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 3req_1_B DATA FIRST_RESID 16 DATA SEQUENCE LTPTTLSLAG DFPKATEEQW EREVEKVLNR GRPPEKQLTF AECLKRLTVH DATA SEQUENCE TVDGIDIVPM YRPKDAPKKL GYPGVAPFTR GTTVRNGDMD AWDVRALHED DATA SEQUENCE PDEKFTRKAI LEGLERGVTS LLLRVDPDAI APEHLDEVLS DVLLEMTKVE DATA SEQUENCE VFSRYDQGAA AEALVSVYER SDKPAKDLAL NLGLDPIGFA ALQGTEPDLT DATA SEQUENCE VLGDWVRRLA KFSPDSRAVT IDANIYHNAG AGDVAELAWA LATGAEYVRA DATA SEQUENCE LVEQGFTATE AFDTINFRVT ATHDQFLTIA RLRALREAWA RIGEVFGVDE DATA SEQUENCE DKRGARQNAI TSWRELTRED PYVNILRGSI ATFSASVGGA ESITTLPFTQ DATA SEQUENCE ALGLPEDDFP LRIARNTGIV LAEEVNIGRV NDPAGGSYYV ESLTRSLADA DATA SEQUENCE AWKEFQEVEK LGGMSKAVMT EHVTKVLDAC NAERAKRLAN RKQPITAVSE DATA SEQUENCE FPMIGARSIE TKPFPAAPAR KGLAWHRDSE VFEQLMDRST SVSERPKVFL DATA SEQUENCE ACLGTRRDFG GREGFSSPVW HIAGIDTPQV EXXTTAEIVE AFKKSGAQVA DATA SEQUENCE DLCSSAKVYA QQGLEVAKAL KAAGAKALYL SGAFKEFGDD AAEAEKLIDG DATA SEQUENCE RLFMGMDVVD TLSSTLDILG VA 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 16 L HA 0.000 nan 4.340 nan 0.000 0.249 16 L C 0.000 176.873 176.870 0.005 0.000 1.165 16 L CA 0.000 54.842 54.840 0.004 0.000 0.813 16 L CB 0.000 42.061 42.059 0.004 0.000 0.961 17 T N 3.200 117.757 114.554 0.005 0.000 2.736 17 T HA 0.257 4.606 4.350 -0.001 0.000 0.275 17 T C -2.318 172.386 174.700 0.006 0.000 0.962 17 T CA -0.397 61.707 62.100 0.006 0.000 1.214 17 T CB -0.537 68.335 68.868 0.006 0.000 0.904 17 T HN 0.251 nan 8.240 nan 0.000 0.529 18 P HA 0.200 nan 4.420 nan 0.000 0.275 18 P C 0.984 178.288 177.300 0.006 0.000 1.227 18 P CA -0.447 62.656 63.100 0.005 0.000 0.781 18 P CB 0.810 32.513 31.700 0.005 0.000 0.906 19 T N -1.795 112.762 114.554 0.005 0.000 2.937 19 T HA 0.036 4.385 4.350 -0.001 0.000 0.260 19 T C 0.706 175.410 174.700 0.007 0.000 1.051 19 T CA 0.793 62.897 62.100 0.006 0.000 1.141 19 T CB -0.574 68.297 68.868 0.005 0.000 0.879 19 T HN 0.620 nan 8.240 nan 0.000 0.459 20 T N 0.616 115.173 114.554 0.006 0.000 2.965 20 T HA 0.694 5.044 4.350 -0.001 0.000 0.306 20 T C -0.882 173.821 174.700 0.006 0.000 0.991 20 T CA -1.002 61.102 62.100 0.007 0.000 1.001 20 T CB 1.314 70.185 68.868 0.006 0.000 0.984 20 T HN 0.507 nan 8.240 nan 0.000 0.446 21 L N 1.642 122.870 121.223 0.008 0.000 2.371 21 L HA 0.950 5.289 4.340 -0.001 0.000 0.262 21 L C -0.632 176.244 176.870 0.011 0.000 1.006 21 L CA -0.743 54.102 54.840 0.007 0.000 0.818 21 L CB 2.388 44.452 42.059 0.008 0.000 1.354 21 L HN 0.773 nan 8.230 nan 0.000 0.415 22 S N 2.741 118.445 115.700 0.006 0.000 2.472 22 S HA 0.616 5.085 4.470 -0.001 0.000 0.303 22 S C 0.000 174.613 174.600 0.022 0.000 1.099 22 S CA -0.699 57.508 58.200 0.013 0.000 1.077 22 S CB 1.661 64.863 63.200 0.003 0.000 1.031 22 S HN 0.789 nan 8.310 nan 0.000 0.487 23 L N 2.543 123.802 121.223 0.059 0.000 2.600 23 L HA 0.468 4.808 4.340 -0.001 0.000 0.213 23 L C 2.118 179.127 176.870 0.231 0.000 1.045 23 L CA 0.472 55.383 54.840 0.119 0.000 0.863 23 L CB -0.334 41.791 42.059 0.109 0.000 1.189 23 L HN 0.804 nan 8.230 nan 0.000 0.484 24 A N -0.109 122.818 122.820 0.178 0.000 2.415 24 A HA 0.474 4.794 4.320 -0.001 0.000 0.248 24 A C 1.445 179.121 177.584 0.153 0.000 1.299 24 A CA 0.624 52.790 52.037 0.216 0.000 0.899 24 A CB -0.580 18.491 19.000 0.119 0.000 0.997 24 A HN 0.333 nan 8.150 nan 0.000 0.506 25 G N -1.327 107.524 108.800 0.085 0.000 3.274 25 G HA2 0.234 4.194 3.960 -0.001 0.000 0.250 25 G HA3 0.234 4.194 3.960 -0.001 0.000 0.250 25 G C 0.227 175.096 174.900 -0.051 0.000 1.024 25 G CA 0.245 45.359 45.100 0.023 0.000 0.840 25 G HN 0.288 nan 8.290 nan 0.000 0.522 26 D N -0.088 120.225 120.400 -0.145 0.000 2.367 26 D HA 0.222 4.861 4.640 -0.001 0.000 0.207 26 D C -0.108 175.829 176.300 -0.606 0.000 1.034 26 D CA 0.039 53.804 54.000 -0.392 0.000 0.861 26 D CB 0.419 40.889 40.800 -0.550 0.000 0.943 26 D HN 0.221 nan 8.370 nan 0.000 0.515 27 F N 0.733 120.686 119.950 0.004 0.000 2.523 27 F HA 0.451 4.978 4.527 -0.000 0.000 0.329 27 F C -1.700 174.103 175.800 0.004 0.000 1.061 27 F CA -2.767 55.236 58.000 0.005 0.000 0.967 27 F CB 0.181 39.185 39.000 0.007 0.000 1.218 27 F HN -0.321 nan 8.300 nan 0.000 0.480 28 P HA 0.244 nan 4.420 nan 0.000 0.269 28 P C -0.553 176.805 177.300 0.096 0.000 1.209 28 P CA -0.451 62.713 63.100 0.107 0.000 0.776 28 P CB 0.079 31.832 31.700 0.088 0.000 0.876 29 K N 0.908 121.343 120.400 0.059 0.000 2.326 29 K HA 0.552 4.871 4.320 -0.001 0.000 0.275 29 K C 0.294 176.914 176.600 0.033 0.000 1.018 29 K CA -0.018 56.295 56.287 0.043 0.000 0.962 29 K CB 0.043 32.558 32.500 0.025 0.000 0.953 29 K HN 0.717 nan 8.250 nan 0.000 0.475 30 A N 2.190 125.025 122.820 0.025 0.000 2.312 30 A HA 0.719 5.039 4.320 -0.001 0.000 0.326 30 A C 0.652 178.241 177.584 0.009 0.000 1.172 30 A CA 0.071 52.120 52.037 0.020 0.000 0.821 30 A CB 0.465 19.477 19.000 0.020 0.000 1.166 30 A HN 1.107 nan 8.150 nan 0.000 0.493 31 T N -0.776 113.784 114.554 0.010 0.000 2.893 31 T HA 0.411 4.760 4.350 -0.001 0.000 0.279 31 T C 0.824 175.533 174.700 0.015 0.000 0.991 31 T CA -0.142 61.957 62.100 -0.002 0.000 0.950 31 T CB 0.957 69.819 68.868 -0.010 0.000 1.223 31 T HN 0.623 nan 8.240 nan 0.000 0.585 32 E N -0.020 120.182 120.200 0.003 0.000 2.204 32 E HA -0.114 4.235 4.350 -0.001 0.000 0.194 32 E C 1.747 178.343 176.600 -0.005 0.000 0.989 32 E CA 0.811 57.233 56.400 0.036 0.000 0.824 32 E CB -0.006 29.692 29.700 -0.004 0.000 0.756 32 E HN 0.708 nan 8.360 nan 0.000 0.477 33 E N 0.190 120.355 120.200 -0.060 0.000 2.106 33 E HA -0.187 4.163 4.350 -0.001 0.000 0.192 33 E C 1.881 178.434 176.600 -0.080 0.000 0.984 33 E CA 1.037 57.372 56.400 -0.109 0.000 0.806 33 E CB 0.020 29.673 29.700 -0.077 0.000 0.750 33 E HN 0.280 nan 8.360 nan 0.000 0.458 34 Q N -0.857 118.935 119.800 -0.013 0.000 2.245 34 Q HA -0.104 4.236 4.340 -0.001 0.000 0.201 34 Q C 1.578 177.609 176.000 0.051 0.000 0.955 34 Q CA 1.032 56.839 55.803 0.008 0.000 0.870 34 Q CB -0.161 28.593 28.738 0.027 0.000 0.945 34 Q HN 0.438 nan 8.270 nan 0.000 0.461 35 W N 1.811 123.058 121.300 -0.088 0.000 2.443 35 W HA -0.007 4.652 4.660 -0.001 0.000 0.296 35 W C 1.459 177.932 176.519 -0.077 0.000 1.202 35 W CA 0.994 58.301 57.345 -0.063 0.000 1.312 35 W CB 0.096 29.523 29.460 -0.055 0.000 1.120 35 W HN -0.014 nan 8.180 nan 0.000 0.536 36 E N 0.285 120.231 120.200 -0.422 0.000 2.049 36 E HA -0.349 4.001 4.350 -0.001 0.000 0.198 36 E C 2.148 178.550 176.600 -0.330 0.000 1.007 36 E CA 1.940 57.857 56.400 -0.805 0.000 0.809 36 E CB -0.308 28.822 29.700 -0.950 0.000 0.749 36 E HN 0.066 nan 8.360 nan 0.000 0.450 37 R N 1.310 121.692 120.500 -0.196 0.000 2.080 37 R HA -0.155 4.184 4.340 -0.001 0.000 0.236 37 R C 2.019 178.262 176.300 -0.093 0.000 1.137 37 R CA 1.683 57.722 56.100 -0.100 0.000 0.943 37 R CB -0.261 30.000 30.300 -0.065 0.000 0.846 37 R HN 0.109 nan 8.270 nan 0.000 0.431 38 E N -0.180 119.959 120.200 -0.102 0.000 2.209 38 E HA -0.141 4.209 4.350 -0.001 0.000 0.196 38 E C 1.900 178.437 176.600 -0.106 0.000 0.993 38 E CA 1.434 57.788 56.400 -0.077 0.000 0.819 38 E CB -0.016 29.674 29.700 -0.016 0.000 0.745 38 E HN 0.227 nan 8.360 nan 0.000 0.477 39 V N 1.316 121.110 119.914 -0.200 0.000 2.515 39 V HA -0.220 3.900 4.120 -0.001 0.000 0.250 39 V C 1.874 177.892 176.094 -0.126 0.000 1.058 39 V CA 1.735 63.909 62.300 -0.209 0.000 1.064 39 V CB -0.331 31.255 31.823 -0.396 0.000 0.675 39 V HN 0.243 nan 8.190 nan 0.000 0.461 40 E N -0.397 119.753 120.200 -0.083 0.000 2.170 40 E HA -0.112 4.237 4.350 -0.001 0.000 0.191 40 E C 2.183 178.753 176.600 -0.049 0.000 0.981 40 E CA 0.402 56.767 56.400 -0.058 0.000 0.830 40 E CB -0.062 29.624 29.700 -0.023 0.000 0.775 40 E HN 0.392 nan 8.360 nan 0.000 0.470 41 K N 1.078 121.450 120.400 -0.046 0.000 2.228 41 K HA -0.043 4.276 4.320 -0.001 0.000 0.202 41 K C 1.946 178.527 176.600 -0.031 0.000 1.051 41 K CA 0.462 56.729 56.287 -0.034 0.000 0.960 41 K CB 0.268 32.751 32.500 -0.028 0.000 0.743 41 K HN 0.003 nan 8.250 nan 0.000 0.458 42 V N 1.235 121.127 119.914 -0.036 0.000 2.283 42 V HA -0.214 3.906 4.120 -0.001 0.000 0.243 42 V C 2.084 178.158 176.094 -0.033 0.000 1.039 42 V CA 1.201 63.484 62.300 -0.028 0.000 1.016 42 V CB -0.190 31.620 31.823 -0.023 0.000 0.650 42 V HN 0.202 nan 8.190 nan 0.000 0.449 43 L N 0.596 121.791 121.223 -0.046 0.000 2.217 43 L HA -0.009 4.330 4.340 -0.001 0.000 0.211 43 L C 1.808 178.654 176.870 -0.040 0.000 1.107 43 L CA 1.481 56.293 54.840 -0.047 0.000 0.783 43 L CB -0.841 41.178 42.059 -0.067 0.000 0.919 43 L HN 0.372 nan 8.230 nan 0.000 0.442 44 N N -1.427 117.251 118.700 -0.038 0.000 2.336 44 N HA -0.024 4.716 4.740 -0.001 0.000 0.189 44 N C 0.451 175.946 175.510 -0.025 0.000 1.113 44 N CA 0.031 53.063 53.050 -0.031 0.000 0.858 44 N CB -0.129 38.339 38.487 -0.031 0.000 0.970 44 N HN 0.013 nan 8.380 nan 0.000 0.471 45 R N 0.512 120.998 120.500 -0.023 0.000 2.458 45 R HA 0.309 4.649 4.340 -0.001 0.000 0.303 45 R C 1.000 177.289 176.300 -0.018 0.000 1.013 45 R CA 0.689 56.778 56.100 -0.019 0.000 1.026 45 R CB -1.235 29.055 30.300 -0.017 0.000 0.948 45 R HN 0.529 nan 8.270 nan 0.000 0.417 46 G N 3.659 112.449 108.800 -0.017 0.000 2.171 46 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.238 46 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.238 46 G C -0.039 174.850 174.900 -0.017 0.000 1.039 46 G CA 0.389 45.479 45.100 -0.016 0.000 0.759 46 G HN 0.709 nan 8.290 nan 0.000 0.501 47 R N 0.250 120.740 120.500 -0.018 0.000 2.513 47 R HA 0.480 4.820 4.340 -0.001 0.000 0.301 47 R C -2.431 173.859 176.300 -0.016 0.000 0.968 47 R CA -1.793 54.296 56.100 -0.018 0.000 0.872 47 R CB 2.035 32.323 30.300 -0.021 0.000 1.177 47 R HN 0.101 nan 8.270 nan 0.000 0.444 48 P HA 0.076 nan 4.420 nan 0.000 0.274 48 P C -1.870 175.422 177.300 -0.014 0.000 1.260 48 P CA -1.116 61.976 63.100 -0.013 0.000 0.793 48 P CB 0.296 31.988 31.700 -0.012 0.000 1.048 49 P HA -0.200 nan 4.420 nan 0.000 0.216 49 P C 1.331 178.624 177.300 -0.012 0.000 1.150 49 P CA 2.034 65.128 63.100 -0.011 0.000 0.837 49 P CB -0.456 31.238 31.700 -0.010 0.000 0.786 50 E N 1.170 121.364 120.200 -0.011 0.000 2.002 50 E HA -0.146 4.204 4.350 -0.001 0.000 0.205 50 E C 1.702 178.293 176.600 -0.013 0.000 1.020 50 E CA 2.079 58.472 56.400 -0.011 0.000 0.856 50 E CB -1.794 nan 29.700 nan 0.000 0.788 50 E HN 0.432 nan 8.360 nan 0.000 0.477 51 K N 2.128 122.519 120.400 -0.015 0.000 2.206 51 K HA 0.394 4.713 4.320 -0.001 0.000 0.268 51 K C -0.152 176.436 176.600 -0.021 0.000 1.111 51 K CA -0.400 55.876 56.287 -0.018 0.000 0.955 51 K CB 0.098 nan 32.500 nan 0.000 1.406 51 K HN 0.441 nan 8.250 nan 0.000 0.427 52 Q N 1.552 121.339 119.800 -0.021 0.000 2.337 52 Q HA 0.528 4.867 4.340 -0.001 0.000 0.266 52 Q C -0.670 175.314 176.000 -0.027 0.000 1.023 52 Q CA -0.916 54.873 55.803 -0.023 0.000 0.829 52 Q CB 1.912 30.638 28.738 -0.020 0.000 1.306 52 Q HN 0.593 nan 8.270 nan 0.000 0.449 53 L N 1.322 122.524 121.223 -0.036 0.000 2.343 53 L HA 0.478 4.818 4.340 -0.001 0.000 0.275 53 L C 1.054 177.901 176.870 -0.039 0.000 1.056 53 L CA -0.428 54.385 54.840 -0.046 0.000 0.804 53 L CB 1.180 43.199 42.059 -0.067 0.000 1.203 53 L HN 0.734 nan 8.230 nan 0.000 0.440 54 T N -2.345 112.187 114.554 -0.037 0.000 2.893 54 T HA 0.268 4.618 4.350 -0.001 0.000 0.281 54 T C 0.677 175.369 174.700 -0.013 0.000 1.027 54 T CA -0.247 61.850 62.100 -0.004 0.000 0.953 54 T CB 0.487 69.361 68.868 0.010 0.000 1.434 54 T HN 0.370 nan 8.240 nan 0.000 0.597 55 F N 0.696 120.589 119.950 -0.094 0.000 2.293 55 F HA 0.292 4.819 4.527 -0.001 0.000 0.297 55 F C 2.604 178.351 175.800 -0.088 0.000 1.089 55 F CA 0.949 58.875 58.000 -0.122 0.000 1.377 55 F CB -0.784 38.133 39.000 -0.138 0.000 1.051 55 F HN 0.688 nan 8.300 nan 0.000 0.511 56 A N 0.007 122.812 122.820 -0.025 0.000 1.872 56 A HA -0.140 4.179 4.320 -0.001 0.000 0.214 56 A C 2.085 179.582 177.584 -0.144 0.000 1.187 56 A CA 1.616 53.608 52.037 -0.076 0.000 0.614 56 A CB -0.753 18.249 19.000 0.005 0.000 0.826 56 A HN 0.450 nan 8.150 nan 0.000 0.442 57 E N -0.582 119.549 120.200 -0.116 0.000 2.049 57 E HA -0.231 4.119 4.350 -0.001 0.000 0.198 57 E C 2.123 178.620 176.600 -0.172 0.000 1.007 57 E CA 1.502 57.835 56.400 -0.112 0.000 0.809 57 E CB -0.489 29.165 29.700 -0.077 0.000 0.749 57 E HN 0.656 nan 8.360 nan 0.000 0.450 58 C N 0.560 119.709 119.300 -0.253 0.000 2.413 58 C HA -0.173 4.287 4.460 -0.001 0.000 0.278 58 C C 2.626 177.359 174.990 -0.429 0.000 1.224 58 C CA 0.522 59.337 59.018 -0.338 0.000 1.732 58 C CB -0.970 26.497 27.740 -0.454 0.000 2.050 58 C HN 0.421 nan 8.230 nan 0.000 0.463 59 L N 1.649 122.470 121.223 -0.670 0.000 1.951 59 L HA -0.229 4.111 4.340 -0.001 0.000 0.222 59 L C 2.711 179.436 176.870 -0.240 0.000 1.078 59 L CA 2.534 57.058 54.840 -0.526 0.000 0.778 59 L CB -0.959 40.821 42.059 -0.464 0.000 0.893 59 L HN 0.243 nan 8.230 nan 0.000 0.436 60 K N -0.845 119.465 120.400 -0.149 0.000 2.089 60 K HA -0.236 4.083 4.320 -0.001 0.000 0.210 60 K C 2.344 178.929 176.600 -0.024 0.000 1.048 60 K CA 1.984 58.245 56.287 -0.042 0.000 0.926 60 K CB -0.532 31.962 32.500 -0.011 0.000 0.714 60 K HN 0.464 nan 8.250 nan 0.000 0.448 61 R N -0.622 119.841 120.500 -0.062 0.000 2.148 61 R HA 0.083 4.422 4.340 -0.001 0.000 0.227 61 R C 2.010 178.271 176.300 -0.065 0.000 1.103 61 R CA 1.324 57.394 56.100 -0.051 0.000 0.983 61 R CB -0.082 30.174 30.300 -0.074 0.000 0.874 61 R HN 0.296 nan 8.270 nan 0.000 0.451 62 L N -0.591 120.570 121.223 -0.102 0.000 2.693 62 L HA 0.145 4.485 4.340 -0.001 0.000 0.235 62 L C 0.197 177.005 176.870 -0.105 0.000 1.127 62 L CA -0.077 54.708 54.840 -0.091 0.000 0.914 62 L CB 0.810 42.815 42.059 -0.091 0.000 1.193 62 L HN -0.061 nan 8.230 nan 0.000 0.502 63 T N 0.905 115.371 114.554 -0.146 0.000 2.869 63 T HA 0.350 4.699 4.350 -0.001 0.000 0.295 63 T C -0.063 174.405 174.700 -0.386 0.000 0.987 63 T CA -0.027 61.939 62.100 -0.223 0.000 1.109 63 T CB 2.241 70.986 68.868 -0.205 0.000 0.932 63 T HN -0.236 nan 8.240 nan 0.000 0.518 64 V N 5.244 124.956 119.914 -0.335 0.000 2.448 64 V HA 0.325 4.445 4.120 -0.001 0.000 0.295 64 V C -0.231 175.679 176.094 -0.306 0.000 1.025 64 V CA -0.942 61.194 62.300 -0.274 0.000 0.859 64 V CB 1.230 33.004 31.823 -0.082 0.000 0.988 64 V HN 0.861 nan 8.190 nan 0.000 0.431 65 H N 2.524 121.620 119.070 0.044 0.000 2.467 65 H HA 0.420 4.976 4.556 -0.001 0.000 0.326 65 H C 0.446 175.806 175.328 0.055 0.000 1.094 65 H CA -0.429 55.648 56.048 0.048 0.000 1.253 65 H CB 1.831 31.615 29.762 0.036 0.000 1.439 65 H HN 0.741 nan 8.280 nan 0.000 0.479 66 T N -1.403 113.244 114.554 0.155 0.000 2.753 66 T HA 0.069 4.418 4.350 -0.001 0.000 0.309 66 T C 1.621 176.385 174.700 0.107 0.000 1.043 66 T CA -0.607 61.564 62.100 0.118 0.000 0.964 66 T CB 0.277 69.208 68.868 0.104 0.000 1.206 66 T HN 0.261 nan 8.240 nan 0.000 0.528 67 V N 1.587 121.551 119.914 0.084 0.000 2.591 67 V HA 0.007 4.127 4.120 -0.001 0.000 0.249 67 V C 1.294 177.416 176.094 0.047 0.000 1.053 67 V CA 1.805 64.143 62.300 0.063 0.000 1.068 67 V CB -0.842 31.014 31.823 0.055 0.000 0.689 67 V HN 0.986 nan 8.190 nan 0.000 0.462 68 D N -0.679 119.748 120.400 0.044 0.000 2.615 68 D HA 0.379 5.018 4.640 -0.001 0.000 0.236 68 D C 1.391 177.716 176.300 0.041 0.000 1.233 68 D CA 0.528 54.544 54.000 0.026 0.000 0.829 68 D CB 0.241 41.041 40.800 0.001 0.000 1.024 68 D HN 0.273 nan 8.370 nan 0.000 0.490 69 G N 0.479 109.317 108.800 0.063 0.000 2.267 69 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.257 69 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.257 69 G C 0.302 175.266 174.900 0.106 0.000 0.998 69 G CA -0.057 45.090 45.100 0.078 0.000 0.620 69 G HN 0.430 nan 8.290 nan 0.000 0.529 70 I N 2.109 122.739 120.570 0.100 0.000 2.828 70 I HA 0.069 4.239 4.170 -0.001 0.000 0.292 70 I C -0.227 175.969 176.117 0.132 0.000 1.206 70 I CA 0.531 61.898 61.300 0.111 0.000 1.420 70 I CB 0.119 38.180 38.000 0.102 0.000 1.368 70 I HN 0.068 nan 8.210 nan 0.000 0.556 71 D N 7.524 128.007 120.400 0.138 0.000 2.198 71 D HA 0.505 5.144 4.640 -0.001 0.000 0.245 71 D C -0.111 176.251 176.300 0.103 0.000 1.079 71 D CA -0.082 53.988 54.000 0.115 0.000 0.854 71 D CB 1.716 42.604 40.800 0.146 0.000 1.148 71 D HN 0.274 nan 8.370 nan 0.000 0.456 72 I N 2.783 123.382 120.570 0.048 0.000 2.420 72 I HA 0.158 4.328 4.170 -0.001 0.000 0.282 72 I C -0.034 176.094 176.117 0.017 0.000 1.019 72 I CA -0.925 60.440 61.300 0.107 0.000 1.130 72 I CB 1.438 39.511 38.000 0.122 0.000 1.262 72 I HN 0.070 nan 8.210 nan 0.000 0.454 73 V N 4.797 124.731 119.914 0.032 0.000 2.953 73 V HA 0.360 4.480 4.120 -0.001 0.000 0.304 73 V C -1.622 174.440 176.094 -0.054 0.000 1.073 73 V CA -1.156 61.098 62.300 -0.076 0.000 1.064 73 V CB 0.305 32.007 31.823 -0.202 0.000 1.047 73 V HN 0.522 nan 8.190 nan 0.000 0.478 74 P HA 0.044 nan 4.420 nan 0.000 0.219 74 P C 0.229 177.529 177.300 -0.000 0.000 1.150 74 P CA 1.184 64.295 63.100 0.019 0.000 0.814 74 P CB 0.260 32.038 31.700 0.129 0.000 0.787 75 M N -0.731 118.830 119.600 -0.064 0.000 2.197 75 M HA 0.314 4.794 4.480 -0.001 0.000 0.301 75 M C -1.328 174.821 176.300 -0.252 0.000 0.987 75 M CA -0.780 54.402 55.300 -0.196 0.000 0.921 75 M CB 1.918 34.168 32.600 -0.583 0.000 1.569 75 M HN -0.246 nan 8.290 nan 0.000 0.431 76 Y N 2.578 122.815 120.300 -0.104 0.000 2.376 76 Y HA 0.588 5.138 4.550 -0.001 0.000 0.325 76 Y C 0.203 176.022 175.900 -0.134 0.000 1.199 76 Y CA -0.343 57.735 58.100 -0.037 0.000 1.206 76 Y CB 1.303 39.818 38.460 0.091 0.000 1.229 76 Y HN 0.508 nan 8.280 nan 0.000 0.480 77 R N 2.022 122.402 120.500 -0.200 0.000 2.892 77 R HA 0.322 4.661 4.340 -0.001 0.000 0.265 77 R C -1.956 173.862 176.300 -0.803 0.000 1.025 77 R CA -2.019 53.751 56.100 -0.551 0.000 0.982 77 R CB 1.123 31.222 30.300 -0.335 0.000 1.185 77 R HN 0.318 nan 8.270 nan 0.000 0.484 78 P HA -0.239 nan 4.420 nan 0.000 0.217 78 P C 0.120 177.293 177.300 -0.212 0.000 1.148 78 P CA 1.667 64.409 63.100 -0.597 0.000 0.834 78 P CB 0.071 31.574 31.700 -0.328 0.000 0.783 79 K N -1.224 119.084 120.400 -0.154 0.000 2.589 79 K HA -0.005 4.315 4.320 -0.001 0.000 0.192 79 K C 1.010 177.603 176.600 -0.011 0.000 1.029 79 K CA 0.782 57.031 56.287 -0.063 0.000 1.031 79 K CB -0.493 31.970 32.500 -0.061 0.000 0.821 79 K HN 0.115 nan 8.250 nan 0.000 0.502 80 D N 1.077 121.492 120.400 0.025 0.000 2.301 80 D HA 0.063 4.703 4.640 -0.001 0.000 0.206 80 D C 0.448 176.819 176.300 0.117 0.000 0.979 80 D CA 0.370 54.445 54.000 0.125 0.000 0.874 80 D CB 0.322 41.286 40.800 0.274 0.000 0.968 80 D HN 0.358 nan 8.370 nan 0.000 0.510 81 A N 1.848 124.735 122.820 0.113 0.000 2.279 81 A HA 0.531 4.851 4.320 -0.001 0.000 0.303 81 A C -2.145 175.470 177.584 0.051 0.000 1.108 81 A CA -1.086 51.008 52.037 0.094 0.000 0.830 81 A CB 0.278 19.370 19.000 0.154 0.000 1.106 81 A HN -0.121 nan 8.150 nan 0.000 0.493 82 P HA 0.106 nan 4.420 nan 0.000 0.272 82 P C 0.277 177.584 177.300 0.010 0.000 1.248 82 P CA -0.120 62.987 63.100 0.012 0.000 0.799 82 P CB 0.579 32.277 31.700 -0.004 0.000 0.997 83 K N 0.583 120.985 120.400 0.003 0.000 2.020 83 K HA 0.050 4.370 4.320 -0.001 0.000 0.206 83 K C 0.540 177.138 176.600 -0.004 0.000 1.038 83 K CA 1.533 57.822 56.287 0.002 0.000 0.947 83 K CB -0.138 32.363 32.500 0.002 0.000 0.744 83 K HN 0.255 nan 8.250 nan 0.000 0.442 84 K N 1.440 121.836 120.400 -0.007 0.000 2.172 84 K HA 0.177 4.497 4.320 -0.001 0.000 0.276 84 K C 0.820 177.393 176.600 -0.045 0.000 1.013 84 K CA -0.178 56.099 56.287 -0.017 0.000 0.913 84 K CB 1.133 33.635 32.500 0.004 0.000 1.055 84 K HN 0.113 nan 8.250 nan 0.000 0.461 85 L N 1.427 122.595 121.223 -0.092 0.000 2.209 85 L HA 0.071 4.411 4.340 -0.001 0.000 0.207 85 L C 1.057 177.841 176.870 -0.142 0.000 1.094 85 L CA 0.451 55.223 54.840 -0.114 0.000 0.790 85 L CB -0.496 41.479 42.059 -0.140 0.000 0.932 85 L HN 0.994 nan 8.230 nan 0.000 0.447 86 G N -0.927 107.749 108.800 -0.207 0.000 2.662 86 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.686 86 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.686 86 G C -1.304 173.417 174.900 -0.298 0.000 1.271 86 G CA -0.882 44.134 45.100 -0.140 0.000 0.816 86 G HN -0.025 nan 8.290 nan 0.000 0.608 87 Y N 0.550 120.804 120.300 -0.078 0.000 2.468 87 Y HA 0.646 5.196 4.550 -0.001 0.000 0.342 87 Y C -1.580 174.254 175.900 -0.111 0.000 1.021 87 Y CA -1.840 56.213 58.100 -0.079 0.000 1.079 87 Y CB 2.253 40.666 38.460 -0.078 0.000 1.226 87 Y HN 0.536 nan 8.280 nan 0.000 0.460 88 P HA 0.213 nan 4.420 nan 0.000 0.274 88 P C 0.656 177.932 177.300 -0.040 0.000 1.231 88 P CA 0.609 63.707 63.100 -0.003 0.000 0.790 88 P CB 1.089 32.800 31.700 0.019 0.000 0.951 89 G N 0.125 108.872 108.800 -0.090 0.000 2.195 89 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.246 89 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.246 89 G C -0.102 174.544 174.900 -0.422 0.000 0.984 89 G CA 0.220 45.264 45.100 -0.094 0.000 0.633 89 G HN 0.744 nan 8.290 nan 0.000 0.525 90 V N -2.558 116.911 119.914 -0.742 0.000 3.078 90 V HA 0.949 5.069 4.120 -0.001 0.000 0.311 90 V C 0.648 176.191 176.094 -0.918 0.000 1.138 90 V CA -0.870 60.989 62.300 -0.734 0.000 1.007 90 V CB 1.166 32.818 31.823 -0.284 0.000 1.045 90 V HN 1.843 nan 8.190 nan 0.000 0.432 91 A N 2.333 124.851 122.820 -0.503 0.000 2.561 91 A HA 0.450 4.770 4.320 -0.001 0.000 0.234 91 A C -0.779 176.732 177.584 -0.120 0.000 1.055 91 A CA 0.023 51.964 52.037 -0.160 0.000 0.756 91 A CB -0.525 18.488 19.000 0.022 0.000 0.986 91 A HN 0.899 nan 8.150 nan 0.000 0.505 92 P HA -0.003 nan 4.420 nan 0.000 0.217 92 P C 0.257 177.671 177.300 0.190 0.000 1.151 92 P CA 1.126 64.259 63.100 0.055 0.000 0.828 92 P CB -0.044 31.685 31.700 0.049 0.000 0.788 93 F N -3.940 116.037 119.950 0.045 0.000 1.675 93 F HA -0.158 4.368 4.527 -0.001 0.000 0.273 93 F C 1.229 177.043 175.800 0.023 0.000 0.591 93 F CA 0.730 58.760 58.000 0.049 0.000 2.318 93 F CB -2.559 36.490 39.000 0.081 0.000 3.015 93 F HN -0.185 nan 8.300 nan 0.000 0.243 94 T N -1.196 113.438 114.554 0.134 0.000 2.942 94 T HA -0.067 4.282 4.350 -0.001 0.000 0.265 94 T C 1.844 176.561 174.700 0.030 0.000 1.062 94 T CA 1.417 63.557 62.100 0.067 0.000 1.139 94 T CB -0.071 68.814 68.868 0.029 0.000 0.883 94 T HN 0.329 nan 8.240 nan 0.000 0.468 95 R N 0.768 121.276 120.500 0.013 0.000 2.275 95 R HA 0.355 4.694 4.340 -0.001 0.000 0.199 95 R C 1.051 177.355 176.300 0.007 0.000 0.989 95 R CA 0.244 56.335 56.100 -0.015 0.000 1.016 95 R CB 0.294 30.566 30.300 -0.046 0.000 0.918 95 R HN 0.433 nan 8.270 nan 0.000 0.473 96 G N -1.646 107.194 108.800 0.066 0.000 2.336 96 G HA2 -0.019 3.941 3.960 -0.001 0.000 0.300 96 G HA3 -0.019 3.941 3.960 -0.001 0.000 0.300 96 G C -0.166 174.885 174.900 0.253 0.000 1.375 96 G CA -0.623 44.531 45.100 0.089 0.000 0.885 96 G HN -0.093 nan 8.290 nan 0.000 0.599 97 T N -0.213 114.482 114.554 0.235 0.000 2.987 97 T HA 0.295 4.644 4.350 -0.001 0.000 0.248 97 T C 0.665 175.507 174.700 0.236 0.000 0.997 97 T CA 1.338 63.643 62.100 0.343 0.000 1.013 97 T CB 0.346 69.273 68.868 0.098 0.000 1.077 97 T HN 0.635 nan 8.240 nan 0.000 0.483 98 T N 2.752 117.374 114.554 0.113 0.000 2.815 98 T HA 0.495 4.845 4.350 -0.001 0.000 0.289 98 T C -0.302 174.427 174.700 0.048 0.000 1.000 98 T CA -0.419 61.725 62.100 0.074 0.000 0.958 98 T CB 1.886 70.774 68.868 0.033 0.000 0.944 98 T HN -0.091 nan 8.240 nan 0.000 0.442 99 V N 5.143 125.089 119.914 0.054 0.000 2.450 99 V HA 0.113 4.232 4.120 -0.001 0.000 0.281 99 V C 0.991 177.101 176.094 0.027 0.000 1.019 99 V CA -0.017 62.305 62.300 0.037 0.000 1.062 99 V CB -0.387 31.459 31.823 0.039 0.000 0.979 99 V HN 0.674 nan 8.190 nan 0.000 0.477 100 R N 4.313 124.824 120.500 0.017 0.000 2.389 100 R HA 0.134 4.473 4.340 -0.001 0.000 0.295 100 R C 1.135 177.449 176.300 0.023 0.000 1.075 100 R CA -0.251 55.859 56.100 0.016 0.000 1.005 100 R CB 0.433 30.736 30.300 0.006 0.000 0.987 100 R HN 0.859 nan 8.270 nan 0.000 0.452 101 N N 2.319 121.036 118.700 0.028 0.000 2.398 101 N HA -0.004 4.735 4.740 -0.001 0.000 0.188 101 N C 0.882 176.409 175.510 0.028 0.000 1.122 101 N CA 0.710 53.776 53.050 0.028 0.000 0.866 101 N CB 0.641 39.145 38.487 0.028 0.000 0.970 101 N HN 0.824 nan 8.380 nan 0.000 0.462 102 G N -0.512 108.306 108.800 0.031 0.000 2.175 102 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.244 102 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.244 102 G C -0.560 174.362 174.900 0.036 0.000 0.982 102 G CA 0.165 45.284 45.100 0.032 0.000 0.641 102 G HN 0.452 nan 8.290 nan 0.000 0.527 103 D N -0.216 120.208 120.400 0.041 0.000 2.411 103 D HA 0.505 5.145 4.640 -0.001 0.000 0.251 103 D C 1.901 178.236 176.300 0.058 0.000 1.201 103 D CA 0.138 54.163 54.000 0.042 0.000 0.996 103 D CB 0.493 41.318 40.800 0.041 0.000 1.101 103 D HN 0.297 nan 8.370 nan 0.000 0.504 104 M N -0.390 119.241 119.600 0.052 0.000 2.371 104 M HA 0.073 4.553 4.480 -0.001 0.000 0.246 104 M C 0.202 176.541 176.300 0.066 0.000 1.103 104 M CA 0.470 55.804 55.300 0.057 0.000 1.010 104 M CB 0.012 32.624 32.600 0.020 0.000 1.457 104 M HN 0.180 nan 8.290 nan 0.000 0.486 105 D N 1.847 122.286 120.400 0.065 0.000 2.271 105 D HA 0.110 4.749 4.640 -0.001 0.000 0.206 105 D C 0.735 177.100 176.300 0.109 0.000 0.967 105 D CA 0.437 54.478 54.000 0.068 0.000 0.867 105 D CB 0.105 40.933 40.800 0.047 0.000 0.960 105 D HN 0.373 nan 8.370 nan 0.000 0.509 106 A N 0.784 123.673 122.820 0.115 0.000 2.527 106 A HA 0.380 4.700 4.320 -0.001 0.000 0.313 106 A C -1.092 176.607 177.584 0.191 0.000 1.410 106 A CA -0.557 51.551 52.037 0.118 0.000 1.060 106 A CB -0.548 18.494 19.000 0.070 0.000 1.137 106 A HN 0.448 nan 8.150 nan 0.000 0.542 107 W N 3.928 125.222 121.300 -0.009 0.000 2.861 107 W HA 0.174 4.834 4.660 -0.001 0.000 0.302 107 W C -1.816 174.696 176.519 -0.012 0.000 1.068 107 W CA -1.071 56.265 57.345 -0.015 0.000 1.161 107 W CB 0.799 30.249 29.460 -0.015 0.000 0.981 107 W HN 0.652 nan 8.180 nan 0.000 0.322 108 D N 3.643 124.093 120.400 0.083 0.000 2.346 108 D HA 0.218 4.858 4.640 -0.001 0.000 0.260 108 D C -0.348 176.069 176.300 0.195 0.000 1.252 108 D CA 0.454 54.517 54.000 0.106 0.000 0.895 108 D CB 1.168 41.976 40.800 0.014 0.000 1.097 108 D HN 0.003 nan 8.370 nan 0.000 0.489 109 V N 6.144 126.220 119.914 0.269 0.000 2.372 109 V HA 0.194 4.313 4.120 -0.001 0.000 0.261 109 V C 0.815 176.981 176.094 0.120 0.000 1.055 109 V CA -0.383 62.058 62.300 0.234 0.000 0.930 109 V CB 0.573 32.501 31.823 0.175 0.000 1.031 109 V HN 0.391 nan 8.190 nan 0.000 0.479 110 R N 4.656 125.208 120.500 0.088 0.000 2.346 110 R HA 0.599 4.938 4.340 -0.001 0.000 0.309 110 R C 0.304 176.632 176.300 0.047 0.000 1.119 110 R CA -0.301 55.832 56.100 0.055 0.000 1.112 110 R CB 0.588 30.898 30.300 0.016 0.000 1.132 110 R HN 0.802 nan 8.270 nan 0.000 0.538 111 A N 3.623 126.479 122.820 0.060 0.000 2.498 111 A HA 0.126 4.446 4.320 -0.001 0.000 0.239 111 A C -0.580 177.002 177.584 -0.003 0.000 1.068 111 A CA -0.296 51.749 52.037 0.014 0.000 0.766 111 A CB 0.306 19.325 19.000 0.033 0.000 1.003 111 A HN 0.638 nan 8.150 nan 0.000 0.497 112 L N 3.271 124.441 121.223 -0.088 0.000 2.265 112 L HA 0.400 4.739 4.340 -0.001 0.000 0.289 112 L C -0.653 176.080 176.870 -0.229 0.000 1.033 112 L CA 0.208 55.027 54.840 -0.036 0.000 0.814 112 L CB 0.490 42.569 42.059 0.034 0.000 1.203 112 L HN 0.662 nan 8.230 nan 0.000 0.423 113 H N 5.083 124.233 119.070 0.133 0.000 2.786 113 H HA 0.324 4.879 4.556 -0.001 0.000 0.284 113 H C -0.207 175.190 175.328 0.115 0.000 1.104 113 H CA -0.110 56.004 56.048 0.110 0.000 1.339 113 H CB 1.218 31.024 29.762 0.074 0.000 1.427 113 H HN 0.761 nan 8.280 nan 0.000 0.497 114 E N 0.984 121.304 120.200 0.199 0.000 2.413 114 E HA -0.027 4.323 4.350 -0.001 0.000 0.203 114 E C 0.067 176.762 176.600 0.157 0.000 0.957 114 E CA -0.180 56.315 56.400 0.159 0.000 0.950 114 E CB 0.839 30.650 29.700 0.184 0.000 0.957 114 E HN 0.418 nan 8.360 nan 0.000 0.497 115 D N 1.768 122.284 120.400 0.193 0.000 2.533 115 D HA -0.058 4.581 4.640 -0.001 0.000 0.236 115 D C -1.474 174.904 176.300 0.129 0.000 1.137 115 D CA -1.338 52.764 54.000 0.170 0.000 0.867 115 D CB 1.154 42.107 40.800 0.254 0.000 1.170 115 D HN -0.048 nan 8.370 nan 0.000 0.474 116 P HA -0.077 nan 4.420 nan 0.000 0.220 116 P C 0.233 177.556 177.300 0.038 0.000 1.152 116 P CA 0.254 63.392 63.100 0.064 0.000 0.812 116 P CB 0.128 31.857 31.700 0.048 0.000 0.792 117 D N 1.216 121.643 120.400 0.044 0.000 2.488 117 D HA -0.090 4.549 4.640 -0.001 0.000 0.238 117 D C 1.326 177.647 176.300 0.035 0.000 1.138 117 D CA 0.292 54.310 54.000 0.029 0.000 0.873 117 D CB 0.656 41.497 40.800 0.069 0.000 1.183 117 D HN 0.217 nan 8.370 nan 0.000 0.458 118 E N 2.051 122.224 120.200 -0.044 0.000 2.447 118 E HA -0.029 4.320 4.350 -0.001 0.000 0.195 118 E C 1.069 177.654 176.600 -0.026 0.000 1.028 118 E CA 0.339 56.705 56.400 -0.056 0.000 0.876 118 E CB -0.262 29.336 29.700 -0.171 0.000 0.885 118 E HN 0.416 nan 8.360 nan 0.000 0.500 119 K N 0.636 121.040 120.400 0.008 0.000 2.358 119 K HA 0.198 4.518 4.320 -0.001 0.000 0.200 119 K C 1.096 177.738 176.600 0.070 0.000 1.030 119 K CA 0.010 56.307 56.287 0.017 0.000 1.097 119 K CB -0.449 32.059 32.500 0.013 0.000 0.862 119 K HN 0.131 nan 8.250 nan 0.000 0.534 120 F N 0.590 120.525 119.950 -0.024 0.000 2.315 120 F HA 0.072 4.599 4.527 -0.001 0.000 0.284 120 F C 2.284 178.086 175.800 0.003 0.000 1.049 120 F CA 1.635 59.632 58.000 -0.005 0.000 1.323 120 F CB 0.295 39.296 39.000 0.001 0.000 1.113 120 F HN 0.106 nan 8.300 nan 0.000 0.544 121 T N 1.285 115.853 114.554 0.024 0.000 2.595 121 T HA -0.221 4.128 4.350 -0.001 0.000 0.264 121 T C 2.148 176.724 174.700 -0.205 0.000 1.058 121 T CA 1.855 63.917 62.100 -0.064 0.000 1.166 121 T CB -0.457 68.428 68.868 0.029 0.000 0.863 121 T HN 0.141 nan 8.240 nan 0.000 0.415 122 R N 1.225 121.642 120.500 -0.139 0.000 2.113 122 R HA -0.207 4.133 4.340 -0.001 0.000 0.244 122 R C 2.784 178.980 176.300 -0.173 0.000 1.142 122 R CA 2.341 58.353 56.100 -0.146 0.000 0.953 122 R CB -0.422 29.827 30.300 -0.085 0.000 0.860 122 R HN 0.443 nan 8.270 nan 0.000 0.438 123 K N 0.128 120.420 120.400 -0.179 0.000 2.026 123 K HA -0.049 4.271 4.320 -0.001 0.000 0.208 123 K C 2.125 178.586 176.600 -0.233 0.000 1.048 123 K CA 1.634 57.811 56.287 -0.183 0.000 0.929 123 K CB -1.224 31.178 32.500 -0.164 0.000 0.713 123 K HN 0.499 nan 8.250 nan 0.000 0.439 124 A N 1.389 123.991 122.820 -0.364 0.000 1.859 124 A HA -0.170 4.149 4.320 -0.001 0.000 0.218 124 A C 2.404 179.891 177.584 -0.163 0.000 1.209 124 A CA 2.072 53.946 52.037 -0.271 0.000 0.639 124 A CB -0.653 18.174 19.000 -0.288 0.000 0.835 124 A HN 0.556 nan 8.150 nan 0.000 0.450 125 I N -1.157 119.170 120.570 -0.405 0.000 2.091 125 I HA -0.329 3.840 4.170 -0.001 0.000 0.240 125 I C 2.481 178.515 176.117 -0.137 0.000 1.046 125 I CA 1.861 62.941 61.300 -0.366 0.000 1.306 125 I CB -0.595 37.140 38.000 -0.442 0.000 1.018 125 I HN 0.362 nan 8.210 nan 0.000 0.404 126 L N 0.755 121.904 121.223 -0.123 0.000 2.013 126 L HA -0.261 4.079 4.340 -0.001 0.000 0.212 126 L C 2.533 179.374 176.870 -0.048 0.000 1.073 126 L CA 1.984 56.780 54.840 -0.074 0.000 0.753 126 L CB -0.828 41.188 42.059 -0.072 0.000 0.890 126 L HN 0.266 nan 8.230 nan 0.000 0.432 127 E N -1.383 118.785 120.200 -0.053 0.000 2.072 127 E HA -0.154 4.196 4.350 -0.001 0.000 0.191 127 E C 2.033 178.632 176.600 -0.001 0.000 0.985 127 E CA 0.867 57.251 56.400 -0.028 0.000 0.801 127 E CB -0.330 29.348 29.700 -0.038 0.000 0.750 127 E HN 0.587 nan 8.360 nan 0.000 0.452 128 G N 1.937 110.748 108.800 0.018 0.000 2.679 128 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.217 128 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.217 128 G C 1.552 176.472 174.900 0.033 0.000 1.267 128 G CA 1.069 46.201 45.100 0.053 0.000 0.799 128 G HN 0.244 nan 8.290 nan 0.000 0.606 129 L N 0.177 121.413 121.223 0.022 0.000 2.103 129 L HA -0.210 4.130 4.340 -0.001 0.000 0.215 129 L C 2.864 179.739 176.870 0.007 0.000 1.080 129 L CA 1.862 56.709 54.840 0.013 0.000 0.764 129 L CB -0.478 41.579 42.059 -0.003 0.000 0.890 129 L HN 0.379 nan 8.230 nan 0.000 0.435 130 E N -0.612 119.588 120.200 0.001 0.000 2.274 130 E HA -0.098 4.252 4.350 -0.001 0.000 0.194 130 E C 1.209 177.811 176.600 0.003 0.000 0.996 130 E CA 0.522 56.922 56.400 -0.000 0.000 0.840 130 E CB 0.259 29.956 29.700 -0.005 0.000 0.772 130 E HN 0.294 nan 8.360 nan 0.000 0.491 131 R N -1.203 119.301 120.500 0.006 0.000 2.816 131 R HA 0.203 4.543 4.340 -0.001 0.000 0.382 131 R C 0.022 176.323 176.300 0.002 0.000 1.140 131 R CA 0.384 56.487 56.100 0.005 0.000 1.050 131 R CB 1.149 31.454 30.300 0.009 0.000 1.396 131 R HN 0.220 nan 8.270 nan 0.000 0.583 132 G N -0.185 108.617 108.800 0.003 0.000 2.201 132 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.212 132 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.212 132 G C 0.089 175.000 174.900 0.018 0.000 0.994 132 G CA -0.334 44.765 45.100 -0.001 0.000 0.644 132 G HN 0.162 nan 8.290 nan 0.000 0.508 133 V N 2.693 122.627 119.914 0.032 0.000 2.470 133 V HA 0.424 4.543 4.120 -0.001 0.000 0.276 133 V C 1.768 177.896 176.094 0.056 0.000 1.040 133 V CA 1.179 63.511 62.300 0.054 0.000 1.008 133 V CB 1.160 33.025 31.823 0.071 0.000 0.990 133 V HN 0.635 nan 8.190 nan 0.000 0.477 134 T N -0.057 114.539 114.554 0.069 0.000 3.044 134 T HA 0.178 4.528 4.350 -0.001 0.000 0.250 134 T C 0.529 175.265 174.700 0.059 0.000 1.081 134 T CA 0.405 62.542 62.100 0.063 0.000 1.040 134 T CB 0.119 69.033 68.868 0.076 0.000 0.962 134 T HN 0.760 nan 8.240 nan 0.000 0.506 135 S N 0.649 116.387 115.700 0.064 0.000 2.547 135 S HA 0.704 5.174 4.470 -0.001 0.000 0.270 135 S C -1.381 173.262 174.600 0.071 0.000 1.150 135 S CA -1.260 56.974 58.200 0.057 0.000 0.850 135 S CB 1.349 64.574 63.200 0.041 0.000 1.118 135 S HN 0.302 nan 8.310 nan 0.000 0.461 136 L N 1.542 122.812 121.223 0.078 0.000 2.334 136 L HA 0.820 5.159 4.340 -0.001 0.000 0.273 136 L C -1.028 175.907 176.870 0.109 0.000 1.013 136 L CA -1.067 53.847 54.840 0.123 0.000 0.816 136 L CB 1.463 43.606 42.059 0.140 0.000 1.278 136 L HN 0.692 nan 8.230 nan 0.000 0.431 137 L N 3.244 124.551 121.223 0.141 0.000 2.343 137 L HA 0.668 5.007 4.340 -0.001 0.000 0.278 137 L C -1.528 175.497 176.870 0.258 0.000 0.996 137 L CA -0.154 54.766 54.840 0.133 0.000 0.831 137 L CB 1.368 43.445 42.059 0.030 0.000 1.232 137 L HN 0.432 nan 8.230 nan 0.000 0.413 138 L N 5.046 126.445 121.223 0.293 0.000 2.349 138 L HA 0.568 4.907 4.340 -0.001 0.000 0.278 138 L C -0.013 176.973 176.870 0.193 0.000 0.996 138 L CA -0.408 54.585 54.840 0.255 0.000 0.825 138 L CB 1.765 43.921 42.059 0.161 0.000 1.243 138 L HN 0.537 nan 8.230 nan 0.000 0.412 139 R N 2.289 122.798 120.500 0.015 0.000 2.210 139 R HA 0.486 4.826 4.340 -0.001 0.000 0.338 139 R C -1.053 175.102 176.300 -0.241 0.000 1.062 139 R CA -0.342 55.474 56.100 -0.473 0.000 0.902 139 R CB 0.657 30.595 30.300 -0.604 0.000 1.050 139 R HN 0.462 nan 8.270 nan 0.000 0.461 140 V N 5.407 125.177 119.914 -0.240 0.000 2.247 140 V HA 0.247 4.366 4.120 -0.001 0.000 0.262 140 V C -0.112 175.904 176.094 -0.130 0.000 1.096 140 V CA -0.256 61.971 62.300 -0.121 0.000 0.895 140 V CB 0.611 32.389 31.823 -0.075 0.000 1.141 140 V HN 0.767 nan 8.190 nan 0.000 0.478 141 D N 4.689 125.027 120.400 -0.103 0.000 2.732 141 D HA 0.461 5.100 4.640 -0.001 0.000 0.292 141 D C -1.831 174.432 176.300 -0.062 0.000 1.135 141 D CA -1.274 52.693 54.000 -0.055 0.000 1.071 141 D CB 3.011 43.793 40.800 -0.029 0.000 1.457 141 D HN 0.092 nan 8.370 nan 0.000 0.547 142 P HA -0.049 nan 4.420 nan 0.000 0.217 142 P C 0.650 177.872 177.300 -0.130 0.000 1.154 142 P CA 1.184 64.196 63.100 -0.147 0.000 0.841 142 P CB 0.203 31.748 31.700 -0.257 0.000 0.788 143 D N -0.510 119.794 120.400 -0.159 0.000 2.336 143 D HA 0.150 4.790 4.640 -0.001 0.000 0.229 143 D C 0.563 176.848 176.300 -0.025 0.000 1.061 143 D CA -0.038 53.904 54.000 -0.097 0.000 0.875 143 D CB 0.214 40.932 40.800 -0.137 0.000 0.904 143 D HN 0.088 nan 8.370 nan 0.000 0.525 144 A N 0.228 123.035 122.820 -0.022 0.000 2.548 144 A HA 0.537 4.857 4.320 -0.001 0.000 0.282 144 A C -0.309 177.284 177.584 0.016 0.000 1.288 144 A CA -0.927 51.112 52.037 0.003 0.000 0.748 144 A CB 0.315 19.280 19.000 -0.058 0.000 1.339 144 A HN 0.130 nan 8.150 nan 0.000 0.475 145 I N 1.415 122.005 120.570 0.033 0.000 3.022 145 I HA 0.113 4.282 4.170 -0.001 0.000 0.290 145 I C 1.020 177.161 176.117 0.041 0.000 1.212 145 I CA 0.248 61.582 61.300 0.057 0.000 1.377 145 I CB -0.798 37.238 38.000 0.061 0.000 1.417 145 I HN 0.598 nan 8.210 nan 0.000 0.540 146 A N 8.622 131.488 122.820 0.077 0.000 2.386 146 A HA 0.305 4.625 4.320 -0.001 0.000 0.248 146 A C -1.055 176.523 177.584 -0.010 0.000 1.082 146 A CA -1.157 50.897 52.037 0.028 0.000 0.789 146 A CB -0.032 18.991 19.000 0.038 0.000 1.025 146 A HN 0.535 nan 8.150 nan 0.000 0.490 147 P HA -0.245 nan 4.420 nan 0.000 0.219 147 P C 0.761 178.015 177.300 -0.077 0.000 1.161 147 P CA 2.165 65.232 63.100 -0.056 0.000 0.909 147 P CB 0.081 31.748 31.700 -0.055 0.000 0.793 148 E N -2.653 117.449 120.200 -0.163 0.000 2.338 148 E HA -0.146 4.204 4.350 -0.001 0.000 0.197 148 E C 1.199 177.614 176.600 -0.308 0.000 1.007 148 E CA 0.878 57.125 56.400 -0.254 0.000 0.849 148 E CB -0.743 28.731 29.700 -0.376 0.000 0.774 148 E HN 0.580 nan 8.360 nan 0.000 0.506 149 H N -1.007 118.063 119.070 -0.001 0.000 2.520 149 H HA 0.166 4.721 4.556 -0.001 0.000 0.284 149 H C 1.156 176.483 175.328 -0.003 0.000 1.037 149 H CA -0.373 55.675 56.048 -0.001 0.000 1.168 149 H CB 0.498 30.261 29.762 0.002 0.000 1.497 149 H HN 0.011 nan 8.280 nan 0.000 0.547 150 L N 0.648 121.911 121.223 0.067 0.000 2.109 150 L HA -0.107 4.233 4.340 -0.001 0.000 0.207 150 L C 2.009 178.897 176.870 0.030 0.000 1.086 150 L CA 1.560 56.425 54.840 0.042 0.000 0.760 150 L CB -0.168 41.906 42.059 0.026 0.000 0.910 150 L HN 0.336 nan 8.230 nan 0.000 0.437 151 D N -0.842 119.574 120.400 0.027 0.000 2.097 151 D HA -0.230 4.410 4.640 -0.001 0.000 0.197 151 D C 1.915 178.224 176.300 0.015 0.000 0.984 151 D CA 1.080 55.089 54.000 0.015 0.000 0.826 151 D CB 0.351 41.160 40.800 0.015 0.000 0.973 151 D HN 0.336 nan 8.370 nan 0.000 0.460 152 E N 0.745 120.972 120.200 0.044 0.000 2.058 152 E HA -0.166 4.184 4.350 -0.001 0.000 0.194 152 E C 2.029 178.635 176.600 0.010 0.000 0.997 152 E CA 1.652 58.077 56.400 0.042 0.000 0.801 152 E CB -0.582 29.170 29.700 0.087 0.000 0.746 152 E HN 0.237 nan 8.360 nan 0.000 0.450 153 V N -0.976 118.944 119.914 0.010 0.000 3.630 153 V HA 0.180 4.299 4.120 -0.001 0.000 0.273 153 V C 1.525 177.590 176.094 -0.048 0.000 1.248 153 V CA 0.753 63.035 62.300 -0.029 0.000 1.170 153 V CB -0.355 31.449 31.823 -0.032 0.000 0.899 153 V HN 0.247 nan 8.190 nan 0.000 0.457 154 L N -0.331 120.869 121.223 -0.039 0.000 2.766 154 L HA 0.225 4.565 4.340 -0.001 0.000 0.242 154 L C 2.350 179.182 176.870 -0.064 0.000 1.136 154 L CA 0.578 55.386 54.840 -0.054 0.000 0.933 154 L CB 0.250 42.281 42.059 -0.048 0.000 1.241 154 L HN 0.307 nan 8.230 nan 0.000 0.522 155 S N 0.199 115.869 115.700 -0.051 0.000 2.353 155 S HA -0.207 4.263 4.470 -0.001 0.000 0.222 155 S C 1.318 175.888 174.600 -0.050 0.000 1.035 155 S CA 1.710 59.882 58.200 -0.048 0.000 1.025 155 S CB -0.263 62.918 63.200 -0.032 0.000 0.902 155 S HN 0.458 nan 8.310 nan 0.000 0.440 156 D N 1.298 121.668 120.400 -0.049 0.000 2.178 156 D HA 0.003 4.642 4.640 -0.001 0.000 0.202 156 D C 0.609 176.880 176.300 -0.048 0.000 0.974 156 D CA 0.414 54.386 54.000 -0.046 0.000 0.841 156 D CB -0.533 40.237 40.800 -0.050 0.000 0.953 156 D HN 0.206 nan 8.370 nan 0.000 0.478 157 V N 2.319 122.200 119.914 -0.056 0.000 2.599 157 V HA -0.050 4.069 4.120 -0.001 0.000 0.300 157 V C 0.668 176.728 176.094 -0.057 0.000 1.034 157 V CA 0.026 62.295 62.300 -0.051 0.000 1.115 157 V CB 0.520 32.310 31.823 -0.055 0.000 0.934 157 V HN 0.032 nan 8.190 nan 0.000 0.485 158 L N 6.304 127.503 121.223 -0.040 0.000 2.268 158 L HA 0.306 4.646 4.340 -0.001 0.000 0.289 158 L C 1.192 178.038 176.870 -0.039 0.000 1.064 158 L CA -0.357 54.460 54.840 -0.039 0.000 0.824 158 L CB 0.343 42.391 42.059 -0.018 0.000 1.202 158 L HN 0.582 nan 8.230 nan 0.000 0.433 159 L N 2.337 123.510 121.223 -0.084 0.000 2.129 159 L HA -0.216 4.124 4.340 -0.001 0.000 0.212 159 L C 2.724 179.609 176.870 0.025 0.000 1.087 159 L CA 1.301 56.085 54.840 -0.094 0.000 0.757 159 L CB -0.452 41.422 42.059 -0.309 0.000 0.896 159 L HN 0.819 nan 8.230 nan 0.000 0.434 160 E N 0.623 120.842 120.200 0.031 0.000 2.072 160 E HA -0.230 4.119 4.350 -0.001 0.000 0.191 160 E C 2.087 178.720 176.600 0.055 0.000 0.985 160 E CA 1.347 57.783 56.400 0.060 0.000 0.801 160 E CB -0.299 29.428 29.700 0.044 0.000 0.750 160 E HN 0.517 nan 8.360 nan 0.000 0.452 161 M N 0.949 120.571 119.600 0.037 0.000 2.200 161 M HA 0.027 4.507 4.480 -0.001 0.000 0.265 161 M C 0.508 176.833 176.300 0.041 0.000 1.066 161 M CA 1.007 56.328 55.300 0.035 0.000 1.127 161 M CB -0.166 32.448 32.600 0.022 0.000 1.379 161 M HN -0.061 nan 8.290 nan 0.000 0.420 162 T N 1.343 115.923 114.554 0.043 0.000 2.779 162 T HA 0.360 4.709 4.350 -0.001 0.000 0.280 162 T C -0.376 174.368 174.700 0.074 0.000 0.987 162 T CA -0.855 61.275 62.100 0.049 0.000 0.966 162 T CB 2.219 71.107 68.868 0.034 0.000 0.933 162 T HN -0.032 nan 8.240 nan 0.000 0.442 163 K N 3.181 123.618 120.400 0.062 0.000 2.316 163 K HA 0.399 4.719 4.320 -0.001 0.000 0.289 163 K C -0.929 175.704 176.600 0.055 0.000 1.070 163 K CA -0.402 55.918 56.287 0.056 0.000 0.928 163 K CB 0.022 32.535 32.500 0.021 0.000 1.039 163 K HN 0.394 nan 8.250 nan 0.000 0.480 164 V N 3.009 122.975 119.914 0.088 0.000 2.427 164 V HA 0.385 4.505 4.120 -0.001 0.000 0.286 164 V C -0.545 175.557 176.094 0.014 0.000 1.034 164 V CA -0.771 61.580 62.300 0.084 0.000 0.893 164 V CB 1.299 33.226 31.823 0.173 0.000 0.982 164 V HN 0.754 nan 8.190 nan 0.000 0.452 165 E N 3.870 124.082 120.200 0.021 0.000 2.246 165 E HA 0.633 4.983 4.350 -0.001 0.000 0.266 165 E C -0.890 175.747 176.600 0.062 0.000 0.880 165 E CA -0.550 55.843 56.400 -0.012 0.000 0.762 165 E CB 1.911 31.581 29.700 -0.050 0.000 1.180 165 E HN 0.961 nan 8.360 nan 0.000 0.416 166 V N 1.909 121.852 119.914 0.047 0.000 2.850 166 V HA 0.999 5.118 4.120 -0.001 0.000 0.315 166 V C -0.380 175.843 176.094 0.215 0.000 1.064 166 V CA -0.700 61.668 62.300 0.114 0.000 0.979 166 V CB 1.067 32.895 31.823 0.009 0.000 1.039 166 V HN 0.968 nan 8.190 nan 0.000 0.452 167 F N -0.193 119.713 119.950 -0.072 0.000 2.713 167 F HA 0.904 5.431 4.527 -0.001 0.000 0.311 167 F C -0.734 175.030 175.800 -0.059 0.000 1.141 167 F CA -1.186 56.764 58.000 -0.083 0.000 0.939 167 F CB 1.201 40.159 39.000 -0.070 0.000 1.325 167 F HN 0.748 nan 8.300 nan 0.000 0.453 168 S N -0.132 115.548 115.700 -0.032 0.000 2.543 168 S HA 0.510 4.980 4.470 -0.001 0.000 0.273 168 S C -0.198 174.369 174.600 -0.055 0.000 1.152 168 S CA -0.835 57.287 58.200 -0.130 0.000 0.910 168 S CB 1.633 64.781 63.200 -0.086 0.000 1.105 168 S HN 0.832 nan 8.310 nan 0.000 0.465 169 R N 1.864 122.287 120.500 -0.129 0.000 2.237 169 R HA 0.183 4.523 4.340 -0.001 0.000 0.195 169 R C 0.670 176.773 176.300 -0.329 0.000 0.956 169 R CA 0.565 56.506 56.100 -0.265 0.000 1.029 169 R CB 0.092 30.095 30.300 -0.496 0.000 0.972 169 R HN 0.604 nan 8.270 nan 0.000 0.493 170 Y N 0.429 120.710 120.300 -0.032 0.000 2.284 170 Y HA 0.135 4.684 4.550 -0.001 0.000 0.293 170 Y C 0.583 176.586 175.900 0.171 0.000 1.140 170 Y CA 0.292 58.404 58.100 0.021 0.000 1.153 170 Y CB 0.511 38.937 38.460 -0.057 0.000 1.114 170 Y HN -0.134 nan 8.280 nan 0.000 0.521 171 D N -0.491 120.037 120.400 0.213 0.000 2.505 171 D HA 0.189 4.828 4.640 -0.001 0.000 0.250 171 D C -0.385 175.880 176.300 -0.059 0.000 1.164 171 D CA -0.164 53.881 54.000 0.075 0.000 0.870 171 D CB 1.536 42.370 40.800 0.055 0.000 1.160 171 D HN 0.171 nan 8.370 nan 0.000 0.549 172 Q N 1.706 121.376 119.800 -0.217 0.000 2.319 172 Q HA 0.209 4.548 4.340 -0.001 0.000 0.202 172 Q C 1.557 177.416 176.000 -0.234 0.000 0.896 172 Q CA 0.083 55.748 55.803 -0.231 0.000 0.942 172 Q CB 0.863 29.413 28.738 -0.314 0.000 1.083 172 Q HN 0.624 nan 8.270 nan 0.000 0.510 173 G N -0.192 108.516 108.800 -0.153 0.000 2.603 173 G HA2 -0.026 3.933 3.960 -0.001 0.000 0.214 173 G HA3 -0.026 3.933 3.960 -0.001 0.000 0.214 173 G C 1.197 176.126 174.900 0.049 0.000 1.140 173 G CA 0.643 45.749 45.100 0.010 0.000 0.800 173 G HN 0.334 nan 8.290 nan 0.000 0.533 174 A N 0.645 123.456 122.820 -0.015 0.000 2.081 174 A HA 0.619 4.938 4.320 -0.001 0.000 0.214 174 A C 2.583 180.140 177.584 -0.045 0.000 1.158 174 A CA 1.402 53.436 52.037 -0.004 0.000 0.724 174 A CB -0.279 18.714 19.000 -0.012 0.000 0.826 174 A HN 0.467 nan 8.150 nan 0.000 0.463 175 A N 0.366 123.128 122.820 -0.097 0.000 1.845 175 A HA 0.183 4.503 4.320 -0.001 0.000 0.215 175 A C 2.373 179.858 177.584 -0.164 0.000 1.195 175 A CA 1.868 53.835 52.037 -0.118 0.000 0.616 175 A CB -1.005 17.915 19.000 -0.134 0.000 0.832 175 A HN 1.050 nan 8.150 nan 0.000 0.443 176 A N -1.193 121.436 122.820 -0.318 0.000 2.209 176 A HA 0.084 4.404 4.320 -0.001 0.000 0.212 176 A C 1.780 179.192 177.584 -0.288 0.000 1.158 176 A CA 1.773 53.514 52.037 -0.492 0.000 0.742 176 A CB -0.262 18.049 19.000 -1.149 0.000 0.790 176 A HN 0.514 nan 8.150 nan 0.000 0.472 177 E N -0.716 119.487 120.200 0.005 0.000 2.389 177 E HA 0.314 4.664 4.350 -0.001 0.000 0.199 177 E C 1.669 178.334 176.600 0.109 0.000 0.978 177 E CA 0.926 57.467 56.400 0.235 0.000 0.912 177 E CB -0.092 29.789 29.700 0.301 0.000 0.907 177 E HN 0.372 nan 8.360 nan 0.000 0.494 178 A N 0.099 122.942 122.820 0.038 0.000 1.956 178 A HA 0.103 4.422 4.320 -0.001 0.000 0.212 178 A C 1.924 179.532 177.584 0.039 0.000 1.188 178 A CA 0.589 52.644 52.037 0.029 0.000 0.675 178 A CB -0.399 18.603 19.000 0.002 0.000 0.845 178 A HN 0.314 nan 8.150 nan 0.000 0.455 179 L N 0.760 121.987 121.223 0.007 0.000 2.072 179 L HA -0.094 4.246 4.340 -0.001 0.000 0.205 179 L C 2.565 179.485 176.870 0.083 0.000 1.079 179 L CA 2.270 57.129 54.840 0.033 0.000 0.752 179 L CB -0.476 41.554 42.059 -0.048 0.000 0.906 179 L HN 0.337 nan 8.230 nan 0.000 0.436 180 V N -3.857 116.079 119.914 0.037 0.000 2.332 180 V HA -0.237 3.883 4.120 -0.001 0.000 0.248 180 V C 2.392 178.607 176.094 0.202 0.000 1.055 180 V CA 1.889 64.251 62.300 0.105 0.000 1.038 180 V CB -1.521 30.414 31.823 0.187 0.000 0.651 180 V HN 0.428 nan 8.190 nan 0.000 0.450 181 S N 1.219 117.015 115.700 0.159 0.000 2.377 181 S HA -0.237 4.233 4.470 -0.001 0.000 0.224 181 S C 2.030 176.710 174.600 0.133 0.000 1.042 181 S CA 2.341 60.622 58.200 0.134 0.000 1.086 181 S CB -0.817 62.437 63.200 0.091 0.000 0.995 181 S HN 0.626 nan 8.310 nan 0.000 0.428 182 V N 0.268 120.248 119.914 0.110 0.000 2.250 182 V HA -0.285 3.834 4.120 -0.001 0.000 0.250 182 V C 1.956 178.086 176.094 0.060 0.000 1.060 182 V CA 2.175 64.510 62.300 0.058 0.000 1.030 182 V CB -1.297 30.531 31.823 0.008 0.000 0.643 182 V HN 0.427 nan 8.190 nan 0.000 0.445 183 Y N 0.594 120.921 120.300 0.044 0.000 2.145 183 Y HA -0.198 4.351 4.550 -0.001 0.000 0.286 183 Y C 2.731 178.825 175.900 0.322 0.000 1.145 183 Y CA 2.101 60.260 58.100 0.100 0.000 1.148 183 Y CB -0.335 38.008 38.460 -0.194 0.000 0.981 183 Y HN 0.267 nan 8.280 nan 0.000 0.507 184 E N -0.631 119.876 120.200 0.512 0.000 2.204 184 E HA -0.158 4.192 4.350 -0.001 0.000 0.194 184 E C 2.040 178.751 176.600 0.185 0.000 0.989 184 E CA 1.054 57.677 56.400 0.372 0.000 0.824 184 E CB 0.005 29.891 29.700 0.310 0.000 0.756 184 E HN 0.373 nan 8.360 nan 0.000 0.477 185 R N 0.924 121.510 120.500 0.142 0.000 2.515 185 R HA 0.180 4.520 4.340 -0.001 0.000 0.294 185 R C 0.637 176.968 176.300 0.052 0.000 1.021 185 R CA 0.448 56.596 56.100 0.079 0.000 1.081 185 R CB -0.463 29.875 30.300 0.063 0.000 1.263 185 R HN 0.176 nan 8.270 nan 0.000 0.557 186 S N -2.015 113.721 115.700 0.061 0.000 2.707 186 S HA 0.509 4.979 4.470 -0.001 0.000 0.276 186 S C 1.169 175.785 174.600 0.027 0.000 1.179 186 S CA 0.106 58.317 58.200 0.019 0.000 0.992 186 S CB 1.325 64.514 63.200 -0.018 0.000 1.030 186 S HN 0.476 nan 8.310 nan 0.000 0.554 187 D N 0.544 120.950 120.400 0.009 0.000 2.106 187 D HA 0.182 4.821 4.640 -0.001 0.000 0.203 187 D C 1.203 177.514 176.300 0.019 0.000 0.977 187 D CA 1.417 55.423 54.000 0.011 0.000 0.844 187 D CB -1.357 39.444 40.800 0.001 0.000 1.002 187 D HN 1.073 nan 8.370 nan 0.000 0.461 188 K N 1.172 121.583 120.400 0.019 0.000 2.402 188 K HA 0.398 4.718 4.320 -0.001 0.000 0.265 188 K C -1.972 174.657 176.600 0.049 0.000 0.978 188 K CA -0.387 55.919 56.287 0.031 0.000 0.913 188 K CB -1.270 31.247 32.500 0.030 0.000 0.954 188 K HN 0.374 nan 8.250 nan 0.000 0.511 189 P HA 0.082 nan 4.420 nan 0.000 0.269 189 P C 0.534 177.867 177.300 0.055 0.000 1.205 189 P CA 0.634 63.758 63.100 0.040 0.000 0.780 189 P CB 0.493 32.215 31.700 0.036 0.000 0.858 190 A N 1.509 124.325 122.820 -0.006 0.000 1.930 190 A HA -0.101 4.219 4.320 -0.001 0.000 0.215 190 A C 2.125 179.647 177.584 -0.104 0.000 1.176 190 A CA 1.361 53.334 52.037 -0.106 0.000 0.632 190 A CB -0.648 18.242 19.000 -0.183 0.000 0.819 190 A HN 0.407 nan 8.150 nan 0.000 0.445 191 K N -0.840 119.551 120.400 -0.015 0.000 2.356 191 K HA 0.106 4.426 4.320 -0.001 0.000 0.195 191 K C 1.687 178.359 176.600 0.120 0.000 1.037 191 K CA 1.301 57.612 56.287 0.040 0.000 1.014 191 K CB -0.728 31.783 32.500 0.019 0.000 0.815 191 K HN 0.758 nan 8.250 nan 0.000 0.507 192 D N 0.115 120.589 120.400 0.124 0.000 2.317 192 D HA 0.126 4.765 4.640 -0.001 0.000 0.211 192 D C 0.587 176.990 176.300 0.172 0.000 0.966 192 D CA 0.587 54.663 54.000 0.126 0.000 0.876 192 D CB -0.024 40.831 40.800 0.093 0.000 0.927 192 D HN 0.108 nan 8.370 nan 0.000 0.519 193 L N -0.394 120.997 121.223 0.280 0.000 2.352 193 L HA 0.794 5.133 4.340 -0.001 0.000 0.269 193 L C 0.286 177.316 176.870 0.265 0.000 1.034 193 L CA -1.945 53.092 54.840 0.328 0.000 0.806 193 L CB 1.273 43.626 42.059 0.490 0.000 1.244 193 L HN 0.229 nan 8.230 nan 0.000 0.447 194 A N 2.808 125.735 122.820 0.178 0.000 2.414 194 A HA 0.934 5.254 4.320 -0.001 0.000 0.306 194 A C -0.993 176.480 177.584 -0.184 0.000 1.054 194 A CA -0.423 51.599 52.037 -0.024 0.000 0.724 194 A CB 1.837 20.846 19.000 0.015 0.000 1.267 194 A HN 0.736 nan 8.150 nan 0.000 0.418 195 L N -0.945 120.034 121.223 -0.407 0.000 2.765 195 L HA 0.848 5.187 4.340 -0.001 0.000 0.263 195 L C -1.517 175.152 176.870 -0.335 0.000 1.068 195 L CA -1.091 53.461 54.840 -0.480 0.000 0.903 195 L CB 1.979 43.411 42.059 -1.044 0.000 1.512 195 L HN 0.427 nan 8.230 nan 0.000 0.404 196 N N 0.239 118.774 118.700 -0.275 0.000 2.295 196 N HA 0.618 5.357 4.740 -0.001 0.000 0.293 196 N C 0.023 175.393 175.510 -0.234 0.000 1.040 196 N CA -0.667 52.252 53.050 -0.219 0.000 0.840 196 N CB 2.619 41.010 38.487 -0.159 0.000 1.468 196 N HN 0.741 nan 8.380 nan 0.000 0.478 197 L N 0.664 121.729 121.223 -0.263 0.000 2.115 197 L HA 0.303 4.642 4.340 -0.001 0.000 0.200 197 L C 1.222 177.928 176.870 -0.273 0.000 1.094 197 L CA 0.961 55.608 54.840 -0.321 0.000 0.769 197 L CB -0.252 41.545 42.059 -0.436 0.000 0.931 197 L HN 0.824 nan 8.230 nan 0.000 0.455 198 G N -0.884 107.759 108.800 -0.263 0.000 2.173 198 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.142 198 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.142 198 G C 0.009 174.773 174.900 -0.227 0.000 1.019 198 G CA -0.686 44.299 45.100 -0.190 0.000 0.699 198 G HN -0.003 nan 8.290 nan 0.000 0.495 199 L N 1.254 122.283 121.223 -0.323 0.000 2.453 199 L HA 0.501 4.840 4.340 -0.001 0.000 0.272 199 L C 0.006 176.715 176.870 -0.268 0.000 1.182 199 L CA 1.076 55.715 54.840 -0.336 0.000 0.858 199 L CB 1.053 42.862 42.059 -0.416 0.000 1.120 199 L HN 0.273 nan 8.230 nan 0.000 0.474 200 D N 3.823 124.096 120.400 -0.212 0.000 3.117 200 D HA 0.161 4.801 4.640 -0.001 0.000 0.241 200 D C -1.850 174.479 176.300 0.048 0.000 1.385 200 D CA -0.765 53.198 54.000 -0.062 0.000 0.855 200 D CB 1.000 41.814 40.800 0.023 0.000 1.498 200 D HN 0.092 nan 8.370 nan 0.000 0.584 201 P HA -0.086 nan 4.420 nan 0.000 0.216 201 P C 1.817 179.281 177.300 0.272 0.000 1.150 201 P CA 0.757 63.932 63.100 0.125 0.000 0.843 201 P CB 0.589 32.307 31.700 0.030 0.000 0.787 202 I N -0.764 120.014 120.570 0.347 0.000 2.353 202 I HA -0.110 4.060 4.170 -0.001 0.000 0.248 202 I C 2.529 178.736 176.117 0.149 0.000 1.119 202 I CA 1.659 63.088 61.300 0.216 0.000 1.417 202 I CB -0.943 37.139 38.000 0.138 0.000 1.078 202 I HN -0.015 nan 8.210 nan 0.000 0.421 203 G N 0.266 109.161 108.800 0.158 0.000 2.403 203 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.216 203 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.216 203 G C 1.551 176.448 174.900 -0.005 0.000 1.154 203 G CA 0.237 45.360 45.100 0.037 0.000 0.784 203 G HN 0.318 nan 8.290 nan 0.000 0.538 204 F N 2.688 122.590 119.950 -0.079 0.000 2.046 204 F HA -0.030 4.496 4.527 -0.001 0.000 0.297 204 F C 2.731 178.458 175.800 -0.121 0.000 1.123 204 F CA 1.651 59.582 58.000 -0.115 0.000 1.199 204 F CB -0.575 38.378 39.000 -0.078 0.000 0.972 204 F HN 0.209 nan 8.300 nan 0.000 0.474 205 A N 0.291 122.977 122.820 -0.224 0.000 2.024 205 A HA -0.023 4.296 4.320 -0.001 0.000 0.220 205 A C 2.355 179.804 177.584 -0.225 0.000 1.164 205 A CA 1.771 53.645 52.037 -0.272 0.000 0.643 205 A CB -1.550 17.433 19.000 -0.029 0.000 0.806 205 A HN 0.594 nan 8.150 nan 0.000 0.451 206 A N -0.532 122.185 122.820 -0.171 0.000 1.929 206 A HA 0.121 4.440 4.320 -0.001 0.000 0.216 206 A C 2.115 179.549 177.584 -0.250 0.000 1.176 206 A CA 1.213 53.146 52.037 -0.173 0.000 0.628 206 A CB -0.430 18.490 19.000 -0.133 0.000 0.816 206 A HN 0.448 nan 8.150 nan 0.000 0.444 207 L N -0.722 120.302 121.223 -0.332 0.000 2.005 207 L HA -0.196 4.143 4.340 -0.001 0.000 0.207 207 L C 2.952 179.572 176.870 -0.415 0.000 1.072 207 L CA 1.234 55.822 54.840 -0.419 0.000 0.744 207 L CB -0.461 41.286 42.059 -0.520 0.000 0.895 207 L HN 0.348 nan 8.230 nan 0.000 0.433 208 Q N -0.458 119.062 119.800 -0.467 0.000 1.994 208 Q HA -0.045 4.295 4.340 -0.001 0.000 0.198 208 Q C 1.703 177.529 176.000 -0.289 0.000 0.976 208 Q CA 1.607 57.156 55.803 -0.423 0.000 0.828 208 Q CB -0.210 28.150 28.738 -0.630 0.000 0.894 208 Q HN 0.620 nan 8.270 nan 0.000 0.432 209 G N 0.452 109.096 108.800 -0.260 0.000 2.273 209 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.162 209 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.162 209 G C 0.551 175.371 174.900 -0.134 0.000 1.006 209 G CA 0.460 45.462 45.100 -0.164 0.000 0.704 209 G HN 0.504 nan 8.290 nan 0.000 0.487 210 T N -1.514 112.936 114.554 -0.173 0.000 3.332 210 T HA 0.564 4.913 4.350 -0.001 0.000 0.367 210 T C 0.306 174.971 174.700 -0.058 0.000 1.244 210 T CA 0.665 62.697 62.100 -0.113 0.000 0.977 210 T CB 1.345 70.126 68.868 -0.146 0.000 1.784 210 T HN 0.683 nan 8.240 nan 0.000 0.553 211 E N 1.060 121.255 120.200 -0.009 0.000 2.216 211 E HA 0.417 4.767 4.350 -0.001 0.000 0.260 211 E C -2.857 173.787 176.600 0.074 0.000 0.880 211 E CA -2.562 53.853 56.400 0.025 0.000 0.765 211 E CB 1.273 30.988 29.700 0.026 0.000 1.174 211 E HN 0.353 nan 8.360 nan 0.000 0.417 212 P HA -0.087 nan 4.420 nan 0.000 0.261 212 P C -0.939 176.437 177.300 0.127 0.000 1.165 212 P CA 0.518 63.702 63.100 0.141 0.000 0.759 212 P CB 0.410 32.196 31.700 0.143 0.000 0.772 213 D N 3.401 123.883 120.400 0.136 0.000 2.458 213 D HA 0.170 4.809 4.640 -0.001 0.000 0.258 213 D C -0.373 175.965 176.300 0.063 0.000 1.134 213 D CA -0.410 53.645 54.000 0.092 0.000 0.915 213 D CB 0.503 41.355 40.800 0.087 0.000 1.028 213 D HN 0.106 nan 8.370 nan 0.000 0.508 214 L N 3.018 124.286 121.223 0.075 0.000 3.001 214 L HA 0.139 4.478 4.340 -0.001 0.000 0.234 214 L C 1.764 178.667 176.870 0.054 0.000 1.321 214 L CA 0.352 55.230 54.840 0.064 0.000 1.138 214 L CB 0.200 42.342 42.059 0.138 0.000 1.503 214 L HN 0.297 nan 8.230 nan 0.000 0.487 215 T N -6.575 108.002 114.554 0.037 0.000 3.054 215 T HA 0.083 4.432 4.350 -0.001 0.000 0.255 215 T C 1.415 176.122 174.700 0.011 0.000 1.035 215 T CA 0.259 62.377 62.100 0.029 0.000 0.941 215 T CB 0.334 69.214 68.868 0.020 0.000 1.026 215 T HN 0.049 nan 8.240 nan 0.000 0.533 216 V N 1.320 121.244 119.914 0.016 0.000 3.052 216 V HA 0.191 4.311 4.120 -0.001 0.000 0.254 216 V C 2.086 178.242 176.094 0.103 0.000 1.100 216 V CA 0.623 62.937 62.300 0.022 0.000 1.112 216 V CB -0.522 31.349 31.823 0.082 0.000 0.738 216 V HN 0.473 nan 8.190 nan 0.000 0.469 217 L N 0.621 121.894 121.223 0.083 0.000 2.013 217 L HA -0.070 4.269 4.340 -0.001 0.000 0.212 217 L C 2.666 179.614 176.870 0.130 0.000 1.073 217 L CA 2.084 56.972 54.840 0.081 0.000 0.753 217 L CB -1.635 40.408 42.059 -0.026 0.000 0.890 217 L HN 0.404 nan 8.230 nan 0.000 0.432 218 G N 0.292 109.193 108.800 0.167 0.000 2.628 218 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.217 218 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.217 218 G C 1.128 176.202 174.900 0.290 0.000 1.240 218 G CA 1.342 46.649 45.100 0.345 0.000 0.792 218 G HN 0.364 nan 8.290 nan 0.000 0.593 219 D N 0.007 120.445 120.400 0.064 0.000 2.158 219 D HA -0.122 4.517 4.640 -0.001 0.000 0.197 219 D C 2.074 178.322 176.300 -0.087 0.000 0.995 219 D CA 0.803 54.756 54.000 -0.079 0.000 0.846 219 D CB -0.395 40.242 40.800 -0.272 0.000 0.941 219 D HN 0.679 nan 8.370 nan 0.000 0.456 220 W N 0.564 121.873 121.300 0.016 0.000 2.379 220 W HA -0.133 4.526 4.660 -0.001 0.000 0.307 220 W C 2.421 178.928 176.519 -0.021 0.000 1.200 220 W CA 0.284 57.615 57.345 -0.023 0.000 1.297 220 W CB -0.339 29.073 29.460 -0.079 0.000 1.140 220 W HN -0.188 nan 8.180 nan 0.000 0.507 221 V N 0.334 120.365 119.914 0.195 0.000 2.515 221 V HA -0.260 3.859 4.120 -0.001 0.000 0.250 221 V C 2.100 178.289 176.094 0.157 0.000 1.058 221 V CA 1.808 64.115 62.300 0.012 0.000 1.064 221 V CB -0.761 30.833 31.823 -0.381 0.000 0.675 221 V HN 0.180 nan 8.190 nan 0.000 0.461 222 R N -0.201 120.496 120.500 0.329 0.000 2.236 222 R HA -0.082 4.258 4.340 -0.001 0.000 0.208 222 R C 2.348 178.744 176.300 0.162 0.000 1.036 222 R CA 0.803 57.087 56.100 0.306 0.000 1.001 222 R CB 0.013 30.476 30.300 0.271 0.000 0.896 222 R HN 0.386 nan 8.270 nan 0.000 0.464 223 R N -0.084 120.506 120.500 0.151 0.000 2.112 223 R HA 0.052 4.391 4.340 -0.001 0.000 0.216 223 R C 0.968 177.404 176.300 0.226 0.000 1.080 223 R CA 0.984 57.173 56.100 0.148 0.000 0.996 223 R CB -0.052 30.348 30.300 0.166 0.000 0.902 223 R HN 0.173 nan 8.270 nan 0.000 0.449 224 L N 0.637 122.012 121.223 0.254 0.000 3.036 224 L HA 0.435 4.775 4.340 -0.001 0.000 0.237 224 L C -0.010 177.001 176.870 0.235 0.000 1.319 224 L CA 0.031 55.052 54.840 0.302 0.000 1.112 224 L CB 0.839 43.004 42.059 0.175 0.000 1.480 224 L HN 0.294 nan 8.230 nan 0.000 0.506 225 A N -0.664 122.263 122.820 0.179 0.000 2.589 225 A HA 0.183 4.503 4.320 -0.001 0.000 0.283 225 A C 1.514 179.146 177.584 0.081 0.000 1.187 225 A CA -0.232 51.885 52.037 0.134 0.000 0.957 225 A CB -0.078 19.008 19.000 0.142 0.000 1.175 225 A HN 0.513 nan 8.150 nan 0.000 0.532 226 K N -1.546 118.870 120.400 0.026 0.000 2.334 226 K HA 0.390 4.710 4.320 -0.001 0.000 0.195 226 K C 0.147 176.615 176.600 -0.219 0.000 1.045 226 K CA 0.070 56.279 56.287 -0.131 0.000 1.004 226 K CB -0.088 32.261 32.500 -0.252 0.000 0.837 226 K HN 0.229 nan 8.250 nan 0.000 0.510 227 F N 2.194 122.165 119.950 0.036 0.000 2.213 227 F HA 0.199 4.726 4.527 -0.001 0.000 0.297 227 F C 1.461 177.277 175.800 0.027 0.000 1.094 227 F CA -0.713 57.308 58.000 0.035 0.000 1.121 227 F CB 0.053 39.058 39.000 0.008 0.000 1.622 227 F HN 0.001 nan 8.300 nan 0.000 0.521 228 S N 1.871 117.729 115.700 0.264 0.000 2.586 228 S HA -0.025 4.444 4.470 -0.001 0.000 0.256 228 S C -1.556 173.108 174.600 0.106 0.000 1.392 228 S CA -0.638 57.647 58.200 0.143 0.000 0.983 228 S CB 0.211 63.482 63.200 0.118 0.000 0.897 228 S HN 0.414 nan 8.310 nan 0.000 0.566 229 P HA 0.086 nan 4.420 nan 0.000 0.224 229 P C 0.366 177.693 177.300 0.046 0.000 1.157 229 P CA 0.881 64.017 63.100 0.060 0.000 0.799 229 P CB -0.096 31.637 31.700 0.056 0.000 0.809 230 D N -0.415 120.009 120.400 0.039 0.000 2.348 230 D HA 0.012 4.651 4.640 -0.001 0.000 0.211 230 D C 0.310 176.605 176.300 -0.009 0.000 0.998 230 D CA 0.306 54.318 54.000 0.019 0.000 0.873 230 D CB -0.245 40.567 40.800 0.020 0.000 0.925 230 D HN 0.050 nan 8.370 nan 0.000 0.524 231 S N 2.136 117.831 115.700 -0.009 0.000 2.571 231 S HA 0.037 4.506 4.470 -0.001 0.000 0.297 231 S C 0.509 175.064 174.600 -0.076 0.000 1.234 231 S CA -0.081 58.079 58.200 -0.066 0.000 1.120 231 S CB 0.374 63.554 63.200 -0.033 0.000 0.923 231 S HN 0.104 nan 8.310 nan 0.000 0.504 232 R N 2.120 122.553 120.500 -0.112 0.000 2.368 232 R HA 0.539 4.878 4.340 -0.001 0.000 0.302 232 R C 0.744 176.951 176.300 -0.155 0.000 1.002 232 R CA -0.527 55.503 56.100 -0.116 0.000 0.929 232 R CB 1.082 31.312 30.300 -0.117 0.000 1.073 232 R HN 0.587 nan 8.270 nan 0.000 0.464 233 A N 2.618 125.349 122.820 -0.149 0.000 1.963 233 A HA 0.149 4.468 4.320 -0.001 0.000 0.207 233 A C 0.617 178.067 177.584 -0.224 0.000 1.243 233 A CA 0.290 52.220 52.037 -0.178 0.000 0.728 233 A CB 0.479 19.415 19.000 -0.106 0.000 0.895 233 A HN 0.348 nan 8.150 nan 0.000 0.467 234 V N 1.881 121.671 119.914 -0.206 0.000 2.465 234 V HA 0.427 4.546 4.120 -0.001 0.000 0.279 234 V C -0.407 175.541 176.094 -0.242 0.000 1.045 234 V CA 0.078 62.237 62.300 -0.234 0.000 0.938 234 V CB 1.227 32.925 31.823 -0.207 0.000 0.986 234 V HN 0.363 nan 8.190 nan 0.000 0.467 235 T N 5.937 120.346 114.554 -0.241 0.000 2.963 235 T HA 0.497 4.847 4.350 -0.001 0.000 0.328 235 T C -0.211 174.353 174.700 -0.227 0.000 1.048 235 T CA -0.206 61.746 62.100 -0.247 0.000 1.033 235 T CB 0.378 69.122 68.868 -0.207 0.000 1.010 235 T HN 0.384 nan 8.240 nan 0.000 0.469 236 I N 2.906 123.271 120.570 -0.341 0.000 2.406 236 I HA 0.091 4.261 4.170 -0.001 0.000 0.293 236 I C 0.510 176.543 176.117 -0.139 0.000 1.101 236 I CA -0.219 60.927 61.300 -0.257 0.000 1.334 236 I CB 0.230 37.916 38.000 -0.523 0.000 1.421 236 I HN 0.498 nan 8.210 nan 0.000 0.513 237 D N 6.293 126.670 120.400 -0.038 0.000 2.374 237 D HA 0.227 4.867 4.640 -0.001 0.000 0.240 237 D C 0.750 177.113 176.300 0.105 0.000 1.229 237 D CA 0.028 54.027 54.000 -0.000 0.000 0.895 237 D CB 1.577 42.376 40.800 -0.001 0.000 1.046 237 D HN 0.675 nan 8.370 nan 0.000 0.498 238 A N 4.139 127.048 122.820 0.148 0.000 2.132 238 A HA -0.087 4.233 4.320 -0.001 0.000 0.213 238 A C 1.914 179.655 177.584 0.262 0.000 1.154 238 A CA 0.226 52.438 52.037 0.292 0.000 0.753 238 A CB -0.273 18.863 19.000 0.227 0.000 0.826 238 A HN 0.706 nan 8.150 nan 0.000 0.469 239 N N 0.471 119.243 118.700 0.120 0.000 2.104 239 N HA -0.197 4.543 4.740 -0.001 0.000 0.190 239 N C 1.647 177.203 175.510 0.077 0.000 1.024 239 N CA 1.676 54.769 53.050 0.072 0.000 0.853 239 N CB -0.274 38.197 38.487 -0.027 0.000 1.008 239 N HN 0.510 nan 8.380 nan 0.000 0.424 240 I N 0.611 121.230 120.570 0.083 0.000 2.151 240 I HA -0.404 3.766 4.170 -0.001 0.000 0.236 240 I C 1.901 178.065 176.117 0.078 0.000 1.000 240 I CA 1.987 63.367 61.300 0.133 0.000 1.285 240 I CB -0.896 36.991 38.000 -0.188 0.000 0.994 240 I HN 0.255 nan 8.210 nan 0.000 0.396 241 Y N -0.610 119.847 120.300 0.261 0.000 2.207 241 Y HA -0.316 4.234 4.550 -0.001 0.000 0.287 241 Y C 2.667 178.692 175.900 0.208 0.000 1.156 241 Y CA 1.960 60.232 58.100 0.288 0.000 1.182 241 Y CB -1.236 37.491 38.460 0.445 0.000 0.979 241 Y HN 0.314 nan 8.280 nan 0.000 0.521 242 H N 0.436 119.632 119.070 0.209 0.000 2.265 242 H HA -0.174 4.382 4.556 -0.001 0.000 0.295 242 H C 2.001 177.330 175.328 0.002 0.000 1.084 242 H CA 2.270 58.368 56.048 0.084 0.000 1.261 242 H CB -0.277 29.500 29.762 0.025 0.000 1.360 242 H HN 0.136 nan 8.280 nan 0.000 0.487 243 N N 0.558 119.168 118.700 -0.150 0.000 2.104 243 N HA -0.165 4.574 4.740 -0.001 0.000 0.190 243 N C 1.962 177.358 175.510 -0.189 0.000 1.024 243 N CA 1.174 53.995 53.050 -0.382 0.000 0.853 243 N CB -0.806 36.829 38.487 -1.420 0.000 1.008 243 N HN 0.548 nan 8.380 nan 0.000 0.424 244 A N -0.107 122.726 122.820 0.023 0.000 1.848 244 A HA 0.009 4.329 4.320 -0.001 0.000 0.217 244 A C 1.712 179.369 177.584 0.122 0.000 1.220 244 A CA 2.601 54.774 52.037 0.227 0.000 0.645 244 A CB -0.937 18.229 19.000 0.276 0.000 0.842 244 A HN 0.430 nan 8.150 nan 0.000 0.451 245 G N -3.478 105.364 108.800 0.070 0.000 4.719 245 G HA2 0.486 4.446 3.960 -0.001 0.000 0.220 245 G HA3 0.486 4.446 3.960 -0.001 0.000 0.220 245 G C 0.122 175.017 174.900 -0.007 0.000 0.663 245 G CA 0.436 45.534 45.100 -0.003 0.000 0.969 245 G HN 1.154 nan 8.290 nan 0.000 0.716 246 A N 0.658 123.513 122.820 0.058 0.000 2.477 246 A HA 0.700 5.019 4.320 -0.001 0.000 0.246 246 A C 1.237 178.834 177.584 0.021 0.000 1.078 246 A CA 0.795 52.877 52.037 0.075 0.000 0.770 246 A CB 0.378 19.485 19.000 0.178 0.000 1.011 246 A HN 1.090 nan 8.150 nan 0.000 0.494 247 G N 0.175 108.981 108.800 0.010 0.000 2.504 247 G HA2 0.265 4.224 3.960 -0.001 0.000 0.257 247 G HA3 0.265 4.224 3.960 -0.001 0.000 0.257 247 G C 0.417 175.355 174.900 0.064 0.000 1.451 247 G CA 0.251 45.375 45.100 0.040 0.000 1.059 247 G HN 0.703 nan 8.290 nan 0.000 0.550 248 D N -1.233 119.204 120.400 0.060 0.000 2.103 248 D HA -0.099 4.540 4.640 -0.001 0.000 0.199 248 D C 2.781 179.086 176.300 0.008 0.000 0.978 248 D CA 0.894 54.925 54.000 0.051 0.000 0.829 248 D CB -0.026 40.807 40.800 0.056 0.000 0.981 248 D HN 0.066 nan 8.370 nan 0.000 0.464 249 V N 2.136 122.043 119.914 -0.012 0.000 2.237 249 V HA -0.245 3.874 4.120 -0.001 0.000 0.245 249 V C 2.700 178.712 176.094 -0.136 0.000 1.046 249 V CA 1.966 64.239 62.300 -0.045 0.000 1.007 249 V CB -0.935 30.865 31.823 -0.038 0.000 0.638 249 V HN 0.147 nan 8.190 nan 0.000 0.445 250 A N -0.546 122.156 122.820 -0.195 0.000 1.892 250 A HA -0.326 3.993 4.320 -0.001 0.000 0.218 250 A C 2.314 179.707 177.584 -0.318 0.000 1.188 250 A CA 2.339 54.131 52.037 -0.408 0.000 0.631 250 A CB -0.629 18.163 19.000 -0.347 0.000 0.822 250 A HN 0.644 nan 8.150 nan 0.000 0.447 251 E N -0.873 119.291 120.200 -0.059 0.000 2.072 251 E HA -0.179 4.171 4.350 -0.001 0.000 0.191 251 E C 1.923 178.544 176.600 0.035 0.000 0.985 251 E CA 1.262 57.708 56.400 0.077 0.000 0.801 251 E CB -0.158 29.641 29.700 0.164 0.000 0.750 251 E HN 0.449 nan 8.360 nan 0.000 0.452 252 L N 0.780 121.993 121.223 -0.016 0.000 2.093 252 L HA -0.049 4.291 4.340 -0.001 0.000 0.208 252 L C 2.213 179.058 176.870 -0.042 0.000 1.085 252 L CA 2.038 56.861 54.840 -0.029 0.000 0.755 252 L CB -0.673 41.373 42.059 -0.022 0.000 0.904 252 L HN 0.132 nan 8.230 nan 0.000 0.435 253 A N -1.250 121.516 122.820 -0.089 0.000 1.902 253 A HA -0.208 4.112 4.320 -0.001 0.000 0.217 253 A C 1.970 179.539 177.584 -0.025 0.000 1.181 253 A CA 1.677 53.665 52.037 -0.083 0.000 0.623 253 A CB -1.098 17.782 19.000 -0.200 0.000 0.818 253 A HN 0.652 nan 8.150 nan 0.000 0.443 254 W N -0.447 120.779 121.300 -0.124 0.000 2.678 254 W HA 0.233 4.892 4.660 -0.001 0.000 0.256 254 W C 2.543 178.962 176.519 -0.167 0.000 1.280 254 W CA 0.063 57.276 57.345 -0.220 0.000 1.345 254 W CB -0.901 28.243 29.460 -0.526 0.000 1.118 254 W HN 0.475 nan 8.180 nan 0.000 0.629 255 A N 0.588 123.470 122.820 0.103 0.000 1.873 255 A HA -0.145 4.175 4.320 -0.001 0.000 0.215 255 A C 2.103 179.721 177.584 0.056 0.000 1.186 255 A CA 1.518 53.634 52.037 0.132 0.000 0.616 255 A CB -0.917 18.170 19.000 0.146 0.000 0.823 255 A HN 0.185 nan 8.150 nan 0.000 0.442 256 L N -0.316 120.837 121.223 -0.117 0.000 1.989 256 L HA -0.212 4.127 4.340 -0.001 0.000 0.211 256 L C 3.042 179.588 176.870 -0.539 0.000 1.071 256 L CA 1.394 56.001 54.840 -0.389 0.000 0.749 256 L CB -1.022 40.540 42.059 -0.828 0.000 0.890 256 L HN 0.385 nan 8.230 nan 0.000 0.431 257 A N 0.254 122.882 122.820 -0.320 0.000 1.859 257 A HA -0.284 4.035 4.320 -0.001 0.000 0.218 257 A C 2.417 179.993 177.584 -0.012 0.000 1.209 257 A CA 2.973 55.059 52.037 0.082 0.000 0.639 257 A CB -1.366 17.815 19.000 0.302 0.000 0.835 257 A HN 0.466 nan 8.150 nan 0.000 0.450 258 T N -0.201 114.306 114.554 -0.078 0.000 2.607 258 T HA -0.086 4.263 4.350 -0.001 0.000 0.267 258 T C 2.010 176.505 174.700 -0.342 0.000 1.049 258 T CA 1.989 63.937 62.100 -0.254 0.000 1.162 258 T CB -1.232 67.511 68.868 -0.209 0.000 0.863 258 T HN 0.750 nan 8.240 nan 0.000 0.424 259 G N 1.932 110.639 108.800 -0.155 0.000 2.833 259 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.226 259 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.226 259 G C 1.775 176.747 174.900 0.121 0.000 1.228 259 G CA 2.245 47.399 45.100 0.090 0.000 0.779 259 G HN 0.697 nan 8.290 nan 0.000 0.651 260 A N 0.764 123.670 122.820 0.144 0.000 1.887 260 A HA -0.322 3.997 4.320 -0.001 0.000 0.225 260 A C 2.186 179.821 177.584 0.085 0.000 1.464 260 A CA 3.017 55.146 52.037 0.153 0.000 0.717 260 A CB -0.940 18.216 19.000 0.260 0.000 0.848 260 A HN 0.575 nan 8.150 nan 0.000 0.477 261 E N -1.186 119.019 120.200 0.007 0.000 2.130 261 E HA -0.244 4.106 4.350 -0.001 0.000 0.196 261 E C 1.913 178.543 176.600 0.050 0.000 0.998 261 E CA 1.860 58.258 56.400 -0.004 0.000 0.806 261 E CB -0.561 29.090 29.700 -0.081 0.000 0.738 261 E HN 0.879 nan 8.360 nan 0.000 0.459 262 Y N 0.809 121.137 120.300 0.045 0.000 2.337 262 Y HA -0.045 4.504 4.550 -0.001 0.000 0.293 262 Y C 2.594 178.496 175.900 0.004 0.000 1.123 262 Y CA -0.187 57.924 58.100 0.019 0.000 1.201 262 Y CB -1.142 37.306 38.460 -0.021 0.000 1.011 262 Y HN -0.188 nan 8.280 nan 0.000 0.545 263 V N 0.769 120.725 119.914 0.070 0.000 2.214 263 V HA -0.372 3.747 4.120 -0.001 0.000 0.247 263 V C 2.595 178.623 176.094 -0.110 0.000 1.051 263 V CA 2.385 64.604 62.300 -0.134 0.000 1.003 263 V CB -0.768 30.775 31.823 -0.467 0.000 0.635 263 V HN 0.290 nan 8.190 nan 0.000 0.447 264 R N 0.014 120.515 120.500 0.001 0.000 2.154 264 R HA -0.312 4.027 4.340 -0.001 0.000 0.236 264 R C 2.360 178.786 176.300 0.211 0.000 1.121 264 R CA 2.430 58.700 56.100 0.282 0.000 0.915 264 R CB -0.852 29.646 30.300 0.331 0.000 0.856 264 R HN 0.501 nan 8.270 nan 0.000 0.431 265 A N 0.864 123.797 122.820 0.189 0.000 1.896 265 A HA -0.230 4.089 4.320 -0.001 0.000 0.220 265 A C 2.261 179.951 177.584 0.176 0.000 1.206 265 A CA 2.232 54.378 52.037 0.180 0.000 0.647 265 A CB -0.895 18.230 19.000 0.207 0.000 0.828 265 A HN 0.434 nan 8.150 nan 0.000 0.455 266 L N -0.376 120.954 121.223 0.179 0.000 2.456 266 L HA -0.086 4.253 4.340 -0.001 0.000 0.224 266 L C 2.152 179.184 176.870 0.270 0.000 1.148 266 L CA 0.453 55.428 54.840 0.225 0.000 0.825 266 L CB -0.418 41.731 42.059 0.149 0.000 0.937 266 L HN 0.235 nan 8.230 nan 0.000 0.450 267 V N -0.517 119.525 119.914 0.214 0.000 2.407 267 V HA -0.174 3.946 4.120 -0.001 0.000 0.245 267 V C 2.284 178.474 176.094 0.160 0.000 1.041 267 V CA 1.450 63.873 62.300 0.205 0.000 1.040 267 V CB -0.420 31.543 31.823 0.233 0.000 0.671 267 V HN 0.434 nan 8.190 nan 0.000 0.455 268 E N 0.283 120.573 120.200 0.151 0.000 2.153 268 E HA -0.206 4.144 4.350 -0.001 0.000 0.194 268 E C 1.457 178.107 176.600 0.084 0.000 0.988 268 E CA 0.910 57.375 56.400 0.110 0.000 0.811 268 E CB -0.084 29.683 29.700 0.112 0.000 0.746 268 E HN 0.645 nan 8.360 nan 0.000 0.466 269 Q N -0.690 119.172 119.800 0.103 0.000 2.286 269 Q HA 0.251 4.591 4.340 -0.001 0.000 0.281 269 Q C 0.411 176.414 176.000 0.006 0.000 0.897 269 Q CA 0.148 55.993 55.803 0.070 0.000 1.023 269 Q CB 1.268 30.069 28.738 0.104 0.000 1.151 269 Q HN 0.344 nan 8.270 nan 0.000 0.445 270 G N -0.104 108.668 108.800 -0.046 0.000 2.981 270 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.198 270 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.198 270 G C -0.058 174.705 174.900 -0.229 0.000 1.806 270 G CA -0.716 44.244 45.100 -0.233 0.000 1.374 270 G HN 0.291 nan 8.290 nan 0.000 0.555 271 F N 2.745 122.720 119.950 0.042 0.000 2.444 271 F HA 0.483 5.009 4.527 -0.001 0.000 0.297 271 F C 1.653 177.486 175.800 0.056 0.000 1.295 271 F CA 0.919 58.948 58.000 0.047 0.000 1.286 271 F CB 0.136 39.167 39.000 0.052 0.000 1.298 271 F HN 0.511 nan 8.300 nan 0.000 0.531 272 T N -2.622 112.105 114.554 0.288 0.000 2.807 272 T HA 0.671 5.020 4.350 -0.001 0.000 0.277 272 T C 0.707 175.501 174.700 0.157 0.000 1.006 272 T CA -0.386 61.822 62.100 0.180 0.000 1.006 272 T CB 1.144 70.088 68.868 0.126 0.000 1.274 272 T HN 0.573 nan 8.240 nan 0.000 0.569 273 A N 0.952 123.842 122.820 0.116 0.000 1.845 273 A HA -0.016 4.303 4.320 -0.001 0.000 0.215 273 A C 2.380 179.972 177.584 0.013 0.000 1.195 273 A CA 2.564 54.629 52.037 0.048 0.000 0.616 273 A CB -2.037 16.990 19.000 0.046 0.000 0.832 273 A HN 0.985 nan 8.150 nan 0.000 0.443 274 T N 0.268 114.834 114.554 0.020 0.000 2.565 274 T HA -0.292 4.057 4.350 -0.001 0.000 0.265 274 T C 1.648 176.400 174.700 0.087 0.000 1.082 274 T CA 1.893 64.014 62.100 0.035 0.000 1.173 274 T CB -0.734 68.162 68.868 0.047 0.000 0.864 274 T HN 0.648 nan 8.240 nan 0.000 0.425 275 E N 1.508 121.764 120.200 0.094 0.000 2.113 275 E HA -0.248 4.101 4.350 -0.001 0.000 0.210 275 E C 2.594 179.200 176.600 0.011 0.000 1.040 275 E CA 1.346 57.777 56.400 0.051 0.000 0.847 275 E CB -0.565 29.202 29.700 0.112 0.000 0.755 275 E HN 0.558 nan 8.360 nan 0.000 0.459 276 A N 0.814 123.666 122.820 0.054 0.000 1.870 276 A HA -0.242 4.077 4.320 -0.001 0.000 0.219 276 A C 1.935 179.639 177.584 0.200 0.000 1.224 276 A CA 1.935 54.027 52.037 0.092 0.000 0.650 276 A CB -1.076 17.994 19.000 0.116 0.000 0.836 276 A HN 0.293 nan 8.150 nan 0.000 0.454 277 F N 0.213 120.175 119.950 0.021 0.000 2.771 277 F HA 0.015 4.542 4.527 -0.001 0.000 0.299 277 F C 0.652 176.521 175.800 0.114 0.000 1.177 277 F CA 0.935 59.011 58.000 0.127 0.000 1.450 277 F CB 0.177 39.194 39.000 0.027 0.000 1.114 277 F HN 0.269 nan 8.300 nan 0.000 0.587 278 D N -2.376 118.139 120.400 0.192 0.000 2.513 278 D HA 0.063 4.703 4.640 -0.001 0.000 0.222 278 D C 1.823 178.138 176.300 0.026 0.000 1.210 278 D CA 0.397 54.460 54.000 0.105 0.000 0.825 278 D CB 0.272 41.127 40.800 0.091 0.000 1.037 278 D HN 0.124 nan 8.370 nan 0.000 0.506 279 T N -0.773 113.776 114.554 -0.009 0.000 2.958 279 T HA 0.257 4.607 4.350 -0.001 0.000 0.256 279 T C 0.529 175.167 174.700 -0.103 0.000 0.983 279 T CA -0.055 61.999 62.100 -0.076 0.000 0.924 279 T CB 0.454 69.239 68.868 -0.137 0.000 1.136 279 T HN -0.033 nan 8.240 nan 0.000 0.506 280 I N 3.552 124.069 120.570 -0.088 0.000 2.291 280 I HA 0.375 4.545 4.170 -0.001 0.000 0.292 280 I C -0.371 175.617 176.117 -0.215 0.000 1.064 280 I CA -0.605 60.584 61.300 -0.185 0.000 1.269 280 I CB 0.692 38.582 38.000 -0.183 0.000 1.418 280 I HN 0.101 nan 8.210 nan 0.000 0.485 281 N N 5.321 123.870 118.700 -0.252 0.000 2.472 281 N HA 0.575 5.315 4.740 -0.001 0.000 0.289 281 N C -1.147 174.163 175.510 -0.334 0.000 1.156 281 N CA -0.168 52.767 53.050 -0.192 0.000 0.940 281 N CB 1.271 39.667 38.487 -0.152 0.000 1.200 281 N HN 0.190 nan 8.380 nan 0.000 0.511 282 F N -0.004 119.777 119.950 -0.282 0.000 2.520 282 F HA 0.457 4.984 4.527 -0.001 0.000 0.322 282 F C 0.421 176.090 175.800 -0.218 0.000 1.103 282 F CA -0.875 56.957 58.000 -0.281 0.000 0.926 282 F CB 1.677 40.453 39.000 -0.374 0.000 1.154 282 F HN 0.198 nan 8.300 nan 0.000 0.453 283 R N 3.391 123.878 120.500 -0.021 0.000 2.343 283 R HA 0.783 5.123 4.340 -0.001 0.000 0.320 283 R C -1.716 174.564 176.300 -0.033 0.000 0.956 283 R CA -0.533 55.523 56.100 -0.073 0.000 0.836 283 R CB 1.072 31.285 30.300 -0.144 0.000 1.151 283 R HN 0.573 nan 8.270 nan 0.000 0.450 284 V N 0.075 119.952 119.914 -0.060 0.000 3.126 284 V HA 0.647 4.767 4.120 -0.001 0.000 0.314 284 V C -0.307 175.726 176.094 -0.103 0.000 1.138 284 V CA -0.939 61.327 62.300 -0.058 0.000 1.034 284 V CB 1.956 33.732 31.823 -0.079 0.000 1.075 284 V HN 0.709 nan 8.190 nan 0.000 0.442 285 T N 1.669 116.145 114.554 -0.131 0.000 2.909 285 T HA 0.748 5.097 4.350 -0.001 0.000 0.286 285 T C 0.003 174.590 174.700 -0.189 0.000 1.002 285 T CA 0.200 62.165 62.100 -0.224 0.000 1.074 285 T CB 1.443 70.026 68.868 -0.475 0.000 0.984 285 T HN 1.391 nan 8.240 nan 0.000 0.495 286 A N 2.420 125.139 122.820 -0.169 0.000 2.323 286 A HA 0.634 4.953 4.320 -0.001 0.000 0.305 286 A C 0.634 178.159 177.584 -0.100 0.000 1.275 286 A CA -0.788 51.182 52.037 -0.111 0.000 0.804 286 A CB 0.344 19.299 19.000 -0.075 0.000 1.152 286 A HN 0.885 nan 8.150 nan 0.000 0.487 287 T N -0.467 114.044 114.554 -0.073 0.000 2.833 287 T HA 0.255 4.604 4.350 -0.001 0.000 0.292 287 T C 1.129 175.884 174.700 0.091 0.000 1.031 287 T CA 0.574 62.663 62.100 -0.018 0.000 0.937 287 T CB 0.165 69.057 68.868 0.041 0.000 1.256 287 T HN 0.826 nan 8.240 nan 0.000 0.551 288 H N -1.967 117.110 119.070 0.013 0.000 2.551 288 H HA 0.300 4.855 4.556 -0.001 0.000 0.266 288 H C 0.330 175.667 175.328 0.015 0.000 0.964 288 H CA -0.423 55.632 56.048 0.012 0.000 1.180 288 H CB 0.193 29.965 29.762 0.017 0.000 1.408 288 H HN 0.475 nan 8.280 nan 0.000 0.563 289 D N 2.018 122.550 120.400 0.220 0.000 2.422 289 D HA -0.045 4.594 4.640 -0.001 0.000 0.227 289 D C 0.869 177.203 176.300 0.056 0.000 1.190 289 D CA 0.011 54.077 54.000 0.111 0.000 0.905 289 D CB 1.187 42.086 40.800 0.165 0.000 1.034 289 D HN 0.506 nan 8.370 nan 0.000 0.507 290 Q N 2.814 122.599 119.800 -0.024 0.000 2.029 290 Q HA -0.236 4.104 4.340 -0.001 0.000 0.209 290 Q C 1.107 176.962 176.000 -0.242 0.000 0.999 290 Q CA 1.957 57.643 55.803 -0.195 0.000 0.857 290 Q CB 0.036 28.533 28.738 -0.402 0.000 0.926 290 Q HN 0.542 nan 8.270 nan 0.000 0.415 291 F N -0.176 119.786 119.950 0.020 0.000 2.710 291 F HA 0.029 4.556 4.527 -0.001 0.000 0.298 291 F C 1.788 177.523 175.800 -0.108 0.000 1.137 291 F CA 0.273 58.202 58.000 -0.117 0.000 1.444 291 F CB 0.011 38.851 39.000 -0.267 0.000 1.111 291 F HN 0.084 nan 8.300 nan 0.000 0.580 292 L N -0.605 120.699 121.223 0.134 0.000 2.072 292 L HA -0.143 4.197 4.340 -0.001 0.000 0.205 292 L C 2.377 179.264 176.870 0.029 0.000 1.079 292 L CA 1.354 56.244 54.840 0.082 0.000 0.752 292 L CB -0.985 41.144 42.059 0.116 0.000 0.906 292 L HN 0.112 nan 8.230 nan 0.000 0.436 293 T N 0.284 114.844 114.554 0.009 0.000 2.643 293 T HA -0.197 4.152 4.350 -0.001 0.000 0.264 293 T C 1.902 176.565 174.700 -0.062 0.000 1.045 293 T CA 1.446 63.526 62.100 -0.034 0.000 1.155 293 T CB -0.296 68.544 68.868 -0.045 0.000 0.863 293 T HN 0.106 nan 8.240 nan 0.000 0.420 294 I N 1.467 121.990 120.570 -0.078 0.000 2.087 294 I HA -0.299 3.870 4.170 -0.001 0.000 0.240 294 I C 2.912 178.982 176.117 -0.080 0.000 1.054 294 I CA 1.617 62.860 61.300 -0.094 0.000 1.311 294 I CB -0.519 37.425 38.000 -0.093 0.000 1.024 294 I HN 0.239 nan 8.210 nan 0.000 0.402 295 A N 0.134 122.911 122.820 -0.071 0.000 1.917 295 A HA -0.297 4.023 4.320 -0.001 0.000 0.219 295 A C 2.430 179.983 177.584 -0.051 0.000 1.182 295 A CA 2.104 54.097 52.037 -0.072 0.000 0.633 295 A CB -0.751 18.203 19.000 -0.077 0.000 0.819 295 A HN 0.397 nan 8.150 nan 0.000 0.448 296 R N -0.514 119.961 120.500 -0.042 0.000 2.070 296 R HA -0.096 4.244 4.340 -0.001 0.000 0.233 296 R C 2.139 178.397 176.300 -0.070 0.000 1.137 296 R CA 1.633 57.708 56.100 -0.041 0.000 0.945 296 R CB -0.464 29.819 30.300 -0.029 0.000 0.845 296 R HN 0.549 nan 8.270 nan 0.000 0.430 297 L N 0.315 121.486 121.223 -0.087 0.000 1.990 297 L HA -0.263 4.076 4.340 -0.001 0.000 0.213 297 L C 2.811 179.622 176.870 -0.098 0.000 1.072 297 L CA 1.810 56.584 54.840 -0.110 0.000 0.755 297 L CB -0.490 41.497 42.059 -0.121 0.000 0.889 297 L HN 0.266 nan 8.230 nan 0.000 0.432 298 R N -0.268 120.186 120.500 -0.077 0.000 2.097 298 R HA -0.212 4.128 4.340 -0.001 0.000 0.236 298 R C 2.401 178.681 176.300 -0.033 0.000 1.135 298 R CA 1.512 57.581 56.100 -0.052 0.000 0.934 298 R CB -0.822 29.446 30.300 -0.053 0.000 0.846 298 R HN 0.405 nan 8.270 nan 0.000 0.431 299 A N 1.677 124.479 122.820 -0.030 0.000 1.896 299 A HA -0.259 4.061 4.320 -0.001 0.000 0.220 299 A C 2.223 179.800 177.584 -0.012 0.000 1.206 299 A CA 1.749 53.782 52.037 -0.007 0.000 0.647 299 A CB -0.944 18.056 19.000 0.000 0.000 0.828 299 A HN 0.329 nan 8.150 nan 0.000 0.455 300 L N -0.449 120.727 121.223 -0.077 0.000 1.976 300 L HA -0.366 3.973 4.340 -0.001 0.000 0.223 300 L C 2.970 179.777 176.870 -0.105 0.000 1.081 300 L CA 2.631 57.373 54.840 -0.162 0.000 0.784 300 L CB -0.408 41.445 42.059 -0.342 0.000 0.896 300 L HN 0.522 nan 8.230 nan 0.000 0.438 301 R N -0.713 119.729 120.500 -0.097 0.000 2.112 301 R HA -0.269 4.070 4.340 -0.001 0.000 0.242 301 R C 2.143 178.535 176.300 0.153 0.000 1.137 301 R CA 1.909 58.028 56.100 0.032 0.000 0.944 301 R CB -0.962 29.367 30.300 0.048 0.000 0.857 301 R HN 0.515 nan 8.270 nan 0.000 0.435 302 E N 0.849 121.121 120.200 0.120 0.000 2.055 302 E HA -0.264 4.085 4.350 -0.001 0.000 0.209 302 E C 1.867 178.545 176.600 0.131 0.000 1.036 302 E CA 1.875 58.346 56.400 0.117 0.000 0.849 302 E CB -0.148 29.588 29.700 0.061 0.000 0.767 302 E HN 0.476 nan 8.360 nan 0.000 0.461 303 A N 0.185 123.104 122.820 0.165 0.000 2.235 303 A HA -0.108 4.211 4.320 -0.001 0.000 0.208 303 A C 1.624 179.472 177.584 0.440 0.000 1.172 303 A CA 0.222 52.428 52.037 0.282 0.000 0.786 303 A CB -0.699 18.562 19.000 0.435 0.000 0.804 303 A HN 0.657 nan 8.150 nan 0.000 0.479 304 W N -0.073 121.293 121.300 0.110 0.000 2.812 304 W HA 0.134 4.793 4.660 -0.001 0.000 0.263 304 W C 1.832 178.500 176.519 0.248 0.000 1.284 304 W CA 0.728 58.123 57.345 0.085 0.000 1.430 304 W CB 0.115 29.471 29.460 -0.173 0.000 1.088 304 W HN 0.412 nan 8.180 nan 0.000 0.623 305 A N 1.296 124.232 122.820 0.195 0.000 1.855 305 A HA -0.230 4.090 4.320 -0.001 0.000 0.215 305 A C 1.900 179.544 177.584 0.100 0.000 1.191 305 A CA 1.942 54.076 52.037 0.161 0.000 0.613 305 A CB -0.921 18.216 19.000 0.229 0.000 0.829 305 A HN 0.200 nan 8.150 nan 0.000 0.442 306 R N 0.350 120.922 120.500 0.120 0.000 2.096 306 R HA -0.126 4.214 4.340 -0.001 0.000 0.240 306 R C 1.715 178.128 176.300 0.188 0.000 1.139 306 R CA 2.156 58.327 56.100 0.118 0.000 0.952 306 R CB -0.968 29.358 30.300 0.045 0.000 0.854 306 R HN 0.583 nan 8.270 nan 0.000 0.436 307 I N -0.312 120.417 120.570 0.264 0.000 2.264 307 I HA -0.146 4.023 4.170 -0.001 0.000 0.248 307 I C 2.367 178.511 176.117 0.045 0.000 1.111 307 I CA 1.494 62.948 61.300 0.256 0.000 1.382 307 I CB -0.819 37.332 38.000 0.252 0.000 1.060 307 I HN 0.368 nan 8.210 nan 0.000 0.418 308 G N 0.415 109.041 108.800 -0.289 0.000 2.514 308 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.217 308 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.217 308 G C 1.458 176.206 174.900 -0.254 0.000 1.198 308 G CA 1.086 45.737 45.100 -0.748 0.000 0.780 308 G HN 0.434 nan 8.290 nan 0.000 0.565 309 E N -0.373 119.770 120.200 -0.095 0.000 2.072 309 E HA -0.233 4.116 4.350 -0.001 0.000 0.218 309 E C 2.748 179.343 176.600 -0.009 0.000 1.051 309 E CA 2.277 58.660 56.400 -0.028 0.000 0.880 309 E CB -0.317 29.389 29.700 0.011 0.000 0.783 309 E HN 0.207 nan 8.360 nan 0.000 0.473 310 V N 0.175 120.108 119.914 0.032 0.000 2.250 310 V HA -0.288 3.831 4.120 -0.001 0.000 0.250 310 V C 2.190 178.259 176.094 -0.042 0.000 1.060 310 V CA 2.245 64.550 62.300 0.009 0.000 1.030 310 V CB -0.733 31.118 31.823 0.046 0.000 0.643 310 V HN 0.293 nan 8.190 nan 0.000 0.445 311 F N 0.496 120.403 119.950 -0.071 0.000 2.146 311 F HA 0.215 4.742 4.527 -0.001 0.000 0.298 311 F C 2.080 177.822 175.800 -0.098 0.000 1.096 311 F CA 1.901 59.853 58.000 -0.079 0.000 1.275 311 F CB -0.227 38.703 39.000 -0.116 0.000 1.008 311 F HN 0.336 nan 8.300 nan 0.000 0.480 312 G N -1.291 107.529 108.800 0.034 0.000 2.425 312 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.177 312 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.177 312 G C -0.183 174.670 174.900 -0.079 0.000 0.999 312 G CA -0.191 44.898 45.100 -0.018 0.000 0.723 312 G HN 0.080 nan 8.290 nan 0.000 0.491 313 V N 3.533 123.326 119.914 -0.203 0.000 2.681 313 V HA 0.164 4.284 4.120 -0.001 0.000 0.306 313 V C 0.515 176.518 176.094 -0.152 0.000 1.077 313 V CA 0.037 62.178 62.300 -0.265 0.000 1.224 313 V CB 0.232 31.648 31.823 -0.679 0.000 0.879 313 V HN 0.411 nan 8.190 nan 0.000 0.494 314 D N 3.985 124.348 120.400 -0.062 0.000 2.449 314 D HA -0.031 4.609 4.640 -0.001 0.000 0.236 314 D C 0.982 177.291 176.300 0.016 0.000 1.149 314 D CA -0.020 53.974 54.000 -0.010 0.000 0.878 314 D CB 0.891 41.704 40.800 0.022 0.000 1.198 314 D HN 0.674 nan 8.370 nan 0.000 0.446 315 E N 0.148 120.377 120.200 0.048 0.000 2.265 315 E HA -0.206 4.143 4.350 -0.001 0.000 0.196 315 E C 1.238 177.963 176.600 0.208 0.000 0.996 315 E CA 1.227 57.692 56.400 0.108 0.000 0.832 315 E CB 0.152 29.892 29.700 0.066 0.000 0.756 315 E HN 0.596 nan 8.360 nan 0.000 0.491 316 D N -0.292 120.212 120.400 0.173 0.000 2.213 316 D HA -0.111 4.528 4.640 -0.001 0.000 0.205 316 D C 1.431 177.911 176.300 0.300 0.000 0.961 316 D CA 0.620 54.754 54.000 0.222 0.000 0.853 316 D CB 0.097 40.973 40.800 0.126 0.000 0.967 316 D HN -0.150 nan 8.370 nan 0.000 0.496 317 K N 0.178 120.695 120.400 0.195 0.000 2.487 317 K HA 0.158 4.478 4.320 -0.001 0.000 0.192 317 K C 0.977 177.662 176.600 0.141 0.000 1.027 317 K CA 0.075 56.453 56.287 0.151 0.000 1.054 317 K CB 0.220 32.787 32.500 0.112 0.000 0.824 317 K HN 0.308 nan 8.250 nan 0.000 0.510 318 R N 0.350 120.903 120.500 0.088 0.000 2.388 318 R HA 0.118 4.458 4.340 -0.001 0.000 0.247 318 R C 0.735 176.840 176.300 -0.326 0.000 0.931 318 R CA -0.125 56.016 56.100 0.068 0.000 1.082 318 R CB 0.581 30.919 30.300 0.064 0.000 1.135 318 R HN -0.034 nan 8.270 nan 0.000 0.525 319 G N 0.752 108.918 108.800 -1.057 0.000 2.339 319 G HA2 0.422 4.381 3.960 -0.001 0.000 0.287 319 G HA3 0.422 4.381 3.960 -0.001 0.000 0.287 319 G C -0.168 174.546 174.900 -0.309 0.000 1.163 319 G CA -0.505 43.753 45.100 -1.403 0.000 0.872 319 G HN 0.241 nan 8.290 nan 0.000 0.464 320 A N 3.525 126.267 122.820 -0.130 0.000 2.524 320 A HA 0.367 4.687 4.320 -0.001 0.000 0.250 320 A C 0.804 178.243 177.584 -0.240 0.000 1.078 320 A CA -0.076 51.773 52.037 -0.314 0.000 0.761 320 A CB 0.144 18.766 19.000 -0.630 0.000 1.012 320 A HN 0.693 nan 8.150 nan 0.000 0.500 321 R N 2.657 123.060 120.500 -0.162 0.000 2.287 321 R HA 0.212 4.552 4.340 -0.001 0.000 0.327 321 R C -0.680 175.570 176.300 -0.085 0.000 1.109 321 R CA 0.004 56.048 56.100 -0.092 0.000 1.013 321 R CB 0.688 30.962 30.300 -0.044 0.000 1.126 321 R HN 0.813 nan 8.270 nan 0.000 0.503 322 Q N 2.091 121.817 119.800 -0.123 0.000 2.290 322 Q HA 0.288 4.627 4.340 -0.001 0.000 0.259 322 Q C -0.609 175.324 176.000 -0.111 0.000 0.941 322 Q CA -0.704 55.032 55.803 -0.113 0.000 0.912 322 Q CB 1.867 30.506 28.738 -0.166 0.000 1.244 322 Q HN 0.337 nan 8.270 nan 0.000 0.441 323 N N 1.852 120.492 118.700 -0.099 0.000 2.527 323 N HA 0.294 5.033 4.740 -0.001 0.000 0.236 323 N C -1.019 174.419 175.510 -0.119 0.000 0.999 323 N CA -0.141 52.841 53.050 -0.113 0.000 0.935 323 N CB 1.559 39.975 38.487 -0.118 0.000 1.132 323 N HN 0.581 nan 8.380 nan 0.000 0.511 324 A N 2.894 125.640 122.820 -0.124 0.000 2.366 324 A HA 0.460 4.780 4.320 -0.001 0.000 0.272 324 A C 0.126 177.648 177.584 -0.104 0.000 1.135 324 A CA -0.381 51.585 52.037 -0.119 0.000 0.804 324 A CB 0.277 19.199 19.000 -0.131 0.000 1.064 324 A HN 0.751 nan 8.150 nan 0.000 0.499 325 I N 2.646 123.155 120.570 -0.103 0.000 2.466 325 I HA 0.368 4.537 4.170 -0.001 0.000 0.289 325 I C 0.690 176.761 176.117 -0.077 0.000 1.026 325 I CA -0.291 60.959 61.300 -0.083 0.000 1.078 325 I CB 1.947 39.887 38.000 -0.101 0.000 1.249 325 I HN 0.837 nan 8.210 nan 0.000 0.429 326 T N 2.761 117.291 114.554 -0.039 0.000 2.903 326 T HA 0.077 4.427 4.350 -0.001 0.000 0.314 326 T C 0.356 175.035 174.700 -0.035 0.000 1.078 326 T CA -0.457 61.623 62.100 -0.033 0.000 1.114 326 T CB 1.012 69.885 68.868 0.009 0.000 0.987 326 T HN 0.578 nan 8.240 nan 0.000 0.548 327 S N 1.421 117.083 115.700 -0.063 0.000 2.528 327 S HA 0.134 4.604 4.470 -0.001 0.000 0.277 327 S C 0.488 175.126 174.600 0.062 0.000 1.297 327 S CA -0.796 57.381 58.200 -0.039 0.000 1.052 327 S CB -0.025 63.118 63.200 -0.096 0.000 0.917 327 S HN 0.877 nan 8.310 nan 0.000 0.492 328 W N 5.828 127.091 121.300 -0.062 0.000 2.418 328 W HA 0.052 4.712 4.660 -0.001 0.000 0.292 328 W C 2.238 178.733 176.519 -0.040 0.000 1.213 328 W CA 0.815 58.127 57.345 -0.056 0.000 1.283 328 W CB -0.158 29.223 29.460 -0.131 0.000 1.119 328 W HN 0.785 nan 8.180 nan 0.000 0.542 329 R N 0.472 120.864 120.500 -0.179 0.000 2.096 329 R HA -0.176 4.164 4.340 -0.001 0.000 0.235 329 R C 1.855 177.976 176.300 -0.299 0.000 1.127 329 R CA 2.027 57.918 56.100 -0.348 0.000 0.968 329 R CB -0.307 29.909 30.300 -0.139 0.000 0.861 329 R HN 0.214 nan 8.270 nan 0.000 0.440 330 E N 0.129 120.204 120.200 -0.208 0.000 2.347 330 E HA -0.051 4.298 4.350 -0.001 0.000 0.196 330 E C -0.035 176.465 176.600 -0.166 0.000 1.008 330 E CA 0.225 56.489 56.400 -0.228 0.000 0.852 330 E CB 0.030 29.526 29.700 -0.340 0.000 0.783 330 E HN 0.277 nan 8.360 nan 0.000 0.505 331 L N 1.566 122.677 121.223 -0.185 0.000 2.453 331 L HA 0.097 4.437 4.340 -0.001 0.000 0.272 331 L C 0.677 177.477 176.870 -0.117 0.000 1.182 331 L CA -0.164 54.606 54.840 -0.117 0.000 0.858 331 L CB 0.034 42.039 42.059 -0.090 0.000 1.120 331 L HN -0.019 nan 8.230 nan 0.000 0.474 332 T N -0.892 113.645 114.554 -0.028 0.000 2.932 332 T HA 0.401 4.750 4.350 -0.001 0.000 0.289 332 T C 0.575 175.297 174.700 0.037 0.000 1.039 332 T CA -0.885 61.212 62.100 -0.003 0.000 1.024 332 T CB 2.489 71.370 68.868 0.021 0.000 1.090 332 T HN 0.662 nan 8.240 nan 0.000 0.496 333 R N 0.158 120.686 120.500 0.047 0.000 2.064 333 R HA 0.140 4.479 4.340 -0.001 0.000 0.221 333 R C -0.054 176.295 176.300 0.083 0.000 1.136 333 R CA 0.514 56.656 56.100 0.069 0.000 0.980 333 R CB -0.022 30.319 30.300 0.069 0.000 0.876 333 R HN 0.662 nan 8.270 nan 0.000 0.437 334 E N 1.604 121.848 120.200 0.074 0.000 2.338 334 E HA 0.003 4.353 4.350 -0.001 0.000 0.272 334 E C -0.835 175.813 176.600 0.080 0.000 1.029 334 E CA 0.297 56.741 56.400 0.073 0.000 0.872 334 E CB 0.589 30.324 29.700 0.059 0.000 1.015 334 E HN 0.139 nan 8.360 nan 0.000 0.417 335 D N 3.532 123.990 120.400 0.097 0.000 3.038 335 D HA -0.136 4.503 4.640 -0.001 0.000 0.229 335 D C -1.701 174.696 176.300 0.162 0.000 1.182 335 D CA 0.144 54.214 54.000 0.117 0.000 0.852 335 D CB 0.064 40.906 40.800 0.071 0.000 0.932 335 D HN 0.296 nan 8.370 nan 0.000 0.406 336 P HA -0.140 nan 4.420 nan 0.000 0.223 336 P C 1.040 178.530 177.300 0.316 0.000 1.151 336 P CA 0.824 64.095 63.100 0.285 0.000 0.787 336 P CB -0.131 31.744 31.700 0.291 0.000 0.788 337 Y N -0.749 119.588 120.300 0.062 0.000 2.465 337 Y HA 0.061 4.611 4.550 -0.001 0.000 0.311 337 Y C 2.004 177.808 175.900 -0.160 0.000 1.204 337 Y CA 0.127 58.093 58.100 -0.223 0.000 1.272 337 Y CB -0.630 37.697 38.460 -0.220 0.000 1.083 337 Y HN -0.206 nan 8.280 nan 0.000 0.508 338 V N -0.575 119.375 119.914 0.060 0.000 3.644 338 V HA -0.055 4.065 4.120 -0.001 0.000 0.267 338 V C 1.365 177.469 176.094 0.018 0.000 1.277 338 V CA 0.551 62.870 62.300 0.031 0.000 1.096 338 V CB -0.016 31.833 31.823 0.045 0.000 0.828 338 V HN 0.466 nan 8.190 nan 0.000 0.446 339 N N 0.441 119.154 118.700 0.021 0.000 2.457 339 N HA 0.100 4.839 4.740 -0.001 0.000 0.180 339 N C 1.667 177.175 175.510 -0.002 0.000 1.050 339 N CA 0.908 53.981 53.050 0.038 0.000 0.906 339 N CB 0.266 38.816 38.487 0.106 0.000 0.968 339 N HN 0.430 nan 8.380 nan 0.000 0.445 340 I N 0.926 121.433 120.570 -0.105 0.000 2.252 340 I HA -0.191 3.979 4.170 -0.001 0.000 0.245 340 I C 2.066 178.148 176.117 -0.059 0.000 1.102 340 I CA 0.763 61.984 61.300 -0.132 0.000 1.385 340 I CB -0.154 37.686 38.000 -0.267 0.000 1.064 340 I HN 0.013 nan 8.210 nan 0.000 0.414 341 L N 0.129 121.327 121.223 -0.042 0.000 2.046 341 L HA -0.191 4.148 4.340 -0.001 0.000 0.208 341 L C 2.783 179.656 176.870 0.006 0.000 1.077 341 L CA 1.395 56.222 54.840 -0.021 0.000 0.747 341 L CB -0.647 41.402 42.059 -0.017 0.000 0.896 341 L HN 0.164 nan 8.230 nan 0.000 0.432 342 R N -0.037 120.479 120.500 0.028 0.000 2.073 342 R HA -0.129 4.211 4.340 -0.001 0.000 0.234 342 R C 2.353 178.682 176.300 0.048 0.000 1.134 342 R CA 1.480 57.614 56.100 0.056 0.000 0.952 342 R CB -0.652 29.683 30.300 0.057 0.000 0.850 342 R HN 0.452 nan 8.270 nan 0.000 0.433 343 G N -0.357 108.464 108.800 0.036 0.000 2.403 343 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.216 343 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.216 343 G C 1.435 176.365 174.900 0.050 0.000 1.154 343 G CA 0.536 45.662 45.100 0.042 0.000 0.784 343 G HN 0.209 nan 8.290 nan 0.000 0.538 344 S N 0.415 116.133 115.700 0.030 0.000 2.351 344 S HA -0.124 4.345 4.470 -0.001 0.000 0.220 344 S C 2.193 176.830 174.600 0.061 0.000 1.035 344 S CA 1.127 59.347 58.200 0.034 0.000 1.031 344 S CB -0.326 62.869 63.200 -0.009 0.000 0.928 344 S HN 0.350 nan 8.310 nan 0.000 0.433 345 I N 0.950 121.536 120.570 0.026 0.000 2.493 345 I HA -0.165 4.005 4.170 -0.001 0.000 0.254 345 I C 2.195 178.368 176.117 0.093 0.000 1.160 345 I CA 0.970 62.285 61.300 0.025 0.000 1.445 345 I CB -0.217 37.764 38.000 -0.033 0.000 1.086 345 I HN 0.300 nan 8.210 nan 0.000 0.433 346 A N -0.683 122.187 122.820 0.084 0.000 2.021 346 A HA -0.082 4.238 4.320 -0.001 0.000 0.216 346 A C 2.184 179.809 177.584 0.070 0.000 1.163 346 A CA 1.593 53.669 52.037 0.066 0.000 0.676 346 A CB -0.696 18.326 19.000 0.038 0.000 0.818 346 A HN 0.398 nan 8.150 nan 0.000 0.453 347 T N -0.750 113.874 114.554 0.116 0.000 2.857 347 T HA -0.044 4.305 4.350 -0.001 0.000 0.266 347 T C 1.572 176.389 174.700 0.195 0.000 1.048 347 T CA 1.213 63.406 62.100 0.154 0.000 1.139 347 T CB -0.376 68.622 68.868 0.216 0.000 0.874 347 T HN 0.451 nan 8.240 nan 0.000 0.455 348 F N 2.814 122.807 119.950 0.072 0.000 2.026 348 F HA -0.217 4.309 4.527 -0.001 0.000 0.296 348 F C 2.512 178.288 175.800 -0.040 0.000 1.133 348 F CA 1.735 59.763 58.000 0.047 0.000 1.188 348 F CB -0.696 38.303 39.000 -0.001 0.000 0.968 348 F HN 0.052 nan 8.300 nan 0.000 0.476 349 S N 0.623 116.394 115.700 0.118 0.000 2.380 349 S HA -0.305 4.165 4.470 -0.001 0.000 0.229 349 S C 2.166 176.673 174.600 -0.155 0.000 1.043 349 S CA 1.370 59.532 58.200 -0.064 0.000 1.038 349 S CB -1.104 62.089 63.200 -0.012 0.000 0.872 349 S HN 0.590 nan 8.310 nan 0.000 0.456 350 A N 0.556 123.291 122.820 -0.142 0.000 2.067 350 A HA 0.063 4.383 4.320 -0.001 0.000 0.217 350 A C 2.222 179.628 177.584 -0.297 0.000 1.156 350 A CA 1.407 53.330 52.037 -0.190 0.000 0.683 350 A CB -0.688 18.218 19.000 -0.157 0.000 0.808 350 A HN 0.441 nan 8.150 nan 0.000 0.455 351 S N -0.275 115.195 115.700 -0.382 0.000 2.355 351 S HA -0.122 4.348 4.470 -0.001 0.000 0.222 351 S C 1.807 176.165 174.600 -0.403 0.000 1.031 351 S CA 1.741 59.618 58.200 -0.538 0.000 0.993 351 S CB -0.373 62.509 63.200 -0.530 0.000 0.859 351 S HN 0.317 nan 8.310 nan 0.000 0.453 352 V N 1.252 120.927 119.914 -0.398 0.000 2.809 352 V HA 0.061 4.181 4.120 -0.001 0.000 0.256 352 V C 2.467 178.423 176.094 -0.230 0.000 1.080 352 V CA 1.502 63.599 62.300 -0.338 0.000 1.102 352 V CB -1.070 30.480 31.823 -0.455 0.000 0.705 352 V HN 0.609 nan 8.190 nan 0.000 0.475 353 G N -0.528 108.144 108.800 -0.214 0.000 2.603 353 G HA2 0.347 4.307 3.960 -0.001 0.000 0.214 353 G HA3 0.347 4.307 3.960 -0.001 0.000 0.214 353 G C 1.222 176.030 174.900 -0.154 0.000 1.140 353 G CA 0.670 45.672 45.100 -0.164 0.000 0.800 353 G HN 0.963 nan 8.290 nan 0.000 0.533 354 G N -0.778 107.909 108.800 -0.188 0.000 2.130 354 G HA2 0.187 4.147 3.960 -0.001 0.000 0.216 354 G HA3 0.187 4.147 3.960 -0.001 0.000 0.216 354 G C 0.475 175.268 174.900 -0.178 0.000 0.999 354 G CA 0.186 45.185 45.100 -0.169 0.000 0.686 354 G HN 1.301 nan 8.290 nan 0.000 0.515 355 A N -0.506 122.184 122.820 -0.217 0.000 2.547 355 A HA 0.548 4.868 4.320 -0.001 0.000 0.233 355 A C 1.277 178.731 177.584 -0.216 0.000 1.067 355 A CA 1.488 53.402 52.037 -0.206 0.000 0.763 355 A CB 0.292 19.160 19.000 -0.220 0.000 1.007 355 A HN 0.439 nan 8.150 nan 0.000 0.506 356 E N 0.157 120.257 120.200 -0.166 0.000 2.076 356 E HA 0.033 4.383 4.350 -0.001 0.000 0.190 356 E C 0.434 176.942 176.600 -0.153 0.000 0.979 356 E CA 1.600 57.916 56.400 -0.139 0.000 0.807 356 E CB 0.074 29.716 29.700 -0.096 0.000 0.761 356 E HN 0.760 nan 8.360 nan 0.000 0.454 357 S N -0.499 115.111 115.700 -0.150 0.000 2.546 357 S HA 0.625 5.095 4.470 -0.001 0.000 0.274 357 S C -0.536 173.985 174.600 -0.133 0.000 1.121 357 S CA -1.011 57.114 58.200 -0.126 0.000 0.887 357 S CB 1.417 64.576 63.200 -0.067 0.000 1.094 357 S HN 0.088 nan 8.310 nan 0.000 0.474 358 I N 1.514 122.027 120.570 -0.095 0.000 2.382 358 I HA 0.359 4.528 4.170 -0.001 0.000 0.286 358 I C -0.524 175.608 176.117 0.025 0.000 1.002 358 I CA -0.563 60.707 61.300 -0.050 0.000 1.135 358 I CB 1.812 39.797 38.000 -0.025 0.000 1.288 358 I HN 0.547 nan 8.210 nan 0.000 0.448 359 T N 4.254 118.801 114.554 -0.011 0.000 2.811 359 T HA 0.206 4.555 4.350 -0.001 0.000 0.309 359 T C 0.298 175.007 174.700 0.015 0.000 1.005 359 T CA -0.151 61.947 62.100 -0.003 0.000 0.955 359 T CB 0.328 69.172 68.868 -0.041 0.000 0.970 359 T HN 0.502 nan 8.240 nan 0.000 0.496 360 T N 5.584 120.162 114.554 0.041 0.000 2.891 360 T HA 0.311 4.661 4.350 -0.001 0.000 0.315 360 T C 0.740 175.463 174.700 0.039 0.000 1.054 360 T CA -0.526 61.602 62.100 0.046 0.000 0.958 360 T CB -0.106 68.803 68.868 0.068 0.000 1.008 360 T HN 0.444 nan 8.240 nan 0.000 0.521 361 L N 6.348 127.598 121.223 0.045 0.000 2.640 361 L HA 0.089 4.428 4.340 -0.001 0.000 0.280 361 L C -1.391 175.517 176.870 0.063 0.000 1.229 361 L CA -1.343 53.536 54.840 0.065 0.000 0.919 361 L CB 0.126 42.245 42.059 0.100 0.000 1.168 361 L HN 0.331 nan 8.230 nan 0.000 0.496 362 P HA -0.130 nan 4.420 nan 0.000 0.270 362 P C 0.398 177.741 177.300 0.072 0.000 1.227 362 P CA -0.061 63.056 63.100 0.028 0.000 0.788 362 P CB 0.290 31.966 31.700 -0.039 0.000 0.926 363 F N -0.821 119.063 119.950 -0.111 0.000 2.699 363 F HA 0.026 4.552 4.527 -0.001 0.000 0.298 363 F C 1.110 176.858 175.800 -0.087 0.000 1.154 363 F CA 0.896 58.825 58.000 -0.118 0.000 1.457 363 F CB -1.384 37.481 39.000 -0.225 0.000 1.106 363 F HN 0.218 nan 8.300 nan 0.000 0.585 364 T N -3.613 110.761 114.554 -0.300 0.000 3.174 364 T HA 0.159 4.509 4.350 -0.001 0.000 0.269 364 T C 1.210 175.865 174.700 -0.076 0.000 1.017 364 T CA -0.132 61.792 62.100 -0.293 0.000 0.899 364 T CB 0.008 68.582 68.868 -0.491 0.000 1.077 364 T HN 0.291 nan 8.240 nan 0.000 0.552 365 Q N 0.981 120.817 119.800 0.061 0.000 2.436 365 Q HA 0.378 4.717 4.340 -0.001 0.000 0.209 365 Q C 2.112 178.362 176.000 0.416 0.000 0.965 365 Q CA 1.048 57.007 55.803 0.260 0.000 0.910 365 Q CB -0.462 28.437 28.738 0.269 0.000 0.980 365 Q HN 0.736 nan 8.270 nan 0.000 0.491 366 A N -0.775 122.189 122.820 0.241 0.000 1.975 366 A HA 0.025 4.344 4.320 -0.001 0.000 0.215 366 A C 1.759 179.493 177.584 0.251 0.000 1.170 366 A CA 0.520 52.690 52.037 0.222 0.000 0.656 366 A CB -0.233 18.806 19.000 0.066 0.000 0.821 366 A HN 0.383 nan 8.150 nan 0.000 0.449 367 L N -1.306 120.006 121.223 0.148 0.000 2.023 367 L HA 0.265 4.605 4.340 -0.001 0.000 0.205 367 L C 1.468 178.324 176.870 -0.022 0.000 1.073 367 L CA 0.994 55.874 54.840 0.067 0.000 0.745 367 L CB -0.481 41.568 42.059 -0.017 0.000 0.900 367 L HN 0.572 nan 8.230 nan 0.000 0.435 368 G N -1.608 107.035 108.800 -0.263 0.000 2.323 368 G HA2 0.259 4.219 3.960 -0.001 0.000 0.291 368 G HA3 0.259 4.219 3.960 -0.001 0.000 0.291 368 G C -1.629 172.706 174.900 -0.941 0.000 1.278 368 G CA -1.013 43.553 45.100 -0.889 0.000 0.860 368 G HN -0.074 nan 8.290 nan 0.000 0.504 369 L N 1.585 122.261 121.223 -0.911 0.000 2.461 369 L HA 0.341 4.680 4.340 -0.001 0.000 0.272 369 L C -1.855 174.848 176.870 -0.277 0.000 1.197 369 L CA -1.396 53.182 54.840 -0.437 0.000 0.836 369 L CB 0.414 42.326 42.059 -0.245 0.000 1.105 369 L HN 0.232 nan 8.230 nan 0.000 0.477 370 P HA -0.038 nan 4.420 nan 0.000 0.264 370 P C 0.280 177.495 177.300 -0.141 0.000 1.193 370 P CA 0.047 63.082 63.100 -0.109 0.000 0.763 370 P CB 0.711 32.414 31.700 0.005 0.000 0.810 371 E N 3.190 123.307 120.200 -0.137 0.000 2.002 371 E HA -0.235 4.115 4.350 -0.001 0.000 0.205 371 E C 0.575 177.095 176.600 -0.133 0.000 1.020 371 E CA 2.055 58.360 56.400 -0.158 0.000 0.856 371 E CB 0.042 29.701 29.700 -0.069 0.000 0.788 371 E HN 0.635 nan 8.360 nan 0.000 0.477 372 D N -1.930 118.530 120.400 0.099 0.000 2.855 372 D HA 0.097 4.736 4.640 -0.001 0.000 0.231 372 D C 0.401 176.905 176.300 0.341 0.000 1.225 372 D CA -0.197 53.975 54.000 0.287 0.000 1.074 372 D CB -0.693 40.208 40.800 0.168 0.000 1.235 372 D HN 0.032 nan 8.370 nan 0.000 0.635 373 D N -1.850 118.702 120.400 0.254 0.000 2.183 373 D HA -0.053 4.586 4.640 -0.001 0.000 0.203 373 D C 1.646 178.080 176.300 0.223 0.000 0.969 373 D CA 0.385 54.502 54.000 0.196 0.000 0.842 373 D CB -0.201 40.679 40.800 0.133 0.000 0.957 373 D HN 0.191 nan 8.370 nan 0.000 0.484 374 F N 1.507 121.503 119.950 0.076 0.000 2.067 374 F HA -0.273 4.254 4.527 -0.001 0.000 0.295 374 F C -0.994 174.861 175.800 0.093 0.000 1.142 374 F CA 1.871 59.923 58.000 0.087 0.000 1.230 374 F CB -1.838 37.219 39.000 0.095 0.000 0.941 374 F HN 0.107 nan 8.300 nan 0.000 0.518 375 P HA -0.213 nan 4.420 nan 0.000 0.215 375 P C 2.200 179.447 177.300 -0.088 0.000 1.163 375 P CA 2.317 65.277 63.100 -0.233 0.000 0.894 375 P CB -0.247 31.269 31.700 -0.307 0.000 0.791 376 L N -1.303 119.906 121.223 -0.024 0.000 2.127 376 L HA -0.147 4.192 4.340 -0.001 0.000 0.211 376 L C 2.821 179.695 176.870 0.008 0.000 1.089 376 L CA 1.457 56.295 54.840 -0.004 0.000 0.757 376 L CB -0.670 41.405 42.059 0.028 0.000 0.899 376 L HN -0.092 nan 8.230 nan 0.000 0.434 377 R N 0.188 120.703 120.500 0.024 0.000 2.093 377 R HA -0.080 4.259 4.340 -0.001 0.000 0.224 377 R C 2.269 178.565 176.300 -0.006 0.000 1.101 377 R CA 0.798 56.916 56.100 0.030 0.000 0.979 377 R CB 0.130 30.480 30.300 0.082 0.000 0.877 377 R HN 0.202 nan 8.270 nan 0.000 0.441 378 I N 1.155 121.691 120.570 -0.057 0.000 2.252 378 I HA -0.166 4.004 4.170 -0.001 0.000 0.245 378 I C 2.524 178.618 176.117 -0.038 0.000 1.102 378 I CA 1.364 62.613 61.300 -0.085 0.000 1.385 378 I CB -1.574 36.321 38.000 -0.175 0.000 1.064 378 I HN 0.204 nan 8.210 nan 0.000 0.414 379 A N 2.318 125.128 122.820 -0.017 0.000 1.841 379 A HA -0.255 4.065 4.320 -0.001 0.000 0.216 379 A C 2.493 180.081 177.584 0.007 0.000 1.199 379 A CA 2.467 54.505 52.037 0.003 0.000 0.621 379 A CB -0.874 18.126 19.000 0.000 0.000 0.835 379 A HN 0.530 nan 8.150 nan 0.000 0.445 380 R N -0.885 119.617 120.500 0.003 0.000 2.105 380 R HA -0.119 4.221 4.340 -0.001 0.000 0.239 380 R C 1.219 177.505 176.300 -0.022 0.000 1.135 380 R CA 1.840 57.944 56.100 0.006 0.000 0.967 380 R CB -0.683 29.623 30.300 0.011 0.000 0.861 380 R HN 0.380 nan 8.270 nan 0.000 0.442 381 N N 0.146 118.828 118.700 -0.031 0.000 2.515 381 N HA -0.031 4.709 4.740 -0.001 0.000 0.185 381 N C 0.921 176.388 175.510 -0.072 0.000 1.109 381 N CA 1.187 54.203 53.050 -0.057 0.000 0.903 381 N CB -0.015 38.450 38.487 -0.037 0.000 0.969 381 N HN 0.317 nan 8.380 nan 0.000 0.450 382 T N -0.836 113.690 114.554 -0.045 0.000 2.701 382 T HA -0.068 4.281 4.350 -0.001 0.000 0.263 382 T C 1.910 176.577 174.700 -0.057 0.000 1.040 382 T CA 1.542 63.626 62.100 -0.026 0.000 1.147 382 T CB -0.578 68.302 68.868 0.020 0.000 0.865 382 T HN 0.353 nan 8.240 nan 0.000 0.426 383 G N 0.939 109.703 108.800 -0.061 0.000 2.402 383 G HA2 -0.080 3.879 3.960 -0.001 0.000 0.216 383 G HA3 -0.080 3.879 3.960 -0.001 0.000 0.216 383 G C 1.556 175.980 174.900 -0.792 0.000 1.162 383 G CA 0.391 45.344 45.100 -0.245 0.000 0.777 383 G HN 0.461 nan 8.290 nan 0.000 0.539 384 I N 0.316 120.611 120.570 -0.458 0.000 2.142 384 I HA -0.160 4.009 4.170 -0.001 0.000 0.240 384 I C 2.814 178.727 176.117 -0.339 0.000 1.078 384 I CA 0.573 61.637 61.300 -0.393 0.000 1.343 384 I CB -0.349 37.531 38.000 -0.200 0.000 1.046 384 I HN 0.019 nan 8.210 nan 0.000 0.405 385 V N 0.972 120.748 119.914 -0.230 0.000 2.255 385 V HA -0.308 3.812 4.120 -0.001 0.000 0.247 385 V C 2.439 178.411 176.094 -0.203 0.000 1.051 385 V CA 1.911 64.111 62.300 -0.166 0.000 1.018 385 V CB -0.592 31.174 31.823 -0.096 0.000 0.641 385 V HN 0.354 nan 8.190 nan 0.000 0.445 386 L N -0.141 120.936 121.223 -0.242 0.000 2.021 386 L HA -0.281 4.059 4.340 -0.001 0.000 0.215 386 L C 2.734 179.396 176.870 -0.346 0.000 1.074 386 L CA 1.909 56.623 54.840 -0.210 0.000 0.760 386 L CB -0.862 41.139 42.059 -0.097 0.000 0.889 386 L HN 0.414 nan 8.230 nan 0.000 0.433 387 A N -0.174 122.151 122.820 -0.826 0.000 1.851 387 A HA -0.229 4.090 4.320 -0.001 0.000 0.216 387 A C 2.115 179.574 177.584 -0.208 0.000 1.195 387 A CA 2.030 53.718 52.037 -0.582 0.000 0.622 387 A CB -0.433 18.048 19.000 -0.865 0.000 0.831 387 A HN 0.530 nan 8.150 nan 0.000 0.444 388 E N -1.234 118.838 120.200 -0.214 0.000 2.364 388 E HA -0.003 4.346 4.350 -0.001 0.000 0.196 388 E C 1.542 178.098 176.600 -0.073 0.000 0.990 388 E CA 0.708 57.041 56.400 -0.112 0.000 0.886 388 E CB 0.148 29.778 29.700 -0.115 0.000 0.866 388 E HN 0.756 nan 8.360 nan 0.000 0.493 389 E N 0.095 120.249 120.200 -0.076 0.000 2.364 389 E HA 0.020 4.369 4.350 -0.001 0.000 0.203 389 E C 1.856 178.446 176.600 -0.018 0.000 0.888 389 E CA 0.216 56.592 56.400 -0.041 0.000 0.989 389 E CB 0.822 30.498 29.700 -0.040 0.000 0.985 389 E HN -0.021 nan 8.360 nan 0.000 0.499 390 V N 0.728 120.634 119.914 -0.014 0.000 2.685 390 V HA -0.003 4.117 4.120 -0.001 0.000 0.244 390 V C 0.189 176.313 176.094 0.050 0.000 1.054 390 V CA 0.896 63.216 62.300 0.033 0.000 1.076 390 V CB -0.625 31.241 31.823 0.071 0.000 0.725 390 V HN 0.299 nan 8.190 nan 0.000 0.467 391 N N -0.465 118.256 118.700 0.034 0.000 2.815 391 N HA -0.210 4.530 4.740 -0.001 0.000 0.249 391 N C 0.722 176.287 175.510 0.092 0.000 1.114 391 N CA 0.764 53.845 53.050 0.051 0.000 0.717 391 N CB -1.338 37.171 38.487 0.037 0.000 1.074 391 N HN 0.742 nan 8.380 nan 0.000 0.555 392 I N -4.740 115.916 120.570 0.143 0.000 2.928 392 I HA 0.186 4.355 4.170 -0.001 0.000 0.266 392 I C 1.793 177.979 176.117 0.114 0.000 1.234 392 I CA 1.182 62.557 61.300 0.124 0.000 1.483 392 I CB 0.016 38.075 38.000 0.097 0.000 1.097 392 I HN 0.149 nan 8.210 nan 0.000 0.455 393 G N 0.688 109.617 108.800 0.214 0.000 3.189 393 G HA2 0.160 4.120 3.960 -0.001 0.000 0.225 393 G HA3 0.160 4.120 3.960 -0.001 0.000 0.225 393 G C 1.543 176.501 174.900 0.096 0.000 1.159 393 G CA -0.343 44.850 45.100 0.155 0.000 0.763 393 G HN 0.261 nan 8.290 nan 0.000 0.549 394 R N -0.589 119.958 120.500 0.077 0.000 2.119 394 R HA 0.106 4.446 4.340 -0.001 0.000 0.222 394 R C 0.252 176.569 176.300 0.029 0.000 1.088 394 R CA 0.330 56.462 56.100 0.053 0.000 0.984 394 R CB 0.148 30.477 30.300 0.048 0.000 0.884 394 R HN 0.219 nan 8.270 nan 0.000 0.447 395 V N 2.102 122.025 119.914 0.016 0.000 2.532 395 V HA 0.136 4.256 4.120 -0.001 0.000 0.295 395 V C 0.082 176.165 176.094 -0.019 0.000 1.041 395 V CA -0.929 61.371 62.300 -0.000 0.000 0.926 395 V CB 1.667 33.488 31.823 -0.003 0.000 0.992 395 V HN 0.196 nan 8.190 nan 0.000 0.457 396 N N 2.110 120.798 118.700 -0.021 0.000 2.525 396 N HA 0.059 4.799 4.740 -0.001 0.000 0.271 396 N C -0.020 175.459 175.510 -0.051 0.000 1.194 396 N CA -0.115 52.915 53.050 -0.034 0.000 0.964 396 N CB 0.443 38.919 38.487 -0.018 0.000 1.126 396 N HN 0.852 nan 8.380 nan 0.000 0.452 397 D N 1.300 121.659 120.400 -0.068 0.000 3.783 397 D HA -0.142 4.497 4.640 -0.001 0.000 0.188 397 D C -1.429 174.827 176.300 -0.072 0.000 1.235 397 D CA -0.210 53.743 54.000 -0.078 0.000 0.815 397 D CB 0.325 41.084 40.800 -0.069 0.000 0.923 397 D HN 0.381 nan 8.370 nan 0.000 0.462 398 P HA -0.077 nan 4.420 nan 0.000 0.221 398 P C 1.135 178.407 177.300 -0.047 0.000 1.150 398 P CA 1.312 64.377 63.100 -0.058 0.000 0.800 398 P CB 0.143 31.807 31.700 -0.060 0.000 0.787 399 A N 0.720 123.509 122.820 -0.051 0.000 1.873 399 A HA 0.147 4.466 4.320 -0.001 0.000 0.215 399 A C 1.698 179.245 177.584 -0.062 0.000 1.186 399 A CA 0.960 52.975 52.037 -0.036 0.000 0.616 399 A CB -1.922 17.059 19.000 -0.032 0.000 0.823 399 A HN 0.270 nan 8.150 nan 0.000 0.442 400 G N -0.704 108.055 108.800 -0.070 0.000 2.925 400 G HA2 0.326 4.286 3.960 -0.001 0.000 0.316 400 G HA3 0.326 4.286 3.960 -0.001 0.000 0.316 400 G C 1.220 176.073 174.900 -0.077 0.000 0.265 400 G CA 0.594 45.649 45.100 -0.075 0.000 1.208 400 G HN 1.951 nan 8.290 nan 0.000 0.208 401 G N 0.742 109.502 108.800 -0.067 0.000 2.141 401 G HA2 -0.059 3.900 3.960 -0.001 0.000 0.231 401 G HA3 -0.059 3.900 3.960 -0.001 0.000 0.231 401 G C 0.578 175.414 174.900 -0.107 0.000 0.984 401 G CA 0.750 45.816 45.100 -0.057 0.000 0.660 401 G HN 2.026 nan 8.290 nan 0.000 0.525 402 S N 0.230 115.857 115.700 -0.123 0.000 2.465 402 S HA 0.562 5.032 4.470 -0.001 0.000 0.279 402 S C 1.788 176.332 174.600 -0.094 0.000 1.201 402 S CA -0.031 58.046 58.200 -0.204 0.000 1.053 402 S CB 0.413 63.523 63.200 -0.149 0.000 0.953 402 S HN 0.341 nan 8.310 nan 0.000 0.488 403 Y N 4.557 124.850 120.300 -0.011 0.000 2.029 403 Y HA -0.247 4.303 4.550 -0.001 0.000 0.269 403 Y C 2.120 177.997 175.900 -0.038 0.000 1.201 403 Y CA 2.202 60.316 58.100 0.024 0.000 1.115 403 Y CB -1.781 36.727 38.460 0.080 0.000 0.945 403 Y HN 0.914 nan 8.280 nan 0.000 0.497 404 Y N 0.768 120.957 120.300 -0.185 0.000 2.030 404 Y HA -0.271 4.279 4.550 -0.001 0.000 0.274 404 Y C 2.522 178.109 175.900 -0.523 0.000 1.153 404 Y CA 1.482 59.139 58.100 -0.739 0.000 1.115 404 Y CB -1.083 37.037 38.460 -0.567 0.000 0.969 404 Y HN -0.051 nan 8.280 nan 0.000 0.488 405 V N 1.108 120.749 119.914 -0.454 0.000 2.233 405 V HA -0.313 3.807 4.120 -0.001 0.000 0.247 405 V C 2.530 178.487 176.094 -0.228 0.000 1.050 405 V CA 2.274 64.312 62.300 -0.436 0.000 1.010 405 V CB -0.784 30.878 31.823 -0.269 0.000 0.637 405 V HN 0.342 nan 8.190 nan 0.000 0.444 406 E N 0.182 120.305 120.200 -0.128 0.000 2.055 406 E HA -0.286 4.064 4.350 -0.001 0.000 0.209 406 E C 2.484 179.058 176.600 -0.043 0.000 1.036 406 E CA 2.061 58.428 56.400 -0.055 0.000 0.849 406 E CB -1.019 28.684 29.700 0.004 0.000 0.767 406 E HN 0.527 nan 8.360 nan 0.000 0.461 407 S N 0.091 115.770 115.700 -0.035 0.000 2.359 407 S HA -0.180 4.290 4.470 -0.001 0.000 0.223 407 S C 2.096 176.690 174.600 -0.011 0.000 1.039 407 S CA 1.305 59.518 58.200 0.022 0.000 1.042 407 S CB -0.396 62.904 63.200 0.165 0.000 0.915 407 S HN 0.153 nan 8.310 nan 0.000 0.439 408 L N 1.367 122.531 121.223 -0.098 0.000 2.034 408 L HA -0.182 4.158 4.340 -0.001 0.000 0.217 408 L C 2.627 179.480 176.870 -0.029 0.000 1.077 408 L CA 2.407 57.216 54.840 -0.052 0.000 0.769 408 L CB -1.330 40.644 42.059 -0.142 0.000 0.890 408 L HN 0.379 nan 8.230 nan 0.000 0.435 409 T N -1.364 113.160 114.554 -0.050 0.000 2.597 409 T HA -0.325 4.024 4.350 -0.001 0.000 0.267 409 T C 1.960 176.663 174.700 0.004 0.000 1.053 409 T CA 1.778 63.862 62.100 -0.026 0.000 1.165 409 T CB -0.354 68.492 68.868 -0.038 0.000 0.863 409 T HN 0.194 nan 8.240 nan 0.000 0.427 410 R N 1.847 122.353 120.500 0.010 0.000 2.082 410 R HA -0.068 4.271 4.340 -0.001 0.000 0.234 410 R C 2.526 178.854 176.300 0.045 0.000 1.136 410 R CA 2.323 58.438 56.100 0.026 0.000 0.935 410 R CB -1.238 29.081 30.300 0.030 0.000 0.842 410 R HN 0.401 nan 8.270 nan 0.000 0.430 411 S N 0.945 116.681 115.700 0.060 0.000 2.359 411 S HA -0.201 4.268 4.470 -0.001 0.000 0.223 411 S C 2.074 176.717 174.600 0.072 0.000 1.039 411 S CA 1.675 59.920 58.200 0.076 0.000 1.042 411 S CB -0.661 62.597 63.200 0.096 0.000 0.915 411 S HN 0.321 nan 8.310 nan 0.000 0.439 412 L N 1.076 122.334 121.223 0.058 0.000 2.042 412 L HA -0.183 4.157 4.340 -0.001 0.000 0.210 412 L C 2.811 179.728 176.870 0.078 0.000 1.076 412 L CA 1.284 56.158 54.840 0.057 0.000 0.749 412 L CB -0.706 41.373 42.059 0.033 0.000 0.893 412 L HN 0.393 nan 8.230 nan 0.000 0.432 413 A N -0.017 122.851 122.820 0.081 0.000 1.851 413 A HA -0.289 4.031 4.320 -0.001 0.000 0.216 413 A C 1.852 179.541 177.584 0.175 0.000 1.195 413 A CA 2.171 54.282 52.037 0.124 0.000 0.622 413 A CB -0.844 18.201 19.000 0.075 0.000 0.831 413 A HN 0.411 nan 8.150 nan 0.000 0.444 414 D N 0.121 120.596 120.400 0.126 0.000 2.177 414 D HA -0.205 4.434 4.640 -0.001 0.000 0.189 414 D C 2.233 178.646 176.300 0.189 0.000 1.002 414 D CA 2.119 56.206 54.000 0.145 0.000 0.845 414 D CB -0.860 39.996 40.800 0.093 0.000 0.960 414 D HN 0.454 nan 8.370 nan 0.000 0.447 415 A N 0.855 123.756 122.820 0.134 0.000 1.903 415 A HA -0.179 4.141 4.320 -0.001 0.000 0.219 415 A C 2.320 179.974 177.584 0.116 0.000 1.191 415 A CA 3.236 55.337 52.037 0.108 0.000 0.638 415 A CB -1.025 18.018 19.000 0.071 0.000 0.823 415 A HN 0.300 nan 8.150 nan 0.000 0.451 416 A N -1.714 121.188 122.820 0.137 0.000 1.873 416 A HA -0.128 4.192 4.320 -0.001 0.000 0.215 416 A C 2.108 179.854 177.584 0.270 0.000 1.186 416 A CA 1.267 53.385 52.037 0.134 0.000 0.616 416 A CB -0.902 18.165 19.000 0.111 0.000 0.823 416 A HN 0.828 nan 8.150 nan 0.000 0.442 417 W N 1.226 122.644 121.300 0.197 0.000 2.315 417 W HA -0.246 4.414 4.660 -0.001 0.000 0.323 417 W C 2.489 179.118 176.519 0.184 0.000 1.233 417 W CA 2.898 60.435 57.345 0.320 0.000 1.267 417 W CB -0.572 29.016 29.460 0.213 0.000 1.160 417 W HN 0.302 nan 8.180 nan 0.000 0.474 418 K N 0.591 121.166 120.400 0.292 0.000 2.077 418 K HA -0.304 4.015 4.320 -0.001 0.000 0.213 418 K C 1.810 178.431 176.600 0.036 0.000 1.051 418 K CA 2.420 58.783 56.287 0.128 0.000 0.929 418 K CB -0.884 31.697 32.500 0.136 0.000 0.715 418 K HN 0.404 nan 8.250 nan 0.000 0.451 419 E N -0.566 119.663 120.200 0.048 0.000 2.285 419 E HA -0.035 4.315 4.350 -0.001 0.000 0.194 419 E C 1.611 178.242 176.600 0.052 0.000 0.997 419 E CA 1.477 57.888 56.400 0.019 0.000 0.845 419 E CB -0.397 29.268 29.700 -0.059 0.000 0.782 419 E HN 0.661 nan 8.360 nan 0.000 0.491 420 F N 0.237 120.121 119.950 -0.110 0.000 2.416 420 F HA 0.171 4.698 4.527 -0.001 0.000 0.296 420 F C 1.837 177.529 175.800 -0.180 0.000 1.099 420 F CA 0.513 58.440 58.000 -0.121 0.000 1.427 420 F CB -0.207 38.691 39.000 -0.169 0.000 1.079 420 F HN -0.054 nan 8.300 nan 0.000 0.536 421 Q N 1.042 120.465 119.800 -0.629 0.000 1.942 421 Q HA -0.188 4.151 4.340 -0.001 0.000 0.203 421 Q C 2.157 177.985 176.000 -0.286 0.000 0.987 421 Q CA 2.077 57.537 55.803 -0.572 0.000 0.844 421 Q CB -0.401 28.120 28.738 -0.361 0.000 0.911 421 Q HN 0.489 nan 8.270 nan 0.000 0.423 422 E N 0.348 120.458 120.200 -0.150 0.000 2.082 422 E HA -0.239 4.110 4.350 -0.001 0.000 0.215 422 E C 2.217 178.721 176.600 -0.161 0.000 1.048 422 E CA 1.522 57.860 56.400 -0.102 0.000 0.869 422 E CB -0.839 28.853 29.700 -0.013 0.000 0.773 422 E HN 0.165 nan 8.360 nan 0.000 0.466 423 V N 1.455 121.291 119.914 -0.130 0.000 2.277 423 V HA -0.277 3.842 4.120 -0.001 0.000 0.253 423 V C 2.367 178.410 176.094 -0.085 0.000 1.067 423 V CA 2.363 64.603 62.300 -0.100 0.000 1.047 423 V CB -0.470 31.457 31.823 0.172 0.000 0.649 423 V HN 0.330 nan 8.190 nan 0.000 0.447 424 E N -0.512 119.629 120.200 -0.098 0.000 2.478 424 E HA -0.028 4.321 4.350 -0.001 0.000 0.194 424 E C 2.075 178.609 176.600 -0.110 0.000 1.045 424 E CA 0.714 57.059 56.400 -0.092 0.000 0.868 424 E CB 0.075 29.695 29.700 -0.135 0.000 0.885 424 E HN 0.668 nan 8.360 nan 0.000 0.505 425 K N 0.589 120.912 120.400 -0.129 0.000 2.400 425 K HA 0.067 4.387 4.320 -0.001 0.000 0.194 425 K C 1.124 177.678 176.600 -0.076 0.000 1.033 425 K CA 0.673 56.900 56.287 -0.099 0.000 1.021 425 K CB -0.385 32.054 32.500 -0.102 0.000 0.808 425 K HN 0.195 nan 8.250 nan 0.000 0.505 426 L N -4.727 116.443 121.223 -0.088 0.000 2.783 426 L HA 0.744 5.084 4.340 -0.001 0.000 0.265 426 L C 0.926 177.760 176.870 -0.060 0.000 1.398 426 L CA -0.127 54.669 54.840 -0.074 0.000 0.802 426 L CB 0.430 42.431 42.059 -0.098 0.000 1.126 426 L HN 0.245 nan 8.230 nan 0.000 0.529 427 G N -0.743 108.034 108.800 -0.039 0.000 2.498 427 G HA2 0.076 4.036 3.960 -0.001 0.000 0.229 427 G HA3 0.076 4.036 3.960 -0.001 0.000 0.229 427 G C 0.771 175.668 174.900 -0.005 0.000 1.156 427 G CA -0.088 45.002 45.100 -0.016 0.000 0.680 427 G HN 1.725 nan 8.290 nan 0.000 0.512 428 G N -2.036 106.756 108.800 -0.014 0.000 2.236 428 G HA2 0.320 4.280 3.960 -0.001 0.000 0.231 428 G HA3 0.320 4.280 3.960 -0.001 0.000 0.231 428 G C 0.461 175.363 174.900 0.003 0.000 1.334 428 G CA 0.445 45.553 45.100 0.015 0.000 1.137 428 G HN 0.984 nan 8.290 nan 0.000 0.482 429 M N 0.948 120.544 119.600 -0.005 0.000 2.287 429 M HA 0.220 4.700 4.480 -0.001 0.000 0.266 429 M C 2.700 178.964 176.300 -0.060 0.000 1.079 429 M CA 2.359 57.619 55.300 -0.066 0.000 1.146 429 M CB -1.212 31.332 32.600 -0.094 0.000 1.374 429 M HN 0.553 nan 8.290 nan 0.000 0.435 430 S N -0.220 115.472 115.700 -0.014 0.000 2.354 430 S HA -0.192 4.277 4.470 -0.001 0.000 0.219 430 S C 2.102 176.698 174.600 -0.005 0.000 1.035 430 S CA 1.756 59.962 58.200 0.010 0.000 1.037 430 S CB -0.614 62.610 63.200 0.040 0.000 0.956 430 S HN 0.364 nan 8.310 nan 0.000 0.428 431 K N 1.371 121.770 120.400 -0.002 0.000 2.001 431 K HA -0.183 4.137 4.320 -0.001 0.000 0.223 431 K C 2.572 179.167 176.600 -0.008 0.000 1.055 431 K CA 1.304 57.589 56.287 -0.004 0.000 0.965 431 K CB -1.487 31.008 32.500 -0.009 0.000 0.730 431 K HN 0.522 nan 8.250 nan 0.000 0.449 432 A N 0.410 123.217 122.820 -0.022 0.000 1.882 432 A HA -0.252 4.068 4.320 -0.001 0.000 0.220 432 A C 2.404 179.968 177.584 -0.034 0.000 1.253 432 A CA 2.799 54.837 52.037 0.002 0.000 0.664 432 A CB -1.311 17.668 19.000 -0.035 0.000 0.838 432 A HN 0.281 nan 8.150 nan 0.000 0.460 433 V N -0.036 119.812 119.914 -0.110 0.000 2.215 433 V HA -0.431 3.689 4.120 -0.001 0.000 0.249 433 V C 2.685 178.755 176.094 -0.041 0.000 1.054 433 V CA 2.711 64.954 62.300 -0.094 0.000 1.012 433 V CB -0.879 30.897 31.823 -0.077 0.000 0.639 433 V HN 0.638 nan 8.190 nan 0.000 0.448 434 M N -0.701 118.885 119.600 -0.024 0.000 2.144 434 M HA -0.168 4.311 4.480 -0.001 0.000 0.260 434 M C 1.711 178.013 176.300 0.003 0.000 1.067 434 M CA 2.187 57.480 55.300 -0.010 0.000 1.095 434 M CB -0.627 31.972 32.600 -0.001 0.000 1.365 434 M HN 0.613 nan 8.290 nan 0.000 0.406 435 T N -0.001 114.564 114.554 0.019 0.000 3.440 435 T HA 0.226 4.576 4.350 -0.001 0.000 0.308 435 T C 0.566 175.293 174.700 0.045 0.000 1.249 435 T CA 0.756 62.877 62.100 0.035 0.000 0.903 435 T CB 0.596 69.493 68.868 0.049 0.000 2.240 435 T HN 0.304 nan 8.240 nan 0.000 0.546 436 E N -0.742 119.499 120.200 0.069 0.000 3.388 436 E HA 0.295 4.644 4.350 -0.001 0.000 0.214 436 E C 0.513 177.174 176.600 0.101 0.000 1.040 436 E CA -0.160 56.280 56.400 0.067 0.000 1.327 436 E CB -0.740 28.988 29.700 0.047 0.000 1.243 436 E HN 0.783 nan 8.360 nan 0.000 0.444 437 H N -0.672 118.433 119.070 0.057 0.000 2.418 437 H HA 0.136 4.691 4.556 -0.001 0.000 0.300 437 H C 1.998 177.443 175.328 0.194 0.000 1.041 437 H CA 1.805 57.922 56.048 0.116 0.000 1.364 437 H CB 0.523 30.355 29.762 0.118 0.000 1.439 437 H HN 0.275 nan 8.280 nan 0.000 0.540 438 V N 0.165 120.163 119.914 0.141 0.000 2.233 438 V HA -0.320 3.800 4.120 -0.001 0.000 0.247 438 V C 2.233 178.431 176.094 0.174 0.000 1.050 438 V CA 2.456 64.771 62.300 0.024 0.000 1.010 438 V CB -0.746 30.897 31.823 -0.300 0.000 0.637 438 V HN 0.614 nan 8.190 nan 0.000 0.444 439 T N -0.562 114.047 114.554 0.091 0.000 2.592 439 T HA -0.331 4.018 4.350 -0.001 0.000 0.267 439 T C 2.027 176.777 174.700 0.083 0.000 1.060 439 T CA 2.236 64.388 62.100 0.087 0.000 1.167 439 T CB -0.443 68.455 68.868 0.050 0.000 0.863 439 T HN 0.349 nan 8.240 nan 0.000 0.431 440 K N 0.228 120.652 120.400 0.039 0.000 2.034 440 K HA -0.153 4.166 4.320 -0.001 0.000 0.214 440 K C 2.549 179.153 176.600 0.006 0.000 1.051 440 K CA 1.500 57.786 56.287 -0.001 0.000 0.931 440 K CB -1.198 31.256 32.500 -0.077 0.000 0.715 440 K HN 0.385 nan 8.250 nan 0.000 0.446 441 V N 0.658 120.582 119.914 0.018 0.000 2.261 441 V HA -0.199 3.921 4.120 -0.001 0.000 0.246 441 V C 2.354 178.505 176.094 0.095 0.000 1.047 441 V CA 2.201 64.523 62.300 0.038 0.000 1.015 441 V CB -0.500 31.377 31.823 0.090 0.000 0.642 441 V HN 0.339 nan 8.190 nan 0.000 0.446 442 L N -0.187 121.161 121.223 0.208 0.000 2.376 442 L HA -0.107 4.233 4.340 -0.001 0.000 0.219 442 L C 1.929 178.869 176.870 0.118 0.000 1.133 442 L CA 1.073 56.026 54.840 0.188 0.000 0.816 442 L CB -0.504 41.718 42.059 0.272 0.000 0.933 442 L HN 0.323 nan 8.230 nan 0.000 0.449 443 D N -0.354 120.100 120.400 0.090 0.000 2.305 443 D HA 0.009 4.649 4.640 -0.001 0.000 0.206 443 D C 2.212 178.539 176.300 0.045 0.000 0.974 443 D CA 0.990 55.030 54.000 0.066 0.000 0.871 443 D CB 0.164 40.999 40.800 0.058 0.000 0.947 443 D HN 0.246 nan 8.370 nan 0.000 0.516 444 A N 0.224 123.066 122.820 0.036 0.000 1.898 444 A HA -0.143 4.176 4.320 -0.001 0.000 0.216 444 A C 2.246 179.843 177.584 0.021 0.000 1.181 444 A CA 1.170 53.219 52.037 0.021 0.000 0.620 444 A CB -0.682 18.323 19.000 0.008 0.000 0.819 444 A HN 0.394 nan 8.150 nan 0.000 0.442 445 C N -0.255 119.060 119.300 0.025 0.000 2.495 445 C HA 0.091 4.551 4.460 -0.001 0.000 0.275 445 C C 2.179 177.186 174.990 0.028 0.000 1.392 445 C CA 0.323 59.354 59.018 0.022 0.000 1.766 445 C CB -1.332 26.416 27.740 0.014 0.000 1.933 445 C HN 0.559 nan 8.230 nan 0.000 0.519 446 N N 1.404 120.127 118.700 0.037 0.000 2.463 446 N HA 0.054 4.794 4.740 -0.001 0.000 0.181 446 N C 1.730 177.254 175.510 0.024 0.000 1.078 446 N CA 1.087 54.158 53.050 0.036 0.000 0.902 446 N CB -0.016 38.506 38.487 0.059 0.000 0.970 446 N HN 0.603 nan 8.380 nan 0.000 0.451 447 A N 0.615 123.448 122.820 0.023 0.000 1.935 447 A HA -0.039 4.280 4.320 -0.001 0.000 0.214 447 A C 2.151 179.744 177.584 0.015 0.000 1.178 447 A CA 0.946 52.992 52.037 0.016 0.000 0.640 447 A CB -0.172 18.838 19.000 0.017 0.000 0.825 447 A HN 0.117 nan 8.150 nan 0.000 0.447 448 E N 0.144 120.355 120.200 0.020 0.000 2.072 448 E HA -0.106 4.244 4.350 -0.001 0.000 0.190 448 E C 2.141 178.758 176.600 0.028 0.000 0.982 448 E CA 1.248 57.662 56.400 0.024 0.000 0.803 448 E CB -0.209 29.506 29.700 0.025 0.000 0.755 448 E HN 0.515 nan 8.360 nan 0.000 0.453 449 R N -0.485 120.031 120.500 0.026 0.000 2.092 449 R HA -0.016 4.324 4.340 -0.001 0.000 0.231 449 R C 2.155 178.469 176.300 0.023 0.000 1.119 449 R CA 1.168 57.286 56.100 0.030 0.000 0.970 449 R CB -0.286 30.028 30.300 0.023 0.000 0.864 449 R HN 0.233 nan 8.270 nan 0.000 0.440 450 A N 1.286 124.109 122.820 0.005 0.000 1.877 450 A HA -0.205 4.115 4.320 -0.001 0.000 0.216 450 A C 2.052 179.632 177.584 -0.007 0.000 1.186 450 A CA 1.481 53.508 52.037 -0.018 0.000 0.620 450 A CB -0.520 18.459 19.000 -0.034 0.000 0.822 450 A HN 0.233 nan 8.150 nan 0.000 0.443 451 K N -0.306 120.098 120.400 0.006 0.000 2.097 451 K HA -0.151 4.168 4.320 -0.001 0.000 0.206 451 K C 2.143 178.762 176.600 0.031 0.000 1.049 451 K CA 1.593 57.889 56.287 0.016 0.000 0.933 451 K CB -0.129 32.382 32.500 0.018 0.000 0.717 451 K HN 0.463 nan 8.250 nan 0.000 0.442 452 R N 0.068 120.593 120.500 0.042 0.000 2.193 452 R HA 0.042 4.382 4.340 -0.001 0.000 0.213 452 R C 2.219 178.564 176.300 0.075 0.000 1.055 452 R CA 0.545 56.678 56.100 0.055 0.000 0.995 452 R CB -0.043 30.294 30.300 0.061 0.000 0.893 452 R HN 0.145 nan 8.270 nan 0.000 0.459 453 L N -0.479 120.798 121.223 0.090 0.000 2.240 453 L HA 0.086 4.426 4.340 -0.001 0.000 0.211 453 L C 2.331 179.324 176.870 0.205 0.000 1.106 453 L CA 0.857 55.805 54.840 0.179 0.000 0.793 453 L CB -0.262 41.913 42.059 0.193 0.000 0.927 453 L HN 0.163 nan 8.230 nan 0.000 0.446 454 A N 1.075 123.940 122.820 0.074 0.000 2.021 454 A HA -0.087 4.233 4.320 -0.001 0.000 0.216 454 A C 1.859 179.464 177.584 0.036 0.000 1.163 454 A CA 1.263 53.323 52.037 0.038 0.000 0.676 454 A CB -0.382 18.601 19.000 -0.028 0.000 0.818 454 A HN 0.582 nan 8.150 nan 0.000 0.453 455 N N -1.726 116.991 118.700 0.029 0.000 2.254 455 N HA 0.056 4.795 4.740 -0.001 0.000 0.190 455 N C 0.355 175.867 175.510 0.004 0.000 1.107 455 N CA 0.255 53.306 53.050 0.003 0.000 0.869 455 N CB -0.080 38.416 38.487 0.015 0.000 0.983 455 N HN 0.385 nan 8.380 nan 0.000 0.487 456 R N -1.634 118.881 120.500 0.025 0.000 3.515 456 R HA -0.118 4.221 4.340 -0.001 0.000 0.292 456 R C -0.160 176.146 176.300 0.009 0.000 1.148 456 R CA 0.594 56.694 56.100 0.000 0.000 0.786 456 R CB -2.130 28.133 30.300 -0.061 0.000 1.327 456 R HN 0.077 nan 8.270 nan 0.000 0.454 457 K N 0.254 120.674 120.400 0.032 0.000 2.367 457 K HA 0.104 4.423 4.320 -0.001 0.000 0.194 457 K C 0.522 177.149 176.600 0.046 0.000 1.027 457 K CA 0.653 56.964 56.287 0.040 0.000 1.075 457 K CB 0.703 33.233 32.500 0.049 0.000 0.845 457 K HN 0.358 nan 8.250 nan 0.000 0.529 458 Q N 0.997 120.827 119.800 0.050 0.000 2.932 458 Q HA 0.248 4.588 4.340 -0.001 0.000 0.248 458 Q C -2.792 173.235 176.000 0.045 0.000 0.982 458 Q CA -2.312 53.527 55.803 0.060 0.000 0.730 458 Q CB 1.458 30.249 28.738 0.088 0.000 1.249 458 Q HN 0.122 nan 8.270 nan 0.000 0.476 459 P HA 0.159 nan 4.420 nan 0.000 0.274 459 P C -0.751 176.529 177.300 -0.034 0.000 1.260 459 P CA -0.455 62.615 63.100 -0.050 0.000 0.793 459 P CB 1.019 32.680 31.700 -0.065 0.000 1.048 460 I N 0.326 120.834 120.570 -0.104 0.000 2.529 460 I HA 0.147 4.317 4.170 -0.001 0.000 0.284 460 I C -0.794 175.264 176.117 -0.099 0.000 1.088 460 I CA -0.486 60.771 61.300 -0.072 0.000 1.062 460 I CB 0.989 38.933 38.000 -0.094 0.000 1.218 460 I HN 0.199 nan 8.210 nan 0.000 0.442 461 T N 7.353 121.888 114.554 -0.031 0.000 2.831 461 T HA 0.357 4.707 4.350 -0.001 0.000 0.291 461 T C 1.177 175.865 174.700 -0.020 0.000 0.981 461 T CA 0.894 62.988 62.100 -0.011 0.000 1.174 461 T CB 0.409 69.287 68.868 0.017 0.000 0.929 461 T HN 1.174 nan 8.240 nan 0.000 0.532 462 A N 2.535 125.345 122.820 -0.016 0.000 3.601 462 A HA -0.193 4.127 4.320 -0.001 0.000 0.266 462 A C 1.436 178.987 177.584 -0.056 0.000 1.077 462 A CA 1.384 53.415 52.037 -0.009 0.000 1.228 462 A CB -2.183 16.828 19.000 0.018 0.000 1.099 462 A HN 0.642 nan 8.150 nan 0.000 0.916 463 V N -0.076 119.758 119.914 -0.134 0.000 2.695 463 V HA 0.073 4.193 4.120 -0.001 0.000 0.230 463 V C 2.427 178.269 176.094 -0.419 0.000 1.110 463 V CA 1.931 64.103 62.300 -0.213 0.000 1.159 463 V CB 0.085 31.782 31.823 -0.210 0.000 0.875 463 V HN 1.267 nan 8.190 nan 0.000 0.502 464 S N -0.986 114.317 115.700 -0.661 0.000 2.575 464 S HA 0.145 4.614 4.470 -0.001 0.000 0.215 464 S C 0.382 174.712 174.600 -0.451 0.000 0.966 464 S CA 0.094 57.877 58.200 -0.694 0.000 0.911 464 S CB -0.001 62.592 63.200 -1.012 0.000 0.780 464 S HN 0.454 nan 8.310 nan 0.000 0.514 465 E N 0.976 120.963 120.200 -0.355 0.000 2.260 465 E HA 0.412 4.761 4.350 -0.001 0.000 0.266 465 E C -0.958 175.494 176.600 -0.246 0.000 0.887 465 E CA -1.081 55.066 56.400 -0.422 0.000 0.777 465 E CB 1.031 30.564 29.700 -0.278 0.000 1.205 465 E HN 0.259 nan 8.360 nan 0.000 0.414 466 F N 0.831 120.712 119.950 -0.115 0.000 2.594 466 F HA -0.220 4.306 4.527 -0.001 0.000 0.208 466 F C -1.806 173.973 175.800 -0.036 0.000 1.032 466 F CA -0.082 57.879 58.000 -0.066 0.000 0.877 466 F CB -1.520 37.451 39.000 -0.049 0.000 0.814 466 F HN 0.187 nan 8.300 nan 0.000 0.844 467 P HA 0.291 nan 4.420 nan 0.000 0.274 467 P C -0.078 177.268 177.300 0.077 0.000 1.231 467 P CA -0.481 62.651 63.100 0.053 0.000 0.790 467 P CB 0.986 32.701 31.700 0.026 0.000 0.951 468 M N 2.561 122.179 119.600 0.029 0.000 2.227 468 M HA 0.358 4.837 4.480 -0.001 0.000 0.335 468 M C -0.675 175.597 176.300 -0.047 0.000 1.053 468 M CA -0.951 54.341 55.300 -0.013 0.000 0.973 468 M CB 0.757 33.354 32.600 -0.005 0.000 1.623 468 M HN 0.228 nan 8.290 nan 0.000 0.434 469 I N 4.091 124.590 120.570 -0.119 0.000 2.533 469 I HA 0.165 4.335 4.170 -0.001 0.000 0.284 469 I C 1.180 177.264 176.117 -0.056 0.000 1.109 469 I CA 1.031 62.272 61.300 -0.099 0.000 1.412 469 I CB 0.664 38.566 38.000 -0.163 0.000 1.396 469 I HN 1.020 nan 8.210 nan 0.000 0.543 470 G N 4.405 113.192 108.800 -0.023 0.000 2.132 470 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.228 470 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.228 470 G C 0.352 175.253 174.900 0.002 0.000 1.000 470 G CA -0.222 44.873 45.100 -0.008 0.000 0.693 470 G HN 1.020 nan 8.290 nan 0.000 0.515 471 A N 0.166 122.992 122.820 0.010 0.000 2.546 471 A HA 0.523 4.842 4.320 -0.001 0.000 0.243 471 A C 1.087 178.693 177.584 0.037 0.000 1.063 471 A CA 0.644 52.692 52.037 0.018 0.000 0.757 471 A CB 0.124 19.144 19.000 0.032 0.000 0.991 471 A HN 0.783 nan 8.150 nan 0.000 0.503 472 R N 1.590 122.099 120.500 0.015 0.000 2.478 472 R HA 0.086 4.425 4.340 -0.001 0.000 0.281 472 R C 0.495 176.873 176.300 0.131 0.000 0.939 472 R CA 1.106 57.221 56.100 0.025 0.000 1.120 472 R CB 0.139 30.391 30.300 -0.080 0.000 0.885 472 R HN 0.843 nan 8.270 nan 0.000 0.415 473 S N 2.296 118.091 115.700 0.158 0.000 2.823 473 S HA 0.727 5.197 4.470 -0.001 0.000 0.316 473 S C -1.196 173.581 174.600 0.295 0.000 1.116 473 S CA -0.906 57.431 58.200 0.229 0.000 0.911 473 S CB 1.092 64.376 63.200 0.140 0.000 1.276 473 S HN 0.464 nan 8.310 nan 0.000 0.565 474 I N 1.005 121.715 120.570 0.234 0.000 2.802 474 I HA 0.478 4.647 4.170 -0.001 0.000 0.298 474 I C -1.300 174.850 176.117 0.056 0.000 1.176 474 I CA -0.393 61.014 61.300 0.178 0.000 1.025 474 I CB 2.115 40.233 38.000 0.198 0.000 1.243 474 I HN 0.569 nan 8.210 nan 0.000 0.424 475 E N 4.597 124.813 120.200 0.026 0.000 2.283 475 E HA 0.484 4.834 4.350 -0.001 0.000 0.278 475 E C -0.754 175.806 176.600 -0.067 0.000 1.027 475 E CA -0.193 56.197 56.400 -0.017 0.000 0.843 475 E CB 1.254 30.946 29.700 -0.013 0.000 1.062 475 E HN 0.673 nan 8.360 nan 0.000 0.401 476 T N -0.547 113.949 114.554 -0.096 0.000 2.883 476 T HA 0.408 4.758 4.350 -0.001 0.000 0.296 476 T C -0.177 174.425 174.700 -0.164 0.000 1.117 476 T CA -1.182 60.826 62.100 -0.154 0.000 1.006 476 T CB 1.596 70.342 68.868 -0.203 0.000 1.191 476 T HN 0.125 nan 8.240 nan 0.000 0.508 477 K N 2.242 122.514 120.400 -0.215 0.000 2.310 477 K HA 0.304 4.624 4.320 -0.001 0.000 0.290 477 K C -2.584 173.885 176.600 -0.218 0.000 1.077 477 K CA -1.712 54.454 56.287 -0.202 0.000 0.922 477 K CB 0.381 32.744 32.500 -0.229 0.000 1.057 477 K HN 0.386 nan 8.250 nan 0.000 0.479 478 P HA -0.104 nan 4.420 nan 0.000 0.261 478 P C -0.464 176.816 177.300 -0.034 0.000 1.173 478 P CA 0.213 63.267 63.100 -0.075 0.000 0.760 478 P CB 0.165 31.857 31.700 -0.014 0.000 0.783 479 F N 4.979 124.939 119.950 0.017 0.000 2.533 479 F HA 0.133 4.659 4.527 -0.001 0.000 0.378 479 F C -1.051 174.755 175.800 0.010 0.000 1.070 479 F CA -1.764 56.249 58.000 0.022 0.000 1.172 479 F CB -0.987 38.043 39.000 0.050 0.000 1.085 479 F HN 0.250 nan 8.300 nan 0.000 0.552 480 P HA 0.078 nan 4.420 nan 0.000 0.262 480 P C -0.547 176.792 177.300 0.064 0.000 1.182 480 P CA -0.238 62.920 63.100 0.098 0.000 0.761 480 P CB 0.298 32.035 31.700 0.061 0.000 0.795 481 A N 2.819 125.657 122.820 0.030 0.000 2.561 481 A HA 0.409 4.729 4.320 -0.001 0.000 0.234 481 A C 0.491 178.043 177.584 -0.052 0.000 1.055 481 A CA 0.542 52.580 52.037 0.001 0.000 0.756 481 A CB -0.353 18.643 19.000 -0.007 0.000 0.986 481 A HN 0.666 nan 8.150 nan 0.000 0.505 482 A N 3.786 126.564 122.820 -0.071 0.000 2.365 482 A HA 0.773 5.092 4.320 -0.001 0.000 0.318 482 A C -2.385 175.109 177.584 -0.150 0.000 1.091 482 A CA -1.688 50.254 52.037 -0.158 0.000 0.763 482 A CB 0.249 19.197 19.000 -0.087 0.000 1.248 482 A HN 0.742 nan 8.150 nan 0.000 0.442 483 P HA 0.242 nan 4.420 nan 0.000 0.266 483 P C 0.014 177.324 177.300 0.017 0.000 1.180 483 P CA 0.327 63.306 63.100 -0.203 0.000 0.765 483 P CB 0.337 31.817 31.700 -0.368 0.000 0.806 484 A N 3.850 126.672 122.820 0.005 0.000 2.388 484 A HA 0.457 4.776 4.320 -0.001 0.000 0.257 484 A C 0.343 177.932 177.584 0.008 0.000 1.095 484 A CA -0.279 51.761 52.037 0.006 0.000 0.791 484 A CB 0.246 19.238 19.000 -0.013 0.000 1.029 484 A HN 0.536 nan 8.150 nan 0.000 0.489 485 R N 0.591 121.061 120.500 -0.050 0.000 2.807 485 R HA 0.597 4.936 4.340 -0.001 0.000 0.276 485 R C 0.862 177.091 176.300 -0.117 0.000 0.979 485 R CA -0.160 55.871 56.100 -0.115 0.000 0.928 485 R CB 1.626 31.782 30.300 -0.239 0.000 1.191 485 R HN 0.665 nan 8.270 nan 0.000 0.471 486 K N 1.339 121.664 120.400 -0.125 0.000 2.166 486 K HA 0.121 4.440 4.320 -0.001 0.000 0.201 486 K C 1.171 177.709 176.600 -0.104 0.000 1.052 486 K CA 1.147 57.377 56.287 -0.096 0.000 0.969 486 K CB -0.437 32.013 32.500 -0.084 0.000 0.761 486 K HN 0.737 nan 8.250 nan 0.000 0.459 487 G N 0.413 109.123 108.800 -0.150 0.000 2.608 487 G HA2 0.338 4.297 3.960 -0.001 0.000 0.212 487 G HA3 0.338 4.297 3.960 -0.001 0.000 0.212 487 G C 0.265 175.083 174.900 -0.137 0.000 1.572 487 G CA -0.304 44.708 45.100 -0.146 0.000 1.064 487 G HN 0.422 nan 8.290 nan 0.000 0.556 488 L N 1.284 122.419 121.223 -0.146 0.000 2.780 488 L HA 0.204 4.544 4.340 -0.001 0.000 0.275 488 L C 1.117 177.914 176.870 -0.122 0.000 1.153 488 L CA -0.389 54.400 54.840 -0.084 0.000 0.993 488 L CB -0.583 41.444 42.059 -0.054 0.000 1.319 488 L HN 0.452 nan 8.230 nan 0.000 0.479 489 A N 4.830 127.630 122.820 -0.035 0.000 2.388 489 A HA 0.347 4.666 4.320 -0.001 0.000 0.257 489 A C -0.893 176.729 177.584 0.063 0.000 1.095 489 A CA -0.325 51.662 52.037 -0.084 0.000 0.791 489 A CB 0.250 19.201 19.000 -0.082 0.000 1.029 489 A HN 0.649 nan 8.150 nan 0.000 0.489 490 W N 2.427 123.567 121.300 -0.267 0.000 2.296 490 W HA 0.392 5.051 4.660 -0.001 0.000 0.316 490 W C -0.371 176.125 176.519 -0.039 0.000 1.022 490 W CA -0.379 56.916 57.345 -0.083 0.000 1.324 490 W CB 0.472 29.841 29.460 -0.151 0.000 1.227 490 W HN 0.581 nan 8.180 nan 0.000 0.409 491 H N 3.060 122.384 119.070 0.423 0.000 2.481 491 H HA 0.415 4.971 4.556 -0.001 0.000 0.333 491 H C 0.725 176.054 175.328 0.003 0.000 1.066 491 H CA -0.664 55.519 56.048 0.224 0.000 1.209 491 H CB 1.528 31.362 29.762 0.120 0.000 1.445 491 H HN 0.183 nan 8.280 nan 0.000 0.488 492 R N 1.018 121.462 120.500 -0.093 0.000 2.822 492 R HA -0.013 4.327 4.340 -0.001 0.000 0.277 492 R C 0.291 176.500 176.300 -0.152 0.000 1.102 492 R CA -0.200 55.669 56.100 -0.384 0.000 1.207 492 R CB 0.577 30.539 30.300 -0.563 0.000 1.139 492 R HN 0.590 nan 8.270 nan 0.000 0.557 493 D N -0.610 119.700 120.400 -0.151 0.000 2.346 493 D HA -0.048 4.592 4.640 -0.001 0.000 0.206 493 D C 1.061 177.385 176.300 0.040 0.000 1.001 493 D CA 0.874 54.847 54.000 -0.045 0.000 0.871 493 D CB 0.206 40.990 40.800 -0.027 0.000 0.943 493 D HN 0.444 nan 8.370 nan 0.000 0.518 494 S N -0.497 115.228 115.700 0.041 0.000 2.614 494 S HA 0.166 4.636 4.470 -0.001 0.000 0.230 494 S C 1.313 175.982 174.600 0.116 0.000 0.952 494 S CA -0.334 57.979 58.200 0.188 0.000 0.949 494 S CB 0.332 63.607 63.200 0.125 0.000 0.786 494 S HN 0.021 nan 8.310 nan 0.000 0.478 495 E N 0.831 121.025 120.200 -0.009 0.000 2.107 495 E HA -0.046 4.303 4.350 -0.001 0.000 0.191 495 E C 1.922 178.448 176.600 -0.124 0.000 0.982 495 E CA 0.878 57.251 56.400 -0.045 0.000 0.809 495 E CB -0.130 29.539 29.700 -0.053 0.000 0.756 495 E HN 0.423 nan 8.360 nan 0.000 0.459 496 V N 0.251 119.994 119.914 -0.285 0.000 2.490 496 V HA -0.224 3.896 4.120 -0.001 0.000 0.250 496 V C 1.409 177.219 176.094 -0.473 0.000 1.061 496 V CA 1.649 63.692 62.300 -0.429 0.000 1.064 496 V CB -0.308 31.188 31.823 -0.545 0.000 0.670 496 V HN 0.243 nan 8.190 nan 0.000 0.461 497 F N 0.072 120.004 119.950 -0.030 0.000 2.416 497 F HA 0.152 4.678 4.527 -0.001 0.000 0.296 497 F C 2.274 178.069 175.800 -0.009 0.000 1.099 497 F CA 0.967 58.953 58.000 -0.023 0.000 1.427 497 F CB -0.553 38.429 39.000 -0.031 0.000 1.079 497 F HN 0.147 nan 8.300 nan 0.000 0.536 498 E N 0.667 120.946 120.200 0.132 0.000 2.031 498 E HA -0.225 4.125 4.350 -0.001 0.000 0.193 498 E C 2.132 178.762 176.600 0.051 0.000 0.994 498 E CA 1.386 57.838 56.400 0.087 0.000 0.800 498 E CB -0.176 29.564 29.700 0.067 0.000 0.752 498 E HN 0.462 nan 8.360 nan 0.000 0.447 499 Q N -0.140 119.668 119.800 0.012 0.000 2.181 499 Q HA -0.159 4.180 4.340 -0.001 0.000 0.205 499 Q C 2.037 178.041 176.000 0.008 0.000 0.980 499 Q CA 0.983 56.785 55.803 -0.003 0.000 0.862 499 Q CB -0.003 28.708 28.738 -0.045 0.000 0.905 499 Q HN 0.297 nan 8.270 nan 0.000 0.429 500 L N -0.621 120.613 121.223 0.018 0.000 2.446 500 L HA -0.014 4.325 4.340 -0.001 0.000 0.219 500 L C 2.167 179.075 176.870 0.064 0.000 1.116 500 L CA 0.161 55.025 54.840 0.040 0.000 0.844 500 L CB -0.055 42.032 42.059 0.046 0.000 0.970 500 L HN 0.291 nan 8.230 nan 0.000 0.457 501 M N -0.612 119.031 119.600 0.072 0.000 2.236 501 M HA -0.132 4.348 4.480 -0.001 0.000 0.266 501 M C 1.541 177.873 176.300 0.053 0.000 1.070 501 M CA 1.446 56.788 55.300 0.069 0.000 1.137 501 M CB -0.556 32.089 32.600 0.076 0.000 1.378 501 M HN 0.180 nan 8.290 nan 0.000 0.426 502 D N -0.101 120.327 120.400 0.046 0.000 2.144 502 D HA -0.092 4.548 4.640 -0.001 0.000 0.200 502 D C 2.119 178.440 176.300 0.033 0.000 0.978 502 D CA 0.961 54.984 54.000 0.039 0.000 0.833 502 D CB -0.161 40.661 40.800 0.036 0.000 0.961 502 D HN 0.312 nan 8.370 nan 0.000 0.470 503 R N 0.341 120.861 120.500 0.033 0.000 2.081 503 R HA -0.028 4.312 4.340 -0.001 0.000 0.235 503 R C 2.217 178.536 176.300 0.033 0.000 1.131 503 R CA 1.262 57.380 56.100 0.031 0.000 0.960 503 R CB -0.143 30.176 30.300 0.032 0.000 0.856 503 R HN 0.063 nan 8.270 nan 0.000 0.436 504 S N -0.147 115.576 115.700 0.038 0.000 2.489 504 S HA -0.059 4.410 4.470 -0.001 0.000 0.228 504 S C 1.797 176.414 174.600 0.028 0.000 0.995 504 S CA 1.384 59.605 58.200 0.035 0.000 0.934 504 S CB 0.064 63.291 63.200 0.045 0.000 0.771 504 S HN 0.501 nan 8.310 nan 0.000 0.522 505 T N 0.812 115.384 114.554 0.029 0.000 3.035 505 T HA -0.017 4.333 4.350 -0.001 0.000 0.259 505 T C 2.126 176.838 174.700 0.020 0.000 1.078 505 T CA 0.857 62.971 62.100 0.025 0.000 1.132 505 T CB -0.523 68.362 68.868 0.028 0.000 0.900 505 T HN 0.486 nan 8.240 nan 0.000 0.480 506 S N 1.696 117.409 115.700 0.021 0.000 2.359 506 S HA -0.083 4.387 4.470 -0.001 0.000 0.223 506 S C 1.171 175.780 174.600 0.014 0.000 1.039 506 S CA 0.676 58.887 58.200 0.018 0.000 1.042 506 S CB -1.249 61.962 63.200 0.019 0.000 0.915 506 S HN 0.476 nan 8.310 nan 0.000 0.439 507 V N 2.490 122.412 119.914 0.013 0.000 2.924 507 V HA 0.290 4.409 4.120 -0.001 0.000 0.305 507 V C 1.614 177.712 176.094 0.007 0.000 1.073 507 V CA 0.404 62.709 62.300 0.009 0.000 1.098 507 V CB 1.222 33.050 31.823 0.008 0.000 1.000 507 V HN 0.707 nan 8.190 nan 0.000 0.484 508 S N 2.813 118.515 115.700 0.004 0.000 2.377 508 S HA 0.083 4.553 4.470 -0.001 0.000 0.223 508 S C 0.853 175.454 174.600 0.001 0.000 1.030 508 S CA 0.809 59.011 58.200 0.003 0.000 0.970 508 S CB -0.559 62.642 63.200 0.002 0.000 0.830 508 S HN 1.355 nan 8.310 nan 0.000 0.473 509 E N 1.556 121.755 120.200 -0.002 0.000 2.259 509 E HA 0.614 4.964 4.350 -0.001 0.000 0.281 509 E C -0.049 176.550 176.600 -0.002 0.000 1.027 509 E CA -0.375 56.022 56.400 -0.004 0.000 0.838 509 E CB -0.127 nan 29.700 nan 0.000 1.066 509 E HN 0.866 nan 8.360 nan 0.000 0.401 510 R N 3.486 123.985 120.500 -0.001 0.000 2.389 510 R HA 0.510 4.849 4.340 -0.001 0.000 0.295 510 R C -2.002 174.296 176.300 -0.003 0.000 1.075 510 R CA -1.209 54.892 56.100 0.003 0.000 1.005 510 R CB -0.861 29.442 30.300 0.006 0.000 0.987 510 R HN 0.681 nan 8.270 nan 0.000 0.452 511 P HA 0.192 nan 4.420 nan 0.000 0.269 511 P C -0.347 176.935 177.300 -0.031 0.000 1.185 511 P CA 0.593 63.684 63.100 -0.016 0.000 0.769 511 P CB 0.374 32.070 31.700 -0.006 0.000 0.809 512 K N 0.294 120.656 120.400 -0.062 0.000 2.482 512 K HA 0.719 5.039 4.320 -0.001 0.000 0.257 512 K C -1.360 175.148 176.600 -0.154 0.000 0.969 512 K CA -0.685 55.556 56.287 -0.076 0.000 0.842 512 K CB 1.836 34.315 32.500 -0.035 0.000 1.359 512 K HN 0.285 nan 8.250 nan 0.000 0.441 513 V N 2.280 122.066 119.914 -0.213 0.000 2.567 513 V HA 0.488 4.608 4.120 -0.001 0.000 0.298 513 V C -1.275 174.757 176.094 -0.103 0.000 1.047 513 V CA -0.867 61.221 62.300 -0.354 0.000 0.880 513 V CB 1.154 32.325 31.823 -1.086 0.000 1.009 513 V HN 0.869 nan 8.190 nan 0.000 0.429 514 F N 6.399 126.334 119.950 -0.025 0.000 2.420 514 F HA 0.614 5.141 4.527 -0.001 0.000 0.352 514 F C -0.219 175.615 175.800 0.058 0.000 1.108 514 F CA -0.380 57.669 58.000 0.083 0.000 1.162 514 F CB 0.759 39.958 39.000 0.331 0.000 1.118 514 F HN 0.351 nan 8.300 nan 0.000 0.510 515 L N 7.362 128.254 121.223 -0.551 0.000 2.257 515 L HA 0.495 4.834 4.340 -0.001 0.000 0.290 515 L C 0.101 176.611 176.870 -0.601 0.000 1.044 515 L CA -1.007 53.629 54.840 -0.341 0.000 0.810 515 L CB 1.056 43.016 42.059 -0.166 0.000 1.193 515 L HN 0.778 nan 8.230 nan 0.000 0.425 516 A N 3.287 125.988 122.820 -0.197 0.000 2.527 516 A HA 0.327 4.646 4.320 -0.001 0.000 0.313 516 A C 0.028 177.541 177.584 -0.118 0.000 1.410 516 A CA -0.331 51.692 52.037 -0.023 0.000 1.060 516 A CB -0.323 18.803 19.000 0.209 0.000 1.137 516 A HN 0.812 nan 8.150 nan 0.000 0.542 517 C N 3.981 123.084 119.300 -0.327 0.000 2.289 517 C HA 0.336 4.795 4.460 -0.001 0.000 0.340 517 C C 0.509 175.278 174.990 -0.369 0.000 1.152 517 C CA -0.343 58.327 59.018 -0.581 0.000 1.650 517 C CB -1.453 25.428 27.740 -1.431 0.000 2.203 517 C HN 0.724 nan 8.230 nan 0.000 0.511 518 L N 4.568 125.721 121.223 -0.117 0.000 2.385 518 L HA 0.513 4.852 4.340 -0.001 0.000 0.281 518 L C 1.115 178.032 176.870 0.080 0.000 1.106 518 L CA 1.639 56.481 54.840 0.004 0.000 0.856 518 L CB -0.307 41.776 42.059 0.040 0.000 1.186 518 L HN 1.050 nan 8.230 nan 0.000 0.453 519 G N 2.338 111.196 108.800 0.096 0.000 2.796 519 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.226 519 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.226 519 G C -0.020 175.020 174.900 0.234 0.000 1.381 519 G CA -0.567 44.610 45.100 0.128 0.000 0.867 519 G HN 0.832 nan 8.290 nan 0.000 0.552 520 T N -1.230 113.414 114.554 0.150 0.000 2.848 520 T HA 0.159 4.508 4.350 -0.001 0.000 0.340 520 T C 1.564 176.262 174.700 -0.003 0.000 1.091 520 T CA 0.991 63.158 62.100 0.111 0.000 1.123 520 T CB 0.565 69.445 68.868 0.021 0.000 1.042 520 T HN 1.019 nan 8.240 nan 0.000 0.544 521 R N 1.346 121.739 120.500 -0.178 0.000 2.139 521 R HA -0.118 4.221 4.340 -0.001 0.000 0.243 521 R C 2.867 178.798 176.300 -0.615 0.000 1.145 521 R CA 2.227 57.954 56.100 -0.622 0.000 0.976 521 R CB -0.942 29.174 30.300 -0.306 0.000 0.866 521 R HN 0.786 nan 8.270 nan 0.000 0.449 522 R N -0.629 119.684 120.500 -0.312 0.000 2.276 522 R HA 0.115 4.455 4.340 -0.001 0.000 0.196 522 R C 1.934 178.126 176.300 -0.179 0.000 0.961 522 R CA 1.666 57.633 56.100 -0.222 0.000 1.024 522 R CB -1.536 28.685 30.300 -0.133 0.000 0.940 522 R HN 0.691 nan 8.270 nan 0.000 0.480 523 D N 0.151 120.453 120.400 -0.163 0.000 2.197 523 D HA 0.050 4.690 4.640 -0.001 0.000 0.212 523 D C 1.706 177.970 176.300 -0.060 0.000 0.963 523 D CA 1.213 55.157 54.000 -0.094 0.000 0.864 523 D CB -0.369 40.409 40.800 -0.037 0.000 1.009 523 D HN 0.695 nan 8.370 nan 0.000 0.479 524 F N 0.046 119.948 119.950 -0.079 0.000 2.335 524 F HA 0.310 4.837 4.527 -0.001 0.000 0.296 524 F C 2.408 178.182 175.800 -0.043 0.000 1.091 524 F CA 0.697 58.650 58.000 -0.077 0.000 1.399 524 F CB -0.706 38.261 39.000 -0.055 0.000 1.067 524 F HN 0.165 nan 8.300 nan 0.000 0.520 525 G N 1.360 109.965 108.800 -0.324 0.000 2.869 525 G HA2 -0.418 3.541 3.960 -0.001 0.000 0.236 525 G HA3 -0.418 3.541 3.960 -0.001 0.000 0.236 525 G C 1.858 176.756 174.900 -0.002 0.000 1.134 525 G CA 1.613 46.599 45.100 -0.191 0.000 0.748 525 G HN 0.710 nan 8.290 nan 0.000 0.644 526 G N -0.583 108.220 108.800 0.006 0.000 2.484 526 G HA2 0.027 3.987 3.960 -0.001 0.000 0.218 526 G HA3 0.027 3.987 3.960 -0.001 0.000 0.218 526 G C 1.963 176.924 174.900 0.103 0.000 1.130 526 G CA 1.041 46.170 45.100 0.048 0.000 0.784 526 G HN 0.453 nan 8.290 nan 0.000 0.543 527 R N -0.073 120.492 120.500 0.109 0.000 2.112 527 R HA 0.162 4.502 4.340 -0.001 0.000 0.216 527 R C 2.353 178.766 176.300 0.190 0.000 1.080 527 R CA 0.651 56.840 56.100 0.147 0.000 0.996 527 R CB -0.242 30.122 30.300 0.107 0.000 0.902 527 R HN 0.299 nan 8.270 nan 0.000 0.449 528 E N -0.072 120.256 120.200 0.213 0.000 2.077 528 E HA -0.136 4.214 4.350 -0.001 0.000 0.193 528 E C 1.765 178.454 176.600 0.150 0.000 0.989 528 E CA 1.533 58.052 56.400 0.199 0.000 0.800 528 E CB -0.194 29.697 29.700 0.318 0.000 0.746 528 E HN 0.419 nan 8.360 nan 0.000 0.452 529 G N -0.121 108.771 108.800 0.154 0.000 2.470 529 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.220 529 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.220 529 G C 1.319 176.313 174.900 0.156 0.000 1.121 529 G CA 0.580 45.768 45.100 0.147 0.000 0.766 529 G HN 0.353 nan 8.290 nan 0.000 0.553 530 F N 1.013 120.977 119.950 0.024 0.000 2.530 530 F HA 0.204 4.730 4.527 -0.001 0.000 0.292 530 F C 2.573 178.305 175.800 -0.114 0.000 1.109 530 F CA 1.090 59.066 58.000 -0.040 0.000 1.450 530 F CB 0.433 39.416 39.000 -0.029 0.000 1.114 530 F HN 0.105 nan 8.300 nan 0.000 0.560 531 S N -0.545 115.155 115.700 0.001 0.000 2.387 531 S HA -0.091 4.379 4.470 -0.001 0.000 0.221 531 S C 2.061 176.552 174.600 -0.183 0.000 1.041 531 S CA 1.011 59.157 58.200 -0.091 0.000 0.959 531 S CB -0.381 62.888 63.200 0.114 0.000 0.843 531 S HN 0.314 nan 8.310 nan 0.000 0.488 532 S N 2.835 118.463 115.700 -0.119 0.000 2.368 532 S HA -0.091 4.378 4.470 -0.001 0.000 0.226 532 S C -0.682 173.509 174.600 -0.681 0.000 1.044 532 S CA 1.727 59.736 58.200 -0.318 0.000 1.062 532 S CB -1.612 61.445 63.200 -0.238 0.000 0.931 532 S HN 0.420 nan 8.310 nan 0.000 0.440 533 P HA -0.067 nan 4.420 nan 0.000 0.217 533 P C 1.475 178.518 177.300 -0.429 0.000 1.148 533 P CA 0.937 63.817 63.100 -0.366 0.000 0.834 533 P CB -0.307 31.162 31.700 -0.385 0.000 0.783 534 V N -2.072 117.501 119.914 -0.568 0.000 2.427 534 V HA -0.162 3.958 4.120 -0.001 0.000 0.248 534 V C 2.328 178.139 176.094 -0.471 0.000 1.051 534 V CA 1.612 63.542 62.300 -0.616 0.000 1.048 534 V CB -1.480 29.845 31.823 -0.828 0.000 0.666 534 V HN 0.116 nan 8.190 nan 0.000 0.456 535 W N -0.401 120.782 121.300 -0.195 0.000 2.418 535 W HA -0.068 4.592 4.660 -0.001 0.000 0.292 535 W C 2.458 178.997 176.519 0.032 0.000 1.213 535 W CA 0.852 58.137 57.345 -0.100 0.000 1.283 535 W CB -0.430 28.962 29.460 -0.114 0.000 1.119 535 W HN 0.333 nan 8.180 nan 0.000 0.542 536 H N -0.028 119.126 119.070 0.140 0.000 2.545 536 H HA -0.067 4.488 4.556 -0.001 0.000 0.282 536 H C 1.841 177.179 175.328 0.016 0.000 1.020 536 H CA 0.755 56.840 56.048 0.063 0.000 1.243 536 H CB -0.106 29.674 29.762 0.029 0.000 1.377 536 H HN 0.239 nan 8.280 nan 0.000 0.581 537 I N 0.599 121.224 120.570 0.092 0.000 2.286 537 I HA -0.172 3.997 4.170 -0.001 0.000 0.245 537 I C 2.513 178.693 176.117 0.104 0.000 1.104 537 I CA 0.950 62.271 61.300 0.036 0.000 1.397 537 I CB -0.019 37.964 38.000 -0.027 0.000 1.072 537 I HN 0.242 nan 8.210 nan 0.000 0.417 538 A N 0.093 122.991 122.820 0.129 0.000 2.208 538 A HA 0.344 4.664 4.320 -0.001 0.000 0.209 538 A C 1.738 179.391 177.584 0.114 0.000 1.161 538 A CA 0.729 52.844 52.037 0.130 0.000 0.782 538 A CB -0.529 18.558 19.000 0.145 0.000 0.816 538 A HN 0.571 nan 8.150 nan 0.000 0.477 539 G N -0.701 108.168 108.800 0.115 0.000 2.142 539 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.225 539 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.225 539 G C -0.067 174.884 174.900 0.085 0.000 1.015 539 G CA 0.094 45.243 45.100 0.081 0.000 0.716 539 G HN 0.445 nan 8.290 nan 0.000 0.508 540 I N 1.124 121.779 120.570 0.142 0.000 2.325 540 I HA 0.292 4.461 4.170 -0.001 0.000 0.291 540 I C 0.282 176.485 176.117 0.145 0.000 1.019 540 I CA -0.660 60.713 61.300 0.121 0.000 1.302 540 I CB 0.814 38.898 38.000 0.141 0.000 1.401 540 I HN -0.006 nan 8.210 nan 0.000 0.485 541 D N 3.841 124.281 120.400 0.066 0.000 2.344 541 D HA 0.323 4.962 4.640 -0.001 0.000 0.244 541 D C -0.112 176.227 176.300 0.065 0.000 1.134 541 D CA 0.427 54.468 54.000 0.068 0.000 0.930 541 D CB 0.914 41.727 40.800 0.021 0.000 1.175 541 D HN 0.597 nan 8.370 nan 0.000 0.437 542 T N -1.122 113.492 114.554 0.100 0.000 3.477 542 T HA 0.356 4.706 4.350 -0.001 0.000 0.277 542 T C -2.778 171.933 174.700 0.019 0.000 1.090 542 T CA -1.537 60.591 62.100 0.046 0.000 1.635 542 T CB 0.615 69.547 68.868 0.106 0.000 0.817 542 T HN 0.055 nan 8.240 nan 0.000 0.609 543 P HA 0.333 nan 4.420 nan 0.000 0.272 543 P C -0.405 176.773 177.300 -0.202 0.000 1.223 543 P CA -0.107 62.995 63.100 0.003 0.000 0.784 543 P CB 0.694 32.464 31.700 0.116 0.000 0.923 544 Q N -0.817 118.855 119.800 -0.213 0.000 2.626 544 Q HA 0.824 5.164 4.340 -0.001 0.000 0.300 544 Q C -1.509 174.355 176.000 -0.227 0.000 0.988 544 Q CA -1.380 54.143 55.803 -0.467 0.000 0.761 544 Q CB 1.523 30.078 28.738 -0.306 0.000 1.494 544 Q HN 0.270 nan 8.270 nan 0.000 0.439 545 V N -1.216 118.531 119.914 -0.278 0.000 2.638 545 V HA 0.810 4.929 4.120 -0.001 0.000 0.306 545 V C -0.504 175.493 176.094 -0.162 0.000 1.052 545 V CA 0.000 62.283 62.300 -0.028 0.000 0.885 545 V CB 1.253 33.211 31.823 0.225 0.000 0.999 545 V HN 0.985 nan 8.190 nan 0.000 0.424 550 T N 0.430 115.007 114.554 0.038 0.000 3.169 550 T HA 0.431 4.781 4.350 -0.001 0.000 0.250 550 T C 1.486 176.200 174.700 0.024 0.000 1.111 550 T CA 0.390 62.511 62.100 0.034 0.000 1.010 550 T CB 0.141 69.029 68.868 0.033 0.000 0.984 550 T HN 0.883 nan 8.240 nan 0.000 0.537 551 A N 0.389 123.224 122.820 0.025 0.000 2.609 551 A HA 0.416 4.736 4.320 -0.001 0.000 0.286 551 A C 1.368 178.967 177.584 0.026 0.000 1.138 551 A CA -0.335 51.714 52.037 0.020 0.000 0.960 551 A CB 0.341 19.352 19.000 0.017 0.000 1.208 551 A HN 0.309 nan 8.150 nan 0.000 0.541 552 E N -0.594 119.627 120.200 0.037 0.000 2.465 552 E HA 0.229 4.579 4.350 -0.001 0.000 0.209 552 E C 1.137 177.779 176.600 0.070 0.000 0.951 552 E CA 0.144 56.574 56.400 0.050 0.000 0.997 552 E CB 0.289 30.021 29.700 0.054 0.000 1.025 552 E HN 0.674 nan 8.360 nan 0.000 0.500 553 I N 0.431 121.040 120.570 0.064 0.000 2.584 553 I HA -0.133 4.036 4.170 -0.001 0.000 0.255 553 I C 2.006 178.096 176.117 -0.045 0.000 1.145 553 I CA 0.468 61.819 61.300 0.085 0.000 1.462 553 I CB 0.274 38.324 38.000 0.083 0.000 1.102 553 I HN -0.033 nan 8.210 nan 0.000 0.433 554 V N 0.145 120.037 119.914 -0.037 0.000 2.379 554 V HA -0.155 3.964 4.120 -0.001 0.000 0.243 554 V C 2.299 178.396 176.094 0.004 0.000 1.035 554 V CA 1.435 63.715 62.300 -0.033 0.000 1.035 554 V CB -0.562 31.254 31.823 -0.012 0.000 0.673 554 V HN 0.272 nan 8.190 nan 0.000 0.457 555 E N 0.689 120.892 120.200 0.004 0.000 2.204 555 E HA -0.081 4.269 4.350 -0.001 0.000 0.194 555 E C 2.061 178.658 176.600 -0.004 0.000 0.989 555 E CA 1.176 57.579 56.400 0.004 0.000 0.824 555 E CB -0.264 29.445 29.700 0.014 0.000 0.756 555 E HN 0.571 nan 8.360 nan 0.000 0.477 556 A N -0.661 122.161 122.820 0.002 0.000 2.072 556 A HA -0.005 4.314 4.320 -0.001 0.000 0.216 556 A C 1.787 179.302 177.584 -0.115 0.000 1.156 556 A CA 0.441 52.500 52.037 0.036 0.000 0.701 556 A CB -0.446 18.669 19.000 0.192 0.000 0.816 556 A HN 0.438 nan 8.150 nan 0.000 0.458 557 F N 0.647 120.240 119.950 -0.596 0.000 2.664 557 F HA 0.208 4.734 4.527 -0.001 0.000 0.296 557 F C 2.181 177.766 175.800 -0.358 0.000 1.125 557 F CA 1.505 58.994 58.000 -0.851 0.000 1.444 557 F CB -0.059 38.226 39.000 -1.192 0.000 1.114 557 F HN 0.181 nan 8.300 nan 0.000 0.576 558 K N 0.783 121.059 120.400 -0.207 0.000 2.098 558 K HA 0.023 4.343 4.320 -0.001 0.000 0.203 558 K C 1.953 178.449 176.600 -0.173 0.000 1.051 558 K CA 1.412 57.583 56.287 -0.193 0.000 0.957 558 K CB -0.780 nan 32.500 nan 0.000 0.738 558 K HN 0.261 nan 8.250 nan 0.000 0.447 559 K N 1.507 121.838 120.400 -0.114 0.000 2.025 559 K HA -0.120 4.199 4.320 -0.001 0.000 0.207 559 K C 2.474 179.032 176.600 -0.069 0.000 1.049 559 K CA 2.223 58.470 56.287 -0.066 0.000 0.933 559 K CB -0.435 32.054 32.500 -0.018 0.000 0.714 559 K HN 0.472 nan 8.250 nan 0.000 0.438 560 S N -1.093 114.560 115.700 -0.079 0.000 2.353 560 S HA -0.069 4.401 4.470 -0.001 0.000 0.222 560 S C 1.688 176.226 174.600 -0.103 0.000 1.035 560 S CA 1.650 59.830 58.200 -0.033 0.000 1.025 560 S CB -0.885 62.361 63.200 0.077 0.000 0.902 560 S HN 0.735 nan 8.310 nan 0.000 0.440 561 G N 0.474 109.139 108.800 -0.224 0.000 2.168 561 G HA2 0.114 4.074 3.960 -0.001 0.000 0.197 561 G HA3 0.114 4.074 3.960 -0.001 0.000 0.197 561 G C 0.144 174.892 174.900 -0.253 0.000 0.997 561 G CA 0.060 45.031 45.100 -0.215 0.000 0.658 561 G HN 1.317 nan 8.290 nan 0.000 0.513 562 A N -0.149 122.461 122.820 -0.349 0.000 2.425 562 A HA 0.664 4.983 4.320 -0.001 0.000 0.249 562 A C 1.109 178.489 177.584 -0.340 0.000 1.084 562 A CA 0.958 52.835 52.037 -0.268 0.000 0.781 562 A CB 0.376 19.318 19.000 -0.098 0.000 1.019 562 A HN 0.468 nan 8.150 nan 0.000 0.490 563 Q N 0.625 120.356 119.800 -0.114 0.000 2.396 563 Q HA 0.205 4.545 4.340 -0.001 0.000 0.209 563 Q C -0.360 175.714 176.000 0.123 0.000 0.906 563 Q CA 0.384 56.175 55.803 -0.020 0.000 0.927 563 Q CB 0.631 29.363 28.738 -0.011 0.000 1.069 563 Q HN 0.510 nan 8.270 nan 0.000 0.523 564 V N 0.244 120.251 119.914 0.154 0.000 2.769 564 V HA 0.783 4.902 4.120 -0.001 0.000 0.312 564 V C -1.080 175.197 176.094 0.306 0.000 1.061 564 V CA -0.722 61.702 62.300 0.207 0.000 0.931 564 V CB 1.875 33.755 31.823 0.096 0.000 1.010 564 V HN 0.154 nan 8.190 nan 0.000 0.433 565 A N 2.587 125.592 122.820 0.308 0.000 2.498 565 A HA 0.778 5.098 4.320 -0.001 0.000 0.298 565 A C -1.533 176.217 177.584 0.277 0.000 1.075 565 A CA -0.521 51.702 52.037 0.309 0.000 0.714 565 A CB 1.902 21.031 19.000 0.214 0.000 1.299 565 A HN 0.718 nan 8.150 nan 0.000 0.407 566 D N 2.033 122.589 120.400 0.260 0.000 2.492 566 D HA 0.317 4.956 4.640 -0.001 0.000 0.248 566 D C -1.048 175.397 176.300 0.241 0.000 1.101 566 D CA -0.304 53.889 54.000 0.322 0.000 0.840 566 D CB 1.202 42.257 40.800 0.426 0.000 1.209 566 D HN 0.298 nan 8.370 nan 0.000 0.524 567 L N 3.966 125.342 121.223 0.255 0.000 2.385 567 L HA 0.204 4.543 4.340 -0.001 0.000 0.281 567 L C -0.205 176.856 176.870 0.319 0.000 1.106 567 L CA -0.108 54.883 54.840 0.253 0.000 0.856 567 L CB 0.236 42.430 42.059 0.225 0.000 1.186 567 L HN 0.485 nan 8.230 nan 0.000 0.453 568 C N 3.178 122.614 119.300 0.228 0.000 2.293 568 C HA 0.744 5.203 4.460 -0.001 0.000 0.323 568 C C 0.699 175.719 174.990 0.051 0.000 1.240 568 C CA -0.265 58.859 59.018 0.178 0.000 1.497 568 C CB 0.922 28.713 27.740 0.087 0.000 2.171 568 C HN 0.978 nan 8.230 nan 0.000 0.465 569 S N 1.005 116.594 115.700 -0.184 0.000 2.694 569 S HA 0.681 5.150 4.470 -0.001 0.000 0.273 569 S C -0.701 173.435 174.600 -0.773 0.000 1.180 569 S CA -0.335 57.589 58.200 -0.460 0.000 0.864 569 S CB 1.389 64.272 63.200 -0.528 0.000 1.198 569 S HN 0.835 nan 8.310 nan 0.000 0.499 570 S N 0.781 116.113 115.700 -0.612 0.000 2.690 570 S HA 0.779 5.249 4.470 -0.001 0.000 0.291 570 S C 1.345 175.686 174.600 -0.432 0.000 1.138 570 S CA -0.097 57.848 58.200 -0.424 0.000 1.013 570 S CB 1.062 64.136 63.200 -0.210 0.000 1.053 570 S HN 1.204 nan 8.310 nan 0.000 0.539 571 A N 1.682 124.403 122.820 -0.165 0.000 1.896 571 A HA -0.242 4.077 4.320 -0.001 0.000 0.220 571 A C 2.101 179.651 177.584 -0.057 0.000 1.206 571 A CA 2.326 54.333 52.037 -0.049 0.000 0.647 571 A CB -1.258 17.730 19.000 -0.021 0.000 0.828 571 A HN 0.968 nan 8.150 nan 0.000 0.455 572 K N -0.290 120.070 120.400 -0.065 0.000 2.059 572 K HA -0.187 4.133 4.320 -0.001 0.000 0.212 572 K C 1.549 178.127 176.600 -0.037 0.000 1.050 572 K CA 2.398 58.660 56.287 -0.042 0.000 0.927 572 K CB -0.390 32.085 32.500 -0.043 0.000 0.714 572 K HN 0.407 nan 8.250 nan 0.000 0.447 573 V N -0.581 119.287 119.914 -0.077 0.000 3.541 573 V HA -0.037 4.083 4.120 -0.001 0.000 0.267 573 V C 1.683 177.779 176.094 0.003 0.000 1.213 573 V CA 0.450 62.724 62.300 -0.044 0.000 1.149 573 V CB -0.738 31.052 31.823 -0.055 0.000 0.822 573 V HN 0.186 nan 8.190 nan 0.000 0.462 574 Y N 1.440 121.668 120.300 -0.121 0.000 2.347 574 Y HA 0.352 4.901 4.550 -0.001 0.000 0.294 574 Y C 2.606 178.377 175.900 -0.215 0.000 1.117 574 Y CA 0.383 58.319 58.100 -0.274 0.000 1.184 574 Y CB -0.789 37.329 38.460 -0.571 0.000 1.047 574 Y HN 0.226 nan 8.280 nan 0.000 0.546 575 A N -0.315 122.535 122.820 0.050 0.000 1.872 575 A HA -0.165 4.154 4.320 -0.001 0.000 0.214 575 A C 2.152 179.812 177.584 0.127 0.000 1.187 575 A CA 1.371 53.475 52.037 0.111 0.000 0.614 575 A CB -0.630 18.414 19.000 0.074 0.000 0.826 575 A HN 0.432 nan 8.150 nan 0.000 0.442 576 Q N -1.716 118.137 119.800 0.088 0.000 1.856 576 Q HA -0.178 4.162 4.340 -0.001 0.000 0.228 576 Q C 2.429 178.491 176.000 0.103 0.000 0.987 576 Q CA 2.283 58.133 55.803 0.078 0.000 0.873 576 Q CB -0.298 28.470 28.738 0.049 0.000 0.928 576 Q HN 0.726 nan 8.270 nan 0.000 0.425 577 Q N -0.266 119.599 119.800 0.108 0.000 2.247 577 Q HA 0.180 4.520 4.340 -0.001 0.000 0.204 577 Q C 1.530 177.638 176.000 0.180 0.000 0.872 577 Q CA 0.661 56.537 55.803 0.122 0.000 0.951 577 Q CB 0.047 28.839 28.738 0.090 0.000 1.099 577 Q HN 0.609 nan 8.270 nan 0.000 0.501 578 G N 0.148 109.107 108.800 0.266 0.000 2.470 578 G HA2 -0.004 3.955 3.960 -0.001 0.000 0.220 578 G HA3 -0.004 3.955 3.960 -0.001 0.000 0.220 578 G C 1.351 176.478 174.900 0.379 0.000 1.121 578 G CA 1.130 46.471 45.100 0.402 0.000 0.766 578 G HN 0.474 nan 8.290 nan 0.000 0.553 579 L N -0.511 120.860 121.223 0.247 0.000 2.463 579 L HA 0.326 4.665 4.340 -0.001 0.000 0.219 579 L C 2.374 179.281 176.870 0.061 0.000 1.088 579 L CA 0.682 55.584 54.840 0.103 0.000 0.849 579 L CB 0.100 42.171 42.059 0.019 0.000 1.012 579 L HN 0.275 nan 8.230 nan 0.000 0.468 580 E N -0.732 119.514 120.200 0.075 0.000 2.012 580 E HA -0.218 4.132 4.350 -0.001 0.000 0.197 580 E C 2.127 178.749 176.600 0.036 0.000 1.007 580 E CA 2.115 58.544 56.400 0.047 0.000 0.816 580 E CB -0.033 29.698 29.700 0.053 0.000 0.762 580 E HN 0.199 nan 8.360 nan 0.000 0.451 581 V N 1.330 121.278 119.914 0.056 0.000 2.252 581 V HA -0.353 3.766 4.120 -0.001 0.000 0.249 581 V C 2.392 178.495 176.094 0.015 0.000 1.056 581 V CA 2.096 64.419 62.300 0.038 0.000 1.022 581 V CB -1.071 30.799 31.823 0.078 0.000 0.641 581 V HN 0.497 nan 8.190 nan 0.000 0.445 582 A N 0.275 123.127 122.820 0.053 0.000 1.849 582 A HA -0.305 4.014 4.320 -0.001 0.000 0.217 582 A C 2.490 180.060 177.584 -0.024 0.000 1.202 582 A CA 3.528 55.578 52.037 0.021 0.000 0.629 582 A CB -1.068 17.953 19.000 0.036 0.000 0.834 582 A HN 0.550 nan 8.150 nan 0.000 0.447 583 K N -0.743 119.642 120.400 -0.025 0.000 2.063 583 K HA 0.081 4.401 4.320 -0.001 0.000 0.208 583 K C 2.456 179.035 176.600 -0.034 0.000 1.048 583 K CA 2.313 58.581 56.287 -0.033 0.000 0.928 583 K CB -1.557 30.926 32.500 -0.027 0.000 0.713 583 K HN 1.028 nan 8.250 nan 0.000 0.442 584 A N 1.220 124.021 122.820 -0.032 0.000 1.841 584 A HA -0.047 4.272 4.320 -0.001 0.000 0.216 584 A C 2.533 180.074 177.584 -0.072 0.000 1.199 584 A CA 1.840 53.854 52.037 -0.038 0.000 0.621 584 A CB -0.600 18.383 19.000 -0.030 0.000 0.835 584 A HN 0.486 nan 8.150 nan 0.000 0.445 585 L N -0.530 120.610 121.223 -0.138 0.000 1.971 585 L HA -0.230 4.109 4.340 -0.001 0.000 0.215 585 L C 3.006 179.791 176.870 -0.141 0.000 1.072 585 L CA 2.504 57.182 54.840 -0.269 0.000 0.758 585 L CB -1.496 40.282 42.059 -0.467 0.000 0.889 585 L HN 0.568 nan 8.230 nan 0.000 0.433 586 K N 0.728 121.077 120.400 -0.085 0.000 1.984 586 K HA -0.231 4.089 4.320 -0.001 0.000 0.232 586 K C 1.340 177.936 176.600 -0.006 0.000 1.016 586 K CA 2.237 58.502 56.287 -0.037 0.000 1.010 586 K CB -1.882 30.598 32.500 -0.034 0.000 0.739 586 K HN 0.525 nan 8.250 nan 0.000 0.450 587 A N -0.347 122.471 122.820 -0.005 0.000 2.736 587 A HA 0.668 4.988 4.320 -0.001 0.000 0.335 587 A C 0.772 178.371 177.584 0.025 0.000 1.446 587 A CA 0.459 52.505 52.037 0.015 0.000 1.028 587 A CB 0.110 19.114 19.000 0.007 0.000 1.154 587 A HN 1.554 nan 8.150 nan 0.000 0.507 588 A N 0.507 123.364 122.820 0.061 0.000 2.701 588 A HA 0.578 4.897 4.320 -0.001 0.000 0.241 588 A C 1.140 178.827 177.584 0.173 0.000 1.231 588 A CA 0.962 53.059 52.037 0.100 0.000 1.003 588 A CB -0.050 19.009 19.000 0.098 0.000 1.281 588 A HN 2.047 nan 8.150 nan 0.000 0.600 589 G N -0.236 108.653 108.800 0.148 0.000 3.753 589 G HA2 0.327 4.287 3.960 -0.001 0.000 0.196 589 G HA3 0.327 4.287 3.960 -0.001 0.000 0.196 589 G C 0.749 175.738 174.900 0.148 0.000 1.538 589 G CA 0.260 45.430 45.100 0.116 0.000 1.040 589 G HN 1.795 nan 8.290 nan 0.000 0.427 590 A N 1.311 124.319 122.820 0.314 0.000 2.570 590 A HA 0.279 4.598 4.320 -0.001 0.000 0.274 590 A C 1.298 178.967 177.584 0.143 0.000 0.943 590 A CA 1.866 54.090 52.037 0.311 0.000 0.983 590 A CB -0.145 18.984 19.000 0.215 0.000 0.802 590 A HN 0.749 nan 8.150 nan 0.000 0.456 591 K N 2.023 122.496 120.400 0.121 0.000 2.242 591 K HA 0.361 4.681 4.320 -0.001 0.000 0.200 591 K C 0.715 177.356 176.600 0.068 0.000 1.050 591 K CA 1.103 57.436 56.287 0.077 0.000 0.981 591 K CB 0.238 32.778 32.500 0.067 0.000 0.795 591 K HN 0.785 nan 8.250 nan 0.000 0.477 592 A N 1.093 123.971 122.820 0.097 0.000 2.413 592 A HA 0.696 5.016 4.320 -0.001 0.000 0.307 592 A C -1.743 175.885 177.584 0.074 0.000 1.087 592 A CA -0.627 51.450 52.037 0.067 0.000 0.750 592 A CB 1.492 20.576 19.000 0.138 0.000 1.296 592 A HN 0.076 nan 8.150 nan 0.000 0.423 593 L N 1.377 122.570 121.223 -0.051 0.000 2.504 593 L HA 0.523 4.863 4.340 -0.001 0.000 0.265 593 L C -1.734 175.102 176.870 -0.056 0.000 0.975 593 L CA -0.165 54.685 54.840 0.017 0.000 0.864 593 L CB 0.940 43.003 42.059 0.006 0.000 1.212 593 L HN 0.675 nan 8.230 nan 0.000 0.416 594 Y N 4.026 124.430 120.300 0.175 0.000 2.335 594 Y HA 0.659 5.209 4.550 -0.001 0.000 0.323 594 Y C -0.071 175.943 175.900 0.190 0.000 1.224 594 Y CA -0.230 58.001 58.100 0.219 0.000 1.241 594 Y CB 1.857 40.528 38.460 0.351 0.000 1.235 594 Y HN 0.548 nan 8.280 nan 0.000 0.492 595 L N 0.946 122.339 121.223 0.283 0.000 2.381 595 L HA 0.638 4.978 4.340 -0.001 0.000 0.268 595 L C -0.886 176.093 176.870 0.182 0.000 0.997 595 L CA -0.352 54.596 54.840 0.181 0.000 0.818 595 L CB 2.005 44.095 42.059 0.052 0.000 1.310 595 L HN 0.458 nan 8.230 nan 0.000 0.416 596 S N 3.774 119.607 115.700 0.221 0.000 2.473 596 S HA 0.789 5.259 4.470 -0.001 0.000 0.312 596 S C 0.315 175.034 174.600 0.199 0.000 1.087 596 S CA 0.220 58.555 58.200 0.225 0.000 1.077 596 S CB 0.047 63.402 63.200 0.259 0.000 1.065 596 S HN 1.232 nan 8.310 nan 0.000 0.510 597 G N 1.949 110.803 108.800 0.091 0.000 2.247 597 G HA2 0.438 4.398 3.960 -0.001 0.000 0.229 597 G HA3 0.438 4.398 3.960 -0.001 0.000 0.229 597 G C -1.099 173.721 174.900 -0.133 0.000 1.345 597 G CA -0.272 44.839 45.100 0.018 0.000 1.100 597 G HN 0.932 nan 8.290 nan 0.000 0.473 598 A N -1.453 121.264 122.820 -0.170 0.000 2.389 598 A HA 0.852 5.171 4.320 -0.001 0.000 0.293 598 A C 0.232 177.704 177.584 -0.187 0.000 1.186 598 A CA -0.315 51.558 52.037 -0.273 0.000 0.828 598 A CB 0.807 19.706 19.000 -0.168 0.000 1.369 598 A HN 0.959 nan 8.150 nan 0.000 0.446 599 F N -0.091 119.897 119.950 0.062 0.000 2.615 599 F HA 0.017 4.544 4.527 -0.001 0.000 0.297 599 F C 2.237 178.144 175.800 0.179 0.000 1.124 599 F CA 1.286 59.376 58.000 0.151 0.000 1.451 599 F CB -0.001 39.029 39.000 0.051 0.000 1.103 599 F HN 0.456 nan 8.300 nan 0.000 0.569 600 K N -0.744 119.797 120.400 0.235 0.000 2.476 600 K HA 0.116 4.436 4.320 -0.001 0.000 0.196 600 K C 1.215 177.881 176.600 0.111 0.000 1.025 600 K CA 0.347 56.728 56.287 0.156 0.000 1.138 600 K CB -0.657 31.895 32.500 0.087 0.000 0.860 600 K HN 0.369 nan 8.250 nan 0.000 0.515 601 E N -0.118 120.132 120.200 0.084 0.000 2.250 601 E HA 0.169 4.519 4.350 -0.001 0.000 0.192 601 E C 0.943 177.516 176.600 -0.045 0.000 0.986 601 E CA 0.655 57.054 56.400 -0.001 0.000 0.849 601 E CB -0.187 29.499 29.700 -0.023 0.000 0.797 601 E HN 0.535 nan 8.360 nan 0.000 0.482 602 F N -0.400 119.601 119.950 0.085 0.000 2.206 602 F HA 0.069 4.596 4.527 -0.001 0.000 0.298 602 F C 2.003 177.840 175.800 0.061 0.000 1.090 602 F CA 0.993 59.038 58.000 0.076 0.000 1.323 602 F CB -0.233 38.797 39.000 0.050 0.000 1.028 602 F HN 0.179 nan 8.300 nan 0.000 0.492 603 G N -0.066 108.864 108.800 0.217 0.000 5.259 603 G HA2 -0.310 3.650 3.960 -0.001 0.000 0.288 603 G HA3 -0.310 3.650 3.960 -0.001 0.000 0.288 603 G C 1.001 175.964 174.900 0.105 0.000 1.534 603 G CA 0.355 45.533 45.100 0.129 0.000 1.031 603 G HN 0.264 nan 8.290 nan 0.000 0.724 604 D N 1.117 121.579 120.400 0.104 0.000 2.355 604 D HA 0.126 4.766 4.640 -0.001 0.000 0.206 604 D C 0.923 177.249 176.300 0.043 0.000 1.010 604 D CA 0.627 54.663 54.000 0.061 0.000 0.875 604 D CB 0.091 40.921 40.800 0.050 0.000 0.966 604 D HN 0.419 nan 8.370 nan 0.000 0.512 605 D N 0.662 121.106 120.400 0.073 0.000 2.342 605 D HA 0.116 4.756 4.640 -0.001 0.000 0.221 605 D C 1.730 177.954 176.300 -0.125 0.000 1.101 605 D CA -0.028 53.954 54.000 -0.030 0.000 0.837 605 D CB 0.550 41.329 40.800 -0.035 0.000 0.938 605 D HN 0.018 nan 8.370 nan 0.000 0.508 606 A N 0.961 123.772 122.820 -0.015 0.000 2.024 606 A HA -0.085 4.234 4.320 -0.001 0.000 0.220 606 A C 2.143 179.614 177.584 -0.189 0.000 1.164 606 A CA 1.850 53.868 52.037 -0.031 0.000 0.643 606 A CB -0.092 18.944 19.000 0.060 0.000 0.806 606 A HN 0.258 nan 8.150 nan 0.000 0.451 607 A N -1.839 120.871 122.820 -0.184 0.000 2.252 607 A HA 0.447 4.767 4.320 -0.001 0.000 0.213 607 A C 1.835 179.273 177.584 -0.244 0.000 1.188 607 A CA 1.275 53.175 52.037 -0.227 0.000 0.863 607 A CB -0.364 18.545 19.000 -0.152 0.000 0.893 607 A HN 0.613 nan 8.150 nan 0.000 0.495 608 E N -0.079 119.979 120.200 -0.235 0.000 2.076 608 E HA 0.172 4.521 4.350 -0.001 0.000 0.190 608 E C 2.159 178.574 176.600 -0.307 0.000 0.979 608 E CA 1.403 57.666 56.400 -0.230 0.000 0.807 608 E CB -0.906 28.677 29.700 -0.195 0.000 0.761 608 E HN 0.851 nan 8.360 nan 0.000 0.454 609 A N 0.704 123.254 122.820 -0.450 0.000 1.968 609 A HA 0.166 4.485 4.320 -0.001 0.000 0.217 609 A C 2.489 179.829 177.584 -0.406 0.000 1.169 609 A CA 2.269 53.987 52.037 -0.532 0.000 0.638 609 A CB -0.701 17.697 19.000 -1.004 0.000 0.812 609 A HN 0.658 nan 8.150 nan 0.000 0.446 610 E N -0.308 119.470 120.200 -0.703 0.000 2.077 610 E HA -0.172 4.178 4.350 -0.001 0.000 0.193 610 E C 2.238 178.618 176.600 -0.367 0.000 0.989 610 E CA 2.628 58.493 56.400 -0.892 0.000 0.800 610 E CB -1.300 27.776 29.700 -1.039 0.000 0.746 610 E HN 0.849 nan 8.360 nan 0.000 0.452 611 K N 0.887 121.126 120.400 -0.269 0.000 1.978 611 K HA -0.007 4.312 4.320 -0.001 0.000 0.214 611 K C 2.443 178.972 176.600 -0.117 0.000 1.049 611 K CA 1.544 57.733 56.287 -0.163 0.000 0.939 611 K CB -1.239 31.175 32.500 -0.144 0.000 0.721 611 K HN 0.427 nan 8.250 nan 0.000 0.441 612 L N -0.179 120.973 121.223 -0.119 0.000 1.971 612 L HA -0.028 4.311 4.340 -0.001 0.000 0.215 612 L C 1.438 178.276 176.870 -0.054 0.000 1.072 612 L CA 0.714 55.504 54.840 -0.083 0.000 0.758 612 L CB -0.611 41.391 42.059 -0.096 0.000 0.889 612 L HN 0.318 nan 8.230 nan 0.000 0.433 613 I N 1.150 121.710 120.570 -0.017 0.000 2.662 613 I HA -0.142 4.028 4.170 -0.001 0.000 0.285 613 I C 1.119 177.238 176.117 0.003 0.000 1.161 613 I CA 0.358 61.685 61.300 0.046 0.000 1.415 613 I CB 0.424 38.569 38.000 0.241 0.000 1.385 613 I HN 0.181 nan 8.210 nan 0.000 0.552 614 D N 5.090 125.399 120.400 -0.150 0.000 2.347 614 D HA 0.130 4.769 4.640 -0.001 0.000 0.213 614 D C 0.702 176.822 176.300 -0.300 0.000 0.985 614 D CA 0.465 54.316 54.000 -0.248 0.000 0.879 614 D CB 0.678 41.248 40.800 -0.384 0.000 0.919 614 D HN 0.773 nan 8.370 nan 0.000 0.526 615 G N -0.247 108.393 108.800 -0.268 0.000 2.466 615 G HA2 0.466 4.426 3.960 -0.001 0.000 0.291 615 G HA3 0.466 4.426 3.960 -0.001 0.000 0.291 615 G C -1.279 173.752 174.900 0.219 0.000 1.460 615 G CA -0.865 44.266 45.100 0.051 0.000 0.791 615 G HN -0.095 nan 8.290 nan 0.000 0.505 616 R N -1.171 119.505 120.500 0.294 0.000 2.902 616 R HA 0.775 5.115 4.340 -0.001 0.000 0.258 616 R C -0.701 175.771 176.300 0.287 0.000 1.071 616 R CA -0.856 55.397 56.100 0.256 0.000 1.024 616 R CB 1.976 32.369 30.300 0.155 0.000 1.184 616 R HN 0.350 nan 8.270 nan 0.000 0.492 617 L N 3.062 124.423 121.223 0.230 0.000 2.349 617 L HA 0.596 4.936 4.340 -0.001 0.000 0.278 617 L C -1.184 175.801 176.870 0.192 0.000 0.996 617 L CA -0.676 54.228 54.840 0.106 0.000 0.825 617 L CB 0.935 43.041 42.059 0.078 0.000 1.243 617 L HN 0.588 nan 8.230 nan 0.000 0.412 618 F N 1.597 121.569 119.950 0.035 0.000 2.641 618 F HA 0.544 5.071 4.527 -0.001 0.000 0.308 618 F C -0.189 175.504 175.800 -0.179 0.000 1.105 618 F CA -1.658 56.258 58.000 -0.139 0.000 0.964 618 F CB 1.482 40.411 39.000 -0.117 0.000 1.294 618 F HN 0.419 nan 8.300 nan 0.000 0.442 619 M N 3.853 123.255 119.600 -0.331 0.000 2.685 619 M HA 0.454 4.933 4.480 -0.001 0.000 0.344 619 M C 0.748 177.091 176.300 0.070 0.000 1.754 619 M CA 1.846 57.009 55.300 -0.229 0.000 1.263 619 M CB -0.795 31.568 32.600 -0.396 0.000 2.042 619 M HN 1.486 nan 8.290 nan 0.000 0.459 620 G N 3.925 112.760 108.800 0.058 0.000 2.318 620 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.172 620 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.172 620 G C 0.134 174.990 174.900 -0.073 0.000 1.002 620 G CA -0.014 45.132 45.100 0.077 0.000 0.697 620 G HN 0.997 nan 8.290 nan 0.000 0.483 621 M N 0.533 119.807 119.600 -0.543 0.000 2.184 621 M HA 0.588 5.067 4.480 -0.001 0.000 0.296 621 M C -0.289 175.816 176.300 -0.325 0.000 1.165 621 M CA 0.163 54.934 55.300 -0.881 0.000 1.175 621 M CB 0.444 32.242 32.600 -1.337 0.000 1.392 621 M HN 0.008 nan 8.290 nan 0.000 0.457 622 D N 0.929 121.193 120.400 -0.228 0.000 2.264 622 D HA 0.285 4.924 4.640 -0.001 0.000 0.250 622 D C 0.721 176.936 176.300 -0.142 0.000 1.113 622 D CA -0.488 53.447 54.000 -0.109 0.000 0.871 622 D CB 1.738 42.514 40.800 -0.040 0.000 1.167 622 D HN 0.583 nan 8.370 nan 0.000 0.447 623 V N 1.850 121.703 119.914 -0.102 0.000 2.949 623 V HA -0.008 4.111 4.120 -0.001 0.000 0.245 623 V C 2.142 178.195 176.094 -0.069 0.000 1.086 623 V CA 0.196 62.423 62.300 -0.121 0.000 1.097 623 V CB -0.451 31.315 31.823 -0.095 0.000 0.762 623 V HN 0.404 nan 8.190 nan 0.000 0.470 624 V N 1.679 121.566 119.914 -0.045 0.000 2.237 624 V HA -0.285 3.835 4.120 -0.001 0.000 0.245 624 V C 2.510 178.581 176.094 -0.039 0.000 1.046 624 V CA 2.823 65.084 62.300 -0.066 0.000 1.007 624 V CB -0.868 30.882 31.823 -0.122 0.000 0.638 624 V HN 0.664 nan 8.190 nan 0.000 0.445 625 D N -0.041 120.343 120.400 -0.026 0.000 2.137 625 D HA -0.216 4.423 4.640 -0.001 0.000 0.189 625 D C 2.196 178.513 176.300 0.028 0.000 0.998 625 D CA 2.405 56.410 54.000 0.009 0.000 0.839 625 D CB -0.301 40.511 40.800 0.021 0.000 0.962 625 D HN 0.383 nan 8.370 nan 0.000 0.446 626 T N -0.108 114.446 114.554 0.000 0.000 2.684 626 T HA -0.138 4.211 4.350 -0.001 0.000 0.267 626 T C 2.063 176.765 174.700 0.004 0.000 1.036 626 T CA 1.295 63.398 62.100 0.005 0.000 1.148 626 T CB -0.441 68.372 68.868 -0.092 0.000 0.863 626 T HN 0.136 nan 8.240 nan 0.000 0.436 627 L N 1.408 122.619 121.223 -0.021 0.000 2.079 627 L HA -0.151 4.188 4.340 -0.001 0.000 0.210 627 L C 2.877 179.802 176.870 0.092 0.000 1.081 627 L CA 1.454 56.337 54.840 0.071 0.000 0.752 627 L CB -0.764 41.325 42.059 0.049 0.000 0.896 627 L HN 0.345 nan 8.230 nan 0.000 0.433 628 S N -1.278 114.456 115.700 0.057 0.000 2.355 628 S HA -0.227 4.243 4.470 -0.001 0.000 0.222 628 S C 2.160 176.809 174.600 0.083 0.000 1.031 628 S CA 1.248 59.481 58.200 0.056 0.000 0.993 628 S CB -0.730 62.487 63.200 0.029 0.000 0.859 628 S HN 0.466 nan 8.310 nan 0.000 0.453 629 S N 1.956 117.721 115.700 0.108 0.000 2.359 629 S HA -0.176 4.293 4.470 -0.001 0.000 0.224 629 S C 1.922 176.634 174.600 0.186 0.000 1.035 629 S CA 2.034 60.325 58.200 0.151 0.000 1.018 629 S CB -1.360 61.960 63.200 0.199 0.000 0.876 629 S HN 0.634 nan 8.310 nan 0.000 0.448 630 T N 2.421 117.094 114.554 0.197 0.000 2.915 630 T HA 0.094 4.444 4.350 -0.001 0.000 0.269 630 T C 1.710 176.471 174.700 0.101 0.000 1.071 630 T CA 1.281 63.480 62.100 0.166 0.000 1.132 630 T CB -0.303 68.636 68.868 0.117 0.000 0.878 630 T HN 0.317 nan 8.240 nan 0.000 0.479 631 L N 0.723 122.003 121.223 0.096 0.000 2.023 631 L HA -0.058 4.281 4.340 -0.001 0.000 0.205 631 L C 2.462 179.368 176.870 0.061 0.000 1.073 631 L CA 1.198 56.078 54.840 0.067 0.000 0.745 631 L CB -0.532 41.566 42.059 0.066 0.000 0.900 631 L HN 0.085 nan 8.230 nan 0.000 0.435 632 D N 0.184 120.624 120.400 0.068 0.000 2.239 632 D HA -0.196 4.443 4.640 -0.001 0.000 0.202 632 D C 2.092 178.431 176.300 0.066 0.000 0.993 632 D CA 1.334 55.371 54.000 0.062 0.000 0.874 632 D CB -0.062 40.779 40.800 0.068 0.000 0.922 632 D HN 0.343 nan 8.370 nan 0.000 0.464 633 I N -0.446 120.173 120.570 0.083 0.000 2.703 633 I HA -0.089 4.080 4.170 -0.001 0.000 0.259 633 I C 2.141 178.295 176.117 0.061 0.000 1.151 633 I CA 0.253 61.602 61.300 0.083 0.000 1.470 633 I CB 0.157 38.231 38.000 0.124 0.000 1.112 633 I HN -0.021 nan 8.210 nan 0.000 0.437 634 L N 0.315 121.569 121.223 0.052 0.000 2.109 634 L HA 0.027 4.367 4.340 -0.001 0.000 0.207 634 L C 1.441 178.324 176.870 0.021 0.000 1.086 634 L CA 1.278 56.135 54.840 0.029 0.000 0.760 634 L CB -0.267 41.801 42.059 0.015 0.000 0.910 634 L HN 0.499 nan 8.230 nan 0.000 0.437 635 G N 0.004 108.819 108.800 0.026 0.000 2.147 635 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.128 635 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.128 635 G C -0.006 174.905 174.900 0.019 0.000 1.026 635 G CA -0.069 45.043 45.100 0.021 0.000 0.693 635 G HN 0.186 nan 8.290 nan 0.000 0.499 636 V N -1.024 118.904 119.914 0.023 0.000 2.785 636 V HA 0.911 5.030 4.120 -0.001 0.000 0.300 636 V C 1.124 177.231 176.094 0.022 0.000 1.062 636 V CA 0.113 62.425 62.300 0.021 0.000 1.029 636 V CB 1.174 33.012 31.823 0.024 0.000 1.024 636 V HN 1.861 nan 8.190 nan 0.000 0.477 637 A N 0.000 122.832 122.820 0.020 0.000 2.254 637 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 637 A CA 0.000 52.048 52.037 0.019 0.000 0.836 637 A CB 0.000 19.010 19.000 0.017 0.000 0.831 637 A HN 0.000 nan 8.150 nan 0.000 0.486