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 1e7p_1_J DATA FIRST_RESID 1 DATA SEQUENCE MKVQYCDSLV IGGGLAGLRA AVATQQKGLS TIVLSLIPVK RSHSAAAQGG DATA SEQUENCE MQASLGNSKM SDGDNEDLHF MDTVKGSDWG CDQKVARMFV NTAPKAIREL DATA SEQUENCE AAWGVPWTRI HKGDRMAIIN AQKTTITEED FRHGLIHSRD FGGTKKWRTC DATA SEQUENCE YTADATGHTM LFAVANECLK LGVSIQDRKE AIALIHQDGK CYGAVVRDLV DATA SEQUENCE TGDIIAYVAK GTLIATGGYG RIYKNTTNAV VCEGTGTAIA LETGIAQLGN DATA SEQUENCE MEAVQFHPTP LFPSGILLTE GCRGDGGILR DVDGHRFMPD YEPEKKELAS DATA SEQUENCE RDVVSRRMIE HIRKGKGVQS PYGQHLWLDI SILGRKHIET NLRDVQEICE DATA SEQUENCE YFAGIDPAEK WAPVLPMQHY SMGGIRTDYR GEAKLKGLFS AGEAACWDMH DATA SEQUENCE GFNRLGGNSV SEAVVAGMIV GEYFAEHCAN TQVDLETKTL EKFVKGQEAY DATA SEQUENCE MKSLVESKGT EDVFKIKNRM KDVMDDNVGI FRDGPHLEKA VKELEELYKK DATA SEQUENCE SKNVGIKNKR LHANPELEEA YRVPMMLKVA LCVAKGALDR TESRGAHNRE DATA SEQUENCE DYPKRDDINW LNRTLASWPN PEQTLPTLEY EALDVNEMEI APGYRGYGAK DATA SEQUENCE GNYIENPLSV KRQEEIDKIQ SELEAAGKDR HAIQEALMPY ELPAKYKARN DATA SEQUENCE ERLGD 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.294 176.300 -0.010 0.000 1.140 1 M CA 0.000 55.300 55.300 0.000 0.000 0.988 1 M CB 0.000 32.604 32.600 0.006 0.000 1.302 2 K N 3.173 123.565 120.400 -0.013 0.000 2.263 2 K HA 0.752 5.072 4.320 -0.000 0.000 0.272 2 K C -1.759 174.806 176.600 -0.058 0.000 1.033 2 K CA -0.325 55.942 56.287 -0.034 0.000 0.884 2 K CB 1.569 34.053 32.500 -0.027 0.000 1.107 2 K HN 0.477 nan 8.250 nan 0.000 0.460 3 V N 3.942 123.808 119.914 -0.080 0.000 2.709 3 V HA 0.399 4.519 4.120 -0.000 0.000 0.308 3 V C -0.911 175.086 176.094 -0.163 0.000 1.062 3 V CA -0.859 61.375 62.300 -0.110 0.000 0.901 3 V CB 1.945 33.737 31.823 -0.051 0.000 1.003 3 V HN 0.712 nan 8.190 nan 0.000 0.425 4 Q N 2.297 121.923 119.800 -0.290 0.000 2.304 4 Q HA 0.521 4.860 4.340 -0.000 0.000 0.270 4 Q C -2.004 173.905 176.000 -0.153 0.000 1.035 4 Q CA -0.617 55.013 55.803 -0.289 0.000 0.781 4 Q CB 2.650 31.054 28.738 -0.556 0.000 1.261 4 Q HN 0.779 nan 8.270 nan 0.000 0.444 5 Y N 2.675 122.894 120.300 -0.135 0.000 2.496 5 Y HA 0.701 5.251 4.550 -0.000 0.000 0.331 5 Y C -0.730 175.153 175.900 -0.027 0.000 1.140 5 Y CA -0.480 57.579 58.100 -0.067 0.000 1.166 5 Y CB 1.195 39.617 38.460 -0.063 0.000 1.249 5 Y HN 0.844 nan 8.280 nan 0.000 0.479 6 C N 2.643 121.318 119.300 -1.043 0.000 3.284 6 C HA 0.324 4.784 4.460 -0.000 0.000 0.338 6 C C 0.259 174.668 174.990 -0.968 0.000 1.237 6 C CA -0.883 57.710 59.018 -0.708 0.000 1.276 6 C CB 1.260 28.851 27.740 -0.248 0.000 1.601 6 C HN 0.874 nan 8.230 nan 0.000 0.494 7 D N 1.468 121.575 120.400 -0.489 0.000 2.178 7 D HA 0.030 4.670 4.640 -0.000 0.000 0.201 7 D C 0.972 177.099 176.300 -0.288 0.000 0.980 7 D CA 2.191 56.007 54.000 -0.307 0.000 0.842 7 D CB 0.154 40.873 40.800 -0.135 0.000 0.948 7 D HN 1.018 nan 8.370 nan 0.000 0.472 8 S N -0.461 115.096 115.700 -0.239 0.000 2.680 8 S HA 0.348 4.818 4.470 -0.000 0.000 0.262 8 S C -0.523 174.076 174.600 -0.002 0.000 1.138 8 S CA -0.954 57.140 58.200 -0.176 0.000 1.072 8 S CB 0.904 63.902 63.200 -0.337 0.000 1.097 8 S HN 0.086 nan 8.310 nan 0.000 0.468 9 L N 2.675 123.938 121.223 0.066 0.000 2.475 9 L HA 0.669 5.009 4.340 -0.000 0.000 0.250 9 L C -0.759 176.188 176.870 0.128 0.000 1.224 9 L CA -0.468 54.418 54.840 0.077 0.000 0.821 9 L CB 1.084 43.188 42.059 0.075 0.000 1.141 9 L HN 0.680 nan 8.230 nan 0.000 0.494 10 V N 3.596 123.529 119.914 0.031 0.000 2.881 10 V HA 0.166 4.286 4.120 -0.000 0.000 0.254 10 V C -0.098 175.960 176.094 -0.059 0.000 0.880 10 V CA -0.408 61.883 62.300 -0.014 0.000 0.926 10 V CB 1.022 32.841 31.823 -0.006 0.000 1.033 10 V HN 0.479 nan 8.190 nan 0.000 0.501 11 I N 4.061 124.592 120.570 -0.066 0.000 2.593 11 I HA 0.451 4.621 4.170 -0.000 0.000 0.304 11 I C 1.050 177.124 176.117 -0.071 0.000 1.176 11 I CA 0.865 62.119 61.300 -0.076 0.000 1.533 11 I CB 0.078 38.042 38.000 -0.061 0.000 1.492 11 I HN 0.762 nan 8.210 nan 0.000 0.704 12 G N 3.663 112.421 108.800 -0.070 0.000 2.492 12 G HA2 0.006 3.966 3.960 -0.000 0.000 0.283 12 G HA3 0.006 3.966 3.960 -0.000 0.000 0.283 12 G C 0.205 175.072 174.900 -0.055 0.000 1.274 12 G CA -0.586 44.479 45.100 -0.058 0.000 1.215 12 G HN 0.773 nan 8.290 nan 0.000 0.598 13 G N 0.607 109.375 108.800 -0.053 0.000 3.375 13 G HA2 0.515 4.475 3.960 -0.000 0.000 0.247 13 G HA3 0.515 4.475 3.960 -0.000 0.000 0.247 13 G C 1.224 176.099 174.900 -0.041 0.000 1.343 13 G CA 1.045 46.114 45.100 -0.051 0.000 1.368 13 G HN 1.145 nan 8.290 nan 0.000 0.549 14 G N -0.205 108.577 108.800 -0.031 0.000 2.421 14 G HA2 0.080 4.040 3.960 -0.000 0.000 0.238 14 G HA3 0.080 4.040 3.960 -0.000 0.000 0.238 14 G C 1.095 175.988 174.900 -0.011 0.000 1.544 14 G CA -0.135 44.957 45.100 -0.013 0.000 1.044 14 G HN 0.284 nan 8.290 nan 0.000 0.537 15 L N -0.859 120.366 121.223 0.003 0.000 2.253 15 L HA 0.220 4.560 4.340 -0.000 0.000 0.205 15 L C 3.030 179.908 176.870 0.014 0.000 1.078 15 L CA 1.287 56.137 54.840 0.016 0.000 0.805 15 L CB -0.199 41.877 42.059 0.030 0.000 0.963 15 L HN 0.516 nan 8.230 nan 0.000 0.459 16 A N -0.287 122.532 122.820 -0.003 0.000 1.874 16 A HA -0.005 4.314 4.320 -0.000 0.000 0.214 16 A C 2.226 179.784 177.584 -0.043 0.000 1.189 16 A CA 1.130 53.152 52.037 -0.025 0.000 0.615 16 A CB -1.235 17.738 19.000 -0.045 0.000 0.830 16 A HN 0.444 nan 8.150 nan 0.000 0.443 17 G N 0.087 108.857 108.800 -0.050 0.000 2.469 17 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 17 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 17 G C 1.529 176.404 174.900 -0.041 0.000 1.136 17 G CA 1.208 46.270 45.100 -0.063 0.000 0.759 17 G HN 0.423 nan 8.290 nan 0.000 0.562 18 L N -0.641 120.567 121.223 -0.026 0.000 2.044 18 L HA 0.050 4.390 4.340 -0.000 0.000 0.205 18 L C 2.893 179.769 176.870 0.011 0.000 1.075 18 L CA 1.030 55.859 54.840 -0.018 0.000 0.747 18 L CB -0.385 41.657 42.059 -0.028 0.000 0.903 18 L HN 0.141 nan 8.230 nan 0.000 0.435 19 R N 0.941 121.463 120.500 0.037 0.000 2.096 19 R HA -0.182 4.158 4.340 -0.000 0.000 0.240 19 R C 2.255 178.596 176.300 0.067 0.000 1.139 19 R CA 1.886 58.039 56.100 0.088 0.000 0.952 19 R CB -0.757 29.593 30.300 0.084 0.000 0.854 19 R HN 0.328 nan 8.270 nan 0.000 0.436 20 A N 0.284 123.115 122.820 0.019 0.000 1.873 20 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 20 A C 2.390 180.015 177.584 0.068 0.000 1.193 20 A CA 2.236 54.286 52.037 0.021 0.000 0.629 20 A CB -1.348 17.620 19.000 -0.053 0.000 0.826 20 A HN 0.526 nan 8.150 nan 0.000 0.447 21 A N -0.936 121.912 122.820 0.047 0.000 2.131 21 A HA 0.070 4.390 4.320 -0.000 0.000 0.220 21 A C 2.105 179.713 177.584 0.039 0.000 1.158 21 A CA 1.693 53.760 52.037 0.050 0.000 0.665 21 A CB -0.666 18.344 19.000 0.016 0.000 0.795 21 A HN 0.412 nan 8.150 nan 0.000 0.460 22 V N -0.751 119.192 119.914 0.049 0.000 2.488 22 V HA -0.117 4.003 4.120 -0.000 0.000 0.246 22 V C 2.859 179.006 176.094 0.089 0.000 1.046 22 V CA 1.606 63.939 62.300 0.055 0.000 1.053 22 V CB -0.857 31.018 31.823 0.087 0.000 0.679 22 V HN 0.563 nan 8.190 nan 0.000 0.458 23 A N 0.497 123.385 122.820 0.113 0.000 2.168 23 A HA -0.102 4.218 4.320 -0.000 0.000 0.215 23 A C 2.330 179.960 177.584 0.076 0.000 1.152 23 A CA 1.842 53.949 52.037 0.118 0.000 0.716 23 A CB -0.541 18.545 19.000 0.144 0.000 0.794 23 A HN 0.645 nan 8.150 nan 0.000 0.465 24 T N -3.714 110.875 114.554 0.059 0.000 2.988 24 T HA -0.032 4.318 4.350 -0.000 0.000 0.240 24 T C 1.900 176.597 174.700 -0.004 0.000 1.014 24 T CA 1.057 63.165 62.100 0.014 0.000 1.155 24 T CB -0.371 68.498 68.868 0.001 0.000 0.872 24 T HN 0.232 nan 8.240 nan 0.000 0.440 25 Q N 2.187 121.990 119.800 0.003 0.000 2.226 25 Q HA -0.117 4.223 4.340 -0.000 0.000 0.204 25 Q C 2.231 178.230 176.000 -0.002 0.000 0.975 25 Q CA 1.826 57.624 55.803 -0.008 0.000 0.866 25 Q CB -0.646 28.085 28.738 -0.012 0.000 0.915 25 Q HN 0.901 nan 8.270 nan 0.000 0.440 26 Q N 0.018 119.827 119.800 0.015 0.000 2.488 26 Q HA -0.084 4.256 4.340 -0.000 0.000 0.211 26 Q C 0.148 176.157 176.000 0.015 0.000 0.967 26 Q CA 1.027 56.844 55.803 0.023 0.000 0.926 26 Q CB -0.047 28.723 28.738 0.053 0.000 0.992 26 Q HN 0.309 nan 8.270 nan 0.000 0.506 27 K N -0.976 119.427 120.400 0.005 0.000 2.934 27 K HA 0.461 4.781 4.320 -0.000 0.000 0.210 27 K C 0.511 177.102 176.600 -0.015 0.000 1.122 27 K CA -0.043 56.242 56.287 -0.003 0.000 1.033 27 K CB 0.850 33.349 32.500 -0.003 0.000 0.779 27 K HN 0.179 nan 8.250 nan 0.000 0.459 28 G N 1.231 110.022 108.800 -0.015 0.000 2.320 28 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.242 28 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.242 28 G C 0.155 175.038 174.900 -0.028 0.000 1.033 28 G CA -0.079 45.009 45.100 -0.019 0.000 0.620 28 G HN 0.297 nan 8.290 nan 0.000 0.517 29 L N 2.954 124.151 121.223 -0.043 0.000 2.530 29 L HA 0.342 4.682 4.340 -0.000 0.000 0.273 29 L C 1.261 178.097 176.870 -0.057 0.000 1.141 29 L CA 0.471 55.272 54.840 -0.066 0.000 0.905 29 L CB 0.622 42.616 42.059 -0.108 0.000 1.202 29 L HN 0.523 nan 8.230 nan 0.000 0.473 30 S N 1.934 117.604 115.700 -0.051 0.000 2.481 30 S HA 0.275 4.745 4.470 -0.000 0.000 0.282 30 S C 0.258 174.815 174.600 -0.072 0.000 1.243 30 S CA -0.715 57.458 58.200 -0.044 0.000 1.078 30 S CB 0.690 63.877 63.200 -0.023 0.000 0.916 30 S HN 0.706 nan 8.310 nan 0.000 0.495 31 T N 1.444 115.969 114.554 -0.048 0.000 2.924 31 T HA 0.763 5.113 4.350 -0.000 0.000 0.291 31 T C -0.284 174.405 174.700 -0.018 0.000 1.045 31 T CA -0.988 61.088 62.100 -0.039 0.000 1.015 31 T CB 0.871 69.731 68.868 -0.014 0.000 1.103 31 T HN 0.639 nan 8.240 nan 0.000 0.496 32 I N 0.662 121.229 120.570 -0.005 0.000 3.067 32 I HA 0.693 4.863 4.170 -0.000 0.000 0.312 32 I C -1.044 175.061 176.117 -0.020 0.000 1.073 32 I CA -1.542 59.762 61.300 0.006 0.000 1.016 32 I CB 2.613 40.649 38.000 0.059 0.000 1.227 32 I HN 0.480 nan 8.210 nan 0.000 0.456 33 V N 4.536 124.421 119.914 -0.048 0.000 2.637 33 V HA 0.282 4.402 4.120 -0.000 0.000 0.274 33 V C -0.157 175.875 176.094 -0.102 0.000 1.004 33 V CA -0.477 61.783 62.300 -0.067 0.000 0.894 33 V CB 1.316 33.107 31.823 -0.053 0.000 1.046 33 V HN 0.447 nan 8.190 nan 0.000 0.467 34 L N 2.383 123.517 121.223 -0.148 0.000 2.466 34 L HA 0.764 5.104 4.340 -0.000 0.000 0.257 34 L C 0.507 177.312 176.870 -0.109 0.000 1.189 34 L CA 0.192 54.927 54.840 -0.176 0.000 0.813 34 L CB 1.388 43.296 42.059 -0.251 0.000 1.118 34 L HN 0.708 nan 8.230 nan 0.000 0.471 35 S N -0.519 115.127 115.700 -0.091 0.000 2.602 35 S HA 0.277 4.747 4.470 -0.000 0.000 0.301 35 S C 0.365 174.940 174.600 -0.043 0.000 1.091 35 S CA -0.745 57.419 58.200 -0.060 0.000 0.895 35 S CB 0.724 63.890 63.200 -0.057 0.000 1.090 35 S HN 0.577 nan 8.310 nan 0.000 0.449 36 L N 2.712 123.918 121.223 -0.029 0.000 1.970 36 L HA 0.006 4.346 4.340 -0.000 0.000 0.212 36 L C 0.706 177.567 176.870 -0.014 0.000 1.071 36 L CA 1.611 56.442 54.840 -0.014 0.000 0.751 36 L CB -0.582 41.471 42.059 -0.009 0.000 0.889 36 L HN 0.735 nan 8.230 nan 0.000 0.432 37 I N -4.380 116.180 120.570 -0.017 0.000 2.740 37 I HA 0.460 4.630 4.170 -0.000 0.000 0.303 37 I C -2.611 173.490 176.117 -0.028 0.000 1.044 37 I CA -3.225 58.065 61.300 -0.016 0.000 1.064 37 I CB 0.417 38.413 38.000 -0.007 0.000 1.249 37 I HN -0.200 nan 8.210 nan 0.000 0.433 38 P HA -0.129 nan 4.420 nan 0.000 0.261 38 P C 1.247 178.507 177.300 -0.066 0.000 1.158 38 P CA 0.221 63.288 63.100 -0.054 0.000 0.758 38 P CB 0.573 32.239 31.700 -0.056 0.000 0.763 39 V N 3.390 123.253 119.914 -0.085 0.000 2.233 39 V HA -0.347 3.773 4.120 -0.000 0.000 0.252 39 V C 1.980 178.006 176.094 -0.113 0.000 1.063 39 V CA 2.377 64.621 62.300 -0.093 0.000 1.032 39 V CB -1.982 29.776 31.823 -0.108 0.000 0.645 39 V HN 0.556 nan 8.190 nan 0.000 0.446 40 K N 0.641 120.918 120.400 -0.206 0.000 2.589 40 K HA -0.087 4.233 4.320 -0.000 0.000 0.195 40 K C 1.708 178.272 176.600 -0.060 0.000 1.040 40 K CA 1.355 57.468 56.287 -0.289 0.000 0.950 40 K CB -0.451 31.589 32.500 -0.766 0.000 0.781 40 K HN 0.540 nan 8.250 nan 0.000 0.486 41 R N 0.851 121.336 120.500 -0.025 0.000 2.509 41 R HA 0.182 4.521 4.340 -0.000 0.000 0.300 41 R C 0.016 176.341 176.300 0.043 0.000 0.985 41 R CA -0.231 55.891 56.100 0.037 0.000 1.092 41 R CB 0.667 30.981 30.300 0.022 0.000 1.237 41 R HN 0.027 nan 8.270 nan 0.000 0.546 42 S N 0.114 115.831 115.700 0.028 0.000 2.680 42 S HA -0.108 4.362 4.470 -0.000 0.000 0.249 42 S C 0.996 175.649 174.600 0.088 0.000 1.358 42 S CA 0.021 58.248 58.200 0.046 0.000 0.963 42 S CB 0.302 63.516 63.200 0.024 0.000 0.984 42 S HN 0.401 nan 8.310 nan 0.000 0.584 43 H N -0.104 118.965 119.070 -0.002 0.000 2.551 43 H HA 0.244 4.800 4.556 -0.000 0.000 0.266 43 H C 1.850 177.185 175.328 0.011 0.000 0.964 43 H CA 1.104 57.151 56.048 -0.002 0.000 1.180 43 H CB -0.227 29.521 29.762 -0.023 0.000 1.408 43 H HN 0.357 nan 8.280 nan 0.000 0.563 44 S N -0.058 115.613 115.700 -0.049 0.000 2.368 44 S HA -0.140 4.330 4.470 -0.000 0.000 0.224 44 S C 2.439 176.988 174.600 -0.085 0.000 1.029 44 S CA 0.797 58.954 58.200 -0.072 0.000 0.988 44 S CB -0.505 62.693 63.200 -0.003 0.000 0.838 44 S HN 0.656 nan 8.310 nan 0.000 0.462 45 A N 1.699 124.503 122.820 -0.027 0.000 1.940 45 A HA -0.106 4.214 4.320 -0.000 0.000 0.221 45 A C 2.006 179.578 177.584 -0.020 0.000 1.190 45 A CA 1.781 53.836 52.037 0.030 0.000 0.647 45 A CB -0.978 18.097 19.000 0.125 0.000 0.821 45 A HN 0.571 nan 8.150 nan 0.000 0.457 46 A N -0.757 121.981 122.820 -0.136 0.000 2.223 46 A HA 0.538 4.858 4.320 -0.000 0.000 0.222 46 A C 0.911 178.394 177.584 -0.168 0.000 1.317 46 A CA 0.546 52.480 52.037 -0.172 0.000 0.985 46 A CB -1.293 17.554 19.000 -0.254 0.000 0.858 46 A HN 1.064 nan 8.150 nan 0.000 0.496 47 A N -0.188 122.565 122.820 -0.112 0.000 2.354 47 A HA 0.508 4.828 4.320 -0.000 0.000 0.281 47 A C 0.940 178.498 177.584 -0.043 0.000 1.174 47 A CA -0.473 51.524 52.037 -0.066 0.000 0.828 47 A CB 0.357 19.334 19.000 -0.039 0.000 1.099 47 A HN 0.511 nan 8.150 nan 0.000 0.516 48 Q N 2.743 122.526 119.800 -0.029 0.000 2.010 48 Q HA 0.070 4.410 4.340 -0.000 0.000 0.215 48 Q C 2.173 178.176 176.000 0.005 0.000 0.984 48 Q CA 1.009 56.801 55.803 -0.018 0.000 0.853 48 Q CB -1.008 27.716 28.738 -0.023 0.000 0.922 48 Q HN 0.892 nan 8.270 nan 0.000 0.478 49 G N 0.639 109.481 108.800 0.071 0.000 2.875 49 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.227 49 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.227 49 G C 0.643 175.428 174.900 -0.190 0.000 1.259 49 G CA 1.661 46.765 45.100 0.007 0.000 0.780 49 G HN 0.676 nan 8.290 nan 0.000 0.685 50 G N -2.384 106.267 108.800 -0.248 0.000 2.323 50 G HA2 0.427 4.387 3.960 -0.000 0.000 0.291 50 G HA3 0.427 4.387 3.960 -0.000 0.000 0.291 50 G C -1.176 173.681 174.900 -0.071 0.000 1.278 50 G CA 0.005 45.046 45.100 -0.099 0.000 0.860 50 G HN 0.705 nan 8.290 nan 0.000 0.504 51 M N 0.833 120.473 119.600 0.065 0.000 2.294 51 M HA 0.623 5.103 4.480 -0.000 0.000 0.335 51 M C -0.426 175.891 176.300 0.028 0.000 1.079 51 M CA -0.645 54.711 55.300 0.094 0.000 0.982 51 M CB 1.882 34.622 32.600 0.233 0.000 1.651 51 M HN 0.601 nan 8.290 nan 0.000 0.437 52 Q N 3.323 123.156 119.800 0.056 0.000 2.314 52 Q HA 0.712 5.052 4.340 -0.000 0.000 0.259 52 Q C -1.793 174.276 176.000 0.116 0.000 0.951 52 Q CA -0.443 55.380 55.803 0.033 0.000 0.909 52 Q CB 1.503 30.268 28.738 0.046 0.000 1.236 52 Q HN 0.794 nan 8.270 nan 0.000 0.444 53 A N 2.446 125.258 122.820 -0.013 0.000 2.427 53 A HA 0.379 4.699 4.320 -0.000 0.000 0.298 53 A C -0.266 177.289 177.584 -0.049 0.000 1.036 53 A CA -0.708 51.333 52.037 0.007 0.000 0.701 53 A CB 1.449 20.400 19.000 -0.082 0.000 1.250 53 A HN 0.813 nan 8.150 nan 0.000 0.412 54 S N 2.478 118.216 115.700 0.063 0.000 3.988 54 S HA 0.077 4.547 4.470 -0.000 0.000 0.180 54 S C 0.878 175.465 174.600 -0.022 0.000 1.242 54 S CA -0.030 58.188 58.200 0.029 0.000 0.947 54 S CB -0.704 62.575 63.200 0.133 0.000 1.519 54 S HN 0.680 nan 8.310 nan 0.000 0.439 55 L N 2.560 123.747 121.223 -0.059 0.000 2.022 55 L HA 0.335 4.675 4.340 -0.000 0.000 0.204 55 L C 2.025 178.862 176.870 -0.055 0.000 1.076 55 L CA 2.239 57.032 54.840 -0.078 0.000 0.749 55 L CB -1.233 40.749 42.059 -0.128 0.000 0.903 55 L HN 0.814 nan 8.230 nan 0.000 0.439 56 G N -0.972 107.801 108.800 -0.046 0.000 2.149 56 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.235 56 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.235 56 G C 0.745 175.612 174.900 -0.054 0.000 1.018 56 G CA 0.669 45.748 45.100 -0.034 0.000 0.728 56 G HN 0.482 nan 8.290 nan 0.000 0.508 57 N N -0.398 118.249 118.700 -0.088 0.000 2.245 57 N HA 0.058 4.798 4.740 -0.000 0.000 0.185 57 N C 1.566 176.969 175.510 -0.178 0.000 1.036 57 N CA 0.607 53.584 53.050 -0.122 0.000 0.857 57 N CB -0.016 38.383 38.487 -0.145 0.000 1.015 57 N HN 0.403 nan 8.380 nan 0.000 0.436 58 S N 1.257 116.835 115.700 -0.203 0.000 2.566 58 S HA -0.058 4.412 4.470 -0.000 0.000 0.280 58 S C 1.141 175.611 174.600 -0.218 0.000 1.343 58 S CA -0.158 57.877 58.200 -0.274 0.000 1.036 58 S CB 1.080 64.142 63.200 -0.229 0.000 0.866 58 S HN 0.202 nan 8.310 nan 0.000 0.526 59 K N 2.902 123.151 120.400 -0.253 0.000 2.286 59 K HA -0.110 4.210 4.320 -0.000 0.000 0.203 59 K C 1.429 177.883 176.600 -0.243 0.000 1.045 59 K CA 2.010 58.161 56.287 -0.227 0.000 0.935 59 K CB -0.126 32.241 32.500 -0.223 0.000 0.737 59 K HN 0.632 nan 8.250 nan 0.000 0.460 60 M N -0.716 118.704 119.600 -0.300 0.000 2.552 60 M HA 0.141 4.621 4.480 -0.000 0.000 0.264 60 M C 1.777 178.010 176.300 -0.111 0.000 1.159 60 M CA 0.866 55.922 55.300 -0.407 0.000 1.176 60 M CB -0.565 31.421 32.600 -1.023 0.000 1.327 60 M HN 0.008 nan 8.290 nan 0.000 0.481 61 S N 0.641 116.329 115.700 -0.019 0.000 2.507 61 S HA -0.072 4.397 4.470 -0.000 0.000 0.235 61 S C 0.760 175.354 174.600 -0.010 0.000 0.988 61 S CA 0.147 58.366 58.200 0.030 0.000 0.944 61 S CB -0.606 62.595 63.200 0.002 0.000 0.762 61 S HN 0.467 nan 8.310 nan 0.000 0.526 62 D N 1.284 121.655 120.400 -0.048 0.000 2.583 62 D HA 0.033 4.673 4.640 -0.000 0.000 0.232 62 D C 1.271 177.568 176.300 -0.006 0.000 1.128 62 D CA 1.373 55.352 54.000 -0.035 0.000 0.859 62 D CB 0.265 41.031 40.800 -0.058 0.000 1.169 62 D HN 0.388 nan 8.370 nan 0.000 0.481 63 G N 3.509 112.314 108.800 0.008 0.000 2.189 63 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.267 63 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.267 63 G C 0.412 175.327 174.900 0.025 0.000 0.975 63 G CA 0.517 45.628 45.100 0.018 0.000 0.644 63 G HN 0.704 nan 8.290 nan 0.000 0.537 64 D N 0.933 121.347 120.400 0.023 0.000 2.361 64 D HA 0.518 5.158 4.640 -0.000 0.000 0.239 64 D C 0.692 177.012 176.300 0.034 0.000 1.200 64 D CA 0.728 54.747 54.000 0.031 0.000 0.915 64 D CB 0.550 41.362 40.800 0.020 0.000 1.170 64 D HN 0.808 nan 8.370 nan 0.000 0.444 65 N N -1.084 117.648 118.700 0.052 0.000 3.355 65 N HA 0.091 4.831 4.740 -0.000 0.000 0.238 65 N C 0.012 175.577 175.510 0.091 0.000 1.466 65 N CA -0.559 52.527 53.050 0.060 0.000 0.882 65 N CB 0.427 38.946 38.487 0.052 0.000 1.406 65 N HN 0.076 nan 8.380 nan 0.000 0.500 66 E N 0.072 120.318 120.200 0.077 0.000 2.048 66 E HA -0.230 4.120 4.350 -0.000 0.000 0.202 66 E C 0.529 177.215 176.600 0.142 0.000 1.021 66 E CA 2.337 58.776 56.400 0.066 0.000 0.825 66 E CB -0.323 29.397 29.700 0.034 0.000 0.756 66 E HN 0.608 nan 8.360 nan 0.000 0.454 67 D N 0.394 120.879 120.400 0.142 0.000 2.126 67 D HA -0.210 4.430 4.640 -0.000 0.000 0.190 67 D C 2.141 178.587 176.300 0.243 0.000 1.001 67 D CA 1.231 55.361 54.000 0.218 0.000 0.841 67 D CB -0.403 40.477 40.800 0.134 0.000 0.949 67 D HN 0.191 nan 8.370 nan 0.000 0.446 68 L N -0.106 121.216 121.223 0.164 0.000 1.994 68 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 68 L C 2.643 179.622 176.870 0.181 0.000 1.071 68 L CA 1.348 56.270 54.840 0.137 0.000 0.745 68 L CB -0.823 41.296 42.059 0.100 0.000 0.892 68 L HN 0.194 nan 8.230 nan 0.000 0.431 69 H N -0.541 118.576 119.070 0.078 0.000 2.290 69 H HA -0.272 4.284 4.556 -0.000 0.000 0.298 69 H C 2.271 177.666 175.328 0.111 0.000 1.087 69 H CA 1.803 57.892 56.048 0.067 0.000 1.291 69 H CB 0.026 29.792 29.762 0.006 0.000 1.369 69 H HN 0.209 nan 8.280 nan 0.000 0.492 70 F N 1.365 121.360 119.950 0.075 0.000 2.032 70 F HA -0.386 4.141 4.527 -0.000 0.000 0.297 70 F C 2.674 178.486 175.800 0.021 0.000 1.125 70 F CA 2.363 60.360 58.000 -0.005 0.000 1.202 70 F CB -0.946 38.056 39.000 0.003 0.000 0.958 70 F HN 0.263 nan 8.300 nan 0.000 0.491 71 M N 0.000 119.508 119.600 -0.155 0.000 2.065 71 M HA -0.262 4.218 4.480 -0.000 0.000 0.259 71 M C 1.938 178.120 176.300 -0.196 0.000 1.069 71 M CA 2.542 57.669 55.300 -0.290 0.000 1.110 71 M CB -0.692 31.853 32.600 -0.091 0.000 1.328 71 M HN 0.148 nan 8.290 nan 0.000 0.405 72 D N -0.011 120.372 120.400 -0.029 0.000 2.149 72 D HA -0.173 4.467 4.640 -0.000 0.000 0.194 72 D C 1.735 178.034 176.300 -0.002 0.000 1.001 72 D CA 2.107 56.117 54.000 0.018 0.000 0.849 72 D CB -0.160 40.697 40.800 0.094 0.000 0.939 72 D HN 0.454 nan 8.370 nan 0.000 0.449 73 T N -0.770 113.799 114.554 0.026 0.000 2.698 73 T HA -0.087 4.263 4.350 -0.000 0.000 0.260 73 T C 2.185 176.776 174.700 -0.182 0.000 1.044 73 T CA 1.155 63.257 62.100 0.004 0.000 1.149 73 T CB -0.467 68.446 68.868 0.075 0.000 0.864 73 T HN -0.040 nan 8.240 nan 0.000 0.419 74 V N 2.111 121.810 119.914 -0.358 0.000 2.287 74 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 74 V C 2.431 178.033 176.094 -0.819 0.000 1.053 74 V CA 1.603 63.561 62.300 -0.571 0.000 1.027 74 V CB -0.614 30.755 31.823 -0.756 0.000 0.646 74 V HN 0.501 nan 8.190 nan 0.000 0.447 75 K N 0.553 120.510 120.400 -0.737 0.000 2.148 75 K HA -0.071 4.249 4.320 -0.000 0.000 0.204 75 K C 2.255 178.497 176.600 -0.597 0.000 1.050 75 K CA 1.410 57.167 56.287 -0.884 0.000 0.942 75 K CB -0.572 31.621 32.500 -0.511 0.000 0.724 75 K HN 0.558 nan 8.250 nan 0.000 0.446 76 G N 1.689 110.305 108.800 -0.307 0.000 2.443 76 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.219 76 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.219 76 G C 1.519 176.365 174.900 -0.091 0.000 1.131 76 G CA 0.904 45.954 45.100 -0.084 0.000 0.775 76 G HN 0.401 nan 8.290 nan 0.000 0.547 77 S N 0.134 115.719 115.700 -0.191 0.000 2.595 77 S HA -0.022 4.448 4.470 -0.000 0.000 0.235 77 S C 1.101 175.677 174.600 -0.041 0.000 0.974 77 S CA 1.059 59.204 58.200 -0.090 0.000 0.942 77 S CB -0.163 62.952 63.200 -0.141 0.000 0.766 77 S HN 0.360 nan 8.310 nan 0.000 0.536 78 D N 0.404 120.707 120.400 -0.162 0.000 2.811 78 D HA -0.215 4.425 4.640 -0.000 0.000 0.231 78 D C -0.783 175.633 176.300 0.193 0.000 1.157 78 D CA 1.124 55.125 54.000 0.002 0.000 0.716 78 D CB -1.996 38.860 40.800 0.094 0.000 1.077 78 D HN 0.653 nan 8.370 nan 0.000 0.428 79 W N -1.875 119.418 121.300 -0.011 0.000 5.157 79 W HA -0.150 4.510 4.660 -0.000 0.000 0.434 79 W C 1.100 177.664 176.519 0.074 0.000 1.779 79 W CA 0.833 58.180 57.345 0.004 0.000 0.837 79 W CB -1.673 27.757 29.460 -0.050 0.000 2.912 79 W HN 0.468 nan 8.180 nan 0.000 1.057 80 G N -0.350 108.617 108.800 0.278 0.000 4.517 80 G HA2 0.313 4.273 3.960 -0.000 0.000 0.258 80 G HA3 0.313 4.273 3.960 -0.000 0.000 0.258 80 G C -0.127 174.948 174.900 0.292 0.000 1.038 80 G CA 0.390 45.709 45.100 0.366 0.000 0.810 80 G HN 0.611 nan 8.290 nan 0.000 0.383 81 C N -0.684 118.719 119.300 0.172 0.000 2.505 81 C HA 0.790 5.250 4.460 -0.000 0.000 0.358 81 C C -0.716 174.320 174.990 0.077 0.000 1.226 81 C CA -1.052 58.019 59.018 0.089 0.000 1.900 81 C CB 2.127 29.871 27.740 0.007 0.000 2.306 81 C HN 0.164 nan 8.230 nan 0.000 0.512 82 D N 2.167 122.582 120.400 0.026 0.000 2.441 82 D HA 0.134 4.774 4.640 -0.000 0.000 0.221 82 D C 1.102 177.415 176.300 0.021 0.000 1.156 82 D CA 0.170 54.185 54.000 0.026 0.000 0.896 82 D CB 1.255 42.053 40.800 -0.004 0.000 1.028 82 D HN 0.596 nan 8.370 nan 0.000 0.509 83 Q N 1.729 121.590 119.800 0.101 0.000 2.156 83 Q HA -0.227 4.112 4.340 -0.000 0.000 0.211 83 Q C 1.383 177.485 176.000 0.170 0.000 0.995 83 Q CA 1.398 57.326 55.803 0.209 0.000 0.877 83 Q CB -0.010 28.894 28.738 0.277 0.000 0.920 83 Q HN 0.506 nan 8.270 nan 0.000 0.416 84 K N -0.047 120.402 120.400 0.083 0.000 2.365 84 K HA 0.004 4.324 4.320 -0.000 0.000 0.199 84 K C 2.003 178.571 176.600 -0.054 0.000 1.045 84 K CA 0.836 57.155 56.287 0.054 0.000 0.962 84 K CB 0.086 32.626 32.500 0.066 0.000 0.759 84 K HN -0.004 nan 8.250 nan 0.000 0.469 85 V N 1.779 121.612 119.914 -0.135 0.000 2.331 85 V HA -0.100 4.020 4.120 -0.000 0.000 0.242 85 V C 2.440 178.310 176.094 -0.374 0.000 1.034 85 V CA 1.748 63.824 62.300 -0.374 0.000 1.027 85 V CB -0.392 31.052 31.823 -0.633 0.000 0.667 85 V HN 0.351 nan 8.190 nan 0.000 0.457 86 A N -0.385 122.312 122.820 -0.204 0.000 2.084 86 A HA -0.230 4.090 4.320 -0.000 0.000 0.221 86 A C 2.308 179.899 177.584 0.011 0.000 1.161 86 A CA 1.571 53.595 52.037 -0.022 0.000 0.653 86 A CB -0.440 18.625 19.000 0.108 0.000 0.802 86 A HN 0.342 nan 8.150 nan 0.000 0.457 87 R N -0.921 119.475 120.500 -0.173 0.000 2.062 87 R HA 0.091 4.431 4.340 -0.000 0.000 0.226 87 R C 2.182 178.009 176.300 -0.789 0.000 1.125 87 R CA 1.472 57.274 56.100 -0.496 0.000 0.966 87 R CB -0.683 29.370 30.300 -0.411 0.000 0.861 87 R HN 0.669 nan 8.270 nan 0.000 0.433 88 M N -0.242 118.949 119.600 -0.682 0.000 2.065 88 M HA -0.216 4.264 4.480 -0.000 0.000 0.259 88 M C 2.063 178.185 176.300 -0.297 0.000 1.069 88 M CA 1.791 56.767 55.300 -0.539 0.000 1.110 88 M CB -0.658 31.842 32.600 -0.166 0.000 1.328 88 M HN 0.024 nan 8.290 nan 0.000 0.405 89 F N 1.919 121.670 119.950 -0.333 0.000 2.008 89 F HA -0.276 4.251 4.527 -0.000 0.000 0.297 89 F C 2.358 178.020 175.800 -0.231 0.000 1.156 89 F CA 2.220 60.085 58.000 -0.226 0.000 1.191 89 F CB -1.326 37.510 39.000 -0.274 0.000 0.955 89 F HN 0.054 nan 8.300 nan 0.000 0.497 90 V N 0.074 119.312 119.914 -1.126 0.000 2.311 90 V HA -0.396 3.724 4.120 -0.000 0.000 0.256 90 V C 2.184 177.940 176.094 -0.562 0.000 1.077 90 V CA 2.603 64.245 62.300 -1.097 0.000 1.067 90 V CB -1.526 29.919 31.823 -0.630 0.000 0.659 90 V HN 0.713 nan 8.190 nan 0.000 0.451 91 N N -0.039 118.428 118.700 -0.389 0.000 2.571 91 N HA -0.039 4.701 4.740 -0.000 0.000 0.189 91 N C 1.294 176.705 175.510 -0.164 0.000 1.154 91 N CA 1.384 54.312 53.050 -0.202 0.000 0.907 91 N CB 0.140 38.555 38.487 -0.120 0.000 0.977 91 N HN 0.774 nan 8.380 nan 0.000 0.449 92 T N -1.358 113.059 114.554 -0.228 0.000 2.989 92 T HA 0.240 4.590 4.350 -0.000 0.000 0.250 92 T C 1.847 176.448 174.700 -0.165 0.000 0.981 92 T CA 0.323 62.325 62.100 -0.163 0.000 0.980 92 T CB 0.101 68.881 68.868 -0.146 0.000 1.133 92 T HN 0.174 nan 8.240 nan 0.000 0.489 93 A N 2.842 125.530 122.820 -0.220 0.000 1.896 93 A HA -0.096 4.224 4.320 -0.000 0.000 0.220 93 A C -0.102 177.413 177.584 -0.116 0.000 1.206 93 A CA 1.857 53.823 52.037 -0.119 0.000 0.647 93 A CB -1.783 17.110 19.000 -0.178 0.000 0.828 93 A HN 0.354 nan 8.150 nan 0.000 0.455 94 P HA -0.229 nan 4.420 nan 0.000 0.215 94 P C 1.188 178.407 177.300 -0.134 0.000 1.163 94 P CA 2.118 65.141 63.100 -0.129 0.000 0.894 94 P CB -0.178 31.461 31.700 -0.103 0.000 0.791 95 K N -1.137 119.196 120.400 -0.111 0.000 2.486 95 K HA 0.206 4.526 4.320 -0.000 0.000 0.194 95 K C 1.789 178.312 176.600 -0.128 0.000 1.033 95 K CA 1.015 57.245 56.287 -0.096 0.000 1.004 95 K CB -0.443 32.034 32.500 -0.038 0.000 0.798 95 K HN -0.006 nan 8.250 nan 0.000 0.495 96 A N 1.756 124.492 122.820 -0.141 0.000 1.887 96 A HA 0.095 4.415 4.320 -0.000 0.000 0.212 96 A C 2.059 179.564 177.584 -0.132 0.000 1.198 96 A CA 0.403 52.354 52.037 -0.143 0.000 0.628 96 A CB -0.372 18.571 19.000 -0.095 0.000 0.847 96 A HN 0.277 nan 8.150 nan 0.000 0.449 97 I N -0.778 119.700 120.570 -0.153 0.000 2.361 97 I HA -0.232 3.938 4.170 -0.000 0.000 0.251 97 I C 2.715 178.664 176.117 -0.279 0.000 1.133 97 I CA 1.031 62.179 61.300 -0.253 0.000 1.413 97 I CB -0.075 37.653 38.000 -0.453 0.000 1.073 97 I HN 0.297 nan 8.210 nan 0.000 0.424 98 R N 0.147 120.508 120.500 -0.231 0.000 2.073 98 R HA -0.190 4.150 4.340 -0.000 0.000 0.229 98 R C 2.192 178.391 176.300 -0.168 0.000 1.120 98 R CA 1.400 57.385 56.100 -0.191 0.000 0.967 98 R CB -0.222 29.987 30.300 -0.153 0.000 0.862 98 R HN 0.347 nan 8.270 nan 0.000 0.436 99 E N 0.812 120.867 120.200 -0.241 0.000 2.038 99 E HA -0.226 4.124 4.350 -0.000 0.000 0.195 99 E C 1.890 178.201 176.600 -0.483 0.000 1.000 99 E CA 1.250 57.378 56.400 -0.453 0.000 0.803 99 E CB -0.037 29.303 29.700 -0.601 0.000 0.750 99 E HN 0.229 nan 8.360 nan 0.000 0.448 100 L N 0.418 121.516 121.223 -0.208 0.000 1.971 100 L HA -0.267 4.073 4.340 -0.000 0.000 0.215 100 L C 2.713 179.772 176.870 0.316 0.000 1.072 100 L CA 1.428 56.352 54.840 0.141 0.000 0.758 100 L CB -0.711 41.606 42.059 0.430 0.000 0.889 100 L HN 0.252 nan 8.230 nan 0.000 0.433 101 A N -0.344 122.757 122.820 0.468 0.000 2.084 101 A HA -0.188 4.132 4.320 -0.000 0.000 0.221 101 A C 2.312 180.035 177.584 0.232 0.000 1.161 101 A CA 1.889 54.220 52.037 0.490 0.000 0.653 101 A CB -0.622 18.550 19.000 0.286 0.000 0.802 101 A HN 0.502 nan 8.150 nan 0.000 0.457 102 A N -2.795 120.093 122.820 0.114 0.000 2.178 102 A HA 0.146 4.466 4.320 -0.000 0.000 0.211 102 A C 1.492 179.224 177.584 0.246 0.000 1.157 102 A CA 0.401 52.499 52.037 0.101 0.000 0.780 102 A CB -0.396 18.600 19.000 -0.006 0.000 0.828 102 A HN 0.675 nan 8.150 nan 0.000 0.476 103 W N -0.761 120.594 121.300 0.093 0.000 3.290 103 W HA 0.379 5.039 4.660 -0.000 0.000 0.287 103 W C 1.493 178.043 176.519 0.052 0.000 1.288 103 W CA 0.346 57.731 57.345 0.067 0.000 1.725 103 W CB -0.096 29.405 29.460 0.068 0.000 1.103 103 W HN 0.481 nan 8.180 nan 0.000 0.670 104 G N -0.899 108.060 108.800 0.266 0.000 3.435 104 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.197 104 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.197 104 G C -0.004 174.949 174.900 0.088 0.000 1.497 104 G CA -0.363 44.825 45.100 0.148 0.000 1.043 104 G HN -0.124 nan 8.290 nan 0.000 0.466 105 V N 3.928 123.876 119.914 0.056 0.000 3.084 105 V HA 0.103 4.223 4.120 -0.000 0.000 0.286 105 V C -1.472 174.482 176.094 -0.233 0.000 1.236 105 V CA 1.071 63.266 62.300 -0.175 0.000 1.329 105 V CB -0.151 31.498 31.823 -0.289 0.000 0.795 105 V HN 0.531 nan 8.190 nan 0.000 0.435 106 P HA 0.210 nan 4.420 nan 0.000 0.258 106 P C -0.810 176.399 177.300 -0.151 0.000 1.647 106 P CA -0.518 62.514 63.100 -0.114 0.000 1.099 106 P CB 0.226 31.886 31.700 -0.067 0.000 1.604 107 W N 1.776 123.069 121.300 -0.012 0.000 2.345 107 W HA 0.182 4.842 4.660 -0.000 0.000 0.308 107 W C 0.797 177.276 176.519 -0.065 0.000 1.273 107 W CA -0.013 57.305 57.345 -0.045 0.000 1.243 107 W CB 0.099 29.517 29.460 -0.070 0.000 1.260 107 W HN 0.181 nan 8.180 nan 0.000 0.509 108 T N 6.185 120.814 114.554 0.125 0.000 2.738 108 T HA -0.021 4.329 4.350 -0.000 0.000 0.277 108 T C 0.613 175.326 174.700 0.022 0.000 0.981 108 T CA -0.027 62.111 62.100 0.063 0.000 1.211 108 T CB -0.364 68.587 68.868 0.139 0.000 0.932 108 T HN 0.263 nan 8.240 nan 0.000 0.522 109 R N 3.402 123.948 120.500 0.078 0.000 2.674 109 R HA 0.535 4.875 4.340 -0.000 0.000 0.266 109 R C 0.035 176.439 176.300 0.172 0.000 1.016 109 R CA -1.004 55.144 56.100 0.080 0.000 1.062 109 R CB 1.029 31.336 30.300 0.012 0.000 1.142 109 R HN 0.460 nan 8.270 nan 0.000 0.517 110 I N 1.587 122.216 120.570 0.098 0.000 2.752 110 I HA -0.017 4.153 4.170 -0.000 0.000 0.287 110 I C 0.783 176.981 176.117 0.135 0.000 1.188 110 I CA 0.511 61.865 61.300 0.089 0.000 1.427 110 I CB 0.088 37.948 38.000 -0.233 0.000 1.365 110 I HN 0.397 nan 8.210 nan 0.000 0.585 111 H N 6.334 125.500 119.070 0.160 0.000 2.529 111 H HA 0.294 4.850 4.556 -0.000 0.000 0.348 111 H C -0.717 174.752 175.328 0.235 0.000 1.079 111 H CA -0.954 55.279 56.048 0.309 0.000 1.198 111 H CB 1.523 31.414 29.762 0.214 0.000 1.521 111 H HN 0.530 nan 8.280 nan 0.000 0.514 112 K N 2.641 122.950 120.400 -0.151 0.000 2.466 112 K HA 0.209 4.529 4.320 -0.000 0.000 0.278 112 K C 0.175 176.714 176.600 -0.102 0.000 1.048 112 K CA 1.274 57.401 56.287 -0.267 0.000 1.088 112 K CB 0.172 32.339 32.500 -0.555 0.000 0.884 112 K HN 0.919 nan 8.250 nan 0.000 0.478 113 G N 3.284 112.073 108.800 -0.018 0.000 2.361 113 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.331 113 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.331 113 G C -1.805 173.123 174.900 0.048 0.000 1.324 113 G CA -1.140 43.983 45.100 0.039 0.000 0.984 113 G HN 0.579 nan 8.290 nan 0.000 0.586 114 D N 0.529 120.958 120.400 0.048 0.000 2.264 114 D HA 0.593 5.233 4.640 -0.000 0.000 0.250 114 D C 0.991 177.324 176.300 0.054 0.000 1.113 114 D CA -0.010 54.014 54.000 0.039 0.000 0.871 114 D CB 1.247 42.066 40.800 0.030 0.000 1.167 114 D HN 0.522 nan 8.370 nan 0.000 0.447 115 R N 1.441 121.973 120.500 0.053 0.000 2.603 115 R HA 0.583 4.923 4.340 -0.000 0.000 0.225 115 R C -0.070 176.263 176.300 0.055 0.000 1.300 115 R CA -0.777 55.358 56.100 0.058 0.000 1.075 115 R CB 0.643 30.993 30.300 0.083 0.000 1.663 115 R HN 0.328 nan 8.270 nan 0.000 0.546 116 M N 1.226 120.863 119.600 0.063 0.000 3.053 116 M HA 0.320 4.800 4.480 -0.000 0.000 0.293 116 M C -1.136 175.255 176.300 0.152 0.000 1.470 116 M CA -0.558 54.802 55.300 0.100 0.000 0.582 116 M CB 0.950 33.620 32.600 0.117 0.000 1.435 116 M HN 0.697 nan 8.290 nan 0.000 0.451 117 A N 1.008 123.917 122.820 0.147 0.000 2.492 117 A HA 0.367 4.687 4.320 -0.000 0.000 0.236 117 A C 1.139 178.834 177.584 0.185 0.000 1.078 117 A CA 0.120 52.278 52.037 0.203 0.000 0.773 117 A CB 0.411 19.543 19.000 0.219 0.000 1.023 117 A HN 0.646 nan 8.150 nan 0.000 0.504 118 I N 0.561 121.247 120.570 0.194 0.000 3.790 118 I HA 0.058 4.228 4.170 -0.000 0.000 0.305 118 I C 0.838 177.030 176.117 0.125 0.000 1.253 118 I CA 0.333 61.714 61.300 0.135 0.000 1.355 118 I CB -0.888 37.174 38.000 0.103 0.000 1.137 118 I HN 0.550 nan 8.210 nan 0.000 0.435 119 I N 1.809 122.481 120.570 0.171 0.000 5.041 119 I HA -0.460 3.710 4.170 -0.000 0.000 0.043 119 I C 1.761 177.932 176.117 0.090 0.000 0.705 119 I CA 1.918 63.315 61.300 0.163 0.000 0.577 119 I CB -1.621 36.473 38.000 0.157 0.000 0.733 119 I HN 0.377 nan 8.210 nan 0.000 0.164 120 N N 2.091 120.836 118.700 0.076 0.000 2.245 120 N HA 0.045 4.785 4.740 -0.000 0.000 0.185 120 N C 1.549 177.084 175.510 0.042 0.000 1.036 120 N CA 1.559 54.636 53.050 0.045 0.000 0.857 120 N CB -0.683 37.828 38.487 0.040 0.000 1.015 120 N HN 0.713 nan 8.380 nan 0.000 0.436 121 A N 0.682 123.531 122.820 0.048 0.000 1.824 121 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 121 A C 1.089 178.700 177.584 0.044 0.000 1.209 121 A CA 2.476 54.539 52.037 0.042 0.000 0.614 121 A CB -0.612 18.414 19.000 0.043 0.000 0.852 121 A HN 0.772 nan 8.150 nan 0.000 0.447 122 Q N -3.493 116.339 119.800 0.053 0.000 2.894 122 Q HA 0.360 4.700 4.340 -0.000 0.000 0.328 122 Q C -1.446 174.594 176.000 0.067 0.000 0.807 122 Q CA -1.213 54.622 55.803 0.053 0.000 0.831 122 Q CB 0.367 29.130 28.738 0.041 0.000 1.389 122 Q HN 0.133 nan 8.270 nan 0.000 0.489 123 K N 0.928 121.368 120.400 0.066 0.000 2.547 123 K HA -0.065 4.255 4.320 -0.000 0.000 0.275 123 K C 0.181 176.824 176.600 0.071 0.000 1.001 123 K CA 1.609 57.943 56.287 0.078 0.000 1.111 123 K CB -0.085 32.456 32.500 0.068 0.000 0.832 123 K HN 0.908 nan 8.250 nan 0.000 0.485 124 T N -3.270 111.330 114.554 0.078 0.000 3.130 124 T HA 0.011 4.361 4.350 -0.000 0.000 0.288 124 T C -0.144 174.586 174.700 0.050 0.000 0.936 124 T CA -0.336 61.801 62.100 0.062 0.000 0.897 124 T CB 0.037 68.946 68.868 0.069 0.000 1.178 124 T HN 0.524 nan 8.240 nan 0.000 0.543 125 T N 2.615 117.204 114.554 0.057 0.000 2.413 125 T HA -0.140 4.210 4.350 -0.000 0.000 0.516 125 T C -0.060 174.655 174.700 0.025 0.000 0.823 125 T CA 0.279 62.405 62.100 0.044 0.000 2.731 125 T CB -1.619 67.271 68.868 0.037 0.000 1.694 125 T HN 0.572 nan 8.240 nan 0.000 0.469 126 I N 1.669 122.251 120.570 0.021 0.000 2.577 126 I HA 0.525 4.695 4.170 -0.000 0.000 0.300 126 I C 0.933 177.044 176.117 -0.010 0.000 0.990 126 I CA -0.308 60.982 61.300 -0.016 0.000 1.283 126 I CB 1.786 39.758 38.000 -0.047 0.000 1.411 126 I HN 0.485 nan 8.210 nan 0.000 0.515 127 T N 4.734 119.267 114.554 -0.034 0.000 2.949 127 T HA 0.244 4.594 4.350 -0.000 0.000 0.300 127 T C -0.672 173.990 174.700 -0.063 0.000 0.988 127 T CA -0.758 61.326 62.100 -0.028 0.000 0.993 127 T CB 0.461 69.319 68.868 -0.016 0.000 0.984 127 T HN 0.445 nan 8.240 nan 0.000 0.442 128 E N 3.906 124.066 120.200 -0.066 0.000 2.313 128 E HA 0.314 4.664 4.350 -0.000 0.000 0.276 128 E C 0.428 176.938 176.600 -0.151 0.000 1.031 128 E CA -0.396 55.924 56.400 -0.134 0.000 0.857 128 E CB 1.414 31.045 29.700 -0.115 0.000 1.040 128 E HN 0.673 nan 8.360 nan 0.000 0.408 129 E N 1.301 121.348 120.200 -0.255 0.000 4.521 129 E HA -0.094 4.256 4.350 -0.000 0.000 0.562 129 E C 0.679 177.162 176.600 -0.195 0.000 1.127 129 E CA 0.817 57.090 56.400 -0.212 0.000 3.733 129 E CB 0.235 29.747 29.700 -0.313 0.000 1.950 129 E HN 0.638 nan 8.360 nan 0.000 0.434 130 D N -1.694 118.639 120.400 -0.112 0.000 2.514 130 D HA 0.017 4.657 4.640 -0.000 0.000 0.225 130 D C 0.639 176.966 176.300 0.045 0.000 1.159 130 D CA -0.170 53.806 54.000 -0.040 0.000 0.823 130 D CB -0.420 40.385 40.800 0.008 0.000 1.097 130 D HN 0.351 nan 8.370 nan 0.000 0.519 131 F N -0.075 119.862 119.950 -0.022 0.000 2.692 131 F HA 0.513 5.040 4.527 -0.000 0.000 0.303 131 F C 1.429 177.219 175.800 -0.016 0.000 1.114 131 F CA -0.803 57.187 58.000 -0.016 0.000 1.361 131 F CB 0.136 39.122 39.000 -0.022 0.000 1.063 131 F HN -0.199 nan 8.300 nan 0.000 0.550 132 R N -1.122 119.204 120.500 -0.289 0.000 2.344 132 R HA 0.054 4.394 4.340 -0.000 0.000 0.209 132 R C -0.073 176.160 176.300 -0.112 0.000 0.886 132 R CA -0.357 55.584 56.100 -0.264 0.000 1.040 132 R CB -0.257 29.789 30.300 -0.423 0.000 1.114 132 R HN 0.228 nan 8.270 nan 0.000 0.547 133 H N 0.671 119.650 119.070 -0.153 0.000 3.145 133 H HA 0.084 4.640 4.556 -0.000 0.000 0.288 133 H C 1.125 176.417 175.328 -0.061 0.000 0.969 133 H CA 1.604 57.585 56.048 -0.112 0.000 1.444 133 H CB 0.174 29.859 29.762 -0.128 0.000 1.500 133 H HN 0.477 nan 8.280 nan 0.000 0.552 134 G N 3.765 112.358 108.800 -0.344 0.000 2.176 134 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.232 134 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.232 134 G C -0.103 174.724 174.900 -0.122 0.000 0.986 134 G CA 0.078 45.029 45.100 -0.248 0.000 0.643 134 G HN 0.641 nan 8.290 nan 0.000 0.522 135 L N 1.157 122.309 121.223 -0.118 0.000 2.360 135 L HA 0.569 4.909 4.340 -0.000 0.000 0.271 135 L C 1.336 178.136 176.870 -0.117 0.000 1.057 135 L CA -1.330 53.444 54.840 -0.110 0.000 0.803 135 L CB 1.222 43.209 42.059 -0.120 0.000 1.207 135 L HN 0.018 nan 8.230 nan 0.000 0.445 136 I N 2.435 122.926 120.570 -0.133 0.000 2.919 136 I HA -0.137 4.033 4.170 -0.000 0.000 0.299 136 I C 0.830 176.861 176.117 -0.143 0.000 1.221 136 I CA 0.491 61.700 61.300 -0.153 0.000 1.424 136 I CB -0.258 37.552 38.000 -0.316 0.000 1.358 136 I HN 0.537 nan 8.210 nan 0.000 0.551 137 H N 5.459 124.402 119.070 -0.211 0.000 2.408 137 H HA 0.498 5.054 4.556 -0.000 0.000 0.345 137 H C -0.235 174.940 175.328 -0.255 0.000 1.547 137 H CA -0.146 55.770 56.048 -0.219 0.000 1.447 137 H CB 1.488 31.089 29.762 -0.268 0.000 1.686 137 H HN 0.610 nan 8.280 nan 0.000 0.625 138 S N -0.185 115.738 115.700 0.372 0.000 2.638 138 S HA 0.494 4.964 4.470 -0.000 0.000 0.274 138 S C -0.833 174.133 174.600 0.610 0.000 1.157 138 S CA -0.899 57.485 58.200 0.307 0.000 0.826 138 S CB 2.900 66.253 63.200 0.255 0.000 1.139 138 S HN 0.629 nan 8.310 nan 0.000 0.474 139 R N 0.509 121.284 120.500 0.457 0.000 2.837 139 R HA 0.459 4.799 4.340 -0.000 0.000 0.271 139 R C -1.908 174.337 176.300 -0.091 0.000 0.993 139 R CA -0.554 55.711 56.100 0.274 0.000 0.931 139 R CB 1.495 31.912 30.300 0.194 0.000 1.206 139 R HN 0.665 nan 8.270 nan 0.000 0.474 140 D N 1.499 121.512 120.400 -0.646 0.000 2.302 140 D HA 0.241 4.880 4.640 -0.000 0.000 0.248 140 D C -1.138 175.032 176.300 -0.215 0.000 1.094 140 D CA 0.253 53.680 54.000 -0.956 0.000 0.897 140 D CB 0.582 40.468 40.800 -1.522 0.000 1.200 140 D HN 0.216 nan 8.370 nan 0.000 0.429 141 F N 0.637 120.392 119.950 -0.325 0.000 2.814 141 F HA 0.571 5.098 4.527 -0.000 0.000 0.353 141 F C 0.657 176.365 175.800 -0.153 0.000 1.177 141 F CA -0.807 57.082 58.000 -0.185 0.000 1.036 141 F CB 1.280 40.219 39.000 -0.102 0.000 1.455 141 F HN 0.312 nan 8.300 nan 0.000 0.520 142 G N 0.383 108.914 108.800 -0.448 0.000 2.343 142 G HA2 0.405 4.365 3.960 -0.000 0.000 0.254 142 G HA3 0.405 4.365 3.960 -0.000 0.000 0.254 142 G C 0.656 175.473 174.900 -0.139 0.000 1.277 142 G CA 0.244 45.143 45.100 -0.334 0.000 0.909 142 G HN 1.582 nan 8.290 nan 0.000 0.502 143 G N 1.813 110.506 108.800 -0.180 0.000 2.283 143 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.280 143 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.280 143 G C 0.478 175.374 174.900 -0.006 0.000 1.029 143 G CA 0.932 45.949 45.100 -0.138 0.000 0.840 143 G HN 1.797 nan 8.290 nan 0.000 0.505 144 T N -2.988 111.566 114.554 0.000 0.000 2.824 144 T HA 0.685 5.035 4.350 -0.000 0.000 0.282 144 T C -0.034 174.704 174.700 0.063 0.000 0.993 144 T CA -0.937 61.188 62.100 0.041 0.000 0.967 144 T CB 2.348 71.241 68.868 0.042 0.000 0.960 144 T HN 0.023 nan 8.240 nan 0.000 0.441 145 K N 2.201 122.658 120.400 0.094 0.000 3.016 145 K HA 0.371 4.691 4.320 -0.000 0.000 0.226 145 K C -0.655 176.042 176.600 0.161 0.000 1.245 145 K CA -0.406 55.958 56.287 0.129 0.000 1.174 145 K CB 0.036 32.601 32.500 0.108 0.000 1.572 145 K HN 0.687 nan 8.250 nan 0.000 0.462 146 K N -0.007 120.533 120.400 0.234 0.000 2.880 146 K HA 0.067 4.387 4.320 -0.000 0.000 0.302 146 K C -2.205 174.628 176.600 0.389 0.000 1.135 146 K CA -0.412 56.050 56.287 0.291 0.000 0.917 146 K CB 0.116 32.700 32.500 0.140 0.000 1.387 146 K HN -0.014 nan 8.250 nan 0.000 0.380 147 W N 5.142 126.459 121.300 0.028 0.000 2.292 147 W HA 0.412 5.072 4.660 -0.000 0.000 0.352 147 W C 0.735 177.261 176.519 0.012 0.000 0.962 147 W CA -0.500 56.874 57.345 0.049 0.000 1.496 147 W CB 0.449 29.957 29.460 0.080 0.000 1.381 147 W HN 0.591 nan 8.180 nan 0.000 0.363 148 R N -0.626 119.952 120.500 0.131 0.000 2.535 148 R HA 0.250 4.590 4.340 -0.000 0.000 0.323 148 R C -0.032 176.251 176.300 -0.029 0.000 0.979 148 R CA -0.257 55.852 56.100 0.014 0.000 1.120 148 R CB -0.079 30.163 30.300 -0.095 0.000 1.306 148 R HN -0.063 nan 8.270 nan 0.000 0.540 149 T N 1.804 116.358 114.554 -0.001 0.000 2.739 149 T HA 0.243 4.593 4.350 -0.000 0.000 0.298 149 T C -0.030 174.686 174.700 0.028 0.000 0.929 149 T CA -0.278 61.780 62.100 -0.069 0.000 1.014 149 T CB 0.384 69.114 68.868 -0.230 0.000 0.914 149 T HN 0.233 nan 8.240 nan 0.000 0.509 150 C N 4.240 123.546 119.300 0.009 0.000 2.520 150 C HA 0.719 5.179 4.460 -0.000 0.000 0.376 150 C C -0.043 175.105 174.990 0.263 0.000 1.268 150 C CA -0.806 58.236 59.018 0.039 0.000 2.414 150 C CB -0.806 26.856 27.740 -0.130 0.000 2.521 150 C HN 0.934 nan 8.230 nan 0.000 0.618 151 Y N -1.455 119.019 120.300 0.290 0.000 2.638 151 Y HA 0.664 5.214 4.550 -0.000 0.000 0.335 151 Y C -0.359 175.648 175.900 0.178 0.000 1.155 151 Y CA -1.213 57.006 58.100 0.199 0.000 1.046 151 Y CB 0.972 39.464 38.460 0.052 0.000 1.303 151 Y HN 0.579 nan 8.280 nan 0.000 0.460 152 T N 0.124 114.841 114.554 0.270 0.000 3.305 152 T HA 0.740 5.090 4.350 -0.000 0.000 0.348 152 T C 0.182 174.940 174.700 0.097 0.000 1.394 152 T CA -0.039 62.119 62.100 0.096 0.000 1.549 152 T CB -0.060 68.704 68.868 -0.173 0.000 0.962 152 T HN 2.396 nan 8.240 nan 0.000 0.609 153 A N 2.962 125.894 122.820 0.187 0.000 5.676 153 A HA -0.127 4.193 4.320 -0.000 0.000 0.262 153 A C 0.869 178.431 177.584 -0.037 0.000 2.193 153 A CA 0.825 52.876 52.037 0.023 0.000 0.712 153 A CB -1.578 17.410 19.000 -0.020 0.000 1.068 153 A HN 1.126 nan 8.150 nan 0.000 0.349 154 D N -0.357 120.007 120.400 -0.059 0.000 2.479 154 D HA 0.500 5.140 4.640 -0.000 0.000 0.218 154 D C 0.305 176.575 176.300 -0.051 0.000 1.177 154 D CA 1.011 54.975 54.000 -0.059 0.000 0.830 154 D CB -0.000 40.762 40.800 -0.063 0.000 1.014 154 D HN 1.614 nan 8.370 nan 0.000 0.503 155 A N 0.480 123.264 122.820 -0.060 0.000 3.154 155 A HA 0.407 4.727 4.320 -0.000 0.000 0.310 155 A C 1.207 178.758 177.584 -0.056 0.000 1.093 155 A CA -0.452 51.540 52.037 -0.076 0.000 1.006 155 A CB 0.020 18.935 19.000 -0.143 0.000 1.084 155 A HN 0.053 nan 8.150 nan 0.000 0.549 156 T N -0.001 114.528 114.554 -0.041 0.000 2.668 156 T HA -0.091 4.259 4.350 -0.000 0.000 0.262 156 T C 2.227 176.884 174.700 -0.072 0.000 1.045 156 T CA 1.926 63.988 62.100 -0.064 0.000 1.152 156 T CB -0.385 68.482 68.868 -0.001 0.000 0.864 156 T HN 0.669 nan 8.240 nan 0.000 0.419 157 G N 0.656 109.437 108.800 -0.031 0.000 2.550 157 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.222 157 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.222 157 G C 1.215 176.106 174.900 -0.014 0.000 1.113 157 G CA 1.819 46.906 45.100 -0.020 0.000 0.748 157 G HN 0.654 nan 8.290 nan 0.000 0.585 158 H N 0.918 119.914 119.070 -0.122 0.000 2.253 158 H HA -0.147 4.409 4.556 -0.000 0.000 0.299 158 H C 2.949 178.144 175.328 -0.221 0.000 1.064 158 H CA 3.170 59.110 56.048 -0.179 0.000 1.264 158 H CB -0.599 29.000 29.762 -0.272 0.000 1.371 158 H HN 0.305 nan 8.280 nan 0.000 0.493 159 T N -1.525 112.946 114.554 -0.139 0.000 2.918 159 T HA -0.225 4.125 4.350 -0.000 0.000 0.271 159 T C 1.943 176.545 174.700 -0.164 0.000 1.104 159 T CA 1.770 63.748 62.100 -0.203 0.000 1.114 159 T CB -0.336 68.397 68.868 -0.225 0.000 0.855 159 T HN 0.362 nan 8.240 nan 0.000 0.518 160 M N -0.329 119.192 119.600 -0.131 0.000 2.155 160 M HA 0.217 4.697 4.480 -0.000 0.000 0.258 160 M C 2.217 178.548 176.300 0.053 0.000 1.092 160 M CA 0.911 56.190 55.300 -0.034 0.000 1.153 160 M CB -0.510 32.083 32.600 -0.011 0.000 1.316 160 M HN 0.257 nan 8.290 nan 0.000 0.431 161 L N 0.562 121.816 121.223 0.051 0.000 2.034 161 L HA -0.256 4.084 4.340 -0.000 0.000 0.217 161 L C 2.081 179.013 176.870 0.104 0.000 1.077 161 L CA 2.181 57.068 54.840 0.078 0.000 0.769 161 L CB -0.830 41.284 42.059 0.092 0.000 0.890 161 L HN 0.124 nan 8.230 nan 0.000 0.435 162 F N -0.073 119.758 119.950 -0.198 0.000 2.075 162 F HA -0.134 4.393 4.527 -0.000 0.000 0.297 162 F C 2.601 178.332 175.800 -0.115 0.000 1.113 162 F CA 1.332 59.222 58.000 -0.183 0.000 1.218 162 F CB -1.539 37.312 39.000 -0.247 0.000 0.984 162 F HN 0.208 nan 8.300 nan 0.000 0.472 163 A N -0.239 122.660 122.820 0.132 0.000 1.997 163 A HA -0.170 4.150 4.320 -0.000 0.000 0.221 163 A C 2.375 179.972 177.584 0.023 0.000 1.172 163 A CA 2.226 54.319 52.037 0.093 0.000 0.645 163 A CB -1.231 17.865 19.000 0.160 0.000 0.813 163 A HN 0.221 nan 8.150 nan 0.000 0.454 164 V N -0.687 119.256 119.914 0.049 0.000 2.256 164 V HA -0.102 4.018 4.120 -0.000 0.000 0.240 164 V C 3.038 179.046 176.094 -0.143 0.000 1.036 164 V CA 1.614 63.899 62.300 -0.025 0.000 1.008 164 V CB -1.374 30.507 31.823 0.096 0.000 0.648 164 V HN 0.599 nan 8.190 nan 0.000 0.453 165 A N 0.617 123.369 122.820 -0.114 0.000 1.927 165 A HA -0.337 3.983 4.320 -0.000 0.000 0.220 165 A C 1.990 179.461 177.584 -0.188 0.000 1.185 165 A CA 2.650 54.590 52.037 -0.162 0.000 0.639 165 A CB -0.973 17.895 19.000 -0.220 0.000 0.820 165 A HN 0.609 nan 8.150 nan 0.000 0.451 166 N N -0.242 118.347 118.700 -0.186 0.000 2.149 166 N HA -0.126 4.614 4.740 -0.000 0.000 0.188 166 N C 1.705 177.082 175.510 -0.222 0.000 1.019 166 N CA 1.381 54.325 53.050 -0.176 0.000 0.857 166 N CB -0.243 38.169 38.487 -0.124 0.000 0.997 166 N HN 0.477 nan 8.380 nan 0.000 0.426 167 E N 0.163 120.168 120.200 -0.326 0.000 2.051 167 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 167 E C 2.184 178.611 176.600 -0.289 0.000 0.991 167 E CA 0.654 56.785 56.400 -0.448 0.000 0.799 167 E CB -0.534 28.647 29.700 -0.865 0.000 0.748 167 E HN 0.370 nan 8.360 nan 0.000 0.449 168 C N 0.942 120.108 119.300 -0.224 0.000 2.398 168 C HA -0.150 4.310 4.460 -0.000 0.000 0.276 168 C C 2.842 177.758 174.990 -0.124 0.000 1.222 168 C CA 0.569 59.500 59.018 -0.146 0.000 1.746 168 C CB -1.323 26.348 27.740 -0.115 0.000 2.039 168 C HN 0.399 nan 8.230 nan 0.000 0.470 169 L N 0.759 121.904 121.223 -0.130 0.000 2.127 169 L HA -0.201 4.139 4.340 -0.000 0.000 0.211 169 L C 2.662 179.474 176.870 -0.098 0.000 1.089 169 L CA 1.646 56.422 54.840 -0.106 0.000 0.757 169 L CB -0.773 41.220 42.059 -0.110 0.000 0.899 169 L HN 0.485 nan 8.230 nan 0.000 0.434 170 K N 0.696 121.023 120.400 -0.121 0.000 2.217 170 K HA -0.093 4.227 4.320 -0.000 0.000 0.202 170 K C 1.903 178.453 176.600 -0.084 0.000 1.051 170 K CA 0.825 57.049 56.287 -0.105 0.000 0.952 170 K CB 0.162 32.581 32.500 -0.136 0.000 0.736 170 K HN 0.316 nan 8.250 nan 0.000 0.453 171 L N -0.766 120.404 121.223 -0.089 0.000 2.529 171 L HA 0.184 4.524 4.340 -0.000 0.000 0.223 171 L C 1.029 177.871 176.870 -0.047 0.000 1.113 171 L CA 0.503 55.305 54.840 -0.062 0.000 0.861 171 L CB 0.449 42.470 42.059 -0.063 0.000 1.012 171 L HN 0.504 nan 8.230 nan 0.000 0.461 172 G N 0.157 108.926 108.800 -0.051 0.000 2.131 172 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.223 172 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.223 172 G C 0.276 175.154 174.900 -0.036 0.000 0.990 172 G CA -0.003 45.073 45.100 -0.039 0.000 0.671 172 G HN 0.047 nan 8.290 nan 0.000 0.521 173 V N 0.275 120.162 119.914 -0.045 0.000 3.332 173 V HA 0.458 4.578 4.120 -0.000 0.000 0.305 173 V C 1.237 177.310 176.094 -0.035 0.000 1.114 173 V CA 0.988 63.265 62.300 -0.039 0.000 1.194 173 V CB 1.667 33.461 31.823 -0.048 0.000 1.027 173 V HN 0.712 nan 8.190 nan 0.000 0.492 174 S N 3.018 118.703 115.700 -0.026 0.000 2.594 174 S HA 0.519 4.989 4.470 -0.000 0.000 0.322 174 S C -0.672 173.914 174.600 -0.025 0.000 1.085 174 S CA -0.795 57.394 58.200 -0.018 0.000 1.116 174 S CB -0.100 63.101 63.200 0.002 0.000 0.979 174 S HN 0.423 nan 8.310 nan 0.000 0.465 175 I N 4.200 124.749 120.570 -0.036 0.000 2.472 175 I HA 0.376 4.546 4.170 -0.000 0.000 0.290 175 I C 0.480 176.576 176.117 -0.035 0.000 1.016 175 I CA -0.101 61.171 61.300 -0.046 0.000 1.348 175 I CB 1.026 38.990 38.000 -0.061 0.000 1.417 175 I HN 0.728 nan 8.210 nan 0.000 0.521 176 Q N 3.283 123.057 119.800 -0.044 0.000 3.048 176 Q HA 0.148 4.487 4.340 -0.000 0.000 0.337 176 Q C -0.742 175.231 176.000 -0.044 0.000 0.845 176 Q CA -0.645 55.138 55.803 -0.033 0.000 0.942 176 Q CB 1.086 29.810 28.738 -0.024 0.000 1.454 176 Q HN 0.746 nan 8.270 nan 0.000 0.392 177 D N 0.095 120.471 120.400 -0.040 0.000 2.319 177 D HA -0.089 4.551 4.640 -0.000 0.000 0.235 177 D C -0.095 176.192 176.300 -0.023 0.000 1.304 177 D CA -0.054 53.924 54.000 -0.037 0.000 0.894 177 D CB 0.549 41.328 40.800 -0.035 0.000 1.183 177 D HN 0.195 nan 8.370 nan 0.000 0.472 178 R N -1.490 119.000 120.500 -0.017 0.000 3.205 178 R HA -0.216 4.124 4.340 -0.000 0.000 0.249 178 R C -0.911 175.390 176.300 0.001 0.000 0.937 178 R CA 0.673 56.772 56.100 -0.001 0.000 0.641 178 R CB -1.539 28.765 30.300 0.007 0.000 1.114 178 R HN 0.516 nan 8.270 nan 0.000 0.451 179 K N 0.699 121.089 120.400 -0.016 0.000 2.589 179 K HA 0.232 4.552 4.320 -0.000 0.000 0.253 179 K C -1.419 175.154 176.600 -0.045 0.000 0.974 179 K CA -0.629 55.639 56.287 -0.031 0.000 0.835 179 K CB 1.535 33.991 32.500 -0.074 0.000 1.272 179 K HN 0.264 nan 8.250 nan 0.000 0.444 180 E N 2.712 122.902 120.200 -0.017 0.000 2.212 180 E HA 0.714 5.064 4.350 -0.000 0.000 0.268 180 E C -1.236 175.352 176.600 -0.021 0.000 0.902 180 E CA -1.043 55.355 56.400 -0.004 0.000 0.779 180 E CB 1.535 31.274 29.700 0.066 0.000 1.172 180 E HN 0.618 nan 8.360 nan 0.000 0.409 181 A N 4.655 127.458 122.820 -0.028 0.000 2.320 181 A HA 0.368 4.687 4.320 -0.000 0.000 0.287 181 A C 0.631 178.218 177.584 0.004 0.000 1.181 181 A CA -0.465 51.557 52.037 -0.025 0.000 0.831 181 A CB -0.200 18.779 19.000 -0.035 0.000 1.102 181 A HN 0.714 nan 8.150 nan 0.000 0.513 182 I N -0.784 119.786 120.570 -0.000 0.000 4.240 182 I HA 0.653 4.823 4.170 -0.000 0.000 0.331 182 I C 0.315 176.452 176.117 0.034 0.000 1.381 182 I CA 0.231 61.531 61.300 0.001 0.000 1.136 182 I CB 0.239 38.172 38.000 -0.112 0.000 1.137 182 I HN 0.613 nan 8.210 nan 0.000 0.411 183 A N 1.393 124.243 122.820 0.050 0.000 2.585 183 A HA 0.656 4.976 4.320 -0.000 0.000 0.299 183 A C -1.440 176.195 177.584 0.086 0.000 1.047 183 A CA -0.503 51.587 52.037 0.089 0.000 0.723 183 A CB 0.790 19.869 19.000 0.132 0.000 1.275 183 A HN 0.208 nan 8.150 nan 0.000 0.408 184 L N 1.564 122.840 121.223 0.088 0.000 2.399 184 L HA 0.606 4.946 4.340 -0.000 0.000 0.265 184 L C -0.402 176.370 176.870 -0.163 0.000 1.089 184 L CA -0.687 54.162 54.840 0.015 0.000 0.802 184 L CB 1.457 43.556 42.059 0.066 0.000 1.180 184 L HN 0.626 nan 8.230 nan 0.000 0.454 185 I N 1.364 121.698 120.570 -0.394 0.000 2.359 185 I HA 0.238 4.408 4.170 -0.000 0.000 0.284 185 I C -0.810 174.864 176.117 -0.739 0.000 1.018 185 I CA -0.556 60.120 61.300 -1.041 0.000 1.173 185 I CB 0.625 38.167 38.000 -0.764 0.000 1.326 185 I HN 0.600 nan 8.210 nan 0.000 0.462 186 H N 3.670 122.385 119.070 -0.593 0.000 2.679 186 H HA 0.709 5.265 4.556 -0.000 0.000 0.367 186 H C -1.037 174.073 175.328 -0.364 0.000 1.162 186 H CA -1.088 54.701 56.048 -0.431 0.000 1.181 186 H CB 1.554 31.222 29.762 -0.156 0.000 1.693 186 H HN 0.511 nan 8.280 nan 0.000 0.538 187 Q N 1.657 121.265 119.800 -0.320 0.000 2.275 187 Q HA 0.213 4.553 4.340 -0.000 0.000 0.258 187 Q C -1.334 174.646 176.000 -0.033 0.000 0.960 187 Q CA -0.655 55.081 55.803 -0.111 0.000 0.801 187 Q CB 0.963 29.625 28.738 -0.127 0.000 1.302 187 Q HN 0.919 nan 8.270 nan 0.000 0.433 188 D N 3.086 123.519 120.400 0.055 0.000 2.718 188 D HA -0.164 4.476 4.640 -0.000 0.000 0.242 188 D C 0.358 176.675 176.300 0.028 0.000 1.123 188 D CA 1.416 55.448 54.000 0.053 0.000 0.690 188 D CB -1.522 39.326 40.800 0.081 0.000 1.059 188 D HN 1.130 nan 8.370 nan 0.000 0.429 189 G N 0.532 109.327 108.800 -0.009 0.000 2.393 189 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.299 189 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.299 189 G C -0.048 174.856 174.900 0.007 0.000 0.990 189 G CA 1.062 46.141 45.100 -0.036 0.000 1.118 189 G HN 0.563 nan 8.290 nan 0.000 0.513 190 K N -0.885 119.507 120.400 -0.013 0.000 2.525 190 K HA 0.455 4.775 4.320 -0.000 0.000 0.254 190 K C -0.702 175.857 176.600 -0.069 0.000 0.934 190 K CA -0.870 55.446 56.287 0.049 0.000 0.802 190 K CB 2.138 34.755 32.500 0.194 0.000 1.295 190 K HN 0.215 nan 8.250 nan 0.000 0.433 191 C N 3.793 123.152 119.300 0.100 0.000 2.265 191 C HA 0.375 4.835 4.460 -0.000 0.000 0.332 191 C C 0.767 175.941 174.990 0.306 0.000 1.248 191 C CA -0.299 58.776 59.018 0.096 0.000 1.727 191 C CB -1.082 26.737 27.740 0.133 0.000 2.348 191 C HN 0.948 nan 8.230 nan 0.000 0.519 192 Y N 4.264 124.577 120.300 0.021 0.000 2.478 192 Y HA 0.340 4.890 4.550 -0.000 0.000 0.261 192 Y C 1.699 177.605 175.900 0.010 0.000 1.127 192 Y CA 0.024 58.133 58.100 0.015 0.000 1.288 192 Y CB 0.410 38.851 38.460 -0.032 0.000 1.084 192 Y HN 0.945 nan 8.280 nan 0.000 0.530 193 G N 0.312 109.193 108.800 0.134 0.000 2.439 193 G HA2 0.412 4.372 3.960 -0.000 0.000 0.186 193 G HA3 0.412 4.372 3.960 -0.000 0.000 0.186 193 G C -1.856 173.064 174.900 0.034 0.000 1.260 193 G CA -0.336 44.820 45.100 0.094 0.000 1.020 193 G HN 0.251 nan 8.290 nan 0.000 0.470 194 A N -1.715 121.141 122.820 0.059 0.000 2.593 194 A HA 0.846 5.166 4.320 -0.000 0.000 0.290 194 A C -1.346 176.287 177.584 0.083 0.000 1.126 194 A CA -0.185 51.875 52.037 0.038 0.000 0.695 194 A CB 1.595 20.614 19.000 0.031 0.000 1.290 194 A HN 1.718 nan 8.150 nan 0.000 0.414 195 V N 0.987 120.947 119.914 0.076 0.000 2.370 195 V HA 0.524 4.644 4.120 -0.000 0.000 0.283 195 V C -0.432 175.710 176.094 0.080 0.000 1.023 195 V CA -0.339 62.023 62.300 0.105 0.000 0.857 195 V CB 1.196 33.090 31.823 0.118 0.000 0.985 195 V HN 0.661 nan 8.190 nan 0.000 0.443 196 V N 5.408 125.393 119.914 0.120 0.000 2.715 196 V HA 0.600 4.720 4.120 -0.000 0.000 0.310 196 V C -0.054 176.073 176.094 0.054 0.000 1.054 196 V CA -0.938 61.400 62.300 0.062 0.000 0.928 196 V CB 2.070 33.920 31.823 0.045 0.000 1.007 196 V HN 0.877 nan 8.190 nan 0.000 0.437 197 R N 2.213 122.718 120.500 0.007 0.000 2.371 197 R HA 0.275 4.615 4.340 -0.000 0.000 0.312 197 R C -0.534 175.787 176.300 0.034 0.000 0.980 197 R CA -0.555 55.546 56.100 0.002 0.000 0.867 197 R CB 0.847 31.101 30.300 -0.077 0.000 1.163 197 R HN 0.801 nan 8.270 nan 0.000 0.492 198 D N 5.920 126.352 120.400 0.052 0.000 2.376 198 D HA -0.058 4.582 4.640 -0.000 0.000 0.278 198 D C 1.415 177.750 176.300 0.059 0.000 1.384 198 D CA 0.285 54.318 54.000 0.056 0.000 1.033 198 D CB 0.685 41.523 40.800 0.064 0.000 1.102 198 D HN 0.671 nan 8.370 nan 0.000 0.530 199 L N 3.227 124.484 121.223 0.057 0.000 2.151 199 L HA -0.262 4.078 4.340 -0.000 0.000 0.215 199 L C 2.060 178.968 176.870 0.063 0.000 1.084 199 L CA 0.869 55.749 54.840 0.066 0.000 0.764 199 L CB -0.408 41.681 42.059 0.050 0.000 0.891 199 L HN 0.350 nan 8.230 nan 0.000 0.435 200 V N -0.519 119.431 119.914 0.061 0.000 2.339 200 V HA -0.187 3.933 4.120 -0.000 0.000 0.234 200 V C 2.612 178.772 176.094 0.110 0.000 1.053 200 V CA 2.020 64.365 62.300 0.074 0.000 1.042 200 V CB -0.814 31.043 31.823 0.056 0.000 0.678 200 V HN 0.560 nan 8.190 nan 0.000 0.475 201 T N -1.394 113.209 114.554 0.082 0.000 2.881 201 T HA 0.018 4.368 4.350 -0.000 0.000 0.270 201 T C 1.647 176.411 174.700 0.106 0.000 1.068 201 T CA 1.518 63.663 62.100 0.075 0.000 1.131 201 T CB -0.330 68.561 68.868 0.039 0.000 0.871 201 T HN 1.249 nan 8.240 nan 0.000 0.479 202 G N 2.223 111.081 108.800 0.097 0.000 2.179 202 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.260 202 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.260 202 G C -0.329 174.604 174.900 0.054 0.000 0.977 202 G CA 0.175 45.329 45.100 0.089 0.000 0.641 202 G HN 0.972 nan 8.290 nan 0.000 0.533 203 D N 0.529 120.957 120.400 0.047 0.000 2.193 203 D HA 0.550 5.189 4.640 -0.000 0.000 0.249 203 D C 0.560 176.881 176.300 0.034 0.000 1.034 203 D CA -1.186 52.833 54.000 0.032 0.000 0.902 203 D CB 0.856 41.672 40.800 0.027 0.000 1.182 203 D HN 0.059 nan 8.370 nan 0.000 0.436 204 I N 1.253 121.838 120.570 0.025 0.000 2.441 204 I HA 0.280 4.450 4.170 -0.000 0.000 0.287 204 I C 0.434 176.583 176.117 0.053 0.000 1.049 204 I CA -0.486 60.835 61.300 0.035 0.000 1.381 204 I CB -0.167 37.846 38.000 0.022 0.000 1.409 204 I HN 0.420 nan 8.210 nan 0.000 0.523 205 I N 4.225 124.850 120.570 0.091 0.000 2.785 205 I HA 0.609 4.779 4.170 -0.000 0.000 0.302 205 I C 0.004 176.190 176.117 0.114 0.000 1.069 205 I CA -0.987 60.362 61.300 0.081 0.000 1.045 205 I CB 2.222 40.289 38.000 0.112 0.000 1.236 205 I HN 0.610 nan 8.210 nan 0.000 0.429 206 A N 4.575 127.411 122.820 0.026 0.000 2.260 206 A HA 0.635 4.955 4.320 -0.000 0.000 0.314 206 A C -1.517 176.053 177.584 -0.023 0.000 1.257 206 A CA -0.195 51.874 52.037 0.052 0.000 0.871 206 A CB 0.140 19.158 19.000 0.029 0.000 1.166 206 A HN 0.562 nan 8.150 nan 0.000 0.522 207 Y N 2.361 122.668 120.300 0.011 0.000 2.417 207 Y HA 0.418 4.968 4.550 -0.000 0.000 0.336 207 Y C 0.514 176.418 175.900 0.007 0.000 0.961 207 Y CA -0.393 57.710 58.100 0.005 0.000 1.215 207 Y CB 1.678 40.133 38.460 -0.007 0.000 1.120 207 Y HN 0.649 nan 8.280 nan 0.000 0.499 208 V N 0.883 120.849 119.914 0.086 0.000 2.713 208 V HA 1.037 5.157 4.120 -0.000 0.000 0.307 208 V C -0.359 175.744 176.094 0.015 0.000 1.052 208 V CA -0.776 61.584 62.300 0.101 0.000 0.967 208 V CB 1.420 33.329 31.823 0.143 0.000 1.019 208 V HN 0.840 nan 8.190 nan 0.000 0.459 209 A N 2.778 125.608 122.820 0.016 0.000 2.586 209 A HA 0.476 4.796 4.320 -0.000 0.000 0.296 209 A C 0.278 177.864 177.584 0.004 0.000 1.040 209 A CA -0.274 51.680 52.037 -0.139 0.000 0.701 209 A CB 0.921 19.806 19.000 -0.191 0.000 1.277 209 A HN 0.863 nan 8.150 nan 0.000 0.413 210 K N 0.652 121.035 120.400 -0.028 0.000 2.034 210 K HA -0.101 4.219 4.320 -0.000 0.000 0.214 210 K C 1.186 177.845 176.600 0.099 0.000 1.051 210 K CA 1.864 58.148 56.287 -0.005 0.000 0.931 210 K CB -0.162 32.279 32.500 -0.100 0.000 0.715 210 K HN 0.847 nan 8.250 nan 0.000 0.446 211 G N -0.254 108.566 108.800 0.033 0.000 2.601 211 G HA2 0.495 4.455 3.960 -0.000 0.000 0.317 211 G HA3 0.495 4.455 3.960 -0.000 0.000 0.317 211 G C -1.099 174.009 174.900 0.347 0.000 1.246 211 G CA -0.447 44.781 45.100 0.213 0.000 1.012 211 G HN 0.051 nan 8.290 nan 0.000 0.494 212 T N 0.136 115.038 114.554 0.579 0.000 3.933 212 T HA 0.285 4.635 4.350 -0.000 0.000 0.357 212 T C -1.051 173.724 174.700 0.125 0.000 1.077 212 T CA -0.390 61.912 62.100 0.336 0.000 1.082 212 T CB 0.938 69.925 68.868 0.199 0.000 1.158 212 T HN 0.535 nan 8.240 nan 0.000 0.472 213 L N 4.336 125.488 121.223 -0.118 0.000 2.329 213 L HA 0.747 5.087 4.340 -0.000 0.000 0.279 213 L C -1.147 175.626 176.870 -0.161 0.000 1.014 213 L CA -1.101 53.530 54.840 -0.349 0.000 0.814 213 L CB 0.975 42.551 42.059 -0.804 0.000 1.257 213 L HN 0.658 nan 8.230 nan 0.000 0.424 214 I N 4.926 125.421 120.570 -0.125 0.000 2.382 214 I HA 0.419 4.589 4.170 -0.000 0.000 0.286 214 I C -0.120 175.942 176.117 -0.091 0.000 1.002 214 I CA -0.358 60.892 61.300 -0.083 0.000 1.135 214 I CB 1.821 39.791 38.000 -0.050 0.000 1.288 214 I HN 0.723 nan 8.210 nan 0.000 0.448 215 A N 3.588 126.359 122.820 -0.083 0.000 3.258 215 A HA 0.289 4.609 4.320 -0.000 0.000 0.318 215 A C 0.681 178.234 177.584 -0.051 0.000 0.990 215 A CA -0.341 51.653 52.037 -0.073 0.000 0.885 215 A CB -0.141 18.808 19.000 -0.084 0.000 1.090 215 A HN 0.730 nan 8.150 nan 0.000 0.479 216 T N -1.393 113.135 114.554 -0.043 0.000 3.272 216 T HA 0.446 4.796 4.350 -0.000 0.000 0.250 216 T C 1.045 175.725 174.700 -0.032 0.000 1.082 216 T CA 0.866 62.947 62.100 -0.033 0.000 0.968 216 T CB -0.843 68.009 68.868 -0.027 0.000 1.015 216 T HN 2.133 nan 8.240 nan 0.000 0.563 217 G N 0.399 109.176 108.800 -0.038 0.000 2.939 217 G HA2 0.139 4.099 3.960 -0.000 0.000 0.278 217 G HA3 0.139 4.099 3.960 -0.000 0.000 0.278 217 G C 0.432 175.274 174.900 -0.096 0.000 1.487 217 G CA -0.546 44.519 45.100 -0.058 0.000 0.935 217 G HN 1.014 nan 8.290 nan 0.000 0.553 218 G N -0.988 107.689 108.800 -0.204 0.000 2.777 218 G HA2 0.447 4.407 3.960 -0.000 0.000 0.286 218 G HA3 0.447 4.407 3.960 -0.000 0.000 0.286 218 G C 0.512 175.307 174.900 -0.175 0.000 1.283 218 G CA 0.963 45.851 45.100 -0.353 0.000 1.060 218 G HN 1.974 nan 8.290 nan 0.000 0.641 219 Y N -3.091 117.085 120.300 -0.207 0.000 2.738 219 Y HA 0.481 5.031 4.550 -0.000 0.000 0.249 219 Y C 1.823 177.665 175.900 -0.096 0.000 1.153 219 Y CA -0.323 57.699 58.100 -0.130 0.000 1.165 219 Y CB -0.291 38.112 38.460 -0.095 0.000 1.235 219 Y HN 0.502 nan 8.280 nan 0.000 0.559 220 G N 1.292 109.954 108.800 -0.229 0.000 2.532 220 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.222 220 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.222 220 G C 1.706 176.602 174.900 -0.008 0.000 1.102 220 G CA 0.536 45.512 45.100 -0.206 0.000 0.742 220 G HN 0.215 nan 8.290 nan 0.000 0.577 221 R N 0.429 120.933 120.500 0.007 0.000 2.323 221 R HA 0.081 4.421 4.340 -0.000 0.000 0.198 221 R C 2.397 178.749 176.300 0.086 0.000 0.988 221 R CA 0.346 56.467 56.100 0.034 0.000 1.041 221 R CB -0.452 29.841 30.300 -0.012 0.000 0.926 221 R HN 0.756 nan 8.270 nan 0.000 0.476 222 I N -3.058 117.602 120.570 0.150 0.000 3.001 222 I HA -0.034 4.136 4.170 -0.000 0.000 0.268 222 I C 0.012 176.136 176.117 0.011 0.000 1.267 222 I CA 0.501 61.847 61.300 0.078 0.000 1.472 222 I CB -0.261 37.789 38.000 0.084 0.000 1.089 222 I HN -0.221 nan 8.210 nan 0.000 0.468 223 Y N 1.514 121.820 120.300 0.009 0.000 2.403 223 Y HA 0.318 4.868 4.550 -0.000 0.000 0.323 223 Y C 1.432 177.338 175.900 0.011 0.000 1.226 223 Y CA -0.677 57.431 58.100 0.014 0.000 1.235 223 Y CB 1.402 39.847 38.460 -0.024 0.000 1.248 223 Y HN -0.189 nan 8.280 nan 0.000 0.489 224 K N 0.802 121.303 120.400 0.168 0.000 2.044 224 K HA 0.002 4.322 4.320 -0.000 0.000 0.204 224 K C -0.477 176.188 176.600 0.108 0.000 1.049 224 K CA 1.009 57.363 56.287 0.111 0.000 0.945 224 K CB 0.021 32.580 32.500 0.097 0.000 0.724 224 K HN 0.663 nan 8.250 nan 0.000 0.440 225 N N 0.885 119.671 118.700 0.143 0.000 2.589 225 N HA 0.099 4.839 4.740 -0.000 0.000 0.232 225 N C -1.355 174.186 175.510 0.053 0.000 1.015 225 N CA -0.197 52.914 53.050 0.102 0.000 0.931 225 N CB 1.889 40.459 38.487 0.138 0.000 1.150 225 N HN 0.071 nan 8.380 nan 0.000 0.512 226 T N -1.249 113.308 114.554 0.004 0.000 2.896 226 T HA 0.377 4.727 4.350 -0.000 0.000 0.297 226 T C 1.019 175.689 174.700 -0.050 0.000 1.108 226 T CA -0.606 61.456 62.100 -0.062 0.000 1.004 226 T CB 1.060 69.874 68.868 -0.090 0.000 1.159 226 T HN 0.441 nan 8.240 nan 0.000 0.499 227 T N 0.141 114.671 114.554 -0.041 0.000 3.057 227 T HA 0.244 4.594 4.350 -0.000 0.000 0.254 227 T C 0.659 175.364 174.700 0.008 0.000 1.094 227 T CA -0.068 62.032 62.100 0.001 0.000 1.088 227 T CB -0.634 68.268 68.868 0.057 0.000 0.934 227 T HN 0.654 nan 8.240 nan 0.000 0.497 228 N N 1.932 120.562 118.700 -0.116 0.000 2.441 228 N HA 0.421 5.161 4.740 -0.000 0.000 0.251 228 N C 0.323 175.605 175.510 -0.379 0.000 1.242 228 N CA -0.362 52.437 53.050 -0.418 0.000 0.898 228 N CB 0.469 38.709 38.487 -0.413 0.000 1.100 228 N HN 0.478 nan 8.380 nan 0.000 0.443 229 A N 0.971 123.417 122.820 -0.622 0.000 2.409 229 A HA 0.041 4.361 4.320 -0.000 0.000 0.246 229 A C 1.434 178.923 177.584 -0.157 0.000 1.099 229 A CA -0.494 51.428 52.037 -0.192 0.000 0.789 229 A CB 0.065 19.053 19.000 -0.020 0.000 1.053 229 A HN 0.664 nan 8.150 nan 0.000 0.503 230 V N -0.804 119.067 119.914 -0.073 0.000 3.541 230 V HA 0.058 4.178 4.120 -0.000 0.000 0.272 230 V C 0.901 176.964 176.094 -0.052 0.000 1.215 230 V CA 1.390 63.657 62.300 -0.056 0.000 1.176 230 V CB -1.412 30.392 31.823 -0.032 0.000 0.854 230 V HN 1.093 nan 8.190 nan 0.000 0.496 231 V N -4.211 115.664 119.914 -0.064 0.000 3.070 231 V HA 0.443 4.563 4.120 -0.000 0.000 0.345 231 V C 0.513 176.565 176.094 -0.069 0.000 1.403 231 V CA -0.215 62.055 62.300 -0.049 0.000 1.155 231 V CB -0.845 30.963 31.823 -0.026 0.000 1.140 231 V HN 0.410 nan 8.190 nan 0.000 0.505 232 C N 1.477 120.710 119.300 -0.112 0.000 2.503 232 C HA 0.477 4.937 4.460 -0.000 0.000 0.356 232 C C 1.291 176.235 174.990 -0.077 0.000 1.168 232 C CA -0.211 58.728 59.018 -0.131 0.000 1.655 232 C CB -1.365 26.216 27.740 -0.265 0.000 1.660 232 C HN 0.667 nan 8.230 nan 0.000 0.484 233 E N 0.322 120.500 120.200 -0.037 0.000 2.498 233 E HA 0.186 4.536 4.350 -0.000 0.000 0.203 233 E C 1.686 178.293 176.600 0.013 0.000 1.013 233 E CA 0.297 56.692 56.400 -0.009 0.000 0.927 233 E CB 0.393 30.082 29.700 -0.018 0.000 1.012 233 E HN 0.796 nan 8.360 nan 0.000 0.482 234 G N 2.368 111.180 108.800 0.021 0.000 2.203 234 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.263 234 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.263 234 G C 1.140 176.028 174.900 -0.021 0.000 1.012 234 G CA 0.991 46.107 45.100 0.026 0.000 0.749 234 G HN 0.434 nan 8.290 nan 0.000 0.512 235 T N -2.568 111.978 114.554 -0.014 0.000 2.720 235 T HA 0.006 4.356 4.350 -0.000 0.000 0.268 235 T C 2.539 177.229 174.700 -0.016 0.000 1.037 235 T CA 1.793 63.888 62.100 -0.009 0.000 1.144 235 T CB -0.658 68.223 68.868 0.022 0.000 0.864 235 T HN 1.212 nan 8.240 nan 0.000 0.444 236 G N 0.985 109.776 108.800 -0.015 0.000 2.432 236 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.219 236 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.219 236 G C 1.685 176.567 174.900 -0.031 0.000 1.135 236 G CA 1.339 46.427 45.100 -0.020 0.000 0.767 236 G HN 0.537 nan 8.290 nan 0.000 0.550 237 T N 1.541 116.072 114.554 -0.039 0.000 2.737 237 T HA 0.065 4.415 4.350 -0.000 0.000 0.265 237 T C 2.863 177.512 174.700 -0.085 0.000 1.038 237 T CA 1.408 63.471 62.100 -0.061 0.000 1.144 237 T CB -0.416 68.398 68.868 -0.089 0.000 0.866 237 T HN 0.363 nan 8.240 nan 0.000 0.434 238 A N 2.114 124.874 122.820 -0.100 0.000 1.917 238 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 238 A C 2.300 179.819 177.584 -0.108 0.000 1.182 238 A CA 1.914 53.873 52.037 -0.130 0.000 0.633 238 A CB -0.962 17.962 19.000 -0.127 0.000 0.819 238 A HN 0.757 nan 8.150 nan 0.000 0.448 239 I N -3.465 117.072 120.570 -0.057 0.000 2.676 239 I HA 0.064 4.234 4.170 -0.000 0.000 0.259 239 I C 2.154 178.268 176.117 -0.005 0.000 1.194 239 I CA 1.283 62.568 61.300 -0.025 0.000 1.473 239 I CB -0.276 37.728 38.000 0.006 0.000 1.096 239 I HN 0.170 nan 8.210 nan 0.000 0.443 240 A N 1.552 124.362 122.820 -0.016 0.000 2.072 240 A HA 0.087 4.407 4.320 -0.000 0.000 0.216 240 A C 2.331 179.911 177.584 -0.008 0.000 1.156 240 A CA 0.883 52.920 52.037 -0.000 0.000 0.701 240 A CB -0.484 18.508 19.000 -0.012 0.000 0.816 240 A HN 0.599 nan 8.150 nan 0.000 0.458 241 L N -0.944 120.256 121.223 -0.038 0.000 2.209 241 L HA 0.048 4.388 4.340 -0.000 0.000 0.207 241 L C 1.877 178.716 176.870 -0.051 0.000 1.094 241 L CA 1.127 55.945 54.840 -0.036 0.000 0.790 241 L CB -0.188 41.826 42.059 -0.076 0.000 0.932 241 L HN 0.382 nan 8.230 nan 0.000 0.447 242 E N -0.543 119.601 120.200 -0.094 0.000 2.478 242 E HA -0.137 4.213 4.350 -0.000 0.000 0.198 242 E C 1.704 178.320 176.600 0.027 0.000 1.046 242 E CA 1.095 57.431 56.400 -0.106 0.000 0.870 242 E CB 0.114 29.739 29.700 -0.125 0.000 0.818 242 E HN 0.660 nan 8.360 nan 0.000 0.527 243 T N -3.332 111.268 114.554 0.076 0.000 3.067 243 T HA 0.098 4.448 4.350 -0.000 0.000 0.257 243 T C 1.664 176.363 174.700 -0.002 0.000 1.105 243 T CA 0.537 62.725 62.100 0.148 0.000 1.104 243 T CB 0.223 69.167 68.868 0.127 0.000 0.925 243 T HN 0.195 nan 8.240 nan 0.000 0.498 244 G N 1.180 109.997 108.800 0.029 0.000 2.187 244 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.261 244 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.261 244 G C 0.634 175.526 174.900 -0.013 0.000 1.000 244 G CA 0.725 45.855 45.100 0.050 0.000 0.718 244 G HN 0.620 nan 8.290 nan 0.000 0.519 245 I N -0.564 119.969 120.570 -0.062 0.000 3.971 245 I HA 0.393 4.563 4.170 -0.000 0.000 0.303 245 I C 1.690 177.782 176.117 -0.042 0.000 1.233 245 I CA 0.542 61.796 61.300 -0.077 0.000 1.346 245 I CB 0.151 38.058 38.000 -0.155 0.000 1.273 245 I HN 0.329 nan 8.210 nan 0.000 0.448 246 A N 1.082 123.883 122.820 -0.032 0.000 2.264 246 A HA 0.671 4.991 4.320 -0.000 0.000 0.304 246 A C -0.569 177.009 177.584 -0.009 0.000 1.100 246 A CA -0.161 51.863 52.037 -0.022 0.000 0.839 246 A CB 0.670 19.657 19.000 -0.022 0.000 1.121 246 A HN 0.262 nan 8.150 nan 0.000 0.496 247 Q N 0.200 119.994 119.800 -0.011 0.000 2.394 247 Q HA 0.563 4.903 4.340 -0.000 0.000 0.273 247 Q C -1.347 174.645 176.000 -0.014 0.000 1.089 247 Q CA -0.936 54.862 55.803 -0.009 0.000 0.812 247 Q CB 2.035 30.765 28.738 -0.013 0.000 1.353 247 Q HN 0.491 nan 8.270 nan 0.000 0.438 248 L N 1.119 122.329 121.223 -0.021 0.000 2.334 248 L HA 0.663 5.003 4.340 -0.000 0.000 0.277 248 L C 0.591 177.444 176.870 -0.029 0.000 1.075 248 L CA 0.025 54.846 54.840 -0.032 0.000 0.804 248 L CB 0.769 42.791 42.059 -0.062 0.000 1.174 248 L HN 0.792 nan 8.230 nan 0.000 0.438 249 G N 0.907 109.699 108.800 -0.015 0.000 2.420 249 G HA2 0.341 4.301 3.960 -0.000 0.000 0.331 249 G HA3 0.341 4.301 3.960 -0.000 0.000 0.331 249 G C 0.099 174.982 174.900 -0.029 0.000 1.168 249 G CA -0.528 44.566 45.100 -0.009 0.000 0.936 249 G HN 0.721 nan 8.290 nan 0.000 0.479 250 N N 0.878 119.556 118.700 -0.037 0.000 2.702 250 N HA -0.163 4.577 4.740 -0.000 0.000 0.261 250 N C 1.476 176.935 175.510 -0.085 0.000 0.965 250 N CA 0.402 53.389 53.050 -0.105 0.000 0.795 250 N CB -0.272 38.011 38.487 -0.341 0.000 0.909 250 N HN 0.401 nan 8.380 nan 0.000 0.546 251 M N 0.066 119.642 119.600 -0.040 0.000 2.346 251 M HA -0.143 4.337 4.480 -0.000 0.000 0.263 251 M C 1.964 178.288 176.300 0.041 0.000 1.064 251 M CA 1.456 56.742 55.300 -0.023 0.000 1.083 251 M CB -0.385 32.157 32.600 -0.096 0.000 1.399 251 M HN 0.383 nan 8.290 nan 0.000 0.435 252 E N -0.335 119.866 120.200 0.001 0.000 2.489 252 E HA 0.117 4.467 4.350 -0.000 0.000 0.193 252 E C 0.009 176.610 176.600 0.003 0.000 1.057 252 E CA 0.141 56.545 56.400 0.007 0.000 0.866 252 E CB -0.255 29.392 29.700 -0.088 0.000 0.916 252 E HN 0.248 nan 8.360 nan 0.000 0.500 253 A N 1.655 124.436 122.820 -0.065 0.000 2.506 253 A HA 0.464 4.784 4.320 -0.000 0.000 0.320 253 A C -0.451 177.116 177.584 -0.029 0.000 1.424 253 A CA -0.556 51.409 52.037 -0.120 0.000 1.044 253 A CB 0.314 18.995 19.000 -0.531 0.000 1.140 253 A HN 0.069 nan 8.150 nan 0.000 0.538 254 V N 3.531 123.490 119.914 0.075 0.000 2.409 254 V HA 0.297 4.417 4.120 -0.000 0.000 0.291 254 V C 0.148 176.270 176.094 0.048 0.000 1.020 254 V CA -0.555 61.719 62.300 -0.044 0.000 0.848 254 V CB 1.408 33.194 31.823 -0.061 0.000 0.990 254 V HN 0.952 nan 8.190 nan 0.000 0.430 255 Q N 3.288 123.053 119.800 -0.059 0.000 2.261 255 Q HA 0.530 4.870 4.340 -0.000 0.000 0.252 255 Q C -1.673 174.312 176.000 -0.024 0.000 0.915 255 Q CA -0.383 55.481 55.803 0.101 0.000 0.915 255 Q CB 0.976 29.790 28.738 0.126 0.000 1.204 255 Q HN 0.597 nan 8.270 nan 0.000 0.421 256 F N 2.124 122.066 119.950 -0.013 0.000 2.469 256 F HA 0.300 4.827 4.527 -0.000 0.000 0.332 256 F C 0.239 176.068 175.800 0.047 0.000 1.103 256 F CA -0.729 57.265 58.000 -0.010 0.000 0.979 256 F CB 1.344 40.298 39.000 -0.077 0.000 1.137 256 F HN 0.524 nan 8.300 nan 0.000 0.463 257 H N 5.249 124.378 119.070 0.099 0.000 2.467 257 H HA 0.237 4.793 4.556 -0.000 0.000 0.326 257 H C -1.858 173.443 175.328 -0.045 0.000 1.094 257 H CA -2.106 53.924 56.048 -0.031 0.000 1.253 257 H CB 2.469 32.088 29.762 -0.239 0.000 1.439 257 H HN 0.297 nan 8.280 nan 0.000 0.479 258 P HA -0.109 nan 4.420 nan 0.000 0.217 258 P C 0.687 177.836 177.300 -0.252 0.000 1.150 258 P CA 1.263 64.155 63.100 -0.348 0.000 0.832 258 P CB 0.205 31.665 31.700 -0.400 0.000 0.787 259 T N -4.447 109.936 114.554 -0.285 0.000 3.316 259 T HA 0.438 4.788 4.350 -0.000 0.000 0.253 259 T C -2.893 171.844 174.700 0.063 0.000 0.995 259 T CA -2.039 60.017 62.100 -0.072 0.000 1.031 259 T CB -0.090 68.734 68.868 -0.073 0.000 1.125 259 T HN 0.008 nan 8.240 nan 0.000 0.539 260 P HA 0.165 nan 4.420 nan 0.000 0.287 260 P C 0.444 177.749 177.300 0.009 0.000 1.307 260 P CA -0.811 62.316 63.100 0.046 0.000 0.777 260 P CB 0.541 32.269 31.700 0.046 0.000 0.883 261 L N 5.922 127.126 121.223 -0.031 0.000 2.878 261 L HA -0.077 4.263 4.340 -0.000 0.000 0.285 261 L C -0.403 176.440 176.870 -0.045 0.000 1.090 261 L CA 0.789 55.599 54.840 -0.051 0.000 1.030 261 L CB -1.236 40.771 42.059 -0.087 0.000 1.431 261 L HN 0.329 nan 8.230 nan 0.000 0.456 262 F N 9.192 129.023 119.950 -0.198 0.000 2.443 262 F HA 0.375 4.902 4.527 -0.000 0.000 0.353 262 F C -1.416 174.225 175.800 -0.265 0.000 1.101 262 F CA -1.761 56.114 58.000 -0.210 0.000 1.226 262 F CB 0.788 39.655 39.000 -0.223 0.000 1.140 262 F HN 0.439 nan 8.300 nan 0.000 0.557 263 P HA -0.012 nan 4.420 nan 0.000 0.259 263 P C 1.278 178.378 177.300 -0.335 0.000 1.233 263 P CA 0.921 63.488 63.100 -0.888 0.000 0.827 263 P CB 0.162 31.099 31.700 -1.273 0.000 1.154 264 S N 0.691 116.213 115.700 -0.296 0.000 2.392 264 S HA -0.094 4.376 4.470 -0.000 0.000 0.232 264 S C 1.890 176.408 174.600 -0.137 0.000 1.041 264 S CA 1.859 59.947 58.200 -0.187 0.000 1.026 264 S CB -1.853 61.229 63.200 -0.197 0.000 0.845 264 S HN 0.331 nan 8.310 nan 0.000 0.465 265 G N 0.678 109.410 108.800 -0.114 0.000 2.141 265 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.242 265 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.242 265 G C 0.019 174.855 174.900 -0.108 0.000 0.982 265 G CA 0.078 45.138 45.100 -0.067 0.000 0.662 265 G HN 0.644 nan 8.290 nan 0.000 0.527 266 I N 1.331 121.791 120.570 -0.184 0.000 2.517 266 I HA 0.249 4.419 4.170 -0.000 0.000 0.285 266 I C 1.233 177.245 176.117 -0.175 0.000 1.106 266 I CA -0.830 60.328 61.300 -0.235 0.000 1.402 266 I CB 0.715 38.444 38.000 -0.453 0.000 1.399 266 I HN 0.186 nan 8.210 nan 0.000 0.535 267 L N 7.998 129.127 121.223 -0.156 0.000 2.516 267 L HA 0.010 4.350 4.340 -0.000 0.000 0.288 267 L C -0.563 176.229 176.870 -0.130 0.000 1.246 267 L CA 0.770 55.505 54.840 -0.175 0.000 0.844 267 L CB 0.244 42.164 42.059 -0.231 0.000 1.106 267 L HN 0.429 nan 8.230 nan 0.000 0.509 268 L N 4.654 125.820 121.223 -0.095 0.000 2.529 268 L HA 0.273 4.612 4.340 -0.000 0.000 0.258 268 L C 0.081 176.951 176.870 0.001 0.000 1.032 268 L CA 0.120 54.940 54.840 -0.033 0.000 0.899 268 L CB 0.935 42.992 42.059 -0.003 0.000 1.174 268 L HN 0.844 nan 8.230 nan 0.000 0.458 269 T N 0.463 115.002 114.554 -0.025 0.000 2.726 269 T HA -0.203 4.147 4.350 -0.000 0.000 0.356 269 T C 1.173 175.899 174.700 0.043 0.000 1.048 269 T CA 1.208 63.318 62.100 0.016 0.000 1.132 269 T CB 0.477 69.370 68.868 0.042 0.000 1.071 269 T HN 0.760 nan 8.240 nan 0.000 0.519 270 E N 0.768 120.987 120.200 0.031 0.000 2.447 270 E HA 0.183 4.533 4.350 -0.000 0.000 0.195 270 E C 2.085 178.590 176.600 -0.159 0.000 1.028 270 E CA 0.543 56.813 56.400 -0.217 0.000 0.876 270 E CB -0.629 28.613 29.700 -0.764 0.000 0.885 270 E HN 0.865 nan 8.360 nan 0.000 0.500 271 G N 0.205 109.066 108.800 0.103 0.000 2.535 271 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 271 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 271 G C 1.471 176.362 174.900 -0.014 0.000 1.122 271 G CA 0.633 45.790 45.100 0.095 0.000 0.769 271 G HN 0.345 nan 8.290 nan 0.000 0.549 272 C N -0.042 119.243 119.300 -0.026 0.000 2.413 272 C HA -0.035 4.424 4.460 -0.000 0.000 0.277 272 C C 3.021 177.982 174.990 -0.048 0.000 1.228 272 C CA 1.082 60.083 59.018 -0.028 0.000 1.731 272 C CB -0.657 27.070 27.740 -0.021 0.000 2.042 272 C HN 0.507 nan 8.230 nan 0.000 0.468 273 R N 0.001 120.446 120.500 -0.092 0.000 2.080 273 R HA 0.049 4.389 4.340 -0.000 0.000 0.222 273 R C 2.410 178.634 176.300 -0.126 0.000 1.107 273 R CA 1.243 57.277 56.100 -0.109 0.000 0.980 273 R CB -0.685 29.522 30.300 -0.154 0.000 0.879 273 R HN 0.566 nan 8.270 nan 0.000 0.439 274 G N 0.555 109.260 108.800 -0.159 0.000 2.498 274 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.219 274 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.219 274 G C 0.405 175.189 174.900 -0.194 0.000 1.119 274 G CA 0.826 45.808 45.100 -0.197 0.000 0.766 274 G HN 0.206 nan 8.290 nan 0.000 0.552 275 D N -1.042 119.302 120.400 -0.094 0.000 2.369 275 D HA 0.330 4.970 4.640 -0.000 0.000 0.211 275 D C 1.801 178.111 176.300 0.017 0.000 1.077 275 D CA 0.849 54.830 54.000 -0.032 0.000 0.842 275 D CB 0.437 41.226 40.800 -0.018 0.000 0.947 275 D HN 0.307 nan 8.370 nan 0.000 0.509 276 G N -0.281 108.512 108.800 -0.011 0.000 2.278 276 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.210 276 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.210 276 G C 0.849 175.750 174.900 0.001 0.000 1.000 276 G CA -0.285 44.824 45.100 0.014 0.000 0.635 276 G HN 0.534 nan 8.290 nan 0.000 0.495 277 G N 1.025 109.821 108.800 -0.007 0.000 2.380 277 G HA2 0.550 4.510 3.960 -0.000 0.000 0.242 277 G HA3 0.550 4.510 3.960 -0.000 0.000 0.242 277 G C 0.294 175.189 174.900 -0.008 0.000 1.298 277 G CA 0.662 45.762 45.100 0.000 0.000 0.878 277 G HN 1.451 nan 8.290 nan 0.000 0.542 278 I N -0.400 120.176 120.570 0.010 0.000 2.828 278 I HA 0.493 4.663 4.170 -0.000 0.000 0.302 278 I C -0.314 175.810 176.117 0.011 0.000 1.101 278 I CA -1.460 59.838 61.300 -0.003 0.000 1.031 278 I CB 2.213 40.209 38.000 -0.007 0.000 1.231 278 I HN 0.189 nan 8.210 nan 0.000 0.427 279 L N 3.685 124.898 121.223 -0.018 0.000 2.418 279 L HA 0.406 4.746 4.340 -0.000 0.000 0.274 279 L C 0.378 177.232 176.870 -0.027 0.000 1.135 279 L CA -0.048 54.782 54.840 -0.018 0.000 0.870 279 L CB 0.037 42.059 42.059 -0.061 0.000 1.154 279 L HN 0.626 nan 8.230 nan 0.000 0.462 280 R N 2.246 122.742 120.500 -0.007 0.000 2.368 280 R HA 0.223 4.563 4.340 -0.000 0.000 0.302 280 R C -0.404 175.890 176.300 -0.011 0.000 1.002 280 R CA -0.656 55.408 56.100 -0.060 0.000 0.929 280 R CB 1.213 31.376 30.300 -0.229 0.000 1.073 280 R HN 0.566 nan 8.270 nan 0.000 0.464 281 D N 1.672 122.076 120.400 0.006 0.000 2.277 281 D HA 0.000 4.640 4.640 -0.000 0.000 0.279 281 D C 1.125 177.476 176.300 0.085 0.000 1.197 281 D CA -0.133 53.859 54.000 -0.013 0.000 1.037 281 D CB 0.462 41.277 40.800 0.025 0.000 1.128 281 D HN 0.251 nan 8.370 nan 0.000 0.531 282 V N -0.239 119.748 119.914 0.122 0.000 2.825 282 V HA -0.061 4.059 4.120 -0.000 0.000 0.246 282 V C 1.239 177.379 176.094 0.076 0.000 1.068 282 V CA 1.183 63.617 62.300 0.222 0.000 1.088 282 V CB -0.243 31.809 31.823 0.381 0.000 0.733 282 V HN 0.310 nan 8.190 nan 0.000 0.468 283 D N 0.676 121.087 120.400 0.018 0.000 2.123 283 D HA 0.196 4.836 4.640 -0.000 0.000 0.200 283 D C 1.203 177.358 176.300 -0.241 0.000 0.976 283 D CA 1.496 55.376 54.000 -0.200 0.000 0.831 283 D CB -0.001 40.468 40.800 -0.551 0.000 0.974 283 D HN 0.489 nan 8.370 nan 0.000 0.469 284 G N 0.093 108.821 108.800 -0.121 0.000 2.894 284 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.263 284 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.263 284 G C -0.063 174.844 174.900 0.012 0.000 1.013 284 G CA 0.177 45.196 45.100 -0.136 0.000 1.226 284 G HN 0.629 nan 8.290 nan 0.000 0.563 285 H N -0.861 118.125 119.070 -0.139 0.000 5.276 285 H HA 0.692 5.248 4.556 -0.000 0.000 0.086 285 H C 0.465 175.760 175.328 -0.054 0.000 1.309 285 H CA -0.557 55.439 56.048 -0.087 0.000 0.458 285 H CB 0.990 30.708 29.762 -0.074 0.000 1.614 285 H HN 0.336 nan 8.280 nan 0.000 0.093 286 R N 0.332 120.671 120.500 -0.268 0.000 3.090 286 R HA 0.037 4.377 4.340 -0.000 0.000 0.264 286 R C -1.565 174.575 176.300 -0.267 0.000 1.380 286 R CA -0.176 55.802 56.100 -0.203 0.000 0.952 286 R CB 0.453 30.714 30.300 -0.064 0.000 1.428 286 R HN 0.369 nan 8.270 nan 0.000 0.371 287 F N 2.217 121.887 119.950 -0.467 0.000 2.816 287 F HA 0.107 4.634 4.527 -0.000 0.000 0.302 287 F C 1.551 177.284 175.800 -0.112 0.000 1.178 287 F CA 0.048 57.864 58.000 -0.307 0.000 1.421 287 F CB 0.036 38.863 39.000 -0.288 0.000 1.114 287 F HN 0.466 nan 8.300 nan 0.000 0.573 288 M N 1.527 121.175 119.600 0.079 0.000 4.920 288 M HA -0.118 4.362 4.480 -0.000 0.000 0.333 288 M C -1.144 175.209 176.300 0.089 0.000 1.122 288 M CA 1.770 57.099 55.300 0.047 0.000 1.055 288 M CB -1.343 31.256 32.600 -0.002 0.000 1.014 288 M HN -0.268 nan 8.290 nan 0.000 0.806 289 P HA -0.034 nan 4.420 nan 0.000 0.285 289 P C -0.414 176.934 177.300 0.080 0.000 1.521 289 P CA 0.605 63.741 63.100 0.060 0.000 0.792 289 P CB -0.275 31.448 31.700 0.038 0.000 1.613 290 D N -1.346 119.139 120.400 0.142 0.000 2.320 290 D HA -0.131 4.509 4.640 -0.000 0.000 0.228 290 D C 1.435 177.920 176.300 0.308 0.000 0.978 290 D CA 0.960 55.060 54.000 0.168 0.000 0.905 290 D CB -0.308 40.570 40.800 0.131 0.000 1.051 290 D HN 0.087 nan 8.370 nan 0.000 0.471 291 Y N 0.806 121.336 120.300 0.382 0.000 2.269 291 Y HA 0.255 4.805 4.550 -0.000 0.000 0.294 291 Y C 0.103 176.085 175.900 0.137 0.000 1.120 291 Y CA 0.918 59.210 58.100 0.320 0.000 1.159 291 Y CB 0.502 38.993 38.460 0.051 0.000 1.024 291 Y HN -0.119 nan 8.280 nan 0.000 0.532 292 E N 0.516 120.725 120.200 0.016 0.000 2.502 292 E HA 0.255 4.605 4.350 -0.000 0.000 0.261 292 E C -2.708 173.902 176.600 0.017 0.000 0.974 292 E CA -2.322 54.037 56.400 -0.068 0.000 0.795 292 E CB 1.593 31.246 29.700 -0.078 0.000 1.385 292 E HN -0.007 nan 8.360 nan 0.000 0.400 293 P HA 0.022 nan 4.420 nan 0.000 0.256 293 P C -1.000 176.330 177.300 0.050 0.000 1.688 293 P CA 0.309 63.431 63.100 0.037 0.000 1.162 293 P CB 0.025 31.744 31.700 0.032 0.000 1.870 294 E N 1.732 121.961 120.200 0.047 0.000 2.569 294 E HA 0.005 4.354 4.350 -0.000 0.000 0.085 294 E C -0.940 175.673 176.600 0.022 0.000 0.760 294 E CA -0.803 55.631 56.400 0.056 0.000 1.499 294 E CB -1.139 28.619 29.700 0.097 0.000 0.969 294 E HN 0.252 nan 8.360 nan 0.000 0.392 295 K N 0.461 120.869 120.400 0.012 0.000 6.826 295 K HA -0.267 4.053 4.320 -0.000 0.000 0.788 295 K C 0.244 176.819 176.600 -0.041 0.000 2.287 295 K CA 0.917 57.197 56.287 -0.012 0.000 1.704 295 K CB -0.693 31.794 32.500 -0.022 0.000 2.053 295 K HN 0.148 nan 8.250 nan 0.000 0.296 296 K N 1.614 122.000 120.400 -0.023 0.000 2.020 296 K HA -0.217 4.103 4.320 -0.000 0.000 0.212 296 K C 0.830 177.367 176.600 -0.106 0.000 1.050 296 K CA 2.147 58.412 56.287 -0.036 0.000 0.929 296 K CB 0.041 32.530 32.500 -0.019 0.000 0.714 296 K HN 0.724 nan 8.250 nan 0.000 0.443 297 E N 1.244 121.378 120.200 -0.110 0.000 2.373 297 E HA -0.064 4.286 4.350 -0.000 0.000 0.263 297 E C 0.204 176.705 176.600 -0.164 0.000 1.073 297 E CA -0.018 56.291 56.400 -0.151 0.000 0.894 297 E CB 0.578 30.203 29.700 -0.126 0.000 1.008 297 E HN 0.317 nan 8.360 nan 0.000 0.420 298 L N -0.488 120.605 121.223 -0.216 0.000 3.512 298 L HA -0.223 4.117 4.340 -0.000 0.000 0.446 298 L C -0.321 176.397 176.870 -0.254 0.000 1.290 298 L CA 0.706 55.416 54.840 -0.217 0.000 0.871 298 L CB -2.071 39.896 42.059 -0.153 0.000 1.767 298 L HN 0.811 nan 8.230 nan 0.000 0.855 299 A N -0.495 122.126 122.820 -0.331 0.000 2.587 299 A HA 0.799 5.119 4.320 -0.000 0.000 0.293 299 A C 0.342 177.652 177.584 -0.457 0.000 1.087 299 A CA 0.189 51.910 52.037 -0.526 0.000 0.692 299 A CB 1.556 20.327 19.000 -0.381 0.000 1.291 299 A HN 0.463 nan 8.150 nan 0.000 0.407 300 S N 0.532 115.898 115.700 -0.557 0.000 2.580 300 S HA 0.170 4.640 4.470 -0.000 0.000 0.261 300 S C 1.107 175.620 174.600 -0.144 0.000 1.366 300 S CA 0.255 58.318 58.200 -0.229 0.000 0.996 300 S CB 0.337 63.517 63.200 -0.033 0.000 0.902 300 S HN 0.710 nan 8.310 nan 0.000 0.566 301 R N 1.766 122.226 120.500 -0.066 0.000 2.096 301 R HA -0.095 4.245 4.340 -0.000 0.000 0.229 301 R C 2.256 178.531 176.300 -0.043 0.000 1.134 301 R CA 2.000 58.072 56.100 -0.047 0.000 0.917 301 R CB -1.347 28.984 30.300 0.052 0.000 0.832 301 R HN 0.969 nan 8.270 nan 0.000 0.430 302 D N 0.336 120.743 120.400 0.011 0.000 2.254 302 D HA -0.166 4.474 4.640 -0.000 0.000 0.201 302 D C 1.352 177.630 176.300 -0.036 0.000 0.998 302 D CA 1.354 55.347 54.000 -0.012 0.000 0.885 302 D CB 0.003 40.838 40.800 0.059 0.000 0.915 302 D HN 0.131 nan 8.370 nan 0.000 0.460 303 V N 0.750 120.653 119.914 -0.018 0.000 2.355 303 V HA -0.189 3.931 4.120 -0.000 0.000 0.224 303 V C 2.864 178.917 176.094 -0.068 0.000 1.073 303 V CA 1.165 63.466 62.300 0.001 0.000 1.059 303 V CB -0.476 31.332 31.823 -0.025 0.000 0.678 303 V HN 0.105 nan 8.190 nan 0.000 0.479 304 V N 0.741 120.580 119.914 -0.125 0.000 2.592 304 V HA -0.304 3.816 4.120 -0.000 0.000 0.262 304 V C 2.247 178.220 176.094 -0.201 0.000 1.108 304 V CA 2.355 64.555 62.300 -0.166 0.000 1.121 304 V CB -1.338 30.358 31.823 -0.211 0.000 0.689 304 V HN 0.568 nan 8.190 nan 0.000 0.479 305 S N -1.120 114.464 115.700 -0.193 0.000 2.412 305 S HA 0.011 4.481 4.470 -0.000 0.000 0.223 305 S C 1.920 176.363 174.600 -0.262 0.000 1.048 305 S CA 0.572 58.643 58.200 -0.215 0.000 0.954 305 S CB -0.193 62.897 63.200 -0.184 0.000 0.840 305 S HN 0.473 nan 8.310 nan 0.000 0.503 306 R N 1.802 122.131 120.500 -0.286 0.000 2.206 306 R HA -0.233 4.107 4.340 -0.000 0.000 0.240 306 R C 2.490 178.666 176.300 -0.206 0.000 1.117 306 R CA 2.258 58.167 56.100 -0.318 0.000 0.915 306 R CB -0.441 29.781 30.300 -0.130 0.000 0.888 306 R HN 0.330 nan 8.270 nan 0.000 0.432 307 R N 1.254 121.507 120.500 -0.411 0.000 2.193 307 R HA -0.110 4.230 4.340 -0.000 0.000 0.229 307 R C 1.755 177.779 176.300 -0.459 0.000 1.110 307 R CA 1.761 57.453 56.100 -0.680 0.000 0.988 307 R CB -0.730 28.691 30.300 -1.466 0.000 0.871 307 R HN 0.420 nan 8.270 nan 0.000 0.458 308 M N 0.171 119.571 119.600 -0.333 0.000 2.539 308 M HA -0.024 4.456 4.480 -0.000 0.000 0.261 308 M C 1.089 177.323 176.300 -0.110 0.000 1.069 308 M CA 1.020 56.191 55.300 -0.214 0.000 1.081 308 M CB 0.015 32.499 32.600 -0.193 0.000 1.412 308 M HN 0.033 nan 8.290 nan 0.000 0.482 309 I N -1.250 119.269 120.570 -0.086 0.000 3.939 309 I HA 0.021 4.191 4.170 -0.000 0.000 0.313 309 I C 1.822 177.965 176.117 0.043 0.000 1.274 309 I CA 0.671 61.974 61.300 0.005 0.000 1.301 309 I CB -0.774 37.260 38.000 0.058 0.000 1.105 309 I HN 0.260 nan 8.210 nan 0.000 0.427 310 E N 0.583 120.785 120.200 0.003 0.000 2.015 310 E HA -0.264 4.086 4.350 -0.000 0.000 0.191 310 E C 2.064 178.705 176.600 0.068 0.000 0.991 310 E CA 1.392 57.788 56.400 -0.005 0.000 0.802 310 E CB -0.177 29.453 29.700 -0.116 0.000 0.759 310 E HN 0.429 nan 8.360 nan 0.000 0.447 311 H N 0.673 119.767 119.070 0.040 0.000 2.394 311 H HA -0.141 4.415 4.556 -0.000 0.000 0.297 311 H C 1.861 177.234 175.328 0.074 0.000 1.113 311 H CA 1.901 58.056 56.048 0.177 0.000 1.277 311 H CB -0.097 29.822 29.762 0.263 0.000 1.370 311 H HN 0.119 nan 8.280 nan 0.000 0.506 312 I N -0.307 120.305 120.570 0.070 0.000 2.353 312 I HA -0.173 3.997 4.170 -0.000 0.000 0.248 312 I C 2.284 178.380 176.117 -0.036 0.000 1.119 312 I CA 0.975 62.272 61.300 -0.006 0.000 1.417 312 I CB -0.250 37.751 38.000 0.002 0.000 1.078 312 I HN 0.221 nan 8.210 nan 0.000 0.421 313 R N 1.106 121.595 120.500 -0.018 0.000 2.280 313 R HA -0.060 4.280 4.340 -0.000 0.000 0.207 313 R C 1.243 177.519 176.300 -0.041 0.000 1.043 313 R CA 0.579 56.665 56.100 -0.024 0.000 1.006 313 R CB -0.089 30.199 30.300 -0.020 0.000 0.885 313 R HN 0.299 nan 8.270 nan 0.000 0.467 314 K N -0.320 120.044 120.400 -0.059 0.000 2.504 314 K HA 0.113 4.433 4.320 -0.000 0.000 0.199 314 K C 0.869 177.412 176.600 -0.096 0.000 1.028 314 K CA 0.433 56.678 56.287 -0.071 0.000 1.164 314 K CB 0.637 33.092 32.500 -0.075 0.000 0.877 314 K HN 0.259 nan 8.250 nan 0.000 0.508 315 G N 1.472 110.222 108.800 -0.084 0.000 2.212 315 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.266 315 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.266 315 G C 0.652 175.492 174.900 -0.100 0.000 0.978 315 G CA 0.212 45.267 45.100 -0.074 0.000 0.632 315 G HN 0.241 nan 8.290 nan 0.000 0.537 316 K N 1.231 121.518 120.400 -0.188 0.000 2.630 316 K HA 0.172 4.492 4.320 -0.000 0.000 0.204 316 K C 1.317 177.858 176.600 -0.099 0.000 1.024 316 K CA 0.593 56.735 56.287 -0.242 0.000 1.157 316 K CB -0.131 31.935 32.500 -0.724 0.000 0.899 316 K HN 0.513 nan 8.250 nan 0.000 0.501 317 G N 1.145 109.907 108.800 -0.063 0.000 2.530 317 G HA2 0.100 4.060 3.960 -0.000 0.000 0.313 317 G HA3 0.100 4.060 3.960 -0.000 0.000 0.313 317 G C -0.046 174.818 174.900 -0.061 0.000 0.971 317 G CA -0.415 44.658 45.100 -0.045 0.000 1.237 317 G HN 0.114 nan 8.290 nan 0.000 0.446 318 V N 5.330 125.212 119.914 -0.052 0.000 1.956 318 V HA 0.039 4.159 4.120 -0.000 0.000 0.248 318 V C 1.230 177.219 176.094 -0.177 0.000 1.615 318 V CA -0.540 61.737 62.300 -0.037 0.000 1.558 318 V CB -0.787 31.093 31.823 0.094 0.000 1.529 318 V HN 0.863 nan 8.190 nan 0.000 0.505 319 Q N 3.728 123.450 119.800 -0.130 0.000 3.055 319 Q HA 0.184 4.524 4.340 -0.000 0.000 0.190 319 Q C 0.149 176.205 176.000 0.094 0.000 1.173 319 Q CA 0.781 56.540 55.803 -0.074 0.000 1.266 319 Q CB 0.301 29.049 28.738 0.018 0.000 1.338 319 Q HN 0.737 nan 8.270 nan 0.000 0.707 320 S N -2.731 113.107 115.700 0.229 0.000 2.790 320 S HA 0.449 4.919 4.470 -0.000 0.000 0.292 320 S C -2.510 172.165 174.600 0.126 0.000 1.197 320 S CA -0.981 57.385 58.200 0.276 0.000 0.851 320 S CB 0.886 64.426 63.200 0.566 0.000 1.217 320 S HN 0.451 nan 8.310 nan 0.000 0.526 321 P HA 0.183 nan 4.420 nan 0.000 0.251 321 P C -0.480 176.572 177.300 -0.414 0.000 1.251 321 P CA 0.809 63.693 63.100 -0.361 0.000 0.763 321 P CB -0.448 30.923 31.700 -0.549 0.000 1.067 322 Y N -2.753 117.656 120.300 0.182 0.000 2.435 322 Y HA 0.538 5.087 4.550 -0.000 0.000 0.270 322 Y C 1.210 177.349 175.900 0.400 0.000 1.093 322 Y CA -0.107 58.129 58.100 0.227 0.000 1.226 322 Y CB 0.351 38.862 38.460 0.086 0.000 1.289 322 Y HN -0.132 nan 8.280 nan 0.000 0.529 323 G N 0.296 109.449 108.800 0.590 0.000 2.345 323 G HA2 0.269 4.229 3.960 -0.000 0.000 0.310 323 G HA3 0.269 4.229 3.960 -0.000 0.000 0.310 323 G C -1.703 173.227 174.900 0.051 0.000 1.476 323 G CA -1.357 43.922 45.100 0.299 0.000 0.978 323 G HN -0.069 nan 8.290 nan 0.000 0.656 324 Q N 0.023 119.753 119.800 -0.116 0.000 2.584 324 Q HA 0.616 4.956 4.340 -0.000 0.000 0.235 324 Q C 0.595 176.338 176.000 -0.427 0.000 1.079 324 Q CA 0.752 56.404 55.803 -0.251 0.000 0.977 324 Q CB 0.615 29.266 28.738 -0.145 0.000 1.293 324 Q HN 1.168 nan 8.270 nan 0.000 0.553 325 H N -2.822 116.065 119.070 -0.305 0.000 2.838 325 H HA 0.605 5.161 4.556 -0.000 0.000 0.269 325 H C -1.542 173.596 175.328 -0.316 0.000 1.463 325 H CA -0.883 54.904 56.048 -0.435 0.000 1.141 325 H CB -0.028 29.307 29.762 -0.712 0.000 1.821 325 H HN 0.428 nan 8.280 nan 0.000 0.544 326 L N -1.708 119.471 121.223 -0.074 0.000 2.305 326 L HA 0.702 5.042 4.340 -0.000 0.000 0.261 326 L C -1.051 175.582 176.870 -0.395 0.000 1.100 326 L CA -0.847 53.935 54.840 -0.097 0.000 1.073 326 L CB 1.245 43.291 42.059 -0.023 0.000 1.656 326 L HN 0.608 nan 8.230 nan 0.000 0.536 327 W N 0.242 121.600 121.300 0.095 0.000 3.167 327 W HA 0.584 5.244 4.660 -0.000 0.000 0.324 327 W C -1.459 175.117 176.519 0.095 0.000 1.230 327 W CA -0.381 57.056 57.345 0.153 0.000 1.184 327 W CB 1.329 30.945 29.460 0.259 0.000 1.414 327 W HN -0.043 nan 8.180 nan 0.000 0.551 328 L N 2.789 124.235 121.223 0.371 0.000 2.345 328 L HA 0.466 4.806 4.340 -0.000 0.000 0.274 328 L C -0.833 176.218 176.870 0.300 0.000 0.999 328 L CA -0.363 54.614 54.840 0.227 0.000 0.849 328 L CB 0.645 42.773 42.059 0.115 0.000 1.220 328 L HN 0.369 nan 8.230 nan 0.000 0.422 329 D N 4.555 125.127 120.400 0.286 0.000 2.411 329 D HA 0.256 4.896 4.640 -0.000 0.000 0.225 329 D C 0.974 177.371 176.300 0.161 0.000 1.156 329 D CA 0.052 54.248 54.000 0.328 0.000 0.874 329 D CB 0.502 41.563 40.800 0.436 0.000 1.034 329 D HN 0.588 nan 8.370 nan 0.000 0.502 330 I N 0.670 121.310 120.570 0.116 0.000 3.974 330 I HA 0.147 4.317 4.170 -0.000 0.000 0.334 330 I C 1.484 177.614 176.117 0.022 0.000 1.437 330 I CA -0.340 60.990 61.300 0.050 0.000 1.113 330 I CB 0.256 38.275 38.000 0.032 0.000 1.063 330 I HN 0.177 nan 8.210 nan 0.000 0.400 331 S N 2.126 117.851 115.700 0.042 0.000 2.400 331 S HA -0.019 4.451 4.470 -0.000 0.000 0.232 331 S C 1.014 175.605 174.600 -0.015 0.000 1.025 331 S CA 0.751 58.953 58.200 0.003 0.000 0.993 331 S CB -0.645 62.559 63.200 0.007 0.000 0.808 331 S HN 0.571 nan 8.310 nan 0.000 0.478 332 I N 1.611 122.182 120.570 0.002 0.000 2.412 332 I HA 0.490 4.660 4.170 -0.000 0.000 0.279 332 I C -0.079 176.009 176.117 -0.049 0.000 1.063 332 I CA -0.142 61.144 61.300 -0.023 0.000 1.193 332 I CB 1.096 39.101 38.000 0.009 0.000 1.370 332 I HN 0.259 nan 8.210 nan 0.000 0.479 333 L N 5.220 126.367 121.223 -0.126 0.000 3.119 333 L HA 0.230 4.570 4.340 -0.000 0.000 0.362 333 L C 0.317 176.907 176.870 -0.467 0.000 1.251 333 L CA -0.146 54.579 54.840 -0.193 0.000 0.931 333 L CB -0.014 41.999 42.059 -0.077 0.000 1.173 333 L HN 0.747 nan 8.230 nan 0.000 0.547 334 G N 0.933 109.429 108.800 -0.507 0.000 2.954 334 G HA2 -0.313 3.646 3.960 -0.000 0.000 0.672 334 G HA3 -0.313 3.646 3.960 -0.000 0.000 0.672 334 G C 0.139 174.910 174.900 -0.215 0.000 1.598 334 G CA 0.280 45.043 45.100 -0.562 0.000 1.063 334 G HN 0.472 nan 8.290 nan 0.000 0.584 335 R N 0.585 121.056 120.500 -0.048 0.000 2.388 335 R HA 0.153 4.493 4.340 -0.000 0.000 0.247 335 R C 1.745 178.093 176.300 0.081 0.000 0.931 335 R CA 0.804 56.911 56.100 0.012 0.000 1.082 335 R CB -0.071 30.230 30.300 0.001 0.000 1.135 335 R HN 0.482 nan 8.270 nan 0.000 0.525 336 K N -1.330 119.199 120.400 0.215 0.000 2.424 336 K HA 0.059 4.379 4.320 -0.000 0.000 0.198 336 K C 0.886 177.612 176.600 0.210 0.000 1.190 336 K CA 0.643 57.048 56.287 0.197 0.000 0.935 336 K CB 0.266 32.867 32.500 0.168 0.000 1.087 336 K HN 0.127 nan 8.250 nan 0.000 0.524 337 H N -0.197 118.866 119.070 -0.012 0.000 2.551 337 H HA 0.246 4.802 4.556 -0.000 0.000 0.266 337 H C 1.229 176.539 175.328 -0.031 0.000 0.977 337 H CA 0.830 56.865 56.048 -0.021 0.000 1.163 337 H CB 0.045 29.803 29.762 -0.007 0.000 1.381 337 H HN 0.184 nan 8.280 nan 0.000 0.581 338 I N -0.531 120.103 120.570 0.105 0.000 3.194 338 I HA -0.012 4.158 4.170 -0.000 0.000 0.271 338 I C 1.923 178.053 176.117 0.023 0.000 1.150 338 I CA 0.254 61.575 61.300 0.036 0.000 1.440 338 I CB 0.268 38.273 38.000 0.009 0.000 1.276 338 I HN 0.102 nan 8.210 nan 0.000 0.457 339 E N 1.187 121.404 120.200 0.029 0.000 2.516 339 E HA -0.029 4.321 4.350 -0.000 0.000 0.199 339 E C -0.555 176.050 176.600 0.008 0.000 1.069 339 E CA 0.646 57.056 56.400 0.016 0.000 0.876 339 E CB 0.282 29.993 29.700 0.017 0.000 0.843 339 E HN 0.292 nan 8.360 nan 0.000 0.530 340 T N -0.345 114.212 114.554 0.005 0.000 2.942 340 T HA 0.155 4.505 4.350 -0.000 0.000 0.327 340 T C -0.294 174.385 174.700 -0.036 0.000 1.360 340 T CA -0.739 61.352 62.100 -0.015 0.000 1.055 340 T CB 1.394 70.254 68.868 -0.014 0.000 1.261 340 T HN 0.029 nan 8.240 nan 0.000 0.485 341 N N 0.308 118.968 118.700 -0.066 0.000 2.900 341 N HA -0.146 4.594 4.740 -0.000 0.000 0.240 341 N C -0.047 175.396 175.510 -0.111 0.000 0.953 341 N CA 1.170 54.139 53.050 -0.136 0.000 0.950 341 N CB -0.677 37.683 38.487 -0.213 0.000 1.102 341 N HN 0.656 nan 8.380 nan 0.000 0.593 342 L N -0.326 120.863 121.223 -0.056 0.000 3.263 342 L HA 0.195 4.535 4.340 -0.000 0.000 0.349 342 L C 1.497 178.358 176.870 -0.015 0.000 1.313 342 L CA -0.254 54.567 54.840 -0.032 0.000 0.830 342 L CB 0.495 42.544 42.059 -0.017 0.000 1.271 342 L HN -0.039 nan 8.230 nan 0.000 0.596 343 R N 0.564 121.051 120.500 -0.023 0.000 2.062 343 R HA -0.136 4.204 4.340 -0.000 0.000 0.231 343 R C 1.470 177.772 176.300 0.003 0.000 1.136 343 R CA 2.068 58.161 56.100 -0.011 0.000 0.948 343 R CB 0.299 30.584 30.300 -0.025 0.000 0.845 343 R HN 0.264 nan 8.270 nan 0.000 0.430 344 D N -0.177 120.216 120.400 -0.013 0.000 2.084 344 D HA -0.099 4.541 4.640 -0.000 0.000 0.196 344 D C 1.381 177.695 176.300 0.023 0.000 0.985 344 D CA 1.136 55.135 54.000 -0.001 0.000 0.826 344 D CB -0.037 40.742 40.800 -0.035 0.000 0.978 344 D HN 0.033 nan 8.370 nan 0.000 0.456 345 V N 1.214 121.129 119.914 0.003 0.000 3.442 345 V HA -0.090 4.030 4.120 -0.000 0.000 0.278 345 V C 1.622 177.732 176.094 0.026 0.000 1.215 345 V CA 0.904 63.208 62.300 0.007 0.000 1.227 345 V CB -0.774 31.045 31.823 -0.006 0.000 0.987 345 V HN 0.242 nan 8.190 nan 0.000 0.468 346 Q N -0.606 119.220 119.800 0.044 0.000 2.519 346 Q HA 0.034 4.374 4.340 -0.000 0.000 0.248 346 Q C 1.784 177.830 176.000 0.077 0.000 0.804 346 Q CA 0.066 55.895 55.803 0.044 0.000 0.979 346 Q CB 0.474 29.228 28.738 0.026 0.000 1.282 346 Q HN 0.626 nan 8.270 nan 0.000 0.558 347 E N 0.910 121.188 120.200 0.131 0.000 2.107 347 E HA -0.104 4.246 4.350 -0.000 0.000 0.191 347 E C 1.934 178.776 176.600 0.403 0.000 0.982 347 E CA 0.914 57.482 56.400 0.279 0.000 0.809 347 E CB 0.231 30.120 29.700 0.315 0.000 0.756 347 E HN 0.321 nan 8.360 nan 0.000 0.459 348 I N 1.118 121.857 120.570 0.282 0.000 2.194 348 I HA -0.308 3.862 4.170 -0.000 0.000 0.246 348 I C 2.337 178.668 176.117 0.357 0.000 1.093 348 I CA 1.156 62.643 61.300 0.311 0.000 1.355 348 I CB -1.447 36.588 38.000 0.059 0.000 1.046 348 I HN 0.268 nan 8.210 nan 0.000 0.413 349 C N 0.278 119.689 119.300 0.185 0.000 2.446 349 C HA -0.062 4.398 4.460 -0.000 0.000 0.279 349 C C 2.597 177.639 174.990 0.087 0.000 1.366 349 C CA 0.214 59.306 59.018 0.124 0.000 1.763 349 C CB -0.975 26.804 27.740 0.064 0.000 1.929 349 C HN 0.524 nan 8.230 nan 0.000 0.509 350 E N -0.369 119.851 120.200 0.033 0.000 2.060 350 E HA -0.086 4.264 4.350 -0.000 0.000 0.189 350 E C 1.652 178.114 176.600 -0.229 0.000 0.974 350 E CA 1.045 57.358 56.400 -0.145 0.000 0.808 350 E CB -0.202 29.319 29.700 -0.297 0.000 0.768 350 E HN 0.731 nan 8.360 nan 0.000 0.453 351 Y N -0.779 119.495 120.300 -0.044 0.000 2.373 351 Y HA -0.121 4.429 4.550 -0.000 0.000 0.293 351 Y C 1.494 177.099 175.900 -0.491 0.000 1.129 351 Y CA 0.831 58.764 58.100 -0.278 0.000 1.226 351 Y CB 0.103 38.328 38.460 -0.393 0.000 1.000 351 Y HN 0.029 nan 8.280 nan 0.000 0.549 352 F N -2.074 117.921 119.950 0.075 0.000 2.482 352 F HA 0.269 4.796 4.527 -0.000 0.000 0.278 352 F C 2.268 178.048 175.800 -0.033 0.000 0.969 352 F CA 0.506 58.512 58.000 0.011 0.000 1.223 352 F CB -1.065 37.932 39.000 -0.006 0.000 1.140 352 F HN -0.226 nan 8.300 nan 0.000 0.672 353 A N 0.323 123.247 122.820 0.173 0.000 2.172 353 A HA 0.265 4.585 4.320 -0.000 0.000 0.216 353 A C 1.900 179.504 177.584 0.033 0.000 1.154 353 A CA 0.968 53.045 52.037 0.067 0.000 0.701 353 A CB -1.682 17.355 19.000 0.062 0.000 0.789 353 A HN 0.774 nan 8.150 nan 0.000 0.465 354 G N -0.703 108.099 108.800 0.003 0.000 2.356 354 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.296 354 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.296 354 G C 0.004 174.882 174.900 -0.037 0.000 1.022 354 G CA 1.044 46.120 45.100 -0.040 0.000 0.961 354 G HN 1.605 nan 8.290 nan 0.000 0.510 355 I N -5.172 115.377 120.570 -0.035 0.000 3.334 355 I HA 0.801 4.971 4.170 -0.000 0.000 0.316 355 I C -0.950 175.134 176.117 -0.054 0.000 1.251 355 I CA -2.088 59.186 61.300 -0.043 0.000 0.929 355 I CB 1.600 39.589 38.000 -0.017 0.000 1.317 355 I HN -0.071 nan 8.210 nan 0.000 0.479 356 D N 1.170 121.529 120.400 -0.068 0.000 2.192 356 D HA 0.473 5.113 4.640 -0.000 0.000 0.246 356 D C -2.150 174.117 176.300 -0.054 0.000 1.042 356 D CA -1.808 52.154 54.000 -0.064 0.000 0.847 356 D CB 2.874 43.629 40.800 -0.074 0.000 1.186 356 D HN 0.291 nan 8.370 nan 0.000 0.461 357 P HA 0.007 nan 4.420 nan 0.000 0.215 357 P C 0.615 177.901 177.300 -0.022 0.000 1.157 357 P CA 0.953 64.047 63.100 -0.010 0.000 0.856 357 P CB 0.230 31.934 31.700 0.007 0.000 0.786 358 A N -0.534 122.268 122.820 -0.030 0.000 2.255 358 A HA -0.101 4.219 4.320 -0.000 0.000 0.206 358 A C 1.982 179.534 177.584 -0.055 0.000 1.193 358 A CA 0.797 52.812 52.037 -0.036 0.000 0.794 358 A CB -1.029 17.952 19.000 -0.031 0.000 0.794 358 A HN 0.195 nan 8.150 nan 0.000 0.481 359 E N -0.243 119.910 120.200 -0.078 0.000 2.176 359 E HA 0.121 4.471 4.350 -0.000 0.000 0.194 359 E C 0.875 177.355 176.600 -0.200 0.000 0.947 359 E CA 0.224 56.550 56.400 -0.123 0.000 0.960 359 E CB 0.096 29.716 29.700 -0.134 0.000 1.002 359 E HN 0.439 nan 8.360 nan 0.000 0.479 360 K N -0.753 119.495 120.400 -0.253 0.000 2.307 360 K HA 0.241 4.561 4.320 -0.000 0.000 0.239 360 K C -0.925 175.549 176.600 -0.209 0.000 1.083 360 K CA -0.910 55.078 56.287 -0.499 0.000 0.913 360 K CB 0.951 33.054 32.500 -0.661 0.000 1.322 360 K HN 0.089 nan 8.250 nan 0.000 0.514 361 W N 0.463 121.825 121.300 0.102 0.000 2.512 361 W HA 0.657 5.317 4.660 -0.000 0.000 0.335 361 W C -0.484 176.305 176.519 0.451 0.000 1.088 361 W CA -1.246 56.240 57.345 0.235 0.000 1.236 361 W CB 0.572 30.190 29.460 0.264 0.000 1.307 361 W HN 0.555 nan 8.180 nan 0.000 0.567 362 A N 4.162 127.313 122.820 0.552 0.000 2.295 362 A HA 0.577 4.897 4.320 -0.000 0.000 0.318 362 A C -2.044 175.577 177.584 0.061 0.000 1.134 362 A CA -1.688 50.547 52.037 0.331 0.000 0.827 362 A CB 0.417 19.500 19.000 0.137 0.000 1.136 362 A HN 0.355 nan 8.150 nan 0.000 0.493 363 P HA 0.153 nan 4.420 nan 0.000 0.230 363 P C 0.251 177.262 177.300 -0.482 0.000 1.791 363 P CA 0.164 62.692 63.100 -0.954 0.000 1.020 363 P CB -0.482 30.744 31.700 -0.792 0.000 1.977 364 V N 1.285 121.001 119.914 -0.330 0.000 3.556 364 V HA 0.672 4.792 4.120 -0.000 0.000 0.292 364 V C -0.300 175.706 176.094 -0.146 0.000 1.030 364 V CA -0.790 61.433 62.300 -0.127 0.000 1.009 364 V CB 1.029 32.807 31.823 -0.076 0.000 1.242 364 V HN 0.245 nan 8.190 nan 0.000 0.431 365 L N -0.387 120.789 121.223 -0.079 0.000 4.439 365 L HA 0.499 4.839 4.340 -0.000 0.000 0.261 365 L C -3.069 173.784 176.870 -0.028 0.000 1.052 365 L CA -0.528 54.244 54.840 -0.114 0.000 1.191 365 L CB 0.868 42.762 42.059 -0.275 0.000 1.969 365 L HN 0.605 nan 8.230 nan 0.000 0.580 366 P HA 0.285 nan 4.420 nan 0.000 0.263 366 P C -0.822 176.545 177.300 0.111 0.000 1.168 366 P CA 0.771 63.881 63.100 0.017 0.000 0.759 366 P CB 0.383 32.065 31.700 -0.031 0.000 0.782 367 M N 0.565 120.260 119.600 0.157 0.000 2.721 367 M HA 0.232 4.712 4.480 -0.000 0.000 0.271 367 M C -0.376 175.918 176.300 -0.010 0.000 1.259 367 M CA -0.991 54.397 55.300 0.147 0.000 0.835 367 M CB 1.701 34.351 32.600 0.083 0.000 1.689 367 M HN 0.202 nan 8.290 nan 0.000 0.470 368 Q N 1.181 120.771 119.800 -0.350 0.000 2.386 368 Q HA -0.049 4.291 4.340 -0.000 0.000 0.282 368 Q C -0.668 175.138 176.000 -0.324 0.000 1.050 368 Q CA 1.430 56.740 55.803 -0.821 0.000 0.918 368 Q CB 0.525 28.606 28.738 -1.096 0.000 1.266 368 Q HN 0.862 nan 8.270 nan 0.000 0.423 369 H N 2.131 120.951 119.070 -0.416 0.000 3.429 369 H HA 0.173 4.729 4.556 -0.000 0.000 0.230 369 H C -1.450 173.796 175.328 -0.138 0.000 0.948 369 H CA 0.075 56.002 56.048 -0.201 0.000 1.035 369 H CB 0.311 30.026 29.762 -0.079 0.000 1.350 369 H HN 0.538 nan 8.280 nan 0.000 0.600 370 Y N 0.748 120.703 120.300 -0.576 0.000 2.605 370 Y HA 0.640 5.190 4.550 -0.000 0.000 0.343 370 Y C -1.064 174.506 175.900 -0.551 0.000 1.036 370 Y CA -0.887 56.859 58.100 -0.591 0.000 1.065 370 Y CB 2.332 40.474 38.460 -0.531 0.000 1.288 370 Y HN 0.095 nan 8.280 nan 0.000 0.481 371 S N 4.570 119.277 115.700 -1.656 0.000 2.259 371 S HA 0.187 4.657 4.470 -0.000 0.000 0.181 371 S C 0.377 174.364 174.600 -1.021 0.000 1.589 371 S CA -0.673 56.755 58.200 -1.287 0.000 1.234 371 S CB 0.681 62.928 63.200 -1.589 0.000 1.119 371 S HN 0.779 nan 8.310 nan 0.000 0.458 372 M N 2.389 121.681 119.600 -0.514 0.000 2.088 372 M HA -0.054 4.426 4.480 -0.000 0.000 0.256 372 M C 1.734 177.978 176.300 -0.093 0.000 1.071 372 M CA 1.880 57.094 55.300 -0.143 0.000 1.097 372 M CB -0.969 31.590 32.600 -0.067 0.000 1.315 372 M HN 0.764 nan 8.290 nan 0.000 0.406 373 G N -1.217 107.556 108.800 -0.044 0.000 2.716 373 G HA2 0.442 4.402 3.960 -0.000 0.000 0.251 373 G HA3 0.442 4.402 3.960 -0.000 0.000 0.251 373 G C 0.152 175.138 174.900 0.144 0.000 1.224 373 G CA -0.028 45.111 45.100 0.064 0.000 0.891 373 G HN 0.800 nan 8.290 nan 0.000 0.561 374 G N -1.704 107.142 108.800 0.076 0.000 2.359 374 G HA2 0.250 4.210 3.960 -0.000 0.000 0.314 374 G HA3 0.250 4.210 3.960 -0.000 0.000 0.314 374 G C -0.266 174.641 174.900 0.011 0.000 1.364 374 G CA -0.689 44.440 45.100 0.048 0.000 0.978 374 G HN 0.955 nan 8.290 nan 0.000 0.615 375 I N 0.791 121.357 120.570 -0.008 0.000 3.450 375 I HA -0.149 4.021 4.170 -0.000 0.000 0.336 375 I C 1.275 177.396 176.117 0.005 0.000 1.252 375 I CA 0.446 61.739 61.300 -0.012 0.000 1.427 375 I CB -0.047 37.940 38.000 -0.022 0.000 1.367 375 I HN 0.531 nan 8.210 nan 0.000 0.485 376 R N 6.560 127.064 120.500 0.007 0.000 2.347 376 R HA 0.299 4.639 4.340 -0.000 0.000 0.304 376 R C -0.171 176.142 176.300 0.021 0.000 1.072 376 R CA -0.056 56.062 56.100 0.029 0.000 0.980 376 R CB 0.656 30.971 30.300 0.025 0.000 0.986 376 R HN 0.707 nan 8.270 nan 0.000 0.448 377 T N 0.257 114.844 114.554 0.054 0.000 2.901 377 T HA 0.491 4.841 4.350 -0.000 0.000 0.293 377 T C -0.308 174.459 174.700 0.112 0.000 1.084 377 T CA -0.750 61.368 62.100 0.031 0.000 1.008 377 T CB 1.348 70.211 68.868 -0.010 0.000 1.170 377 T HN 0.582 nan 8.240 nan 0.000 0.509 378 D N 0.164 120.615 120.400 0.086 0.000 2.348 378 D HA 0.089 4.729 4.640 -0.000 0.000 0.272 378 D C 1.407 177.911 176.300 0.341 0.000 1.237 378 D CA -0.232 53.879 54.000 0.185 0.000 1.042 378 D CB -0.222 40.673 40.800 0.158 0.000 1.117 378 D HN 0.783 nan 8.370 nan 0.000 0.548 379 Y N -1.264 119.164 120.300 0.212 0.000 2.395 379 Y HA 0.079 4.629 4.550 -0.000 0.000 0.293 379 Y C 1.991 178.223 175.900 0.555 0.000 1.123 379 Y CA 0.882 59.184 58.100 0.338 0.000 1.227 379 Y CB -0.119 38.458 38.460 0.195 0.000 1.012 379 Y HN 0.283 nan 8.280 nan 0.000 0.552 380 R N 0.417 120.732 120.500 -0.309 0.000 2.310 380 R HA 0.412 4.752 4.340 -0.000 0.000 0.202 380 R C 1.445 177.833 176.300 0.147 0.000 0.933 380 R CA 0.750 56.773 56.100 -0.127 0.000 1.054 380 R CB 0.113 30.037 30.300 -0.626 0.000 0.985 380 R HN 0.526 nan 8.270 nan 0.000 0.489 381 G N 0.960 109.748 108.800 -0.020 0.000 2.349 381 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.213 381 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.213 381 G C -0.027 174.578 174.900 -0.492 0.000 1.044 381 G CA 0.067 45.055 45.100 -0.187 0.000 0.633 381 G HN 0.451 nan 8.290 nan 0.000 0.506 382 E N 1.270 120.913 120.200 -0.929 0.000 2.422 382 E HA 0.539 4.889 4.350 -0.000 0.000 0.260 382 E C 0.938 177.274 176.600 -0.441 0.000 1.108 382 E CA 0.385 56.111 56.400 -1.122 0.000 0.943 382 E CB 0.648 29.724 29.700 -1.041 0.000 0.961 382 E HN 0.786 nan 8.360 nan 0.000 0.443 383 A N 3.238 125.870 122.820 -0.313 0.000 3.444 383 A HA 0.296 4.616 4.320 -0.000 0.000 0.189 383 A C 0.708 178.234 177.584 -0.095 0.000 1.542 383 A CA -0.283 51.668 52.037 -0.143 0.000 0.867 383 A CB 0.459 19.401 19.000 -0.096 0.000 1.712 383 A HN 0.718 nan 8.150 nan 0.000 0.556 384 K N -1.230 119.138 120.400 -0.053 0.000 2.365 384 K HA 0.093 4.413 4.320 -0.000 0.000 0.197 384 K C -0.056 176.525 176.600 -0.031 0.000 1.042 384 K CA 0.245 56.513 56.287 -0.033 0.000 0.987 384 K CB -0.056 32.431 32.500 -0.021 0.000 0.779 384 K HN 0.341 nan 8.250 nan 0.000 0.484 385 L N 3.074 124.275 121.223 -0.036 0.000 2.598 385 L HA 0.124 4.464 4.340 -0.000 0.000 0.241 385 L C -0.883 175.990 176.870 0.005 0.000 1.244 385 L CA -0.320 54.507 54.840 -0.021 0.000 1.198 385 L CB -0.396 41.650 42.059 -0.022 0.000 1.448 385 L HN -0.149 nan 8.230 nan 0.000 0.406 386 K N 2.608 123.013 120.400 0.010 0.000 2.427 386 K HA 0.022 4.342 4.320 -0.000 0.000 0.262 386 K C 1.195 177.863 176.600 0.112 0.000 1.094 386 K CA 0.973 57.283 56.287 0.038 0.000 1.184 386 K CB -0.713 31.839 32.500 0.086 0.000 0.796 386 K HN 0.808 nan 8.250 nan 0.000 0.491 387 G N 1.263 110.112 108.800 0.081 0.000 2.316 387 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.203 387 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.203 387 G C -0.457 174.624 174.900 0.302 0.000 0.999 387 G CA -0.180 45.041 45.100 0.202 0.000 0.649 387 G HN 0.475 nan 8.290 nan 0.000 0.489 388 L N 2.393 123.731 121.223 0.192 0.000 2.262 388 L HA 0.847 5.187 4.340 -0.000 0.000 0.288 388 L C -0.411 176.535 176.870 0.127 0.000 1.035 388 L CA -1.134 53.818 54.840 0.186 0.000 0.820 388 L CB 0.086 42.190 42.059 0.074 0.000 1.204 388 L HN 0.006 nan 8.230 nan 0.000 0.424 389 F N 2.544 122.407 119.950 -0.144 0.000 2.410 389 F HA 0.780 5.307 4.527 -0.000 0.000 0.324 389 F C 0.796 176.444 175.800 -0.253 0.000 1.093 389 F CA -0.632 57.231 58.000 -0.228 0.000 1.028 389 F CB 1.711 40.483 39.000 -0.381 0.000 1.309 389 F HN 0.480 nan 8.300 nan 0.000 0.499 390 S N -0.655 114.994 115.700 -0.084 0.000 2.565 390 S HA 0.868 5.338 4.470 -0.000 0.000 0.269 390 S C -1.787 172.690 174.600 -0.205 0.000 1.153 390 S CA -0.213 57.906 58.200 -0.134 0.000 0.835 390 S CB 1.527 64.671 63.200 -0.092 0.000 1.122 390 S HN 1.079 nan 8.310 nan 0.000 0.462 391 A N 0.934 123.642 122.820 -0.186 0.000 2.590 391 A HA 0.815 5.135 4.320 -0.000 0.000 0.296 391 A C 0.002 177.516 177.584 -0.118 0.000 1.050 391 A CA 0.152 52.053 52.037 -0.226 0.000 0.697 391 A CB 0.494 19.308 19.000 -0.310 0.000 1.277 391 A HN 2.434 nan 8.150 nan 0.000 0.411 392 G N 0.340 109.103 108.800 -0.062 0.000 2.699 392 G HA2 0.185 4.145 3.960 -0.000 0.000 0.686 392 G HA3 0.185 4.145 3.960 -0.000 0.000 0.686 392 G C 0.482 175.402 174.900 0.034 0.000 1.301 392 G CA 0.773 45.875 45.100 0.003 0.000 0.816 392 G HN 1.893 nan 8.290 nan 0.000 0.595 393 E N 0.144 120.379 120.200 0.059 0.000 2.312 393 E HA -0.301 4.049 4.350 -0.000 0.000 0.209 393 E C 2.665 179.193 176.600 -0.120 0.000 1.047 393 E CA 2.666 59.037 56.400 -0.048 0.000 0.840 393 E CB -0.321 29.302 29.700 -0.128 0.000 0.738 393 E HN 1.465 nan 8.360 nan 0.000 0.478 394 A N 0.828 123.613 122.820 -0.058 0.000 1.903 394 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 394 A C 1.473 179.054 177.584 -0.005 0.000 1.191 394 A CA 1.955 53.971 52.037 -0.035 0.000 0.638 394 A CB -0.621 18.357 19.000 -0.037 0.000 0.823 394 A HN 0.477 nan 8.150 nan 0.000 0.451 395 A N -2.708 120.114 122.820 0.003 0.000 2.468 395 A HA 0.523 4.843 4.320 -0.000 0.000 0.277 395 A C 0.029 177.661 177.584 0.080 0.000 1.203 395 A CA 0.240 52.293 52.037 0.027 0.000 0.932 395 A CB 0.557 19.558 19.000 0.001 0.000 1.438 395 A HN 0.896 nan 8.150 nan 0.000 0.468 396 C N -0.376 118.983 119.300 0.098 0.000 3.075 396 C HA 0.380 4.840 4.460 -0.000 0.000 0.262 396 C C 0.632 175.751 174.990 0.216 0.000 1.371 396 C CA -0.874 58.230 59.018 0.142 0.000 1.594 396 C CB -1.880 25.908 27.740 0.081 0.000 1.849 396 C HN 0.826 nan 8.230 nan 0.000 0.475 397 W N 2.480 123.799 121.300 0.032 0.000 2.425 397 W HA 0.114 4.774 4.660 -0.000 0.000 0.277 397 W C 0.809 177.350 176.519 0.036 0.000 1.231 397 W CA 1.572 58.933 57.345 0.026 0.000 1.248 397 W CB -0.450 29.016 29.460 0.009 0.000 1.117 397 W HN 0.733 nan 8.180 nan 0.000 0.568 398 D N -0.328 120.195 120.400 0.205 0.000 3.508 398 D HA -0.258 4.382 4.640 -0.000 0.000 0.232 398 D C 0.555 176.779 176.300 -0.128 0.000 1.131 398 D CA 1.356 55.391 54.000 0.058 0.000 1.040 398 D CB -1.043 39.798 40.800 0.069 0.000 0.879 398 D HN 0.434 nan 8.370 nan 0.000 0.407 399 M N -0.803 118.636 119.600 -0.268 0.000 2.496 399 M HA 0.309 4.788 4.480 -0.000 0.000 0.330 399 M C 0.341 176.350 176.300 -0.484 0.000 1.133 399 M CA -0.211 54.825 55.300 -0.440 0.000 0.964 399 M CB 0.780 32.977 32.600 -0.673 0.000 1.401 399 M HN 0.127 nan 8.290 nan 0.000 0.520 400 H N 0.816 119.847 119.070 -0.064 0.000 2.501 400 H HA 0.467 5.023 4.556 -0.000 0.000 0.281 400 H C 1.474 176.798 175.328 -0.008 0.000 0.988 400 H CA 1.131 57.155 56.048 -0.040 0.000 1.232 400 H CB 0.404 30.166 29.762 -0.001 0.000 1.455 400 H HN 0.514 nan 8.280 nan 0.000 0.501 401 G N 1.255 110.130 108.800 0.124 0.000 2.527 401 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.268 401 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.268 401 G C -0.007 174.935 174.900 0.071 0.000 1.175 401 G CA 0.370 45.562 45.100 0.154 0.000 0.962 401 G HN 0.281 nan 8.290 nan 0.000 0.560 402 F N 2.796 122.811 119.950 0.107 0.000 2.668 402 F HA 0.471 4.998 4.527 -0.000 0.000 0.297 402 F C 1.100 176.965 175.800 0.108 0.000 1.124 402 F CA 0.381 58.451 58.000 0.116 0.000 1.353 402 F CB 0.208 39.285 39.000 0.129 0.000 0.992 402 F HN 0.437 nan 8.300 nan 0.000 0.524 403 N N 0.554 119.370 118.700 0.194 0.000 3.507 403 N HA 0.036 4.776 4.740 -0.000 0.000 0.212 403 N C -0.676 174.902 175.510 0.112 0.000 1.340 403 N CA -0.510 52.628 53.050 0.146 0.000 0.844 403 N CB 0.855 39.435 38.487 0.156 0.000 1.647 403 N HN 0.108 nan 8.380 nan 0.000 0.694 404 R N 3.024 123.560 120.500 0.061 0.000 2.694 404 R HA 0.251 4.591 4.340 -0.000 0.000 0.268 404 R C -0.944 175.380 176.300 0.041 0.000 1.061 404 R CA 0.021 56.151 56.100 0.049 0.000 1.133 404 R CB 0.731 30.782 30.300 -0.416 0.000 1.020 404 R HN 0.430 nan 8.270 nan 0.000 0.475 405 L N 3.622 124.897 121.223 0.086 0.000 2.272 405 L HA 0.373 4.713 4.340 -0.000 0.000 0.289 405 L C 0.192 177.138 176.870 0.127 0.000 1.032 405 L CA -0.286 54.613 54.840 0.098 0.000 0.810 405 L CB 1.273 43.408 42.059 0.127 0.000 1.205 405 L HN 0.951 nan 8.230 nan 0.000 0.422 406 G N 3.210 112.107 108.800 0.162 0.000 2.268 406 G HA2 0.224 4.184 3.960 -0.000 0.000 0.257 406 G HA3 0.224 4.184 3.960 -0.000 0.000 0.257 406 G C 0.968 176.096 174.900 0.380 0.000 0.827 406 G CA 0.554 45.868 45.100 0.357 0.000 0.960 406 G HN 1.460 nan 8.290 nan 0.000 0.353 407 G N 1.651 110.576 108.800 0.208 0.000 2.141 407 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.242 407 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.242 407 G C 0.863 175.806 174.900 0.072 0.000 0.982 407 G CA 0.667 45.764 45.100 -0.005 0.000 0.662 407 G HN 0.793 nan 8.290 nan 0.000 0.527 408 N N -0.650 118.103 118.700 0.088 0.000 2.439 408 N HA 0.071 4.811 4.740 -0.000 0.000 0.176 408 N C 2.292 177.810 175.510 0.013 0.000 1.029 408 N CA 0.653 53.762 53.050 0.098 0.000 0.886 408 N CB 0.058 38.609 38.487 0.106 0.000 1.057 408 N HN 0.253 nan 8.380 nan 0.000 0.437 409 S N 0.770 116.432 115.700 -0.062 0.000 2.370 409 S HA -0.111 4.359 4.470 -0.000 0.000 0.226 409 S C 1.636 176.245 174.600 0.015 0.000 1.033 409 S CA 1.273 59.419 58.200 -0.090 0.000 1.011 409 S CB -0.144 62.875 63.200 -0.301 0.000 0.852 409 S HN 0.295 nan 8.310 nan 0.000 0.457 410 V N -0.153 119.778 119.914 0.028 0.000 3.337 410 V HA 0.473 4.593 4.120 -0.000 0.000 0.343 410 V C 1.062 177.216 176.094 0.100 0.000 1.302 410 V CA 0.810 63.146 62.300 0.061 0.000 1.268 410 V CB 0.024 31.880 31.823 0.055 0.000 1.185 410 V HN 0.379 nan 8.190 nan 0.000 0.447 411 S N -0.188 115.576 115.700 0.107 0.000 2.670 411 S HA 0.084 4.554 4.470 -0.000 0.000 0.241 411 S C 1.694 176.387 174.600 0.155 0.000 1.077 411 S CA 0.664 58.978 58.200 0.190 0.000 0.899 411 S CB 0.175 63.566 63.200 0.318 0.000 0.835 411 S HN 0.742 nan 8.310 nan 0.000 0.481 412 E N 1.148 121.352 120.200 0.007 0.000 2.107 412 E HA -0.010 4.340 4.350 -0.000 0.000 0.191 412 E C 1.946 178.575 176.600 0.047 0.000 0.982 412 E CA 0.985 57.366 56.400 -0.033 0.000 0.809 412 E CB -0.285 29.402 29.700 -0.021 0.000 0.756 412 E HN 0.543 nan 8.360 nan 0.000 0.459 413 A N 0.783 123.633 122.820 0.050 0.000 1.841 413 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 413 A C 2.413 180.008 177.584 0.019 0.000 1.199 413 A CA 1.940 53.995 52.037 0.031 0.000 0.621 413 A CB -0.925 18.103 19.000 0.046 0.000 0.835 413 A HN 0.220 nan 8.150 nan 0.000 0.445 414 V N -0.529 119.416 119.914 0.052 0.000 2.358 414 V HA -0.194 3.926 4.120 -0.000 0.000 0.246 414 V C 2.544 178.635 176.094 -0.004 0.000 1.047 414 V CA 1.703 64.028 62.300 0.042 0.000 1.035 414 V CB -0.963 30.904 31.823 0.073 0.000 0.658 414 V HN 0.353 nan 8.190 nan 0.000 0.452 415 V N 0.689 120.628 119.914 0.043 0.000 2.214 415 V HA -0.335 3.785 4.120 -0.000 0.000 0.247 415 V C 2.823 178.894 176.094 -0.039 0.000 1.051 415 V CA 2.459 64.783 62.300 0.040 0.000 1.003 415 V CB -1.398 30.594 31.823 0.281 0.000 0.635 415 V HN 0.551 nan 8.190 nan 0.000 0.447 416 A N 0.380 123.175 122.820 -0.042 0.000 1.971 416 A HA -0.238 4.082 4.320 -0.000 0.000 0.222 416 A C 2.362 179.756 177.584 -0.318 0.000 1.182 416 A CA 2.405 54.211 52.037 -0.384 0.000 0.649 416 A CB -1.392 17.285 19.000 -0.538 0.000 0.818 416 A HN 0.651 nan 8.150 nan 0.000 0.458 417 G N -1.028 107.666 108.800 -0.176 0.000 2.422 417 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.218 417 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.218 417 G C 1.611 176.452 174.900 -0.098 0.000 1.146 417 G CA 1.161 46.188 45.100 -0.121 0.000 0.769 417 G HN 0.529 nan 8.290 nan 0.000 0.547 418 M N -0.458 119.055 119.600 -0.145 0.000 2.123 418 M HA 0.106 4.586 4.480 -0.000 0.000 0.263 418 M C 2.362 178.573 176.300 -0.149 0.000 1.069 418 M CA 0.876 56.055 55.300 -0.202 0.000 1.133 418 M CB -0.311 31.950 32.600 -0.565 0.000 1.356 418 M HN 0.138 nan 8.290 nan 0.000 0.415 419 I N 0.016 120.447 120.570 -0.232 0.000 2.087 419 I HA -0.182 3.988 4.170 -0.000 0.000 0.231 419 I C 2.294 178.237 176.117 -0.290 0.000 1.058 419 I CA 1.215 62.385 61.300 -0.216 0.000 1.328 419 I CB -0.739 37.190 38.000 -0.117 0.000 1.079 419 I HN -0.041 nan 8.210 nan 0.000 0.397 420 V N 1.298 121.037 119.914 -0.291 0.000 2.764 420 V HA -0.273 3.847 4.120 -0.000 0.000 0.261 420 V C 2.326 178.412 176.094 -0.014 0.000 1.108 420 V CA 1.882 64.086 62.300 -0.160 0.000 1.129 420 V CB -1.858 29.786 31.823 -0.299 0.000 0.701 420 V HN 0.655 nan 8.190 nan 0.000 0.495 421 G N -0.576 108.203 108.800 -0.036 0.000 2.404 421 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.214 421 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.214 421 G C 1.431 176.403 174.900 0.120 0.000 1.189 421 G CA 0.338 45.480 45.100 0.070 0.000 0.789 421 G HN 0.456 nan 8.290 nan 0.000 0.533 422 E N 0.393 120.642 120.200 0.082 0.000 2.118 422 E HA -0.109 4.241 4.350 -0.000 0.000 0.195 422 E C 2.049 178.783 176.600 0.224 0.000 0.992 422 E CA 0.839 57.302 56.400 0.106 0.000 0.804 422 E CB -0.398 29.339 29.700 0.061 0.000 0.741 422 E HN 0.753 nan 8.360 nan 0.000 0.458 423 Y N -1.454 118.937 120.300 0.152 0.000 2.516 423 Y HA -0.104 4.446 4.550 -0.000 0.000 0.291 423 Y C 2.033 178.050 175.900 0.195 0.000 1.131 423 Y CA -0.250 57.969 58.100 0.198 0.000 1.281 423 Y CB 0.071 38.672 38.460 0.235 0.000 1.013 423 Y HN -0.005 nan 8.280 nan 0.000 0.554 424 F N 0.380 120.312 119.950 -0.030 0.000 2.262 424 F HA 0.077 4.604 4.527 -0.000 0.000 0.292 424 F C 2.239 177.920 175.800 -0.199 0.000 1.081 424 F CA 0.647 58.370 58.000 -0.462 0.000 1.355 424 F CB -0.605 38.121 39.000 -0.456 0.000 1.069 424 F HN -0.091 nan 8.300 nan 0.000 0.506 425 A N 0.066 122.849 122.820 -0.062 0.000 1.877 425 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 425 A C 2.255 179.785 177.584 -0.090 0.000 1.186 425 A CA 1.787 53.747 52.037 -0.127 0.000 0.620 425 A CB -0.980 18.009 19.000 -0.018 0.000 0.822 425 A HN 0.468 nan 8.150 nan 0.000 0.443 426 E N -1.264 118.953 120.200 0.029 0.000 2.033 426 E HA -0.304 4.046 4.350 -0.000 0.000 0.199 426 E C 1.942 178.561 176.600 0.032 0.000 1.011 426 E CA 1.773 58.209 56.400 0.060 0.000 0.815 426 E CB -0.290 29.503 29.700 0.155 0.000 0.755 426 E HN 0.853 nan 8.360 nan 0.000 0.451 427 H N -0.077 118.973 119.070 -0.035 0.000 2.265 427 H HA -0.162 4.394 4.556 -0.000 0.000 0.295 427 H C 2.211 177.464 175.328 -0.124 0.000 1.084 427 H CA 2.473 58.504 56.048 -0.028 0.000 1.261 427 H CB -0.531 29.247 29.762 0.026 0.000 1.360 427 H HN 0.203 nan 8.280 nan 0.000 0.487 428 C N 0.669 119.777 119.300 -0.321 0.000 2.413 428 C HA -0.039 4.421 4.460 -0.000 0.000 0.277 428 C C 3.105 177.938 174.990 -0.261 0.000 1.265 428 C CA 1.044 59.835 59.018 -0.379 0.000 1.752 428 C CB -1.443 26.006 27.740 -0.485 0.000 1.998 428 C HN 0.794 nan 8.230 nan 0.000 0.489 429 A N 0.511 123.216 122.820 -0.192 0.000 2.066 429 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 429 A C 1.878 179.399 177.584 -0.105 0.000 1.157 429 A CA 1.495 53.459 52.037 -0.122 0.000 0.670 429 A CB -0.264 18.687 19.000 -0.082 0.000 0.804 429 A HN 0.689 nan 8.150 nan 0.000 0.453 430 N N -1.102 117.522 118.700 -0.126 0.000 2.622 430 N HA 0.017 4.757 4.740 -0.000 0.000 0.213 430 N C 0.694 176.125 175.510 -0.131 0.000 1.037 430 N CA 0.769 53.761 53.050 -0.097 0.000 0.999 430 N CB -1.033 37.424 38.487 -0.051 0.000 1.342 430 N HN 0.217 nan 8.380 nan 0.000 0.465 431 T N 3.178 117.602 114.554 -0.218 0.000 2.867 431 T HA -0.090 4.260 4.350 -0.000 0.000 0.290 431 T C -0.350 174.251 174.700 -0.166 0.000 1.025 431 T CA 0.473 62.440 62.100 -0.222 0.000 1.146 431 T CB 0.072 68.641 68.868 -0.497 0.000 1.024 431 T HN 0.005 nan 8.240 nan 0.000 0.519 432 Q N 3.370 123.115 119.800 -0.093 0.000 2.312 432 Q HA 0.562 4.902 4.340 -0.000 0.000 0.263 432 Q C -0.569 175.384 176.000 -0.078 0.000 0.995 432 Q CA -0.599 55.156 55.803 -0.080 0.000 0.853 432 Q CB 2.124 30.828 28.738 -0.057 0.000 1.300 432 Q HN 0.488 nan 8.270 nan 0.000 0.448 433 V N 1.403 121.248 119.914 -0.115 0.000 2.815 433 V HA 0.257 4.377 4.120 -0.000 0.000 0.314 433 V C -0.222 175.734 176.094 -0.231 0.000 1.064 433 V CA -0.704 61.478 62.300 -0.196 0.000 0.952 433 V CB 2.174 33.809 31.823 -0.314 0.000 1.020 433 V HN 0.692 nan 8.190 nan 0.000 0.439 434 D N 3.786 124.026 120.400 -0.266 0.000 2.518 434 D HA 0.281 4.921 4.640 -0.000 0.000 0.230 434 D C -0.421 175.732 176.300 -0.245 0.000 1.138 434 D CA -0.229 53.668 54.000 -0.171 0.000 0.964 434 D CB 0.561 41.339 40.800 -0.036 0.000 1.011 434 D HN 0.354 nan 8.370 nan 0.000 0.517 435 L N 2.827 123.894 121.223 -0.260 0.000 2.433 435 L HA 0.150 4.490 4.340 -0.000 0.000 0.275 435 L C 0.870 177.719 176.870 -0.035 0.000 1.128 435 L CA 0.325 55.056 54.840 -0.183 0.000 0.875 435 L CB 0.584 42.554 42.059 -0.149 0.000 1.171 435 L HN 0.095 nan 8.230 nan 0.000 0.463 436 E N 1.115 121.350 120.200 0.059 0.000 2.158 436 E HA 0.125 4.475 4.350 -0.000 0.000 0.271 436 E C 0.805 177.447 176.600 0.068 0.000 0.911 436 E CA -0.193 56.247 56.400 0.067 0.000 0.767 436 E CB 1.695 31.457 29.700 0.104 0.000 1.120 436 E HN 0.704 nan 8.360 nan 0.000 0.405 437 T N 0.746 115.325 114.554 0.041 0.000 2.759 437 T HA -0.256 4.094 4.350 -0.000 0.000 0.269 437 T C 1.722 176.455 174.700 0.055 0.000 1.042 437 T CA 1.237 63.360 62.100 0.038 0.000 1.140 437 T CB 0.029 68.909 68.868 0.020 0.000 0.864 437 T HN 0.358 nan 8.240 nan 0.000 0.455 438 K N 0.699 121.134 120.400 0.059 0.000 2.097 438 K HA -0.082 4.238 4.320 -0.000 0.000 0.205 438 K C 2.404 179.061 176.600 0.095 0.000 1.050 438 K CA 1.566 57.892 56.287 0.064 0.000 0.938 438 K CB -0.448 32.086 32.500 0.057 0.000 0.718 438 K HN 0.335 nan 8.250 nan 0.000 0.442 439 T N 1.692 116.319 114.554 0.122 0.000 2.732 439 T HA -0.051 4.299 4.350 -0.000 0.000 0.261 439 T C 1.627 176.453 174.700 0.210 0.000 1.040 439 T CA 0.897 63.107 62.100 0.182 0.000 1.145 439 T CB -0.067 68.911 68.868 0.183 0.000 0.866 439 T HN 0.076 nan 8.240 nan 0.000 0.427 440 L N 1.273 122.579 121.223 0.138 0.000 1.978 440 L HA -0.179 4.161 4.340 -0.000 0.000 0.218 440 L C 2.545 179.497 176.870 0.137 0.000 1.075 440 L CA 2.111 57.018 54.840 0.112 0.000 0.767 440 L CB -1.246 40.856 42.059 0.071 0.000 0.890 440 L HN 0.446 nan 8.230 nan 0.000 0.434 441 E N -0.259 120.002 120.200 0.102 0.000 2.070 441 E HA -0.295 4.055 4.350 -0.000 0.000 0.197 441 E C 2.189 178.845 176.600 0.093 0.000 1.004 441 E CA 1.643 58.092 56.400 0.081 0.000 0.805 441 E CB -0.093 29.639 29.700 0.054 0.000 0.744 441 E HN 0.338 nan 8.360 nan 0.000 0.451 442 K N 0.112 120.576 120.400 0.107 0.000 2.034 442 K HA -0.219 4.101 4.320 -0.000 0.000 0.214 442 K C 1.916 178.529 176.600 0.023 0.000 1.051 442 K CA 1.700 58.020 56.287 0.055 0.000 0.931 442 K CB -0.199 32.334 32.500 0.054 0.000 0.715 442 K HN 0.008 nan 8.250 nan 0.000 0.446 443 F N 0.233 120.168 119.950 -0.025 0.000 2.113 443 F HA -0.194 4.333 4.527 -0.000 0.000 0.297 443 F C 2.258 178.049 175.800 -0.015 0.000 1.103 443 F CA 1.081 59.058 58.000 -0.037 0.000 1.248 443 F CB -0.536 38.431 39.000 -0.054 0.000 0.999 443 F HN -0.148 nan 8.300 nan 0.000 0.475 444 V N 0.183 120.210 119.914 0.188 0.000 2.237 444 V HA -0.300 3.820 4.120 -0.000 0.000 0.245 444 V C 2.154 178.284 176.094 0.061 0.000 1.046 444 V CA 1.989 64.353 62.300 0.108 0.000 1.007 444 V CB -0.743 31.131 31.823 0.084 0.000 0.638 444 V HN 0.251 nan 8.190 nan 0.000 0.445 445 K N 0.495 120.924 120.400 0.047 0.000 2.281 445 K HA -0.100 4.220 4.320 -0.000 0.000 0.203 445 K C 2.101 178.708 176.600 0.013 0.000 1.046 445 K CA 1.322 57.624 56.287 0.025 0.000 0.938 445 K CB -0.507 32.005 32.500 0.020 0.000 0.737 445 K HN 0.579 nan 8.250 nan 0.000 0.458 446 G N 0.517 109.316 108.800 -0.002 0.000 2.430 446 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.216 446 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.216 446 G C 1.448 176.348 174.900 0.001 0.000 1.146 446 G CA 0.085 45.163 45.100 -0.037 0.000 0.793 446 G HN 0.096 nan 8.290 nan 0.000 0.537 447 Q N 0.474 120.294 119.800 0.033 0.000 2.137 447 Q HA 0.030 4.370 4.340 -0.000 0.000 0.198 447 Q C 2.435 178.477 176.000 0.070 0.000 0.960 447 Q CA 0.702 56.552 55.803 0.078 0.000 0.847 447 Q CB -0.148 28.630 28.738 0.066 0.000 0.915 447 Q HN 0.614 nan 8.270 nan 0.000 0.448 448 E N 0.651 120.873 120.200 0.038 0.000 2.058 448 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 448 E C 1.906 178.525 176.600 0.032 0.000 0.997 448 E CA 1.074 57.486 56.400 0.020 0.000 0.801 448 E CB -0.080 29.631 29.700 0.018 0.000 0.746 448 E HN 0.290 nan 8.360 nan 0.000 0.450 449 A N 1.323 124.171 122.820 0.046 0.000 1.883 449 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 449 A C 2.100 179.748 177.584 0.107 0.000 1.186 449 A CA 1.585 53.654 52.037 0.053 0.000 0.624 449 A CB -0.890 18.131 19.000 0.035 0.000 0.822 449 A HN 0.381 nan 8.150 nan 0.000 0.444 450 Y N 0.316 120.592 120.300 -0.039 0.000 2.114 450 Y HA -0.263 4.287 4.550 -0.000 0.000 0.282 450 Y C 2.338 178.220 175.900 -0.029 0.000 1.165 450 Y CA 1.940 60.017 58.100 -0.039 0.000 1.148 450 Y CB -0.573 37.852 38.460 -0.059 0.000 0.972 450 Y HN 0.247 nan 8.280 nan 0.000 0.504 451 M N 0.233 119.780 119.600 -0.089 0.000 2.080 451 M HA -0.245 4.235 4.480 -0.000 0.000 0.260 451 M C 2.237 178.492 176.300 -0.075 0.000 1.068 451 M CA 1.734 56.924 55.300 -0.183 0.000 1.109 451 M CB -1.149 31.372 32.600 -0.131 0.000 1.342 451 M HN 0.229 nan 8.290 nan 0.000 0.405 452 K N -0.067 120.324 120.400 -0.015 0.000 2.009 452 K HA -0.132 4.188 4.320 -0.000 0.000 0.210 452 K C 2.149 178.757 176.600 0.013 0.000 1.049 452 K CA 1.923 58.212 56.287 0.003 0.000 0.929 452 K CB 0.001 32.510 32.500 0.015 0.000 0.714 452 K HN 0.191 nan 8.250 nan 0.000 0.440 453 S N 1.431 117.156 115.700 0.042 0.000 2.372 453 S HA -0.195 4.275 4.470 -0.000 0.000 0.227 453 S C 1.882 176.504 174.600 0.035 0.000 1.044 453 S CA 1.466 59.698 58.200 0.054 0.000 1.050 453 S CB -0.374 62.891 63.200 0.108 0.000 0.901 453 S HN 0.240 nan 8.310 nan 0.000 0.447 454 L N 0.917 122.149 121.223 0.016 0.000 2.042 454 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 454 L C 2.311 179.168 176.870 -0.022 0.000 1.076 454 L CA 0.969 55.799 54.840 -0.018 0.000 0.749 454 L CB -0.735 41.267 42.059 -0.096 0.000 0.893 454 L HN 0.232 nan 8.230 nan 0.000 0.432 455 V N -0.414 119.488 119.914 -0.022 0.000 2.379 455 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 455 V C 2.003 178.092 176.094 -0.009 0.000 1.044 455 V CA 1.582 63.871 62.300 -0.017 0.000 1.036 455 V CB -0.496 31.320 31.823 -0.012 0.000 0.664 455 V HN 0.468 nan 8.190 nan 0.000 0.453 456 E N 0.449 120.648 120.200 -0.001 0.000 2.502 456 E HA 0.046 4.396 4.350 -0.000 0.000 0.194 456 E C 1.080 177.681 176.600 0.002 0.000 1.062 456 E CA 0.101 56.502 56.400 0.002 0.000 0.867 456 E CB 0.094 29.798 29.700 0.007 0.000 0.888 456 E HN 0.441 nan 8.360 nan 0.000 0.510 457 S N 0.990 116.691 115.700 0.001 0.000 2.558 457 S HA -0.065 4.405 4.470 -0.000 0.000 0.291 457 S C 0.773 175.371 174.600 -0.004 0.000 1.306 457 S CA 0.333 58.534 58.200 0.001 0.000 1.056 457 S CB 0.537 63.736 63.200 -0.001 0.000 0.836 457 S HN 0.156 nan 8.310 nan 0.000 0.504 458 K N 2.803 123.201 120.400 -0.003 0.000 2.438 458 K HA 0.215 4.535 4.320 -0.000 0.000 0.206 458 K C 1.147 177.743 176.600 -0.006 0.000 1.081 458 K CA 0.079 56.364 56.287 -0.005 0.000 1.053 458 K CB 0.367 32.865 32.500 -0.002 0.000 0.908 458 K HN 0.674 nan 8.250 nan 0.000 0.556 459 G N 1.530 110.325 108.800 -0.007 0.000 2.750 459 G HA2 0.014 3.974 3.960 -0.000 0.000 0.250 459 G HA3 0.014 3.974 3.960 -0.000 0.000 0.250 459 G C 0.353 175.246 174.900 -0.012 0.000 1.230 459 G CA 0.157 45.251 45.100 -0.009 0.000 0.883 459 G HN 0.208 nan 8.290 nan 0.000 0.573 460 T N -2.011 112.537 114.554 -0.011 0.000 3.584 460 T HA 0.374 4.724 4.350 -0.000 0.000 0.259 460 T C -0.344 174.350 174.700 -0.011 0.000 1.009 460 T CA -0.550 61.544 62.100 -0.010 0.000 1.103 460 T CB 0.500 69.365 68.868 -0.005 0.000 1.099 460 T HN 0.361 nan 8.240 nan 0.000 0.539 461 E N 1.549 121.738 120.200 -0.018 0.000 2.191 461 E HA 0.307 4.657 4.350 -0.000 0.000 0.278 461 E C -1.058 175.522 176.600 -0.034 0.000 0.972 461 E CA -0.540 55.849 56.400 -0.018 0.000 0.804 461 E CB 1.971 31.660 29.700 -0.017 0.000 1.110 461 E HN 0.371 nan 8.360 nan 0.000 0.394 462 D N 2.307 122.695 120.400 -0.019 0.000 2.365 462 D HA 0.005 4.645 4.640 -0.000 0.000 0.237 462 D C 0.986 177.251 176.300 -0.058 0.000 1.190 462 D CA -0.122 53.861 54.000 -0.028 0.000 0.867 462 D CB 0.961 41.784 40.800 0.039 0.000 1.050 462 D HN 0.164 nan 8.370 nan 0.000 0.491 463 V N 5.099 124.906 119.914 -0.177 0.000 2.546 463 V HA -0.220 3.900 4.120 -0.000 0.000 0.254 463 V C 1.511 177.522 176.094 -0.138 0.000 1.076 463 V CA 1.761 63.936 62.300 -0.208 0.000 1.087 463 V CB -0.648 30.964 31.823 -0.352 0.000 0.674 463 V HN 0.670 nan 8.190 nan 0.000 0.470 464 F N -0.153 119.788 119.950 -0.016 0.000 2.502 464 F HA -0.010 4.517 4.527 -0.000 0.000 0.298 464 F C 2.337 178.133 175.800 -0.006 0.000 1.111 464 F CA 1.026 59.017 58.000 -0.015 0.000 1.445 464 F CB 0.019 39.010 39.000 -0.016 0.000 1.081 464 F HN 0.161 nan 8.300 nan 0.000 0.558 465 K N 0.101 120.595 120.400 0.156 0.000 2.242 465 K HA 0.082 4.401 4.320 -0.000 0.000 0.200 465 K C 1.814 178.454 176.600 0.066 0.000 1.050 465 K CA 0.702 57.047 56.287 0.097 0.000 0.981 465 K CB 0.143 32.685 32.500 0.070 0.000 0.795 465 K HN 0.265 nan 8.250 nan 0.000 0.477 466 I N 1.625 122.224 120.570 0.049 0.000 2.286 466 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 466 I C 2.450 178.592 176.117 0.042 0.000 1.104 466 I CA 1.021 62.343 61.300 0.036 0.000 1.397 466 I CB -0.171 37.840 38.000 0.020 0.000 1.072 466 I HN 0.075 nan 8.210 nan 0.000 0.417 467 K N 1.903 122.334 120.400 0.053 0.000 1.991 467 K HA -0.212 4.108 4.320 -0.000 0.000 0.212 467 K C 1.619 178.255 176.600 0.061 0.000 1.049 467 K CA 2.230 58.553 56.287 0.060 0.000 0.932 467 K CB -0.535 32.025 32.500 0.101 0.000 0.717 467 K HN 0.291 nan 8.250 nan 0.000 0.441 468 N N -0.494 118.254 118.700 0.080 0.000 2.289 468 N HA -0.169 4.571 4.740 -0.000 0.000 0.184 468 N C 1.818 177.356 175.510 0.045 0.000 1.016 468 N CA 0.745 53.831 53.050 0.061 0.000 0.872 468 N CB -0.091 38.434 38.487 0.064 0.000 0.973 468 N HN 0.127 nan 8.380 nan 0.000 0.433 469 R N 1.662 122.188 120.500 0.043 0.000 2.090 469 R HA 0.044 4.384 4.340 -0.000 0.000 0.228 469 R C 2.068 178.381 176.300 0.022 0.000 1.110 469 R CA 0.986 57.106 56.100 0.033 0.000 0.973 469 R CB -0.477 29.843 30.300 0.033 0.000 0.869 469 R HN 0.249 nan 8.270 nan 0.000 0.440 470 M N 0.626 120.237 119.600 0.019 0.000 2.086 470 M HA -0.198 4.282 4.480 -0.000 0.000 0.261 470 M C 1.272 177.558 176.300 -0.024 0.000 1.067 470 M CA 1.993 57.292 55.300 -0.001 0.000 1.116 470 M CB -0.134 32.465 32.600 -0.001 0.000 1.348 470 M HN 0.054 nan 8.290 nan 0.000 0.407 471 K N -0.137 120.259 120.400 -0.007 0.000 2.280 471 K HA -0.138 4.182 4.320 -0.000 0.000 0.202 471 K C 1.434 178.037 176.600 0.005 0.000 1.047 471 K CA 1.330 57.612 56.287 -0.008 0.000 0.942 471 K CB -0.376 32.142 32.500 0.028 0.000 0.739 471 K HN 0.536 nan 8.250 nan 0.000 0.457 472 D N 0.909 121.318 120.400 0.016 0.000 2.120 472 D HA -0.078 4.562 4.640 -0.000 0.000 0.202 472 D C 2.137 178.450 176.300 0.022 0.000 0.972 472 D CA 0.996 55.016 54.000 0.033 0.000 0.837 472 D CB 0.118 40.940 40.800 0.037 0.000 0.989 472 D HN -0.056 nan 8.370 nan 0.000 0.469 473 V N 1.950 121.865 119.914 0.002 0.000 2.252 473 V HA -0.295 3.825 4.120 -0.000 0.000 0.249 473 V C 2.622 178.701 176.094 -0.025 0.000 1.056 473 V CA 1.356 63.654 62.300 -0.003 0.000 1.022 473 V CB -0.507 31.310 31.823 -0.010 0.000 0.641 473 V HN 0.202 nan 8.190 nan 0.000 0.445 474 M N 0.043 119.578 119.600 -0.110 0.000 2.084 474 M HA -0.213 4.267 4.480 -0.000 0.000 0.259 474 M C 2.232 178.450 176.300 -0.136 0.000 1.072 474 M CA 1.962 57.099 55.300 -0.272 0.000 1.107 474 M CB -1.611 30.608 32.600 -0.634 0.000 1.299 474 M HN 0.469 nan 8.290 nan 0.000 0.413 475 D N 0.124 120.514 120.400 -0.017 0.000 2.311 475 D HA -0.183 4.457 4.640 -0.000 0.000 0.212 475 D C 1.244 177.665 176.300 0.202 0.000 0.972 475 D CA 0.971 55.112 54.000 0.236 0.000 0.887 475 D CB 0.181 41.114 40.800 0.222 0.000 0.915 475 D HN 0.382 nan 8.370 nan 0.000 0.497 476 D N -0.345 120.132 120.400 0.130 0.000 2.255 476 D HA -0.034 4.606 4.640 -0.000 0.000 0.224 476 D C 1.734 178.127 176.300 0.156 0.000 0.997 476 D CA 0.338 54.416 54.000 0.131 0.000 0.906 476 D CB 0.032 40.890 40.800 0.097 0.000 1.047 476 D HN 0.213 nan 8.370 nan 0.000 0.458 477 N N 0.641 119.427 118.700 0.143 0.000 2.333 477 N HA -0.053 4.687 4.740 -0.000 0.000 0.178 477 N C 1.375 176.992 175.510 0.177 0.000 1.018 477 N CA 0.447 53.608 53.050 0.184 0.000 0.882 477 N CB 0.540 39.120 38.487 0.155 0.000 0.984 477 N HN 0.023 nan 8.380 nan 0.000 0.434 478 V N 1.125 121.140 119.914 0.168 0.000 3.252 478 V HA 0.246 4.366 4.120 -0.000 0.000 0.350 478 V C 1.460 177.761 176.094 0.345 0.000 1.329 478 V CA -0.391 62.045 62.300 0.227 0.000 1.258 478 V CB -0.266 31.669 31.823 0.186 0.000 1.208 478 V HN 0.098 nan 8.190 nan 0.000 0.462 479 G N 0.387 109.332 108.800 0.241 0.000 2.447 479 G HA2 0.184 4.144 3.960 -0.000 0.000 0.269 479 G HA3 0.184 4.144 3.960 -0.000 0.000 0.269 479 G C 1.070 175.836 174.900 -0.223 0.000 1.455 479 G CA -0.273 44.916 45.100 0.149 0.000 1.061 479 G HN 0.269 nan 8.290 nan 0.000 0.545 480 I N -1.046 119.190 120.570 -0.556 0.000 2.315 480 I HA 0.005 4.175 4.170 -0.000 0.000 0.248 480 I C 0.428 176.189 176.117 -0.594 0.000 1.117 480 I CA 0.958 61.736 61.300 -0.870 0.000 1.404 480 I CB -0.164 37.279 38.000 -0.928 0.000 1.071 480 I HN 0.028 nan 8.210 nan 0.000 0.419 481 F N 1.887 121.743 119.950 -0.156 0.000 2.361 481 F HA 0.418 4.945 4.527 -0.000 0.000 0.364 481 F C 0.511 176.276 175.800 -0.058 0.000 1.117 481 F CA -0.782 57.160 58.000 -0.097 0.000 1.071 481 F CB 0.754 39.696 39.000 -0.096 0.000 1.188 481 F HN -0.189 nan 8.300 nan 0.000 0.464 482 R N 2.683 123.282 120.500 0.163 0.000 2.720 482 R HA 0.517 4.857 4.340 -0.000 0.000 0.272 482 R C -1.269 175.064 176.300 0.054 0.000 0.991 482 R CA -1.032 55.135 56.100 0.111 0.000 1.010 482 R CB 1.696 32.089 30.300 0.156 0.000 1.141 482 R HN 0.598 nan 8.270 nan 0.000 0.494 483 D N 0.039 120.453 120.400 0.024 0.000 2.736 483 D HA 0.091 4.731 4.640 -0.000 0.000 0.223 483 D C 0.581 176.918 176.300 0.062 0.000 1.231 483 D CA -0.687 53.314 54.000 0.003 0.000 0.818 483 D CB 1.254 41.987 40.800 -0.112 0.000 1.587 483 D HN 0.490 nan 8.370 nan 0.000 0.463 484 G N 1.282 110.135 108.800 0.089 0.000 2.649 484 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.220 484 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.220 484 G C -0.862 174.115 174.900 0.128 0.000 1.189 484 G CA 1.565 46.728 45.100 0.107 0.000 0.777 484 G HN 0.474 nan 8.290 nan 0.000 0.602 485 P HA -0.049 nan 4.420 nan 0.000 0.216 485 P C 1.407 178.860 177.300 0.255 0.000 1.153 485 P CA 1.271 64.497 63.100 0.210 0.000 0.848 485 P CB -0.196 31.665 31.700 0.268 0.000 0.787 486 H N -1.717 117.384 119.070 0.052 0.000 2.502 486 H HA 0.079 4.635 4.556 -0.000 0.000 0.283 486 H C 0.756 176.118 175.328 0.057 0.000 1.015 486 H CA 0.247 56.327 56.048 0.053 0.000 1.298 486 H CB -0.094 29.704 29.762 0.059 0.000 1.411 486 H HN 0.066 nan 8.280 nan 0.000 0.556 487 L N 0.889 122.224 121.223 0.186 0.000 2.715 487 L HA 0.055 4.395 4.340 -0.000 0.000 0.238 487 L C 1.244 178.170 176.870 0.093 0.000 1.212 487 L CA 0.787 55.703 54.840 0.127 0.000 1.017 487 L CB 0.108 42.239 42.059 0.120 0.000 1.269 487 L HN 0.212 nan 8.230 nan 0.000 0.452 488 E N -0.851 119.401 120.200 0.087 0.000 2.571 488 E HA -0.015 4.335 4.350 -0.000 0.000 0.204 488 E C 1.761 178.386 176.600 0.042 0.000 0.851 488 E CA 0.040 56.477 56.400 0.061 0.000 1.358 488 E CB 0.356 30.094 29.700 0.064 0.000 1.327 488 E HN 0.372 nan 8.360 nan 0.000 0.665 489 K N 0.770 121.187 120.400 0.029 0.000 2.362 489 K HA 0.100 4.420 4.320 -0.000 0.000 0.200 489 K C 1.542 178.149 176.600 0.012 0.000 1.046 489 K CA 1.125 57.413 56.287 0.001 0.000 0.952 489 K CB 0.274 32.744 32.500 -0.050 0.000 0.753 489 K HN 0.044 nan 8.250 nan 0.000 0.466 490 A N 1.327 124.165 122.820 0.030 0.000 1.864 490 A HA 0.048 4.368 4.320 -0.000 0.000 0.213 490 A C 2.179 179.784 177.584 0.036 0.000 1.266 490 A CA 0.712 52.769 52.037 0.033 0.000 0.612 490 A CB -0.692 18.337 19.000 0.049 0.000 0.940 490 A HN 0.075 nan 8.150 nan 0.000 0.463 491 V N 1.037 120.977 119.914 0.043 0.000 2.764 491 V HA -0.269 3.851 4.120 -0.000 0.000 0.261 491 V C 2.516 178.636 176.094 0.043 0.000 1.108 491 V CA 2.564 64.890 62.300 0.042 0.000 1.129 491 V CB -0.766 31.083 31.823 0.042 0.000 0.701 491 V HN 0.643 nan 8.190 nan 0.000 0.495 492 K N 0.574 120.997 120.400 0.038 0.000 2.063 492 K HA -0.035 4.285 4.320 -0.000 0.000 0.204 492 K C 2.071 178.695 176.600 0.040 0.000 1.039 492 K CA 1.433 57.742 56.287 0.036 0.000 0.957 492 K CB -0.428 32.089 32.500 0.028 0.000 0.764 492 K HN 0.394 nan 8.250 nan 0.000 0.447 493 E N 0.348 120.568 120.200 0.032 0.000 2.110 493 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 493 E C 1.958 178.586 176.600 0.047 0.000 0.988 493 E CA 0.975 57.395 56.400 0.033 0.000 0.804 493 E CB -0.053 29.661 29.700 0.022 0.000 0.745 493 E HN 0.241 nan 8.360 nan 0.000 0.458 494 L N 0.632 121.884 121.223 0.048 0.000 2.127 494 L HA -0.226 4.114 4.340 -0.000 0.000 0.211 494 L C 2.573 179.508 176.870 0.108 0.000 1.089 494 L CA 1.322 56.199 54.840 0.061 0.000 0.757 494 L CB -0.359 41.727 42.059 0.045 0.000 0.899 494 L HN 0.251 nan 8.230 nan 0.000 0.434 495 E N 0.196 120.463 120.200 0.111 0.000 2.033 495 E HA -0.247 4.103 4.350 -0.000 0.000 0.189 495 E C 2.040 178.724 176.600 0.138 0.000 0.979 495 E CA 0.715 57.210 56.400 0.159 0.000 0.802 495 E CB 0.009 29.778 29.700 0.116 0.000 0.763 495 E HN 0.333 nan 8.360 nan 0.000 0.449 496 E N 0.052 120.302 120.200 0.083 0.000 2.333 496 E HA -0.206 4.144 4.350 -0.000 0.000 0.200 496 E C 1.738 178.372 176.600 0.057 0.000 1.010 496 E CA 0.637 57.070 56.400 0.055 0.000 0.841 496 E CB 0.173 29.896 29.700 0.038 0.000 0.757 496 E HN 0.213 nan 8.360 nan 0.000 0.508 497 L N -0.449 120.825 121.223 0.085 0.000 2.253 497 L HA -0.070 4.270 4.340 -0.000 0.000 0.205 497 L C 2.058 179.008 176.870 0.133 0.000 1.078 497 L CA 0.866 55.757 54.840 0.086 0.000 0.805 497 L CB -0.924 41.181 42.059 0.077 0.000 0.963 497 L HN 0.221 nan 8.230 nan 0.000 0.459 498 Y N 0.900 121.223 120.300 0.039 0.000 2.483 498 Y HA -0.188 4.362 4.550 -0.000 0.000 0.291 498 Y C 1.986 177.912 175.900 0.043 0.000 1.143 498 Y CA 1.284 59.410 58.100 0.044 0.000 1.289 498 Y CB -0.285 38.226 38.460 0.086 0.000 0.983 498 Y HN 0.172 nan 8.280 nan 0.000 0.556 499 K N -0.379 119.978 120.400 -0.072 0.000 2.262 499 K HA 0.022 4.342 4.320 -0.000 0.000 0.200 499 K C 1.834 178.381 176.600 -0.089 0.000 1.049 499 K CA 0.789 56.977 56.287 -0.164 0.000 0.979 499 K CB 0.160 32.611 32.500 -0.082 0.000 0.773 499 K HN 0.198 nan 8.250 nan 0.000 0.474 500 K N 0.787 121.172 120.400 -0.025 0.000 2.186 500 K HA -0.016 4.304 4.320 -0.000 0.000 0.202 500 K C 1.978 178.574 176.600 -0.006 0.000 1.052 500 K CA 1.199 57.480 56.287 -0.011 0.000 0.965 500 K CB 0.155 32.660 32.500 0.008 0.000 0.746 500 K HN 0.064 nan 8.250 nan 0.000 0.457 501 S N 1.380 117.090 115.700 0.017 0.000 2.595 501 S HA -0.063 4.407 4.470 -0.000 0.000 0.235 501 S C 1.294 175.910 174.600 0.028 0.000 0.974 501 S CA 0.772 58.995 58.200 0.040 0.000 0.942 501 S CB -0.186 63.082 63.200 0.114 0.000 0.766 501 S HN 0.238 nan 8.310 nan 0.000 0.536 502 K N 0.735 121.124 120.400 -0.018 0.000 2.358 502 K HA 0.242 4.562 4.320 -0.000 0.000 0.197 502 K C 0.045 176.639 176.600 -0.009 0.000 1.025 502 K CA -0.074 56.203 56.287 -0.017 0.000 1.104 502 K CB 0.121 32.568 32.500 -0.089 0.000 0.855 502 K HN 0.237 nan 8.250 nan 0.000 0.531 503 N N 1.454 120.146 118.700 -0.014 0.000 2.467 503 N HA 0.109 4.849 4.740 -0.000 0.000 0.278 503 N C -0.754 174.747 175.510 -0.014 0.000 1.306 503 N CA 0.031 53.074 53.050 -0.013 0.000 0.905 503 N CB 1.151 39.628 38.487 -0.017 0.000 1.236 503 N HN -0.129 nan 8.380 nan 0.000 0.509 504 V N -0.365 119.540 119.914 -0.015 0.000 2.863 504 V HA 0.749 4.869 4.120 -0.000 0.000 0.307 504 V C 0.876 176.949 176.094 -0.036 0.000 1.061 504 V CA -0.772 61.509 62.300 -0.033 0.000 1.024 504 V CB 1.784 33.576 31.823 -0.052 0.000 1.049 504 V HN 0.251 nan 8.190 nan 0.000 0.471 505 G N 2.816 111.586 108.800 -0.049 0.000 2.666 505 G HA2 0.704 4.664 3.960 -0.000 0.000 0.303 505 G HA3 0.704 4.664 3.960 -0.000 0.000 0.303 505 G C -0.894 173.967 174.900 -0.065 0.000 1.412 505 G CA -0.624 44.450 45.100 -0.045 0.000 0.979 505 G HN 0.849 nan 8.290 nan 0.000 0.507 506 I N -0.657 119.874 120.570 -0.066 0.000 2.566 506 I HA 0.566 4.736 4.170 -0.000 0.000 0.303 506 I C 0.650 176.739 176.117 -0.046 0.000 0.983 506 I CA -1.157 60.097 61.300 -0.078 0.000 1.235 506 I CB 2.208 40.156 38.000 -0.088 0.000 1.386 506 I HN 0.416 nan 8.210 nan 0.000 0.494 507 K N 1.802 122.180 120.400 -0.037 0.000 2.168 507 K HA 0.165 4.485 4.320 -0.000 0.000 0.201 507 K C 0.196 176.786 176.600 -0.017 0.000 1.049 507 K CA 0.438 56.715 56.287 -0.017 0.000 0.974 507 K CB 0.004 32.503 32.500 -0.003 0.000 0.792 507 K HN 0.579 nan 8.250 nan 0.000 0.463 508 N N 2.145 120.830 118.700 -0.024 0.000 2.405 508 N HA 0.001 4.741 4.740 -0.000 0.000 0.260 508 N C 0.440 175.929 175.510 -0.034 0.000 1.152 508 N CA 0.229 53.262 53.050 -0.029 0.000 0.948 508 N CB 1.555 40.020 38.487 -0.038 0.000 1.111 508 N HN -0.052 nan 8.380 nan 0.000 0.485 509 K N 1.956 122.342 120.400 -0.022 0.000 2.228 509 K HA -0.021 4.299 4.320 -0.000 0.000 0.202 509 K C 0.243 176.837 176.600 -0.011 0.000 1.051 509 K CA 0.402 56.681 56.287 -0.013 0.000 0.960 509 K CB 0.057 32.557 32.500 -0.001 0.000 0.743 509 K HN 0.620 nan 8.250 nan 0.000 0.458 510 R N 0.326 120.813 120.500 -0.023 0.000 2.587 510 R HA -0.091 4.249 4.340 -0.000 0.000 0.268 510 R C 0.530 176.815 176.300 -0.025 0.000 0.978 510 R CA 0.463 56.551 56.100 -0.020 0.000 1.097 510 R CB 0.014 30.204 30.300 -0.183 0.000 0.917 510 R HN 0.099 nan 8.270 nan 0.000 0.414 511 L N 2.184 123.455 121.223 0.082 0.000 2.700 511 L HA 0.160 4.500 4.340 -0.000 0.000 0.234 511 L C -0.144 176.793 176.870 0.112 0.000 1.156 511 L CA -0.333 54.550 54.840 0.072 0.000 0.946 511 L CB -0.240 41.866 42.059 0.077 0.000 1.216 511 L HN 0.797 nan 8.230 nan 0.000 0.493 512 H N -2.580 116.498 119.070 0.013 0.000 2.865 512 H HA 0.434 4.990 4.556 -0.000 0.000 0.372 512 H C 0.462 175.802 175.328 0.019 0.000 1.173 512 H CA -0.580 55.479 56.048 0.017 0.000 1.147 512 H CB 1.306 31.076 29.762 0.013 0.000 1.805 512 H HN -0.093 nan 8.280 nan 0.000 0.553 513 A N 2.065 124.897 122.820 0.020 0.000 2.642 513 A HA -0.303 4.017 4.320 -0.000 0.000 0.307 513 A C 0.209 177.728 177.584 -0.109 0.000 1.512 513 A CA 1.218 53.242 52.037 -0.022 0.000 0.861 513 A CB -2.245 16.777 19.000 0.037 0.000 0.991 513 A HN 0.785 nan 8.150 nan 0.000 0.449 514 N N -0.029 118.608 118.700 -0.106 0.000 2.419 514 N HA 0.331 5.071 4.740 -0.000 0.000 0.264 514 N C -1.027 174.449 175.510 -0.056 0.000 1.031 514 N CA -1.607 51.381 53.050 -0.103 0.000 0.951 514 N CB 1.322 39.749 38.487 -0.099 0.000 1.101 514 N HN 0.239 nan 8.380 nan 0.000 0.488 515 P HA -0.019 nan 4.420 nan 0.000 0.222 515 P C 0.887 178.165 177.300 -0.036 0.000 1.157 515 P CA 0.717 63.803 63.100 -0.025 0.000 0.816 515 P CB 0.688 32.394 31.700 0.010 0.000 0.813 516 E N 0.260 120.441 120.200 -0.032 0.000 2.051 516 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 516 E C 2.058 178.552 176.600 -0.177 0.000 0.991 516 E CA 0.773 57.117 56.400 -0.093 0.000 0.799 516 E CB -0.558 29.099 29.700 -0.072 0.000 0.748 516 E HN -0.010 nan 8.360 nan 0.000 0.449 517 L N 1.425 122.571 121.223 -0.129 0.000 2.127 517 L HA -0.158 4.182 4.340 -0.000 0.000 0.211 517 L C 1.779 178.501 176.870 -0.246 0.000 1.089 517 L CA 1.813 56.583 54.840 -0.117 0.000 0.757 517 L CB -0.310 41.732 42.059 -0.027 0.000 0.899 517 L HN 0.159 nan 8.230 nan 0.000 0.434 518 E N -0.448 119.561 120.200 -0.319 0.000 2.031 518 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 518 E C 1.821 177.990 176.600 -0.718 0.000 0.994 518 E CA 1.322 57.311 56.400 -0.685 0.000 0.800 518 E CB -0.137 29.369 29.700 -0.323 0.000 0.752 518 E HN 0.505 nan 8.360 nan 0.000 0.447 519 E N -0.017 119.958 120.200 -0.375 0.000 2.515 519 E HA -0.103 4.247 4.350 -0.000 0.000 0.201 519 E C 1.453 177.872 176.600 -0.302 0.000 1.071 519 E CA 0.528 56.758 56.400 -0.284 0.000 0.880 519 E CB 0.154 29.734 29.700 -0.200 0.000 0.828 519 E HN 0.242 nan 8.360 nan 0.000 0.540 520 A N 0.492 123.116 122.820 -0.327 0.000 1.924 520 A HA -0.081 4.239 4.320 -0.000 0.000 0.211 520 A C 1.830 179.360 177.584 -0.089 0.000 1.198 520 A CA 0.544 52.463 52.037 -0.197 0.000 0.657 520 A CB -0.431 18.474 19.000 -0.159 0.000 0.852 520 A HN 0.340 nan 8.150 nan 0.000 0.454 521 Y N -1.517 118.718 120.300 -0.109 0.000 2.500 521 Y HA 0.356 4.906 4.550 -0.000 0.000 0.270 521 Y C 1.879 177.770 175.900 -0.014 0.000 1.134 521 Y CA 0.001 58.051 58.100 -0.083 0.000 1.293 521 Y CB -0.185 38.131 38.460 -0.241 0.000 1.063 521 Y HN 0.063 nan 8.280 nan 0.000 0.534 522 R N 0.354 120.752 120.500 -0.170 0.000 2.066 522 R HA 0.010 4.350 4.340 -0.000 0.000 0.224 522 R C 2.142 178.423 176.300 -0.031 0.000 1.122 522 R CA 1.160 57.209 56.100 -0.084 0.000 0.974 522 R CB -0.547 29.627 30.300 -0.210 0.000 0.871 522 R HN 0.309 nan 8.270 nan 0.000 0.435 523 V N 2.044 121.928 119.914 -0.050 0.000 2.231 523 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 523 V C -0.884 175.214 176.094 0.008 0.000 1.054 523 V CA 2.116 64.404 62.300 -0.020 0.000 1.015 523 V CB -1.194 30.615 31.823 -0.024 0.000 0.638 523 V HN 0.202 nan 8.190 nan 0.000 0.444 524 P HA -0.224 nan 4.420 nan 0.000 0.218 524 P C 1.889 179.145 177.300 -0.073 0.000 1.152 524 P CA 1.924 65.081 63.100 0.096 0.000 0.857 524 P CB -0.145 31.674 31.700 0.199 0.000 0.787 525 M N -2.525 117.038 119.600 -0.061 0.000 2.086 525 M HA -0.143 4.337 4.480 -0.000 0.000 0.261 525 M C 2.269 178.468 176.300 -0.168 0.000 1.067 525 M CA 1.972 57.185 55.300 -0.144 0.000 1.116 525 M CB -0.908 31.657 32.600 -0.060 0.000 1.348 525 M HN -0.074 nan 8.290 nan 0.000 0.407 526 M N 0.440 119.981 119.600 -0.099 0.000 2.082 526 M HA -0.232 4.248 4.480 -0.000 0.000 0.258 526 M C 2.224 178.455 176.300 -0.115 0.000 1.069 526 M CA 1.710 56.957 55.300 -0.090 0.000 1.102 526 M CB -0.737 31.837 32.600 -0.044 0.000 1.336 526 M HN 0.287 nan 8.290 nan 0.000 0.404 527 L N 0.016 121.174 121.223 -0.108 0.000 2.013 527 L HA -0.266 4.074 4.340 -0.000 0.000 0.212 527 L C 2.433 179.197 176.870 -0.176 0.000 1.073 527 L CA 1.610 56.391 54.840 -0.099 0.000 0.753 527 L CB -0.728 41.313 42.059 -0.030 0.000 0.890 527 L HN 0.318 nan 8.230 nan 0.000 0.432 528 K N -0.601 119.573 120.400 -0.376 0.000 2.147 528 K HA -0.124 4.195 4.320 -0.000 0.000 0.205 528 K C 1.914 178.395 176.600 -0.198 0.000 1.049 528 K CA 0.964 56.974 56.287 -0.462 0.000 0.936 528 K CB -0.126 31.764 32.500 -1.016 0.000 0.722 528 K HN 0.133 nan 8.250 nan 0.000 0.446 529 V N 0.721 120.505 119.914 -0.216 0.000 2.719 529 V HA -0.107 4.013 4.120 -0.000 0.000 0.252 529 V C 2.097 178.085 176.094 -0.177 0.000 1.065 529 V CA 1.610 63.781 62.300 -0.216 0.000 1.086 529 V CB -0.091 31.572 31.823 -0.268 0.000 0.700 529 V HN 0.318 nan 8.190 nan 0.000 0.467 530 A N -0.115 122.635 122.820 -0.117 0.000 1.897 530 A HA -0.041 4.279 4.320 -0.000 0.000 0.215 530 A C 2.139 179.705 177.584 -0.030 0.000 1.181 530 A CA 1.209 53.201 52.037 -0.075 0.000 0.620 530 A CB -0.386 18.576 19.000 -0.063 0.000 0.821 530 A HN 0.466 nan 8.150 nan 0.000 0.443 531 L N -0.653 120.577 121.223 0.012 0.000 2.131 531 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 531 L C 2.576 179.472 176.870 0.043 0.000 1.092 531 L CA 1.034 55.910 54.840 0.060 0.000 0.759 531 L CB -0.631 41.519 42.059 0.151 0.000 0.903 531 L HN 0.474 nan 8.230 nan 0.000 0.435 532 C N -1.181 118.140 119.300 0.034 0.000 2.422 532 C HA -0.094 4.365 4.460 -0.000 0.000 0.279 532 C C 2.715 177.691 174.990 -0.023 0.000 1.305 532 C CA 0.422 59.441 59.018 0.001 0.000 1.757 532 C CB -0.503 27.217 27.740 -0.033 0.000 1.962 532 C HN 0.359 nan 8.230 nan 0.000 0.499 533 V N 0.995 120.892 119.914 -0.028 0.000 2.331 533 V HA -0.032 4.087 4.120 -0.000 0.000 0.242 533 V C 2.694 178.811 176.094 0.039 0.000 1.034 533 V CA 1.878 64.186 62.300 0.014 0.000 1.027 533 V CB -1.413 30.449 31.823 0.065 0.000 0.667 533 V HN 0.507 nan 8.190 nan 0.000 0.457 534 A N 1.179 124.020 122.820 0.035 0.000 1.851 534 A HA -0.298 4.022 4.320 -0.000 0.000 0.216 534 A C 2.236 179.850 177.584 0.051 0.000 1.195 534 A CA 2.698 54.764 52.037 0.048 0.000 0.622 534 A CB -0.581 18.439 19.000 0.033 0.000 0.831 534 A HN 0.539 nan 8.150 nan 0.000 0.444 535 K N -0.061 120.362 120.400 0.038 0.000 2.097 535 K HA 0.016 4.336 4.320 -0.000 0.000 0.205 535 K C 1.868 178.496 176.600 0.048 0.000 1.050 535 K CA 1.903 58.214 56.287 0.039 0.000 0.938 535 K CB -1.047 31.465 32.500 0.020 0.000 0.718 535 K HN 0.268 nan 8.250 nan 0.000 0.442 536 G N 0.026 108.845 108.800 0.032 0.000 2.442 536 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.219 536 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.219 536 G C 1.631 176.552 174.900 0.036 0.000 1.141 536 G CA 0.979 46.100 45.100 0.035 0.000 0.763 536 G HN 0.483 nan 8.290 nan 0.000 0.554 537 A N 0.247 123.072 122.820 0.008 0.000 1.898 537 A HA 0.226 4.546 4.320 -0.000 0.000 0.214 537 A C 2.300 179.938 177.584 0.090 0.000 1.183 537 A CA 1.436 53.454 52.037 -0.031 0.000 0.622 537 A CB -0.386 18.626 19.000 0.020 0.000 0.824 537 A HN 0.448 nan 8.150 nan 0.000 0.444 538 L N 0.470 121.739 121.223 0.078 0.000 2.012 538 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 538 L C 1.616 178.491 176.870 0.008 0.000 1.073 538 L CA 2.780 57.654 54.840 0.057 0.000 0.748 538 L CB -0.816 41.279 42.059 0.059 0.000 0.891 538 L HN 0.346 nan 8.230 nan 0.000 0.431 539 D N -0.189 120.238 120.400 0.044 0.000 2.084 539 D HA -0.176 4.464 4.640 -0.000 0.000 0.194 539 D C 1.248 177.461 176.300 -0.146 0.000 0.990 539 D CA 1.156 55.195 54.000 0.066 0.000 0.826 539 D CB -0.267 40.694 40.800 0.267 0.000 0.971 539 D HN 0.226 nan 8.370 nan 0.000 0.453 540 R N 1.401 121.769 120.500 -0.221 0.000 2.808 540 R HA 0.004 4.344 4.340 -0.000 0.000 0.248 540 R C -0.336 175.494 176.300 -0.782 0.000 1.539 540 R CA 0.109 55.755 56.100 -0.758 0.000 1.071 540 R CB -0.629 29.525 30.300 -0.243 0.000 1.172 540 R HN 0.057 nan 8.270 nan 0.000 0.579 541 T N 1.457 115.340 114.554 -1.119 0.000 4.219 541 T HA 0.196 4.546 4.350 -0.000 0.000 0.263 541 T C -0.472 173.749 174.700 -0.798 0.000 1.217 541 T CA -0.493 61.006 62.100 -1.002 0.000 1.145 541 T CB -0.248 67.976 68.868 -1.073 0.000 1.298 541 T HN 0.721 nan 8.240 nan 0.000 0.999 542 E N -0.347 119.526 120.200 -0.546 0.000 2.421 542 E HA 0.471 4.821 4.350 -0.000 0.000 0.278 542 E C -1.562 174.883 176.600 -0.258 0.000 1.141 542 E CA -1.108 55.159 56.400 -0.221 0.000 0.880 542 E CB 0.098 29.686 29.700 -0.187 0.000 1.381 542 E HN 0.045 nan 8.360 nan 0.000 0.436 543 S N 0.253 115.887 115.700 -0.111 0.000 2.532 543 S HA 0.563 5.033 4.470 -0.000 0.000 0.318 543 S C -0.882 173.694 174.600 -0.040 0.000 1.083 543 S CA -0.741 57.397 58.200 -0.103 0.000 1.131 543 S CB 0.314 63.509 63.200 -0.010 0.000 0.973 543 S HN 0.484 nan 8.310 nan 0.000 0.468 544 R N 2.184 122.640 120.500 -0.074 0.000 2.561 544 R HA 0.605 4.945 4.340 -0.000 0.000 0.297 544 R C 0.928 177.253 176.300 0.042 0.000 0.969 544 R CA 0.206 56.257 56.100 -0.083 0.000 0.879 544 R CB 0.794 30.894 30.300 -0.334 0.000 1.178 544 R HN 0.752 nan 8.270 nan 0.000 0.445 545 G N 2.610 111.480 108.800 0.117 0.000 2.672 545 G HA2 -0.470 3.490 3.960 -0.000 0.000 0.324 545 G HA3 -0.470 3.490 3.960 -0.000 0.000 0.324 545 G C 0.744 175.771 174.900 0.212 0.000 1.286 545 G CA 0.632 45.856 45.100 0.208 0.000 1.004 545 G HN 0.903 nan 8.290 nan 0.000 0.548 546 A N -0.349 122.639 122.820 0.279 0.000 2.239 546 A HA 0.200 4.520 4.320 -0.000 0.000 0.209 546 A C 1.181 178.922 177.584 0.263 0.000 1.171 546 A CA 1.597 53.769 52.037 0.225 0.000 0.768 546 A CB -0.425 18.725 19.000 0.250 0.000 0.790 546 A HN 0.854 nan 8.150 nan 0.000 0.478 547 H N 1.328 120.515 119.070 0.195 0.000 2.787 547 H HA 0.206 4.762 4.556 -0.000 0.000 0.275 547 H C -0.960 174.407 175.328 0.064 0.000 1.183 547 H CA -0.704 55.431 56.048 0.144 0.000 1.290 547 H CB -0.035 29.835 29.762 0.182 0.000 1.438 547 H HN 0.228 nan 8.280 nan 0.000 0.487 548 N N 4.727 123.435 118.700 0.014 0.000 2.457 548 N HA 0.148 4.888 4.740 -0.000 0.000 0.250 548 N C -0.497 175.009 175.510 -0.007 0.000 0.982 548 N CA -0.446 52.611 53.050 0.011 0.000 0.941 548 N CB 1.185 39.713 38.487 0.068 0.000 1.120 548 N HN 0.526 nan 8.380 nan 0.000 0.505 549 R N 2.120 122.560 120.500 -0.100 0.000 2.247 549 R HA 0.141 4.481 4.340 -0.000 0.000 0.329 549 R C 0.804 177.121 176.300 0.028 0.000 1.014 549 R CA -0.283 55.773 56.100 -0.073 0.000 0.907 549 R CB 0.631 30.828 30.300 -0.170 0.000 1.146 549 R HN 0.607 nan 8.270 nan 0.000 0.499 550 E N 0.973 121.190 120.200 0.028 0.000 2.284 550 E HA -0.213 4.137 4.350 -0.000 0.000 0.200 550 E C 0.481 177.057 176.600 -0.039 0.000 1.008 550 E CA 1.524 57.894 56.400 -0.050 0.000 0.829 550 E CB 0.356 29.979 29.700 -0.129 0.000 0.744 550 E HN 0.561 nan 8.360 nan 0.000 0.491 551 D N -1.305 119.112 120.400 0.028 0.000 2.379 551 D HA -0.079 4.561 4.640 -0.000 0.000 0.208 551 D C 0.153 176.368 176.300 -0.142 0.000 1.065 551 D CA 0.188 54.180 54.000 -0.014 0.000 0.848 551 D CB 0.093 40.932 40.800 0.066 0.000 0.949 551 D HN 0.209 nan 8.370 nan 0.000 0.509 552 Y N 0.534 120.795 120.300 -0.066 0.000 2.614 552 Y HA 0.253 4.803 4.550 -0.000 0.000 0.296 552 Y C -1.806 174.059 175.900 -0.059 0.000 0.942 552 Y CA -2.004 56.061 58.100 -0.059 0.000 1.111 552 Y CB 1.144 39.551 38.460 -0.089 0.000 1.182 552 Y HN -0.115 nan 8.280 nan 0.000 0.624 553 P HA -0.201 nan 4.420 nan 0.000 0.229 553 P C -0.351 176.985 177.300 0.060 0.000 1.147 553 P CA 1.229 64.354 63.100 0.041 0.000 0.766 553 P CB 0.219 31.928 31.700 0.016 0.000 0.775 554 K N 0.623 121.065 120.400 0.070 0.000 2.235 554 K HA 0.274 4.594 4.320 -0.000 0.000 0.266 554 K C 0.464 177.133 176.600 0.115 0.000 0.980 554 K CA -0.867 55.476 56.287 0.093 0.000 0.849 554 K CB 1.540 34.084 32.500 0.073 0.000 1.098 554 K HN -0.171 nan 8.250 nan 0.000 0.445 555 R N 3.054 123.637 120.500 0.140 0.000 3.097 555 R HA -0.087 4.253 4.340 -0.000 0.000 0.212 555 R C -0.384 176.018 176.300 0.171 0.000 1.651 555 R CA 0.008 56.188 56.100 0.134 0.000 1.134 555 R CB -0.529 29.863 30.300 0.152 0.000 1.241 555 R HN 0.535 nan 8.270 nan 0.000 0.640 556 D N 1.979 122.488 120.400 0.182 0.000 2.479 556 D HA -0.098 4.542 4.640 -0.000 0.000 0.257 556 D C -0.041 176.380 176.300 0.203 0.000 1.230 556 D CA 0.482 54.619 54.000 0.228 0.000 0.912 556 D CB 0.738 41.768 40.800 0.384 0.000 1.130 556 D HN 0.437 nan 8.370 nan 0.000 0.515 557 D N 2.989 123.478 120.400 0.149 0.000 2.301 557 D HA 0.065 4.705 4.640 -0.000 0.000 0.206 557 D C 1.909 178.244 176.300 0.058 0.000 0.979 557 D CA 0.186 54.245 54.000 0.099 0.000 0.874 557 D CB 0.234 41.081 40.800 0.078 0.000 0.968 557 D HN 0.505 nan 8.370 nan 0.000 0.510 558 I N 0.524 121.123 120.570 0.048 0.000 2.676 558 I HA -0.106 4.064 4.170 -0.000 0.000 0.259 558 I C 1.594 177.673 176.117 -0.063 0.000 1.194 558 I CA 0.763 62.062 61.300 -0.001 0.000 1.473 558 I CB 0.055 38.057 38.000 0.003 0.000 1.096 558 I HN 0.012 nan 8.210 nan 0.000 0.443 559 N N -0.835 117.810 118.700 -0.093 0.000 2.557 559 N HA 0.023 4.763 4.740 -0.000 0.000 0.217 559 N C 0.066 175.250 175.510 -0.543 0.000 1.062 559 N CA 0.398 53.233 53.050 -0.358 0.000 0.863 559 N CB 0.298 38.525 38.487 -0.433 0.000 1.390 559 N HN 0.216 nan 8.380 nan 0.000 0.445 560 W N 1.915 123.211 121.300 -0.007 0.000 1.844 560 W HA 0.454 5.114 4.660 -0.000 0.000 0.310 560 W C -0.097 176.436 176.519 0.022 0.000 0.760 560 W CA -0.386 56.958 57.345 -0.000 0.000 2.103 560 W CB 0.014 29.463 29.460 -0.019 0.000 2.217 560 W HN -0.079 nan 8.180 nan 0.000 0.408 561 L N 3.416 124.735 121.223 0.161 0.000 2.935 561 L HA 0.338 4.678 4.340 -0.000 0.000 0.243 561 L C 0.096 177.071 176.870 0.175 0.000 1.313 561 L CA -0.040 54.894 54.840 0.157 0.000 0.969 561 L CB -0.856 41.262 42.059 0.098 0.000 1.320 561 L HN 0.285 nan 8.230 nan 0.000 0.511 562 N N -0.762 118.093 118.700 0.257 0.000 3.167 562 N HA 0.571 5.311 4.740 -0.000 0.000 0.323 562 N C -1.000 174.742 175.510 0.387 0.000 1.478 562 N CA -1.217 52.005 53.050 0.287 0.000 0.753 562 N CB 1.300 39.959 38.487 0.288 0.000 1.721 562 N HN 0.072 nan 8.380 nan 0.000 0.618 563 R N 0.199 120.910 120.500 0.351 0.000 2.502 563 R HA 0.240 4.580 4.340 -0.000 0.000 0.300 563 R C -1.194 175.230 176.300 0.207 0.000 0.984 563 R CA -0.420 55.867 56.100 0.311 0.000 0.882 563 R CB 1.503 31.924 30.300 0.201 0.000 1.180 563 R HN 0.628 nan 8.270 nan 0.000 0.444 564 T N 6.328 120.997 114.554 0.191 0.000 3.058 564 T HA 0.085 4.435 4.350 -0.000 0.000 0.249 564 T C 0.512 175.113 174.700 -0.165 0.000 0.949 564 T CA 0.211 62.242 62.100 -0.116 0.000 1.204 564 T CB -0.439 68.444 68.868 0.025 0.000 0.963 564 T HN 0.354 nan 8.240 nan 0.000 0.634 565 L N 3.188 124.286 121.223 -0.207 0.000 2.401 565 L HA 0.353 4.693 4.340 -0.000 0.000 0.283 565 L C 0.945 177.732 176.870 -0.138 0.000 1.151 565 L CA -0.681 54.087 54.840 -0.119 0.000 0.942 565 L CB -0.281 41.738 42.059 -0.066 0.000 1.283 565 L HN 0.517 nan 8.230 nan 0.000 0.442 566 A N 3.204 125.963 122.820 -0.101 0.000 2.366 566 A HA 0.616 4.936 4.320 -0.000 0.000 0.272 566 A C 0.327 177.899 177.584 -0.019 0.000 1.135 566 A CA -0.281 51.713 52.037 -0.071 0.000 0.804 566 A CB 0.550 19.520 19.000 -0.051 0.000 1.064 566 A HN 0.679 nan 8.150 nan 0.000 0.499 567 S N 1.386 117.083 115.700 -0.004 0.000 2.704 567 S HA 0.766 5.236 4.470 -0.000 0.000 0.296 567 S C -0.925 173.747 174.600 0.121 0.000 1.138 567 S CA -0.574 57.655 58.200 0.050 0.000 0.875 567 S CB 1.477 64.687 63.200 0.016 0.000 1.151 567 S HN 0.993 nan 8.310 nan 0.000 0.500 568 W N 2.886 124.157 121.300 -0.048 0.000 1.851 568 W HA 0.333 4.993 4.660 -0.000 0.000 0.303 568 W C -2.662 173.841 176.519 -0.028 0.000 0.969 568 W CA -1.969 55.353 57.345 -0.039 0.000 1.537 568 W CB 1.199 30.627 29.460 -0.053 0.000 1.682 568 W HN 0.641 nan 8.180 nan 0.000 0.367 569 P HA -0.182 nan 4.420 nan 0.000 0.215 569 P C 0.447 177.820 177.300 0.121 0.000 1.157 569 P CA 1.525 64.679 63.100 0.089 0.000 0.874 569 P CB 0.366 32.078 31.700 0.019 0.000 0.790 570 N N -0.538 118.240 118.700 0.131 0.000 2.456 570 N HA 0.113 4.853 4.740 -0.000 0.000 0.296 570 N C -1.686 173.997 175.510 0.289 0.000 1.102 570 N CA -2.133 51.003 53.050 0.144 0.000 0.924 570 N CB 2.342 40.870 38.487 0.069 0.000 1.186 570 N HN -0.158 nan 8.380 nan 0.000 0.492 571 P HA -0.053 nan 4.420 nan 0.000 0.217 571 P C 0.510 177.966 177.300 0.261 0.000 1.151 571 P CA 1.256 64.473 63.100 0.196 0.000 0.828 571 P CB 0.716 32.462 31.700 0.076 0.000 0.788 572 E N 0.570 120.888 120.200 0.196 0.000 2.008 572 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 572 E C 1.017 177.770 176.600 0.254 0.000 0.986 572 E CA 0.325 56.827 56.400 0.170 0.000 0.807 572 E CB -0.882 28.866 29.700 0.080 0.000 0.766 572 E HN 0.410 nan 8.360 nan 0.000 0.450 573 Q N 0.694 120.596 119.800 0.170 0.000 2.804 573 Q HA -0.158 4.182 4.340 -0.000 0.000 0.397 573 Q C 0.120 176.236 176.000 0.194 0.000 1.225 573 Q CA 1.316 57.148 55.803 0.048 0.000 1.129 573 Q CB 0.159 28.779 28.738 -0.197 0.000 1.182 573 Q HN 0.246 nan 8.270 nan 0.000 0.478 574 T N 0.835 115.445 114.554 0.092 0.000 3.040 574 T HA 0.345 4.695 4.350 -0.000 0.000 0.250 574 T C 0.507 175.199 174.700 -0.012 0.000 1.058 574 T CA -0.217 62.054 62.100 0.285 0.000 0.988 574 T CB 0.295 69.299 68.868 0.227 0.000 0.993 574 T HN 0.454 nan 8.240 nan 0.000 0.519 575 L N 2.540 123.514 121.223 -0.415 0.000 2.410 575 L HA 0.504 4.844 4.340 -0.000 0.000 0.270 575 L C -2.531 173.850 176.870 -0.815 0.000 0.983 575 L CA -2.747 51.806 54.840 -0.479 0.000 0.822 575 L CB 2.597 44.533 42.059 -0.205 0.000 1.285 575 L HN -0.114 nan 8.230 nan 0.000 0.409 576 P HA -0.009 nan 4.420 nan 0.000 0.267 576 P C -0.553 176.561 177.300 -0.309 0.000 1.201 576 P CA -0.044 62.767 63.100 -0.482 0.000 0.775 576 P CB 0.550 32.187 31.700 -0.106 0.000 0.854 577 T N 3.364 117.780 114.554 -0.231 0.000 3.016 577 T HA 0.334 4.684 4.350 -0.000 0.000 0.335 577 T C 0.369 175.012 174.700 -0.095 0.000 1.176 577 T CA -0.396 61.618 62.100 -0.144 0.000 0.987 577 T CB -0.480 68.314 68.868 -0.125 0.000 1.073 577 T HN 0.203 nan 8.240 nan 0.000 0.547 578 L N 3.847 125.021 121.223 -0.082 0.000 2.361 578 L HA 0.373 4.713 4.340 -0.000 0.000 0.278 578 L C 0.700 177.492 176.870 -0.131 0.000 1.113 578 L CA -0.084 54.672 54.840 -0.140 0.000 0.849 578 L CB 0.322 42.317 42.059 -0.106 0.000 1.155 578 L HN 0.520 nan 8.230 nan 0.000 0.452 579 E N 2.643 122.705 120.200 -0.229 0.000 2.277 579 E HA 0.508 4.858 4.350 -0.000 0.000 0.266 579 E C -1.605 174.822 176.600 -0.289 0.000 0.901 579 E CA -0.846 55.502 56.400 -0.087 0.000 0.782 579 E CB 2.309 31.995 29.700 -0.023 0.000 1.228 579 E HN 0.270 nan 8.360 nan 0.000 0.424 580 Y N 0.455 120.793 120.300 0.062 0.000 2.446 580 Y HA 0.293 4.843 4.550 -0.000 0.000 0.338 580 Y C 0.003 175.938 175.900 0.059 0.000 1.055 580 Y CA -0.853 57.297 58.100 0.084 0.000 1.101 580 Y CB 1.720 40.232 38.460 0.087 0.000 1.221 580 Y HN 0.453 nan 8.280 nan 0.000 0.460 581 E N 1.801 122.116 120.200 0.192 0.000 2.165 581 E HA 0.721 5.070 4.350 -0.000 0.000 0.266 581 E C -1.260 175.425 176.600 0.143 0.000 0.889 581 E CA -0.870 55.608 56.400 0.132 0.000 0.756 581 E CB 1.113 30.872 29.700 0.098 0.000 1.131 581 E HN 0.793 nan 8.360 nan 0.000 0.411 582 A N 4.130 127.012 122.820 0.102 0.000 2.322 582 A HA 0.452 4.772 4.320 -0.000 0.000 0.269 582 A C -0.803 176.834 177.584 0.087 0.000 1.094 582 A CA -0.469 51.620 52.037 0.086 0.000 0.807 582 A CB 0.410 19.437 19.000 0.045 0.000 1.047 582 A HN 0.573 nan 8.150 nan 0.000 0.487 583 L N 1.412 122.690 121.223 0.092 0.000 2.309 583 L HA 0.351 4.691 4.340 -0.000 0.000 0.282 583 L C -0.039 176.874 176.870 0.070 0.000 1.036 583 L CA -0.120 54.776 54.840 0.094 0.000 0.806 583 L CB 1.504 43.639 42.059 0.126 0.000 1.220 583 L HN 0.653 nan 8.230 nan 0.000 0.429 584 D N 1.684 122.124 120.400 0.065 0.000 2.380 584 D HA 0.158 4.798 4.640 -0.000 0.000 0.230 584 D C 0.913 177.246 176.300 0.055 0.000 1.154 584 D CA -0.166 53.864 54.000 0.050 0.000 0.859 584 D CB 1.456 42.280 40.800 0.040 0.000 1.045 584 D HN 0.270 nan 8.370 nan 0.000 0.495 585 V N 3.873 123.812 119.914 0.042 0.000 2.594 585 V HA -0.224 3.896 4.120 -0.000 0.000 0.253 585 V C 1.101 177.218 176.094 0.038 0.000 1.069 585 V CA 1.335 63.656 62.300 0.035 0.000 1.082 585 V CB -0.652 31.176 31.823 0.007 0.000 0.680 585 V HN 0.518 nan 8.190 nan 0.000 0.469 586 N N 0.135 118.855 118.700 0.033 0.000 2.389 586 N HA 0.103 4.843 4.740 -0.000 0.000 0.237 586 N C 0.837 176.370 175.510 0.039 0.000 1.148 586 N CA 0.123 53.191 53.050 0.031 0.000 0.854 586 N CB 0.162 38.661 38.487 0.020 0.000 1.115 586 N HN 0.549 nan 8.380 nan 0.000 0.492 587 E N -0.556 119.677 120.200 0.055 0.000 2.679 587 E HA 0.160 4.510 4.350 -0.000 0.000 0.221 587 E C -0.276 176.383 176.600 0.098 0.000 0.928 587 E CA -0.003 56.434 56.400 0.062 0.000 1.296 587 E CB 0.600 30.332 29.700 0.052 0.000 1.235 587 E HN 0.332 nan 8.360 nan 0.000 0.622 588 M N 1.618 121.287 119.600 0.115 0.000 2.200 588 M HA 0.113 4.593 4.480 -0.000 0.000 0.355 588 M C 1.027 177.440 176.300 0.189 0.000 1.283 588 M CA 0.446 55.849 55.300 0.172 0.000 1.124 588 M CB 0.921 33.625 32.600 0.173 0.000 1.625 588 M HN 0.005 nan 8.290 nan 0.000 0.463 589 E N 3.328 123.695 120.200 0.279 0.000 2.511 589 E HA 0.096 4.446 4.350 -0.000 0.000 0.196 589 E C -0.446 176.318 176.600 0.273 0.000 1.066 589 E CA 0.519 57.098 56.400 0.298 0.000 0.871 589 E CB 0.395 30.371 29.700 0.460 0.000 0.863 589 E HN 0.634 nan 8.360 nan 0.000 0.520 590 I N 1.138 121.859 120.570 0.253 0.000 2.599 590 I HA 0.291 4.461 4.170 -0.000 0.000 0.285 590 I C -0.751 175.532 176.117 0.278 0.000 1.168 590 I CA -0.826 60.622 61.300 0.246 0.000 1.060 590 I CB 1.812 39.947 38.000 0.224 0.000 1.249 590 I HN -0.051 nan 8.210 nan 0.000 0.442 591 A N 6.980 129.843 122.820 0.071 0.000 2.354 591 A HA 0.655 4.975 4.320 -0.000 0.000 0.269 591 A C -2.411 174.809 177.584 -0.607 0.000 1.109 591 A CA -1.372 50.572 52.037 -0.155 0.000 0.800 591 A CB -0.226 18.709 19.000 -0.109 0.000 1.045 591 A HN 0.441 nan 8.150 nan 0.000 0.489 592 P HA 0.093 nan 4.420 nan 0.000 0.249 592 P C 0.561 177.159 177.300 -1.170 0.000 1.140 592 P CA 1.564 63.715 63.100 -1.581 0.000 0.803 592 P CB 0.190 31.433 31.700 -0.761 0.000 0.745 593 G N 2.473 110.327 108.800 -1.577 0.000 2.896 593 G HA2 0.315 4.275 3.960 -0.000 0.000 0.247 593 G HA3 0.315 4.275 3.960 -0.000 0.000 0.247 593 G C -1.710 172.864 174.900 -0.543 0.000 1.187 593 G CA -0.366 44.281 45.100 -0.756 0.000 0.837 593 G HN 0.275 nan 8.290 nan 0.000 0.559 594 Y N 2.058 122.288 120.300 -0.117 0.000 2.319 594 Y HA 0.388 4.938 4.550 -0.000 0.000 0.328 594 Y C 2.092 178.054 175.900 0.103 0.000 1.133 594 Y CA -0.544 57.579 58.100 0.039 0.000 1.265 594 Y CB 1.060 39.589 38.460 0.114 0.000 1.218 594 Y HN 0.491 nan 8.280 nan 0.000 0.508 595 R N 3.330 123.525 120.500 -0.509 0.000 2.319 595 R HA 0.239 4.579 4.340 -0.000 0.000 0.204 595 R C 1.057 176.778 176.300 -0.965 0.000 0.954 595 R CA 0.654 56.361 56.100 -0.654 0.000 1.066 595 R CB -0.399 29.475 30.300 -0.710 0.000 0.991 595 R HN 1.029 nan 8.270 nan 0.000 0.486 596 G N 0.312 108.484 108.800 -1.046 0.000 2.199 596 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.254 596 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.254 596 G C -0.064 174.646 174.900 -0.316 0.000 0.982 596 G CA 0.585 45.398 45.100 -0.478 0.000 0.632 596 G HN 0.633 nan 8.290 nan 0.000 0.529 597 Y N -3.994 115.964 120.300 -0.571 0.000 2.963 597 Y HA 0.595 5.145 4.550 -0.000 0.000 0.322 597 Y C 0.955 176.785 175.900 -0.118 0.000 1.553 597 Y CA -0.222 57.779 58.100 -0.165 0.000 1.098 597 Y CB 0.072 38.484 38.460 -0.078 0.000 2.098 597 Y HN 1.910 nan 8.280 nan 0.000 0.413 598 G N 0.485 109.555 108.800 0.451 0.000 2.877 598 G HA2 0.323 4.283 3.960 -0.000 0.000 0.279 598 G HA3 0.323 4.283 3.960 -0.000 0.000 0.279 598 G C -0.155 174.902 174.900 0.262 0.000 1.431 598 G CA 0.150 45.438 45.100 0.312 0.000 0.883 598 G HN 1.898 nan 8.290 nan 0.000 0.547 599 A N 0.345 123.290 122.820 0.208 0.000 2.524 599 A HA 0.495 4.815 4.320 -0.000 0.000 0.250 599 A C 0.948 178.689 177.584 0.261 0.000 1.078 599 A CA 0.928 53.065 52.037 0.167 0.000 0.761 599 A CB 0.086 19.166 19.000 0.134 0.000 1.012 599 A HN 0.720 nan 8.150 nan 0.000 0.500 600 K N 1.588 122.088 120.400 0.168 0.000 2.295 600 K HA 0.329 4.649 4.320 -0.000 0.000 0.270 600 K C 1.027 177.639 176.600 0.020 0.000 1.011 600 K CA 0.776 57.075 56.287 0.021 0.000 0.953 600 K CB 0.497 32.859 32.500 -0.230 0.000 0.956 600 K HN 1.350 nan 8.250 nan 0.000 0.477 601 G N 2.420 111.232 108.800 0.020 0.000 2.372 601 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.290 601 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.290 601 G C -0.023 174.871 174.900 -0.009 0.000 0.965 601 G CA 0.406 45.486 45.100 -0.033 0.000 1.263 601 G HN 0.735 nan 8.290 nan 0.000 0.498 602 N N -0.443 118.339 118.700 0.137 0.000 2.433 602 N HA 0.335 5.075 4.740 -0.000 0.000 0.270 602 N C -0.478 175.148 175.510 0.193 0.000 1.354 602 N CA -0.521 52.601 53.050 0.121 0.000 0.889 602 N CB 0.435 39.011 38.487 0.148 0.000 1.285 602 N HN 0.692 nan 8.380 nan 0.000 0.503 603 Y N -0.940 119.388 120.300 0.046 0.000 2.363 603 Y HA 0.553 5.103 4.550 -0.000 0.000 0.325 603 Y C -0.389 175.523 175.900 0.020 0.000 0.984 603 Y CA -1.324 56.800 58.100 0.040 0.000 1.248 603 Y CB 0.205 38.691 38.460 0.043 0.000 1.116 603 Y HN -0.156 nan 8.280 nan 0.000 0.470 604 I N 4.300 124.924 120.570 0.090 0.000 2.907 604 I HA -0.092 4.078 4.170 -0.000 0.000 0.285 604 I C 0.689 176.850 176.117 0.074 0.000 1.189 604 I CA 0.819 62.136 61.300 0.028 0.000 1.376 604 I CB 0.164 38.202 38.000 0.063 0.000 1.420 604 I HN 0.760 nan 8.210 nan 0.000 0.544 605 E N 6.681 126.875 120.200 -0.010 0.000 2.390 605 E HA 0.047 4.397 4.350 -0.000 0.000 0.261 605 E C -0.152 176.474 176.600 0.043 0.000 1.076 605 E CA -0.446 55.995 56.400 0.068 0.000 0.905 605 E CB 0.769 30.461 29.700 -0.013 0.000 0.984 605 E HN 0.514 nan 8.360 nan 0.000 0.427 606 N N 3.616 122.345 118.700 0.049 0.000 2.443 606 N HA 0.181 4.921 4.740 -0.000 0.000 0.295 606 N C -1.925 173.585 175.510 0.000 0.000 1.076 606 N CA -1.886 51.173 53.050 0.015 0.000 0.919 606 N CB 1.547 40.038 38.487 0.007 0.000 1.176 606 N HN 0.296 nan 8.380 nan 0.000 0.487 607 P HA -0.112 nan 4.420 nan 0.000 0.215 607 P C 1.477 178.770 177.300 -0.012 0.000 1.157 607 P CA 1.061 64.154 63.100 -0.010 0.000 0.863 607 P CB 0.424 32.117 31.700 -0.011 0.000 0.787 608 L N -0.065 121.150 121.223 -0.013 0.000 2.265 608 L HA -0.105 4.234 4.340 -0.000 0.000 0.215 608 L C 2.692 179.549 176.870 -0.021 0.000 1.117 608 L CA 1.461 56.294 54.840 -0.013 0.000 0.782 608 L CB -1.533 40.520 42.059 -0.010 0.000 0.914 608 L HN -0.068 nan 8.230 nan 0.000 0.441 609 S N -0.469 115.212 115.700 -0.033 0.000 2.359 609 S HA -0.206 4.264 4.470 -0.000 0.000 0.222 609 S C 2.062 176.631 174.600 -0.051 0.000 1.038 609 S CA 1.764 59.926 58.200 -0.063 0.000 1.051 609 S CB -0.578 62.577 63.200 -0.075 0.000 0.944 609 S HN 0.262 nan 8.310 nan 0.000 0.433 610 V N 2.151 122.047 119.914 -0.030 0.000 2.237 610 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 610 V C 2.298 178.384 176.094 -0.013 0.000 1.046 610 V CA 1.784 64.073 62.300 -0.019 0.000 1.007 610 V CB -0.821 30.995 31.823 -0.011 0.000 0.638 610 V HN 0.390 nan 8.190 nan 0.000 0.445 611 K N -0.017 120.377 120.400 -0.011 0.000 2.077 611 K HA -0.319 4.001 4.320 -0.000 0.000 0.213 611 K C 2.393 178.991 176.600 -0.003 0.000 1.051 611 K CA 2.291 58.575 56.287 -0.006 0.000 0.929 611 K CB -0.340 32.157 32.500 -0.005 0.000 0.715 611 K HN 0.253 nan 8.250 nan 0.000 0.451 612 R N 1.542 122.039 120.500 -0.005 0.000 2.081 612 R HA -0.191 4.149 4.340 -0.000 0.000 0.235 612 R C 2.233 178.537 176.300 0.005 0.000 1.131 612 R CA 1.855 57.956 56.100 0.002 0.000 0.960 612 R CB -0.597 29.702 30.300 -0.001 0.000 0.856 612 R HN 0.126 nan 8.270 nan 0.000 0.436 613 Q N 0.829 120.626 119.800 -0.005 0.000 2.030 613 Q HA -0.188 4.152 4.340 -0.000 0.000 0.204 613 Q C 1.682 177.688 176.000 0.011 0.000 0.986 613 Q CA 2.506 58.310 55.803 0.002 0.000 0.843 613 Q CB -0.235 28.497 28.738 -0.010 0.000 0.904 613 Q HN 0.606 nan 8.270 nan 0.000 0.420 614 E N 0.342 120.546 120.200 0.006 0.000 2.048 614 E HA -0.262 4.088 4.350 -0.000 0.000 0.202 614 E C 1.695 178.302 176.600 0.012 0.000 1.021 614 E CA 1.569 57.974 56.400 0.008 0.000 0.825 614 E CB -0.427 29.276 29.700 0.005 0.000 0.756 614 E HN 0.755 nan 8.360 nan 0.000 0.454 615 E N 0.811 121.018 120.200 0.011 0.000 2.515 615 E HA -0.125 4.225 4.350 -0.000 0.000 0.201 615 E C 1.771 178.382 176.600 0.019 0.000 1.071 615 E CA 0.475 56.883 56.400 0.013 0.000 0.880 615 E CB -0.165 29.542 29.700 0.011 0.000 0.828 615 E HN 0.363 nan 8.360 nan 0.000 0.540 616 I N 1.388 121.972 120.570 0.024 0.000 2.429 616 I HA -0.140 4.030 4.170 -0.000 0.000 0.247 616 I C 1.487 177.622 176.117 0.031 0.000 1.099 616 I CA 0.669 61.989 61.300 0.034 0.000 1.422 616 I CB -0.044 37.983 38.000 0.045 0.000 1.112 616 I HN -0.002 nan 8.210 nan 0.000 0.430 617 D N 1.108 121.524 120.400 0.028 0.000 2.219 617 D HA -0.168 4.472 4.640 -0.000 0.000 0.205 617 D C 1.907 178.218 176.300 0.019 0.000 0.970 617 D CA 0.916 54.931 54.000 0.025 0.000 0.851 617 D CB -0.093 40.720 40.800 0.023 0.000 0.943 617 D HN 0.275 nan 8.370 nan 0.000 0.488 618 K N 0.841 121.251 120.400 0.017 0.000 1.963 618 K HA -0.097 4.223 4.320 -0.000 0.000 0.216 618 K C 2.244 178.852 176.600 0.013 0.000 1.045 618 K CA 0.815 57.110 56.287 0.013 0.000 0.954 618 K CB -0.229 32.277 32.500 0.011 0.000 0.732 618 K HN -0.009 nan 8.250 nan 0.000 0.442 619 I N 1.474 122.053 120.570 0.014 0.000 2.145 619 I HA -0.385 3.785 4.170 -0.000 0.000 0.244 619 I C 2.799 178.925 176.117 0.014 0.000 1.075 619 I CA 1.259 62.568 61.300 0.014 0.000 1.332 619 I CB -0.517 37.492 38.000 0.016 0.000 1.033 619 I HN 0.412 nan 8.210 nan 0.000 0.410 620 Q N 0.750 120.561 119.800 0.019 0.000 1.900 620 Q HA -0.238 4.102 4.340 -0.000 0.000 0.219 620 Q C 2.458 178.467 176.000 0.015 0.000 1.012 620 Q CA 2.487 58.302 55.803 0.021 0.000 0.876 620 Q CB -0.644 28.110 28.738 0.027 0.000 0.952 620 Q HN 0.456 nan 8.270 nan 0.000 0.419 621 S N 1.066 116.775 115.700 0.015 0.000 2.392 621 S HA -0.198 4.272 4.470 -0.000 0.000 0.232 621 S C 1.811 176.417 174.600 0.009 0.000 1.041 621 S CA 1.555 59.763 58.200 0.012 0.000 1.026 621 S CB -0.242 62.965 63.200 0.012 0.000 0.845 621 S HN 0.353 nan 8.310 nan 0.000 0.465 622 E N 0.750 120.955 120.200 0.009 0.000 2.051 622 E HA -0.056 4.294 4.350 -0.000 0.000 0.192 622 E C 1.735 178.338 176.600 0.005 0.000 0.991 622 E CA 0.926 57.330 56.400 0.007 0.000 0.799 622 E CB -0.241 29.463 29.700 0.006 0.000 0.748 622 E HN 0.450 nan 8.360 nan 0.000 0.449 623 L N 0.692 121.918 121.223 0.005 0.000 2.599 623 L HA -0.031 4.309 4.340 -0.000 0.000 0.230 623 L C 1.841 178.712 176.870 0.002 0.000 1.141 623 L CA 0.448 55.290 54.840 0.003 0.000 0.877 623 L CB -0.075 41.985 42.059 0.003 0.000 1.009 623 L HN 0.095 nan 8.230 nan 0.000 0.447 624 E N 0.241 120.443 120.200 0.004 0.000 2.216 624 E HA 0.014 4.364 4.350 -0.000 0.000 0.192 624 E C 2.297 178.899 176.600 0.003 0.000 0.973 624 E CA 0.726 57.127 56.400 0.003 0.000 0.851 624 E CB 0.119 29.822 29.700 0.005 0.000 0.804 624 E HN 0.434 nan 8.360 nan 0.000 0.477 625 A N 1.367 124.189 122.820 0.004 0.000 1.929 625 A HA 0.038 4.358 4.320 -0.000 0.000 0.216 625 A C 2.301 179.887 177.584 0.003 0.000 1.176 625 A CA 1.282 53.321 52.037 0.004 0.000 0.628 625 A CB -0.350 18.653 19.000 0.004 0.000 0.816 625 A HN 0.242 nan 8.150 nan 0.000 0.444 626 A N -1.380 121.442 122.820 0.003 0.000 2.121 626 A HA 0.355 4.675 4.320 -0.000 0.000 0.218 626 A C 1.773 179.358 177.584 0.002 0.000 1.154 626 A CA 1.370 53.408 52.037 0.003 0.000 0.679 626 A CB -0.995 18.007 19.000 0.003 0.000 0.795 626 A HN 1.941 nan 8.150 nan 0.000 0.458 627 G N -0.584 108.217 108.800 0.002 0.000 2.204 627 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.244 627 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.244 627 G C -0.200 174.701 174.900 0.002 0.000 1.062 627 G CA 0.159 45.260 45.100 0.002 0.000 0.798 627 G HN 0.420 nan 8.290 nan 0.000 0.496 628 K N 1.162 121.562 120.400 0.000 0.000 2.156 628 K HA 0.391 4.711 4.320 -0.000 0.000 0.271 628 K C 0.382 176.977 176.600 -0.008 0.000 0.995 628 K CA -0.548 55.740 56.287 0.001 0.000 0.890 628 K CB 1.642 34.142 32.500 0.001 0.000 1.073 628 K HN 0.508 nan 8.250 nan 0.000 0.454 629 D N 1.240 121.637 120.400 -0.005 0.000 2.360 629 D HA -0.017 4.623 4.640 -0.000 0.000 0.242 629 D C 1.014 177.258 176.300 -0.093 0.000 1.184 629 D CA -0.374 53.603 54.000 -0.039 0.000 0.930 629 D CB 0.592 41.395 40.800 0.006 0.000 1.161 629 D HN 0.511 nan 8.370 nan 0.000 0.447 630 R N 0.115 120.492 120.500 -0.204 0.000 2.200 630 R HA -0.189 4.151 4.340 -0.000 0.000 0.234 630 R C 1.203 177.372 176.300 -0.219 0.000 1.127 630 R CA 1.090 57.057 56.100 -0.221 0.000 0.989 630 R CB -0.733 29.416 30.300 -0.252 0.000 0.869 630 R HN 0.507 nan 8.270 nan 0.000 0.459 631 H N 0.815 119.875 119.070 -0.017 0.000 2.436 631 H HA 0.182 4.738 4.556 -0.000 0.000 0.294 631 H C 2.245 177.539 175.328 -0.057 0.000 1.048 631 H CA 1.206 57.229 56.048 -0.041 0.000 1.353 631 H CB -0.086 29.654 29.762 -0.036 0.000 1.414 631 H HN 0.409 nan 8.280 nan 0.000 0.536 632 A N 1.455 124.314 122.820 0.066 0.000 1.898 632 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 632 A C 2.557 180.138 177.584 -0.004 0.000 1.181 632 A CA 1.022 53.072 52.037 0.022 0.000 0.620 632 A CB -0.649 18.363 19.000 0.019 0.000 0.819 632 A HN 0.261 nan 8.150 nan 0.000 0.442 633 I N -0.969 119.595 120.570 -0.010 0.000 2.286 633 I HA -0.218 3.952 4.170 -0.000 0.000 0.245 633 I C 2.698 178.808 176.117 -0.012 0.000 1.104 633 I CA 1.293 62.587 61.300 -0.008 0.000 1.397 633 I CB -0.502 37.494 38.000 -0.006 0.000 1.072 633 I HN 0.343 nan 8.210 nan 0.000 0.417 634 Q N 1.607 121.394 119.800 -0.022 0.000 2.045 634 Q HA -0.274 4.066 4.340 -0.000 0.000 0.206 634 Q C 2.062 178.015 176.000 -0.079 0.000 0.991 634 Q CA 1.898 57.676 55.803 -0.041 0.000 0.851 634 Q CB -0.309 28.395 28.738 -0.057 0.000 0.911 634 Q HN 0.402 nan 8.270 nan 0.000 0.418 635 E N 0.080 120.224 120.200 -0.095 0.000 2.171 635 E HA -0.181 4.168 4.350 -0.000 0.000 0.197 635 E C 1.691 178.249 176.600 -0.068 0.000 0.997 635 E CA 1.180 57.511 56.400 -0.114 0.000 0.810 635 E CB -0.234 29.414 29.700 -0.086 0.000 0.738 635 E HN 0.441 nan 8.360 nan 0.000 0.467 636 A N 0.750 123.548 122.820 -0.037 0.000 1.826 636 A HA -0.109 4.211 4.320 -0.000 0.000 0.214 636 A C 2.422 180.002 177.584 -0.007 0.000 1.212 636 A CA 1.168 53.194 52.037 -0.017 0.000 0.605 636 A CB -0.961 18.036 19.000 -0.006 0.000 0.861 636 A HN 0.211 nan 8.150 nan 0.000 0.447 637 L N -1.785 119.442 121.223 0.008 0.000 2.034 637 L HA -0.125 4.215 4.340 -0.000 0.000 0.217 637 L C 1.415 178.304 176.870 0.031 0.000 1.077 637 L CA 1.715 56.574 54.840 0.032 0.000 0.769 637 L CB -0.365 41.731 42.059 0.061 0.000 0.890 637 L HN 0.658 nan 8.230 nan 0.000 0.435 638 M N -0.289 119.316 119.600 0.008 0.000 2.331 638 M HA 0.325 4.805 4.480 -0.000 0.000 0.249 638 M C -3.045 173.223 176.300 -0.054 0.000 1.010 638 M CA -1.321 53.983 55.300 0.006 0.000 0.939 638 M CB 2.413 35.050 32.600 0.062 0.000 2.126 638 M HN -0.323 nan 8.290 nan 0.000 0.472 639 P HA 0.406 nan 4.420 nan 0.000 0.288 639 P C -1.959 175.309 177.300 -0.054 0.000 1.267 639 P CA -0.050 62.959 63.100 -0.151 0.000 0.815 639 P CB 0.739 32.374 31.700 -0.108 0.000 0.989 640 Y N -0.998 119.285 120.300 -0.029 0.000 2.524 640 Y HA 0.794 5.344 4.550 -0.000 0.000 0.344 640 Y C -0.212 175.719 175.900 0.051 0.000 1.012 640 Y CA -2.190 55.904 58.100 -0.010 0.000 1.068 640 Y CB 0.732 39.173 38.460 -0.031 0.000 1.249 640 Y HN 0.219 nan 8.280 nan 0.000 0.468 641 E N 1.897 122.343 120.200 0.410 0.000 2.204 641 E HA 0.690 5.040 4.350 -0.000 0.000 0.276 641 E C -1.643 175.260 176.600 0.504 0.000 0.974 641 E CA -0.418 56.237 56.400 0.425 0.000 0.815 641 E CB 1.063 31.010 29.700 0.412 0.000 1.119 641 E HN 0.801 nan 8.360 nan 0.000 0.393 642 L N 4.083 125.558 121.223 0.419 0.000 2.359 642 L HA 0.611 4.951 4.340 -0.000 0.000 0.256 642 L C -2.201 174.865 176.870 0.326 0.000 1.026 642 L CA -2.356 52.692 54.840 0.346 0.000 0.828 642 L CB 2.202 44.426 42.059 0.275 0.000 1.406 642 L HN 0.516 nan 8.230 nan 0.000 0.413 643 P HA 0.237 nan 4.420 nan 0.000 0.276 643 P C -0.010 177.361 177.300 0.117 0.000 1.244 643 P CA -0.283 62.947 63.100 0.217 0.000 0.801 643 P CB 1.014 32.763 31.700 0.082 0.000 1.006 644 A N 2.378 125.238 122.820 0.066 0.000 1.849 644 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 644 A C 1.767 179.292 177.584 -0.098 0.000 1.202 644 A CA 1.996 54.034 52.037 0.001 0.000 0.629 644 A CB -1.385 17.613 19.000 -0.005 0.000 0.834 644 A HN 0.594 nan 8.150 nan 0.000 0.447 645 K N -1.436 118.809 120.400 -0.259 0.000 2.144 645 K HA -0.215 4.105 4.320 -0.000 0.000 0.209 645 K C 0.634 176.942 176.600 -0.487 0.000 1.047 645 K CA 1.961 57.955 56.287 -0.488 0.000 0.927 645 K CB -0.430 31.546 32.500 -0.873 0.000 0.716 645 K HN 0.760 nan 8.250 nan 0.000 0.454 646 Y N 0.334 120.638 120.300 0.007 0.000 2.756 646 Y HA 0.205 4.755 4.550 -0.000 0.000 0.300 646 Y C 1.382 177.292 175.900 0.017 0.000 1.113 646 Y CA -0.689 57.410 58.100 -0.002 0.000 1.291 646 Y CB 0.398 38.849 38.460 -0.016 0.000 1.175 646 Y HN -0.092 nan 8.280 nan 0.000 0.534 647 K N 1.182 121.639 120.400 0.095 0.000 2.029 647 K HA 0.151 4.471 4.320 -0.000 0.000 0.205 647 K C 1.263 177.896 176.600 0.055 0.000 1.042 647 K CA 0.599 56.938 56.287 0.088 0.000 0.949 647 K CB -0.415 32.119 32.500 0.057 0.000 0.740 647 K HN 0.288 nan 8.250 nan 0.000 0.442 648 A N 2.750 125.584 122.820 0.023 0.000 2.632 648 A HA -0.129 4.191 4.320 -0.000 0.000 0.229 648 A C 0.086 177.664 177.584 -0.010 0.000 1.047 648 A CA 0.585 52.620 52.037 -0.004 0.000 0.754 648 A CB -0.064 18.931 19.000 -0.008 0.000 0.969 648 A HN 0.257 nan 8.150 nan 0.000 0.509 649 R N 1.537 122.007 120.500 -0.050 0.000 2.490 649 R HA 0.148 4.488 4.340 -0.000 0.000 0.278 649 R C -0.552 175.726 176.300 -0.037 0.000 1.069 649 R CA -0.674 55.386 56.100 -0.067 0.000 1.080 649 R CB 0.430 30.627 30.300 -0.172 0.000 1.030 649 R HN 0.780 nan 8.270 nan 0.000 0.491 650 N N 3.078 121.764 118.700 -0.024 0.000 2.399 650 N HA -0.051 4.689 4.740 -0.000 0.000 0.259 650 N C -0.142 175.359 175.510 -0.014 0.000 1.160 650 N CA 0.161 53.197 53.050 -0.022 0.000 0.946 650 N CB 0.742 39.210 38.487 -0.032 0.000 1.156 650 N HN 0.545 nan 8.380 nan 0.000 0.489 651 E N 3.253 123.442 120.200 -0.017 0.000 2.415 651 E HA -0.014 4.336 4.350 -0.000 0.000 0.260 651 E C -0.367 176.227 176.600 -0.010 0.000 1.016 651 E CA 0.154 56.548 56.400 -0.010 0.000 0.924 651 E CB 0.633 30.325 29.700 -0.013 0.000 0.961 651 E HN 0.359 nan 8.360 nan 0.000 0.459 652 R N 2.695 123.196 120.500 0.003 0.000 2.797 652 R HA 0.327 4.667 4.340 -0.000 0.000 0.251 652 R C -0.457 175.849 176.300 0.010 0.000 1.107 652 R CA -1.116 54.985 56.100 0.001 0.000 1.084 652 R CB 0.661 30.968 30.300 0.010 0.000 1.205 652 R HN 0.438 nan 8.270 nan 0.000 0.515 653 L N 1.519 122.750 121.223 0.014 0.000 2.485 653 L HA 0.231 4.571 4.340 -0.000 0.000 0.279 653 L C -0.027 176.877 176.870 0.056 0.000 1.124 653 L CA 1.118 55.983 54.840 0.041 0.000 0.888 653 L CB 0.113 42.201 42.059 0.048 0.000 1.217 653 L HN 0.808 nan 8.230 nan 0.000 0.464 654 G N 3.707 112.530 108.800 0.040 0.000 2.858 654 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.266 654 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.266 654 G C -0.683 174.224 174.900 0.012 0.000 1.023 654 G CA -0.242 44.868 45.100 0.018 0.000 1.172 654 G HN 0.666 nan 8.290 nan 0.000 0.523 655 D N 0.000 120.403 120.400 0.005 0.000 6.856 655 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 655 D CA 0.000 54.006 54.000 0.009 0.000 0.868 655 D CB 0.000 40.810 40.800 0.017 0.000 0.688 655 D HN 0.000 nan 8.370 nan 0.000 0.683