 352 P HA 0.037 nan 4.420 nan 0.000 0.268 352 P C -0.346 177.021 177.300 0.111 0.000 1.204 352 P CA 0.160 63.323 63.100 0.105 0.000 0.768 352 P CB 0.219 31.950 31.700 0.051 0.000 0.842 353 K N -0.300 120.139 120.400 0.066 0.000 3.077 353 K HA -0.254 4.082 4.320 0.026 0.000 0.264 353 K C -0.077 176.605 176.600 0.137 0.000 1.008 353 K CA 0.379 56.655 56.287 -0.018 0.000 0.740 353 K CB -2.017 30.452 32.500 -0.051 0.000 1.273 353 K HN 0.666 nan 8.250 nan 0.000 0.477 354 H N 1.412 120.598 119.070 0.192 0.000 3.017 354 H HA 0.054 4.625 4.556 0.026 0.000 0.276 354 H C 1.054 176.470 175.328 0.147 0.000 1.062 354 H CA 0.129 56.259 56.048 0.136 0.000 1.486 354 H CB 0.516 30.335 29.762 0.096 0.000 1.507 354 H HN 0.110 nan 8.280 nan 0.000 0.508 355 D N 6.139 126.408 120.400 -0.219 0.000 2.106 355 D HA -0.151 4.504 4.640 0.026 0.000 0.191 355 D C -0.716 175.505 176.300 -0.132 0.000 0.997 355 D CA 1.458 55.375 54.000 -0.138 0.000 0.834 355 D CB -1.006 39.726 40.800 -0.113 0.000 0.956 355 D HN 0.555 nan 8.370 nan 0.000 0.448 356 P HA -0.127 nan 4.420 nan 0.000 0.216 356 P C 1.729 179.081 177.300 0.086 0.000 1.153 356 P CA 0.734 63.803 63.100 -0.052 0.000 0.858 356 P CB 0.001 31.618 31.700 -0.139 0.000 0.789 357 L N -1.189 120.094 121.223 0.099 0.000 2.072 357 L HA -0.059 4.297 4.340 0.026 0.000 0.205 357 L C 2.079 179.128 176.870 0.299 0.000 1.079 357 L CA 2.104 57.049 54.840 0.176 0.000 0.752 357 L CB -1.590 40.492 42.059 0.039 0.000 0.906 357 L HN -0.072 nan 8.230 nan 0.000 0.436 358 T N 0.074 114.851 114.554 0.371 0.000 2.652 358 T HA -0.206 4.160 4.350 0.026 0.000 0.267 358 T C 1.957 176.760 174.700 0.172 0.000 1.039 358 T CA 2.240 64.543 62.100 0.339 0.000 1.153 358 T CB -0.385 68.581 68.868 0.163 0.000 0.863 358 T HN 0.301 nan 8.240 nan 0.000 0.428 359 I N 0.276 120.890 120.570 0.074 0.000 2.208 359 I HA -0.144 4.042 4.170 0.026 0.000 0.245 359 I C 2.126 178.280 176.117 0.063 0.000 1.097 359 I CA 1.346 62.621 61.300 -0.041 0.000 1.363 359 I CB -0.414 37.393 38.000 -0.321 0.000 1.051 359 I HN 0.149 nan 8.210 nan 0.000 0.413 360 F N 1.151 121.132 119.950 0.052 0.000 2.102 360 F HA -0.279 4.264 4.527 0.026 0.000 0.298 360 F C 2.547 178.409 175.800 0.103 0.000 1.105 360 F CA 1.599 59.671 58.000 0.119 0.000 1.239 360 F CB -0.486 38.596 39.000 0.137 0.000 0.991 360 F HN 0.086 nan 8.300 nan 0.000 0.474 361 C N 0.271 119.666 119.300 0.159 0.000 2.440 361 C HA -0.143 4.333 4.460 0.026 0.000 0.278 361 C C 2.596 177.579 174.990 -0.013 0.000 1.295 361 C CA 1.130 60.188 59.018 0.066 0.000 1.738 361 C CB -1.121 26.757 27.740 0.229 0.000 1.987 361 C HN 0.558 nan 8.230 nan 0.000 0.492 362 D N 0.850 121.253 120.400 0.006 0.000 2.097 362 D HA -0.095 4.560 4.640 0.026 0.000 0.195 362 D C 2.052 178.275 176.300 -0.128 0.000 0.989 362 D CA 1.261 55.237 54.000 -0.040 0.000 0.827 362 D CB -0.260 40.523 40.800 -0.029 0.000 0.966 362 D HN 0.417 nan 8.370 nan 0.000 0.456 363 L N -0.261 120.863 121.223 -0.165 0.000 2.093 363 L HA -0.110 4.246 4.340 0.026 0.000 0.208 363 L C 2.420 179.054 176.870 -0.394 0.000 1.085 363 L CA 0.638 55.327 54.840 -0.252 0.000 0.755 363 L CB -0.246 41.728 42.059 -0.142 0.000 0.904 363 L HN 0.093 nan 8.230 nan 0.000 0.435 364 M N -0.786 118.620 119.600 -0.323 0.000 2.514 364 M HA 0.192 4.688 4.480 0.026 0.000 0.258 364 M C 1.322 177.616 176.300 -0.010 0.000 1.119 364 M CA 0.837 56.044 55.300 -0.155 0.000 1.111 364 M CB -0.815 31.567 32.600 -0.363 0.000 1.390 364 M HN 0.337 nan 8.290 nan 0.000 0.475 365 G N 2.253 111.009 108.800 -0.073 0.000 2.289 365 G HA2 -0.118 3.857 3.960 0.026 0.000 0.280 365 G HA3 -0.118 3.857 3.960 0.026 0.000 0.280 365 G C -0.083 174.853 174.900 0.060 0.000 1.089 365 G CA 0.265 45.368 45.100 0.005 0.000 0.939 365 G HN 0.553 nan 8.290 nan 0.000 0.499 366 V N -2.834 117.116 119.914 0.060 0.000 3.001 366 V HA 0.849 4.985 4.120 0.026 0.000 0.314 366 V C 0.132 176.308 176.094 0.136 0.000 1.099 366 V CA -1.079 61.287 62.300 0.110 0.000 0.989 366 V CB 2.149 34.054 31.823 0.137 0.000 1.040 366 V HN 0.384 nan 8.190 nan 0.000 0.434 367 D N 0.856 121.350 120.400 0.155 0.000 2.390 367 D HA 0.146 4.802 4.640 0.026 0.000 0.249 367 D C 0.681 177.114 176.300 0.222 0.000 1.144 367 D CA 0.171 54.276 54.000 0.174 0.000 0.880 367 D CB 0.813 41.706 40.800 0.155 0.000 1.182 367 D HN 0.663 nan 8.370 nan 0.000 0.451 368 Y N 3.450 123.818 120.300 0.114 0.000 2.081 368 Y HA -0.243 4.322 4.550 0.026 0.000 0.280 368 Y C 1.858 177.838 175.900 0.134 0.000 1.163 368 Y CA 1.708 59.884 58.100 0.128 0.000 1.135 368 Y CB 0.175 38.691 38.460 0.095 0.000 0.970 368 Y HN 0.513 nan 8.280 nan 0.000 0.498 369 E N 0.229 120.631 120.200 0.336 0.000 2.106 369 E HA -0.234 4.132 4.350 0.026 0.000 0.192 369 E C 2.116 178.795 176.600 0.133 0.000 0.984 369 E CA 1.353 57.886 56.400 0.222 0.000 0.806 369 E CB -0.282 29.530 29.700 0.186 0.000 0.750 369 E HN 0.689 nan 8.360 nan 0.000 0.458 370 E N -0.075 120.219 120.200 0.157 0.000 2.106 370 E HA -0.166 4.200 4.350 0.026 0.000 0.192 370 E C 1.989 178.761 176.600 0.287 0.000 0.984 370 E CA 0.763 57.286 56.400 0.205 0.000 0.806 370 E CB 0.069 29.913 29.700 0.241 0.000 0.750 370 E HN 0.041 nan 8.360 nan 0.000 0.458 371 M N 0.352 120.083 119.600 0.219 0.000 2.123 371 M HA 0.024 4.520 4.480 0.026 0.000 0.263 371 M C 2.018 178.395 176.300 0.128 0.000 1.069 371 M CA 1.669 57.102 55.300 0.222 0.000 1.133 371 M CB -0.156 32.568 32.600 0.207 0.000 1.356 371 M HN 0.130 nan 8.290 nan 0.000 0.415 372 A N -1.061 121.747 122.820 -0.021 0.000 1.972 372 A HA -0.227 4.108 4.320 0.026 0.000 0.219 372 A C 2.274 179.894 177.584 0.061 0.000 1.169 372 A CA 1.936 53.939 52.037 -0.057 0.000 0.635 372 A CB -1.334 17.561 19.000 -0.175 0.000 0.810 372 A HN 0.764 nan 8.150 nan 0.000 0.446 373 H N -1.968 117.087 119.070 -0.025 0.000 2.299 373 H HA -0.173 4.398 4.556 0.026 0.000 0.302 373 H C 1.809 177.115 175.328 -0.037 0.000 1.078 373 H CA 1.905 57.893 56.048 -0.099 0.000 1.323 373 H CB -0.261 29.262 29.762 -0.398 0.000 1.381 373 H HN 0.704 nan 8.280 nan 0.000 0.498 374 W N 0.848 122.207 121.300 0.099 0.000 2.800 374 W HA 0.089 4.765 4.660 0.026 0.000 0.249 374 W C 2.263 178.827 176.519 0.076 0.000 1.294 374 W CA -0.251 57.130 57.345 0.061 0.000 1.402 374 W CB 0.149 29.702 29.460 0.156 0.000 1.126 374 W HN 0.136 nan 8.180 nan 0.000 0.652 375 L N -0.961 120.410 121.223 0.247 0.000 2.478 375 L HA -0.079 4.277 4.340 0.026 0.000 0.223 375 L C 1.162 178.098 176.870 0.110 0.000 1.140 375 L CA 0.493 55.461 54.840 0.213 0.000 0.842 375 L CB -0.195 42.024 42.059 0.268 0.000 0.953 375 L HN 0.065 nan 8.230 nan 0.000 0.452 376 C N -1.958 117.330 119.300 -0.020 0.000 3.491 376 C HA 0.328 4.804 4.460 0.026 0.000 0.298 376 C C 0.536 175.164 174.990 -0.603 0.000 1.424 376 C CA -0.529 58.320 59.018 -0.282 0.000 1.772 376 C CB -0.624 26.935 27.740 -0.300 0.000 2.447 376 C HN 0.303 nan 8.230 nan 0.000 0.670 377 H N 1.045 120.087 119.070 -0.047 0.000 2.928 377 H HA 0.584 5.155 4.556 0.026 0.000 0.371 377 H C -0.551 174.920 175.328 0.238 0.000 1.186 377 H CA -0.278 55.752 56.048 -0.029 0.000 1.134 377 H CB 1.757 31.270 29.762 -0.415 0.000 1.824 377 H HN 0.370 nan 8.280 nan 0.000 0.554 378 R N 0.482 121.165 120.500 0.305 0.000 2.888 378 R HA 0.575 4.930 4.340 0.026 0.000 0.264 378 R C -1.069 175.361 176.300 0.217 0.000 1.045 378 R CA -1.124 55.067 56.100 0.152 0.000 0.962 378 R CB 2.211 32.379 30.300 -0.220 0.000 1.210 378 R HN 0.317 nan 8.270 nan 0.000 0.479 379 K N 0.885 121.333 120.400 0.080 0.000 2.130 379 K HA 0.343 4.678 4.320 0.026 0.000 0.268 379 K C -1.075 175.541 176.600 0.027 0.000 0.983 379 K CA -0.848 55.492 56.287 0.088 0.000 0.893 379 K CB 1.285 33.793 32.500 0.012 0.000 1.066 379 K HN 0.323 nan 8.250 nan 0.000 0.450 380 L N 2.863 124.134 121.223 0.079 0.000 2.462 380 L HA 0.479 4.835 4.340 0.026 0.000 0.255 380 L C -1.292 175.627 176.870 0.082 0.000 1.076 380 L CA -0.003 54.882 54.840 0.075 0.000 0.920 380 L CB 0.808 42.937 42.059 0.117 0.000 1.214 380 L HN 0.760 nan 8.230 nan 0.000 0.472 387 Y N 0.670 120.992 120.300 0.038 0.000 2.298 387 Y HA 0.636 5.202 4.550 0.026 0.000 0.329 387 Y C 1.005 176.948 175.900 0.072 0.000 1.293 387 Y CA -1.347 56.779 58.100 0.044 0.000 1.388 387 Y CB 0.709 39.189 38.460 0.033 0.000 1.309 387 Y HN 0.358 nan 8.280 nan 0.000 0.544 388 I N 3.034 123.748 120.570 0.240 0.000 2.347 388 I HA 0.178 4.363 4.170 0.026 0.000 0.283 388 I C -0.508 175.712 176.117 0.171 0.000 1.058 388 I CA -0.607 60.807 61.300 0.190 0.000 1.202 388 I CB 0.157 38.220 38.000 0.104 0.000 1.386 388 I HN 0.386 nan 8.210 nan 0.000 0.475 389 K N 7.070 127.589 120.400 0.198 0.000 2.205 389 K HA 0.402 4.737 4.320 0.026 0.000 0.279 389 K C -2.441 174.312 176.600 0.255 0.000 1.027 389 K CA -1.628 54.758 56.287 0.165 0.000 0.932 389 K CB 1.174 33.736 32.500 0.103 0.000 1.032 389 K HN 0.134 nan 8.250 nan 0.000 0.466 390 P HA 0.157 nan 4.420 nan 0.000 0.272 390 P C -0.173 177.121 177.300 -0.010 0.000 1.223 390 P CA -0.246 62.913 63.100 0.099 0.000 0.784 390 P CB 0.409 32.146 31.700 0.062 0.000 0.923 391 I N -1.597 118.911 120.570 -0.103 0.000 2.863 391 I HA 0.638 4.823 4.170 0.026 0.000 0.311 391 I C 0.173 176.202 176.117 -0.147 0.000 1.026 391 I CA -1.108 60.159 61.300 -0.055 0.000 1.077 391 I CB 2.141 40.184 38.000 0.071 0.000 1.262 391 I HN 0.287 nan 8.210 nan 0.000 0.461 392 S N 2.741 118.325 115.700 -0.194 0.000 2.624 392 S HA 0.189 4.674 4.470 0.026 0.000 0.263 392 S C 0.922 175.388 174.600 -0.224 0.000 1.287 392 S CA -0.256 57.808 58.200 -0.226 0.000 0.990 392 S CB 1.390 64.391 63.200 -0.331 0.000 0.950 392 S HN 0.923 nan 8.310 nan 0.000 0.561 393 K N 0.174 120.456 120.400 -0.197 0.000 2.032 393 K HA -0.059 4.277 4.320 0.026 0.000 0.209 393 K C 1.979 178.452 176.600 -0.213 0.000 1.048 393 K CA 1.479 57.636 56.287 -0.216 0.000 0.927 393 K CB -0.518 31.926 32.500 -0.093 0.000 0.712 393 K HN 0.723 nan 8.250 nan 0.000 0.441 394 L N -0.145 121.006 121.223 -0.119 0.000 2.046 394 L HA -0.207 4.148 4.340 0.026 0.000 0.208 394 L C 2.424 179.299 176.870 0.009 0.000 1.077 394 L CA 1.487 56.302 54.840 -0.042 0.000 0.747 394 L CB -0.544 41.517 42.059 0.004 0.000 0.896 394 L HN 0.414 nan 8.230 nan 0.000 0.432 395 H N -0.960 118.011 119.070 -0.166 0.000 2.389 395 H HA -0.094 4.478 4.556 0.026 0.000 0.299 395 H C 2.287 177.440 175.328 -0.291 0.000 1.081 395 H CA 0.689 56.645 56.048 -0.154 0.000 1.345 395 H CB 0.243 29.969 29.762 -0.060 0.000 1.393 395 H HN 0.398 nan 8.280 nan 0.000 0.520 396 A N 1.053 123.679 122.820 -0.324 0.000 1.898 396 A HA -0.104 4.231 4.320 0.026 0.000 0.216 396 A C 2.378 179.569 177.584 -0.655 0.000 1.181 396 A CA 0.925 52.538 52.037 -0.706 0.000 0.620 396 A CB -0.549 17.636 19.000 -1.359 0.000 0.819 396 A HN 0.258 nan 8.150 nan 0.000 0.442 397 I N 0.068 120.375 120.570 -0.439 0.000 2.179 397 I HA -0.304 3.881 4.170 0.026 0.000 0.242 397 I C 2.289 178.371 176.117 -0.058 0.000 1.088 397 I CA 1.673 62.923 61.300 -0.083 0.000 1.357 397 I CB -0.539 37.464 38.000 0.006 0.000 1.051 397 I HN 0.447 nan 8.210 nan 0.000 0.409 398 N N 0.651 119.278 118.700 -0.121 0.000 2.084 398 N HA -0.178 4.577 4.740 0.026 0.000 0.190 398 N C 1.963 177.350 175.510 -0.204 0.000 1.030 398 N CA 1.189 54.161 53.050 -0.131 0.000 0.849 398 N CB -0.206 38.188 38.487 -0.154 0.000 1.012 398 N HN 0.336 nan 8.380 nan 0.000 0.423 399 A N 1.580 124.177 122.820 -0.372 0.000 1.933 399 A HA -0.153 4.182 4.320 0.026 0.000 0.218 399 A C 2.127 179.552 177.584 -0.266 0.000 1.175 399 A CA 1.053 52.750 52.037 -0.566 0.000 0.628 399 A CB -0.453 17.839 19.000 -1.181 0.000 0.814 399 A HN 0.216 nan 8.150 nan 0.000 0.444 400 R N -0.339 120.092 120.500 -0.116 0.000 2.075 400 R HA -0.143 4.213 4.340 0.026 0.000 0.232 400 R C 1.286 177.647 176.300 0.102 0.000 1.126 400 R CA 1.732 57.860 56.100 0.048 0.000 0.963 400 R CB -0.388 30.039 30.300 0.212 0.000 0.858 400 R HN 0.428 nan 8.270 nan 0.000 0.435 401 D N 0.703 121.165 120.400 0.104 0.000 2.104 401 D HA -0.144 4.511 4.640 0.026 0.000 0.194 401 D C 1.790 178.104 176.300 0.023 0.000 0.994 401 D CA 1.659 55.715 54.000 0.093 0.000 0.830 401 D CB -0.395 40.439 40.800 0.057 0.000 0.959 401 D HN 0.364 nan 8.370 nan 0.000 0.452 402 A N 0.716 123.524 122.820 -0.021 0.000 1.940 402 A HA -0.174 4.162 4.320 0.026 0.000 0.219 402 A C 2.179 179.794 177.584 0.053 0.000 1.176 402 A CA 1.142 53.172 52.037 -0.012 0.000 0.631 402 A CB -0.753 18.201 19.000 -0.076 0.000 0.814 402 A HN 0.232 nan 8.150 nan 0.000 0.446 403 L N -0.296 120.952 121.223 0.041 0.000 2.017 403 L HA -0.083 4.272 4.340 0.026 0.000 0.208 403 L C 2.767 179.765 176.870 0.213 0.000 1.073 403 L CA 2.227 57.136 54.840 0.115 0.000 0.745 403 L CB -0.863 41.243 42.059 0.078 0.000 0.894 403 L HN 0.358 nan 8.230 nan 0.000 0.432 404 A N -0.748 122.184 122.820 0.185 0.000 1.908 404 A HA -0.269 4.066 4.320 0.026 0.000 0.218 404 A C 2.360 180.065 177.584 0.202 0.000 1.181 404 A CA 2.166 54.332 52.037 0.215 0.000 0.627 404 A CB -0.553 18.545 19.000 0.164 0.000 0.818 404 A HN 0.510 nan 8.150 nan 0.000 0.445 405 K N -1.829 118.652 120.400 0.135 0.000 2.097 405 K HA -0.157 4.179 4.320 0.026 0.000 0.205 405 K C 2.109 178.857 176.600 0.247 0.000 1.050 405 K CA 1.508 57.888 56.287 0.155 0.000 0.938 405 K CB -0.288 32.267 32.500 0.093 0.000 0.718 405 K HN 0.710 nan 8.250 nan 0.000 0.442 406 H N 0.956 120.121 119.070 0.159 0.000 2.321 406 H HA -0.023 4.549 4.556 0.026 0.000 0.300 406 H C 1.793 177.303 175.328 0.304 0.000 1.087 406 H CA 1.643 57.804 56.048 0.190 0.000 1.319 406 H CB -0.038 29.797 29.762 0.122 0.000 1.379 406 H HN 0.056 nan 8.280 nan 0.000 0.501 407 I N -0.753 120.036 120.570 0.365 0.000 2.179 407 I HA -0.293 3.893 4.170 0.026 0.000 0.242 407 I C 1.956 178.191 176.117 0.197 0.000 1.088 407 I CA 1.359 62.878 61.300 0.366 0.000 1.357 407 I CB -0.402 37.853 38.000 0.426 0.000 1.051 407 I HN 0.284 nan 8.210 nan 0.000 0.409 408 Y N 1.437 121.818 120.300 0.136 0.000 2.128 408 Y HA -0.329 4.237 4.550 0.026 0.000 0.284 408 Y C 2.542 178.468 175.900 0.043 0.000 1.154 408 Y CA 1.694 59.853 58.100 0.099 0.000 1.149 408 Y CB -0.348 38.200 38.460 0.146 0.000 0.976 408 Y HN 0.138 nan 8.280 nan 0.000 0.505 409 A N 0.033 122.943 122.820 0.149 0.000 1.902 409 A HA -0.231 4.104 4.320 0.026 0.000 0.217 409 A C 1.927 179.485 177.584 -0.044 0.000 1.181 409 A CA 2.114 54.160 52.037 0.014 0.000 0.623 409 A CB -0.900 18.114 19.000 0.024 0.000 0.818 409 A HN 0.663 nan 8.150 nan 0.000 0.443 410 N N -0.669 117.981 118.700 -0.083 0.000 2.250 410 N HA -0.040 4.716 4.740 0.026 0.000 0.181 410 N C 1.529 176.960 175.510 -0.132 0.000 1.017 410 N CA 0.959 53.936 53.050 -0.122 0.000 0.866 410 N CB -0.203 38.160 38.487 -0.205 0.000 0.985 410 N HN 0.386 nan 8.380 nan 0.000 0.429 411 L N 0.198 121.306 121.223 -0.192 0.000 2.012 411 L HA -0.074 4.282 4.340 0.026 0.000 0.210 411 L C 1.787 178.549 176.870 -0.179 0.000 1.073 411 L CA 1.538 56.227 54.840 -0.252 0.000 0.748 411 L CB -0.767 41.089 42.059 -0.338 0.000 0.891 411 L HN 0.170 nan 8.230 nan 0.000 0.431 412 F N 0.201 119.895 119.950 -0.426 0.000 2.126 412 F HA -0.288 4.254 4.527 0.026 0.000 0.299 412 F C 2.249 177.901 175.800 -0.247 0.000 1.096 412 F CA 1.915 59.662 58.000 -0.421 0.000 1.255 412 F CB -0.213 38.497 39.000 -0.483 0.000 0.997 412 F HN 0.259 nan 8.300 nan 0.000 0.479 413 N N -0.363 118.409 118.700 0.120 0.000 2.188 413 N HA -0.214 4.541 4.740 0.026 0.000 0.184 413 N C 1.491 176.995 175.510 -0.010 0.000 1.018 413 N CA 1.375 54.456 53.050 0.053 0.000 0.858 413 N CB -0.969 37.533 38.487 0.025 0.000 0.989 413 N HN 0.558 nan 8.380 nan 0.000 0.426 414 W N 2.138 123.326 121.300 -0.187 0.000 2.332 414 W HA -0.060 4.615 4.660 0.026 0.000 0.321 414 W C 2.021 178.425 176.519 -0.192 0.000 1.219 414 W CA 1.308 58.542 57.345 -0.186 0.000 1.277 414 W CB -0.415 28.869 29.460 -0.293 0.000 1.161 414 W HN -0.083 nan 8.180 nan 0.000 0.476 415 I N -0.123 120.525 120.570 0.130 0.000 2.194 415 I HA -0.380 3.806 4.170 0.026 0.000 0.246 415 I C 2.140 178.100 176.117 -0.262 0.000 1.093 415 I CA 1.618 62.871 61.300 -0.078 0.000 1.355 415 I CB -1.161 36.712 38.000 -0.211 0.000 1.046 415 I HN -0.096 nan 8.210 nan 0.000 0.413 416 V N 0.716 120.450 119.914 -0.299 0.000 2.295 416 V HA -0.289 3.847 4.120 0.026 0.000 0.246 416 V C 2.117 178.047 176.094 -0.273 0.000 1.049 416 V CA 2.029 64.157 62.300 -0.286 0.000 1.024 416 V CB -0.637 31.043 31.823 -0.238 0.000 0.648 416 V HN 0.391 nan 8.190 nan 0.000 0.447 417 D N -1.036 119.195 120.400 -0.282 0.000 2.133 417 D HA -0.177 4.479 4.640 0.026 0.000 0.195 417 D C 2.094 178.102 176.300 -0.487 0.000 0.997 417 D CA 1.482 55.272 54.000 -0.351 0.000 0.840 417 D CB -0.275 40.302 40.800 -0.371 0.000 0.947 417 D HN 0.561 nan 8.370 nan 0.000 0.452 418 H N -0.401 118.288 119.070 -0.635 0.000 2.448 418 H HA 0.050 4.622 4.556 0.026 0.000 0.292 418 H C 2.272 177.346 175.328 -0.424 0.000 1.035 418 H CA 0.269 55.935 56.048 -0.636 0.000 1.349 418 H CB 0.378 29.552 29.762 -0.980 0.000 1.425 418 H HN -0.007 nan 8.280 nan 0.000 0.539 419 V N 1.856 121.615 119.914 -0.258 0.000 2.332 419 V HA -0.256 3.879 4.120 0.026 0.000 0.248 419 V C 2.053 177.968 176.094 -0.298 0.000 1.055 419 V CA 1.588 63.748 62.300 -0.233 0.000 1.038 419 V CB -0.333 31.362 31.823 -0.212 0.000 0.651 419 V HN 0.455 nan 8.190 nan 0.000 0.450 420 N N 0.117 118.587 118.700 -0.384 0.000 2.223 420 N HA -0.133 4.623 4.740 0.026 0.000 0.185 420 N C 1.802 176.895 175.510 -0.696 0.000 1.016 420 N CA 1.127 53.811 53.050 -0.610 0.000 0.863 420 N CB -0.251 37.868 38.487 -0.614 0.000 0.983 420 N HN 0.525 nan 8.380 nan 0.000 0.429 421 K N 0.626 120.768 120.400 -0.431 0.000 2.063 421 K HA -0.035 4.301 4.320 0.026 0.000 0.208 421 K C 1.938 178.416 176.600 -0.202 0.000 1.048 421 K CA 1.312 57.435 56.287 -0.273 0.000 0.928 421 K CB -0.105 32.213 32.500 -0.304 0.000 0.713 421 K HN 0.128 nan 8.250 nan 0.000 0.442 422 A N 0.963 123.659 122.820 -0.207 0.000 2.015 422 A HA -0.057 4.279 4.320 0.026 0.000 0.219 422 A C 1.955 179.452 177.584 -0.145 0.000 1.163 422 A CA 1.074 53.024 52.037 -0.145 0.000 0.646 422 A CB -0.313 18.614 19.000 -0.122 0.000 0.806 422 A HN 0.157 nan 8.150 nan 0.000 0.448 423 L N -1.059 120.033 121.223 -0.219 0.000 2.477 423 L HA 0.102 4.458 4.340 0.026 0.000 0.220 423 L C 0.473 177.277 176.870 -0.110 0.000 1.106 423 L CA -0.347 54.386 54.840 -0.179 0.000 0.851 423 L CB -0.419 41.510 42.059 -0.217 0.000 0.994 423 L HN 0.301 nan 8.230 nan 0.000 0.462 424 H N 0.243 119.248 119.070 -0.108 0.000 2.790 424 H HA 0.182 4.753 4.556 0.026 0.000 0.358 424 H C 0.041 175.318 175.328 -0.085 0.000 1.103 424 H CA -0.088 55.900 56.048 -0.101 0.000 1.426 424 H CB 1.295 30.990 29.762 -0.111 0.000 1.424 424 H HN -0.092 nan 8.280 nan 0.000 0.599 425 S N -0.187 115.548 115.700 0.060 0.000 2.578 425 S HA 0.203 4.689 4.470 0.026 0.000 0.301 425 S C 1.325 175.913 174.600 -0.020 0.000 1.091 425 S CA -0.147 58.053 58.200 0.001 0.000 1.032 425 S CB 0.815 64.004 63.200 -0.018 0.000 1.064 425 S HN 0.771 nan 8.310 nan 0.000 0.508 426 T N 0.804 115.344 114.554 -0.023 0.000 2.812 426 T HA 0.024 4.390 4.350 0.026 0.000 0.264 426 T C 0.882 175.563 174.700 -0.032 0.000 1.042 426 T CA 0.689 62.771 62.100 -0.031 0.000 1.140 426 T CB -0.661 68.192 68.868 -0.025 0.000 0.870 426 T HN 0.387 nan 8.240 nan 0.000 0.445 427 V N 3.031 122.930 119.914 -0.025 0.000 2.720 427 V HA 0.067 4.203 4.120 0.026 0.000 0.307 427 V C 0.732 176.814 176.094 -0.020 0.000 1.071 427 V CA -0.384 61.903 62.300 -0.021 0.000 1.199 427 V CB 0.028 31.841 31.823 -0.017 0.000 0.900 427 V HN 0.510 nan 8.190 nan 0.000 0.494 428 K N 3.888 124.280 120.400 -0.013 0.000 2.258 428 K HA 0.177 4.512 4.320 0.026 0.000 0.264 428 K C 0.017 176.630 176.600 0.022 0.000 1.007 428 K CA -0.365 55.918 56.287 -0.006 0.000 0.941 428 K CB 0.550 33.050 32.500 -0.000 0.000 0.966 428 K HN 0.795 nan 8.250 nan 0.000 0.480 429 Q N 2.760 122.579 119.800 0.033 0.000 2.278 429 Q HA 0.017 4.372 4.340 0.026 0.000 0.257 429 Q C 0.204 176.280 176.000 0.126 0.000 0.928 429 Q CA -0.404 55.449 55.803 0.084 0.000 0.932 429 Q CB 0.953 29.732 28.738 0.068 0.000 1.221 429 Q HN 0.797 nan 8.270 nan 0.000 0.434 430 H N 2.125 121.236 119.070 0.070 0.000 2.516 430 H HA 0.156 4.728 4.556 0.026 0.000 0.284 430 H C -0.332 175.064 175.328 0.112 0.000 0.999 430 H CA 1.103 57.184 56.048 0.055 0.000 1.303 430 H CB 0.817 30.565 29.762 -0.022 0.000 1.452 430 H HN 0.633 nan 8.280 nan 0.000 0.530 431 S N -0.423 115.408 115.700 0.218 0.000 2.625 431 S HA 0.495 4.981 4.470 0.026 0.000 0.271 431 S C -1.222 173.594 174.600 0.359 0.000 1.161 431 S CA -0.786 57.517 58.200 0.171 0.000 0.820 431 S CB 2.157 65.496 63.200 0.232 0.000 1.137 431 S HN 0.278 nan 8.310 nan 0.000 0.470 432 F N -0.905 119.138 119.950 0.154 0.000 2.645 432 F HA 0.848 5.391 4.527 0.026 0.000 0.310 432 F C -1.882 173.977 175.800 0.098 0.000 1.102 432 F CA -1.429 56.688 58.000 0.194 0.000 0.952 432 F CB 0.954 40.014 39.000 0.100 0.000 1.326 432 F HN 0.588 nan 8.300 nan 0.000 0.456 433 I N 2.396 123.167 120.570 0.335 0.000 2.382 433 I HA 0.548 4.733 4.170 0.026 0.000 0.285 433 I C 0.206 176.456 176.117 0.222 0.000 1.007 433 I CA -0.872 60.509 61.300 0.134 0.000 1.142 433 I CB 1.636 39.559 38.000 -0.129 0.000 1.289 433 I HN 0.978 nan 8.210 nan 0.000 0.453 434 G N 5.661 114.590 108.800 0.214 0.000 2.332 434 G HA2 0.522 4.497 3.960 0.026 0.000 0.310 434 G HA3 0.522 4.497 3.960 0.026 0.000 0.310 434 G C -0.559 174.217 174.900 -0.207 0.000 1.123 434 G CA -0.316 44.594 45.100 -0.317 0.000 0.873 434 G HN 0.338 nan 8.290 nan 0.000 0.460 435 V N 3.808 123.601 119.914 -0.201 0.000 2.333 435 V HA 0.215 4.350 4.120 0.026 0.000 0.274 435 V C -0.069 176.042 176.094 0.028 0.000 1.028 435 V CA -0.714 61.585 62.300 -0.003 0.000 0.851 435 V CB 1.055 32.911 31.823 0.054 0.000 1.000 435 V HN 0.616 nan 8.190 nan 0.000 0.456 436 L N 4.867 126.197 121.223 0.179 0.000 2.260 436 L HA 0.514 4.870 4.340 0.026 0.000 0.289 436 L C -0.090 176.818 176.870 0.062 0.000 1.057 436 L CA 0.242 55.224 54.840 0.237 0.000 0.811 436 L CB 1.002 43.198 42.059 0.228 0.000 1.184 436 L HN 0.586 nan 8.230 nan 0.000 0.429 437 D N 5.237 125.641 120.400 0.007 0.000 2.380 437 D HA 0.321 4.977 4.640 0.026 0.000 0.230 437 D C -1.011 175.174 176.300 -0.192 0.000 1.154 437 D CA -0.022 53.932 54.000 -0.077 0.000 0.859 437 D CB 0.585 41.332 40.800 -0.088 0.000 1.045 437 D HN 0.452 nan 8.370 nan 0.000 0.495 438 I N 4.356 124.810 120.570 -0.193 0.000 2.686 438 I HA 0.331 4.516 4.170 0.026 0.000 0.295 438 I C -0.990 174.987 176.117 -0.233 0.000 1.114 438 I CA -1.074 60.014 61.300 -0.354 0.000 1.038 438 I CB 1.491 39.321 38.000 -0.284 0.000 1.238 438 I HN 0.260 nan 8.210 nan 0.000 0.420 439 Y N 4.480 124.743 120.300 -0.063 0.000 2.379 439 Y HA 0.681 5.246 4.550 0.026 0.000 0.337 439 Y C 0.896 176.745 175.900 -0.085 0.000 1.238 439 Y CA -0.523 57.548 58.100 -0.049 0.000 1.405 439 Y CB -0.036 38.407 38.460 -0.028 0.000 1.310 439 Y HN 0.653 nan 8.280 nan 0.000 0.569 440 G N 1.464 110.357 108.800 0.154 0.000 2.535 440 G HA2 0.322 4.298 3.960 0.026 0.000 0.282 440 G HA3 0.322 4.298 3.960 0.026 0.000 0.282 440 G C -1.092 173.793 174.900 -0.025 0.000 1.350 440 G CA -1.130 43.994 45.100 0.039 0.000 1.039 440 G HN 0.580 nan 8.290 nan 0.000 0.509 441 F N -0.155 119.795 119.950 -0.000 0.000 2.629 441 F HA 0.160 4.702 4.527 0.026 0.000 0.369 441 F C 1.043 176.785 175.800 -0.097 0.000 1.125 441 F CA 0.799 58.752 58.000 -0.078 0.000 1.330 441 F CB 0.639 39.591 39.000 -0.079 0.000 1.071 441 F HN 0.340 nan 8.300 nan 0.000 0.595 442 E N 1.732 121.934 120.200 0.004 0.000 2.165 442 E HA 0.418 4.784 4.350 0.026 0.000 0.266 442 E C -1.487 175.008 176.600 -0.175 0.000 0.889 442 E CA -0.580 55.750 56.400 -0.116 0.000 0.756 442 E CB 1.080 30.602 29.700 -0.297 0.000 1.131 442 E HN 0.607 nan 8.360 nan 0.000 0.411 443 T N 5.037 119.544 114.554 -0.078 0.000 2.965 443 T HA 0.373 4.739 4.350 0.026 0.000 0.306 443 T C -0.859 173.949 174.700 0.181 0.000 0.991 443 T CA -0.609 61.455 62.100 -0.059 0.000 1.001 443 T CB 0.034 68.872 68.868 -0.051 0.000 0.984 443 T HN 0.222 nan 8.240 nan 0.000 0.446 444 F N 1.197 121.121 119.950 -0.043 0.000 2.377 444 F HA 0.524 5.067 4.527 0.026 0.000 0.335 444 F C 1.857 177.629 175.800 -0.047 0.000 1.099 444 F CA -1.665 56.315 58.000 -0.035 0.000 1.072 444 F CB 0.345 39.337 39.000 -0.013 0.000 1.417 444 F HN 0.379 nan 8.300 nan 0.000 0.495 445 E N 0.146 120.452 120.200 0.176 0.000 2.072 445 E HA -0.037 4.328 4.350 0.026 0.000 0.190 445 E C 0.381 177.023 176.600 0.071 0.000 0.982 445 E CA 1.219 57.663 56.400 0.073 0.000 0.803 445 E CB 0.088 29.811 29.700 0.038 0.000 0.755 445 E HN 0.088 nan 8.360 nan 0.000 0.453 446 I N 2.854 123.501 120.570 0.130 0.000 2.328 446 I HA 0.183 4.368 4.170 0.026 0.000 0.287 446 I C -0.239 175.968 176.117 0.151 0.000 1.012 446 I CA -0.594 60.780 61.300 0.124 0.000 1.195 446 I CB 0.673 38.755 38.000 0.138 0.000 1.350 446 I HN -0.186 nan 8.210 nan 0.000 0.464 447 N N 4.082 122.829 118.700 0.078 0.000 2.400 447 N HA 0.440 5.196 4.740 0.026 0.000 0.288 447 N C -0.211 175.456 175.510 0.261 0.000 1.024 447 N CA -0.143 52.954 53.050 0.078 0.000 0.894 447 N CB 2.690 41.106 38.487 -0.119 0.000 1.173 447 N HN 0.514 nan 8.380 nan 0.000 0.487 448 S N 0.380 116.216 115.700 0.226 0.000 2.855 448 S HA 0.375 4.860 4.470 0.026 0.000 0.308 448 S C 0.822 175.354 174.600 -0.114 0.000 1.077 448 S CA -0.586 57.702 58.200 0.146 0.000 0.896 448 S CB 0.207 63.420 63.200 0.023 0.000 1.339 448 S HN 0.441 nan 8.310 nan 0.000 0.602 449 F N 1.916 121.314 119.950 -0.920 0.000 2.171 449 F HA -0.016 4.526 4.527 0.026 0.000 0.300 449 F C 1.846 177.431 175.800 -0.358 0.000 1.090 449 F CA 2.302 59.682 58.000 -1.033 0.000 1.293 449 F CB -0.312 37.995 39.000 -1.153 0.000 1.013 449 F HN 0.616 nan 8.300 nan 0.000 0.486 450 E N 0.260 120.320 120.200 -0.233 0.000 2.051 450 E HA -0.245 4.120 4.350 0.026 0.000 0.192 450 E C 2.090 178.515 176.600 -0.292 0.000 0.991 450 E CA 1.780 58.039 56.400 -0.234 0.000 0.799 450 E CB -0.373 29.283 29.700 -0.073 0.000 0.748 450 E HN 0.429 nan 8.360 nan 0.000 0.449 451 Q N -0.494 119.192 119.800 -0.189 0.000 2.119 451 Q HA -0.053 4.303 4.340 0.026 0.000 0.201 451 Q C 1.860 177.868 176.000 0.013 0.000 0.972 451 Q CA 0.985 56.695 55.803 -0.154 0.000 0.847 451 Q CB -0.374 28.283 28.738 -0.135 0.000 0.903 451 Q HN 0.300 nan 8.270 nan 0.000 0.433 452 F N -0.048 119.861 119.950 -0.068 0.000 2.095 452 F HA -0.302 4.240 4.527 0.026 0.000 0.298 452 F C 1.859 177.514 175.800 -0.242 0.000 1.104 452 F CA 1.303 59.175 58.000 -0.214 0.000 1.232 452 F CB -0.294 38.502 39.000 -0.339 0.000 0.987 452 F HN 0.080 nan 8.300 nan 0.000 0.475 453 C N 0.481 119.549 119.300 -0.386 0.000 2.432 453 C HA -0.151 4.324 4.460 0.026 0.000 0.277 453 C C 2.772 177.531 174.990 -0.386 0.000 1.249 453 C CA 1.046 59.621 59.018 -0.739 0.000 1.725 453 C CB -1.265 25.498 27.740 -1.628 0.000 2.028 453 C HN 0.523 nan 8.230 nan 0.000 0.477 454 I N 1.635 121.980 120.570 -0.374 0.000 2.163 454 I HA -0.236 3.949 4.170 0.026 0.000 0.243 454 I C 2.108 178.079 176.117 -0.242 0.000 1.085 454 I CA 1.574 62.632 61.300 -0.403 0.000 1.347 454 I CB -0.505 37.067 38.000 -0.715 0.000 1.044 454 I HN 0.423 nan 8.210 nan 0.000 0.408 455 N N -0.155 118.420 118.700 -0.207 0.000 2.270 455 N HA -0.202 4.553 4.740 0.026 0.000 0.181 455 N C 1.726 177.218 175.510 -0.030 0.000 1.016 455 N CA 0.950 53.897 53.050 -0.171 0.000 0.870 455 N CB -0.498 37.847 38.487 -0.236 0.000 0.979 455 N HN 0.374 nan 8.380 nan 0.000 0.431 456 Y N 2.054 122.258 120.300 -0.159 0.000 2.097 456 Y HA -0.123 4.442 4.550 0.026 0.000 0.282 456 Y C 2.268 178.207 175.900 0.066 0.000 1.152 456 Y CA 1.413 59.491 58.100 -0.037 0.000 1.136 456 Y CB -0.937 37.464 38.460 -0.100 0.000 0.975 456 Y HN 0.053 nan 8.280 nan 0.000 0.498 457 A N 1.005 123.814 122.820 -0.019 0.000 1.903 457 A HA -0.301 4.035 4.320 0.026 0.000 0.219 457 A C 2.247 179.741 177.584 -0.151 0.000 1.191 457 A CA 2.160 54.139 52.037 -0.097 0.000 0.638 457 A CB -1.053 18.052 19.000 0.174 0.000 0.823 457 A HN 0.696 nan 8.150 nan 0.000 0.451 458 N N -0.523 118.027 118.700 -0.248 0.000 2.166 458 N HA -0.141 4.615 4.740 0.026 0.000 0.186 458 N C 1.585 176.917 175.510 -0.296 0.000 1.019 458 N CA 1.368 54.102 53.050 -0.525 0.000 0.856 458 N CB -0.243 37.352 38.487 -1.486 0.000 0.993 458 N HN 0.485 nan 8.380 nan 0.000 0.426 459 E N 1.326 121.516 120.200 -0.017 0.000 2.077 459 E HA -0.121 4.244 4.350 0.026 0.000 0.193 459 E C 1.852 178.484 176.600 0.052 0.000 0.989 459 E CA 0.831 57.331 56.400 0.166 0.000 0.800 459 E CB -0.065 29.831 29.700 0.327 0.000 0.746 459 E HN 0.264 nan 8.360 nan 0.000 0.452 460 K N 0.587 120.981 120.400 -0.009 0.000 2.057 460 K HA -0.039 4.297 4.320 0.026 0.000 0.206 460 K C 2.421 178.983 176.600 -0.064 0.000 1.050 460 K CA 0.538 56.795 56.287 -0.049 0.000 0.935 460 K CB -0.411 32.001 32.500 -0.148 0.000 0.715 460 K HN 0.174 nan 8.250 nan 0.000 0.439 461 L N 0.733 121.898 121.223 -0.096 0.000 2.093 461 L HA -0.190 4.166 4.340 0.026 0.000 0.208 461 L C 2.626 179.479 176.870 -0.029 0.000 1.085 461 L CA 1.002 55.807 54.840 -0.059 0.000 0.755 461 L CB -0.342 41.669 42.059 -0.080 0.000 0.904 461 L HN 0.121 nan 8.230 nan 0.000 0.435 462 Q N 0.116 119.844 119.800 -0.120 0.000 2.167 462 Q HA -0.244 4.111 4.340 0.026 0.000 0.202 462 Q C 2.122 178.073 176.000 -0.081 0.000 0.970 462 Q CA 1.536 57.206 55.803 -0.221 0.000 0.855 462 Q CB -0.116 28.337 28.738 -0.476 0.000 0.911 462 Q HN 0.447 nan 8.270 nan 0.000 0.438 463 Q N -0.432 119.364 119.800 -0.007 0.000 2.046 463 Q HA -0.252 4.103 4.340 0.026 0.000 0.200 463 Q C 2.096 178.175 176.000 0.131 0.000 0.975 463 Q CA 1.679 57.528 55.803 0.078 0.000 0.836 463 Q CB -0.124 28.663 28.738 0.083 0.000 0.896 463 Q HN 0.592 nan 8.270 nan 0.000 0.428 464 Q N -0.442 119.420 119.800 0.103 0.000 2.061 464 Q HA -0.225 4.131 4.340 0.026 0.000 0.204 464 Q C 1.917 178.038 176.000 0.201 0.000 0.984 464 Q CA 1.734 57.614 55.803 0.128 0.000 0.846 464 Q CB -0.355 28.441 28.738 0.097 0.000 0.902 464 Q HN 0.488 nan 8.270 nan 0.000 0.421 465 F N 1.575 121.538 119.950 0.022 0.000 2.095 465 F HA -0.251 4.291 4.527 0.025 0.000 0.298 465 F C 1.788 177.602 175.800 0.024 0.000 1.104 465 F CA 1.921 59.849 58.000 -0.120 0.000 1.232 465 F CB -0.294 38.427 39.000 -0.466 0.000 0.987 465 F HN 0.191 nan 8.300 nan 0.000 0.475 466 N N 0.271 119.108 118.700 0.228 0.000 2.166 466 N HA -0.186 4.570 4.740 0.026 0.000 0.186 466 N C 1.868 177.612 175.510 0.391 0.000 1.019 466 N CA 1.859 55.065 53.050 0.259 0.000 0.856 466 N CB -0.430 38.187 38.487 0.217 0.000 0.993 466 N HN 0.400 nan 8.380 nan 0.000 0.426 467 M N -0.776 119.031 119.600 0.346 0.000 2.200 467 M HA -0.098 4.397 4.480 0.026 0.000 0.265 467 M C 2.081 178.503 176.300 0.203 0.000 1.066 467 M CA 1.016 56.467 55.300 0.252 0.000 1.127 467 M CB -0.306 32.377 32.600 0.137 0.000 1.379 467 M HN 0.303 nan 8.290 nan 0.000 0.420 468 H N -0.275 118.809 119.070 0.022 0.000 2.321 468 H HA -0.134 4.438 4.556 0.026 0.000 0.300 468 H C 1.955 177.235 175.328 -0.081 0.000 1.087 468 H CA 1.695 57.719 56.048 -0.039 0.000 1.319 468 H CB 0.333 30.062 29.762 -0.055 0.000 1.379 468 H HN 0.131 nan 8.280 nan 0.000 0.501 469 V N 0.758 120.548 119.914 -0.208 0.000 2.358 469 V HA -0.229 3.907 4.120 0.026 0.000 0.246 469 V C 2.344 178.416 176.094 -0.036 0.000 1.047 469 V CA 1.761 63.908 62.300 -0.255 0.000 1.035 469 V CB -0.832 30.810 31.823 -0.301 0.000 0.658 469 V HN 0.350 nan 8.190 nan 0.000 0.452 470 F N 1.193 121.137 119.950 -0.009 0.000 2.161 470 F HA -0.188 4.355 4.527 0.026 0.000 0.300 470 F C 2.434 178.206 175.800 -0.046 0.000 1.089 470 F CA 2.185 60.214 58.000 0.048 0.000 1.282 470 F CB -0.201 38.893 39.000 0.157 0.000 1.010 470 F HN -0.011 nan 8.300 nan 0.000 0.485 471 K N 0.613 121.004 120.400 -0.015 0.000 2.025 471 K HA -0.138 4.197 4.320 0.026 0.000 0.207 471 K C 2.131 178.625 176.600 -0.178 0.000 1.049 471 K CA 1.628 57.849 56.287 -0.110 0.000 0.933 471 K CB -0.439 32.045 32.500 -0.026 0.000 0.714 471 K HN 0.388 nan 8.250 nan 0.000 0.438 472 L N 1.085 122.179 121.223 -0.216 0.000 2.131 472 L HA -0.164 4.191 4.340 0.026 0.000 0.210 472 L C 2.496 179.305 176.870 -0.101 0.000 1.092 472 L CA 1.005 55.732 54.840 -0.188 0.000 0.759 472 L CB -0.315 41.584 42.059 -0.267 0.000 0.903 472 L HN 0.205 nan 8.230 nan 0.000 0.435 473 E N -0.055 120.073 120.200 -0.120 0.000 2.072 473 E HA -0.185 4.181 4.350 0.026 0.000 0.190 473 E C 2.184 178.745 176.600 -0.065 0.000 0.982 473 E CA 0.906 57.282 56.400 -0.041 0.000 0.803 473 E CB -0.096 29.547 29.700 -0.095 0.000 0.755 473 E HN 0.550 nan 8.360 nan 0.000 0.453 474 Q N 0.570 120.192 119.800 -0.297 0.000 2.061 474 Q HA -0.195 4.160 4.340 0.026 0.000 0.204 474 Q C 2.113 178.074 176.000 -0.064 0.000 0.984 474 Q CA 1.533 57.179 55.803 -0.262 0.000 0.846 474 Q CB -0.110 28.419 28.738 -0.348 0.000 0.902 474 Q HN 0.352 nan 8.270 nan 0.000 0.421 475 E N 0.269 120.433 120.200 -0.060 0.000 2.077 475 E HA -0.237 4.128 4.350 0.026 0.000 0.193 475 E C 1.917 178.540 176.600 0.040 0.000 0.989 475 E CA 1.154 57.544 56.400 -0.016 0.000 0.800 475 E CB -0.001 29.678 29.700 -0.035 0.000 0.746 475 E HN 0.223 nan 8.360 nan 0.000 0.452 476 E N 0.243 120.497 120.200 0.090 0.000 2.110 476 E HA -0.196 4.169 4.350 0.026 0.000 0.193 476 E C 1.561 178.260 176.600 0.164 0.000 0.988 476 E CA 1.248 57.736 56.400 0.147 0.000 0.804 476 E CB -0.218 29.602 29.700 0.201 0.000 0.745 476 E HN 0.307 nan 8.360 nan 0.000 0.458 477 Y N -0.106 120.203 120.300 0.014 0.000 2.263 477 Y HA -0.037 4.529 4.550 0.026 0.000 0.292 477 Y C 2.279 178.112 175.900 -0.112 0.000 1.130 477 Y CA 1.452 59.510 58.100 -0.071 0.000 1.179 477 Y CB -0.221 38.191 38.460 -0.079 0.000 0.998 477 Y HN 0.082 nan 8.280 nan 0.000 0.532 478 M N -0.410 119.237 119.600 0.078 0.000 2.080 478 M HA -0.288 4.208 4.480 0.026 0.000 0.260 478 M C 2.159 178.452 176.300 -0.013 0.000 1.068 478 M CA 1.764 57.071 55.300 0.011 0.000 1.109 478 M CB -0.349 32.252 32.600 0.002 0.000 1.342 478 M HN 0.093 nan 8.290 nan 0.000 0.405 479 K N -0.043 120.356 120.400 -0.002 0.000 2.063 479 K HA -0.142 4.194 4.320 0.026 0.000 0.208 479 K C 1.600 178.180 176.600 -0.032 0.000 1.048 479 K CA 1.039 57.322 56.287 -0.006 0.000 0.928 479 K CB -0.075 32.435 32.500 0.016 0.000 0.713 479 K HN 0.314 nan 8.250 nan 0.000 0.442 480 E N 0.658 120.808 120.200 -0.083 0.000 2.489 480 E HA -0.032 4.334 4.350 0.026 0.000 0.193 480 E C -0.393 176.094 176.600 -0.189 0.000 1.057 480 E CA 0.142 56.450 56.400 -0.154 0.000 0.866 480 E CB 0.340 29.853 29.700 -0.312 0.000 0.916 480 E HN 0.247 nan 8.360 nan 0.000 0.500 481 Q N 0.087 119.804 119.800 -0.138 0.000 2.460 481 Q HA -0.189 4.166 4.340 0.026 0.000 0.311 481 Q C -0.476 175.424 176.000 -0.166 0.000 1.396 481 Q CA 0.527 56.262 55.803 -0.113 0.000 0.838 481 Q CB -1.920 26.771 28.738 -0.077 0.000 1.140 481 Q HN 0.297 nan 8.270 nan 0.000 0.415 482 I N -0.100 120.344 120.570 -0.210 0.000 2.509 482 I HA 0.418 4.604 4.170 0.026 0.000 0.293 482 I C -1.765 174.355 176.117 0.005 0.000 1.020 482 I CA -2.552 58.614 61.300 -0.222 0.000 1.088 482 I CB 1.580 39.215 38.000 -0.607 0.000 1.267 482 I HN -0.069 nan 8.210 nan 0.000 0.430 489 F N 3.654 123.559 119.950 -0.074 0.000 2.449 489 F HA 0.513 5.055 4.527 0.025 0.000 0.342 489 F C -1.242 174.449 175.800 -0.181 0.000 1.127 489 F CA -0.612 57.281 58.000 -0.179 0.000 0.975 489 F CB 0.754 39.334 39.000 -0.699 0.000 1.146 489 F HN 0.255 nan 8.300 nan 0.000 0.444 490 Y N 4.649 124.568 120.300 -0.635 0.000 2.535 490 Y HA 0.200 4.766 4.550 0.025 0.000 0.349 490 Y C 0.152 175.591 175.900 -0.768 0.000 0.992 490 Y CA -0.587 57.234 58.100 -0.464 0.000 1.248 490 Y CB 0.213 38.578 38.460 -0.158 0.000 1.124 490 Y HN 0.475 nan 8.280 nan 0.000 0.520 491 D N 2.995 123.120 120.400 -0.459 0.000 2.277 491 D HA 0.009 4.665 4.640 0.026 0.000 0.249 491 D C 0.425 176.712 176.300 -0.022 0.000 1.134 491 D CA -0.231 53.616 54.000 -0.255 0.000 0.863 491 D CB 0.722 41.531 40.800 0.015 0.000 1.143 491 D HN 0.610 nan 8.370 nan 0.000 0.458 492 N N 3.101 121.829 118.700 0.046 0.000 2.234 492 N HA -0.068 4.688 4.740 0.026 0.000 0.227 492 N C 0.976 176.562 175.510 0.127 0.000 1.151 492 N CA -0.146 52.978 53.050 0.124 0.000 0.865 492 N CB 0.469 39.067 38.487 0.185 0.000 1.066 492 N HN 0.266 nan 8.380 nan 0.000 0.515 493 Q N 1.631 121.501 119.800 0.117 0.000 2.096 493 Q HA 0.059 4.414 4.340 0.026 0.000 0.204 493 Q C -0.967 175.098 176.000 0.107 0.000 0.982 493 Q CA 1.887 57.761 55.803 0.118 0.000 0.850 493 Q CB -0.991 27.814 28.738 0.112 0.000 0.901 493 Q HN 0.284 nan 8.270 nan 0.000 0.422 494 P HA -0.156 nan 4.420 nan 0.000 0.215 494 P C 1.329 178.677 177.300 0.080 0.000 1.153 494 P CA 1.324 64.472 63.100 0.080 0.000 0.853 494 P CB -0.316 31.425 31.700 0.069 0.000 0.788 495 C N -0.904 118.452 119.300 0.094 0.000 2.429 495 C HA -0.131 4.345 4.460 0.026 0.000 0.277 495 C C 2.550 177.606 174.990 0.109 0.000 1.262 495 C CA 0.672 59.743 59.018 0.088 0.000 1.733 495 C CB -1.741 26.069 27.740 0.117 0.000 2.010 495 C HN 0.078 nan 8.230 nan 0.000 0.483 496 I N 1.146 121.808 120.570 0.153 0.000 2.226 496 I HA -0.218 3.967 4.170 0.026 0.000 0.245 496 I C 2.261 178.469 176.117 0.151 0.000 1.100 496 I CA 2.164 63.584 61.300 0.200 0.000 1.374 496 I CB -0.677 37.454 38.000 0.217 0.000 1.057 496 I HN 0.531 nan 8.210 nan 0.000 0.413 497 N N 0.552 119.321 118.700 0.115 0.000 2.106 497 N HA -0.194 4.562 4.740 0.026 0.000 0.188 497 N C 1.864 177.406 175.510 0.053 0.000 1.029 497 N CA 0.744 53.851 53.050 0.094 0.000 0.848 497 N CB -0.140 38.398 38.487 0.084 0.000 1.007 497 N HN 0.140 nan 8.380 nan 0.000 0.423 498 L N 1.565 122.799 121.223 0.019 0.000 2.081 498 L HA -0.154 4.202 4.340 0.026 0.000 0.212 498 L C 1.695 178.530 176.870 -0.060 0.000 1.080 498 L CA 1.544 56.336 54.840 -0.080 0.000 0.754 498 L CB -0.397 41.619 42.059 -0.071 0.000 0.893 498 L HN 0.231 nan 8.230 nan 0.000 0.433 499 I N -0.618 119.953 120.570 0.003 0.000 2.235 499 I HA -0.205 3.980 4.170 0.026 0.000 0.241 499 I C 2.223 178.301 176.117 -0.064 0.000 1.085 499 I CA 1.653 62.945 61.300 -0.014 0.000 1.378 499 I CB -0.186 37.705 38.000 -0.181 0.000 1.076 499 I HN 0.456 nan 8.210 nan 0.000 0.415 500 E N 0.819 121.001 120.200 -0.031 0.000 2.539 500 E HA 0.334 4.700 4.350 0.026 0.000 0.215 500 E C 0.720 177.382 176.600 0.103 0.000 0.965 500 E CA -0.197 56.215 56.400 0.021 0.000 1.019 500 E CB 0.300 30.090 29.700 0.149 0.000 1.059 500 E HN 0.245 nan 8.360 nan 0.000 0.496 501 A N 1.514 124.393 122.820 0.098 0.000 2.272 501 A HA 0.390 4.725 4.320 0.026 0.000 0.275 501 A C -0.036 177.601 177.584 0.087 0.000 1.096 501 A CA -0.560 51.538 52.037 0.101 0.000 0.822 501 A CB 0.579 19.636 19.000 0.095 0.000 1.088 501 A HN 0.090 nan 8.150 nan 0.000 0.495 502 K N 0.437 120.883 120.400 0.077 0.000 2.485 502 K HA 0.181 4.516 4.320 0.026 0.000 0.277 502 K C 0.566 177.201 176.600 0.059 0.000 0.990 502 K CA 0.634 56.956 56.287 0.058 0.000 0.994 502 K CB -0.122 32.403 32.500 0.043 0.000 0.906 502 K HN 0.627 nan 8.250 nan 0.000 0.488 503 M N -0.276 119.353 119.600 0.048 0.000 2.901 503 M HA -0.186 4.309 4.480 0.026 0.000 0.182 503 M C 0.656 177.049 176.300 0.154 0.000 0.641 503 M CA 1.574 56.899 55.300 0.043 0.000 0.689 503 M CB -2.930 29.663 32.600 -0.012 0.000 2.484 503 M HN 0.762 nan 8.290 nan 0.000 0.302 504 G N -0.131 108.755 108.800 0.144 0.000 2.588 504 G HA2 0.405 4.381 3.960 0.026 0.000 0.278 504 G HA3 0.405 4.381 3.960 0.026 0.000 0.278 504 G C 1.043 176.009 174.900 0.111 0.000 1.307 504 G CA -0.045 45.127 45.100 0.120 0.000 1.016 504 G HN 0.103 nan 8.290 nan 0.000 0.503 505 V N -0.007 119.921 119.914 0.024 0.000 2.261 505 V HA -0.163 3.973 4.120 0.026 0.000 0.246 505 V C 2.930 179.123 176.094 0.165 0.000 1.047 505 V CA 1.629 63.951 62.300 0.037 0.000 1.015 505 V CB -0.784 31.037 31.823 -0.005 0.000 0.642 505 V HN 0.513 nan 8.190 nan 0.000 0.446 506 L N -0.008 121.296 121.223 0.134 0.000 2.093 506 L HA -0.161 4.194 4.340 0.026 0.000 0.208 506 L C 2.376 179.304 176.870 0.098 0.000 1.085 506 L CA 1.830 56.744 54.840 0.124 0.000 0.755 506 L CB -0.610 41.529 42.059 0.133 0.000 0.904 506 L HN 0.418 nan 8.230 nan 0.000 0.435 507 D N 0.429 120.888 120.400 0.098 0.000 2.097 507 D HA -0.172 4.483 4.640 0.026 0.000 0.197 507 D C 2.280 178.617 176.300 0.061 0.000 0.984 507 D CA 1.255 55.296 54.000 0.069 0.000 0.826 507 D CB -0.025 40.815 40.800 0.066 0.000 0.973 507 D HN 0.166 nan 8.370 nan 0.000 0.460 508 L N -0.134 121.159 121.223 0.118 0.000 2.127 508 L HA -0.143 4.212 4.340 0.026 0.000 0.211 508 L C 2.428 179.396 176.870 0.163 0.000 1.089 508 L CA 0.472 55.414 54.840 0.171 0.000 0.757 508 L CB -0.428 41.760 42.059 0.215 0.000 0.899 508 L HN 0.206 nan 8.230 nan 0.000 0.434 509 L N -0.164 121.082 121.223 0.038 0.000 2.027 509 L HA -0.193 4.163 4.340 0.026 0.000 0.206 509 L C 2.042 178.732 176.870 -0.300 0.000 1.074 509 L CA 1.844 56.370 54.840 -0.523 0.000 0.745 509 L CB -0.645 41.054 42.059 -0.600 0.000 0.898 509 L HN 0.173 nan 8.230 nan 0.000 0.433 510 D N -0.383 119.938 120.400 -0.132 0.000 2.123 510 D HA -0.178 4.477 4.640 0.026 0.000 0.196 510 D C 2.101 178.345 176.300 -0.093 0.000 0.992 510 D CA 1.149 55.089 54.000 -0.100 0.000 0.833 510 D CB -0.023 40.742 40.800 -0.058 0.000 0.954 510 D HN 0.397 nan 8.370 nan 0.000 0.455 511 E N 0.443 120.607 120.200 -0.060 0.000 2.072 511 E HA -0.149 4.217 4.350 0.026 0.000 0.191 511 E C 2.026 178.598 176.600 -0.047 0.000 0.985 511 E CA 0.635 57.011 56.400 -0.041 0.000 0.801 511 E CB -0.142 29.551 29.700 -0.012 0.000 0.750 511 E HN 0.244 nan 8.360 nan 0.000 0.452 512 E N 0.201 120.369 120.200 -0.053 0.000 2.153 512 E HA -0.111 4.254 4.350 0.026 0.000 0.194 512 E C 1.979 178.523 176.600 -0.093 0.000 0.988 512 E CA 0.743 57.112 56.400 -0.052 0.000 0.811 512 E CB -0.256 29.423 29.700 -0.034 0.000 0.746 512 E HN 0.163 nan 8.360 nan 0.000 0.466 513 C N 0.924 120.139 119.300 -0.142 0.000 2.432 513 C HA -0.054 4.422 4.460 0.026 0.000 0.280 513 C C 2.037 176.967 174.990 -0.100 0.000 1.353 513 C CA 1.224 60.157 59.018 -0.141 0.000 1.766 513 C CB -0.787 26.850 27.740 -0.171 0.000 1.924 513 C HN 0.489 nan 8.230 nan 0.000 0.509 514 K N -0.408 119.944 120.400 -0.080 0.000 2.404 514 K HA 0.210 4.546 4.320 0.026 0.000 0.194 514 K C 0.258 176.834 176.600 -0.040 0.000 1.023 514 K CA 0.245 56.494 56.287 -0.063 0.000 1.094 514 K CB -0.012 32.453 32.500 -0.059 0.000 0.841 514 K HN 0.390 nan 8.250 nan 0.000 0.523 515 M N 3.135 122.715 119.600 -0.034 0.000 2.144 515 M HA 0.149 4.645 4.480 0.026 0.000 0.356 515 M C -1.641 174.658 176.300 -0.002 0.000 1.217 515 M CA -2.239 53.051 55.300 -0.015 0.000 1.087 515 M CB 1.370 33.962 32.600 -0.013 0.000 1.609 515 M HN -0.128 nan 8.290 nan 0.000 0.467 516 P HA -0.143 nan 4.420 nan 0.000 0.220 516 P C 0.461 177.779 177.300 0.031 0.000 1.148 516 P CA 1.314 64.441 63.100 0.046 0.000 0.803 516 P CB 0.167 31.896 31.700 0.047 0.000 0.782 517 K N -0.116 120.292 120.400 0.013 0.000 2.387 517 K HA 0.203 4.538 4.320 0.026 0.000 0.198 517 K C 1.214 177.819 176.600 0.007 0.000 1.022 517 K CA -0.072 56.220 56.287 0.008 0.000 1.128 517 K CB -0.119 32.383 32.500 0.003 0.000 0.853 517 K HN 0.089 nan 8.250 nan 0.000 0.523 518 G N 1.642 110.443 108.800 0.003 0.000 2.474 518 G HA2 0.137 4.112 3.960 0.026 0.000 0.233 518 G HA3 0.137 4.112 3.960 0.026 0.000 0.233 518 G C 0.052 174.955 174.900 0.004 0.000 1.278 518 G CA 0.062 45.163 45.100 0.000 0.000 0.861 518 G HN 0.245 nan 8.290 nan 0.000 0.567 519 S N -0.154 115.559 115.700 0.023 0.000 2.671 519 S HA 0.384 4.869 4.470 0.026 0.000 0.277 519 S C 0.356 175.005 174.600 0.081 0.000 1.165 519 S CA -0.599 57.621 58.200 0.034 0.000 0.822 519 S CB 1.845 65.068 63.200 0.038 0.000 1.150 519 S HN 0.377 nan 8.310 nan 0.000 0.479 520 D N 0.941 121.398 120.400 0.096 0.000 2.149 520 D HA -0.098 4.558 4.640 0.026 0.000 0.198 520 D C 0.860 177.273 176.300 0.188 0.000 0.990 520 D CA 1.493 55.610 54.000 0.194 0.000 0.839 520 D CB -0.248 40.660 40.800 0.179 0.000 0.948 520 D HN 0.570 nan 8.370 nan 0.000 0.460 521 D N -0.107 120.358 120.400 0.108 0.000 2.123 521 D HA -0.096 4.560 4.640 0.026 0.000 0.200 521 D C 2.316 178.634 176.300 0.029 0.000 0.976 521 D CA 1.611 55.651 54.000 0.066 0.000 0.831 521 D CB -0.442 40.394 40.800 0.060 0.000 0.974 521 D HN 0.320 nan 8.370 nan 0.000 0.469 522 T N -2.154 112.427 114.554 0.045 0.000 2.904 522 T HA -0.162 4.204 4.350 0.026 0.000 0.267 522 T C 1.919 176.627 174.700 0.012 0.000 1.059 522 T CA 0.647 62.758 62.100 0.019 0.000 1.137 522 T CB -0.652 68.232 68.868 0.026 0.000 0.879 522 T HN 0.202 nan 8.240 nan 0.000 0.467 523 W N 2.576 123.792 121.300 -0.140 0.000 2.355 523 W HA 0.160 4.836 4.660 0.026 0.000 0.309 523 W C 2.598 178.936 176.519 -0.302 0.000 1.206 523 W CA 1.055 58.281 57.345 -0.199 0.000 1.284 523 W CB -0.847 28.502 29.460 -0.186 0.000 1.145 523 W HN 0.358 nan 8.180 nan 0.000 0.502 524 A N 0.129 122.682 122.820 -0.445 0.000 1.873 524 A HA -0.336 4.000 4.320 0.026 0.000 0.218 524 A C 1.930 178.889 177.584 -1.040 0.000 1.193 524 A CA 2.485 54.030 52.037 -0.819 0.000 0.629 524 A CB -1.206 17.553 19.000 -0.400 0.000 0.826 524 A HN 0.441 nan 8.150 nan 0.000 0.447 525 Q N -0.176 119.310 119.800 -0.524 0.000 2.119 525 Q HA -0.084 4.271 4.340 0.026 0.000 0.201 525 Q C 1.944 177.758 176.000 -0.311 0.000 0.972 525 Q CA 1.974 57.587 55.803 -0.317 0.000 0.847 525 Q CB -0.266 28.430 28.738 -0.070 0.000 0.903 525 Q HN 0.685 nan 8.270 nan 0.000 0.433 526 K N -0.302 119.906 120.400 -0.319 0.000 2.097 526 K HA -0.113 4.222 4.320 0.026 0.000 0.206 526 K C 2.022 178.378 176.600 -0.407 0.000 1.049 526 K CA 1.289 57.408 56.287 -0.279 0.000 0.933 526 K CB -0.193 32.201 32.500 -0.177 0.000 0.717 526 K HN 0.267 nan 8.250 nan 0.000 0.442 527 L N -0.102 120.738 121.223 -0.639 0.000 2.017 527 L HA -0.227 4.128 4.340 0.026 0.000 0.208 527 L C 2.391 178.962 176.870 -0.499 0.000 1.073 527 L CA 1.360 55.804 54.840 -0.660 0.000 0.745 527 L CB -0.674 40.833 42.059 -0.921 0.000 0.894 527 L HN 0.161 nan 8.230 nan 0.000 0.432 528 Y N 0.011 120.167 120.300 -0.239 0.000 2.181 528 Y HA -0.184 4.382 4.550 0.026 0.000 0.288 528 Y C 2.563 178.349 175.900 -0.191 0.000 1.146 528 Y CA 0.634 58.665 58.100 -0.116 0.000 1.164 528 Y CB -1.180 37.278 38.460 -0.004 0.000 0.982 528 Y HN 0.240 nan 8.280 nan 0.000 0.515 529 N N -0.655 118.006 118.700 -0.065 0.000 2.166 529 N HA -0.123 4.633 4.740 0.026 0.000 0.186 529 N C 1.682 177.063 175.510 -0.215 0.000 1.019 529 N CA 1.866 54.850 53.050 -0.110 0.000 0.856 529 N CB -0.607 37.812 38.487 -0.113 0.000 0.993 529 N HN 0.349 nan 8.380 nan 0.000 0.426 530 T N -0.674 113.647 114.554 -0.388 0.000 3.009 530 T HA 0.064 4.429 4.350 0.026 0.000 0.258 530 T C 1.041 175.298 174.700 -0.738 0.000 1.063 530 T CA 0.758 62.494 62.100 -0.608 0.000 1.139 530 T CB 0.162 68.517 68.868 -0.855 0.000 0.890 530 T HN 0.342 nan 8.240 nan 0.000 0.471 531 H N -0.991 117.826 119.070 -0.422 0.000 3.091 531 H HA 0.363 4.935 4.556 0.026 0.000 0.249 531 H C 0.216 175.351 175.328 -0.320 0.000 0.985 531 H CA -0.495 55.240 56.048 -0.521 0.000 1.177 531 H CB 0.069 29.175 29.762 -1.093 0.000 1.456 531 H HN 0.178 nan 8.280 nan 0.000 0.467 532 L N 3.091 124.258 121.223 -0.094 0.000 2.410 532 L HA 0.090 4.446 4.340 0.026 0.000 0.273 532 L C 0.625 177.547 176.870 0.087 0.000 1.152 532 L CA 0.356 55.304 54.840 0.181 0.000 0.855 532 L CB 0.182 42.381 42.059 0.233 0.000 1.129 532 L HN 0.261 nan 8.230 nan 0.000 0.463 533 N N 2.086 120.852 118.700 0.110 0.000 2.857 533 N HA -0.262 4.494 4.740 0.026 0.000 0.242 533 N C 0.742 176.279 175.510 0.044 0.000 0.983 533 N CA 1.574 54.661 53.050 0.062 0.000 0.934 533 N CB -0.702 37.805 38.487 0.033 0.000 1.115 533 N HN 0.583 nan 8.380 nan 0.000 0.593 534 K N -0.180 120.245 120.400 0.042 0.000 2.348 534 K HA 0.281 4.617 4.320 0.026 0.000 0.194 534 K C 0.281 176.917 176.600 0.059 0.000 1.052 534 K CA 0.464 56.768 56.287 0.028 0.000 1.004 534 K CB 0.832 33.323 32.500 -0.014 0.000 0.873 534 K HN 0.375 nan 8.250 nan 0.000 0.523 535 C N 0.216 119.574 119.300 0.097 0.000 2.442 535 C HA 0.671 5.146 4.460 0.026 0.000 0.335 535 C C 1.223 176.297 174.990 0.141 0.000 1.134 535 C CA -0.920 58.166 59.018 0.114 0.000 1.344 535 C CB 0.404 28.220 27.740 0.126 0.000 1.956 535 C HN 0.499 nan 8.230 nan 0.000 0.438 536 A N 4.515 127.395 122.820 0.100 0.000 2.172 536 A HA 0.042 4.377 4.320 0.026 0.000 0.216 536 A C 1.613 179.252 177.584 0.092 0.000 1.154 536 A CA 1.190 53.280 52.037 0.088 0.000 0.701 536 A CB -0.252 18.783 19.000 0.058 0.000 0.789 536 A HN 0.922 nan 8.150 nan 0.000 0.465 537 L N -2.098 119.189 121.223 0.107 0.000 2.554 537 L HA 0.200 4.556 4.340 0.026 0.000 0.226 537 L C 0.423 177.374 176.870 0.136 0.000 1.137 537 L CA -0.015 54.878 54.840 0.089 0.000 0.863 537 L CB -0.119 41.982 42.059 0.069 0.000 0.985 537 L HN 0.476 nan 8.230 nan 0.000 0.451 538 F N 0.984 120.955 119.950 0.035 0.000 2.467 538 F HA 0.460 5.003 4.527 0.026 0.000 0.336 538 F C -0.013 175.837 175.800 0.083 0.000 1.123 538 F CA -0.517 57.526 58.000 0.071 0.000 0.964 538 F CB 1.093 40.128 39.000 0.058 0.000 1.136 538 F HN -0.122 nan 8.300 nan 0.000 0.447 539 E N 4.220 124.166 120.200 -0.423 0.000 2.392 539 E HA 0.335 4.700 4.350 0.026 0.000 0.269 539 E C -1.664 174.707 176.600 -0.382 0.000 0.924 539 E CA -1.398 54.860 56.400 -0.237 0.000 0.784 539 E CB 2.769 32.397 29.700 -0.120 0.000 1.292 539 E HN 0.461 nan 8.360 nan 0.000 0.447 540 K N 1.947 122.241 120.400 -0.177 0.000 2.345 540 K HA 0.425 4.761 4.320 0.026 0.000 0.255 540 K C -2.651 173.863 176.600 -0.143 0.000 0.934 540 K CA -2.096 54.084 56.287 -0.180 0.000 0.801 540 K CB 1.260 33.548 32.500 -0.354 0.000 1.137 540 K HN 0.138 nan 8.250 nan 0.000 0.424 541 P HA 0.042 nan 4.420 nan 0.000 0.265 541 P C 0.071 177.319 177.300 -0.086 0.000 1.193 541 P CA -0.071 62.981 63.100 -0.079 0.000 0.765 541 P CB 0.805 32.477 31.700 -0.047 0.000 0.823 542 R N 2.582 123.040 120.500 -0.070 0.000 2.103 542 R HA -0.094 4.262 4.340 0.026 0.000 0.242 542 R C 1.175 177.443 176.300 -0.053 0.000 1.142 542 R CA 1.417 57.479 56.100 -0.064 0.000 0.960 542 R CB -0.324 29.948 30.300 -0.047 0.000 0.858 542 R HN 0.471 nan 8.270 nan 0.000 0.439 543 L N 0.093 121.294 121.223 -0.036 0.000 2.791 543 L HA 0.219 4.574 4.340 0.026 0.000 0.239 543 L C -0.028 176.839 176.870 -0.006 0.000 1.203 543 L CA -0.274 54.554 54.840 -0.020 0.000 1.002 543 L CB 0.851 42.903 42.059 -0.013 0.000 1.295 543 L HN 0.023 nan 8.230 nan 0.000 0.504 544 S N -0.318 115.377 115.700 -0.008 0.000 2.548 544 S HA 0.411 4.896 4.470 0.026 0.000 0.276 544 S C -0.039 174.589 174.600 0.048 0.000 1.129 544 S CA -0.632 57.586 58.200 0.030 0.000 0.931 544 S CB 1.138 64.364 63.200 0.045 0.000 1.068 544 S HN 0.177 nan 8.310 nan 0.000 0.480 545 N N 2.863 121.629 118.700 0.111 0.000 2.275 545 N HA 0.251 5.007 4.740 0.026 0.000 0.236 545 N C -0.411 175.273 175.510 0.290 0.000 1.154 545 N CA 0.013 53.214 53.050 0.250 0.000 0.866 545 N CB 0.639 39.249 38.487 0.204 0.000 1.093 545 N HN 0.554 nan 8.380 nan 0.000 0.515 546 K N 0.023 120.551 120.400 0.213 0.000 2.676 546 K HA 0.467 4.802 4.320 0.026 0.000 0.205 546 K C -0.500 176.213 176.600 0.189 0.000 1.084 546 K CA -0.161 56.230 56.287 0.174 0.000 1.057 546 K CB 1.527 34.108 32.500 0.136 0.000 0.791 546 K HN 0.028 nan 8.250 nan 0.000 0.484 547 A N 1.057 124.021 122.820 0.239 0.000 2.606 547 A HA 0.787 5.122 4.320 0.026 0.000 0.293 547 A C -1.481 176.281 177.584 0.295 0.000 1.082 547 A CA -0.859 51.294 52.037 0.194 0.000 0.685 547 A CB 0.936 19.982 19.000 0.078 0.000 1.284 547 A HN 0.245 nan 8.150 nan 0.000 0.408 548 F N -0.957 119.005 119.950 0.020 0.000 2.650 548 F HA 0.917 5.459 4.527 0.026 0.000 0.320 548 F C -1.105 174.635 175.800 -0.101 0.000 1.091 548 F CA -1.298 56.632 58.000 -0.118 0.000 0.962 548 F CB 1.437 40.313 39.000 -0.206 0.000 1.363 548 F HN 0.373 nan 8.300 nan 0.000 0.482 549 I N 3.358 123.811 120.570 -0.196 0.000 2.466 549 I HA 0.364 4.549 4.170 0.026 0.000 0.289 549 I C -1.145 174.922 176.117 -0.085 0.000 1.026 549 I CA -0.768 60.430 61.300 -0.170 0.000 1.078 549 I CB 1.927 39.821 38.000 -0.176 0.000 1.249 549 I HN 0.418 nan 8.210 nan 0.000 0.429 550 I N 5.397 126.011 120.570 0.074 0.000 2.354 550 I HA 0.254 4.440 4.170 0.026 0.000 0.292 550 I C 0.166 176.245 176.117 -0.063 0.000 0.989 550 I CA -1.018 60.304 61.300 0.036 0.000 1.188 550 I CB 1.531 39.560 38.000 0.047 0.000 1.342 550 I HN 0.456 nan 8.210 nan 0.000 0.457 551 K N 6.938 127.301 120.400 -0.063 0.000 2.228 551 K HA 0.152 4.487 4.320 0.026 0.000 0.284 551 K C 0.036 176.599 176.600 -0.060 0.000 1.088 551 K CA 0.174 56.434 56.287 -0.046 0.000 0.941 551 K CB -0.200 32.289 32.500 -0.019 0.000 1.158 551 K HN 0.363 nan 8.250 nan 0.000 0.438 552 H N 2.794 121.868 119.070 0.007 0.000 2.509 552 H HA 0.007 4.579 4.556 0.026 0.000 0.360 552 H C 0.794 176.106 175.328 -0.026 0.000 1.398 552 H CA -0.130 55.934 56.048 0.027 0.000 1.429 552 H CB 0.369 30.095 29.762 -0.060 0.000 1.611 552 H HN 0.558 nan 8.280 nan 0.000 0.606 553 F N 1.276 121.256 119.950 0.049 0.000 2.065 553 F HA -0.241 4.302 4.527 0.026 0.000 0.298 553 F C 2.209 177.919 175.800 -0.149 0.000 1.112 553 F CA 2.138 60.134 58.000 -0.007 0.000 1.212 553 F CB -0.399 38.687 39.000 0.144 0.000 0.975 553 F HN 0.535 nan 8.300 nan 0.000 0.476 554 A N -1.801 120.782 122.820 -0.395 0.000 2.081 554 A HA 0.180 4.515 4.320 0.026 0.000 0.214 554 A C -0.012 177.371 177.584 -0.335 0.000 1.158 554 A CA 1.050 52.825 52.037 -0.435 0.000 0.724 554 A CB -0.221 18.527 19.000 -0.419 0.000 0.826 554 A HN 0.478 nan 8.150 nan 0.000 0.463 555 D N -2.203 118.023 120.400 -0.291 0.000 2.926 555 D HA 0.193 4.848 4.640 0.026 0.000 0.272 555 D C -1.501 174.735 176.300 -0.107 0.000 1.172 555 D CA -0.552 53.338 54.000 -0.183 0.000 0.731 555 D CB 0.595 41.288 40.800 -0.178 0.000 1.282 555 D HN 0.055 nan 8.370 nan 0.000 0.430 556 K N 0.583 120.933 120.400 -0.083 0.000 2.350 556 K HA 0.506 4.842 4.320 0.026 0.000 0.279 556 K C -0.583 175.969 176.600 -0.080 0.000 1.027 556 K CA -0.399 55.852 56.287 -0.059 0.000 0.969 556 K CB 1.111 33.567 32.500 -0.073 0.000 0.954 556 K HN 0.118 nan 8.250 nan 0.000 0.474 557 V N 2.452 122.327 119.914 -0.065 0.000 2.588 557 V HA 0.196 4.332 4.120 0.026 0.000 0.304 557 V C -0.477 175.366 176.094 -0.418 0.000 1.042 557 V CA -0.886 61.270 62.300 -0.240 0.000 0.877 557 V CB 1.700 33.370 31.823 -0.257 0.000 0.996 557 V HN 0.764 nan 8.190 nan 0.000 0.425 558 E N 3.086 123.007 120.200 -0.464 0.000 2.156 558 E HA 0.510 4.875 4.350 0.026 0.000 0.279 558 E C -1.787 174.459 176.600 -0.591 0.000 0.965 558 E CA -0.486 55.657 56.400 -0.428 0.000 0.789 558 E CB 1.043 30.608 29.700 -0.227 0.000 1.098 558 E HN 0.619 nan 8.360 nan 0.000 0.397 559 Y N 2.215 122.271 120.300 -0.406 0.000 2.387 559 Y HA 0.231 4.797 4.550 0.026 0.000 0.336 559 Y C 0.140 175.923 175.900 -0.196 0.000 1.067 559 Y CA -0.974 56.936 58.100 -0.316 0.000 1.114 559 Y CB 1.502 39.586 38.460 -0.627 0.000 1.208 559 Y HN 0.380 nan 8.280 nan 0.000 0.458 560 Q N 1.281 121.211 119.800 0.215 0.000 2.256 560 Q HA 0.179 4.535 4.340 0.026 0.000 0.254 560 Q C 0.531 176.784 176.000 0.422 0.000 0.916 560 Q CA -0.160 55.787 55.803 0.240 0.000 0.932 560 Q CB 1.575 30.436 28.738 0.205 0.000 1.207 560 Q HN 0.934 nan 8.270 nan 0.000 0.426 561 C N 1.123 120.633 119.300 0.349 0.000 2.432 561 C HA -0.074 4.401 4.460 0.026 0.000 0.280 561 C C 1.262 176.548 174.990 0.493 0.000 1.353 561 C CA 0.058 59.341 59.018 0.442 0.000 1.766 561 C CB -0.483 27.443 27.740 0.310 0.000 1.924 561 C HN 0.777 nan 8.230 nan 0.000 0.509 562 E N 0.201 120.598 120.200 0.328 0.000 2.558 562 E HA 0.262 4.627 4.350 0.026 0.000 0.255 562 E C 1.269 177.971 176.600 0.170 0.000 0.968 562 E CA 0.853 57.384 56.400 0.218 0.000 0.939 562 E CB -0.057 29.738 29.700 0.158 0.000 0.921 562 E HN 0.583 nan 8.360 nan 0.000 0.477 563 G N 3.996 112.832 108.800 0.059 0.000 2.199 563 G HA2 -0.332 3.644 3.960 0.026 0.000 0.254 563 G HA3 -0.332 3.644 3.960 0.026 0.000 0.254 563 G C 0.526 175.318 174.900 -0.181 0.000 0.982 563 G CA 0.248 45.268 45.100 -0.133 0.000 0.632 563 G HN 0.633 nan 8.290 nan 0.000 0.529 564 F N 0.115 119.946 119.950 -0.197 0.000 2.146 564 F HA 0.154 4.697 4.527 0.026 0.000 0.298 564 F C 2.689 178.162 175.800 -0.545 0.000 1.096 564 F CA 1.664 59.453 58.000 -0.351 0.000 1.275 564 F CB -0.198 38.588 39.000 -0.357 0.000 1.008 564 F HN 0.243 nan 8.300 nan 0.000 0.480 565 L N -0.160 120.912 121.223 -0.252 0.000 2.017 565 L HA -0.198 4.157 4.340 0.026 0.000 0.208 565 L C 2.366 179.052 176.870 -0.305 0.000 1.073 565 L CA 1.664 56.315 54.840 -0.316 0.000 0.745 565 L CB -0.731 41.202 42.059 -0.210 0.000 0.894 565 L HN -0.003 nan 8.230 nan 0.000 0.432 566 E N -0.212 119.831 120.200 -0.262 0.000 2.106 566 E HA -0.182 4.184 4.350 0.026 0.000 0.192 566 E C 2.203 178.604 176.600 -0.332 0.000 0.984 566 E CA 0.913 57.169 56.400 -0.240 0.000 0.806 566 E CB -0.122 29.471 29.700 -0.179 0.000 0.750 566 E HN 0.466 nan 8.360 nan 0.000 0.458 567 K N 0.677 120.787 120.400 -0.484 0.000 2.147 567 K HA -0.121 4.214 4.320 0.026 0.000 0.205 567 K C 1.923 178.062 176.600 -0.767 0.000 1.049 567 K CA 1.074 56.979 56.287 -0.636 0.000 0.936 567 K CB -0.081 31.918 32.500 -0.836 0.000 0.722 567 K HN -0.040 nan 8.250 nan 0.000 0.446 568 N N 1.137 119.369 118.700 -0.780 0.000 2.300 568 N HA -0.063 4.692 4.740 0.026 0.000 0.179 568 N C -0.313 175.020 175.510 -0.295 0.000 1.016 568 N CA 0.705 53.401 53.050 -0.590 0.000 0.876 568 N CB 0.245 38.435 38.487 -0.496 0.000 0.979 568 N HN -0.026 nan 8.380 nan 0.000 0.432 569 K N 0.439 120.682 120.400 -0.262 0.000 2.448 569 K HA -0.012 4.323 4.320 0.026 0.000 0.278 569 K C -0.707 175.818 176.600 -0.126 0.000 1.009 569 K CA 0.580 56.764 56.287 -0.172 0.000 0.995 569 K CB 0.594 32.994 32.500 -0.166 0.000 0.917 569 K HN 0.121 nan 8.250 nan 0.000 0.481 570 D N 1.152 121.503 120.400 -0.081 0.000 3.285 570 D HA 0.018 4.673 4.640 0.026 0.000 0.314 570 D C -1.232 175.052 176.300 -0.026 0.000 1.601 570 D CA -0.114 53.862 54.000 -0.040 0.000 0.772 570 D CB 0.484 41.286 40.800 0.004 0.000 1.312 570 D HN 0.265 nan 8.370 nan 0.000 0.550 571 T N 0.617 115.146 114.554 -0.042 0.000 2.727 571 T HA 0.270 4.635 4.350 0.026 0.000 0.295 571 T C 0.070 174.773 174.700 0.004 0.000 0.915 571 T CA -0.151 61.948 62.100 -0.001 0.000 1.066 571 T CB 1.165 70.054 68.868 0.034 0.000 0.891 571 T HN 0.033 nan 8.240 nan 0.000 0.516 572 V N 5.917 125.820 119.914 -0.018 0.000 2.546 572 V HA 0.399 4.534 4.120 0.026 0.000 0.284 572 V C -0.801 175.357 176.094 0.106 0.000 1.050 572 V CA -0.810 61.452 62.300 -0.063 0.000 0.981 572 V CB 0.565 32.229 31.823 -0.265 0.000 0.990 572 V HN 0.844 nan 8.190 nan 0.000 0.474 573 Y N 4.323 124.544 120.300 -0.132 0.000 2.350 573 Y HA 0.364 4.929 4.550 0.026 0.000 0.340 573 Y C 1.608 177.413 175.900 -0.159 0.000 1.006 573 Y CA -0.192 57.839 58.100 -0.115 0.000 1.166 573 Y CB 1.582 40.008 38.460 -0.058 0.000 1.168 573 Y HN 0.895 nan 8.280 nan 0.000 0.502 574 E N 2.463 122.624 120.200 -0.065 0.000 2.153 574 E HA -0.182 4.184 4.350 0.026 0.000 0.194 574 E C 1.281 177.763 176.600 -0.196 0.000 0.988 574 E CA 1.516 57.828 56.400 -0.145 0.000 0.811 574 E CB -0.155 29.452 29.700 -0.156 0.000 0.746 574 E HN 0.666 nan 8.360 nan 0.000 0.466 575 E N -0.006 120.033 120.200 -0.270 0.000 2.216 575 E HA -0.091 4.274 4.350 0.026 0.000 0.192 575 E C 2.218 178.653 176.600 -0.276 0.000 0.988 575 E CA 0.906 57.001 56.400 -0.509 0.000 0.834 575 E CB -0.081 28.924 29.700 -1.158 0.000 0.772 575 E HN 0.731 nan 8.360 nan 0.000 0.479 576 Q N 0.341 120.111 119.800 -0.050 0.000 2.046 576 Q HA -0.039 4.317 4.340 0.026 0.000 0.200 576 Q C 2.369 178.376 176.000 0.012 0.000 0.975 576 Q CA 0.916 56.763 55.803 0.075 0.000 0.836 576 Q CB -0.085 28.722 28.738 0.116 0.000 0.896 576 Q HN 0.271 nan 8.270 nan 0.000 0.428 577 I N 0.790 121.302 120.570 -0.096 0.000 2.286 577 I HA -0.292 3.894 4.170 0.026 0.000 0.248 577 I C 2.145 178.184 176.117 -0.131 0.000 1.115 577 I CA 1.234 62.405 61.300 -0.214 0.000 1.392 577 I CB -0.146 37.656 38.000 -0.331 0.000 1.065 577 I HN 0.134 nan 8.210 nan 0.000 0.418 578 K N 0.265 120.601 120.400 -0.107 0.000 2.057 578 K HA -0.124 4.212 4.320 0.026 0.000 0.207 578 K C 2.050 178.657 176.600 0.013 0.000 1.049 578 K CA 1.144 57.395 56.287 -0.062 0.000 0.931 578 K CB -0.153 32.276 32.500 -0.118 0.000 0.714 578 K HN 0.113 nan 8.250 nan 0.000 0.440 579 V N 1.870 121.808 119.914 0.041 0.000 2.332 579 V HA -0.262 3.873 4.120 0.026 0.000 0.248 579 V C 2.131 178.316 176.094 0.152 0.000 1.055 579 V CA 1.685 64.066 62.300 0.135 0.000 1.038 579 V CB -0.448 31.508 31.823 0.222 0.000 0.651 579 V HN 0.291 nan 8.190 nan 0.000 0.450 580 L N -0.762 120.554 121.223 0.156 0.000 2.093 580 L HA -0.142 4.213 4.340 0.026 0.000 0.208 580 L C 2.519 179.520 176.870 0.218 0.000 1.085 580 L CA 1.483 56.452 54.840 0.214 0.000 0.755 580 L CB -0.681 41.549 42.059 0.286 0.000 0.904 580 L HN 0.243 nan 8.230 nan 0.000 0.435 581 K N 0.151 120.659 120.400 0.180 0.000 2.280 581 K HA -0.111 4.225 4.320 0.026 0.000 0.202 581 K C 1.950 178.627 176.600 0.128 0.000 1.047 581 K CA 1.445 57.844 56.287 0.187 0.000 0.942 581 K CB -0.048 32.535 32.500 0.137 0.000 0.739 581 K HN 0.316 nan 8.250 nan 0.000 0.457 582 S N 0.068 115.836 115.700 0.114 0.000 2.660 582 S HA 0.026 4.511 4.470 0.026 0.000 0.227 582 S C 0.424 175.086 174.600 0.104 0.000 0.948 582 S CA -0.561 57.698 58.200 0.099 0.000 0.948 582 S CB 0.137 63.394 63.200 0.096 0.000 0.779 582 S HN 0.082 nan 8.310 nan 0.000 0.487 583 S N 1.021 116.792 115.700 0.118 0.000 2.565 583 S HA 0.541 5.027 4.470 0.026 0.000 0.276 583 S C 0.183 174.852 174.600 0.117 0.000 1.326 583 S CA 0.006 58.283 58.200 0.130 0.000 1.045 583 S CB 0.833 64.140 63.200 0.178 0.000 0.918 583 S HN 0.710 nan 8.310 nan 0.000 0.505 584 K N 3.342 123.809 120.400 0.111 0.000 3.237 584 K HA 0.401 4.737 4.320 0.026 0.000 0.197 584 K C 0.365 177.024 176.600 0.098 0.000 1.133 584 K CA -0.443 55.901 56.287 0.094 0.000 0.944 584 K CB -0.117 32.424 32.500 0.069 0.000 0.952 584 K HN 0.781 nan 8.250 nan 0.000 0.515 585 K N -0.213 120.280 120.400 0.156 0.000 2.504 585 K HA 0.387 4.723 4.320 0.026 0.000 0.203 585 K C -0.264 176.472 176.600 0.227 0.000 1.350 585 K CA 0.178 56.537 56.287 0.119 0.000 0.953 585 K CB 0.551 33.053 32.500 0.004 0.000 1.243 585 K HN 0.556 nan 8.250 nan 0.000 0.534 586 F N -3.250 116.681 119.950 -0.032 0.000 2.650 586 F HA 0.482 5.024 4.527 0.026 0.000 0.310 586 F C 0.209 175.984 175.800 -0.041 0.000 1.112 586 F CA -0.957 57.013 58.000 -0.050 0.000 0.986 586 F CB 1.454 40.412 39.000 -0.070 0.000 1.285 586 F HN -0.267 nan 8.300 nan 0.000 0.440 587 K N 1.552 121.905 120.400 -0.078 0.000 2.288 587 K HA 0.001 4.337 4.320 0.026 0.000 0.201 587 K C 1.217 177.681 176.600 -0.226 0.000 1.048 587 K CA 1.508 57.728 56.287 -0.112 0.000 0.956 587 K CB -0.445 32.038 32.500 -0.028 0.000 0.746 587 K HN 0.709 nan 8.250 nan 0.000 0.461 588 L N 0.103 121.047 121.223 -0.465 0.000 2.027 588 L HA 0.043 4.398 4.340 0.026 0.000 0.206 588 L C 2.317 178.742 176.870 -0.743 0.000 1.074 588 L CA 1.581 56.075 54.840 -0.576 0.000 0.745 588 L CB -0.508 41.135 42.059 -0.693 0.000 0.898 588 L HN 0.357 nan 8.230 nan 0.000 0.433 589 L N 0.551 121.166 121.223 -1.015 0.000 1.989 589 L HA -0.092 4.263 4.340 0.026 0.000 0.211 589 L C -0.588 176.068 176.870 -0.356 0.000 1.071 589 L CA 2.168 56.625 54.840 -0.639 0.000 0.749 589 L CB -1.923 39.879 42.059 -0.427 0.000 0.890 589 L HN 0.212 nan 8.230 nan 0.000 0.431 590 P HA -0.144 nan 4.420 nan 0.000 0.221 590 P C 1.400 178.646 177.300 -0.090 0.000 1.150 590 P CA 1.159 64.240 63.100 -0.031 0.000 0.800 590 P CB -0.019 31.688 31.700 0.013 0.000 0.787 591 E N -0.229 119.879 120.200 -0.154 0.000 2.209 591 E HA -0.148 4.217 4.350 0.026 0.000 0.196 591 E C 1.785 178.300 176.600 -0.141 0.000 0.993 591 E CA 0.747 57.105 56.400 -0.071 0.000 0.819 591 E CB -0.544 29.168 29.700 0.019 0.000 0.745 591 E HN 0.202 nan 8.360 nan 0.000 0.477 592 L N -0.095 120.847 121.223 -0.467 0.000 2.141 592 L HA -0.059 4.296 4.340 0.026 0.000 0.209 592 L C 0.477 176.977 176.870 -0.616 0.000 1.094 592 L CA 0.377 54.804 54.840 -0.689 0.000 0.763 592 L CB -0.173 41.143 42.059 -1.239 0.000 0.908 592 L HN 0.016 nan 8.230 nan 0.000 0.437 633 K N -0.091 120.281 120.400 -0.047 0.000 7.012 633 K HA 0.428 4.763 4.320 0.026 0.000 0.677 633 K C 0.095 176.677 176.600 -0.030 0.000 2.516 633 K CA 1.886 58.148 56.287 -0.042 0.000 1.841 633 K CB -2.843 29.624 32.500 -0.055 0.000 1.900 633 K HN 2.407 nan 8.250 nan 0.000 0.293 634 K N 1.810 122.208 120.400 -0.004 0.000 2.234 634 K HA 0.783 5.118 4.320 0.026 0.000 0.282 634 K C 0.826 177.446 176.600 0.033 0.000 1.039 634 K CA 0.300 56.609 56.287 0.037 0.000 0.928 634 K CB 0.739 33.268 32.500 0.047 0.000 1.039 634 K HN 2.145 nan 8.250 nan 0.000 0.470 635 T N -2.231 112.371 114.554 0.081 0.000 2.907 635 T HA 0.435 4.801 4.350 0.026 0.000 0.292 635 T C 1.072 175.854 174.700 0.137 0.000 1.043 635 T CA -0.205 61.934 62.100 0.065 0.000 1.003 635 T CB 1.446 70.338 68.868 0.039 0.000 1.084 635 T HN 0.192 nan 8.240 nan 0.000 0.483 636 V N 2.126 122.102 119.914 0.103 0.000 2.343 636 V HA -0.006 4.130 4.120 0.026 0.000 0.247 636 V C 2.866 179.195 176.094 0.391 0.000 1.051 636 V CA 2.485 64.917 62.300 0.220 0.000 1.036 636 V CB -1.391 30.531 31.823 0.165 0.000 0.654 636 V HN 1.102 nan 8.190 nan 0.000 0.451 637 G N -1.101 107.953 108.800 0.424 0.000 2.418 637 G HA2 -0.326 3.650 3.960 0.026 0.000 0.217 637 G HA3 -0.326 3.650 3.960 0.026 0.000 0.217 637 G C 1.483 176.617 174.900 0.390 0.000 1.158 637 G CA 1.220 46.603 45.100 0.471 0.000 0.771 637 G HN 0.629 nan 8.290 nan 0.000 0.545 638 H N 0.267 119.464 119.070 0.212 0.000 2.395 638 H HA 0.077 4.649 4.556 0.026 0.000 0.299 638 H C 2.667 178.099 175.328 0.172 0.000 1.070 638 H CA 1.733 57.877 56.048 0.160 0.000 1.356 638 H CB 0.017 29.833 29.762 0.089 0.000 1.401 638 H HN 0.397 nan 8.280 nan 0.000 0.524 639 Q N -1.188 118.710 119.800 0.162 0.000 2.167 639 Q HA -0.116 4.239 4.340 0.026 0.000 0.202 639 Q C 1.829 177.905 176.000 0.126 0.000 0.970 639 Q CA 1.267 57.132 55.803 0.103 0.000 0.855 639 Q CB -0.120 28.712 28.738 0.157 0.000 0.911 639 Q HN 0.449 nan 8.270 nan 0.000 0.438 640 F N 1.478 121.490 119.950 0.105 0.000 2.113 640 F HA -0.197 4.345 4.527 0.026 0.000 0.297 640 F C 2.511 178.373 175.800 0.102 0.000 1.103 640 F CA 1.306 59.380 58.000 0.125 0.000 1.248 640 F CB -0.017 39.091 39.000 0.179 0.000 0.999 640 F HN -0.084 nan 8.300 nan 0.000 0.475 641 R N 0.977 121.684 120.500 0.345 0.000 2.096 641 R HA -0.226 4.130 4.340 0.026 0.000 0.240 641 R C 1.794 178.010 176.300 -0.140 0.000 1.139 641 R CA 2.204 58.416 56.100 0.186 0.000 0.952 641 R CB -1.098 29.267 30.300 0.108 0.000 0.854 641 R HN 0.312 nan 8.270 nan 0.000 0.436 642 N N 0.367 118.934 118.700 -0.222 0.000 2.142 642 N HA -0.125 4.630 4.740 0.026 0.000 0.186 642 N C 1.784 177.259 175.510 -0.057 0.000 1.023 642 N CA 1.590 54.532 53.050 -0.180 0.000 0.852 642 N CB -0.623 37.760 38.487 -0.173 0.000 0.998 642 N HN 0.194 nan 8.380 nan 0.000 0.424 643 S N 0.522 116.178 115.700 -0.074 0.000 2.370 643 S HA -0.072 4.413 4.470 0.026 0.000 0.226 643 S C 1.805 176.357 174.600 -0.081 0.000 1.033 643 S CA 0.685 58.864 58.200 -0.035 0.000 1.011 643 S CB -0.288 62.854 63.200 -0.096 0.000 0.852 643 S HN 0.241 nan 8.310 nan 0.000 0.457 644 L N 1.389 122.472 121.223 -0.233 0.000 2.093 644 L HA 0.012 4.367 4.340 0.026 0.000 0.208 644 L C 2.129 178.940 176.870 -0.098 0.000 1.085 644 L CA 1.958 56.632 54.840 -0.277 0.000 0.755 644 L CB -0.919 40.904 42.059 -0.392 0.000 0.904 644 L HN 0.471 nan 8.230 nan 0.000 0.435 645 H N -0.948 118.029 119.070 -0.155 0.000 2.353 645 H HA -0.109 4.462 4.556 0.026 0.000 0.300 645 H C 2.248 177.517 175.328 -0.098 0.000 1.090 645 H CA 1.575 57.566 56.048 -0.095 0.000 1.327 645 H CB 0.072 29.814 29.762 -0.033 0.000 1.383 645 H HN 0.331 nan 8.280 nan 0.000 0.508 646 L N 0.363 121.620 121.223 0.057 0.000 2.042 646 L HA -0.215 4.141 4.340 0.026 0.000 0.210 646 L C 2.625 179.427 176.870 -0.114 0.000 1.076 646 L CA 0.602 55.471 54.840 0.049 0.000 0.749 646 L CB -0.280 41.883 42.059 0.174 0.000 0.893 646 L HN 0.216 nan 8.230 nan 0.000 0.432 647 L N -0.812 120.174 121.223 -0.395 0.000 2.056 647 L HA -0.184 4.172 4.340 0.026 0.000 0.207 647 L C 2.438 178.992 176.870 -0.527 0.000 1.078 647 L CA 1.760 56.047 54.840 -0.921 0.000 0.749 647 L CB -0.365 41.061 42.059 -1.055 0.000 0.901 647 L HN 0.139 nan 8.230 nan 0.000 0.433 648 M N -0.634 118.761 119.600 -0.341 0.000 2.229 648 M HA -0.146 4.350 4.480 0.026 0.000 0.264 648 M C 2.178 178.364 176.300 -0.190 0.000 1.063 648 M CA 1.334 56.482 55.300 -0.253 0.000 1.114 648 M CB -1.161 31.301 32.600 -0.229 0.000 1.387 648 M HN 0.361 nan 8.290 nan 0.000 0.420 649 E N -0.408 119.701 120.200 -0.153 0.000 2.051 649 E HA -0.143 4.223 4.350 0.026 0.000 0.192 649 E C 1.916 178.469 176.600 -0.079 0.000 0.991 649 E CA 1.811 58.158 56.400 -0.087 0.000 0.799 649 E CB -0.042 29.635 29.700 -0.039 0.000 0.748 649 E HN 0.436 nan 8.360 nan 0.000 0.449 650 T N 1.140 115.622 114.554 -0.120 0.000 2.699 650 T HA -0.155 4.210 4.350 0.026 0.000 0.268 650 T C 1.816 176.443 174.700 -0.121 0.000 1.036 650 T CA 0.967 63.001 62.100 -0.109 0.000 1.147 650 T CB -0.105 68.612 68.868 -0.252 0.000 0.862 650 T HN 0.095 nan 8.240 nan 0.000 0.446 651 L N 0.501 121.593 121.223 -0.218 0.000 2.162 651 L HA 0.087 4.443 4.340 0.026 0.000 0.205 651 L C 2.417 179.231 176.870 -0.093 0.000 1.086 651 L CA 0.590 55.330 54.840 -0.165 0.000 0.778 651 L CB -0.350 41.579 42.059 -0.216 0.000 0.928 651 L HN 0.135 nan 8.230 nan 0.000 0.446 652 N N 0.577 119.222 118.700 -0.091 0.000 2.459 652 N HA -0.060 4.696 4.740 0.026 0.000 0.181 652 N C 1.468 176.951 175.510 -0.044 0.000 1.046 652 N CA 1.078 54.090 53.050 -0.064 0.000 0.904 652 N CB 0.104 38.554 38.487 -0.062 0.000 0.964 652 N HN 0.224 nan 8.380 nan 0.000 0.444 653 A N 0.180 122.982 122.820 -0.029 0.000 2.302 653 A HA 0.109 4.444 4.320 0.026 0.000 0.219 653 A C 0.956 178.520 177.584 -0.034 0.000 1.243 653 A CA 0.189 52.218 52.037 -0.014 0.000 0.856 653 A CB -0.242 18.772 19.000 0.024 0.000 0.893 653 A HN 0.314 nan 8.150 nan 0.000 0.491 654 T N -4.449 110.077 114.554 -0.048 0.000 2.888 654 T HA 0.563 4.929 4.350 0.026 0.000 0.288 654 T C -0.379 174.258 174.700 -0.105 0.000 1.063 654 T CA -0.511 61.538 62.100 -0.086 0.000 1.010 654 T CB 1.453 70.292 68.868 -0.049 0.000 1.214 654 T HN -0.113 nan 8.240 nan 0.000 0.533 655 T N 3.893 118.376 114.554 -0.118 0.000 2.744 655 T HA 0.554 4.920 4.350 0.026 0.000 0.291 655 T C -2.538 171.996 174.700 -0.277 0.000 0.957 655 T CA -0.955 61.038 62.100 -0.178 0.000 1.002 655 T CB 1.087 69.898 68.868 -0.094 0.000 0.919 655 T HN 0.531 nan 8.240 nan 0.000 0.468 656 P HA 0.341 nan 4.420 nan 0.000 0.286 656 P C -0.945 175.916 177.300 -0.731 0.000 1.261 656 P CA -0.577 62.190 63.100 -0.554 0.000 0.821 656 P CB 0.957 32.303 31.700 -0.590 0.000 1.013 657 H N 1.465 120.300 119.070 -0.391 0.000 2.637 657 H HA 0.363 4.935 4.556 0.026 0.000 0.363 657 H C -0.828 174.314 175.328 -0.311 0.000 1.131 657 H CA -0.203 55.747 56.048 -0.162 0.000 1.183 657 H CB 1.500 31.264 29.762 0.002 0.000 1.637 657 H HN 0.422 nan 8.280 nan 0.000 0.531 658 Y N 0.751 121.218 120.300 0.278 0.000 2.331 658 Y HA 0.323 4.889 4.550 0.026 0.000 0.334 658 Y C -0.160 175.862 175.900 0.204 0.000 0.960 658 Y CA -0.757 57.484 58.100 0.235 0.000 1.130 658 Y CB 1.919 40.568 38.460 0.315 0.000 1.164 658 Y HN 0.237 nan 8.280 nan 0.000 0.458 659 V N 5.023 125.100 119.914 0.271 0.000 2.409 659 V HA 0.552 4.688 4.120 0.026 0.000 0.291 659 V C -0.487 175.704 176.094 0.160 0.000 1.020 659 V CA -1.104 61.314 62.300 0.196 0.000 0.848 659 V CB 1.454 33.358 31.823 0.135 0.000 0.990 659 V HN 0.590 nan 8.190 nan 0.000 0.430 660 R N 2.813 123.396 120.500 0.138 0.000 2.265 660 R HA 0.480 4.836 4.340 0.026 0.000 0.328 660 R C -0.981 175.356 176.300 0.062 0.000 0.969 660 R CA -0.369 55.783 56.100 0.087 0.000 0.832 660 R CB 1.253 31.595 30.300 0.070 0.000 1.139 660 R HN 0.647 nan 8.270 nan 0.000 0.457 661 C N 5.053 124.376 119.300 0.038 0.000 2.307 661 C HA 0.595 5.070 4.460 0.026 0.000 0.340 661 C C 0.879 175.854 174.990 -0.025 0.000 1.275 661 C CA -0.773 58.247 59.018 0.003 0.000 1.811 661 C CB -0.580 27.158 27.740 -0.002 0.000 2.372 661 C HN 0.824 nan 8.230 nan 0.000 0.531 662 I N 0.244 120.773 120.570 -0.068 0.000 2.569 662 I HA 0.563 4.748 4.170 0.026 0.000 0.296 662 I C -0.496 175.534 176.117 -0.144 0.000 1.028 662 I CA -0.691 60.551 61.300 -0.096 0.000 1.082 662 I CB 1.104 39.040 38.000 -0.107 0.000 1.264 662 I HN 0.471 nan 8.210 nan 0.000 0.429 663 K N 6.793 127.125 120.400 -0.112 0.000 2.276 663 K HA 0.428 4.763 4.320 0.026 0.000 0.285 663 K C -1.876 174.639 176.600 -0.142 0.000 1.062 663 K CA -1.756 54.482 56.287 -0.080 0.000 0.918 663 K CB 1.096 33.583 32.500 -0.022 0.000 1.055 663 K HN 0.503 nan 8.250 nan 0.000 0.477 664 P HA 0.003 nan 4.420 nan 0.000 0.251 664 P C -1.206 176.001 177.300 -0.155 0.000 1.223 664 P CA 0.381 63.293 63.100 -0.314 0.000 0.796 664 P CB 0.054 31.530 31.700 -0.373 0.000 1.068 665 N N -2.101 116.585 118.700 -0.024 0.000 2.961 665 N HA 0.138 4.893 4.740 0.026 0.000 0.245 665 N C -0.629 174.756 175.510 -0.208 0.000 1.404 665 N CA -0.636 52.393 53.050 -0.034 0.000 0.880 665 N CB -0.079 38.510 38.487 0.170 0.000 1.461 665 N HN -0.434 nan 8.380 nan 0.000 0.510 666 D N -0.416 119.680 120.400 -0.507 0.000 2.328 666 D HA 0.195 4.850 4.640 0.026 0.000 0.221 666 D C -0.361 175.278 176.300 -1.101 0.000 1.072 666 D CA 0.541 54.040 54.000 -0.836 0.000 0.850 666 D CB -0.130 40.033 40.800 -1.062 0.000 0.922 666 D HN 0.482 nan 8.370 nan 0.000 0.516 667 F N 0.249 119.862 119.950 -0.563 0.000 2.775 667 F HA 0.252 4.794 4.527 0.026 0.000 0.313 667 F C 0.632 175.867 175.800 -0.942 0.000 1.121 667 F CA -0.646 56.849 58.000 -0.841 0.000 1.206 667 F CB 0.228 38.389 39.000 -1.398 0.000 1.052 667 F HN -0.295 nan 8.300 nan 0.000 0.524 668 K N -0.343 119.530 120.400 -0.879 0.000 3.088 668 K HA -0.221 4.115 4.320 0.026 0.000 0.273 668 K C -0.641 175.565 176.600 -0.657 0.000 1.111 668 K CA 0.272 55.743 56.287 -1.359 0.000 0.803 668 K CB -2.045 30.014 32.500 -0.735 0.000 1.226 668 K HN 0.102 nan 8.250 nan 0.000 0.485 669 F N 1.370 121.156 119.950 -0.273 0.000 2.504 669 F HA 0.166 4.708 4.527 0.026 0.000 0.369 669 F C -1.540 174.338 175.800 0.130 0.000 1.082 669 F CA -2.448 55.552 58.000 0.000 0.000 1.216 669 F CB -0.176 38.883 39.000 0.099 0.000 1.108 669 F HN -0.131 nan 8.300 nan 0.000 0.554 670 P HA -0.048 nan 4.420 nan 0.000 0.265 670 P C -0.347 177.124 177.300 0.285 0.000 1.193 670 P CA -0.008 63.246 63.100 0.257 0.000 0.765 670 P CB 0.038 31.871 31.700 0.222 0.000 0.823 671 F N 0.435 120.470 119.950 0.141 0.000 2.437 671 F HA -0.230 4.313 4.527 0.026 0.000 0.165 671 F C 0.262 176.161 175.800 0.165 0.000 1.054 671 F CA 1.029 58.986 58.000 -0.071 0.000 0.808 671 F CB -1.679 37.115 39.000 -0.344 0.000 0.669 671 F HN 0.173 nan 8.300 nan 0.000 0.827 672 T N 2.020 116.914 114.554 0.566 0.000 2.881 672 T HA 0.393 4.758 4.350 0.026 0.000 0.291 672 T C -0.869 174.191 174.700 0.600 0.000 0.990 672 T CA -0.502 61.905 62.100 0.512 0.000 0.976 672 T CB 0.932 70.064 68.868 0.440 0.000 0.970 672 T HN 0.155 nan 8.240 nan 0.000 0.438 673 F N 3.426 123.615 119.950 0.397 0.000 2.325 673 F HA 0.415 4.958 4.527 0.026 0.000 0.369 673 F C -0.018 175.901 175.800 0.198 0.000 1.095 673 F CA -1.018 57.148 58.000 0.277 0.000 1.082 673 F CB 0.582 39.764 39.000 0.303 0.000 1.289 673 F HN 0.481 nan 8.300 nan 0.000 0.462 674 D N 3.993 124.418 120.400 0.041 0.000 2.316 674 D HA 0.136 4.792 4.640 0.026 0.000 0.245 674 D C 0.841 177.100 176.300 -0.069 0.000 1.171 674 D CA -0.029 54.010 54.000 0.065 0.000 0.856 674 D CB 1.238 42.080 40.800 0.069 0.000 1.090 674 D HN 0.548 nan 8.370 nan 0.000 0.476 675 E N 2.400 122.675 120.200 0.124 0.000 2.106 675 E HA -0.146 4.219 4.350 0.026 0.000 0.192 675 E C 1.420 178.049 176.600 0.049 0.000 0.984 675 E CA 1.164 57.662 56.400 0.164 0.000 0.806 675 E CB 0.134 29.991 29.700 0.261 0.000 0.750 675 E HN 0.467 nan 8.360 nan 0.000 0.458 676 K N 0.039 120.456 120.400 0.028 0.000 2.057 676 K HA -0.117 4.218 4.320 0.026 0.000 0.206 676 K C 2.215 178.790 176.600 -0.043 0.000 1.050 676 K CA 1.224 57.510 56.287 -0.002 0.000 0.935 676 K CB -0.051 32.450 32.500 0.001 0.000 0.715 676 K HN -0.109 nan 8.250 nan 0.000 0.439 677 R N 1.373 121.826 120.500 -0.078 0.000 2.066 677 R HA -0.039 4.317 4.340 0.026 0.000 0.232 677 R C 1.985 178.189 176.300 -0.159 0.000 1.131 677 R CA 1.797 57.827 56.100 -0.117 0.000 0.955 677 R CB -0.797 29.417 30.300 -0.143 0.000 0.851 677 R HN 0.178 nan 8.270 nan 0.000 0.432 678 A N -0.022 122.637 122.820 -0.268 0.000 1.883 678 A HA -0.125 4.210 4.320 0.026 0.000 0.217 678 A C 2.349 179.863 177.584 -0.117 0.000 1.186 678 A CA 1.971 53.808 52.037 -0.332 0.000 0.624 678 A CB -0.880 17.687 19.000 -0.722 0.000 0.822 678 A HN 0.194 nan 8.150 nan 0.000 0.444 679 V N 0.392 120.284 119.914 -0.037 0.000 2.343 679 V HA -0.294 3.841 4.120 0.026 0.000 0.247 679 V C 2.784 178.879 176.094 0.002 0.000 1.051 679 V CA 2.210 64.526 62.300 0.026 0.000 1.036 679 V CB -0.818 31.053 31.823 0.080 0.000 0.654 679 V HN 0.734 nan 8.190 nan 0.000 0.451 680 Q N -0.117 119.671 119.800 -0.021 0.000 2.050 680 Q HA -0.248 4.108 4.340 0.026 0.000 0.202 680 Q C 2.318 178.311 176.000 -0.012 0.000 0.980 680 Q CA 1.838 57.630 55.803 -0.018 0.000 0.840 680 Q CB -0.229 28.493 28.738 -0.027 0.000 0.898 680 Q HN 0.626 nan 8.270 nan 0.000 0.424 681 Q N 0.221 120.002 119.800 -0.032 0.000 2.084 681 Q HA -0.101 4.255 4.340 0.026 0.000 0.202 681 Q C 2.395 178.396 176.000 0.002 0.000 0.978 681 Q CA 1.044 56.834 55.803 -0.022 0.000 0.844 681 Q CB -0.269 28.428 28.738 -0.068 0.000 0.898 681 Q HN 0.424 nan 8.270 nan 0.000 0.426 682 L N 0.003 121.224 121.223 -0.004 0.000 2.056 682 L HA -0.149 4.207 4.340 0.026 0.000 0.207 682 L C 2.760 179.649 176.870 0.032 0.000 1.078 682 L CA 1.000 55.850 54.840 0.017 0.000 0.749 682 L CB -0.343 41.729 42.059 0.023 0.000 0.901 682 L HN 0.161 nan 8.230 nan 0.000 0.433 683 R N 0.166 120.678 120.500 0.021 0.000 2.073 683 R HA -0.164 4.192 4.340 0.026 0.000 0.234 683 R C 2.309 178.638 176.300 0.048 0.000 1.134 683 R CA 1.476 57.582 56.100 0.009 0.000 0.952 683 R CB -0.260 30.029 30.300 -0.019 0.000 0.850 683 R HN 0.333 nan 8.270 nan 0.000 0.433 684 A N 0.453 123.316 122.820 0.071 0.000 2.019 684 A HA -0.167 4.168 4.320 0.026 0.000 0.219 684 A C 2.291 180.032 177.584 0.262 0.000 1.164 684 A CA 1.420 53.554 52.037 0.162 0.000 0.644 684 A CB -0.753 18.321 19.000 0.124 0.000 0.805 684 A HN 0.755 nan 8.150 nan 0.000 0.449 685 C N -2.952 116.441 119.300 0.156 0.000 2.673 685 C HA 0.557 5.032 4.460 0.026 0.000 0.274 685 C C 1.895 176.956 174.990 0.120 0.000 1.276 685 C CA 0.031 59.121 59.018 0.120 0.000 1.701 685 C CB -0.908 26.868 27.740 0.060 0.000 1.836 685 C HN 1.531 nan 8.230 nan 0.000 0.596 686 G N 0.829 109.757 108.800 0.214 0.000 2.234 686 G HA2 -0.333 3.643 3.960 0.026 0.000 0.260 686 G HA3 -0.333 3.643 3.960 0.026 0.000 0.260 686 G C 0.777 175.771 174.900 0.156 0.000 0.987 686 G CA 0.555 45.817 45.100 0.270 0.000 0.625 686 G HN 0.635 nan 8.290 nan 0.000 0.532 687 V N 1.294 121.248 119.914 0.068 0.000 2.332 687 V HA -0.199 3.937 4.120 0.026 0.000 0.248 687 V C 2.910 179.032 176.094 0.045 0.000 1.055 687 V CA 2.479 64.808 62.300 0.049 0.000 1.038 687 V CB -0.501 31.349 31.823 0.045 0.000 0.651 687 V HN 0.531 nan 8.190 nan 0.000 0.450 688 L N -0.380 120.855 121.223 0.021 0.000 2.141 688 L HA -0.132 4.224 4.340 0.026 0.000 0.209 688 L C 2.531 179.364 176.870 -0.061 0.000 1.094 688 L CA 1.484 56.316 54.840 -0.012 0.000 0.763 688 L CB -0.521 41.528 42.059 -0.017 0.000 0.908 688 L HN 0.357 nan 8.230 nan 0.000 0.437 689 E N 0.119 120.251 120.200 -0.113 0.000 2.122 689 E HA -0.118 4.248 4.350 0.026 0.000 0.190 689 E C 2.053 178.597 176.600 -0.094 0.000 0.977 689 E CA 1.228 57.461 56.400 -0.279 0.000 0.820 689 E CB -0.024 29.179 29.700 -0.828 0.000 0.770 689 E HN 0.174 nan 8.360 nan 0.000 0.462 690 T N 0.453 115.077 114.554 0.117 0.000 2.759 690 T HA -0.126 4.240 4.350 0.026 0.000 0.269 690 T C 1.721 176.481 174.700 0.099 0.000 1.042 690 T CA 1.331 63.545 62.100 0.190 0.000 1.140 690 T CB -0.231 68.754 68.868 0.195 0.000 0.864 690 T HN 0.108 nan 8.240 nan 0.000 0.455 691 I N 0.469 121.070 120.570 0.052 0.000 2.252 691 I HA -0.063 4.122 4.170 0.026 0.000 0.245 691 I C 2.622 178.738 176.117 -0.003 0.000 1.102 691 I CA 1.129 62.449 61.300 0.034 0.000 1.385 691 I CB -0.238 37.776 38.000 0.023 0.000 1.064 691 I HN 0.055 nan 8.210 nan 0.000 0.414 692 R N 0.634 121.103 120.500 -0.051 0.000 2.096 692 R HA -0.160 4.196 4.340 0.026 0.000 0.235 692 R C 2.271 178.486 176.300 -0.141 0.000 1.127 692 R CA 1.521 57.568 56.100 -0.089 0.000 0.968 692 R CB -0.238 29.980 30.300 -0.138 0.000 0.861 692 R HN 0.329 nan 8.270 nan 0.000 0.440 693 I N -0.327 120.128 120.570 -0.192 0.000 2.286 693 I HA -0.241 3.944 4.170 0.026 0.000 0.245 693 I C 2.513 178.621 176.117 -0.014 0.000 1.104 693 I CA 1.187 62.325 61.300 -0.270 0.000 1.397 693 I CB -0.305 37.536 38.000 -0.264 0.000 1.072 693 I HN 0.199 nan 8.210 nan 0.000 0.417 694 S N 0.794 116.521 115.700 0.045 0.000 2.383 694 S HA -0.177 4.308 4.470 0.026 0.000 0.229 694 S C 2.126 176.771 174.600 0.074 0.000 1.030 694 S CA 1.444 59.699 58.200 0.092 0.000 1.002 694 S CB -0.209 63.049 63.200 0.096 0.000 0.829 694 S HN 0.463 nan 8.310 nan 0.000 0.467 695 A N 0.413 123.256 122.820 0.038 0.000 2.119 695 A HA 0.440 4.775 4.320 0.026 0.000 0.217 695 A C 2.199 179.800 177.584 0.028 0.000 1.153 695 A CA 1.292 53.347 52.037 0.031 0.000 0.692 695 A CB -0.802 18.212 19.000 0.024 0.000 0.799 695 A HN 0.716 nan 8.150 nan 0.000 0.458 696 A N -0.653 122.194 122.820 0.046 0.000 2.123 696 A HA 0.413 4.749 4.320 0.026 0.000 0.214 696 A C 1.716 179.328 177.584 0.046 0.000 1.152 696 A CA 1.259 53.338 52.037 0.071 0.000 0.728 696 A CB -0.533 18.567 19.000 0.167 0.000 0.814 696 A HN 0.579 nan 8.150 nan 0.000 0.464 697 G N -1.373 107.474 108.800 0.078 0.000 3.329 697 G HA2 0.443 4.419 3.960 0.026 0.000 0.180 697 G HA3 0.443 4.419 3.960 0.026 0.000 0.180 697 G C -0.508 174.341 174.900 -0.084 0.000 1.640 697 G CA -0.363 44.810 45.100 0.122 0.000 1.018 697 G HN 0.147 nan 8.290 nan 0.000 0.581 698 F N 1.774 121.869 119.950 0.242 0.000 2.449 698 F HA 0.356 4.897 4.527 0.024 0.000 0.329 698 F C -1.443 174.420 175.800 0.105 0.000 1.245 698 F CA -1.796 56.336 58.000 0.220 0.000 1.193 698 F CB 2.233 41.443 39.000 0.349 0.000 1.425 698 F HN 0.143 nan 8.300 nan 0.000 0.544 699 P HA -0.045 nan 4.420 nan 0.000 0.219 699 P C 0.322 177.674 177.300 0.087 0.000 1.150 699 P CA 0.724 63.887 63.100 0.105 0.000 0.814 699 P CB 0.385 32.134 31.700 0.082 0.000 0.787 700 S N 0.704 116.506 115.700 0.170 0.000 2.523 700 S HA 0.342 4.828 4.470 0.026 0.000 0.275 700 S C 0.263 175.068 174.600 0.341 0.000 1.281 700 S CA -0.292 58.063 58.200 0.257 0.000 1.050 700 S CB 0.392 63.723 63.200 0.219 0.000 0.937 700 S HN 0.077 nan 8.310 nan 0.000 0.492 701 R N 2.122 122.838 120.500 0.360 0.000 2.625 701 R HA 0.235 4.591 4.340 0.026 0.000 0.286 701 R C -1.893 174.640 176.300 0.388 0.000 1.406 701 R CA -0.342 55.871 56.100 0.188 0.000 1.052 701 R CB 0.993 31.154 30.300 -0.231 0.000 1.203 701 R HN 0.493 nan 8.270 nan 0.000 0.502 702 W N 1.778 123.202 121.300 0.207 0.000 2.632 702 W HA 0.288 4.967 4.660 0.032 0.000 0.328 702 W C 0.691 177.270 176.519 0.101 0.000 1.044 702 W CA -0.706 56.758 57.345 0.199 0.000 1.225 702 W CB 1.791 31.474 29.460 0.371 0.000 1.396 702 W HN 0.374 nan 8.180 nan 0.000 0.499 703 T N -0.858 113.845 114.554 0.250 0.000 2.856 703 T HA 0.021 4.387 4.350 0.026 0.000 0.306 703 T C 0.745 175.587 174.700 0.236 0.000 1.062 703 T CA 0.092 62.292 62.100 0.167 0.000 1.083 703 T CB 0.629 69.589 68.868 0.153 0.000 0.984 703 T HN 0.379 nan 8.240 nan 0.000 0.542 704 Y N 0.529 121.001 120.300 0.285 0.000 2.207 704 Y HA -0.097 4.467 4.550 0.024 0.000 0.287 704 Y C 2.932 179.055 175.900 0.372 0.000 1.156 704 Y CA 1.616 59.898 58.100 0.305 0.000 1.182 704 Y CB -0.562 37.998 38.460 0.166 0.000 0.979 704 Y HN 0.617 nan 8.280 nan 0.000 0.521 705 Q N 0.695 120.732 119.800 0.396 0.000 2.119 705 Q HA -0.156 4.200 4.340 0.026 0.000 0.201 705 Q C 1.781 177.987 176.000 0.343 0.000 0.972 705 Q CA 1.750 57.743 55.803 0.316 0.000 0.847 705 Q CB -0.168 28.677 28.738 0.179 0.000 0.903 705 Q HN 0.543 nan 8.270 nan 0.000 0.433 706 E N -1.008 119.381 120.200 0.316 0.000 2.077 706 E HA -0.166 4.199 4.350 0.026 0.000 0.193 706 E C 1.662 178.571 176.600 0.515 0.000 0.989 706 E CA 1.103 57.673 56.400 0.283 0.000 0.800 706 E CB -0.262 29.510 29.700 0.119 0.000 0.746 706 E HN 0.387 nan 8.360 nan 0.000 0.452 707 F N 0.498 120.785 119.950 0.561 0.000 2.113 707 F HA -0.188 4.352 4.527 0.021 0.000 0.297 707 F C 2.032 178.076 175.800 0.407 0.000 1.103 707 F CA 1.185 59.527 58.000 0.570 0.000 1.248 707 F CB -0.214 39.090 39.000 0.507 0.000 0.999 707 F HN -0.040 nan 8.300 nan 0.000 0.475 708 F N 0.217 120.459 119.950 0.487 0.000 2.065 708 F HA -0.262 4.283 4.527 0.031 0.000 0.298 708 F C 2.820 178.683 175.800 0.104 0.000 1.112 708 F CA 2.067 60.242 58.000 0.291 0.000 1.212 708 F CB -1.002 38.153 39.000 0.259 0.000 0.975 708 F HN 0.073 nan 8.300 nan 0.000 0.476 709 S N -0.332 115.537 115.700 0.281 0.000 2.356 709 S HA -0.250 4.235 4.470 0.026 0.000 0.223 709 S C 2.228 176.756 174.600 -0.120 0.000 1.032 709 S CA 1.539 59.808 58.200 0.115 0.000 1.005 709 S CB -0.414 62.864 63.200 0.130 0.000 0.867 709 S HN 0.392 nan 8.310 nan 0.000 0.449 710 R N -0.119 120.248 120.500 -0.220 0.000 2.092 710 R HA 0.074 4.429 4.340 0.026 0.000 0.231 710 R C 1.083 176.918 176.300 -0.775 0.000 1.119 710 R CA 1.706 57.485 56.100 -0.534 0.000 0.970 710 R CB -0.618 29.280 30.300 -0.670 0.000 0.864 710 R HN 0.644 nan 8.270 nan 0.000 0.440 711 Y N -0.929 119.150 120.300 -0.369 0.000 2.555 711 Y HA 0.255 4.821 4.550 0.027 0.000 0.259 711 Y C 1.590 177.257 175.900 -0.387 0.000 1.179 711 Y CA -0.497 57.330 58.100 -0.455 0.000 1.230 711 Y CB 0.366 38.340 38.460 -0.809 0.000 1.146 711 Y HN -0.073 nan 8.280 nan 0.000 0.526 712 R N 1.044 121.329 120.500 -0.358 0.000 2.113 712 R HA -0.181 4.174 4.340 0.026 0.000 0.244 712 R C 2.158 178.333 176.300 -0.208 0.000 1.142 712 R CA 1.908 57.761 56.100 -0.412 0.000 0.953 712 R CB -1.162 28.878 30.300 -0.433 0.000 0.860 712 R HN 0.306 nan 8.270 nan 0.000 0.438 713 V N 0.070 119.893 119.914 -0.151 0.000 2.688 713 V HA -0.149 3.986 4.120 0.026 0.000 0.256 713 V C 1.430 177.484 176.094 -0.068 0.000 1.084 713 V CA 1.550 63.794 62.300 -0.093 0.000 1.103 713 V CB -0.290 31.484 31.823 -0.082 0.000 0.688 713 V HN 0.289 nan 8.190 nan 0.000 0.480 714 L N -0.505 120.680 121.223 -0.064 0.000 2.554 714 L HA 0.249 4.604 4.340 0.026 0.000 0.226 714 L C 1.017 177.866 176.870 -0.035 0.000 1.137 714 L CA 1.019 55.832 54.840 -0.046 0.000 0.863 714 L CB -0.552 41.480 42.059 -0.046 0.000 0.985 714 L HN 0.310 nan 8.230 nan 0.000 0.451 715 M N -0.257 119.313 119.600 -0.050 0.000 2.318 715 M HA 0.266 4.762 4.480 0.026 0.000 0.347 715 M C 0.220 176.512 176.300 -0.012 0.000 1.175 715 M CA -0.458 54.827 55.300 -0.025 0.000 1.075 715 M CB 1.294 33.864 32.600 -0.051 0.000 1.614 715 M HN -0.157 nan 8.290 nan 0.000 0.456 716 K N 1.854 122.259 120.400 0.008 0.000 2.237 716 K HA 0.142 4.477 4.320 0.026 0.000 0.270 716 K C 1.173 177.785 176.600 0.021 0.000 1.015 716 K CA 0.115 56.410 56.287 0.013 0.000 0.949 716 K CB 0.836 33.348 32.500 0.019 0.000 0.976 716 K HN 0.851 nan 8.250 nan 0.000 0.472 717 Q N 2.677 122.489 119.800 0.020 0.000 2.152 717 Q HA -0.270 4.085 4.340 0.026 0.000 0.206 717 Q C 2.418 178.441 176.000 0.038 0.000 0.985 717 Q CA 3.061 58.882 55.803 0.030 0.000 0.863 717 Q CB -1.179 27.573 28.738 0.024 0.000 0.904 717 Q HN 0.746 nan 8.270 nan 0.000 0.422 718 K N 1.819 122.238 120.400 0.031 0.000 2.059 718 K HA -0.223 4.112 4.320 0.026 0.000 0.212 718 K C 1.675 178.300 176.600 0.041 0.000 1.050 718 K CA 2.080 58.386 56.287 0.032 0.000 0.927 718 K CB -1.021 31.495 32.500 0.027 0.000 0.714 718 K HN 0.960 nan 8.250 nan 0.000 0.447 719 D N -0.884 119.545 120.400 0.049 0.000 2.340 719 D HA 0.168 4.823 4.640 0.026 0.000 0.217 719 D C -0.174 176.181 176.300 0.092 0.000 1.081 719 D CA -0.285 53.751 54.000 0.060 0.000 0.842 719 D CB 0.289 41.124 40.800 0.057 0.000 0.934 719 D HN 0.148 nan 8.370 nan 0.000 0.511 720 V N 2.132 122.109 119.914 0.105 0.000 2.341 720 V HA 0.103 4.239 4.120 0.026 0.000 0.248 720 V C 0.412 176.588 176.094 0.137 0.000 1.107 720 V CA -0.176 62.229 62.300 0.174 0.000 1.069 720 V CB -0.472 31.460 31.823 0.181 0.000 1.177 720 V HN 0.227 nan 8.190 nan 0.000 0.492 721 L N 2.970 124.267 121.223 0.122 0.000 2.439 721 L HA 0.350 4.705 4.340 0.026 0.000 0.259 721 L C 1.812 178.695 176.870 0.021 0.000 1.129 721 L CA -0.042 54.831 54.840 0.056 0.000 0.803 721 L CB 0.902 42.978 42.059 0.028 0.000 1.161 721 L HN 0.536 nan 8.230 nan 0.000 0.462 722 S N -0.359 115.334 115.700 -0.011 0.000 2.368 722 S HA -0.165 4.321 4.470 0.026 0.000 0.225 722 S C 0.861 175.413 174.600 -0.080 0.000 1.030 722 S CA 0.899 59.071 58.200 -0.046 0.000 0.999 722 S CB -0.160 63.018 63.200 -0.036 0.000 0.844 722 S HN 0.743 nan 8.310 nan 0.000 0.459 723 D N 0.957 121.316 120.400 -0.068 0.000 2.367 723 D HA 0.124 4.780 4.640 0.026 0.000 0.255 723 D C 1.091 177.332 176.300 -0.097 0.000 1.300 723 D CA 0.053 53.997 54.000 -0.093 0.000 0.959 723 D CB 0.323 41.069 40.800 -0.090 0.000 1.064 723 D HN 0.320 nan 8.370 nan 0.000 0.509 724 R N 2.717 123.126 120.500 -0.151 0.000 2.115 724 R HA -0.126 4.229 4.340 0.026 0.000 0.230 724 R C 2.037 178.326 176.300 -0.018 0.000 1.111 724 R CA 1.045 57.041 56.100 -0.174 0.000 0.976 724 R CB 0.169 30.211 30.300 -0.430 0.000 0.870 724 R HN 0.347 nan 8.270 nan 0.000 0.445 725 K N 0.552 120.867 120.400 -0.143 0.000 2.026 725 K HA -0.263 4.073 4.320 0.026 0.000 0.208 725 K C 2.157 178.562 176.600 -0.326 0.000 1.048 725 K CA 1.776 57.838 56.287 -0.374 0.000 0.929 725 K CB 0.019 32.149 32.500 -0.617 0.000 0.713 725 K HN -0.076 nan 8.250 nan 0.000 0.439 726 Q N 0.387 120.046 119.800 -0.235 0.000 2.170 726 Q HA -0.097 4.259 4.340 0.026 0.000 0.203 726 Q C 1.689 177.633 176.000 -0.093 0.000 0.976 726 Q CA 2.172 57.859 55.803 -0.194 0.000 0.858 726 Q CB -0.404 28.251 28.738 -0.138 0.000 0.907 726 Q HN 0.373 nan 8.270 nan 0.000 0.433 727 T N -0.530 114.031 114.554 0.012 0.000 2.674 727 T HA -0.189 4.176 4.350 0.026 0.000 0.265 727 T C 1.903 176.707 174.700 0.172 0.000 1.039 727 T CA 1.430 63.609 62.100 0.133 0.000 1.150 727 T CB -0.757 68.286 68.868 0.292 0.000 0.864 727 T HN 0.406 nan 8.240 nan 0.000 0.427 728 C N 1.531 120.973 119.300 0.236 0.000 2.398 728 C HA -0.107 4.368 4.460 0.026 0.000 0.276 728 C C 2.751 177.734 174.990 -0.012 0.000 1.222 728 C CA 0.687 59.847 59.018 0.238 0.000 1.746 728 C CB -0.870 27.068 27.740 0.330 0.000 2.039 728 C HN 0.598 nan 8.230 nan 0.000 0.470 729 K N 0.590 120.870 120.400 -0.200 0.000 2.057 729 K HA -0.132 4.203 4.320 0.026 0.000 0.207 729 K C 1.722 178.235 176.600 -0.145 0.000 1.049 729 K CA 1.496 57.483 56.287 -0.500 0.000 0.931 729 K CB -0.312 31.691 32.500 -0.828 0.000 0.714 729 K HN 0.507 nan 8.250 nan 0.000 0.440 730 N N 0.582 119.245 118.700 -0.063 0.000 2.171 730 N HA -0.099 4.656 4.740 0.026 0.000 0.184 730 N C 1.920 177.472 175.510 0.070 0.000 1.021 730 N CA 0.842 53.900 53.050 0.014 0.000 0.854 730 N CB -0.398 38.100 38.487 0.017 0.000 0.994 730 N HN -0.065 nan 8.380 nan 0.000 0.426 731 V N 1.337 121.312 119.914 0.101 0.000 2.358 731 V HA -0.132 4.004 4.120 0.026 0.000 0.246 731 V C 2.303 178.485 176.094 0.148 0.000 1.047 731 V CA 0.924 63.308 62.300 0.140 0.000 1.035 731 V CB -0.461 31.487 31.823 0.209 0.000 0.658 731 V HN 0.172 nan 8.190 nan 0.000 0.452 732 L N 0.399 121.698 121.223 0.127 0.000 2.056 732 L HA -0.130 4.226 4.340 0.026 0.000 0.207 732 L C 2.334 179.226 176.870 0.036 0.000 1.078 732 L CA 1.881 56.737 54.840 0.026 0.000 0.749 732 L CB -0.794 41.121 42.059 -0.239 0.000 0.901 732 L HN 0.377 nan 8.230 nan 0.000 0.433 733 E N -0.704 119.589 120.200 0.156 0.000 2.268 733 E HA -0.189 4.176 4.350 0.026 0.000 0.195 733 E C 1.800 178.506 176.600 0.178 0.000 0.995 733 E CA 0.880 57.432 56.400 0.252 0.000 0.836 733 E CB 0.030 29.889 29.700 0.264 0.000 0.763 733 E HN 0.566 nan 8.360 nan 0.000 0.491 734 K N 0.104 120.582 120.400 0.131 0.000 2.262 734 K HA 0.059 4.394 4.320 0.026 0.000 0.200 734 K C 2.057 178.725 176.600 0.114 0.000 1.049 734 K CA 0.343 56.695 56.287 0.110 0.000 0.979 734 K CB 0.266 32.817 32.500 0.086 0.000 0.773 734 K HN 0.127 nan 8.250 nan 0.000 0.474 735 L N 0.726 122.020 121.223 0.119 0.000 2.127 735 L HA 0.088 4.444 4.340 0.026 0.000 0.203 735 L C 0.984 177.981 176.870 0.211 0.000 1.080 735 L CA 0.743 55.663 54.840 0.133 0.000 0.768 735 L CB 0.126 42.234 42.059 0.082 0.000 0.924 735 L HN 0.035 nan 8.230 nan 0.000 0.444 736 I N 0.003 120.690 120.570 0.194 0.000 2.420 736 I HA 0.080 4.265 4.170 0.026 0.000 0.282 736 I C 0.695 176.966 176.117 0.256 0.000 1.019 736 I CA -0.295 61.141 61.300 0.226 0.000 1.130 736 I CB 2.005 40.172 38.000 0.279 0.000 1.262 736 I HN 0.077 nan 8.210 nan 0.000 0.454 737 L N 2.957 124.275 121.223 0.159 0.000 2.017 737 L HA -0.086 4.269 4.340 0.026 0.000 0.208 737 L C 1.071 178.007 176.870 0.110 0.000 1.073 737 L CA 1.144 56.061 54.840 0.129 0.000 0.745 737 L CB -0.211 41.894 42.059 0.077 0.000 0.894 737 L HN 0.633 nan 8.230 nan 0.000 0.432 738 D N 1.270 121.712 120.400 0.071 0.000 2.342 738 D HA 0.072 4.727 4.640 0.026 0.000 0.260 738 D C 1.016 177.247 176.300 -0.115 0.000 1.278 738 D CA 0.364 54.363 54.000 -0.002 0.000 0.910 738 D CB 1.403 42.197 40.800 -0.010 0.000 1.079 738 D HN 0.058 nan 8.370 nan 0.000 0.496 739 K N 2.359 122.646 120.400 -0.189 0.000 2.439 739 K HA -0.062 4.274 4.320 0.026 0.000 0.197 739 K C 1.620 177.885 176.600 -0.559 0.000 1.041 739 K CA 1.579 57.566 56.287 -0.499 0.000 0.970 739 K CB -1.097 31.272 32.500 -0.218 0.000 0.773 739 K HN 0.659 nan 8.250 nan 0.000 0.479 740 D N 1.054 121.289 120.400 -0.276 0.000 2.371 740 D HA -0.088 4.567 4.640 0.026 0.000 0.221 740 D C 1.804 178.048 176.300 -0.094 0.000 0.986 740 D CA 0.780 54.696 54.000 -0.140 0.000 0.899 740 D CB -0.209 40.562 40.800 -0.048 0.000 0.902 740 D HN 0.329 nan 8.370 nan 0.000 0.530 741 K N -0.606 119.663 120.400 -0.217 0.000 2.487 741 K HA 0.170 4.505 4.320 0.026 0.000 0.192 741 K C -0.469 176.259 176.600 0.213 0.000 1.027 741 K CA 0.192 56.486 56.287 0.011 0.000 1.054 741 K CB -0.229 32.353 32.500 0.137 0.000 0.824 741 K HN 0.802 nan 8.250 nan 0.000 0.510 742 Y N -2.564 117.801 120.300 0.108 0.000 2.677 742 Y HA 0.517 5.082 4.550 0.024 0.000 0.334 742 Y C -1.115 174.568 175.900 -0.361 0.000 1.196 742 Y CA -1.478 56.554 58.100 -0.112 0.000 1.059 742 Y CB 0.811 38.944 38.460 -0.545 0.000 1.315 742 Y HN -0.306 nan 8.280 nan 0.000 0.455 743 Q N 1.462 121.024 119.800 -0.396 0.000 2.305 743 Q HA 0.399 4.754 4.340 0.026 0.000 0.271 743 Q C -1.955 173.734 176.000 -0.518 0.000 1.046 743 Q CA -0.633 54.844 55.803 -0.544 0.000 0.798 743 Q CB 2.933 31.258 28.738 -0.688 0.000 1.286 743 Q HN 0.706 nan 8.270 nan 0.000 0.435 744 F N 1.072 120.937 119.950 -0.141 0.000 2.413 744 F HA 0.450 4.989 4.527 0.022 0.000 0.359 744 F C 1.208 176.929 175.800 -0.132 0.000 1.122 744 F CA -0.332 57.628 58.000 -0.066 0.000 1.160 744 F CB 0.723 39.748 39.000 0.041 0.000 1.146 744 F HN 0.495 nan 8.300 nan 0.000 0.514 745 G N 2.584 111.384 108.800 -0.000 0.000 2.535 745 G HA2 0.205 4.181 3.960 0.026 0.000 0.303 745 G HA3 0.205 4.181 3.960 0.026 0.000 0.303 745 G C 0.841 175.829 174.900 0.147 0.000 1.237 745 G CA -0.579 44.461 45.100 -0.099 0.000 0.986 745 G HN 0.611 nan 8.290 nan 0.000 0.494 746 K N -1.582 118.855 120.400 0.063 0.000 2.026 746 K HA -0.120 4.216 4.320 0.026 0.000 0.208 746 K C 2.258 178.995 176.600 0.229 0.000 1.048 746 K CA 2.234 58.579 56.287 0.097 0.000 0.929 746 K CB -0.127 32.390 32.500 0.029 0.000 0.713 746 K HN 0.552 nan 8.250 nan 0.000 0.439 747 T N -2.940 111.756 114.554 0.237 0.000 2.975 747 T HA 0.292 4.658 4.350 0.026 0.000 0.257 747 T C 0.194 175.024 174.700 0.218 0.000 1.003 747 T CA -0.526 61.749 62.100 0.292 0.000 0.932 747 T CB 0.408 69.373 68.868 0.162 0.000 1.087 747 T HN -0.041 nan 8.240 nan 0.000 0.512 748 K N 0.666 121.104 120.400 0.063 0.000 2.502 748 K HA 0.613 4.948 4.320 0.026 0.000 0.257 748 K C -1.373 175.105 176.600 -0.203 0.000 0.938 748 K CA -0.836 55.400 56.287 -0.084 0.000 0.819 748 K CB 2.673 35.298 32.500 0.208 0.000 1.333 748 K HN 0.137 nan 8.250 nan 0.000 0.434 749 I N 2.659 123.068 120.570 -0.268 0.000 2.342 749 I HA 0.268 4.453 4.170 0.026 0.000 0.291 749 I C -0.459 175.677 176.117 0.031 0.000 1.010 749 I CA -0.352 60.784 61.300 -0.274 0.000 1.308 749 I CB 0.439 38.095 38.000 -0.574 0.000 1.400 749 I HN 0.322 nan 8.210 nan 0.000 0.488 750 F N 5.652 125.375 119.950 -0.378 0.000 2.415 750 F HA 0.488 5.030 4.527 0.024 0.000 0.348 750 F C -0.265 175.501 175.800 -0.058 0.000 1.119 750 F CA -0.707 57.224 58.000 -0.116 0.000 1.069 750 F CB 1.094 39.939 39.000 -0.258 0.000 1.124 750 F HN 0.256 nan 8.300 nan 0.000 0.472 751 F N 2.779 122.951 119.950 0.371 0.000 2.508 751 F HA 0.515 5.055 4.527 0.022 0.000 0.325 751 F C 0.389 176.339 175.800 0.249 0.000 1.090 751 F CA -1.363 56.835 58.000 0.330 0.000 0.945 751 F CB 1.015 40.077 39.000 0.104 0.000 1.156 751 F HN 0.285 nan 8.300 nan 0.000 0.463 752 R N 1.160 121.800 120.500 0.233 0.000 2.924 752 R HA 0.250 4.606 4.340 0.026 0.000 0.272 752 R C 0.033 176.358 176.300 0.042 0.000 1.012 752 R CA -0.167 55.872 56.100 -0.102 0.000 1.171 752 R CB 0.169 30.359 30.300 -0.182 0.000 1.086 752 R HN 0.792 nan 8.270 nan 0.000 0.489 753 A N 0.151 122.965 122.820 -0.010 0.000 2.498 753 A HA 0.384 4.719 4.320 0.026 0.000 0.239 753 A C 1.350 178.942 177.584 0.013 0.000 1.068 753 A CA 0.766 52.808 52.037 0.009 0.000 0.766 753 A CB -0.245 18.778 19.000 0.038 0.000 1.003 753 A HN 0.863 nan 8.150 nan 0.000 0.497 754 G N 0.421 109.165 108.800 -0.093 0.000 2.241 754 G HA2 -0.269 3.706 3.960 0.026 0.000 0.244 754 G HA3 -0.269 3.706 3.960 0.026 0.000 0.244 754 G C 0.883 175.709 174.900 -0.123 0.000 0.998 754 G CA 0.720 45.740 45.100 -0.133 0.000 0.621 754 G HN 0.655 nan 8.290 nan 0.000 0.519 755 Q N 0.326 120.085 119.800 -0.068 0.000 2.062 755 Q HA 0.186 4.542 4.340 0.026 0.000 0.196 755 Q C 2.956 178.836 176.000 -0.200 0.000 0.967 755 Q CA 1.616 57.421 55.803 0.003 0.000 0.832 755 Q CB -0.748 28.113 28.738 0.205 0.000 0.899 755 Q HN 0.552 nan 8.270 nan 0.000 0.442 756 V N 1.561 121.202 119.914 -0.454 0.000 2.343 756 V HA -0.230 3.906 4.120 0.026 0.000 0.247 756 V C 2.371 178.253 176.094 -0.353 0.000 1.051 756 V CA 1.697 63.636 62.300 -0.601 0.000 1.036 756 V CB -1.133 30.326 31.823 -0.606 0.000 0.654 756 V HN 0.313 nan 8.190 nan 0.000 0.451 757 A N -0.644 121.963 122.820 -0.356 0.000 1.908 757 A HA -0.299 4.036 4.320 0.026 0.000 0.218 757 A C 2.178 179.680 177.584 -0.137 0.000 1.181 757 A CA 2.269 54.105 52.037 -0.335 0.000 0.627 757 A CB -0.830 17.649 19.000 -0.869 0.000 0.818 757 A HN 0.649 nan 8.150 nan 0.000 0.445 758 Y N 0.672 120.857 120.300 -0.191 0.000 2.145 758 Y HA -0.181 4.377 4.550 0.014 0.000 0.286 758 Y C 1.952 177.765 175.900 -0.145 0.000 1.145 758 Y CA 1.816 59.855 58.100 -0.102 0.000 1.148 758 Y CB -0.418 38.007 38.460 -0.059 0.000 0.981 758 Y HN 0.221 nan 8.280 nan 0.000 0.507 759 L N -0.012 120.973 121.223 -0.396 0.000 2.079 759 L HA -0.223 4.133 4.340 0.026 0.000 0.210 759 L C 2.427 179.082 176.870 -0.359 0.000 1.081 759 L CA 1.585 56.072 54.840 -0.589 0.000 0.752 759 L CB -0.600 40.889 42.059 -0.950 0.000 0.896 759 L HN 0.231 nan 8.230 nan 0.000 0.433 760 E N 0.141 120.230 120.200 -0.186 0.000 2.204 760 E HA -0.212 4.153 4.350 0.026 0.000 0.194 760 E C 2.038 178.576 176.600 -0.103 0.000 0.989 760 E CA 0.838 57.208 56.400 -0.050 0.000 0.824 760 E CB -0.028 29.660 29.700 -0.020 0.000 0.756 760 E HN 0.441 nan 8.360 nan 0.000 0.477 761 K N 1.295 121.593 120.400 -0.170 0.000 2.031 761 K HA -0.084 4.252 4.320 0.026 0.000 0.205 761 K C 2.375 178.861 176.600 -0.191 0.000 1.049 761 K CA 1.115 57.314 56.287 -0.147 0.000 0.939 761 K CB -0.141 32.295 32.500 -0.106 0.000 0.717 761 K HN 0.173 nan 8.250 nan 0.000 0.438 762 I N -1.535 118.831 120.570 -0.339 0.000 2.315 762 I HA -0.187 3.998 4.170 0.026 0.000 0.248 762 I C 2.534 178.557 176.117 -0.157 0.000 1.117 762 I CA 1.076 62.217 61.300 -0.265 0.000 1.404 762 I CB -0.513 37.270 38.000 -0.362 0.000 1.071 762 I HN 0.112 nan 8.210 nan 0.000 0.419 763 R N 1.948 122.366 120.500 -0.136 0.000 2.070 763 R HA -0.125 4.231 4.340 0.026 0.000 0.233 763 R C 2.479 178.745 176.300 -0.056 0.000 1.137 763 R CA 1.780 57.845 56.100 -0.060 0.000 0.945 763 R CB -0.413 29.898 30.300 0.018 0.000 0.845 763 R HN 0.470 nan 8.270 nan 0.000 0.430 764 A N 1.274 124.059 122.820 -0.058 0.000 1.940 764 A HA -0.211 4.124 4.320 0.026 0.000 0.219 764 A C 1.692 179.249 177.584 -0.046 0.000 1.176 764 A CA 2.014 54.022 52.037 -0.048 0.000 0.631 764 A CB -0.580 18.393 19.000 -0.044 0.000 0.814 764 A HN 0.442 nan 8.150 nan 0.000 0.446 765 D N -0.667 119.700 120.400 -0.055 0.000 2.117 765 D HA -0.126 4.529 4.640 0.026 0.000 0.198 765 D C 1.910 178.188 176.300 -0.036 0.000 0.982 765 D CA 1.451 55.426 54.000 -0.042 0.000 0.828 765 D CB -0.246 40.527 40.800 -0.045 0.000 0.967 765 D HN 0.574 nan 8.370 nan 0.000 0.464 766 K N 0.138 120.512 120.400 -0.044 0.000 2.032 766 K HA -0.153 4.182 4.320 0.026 0.000 0.209 766 K C 2.071 178.652 176.600 -0.031 0.000 1.048 766 K CA 0.838 57.103 56.287 -0.036 0.000 0.927 766 K CB -0.097 32.378 32.500 -0.042 0.000 0.712 766 K HN -0.031 nan 8.250 nan 0.000 0.441 767 L N 0.929 122.131 121.223 -0.035 0.000 2.093 767 L HA -0.084 4.272 4.340 0.026 0.000 0.208 767 L C 2.524 179.379 176.870 -0.026 0.000 1.085 767 L CA 1.478 56.299 54.840 -0.031 0.000 0.755 767 L CB -0.508 41.531 42.059 -0.035 0.000 0.904 767 L HN 0.177 nan 8.230 nan 0.000 0.435 768 R N -0.540 119.945 120.500 -0.025 0.000 2.081 768 R HA -0.155 4.200 4.340 0.026 0.000 0.235 768 R C 2.222 178.513 176.300 -0.016 0.000 1.131 768 R CA 1.375 57.463 56.100 -0.020 0.000 0.960 768 R CB -0.204 30.084 30.300 -0.019 0.000 0.856 768 R HN 0.342 nan 8.270 nan 0.000 0.436 769 A N 0.727 123.537 122.820 -0.016 0.000 1.855 769 A HA -0.057 4.278 4.320 0.026 0.000 0.215 769 A C 2.388 179.965 177.584 -0.011 0.000 1.191 769 A CA 1.550 53.580 52.037 -0.011 0.000 0.613 769 A CB -0.982 18.012 19.000 -0.011 0.000 0.829 769 A HN 0.520 nan 8.150 nan 0.000 0.442 770 A N -0.938 121.873 122.820 -0.015 0.000 1.892 770 A HA -0.283 4.053 4.320 0.026 0.000 0.218 770 A C 2.445 180.020 177.584 -0.015 0.000 1.188 770 A CA 1.956 53.983 52.037 -0.016 0.000 0.631 770 A CB -1.534 17.454 19.000 -0.020 0.000 0.822 770 A HN 0.820 nan 8.150 nan 0.000 0.447 771 C N -0.563 118.728 119.300 -0.016 0.000 2.413 771 C HA -0.091 4.385 4.460 0.026 0.000 0.276 771 C C 2.584 177.568 174.990 -0.009 0.000 1.236 771 C CA 1.167 60.176 59.018 -0.015 0.000 1.735 771 C CB -1.397 26.333 27.740 -0.016 0.000 2.031 771 C HN 0.596 nan 8.230 nan 0.000 0.474 772 I N 0.131 120.697 120.570 -0.007 0.000 2.315 772 I HA -0.152 4.033 4.170 0.026 0.000 0.248 772 I C 2.858 178.975 176.117 0.000 0.000 1.117 772 I CA 1.522 62.821 61.300 -0.002 0.000 1.404 772 I CB -0.640 37.359 38.000 -0.002 0.000 1.071 772 I HN 0.388 nan 8.210 nan 0.000 0.419 773 R N 1.436 121.935 120.500 -0.002 0.000 2.073 773 R HA -0.159 4.197 4.340 0.026 0.000 0.234 773 R C 2.330 178.630 176.300 -0.000 0.000 1.134 773 R CA 1.602 57.702 56.100 -0.000 0.000 0.952 773 R CB -0.170 30.128 30.300 -0.003 0.000 0.850 773 R HN 0.274 nan 8.270 nan 0.000 0.433 774 I N 1.417 121.983 120.570 -0.006 0.000 2.179 774 I HA -0.317 3.868 4.170 0.026 0.000 0.242 774 I C 2.633 178.749 176.117 -0.002 0.000 1.088 774 I CA 1.556 62.849 61.300 -0.011 0.000 1.357 774 I CB -0.474 37.513 38.000 -0.021 0.000 1.051 774 I HN 0.419 nan 8.210 nan 0.000 0.409 775 Q N 2.237 122.038 119.800 0.002 0.000 2.245 775 Q HA -0.198 4.158 4.340 0.026 0.000 0.201 775 Q C 1.975 177.990 176.000 0.025 0.000 0.955 775 Q CA 1.229 57.038 55.803 0.011 0.000 0.870 775 Q CB -0.409 28.334 28.738 0.007 0.000 0.945 775 Q HN 0.594 nan 8.270 nan 0.000 0.461 776 K N 0.835 121.248 120.400 0.022 0.000 2.155 776 K HA -0.022 4.313 4.320 0.026 0.000 0.203 776 K C 1.643 178.269 176.600 0.044 0.000 1.052 776 K CA 1.548 57.852 56.287 0.029 0.000 0.948 776 K CB -0.203 32.309 32.500 0.020 0.000 0.728 776 K HN 0.034 nan 8.250 nan 0.000 0.448 777 T N 2.007 116.586 114.554 0.041 0.000 2.777 777 T HA -0.004 4.361 4.350 0.026 0.000 0.266 777 T C 1.955 176.717 174.700 0.103 0.000 1.040 777 T CA 1.288 63.423 62.100 0.059 0.000 1.141 777 T CB -0.177 68.710 68.868 0.031 0.000 0.868 777 T HN 0.163 nan 8.240 nan 0.000 0.444 778 I N 0.678 121.294 120.570 0.076 0.000 2.226 778 I HA -0.174 4.011 4.170 0.026 0.000 0.245 778 I C 2.860 179.093 176.117 0.193 0.000 1.100 778 I CA 1.288 62.659 61.300 0.118 0.000 1.374 778 I CB -0.301 37.729 38.000 0.050 0.000 1.057 778 I HN 0.123 nan 8.210 nan 0.000 0.413 779 R N 0.522 121.095 120.500 0.122 0.000 2.092 779 R HA -0.100 4.255 4.340 0.026 0.000 0.231 779 R C 2.410 178.773 176.300 0.105 0.000 1.119 779 R CA 1.365 57.527 56.100 0.103 0.000 0.970 779 R CB -0.637 29.699 30.300 0.060 0.000 0.864 779 R HN 0.458 nan 8.270 nan 0.000 0.440 780 G N 0.344 109.209 108.800 0.109 0.000 2.459 780 G HA2 -0.310 3.666 3.960 0.026 0.000 0.217 780 G HA3 -0.310 3.666 3.960 0.026 0.000 0.217 780 G C 1.161 176.138 174.900 0.128 0.000 1.183 780 G CA 0.671 45.827 45.100 0.094 0.000 0.776 780 G HN 0.476 nan 8.290 nan 0.000 0.552 781 W N 1.244 122.550 121.300 0.010 0.000 2.335 781 W HA -0.048 4.628 4.660 0.026 0.000 0.311 781 W C 2.402 178.934 176.519 0.021 0.000 1.213 781 W CA 1.502 58.856 57.345 0.015 0.000 1.274 781 W CB -0.391 29.075 29.460 0.011 0.000 1.148 781 W HN 0.137 nan 8.180 nan 0.000 0.498 782 L N -0.007 121.349 121.223 0.222 0.000 2.043 782 L HA -0.329 4.027 4.340 0.026 0.000 0.212 782 L C 2.635 179.426 176.870 -0.132 0.000 1.075 782 L CA 1.411 56.251 54.840 -0.001 0.000 0.752 782 L CB -0.834 41.321 42.059 0.161 0.000 0.891 782 L HN 0.082 nan 8.230 nan 0.000 0.432 783 M N -0.982 118.588 119.600 -0.049 0.000 2.319 783 M HA -0.121 4.374 4.480 0.026 0.000 0.265 783 M C 2.350 178.619 176.300 -0.051 0.000 1.068 783 M CA 1.508 56.783 55.300 -0.040 0.000 1.118 783 M CB -0.856 31.734 32.600 -0.017 0.000 1.395 783 M HN 0.184 nan 8.290 nan 0.000 0.435 784 R N -0.291 120.145 120.500 -0.107 0.000 2.090 784 R HA -0.082 4.273 4.340 0.026 0.000 0.228 784 R C 2.203 178.413 176.300 -0.150 0.000 1.110 784 R CA 0.807 56.859 56.100 -0.079 0.000 0.973 784 R CB 0.008 30.245 30.300 -0.105 0.000 0.869 784 R HN 0.221 nan 8.270 nan 0.000 0.440 785 K N 0.935 121.106 120.400 -0.380 0.000 2.026 785 K HA -0.165 4.171 4.320 0.026 0.000 0.208 785 K C 1.938 178.411 176.600 -0.212 0.000 1.048 785 K CA 1.193 57.235 56.287 -0.408 0.000 0.929 785 K CB -0.195 31.867 32.500 -0.729 0.000 0.713 785 K HN 0.104 nan 8.250 nan 0.000 0.439 786 K N 0.052 120.363 120.400 -0.150 0.000 2.057 786 K HA -0.208 4.127 4.320 0.026 0.000 0.207 786 K C 2.257 178.845 176.600 -0.021 0.000 1.049 786 K CA 1.277 57.524 56.287 -0.067 0.000 0.931 786 K CB -0.283 32.201 32.500 -0.028 0.000 0.714 786 K HN 0.027 nan 8.250 nan 0.000 0.440 787 Y N 0.937 121.173 120.300 -0.106 0.000 2.165 787 Y HA -0.298 4.268 4.550 0.026 0.000 0.286 787 Y C 2.474 178.328 175.900 -0.077 0.000 1.155 787 Y CA 2.568 60.620 58.100 -0.080 0.000 1.164 787 Y CB -0.633 37.782 38.460 -0.075 0.000 0.978 787 Y HN 0.122 nan 8.280 nan 0.000 0.513 788 M N 0.246 119.713 119.600 -0.221 0.000 2.159 788 M HA -0.180 4.316 4.480 0.026 0.000 0.263 788 M C 2.330 178.491 176.300 -0.232 0.000 1.063 788 M CA 2.510 57.651 55.300 -0.264 0.000 1.110 788 M CB -1.354 31.153 32.600 -0.154 0.000 1.374 788 M HN 0.406 nan 8.290 nan 0.000 0.411 789 R N 0.396 120.794 120.500 -0.170 0.000 2.081 789 R HA -0.083 4.272 4.340 0.026 0.000 0.235 789 R C 2.350 178.569 176.300 -0.135 0.000 1.131 789 R CA 2.019 58.043 56.100 -0.127 0.000 0.960 789 R CB -0.561 29.684 30.300 -0.092 0.000 0.856 789 R HN 0.913 nan 8.270 nan 0.000 0.436 790 M N -0.952 118.553 119.600 -0.158 0.000 2.349 790 M HA 0.021 4.516 4.480 0.026 0.000 0.266 790 M C 2.076 178.259 176.300 -0.195 0.000 1.076 790 M CA 1.341 56.562 55.300 -0.131 0.000 1.126 790 M CB -0.287 32.276 32.600 -0.061 0.000 1.392 790 M HN -0.069 nan 8.290 nan 0.000 0.440 791 R N 1.280 121.570 120.500 -0.350 0.000 2.092 791 R HA 0.014 4.369 4.340 0.026 0.000 0.231 791 R C 2.175 178.358 176.300 -0.195 0.000 1.119 791 R CA 1.273 57.162 56.100 -0.352 0.000 0.970 791 R CB -0.005 29.961 30.300 -0.557 0.000 0.864 791 R HN 0.441 nan 8.270 nan 0.000 0.440 792 R N -1.218 119.182 120.500 -0.167 0.000 2.235 792 R HA 0.006 4.362 4.340 0.026 0.000 0.213 792 R C 0.905 177.157 176.300 -0.081 0.000 1.059 792 R CA 0.803 56.838 56.100 -0.108 0.000 0.997 792 R CB 0.309 30.553 30.300 -0.094 0.000 0.884 792 R HN 0.478 nan 8.270 nan 0.000 0.462 793 G N 0.938 109.688 108.800 -0.083 0.000 2.135 793 G HA2 -0.176 3.800 3.960 0.026 0.000 0.183 793 G HA3 -0.176 3.800 3.960 0.026 0.000 0.183 793 G C 0.038 174.910 174.900 -0.048 0.000 1.004 793 G CA 0.115 45.180 45.100 -0.058 0.000 0.677 793 G HN 0.222 nan 8.290 nan 0.000 0.512 794 D N 0.320 120.688 120.400 -0.053 0.000 2.263 794 D HA 0.401 5.057 4.640 0.026 0.000 0.208 794 D C 1.532 177.813 176.300 -0.031 0.000 0.971 794 D CA 2.107 56.082 54.000 -0.041 0.000 0.867 794 D CB 0.223 40.996 40.800 -0.045 0.000 0.929 794 D HN 1.475 nan 8.370 nan 0.000 0.492 795 A N 0.000 122.801 122.820 -0.032 0.000 2.254 795 A HA 0.000 4.335 4.320 0.026 0.000 0.244 795 A CA 0.000 nan 52.037 nan 0.000 0.836 795 A CB 0.000 19.015 19.000 0.026 0.000 0.831 795 A HN 0.000 nan 8.150 nan 0.000 0.486