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 1qlb_1_A 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 FRDGPHLEKS VKELEELYKK DATA SEQUENCE SKNVGIKNKR LHANPELEEA YRVPMMLKVA LCVAKGALDR TESRGAHNRE DATA SEQUENCE DYPKRDDINW LNRTLASWPN PEQTLPTLEY EALDVNEMEI APRYRGYGAK 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 0.000 176.299 176.300 -0.001 0.000 1.140 1 M CA 0.000 55.305 55.300 0.008 0.000 0.988 1 M CB 0.000 32.608 32.600 0.014 0.000 1.302 2 K N 3.040 123.439 120.400 -0.002 0.000 2.265 2 K HA 0.727 5.051 4.320 0.006 0.000 0.267 2 K C -1.514 175.060 176.600 -0.043 0.000 0.994 2 K CA -0.726 55.548 56.287 -0.022 0.000 0.860 2 K CB 2.138 34.628 32.500 -0.016 0.000 1.099 2 K HN 0.442 nan 8.250 nan 0.000 0.448 3 V N 3.173 123.048 119.914 -0.066 0.000 2.709 3 V HA 0.280 4.404 4.120 0.006 0.000 0.308 3 V C -0.725 175.278 176.094 -0.152 0.000 1.062 3 V CA -1.013 61.232 62.300 -0.091 0.000 0.901 3 V CB 1.915 33.720 31.823 -0.031 0.000 1.003 3 V HN 0.633 nan 8.190 nan 0.000 0.425 4 Q N 2.826 122.452 119.800 -0.289 0.000 2.333 4 Q HA 0.515 4.859 4.340 0.006 0.000 0.267 4 Q C -1.479 174.440 176.000 -0.135 0.000 1.012 4 Q CA -0.523 55.086 55.803 -0.324 0.000 0.824 4 Q CB 2.897 31.149 28.738 -0.809 0.000 1.290 4 Q HN 0.780 nan 8.270 nan 0.000 0.449 5 Y N 1.862 122.093 120.300 -0.114 0.000 2.468 5 Y HA 0.642 5.195 4.550 0.006 0.000 0.342 5 Y C -0.688 175.211 175.900 -0.001 0.000 1.021 5 Y CA -0.808 57.269 58.100 -0.038 0.000 1.079 5 Y CB 1.163 39.602 38.460 -0.034 0.000 1.226 5 Y HN 0.816 nan 8.280 nan 0.000 0.460 6 C N 2.941 121.654 119.300 -0.979 0.000 3.311 6 C HA 0.433 4.897 4.460 0.006 0.000 0.325 6 C C 0.220 174.694 174.990 -0.861 0.000 1.352 6 C CA -0.695 57.968 59.018 -0.591 0.000 1.308 6 C CB 1.498 29.131 27.740 -0.179 0.000 1.619 6 C HN 0.871 nan 8.230 nan 0.000 0.469 7 D N 1.019 121.211 120.400 -0.347 0.000 2.162 7 D HA 0.057 4.701 4.640 0.006 0.000 0.203 7 D C 0.430 176.604 176.300 -0.211 0.000 0.967 7 D CA 1.402 55.273 54.000 -0.214 0.000 0.840 7 D CB 0.201 40.960 40.800 -0.068 0.000 0.972 7 D HN 0.685 nan 8.370 nan 0.000 0.482 8 S N 0.478 116.077 115.700 -0.168 0.000 2.707 8 S HA 0.373 4.847 4.470 0.006 0.000 0.303 8 S C -0.417 174.229 174.600 0.076 0.000 1.132 8 S CA -0.661 57.471 58.200 -0.113 0.000 1.046 8 S CB 2.279 65.334 63.200 -0.242 0.000 1.004 8 S HN 0.087 nan 8.310 nan 0.000 0.483 9 L N 4.418 125.754 121.223 0.189 0.000 2.272 9 L HA 0.593 4.937 4.340 0.006 0.000 0.289 9 L C -1.195 175.766 176.870 0.152 0.000 1.032 9 L CA -0.545 54.378 54.840 0.138 0.000 0.810 9 L CB 1.042 43.163 42.059 0.102 0.000 1.205 9 L HN 0.408 nan 8.230 nan 0.000 0.422 10 V N 6.567 126.520 119.914 0.064 0.000 2.417 10 V HA 0.395 4.519 4.120 0.006 0.000 0.291 10 V C 0.192 176.250 176.094 -0.060 0.000 1.024 10 V CA -0.438 61.853 62.300 -0.016 0.000 0.861 10 V CB 1.927 33.747 31.823 -0.004 0.000 0.985 10 V HN 0.551 nan 8.190 nan 0.000 0.436 11 I N 4.693 125.211 120.570 -0.086 0.000 2.330 11 I HA 0.726 4.900 4.170 0.006 0.000 0.286 11 I C 0.598 176.665 176.117 -0.082 0.000 1.025 11 I CA -0.056 61.188 61.300 -0.092 0.000 1.197 11 I CB 1.245 39.191 38.000 -0.090 0.000 1.358 11 I HN 0.863 nan 8.210 nan 0.000 0.467 12 G N 3.419 112.176 108.800 -0.072 0.000 3.239 12 G HA2 0.080 4.044 3.960 0.006 0.000 0.666 12 G HA3 0.080 4.044 3.960 0.006 0.000 0.666 12 G C -0.120 174.752 174.900 -0.048 0.000 1.313 12 G CA -0.546 44.521 45.100 -0.056 0.000 1.001 12 G HN 0.845 nan 8.290 nan 0.000 0.573 13 G N 0.496 109.273 108.800 -0.038 0.000 3.959 13 G HA2 0.656 4.620 3.960 0.006 0.000 0.298 13 G HA3 0.656 4.620 3.960 0.006 0.000 0.298 13 G C 0.832 175.718 174.900 -0.023 0.000 1.211 13 G CA 0.912 45.991 45.100 -0.035 0.000 1.001 13 G HN 1.198 nan 8.290 nan 0.000 0.561 14 G N -0.465 108.328 108.800 -0.012 0.000 2.543 14 G HA2 0.382 4.346 3.960 0.006 0.000 0.267 14 G HA3 0.382 4.346 3.960 0.006 0.000 0.267 14 G C 1.136 176.044 174.900 0.013 0.000 1.406 14 G CA -0.754 44.350 45.100 0.007 0.000 1.048 14 G HN 0.141 nan 8.290 nan 0.000 0.548 15 L N -0.031 121.211 121.223 0.032 0.000 2.042 15 L HA -0.135 4.209 4.340 0.006 0.000 0.210 15 L C 3.304 180.198 176.870 0.041 0.000 1.076 15 L CA 1.604 56.473 54.840 0.049 0.000 0.749 15 L CB -0.398 41.703 42.059 0.069 0.000 0.893 15 L HN 0.579 nan 8.230 nan 0.000 0.432 16 A N 0.034 122.865 122.820 0.019 0.000 1.873 16 A HA -0.075 4.248 4.320 0.006 0.000 0.215 16 A C 2.402 179.968 177.584 -0.030 0.000 1.186 16 A CA 1.556 53.586 52.037 -0.012 0.000 0.616 16 A CB -1.249 17.728 19.000 -0.038 0.000 0.823 16 A HN 0.422 nan 8.150 nan 0.000 0.442 17 G N -0.099 108.680 108.800 -0.035 0.000 2.421 17 G HA2 -0.160 3.804 3.960 0.006 0.000 0.216 17 G HA3 -0.160 3.804 3.960 0.006 0.000 0.216 17 G C 1.559 176.448 174.900 -0.018 0.000 1.171 17 G CA 1.078 46.150 45.100 -0.046 0.000 0.775 17 G HN 0.417 nan 8.290 nan 0.000 0.543 18 L N -0.305 120.917 121.223 -0.003 0.000 2.093 18 L HA 0.023 4.367 4.340 0.006 0.000 0.208 18 L C 2.877 179.773 176.870 0.043 0.000 1.085 18 L CA 1.041 55.885 54.840 0.008 0.000 0.755 18 L CB -0.286 41.772 42.059 -0.001 0.000 0.904 18 L HN 0.133 nan 8.230 nan 0.000 0.435 19 R N 0.785 121.327 120.500 0.069 0.000 2.115 19 R HA -0.064 4.280 4.340 0.006 0.000 0.230 19 R C 2.140 178.500 176.300 0.101 0.000 1.111 19 R CA 1.467 57.639 56.100 0.121 0.000 0.976 19 R CB -0.488 29.886 30.300 0.123 0.000 0.870 19 R HN 0.298 nan 8.270 nan 0.000 0.445 20 A N -0.018 122.835 122.820 0.054 0.000 1.929 20 A HA 0.081 4.404 4.320 0.006 0.000 0.216 20 A C 2.284 179.933 177.584 0.109 0.000 1.176 20 A CA 1.354 53.429 52.037 0.063 0.000 0.628 20 A CB -0.795 18.191 19.000 -0.024 0.000 0.816 20 A HN 0.422 nan 8.150 nan 0.000 0.444 21 A N -0.530 122.336 122.820 0.076 0.000 1.969 21 A HA 0.047 4.371 4.320 0.006 0.000 0.218 21 A C 2.177 179.794 177.584 0.056 0.000 1.169 21 A CA 1.626 53.706 52.037 0.072 0.000 0.635 21 A CB -0.725 18.294 19.000 0.033 0.000 0.810 21 A HN 0.328 nan 8.150 nan 0.000 0.445 22 V N -0.201 119.750 119.914 0.062 0.000 2.307 22 V HA -0.233 3.890 4.120 0.006 0.000 0.245 22 V C 3.066 179.212 176.094 0.087 0.000 1.045 22 V CA 1.862 64.197 62.300 0.059 0.000 1.024 22 V CB -1.151 30.733 31.823 0.102 0.000 0.651 22 V HN 0.607 nan 8.190 nan 0.000 0.449 23 A N 0.726 123.617 122.820 0.118 0.000 1.908 23 A HA -0.259 4.065 4.320 0.006 0.000 0.218 23 A C 2.489 180.108 177.584 0.059 0.000 1.181 23 A CA 2.815 54.918 52.037 0.110 0.000 0.627 23 A CB -0.968 18.110 19.000 0.129 0.000 0.818 23 A HN 0.654 nan 8.150 nan 0.000 0.445 24 T N -3.154 111.432 114.554 0.052 0.000 2.851 24 T HA -0.111 4.243 4.350 0.006 0.000 0.262 24 T C 1.953 176.644 174.700 -0.016 0.000 1.043 24 T CA 1.465 63.559 62.100 -0.010 0.000 1.140 24 T CB -0.327 68.517 68.868 -0.040 0.000 0.872 24 T HN 0.350 nan 8.240 nan 0.000 0.446 25 Q N 2.061 121.863 119.800 0.003 0.000 2.124 25 Q HA -0.125 4.219 4.340 0.006 0.000 0.202 25 Q C 2.381 178.378 176.000 -0.006 0.000 0.977 25 Q CA 1.816 57.616 55.803 -0.006 0.000 0.850 25 Q CB -0.579 28.155 28.738 -0.007 0.000 0.901 25 Q HN 0.884 nan 8.270 nan 0.000 0.429 26 Q N 0.072 119.876 119.800 0.007 0.000 2.437 26 Q HA -0.139 4.205 4.340 0.006 0.000 0.210 26 Q C 0.363 176.365 176.000 0.002 0.000 0.972 26 Q CA 1.274 57.083 55.803 0.010 0.000 0.903 26 Q CB -0.160 28.601 28.738 0.037 0.000 0.967 26 Q HN 0.352 nan 8.270 nan 0.000 0.486 27 K N -0.454 119.942 120.400 -0.007 0.000 2.498 27 K HA 0.380 4.704 4.320 0.006 0.000 0.207 27 K C 0.621 177.208 176.600 -0.021 0.000 1.033 27 K CA 0.135 56.412 56.287 -0.017 0.000 1.138 27 K CB 0.770 33.255 32.500 -0.026 0.000 0.860 27 K HN 0.249 nan 8.250 nan 0.000 0.490 28 G N 1.578 110.368 108.800 -0.017 0.000 2.184 28 G HA2 -0.285 3.678 3.960 0.006 0.000 0.264 28 G HA3 -0.285 3.678 3.960 0.006 0.000 0.264 28 G C 0.027 174.916 174.900 -0.018 0.000 0.975 28 G CA -0.066 45.025 45.100 -0.015 0.000 0.642 28 G HN 0.299 nan 8.290 nan 0.000 0.536 29 L N 2.356 123.560 121.223 -0.032 0.000 2.361 29 L HA 0.437 4.780 4.340 0.006 0.000 0.278 29 L C 1.335 178.187 176.870 -0.029 0.000 1.113 29 L CA 0.049 54.863 54.840 -0.043 0.000 0.849 29 L CB 1.209 43.212 42.059 -0.093 0.000 1.155 29 L HN 0.409 nan 8.230 nan 0.000 0.452 30 S N 1.607 117.301 115.700 -0.009 0.000 2.516 30 S HA 0.288 4.761 4.470 0.006 0.000 0.282 30 S C 0.072 174.657 174.600 -0.024 0.000 1.286 30 S CA -0.622 57.578 58.200 0.000 0.000 1.066 30 S CB 0.892 64.114 63.200 0.038 0.000 0.884 30 S HN 0.709 nan 8.310 nan 0.000 0.491 31 T N 1.989 116.538 114.554 -0.009 0.000 2.893 31 T HA 0.672 5.025 4.350 0.006 0.000 0.293 31 T C -0.723 173.988 174.700 0.019 0.000 1.027 31 T CA -0.965 61.136 62.100 0.002 0.000 0.988 31 T CB 0.656 69.536 68.868 0.019 0.000 1.043 31 T HN 0.661 nan 8.240 nan 0.000 0.461 32 I N 3.175 123.765 120.570 0.034 0.000 2.474 32 I HA 0.553 4.726 4.170 0.006 0.000 0.294 32 I C -0.675 175.453 176.117 0.018 0.000 1.005 32 I CA -1.308 60.019 61.300 0.045 0.000 1.113 32 I CB 2.365 40.430 38.000 0.109 0.000 1.289 32 I HN 0.424 nan 8.210 nan 0.000 0.436 33 V N 7.076 126.987 119.914 -0.005 0.000 2.384 33 V HA 0.419 4.543 4.120 0.006 0.000 0.287 33 V C -0.026 176.029 176.094 -0.065 0.000 1.020 33 V CA -0.498 61.783 62.300 -0.032 0.000 0.850 33 V CB 1.660 33.465 31.823 -0.029 0.000 0.987 33 V HN 0.459 nan 8.190 nan 0.000 0.436 34 L N 4.035 125.195 121.223 -0.104 0.000 2.322 34 L HA 0.755 5.099 4.340 0.006 0.000 0.279 34 L C 0.121 176.932 176.870 -0.098 0.000 1.036 34 L CA 0.011 54.763 54.840 -0.146 0.000 0.807 34 L CB 1.864 43.775 42.059 -0.246 0.000 1.226 34 L HN 0.689 nan 8.230 nan 0.000 0.433 35 S N 1.219 116.871 115.700 -0.080 0.000 2.533 35 S HA 0.441 4.914 4.470 0.006 0.000 0.271 35 S C 0.538 175.116 174.600 -0.037 0.000 1.143 35 S CA -0.681 57.487 58.200 -0.053 0.000 0.891 35 S CB 1.407 64.581 63.200 -0.044 0.000 1.105 35 S HN 0.592 nan 8.310 nan 0.000 0.468 36 L N 3.371 124.580 121.223 -0.024 0.000 2.093 36 L HA 0.159 4.503 4.340 0.006 0.000 0.208 36 L C 0.884 177.751 176.870 -0.004 0.000 1.085 36 L CA 1.108 55.944 54.840 -0.007 0.000 0.755 36 L CB -0.454 41.605 42.059 0.000 0.000 0.904 36 L HN 0.661 nan 8.230 nan 0.000 0.435 37 I N -5.669 114.896 120.570 -0.008 0.000 3.145 37 I HA 0.515 4.688 4.170 0.006 0.000 0.313 37 I C -2.721 173.386 176.117 -0.017 0.000 1.122 37 I CA -2.813 58.483 61.300 -0.006 0.000 0.987 37 I CB 1.450 39.453 38.000 0.003 0.000 1.236 37 I HN -0.358 nan 8.210 nan 0.000 0.453 38 P HA -0.016 nan 4.420 nan 0.000 0.264 38 P C 1.184 178.454 177.300 -0.050 0.000 1.193 38 P CA -0.179 62.897 63.100 -0.040 0.000 0.763 38 P CB 0.725 32.401 31.700 -0.040 0.000 0.810 39 V N 2.352 122.224 119.914 -0.071 0.000 2.469 39 V HA -0.268 3.856 4.120 0.006 0.000 0.251 39 V C 1.481 177.524 176.094 -0.085 0.000 1.064 39 V CA 1.608 63.865 62.300 -0.072 0.000 1.066 39 V CB -1.248 30.526 31.823 -0.082 0.000 0.667 39 V HN 0.385 nan 8.190 nan 0.000 0.461 40 K N 0.075 120.381 120.400 -0.156 0.000 2.555 40 K HA 0.135 4.459 4.320 0.006 0.000 0.193 40 K C 1.838 178.457 176.600 0.031 0.000 1.032 40 K CA 0.519 56.690 56.287 -0.193 0.000 1.004 40 K CB -0.089 32.020 32.500 -0.652 0.000 0.804 40 K HN 0.551 nan 8.250 nan 0.000 0.496 41 R N -0.303 120.214 120.500 0.027 0.000 2.432 41 R HA 0.181 4.525 4.340 0.006 0.000 0.260 41 R C -0.046 176.294 176.300 0.067 0.000 0.935 41 R CA -0.133 56.010 56.100 0.072 0.000 1.080 41 R CB 0.776 31.106 30.300 0.051 0.000 1.155 41 R HN -0.040 nan 8.270 nan 0.000 0.531 42 S N 0.635 116.365 115.700 0.051 0.000 2.569 42 S HA -0.081 4.392 4.470 0.006 0.000 0.274 42 S C 0.990 175.645 174.600 0.091 0.000 1.353 42 S CA -0.196 58.040 58.200 0.061 0.000 1.023 42 S CB 0.613 63.837 63.200 0.038 0.000 0.876 42 S HN 0.364 nan 8.310 nan 0.000 0.540 43 H N 1.594 120.666 119.070 0.003 0.000 2.489 43 H HA -0.052 4.508 4.556 0.006 0.000 0.295 43 H C 1.963 177.298 175.328 0.013 0.000 1.082 43 H CA 1.913 57.960 56.048 -0.002 0.000 1.295 43 H CB -0.300 29.445 29.762 -0.030 0.000 1.380 43 H HN 0.470 nan 8.280 nan 0.000 0.548 44 S N -0.431 115.263 115.700 -0.011 0.000 2.400 44 S HA -0.190 4.283 4.470 0.006 0.000 0.232 44 S C 2.285 176.851 174.600 -0.056 0.000 1.025 44 S CA 0.816 58.995 58.200 -0.035 0.000 0.993 44 S CB -0.457 62.759 63.200 0.027 0.000 0.808 44 S HN 0.684 nan 8.310 nan 0.000 0.478 45 A N 0.746 123.555 122.820 -0.018 0.000 2.121 45 A HA 0.242 4.566 4.320 0.006 0.000 0.218 45 A C 2.078 179.648 177.584 -0.024 0.000 1.154 45 A CA 1.303 53.363 52.037 0.038 0.000 0.679 45 A CB -0.542 18.540 19.000 0.135 0.000 0.795 45 A HN 0.500 nan 8.150 nan 0.000 0.458 46 A N -0.524 122.200 122.820 -0.160 0.000 2.169 46 A HA 0.559 4.882 4.320 0.006 0.000 0.212 46 A C 1.355 178.849 177.584 -0.150 0.000 1.153 46 A CA 0.598 52.524 52.037 -0.186 0.000 0.756 46 A CB -0.667 18.138 19.000 -0.326 0.000 0.813 46 A HN 0.975 nan 8.150 nan 0.000 0.471 47 A N 0.047 122.789 122.820 -0.129 0.000 2.515 47 A HA 0.323 4.647 4.320 0.006 0.000 0.263 47 A C 0.687 178.231 177.584 -0.067 0.000 1.096 47 A CA 0.236 52.228 52.037 -0.074 0.000 0.769 47 A CB -0.057 18.920 19.000 -0.038 0.000 1.040 47 A HN 0.583 nan 8.150 nan 0.000 0.505 48 Q N 2.203 121.950 119.800 -0.088 0.000 2.245 48 Q HA 0.104 4.447 4.340 0.006 0.000 0.236 48 Q C 1.919 177.785 176.000 -0.224 0.000 0.842 48 Q CA 0.516 56.252 55.803 -0.112 0.000 0.945 48 Q CB 0.685 29.369 28.738 -0.091 0.000 1.122 48 Q HN 0.894 nan 8.270 nan 0.000 0.506 49 G N 0.897 109.482 108.800 -0.358 0.000 2.404 49 G HA2 0.271 4.235 3.960 0.006 0.000 0.214 49 G HA3 0.271 4.235 3.960 0.006 0.000 0.214 49 G C 0.645 175.039 174.900 -0.843 0.000 1.189 49 G CA 0.742 45.267 45.100 -0.958 0.000 0.789 49 G HN 0.470 nan 8.290 nan 0.000 0.533 50 G N -1.540 106.999 108.800 -0.435 0.000 2.359 50 G HA2 0.296 4.260 3.960 0.006 0.000 0.303 50 G HA3 0.296 4.260 3.960 0.006 0.000 0.303 50 G C -1.097 173.815 174.900 0.020 0.000 1.293 50 G CA -0.162 44.868 45.100 -0.116 0.000 0.964 50 G HN 0.574 nan 8.290 nan 0.000 0.531 51 M N 0.527 120.214 119.600 0.145 0.000 2.311 51 M HA 0.663 5.146 4.480 0.006 0.000 0.325 51 M C -0.202 176.167 176.300 0.115 0.000 1.061 51 M CA -0.792 54.608 55.300 0.166 0.000 0.957 51 M CB 1.883 34.625 32.600 0.238 0.000 1.646 51 M HN 0.696 nan 8.290 nan 0.000 0.434 52 Q N 3.359 123.257 119.800 0.164 0.000 2.295 52 Q HA 0.688 5.032 4.340 0.006 0.000 0.259 52 Q C -1.715 174.324 176.000 0.065 0.000 0.976 52 Q CA -0.051 55.815 55.803 0.105 0.000 0.923 52 Q CB 1.129 29.991 28.738 0.207 0.000 1.185 52 Q HN 0.718 nan 8.270 nan 0.000 0.410 53 A N 2.817 125.571 122.820 -0.110 0.000 2.532 53 A HA 0.405 4.728 4.320 0.006 0.000 0.296 53 A C -0.703 176.785 177.584 -0.161 0.000 1.058 53 A CA -0.552 51.414 52.037 -0.117 0.000 0.729 53 A CB 1.176 20.100 19.000 -0.127 0.000 1.285 53 A HN 0.802 nan 8.150 nan 0.000 0.396 54 S N 2.812 118.443 115.700 -0.116 0.000 4.120 54 S HA 0.275 4.749 4.470 0.006 0.000 0.215 54 S C 0.924 175.494 174.600 -0.050 0.000 1.347 54 S CA -0.385 57.769 58.200 -0.076 0.000 0.889 54 S CB -0.900 62.300 63.200 -0.001 0.000 1.585 54 S HN 0.592 nan 8.310 nan 0.000 0.447 55 L N 1.562 122.743 121.223 -0.070 0.000 2.072 55 L HA 0.174 4.518 4.340 0.006 0.000 0.205 55 L C 2.136 178.988 176.870 -0.031 0.000 1.079 55 L CA 0.745 55.545 54.840 -0.066 0.000 0.752 55 L CB -1.102 40.895 42.059 -0.103 0.000 0.906 55 L HN 0.815 nan 8.230 nan 0.000 0.436 56 G N 0.112 108.903 108.800 -0.015 0.000 2.147 56 G HA2 -0.319 3.645 3.960 0.006 0.000 0.244 56 G HA3 -0.319 3.645 3.960 0.006 0.000 0.244 56 G C 0.485 175.393 174.900 0.013 0.000 1.005 56 G CA 0.729 45.831 45.100 0.004 0.000 0.713 56 G HN 0.480 nan 8.290 nan 0.000 0.515 57 N N 0.060 118.760 118.700 0.002 0.000 2.132 57 N HA 0.072 4.816 4.740 0.006 0.000 0.187 57 N C 1.853 177.355 175.510 -0.014 0.000 1.038 57 N CA 0.957 54.005 53.050 -0.004 0.000 0.846 57 N CB -0.069 38.395 38.487 -0.038 0.000 1.012 57 N HN 0.647 nan 8.380 nan 0.000 0.429 58 S N 0.736 116.433 115.700 -0.005 0.000 2.614 58 S HA 0.128 4.601 4.470 0.006 0.000 0.265 58 S C 1.057 175.635 174.600 -0.036 0.000 1.303 58 S CA -0.580 57.604 58.200 -0.027 0.000 1.000 58 S CB 1.722 64.998 63.200 0.126 0.000 0.935 58 S HN 0.076 nan 8.310 nan 0.000 0.551 59 K N 0.685 121.036 120.400 -0.083 0.000 2.044 59 K HA -0.049 4.274 4.320 0.006 0.000 0.210 59 K C 1.712 178.214 176.600 -0.162 0.000 1.049 59 K CA 2.057 58.277 56.287 -0.111 0.000 0.927 59 K CB -0.543 31.873 32.500 -0.140 0.000 0.713 59 K HN 0.672 nan 8.250 nan 0.000 0.443 60 M N 0.590 120.037 119.600 -0.254 0.000 2.659 60 M HA 0.047 4.530 4.480 0.006 0.000 0.243 60 M C 0.997 177.164 176.300 -0.222 0.000 1.111 60 M CA 0.875 55.890 55.300 -0.476 0.000 1.070 60 M CB -0.389 31.502 32.600 -1.182 0.000 1.525 60 M HN 0.040 nan 8.290 nan 0.000 0.517 61 S N -1.015 114.650 115.700 -0.059 0.000 2.523 61 S HA 0.046 4.520 4.470 0.006 0.000 0.217 61 S C 0.337 174.934 174.600 -0.004 0.000 0.996 61 S CA -0.508 57.701 58.200 0.015 0.000 0.921 61 S CB 0.248 63.481 63.200 0.056 0.000 0.829 61 S HN 0.412 nan 8.310 nan 0.000 0.495 62 D N 1.567 121.953 120.400 -0.024 0.000 2.586 62 D HA 0.328 4.972 4.640 0.006 0.000 0.234 62 D C 1.253 177.550 176.300 -0.004 0.000 1.132 62 D CA 1.768 55.765 54.000 -0.005 0.000 0.860 62 D CB 0.011 40.806 40.800 -0.009 0.000 1.159 62 D HN 0.290 nan 8.370 nan 0.000 0.490 63 G N 3.062 111.865 108.800 0.006 0.000 2.176 63 G HA2 -0.292 3.672 3.960 0.006 0.000 0.253 63 G HA3 -0.292 3.672 3.960 0.006 0.000 0.253 63 G C 0.264 175.170 174.900 0.010 0.000 0.979 63 G CA 0.128 45.231 45.100 0.005 0.000 0.641 63 G HN 0.708 nan 8.290 nan 0.000 0.530 64 D N 1.076 121.483 120.400 0.012 0.000 2.372 64 D HA 0.532 5.176 4.640 0.006 0.000 0.243 64 D C 0.671 176.984 176.300 0.022 0.000 1.121 64 D CA 0.571 54.581 54.000 0.018 0.000 0.898 64 D CB 0.561 41.368 40.800 0.011 0.000 1.202 64 D HN 0.716 nan 8.370 nan 0.000 0.428 65 N N -0.037 118.685 118.700 0.037 0.000 3.277 65 N HA 0.190 4.934 4.740 0.006 0.000 0.278 65 N C 0.074 175.632 175.510 0.080 0.000 1.544 65 N CA -0.627 52.450 53.050 0.045 0.000 0.869 65 N CB 0.366 38.869 38.487 0.027 0.000 1.584 65 N HN 0.059 nan 8.380 nan 0.000 0.564 66 E N -0.246 119.999 120.200 0.075 0.000 2.085 66 E HA -0.149 4.204 4.350 0.006 0.000 0.194 66 E C 0.472 177.143 176.600 0.119 0.000 0.994 66 E CA 1.781 58.234 56.400 0.088 0.000 0.801 66 E CB -0.250 29.478 29.700 0.047 0.000 0.743 66 E HN 0.530 nan 8.360 nan 0.000 0.453 67 D N 0.299 120.748 120.400 0.083 0.000 2.104 67 D HA -0.151 4.493 4.640 0.006 0.000 0.194 67 D C 2.065 178.475 176.300 0.184 0.000 0.994 67 D CA 0.903 54.977 54.000 0.123 0.000 0.830 67 D CB -0.283 40.551 40.800 0.057 0.000 0.959 67 D HN 0.196 nan 8.370 nan 0.000 0.452 68 L N 0.008 121.312 121.223 0.135 0.000 2.046 68 L HA -0.171 4.173 4.340 0.006 0.000 0.208 68 L C 2.555 179.531 176.870 0.176 0.000 1.077 68 L CA 1.147 56.061 54.840 0.124 0.000 0.747 68 L CB -0.580 41.529 42.059 0.085 0.000 0.896 68 L HN 0.215 nan 8.230 nan 0.000 0.432 69 H N -0.775 118.343 119.070 0.081 0.000 2.389 69 H HA -0.228 4.331 4.556 0.006 0.000 0.299 69 H C 2.263 177.657 175.328 0.109 0.000 1.081 69 H CA 1.362 57.461 56.048 0.084 0.000 1.345 69 H CB 0.164 29.970 29.762 0.074 0.000 1.393 69 H HN 0.237 nan 8.280 nan 0.000 0.520 70 F N 1.142 121.111 119.950 0.031 0.000 2.102 70 F HA -0.256 4.274 4.527 0.006 0.000 0.298 70 F C 2.600 178.361 175.800 -0.065 0.000 1.105 70 F CA 1.878 59.833 58.000 -0.075 0.000 1.239 70 F CB -0.495 38.455 39.000 -0.083 0.000 0.991 70 F HN 0.164 nan 8.300 nan 0.000 0.474 71 M N 0.182 119.735 119.600 -0.079 0.000 2.080 71 M HA -0.236 4.248 4.480 0.006 0.000 0.260 71 M C 1.826 177.991 176.300 -0.226 0.000 1.068 71 M CA 2.321 57.503 55.300 -0.196 0.000 1.109 71 M CB -0.520 32.073 32.600 -0.013 0.000 1.342 71 M HN 0.048 nan 8.290 nan 0.000 0.405 72 D N -0.232 120.116 120.400 -0.088 0.000 2.123 72 D HA -0.150 4.493 4.640 0.006 0.000 0.196 72 D C 1.935 178.143 176.300 -0.152 0.000 0.992 72 D CA 2.054 56.008 54.000 -0.077 0.000 0.833 72 D CB -0.540 40.279 40.800 0.031 0.000 0.954 72 D HN 0.444 nan 8.370 nan 0.000 0.455 73 T N 0.770 115.226 114.554 -0.163 0.000 2.708 73 T HA -0.090 4.263 4.350 0.006 0.000 0.266 73 T C 2.316 176.791 174.700 -0.375 0.000 1.037 73 T CA 0.861 62.826 62.100 -0.225 0.000 1.146 73 T CB -0.354 68.380 68.868 -0.222 0.000 0.865 73 T HN -0.030 nan 8.240 nan 0.000 0.435 74 V N 1.760 121.323 119.914 -0.585 0.000 2.261 74 V HA -0.189 3.934 4.120 0.006 0.000 0.246 74 V C 2.433 178.000 176.094 -0.878 0.000 1.047 74 V CA 1.640 63.492 62.300 -0.746 0.000 1.015 74 V CB -0.527 30.729 31.823 -0.945 0.000 0.642 74 V HN 0.494 nan 8.190 nan 0.000 0.446 75 K N 0.436 120.353 120.400 -0.805 0.000 2.097 75 K HA -0.093 4.231 4.320 0.006 0.000 0.206 75 K C 2.270 178.637 176.600 -0.388 0.000 1.049 75 K CA 1.435 57.226 56.287 -0.827 0.000 0.933 75 K CB -0.660 31.584 32.500 -0.428 0.000 0.717 75 K HN 0.549 nan 8.250 nan 0.000 0.442 76 G N 1.637 110.285 108.800 -0.253 0.000 2.418 76 G HA2 -0.284 3.679 3.960 0.006 0.000 0.217 76 G HA3 -0.284 3.679 3.960 0.006 0.000 0.217 76 G C 1.533 176.404 174.900 -0.048 0.000 1.158 76 G CA 1.137 46.166 45.100 -0.118 0.000 0.771 76 G HN 0.423 nan 8.290 nan 0.000 0.545 77 S N 0.041 115.651 115.700 -0.149 0.000 2.595 77 S HA -0.032 4.442 4.470 0.006 0.000 0.235 77 S C 1.083 175.707 174.600 0.040 0.000 0.974 77 S CA 1.136 59.308 58.200 -0.045 0.000 0.942 77 S CB -0.169 62.962 63.200 -0.115 0.000 0.766 77 S HN 0.334 nan 8.310 nan 0.000 0.536 78 D N 0.382 120.756 120.400 -0.043 0.000 2.772 78 D HA -0.204 4.440 4.640 0.006 0.000 0.233 78 D C -0.354 176.113 176.300 0.278 0.000 1.143 78 D CA 1.063 55.137 54.000 0.123 0.000 0.700 78 D CB -2.008 38.905 40.800 0.188 0.000 1.076 78 D HN 0.696 nan 8.370 nan 0.000 0.430 79 W N -2.784 118.510 121.300 -0.009 0.000 3.834 79 W HA -0.265 4.399 4.660 0.006 0.000 0.320 79 W C 1.457 178.010 176.519 0.057 0.000 1.201 79 W CA 0.688 58.025 57.345 -0.013 0.000 0.701 79 W CB -1.972 27.454 29.460 -0.056 0.000 2.264 79 W HN 0.426 nan 8.180 nan 0.000 1.413 80 G N -0.300 108.641 108.800 0.235 0.000 2.986 80 G HA2 0.163 4.126 3.960 0.006 0.000 0.213 80 G HA3 0.163 4.126 3.960 0.006 0.000 0.213 80 G C 0.678 175.703 174.900 0.208 0.000 1.156 80 G CA 0.698 46.005 45.100 0.344 0.000 0.763 80 G HN 0.363 nan 8.290 nan 0.000 0.547 81 C N -0.261 119.082 119.300 0.072 0.000 2.403 81 C HA 0.579 5.043 4.460 0.006 0.000 0.361 81 C C -0.313 174.673 174.990 -0.008 0.000 1.274 81 C CA -1.444 57.569 59.018 -0.009 0.000 2.433 81 C CB 1.453 29.123 27.740 -0.116 0.000 2.323 81 C HN 0.200 nan 8.230 nan 0.000 0.614 82 D N 1.772 122.145 120.400 -0.045 0.000 2.393 82 D HA 0.141 4.785 4.640 0.006 0.000 0.232 82 D C 1.013 177.275 176.300 -0.063 0.000 1.192 82 D CA 0.353 54.331 54.000 -0.036 0.000 0.882 82 D CB 1.100 41.865 40.800 -0.058 0.000 1.038 82 D HN 0.665 nan 8.370 nan 0.000 0.499 83 Q N 1.510 121.311 119.800 0.002 0.000 2.197 83 Q HA -0.195 4.149 4.340 0.006 0.000 0.207 83 Q C 1.455 177.501 176.000 0.076 0.000 0.984 83 Q CA 1.216 57.073 55.803 0.090 0.000 0.869 83 Q CB 0.238 29.092 28.738 0.194 0.000 0.906 83 Q HN 0.370 nan 8.270 nan 0.000 0.426 84 K N -0.093 120.289 120.400 -0.030 0.000 2.057 84 K HA -0.099 4.224 4.320 0.006 0.000 0.206 84 K C 2.066 178.541 176.600 -0.209 0.000 1.050 84 K CA 1.223 57.442 56.287 -0.114 0.000 0.935 84 K CB -0.024 32.438 32.500 -0.062 0.000 0.715 84 K HN 0.030 nan 8.250 nan 0.000 0.439 85 V N 1.482 121.251 119.914 -0.242 0.000 2.427 85 V HA -0.234 3.889 4.120 0.006 0.000 0.248 85 V C 2.346 178.173 176.094 -0.445 0.000 1.051 85 V CA 1.968 63.976 62.300 -0.486 0.000 1.048 85 V CB -0.621 30.764 31.823 -0.730 0.000 0.666 85 V HN 0.343 nan 8.190 nan 0.000 0.456 86 A N -0.383 122.291 122.820 -0.243 0.000 1.933 86 A HA -0.186 4.138 4.320 0.006 0.000 0.218 86 A C 2.370 179.961 177.584 0.011 0.000 1.175 86 A CA 1.349 53.343 52.037 -0.073 0.000 0.628 86 A CB -0.427 18.574 19.000 0.001 0.000 0.814 86 A HN 0.357 nan 8.150 nan 0.000 0.444 87 R N -0.758 119.607 120.500 -0.225 0.000 2.075 87 R HA -0.017 4.327 4.340 0.006 0.000 0.232 87 R C 2.130 178.081 176.300 -0.582 0.000 1.126 87 R CA 1.648 57.332 56.100 -0.694 0.000 0.963 87 R CB -0.712 28.696 30.300 -1.486 0.000 0.858 87 R HN 0.668 nan 8.270 nan 0.000 0.435 88 M N -0.689 118.679 119.600 -0.387 0.000 2.108 88 M HA -0.180 4.304 4.480 0.006 0.000 0.261 88 M C 2.036 178.366 176.300 0.051 0.000 1.066 88 M CA 1.565 56.869 55.300 0.007 0.000 1.107 88 M CB -0.458 32.217 32.600 0.125 0.000 1.356 88 M HN 0.028 nan 8.290 nan 0.000 0.406 89 F N 1.298 121.161 119.950 -0.145 0.000 2.060 89 F HA -0.179 4.353 4.527 0.007 0.000 0.295 89 F C 2.275 178.039 175.800 -0.060 0.000 1.120 89 F CA 1.869 59.834 58.000 -0.058 0.000 1.205 89 F CB -0.771 38.147 39.000 -0.137 0.000 0.986 89 F HN -0.007 nan 8.300 nan 0.000 0.470 90 V N -0.444 119.211 119.914 -0.432 0.000 2.469 90 V HA -0.296 3.828 4.120 0.006 0.000 0.251 90 V C 2.149 178.089 176.094 -0.256 0.000 1.064 90 V CA 2.444 64.448 62.300 -0.495 0.000 1.066 90 V CB -1.437 30.254 31.823 -0.221 0.000 0.667 90 V HN 0.655 nan 8.190 nan 0.000 0.461 91 N N 0.392 119.001 118.700 -0.151 0.000 2.331 91 N HA -0.120 4.623 4.740 0.006 0.000 0.180 91 N C 1.658 177.138 175.510 -0.051 0.000 1.019 91 N CA 1.771 54.802 53.050 -0.032 0.000 0.881 91 N CB 0.078 38.622 38.487 0.096 0.000 0.972 91 N HN 0.631 nan 8.380 nan 0.000 0.435 92 T N -0.046 114.439 114.554 -0.115 0.000 3.051 92 T HA 0.207 4.561 4.350 0.006 0.000 0.255 92 T C 1.878 176.456 174.700 -0.204 0.000 1.085 92 T CA 0.419 62.438 62.100 -0.135 0.000 1.109 92 T CB 0.127 68.923 68.868 -0.121 0.000 0.921 92 T HN 0.274 nan 8.240 nan 0.000 0.488 93 A N 2.621 125.249 122.820 -0.320 0.000 1.892 93 A HA -0.035 4.288 4.320 0.006 0.000 0.218 93 A C 0.016 177.500 177.584 -0.166 0.000 1.188 93 A CA 1.381 53.245 52.037 -0.287 0.000 0.631 93 A CB -1.592 17.152 19.000 -0.427 0.000 0.822 93 A HN 0.343 nan 8.150 nan 0.000 0.447 94 P HA -0.210 nan 4.420 nan 0.000 0.215 94 P C 1.131 178.362 177.300 -0.114 0.000 1.153 94 P CA 1.919 64.950 63.100 -0.115 0.000 0.853 94 P CB -0.131 31.524 31.700 -0.075 0.000 0.788 95 K N -0.905 119.437 120.400 -0.097 0.000 2.288 95 K HA 0.125 4.449 4.320 0.006 0.000 0.201 95 K C 1.999 178.526 176.600 -0.121 0.000 1.048 95 K CA 1.207 57.444 56.287 -0.083 0.000 0.956 95 K CB -0.714 31.770 32.500 -0.026 0.000 0.746 95 K HN -0.021 nan 8.250 nan 0.000 0.461 96 A N 2.235 124.975 122.820 -0.134 0.000 1.897 96 A HA -0.040 4.283 4.320 0.006 0.000 0.215 96 A C 2.189 179.727 177.584 -0.076 0.000 1.181 96 A CA 0.802 52.766 52.037 -0.121 0.000 0.620 96 A CB -0.338 18.618 19.000 -0.073 0.000 0.821 96 A HN 0.161 nan 8.150 nan 0.000 0.443 97 I N -0.107 120.408 120.570 -0.093 0.000 2.163 97 I HA -0.229 3.944 4.170 0.006 0.000 0.243 97 I C 2.595 178.665 176.117 -0.079 0.000 1.085 97 I CA 1.644 62.860 61.300 -0.139 0.000 1.347 97 I CB -1.189 36.566 38.000 -0.409 0.000 1.044 97 I HN 0.354 nan 8.210 nan 0.000 0.408 98 R N 0.320 120.745 120.500 -0.124 0.000 2.096 98 R HA -0.191 4.153 4.340 0.006 0.000 0.235 98 R C 2.195 178.433 176.300 -0.104 0.000 1.127 98 R CA 1.298 57.345 56.100 -0.089 0.000 0.968 98 R CB -0.253 29.994 30.300 -0.087 0.000 0.861 98 R HN 0.443 nan 8.270 nan 0.000 0.440 99 E N 0.927 121.003 120.200 -0.205 0.000 2.072 99 E HA -0.155 4.198 4.350 0.006 0.000 0.191 99 E C 1.812 178.045 176.600 -0.612 0.000 0.985 99 E CA 0.840 56.964 56.400 -0.460 0.000 0.801 99 E CB 0.053 29.397 29.700 -0.593 0.000 0.750 99 E HN 0.269 nan 8.360 nan 0.000 0.452 100 L N 0.327 121.382 121.223 -0.280 0.000 2.141 100 L HA -0.122 4.221 4.340 0.006 0.000 0.209 100 L C 2.607 179.581 176.870 0.172 0.000 1.094 100 L CA 0.879 55.714 54.840 -0.010 0.000 0.763 100 L CB -0.410 41.792 42.059 0.238 0.000 0.908 100 L HN 0.214 nan 8.230 nan 0.000 0.437 101 A N 0.197 123.183 122.820 0.276 0.000 1.902 101 A HA -0.139 4.185 4.320 0.006 0.000 0.217 101 A C 2.514 180.193 177.584 0.158 0.000 1.181 101 A CA 1.615 53.833 52.037 0.302 0.000 0.623 101 A CB -0.651 18.514 19.000 0.275 0.000 0.818 101 A HN 0.376 nan 8.150 nan 0.000 0.443 102 A N -1.982 120.883 122.820 0.075 0.000 2.067 102 A HA -0.087 4.237 4.320 0.006 0.000 0.219 102 A C 1.587 179.340 177.584 0.282 0.000 1.158 102 A CA 1.096 53.201 52.037 0.112 0.000 0.661 102 A CB -0.631 18.396 19.000 0.044 0.000 0.801 102 A HN 0.724 nan 8.150 nan 0.000 0.452 103 W N -1.043 120.296 121.300 0.065 0.000 3.345 103 W HA 0.391 5.054 4.660 0.005 0.000 0.282 103 W C 1.547 178.075 176.519 0.014 0.000 1.302 103 W CA 0.113 57.481 57.345 0.038 0.000 1.724 103 W CB -0.809 28.674 29.460 0.038 0.000 1.104 103 W HN 0.566 nan 8.180 nan 0.000 0.694 104 G N -0.563 108.362 108.800 0.208 0.000 2.176 104 G HA2 -0.277 3.687 3.960 0.006 0.000 0.232 104 G HA3 -0.277 3.687 3.960 0.006 0.000 0.232 104 G C 0.082 174.985 174.900 0.004 0.000 0.986 104 G CA -0.098 45.060 45.100 0.097 0.000 0.643 104 G HN -0.036 nan 8.290 nan 0.000 0.522 105 V N 3.305 123.188 119.914 -0.052 0.000 2.475 105 V HA 0.237 4.361 4.120 0.006 0.000 0.292 105 V C -0.723 175.134 176.094 -0.394 0.000 1.003 105 V CA 0.176 62.282 62.300 -0.322 0.000 1.120 105 V CB 0.829 32.296 31.823 -0.592 0.000 0.937 105 V HN 0.323 nan 8.190 nan 0.000 0.476 106 P HA 0.011 nan 4.420 nan 0.000 0.231 106 P C -0.272 176.927 177.300 -0.168 0.000 1.756 106 P CA -0.376 62.621 63.100 -0.171 0.000 0.990 106 P CB -0.243 31.392 31.700 -0.108 0.000 1.973 107 W N 0.908 122.173 121.300 -0.058 0.000 2.257 107 W HA 0.014 4.676 4.660 0.004 0.000 0.337 107 W C 1.054 177.476 176.519 -0.162 0.000 1.321 107 W CA -0.010 57.263 57.345 -0.120 0.000 1.267 107 W CB -0.195 29.202 29.460 -0.105 0.000 1.187 107 W HN 0.063 nan 8.180 nan 0.000 0.565 108 T N 5.732 120.265 114.554 -0.034 0.000 2.928 108 T HA 0.117 4.471 4.350 0.006 0.000 0.305 108 T C 0.453 175.129 174.700 -0.039 0.000 1.035 108 T CA -0.432 61.589 62.100 -0.130 0.000 1.145 108 T CB 0.153 68.756 68.868 -0.442 0.000 0.963 108 T HN 0.116 nan 8.240 nan 0.000 0.545 109 R N 2.296 122.803 120.500 0.013 0.000 2.758 109 R HA 0.542 4.885 4.340 0.006 0.000 0.265 109 R C -0.001 176.271 176.300 -0.046 0.000 1.016 109 R CA -0.993 55.095 56.100 -0.020 0.000 1.040 109 R CB 1.007 31.273 30.300 -0.056 0.000 1.152 109 R HN 0.554 nan 8.270 nan 0.000 0.503 110 I N 2.986 123.406 120.570 -0.251 0.000 2.519 110 I HA 0.131 4.305 4.170 0.006 0.000 0.287 110 I C 0.828 176.729 176.117 -0.360 0.000 1.047 110 I CA -0.167 60.846 61.300 -0.479 0.000 1.381 110 I CB 0.506 38.143 38.000 -0.604 0.000 1.417 110 I HN 0.470 nan 8.210 nan 0.000 0.540 111 H N 5.159 124.079 119.070 -0.250 0.000 2.690 111 H HA 0.433 4.992 4.556 0.005 0.000 0.368 111 H C -1.103 174.268 175.328 0.072 0.000 1.150 111 H CA -1.186 54.800 56.048 -0.104 0.000 1.174 111 H CB 1.389 31.154 29.762 0.004 0.000 1.684 111 H HN 0.452 nan 8.280 nan 0.000 0.538 112 K N 1.289 121.910 120.400 0.368 0.000 2.489 112 K HA 0.318 4.642 4.320 0.006 0.000 0.278 112 K C 0.253 176.907 176.600 0.090 0.000 1.000 112 K CA 1.600 57.949 56.287 0.102 0.000 1.012 112 K CB 0.371 32.910 32.500 0.064 0.000 0.903 112 K HN 0.991 nan 8.250 nan 0.000 0.485 113 G N 2.542 111.324 108.800 -0.030 0.000 2.346 113 G HA2 -0.056 3.907 3.960 0.006 0.000 0.294 113 G HA3 -0.056 3.907 3.960 0.006 0.000 0.294 113 G C -1.836 173.033 174.900 -0.051 0.000 1.294 113 G CA -0.870 44.232 45.100 0.002 0.000 0.962 113 G HN 0.545 nan 8.290 nan 0.000 0.508 114 D N 0.220 120.613 120.400 -0.012 0.000 2.269 114 D HA 0.780 5.423 4.640 0.006 0.000 0.244 114 D C 0.165 176.458 176.300 -0.012 0.000 0.992 114 D CA -0.186 53.799 54.000 -0.025 0.000 0.894 114 D CB 2.018 42.809 40.800 -0.016 0.000 1.248 114 D HN 0.479 nan 8.370 nan 0.000 0.468 115 R N 0.299 120.786 120.500 -0.021 0.000 2.837 115 R HA 0.589 4.933 4.340 0.006 0.000 0.271 115 R C -0.121 176.164 176.300 -0.025 0.000 0.993 115 R CA -0.689 55.404 56.100 -0.011 0.000 0.931 115 R CB 1.595 31.907 30.300 0.021 0.000 1.206 115 R HN 0.263 nan 8.270 nan 0.000 0.474 116 M N 0.772 120.345 119.600 -0.045 0.000 2.872 116 M HA 0.641 5.125 4.480 0.006 0.000 0.290 116 M C 0.814 177.113 176.300 -0.002 0.000 1.180 116 M CA -0.834 54.440 55.300 -0.043 0.000 0.839 116 M CB 0.953 33.491 32.600 -0.104 0.000 1.667 116 M HN 0.800 nan 8.290 nan 0.000 0.512 117 A N 0.253 123.078 122.820 0.009 0.000 5.726 117 A HA -0.241 4.083 4.320 0.006 0.000 0.383 117 A C 0.665 178.298 177.584 0.081 0.000 1.737 117 A CA 1.783 53.842 52.037 0.036 0.000 1.014 117 A CB -1.711 17.306 19.000 0.027 0.000 1.399 117 A HN 1.194 nan 8.150 nan 0.000 0.471 118 I N -2.642 117.978 120.570 0.083 0.000 5.965 118 I HA -0.236 3.938 4.170 0.006 0.000 0.126 118 I C -0.192 176.057 176.117 0.220 0.000 1.819 118 I CA 0.846 62.224 61.300 0.130 0.000 2.039 118 I CB -1.933 36.194 38.000 0.211 0.000 3.417 118 I HN 0.532 nan 8.210 nan 0.000 0.170 119 I N 0.675 121.326 120.570 0.135 0.000 2.827 119 I HA 0.239 4.412 4.170 0.006 0.000 0.298 119 I C 1.215 177.375 176.117 0.073 0.000 1.235 119 I CA -0.830 60.554 61.300 0.140 0.000 1.021 119 I CB 1.577 39.642 38.000 0.109 0.000 1.259 119 I HN 0.093 nan 8.210 nan 0.000 0.427 120 N N 3.535 122.274 118.700 0.066 0.000 2.058 120 N HA -0.019 4.724 4.740 0.006 0.000 0.191 120 N C 0.359 175.884 175.510 0.024 0.000 1.037 120 N CA 1.146 54.215 53.050 0.032 0.000 0.848 120 N CB 0.297 38.802 38.487 0.031 0.000 1.021 120 N HN 0.689 nan 8.380 nan 0.000 0.422 121 A N -1.696 121.142 122.820 0.030 0.000 2.506 121 A HA 0.443 4.766 4.320 0.006 0.000 0.305 121 A C 0.028 177.624 177.584 0.020 0.000 1.166 121 A CA 0.383 52.432 52.037 0.020 0.000 0.638 121 A CB 0.435 19.444 19.000 0.015 0.000 1.336 121 A HN 0.382 nan 8.150 nan 0.000 0.493 122 Q N -0.508 119.300 119.800 0.014 0.000 1.885 122 Q HA -0.296 4.048 4.340 0.006 0.000 0.356 122 Q C 0.491 176.496 176.000 0.007 0.000 0.719 122 Q CA 2.265 58.074 55.803 0.010 0.000 0.957 122 Q CB -1.148 27.596 28.738 0.009 0.000 2.506 122 Q HN 0.942 nan 8.270 nan 0.000 0.741 123 K N -0.066 120.335 120.400 0.003 0.000 2.397 123 K HA 0.063 4.387 4.320 0.006 0.000 0.265 123 K C -0.228 176.375 176.600 0.005 0.000 0.982 123 K CA 1.426 57.710 56.287 -0.004 0.000 0.931 123 K CB 0.383 32.871 32.500 -0.020 0.000 0.943 123 K HN 0.546 nan 8.250 nan 0.000 0.501 124 T N 0.067 114.620 114.554 -0.001 0.000 3.416 124 T HA 0.013 4.367 4.350 0.006 0.000 0.298 124 T C -0.937 173.762 174.700 -0.003 0.000 0.874 124 T CA -0.219 61.886 62.100 0.008 0.000 0.901 124 T CB 0.382 69.256 68.868 0.011 0.000 1.215 124 T HN 0.782 nan 8.240 nan 0.000 0.677 125 T N 0.832 115.376 114.554 -0.016 0.000 2.812 125 T HA 0.803 5.156 4.350 0.006 0.000 0.282 125 T C -0.585 174.089 174.700 -0.043 0.000 0.990 125 T CA -0.699 61.386 62.100 -0.025 0.000 0.960 125 T CB 1.321 70.175 68.868 -0.022 0.000 0.948 125 T HN 0.183 nan 8.240 nan 0.000 0.438 126 I N 2.628 123.170 120.570 -0.047 0.000 2.441 126 I HA 0.434 4.608 4.170 0.006 0.000 0.295 126 I C 0.010 176.084 176.117 -0.071 0.000 0.994 126 I CA -0.802 60.453 61.300 -0.075 0.000 1.144 126 I CB 2.244 40.193 38.000 -0.085 0.000 1.314 126 I HN 0.647 nan 8.210 nan 0.000 0.445 127 T N 4.853 119.355 114.554 -0.087 0.000 2.792 127 T HA 0.303 4.656 4.350 0.006 0.000 0.280 127 T C -0.504 174.117 174.700 -0.131 0.000 0.990 127 T CA -0.660 61.385 62.100 -0.092 0.000 0.960 127 T CB 1.165 69.989 68.868 -0.073 0.000 0.939 127 T HN 0.362 nan 8.240 nan 0.000 0.439 128 E N 3.114 123.218 120.200 -0.161 0.000 2.092 128 E HA 0.303 4.657 4.350 0.006 0.000 0.271 128 E C -0.086 176.354 176.600 -0.267 0.000 0.919 128 E CA -0.584 55.679 56.400 -0.228 0.000 0.760 128 E CB 1.457 31.000 29.700 -0.262 0.000 1.106 128 E HN 0.551 nan 8.360 nan 0.000 0.408 129 E N 1.352 121.308 120.200 -0.407 0.000 2.428 129 E HA -0.081 4.273 4.350 0.006 0.000 0.257 129 E C 0.911 177.221 176.600 -0.483 0.000 1.197 129 E CA 0.123 56.216 56.400 -0.512 0.000 0.974 129 E CB 0.501 29.641 29.700 -0.934 0.000 0.976 129 E HN 0.410 nan 8.360 nan 0.000 0.463 130 D N 0.298 120.509 120.400 -0.315 0.000 2.178 130 D HA -0.198 4.445 4.640 0.006 0.000 0.202 130 D C 1.439 177.683 176.300 -0.093 0.000 0.974 130 D CA 0.915 54.829 54.000 -0.143 0.000 0.841 130 D CB -0.558 40.213 40.800 -0.048 0.000 0.953 130 D HN 0.510 nan 8.370 nan 0.000 0.478 131 F N 0.157 120.114 119.950 0.012 0.000 2.699 131 F HA 0.316 4.845 4.527 0.003 0.000 0.298 131 F C 1.836 177.642 175.800 0.010 0.000 1.154 131 F CA -0.146 57.860 58.000 0.011 0.000 1.457 131 F CB -0.390 38.608 39.000 -0.003 0.000 1.106 131 F HN -0.193 nan 8.300 nan 0.000 0.585 132 R N -0.686 119.648 120.500 -0.276 0.000 2.254 132 R HA 0.015 4.359 4.340 0.006 0.000 0.195 132 R C 0.638 176.878 176.300 -0.100 0.000 0.957 132 R CA -0.036 55.967 56.100 -0.161 0.000 1.024 132 R CB -0.444 29.662 30.300 -0.322 0.000 0.952 132 R HN 0.315 nan 8.270 nan 0.000 0.484 133 H N 0.501 119.485 119.070 -0.144 0.000 3.034 133 H HA -0.057 4.502 4.556 0.005 0.000 0.324 133 H C 1.009 176.313 175.328 -0.040 0.000 1.015 133 H CA 1.969 57.965 56.048 -0.087 0.000 1.429 133 H CB 0.645 30.376 29.762 -0.052 0.000 1.429 133 H HN 0.508 nan 8.280 nan 0.000 0.585 134 G N 4.301 112.837 108.800 -0.440 0.000 2.199 134 G HA2 -0.243 3.721 3.960 0.006 0.000 0.254 134 G HA3 -0.243 3.721 3.960 0.006 0.000 0.254 134 G C 0.354 175.191 174.900 -0.106 0.000 0.982 134 G CA 0.288 45.263 45.100 -0.208 0.000 0.632 134 G HN 0.564 nan 8.290 nan 0.000 0.529 135 L N 0.871 122.026 121.223 -0.113 0.000 2.439 135 L HA 0.529 4.873 4.340 0.006 0.000 0.259 135 L C 1.363 178.173 176.870 -0.100 0.000 1.129 135 L CA -1.145 53.647 54.840 -0.081 0.000 0.803 135 L CB 0.778 42.798 42.059 -0.064 0.000 1.161 135 L HN 0.054 nan 8.230 nan 0.000 0.462 136 I N 0.814 121.330 120.570 -0.089 0.000 2.662 136 I HA -0.067 4.106 4.170 0.006 0.000 0.285 136 I C 0.609 176.689 176.117 -0.061 0.000 1.161 136 I CA 0.458 61.696 61.300 -0.103 0.000 1.415 136 I CB -0.081 37.771 38.000 -0.248 0.000 1.385 136 I HN 0.525 nan 8.210 nan 0.000 0.552 137 H N 4.410 123.405 119.070 -0.125 0.000 2.534 137 H HA 0.423 4.984 4.556 0.007 0.000 0.364 137 H C -0.280 175.047 175.328 -0.001 0.000 1.328 137 H CA -0.500 55.512 56.048 -0.061 0.000 1.415 137 H CB 1.005 30.737 29.762 -0.049 0.000 1.573 137 H HN 0.606 nan 8.280 nan 0.000 0.601 138 S N -0.344 115.598 115.700 0.404 0.000 2.579 138 S HA 0.379 4.853 4.470 0.006 0.000 0.272 138 S C -1.276 173.509 174.600 0.309 0.000 1.141 138 S CA -1.012 57.386 58.200 0.329 0.000 0.843 138 S CB 2.226 65.576 63.200 0.250 0.000 1.122 138 S HN 0.716 nan 8.310 nan 0.000 0.468 139 R N 0.012 120.618 120.500 0.177 0.000 2.930 139 R HA 0.702 5.046 4.340 0.006 0.000 0.257 139 R C -1.672 174.411 176.300 -0.362 0.000 1.107 139 R CA -0.918 55.105 56.100 -0.129 0.000 0.999 139 R CB 0.577 30.599 30.300 -0.465 0.000 1.209 139 R HN 0.457 nan 8.270 nan 0.000 0.486 140 D N 0.513 120.335 120.400 -0.963 0.000 2.336 140 D HA 0.291 4.935 4.640 0.006 0.000 0.249 140 D C -1.589 174.448 176.300 -0.439 0.000 1.213 140 D CA 0.134 53.408 54.000 -1.210 0.000 0.870 140 D CB 0.254 39.971 40.800 -1.805 0.000 1.076 140 D HN 0.405 nan 8.370 nan 0.000 0.483 141 F N 2.168 121.860 119.950 -0.430 0.000 2.654 141 F HA 0.467 4.998 4.527 0.006 0.000 0.314 141 F C 0.740 176.422 175.800 -0.196 0.000 1.116 141 F CA 0.207 58.041 58.000 -0.275 0.000 1.017 141 F CB 1.675 40.544 39.000 -0.218 0.000 1.285 141 F HN 0.456 nan 8.300 nan 0.000 0.448 142 G N 2.172 110.482 108.800 -0.817 0.000 2.176 142 G HA2 0.103 4.067 3.960 0.006 0.000 0.253 142 G HA3 0.103 4.067 3.960 0.006 0.000 0.253 142 G C 1.198 175.891 174.900 -0.345 0.000 0.979 142 G CA 0.722 45.500 45.100 -0.538 0.000 0.641 142 G HN 2.343 nan 8.290 nan 0.000 0.530 143 G N -0.901 107.714 108.800 -0.309 0.000 2.168 143 G HA2 0.065 4.028 3.960 0.006 0.000 0.257 143 G HA3 0.065 4.028 3.960 0.006 0.000 0.257 143 G C 0.704 175.535 174.900 -0.115 0.000 0.997 143 G CA 1.594 46.571 45.100 -0.206 0.000 0.708 143 G HN 2.442 nan 8.290 nan 0.000 0.520 144 T N -2.308 112.196 114.554 -0.084 0.000 2.897 144 T HA 0.546 4.900 4.350 0.006 0.000 0.294 144 T C 1.332 176.077 174.700 0.076 0.000 1.004 144 T CA 0.353 62.449 62.100 -0.008 0.000 1.106 144 T CB 2.196 71.066 68.868 0.003 0.000 0.949 144 T HN 0.352 nan 8.240 nan 0.000 0.520 145 K N 1.242 121.693 120.400 0.085 0.000 2.032 145 K HA -0.114 4.210 4.320 0.006 0.000 0.209 145 K C 0.783 177.502 176.600 0.199 0.000 1.048 145 K CA 1.180 57.543 56.287 0.127 0.000 0.927 145 K CB -0.027 32.519 32.500 0.078 0.000 0.712 145 K HN 0.474 nan 8.250 nan 0.000 0.441 146 K N 0.744 121.238 120.400 0.156 0.000 2.258 146 K HA 0.036 4.359 4.320 0.006 0.000 0.284 146 K C -1.442 175.337 176.600 0.299 0.000 1.051 146 K CA -0.357 56.027 56.287 0.162 0.000 0.923 146 K CB 0.426 32.970 32.500 0.075 0.000 1.046 146 K HN 0.051 nan 8.250 nan 0.000 0.474 147 W N 5.376 126.669 121.300 -0.012 0.000 2.485 147 W HA 0.196 4.859 4.660 0.006 0.000 0.315 147 W C 0.798 177.311 176.519 -0.010 0.000 1.304 147 W CA -0.435 56.908 57.345 -0.003 0.000 1.345 147 W CB 0.062 29.529 29.460 0.011 0.000 1.368 147 W HN 0.644 nan 8.180 nan 0.000 0.497 148 R N 0.060 120.650 120.500 0.150 0.000 2.566 148 R HA 0.225 4.569 4.340 0.006 0.000 0.388 148 R C -0.120 176.192 176.300 0.020 0.000 0.989 148 R CA -0.346 55.779 56.100 0.042 0.000 1.164 148 R CB -0.227 30.022 30.300 -0.085 0.000 1.459 148 R HN 0.029 nan 8.270 nan 0.000 0.553 149 T N 1.830 116.429 114.554 0.074 0.000 2.723 149 T HA 0.261 4.615 4.350 0.006 0.000 0.297 149 T C -0.019 174.772 174.700 0.153 0.000 0.925 149 T CA -0.187 61.964 62.100 0.086 0.000 1.030 149 T CB 0.443 69.369 68.868 0.097 0.000 0.905 149 T HN 0.250 nan 8.240 nan 0.000 0.502 150 C N 4.552 123.905 119.300 0.089 0.000 2.459 150 C HA 0.755 5.218 4.460 0.006 0.000 0.374 150 C C -0.192 175.039 174.990 0.402 0.000 1.241 150 C CA -0.894 58.169 59.018 0.075 0.000 2.352 150 C CB -0.911 26.559 27.740 -0.451 0.000 2.490 150 C HN 0.934 nan 8.230 nan 0.000 0.583 151 Y N -1.342 119.154 120.300 0.328 0.000 2.624 151 Y HA 0.603 5.157 4.550 0.007 0.000 0.334 151 Y C -0.326 175.768 175.900 0.322 0.000 1.155 151 Y CA -1.312 56.980 58.100 0.321 0.000 1.046 151 Y CB 0.596 39.091 38.460 0.058 0.000 1.316 151 Y HN 0.587 nan 8.280 nan 0.000 0.457 152 T N 0.668 115.301 114.554 0.131 0.000 3.254 152 T HA 0.693 5.046 4.350 0.006 0.000 0.385 152 T C 0.628 175.368 174.700 0.067 0.000 1.528 152 T CA 0.052 62.127 62.100 -0.041 0.000 1.212 152 T CB 0.007 68.738 68.868 -0.229 0.000 1.145 152 T HN 2.177 nan 8.240 nan 0.000 0.631 153 A N 3.846 126.773 122.820 0.178 0.000 5.391 153 A HA -0.260 4.063 4.320 0.006 0.000 0.315 153 A C 1.264 178.959 177.584 0.185 0.000 1.874 153 A CA 1.379 53.552 52.037 0.227 0.000 0.714 153 A CB -1.760 17.289 19.000 0.081 0.000 1.335 153 A HN 1.021 nan 8.150 nan 0.000 0.382 154 D N 0.172 120.605 120.400 0.055 0.000 2.388 154 D HA 0.519 5.162 4.640 0.006 0.000 0.221 154 D C 0.267 176.546 176.300 -0.036 0.000 1.133 154 D CA 1.025 55.023 54.000 -0.003 0.000 0.831 154 D CB -0.115 40.673 40.800 -0.020 0.000 0.962 154 D HN 1.599 nan 8.370 nan 0.000 0.502 155 A N 0.029 122.831 122.820 -0.031 0.000 3.234 155 A HA 0.346 4.669 4.320 0.006 0.000 0.247 155 A C 1.200 178.772 177.584 -0.020 0.000 0.938 155 A CA -0.488 51.518 52.037 -0.053 0.000 1.039 155 A CB 0.017 18.933 19.000 -0.139 0.000 1.197 155 A HN 0.016 nan 8.150 nan 0.000 0.498 156 T N -0.047 114.498 114.554 -0.014 0.000 2.652 156 T HA -0.133 4.221 4.350 0.006 0.000 0.267 156 T C 2.169 176.846 174.700 -0.038 0.000 1.039 156 T CA 2.375 64.457 62.100 -0.029 0.000 1.153 156 T CB -0.231 68.675 68.868 0.063 0.000 0.863 156 T HN 0.703 nan 8.240 nan 0.000 0.428 157 G N 1.032 109.828 108.800 -0.007 0.000 2.440 157 G HA2 -0.323 3.641 3.960 0.006 0.000 0.218 157 G HA3 -0.323 3.641 3.960 0.006 0.000 0.218 157 G C 1.383 176.290 174.900 0.012 0.000 1.154 157 G CA 1.112 46.214 45.100 0.003 0.000 0.767 157 G HN 0.617 nan 8.290 nan 0.000 0.552 158 H N 1.507 120.524 119.070 -0.089 0.000 2.321 158 H HA -0.150 4.409 4.556 0.006 0.000 0.300 158 H C 2.705 177.933 175.328 -0.166 0.000 1.087 158 H CA 2.401 58.371 56.048 -0.131 0.000 1.319 158 H CB -0.518 29.100 29.762 -0.239 0.000 1.379 158 H HN 0.436 nan 8.280 nan 0.000 0.501 159 T N -1.369 113.067 114.554 -0.196 0.000 2.867 159 T HA -0.094 4.260 4.350 0.006 0.000 0.268 159 T C 2.393 176.990 174.700 -0.171 0.000 1.057 159 T CA 1.345 63.297 62.100 -0.247 0.000 1.136 159 T CB -0.398 68.343 68.868 -0.212 0.000 0.874 159 T HN 0.238 nan 8.240 nan 0.000 0.466 160 M N 0.210 119.723 119.600 -0.145 0.000 2.077 160 M HA 0.100 4.583 4.480 0.006 0.000 0.261 160 M C 2.317 178.639 176.300 0.037 0.000 1.070 160 M CA 1.368 56.635 55.300 -0.056 0.000 1.125 160 M CB -0.516 32.076 32.600 -0.013 0.000 1.339 160 M HN 0.236 nan 8.290 nan 0.000 0.409 161 L N -0.063 121.186 121.223 0.045 0.000 2.012 161 L HA -0.176 4.168 4.340 0.006 0.000 0.210 161 L C 2.065 178.989 176.870 0.091 0.000 1.073 161 L CA 1.976 56.863 54.840 0.078 0.000 0.748 161 L CB -0.744 41.375 42.059 0.099 0.000 0.891 161 L HN 0.098 nan 8.230 nan 0.000 0.431 162 F N -0.100 119.725 119.950 -0.209 0.000 2.126 162 F HA -0.187 4.343 4.527 0.006 0.000 0.299 162 F C 2.513 178.243 175.800 -0.116 0.000 1.096 162 F CA 1.202 59.083 58.000 -0.198 0.000 1.255 162 F CB -1.356 37.459 39.000 -0.309 0.000 0.997 162 F HN 0.209 nan 8.300 nan 0.000 0.479 163 A N -0.286 122.595 122.820 0.102 0.000 1.902 163 A HA -0.121 4.203 4.320 0.006 0.000 0.217 163 A C 2.366 179.979 177.584 0.048 0.000 1.181 163 A CA 1.951 54.040 52.037 0.086 0.000 0.623 163 A CB -1.194 17.900 19.000 0.157 0.000 0.818 163 A HN 0.170 nan 8.150 nan 0.000 0.443 164 V N -0.231 119.743 119.914 0.099 0.000 2.427 164 V HA -0.178 3.945 4.120 0.006 0.000 0.248 164 V C 2.969 179.029 176.094 -0.057 0.000 1.051 164 V CA 1.740 64.085 62.300 0.075 0.000 1.048 164 V CB -1.210 30.702 31.823 0.148 0.000 0.666 164 V HN 0.598 nan 8.190 nan 0.000 0.456 165 A N 0.461 123.233 122.820 -0.080 0.000 1.930 165 A HA -0.175 4.148 4.320 0.006 0.000 0.217 165 A C 2.084 179.572 177.584 -0.159 0.000 1.175 165 A CA 1.754 53.709 52.037 -0.137 0.000 0.627 165 A CB -0.591 18.281 19.000 -0.214 0.000 0.815 165 A HN 0.555 nan 8.150 nan 0.000 0.443 166 N N 0.172 118.776 118.700 -0.159 0.000 2.166 166 N HA -0.119 4.625 4.740 0.006 0.000 0.186 166 N C 1.551 176.940 175.510 -0.203 0.000 1.019 166 N CA 1.241 54.196 53.050 -0.158 0.000 0.856 166 N CB -0.309 38.108 38.487 -0.116 0.000 0.993 166 N HN 0.432 nan 8.380 nan 0.000 0.426 167 E N 0.438 120.464 120.200 -0.290 0.000 2.110 167 E HA -0.080 4.273 4.350 0.006 0.000 0.193 167 E C 2.120 178.557 176.600 -0.271 0.000 0.988 167 E CA 0.395 56.540 56.400 -0.425 0.000 0.804 167 E CB -0.423 28.796 29.700 -0.802 0.000 0.745 167 E HN 0.335 nan 8.360 nan 0.000 0.458 168 C N 0.512 119.696 119.300 -0.193 0.000 2.429 168 C HA -0.077 4.387 4.460 0.006 0.000 0.277 168 C C 2.845 177.769 174.990 -0.110 0.000 1.262 168 C CA 0.346 59.289 59.018 -0.124 0.000 1.733 168 C CB -1.107 26.578 27.740 -0.091 0.000 2.010 168 C HN 0.370 nan 8.230 nan 0.000 0.483 169 L N 0.747 121.900 121.223 -0.118 0.000 2.046 169 L HA -0.181 4.162 4.340 0.006 0.000 0.208 169 L C 2.688 179.502 176.870 -0.094 0.000 1.077 169 L CA 1.621 56.403 54.840 -0.097 0.000 0.747 169 L CB -0.749 41.250 42.059 -0.100 0.000 0.896 169 L HN 0.391 nan 8.230 nan 0.000 0.432 170 K N 0.806 121.134 120.400 -0.120 0.000 2.063 170 K HA -0.187 4.137 4.320 0.006 0.000 0.208 170 K C 1.959 178.504 176.600 -0.093 0.000 1.048 170 K CA 1.446 57.666 56.287 -0.112 0.000 0.928 170 K CB -0.100 32.308 32.500 -0.153 0.000 0.713 170 K HN 0.283 nan 8.250 nan 0.000 0.442 171 L N -0.287 120.876 121.223 -0.101 0.000 2.552 171 L HA 0.086 4.430 4.340 0.006 0.000 0.227 171 L C 1.058 177.897 176.870 -0.051 0.000 1.146 171 L CA 0.511 55.307 54.840 -0.072 0.000 0.858 171 L CB -0.035 41.979 42.059 -0.074 0.000 0.969 171 L HN 0.575 nan 8.230 nan 0.000 0.451 172 G N 0.399 109.168 108.800 -0.052 0.000 2.160 172 G HA2 -0.240 3.723 3.960 0.006 0.000 0.244 172 G HA3 -0.240 3.723 3.960 0.006 0.000 0.244 172 G C 0.207 175.090 174.900 -0.029 0.000 1.022 172 G CA 0.015 45.093 45.100 -0.037 0.000 0.741 172 G HN 0.092 nan 8.290 nan 0.000 0.508 173 V N 0.573 120.466 119.914 -0.035 0.000 2.763 173 V HA 0.391 4.515 4.120 0.006 0.000 0.306 173 V C 1.343 177.427 176.094 -0.017 0.000 1.059 173 V CA 0.908 63.194 62.300 -0.023 0.000 1.138 173 V CB 1.704 33.509 31.823 -0.030 0.000 0.940 173 V HN 0.644 nan 8.190 nan 0.000 0.489 174 S N 5.925 121.624 115.700 -0.001 0.000 2.400 174 S HA 0.435 4.909 4.470 0.006 0.000 0.295 174 S C -0.365 174.238 174.600 0.005 0.000 1.113 174 S CA -0.627 57.578 58.200 0.008 0.000 1.064 174 S CB -0.430 62.788 63.200 0.031 0.000 0.990 174 S HN 0.483 nan 8.310 nan 0.000 0.502 175 I N 5.333 125.898 120.570 -0.010 0.000 2.304 175 I HA 0.273 4.447 4.170 0.006 0.000 0.291 175 I C 0.069 176.179 176.117 -0.011 0.000 1.018 175 I CA -0.269 61.018 61.300 -0.021 0.000 1.260 175 I CB 1.224 39.199 38.000 -0.041 0.000 1.390 175 I HN 0.530 nan 8.210 nan 0.000 0.475 176 Q N 5.907 125.700 119.800 -0.011 0.000 2.413 176 Q HA 0.207 4.550 4.340 0.006 0.000 0.258 176 Q C -0.888 175.097 176.000 -0.025 0.000 1.037 176 Q CA -0.867 54.935 55.803 -0.001 0.000 0.764 176 Q CB 1.845 30.604 28.738 0.035 0.000 1.217 176 Q HN 0.589 nan 8.270 nan 0.000 0.490 177 D N 1.254 121.644 120.400 -0.017 0.000 2.466 177 D HA 0.195 4.839 4.640 0.006 0.000 0.262 177 D C -0.076 176.220 176.300 -0.008 0.000 1.177 177 D CA -0.578 53.410 54.000 -0.020 0.000 1.035 177 D CB 0.717 41.504 40.800 -0.021 0.000 1.105 177 D HN 0.454 nan 8.370 nan 0.000 0.551 178 R N -1.755 118.742 120.500 -0.004 0.000 3.516 178 R HA -0.222 4.122 4.340 0.006 0.000 0.271 178 R C -0.745 175.563 176.300 0.013 0.000 1.098 178 R CA 0.726 56.832 56.100 0.010 0.000 0.732 178 R CB -1.591 28.720 30.300 0.019 0.000 1.152 178 R HN 0.384 nan 8.270 nan 0.000 0.455 179 K N 0.975 121.370 120.400 -0.010 0.000 2.471 179 K HA 0.311 4.634 4.320 0.006 0.000 0.252 179 K C -1.109 175.465 176.600 -0.043 0.000 0.938 179 K CA -0.655 55.616 56.287 -0.028 0.000 0.796 179 K CB 1.609 34.065 32.500 -0.074 0.000 1.161 179 K HN 0.205 nan 8.250 nan 0.000 0.425 180 E N 2.555 122.742 120.200 -0.022 0.000 2.199 180 E HA 0.587 4.941 4.350 0.006 0.000 0.265 180 E C -1.304 175.272 176.600 -0.041 0.000 0.882 180 E CA -0.989 55.404 56.400 -0.012 0.000 0.759 180 E CB 1.419 31.158 29.700 0.065 0.000 1.148 180 E HN 0.671 nan 8.360 nan 0.000 0.412 181 A N 5.287 128.072 122.820 -0.057 0.000 2.396 181 A HA 0.276 4.600 4.320 0.006 0.000 0.279 181 A C 0.765 178.329 177.584 -0.034 0.000 1.165 181 A CA -0.324 51.676 52.037 -0.062 0.000 0.824 181 A CB -0.398 18.557 19.000 -0.076 0.000 1.100 181 A HN 0.751 nan 8.150 nan 0.000 0.516 182 I N -0.507 120.038 120.570 -0.043 0.000 4.139 182 I HA 0.631 4.805 4.170 0.006 0.000 0.335 182 I C 0.504 176.612 176.117 -0.015 0.000 1.327 182 I CA 0.338 61.608 61.300 -0.051 0.000 1.112 182 I CB 0.200 38.096 38.000 -0.173 0.000 1.058 182 I HN 0.550 nan 8.210 nan 0.000 0.396 183 A N 1.294 124.112 122.820 -0.003 0.000 2.599 183 A HA 0.721 5.045 4.320 0.006 0.000 0.294 183 A C -1.548 176.029 177.584 -0.012 0.000 1.055 183 A CA -0.528 51.523 52.037 0.023 0.000 0.683 183 A CB 1.079 20.136 19.000 0.096 0.000 1.278 183 A HN 0.191 nan 8.150 nan 0.000 0.412 184 L N 1.742 122.948 121.223 -0.027 0.000 2.317 184 L HA 0.537 4.881 4.340 0.006 0.000 0.281 184 L C -0.519 176.182 176.870 -0.283 0.000 1.024 184 L CA -0.578 54.205 54.840 -0.095 0.000 0.810 184 L CB 1.591 43.608 42.059 -0.071 0.000 1.240 184 L HN 0.613 nan 8.230 nan 0.000 0.427 185 I N 2.880 123.199 120.570 -0.418 0.000 2.352 185 I HA 0.232 4.406 4.170 0.006 0.000 0.290 185 I C -0.296 175.554 176.117 -0.444 0.000 1.036 185 I CA -0.166 60.606 61.300 -0.880 0.000 1.336 185 I CB 0.468 38.199 38.000 -0.448 0.000 1.407 185 I HN 0.687 nan 8.210 nan 0.000 0.497 186 H N 4.024 122.769 119.070 -0.542 0.000 3.016 186 H HA 0.718 5.278 4.556 0.006 0.000 0.362 186 H C -1.303 174.054 175.328 0.049 0.000 1.233 186 H CA -0.937 54.971 56.048 -0.232 0.000 1.124 186 H CB 1.611 31.265 29.762 -0.179 0.000 1.850 186 H HN 0.523 nan 8.280 nan 0.000 0.549 187 Q N 0.833 120.645 119.800 0.019 0.000 2.438 187 Q HA 0.198 4.542 4.340 0.006 0.000 0.272 187 Q C -1.287 174.796 176.000 0.139 0.000 0.994 187 Q CA -0.622 55.270 55.803 0.149 0.000 0.887 187 Q CB 1.595 30.527 28.738 0.324 0.000 1.432 187 Q HN 0.948 nan 8.270 nan 0.000 0.392 188 D N 2.300 122.784 120.400 0.140 0.000 2.708 188 D HA -0.215 4.428 4.640 0.006 0.000 0.236 188 D C 0.602 176.946 176.300 0.073 0.000 1.146 188 D CA 1.803 55.869 54.000 0.109 0.000 0.662 188 D CB -1.296 39.580 40.800 0.125 0.000 1.059 188 D HN 1.108 nan 8.370 nan 0.000 0.428 189 G N -0.839 108.004 108.800 0.073 0.000 2.153 189 G HA2 -0.373 3.591 3.960 0.006 0.000 0.252 189 G HA3 -0.373 3.591 3.960 0.006 0.000 0.252 189 G C 0.250 175.119 174.900 -0.052 0.000 0.994 189 G CA 0.968 46.076 45.100 0.014 0.000 0.698 189 G HN 0.465 nan 8.290 nan 0.000 0.521 190 K N -0.707 119.620 120.400 -0.121 0.000 2.316 190 K HA 0.637 4.961 4.320 0.006 0.000 0.251 190 K C -0.199 176.078 176.600 -0.537 0.000 0.934 190 K CA -0.501 55.610 56.287 -0.293 0.000 0.802 190 K CB 1.962 34.281 32.500 -0.302 0.000 1.171 190 K HN 0.322 nan 8.250 nan 0.000 0.426 191 C N 4.128 123.193 119.300 -0.390 0.000 2.307 191 C HA 0.442 4.906 4.460 0.006 0.000 0.340 191 C C -0.102 174.718 174.990 -0.283 0.000 1.275 191 C CA -0.351 58.485 59.018 -0.302 0.000 1.811 191 C CB -0.797 26.869 27.740 -0.124 0.000 2.372 191 C HN 0.878 nan 8.230 nan 0.000 0.531 192 Y N 4.322 124.643 120.300 0.036 0.000 2.531 192 Y HA 0.469 5.023 4.550 0.006 0.000 0.249 192 Y C 1.298 177.212 175.900 0.024 0.000 1.168 192 Y CA 0.390 58.516 58.100 0.043 0.000 1.226 192 Y CB -0.128 38.349 38.460 0.030 0.000 1.177 192 Y HN 1.079 nan 8.280 nan 0.000 0.527 193 G N -0.108 108.753 108.800 0.102 0.000 2.302 193 G HA2 0.467 4.430 3.960 0.006 0.000 0.264 193 G HA3 0.467 4.430 3.960 0.006 0.000 0.264 193 G C -1.686 173.221 174.900 0.011 0.000 1.335 193 G CA -0.367 44.779 45.100 0.076 0.000 0.982 193 G HN 0.403 nan 8.290 nan 0.000 0.473 194 A N -1.449 121.395 122.820 0.041 0.000 2.539 194 A HA 0.833 5.157 4.320 0.006 0.000 0.296 194 A C -0.800 176.820 177.584 0.061 0.000 1.073 194 A CA -0.264 51.777 52.037 0.006 0.000 0.700 194 A CB 1.904 20.892 19.000 -0.020 0.000 1.296 194 A HN 1.772 nan 8.150 nan 0.000 0.405 195 V N 1.469 121.406 119.914 0.037 0.000 2.465 195 V HA 0.488 4.611 4.120 0.006 0.000 0.279 195 V C -0.225 175.903 176.094 0.057 0.000 1.045 195 V CA -0.217 62.133 62.300 0.083 0.000 0.938 195 V CB 1.227 33.106 31.823 0.093 0.000 0.986 195 V HN 0.646 nan 8.190 nan 0.000 0.467 196 V N 5.576 125.550 119.914 0.101 0.000 2.680 196 V HA 0.561 4.685 4.120 0.006 0.000 0.309 196 V C -0.073 176.053 176.094 0.053 0.000 1.052 196 V CA -0.923 61.403 62.300 0.043 0.000 0.908 196 V CB 2.088 33.910 31.823 -0.001 0.000 1.001 196 V HN 0.880 nan 8.190 nan 0.000 0.431 197 R N 2.414 122.918 120.500 0.006 0.000 2.338 197 R HA 0.335 4.678 4.340 0.006 0.000 0.317 197 R C -0.682 175.645 176.300 0.045 0.000 0.968 197 R CA -0.557 55.552 56.100 0.015 0.000 0.849 197 R CB 1.107 31.381 30.300 -0.043 0.000 1.128 197 R HN 0.805 nan 8.270 nan 0.000 0.448 198 D N 5.551 125.991 120.400 0.066 0.000 2.338 198 D HA 0.022 4.665 4.640 0.006 0.000 0.255 198 D C 1.202 177.545 176.300 0.072 0.000 1.237 198 D CA -0.007 54.035 54.000 0.069 0.000 0.883 198 D CB 0.992 41.838 40.800 0.077 0.000 1.087 198 D HN 0.647 nan 8.370 nan 0.000 0.485 199 L N 3.353 124.617 121.223 0.068 0.000 2.191 199 L HA -0.169 4.175 4.340 0.006 0.000 0.212 199 L C 2.127 179.043 176.870 0.077 0.000 1.103 199 L CA 0.529 55.415 54.840 0.076 0.000 0.769 199 L CB -0.122 41.974 42.059 0.061 0.000 0.908 199 L HN 0.351 nan 8.230 nan 0.000 0.438 200 V N -0.738 119.219 119.914 0.073 0.000 2.300 200 V HA -0.173 3.951 4.120 0.006 0.000 0.241 200 V C 2.580 178.742 176.094 0.113 0.000 1.034 200 V CA 2.147 64.497 62.300 0.083 0.000 1.021 200 V CB -0.604 31.253 31.823 0.058 0.000 0.662 200 V HN 0.590 nan 8.190 nan 0.000 0.458 201 T N -2.574 112.032 114.554 0.087 0.000 3.054 201 T HA 0.253 4.607 4.350 0.006 0.000 0.259 201 T C 1.633 176.401 174.700 0.114 0.000 1.092 201 T CA 1.208 63.356 62.100 0.079 0.000 1.121 201 T CB 0.559 69.451 68.868 0.040 0.000 0.912 201 T HN 1.044 nan 8.240 nan 0.000 0.489 202 G N 1.452 110.316 108.800 0.107 0.000 2.176 202 G HA2 -0.203 3.760 3.960 0.006 0.000 0.253 202 G HA3 -0.203 3.760 3.960 0.006 0.000 0.253 202 G C -0.278 174.663 174.900 0.068 0.000 0.979 202 G CA 0.021 45.179 45.100 0.097 0.000 0.641 202 G HN 0.603 nan 8.290 nan 0.000 0.530 203 D N 0.762 121.200 120.400 0.063 0.000 2.423 203 D HA 0.329 4.973 4.640 0.006 0.000 0.238 203 D C 0.855 177.188 176.300 0.056 0.000 1.142 203 D CA 0.290 54.322 54.000 0.053 0.000 0.884 203 D CB 0.798 41.629 40.800 0.051 0.000 1.199 203 D HN 0.122 nan 8.370 nan 0.000 0.438 204 I N 3.019 123.619 120.570 0.050 0.000 2.339 204 I HA 0.364 4.538 4.170 0.006 0.000 0.290 204 I C 0.393 176.554 176.117 0.072 0.000 0.994 204 I CA -0.426 60.907 61.300 0.055 0.000 1.191 204 I CB 0.636 38.662 38.000 0.043 0.000 1.343 204 I HN 0.163 nan 8.210 nan 0.000 0.458 205 I N 4.486 125.122 120.570 0.111 0.000 2.647 205 I HA 0.597 4.770 4.170 0.006 0.000 0.295 205 I C 0.039 176.255 176.117 0.164 0.000 1.078 205 I CA -0.830 60.540 61.300 0.115 0.000 1.048 205 I CB 2.319 40.408 38.000 0.148 0.000 1.239 205 I HN 0.594 nan 8.210 nan 0.000 0.421 206 A N 4.912 127.782 122.820 0.083 0.000 2.260 206 A HA 0.648 4.972 4.320 0.006 0.000 0.308 206 A C -1.476 176.141 177.584 0.055 0.000 1.254 206 A CA -0.147 51.955 52.037 0.108 0.000 0.874 206 A CB 0.034 19.077 19.000 0.072 0.000 1.153 206 A HN 0.540 nan 8.150 nan 0.000 0.527 207 Y N 2.218 122.528 120.300 0.017 0.000 2.369 207 Y HA 0.419 4.973 4.550 0.006 0.000 0.337 207 Y C 0.471 176.375 175.900 0.006 0.000 0.961 207 Y CA -0.549 57.555 58.100 0.008 0.000 1.186 207 Y CB 1.694 40.151 38.460 -0.006 0.000 1.139 207 Y HN 0.621 nan 8.280 nan 0.000 0.494 208 V N 0.881 120.848 119.914 0.088 0.000 2.547 208 V HA 1.037 5.161 4.120 0.006 0.000 0.299 208 V C -0.298 175.767 176.094 -0.048 0.000 1.040 208 V CA -0.797 61.555 62.300 0.087 0.000 0.913 208 V CB 1.249 33.155 31.823 0.137 0.000 0.992 208 V HN 0.815 nan 8.190 nan 0.000 0.449 209 A N 3.275 126.093 122.820 -0.004 0.000 2.609 209 A HA 0.656 4.980 4.320 0.006 0.000 0.291 209 A C 0.291 177.917 177.584 0.070 0.000 1.096 209 A CA -0.655 51.305 52.037 -0.127 0.000 0.684 209 A CB 1.579 20.532 19.000 -0.079 0.000 1.282 209 A HN 0.802 nan 8.150 nan 0.000 0.412 210 K N -0.052 120.373 120.400 0.043 0.000 2.288 210 K HA 0.178 4.501 4.320 0.006 0.000 0.201 210 K C 0.794 177.557 176.600 0.272 0.000 1.048 210 K CA 1.178 57.549 56.287 0.140 0.000 0.956 210 K CB 0.196 32.719 32.500 0.039 0.000 0.746 210 K HN 0.797 nan 8.250 nan 0.000 0.461 211 G N -0.021 108.915 108.800 0.226 0.000 2.706 211 G HA2 0.374 4.338 3.960 0.006 0.000 0.297 211 G HA3 0.374 4.338 3.960 0.006 0.000 0.297 211 G C -1.328 173.857 174.900 0.475 0.000 1.403 211 G CA -0.405 44.947 45.100 0.419 0.000 0.954 211 G HN -0.164 nan 8.290 nan 0.000 0.500 212 T N 1.241 116.089 114.554 0.489 0.000 2.848 212 T HA 0.561 4.915 4.350 0.006 0.000 0.285 212 T C -0.807 173.940 174.700 0.078 0.000 0.995 212 T CA -0.340 61.925 62.100 0.275 0.000 0.970 212 T CB 1.547 70.489 68.868 0.123 0.000 0.976 212 T HN 0.500 nan 8.240 nan 0.000 0.441 213 L N 4.434 125.537 121.223 -0.199 0.000 2.333 213 L HA 0.673 5.016 4.340 0.006 0.000 0.280 213 L C -1.175 175.560 176.870 -0.225 0.000 1.004 213 L CA -0.873 53.713 54.840 -0.425 0.000 0.820 213 L CB 0.860 42.290 42.059 -1.049 0.000 1.247 213 L HN 0.644 nan 8.230 nan 0.000 0.416 214 I N 5.354 125.824 120.570 -0.167 0.000 2.312 214 I HA 0.426 4.599 4.170 0.006 0.000 0.290 214 I C 0.168 176.212 176.117 -0.122 0.000 1.008 214 I CA -0.258 60.969 61.300 -0.122 0.000 1.226 214 I CB 1.687 39.629 38.000 -0.096 0.000 1.371 214 I HN 0.749 nan 8.210 nan 0.000 0.468 215 A N 3.718 126.473 122.820 -0.107 0.000 3.297 215 A HA 0.293 4.617 4.320 0.006 0.000 0.304 215 A C 0.738 178.284 177.584 -0.063 0.000 0.963 215 A CA -0.388 51.595 52.037 -0.090 0.000 0.935 215 A CB -0.323 18.619 19.000 -0.097 0.000 1.093 215 A HN 0.731 nan 8.150 nan 0.000 0.480 216 T N -2.391 112.128 114.554 -0.057 0.000 3.144 216 T HA 0.469 4.822 4.350 0.006 0.000 0.249 216 T C 1.159 175.835 174.700 -0.040 0.000 1.089 216 T CA 0.748 62.822 62.100 -0.044 0.000 0.989 216 T CB -0.310 68.533 68.868 -0.041 0.000 0.992 216 T HN 2.078 nan 8.240 nan 0.000 0.540 217 G N 0.289 109.061 108.800 -0.046 0.000 2.693 217 G HA2 0.199 4.162 3.960 0.006 0.000 0.226 217 G HA3 0.199 4.162 3.960 0.006 0.000 0.226 217 G C 0.109 174.943 174.900 -0.111 0.000 1.354 217 G CA -0.567 44.494 45.100 -0.066 0.000 0.873 217 G HN 0.909 nan 8.290 nan 0.000 0.562 218 G N -1.793 106.887 108.800 -0.200 0.000 2.543 218 G HA2 0.670 4.634 3.960 0.006 0.000 0.290 218 G HA3 0.670 4.634 3.960 0.006 0.000 0.290 218 G C 0.189 174.970 174.900 -0.199 0.000 1.310 218 G CA 0.396 45.296 45.100 -0.334 0.000 1.025 218 G HN 1.770 nan 8.290 nan 0.000 0.502 219 Y N -2.159 118.043 120.300 -0.162 0.000 2.713 219 Y HA 0.474 5.028 4.550 0.006 0.000 0.269 219 Y C 1.639 177.502 175.900 -0.062 0.000 1.106 219 Y CA -0.680 57.358 58.100 -0.104 0.000 1.174 219 Y CB -0.028 38.382 38.460 -0.085 0.000 1.186 219 Y HN 0.473 nan 8.280 nan 0.000 0.555 220 G N 1.412 110.085 108.800 -0.212 0.000 2.475 220 G HA2 -0.227 3.737 3.960 0.006 0.000 0.220 220 G HA3 -0.227 3.737 3.960 0.006 0.000 0.220 220 G C 1.630 176.564 174.900 0.057 0.000 1.125 220 G CA 0.454 45.480 45.100 -0.123 0.000 0.755 220 G HN 0.220 nan 8.290 nan 0.000 0.565 221 R N 0.756 121.265 120.500 0.015 0.000 2.357 221 R HA 0.004 4.348 4.340 0.006 0.000 0.202 221 R C 2.303 178.644 176.300 0.069 0.000 1.047 221 R CA 0.466 56.587 56.100 0.036 0.000 1.034 221 R CB -0.884 29.414 30.300 -0.004 0.000 0.875 221 R HN 0.776 nan 8.270 nan 0.000 0.473 222 I N -3.597 117.033 120.570 0.100 0.000 3.111 222 I HA -0.010 4.163 4.170 0.006 0.000 0.272 222 I C 0.080 176.154 176.117 -0.072 0.000 1.268 222 I CA 0.359 61.662 61.300 0.004 0.000 1.467 222 I CB -0.242 37.737 38.000 -0.035 0.000 1.087 222 I HN -0.214 nan 8.210 nan 0.000 0.467 223 Y N 1.658 121.980 120.300 0.037 0.000 2.376 223 Y HA 0.289 4.843 4.550 0.006 0.000 0.325 223 Y C 1.522 177.446 175.900 0.040 0.000 1.199 223 Y CA -0.509 57.623 58.100 0.052 0.000 1.206 223 Y CB 1.334 39.819 38.460 0.041 0.000 1.229 223 Y HN -0.170 nan 8.280 nan 0.000 0.480 224 K N 1.077 121.608 120.400 0.218 0.000 2.062 224 K HA -0.015 4.308 4.320 0.006 0.000 0.205 224 K C -0.537 176.136 176.600 0.121 0.000 1.051 224 K CA 0.933 57.302 56.287 0.137 0.000 0.941 224 K CB -0.042 32.535 32.500 0.128 0.000 0.719 224 K HN 0.727 nan 8.250 nan 0.000 0.440 225 N N 0.612 119.413 118.700 0.169 0.000 2.437 225 N HA 0.091 4.835 4.740 0.006 0.000 0.259 225 N C -1.245 174.312 175.510 0.078 0.000 0.983 225 N CA -0.307 52.814 53.050 0.118 0.000 0.937 225 N CB 1.839 40.430 38.487 0.174 0.000 1.122 225 N HN 0.030 nan 8.380 nan 0.000 0.499 226 T N -0.940 113.626 114.554 0.020 0.000 2.853 226 T HA 0.207 4.560 4.350 0.006 0.000 0.311 226 T C 0.835 175.516 174.700 -0.030 0.000 1.307 226 T CA -0.571 61.508 62.100 -0.033 0.000 1.019 226 T CB 1.292 70.127 68.868 -0.055 0.000 1.264 226 T HN 0.480 nan 8.240 nan 0.000 0.497 227 T N 0.155 114.705 114.554 -0.006 0.000 3.057 227 T HA 0.246 4.600 4.350 0.006 0.000 0.254 227 T C 0.733 175.442 174.700 0.014 0.000 1.094 227 T CA 0.014 62.137 62.100 0.038 0.000 1.088 227 T CB -0.590 68.396 68.868 0.197 0.000 0.934 227 T HN 0.627 nan 8.240 nan 0.000 0.497 228 N N 1.761 120.375 118.700 -0.145 0.000 2.416 228 N HA 0.399 5.143 4.740 0.006 0.000 0.246 228 N C 0.278 175.601 175.510 -0.312 0.000 1.260 228 N CA -0.280 52.490 53.050 -0.466 0.000 0.897 228 N CB 0.421 38.634 38.487 -0.457 0.000 1.110 228 N HN 0.475 nan 8.380 nan 0.000 0.439 229 A N 1.116 123.682 122.820 -0.423 0.000 2.386 229 A HA 0.045 4.368 4.320 0.006 0.000 0.246 229 A C 1.441 178.962 177.584 -0.106 0.000 1.089 229 A CA -0.479 51.502 52.037 -0.094 0.000 0.790 229 A CB 0.283 19.311 19.000 0.046 0.000 1.042 229 A HN 0.552 nan 8.150 nan 0.000 0.497 230 V N 1.016 120.903 119.914 -0.045 0.000 2.867 230 V HA -0.180 3.944 4.120 0.006 0.000 0.260 230 V C 2.073 178.147 176.094 -0.033 0.000 1.099 230 V CA 2.235 64.515 62.300 -0.034 0.000 1.122 230 V CB -0.359 31.456 31.823 -0.013 0.000 0.708 230 V HN 0.887 nan 8.190 nan 0.000 0.490 231 V N -4.026 115.866 119.914 -0.037 0.000 3.649 231 V HA 0.127 4.251 4.120 0.006 0.000 0.275 231 V C 1.015 177.079 176.094 -0.049 0.000 1.281 231 V CA -0.042 62.240 62.300 -0.030 0.000 1.143 231 V CB -0.981 30.834 31.823 -0.013 0.000 0.892 231 V HN 0.490 nan 8.190 nan 0.000 0.441 232 C N 2.449 121.694 119.300 -0.093 0.000 2.615 232 C HA 0.382 4.845 4.460 0.006 0.000 0.503 232 C C 1.374 176.327 174.990 -0.062 0.000 1.039 232 C CA -0.248 58.702 59.018 -0.113 0.000 1.226 232 C CB -2.181 25.419 27.740 -0.235 0.000 1.447 232 C HN 0.624 nan 8.230 nan 0.000 0.572 233 E N 0.481 120.667 120.200 -0.023 0.000 2.481 233 E HA 0.195 4.548 4.350 0.006 0.000 0.198 233 E C 1.712 178.331 176.600 0.031 0.000 1.027 233 E CA 0.300 56.704 56.400 0.006 0.000 0.900 233 E CB 0.339 30.035 29.700 -0.007 0.000 0.993 233 E HN 0.814 nan 8.360 nan 0.000 0.482 234 G N 2.430 111.257 108.800 0.046 0.000 2.153 234 G HA2 -0.380 3.583 3.960 0.006 0.000 0.252 234 G HA3 -0.380 3.583 3.960 0.006 0.000 0.252 234 G C 1.152 176.047 174.900 -0.008 0.000 0.994 234 G CA 0.965 46.098 45.100 0.055 0.000 0.698 234 G HN 0.429 nan 8.290 nan 0.000 0.521 235 T N -2.745 111.806 114.554 -0.006 0.000 2.915 235 T HA 0.135 4.489 4.350 0.006 0.000 0.269 235 T C 2.429 177.115 174.700 -0.024 0.000 1.071 235 T CA 1.635 63.731 62.100 -0.008 0.000 1.132 235 T CB -0.292 68.593 68.868 0.028 0.000 0.878 235 T HN 1.140 nan 8.240 nan 0.000 0.479 236 G N 1.340 110.125 108.800 -0.026 0.000 2.408 236 G HA2 -0.113 3.850 3.960 0.006 0.000 0.217 236 G HA3 -0.113 3.850 3.960 0.006 0.000 0.217 236 G C 1.670 176.537 174.900 -0.054 0.000 1.150 236 G CA 1.194 46.270 45.100 -0.040 0.000 0.776 236 G HN 0.544 nan 8.290 nan 0.000 0.542 237 T N 1.700 116.223 114.554 -0.051 0.000 2.777 237 T HA 0.067 4.420 4.350 0.006 0.000 0.266 237 T C 2.816 177.452 174.700 -0.108 0.000 1.040 237 T CA 1.366 63.420 62.100 -0.076 0.000 1.141 237 T CB -0.323 68.491 68.868 -0.089 0.000 0.868 237 T HN 0.346 nan 8.240 nan 0.000 0.444 238 A N 2.350 125.103 122.820 -0.112 0.000 1.858 238 A HA -0.030 4.294 4.320 0.006 0.000 0.216 238 A C 2.368 179.876 177.584 -0.126 0.000 1.190 238 A CA 1.616 53.567 52.037 -0.143 0.000 0.617 238 A CB -0.903 18.019 19.000 -0.130 0.000 0.827 238 A HN 0.708 nan 8.150 nan 0.000 0.443 239 I N -2.632 117.887 120.570 -0.085 0.000 2.454 239 I HA -0.107 4.066 4.170 0.006 0.000 0.254 239 I C 2.296 178.363 176.117 -0.083 0.000 1.156 239 I CA 1.457 62.715 61.300 -0.070 0.000 1.433 239 I CB -0.501 37.472 38.000 -0.046 0.000 1.082 239 I HN 0.201 nan 8.210 nan 0.000 0.432 240 A N 1.774 124.538 122.820 -0.094 0.000 1.872 240 A HA -0.098 4.226 4.320 0.006 0.000 0.214 240 A C 2.273 179.791 177.584 -0.110 0.000 1.187 240 A CA 1.558 53.533 52.037 -0.104 0.000 0.614 240 A CB -0.847 18.094 19.000 -0.098 0.000 0.826 240 A HN 0.491 nan 8.150 nan 0.000 0.442 241 L N 0.413 121.571 121.223 -0.109 0.000 2.046 241 L HA -0.125 4.218 4.340 0.006 0.000 0.208 241 L C 1.891 178.705 176.870 -0.093 0.000 1.077 241 L CA 2.173 56.957 54.840 -0.094 0.000 0.747 241 L CB -0.551 41.432 42.059 -0.127 0.000 0.896 241 L HN 0.499 nan 8.230 nan 0.000 0.432 242 E N -1.151 118.966 120.200 -0.138 0.000 2.516 242 E HA -0.124 4.229 4.350 0.006 0.000 0.199 242 E C 1.661 178.240 176.600 -0.035 0.000 1.069 242 E CA 0.909 57.237 56.400 -0.118 0.000 0.876 242 E CB -0.198 29.422 29.700 -0.134 0.000 0.843 242 E HN 0.721 nan 8.360 nan 0.000 0.530 243 T N -3.195 111.306 114.554 -0.089 0.000 3.067 243 T HA 0.097 4.451 4.350 0.006 0.000 0.261 243 T C 1.736 176.342 174.700 -0.158 0.000 1.110 243 T CA 0.541 62.512 62.100 -0.215 0.000 1.113 243 T CB 0.199 68.792 68.868 -0.458 0.000 0.917 243 T HN 0.251 nan 8.240 nan 0.000 0.499 244 G N 1.022 109.793 108.800 -0.048 0.000 2.184 244 G HA2 -0.251 3.712 3.960 0.006 0.000 0.264 244 G HA3 -0.251 3.712 3.960 0.006 0.000 0.264 244 G C 0.661 175.543 174.900 -0.030 0.000 0.975 244 G CA 0.553 45.665 45.100 0.020 0.000 0.642 244 G HN 0.598 nan 8.290 nan 0.000 0.536 245 I N -0.096 120.410 120.570 -0.106 0.000 3.873 245 I HA 0.402 4.575 4.170 0.006 0.000 0.284 245 I C 1.782 177.837 176.117 -0.103 0.000 1.186 245 I CA 0.325 61.564 61.300 -0.103 0.000 1.362 245 I CB -0.055 37.860 38.000 -0.141 0.000 1.432 245 I HN 0.299 nan 8.210 nan 0.000 0.454 246 A N 1.870 124.611 122.820 -0.132 0.000 2.445 246 A HA 0.302 4.625 4.320 0.006 0.000 0.242 246 A C -0.235 177.300 177.584 -0.081 0.000 1.075 246 A CA 0.367 52.334 52.037 -0.116 0.000 0.777 246 A CB 0.131 19.052 19.000 -0.132 0.000 1.013 246 A HN 0.369 nan 8.150 nan 0.000 0.493 247 Q N 0.197 119.953 119.800 -0.073 0.000 2.348 247 Q HA 0.583 4.927 4.340 0.006 0.000 0.271 247 Q C -1.501 174.466 176.000 -0.055 0.000 1.067 247 Q CA -0.918 54.851 55.803 -0.057 0.000 0.839 247 Q CB 1.895 30.601 28.738 -0.054 0.000 1.354 247 Q HN 0.556 nan 8.270 nan 0.000 0.447 248 L N 0.840 122.032 121.223 -0.052 0.000 2.309 248 L HA 0.605 4.948 4.340 0.006 0.000 0.282 248 L C 0.323 177.167 176.870 -0.043 0.000 1.036 248 L CA 0.092 54.899 54.840 -0.055 0.000 0.806 248 L CB 1.596 43.609 42.059 -0.076 0.000 1.220 248 L HN 0.714 nan 8.230 nan 0.000 0.429 249 G N 1.188 109.972 108.800 -0.027 0.000 2.415 249 G HA2 0.361 4.324 3.960 0.006 0.000 0.327 249 G HA3 0.361 4.324 3.960 0.006 0.000 0.327 249 G C -0.098 174.787 174.900 -0.025 0.000 1.182 249 G CA -0.530 44.562 45.100 -0.013 0.000 0.924 249 G HN 0.660 nan 8.290 nan 0.000 0.470 250 N N 1.056 119.741 118.700 -0.024 0.000 2.698 250 N HA -0.158 4.585 4.740 0.006 0.000 0.258 250 N C 1.554 177.022 175.510 -0.070 0.000 0.978 250 N CA 0.426 53.425 53.050 -0.085 0.000 0.777 250 N CB -0.279 38.019 38.487 -0.315 0.000 0.907 250 N HN 0.454 nan 8.380 nan 0.000 0.543 251 M N -0.191 119.393 119.600 -0.026 0.000 2.358 251 M HA -0.146 4.338 4.480 0.006 0.000 0.264 251 M C 2.015 178.359 176.300 0.073 0.000 1.064 251 M CA 1.389 56.686 55.300 -0.004 0.000 1.093 251 M CB -0.439 32.090 32.600 -0.118 0.000 1.401 251 M HN 0.408 nan 8.290 nan 0.000 0.440 252 E N 0.283 120.510 120.200 0.045 0.000 2.427 252 E HA 0.023 4.377 4.350 0.006 0.000 0.196 252 E C 0.417 177.094 176.600 0.129 0.000 1.028 252 E CA 0.492 56.949 56.400 0.094 0.000 0.864 252 E CB -0.339 29.367 29.700 0.010 0.000 0.813 252 E HN 0.308 nan 8.360 nan 0.000 0.514 253 A N 2.215 125.037 122.820 0.003 0.000 2.797 253 A HA 0.392 4.715 4.320 0.006 0.000 0.296 253 A C -0.232 177.365 177.584 0.023 0.000 1.580 253 A CA -0.395 51.611 52.037 -0.052 0.000 1.277 253 A CB -0.112 18.600 19.000 -0.480 0.000 1.101 253 A HN 0.071 nan 8.150 nan 0.000 0.562 254 V N 2.875 122.857 119.914 0.114 0.000 2.459 254 V HA 0.347 4.471 4.120 0.006 0.000 0.295 254 V C 0.154 176.250 176.094 0.003 0.000 1.029 254 V CA -0.562 61.728 62.300 -0.015 0.000 0.874 254 V CB 1.608 33.415 31.823 -0.027 0.000 0.985 254 V HN 0.910 nan 8.190 nan 0.000 0.438 255 Q N 2.427 122.161 119.800 -0.111 0.000 2.245 255 Q HA 0.625 4.969 4.340 0.006 0.000 0.256 255 Q C -1.678 174.230 176.000 -0.152 0.000 0.942 255 Q CA -0.469 55.345 55.803 0.017 0.000 0.896 255 Q CB 1.531 30.314 28.738 0.075 0.000 1.272 255 Q HN 0.608 nan 8.270 nan 0.000 0.442 256 F N 0.551 120.487 119.950 -0.023 0.000 2.497 256 F HA 0.374 4.905 4.527 0.006 0.000 0.331 256 F C -0.164 175.630 175.800 -0.010 0.000 1.060 256 F CA -0.684 57.303 58.000 -0.022 0.000 0.989 256 F CB 1.336 40.287 39.000 -0.083 0.000 1.245 256 F HN 0.583 nan 8.300 nan 0.000 0.486 257 H N 1.671 120.776 119.070 0.059 0.000 2.469 257 H HA 0.359 4.919 4.556 0.006 0.000 0.342 257 H C -2.177 173.126 175.328 -0.041 0.000 1.115 257 H CA -2.079 53.900 56.048 -0.116 0.000 1.204 257 H CB 2.223 31.758 29.762 -0.377 0.000 1.492 257 H HN 0.175 nan 8.280 nan 0.000 0.499 258 P HA -0.060 nan 4.420 nan 0.000 0.220 258 P C 0.294 177.657 177.300 0.106 0.000 1.152 258 P CA 1.145 64.230 63.100 -0.025 0.000 0.812 258 P CB 0.382 31.999 31.700 -0.138 0.000 0.792 259 T N -5.500 109.219 114.554 0.275 0.000 3.393 259 T HA 0.438 4.792 4.350 0.006 0.000 0.255 259 T C -2.861 171.914 174.700 0.125 0.000 1.008 259 T CA -2.068 60.148 62.100 0.194 0.000 1.053 259 T CB -0.339 68.607 68.868 0.131 0.000 1.120 259 T HN -0.060 nan 8.240 nan 0.000 0.538 260 P HA 0.342 nan 4.420 nan 0.000 0.276 260 P C 0.144 177.467 177.300 0.037 0.000 1.244 260 P CA -0.816 62.261 63.100 -0.039 0.000 0.801 260 P CB 0.780 32.447 31.700 -0.054 0.000 1.006 261 L N 1.971 123.197 121.223 0.005 0.000 2.490 261 L HA 0.119 4.463 4.340 0.006 0.000 0.274 261 L C 0.368 177.273 176.870 0.058 0.000 1.201 261 L CA 0.076 54.940 54.840 0.041 0.000 0.869 261 L CB -0.184 41.875 42.059 -0.001 0.000 1.123 261 L HN 0.336 nan 8.230 nan 0.000 0.484 262 F N 6.122 126.020 119.950 -0.087 0.000 2.421 262 F HA 0.442 4.972 4.527 0.006 0.000 0.337 262 F C -1.582 174.125 175.800 -0.156 0.000 1.105 262 F CA -1.881 56.042 58.000 -0.128 0.000 1.049 262 F CB 1.281 40.166 39.000 -0.192 0.000 1.139 262 F HN 0.290 nan 8.300 nan 0.000 0.479 263 P HA 0.052 nan 4.420 nan 0.000 0.275 263 P C 0.898 177.892 177.300 -0.510 0.000 1.310 263 P CA 0.520 62.922 63.100 -1.163 0.000 0.904 263 P CB 0.305 31.081 31.700 -1.541 0.000 1.381 264 S N 0.391 115.882 115.700 -0.348 0.000 2.370 264 S HA -0.008 4.466 4.470 0.006 0.000 0.226 264 S C 1.892 176.391 174.600 -0.168 0.000 1.033 264 S CA 1.705 59.767 58.200 -0.231 0.000 1.011 264 S CB -1.619 61.471 63.200 -0.183 0.000 0.852 264 S HN 0.308 nan 8.310 nan 0.000 0.457 265 G N 0.773 109.495 108.800 -0.130 0.000 2.175 265 G HA2 -0.209 3.755 3.960 0.006 0.000 0.244 265 G HA3 -0.209 3.755 3.960 0.006 0.000 0.244 265 G C 0.073 174.905 174.900 -0.114 0.000 0.982 265 G CA 0.041 45.090 45.100 -0.085 0.000 0.641 265 G HN 0.611 nan 8.290 nan 0.000 0.527 266 I N 1.200 121.669 120.570 -0.168 0.000 2.618 266 I HA 0.168 4.342 4.170 0.006 0.000 0.284 266 I C 0.893 176.907 176.117 -0.171 0.000 1.146 266 I CA -0.623 60.543 61.300 -0.224 0.000 1.425 266 I CB 0.676 38.435 38.000 -0.403 0.000 1.383 266 I HN 0.049 nan 8.210 nan 0.000 0.562 267 L N 8.184 129.305 121.223 -0.169 0.000 2.410 267 L HA 0.186 4.529 4.340 0.006 0.000 0.273 267 L C -0.262 176.533 176.870 -0.126 0.000 1.144 267 L CA 0.502 55.228 54.840 -0.190 0.000 0.863 267 L CB 0.264 42.199 42.059 -0.208 0.000 1.140 267 L HN 0.406 nan 8.230 nan 0.000 0.463 268 L N 4.605 125.771 121.223 -0.094 0.000 2.283 268 L HA 0.202 4.545 4.340 0.006 0.000 0.281 268 L C 1.098 177.964 176.870 -0.007 0.000 1.033 268 L CA -0.240 54.586 54.840 -0.024 0.000 0.848 268 L CB 1.229 43.300 42.059 0.019 0.000 1.226 268 L HN 0.619 nan 8.230 nan 0.000 0.429 269 T N 1.904 116.454 114.554 -0.006 0.000 3.584 269 T HA 0.026 4.380 4.350 0.006 0.000 0.252 269 T C 0.716 175.431 174.700 0.025 0.000 1.103 269 T CA -0.036 62.076 62.100 0.021 0.000 0.977 269 T CB -0.566 68.298 68.868 -0.008 0.000 1.044 269 T HN 0.491 nan 8.240 nan 0.000 0.589 270 E N -0.141 120.076 120.200 0.028 0.000 2.413 270 E HA 0.349 4.702 4.350 0.006 0.000 0.263 270 E C 1.336 177.940 176.600 0.006 0.000 1.015 270 E CA 0.640 57.051 56.400 0.019 0.000 0.916 270 E CB 0.324 30.042 29.700 0.030 0.000 0.947 270 E HN 0.428 nan 8.360 nan 0.000 0.440 271 G N 1.820 110.612 108.800 -0.015 0.000 2.162 271 G HA2 -0.349 3.614 3.960 0.006 0.000 0.260 271 G HA3 -0.349 3.614 3.960 0.006 0.000 0.260 271 G C 0.742 175.615 174.900 -0.046 0.000 0.976 271 G CA 0.300 45.378 45.100 -0.037 0.000 0.655 271 G HN 0.617 nan 8.290 nan 0.000 0.533 272 C N -0.541 118.743 119.300 -0.027 0.000 3.544 272 C HA 0.310 4.774 4.460 0.006 0.000 0.276 272 C C 2.624 177.565 174.990 -0.082 0.000 1.526 272 C CA 1.060 60.065 59.018 -0.022 0.000 1.636 272 C CB -0.848 26.922 27.740 0.050 0.000 1.986 272 C HN 0.499 nan 8.230 nan 0.000 0.666 273 R N 1.162 121.604 120.500 -0.097 0.000 2.133 273 R HA -0.110 4.233 4.340 0.006 0.000 0.245 273 R C 0.960 177.196 176.300 -0.107 0.000 1.137 273 R CA 1.818 57.837 56.100 -0.134 0.000 0.947 273 R CB -1.103 29.136 30.300 -0.102 0.000 0.865 273 R HN 0.663 nan 8.270 nan 0.000 0.437 274 G N 1.627 110.386 108.800 -0.068 0.000 2.883 274 G HA2 0.196 4.160 3.960 0.006 0.000 0.285 274 G HA3 0.196 4.160 3.960 0.006 0.000 0.285 274 G C -1.296 173.579 174.900 -0.042 0.000 1.526 274 G CA -0.628 44.444 45.100 -0.046 0.000 1.062 274 G HN -0.054 nan 8.290 nan 0.000 0.550 275 D N 1.251 121.620 120.400 -0.052 0.000 2.586 275 D HA 0.295 4.938 4.640 0.006 0.000 0.234 275 D C 1.208 177.485 176.300 -0.039 0.000 1.132 275 D CA 1.736 55.704 54.000 -0.053 0.000 0.860 275 D CB 1.802 42.569 40.800 -0.055 0.000 1.159 275 D HN 0.669 nan 8.370 nan 0.000 0.490 276 G N 1.435 110.206 108.800 -0.048 0.000 4.320 276 G HA2 0.054 4.017 3.960 0.006 0.000 0.150 276 G HA3 0.054 4.017 3.960 0.006 0.000 0.150 276 G C 0.661 175.523 174.900 -0.063 0.000 0.889 276 G CA 0.057 45.130 45.100 -0.044 0.000 0.877 276 G HN 0.679 nan 8.290 nan 0.000 0.425 277 G N 0.896 109.659 108.800 -0.063 0.000 2.272 277 G HA2 0.418 4.381 3.960 0.006 0.000 0.247 277 G HA3 0.418 4.381 3.960 0.006 0.000 0.247 277 G C -0.217 174.610 174.900 -0.120 0.000 1.272 277 G CA 0.303 45.357 45.100 -0.076 0.000 0.921 277 G HN 0.411 nan 8.290 nan 0.000 0.495 278 I N 2.181 122.653 120.570 -0.163 0.000 2.433 278 I HA 0.253 4.427 4.170 0.006 0.000 0.292 278 I C 0.043 176.003 176.117 -0.260 0.000 1.001 278 I CA -0.686 60.479 61.300 -0.226 0.000 1.119 278 I CB 1.992 39.845 38.000 -0.245 0.000 1.289 278 I HN 0.170 nan 8.210 nan 0.000 0.438 279 L N 6.792 127.832 121.223 -0.305 0.000 2.305 279 L HA 0.479 4.822 4.340 0.006 0.000 0.281 279 L C 0.021 176.742 176.870 -0.250 0.000 1.085 279 L CA -0.255 54.428 54.840 -0.262 0.000 0.813 279 L CB 0.575 42.389 42.059 -0.408 0.000 1.157 279 L HN 0.573 nan 8.230 nan 0.000 0.436 280 R N 1.016 121.579 120.500 0.104 0.000 2.807 280 R HA 0.395 4.738 4.340 0.006 0.000 0.276 280 R C -1.089 175.565 176.300 0.590 0.000 0.979 280 R CA -0.935 55.319 56.100 0.257 0.000 0.928 280 R CB 1.968 32.200 30.300 -0.113 0.000 1.191 280 R HN 0.642 nan 8.270 nan 0.000 0.471 281 D N -0.031 120.695 120.400 0.543 0.000 2.530 281 D HA 0.017 4.660 4.640 0.006 0.000 0.282 281 D C 0.910 177.480 176.300 0.450 0.000 1.204 281 D CA -0.717 53.505 54.000 0.370 0.000 1.093 281 D CB -0.109 40.916 40.800 0.374 0.000 1.154 281 D HN 0.155 nan 8.370 nan 0.000 0.593 282 V N -0.330 119.745 119.914 0.267 0.000 2.594 282 V HA -0.154 3.970 4.120 0.006 0.000 0.253 282 V C 0.548 176.831 176.094 0.315 0.000 1.069 282 V CA 1.995 64.466 62.300 0.286 0.000 1.082 282 V CB -0.611 31.276 31.823 0.108 0.000 0.680 282 V HN 0.405 nan 8.190 nan 0.000 0.469 283 D N -0.355 120.221 120.400 0.293 0.000 2.328 283 D HA 0.216 4.859 4.640 0.006 0.000 0.221 283 D C 1.631 178.125 176.300 0.323 0.000 1.072 283 D CA 0.930 55.083 54.000 0.255 0.000 0.850 283 D CB 0.468 41.384 40.800 0.194 0.000 0.922 283 D HN 0.615 nan 8.370 nan 0.000 0.516 284 G N 1.485 110.547 108.800 0.437 0.000 2.159 284 G HA2 -0.299 3.664 3.960 0.006 0.000 0.256 284 G HA3 -0.299 3.664 3.960 0.006 0.000 0.256 284 G C 0.269 175.363 174.900 0.322 0.000 0.977 284 G CA 0.262 45.651 45.100 0.482 0.000 0.652 284 G HN 0.527 nan 8.290 nan 0.000 0.531 285 H N 0.698 119.916 119.070 0.247 0.000 2.722 285 H HA 0.505 5.065 4.556 0.006 0.000 0.328 285 H C 0.868 176.321 175.328 0.208 0.000 1.067 285 H CA -0.273 55.897 56.048 0.204 0.000 1.447 285 H CB 0.469 30.366 29.762 0.226 0.000 1.469 285 H HN 0.327 nan 8.280 nan 0.000 0.544 286 R N 5.605 125.828 120.500 -0.462 0.000 2.325 286 R HA 0.039 4.383 4.340 0.006 0.000 0.323 286 R C 0.099 175.947 176.300 -0.753 0.000 1.177 286 R CA -0.185 55.622 56.100 -0.488 0.000 1.018 286 R CB -0.385 29.711 30.300 -0.340 0.000 1.070 286 R HN 0.757 nan 8.270 nan 0.000 0.495 287 F N 2.764 122.392 119.950 -0.535 0.000 2.473 287 F HA 0.063 4.594 4.527 0.006 0.000 0.294 287 F C 1.424 177.179 175.800 -0.076 0.000 1.103 287 F CA -0.190 57.599 58.000 -0.352 0.000 1.442 287 F CB -0.228 38.453 39.000 -0.532 0.000 1.097 287 F HN 0.293 nan 8.300 nan 0.000 0.547 288 M N 1.503 120.728 119.600 -0.625 0.000 2.144 288 M HA -0.090 4.394 4.480 0.006 0.000 0.260 288 M C -0.661 175.613 176.300 -0.042 0.000 1.067 288 M CA 1.479 56.619 55.300 -0.267 0.000 1.095 288 M CB -2.405 29.953 32.600 -0.403 0.000 1.365 288 M HN 0.103 nan 8.290 nan 0.000 0.406 289 P HA -0.087 nan 4.420 nan 0.000 0.223 289 P C 0.765 178.067 177.300 0.002 0.000 1.151 289 P CA 0.998 64.074 63.100 -0.039 0.000 0.787 289 P CB -0.063 31.599 31.700 -0.063 0.000 0.788 290 D N -1.697 118.707 120.400 0.007 0.000 2.144 290 D HA -0.135 4.509 4.640 0.006 0.000 0.200 290 D C 1.516 177.711 176.300 -0.175 0.000 0.978 290 D CA 1.442 55.388 54.000 -0.090 0.000 0.833 290 D CB -0.523 40.180 40.800 -0.161 0.000 0.961 290 D HN 0.319 nan 8.370 nan 0.000 0.470 291 Y N 0.414 120.750 120.300 0.060 0.000 2.479 291 Y HA 0.158 4.712 4.550 0.006 0.000 0.283 291 Y C 0.768 176.690 175.900 0.037 0.000 1.109 291 Y CA 0.282 58.420 58.100 0.063 0.000 1.239 291 Y CB 0.573 39.087 38.460 0.090 0.000 1.108 291 Y HN -0.237 nan 8.280 nan 0.000 0.548 292 E N 0.211 120.515 120.200 0.174 0.000 3.037 292 E HA 0.230 4.583 4.350 0.006 0.000 0.220 292 E C -2.269 174.356 176.600 0.042 0.000 1.142 292 E CA -1.801 54.654 56.400 0.092 0.000 0.888 292 E CB 1.087 30.828 29.700 0.068 0.000 1.329 292 E HN 0.168 nan 8.360 nan 0.000 0.409 293 P HA -0.199 nan 4.420 nan 0.000 0.216 293 P C 0.936 178.241 177.300 0.008 0.000 1.153 293 P CA 1.455 64.563 63.100 0.013 0.000 0.858 293 P CB 0.646 32.353 31.700 0.013 0.000 0.789 294 E N -0.595 119.615 120.200 0.016 0.000 2.022 294 E HA -0.082 4.271 4.350 0.006 0.000 0.190 294 E C 1.862 178.466 176.600 0.006 0.000 0.973 294 E CA 1.219 57.627 56.400 0.014 0.000 0.816 294 E CB -0.739 28.975 29.700 0.023 0.000 0.781 294 E HN 0.028 nan 8.360 nan 0.000 0.456 295 K N 0.782 121.189 120.400 0.011 0.000 2.211 295 K HA 0.010 4.334 4.320 0.006 0.000 0.203 295 K C 0.489 177.072 176.600 -0.027 0.000 1.050 295 K CA 0.546 56.831 56.287 -0.002 0.000 0.945 295 K CB -0.132 32.372 32.500 0.007 0.000 0.732 295 K HN 0.019 nan 8.250 nan 0.000 0.451 296 K N -0.540 119.843 120.400 -0.029 0.000 1.939 296 K HA -0.324 4.000 4.320 0.006 0.000 0.165 296 K C 1.110 177.650 176.600 -0.099 0.000 1.508 296 K CA 1.912 58.160 56.287 -0.065 0.000 0.525 296 K CB -1.049 31.406 32.500 -0.075 0.000 0.615 296 K HN 0.019 nan 8.250 nan 0.000 0.888 297 E N 0.817 120.935 120.200 -0.137 0.000 2.204 297 E HA -0.075 4.279 4.350 0.006 0.000 0.195 297 E C 1.420 177.945 176.600 -0.126 0.000 0.990 297 E CA 1.178 57.482 56.400 -0.160 0.000 0.821 297 E CB -0.049 29.546 29.700 -0.175 0.000 0.750 297 E HN 0.322 nan 8.360 nan 0.000 0.477 298 L N 0.335 121.499 121.223 -0.098 0.000 2.645 298 L HA 0.203 4.547 4.340 0.006 0.000 0.235 298 L C 0.917 177.737 176.870 -0.083 0.000 1.150 298 L CA -0.555 54.230 54.840 -0.092 0.000 0.911 298 L CB -0.604 41.414 42.059 -0.068 0.000 1.077 298 L HN 0.041 nan 8.230 nan 0.000 0.438 299 A N -0.200 122.576 122.820 -0.074 0.000 2.346 299 A HA 0.166 4.489 4.320 0.006 0.000 0.255 299 A C 0.726 178.259 177.584 -0.085 0.000 1.113 299 A CA -0.095 51.912 52.037 -0.050 0.000 0.798 299 A CB 0.245 19.230 19.000 -0.024 0.000 1.073 299 A HN 0.157 nan 8.150 nan 0.000 0.502 300 S N -0.987 114.674 115.700 -0.065 0.000 2.546 300 S HA 0.043 4.517 4.470 0.006 0.000 0.290 300 S C 1.465 175.972 174.600 -0.156 0.000 1.290 300 S CA -0.161 57.959 58.200 -0.132 0.000 1.069 300 S CB -0.007 63.131 63.200 -0.102 0.000 0.846 300 S HN 0.607 nan 8.310 nan 0.000 0.495 301 R N 2.748 123.109 120.500 -0.231 0.000 2.139 301 R HA -0.171 4.173 4.340 0.006 0.000 0.243 301 R C 1.661 177.850 176.300 -0.185 0.000 1.145 301 R CA 2.015 57.969 56.100 -0.243 0.000 0.976 301 R CB -0.389 29.704 30.300 -0.344 0.000 0.866 301 R HN 0.791 nan 8.270 nan 0.000 0.449 302 D N -0.120 120.178 120.400 -0.170 0.000 2.104 302 D HA -0.132 4.511 4.640 0.006 0.000 0.194 302 D C 1.713 177.989 176.300 -0.039 0.000 0.994 302 D CA 1.109 55.058 54.000 -0.085 0.000 0.830 302 D CB 0.203 40.978 40.800 -0.042 0.000 0.959 302 D HN -0.051 nan 8.370 nan 0.000 0.452 303 V N -0.231 119.678 119.914 -0.007 0.000 2.379 303 V HA -0.176 3.947 4.120 0.006 0.000 0.245 303 V C 2.585 178.654 176.094 -0.042 0.000 1.044 303 V CA 1.144 63.450 62.300 0.011 0.000 1.036 303 V CB -0.314 31.540 31.823 0.051 0.000 0.664 303 V HN 0.164 nan 8.190 nan 0.000 0.453 304 V N 0.021 119.891 119.914 -0.074 0.000 2.332 304 V HA -0.278 3.846 4.120 0.006 0.000 0.248 304 V C 2.575 178.621 176.094 -0.080 0.000 1.055 304 V CA 2.411 64.659 62.300 -0.087 0.000 1.038 304 V CB -0.824 30.929 31.823 -0.117 0.000 0.651 304 V HN 0.553 nan 8.190 nan 0.000 0.450 305 S N -0.544 115.094 115.700 -0.104 0.000 2.356 305 S HA -0.203 4.271 4.470 0.006 0.000 0.223 305 S C 2.106 176.615 174.600 -0.152 0.000 1.032 305 S CA 1.644 59.772 58.200 -0.121 0.000 1.005 305 S CB -0.294 62.819 63.200 -0.146 0.000 0.867 305 S HN 0.556 nan 8.310 nan 0.000 0.449 306 R N 0.850 121.247 120.500 -0.173 0.000 2.070 306 R HA 0.040 4.383 4.340 0.006 0.000 0.233 306 R C 2.524 178.829 176.300 0.009 0.000 1.137 306 R CA 1.080 57.087 56.100 -0.155 0.000 0.945 306 R CB -0.215 30.034 30.300 -0.086 0.000 0.845 306 R HN 0.162 nan 8.270 nan 0.000 0.430 307 R N 0.550 121.005 120.500 -0.076 0.000 2.105 307 R HA -0.086 4.257 4.340 0.006 0.000 0.239 307 R C 2.162 178.352 176.300 -0.183 0.000 1.135 307 R CA 1.533 57.476 56.100 -0.261 0.000 0.967 307 R CB -0.569 29.543 30.300 -0.314 0.000 0.861 307 R HN 0.361 nan 8.270 nan 0.000 0.442 308 M N -0.170 119.414 119.600 -0.025 0.000 2.159 308 M HA -0.109 4.374 4.480 0.006 0.000 0.263 308 M C 1.930 178.208 176.300 -0.037 0.000 1.063 308 M CA 1.226 56.541 55.300 0.025 0.000 1.110 308 M CB -0.164 32.469 32.600 0.055 0.000 1.374 308 M HN -0.028 nan 8.290 nan 0.000 0.411 309 I N 0.161 120.727 120.570 -0.006 0.000 2.286 309 I HA -0.181 3.993 4.170 0.006 0.000 0.245 309 I C 2.101 178.248 176.117 0.051 0.000 1.104 309 I CA 1.529 62.854 61.300 0.042 0.000 1.397 309 I CB -1.270 36.815 38.000 0.141 0.000 1.072 309 I HN 0.360 nan 8.210 nan 0.000 0.417 310 E N -0.096 120.147 120.200 0.072 0.000 2.058 310 E HA -0.295 4.059 4.350 0.006 0.000 0.194 310 E C 2.192 178.791 176.600 -0.001 0.000 0.997 310 E CA 1.543 57.946 56.400 0.005 0.000 0.801 310 E CB -0.249 29.441 29.700 -0.017 0.000 0.746 310 E HN 0.473 nan 8.360 nan 0.000 0.450 311 H N 0.368 119.333 119.070 -0.175 0.000 2.387 311 H HA -0.054 4.505 4.556 0.006 0.000 0.299 311 H C 1.852 177.067 175.328 -0.188 0.000 1.090 311 H CA 1.418 57.361 56.048 -0.174 0.000 1.332 311 H CB -0.005 29.457 29.762 -0.500 0.000 1.386 311 H HN 0.109 nan 8.280 nan 0.000 0.516 312 I N -0.295 120.182 120.570 -0.154 0.000 2.353 312 I HA -0.191 3.983 4.170 0.006 0.000 0.248 312 I C 2.159 178.185 176.117 -0.152 0.000 1.119 312 I CA 0.980 62.169 61.300 -0.183 0.000 1.417 312 I CB -0.194 37.720 38.000 -0.144 0.000 1.078 312 I HN 0.213 nan 8.210 nan 0.000 0.421 313 R N 0.826 121.261 120.500 -0.108 0.000 2.235 313 R HA -0.126 4.218 4.340 0.006 0.000 0.213 313 R C 1.915 178.154 176.300 -0.102 0.000 1.059 313 R CA 0.576 56.619 56.100 -0.095 0.000 0.997 313 R CB -0.219 30.028 30.300 -0.089 0.000 0.884 313 R HN 0.281 nan 8.270 nan 0.000 0.462 314 K N 0.288 120.612 120.400 -0.127 0.000 2.487 314 K HA -0.021 4.302 4.320 0.006 0.000 0.192 314 K C 0.557 177.059 176.600 -0.164 0.000 1.027 314 K CA 0.627 56.837 56.287 -0.128 0.000 1.054 314 K CB 0.256 32.683 32.500 -0.121 0.000 0.824 314 K HN 0.263 nan 8.250 nan 0.000 0.510 315 G N 1.745 110.444 108.800 -0.169 0.000 2.143 315 G HA2 -0.265 3.699 3.960 0.006 0.000 0.248 315 G HA3 -0.265 3.699 3.960 0.006 0.000 0.248 315 G C 0.435 175.222 174.900 -0.187 0.000 0.991 315 G CA 0.602 45.612 45.100 -0.150 0.000 0.689 315 G HN 0.284 nan 8.290 nan 0.000 0.522 316 K N 0.719 120.935 120.400 -0.307 0.000 2.498 316 K HA 0.491 4.815 4.320 0.006 0.000 0.207 316 K C 1.348 177.800 176.600 -0.247 0.000 1.033 316 K CA 0.546 56.640 56.287 -0.322 0.000 1.138 316 K CB -0.152 31.964 32.500 -0.641 0.000 0.860 316 K HN 0.532 nan 8.250 nan 0.000 0.490 317 G N -0.444 108.220 108.800 -0.227 0.000 2.502 317 G HA2 0.407 4.370 3.960 0.006 0.000 0.305 317 G HA3 0.407 4.370 3.960 0.006 0.000 0.305 317 G C -0.941 173.807 174.900 -0.255 0.000 1.190 317 G CA -0.609 44.341 45.100 -0.250 0.000 0.933 317 G HN 0.029 nan 8.290 nan 0.000 0.503 318 V N 1.542 121.187 119.914 -0.448 0.000 2.465 318 V HA 0.238 4.362 4.120 0.006 0.000 0.279 318 V C -0.224 175.626 176.094 -0.406 0.000 1.045 318 V CA -0.806 61.213 62.300 -0.468 0.000 0.938 318 V CB 1.270 32.556 31.823 -0.896 0.000 0.986 318 V HN 0.611 nan 8.190 nan 0.000 0.467 319 Q N 3.117 122.823 119.800 -0.157 0.000 2.259 319 Q HA 0.639 4.982 4.340 0.006 0.000 0.249 319 Q C 0.043 176.070 176.000 0.046 0.000 0.914 319 Q CA -0.113 55.657 55.803 -0.055 0.000 0.904 319 Q CB 1.803 30.530 28.738 -0.019 0.000 1.213 319 Q HN 1.009 nan 8.270 nan 0.000 0.428 320 S N -0.136 115.630 115.700 0.110 0.000 2.615 320 S HA 0.487 4.961 4.470 0.006 0.000 0.269 320 S C -2.380 172.261 174.600 0.068 0.000 1.161 320 S CA -1.134 57.168 58.200 0.170 0.000 0.817 320 S CB 1.345 64.784 63.200 0.399 0.000 1.131 320 S HN 0.207 nan 8.310 nan 0.000 0.467 321 P HA 0.022 nan 4.420 nan 0.000 0.221 321 P C 0.112 177.207 177.300 -0.341 0.000 1.145 321 P CA 1.169 64.075 63.100 -0.323 0.000 0.795 321 P CB -0.187 31.157 31.700 -0.594 0.000 0.775 322 Y N -1.685 118.718 120.300 0.172 0.000 2.458 322 Y HA 0.472 5.026 4.550 0.006 0.000 0.256 322 Y C 1.574 177.695 175.900 0.368 0.000 1.159 322 Y CA 0.318 58.520 58.100 0.169 0.000 1.261 322 Y CB -0.016 38.417 38.460 -0.046 0.000 1.119 322 Y HN -0.073 nan 8.280 nan 0.000 0.524 323 G N -0.043 109.011 108.800 0.424 0.000 2.331 323 G HA2 -0.062 3.901 3.960 0.006 0.000 0.479 323 G HA3 -0.062 3.901 3.960 0.006 0.000 0.479 323 G C -1.304 173.686 174.900 0.150 0.000 1.262 323 G CA -1.207 44.075 45.100 0.303 0.000 1.029 323 G HN 0.008 nan 8.290 nan 0.000 0.487 324 Q N 0.386 120.156 119.800 -0.050 0.000 2.227 324 Q HA 0.637 4.980 4.340 0.006 0.000 0.245 324 Q C 0.275 175.977 176.000 -0.496 0.000 0.926 324 Q CA -0.659 55.002 55.803 -0.237 0.000 0.895 324 Q CB 1.635 30.259 28.738 -0.190 0.000 1.230 324 Q HN 0.853 nan 8.270 nan 0.000 0.450 325 H N -0.290 118.415 119.070 -0.608 0.000 2.984 325 H HA 0.617 5.177 4.556 0.006 0.000 0.277 325 H C -1.330 173.698 175.328 -0.500 0.000 1.502 325 H CA -0.846 54.781 56.048 -0.701 0.000 1.195 325 H CB 0.657 29.771 29.762 -1.080 0.000 1.866 325 H HN 0.518 nan 8.280 nan 0.000 0.594 326 L N -1.308 119.729 121.223 -0.311 0.000 2.177 326 L HA 0.489 4.832 4.340 0.006 0.000 0.255 326 L C -1.073 175.692 176.870 -0.175 0.000 1.065 326 L CA -0.942 53.738 54.840 -0.267 0.000 0.982 326 L CB 1.913 43.972 42.059 -0.001 0.000 1.559 326 L HN 0.488 nan 8.230 nan 0.000 0.492 327 W N 0.668 122.113 121.300 0.242 0.000 2.761 327 W HA 0.635 5.299 4.660 0.006 0.000 0.340 327 W C -1.075 175.498 176.519 0.089 0.000 1.072 327 W CA -0.502 56.990 57.345 0.244 0.000 1.215 327 W CB 1.805 31.461 29.460 0.327 0.000 1.420 327 W HN 0.018 nan 8.180 nan 0.000 0.519 328 L N 3.315 124.766 121.223 0.381 0.000 2.319 328 L HA 0.419 4.762 4.340 0.006 0.000 0.281 328 L C -1.044 175.854 176.870 0.048 0.000 1.005 328 L CA -0.288 54.635 54.840 0.138 0.000 0.828 328 L CB 0.906 43.050 42.059 0.141 0.000 1.227 328 L HN 0.340 nan 8.230 nan 0.000 0.415 329 D N 4.696 124.977 120.400 -0.198 0.000 2.381 329 D HA 0.334 4.978 4.640 0.006 0.000 0.235 329 D C 0.527 176.746 176.300 -0.135 0.000 1.068 329 D CA -0.420 53.384 54.000 -0.326 0.000 0.832 329 D CB 0.996 41.238 40.800 -0.930 0.000 1.101 329 D HN 0.482 nan 8.370 nan 0.000 0.515 330 I N 1.527 122.090 120.570 -0.012 0.000 4.154 330 I HA 0.104 4.277 4.170 0.006 0.000 0.334 330 I C 1.344 177.480 176.117 0.032 0.000 1.371 330 I CA 0.039 61.340 61.300 0.002 0.000 1.110 330 I CB -0.908 37.105 38.000 0.022 0.000 1.085 330 I HN 0.330 nan 8.210 nan 0.000 0.398 331 S N 2.272 118.018 115.700 0.077 0.000 2.420 331 S HA -0.136 4.338 4.470 0.006 0.000 0.237 331 S C 1.834 176.469 174.600 0.059 0.000 1.023 331 S CA 0.893 59.149 58.200 0.093 0.000 0.991 331 S CB -0.801 62.499 63.200 0.167 0.000 0.792 331 S HN 0.408 nan 8.310 nan 0.000 0.488 332 I N 1.503 122.094 120.570 0.035 0.000 2.908 332 I HA -0.075 4.098 4.170 0.006 0.000 0.271 332 I C 1.711 177.837 176.117 0.016 0.000 1.275 332 I CA 0.896 62.206 61.300 0.017 0.000 1.446 332 I CB -1.476 36.513 38.000 -0.018 0.000 1.092 332 I HN 0.452 nan 8.210 nan 0.000 0.482 333 L N -0.546 120.689 121.223 0.020 0.000 3.468 333 L HA 0.411 4.755 4.340 0.006 0.000 0.181 333 L C 1.764 178.648 176.870 0.024 0.000 1.344 333 L CA 0.596 55.448 54.840 0.021 0.000 1.236 333 L CB -1.244 40.826 42.059 0.017 0.000 1.635 333 L HN 0.119 nan 8.230 nan 0.000 0.759 334 G N 1.718 110.533 108.800 0.025 0.000 2.233 334 G HA2 -0.291 3.673 3.960 0.006 0.000 0.270 334 G HA3 -0.291 3.673 3.960 0.006 0.000 0.270 334 G C 0.188 175.097 174.900 0.016 0.000 1.011 334 G CA 1.053 46.166 45.100 0.023 0.000 0.762 334 G HN 0.730 nan 8.290 nan 0.000 0.511 335 R N -2.282 118.228 120.500 0.018 0.000 3.033 335 R HA 0.620 4.963 4.340 0.006 0.000 0.284 335 R C -0.356 175.959 176.300 0.026 0.000 0.997 335 R CA -0.563 55.543 56.100 0.011 0.000 0.851 335 R CB 0.424 30.721 30.300 -0.006 0.000 1.297 335 R HN 0.723 nan 8.270 nan 0.000 0.518 336 K N -0.471 119.938 120.400 0.015 0.000 1.837 336 K HA 0.310 4.633 4.320 0.006 0.000 0.274 336 K C -0.720 175.863 176.600 -0.028 0.000 0.572 336 K CA -0.816 55.520 56.287 0.082 0.000 0.405 336 K CB 0.362 32.967 32.500 0.175 0.000 1.832 336 K HN 0.601 nan 8.250 nan 0.000 0.614 337 H N -0.628 118.456 119.070 0.025 0.000 3.892 337 H HA 0.701 5.261 4.556 0.006 0.000 0.288 337 H C 0.259 175.604 175.328 0.028 0.000 1.526 337 H CA 0.072 56.136 56.048 0.027 0.000 1.387 337 H CB 0.602 30.384 29.762 0.034 0.000 0.780 337 H HN 0.512 nan 8.280 nan 0.000 0.713 338 I N -2.122 118.572 120.570 0.206 0.000 4.156 338 I HA 0.107 4.280 4.170 0.006 0.000 0.253 338 I C -0.332 175.846 176.117 0.102 0.000 0.971 338 I CA -0.181 61.188 61.300 0.114 0.000 1.605 338 I CB 1.027 39.073 38.000 0.077 0.000 1.089 338 I HN 0.737 nan 8.210 nan 0.000 0.375 339 E N 0.126 120.370 120.200 0.073 0.000 4.028 339 E HA -0.218 4.135 4.350 0.006 0.000 0.343 339 E C -0.354 176.284 176.600 0.063 0.000 0.700 339 E CA 0.990 57.423 56.400 0.055 0.000 1.288 339 E CB -0.677 29.075 29.700 0.086 0.000 1.677 339 E HN 0.723 nan 8.360 nan 0.000 0.424 340 T N -0.892 113.708 114.554 0.076 0.000 2.686 340 T HA 0.205 4.559 4.350 0.006 0.000 0.308 340 T C -1.934 172.810 174.700 0.074 0.000 1.667 340 T CA -0.298 61.853 62.100 0.087 0.000 0.987 340 T CB 0.688 69.639 68.868 0.138 0.000 1.652 340 T HN 0.297 nan 8.240 nan 0.000 0.496 341 N N 2.764 121.509 118.700 0.075 0.000 2.475 341 N HA 0.352 5.095 4.740 0.006 0.000 0.267 341 N C -0.582 174.961 175.510 0.055 0.000 1.169 341 N CA -0.181 52.905 53.050 0.059 0.000 0.947 341 N CB 0.634 39.155 38.487 0.056 0.000 1.061 341 N HN 0.623 nan 8.380 nan 0.000 0.466 342 L N 1.766 123.013 121.223 0.041 0.000 2.367 342 L HA 0.235 4.578 4.340 0.006 0.000 0.263 342 L C -1.150 175.735 176.870 0.024 0.000 1.533 342 L CA -0.553 54.305 54.840 0.030 0.000 0.761 342 L CB 0.267 42.348 42.059 0.037 0.000 0.943 342 L HN 0.654 nan 8.230 nan 0.000 0.526 343 R N -1.735 118.777 120.500 0.020 0.000 2.745 343 R HA 0.605 4.949 4.340 0.006 0.000 0.290 343 R C -1.077 175.236 176.300 0.020 0.000 1.260 343 R CA -0.586 55.525 56.100 0.019 0.000 1.045 343 R CB 0.754 31.066 30.300 0.019 0.000 1.257 343 R HN 0.002 nan 8.270 nan 0.000 0.400 344 D N 0.902 121.315 120.400 0.023 0.000 2.435 344 D HA -0.026 4.618 4.640 0.006 0.000 0.159 344 D C 1.348 177.676 176.300 0.048 0.000 1.452 344 D CA 0.367 54.388 54.000 0.034 0.000 1.417 344 D CB 0.152 40.963 40.800 0.019 0.000 2.058 344 D HN 0.101 nan 8.370 nan 0.000 0.311 345 V N 2.534 122.469 119.914 0.036 0.000 2.357 345 V HA -0.344 3.780 4.120 0.006 0.000 0.257 345 V C 2.508 178.636 176.094 0.058 0.000 1.082 345 V CA 2.189 64.516 62.300 0.045 0.000 1.078 345 V CB -0.673 31.169 31.823 0.033 0.000 0.663 345 V HN 0.284 nan 8.190 nan 0.000 0.455 346 Q N -0.883 118.940 119.800 0.038 0.000 2.061 346 Q HA -0.243 4.101 4.340 0.006 0.000 0.204 346 Q C 2.353 178.354 176.000 0.001 0.000 0.984 346 Q CA 1.655 57.470 55.803 0.020 0.000 0.846 346 Q CB -0.290 28.447 28.738 -0.002 0.000 0.902 346 Q HN 0.660 nan 8.270 nan 0.000 0.421 347 E N 0.657 120.865 120.200 0.013 0.000 2.085 347 E HA -0.174 4.180 4.350 0.006 0.000 0.194 347 E C 2.100 178.807 176.600 0.179 0.000 0.994 347 E CA 0.814 57.205 56.400 -0.015 0.000 0.801 347 E CB -0.245 29.563 29.700 0.181 0.000 0.743 347 E HN 0.341 nan 8.360 nan 0.000 0.453 348 I N 0.924 121.654 120.570 0.266 0.000 2.163 348 I HA -0.289 3.885 4.170 0.006 0.000 0.243 348 I C 2.574 178.918 176.117 0.380 0.000 1.085 348 I CA 0.962 62.498 61.300 0.394 0.000 1.347 348 I CB -1.508 36.605 38.000 0.188 0.000 1.044 348 I HN 0.136 nan 8.210 nan 0.000 0.408 349 C N 0.549 119.965 119.300 0.192 0.000 2.440 349 C HA -0.114 4.350 4.460 0.006 0.000 0.278 349 C C 2.685 177.736 174.990 0.102 0.000 1.295 349 C CA 0.517 59.627 59.018 0.153 0.000 1.738 349 C CB -0.960 26.845 27.740 0.109 0.000 1.987 349 C HN 0.521 nan 8.230 nan 0.000 0.492 350 E N -0.590 119.609 120.200 -0.002 0.000 2.076 350 E HA -0.138 4.216 4.350 0.006 0.000 0.190 350 E C 1.810 178.320 176.600 -0.151 0.000 0.979 350 E CA 1.166 57.490 56.400 -0.128 0.000 0.807 350 E CB -0.228 29.299 29.700 -0.288 0.000 0.761 350 E HN 0.697 nan 8.360 nan 0.000 0.454 351 Y N -0.758 119.493 120.300 -0.081 0.000 2.293 351 Y HA -0.125 4.428 4.550 0.006 0.000 0.291 351 Y C 1.593 177.140 175.900 -0.588 0.000 1.137 351 Y CA 0.997 58.875 58.100 -0.369 0.000 1.202 351 Y CB -0.044 38.086 38.460 -0.549 0.000 0.990 351 Y HN 0.041 nan 8.280 nan 0.000 0.537 352 F N -2.538 117.499 119.950 0.145 0.000 2.537 352 F HA 0.314 4.845 4.527 0.006 0.000 0.275 352 F C 2.251 178.079 175.800 0.047 0.000 0.947 352 F CA 0.493 58.539 58.000 0.075 0.000 1.238 352 F CB -1.001 38.030 39.000 0.052 0.000 1.071 352 F HN -0.222 nan 8.300 nan 0.000 0.749 353 A N 0.349 123.323 122.820 0.256 0.000 2.119 353 A HA 0.314 4.638 4.320 0.006 0.000 0.217 353 A C 1.798 179.452 177.584 0.116 0.000 1.153 353 A CA 0.974 53.111 52.037 0.165 0.000 0.692 353 A CB -1.506 17.594 19.000 0.166 0.000 0.799 353 A HN 0.772 nan 8.150 nan 0.000 0.458 354 G N -1.247 107.602 108.800 0.081 0.000 2.351 354 G HA2 -0.058 3.905 3.960 0.006 0.000 0.297 354 G HA3 -0.058 3.905 3.960 0.006 0.000 0.297 354 G C -0.303 174.615 174.900 0.030 0.000 1.054 354 G CA 0.651 45.770 45.100 0.032 0.000 1.123 354 G HN 1.305 nan 8.290 nan 0.000 0.512 355 I N -1.157 119.428 120.570 0.024 0.000 2.793 355 I HA 0.514 4.688 4.170 0.006 0.000 0.295 355 I C -1.469 174.656 176.117 0.014 0.000 1.610 355 I CA -1.670 59.644 61.300 0.022 0.000 0.986 355 I CB 2.050 40.084 38.000 0.056 0.000 1.402 355 I HN 0.140 nan 8.210 nan 0.000 0.500 356 D N 6.889 127.292 120.400 0.004 0.000 2.313 356 D HA 0.480 5.124 4.640 0.006 0.000 0.239 356 D C -1.983 174.339 176.300 0.036 0.000 1.142 356 D CA -1.945 52.058 54.000 0.004 0.000 0.847 356 D CB 1.902 42.695 40.800 -0.012 0.000 1.082 356 D HN 0.240 nan 8.370 nan 0.000 0.480 357 P HA -0.184 nan 4.420 nan 0.000 0.216 357 P C 0.804 178.155 177.300 0.085 0.000 1.154 357 P CA 1.371 64.521 63.100 0.084 0.000 0.865 357 P CB 0.123 31.865 31.700 0.069 0.000 0.789 358 A N -1.292 121.560 122.820 0.054 0.000 2.248 358 A HA -0.159 4.165 4.320 0.006 0.000 0.210 358 A C 1.695 179.309 177.584 0.051 0.000 1.174 358 A CA 1.414 53.480 52.037 0.049 0.000 0.750 358 A CB -0.789 18.227 19.000 0.026 0.000 0.780 358 A HN 0.253 nan 8.150 nan 0.000 0.478 359 E N -0.863 119.367 120.200 0.049 0.000 2.870 359 E HA 0.143 4.497 4.350 0.006 0.000 0.185 359 E C 0.066 176.668 176.600 0.002 0.000 1.084 359 E CA -0.167 56.243 56.400 0.018 0.000 1.246 359 E CB 0.258 29.950 29.700 -0.014 0.000 1.382 359 E HN 0.315 nan 8.360 nan 0.000 0.492 360 K N 0.705 121.101 120.400 -0.007 0.000 2.106 360 K HA 0.250 4.573 4.320 0.006 0.000 0.246 360 K C -0.764 175.923 176.600 0.146 0.000 0.987 360 K CA -0.682 55.555 56.287 -0.083 0.000 0.904 360 K CB 0.883 33.324 32.500 -0.098 0.000 1.071 360 K HN -0.018 nan 8.250 nan 0.000 0.453 361 W N 0.480 121.712 121.300 -0.114 0.000 2.313 361 W HA 0.407 5.070 4.660 0.006 0.000 0.328 361 W C 0.129 176.783 176.519 0.225 0.000 1.197 361 W CA -1.317 56.024 57.345 -0.008 0.000 1.235 361 W CB 0.330 29.692 29.460 -0.164 0.000 1.158 361 W HN 0.530 nan 8.180 nan 0.000 0.578 362 A N 5.559 128.704 122.820 0.541 0.000 2.301 362 A HA 0.604 4.927 4.320 0.006 0.000 0.298 362 A C -2.174 175.756 177.584 0.578 0.000 1.185 362 A CA -1.500 50.818 52.037 0.469 0.000 0.830 362 A CB 0.071 19.237 19.000 0.277 0.000 1.112 362 A HN 0.285 nan 8.150 nan 0.000 0.508 363 P HA 0.370 nan 4.420 nan 0.000 0.281 363 P C -0.510 176.852 177.300 0.102 0.000 1.252 363 P CA 0.054 63.201 63.100 0.079 0.000 0.778 363 P CB 1.182 32.691 31.700 -0.317 0.000 0.895 364 V N 1.530 121.503 119.914 0.098 0.000 3.159 364 V HA 0.848 4.971 4.120 0.006 0.000 0.308 364 V C -1.231 174.896 176.094 0.055 0.000 1.190 364 V CA -1.202 61.169 62.300 0.119 0.000 1.037 364 V CB 2.149 34.048 31.823 0.127 0.000 1.060 364 V HN 0.472 nan 8.190 nan 0.000 0.437 365 L N 1.933 123.211 121.223 0.092 0.000 2.592 365 L HA 0.783 5.127 4.340 0.006 0.000 0.258 365 L C -3.036 173.898 176.870 0.107 0.000 0.926 365 L CA -1.119 53.747 54.840 0.044 0.000 0.885 365 L CB 2.646 44.696 42.059 -0.016 0.000 1.380 365 L HN 0.583 nan 8.230 nan 0.000 0.415 366 P HA 0.361 nan 4.420 nan 0.000 0.266 366 P C -1.034 176.385 177.300 0.199 0.000 1.195 366 P CA 0.305 63.471 63.100 0.111 0.000 0.768 366 P CB 0.523 32.232 31.700 0.016 0.000 0.838 367 M N 0.773 120.530 119.600 0.262 0.000 2.618 367 M HA 0.267 4.751 4.480 0.006 0.000 0.281 367 M C -0.199 176.165 176.300 0.107 0.000 1.267 367 M CA -1.133 54.313 55.300 0.245 0.000 0.845 367 M CB 1.953 34.629 32.600 0.125 0.000 1.732 367 M HN 0.246 nan 8.290 nan 0.000 0.461 368 Q N 1.233 120.872 119.800 -0.267 0.000 2.349 368 Q HA -0.053 4.290 4.340 0.006 0.000 0.287 368 Q C -0.831 174.986 176.000 -0.305 0.000 1.044 368 Q CA 1.408 56.714 55.803 -0.829 0.000 0.918 368 Q CB 0.605 28.757 28.738 -0.977 0.000 1.242 368 Q HN 0.833 nan 8.270 nan 0.000 0.405 369 H N 2.721 121.541 119.070 -0.417 0.000 2.276 369 H HA 0.197 4.757 4.556 0.006 0.000 0.199 369 H C -1.246 174.022 175.328 -0.100 0.000 0.867 369 H CA 0.251 56.204 56.048 -0.159 0.000 0.948 369 H CB 0.512 30.273 29.762 -0.001 0.000 1.251 369 H HN 0.580 nan 8.280 nan 0.000 0.388 370 Y N 0.397 120.481 120.300 -0.360 0.000 2.545 370 Y HA 0.598 5.151 4.550 0.006 0.000 0.348 370 Y C -1.027 174.626 175.900 -0.412 0.000 1.002 370 Y CA -1.077 56.779 58.100 -0.405 0.000 1.039 370 Y CB 2.257 40.521 38.460 -0.328 0.000 1.271 370 Y HN 0.005 nan 8.280 nan 0.000 0.467 371 S N 5.893 120.810 115.700 -1.306 0.000 2.505 371 S HA 0.181 4.654 4.470 0.006 0.000 0.280 371 S C 0.602 174.718 174.600 -0.805 0.000 1.197 371 S CA -0.621 56.972 58.200 -1.011 0.000 1.138 371 S CB 0.593 63.051 63.200 -1.236 0.000 1.010 371 S HN 0.805 nan 8.310 nan 0.000 0.480 372 M N 2.334 121.738 119.600 -0.328 0.000 2.108 372 M HA 0.018 4.501 4.480 0.006 0.000 0.261 372 M C 1.661 177.932 176.300 -0.049 0.000 1.066 372 M CA 1.043 56.312 55.300 -0.052 0.000 1.107 372 M CB -0.727 31.861 32.600 -0.020 0.000 1.356 372 M HN 0.693 nan 8.290 nan 0.000 0.406 373 G N -0.932 107.845 108.800 -0.038 0.000 2.699 373 G HA2 0.448 4.412 3.960 0.006 0.000 0.246 373 G HA3 0.448 4.412 3.960 0.006 0.000 0.246 373 G C 0.184 175.151 174.900 0.111 0.000 1.219 373 G CA -0.009 45.123 45.100 0.053 0.000 0.866 373 G HN 0.645 nan 8.290 nan 0.000 0.572 374 G N -1.262 107.584 108.800 0.077 0.000 2.333 374 G HA2 0.319 4.283 3.960 0.006 0.000 0.288 374 G HA3 0.319 4.283 3.960 0.006 0.000 0.288 374 G C -0.790 174.112 174.900 0.003 0.000 1.286 374 G CA -0.949 44.185 45.100 0.056 0.000 0.865 374 G HN 0.737 nan 8.290 nan 0.000 0.506 375 I N 1.104 121.665 120.570 -0.016 0.000 2.598 375 I HA 0.188 4.361 4.170 0.006 0.000 0.284 375 I C 0.984 177.088 176.117 -0.023 0.000 1.140 375 I CA -0.244 61.033 61.300 -0.039 0.000 1.420 375 I CB 0.724 38.687 38.000 -0.062 0.000 1.387 375 I HN 0.380 nan 8.210 nan 0.000 0.553 376 R N 5.751 126.235 120.500 -0.027 0.000 2.401 376 R HA 0.267 4.610 4.340 0.006 0.000 0.299 376 R C -0.277 176.008 176.300 -0.025 0.000 1.064 376 R CA -0.011 56.084 56.100 -0.008 0.000 1.000 376 R CB 0.414 30.706 30.300 -0.013 0.000 0.973 376 R HN 0.803 nan 8.270 nan 0.000 0.438 377 T N 0.048 114.613 114.554 0.017 0.000 2.864 377 T HA 0.533 4.887 4.350 0.006 0.000 0.289 377 T C -0.469 174.260 174.700 0.049 0.000 1.082 377 T CA -0.902 61.192 62.100 -0.009 0.000 1.009 377 T CB 1.373 70.246 68.868 0.009 0.000 1.234 377 T HN 0.530 nan 8.240 nan 0.000 0.526 378 D N -0.239 120.161 120.400 -0.000 0.000 2.511 378 D HA 0.144 4.788 4.640 0.006 0.000 0.276 378 D C 1.311 177.696 176.300 0.142 0.000 1.220 378 D CA -0.835 53.193 54.000 0.048 0.000 1.077 378 D CB -0.209 40.565 40.800 -0.043 0.000 1.126 378 D HN 0.722 nan 8.370 nan 0.000 0.583 379 Y N -1.379 118.980 120.300 0.097 0.000 2.483 379 Y HA 0.110 4.663 4.550 0.006 0.000 0.291 379 Y C 1.742 177.852 175.900 0.350 0.000 1.143 379 Y CA 0.692 58.893 58.100 0.168 0.000 1.289 379 Y CB -0.388 38.101 38.460 0.049 0.000 0.983 379 Y HN 0.123 nan 8.280 nan 0.000 0.556 380 R N 0.426 120.578 120.500 -0.579 0.000 2.276 380 R HA 0.245 4.589 4.340 0.006 0.000 0.196 380 R C 1.538 177.887 176.300 0.083 0.000 0.961 380 R CA 0.631 56.406 56.100 -0.540 0.000 1.024 380 R CB 0.049 29.781 30.300 -0.946 0.000 0.940 380 R HN 0.607 nan 8.270 nan 0.000 0.480 381 G N 1.420 110.266 108.800 0.076 0.000 2.157 381 G HA2 -0.305 3.658 3.960 0.006 0.000 0.239 381 G HA3 -0.305 3.658 3.960 0.006 0.000 0.239 381 G C -0.186 174.630 174.900 -0.140 0.000 0.982 381 G CA 0.008 45.126 45.100 0.030 0.000 0.650 381 G HN 0.411 nan 8.290 nan 0.000 0.527 382 E N 0.572 120.509 120.200 -0.438 0.000 2.216 382 E HA 0.710 5.064 4.350 0.006 0.000 0.279 382 E C 0.835 177.150 176.600 -0.475 0.000 0.997 382 E CA -0.037 55.799 56.400 -0.940 0.000 0.817 382 E CB 0.954 29.960 29.700 -1.157 0.000 1.096 382 E HN 0.649 nan 8.360 nan 0.000 0.393 383 A N 3.966 126.527 122.820 -0.431 0.000 2.249 383 A HA 0.181 4.505 4.320 0.006 0.000 0.281 383 A C 0.941 178.392 177.584 -0.221 0.000 1.127 383 A CA -0.236 51.651 52.037 -0.250 0.000 0.833 383 A CB 0.566 19.441 19.000 -0.208 0.000 1.140 383 A HN 0.885 nan 8.150 nan 0.000 0.502 384 K N -1.236 119.073 120.400 -0.152 0.000 2.209 384 K HA -0.065 4.259 4.320 0.006 0.000 0.204 384 K C 0.152 176.672 176.600 -0.132 0.000 1.048 384 K CA 0.547 56.761 56.287 -0.121 0.000 0.940 384 K CB -0.279 32.169 32.500 -0.088 0.000 0.729 384 K HN 0.465 nan 8.250 nan 0.000 0.451 385 L N 2.995 124.122 121.223 -0.159 0.000 2.325 385 L HA 0.081 4.425 4.340 0.006 0.000 0.284 385 L C -0.704 176.056 176.870 -0.183 0.000 1.089 385 L CA 0.195 54.938 54.840 -0.163 0.000 0.836 385 L CB 0.548 42.496 42.059 -0.185 0.000 1.184 385 L HN -0.085 nan 8.230 nan 0.000 0.444 386 K N 4.617 124.930 120.400 -0.145 0.000 2.451 386 K HA 0.299 4.623 4.320 0.006 0.000 0.280 386 K C 1.018 177.543 176.600 -0.124 0.000 1.020 386 K CA 0.649 56.854 56.287 -0.137 0.000 1.008 386 K CB 0.297 32.772 32.500 -0.042 0.000 0.917 386 K HN 0.950 nan 8.250 nan 0.000 0.478 387 G N 1.693 110.371 108.800 -0.203 0.000 2.195 387 G HA2 -0.251 3.713 3.960 0.006 0.000 0.246 387 G HA3 -0.251 3.713 3.960 0.006 0.000 0.246 387 G C -0.346 174.574 174.900 0.033 0.000 0.984 387 G CA -0.042 44.989 45.100 -0.114 0.000 0.633 387 G HN 0.481 nan 8.290 nan 0.000 0.525 388 L N 1.296 122.435 121.223 -0.139 0.000 2.287 388 L HA 0.877 5.220 4.340 0.006 0.000 0.287 388 L C -0.566 176.158 176.870 -0.242 0.000 1.022 388 L CA -1.307 53.481 54.840 -0.085 0.000 0.814 388 L CB 0.428 42.403 42.059 -0.140 0.000 1.217 388 L HN 0.004 nan 8.230 nan 0.000 0.420 389 F N 2.580 122.410 119.950 -0.200 0.000 2.594 389 F HA 0.794 5.325 4.527 0.006 0.000 0.335 389 F C 0.385 176.022 175.800 -0.271 0.000 1.058 389 F CA -0.527 57.325 58.000 -0.247 0.000 0.981 389 F CB 2.195 40.991 39.000 -0.339 0.000 1.289 389 F HN 0.460 nan 8.300 nan 0.000 0.490 390 S N 0.417 116.076 115.700 -0.068 0.000 2.533 390 S HA 0.888 5.361 4.470 0.006 0.000 0.271 390 S C -1.646 172.847 174.600 -0.177 0.000 1.143 390 S CA -0.296 57.827 58.200 -0.128 0.000 0.891 390 S CB 1.323 64.459 63.200 -0.106 0.000 1.105 390 S HN 1.082 nan 8.310 nan 0.000 0.468 391 A N 2.086 124.792 122.820 -0.189 0.000 2.572 391 A HA 0.973 5.297 4.320 0.006 0.000 0.295 391 A C 0.401 177.898 177.584 -0.146 0.000 1.072 391 A CA 0.074 51.964 52.037 -0.245 0.000 0.691 391 A CB 0.722 19.557 19.000 -0.276 0.000 1.291 391 A HN 2.463 nan 8.150 nan 0.000 0.404 392 G N 0.291 109.022 108.800 -0.115 0.000 2.587 392 G HA2 -0.106 3.858 3.960 0.006 0.000 0.212 392 G HA3 -0.106 3.858 3.960 0.006 0.000 0.212 392 G C 0.662 175.587 174.900 0.042 0.000 1.327 392 G CA 0.715 45.810 45.100 -0.007 0.000 0.898 392 G HN 1.361 nan 8.290 nan 0.000 0.551 393 E N 0.029 120.253 120.200 0.040 0.000 2.204 393 E HA 0.059 4.412 4.350 0.006 0.000 0.195 393 E C 2.667 179.204 176.600 -0.105 0.000 0.990 393 E CA 1.789 58.154 56.400 -0.059 0.000 0.821 393 E CB -0.384 29.214 29.700 -0.170 0.000 0.750 393 E HN 1.047 nan 8.360 nan 0.000 0.477 394 A N 0.589 123.373 122.820 -0.060 0.000 2.121 394 A HA 0.201 4.524 4.320 0.006 0.000 0.218 394 A C 1.152 178.723 177.584 -0.021 0.000 1.154 394 A CA 0.914 52.927 52.037 -0.039 0.000 0.679 394 A CB -0.228 18.744 19.000 -0.047 0.000 0.795 394 A HN 0.336 nan 8.150 nan 0.000 0.458 395 A N -1.959 120.853 122.820 -0.014 0.000 2.269 395 A HA 0.516 4.840 4.320 0.006 0.000 0.327 395 A C -0.019 177.608 177.584 0.071 0.000 1.112 395 A CA 0.004 52.047 52.037 0.009 0.000 0.865 395 A CB 0.706 19.690 19.000 -0.027 0.000 1.227 395 A HN 0.743 nan 8.150 nan 0.000 0.498 396 C N 0.972 120.326 119.300 0.090 0.000 3.414 396 C HA 0.362 4.826 4.460 0.006 0.000 0.208 396 C C 0.667 175.768 174.990 0.184 0.000 1.422 396 C CA -0.860 58.228 59.018 0.116 0.000 1.437 396 C CB -1.709 26.066 27.740 0.058 0.000 1.850 396 C HN 0.914 nan 8.230 nan 0.000 0.481 397 W N 2.364 123.663 121.300 -0.003 0.000 2.388 397 W HA 0.127 4.791 4.660 0.005 0.000 0.294 397 W C 0.847 177.361 176.519 -0.008 0.000 1.212 397 W CA 1.964 59.308 57.345 -0.002 0.000 1.271 397 W CB -0.234 29.224 29.460 -0.003 0.000 1.126 397 W HN 0.690 nan 8.180 nan 0.000 0.535 398 D N -0.814 119.687 120.400 0.168 0.000 3.585 398 D HA -0.220 4.424 4.640 0.006 0.000 0.251 398 D C 0.606 176.806 176.300 -0.166 0.000 1.065 398 D CA 1.243 55.243 54.000 0.001 0.000 1.048 398 D CB -1.326 39.488 40.800 0.024 0.000 0.952 398 D HN 0.436 nan 8.370 nan 0.000 0.421 399 M N -1.448 117.964 119.600 -0.313 0.000 2.313 399 M HA 0.259 4.742 4.480 0.006 0.000 0.273 399 M C 0.831 176.848 176.300 -0.472 0.000 1.049 399 M CA -0.046 54.972 55.300 -0.469 0.000 1.004 399 M CB 0.559 32.763 32.600 -0.661 0.000 1.461 399 M HN 0.059 nan 8.290 nan 0.000 0.514 400 H N 0.982 119.986 119.070 -0.110 0.000 2.729 400 H HA 0.428 4.988 4.556 0.006 0.000 0.263 400 H C 1.617 176.908 175.328 -0.062 0.000 0.961 400 H CA 0.779 56.769 56.048 -0.097 0.000 1.217 400 H CB 0.181 29.926 29.762 -0.029 0.000 1.447 400 H HN 0.524 nan 8.280 nan 0.000 0.496 401 G N 1.520 110.356 108.800 0.060 0.000 2.622 401 G HA2 -0.358 3.606 3.960 0.006 0.000 0.307 401 G HA3 -0.358 3.606 3.960 0.006 0.000 0.307 401 G C 0.359 175.252 174.900 -0.012 0.000 1.226 401 G CA 0.757 45.913 45.100 0.094 0.000 0.997 401 G HN 0.343 nan 8.290 nan 0.000 0.551 402 F N 2.645 122.652 119.950 0.094 0.000 2.639 402 F HA 0.457 4.987 4.527 0.006 0.000 0.300 402 F C 1.033 176.899 175.800 0.110 0.000 1.109 402 F CA 0.259 58.328 58.000 0.114 0.000 1.335 402 F CB 0.352 39.430 39.000 0.130 0.000 1.014 402 F HN 0.353 nan 8.300 nan 0.000 0.537 403 N N 0.332 119.129 118.700 0.162 0.000 2.905 403 N HA 0.065 4.809 4.740 0.006 0.000 0.255 403 N C -0.925 174.577 175.510 -0.014 0.000 1.199 403 N CA -0.597 52.501 53.050 0.080 0.000 0.911 403 N CB 1.290 39.845 38.487 0.114 0.000 1.550 403 N HN -0.037 nan 8.380 nan 0.000 0.599 404 R N 2.866 123.307 120.500 -0.099 0.000 2.543 404 R HA 0.248 4.592 4.340 0.006 0.000 0.277 404 R C -0.808 175.366 176.300 -0.211 0.000 1.074 404 R CA -0.197 55.759 56.100 -0.241 0.000 1.076 404 R CB 0.623 30.502 30.300 -0.702 0.000 0.993 404 R HN 0.395 nan 8.270 nan 0.000 0.459 405 L N 3.377 124.512 121.223 -0.147 0.000 2.305 405 L HA 0.300 4.644 4.340 0.006 0.000 0.281 405 L C 0.279 177.070 176.870 -0.132 0.000 1.085 405 L CA 0.357 55.115 54.840 -0.135 0.000 0.813 405 L CB 1.283 43.316 42.059 -0.045 0.000 1.157 405 L HN 0.797 nan 8.230 nan 0.000 0.436 406 G N 3.061 111.751 108.800 -0.183 0.000 2.202 406 G HA2 0.385 4.349 3.960 0.006 0.000 0.251 406 G HA3 0.385 4.349 3.960 0.006 0.000 0.251 406 G C 0.879 175.851 174.900 0.120 0.000 1.219 406 G CA 0.372 45.387 45.100 -0.141 0.000 0.943 406 G HN 1.481 nan 8.290 nan 0.000 0.465 407 G N 1.972 110.934 108.800 0.271 0.000 2.194 407 G HA2 -0.290 3.674 3.960 0.006 0.000 0.236 407 G HA3 -0.290 3.674 3.960 0.006 0.000 0.236 407 G C 1.061 176.083 174.900 0.203 0.000 0.987 407 G CA 0.516 45.788 45.100 0.285 0.000 0.635 407 G HN 0.694 nan 8.290 nan 0.000 0.520 408 N N 0.389 119.170 118.700 0.136 0.000 2.416 408 N HA 0.008 4.752 4.740 0.006 0.000 0.177 408 N C 2.402 177.962 175.510 0.083 0.000 1.036 408 N CA 1.081 54.229 53.050 0.163 0.000 0.901 408 N CB 0.003 38.529 38.487 0.066 0.000 0.976 408 N HN 0.567 nan 8.380 nan 0.000 0.444 409 S N 0.026 115.688 115.700 -0.064 0.000 2.395 409 S HA -0.040 4.434 4.470 0.006 0.000 0.225 409 S C 1.972 176.626 174.600 0.090 0.000 1.027 409 S CA 0.332 58.479 58.200 -0.088 0.000 0.965 409 S CB -0.452 62.430 63.200 -0.530 0.000 0.812 409 S HN 0.057 nan 8.310 nan 0.000 0.482 410 V N 1.395 121.368 119.914 0.098 0.000 2.719 410 V HA -0.041 4.082 4.120 0.006 0.000 0.252 410 V C 2.631 178.837 176.094 0.186 0.000 1.065 410 V CA 1.783 64.160 62.300 0.129 0.000 1.086 410 V CB -0.222 31.666 31.823 0.109 0.000 0.700 410 V HN 0.617 nan 8.190 nan 0.000 0.467 411 S N -0.496 115.351 115.700 0.245 0.000 2.371 411 S HA -0.215 4.259 4.470 0.006 0.000 0.224 411 S C 2.026 176.895 174.600 0.449 0.000 1.029 411 S CA 1.831 60.248 58.200 0.362 0.000 0.978 411 S CB -0.310 63.203 63.200 0.522 0.000 0.833 411 S HN 0.802 nan 8.310 nan 0.000 0.466 412 E N 0.585 121.003 120.200 0.363 0.000 2.110 412 E HA -0.114 4.240 4.350 0.006 0.000 0.193 412 E C 2.075 178.801 176.600 0.209 0.000 0.988 412 E CA 1.012 57.595 56.400 0.305 0.000 0.804 412 E CB -0.412 29.384 29.700 0.161 0.000 0.745 412 E HN 0.558 nan 8.360 nan 0.000 0.458 413 A N 0.743 123.663 122.820 0.166 0.000 1.873 413 A HA -0.188 4.135 4.320 0.006 0.000 0.218 413 A C 2.423 180.053 177.584 0.077 0.000 1.193 413 A CA 1.929 54.024 52.037 0.097 0.000 0.629 413 A CB -0.835 18.225 19.000 0.100 0.000 0.826 413 A HN 0.243 nan 8.150 nan 0.000 0.447 414 V N -0.725 119.259 119.914 0.117 0.000 2.323 414 V HA -0.176 3.948 4.120 0.006 0.000 0.244 414 V C 2.557 178.690 176.094 0.065 0.000 1.041 414 V CA 1.723 64.080 62.300 0.095 0.000 1.025 414 V CB -0.709 31.182 31.823 0.114 0.000 0.656 414 V HN 0.356 nan 8.190 nan 0.000 0.451 415 V N 0.525 120.514 119.914 0.125 0.000 2.295 415 V HA -0.258 3.866 4.120 0.006 0.000 0.246 415 V C 2.728 178.867 176.094 0.075 0.000 1.049 415 V CA 2.142 64.513 62.300 0.118 0.000 1.024 415 V CB -1.083 30.929 31.823 0.315 0.000 0.648 415 V HN 0.554 nan 8.190 nan 0.000 0.447 416 A N 0.364 123.183 122.820 -0.000 0.000 1.969 416 A HA -0.057 4.267 4.320 0.006 0.000 0.218 416 A C 2.399 179.859 177.584 -0.206 0.000 1.169 416 A CA 1.754 53.572 52.037 -0.365 0.000 0.635 416 A CB -1.121 17.497 19.000 -0.637 0.000 0.810 416 A HN 0.538 nan 8.150 nan 0.000 0.445 417 G N -0.540 108.206 108.800 -0.091 0.000 2.422 417 G HA2 -0.211 3.753 3.960 0.006 0.000 0.218 417 G HA3 -0.211 3.753 3.960 0.006 0.000 0.218 417 G C 1.601 176.504 174.900 0.006 0.000 1.146 417 G CA 1.267 46.344 45.100 -0.039 0.000 0.769 417 G HN 0.491 nan 8.290 nan 0.000 0.547 418 M N -0.266 119.328 119.600 -0.009 0.000 2.098 418 M HA 0.162 4.646 4.480 0.006 0.000 0.262 418 M C 2.513 178.858 176.300 0.075 0.000 1.072 418 M CA 1.123 56.420 55.300 -0.005 0.000 1.133 418 M CB -0.259 32.180 32.600 -0.268 0.000 1.344 418 M HN 0.153 nan 8.290 nan 0.000 0.414 419 I N -0.592 119.999 120.570 0.036 0.000 2.141 419 I HA -0.213 3.961 4.170 0.006 0.000 0.236 419 I C 2.300 178.522 176.117 0.174 0.000 1.071 419 I CA 0.999 62.403 61.300 0.173 0.000 1.345 419 I CB -0.466 37.746 38.000 0.353 0.000 1.066 419 I HN 0.034 nan 8.210 nan 0.000 0.406 420 V N 1.383 121.370 119.914 0.121 0.000 2.469 420 V HA -0.227 3.897 4.120 0.006 0.000 0.251 420 V C 2.578 178.739 176.094 0.113 0.000 1.064 420 V CA 2.067 64.454 62.300 0.146 0.000 1.066 420 V CB -1.579 30.184 31.823 -0.099 0.000 0.667 420 V HN 0.621 nan 8.190 nan 0.000 0.461 421 G N -0.360 108.482 108.800 0.071 0.000 2.440 421 G HA2 -0.236 3.728 3.960 0.006 0.000 0.218 421 G HA3 -0.236 3.728 3.960 0.006 0.000 0.218 421 G C 1.498 176.463 174.900 0.108 0.000 1.154 421 G CA 0.728 45.897 45.100 0.116 0.000 0.767 421 G HN 0.473 nan 8.290 nan 0.000 0.552 422 E N 0.229 120.461 120.200 0.054 0.000 2.051 422 E HA -0.103 4.250 4.350 0.006 0.000 0.192 422 E C 2.271 178.829 176.600 -0.069 0.000 0.991 422 E CA 0.865 57.233 56.400 -0.052 0.000 0.799 422 E CB -0.420 29.188 29.700 -0.154 0.000 0.748 422 E HN 0.572 nan 8.360 nan 0.000 0.449 423 Y N -0.332 120.036 120.300 0.115 0.000 2.242 423 Y HA -0.150 4.404 4.550 0.007 0.000 0.291 423 Y C 2.141 178.031 175.900 -0.017 0.000 1.137 423 Y CA 0.649 58.817 58.100 0.113 0.000 1.181 423 Y CB -0.611 37.969 38.460 0.200 0.000 0.989 423 Y HN 0.053 nan 8.280 nan 0.000 0.527 424 F N 0.406 120.195 119.950 -0.269 0.000 2.146 424 F HA -0.120 4.410 4.527 0.006 0.000 0.298 424 F C 2.278 177.913 175.800 -0.274 0.000 1.096 424 F CA 1.006 58.575 58.000 -0.719 0.000 1.275 424 F CB -0.820 37.793 39.000 -0.645 0.000 1.008 424 F HN -0.033 nan 8.300 nan 0.000 0.480 425 A N 0.068 122.770 122.820 -0.197 0.000 1.877 425 A HA -0.247 4.077 4.320 0.006 0.000 0.216 425 A C 2.282 179.776 177.584 -0.151 0.000 1.186 425 A CA 1.785 53.683 52.037 -0.231 0.000 0.620 425 A CB -1.143 17.798 19.000 -0.098 0.000 0.822 425 A HN 0.570 nan 8.150 nan 0.000 0.443 426 E N -0.896 119.279 120.200 -0.041 0.000 2.058 426 E HA -0.336 4.018 4.350 0.006 0.000 0.194 426 E C 1.891 178.506 176.600 0.025 0.000 0.997 426 E CA 1.744 58.157 56.400 0.021 0.000 0.801 426 E CB -0.346 29.423 29.700 0.115 0.000 0.746 426 E HN 0.833 nan 8.360 nan 0.000 0.450 427 H N -0.214 118.848 119.070 -0.012 0.000 2.319 427 H HA -0.136 4.423 4.556 0.006 0.000 0.299 427 H C 2.092 177.391 175.328 -0.048 0.000 1.092 427 H CA 2.442 58.513 56.048 0.038 0.000 1.302 427 H CB -0.563 29.293 29.762 0.157 0.000 1.373 427 H HN 0.268 nan 8.280 nan 0.000 0.497 428 C N 0.582 119.726 119.300 -0.260 0.000 2.422 428 C HA 0.035 4.498 4.460 0.006 0.000 0.279 428 C C 3.085 177.944 174.990 -0.219 0.000 1.305 428 C CA 0.944 59.781 59.018 -0.302 0.000 1.757 428 C CB -1.331 26.161 27.740 -0.413 0.000 1.962 428 C HN 0.810 nan 8.230 nan 0.000 0.499 429 A N 0.782 123.500 122.820 -0.170 0.000 1.930 429 A HA -0.099 4.225 4.320 0.006 0.000 0.215 429 A C 1.813 179.344 177.584 -0.088 0.000 1.176 429 A CA 1.439 53.413 52.037 -0.105 0.000 0.632 429 A CB -0.564 18.390 19.000 -0.077 0.000 0.819 429 A HN 0.782 nan 8.150 nan 0.000 0.445 430 N N -1.468 117.172 118.700 -0.101 0.000 2.405 430 N HA 0.013 4.757 4.740 0.006 0.000 0.175 430 N C 0.607 176.062 175.510 -0.090 0.000 1.051 430 N CA 0.404 53.413 53.050 -0.069 0.000 0.899 430 N CB 0.193 38.665 38.487 -0.025 0.000 1.000 430 N HN 0.321 nan 8.380 nan 0.000 0.451 431 T N 0.532 114.970 114.554 -0.193 0.000 2.882 431 T HA 0.149 4.502 4.350 0.006 0.000 0.287 431 T C -0.791 173.865 174.700 -0.073 0.000 1.014 431 T CA -0.120 61.882 62.100 -0.164 0.000 1.049 431 T CB 0.823 69.468 68.868 -0.372 0.000 1.001 431 T HN -0.110 nan 8.240 nan 0.000 0.525 432 Q N 2.156 121.951 119.800 -0.008 0.000 2.304 432 Q HA 0.534 4.878 4.340 0.006 0.000 0.270 432 Q C -1.185 174.850 176.000 0.058 0.000 1.035 432 Q CA -0.505 55.309 55.803 0.017 0.000 0.781 432 Q CB 2.083 30.827 28.738 0.011 0.000 1.261 432 Q HN 0.489 nan 8.270 nan 0.000 0.444 433 V N 1.636 121.587 119.914 0.062 0.000 2.769 433 V HA 0.363 4.487 4.120 0.006 0.000 0.312 433 V C -0.476 175.583 176.094 -0.058 0.000 1.058 433 V CA -0.675 61.663 62.300 0.063 0.000 0.952 433 V CB 2.188 34.090 31.823 0.131 0.000 1.019 433 V HN 0.623 nan 8.190 nan 0.000 0.445 434 D N 3.676 123.978 120.400 -0.164 0.000 2.454 434 D HA 0.320 4.964 4.640 0.006 0.000 0.225 434 D C -0.633 175.437 176.300 -0.383 0.000 1.081 434 D CA -0.216 53.669 54.000 -0.191 0.000 0.864 434 D CB 0.926 41.664 40.800 -0.103 0.000 1.040 434 D HN 0.355 nan 8.370 nan 0.000 0.517 435 L N 3.893 124.954 121.223 -0.271 0.000 2.282 435 L HA 0.270 4.613 4.340 0.006 0.000 0.287 435 L C 0.695 177.478 176.870 -0.145 0.000 1.075 435 L CA -0.341 54.345 54.840 -0.256 0.000 0.839 435 L CB 0.552 42.537 42.059 -0.123 0.000 1.219 435 L HN 0.139 nan 8.230 nan 0.000 0.434 436 E N 1.311 121.432 120.200 -0.131 0.000 2.194 436 E HA 0.081 4.434 4.350 0.006 0.000 0.284 436 E C 0.981 177.575 176.600 -0.010 0.000 1.035 436 E CA -0.187 56.183 56.400 -0.050 0.000 0.836 436 E CB 1.417 31.103 29.700 -0.023 0.000 1.070 436 E HN 0.603 nan 8.360 nan 0.000 0.401 437 T N 0.574 115.125 114.554 -0.006 0.000 2.881 437 T HA -0.213 4.141 4.350 0.006 0.000 0.270 437 T C 1.687 176.403 174.700 0.027 0.000 1.068 437 T CA 0.938 63.045 62.100 0.011 0.000 1.131 437 T CB 0.052 68.921 68.868 0.002 0.000 0.871 437 T HN 0.335 nan 8.240 nan 0.000 0.479 438 K N 0.946 121.360 120.400 0.022 0.000 2.057 438 K HA -0.100 4.224 4.320 0.006 0.000 0.207 438 K C 2.261 178.890 176.600 0.048 0.000 1.049 438 K CA 1.604 57.905 56.287 0.024 0.000 0.931 438 K CB -0.371 32.138 32.500 0.015 0.000 0.714 438 K HN 0.345 nan 8.250 nan 0.000 0.440 439 T N 1.559 116.162 114.554 0.081 0.000 2.857 439 T HA -0.015 4.339 4.350 0.006 0.000 0.266 439 T C 1.740 176.599 174.700 0.266 0.000 1.048 439 T CA 0.890 63.092 62.100 0.170 0.000 1.139 439 T CB -0.032 68.960 68.868 0.207 0.000 0.874 439 T HN 0.130 nan 8.240 nan 0.000 0.455 440 L N 0.774 122.101 121.223 0.173 0.000 2.017 440 L HA -0.099 4.244 4.340 0.006 0.000 0.208 440 L C 2.717 179.683 176.870 0.160 0.000 1.073 440 L CA 1.549 56.491 54.840 0.170 0.000 0.745 440 L CB -0.607 41.507 42.059 0.090 0.000 0.894 440 L HN 0.316 nan 8.230 nan 0.000 0.432 441 E N 0.073 120.331 120.200 0.096 0.000 2.110 441 E HA -0.265 4.088 4.350 0.006 0.000 0.193 441 E C 2.167 178.797 176.600 0.051 0.000 0.988 441 E CA 1.114 57.552 56.400 0.063 0.000 0.804 441 E CB -0.012 29.707 29.700 0.033 0.000 0.745 441 E HN 0.322 nan 8.360 nan 0.000 0.458 442 K N 0.400 120.818 120.400 0.030 0.000 2.002 442 K HA -0.171 4.153 4.320 0.006 0.000 0.209 442 K C 1.881 178.416 176.600 -0.108 0.000 1.048 442 K CA 1.367 57.606 56.287 -0.080 0.000 0.930 442 K CB -0.144 32.246 32.500 -0.184 0.000 0.714 442 K HN 0.022 nan 8.250 nan 0.000 0.438 443 F N 0.649 120.599 119.950 0.000 0.000 2.146 443 F HA -0.179 4.352 4.527 0.006 0.000 0.298 443 F C 2.288 178.097 175.800 0.016 0.000 1.096 443 F CA 0.861 58.865 58.000 0.005 0.000 1.275 443 F CB -0.382 38.627 39.000 0.015 0.000 1.008 443 F HN -0.147 nan 8.300 nan 0.000 0.480 444 V N 0.151 120.185 119.914 0.200 0.000 2.270 444 V HA -0.281 3.843 4.120 0.006 0.000 0.245 444 V C 2.178 178.319 176.094 0.078 0.000 1.043 444 V CA 1.877 64.252 62.300 0.124 0.000 1.014 444 V CB -0.570 31.311 31.823 0.097 0.000 0.645 444 V HN 0.260 nan 8.190 nan 0.000 0.447 445 K N 0.256 120.687 120.400 0.052 0.000 2.211 445 K HA -0.055 4.268 4.320 0.006 0.000 0.203 445 K C 2.207 178.823 176.600 0.026 0.000 1.050 445 K CA 1.209 57.515 56.287 0.031 0.000 0.945 445 K CB -0.543 31.966 32.500 0.014 0.000 0.732 445 K HN 0.552 nan 8.250 nan 0.000 0.451 446 G N 1.250 110.057 108.800 0.011 0.000 2.422 446 G HA2 -0.242 3.722 3.960 0.006 0.000 0.218 446 G HA3 -0.242 3.722 3.960 0.006 0.000 0.218 446 G C 1.457 176.391 174.900 0.056 0.000 1.146 446 G CA 0.418 45.515 45.100 -0.005 0.000 0.769 446 G HN 0.161 nan 8.290 nan 0.000 0.547 447 Q N 0.279 120.129 119.800 0.085 0.000 2.245 447 Q HA 0.022 4.365 4.340 0.006 0.000 0.201 447 Q C 2.388 178.449 176.000 0.103 0.000 0.955 447 Q CA 0.766 56.644 55.803 0.125 0.000 0.870 447 Q CB -0.094 28.701 28.738 0.094 0.000 0.945 447 Q HN 0.653 nan 8.270 nan 0.000 0.461 448 E N 0.755 120.996 120.200 0.068 0.000 2.072 448 E HA -0.098 4.256 4.350 0.006 0.000 0.191 448 E C 1.917 178.548 176.600 0.052 0.000 0.985 448 E CA 0.909 57.337 56.400 0.046 0.000 0.801 448 E CB -0.029 29.693 29.700 0.037 0.000 0.750 448 E HN 0.286 nan 8.360 nan 0.000 0.452 449 A N 0.986 123.846 122.820 0.067 0.000 1.898 449 A HA -0.209 4.115 4.320 0.006 0.000 0.216 449 A C 2.054 179.710 177.584 0.120 0.000 1.181 449 A CA 1.240 53.318 52.037 0.070 0.000 0.620 449 A CB -0.706 18.327 19.000 0.055 0.000 0.819 449 A HN 0.351 nan 8.150 nan 0.000 0.442 450 Y N 0.337 120.630 120.300 -0.013 0.000 2.128 450 Y HA -0.221 4.332 4.550 0.006 0.000 0.284 450 Y C 2.276 178.175 175.900 -0.002 0.000 1.154 450 Y CA 1.867 59.960 58.100 -0.011 0.000 1.149 450 Y CB -0.387 38.060 38.460 -0.023 0.000 0.976 450 Y HN 0.226 nan 8.280 nan 0.000 0.505 451 M N 0.235 119.783 119.600 -0.087 0.000 2.159 451 M HA -0.203 4.281 4.480 0.006 0.000 0.263 451 M C 2.212 178.460 176.300 -0.087 0.000 1.063 451 M CA 1.614 56.819 55.300 -0.158 0.000 1.110 451 M CB -1.176 31.378 32.600 -0.077 0.000 1.374 451 M HN 0.228 nan 8.290 nan 0.000 0.411 452 K N 0.433 120.817 120.400 -0.026 0.000 2.057 452 K HA -0.122 4.202 4.320 0.006 0.000 0.206 452 K C 2.152 178.744 176.600 -0.013 0.000 1.050 452 K CA 1.755 58.037 56.287 -0.010 0.000 0.935 452 K CB 0.081 32.588 32.500 0.011 0.000 0.715 452 K HN 0.402 nan 8.250 nan 0.000 0.439 453 S N 0.765 116.466 115.700 0.002 0.000 2.383 453 S HA -0.119 4.355 4.470 0.006 0.000 0.227 453 S C 2.015 176.601 174.600 -0.024 0.000 1.026 453 S CA 0.827 59.035 58.200 0.014 0.000 0.981 453 S CB -0.514 62.730 63.200 0.074 0.000 0.818 453 S HN 0.256 nan 8.310 nan 0.000 0.472 454 L N 0.929 122.099 121.223 -0.089 0.000 2.056 454 L HA -0.021 4.322 4.340 0.006 0.000 0.207 454 L C 2.706 179.532 176.870 -0.072 0.000 1.078 454 L CA 0.994 55.766 54.840 -0.113 0.000 0.749 454 L CB -0.656 41.275 42.059 -0.213 0.000 0.901 454 L HN 0.249 nan 8.230 nan 0.000 0.433 455 V N -0.234 119.643 119.914 -0.061 0.000 2.515 455 V HA -0.211 3.912 4.120 0.006 0.000 0.250 455 V C 2.074 178.152 176.094 -0.027 0.000 1.058 455 V CA 1.582 63.857 62.300 -0.041 0.000 1.064 455 V CB -0.394 31.411 31.823 -0.031 0.000 0.675 455 V HN 0.469 nan 8.190 nan 0.000 0.461 456 E N -0.327 119.861 120.200 -0.020 0.000 2.447 456 E HA 0.064 4.417 4.350 0.006 0.000 0.195 456 E C 1.116 177.710 176.600 -0.010 0.000 1.028 456 E CA 0.027 56.421 56.400 -0.010 0.000 0.876 456 E CB 0.249 29.947 29.700 -0.003 0.000 0.885 456 E HN 0.437 nan 8.360 nan 0.000 0.500 457 S N 1.333 117.024 115.700 -0.015 0.000 2.563 457 S HA -0.068 4.406 4.470 0.006 0.000 0.294 457 S C 0.639 175.231 174.600 -0.013 0.000 1.279 457 S CA 0.215 58.407 58.200 -0.013 0.000 1.069 457 S CB 0.384 63.572 63.200 -0.020 0.000 0.828 457 S HN 0.111 nan 8.310 nan 0.000 0.497 458 K N 3.698 124.093 120.400 -0.008 0.000 2.498 458 K HA 0.216 4.539 4.320 0.006 0.000 0.207 458 K C 1.032 177.628 176.600 -0.008 0.000 1.033 458 K CA -0.095 56.188 56.287 -0.007 0.000 1.138 458 K CB 0.258 32.756 32.500 -0.004 0.000 0.860 458 K HN 0.660 nan 8.250 nan 0.000 0.490 459 G N 1.076 109.869 108.800 -0.012 0.000 2.614 459 G HA2 -0.009 3.955 3.960 0.006 0.000 0.239 459 G HA3 -0.009 3.955 3.960 0.006 0.000 0.239 459 G C 0.841 175.734 174.900 -0.012 0.000 1.240 459 G CA -0.097 44.995 45.100 -0.014 0.000 0.842 459 G HN 0.242 nan 8.290 nan 0.000 0.584 460 T N -2.005 112.544 114.554 -0.010 0.000 3.054 460 T HA 0.213 4.567 4.350 0.006 0.000 0.255 460 T C 0.506 175.204 174.700 -0.004 0.000 1.035 460 T CA -0.206 61.891 62.100 -0.005 0.000 0.941 460 T CB 0.330 69.197 68.868 -0.001 0.000 1.026 460 T HN 0.362 nan 8.240 nan 0.000 0.533 461 E N 2.759 122.952 120.200 -0.011 0.000 2.398 461 E HA 0.173 4.527 4.350 0.006 0.000 0.263 461 E C -0.613 175.978 176.600 -0.015 0.000 1.046 461 E CA -0.036 56.357 56.400 -0.012 0.000 0.908 461 E CB 0.641 30.328 29.700 -0.021 0.000 0.963 461 E HN 0.395 nan 8.360 nan 0.000 0.431 462 D N 2.498 122.897 120.400 -0.002 0.000 2.329 462 D HA 0.037 4.681 4.640 0.006 0.000 0.232 462 D C 0.884 177.166 176.300 -0.030 0.000 1.088 462 D CA -0.437 53.566 54.000 0.006 0.000 0.835 462 D CB 1.583 42.417 40.800 0.056 0.000 1.078 462 D HN 0.136 nan 8.370 nan 0.000 0.495 463 V N 5.230 125.069 119.914 -0.125 0.000 2.324 463 V HA -0.266 3.858 4.120 0.006 0.000 0.250 463 V C 1.648 177.601 176.094 -0.235 0.000 1.060 463 V CA 1.741 63.901 62.300 -0.234 0.000 1.042 463 V CB -0.561 31.023 31.823 -0.399 0.000 0.650 463 V HN 0.526 nan 8.190 nan 0.000 0.450 464 F N 1.414 121.350 119.950 -0.024 0.000 2.146 464 F HA -0.100 4.431 4.527 0.006 0.000 0.298 464 F C 2.441 178.236 175.800 -0.007 0.000 1.096 464 F CA 2.033 60.022 58.000 -0.019 0.000 1.275 464 F CB -0.641 38.348 39.000 -0.019 0.000 1.008 464 F HN 0.300 nan 8.300 nan 0.000 0.480 465 K N 0.156 120.657 120.400 0.167 0.000 2.217 465 K HA -0.035 4.289 4.320 0.006 0.000 0.202 465 K C 1.920 178.560 176.600 0.066 0.000 1.051 465 K CA 1.416 57.766 56.287 0.105 0.000 0.952 465 K CB -0.543 32.005 32.500 0.080 0.000 0.736 465 K HN 0.277 nan 8.250 nan 0.000 0.453 466 I N 1.836 122.429 120.570 0.038 0.000 2.286 466 I HA -0.182 3.991 4.170 0.006 0.000 0.245 466 I C 2.690 178.822 176.117 0.024 0.000 1.104 466 I CA 1.112 62.424 61.300 0.021 0.000 1.397 466 I CB -0.109 37.889 38.000 -0.004 0.000 1.072 466 I HN 0.209 nan 8.210 nan 0.000 0.417 467 K N 1.281 121.692 120.400 0.019 0.000 2.097 467 K HA -0.150 4.174 4.320 0.006 0.000 0.205 467 K C 1.685 178.315 176.600 0.050 0.000 1.050 467 K CA 1.645 57.947 56.287 0.024 0.000 0.938 467 K CB -0.046 32.464 32.500 0.017 0.000 0.718 467 K HN 0.354 nan 8.250 nan 0.000 0.442 468 N N -0.189 118.557 118.700 0.075 0.000 2.270 468 N HA -0.138 4.606 4.740 0.006 0.000 0.181 468 N C 1.762 177.308 175.510 0.059 0.000 1.016 468 N CA 0.492 53.586 53.050 0.073 0.000 0.870 468 N CB 0.008 38.546 38.487 0.084 0.000 0.979 468 N HN 0.026 nan 8.380 nan 0.000 0.431 469 R N 1.704 122.236 120.500 0.054 0.000 2.092 469 R HA 0.007 4.351 4.340 0.006 0.000 0.231 469 R C 2.051 178.375 176.300 0.040 0.000 1.119 469 R CA 1.132 57.262 56.100 0.049 0.000 0.970 469 R CB -0.483 29.844 30.300 0.045 0.000 0.864 469 R HN 0.288 nan 8.270 nan 0.000 0.440 470 M N 0.319 119.937 119.600 0.031 0.000 2.086 470 M HA -0.201 4.283 4.480 0.006 0.000 0.261 470 M C 1.379 177.675 176.300 -0.007 0.000 1.067 470 M CA 1.995 57.302 55.300 0.011 0.000 1.116 470 M CB -0.150 32.453 32.600 0.005 0.000 1.348 470 M HN 0.046 nan 8.290 nan 0.000 0.407 471 K N 0.244 120.650 120.400 0.010 0.000 2.097 471 K HA -0.151 4.173 4.320 0.006 0.000 0.206 471 K C 1.604 178.232 176.600 0.047 0.000 1.049 471 K CA 1.649 57.946 56.287 0.016 0.000 0.933 471 K CB -0.337 32.193 32.500 0.049 0.000 0.717 471 K HN 0.441 nan 8.250 nan 0.000 0.442 472 D N 0.673 121.109 120.400 0.060 0.000 2.097 472 D HA -0.110 4.534 4.640 0.006 0.000 0.197 472 D C 2.060 178.405 176.300 0.075 0.000 0.984 472 D CA 0.983 55.031 54.000 0.081 0.000 0.826 472 D CB -0.191 40.655 40.800 0.076 0.000 0.973 472 D HN -0.073 nan 8.370 nan 0.000 0.460 473 V N 1.417 121.362 119.914 0.051 0.000 2.332 473 V HA -0.259 3.865 4.120 0.006 0.000 0.248 473 V C 2.507 178.623 176.094 0.037 0.000 1.055 473 V CA 1.221 63.551 62.300 0.049 0.000 1.038 473 V CB -0.334 31.511 31.823 0.037 0.000 0.651 473 V HN 0.207 nan 8.190 nan 0.000 0.450 474 M N -0.736 118.843 119.600 -0.035 0.000 2.117 474 M HA -0.144 4.339 4.480 0.006 0.000 0.262 474 M C 2.049 178.395 176.300 0.076 0.000 1.065 474 M CA 1.629 56.836 55.300 -0.155 0.000 1.114 474 M CB -1.340 30.920 32.600 -0.567 0.000 1.361 474 M HN 0.362 nan 8.290 nan 0.000 0.408 475 D N 0.606 121.120 120.400 0.191 0.000 2.097 475 D HA -0.147 4.496 4.640 0.006 0.000 0.197 475 D C 1.473 177.909 176.300 0.228 0.000 0.984 475 D CA 1.215 55.421 54.000 0.344 0.000 0.826 475 D CB -0.009 40.961 40.800 0.283 0.000 0.973 475 D HN 0.297 nan 8.370 nan 0.000 0.460 476 D N 0.226 120.717 120.400 0.152 0.000 2.117 476 D HA -0.068 4.576 4.640 0.006 0.000 0.198 476 D C 1.455 177.809 176.300 0.091 0.000 0.982 476 D CA 0.799 54.864 54.000 0.107 0.000 0.828 476 D CB -0.151 40.706 40.800 0.095 0.000 0.967 476 D HN 0.251 nan 8.370 nan 0.000 0.464 477 N N -0.303 118.468 118.700 0.119 0.000 2.250 477 N HA 0.030 4.774 4.740 0.006 0.000 0.190 477 N C 0.312 175.916 175.510 0.157 0.000 1.116 477 N CA 0.187 53.313 53.050 0.127 0.000 0.881 477 N CB 2.096 40.674 38.487 0.151 0.000 1.006 477 N HN 0.005 nan 8.380 nan 0.000 0.491 478 V N 0.500 120.540 119.914 0.211 0.000 2.804 478 V HA 0.419 4.543 4.120 0.006 0.000 0.360 478 V C 0.958 177.325 176.094 0.455 0.000 1.282 478 V CA -0.579 61.897 62.300 0.293 0.000 1.274 478 V CB 0.486 32.461 31.823 0.253 0.000 1.415 478 V HN 0.066 nan 8.190 nan 0.000 0.610 479 G N 0.026 108.984 108.800 0.262 0.000 2.773 479 G HA2 0.465 4.429 3.960 0.006 0.000 0.186 479 G HA3 0.465 4.429 3.960 0.006 0.000 0.186 479 G C 0.946 175.650 174.900 -0.327 0.000 1.411 479 G CA -0.525 44.599 45.100 0.038 0.000 1.054 479 G HN 0.188 nan 8.290 nan 0.000 0.579 480 I N -0.769 119.336 120.570 -0.775 0.000 2.264 480 I HA -0.039 4.134 4.170 0.006 0.000 0.248 480 I C 0.190 175.951 176.117 -0.593 0.000 1.111 480 I CA 0.998 61.822 61.300 -0.792 0.000 1.382 480 I CB -0.140 37.330 38.000 -0.883 0.000 1.060 480 I HN -0.048 nan 8.210 nan 0.000 0.418 481 F N 0.663 120.509 119.950 -0.173 0.000 2.467 481 F HA 0.522 5.052 4.527 0.006 0.000 0.336 481 F C 0.217 175.969 175.800 -0.079 0.000 1.123 481 F CA -0.670 57.262 58.000 -0.114 0.000 0.964 481 F CB 1.158 40.093 39.000 -0.109 0.000 1.136 481 F HN -0.237 nan 8.300 nan 0.000 0.447 482 R N 1.343 121.930 120.500 0.144 0.000 2.795 482 R HA 0.657 5.000 4.340 0.006 0.000 0.275 482 R C -1.737 174.627 176.300 0.106 0.000 0.981 482 R CA -1.168 54.994 56.100 0.104 0.000 0.917 482 R CB 2.485 32.843 30.300 0.095 0.000 1.202 482 R HN 0.710 nan 8.270 nan 0.000 0.469 483 D N -0.926 119.560 120.400 0.143 0.000 2.661 483 D HA 0.248 4.892 4.640 0.006 0.000 0.228 483 D C 0.685 177.096 176.300 0.185 0.000 1.210 483 D CA -0.876 53.222 54.000 0.163 0.000 0.826 483 D CB 1.296 42.199 40.800 0.171 0.000 1.542 483 D HN 0.393 nan 8.370 nan 0.000 0.447 484 G N 0.693 109.597 108.800 0.173 0.000 2.529 484 G HA2 -0.188 3.776 3.960 0.006 0.000 0.219 484 G HA3 -0.188 3.776 3.960 0.006 0.000 0.219 484 G C -0.832 174.132 174.900 0.106 0.000 1.177 484 G CA 1.054 46.243 45.100 0.149 0.000 0.773 484 G HN 0.520 nan 8.290 nan 0.000 0.573 485 P HA -0.108 nan 4.420 nan 0.000 0.215 485 P C 1.159 178.408 177.300 -0.084 0.000 1.157 485 P CA 1.478 64.558 63.100 -0.034 0.000 0.874 485 P CB -0.154 31.486 31.700 -0.100 0.000 0.790 486 H N -1.768 117.335 119.070 0.055 0.000 2.428 486 H HA 0.048 4.607 4.556 0.006 0.000 0.296 486 H C 1.912 177.280 175.328 0.065 0.000 1.062 486 H CA 0.817 56.899 56.048 0.057 0.000 1.350 486 H CB -0.869 28.929 29.762 0.060 0.000 1.403 486 H HN 0.030 nan 8.280 nan 0.000 0.533 487 L N 0.134 121.469 121.223 0.187 0.000 2.093 487 L HA -0.163 4.180 4.340 0.006 0.000 0.208 487 L C 2.431 179.360 176.870 0.098 0.000 1.085 487 L CA 1.254 56.179 54.840 0.141 0.000 0.755 487 L CB -0.202 41.941 42.059 0.139 0.000 0.904 487 L HN 0.269 nan 8.230 nan 0.000 0.435 488 E N 0.767 121.013 120.200 0.077 0.000 2.058 488 E HA -0.247 4.106 4.350 0.006 0.000 0.194 488 E C 2.105 178.730 176.600 0.043 0.000 0.997 488 E CA 1.624 58.054 56.400 0.051 0.000 0.801 488 E CB 0.086 29.806 29.700 0.033 0.000 0.746 488 E HN 0.288 nan 8.360 nan 0.000 0.450 489 K N -0.215 120.208 120.400 0.037 0.000 2.097 489 K HA -0.085 4.239 4.320 0.006 0.000 0.205 489 K C 2.362 178.995 176.600 0.056 0.000 1.050 489 K CA 1.337 57.645 56.287 0.035 0.000 0.938 489 K CB -0.137 32.374 32.500 0.018 0.000 0.718 489 K HN 0.192 nan 8.250 nan 0.000 0.442 490 S N 0.783 116.529 115.700 0.076 0.000 2.355 490 S HA -0.110 4.363 4.470 0.006 0.000 0.222 490 S C 2.195 176.830 174.600 0.059 0.000 1.031 490 S CA 1.077 59.321 58.200 0.073 0.000 0.993 490 S CB -0.728 62.524 63.200 0.087 0.000 0.859 490 S HN 0.008 nan 8.310 nan 0.000 0.453 491 V N 2.175 122.124 119.914 0.058 0.000 2.332 491 V HA -0.169 3.954 4.120 0.006 0.000 0.248 491 V C 2.823 178.947 176.094 0.050 0.000 1.055 491 V CA 2.264 64.594 62.300 0.050 0.000 1.038 491 V CB -0.807 31.043 31.823 0.045 0.000 0.651 491 V HN 0.410 nan 8.190 nan 0.000 0.450 492 K N 0.313 120.741 120.400 0.047 0.000 2.057 492 K HA -0.170 4.154 4.320 0.006 0.000 0.206 492 K C 2.167 178.799 176.600 0.054 0.000 1.050 492 K CA 1.678 57.992 56.287 0.046 0.000 0.935 492 K CB -0.290 32.232 32.500 0.037 0.000 0.715 492 K HN 0.544 nan 8.250 nan 0.000 0.439 493 E N -0.301 119.931 120.200 0.053 0.000 2.152 493 E HA -0.098 4.256 4.350 0.006 0.000 0.192 493 E C 1.821 178.460 176.600 0.065 0.000 0.983 493 E CA 0.643 57.076 56.400 0.055 0.000 0.818 493 E CB 0.047 29.779 29.700 0.052 0.000 0.758 493 E HN 0.224 nan 8.360 nan 0.000 0.467 494 L N 0.679 121.941 121.223 0.065 0.000 2.027 494 L HA -0.176 4.167 4.340 0.006 0.000 0.206 494 L C 2.679 179.621 176.870 0.121 0.000 1.074 494 L CA 1.541 56.426 54.840 0.075 0.000 0.745 494 L CB -0.464 41.627 42.059 0.052 0.000 0.898 494 L HN 0.231 nan 8.230 nan 0.000 0.433 495 E N 0.458 120.729 120.200 0.119 0.000 2.118 495 E HA -0.305 4.049 4.350 0.006 0.000 0.195 495 E C 2.088 178.797 176.600 0.182 0.000 0.992 495 E CA 1.567 58.069 56.400 0.170 0.000 0.804 495 E CB 0.017 29.787 29.700 0.117 0.000 0.741 495 E HN 0.462 nan 8.360 nan 0.000 0.458 496 E N -0.297 119.972 120.200 0.116 0.000 2.106 496 E HA -0.178 4.176 4.350 0.006 0.000 0.192 496 E C 2.054 178.704 176.600 0.082 0.000 0.984 496 E CA 0.573 57.025 56.400 0.086 0.000 0.806 496 E CB 0.059 29.795 29.700 0.060 0.000 0.750 496 E HN 0.234 nan 8.360 nan 0.000 0.458 497 L N 0.523 121.804 121.223 0.096 0.000 2.083 497 L HA -0.169 4.175 4.340 0.006 0.000 0.209 497 L C 2.206 179.140 176.870 0.108 0.000 1.083 497 L CA 1.589 56.479 54.840 0.083 0.000 0.752 497 L CB -1.173 40.934 42.059 0.080 0.000 0.899 497 L HN 0.322 nan 8.230 nan 0.000 0.433 498 Y N 0.555 120.875 120.300 0.033 0.000 2.181 498 Y HA -0.255 4.298 4.550 0.006 0.000 0.288 498 Y C 2.391 178.315 175.900 0.039 0.000 1.146 498 Y CA 1.786 59.908 58.100 0.036 0.000 1.164 498 Y CB -0.160 38.342 38.460 0.070 0.000 0.982 498 Y HN 0.156 nan 8.280 nan 0.000 0.515 499 K N 0.049 120.393 120.400 -0.093 0.000 2.148 499 K HA -0.118 4.206 4.320 0.006 0.000 0.204 499 K C 1.970 178.489 176.600 -0.135 0.000 1.050 499 K CA 1.586 57.771 56.287 -0.170 0.000 0.942 499 K CB -0.080 32.405 32.500 -0.025 0.000 0.724 499 K HN 0.277 nan 8.250 nan 0.000 0.446 500 K N 0.580 120.939 120.400 -0.067 0.000 2.228 500 K HA -0.050 4.274 4.320 0.006 0.000 0.202 500 K C 2.193 178.754 176.600 -0.066 0.000 1.051 500 K CA 1.300 57.558 56.287 -0.048 0.000 0.960 500 K CB 0.057 32.548 32.500 -0.014 0.000 0.743 500 K HN 0.135 nan 8.250 nan 0.000 0.458 501 S N 1.444 117.092 115.700 -0.086 0.000 2.442 501 S HA -0.125 4.349 4.470 0.006 0.000 0.236 501 S C 1.597 176.141 174.600 -0.093 0.000 1.007 501 S CA 0.991 59.145 58.200 -0.077 0.000 0.965 501 S CB -0.117 63.054 63.200 -0.048 0.000 0.773 501 S HN 0.201 nan 8.310 nan 0.000 0.504 502 K N 1.265 121.580 120.400 -0.142 0.000 2.487 502 K HA 0.212 4.536 4.320 0.006 0.000 0.192 502 K C 0.444 177.010 176.600 -0.056 0.000 1.027 502 K CA 0.313 56.538 56.287 -0.103 0.000 1.054 502 K CB -0.002 32.400 32.500 -0.163 0.000 0.824 502 K HN 0.351 nan 8.250 nan 0.000 0.510 503 N N 0.685 119.352 118.700 -0.055 0.000 2.338 503 N HA 0.066 4.809 4.740 0.006 0.000 0.251 503 N C -0.698 174.792 175.510 -0.034 0.000 1.199 503 N CA -0.002 53.027 53.050 -0.036 0.000 0.879 503 N CB 1.009 39.477 38.487 -0.031 0.000 1.159 503 N HN -0.133 nan 8.380 nan 0.000 0.514 504 V N 0.327 120.216 119.914 -0.043 0.000 2.881 504 V HA 0.540 4.664 4.120 0.006 0.000 0.303 504 V C 0.924 176.990 176.094 -0.046 0.000 1.070 504 V CA -0.277 61.992 62.300 -0.051 0.000 1.074 504 V CB 1.455 33.233 31.823 -0.076 0.000 1.012 504 V HN 0.268 nan 8.190 nan 0.000 0.482 505 G N 3.516 112.290 108.800 -0.044 0.000 2.638 505 G HA2 0.755 4.719 3.960 0.006 0.000 0.302 505 G HA3 0.755 4.719 3.960 0.006 0.000 0.302 505 G C -1.145 173.731 174.900 -0.041 0.000 1.365 505 G CA -0.641 44.437 45.100 -0.036 0.000 0.987 505 G HN 0.874 nan 8.290 nan 0.000 0.495 506 I N -1.518 119.028 120.570 -0.041 0.000 2.785 506 I HA 0.590 4.764 4.170 0.006 0.000 0.302 506 I C 0.458 176.563 176.117 -0.020 0.000 1.069 506 I CA -1.324 59.953 61.300 -0.038 0.000 1.045 506 I CB 2.725 40.687 38.000 -0.062 0.000 1.236 506 I HN 0.466 nan 8.210 nan 0.000 0.429 507 K N 1.550 121.946 120.400 -0.006 0.000 2.098 507 K HA 0.153 4.477 4.320 0.006 0.000 0.203 507 K C 0.212 176.806 176.600 -0.010 0.000 1.051 507 K CA 0.725 57.011 56.287 -0.001 0.000 0.957 507 K CB -0.057 32.450 32.500 0.011 0.000 0.738 507 K HN 0.580 nan 8.250 nan 0.000 0.447 508 N N 1.990 120.680 118.700 -0.016 0.000 2.408 508 N HA 0.018 4.762 4.740 0.006 0.000 0.257 508 N C 0.294 175.780 175.510 -0.039 0.000 1.064 508 N CA 0.122 53.154 53.050 -0.029 0.000 0.952 508 N CB 1.620 40.085 38.487 -0.036 0.000 1.093 508 N HN -0.071 nan 8.380 nan 0.000 0.490 509 K N 1.591 121.971 120.400 -0.033 0.000 2.400 509 K HA 0.017 4.340 4.320 0.006 0.000 0.194 509 K C 0.529 177.110 176.600 -0.032 0.000 1.033 509 K CA 0.182 56.452 56.287 -0.028 0.000 1.021 509 K CB 0.186 32.678 32.500 -0.013 0.000 0.808 509 K HN 0.583 nan 8.250 nan 0.000 0.505 510 R N -0.023 120.440 120.500 -0.061 0.000 2.784 510 R HA 0.026 4.369 4.340 0.006 0.000 0.266 510 R C 0.450 176.706 176.300 -0.074 0.000 1.044 510 R CA 0.192 56.243 56.100 -0.081 0.000 1.151 510 R CB 0.187 30.329 30.300 -0.262 0.000 1.037 510 R HN 0.011 nan 8.270 nan 0.000 0.478 511 L N 0.596 121.824 121.223 0.008 0.000 2.513 511 L HA 0.094 4.438 4.340 0.006 0.000 0.222 511 L C 0.832 177.742 176.870 0.065 0.000 1.096 511 L CA -0.222 54.641 54.840 0.038 0.000 0.857 511 L CB -0.308 41.793 42.059 0.070 0.000 1.026 511 L HN 0.723 nan 8.230 nan 0.000 0.469 512 H N -0.649 118.434 119.070 0.021 0.000 2.502 512 H HA 0.440 4.999 4.556 0.006 0.000 0.338 512 H C 0.483 175.826 175.328 0.025 0.000 1.155 512 H CA -0.415 55.648 56.048 0.025 0.000 1.237 512 H CB 1.220 30.994 29.762 0.020 0.000 1.534 512 H HN -0.032 nan 8.280 nan 0.000 0.523 513 A N 2.647 125.516 122.820 0.082 0.000 2.151 513 A HA -0.292 4.031 4.320 0.006 0.000 0.271 513 A C -0.018 177.526 177.584 -0.066 0.000 1.348 513 A CA 1.149 53.203 52.037 0.028 0.000 0.763 513 A CB -2.246 16.812 19.000 0.096 0.000 1.117 513 A HN 0.766 nan 8.150 nan 0.000 0.342 514 N N 0.372 119.038 118.700 -0.057 0.000 2.564 514 N HA 0.445 5.188 4.740 0.006 0.000 0.248 514 N C -1.802 173.681 175.510 -0.046 0.000 0.986 514 N CA -2.223 50.784 53.050 -0.071 0.000 0.921 514 N CB 1.417 39.851 38.487 -0.087 0.000 1.136 514 N HN 0.062 nan 8.380 nan 0.000 0.509 515 P HA -0.106 nan 4.420 nan 0.000 0.216 515 P C 0.976 178.252 177.300 -0.041 0.000 1.150 515 P CA 1.010 64.100 63.100 -0.015 0.000 0.837 515 P CB 0.580 32.298 31.700 0.031 0.000 0.786 516 E N -0.500 119.683 120.200 -0.029 0.000 2.106 516 E HA -0.133 4.220 4.350 0.006 0.000 0.192 516 E C 1.920 178.417 176.600 -0.171 0.000 0.984 516 E CA 0.556 56.910 56.400 -0.076 0.000 0.806 516 E CB -0.502 29.189 29.700 -0.015 0.000 0.750 516 E HN 0.121 nan 8.360 nan 0.000 0.458 517 L N 0.797 121.940 121.223 -0.134 0.000 2.093 517 L HA -0.187 4.156 4.340 0.006 0.000 0.208 517 L C 2.078 178.759 176.870 -0.315 0.000 1.085 517 L CA 1.471 56.230 54.840 -0.135 0.000 0.755 517 L CB -0.178 41.860 42.059 -0.034 0.000 0.904 517 L HN 0.221 nan 8.230 nan 0.000 0.435 518 E N -0.344 119.635 120.200 -0.369 0.000 2.049 518 E HA -0.260 4.094 4.350 0.006 0.000 0.198 518 E C 2.028 178.114 176.600 -0.856 0.000 1.007 518 E CA 1.524 57.471 56.400 -0.755 0.000 0.809 518 E CB 0.006 29.508 29.700 -0.330 0.000 0.749 518 E HN 0.442 nan 8.360 nan 0.000 0.450 519 E N 0.298 120.204 120.200 -0.490 0.000 2.110 519 E HA -0.183 4.171 4.350 0.006 0.000 0.193 519 E C 2.064 178.422 176.600 -0.404 0.000 0.988 519 E CA 1.012 57.152 56.400 -0.435 0.000 0.804 519 E CB -0.295 29.087 29.700 -0.530 0.000 0.745 519 E HN 0.271 nan 8.360 nan 0.000 0.458 520 A N 1.095 123.688 122.820 -0.379 0.000 1.978 520 A HA -0.200 4.124 4.320 0.006 0.000 0.220 520 A C 1.956 179.461 177.584 -0.132 0.000 1.170 520 A CA 1.770 53.664 52.037 -0.239 0.000 0.636 520 A CB -0.721 18.165 19.000 -0.190 0.000 0.810 520 A HN 0.463 nan 8.150 nan 0.000 0.448 521 Y N -2.628 117.603 120.300 -0.116 0.000 2.507 521 Y HA 0.365 4.919 4.550 0.006 0.000 0.263 521 Y C 1.964 177.871 175.900 0.013 0.000 1.093 521 Y CA 0.028 58.106 58.100 -0.036 0.000 1.285 521 Y CB -0.168 38.246 38.460 -0.077 0.000 1.115 521 Y HN 0.077 nan 8.280 nan 0.000 0.533 522 R N 0.586 121.002 120.500 -0.140 0.000 2.093 522 R HA 0.004 4.348 4.340 0.006 0.000 0.224 522 R C 2.075 178.359 176.300 -0.028 0.000 1.101 522 R CA 1.216 57.294 56.100 -0.036 0.000 0.979 522 R CB -0.481 29.727 30.300 -0.155 0.000 0.877 522 R HN 0.286 nan 8.270 nan 0.000 0.441 523 V N 1.884 121.754 119.914 -0.074 0.000 2.287 523 V HA -0.172 3.952 4.120 0.006 0.000 0.248 523 V C -0.887 175.218 176.094 0.018 0.000 1.053 523 V CA 1.938 64.211 62.300 -0.045 0.000 1.027 523 V CB -1.125 30.646 31.823 -0.086 0.000 0.646 523 V HN 0.197 nan 8.190 nan 0.000 0.447 524 P HA -0.163 nan 4.420 nan 0.000 0.216 524 P C 1.953 179.309 177.300 0.094 0.000 1.150 524 P CA 1.644 64.836 63.100 0.154 0.000 0.837 524 P CB -0.097 31.707 31.700 0.173 0.000 0.786 525 M N -2.272 117.349 119.600 0.035 0.000 2.132 525 M HA -0.124 4.360 4.480 0.006 0.000 0.263 525 M C 2.157 178.401 176.300 -0.094 0.000 1.065 525 M CA 1.887 57.156 55.300 -0.052 0.000 1.122 525 M CB -0.684 31.914 32.600 -0.005 0.000 1.365 525 M HN -0.050 nan 8.290 nan 0.000 0.411 526 M N -0.087 119.484 119.600 -0.049 0.000 2.159 526 M HA -0.198 4.286 4.480 0.006 0.000 0.263 526 M C 2.069 178.323 176.300 -0.077 0.000 1.063 526 M CA 1.470 56.735 55.300 -0.059 0.000 1.110 526 M CB -0.480 32.102 32.600 -0.031 0.000 1.374 526 M HN 0.281 nan 8.290 nan 0.000 0.411 527 L N 0.073 121.269 121.223 -0.044 0.000 2.093 527 L HA -0.212 4.132 4.340 0.006 0.000 0.208 527 L C 2.392 179.175 176.870 -0.145 0.000 1.085 527 L CA 1.315 56.136 54.840 -0.032 0.000 0.755 527 L CB -0.439 41.686 42.059 0.110 0.000 0.904 527 L HN 0.276 nan 8.230 nan 0.000 0.435 528 K N -0.738 119.488 120.400 -0.291 0.000 2.097 528 K HA -0.090 4.234 4.320 0.006 0.000 0.205 528 K C 2.013 178.459 176.600 -0.255 0.000 1.050 528 K CA 0.980 56.981 56.287 -0.477 0.000 0.938 528 K CB -0.201 31.774 32.500 -0.875 0.000 0.718 528 K HN 0.107 nan 8.250 nan 0.000 0.442 529 V N 1.729 121.500 119.914 -0.238 0.000 2.358 529 V HA -0.233 3.891 4.120 0.006 0.000 0.246 529 V C 2.439 178.400 176.094 -0.222 0.000 1.047 529 V CA 2.009 64.155 62.300 -0.257 0.000 1.035 529 V CB -0.662 30.989 31.823 -0.287 0.000 0.658 529 V HN 0.347 nan 8.190 nan 0.000 0.452 530 A N -0.222 122.504 122.820 -0.155 0.000 1.908 530 A HA -0.190 4.134 4.320 0.006 0.000 0.218 530 A C 2.223 179.768 177.584 -0.067 0.000 1.181 530 A CA 1.876 53.845 52.037 -0.114 0.000 0.627 530 A CB -0.604 18.341 19.000 -0.092 0.000 0.818 530 A HN 0.497 nan 8.150 nan 0.000 0.445 531 L N -0.827 120.375 121.223 -0.035 0.000 2.079 531 L HA -0.266 4.077 4.340 0.006 0.000 0.210 531 L C 2.693 179.577 176.870 0.023 0.000 1.081 531 L CA 1.290 56.144 54.840 0.023 0.000 0.752 531 L CB -0.595 41.519 42.059 0.092 0.000 0.896 531 L HN 0.518 nan 8.230 nan 0.000 0.433 532 C N -1.327 117.976 119.300 0.005 0.000 2.446 532 C HA -0.105 4.359 4.460 0.006 0.000 0.277 532 C C 2.757 177.728 174.990 -0.032 0.000 1.275 532 C CA 0.382 59.392 59.018 -0.014 0.000 1.727 532 C CB -0.489 27.217 27.740 -0.057 0.000 2.010 532 C HN 0.349 nan 8.230 nan 0.000 0.486 533 V N 1.564 121.446 119.914 -0.053 0.000 2.270 533 V HA -0.176 3.948 4.120 0.006 0.000 0.245 533 V C 2.743 178.869 176.094 0.054 0.000 1.043 533 V CA 2.256 64.560 62.300 0.007 0.000 1.014 533 V CB -1.494 30.352 31.823 0.038 0.000 0.645 533 V HN 0.566 nan 8.190 nan 0.000 0.447 534 A N 0.743 123.588 122.820 0.041 0.000 1.851 534 A HA -0.299 4.024 4.320 0.006 0.000 0.216 534 A C 2.243 179.865 177.584 0.064 0.000 1.195 534 A CA 2.620 54.696 52.037 0.064 0.000 0.622 534 A CB -0.643 18.384 19.000 0.045 0.000 0.831 534 A HN 0.496 nan 8.150 nan 0.000 0.444 535 K N 0.173 120.598 120.400 0.041 0.000 2.097 535 K HA -0.053 4.270 4.320 0.006 0.000 0.206 535 K C 1.843 178.470 176.600 0.046 0.000 1.049 535 K CA 2.039 58.348 56.287 0.037 0.000 0.933 535 K CB -1.179 31.328 32.500 0.010 0.000 0.717 535 K HN 0.307 nan 8.250 nan 0.000 0.442 536 G N -0.172 108.651 108.800 0.037 0.000 2.432 536 G HA2 -0.201 3.763 3.960 0.006 0.000 0.219 536 G HA3 -0.201 3.763 3.960 0.006 0.000 0.219 536 G C 1.630 176.539 174.900 0.014 0.000 1.135 536 G CA 0.952 46.077 45.100 0.041 0.000 0.767 536 G HN 0.474 nan 8.290 nan 0.000 0.550 537 A N 0.253 123.101 122.820 0.045 0.000 1.929 537 A HA 0.170 4.494 4.320 0.006 0.000 0.216 537 A C 2.301 179.971 177.584 0.143 0.000 1.176 537 A CA 1.496 53.599 52.037 0.110 0.000 0.628 537 A CB -0.333 18.801 19.000 0.224 0.000 0.816 537 A HN 0.418 nan 8.150 nan 0.000 0.444 538 L N 0.079 121.359 121.223 0.095 0.000 2.027 538 L HA -0.106 4.238 4.340 0.006 0.000 0.206 538 L C 1.361 178.244 176.870 0.021 0.000 1.074 538 L CA 2.516 57.401 54.840 0.076 0.000 0.745 538 L CB -0.598 41.505 42.059 0.074 0.000 0.898 538 L HN 0.294 nan 8.230 nan 0.000 0.433 539 D N -0.595 119.820 120.400 0.025 0.000 2.269 539 D HA -0.072 4.571 4.640 0.006 0.000 0.208 539 D C 0.994 177.175 176.300 -0.199 0.000 0.963 539 D CA 0.656 54.678 54.000 0.037 0.000 0.864 539 D CB -0.185 40.733 40.800 0.195 0.000 0.936 539 D HN 0.193 nan 8.370 nan 0.000 0.505 540 R N 1.307 121.597 120.500 -0.351 0.000 2.429 540 R HA 0.117 4.461 4.340 0.006 0.000 0.302 540 R C -0.322 175.504 176.300 -0.789 0.000 1.268 540 R CA -0.038 55.524 56.100 -0.898 0.000 1.090 540 R CB -0.157 29.778 30.300 -0.607 0.000 1.102 540 R HN -0.058 nan 8.270 nan 0.000 0.522 541 T N 1.656 115.501 114.554 -1.181 0.000 3.945 541 T HA 0.220 4.574 4.350 0.006 0.000 0.306 541 T C -0.286 173.899 174.700 -0.858 0.000 1.475 541 T CA -0.533 60.927 62.100 -1.066 0.000 1.177 541 T CB -0.321 67.810 68.868 -1.229 0.000 1.272 541 T HN 0.768 nan 8.240 nan 0.000 0.930 542 E N -0.350 119.559 120.200 -0.486 0.000 2.427 542 E HA 0.528 4.882 4.350 0.006 0.000 0.279 542 E C -1.676 174.874 176.600 -0.083 0.000 1.120 542 E CA -1.186 55.097 56.400 -0.195 0.000 0.869 542 E CB 0.479 30.010 29.700 -0.282 0.000 1.393 542 E HN 0.065 nan 8.360 nan 0.000 0.443 543 S N 0.094 115.781 115.700 -0.022 0.000 2.498 543 S HA 0.642 5.116 4.470 0.006 0.000 0.317 543 S C -0.973 173.625 174.600 -0.003 0.000 1.090 543 S CA -0.707 57.475 58.200 -0.029 0.000 1.089 543 S CB 0.986 64.188 63.200 0.004 0.000 0.997 543 S HN 0.459 nan 8.310 nan 0.000 0.470 544 R N 1.823 122.330 120.500 0.012 0.000 2.522 544 R HA 0.537 4.881 4.340 0.006 0.000 0.283 544 R C 0.669 177.048 176.300 0.132 0.000 1.074 544 R CA 0.337 56.407 56.100 -0.050 0.000 0.925 544 R CB 0.937 30.990 30.300 -0.412 0.000 1.205 544 R HN 0.898 nan 8.270 nan 0.000 0.436 545 G N 2.417 111.331 108.800 0.191 0.000 2.651 545 G HA2 -0.450 3.514 3.960 0.006 0.000 0.315 545 G HA3 -0.450 3.514 3.960 0.006 0.000 0.315 545 G C 0.710 175.780 174.900 0.283 0.000 1.258 545 G CA 0.543 45.831 45.100 0.315 0.000 1.002 545 G HN 0.859 nan 8.290 nan 0.000 0.551 546 A N -0.292 122.714 122.820 0.310 0.000 2.206 546 A HA 0.223 4.547 4.320 0.006 0.000 0.211 546 A C 1.157 178.900 177.584 0.264 0.000 1.158 546 A CA 1.501 53.684 52.037 0.243 0.000 0.761 546 A CB -0.386 18.759 19.000 0.242 0.000 0.801 546 A HN 0.969 nan 8.150 nan 0.000 0.473 547 H N 1.680 120.889 119.070 0.232 0.000 2.761 547 H HA 0.225 4.785 4.556 0.006 0.000 0.284 547 H C -1.177 174.206 175.328 0.092 0.000 1.105 547 H CA -0.387 55.772 56.048 0.186 0.000 1.352 547 H CB 0.124 30.043 29.762 0.262 0.000 1.423 547 H HN 0.242 nan 8.280 nan 0.000 0.464 548 N N 5.466 124.013 118.700 -0.255 0.000 2.479 548 N HA 0.181 4.924 4.740 0.006 0.000 0.261 548 N C -0.557 174.839 175.510 -0.189 0.000 0.979 548 N CA -0.684 52.255 53.050 -0.184 0.000 0.930 548 N CB 1.545 39.991 38.487 -0.069 0.000 1.172 548 N HN 0.492 nan 8.380 nan 0.000 0.499 549 R N 1.768 122.163 120.500 -0.176 0.000 2.229 549 R HA 0.180 4.523 4.340 0.006 0.000 0.332 549 R C 0.956 177.291 176.300 0.059 0.000 0.989 549 R CA -0.295 55.782 56.100 -0.038 0.000 0.842 549 R CB 0.979 31.292 30.300 0.022 0.000 1.119 549 R HN 0.618 nan 8.270 nan 0.000 0.456 550 E N 0.995 121.234 120.200 0.066 0.000 2.204 550 E HA -0.178 4.175 4.350 0.006 0.000 0.194 550 E C 0.416 177.000 176.600 -0.027 0.000 0.989 550 E CA 1.303 57.710 56.400 0.012 0.000 0.824 550 E CB 0.340 30.014 29.700 -0.044 0.000 0.756 550 E HN 0.543 nan 8.360 nan 0.000 0.477 551 D N -0.716 119.676 120.400 -0.014 0.000 2.349 551 D HA -0.122 4.521 4.640 0.006 0.000 0.215 551 D C -0.003 176.020 176.300 -0.460 0.000 1.016 551 D CA 0.429 54.320 54.000 -0.182 0.000 0.870 551 D CB -0.121 40.604 40.800 -0.125 0.000 0.917 551 D HN 0.235 nan 8.370 nan 0.000 0.524 552 Y N 0.013 120.304 120.300 -0.016 0.000 2.569 552 Y HA 0.255 4.809 4.550 0.006 0.000 0.310 552 Y C -1.877 174.010 175.900 -0.022 0.000 1.021 552 Y CA -1.771 56.319 58.100 -0.016 0.000 1.152 552 Y CB 1.547 39.988 38.460 -0.031 0.000 1.140 552 Y HN -0.140 nan 8.280 nan 0.000 0.621 553 P HA -0.154 nan 4.420 nan 0.000 0.226 553 P C -0.274 177.066 177.300 0.067 0.000 1.146 553 P CA 1.136 64.269 63.100 0.056 0.000 0.773 553 P CB 0.484 32.200 31.700 0.026 0.000 0.772 554 K N 0.194 120.645 120.400 0.085 0.000 2.118 554 K HA 0.384 4.708 4.320 0.006 0.000 0.254 554 K C 0.352 177.015 176.600 0.106 0.000 0.961 554 K CA -0.962 55.380 56.287 0.092 0.000 0.876 554 K CB 1.648 34.195 32.500 0.078 0.000 1.077 554 K HN -0.185 nan 8.250 nan 0.000 0.440 555 R N 1.998 122.575 120.500 0.128 0.000 2.248 555 R HA -0.000 4.343 4.340 0.006 0.000 0.328 555 R C -0.806 175.586 176.300 0.153 0.000 1.067 555 R CA -0.196 55.973 56.100 0.116 0.000 0.924 555 R CB 0.362 30.735 30.300 0.121 0.000 1.013 555 R HN 0.543 nan 8.270 nan 0.000 0.454 556 D N 3.657 124.151 120.400 0.155 0.000 2.468 556 D HA 0.044 4.688 4.640 0.006 0.000 0.218 556 D C -0.309 176.089 176.300 0.163 0.000 1.155 556 D CA -0.281 53.837 54.000 0.196 0.000 0.924 556 D CB 0.827 41.826 40.800 0.332 0.000 1.029 556 D HN 0.484 nan 8.370 nan 0.000 0.515 557 D N 2.905 123.371 120.400 0.111 0.000 2.378 557 D HA 0.004 4.647 4.640 0.006 0.000 0.227 557 D C 1.738 178.053 176.300 0.026 0.000 1.012 557 D CA 0.271 54.305 54.000 0.056 0.000 0.905 557 D CB 0.743 41.550 40.800 0.012 0.000 0.895 557 D HN 0.558 nan 8.370 nan 0.000 0.532 558 I N 0.282 120.866 120.570 0.023 0.000 2.556 558 I HA -0.077 4.096 4.170 0.006 0.000 0.251 558 I C 1.565 177.620 176.117 -0.103 0.000 1.105 558 I CA 0.458 61.742 61.300 -0.027 0.000 1.436 558 I CB 0.141 38.130 38.000 -0.018 0.000 1.139 558 I HN -0.124 nan 8.210 nan 0.000 0.438 559 N N -0.894 117.711 118.700 -0.158 0.000 2.282 559 N HA 0.012 4.755 4.740 0.006 0.000 0.185 559 N C 0.333 175.373 175.510 -0.783 0.000 1.099 559 N CA 0.530 53.296 53.050 -0.472 0.000 0.878 559 N CB 0.494 38.643 38.487 -0.563 0.000 0.993 559 N HN 0.367 nan 8.380 nan 0.000 0.481 560 W N 0.581 121.824 121.300 -0.096 0.000 2.300 560 W HA 0.365 5.029 4.660 0.006 0.000 0.366 560 W C 0.037 176.513 176.519 -0.072 0.000 0.913 560 W CA -0.531 56.743 57.345 -0.119 0.000 2.200 560 W CB 0.124 29.499 29.460 -0.142 0.000 1.182 560 W HN -0.165 nan 8.180 nan 0.000 0.586 561 L N 4.010 125.290 121.223 0.095 0.000 2.480 561 L HA 0.290 4.634 4.340 0.006 0.000 0.243 561 L C 0.333 177.272 176.870 0.114 0.000 1.315 561 L CA 0.524 55.422 54.840 0.097 0.000 1.231 561 L CB -1.504 40.587 42.059 0.053 0.000 1.444 561 L HN 0.212 nan 8.230 nan 0.000 0.409 562 N N 0.913 119.721 118.700 0.180 0.000 3.344 562 N HA 0.479 5.223 4.740 0.006 0.000 0.296 562 N C -1.273 174.435 175.510 0.331 0.000 1.571 562 N CA -1.204 51.978 53.050 0.220 0.000 0.844 562 N CB 1.399 40.002 38.487 0.193 0.000 1.718 562 N HN 0.163 nan 8.380 nan 0.000 0.589 563 R N 0.316 121.019 120.500 0.338 0.000 2.561 563 R HA 0.332 4.675 4.340 0.006 0.000 0.297 563 R C -1.282 175.220 176.300 0.337 0.000 0.969 563 R CA -0.301 56.003 56.100 0.339 0.000 0.879 563 R CB 1.950 32.376 30.300 0.210 0.000 1.178 563 R HN 0.602 nan 8.270 nan 0.000 0.445 564 T N 5.508 120.251 114.554 0.316 0.000 2.814 564 T HA 0.267 4.621 4.350 0.006 0.000 0.297 564 T C -0.090 174.580 174.700 -0.050 0.000 0.956 564 T CA -0.093 62.067 62.100 0.100 0.000 1.123 564 T CB 0.275 69.244 68.868 0.168 0.000 0.902 564 T HN 0.319 nan 8.240 nan 0.000 0.528 565 L N 3.191 124.300 121.223 -0.190 0.000 2.298 565 L HA 0.657 5.000 4.340 0.006 0.000 0.284 565 L C 0.294 177.074 176.870 -0.151 0.000 1.013 565 L CA -0.956 53.808 54.840 -0.127 0.000 0.824 565 L CB 1.166 43.163 42.059 -0.102 0.000 1.221 565 L HN 0.652 nan 8.230 nan 0.000 0.418 566 A N 2.825 125.588 122.820 -0.096 0.000 2.324 566 A HA 0.887 5.210 4.320 0.006 0.000 0.330 566 A C -0.132 177.431 177.584 -0.035 0.000 1.165 566 A CA -0.347 51.646 52.037 -0.073 0.000 0.813 566 A CB 1.374 20.346 19.000 -0.046 0.000 1.197 566 A HN 0.699 nan 8.150 nan 0.000 0.484 567 S N 0.525 116.216 115.700 -0.015 0.000 2.671 567 S HA 0.745 5.218 4.470 0.006 0.000 0.277 567 S C -1.191 173.477 174.600 0.113 0.000 1.165 567 S CA -0.512 57.707 58.200 0.032 0.000 0.822 567 S CB 1.424 64.615 63.200 -0.015 0.000 1.150 567 S HN 1.050 nan 8.310 nan 0.000 0.479 568 W N 1.902 123.151 121.300 -0.085 0.000 1.713 568 W HA 0.360 5.023 4.660 0.006 0.000 0.303 568 W C -2.961 173.526 176.519 -0.053 0.000 0.915 568 W CA -1.739 55.561 57.345 -0.075 0.000 1.751 568 W CB 1.002 30.409 29.460 -0.090 0.000 1.955 568 W HN 0.578 nan 8.180 nan 0.000 0.405 569 P HA -0.177 nan 4.420 nan 0.000 0.214 569 P C 0.498 177.848 177.300 0.083 0.000 1.163 569 P CA 1.714 64.846 63.100 0.053 0.000 0.889 569 P CB 0.201 31.896 31.700 -0.009 0.000 0.790 570 N N -0.471 118.258 118.700 0.049 0.000 2.420 570 N HA 0.069 4.813 4.740 0.006 0.000 0.249 570 N C -1.656 173.969 175.510 0.193 0.000 1.033 570 N CA -2.122 50.972 53.050 0.073 0.000 0.944 570 N CB 0.785 39.276 38.487 0.007 0.000 1.113 570 N HN -0.023 nan 8.380 nan 0.000 0.502 571 P HA -0.111 nan 4.420 nan 0.000 0.226 571 P C 0.105 177.561 177.300 0.260 0.000 1.146 571 P CA 1.242 64.485 63.100 0.239 0.000 0.773 571 P CB 0.486 32.256 31.700 0.115 0.000 0.772 572 E N -0.382 119.934 120.200 0.193 0.000 2.452 572 E HA -0.005 4.349 4.350 0.006 0.000 0.197 572 E C 1.037 177.746 176.600 0.183 0.000 1.022 572 E CA -0.185 56.317 56.400 0.170 0.000 0.890 572 E CB 0.026 29.780 29.700 0.091 0.000 0.918 572 E HN 0.542 nan 8.360 nan 0.000 0.496 573 Q N 0.867 120.740 119.800 0.122 0.000 2.454 573 Q HA 0.074 4.417 4.340 0.006 0.000 0.247 573 Q C 0.612 176.662 176.000 0.084 0.000 1.028 573 Q CA 0.767 56.547 55.803 -0.038 0.000 0.910 573 Q CB 0.373 28.919 28.738 -0.321 0.000 1.276 573 Q HN -0.057 nan 8.270 nan 0.000 0.489 574 T N -1.111 113.444 114.554 0.001 0.000 3.044 574 T HA 0.373 4.726 4.350 0.006 0.000 0.260 574 T C 0.265 174.918 174.700 -0.079 0.000 1.019 574 T CA -0.327 61.874 62.100 0.169 0.000 0.921 574 T CB 0.193 69.201 68.868 0.234 0.000 1.053 574 T HN 0.433 nan 8.240 nan 0.000 0.533 575 L N 2.186 123.140 121.223 -0.449 0.000 2.401 575 L HA 0.569 4.913 4.340 0.006 0.000 0.266 575 L C -2.588 173.728 176.870 -0.923 0.000 0.991 575 L CA -2.754 51.797 54.840 -0.483 0.000 0.818 575 L CB 2.828 44.745 42.059 -0.237 0.000 1.321 575 L HN -0.122 nan 8.230 nan 0.000 0.413 576 P HA 0.091 nan 4.420 nan 0.000 0.272 576 P C -0.724 176.352 177.300 -0.373 0.000 1.230 576 P CA -0.213 62.529 63.100 -0.596 0.000 0.788 576 P CB 0.766 32.396 31.700 -0.116 0.000 0.949 577 T N 2.342 116.722 114.554 -0.289 0.000 2.744 577 T HA 0.440 4.793 4.350 0.006 0.000 0.291 577 T C 0.102 174.712 174.700 -0.150 0.000 0.957 577 T CA -0.312 61.670 62.100 -0.197 0.000 1.002 577 T CB -0.004 68.762 68.868 -0.170 0.000 0.919 577 T HN 0.182 nan 8.240 nan 0.000 0.468 578 L N 3.608 124.746 121.223 -0.142 0.000 2.317 578 L HA 0.621 4.964 4.340 0.006 0.000 0.281 578 L C 0.378 177.080 176.870 -0.280 0.000 1.024 578 L CA -0.730 53.983 54.840 -0.211 0.000 0.810 578 L CB 1.648 43.604 42.059 -0.171 0.000 1.240 578 L HN 0.593 nan 8.230 nan 0.000 0.427 579 E N 1.355 121.298 120.200 -0.429 0.000 2.423 579 E HA 0.584 4.937 4.350 0.006 0.000 0.269 579 E C -1.837 174.342 176.600 -0.700 0.000 0.948 579 E CA -0.791 55.388 56.400 -0.369 0.000 0.802 579 E CB 2.668 32.274 29.700 -0.156 0.000 1.339 579 E HN 0.279 nan 8.360 nan 0.000 0.445 580 Y N 0.284 120.606 120.300 0.037 0.000 2.477 580 Y HA 0.269 4.823 4.550 0.006 0.000 0.347 580 Y C -0.553 175.370 175.900 0.037 0.000 0.981 580 Y CA -0.803 57.330 58.100 0.055 0.000 1.033 580 Y CB 2.041 40.530 38.460 0.048 0.000 1.245 580 Y HN 0.385 nan 8.280 nan 0.000 0.455 581 E N 2.346 122.660 120.200 0.191 0.000 2.114 581 E HA 0.713 5.067 4.350 0.006 0.000 0.266 581 E C -1.063 175.621 176.600 0.141 0.000 0.896 581 E CA -0.782 55.693 56.400 0.125 0.000 0.750 581 E CB 0.896 30.651 29.700 0.092 0.000 1.121 581 E HN 0.786 nan 8.360 nan 0.000 0.413 582 A N 5.166 128.047 122.820 0.101 0.000 2.425 582 A HA 0.326 4.650 4.320 0.006 0.000 0.249 582 A C -0.182 177.449 177.584 0.079 0.000 1.084 582 A CA -0.359 51.726 52.037 0.079 0.000 0.781 582 A CB 0.331 19.354 19.000 0.038 0.000 1.019 582 A HN 0.755 nan 8.150 nan 0.000 0.490 583 L N 2.434 123.708 121.223 0.085 0.000 2.260 583 L HA 0.212 4.555 4.340 0.006 0.000 0.289 583 L C 0.005 176.914 176.870 0.066 0.000 1.057 583 L CA -0.657 54.236 54.840 0.087 0.000 0.811 583 L CB 0.967 43.095 42.059 0.116 0.000 1.184 583 L HN 0.672 nan 8.230 nan 0.000 0.429 584 D N 2.836 123.271 120.400 0.058 0.000 2.338 584 D HA 0.041 4.685 4.640 0.006 0.000 0.255 584 D C 1.007 177.339 176.300 0.052 0.000 1.237 584 D CA -0.072 53.956 54.000 0.045 0.000 0.883 584 D CB 1.786 42.609 40.800 0.039 0.000 1.087 584 D HN 0.243 nan 8.370 nan 0.000 0.485 585 V N 4.669 124.609 119.914 0.043 0.000 2.490 585 V HA -0.239 3.885 4.120 0.006 0.000 0.250 585 V C 2.071 178.193 176.094 0.047 0.000 1.061 585 V CA 1.231 63.558 62.300 0.044 0.000 1.064 585 V CB -0.408 31.426 31.823 0.018 0.000 0.670 585 V HN 0.595 nan 8.190 nan 0.000 0.461 586 N N 0.242 118.964 118.700 0.037 0.000 2.309 586 N HA -0.129 4.615 4.740 0.006 0.000 0.182 586 N C 1.513 177.049 175.510 0.044 0.000 1.018 586 N CA 0.874 53.946 53.050 0.036 0.000 0.876 586 N CB -0.109 38.394 38.487 0.026 0.000 0.972 586 N HN 0.605 nan 8.380 nan 0.000 0.434 587 E N 0.006 120.235 120.200 0.048 0.000 2.368 587 E HA 0.169 4.523 4.350 0.006 0.000 0.188 587 E C -0.124 176.519 176.600 0.072 0.000 1.061 587 E CA -0.084 56.346 56.400 0.050 0.000 0.933 587 E CB 0.216 29.940 29.700 0.041 0.000 1.091 587 E HN 0.267 nan 8.360 nan 0.000 0.458 588 M N 0.225 119.879 119.600 0.091 0.000 2.336 588 M HA 0.156 4.639 4.480 0.006 0.000 0.342 588 M C 0.931 177.318 176.300 0.145 0.000 1.128 588 M CA -0.111 55.269 55.300 0.134 0.000 1.016 588 M CB 1.904 34.599 32.600 0.159 0.000 1.665 588 M HN -0.070 nan 8.290 nan 0.000 0.445 589 E N 2.767 123.086 120.200 0.198 0.000 2.230 589 E HA 0.115 4.469 4.350 0.006 0.000 0.192 589 E C -0.289 176.450 176.600 0.232 0.000 0.987 589 E CA 0.707 57.228 56.400 0.201 0.000 0.841 589 E CB 0.545 30.384 29.700 0.233 0.000 0.783 589 E HN 0.578 nan 8.360 nan 0.000 0.481 590 I N 1.499 122.231 120.570 0.271 0.000 2.439 590 I HA 0.304 4.477 4.170 0.006 0.000 0.283 590 I C -0.312 176.021 176.117 0.360 0.000 1.023 590 I CA -0.871 60.603 61.300 0.289 0.000 1.100 590 I CB 1.692 39.853 38.000 0.270 0.000 1.238 590 I HN -0.020 nan 8.210 nan 0.000 0.445 591 A N 8.004 130.938 122.820 0.191 0.000 2.425 591 A HA 0.486 4.810 4.320 0.006 0.000 0.242 591 A C -2.436 174.973 177.584 -0.292 0.000 1.077 591 A CA -0.996 51.052 52.037 0.019 0.000 0.781 591 A CB -0.390 18.592 19.000 -0.030 0.000 1.020 591 A HN 0.394 nan 8.150 nan 0.000 0.494 592 P HA 0.206 nan 4.420 nan 0.000 0.265 592 P C 0.002 176.486 177.300 -1.360 0.000 1.193 592 P CA 0.396 62.411 63.100 -1.808 0.000 0.765 592 P CB 0.475 31.595 31.700 -0.967 0.000 0.823 593 R N 1.736 121.080 120.500 -1.927 0.000 3.985 593 R HA 0.367 4.710 4.340 0.006 0.000 0.253 593 R C -0.971 174.857 176.300 -0.788 0.000 0.994 593 R CA -0.747 54.792 56.100 -0.935 0.000 0.806 593 R CB 0.098 30.213 30.300 -0.308 0.000 1.750 593 R HN 0.167 nan 8.270 nan 0.000 0.388 594 Y N 3.558 123.740 120.300 -0.196 0.000 2.402 594 Y HA 0.210 4.764 4.550 0.006 0.000 0.333 594 Y C 1.372 177.421 175.900 0.248 0.000 1.076 594 Y CA -0.814 57.315 58.100 0.049 0.000 1.299 594 Y CB 1.064 39.613 38.460 0.149 0.000 1.197 594 Y HN 0.625 nan 8.280 nan 0.000 0.517 595 R N 3.431 123.802 120.500 -0.215 0.000 2.237 595 R HA 0.103 4.447 4.340 0.006 0.000 0.219 595 R C 1.219 177.247 176.300 -0.454 0.000 1.080 595 R CA 1.001 56.977 56.100 -0.206 0.000 0.995 595 R CB -0.336 29.769 30.300 -0.325 0.000 0.875 595 R HN 1.018 nan 8.270 nan 0.000 0.462 596 G N 0.131 108.176 108.800 -1.259 0.000 2.194 596 G HA2 -0.282 3.682 3.960 0.006 0.000 0.236 596 G HA3 -0.282 3.682 3.960 0.006 0.000 0.236 596 G C -0.149 174.629 174.900 -0.203 0.000 0.987 596 G CA 0.274 44.986 45.100 -0.647 0.000 0.635 596 G HN 0.586 nan 8.290 nan 0.000 0.520 597 Y N -1.712 118.369 120.300 -0.365 0.000 2.534 597 Y HA 0.714 5.268 4.550 0.006 0.000 0.345 597 Y C 0.636 176.603 175.900 0.111 0.000 1.031 597 Y CA -1.252 56.828 58.100 -0.033 0.000 1.022 597 Y CB 1.279 39.702 38.460 -0.062 0.000 1.292 597 Y HN 1.820 nan 8.280 nan 0.000 0.459 598 G N 0.605 109.535 108.800 0.216 0.000 2.728 598 G HA2 0.343 4.307 3.960 0.006 0.000 0.294 598 G HA3 0.343 4.307 3.960 0.006 0.000 0.294 598 G C -0.229 174.796 174.900 0.208 0.000 1.342 598 G CA -0.276 44.918 45.100 0.156 0.000 0.866 598 G HN 1.818 nan 8.290 nan 0.000 0.534 599 A N 0.080 122.983 122.820 0.137 0.000 2.555 599 A HA 0.521 4.845 4.320 0.006 0.000 0.233 599 A C 0.798 178.418 177.584 0.060 0.000 1.060 599 A CA 1.839 53.928 52.037 0.087 0.000 0.759 599 A CB 0.343 19.381 19.000 0.063 0.000 0.995 599 A HN 1.633 nan 8.150 nan 0.000 0.506 600 K N 1.304 121.649 120.400 -0.093 0.000 2.126 600 K HA 0.474 4.797 4.320 0.006 0.000 0.257 600 K C 0.985 177.493 176.600 -0.153 0.000 1.007 600 K CA 0.716 56.830 56.287 -0.289 0.000 0.928 600 K CB 0.534 32.838 32.500 -0.326 0.000 1.013 600 K HN 1.757 nan 8.250 nan 0.000 0.473 601 G N 2.756 111.453 108.800 -0.172 0.000 2.412 601 G HA2 -0.314 3.649 3.960 0.006 0.000 0.297 601 G HA3 -0.314 3.649 3.960 0.006 0.000 0.297 601 G C -0.075 174.714 174.900 -0.185 0.000 0.965 601 G CA 1.002 45.961 45.100 -0.236 0.000 1.134 601 G HN 0.745 nan 8.290 nan 0.000 0.511 602 N N -0.266 118.419 118.700 -0.024 0.000 2.458 602 N HA 0.411 5.155 4.740 0.006 0.000 0.274 602 N C -0.319 175.265 175.510 0.124 0.000 1.242 602 N CA -0.653 52.419 53.050 0.036 0.000 0.904 602 N CB 0.181 38.723 38.487 0.090 0.000 1.206 602 N HN 0.697 nan 8.380 nan 0.000 0.510 603 Y N -1.754 118.550 120.300 0.007 0.000 2.470 603 Y HA 0.560 5.114 4.550 0.006 0.000 0.341 603 Y C -0.999 174.896 175.900 -0.008 0.000 1.021 603 Y CA -1.596 56.506 58.100 0.004 0.000 1.025 603 Y CB 0.396 38.852 38.460 -0.006 0.000 1.266 603 Y HN -0.245 nan 8.280 nan 0.000 0.448 604 I N 3.367 124.010 120.570 0.121 0.000 2.494 604 I HA 0.066 4.240 4.170 0.006 0.000 0.289 604 I C 0.524 176.717 176.117 0.126 0.000 1.106 604 I CA 0.167 61.501 61.300 0.058 0.000 1.369 604 I CB 0.284 38.328 38.000 0.073 0.000 1.410 604 I HN 0.721 nan 8.210 nan 0.000 0.523 605 E N 5.891 126.129 120.200 0.063 0.000 2.392 605 E HA -0.008 4.346 4.350 0.006 0.000 0.264 605 E C -0.141 176.488 176.600 0.049 0.000 1.024 605 E CA -0.295 56.172 56.400 0.112 0.000 0.903 605 E CB 0.566 30.292 29.700 0.044 0.000 0.963 605 E HN 0.506 nan 8.360 nan 0.000 0.432 606 N N 4.641 123.360 118.700 0.032 0.000 2.419 606 N HA 0.167 4.911 4.740 0.006 0.000 0.277 606 N C -2.147 173.359 175.510 -0.007 0.000 1.006 606 N CA -2.016 51.035 53.050 0.002 0.000 0.923 606 N CB 1.566 40.046 38.487 -0.012 0.000 1.140 606 N HN 0.268 nan 8.380 nan 0.000 0.488 607 P HA -0.134 nan 4.420 nan 0.000 0.217 607 P C 1.381 178.675 177.300 -0.010 0.000 1.151 607 P CA 1.226 64.320 63.100 -0.009 0.000 0.849 607 P CB 0.347 32.041 31.700 -0.010 0.000 0.787 608 L N -1.586 119.629 121.223 -0.012 0.000 2.201 608 L HA -0.115 4.229 4.340 0.006 0.000 0.212 608 L C 2.291 179.151 176.870 -0.016 0.000 1.105 608 L CA 1.193 56.027 54.840 -0.011 0.000 0.775 608 L CB -0.857 41.196 42.059 -0.009 0.000 0.913 608 L HN -0.006 nan 8.230 nan 0.000 0.440 609 S N -0.340 115.342 115.700 -0.029 0.000 2.382 609 S HA -0.132 4.341 4.470 0.006 0.000 0.228 609 S C 2.051 176.630 174.600 -0.036 0.000 1.027 609 S CA 1.136 59.304 58.200 -0.053 0.000 0.991 609 S CB -0.174 62.967 63.200 -0.098 0.000 0.823 609 S HN 0.177 nan 8.310 nan 0.000 0.469 610 V N 1.879 121.781 119.914 -0.021 0.000 2.358 610 V HA -0.133 3.991 4.120 0.006 0.000 0.246 610 V C 2.413 178.504 176.094 -0.004 0.000 1.047 610 V CA 1.735 64.029 62.300 -0.010 0.000 1.035 610 V CB -0.562 31.258 31.823 -0.005 0.000 0.658 610 V HN 0.308 nan 8.190 nan 0.000 0.452 611 K N 1.181 121.579 120.400 -0.004 0.000 1.991 611 K HA -0.228 4.096 4.320 0.006 0.000 0.212 611 K C 2.241 178.844 176.600 0.006 0.000 1.049 611 K CA 1.946 58.234 56.287 0.001 0.000 0.932 611 K CB -0.477 32.023 32.500 0.000 0.000 0.717 611 K HN 0.245 nan 8.250 nan 0.000 0.441 612 R N 0.681 121.185 120.500 0.006 0.000 2.096 612 R HA -0.130 4.214 4.340 0.006 0.000 0.235 612 R C 2.245 178.557 176.300 0.020 0.000 1.127 612 R CA 2.000 58.109 56.100 0.015 0.000 0.968 612 R CB -0.865 29.445 30.300 0.017 0.000 0.861 612 R HN 0.414 nan 8.270 nan 0.000 0.440 613 Q N 0.886 120.693 119.800 0.011 0.000 2.061 613 Q HA -0.173 4.171 4.340 0.006 0.000 0.204 613 Q C 1.700 177.714 176.000 0.023 0.000 0.984 613 Q CA 2.457 58.271 55.803 0.018 0.000 0.846 613 Q CB -0.217 28.524 28.738 0.005 0.000 0.902 613 Q HN 0.611 nan 8.270 nan 0.000 0.421 614 E N 0.062 120.272 120.200 0.017 0.000 2.058 614 E HA -0.250 4.104 4.350 0.006 0.000 0.194 614 E C 1.980 178.592 176.600 0.020 0.000 0.997 614 E CA 1.238 57.648 56.400 0.017 0.000 0.801 614 E CB -0.208 29.500 29.700 0.012 0.000 0.746 614 E HN 0.579 nan 8.360 nan 0.000 0.450 615 E N 0.889 121.100 120.200 0.020 0.000 2.085 615 E HA -0.222 4.132 4.350 0.006 0.000 0.194 615 E C 2.093 178.710 176.600 0.027 0.000 0.994 615 E CA 1.042 57.455 56.400 0.021 0.000 0.801 615 E CB -0.063 29.649 29.700 0.021 0.000 0.743 615 E HN 0.234 nan 8.360 nan 0.000 0.453 616 I N 1.181 121.771 120.570 0.034 0.000 2.142 616 I HA -0.281 3.893 4.170 0.006 0.000 0.240 616 I C 1.947 178.087 176.117 0.039 0.000 1.078 616 I CA 1.596 62.922 61.300 0.043 0.000 1.343 616 I CB -0.359 37.675 38.000 0.057 0.000 1.046 616 I HN 0.103 nan 8.210 nan 0.000 0.405 617 D N 0.772 121.193 120.400 0.036 0.000 2.133 617 D HA -0.238 4.405 4.640 0.006 0.000 0.195 617 D C 2.087 178.403 176.300 0.026 0.000 0.997 617 D CA 1.320 55.340 54.000 0.033 0.000 0.840 617 D CB -0.174 40.644 40.800 0.029 0.000 0.947 617 D HN 0.272 nan 8.370 nan 0.000 0.452 618 K N 0.515 120.929 120.400 0.023 0.000 1.984 618 K HA -0.084 4.239 4.320 0.006 0.000 0.209 618 K C 2.116 178.728 176.600 0.019 0.000 1.046 618 K CA 0.924 57.222 56.287 0.019 0.000 0.934 618 K CB -0.227 32.283 32.500 0.017 0.000 0.717 618 K HN 0.092 nan 8.250 nan 0.000 0.438 619 I N 1.189 121.772 120.570 0.022 0.000 2.315 619 I HA -0.325 3.848 4.170 0.006 0.000 0.251 619 I C 2.816 178.945 176.117 0.021 0.000 1.125 619 I CA 1.442 62.755 61.300 0.021 0.000 1.392 619 I CB -0.322 37.693 38.000 0.024 0.000 1.065 619 I HN 0.471 nan 8.210 nan 0.000 0.424 620 Q N 0.859 120.673 119.800 0.024 0.000 2.020 620 Q HA -0.187 4.156 4.340 0.006 0.000 0.198 620 Q C 2.456 178.467 176.000 0.019 0.000 0.974 620 Q CA 2.212 58.029 55.803 0.023 0.000 0.829 620 Q CB 0.005 28.760 28.738 0.029 0.000 0.894 620 Q HN 0.569 nan 8.270 nan 0.000 0.433 621 S N 0.375 116.087 115.700 0.019 0.000 2.374 621 S HA -0.268 4.205 4.470 0.006 0.000 0.227 621 S C 1.609 176.217 174.600 0.014 0.000 1.037 621 S CA 1.608 59.817 58.200 0.016 0.000 1.024 621 S CB -0.573 62.637 63.200 0.016 0.000 0.861 621 S HN 0.464 nan 8.310 nan 0.000 0.456 622 E N 1.666 121.874 120.200 0.014 0.000 2.001 622 E HA -0.061 4.293 4.350 0.006 0.000 0.195 622 E C 2.243 178.850 176.600 0.011 0.000 1.002 622 E CA 1.524 57.931 56.400 0.012 0.000 0.819 622 E CB -0.521 29.186 29.700 0.012 0.000 0.769 622 E HN 0.459 nan 8.360 nan 0.000 0.454 623 L N 1.010 122.241 121.223 0.012 0.000 2.129 623 L HA -0.235 4.108 4.340 0.006 0.000 0.212 623 L C 2.638 179.515 176.870 0.010 0.000 1.087 623 L CA 1.204 56.051 54.840 0.012 0.000 0.757 623 L CB -0.437 41.630 42.059 0.013 0.000 0.896 623 L HN 0.251 nan 8.230 nan 0.000 0.434 624 E N 0.229 120.435 120.200 0.010 0.000 2.152 624 E HA -0.182 4.172 4.350 0.006 0.000 0.192 624 E C 2.231 178.836 176.600 0.008 0.000 0.983 624 E CA 0.891 57.297 56.400 0.009 0.000 0.818 624 E CB 0.101 29.807 29.700 0.009 0.000 0.758 624 E HN 0.472 nan 8.360 nan 0.000 0.467 625 A N 1.151 123.976 122.820 0.009 0.000 1.898 625 A HA 0.007 4.330 4.320 0.006 0.000 0.216 625 A C 2.256 179.844 177.584 0.007 0.000 1.181 625 A CA 1.339 53.381 52.037 0.008 0.000 0.620 625 A CB -0.489 18.516 19.000 0.008 0.000 0.819 625 A HN 0.329 nan 8.150 nan 0.000 0.442 626 A N -1.147 121.677 122.820 0.008 0.000 2.255 626 A HA 0.386 4.709 4.320 0.006 0.000 0.206 626 A C 1.661 179.250 177.584 0.008 0.000 1.193 626 A CA 1.122 53.163 52.037 0.007 0.000 0.794 626 A CB -1.379 17.625 19.000 0.008 0.000 0.794 626 A HN 1.933 nan 8.150 nan 0.000 0.481 627 G N -0.731 108.073 108.800 0.007 0.000 2.221 627 G HA2 -0.265 3.698 3.960 0.006 0.000 0.265 627 G HA3 -0.265 3.698 3.960 0.006 0.000 0.265 627 G C 0.108 175.013 174.900 0.010 0.000 1.041 627 G CA 0.615 45.720 45.100 0.007 0.000 0.807 627 G HN 0.559 nan 8.290 nan 0.000 0.502 628 K N 0.914 121.320 120.400 0.010 0.000 2.174 628 K HA 0.485 4.809 4.320 0.006 0.000 0.275 628 K C 0.694 177.302 176.600 0.012 0.000 1.015 628 K CA -0.429 55.867 56.287 0.014 0.000 0.933 628 K CB 0.687 33.196 32.500 0.015 0.000 1.025 628 K HN 0.405 nan 8.250 nan 0.000 0.463 629 D N 1.443 121.856 120.400 0.022 0.000 2.383 629 D HA 0.051 4.695 4.640 0.006 0.000 0.248 629 D C 0.769 177.055 176.300 -0.024 0.000 1.170 629 D CA -0.212 53.794 54.000 0.009 0.000 0.977 629 D CB 0.500 41.330 40.800 0.050 0.000 1.120 629 D HN 0.601 nan 8.370 nan 0.000 0.481 630 R N -0.212 120.224 120.500 -0.106 0.000 2.159 630 R HA -0.202 4.142 4.340 0.006 0.000 0.237 630 R C 1.364 177.566 176.300 -0.164 0.000 1.131 630 R CA 1.103 57.108 56.100 -0.158 0.000 0.982 630 R CB -0.755 29.406 30.300 -0.232 0.000 0.868 630 R HN 0.489 nan 8.270 nan 0.000 0.453 631 H N 0.851 119.924 119.070 0.005 0.000 2.395 631 H HA 0.103 4.663 4.556 0.006 0.000 0.299 631 H C 2.206 177.533 175.328 -0.002 0.000 1.070 631 H CA 1.589 57.638 56.048 0.002 0.000 1.356 631 H CB -0.066 29.695 29.762 -0.001 0.000 1.401 631 H HN 0.456 nan 8.280 nan 0.000 0.524 632 A N 0.897 123.782 122.820 0.108 0.000 1.970 632 A HA -0.010 4.314 4.320 0.006 0.000 0.216 632 A C 2.573 180.178 177.584 0.034 0.000 1.170 632 A CA 0.557 52.628 52.037 0.058 0.000 0.645 632 A CB -0.504 18.523 19.000 0.044 0.000 0.816 632 A HN 0.235 nan 8.150 nan 0.000 0.447 633 I N -0.722 119.861 120.570 0.022 0.000 2.353 633 I HA -0.211 3.963 4.170 0.006 0.000 0.248 633 I C 2.774 178.900 176.117 0.016 0.000 1.119 633 I CA 1.235 62.544 61.300 0.014 0.000 1.417 633 I CB -0.232 37.771 38.000 0.005 0.000 1.078 633 I HN 0.388 nan 8.210 nan 0.000 0.421 634 Q N 1.484 121.292 119.800 0.013 0.000 2.050 634 Q HA -0.281 4.063 4.340 0.006 0.000 0.202 634 Q C 1.973 177.992 176.000 0.032 0.000 0.980 634 Q CA 1.975 57.783 55.803 0.009 0.000 0.840 634 Q CB -0.183 28.559 28.738 0.006 0.000 0.898 634 Q HN 0.573 nan 8.270 nan 0.000 0.424 635 E N -0.659 119.565 120.200 0.039 0.000 2.153 635 E HA -0.139 4.215 4.350 0.006 0.000 0.194 635 E C 1.629 178.240 176.600 0.018 0.000 0.988 635 E CA 0.989 57.403 56.400 0.023 0.000 0.811 635 E CB -0.041 29.662 29.700 0.004 0.000 0.746 635 E HN 0.385 nan 8.360 nan 0.000 0.466 636 A N 0.451 123.283 122.820 0.020 0.000 2.016 636 A HA 0.001 4.325 4.320 0.006 0.000 0.217 636 A C 2.045 179.643 177.584 0.023 0.000 1.162 636 A CA 0.531 52.578 52.037 0.018 0.000 0.662 636 A CB -0.208 18.802 19.000 0.018 0.000 0.812 636 A HN 0.282 nan 8.150 nan 0.000 0.450 637 L N -2.174 119.066 121.223 0.028 0.000 2.127 637 L HA 0.254 4.598 4.340 0.006 0.000 0.203 637 L C 1.202 178.096 176.870 0.041 0.000 1.080 637 L CA 0.707 55.569 54.840 0.037 0.000 0.768 637 L CB 0.085 42.170 42.059 0.043 0.000 0.924 637 L HN 0.490 nan 8.230 nan 0.000 0.444 638 M N 1.170 120.793 119.600 0.039 0.000 2.400 638 M HA 0.285 4.769 4.480 0.006 0.000 0.192 638 M C -2.873 173.475 176.300 0.080 0.000 0.977 638 M CA -1.331 53.998 55.300 0.047 0.000 0.965 638 M CB 1.778 34.405 32.600 0.045 0.000 2.816 638 M HN -0.286 nan 8.290 nan 0.000 0.413 639 P HA 0.265 nan 4.420 nan 0.000 0.271 639 P C -1.808 175.543 177.300 0.085 0.000 1.216 639 P CA 0.341 63.462 63.100 0.036 0.000 0.776 639 P CB 0.401 32.087 31.700 -0.023 0.000 0.881 640 Y N -1.082 119.167 120.300 -0.085 0.000 2.609 640 Y HA 0.667 5.221 4.550 0.006 0.000 0.342 640 Y C -0.415 175.442 175.900 -0.072 0.000 1.058 640 Y CA -1.500 56.533 58.100 -0.112 0.000 1.055 640 Y CB 0.863 39.257 38.460 -0.109 0.000 1.292 640 Y HN 0.151 nan 8.280 nan 0.000 0.476 641 E N 1.928 122.127 120.200 -0.002 0.000 2.248 641 E HA 0.642 4.995 4.350 0.006 0.000 0.272 641 E C -1.226 175.536 176.600 0.269 0.000 1.008 641 E CA -0.694 55.737 56.400 0.051 0.000 0.856 641 E CB 2.426 32.171 29.700 0.076 0.000 1.120 641 E HN 0.752 nan 8.360 nan 0.000 0.397 642 L N 2.228 123.604 121.223 0.254 0.000 2.513 642 L HA 0.320 4.663 4.340 0.006 0.000 0.261 642 L C -2.456 174.563 176.870 0.248 0.000 0.945 642 L CA -1.929 53.100 54.840 0.315 0.000 0.848 642 L CB 2.928 45.118 42.059 0.219 0.000 1.334 642 L HN 0.263 nan 8.230 nan 0.000 0.407 643 P HA 0.087 nan 4.420 nan 0.000 0.272 643 P C 0.344 177.635 177.300 -0.014 0.000 1.223 643 P CA -0.190 62.913 63.100 0.004 0.000 0.784 643 P CB 1.223 32.775 31.700 -0.247 0.000 0.923 644 A N 3.704 126.496 122.820 -0.048 0.000 1.896 644 A HA -0.288 4.036 4.320 0.006 0.000 0.220 644 A C 2.111 179.606 177.584 -0.148 0.000 1.206 644 A CA 2.320 54.314 52.037 -0.072 0.000 0.647 644 A CB -1.407 17.553 19.000 -0.067 0.000 0.828 644 A HN 0.618 nan 8.150 nan 0.000 0.455 645 K N -2.164 118.058 120.400 -0.297 0.000 2.173 645 K HA -0.194 4.130 4.320 0.006 0.000 0.207 645 K C 0.435 176.678 176.600 -0.594 0.000 1.046 645 K CA 1.829 57.789 56.287 -0.545 0.000 0.929 645 K CB -0.255 31.685 32.500 -0.933 0.000 0.720 645 K HN 0.742 nan 8.250 nan 0.000 0.453 646 Y N 0.144 120.444 120.300 -0.001 0.000 2.706 646 Y HA 0.145 4.698 4.550 0.005 0.000 0.255 646 Y C 0.572 176.483 175.900 0.019 0.000 1.163 646 Y CA -0.547 57.561 58.100 0.013 0.000 1.174 646 Y CB 0.239 38.720 38.460 0.035 0.000 1.200 646 Y HN -0.041 nan 8.280 nan 0.000 0.544 647 K N -0.313 120.138 120.400 0.084 0.000 2.458 647 K HA 0.537 4.861 4.320 0.006 0.000 0.194 647 K C 0.683 177.289 176.600 0.010 0.000 1.024 647 K CA 0.133 56.447 56.287 0.044 0.000 1.108 647 K CB 0.370 32.868 32.500 -0.003 0.000 0.846 647 K HN 0.104 nan 8.250 nan 0.000 0.518 648 A N 1.906 124.739 122.820 0.022 0.000 2.332 648 A HA 0.296 4.620 4.320 0.006 0.000 0.258 648 A C 0.004 177.585 177.584 -0.006 0.000 1.087 648 A CA -0.722 51.312 52.037 -0.006 0.000 0.802 648 A CB 0.449 19.449 19.000 0.000 0.000 1.042 648 A HN 0.199 nan 8.150 nan 0.000 0.489 649 R N 0.921 121.396 120.500 -0.041 0.000 2.577 649 R HA 0.212 4.556 4.340 0.006 0.000 0.269 649 R C -0.881 175.416 176.300 -0.006 0.000 1.084 649 R CA -0.471 55.602 56.100 -0.045 0.000 1.163 649 R CB 0.193 30.427 30.300 -0.111 0.000 1.100 649 R HN 0.726 nan 8.270 nan 0.000 0.547 650 N N 1.983 120.691 118.700 0.014 0.000 2.457 650 N HA 0.043 4.787 4.740 0.006 0.000 0.250 650 N C -0.290 175.226 175.510 0.011 0.000 0.982 650 N CA -0.261 52.795 53.050 0.011 0.000 0.941 650 N CB 1.606 40.099 38.487 0.010 0.000 1.120 650 N HN 0.492 nan 8.380 nan 0.000 0.505 651 E N 2.663 122.863 120.200 0.001 0.000 2.414 651 E HA 0.061 4.414 4.350 0.006 0.000 0.263 651 E C -0.548 176.052 176.600 -0.000 0.000 1.000 651 E CA 0.108 56.508 56.400 0.001 0.000 0.914 651 E CB 0.754 30.451 29.700 -0.004 0.000 0.948 651 E HN 0.361 nan 8.360 nan 0.000 0.444 652 R N 2.898 123.400 120.500 0.004 0.000 2.837 652 R HA 0.302 4.645 4.340 0.006 0.000 0.271 652 R C -0.986 175.314 176.300 0.001 0.000 0.993 652 R CA -1.289 54.813 56.100 0.002 0.000 0.931 652 R CB 0.970 31.275 30.300 0.008 0.000 1.206 652 R HN 0.477 nan 8.270 nan 0.000 0.474 653 L N 1.881 123.109 121.223 0.009 0.000 2.615 653 L HA 0.110 4.453 4.340 0.006 0.000 0.271 653 L C 0.675 177.532 176.870 -0.022 0.000 1.183 653 L CA 1.736 56.583 54.840 0.012 0.000 0.933 653 L CB -0.009 42.091 42.059 0.068 0.000 1.199 653 L HN 0.920 nan 8.230 nan 0.000 0.487 654 G N 3.155 111.919 108.800 -0.060 0.000 2.401 654 G HA2 -0.197 3.766 3.960 0.006 0.000 0.283 654 G HA3 -0.197 3.766 3.960 0.006 0.000 0.283 654 G C -0.005 174.867 174.900 -0.048 0.000 1.117 654 G CA -0.048 45.001 45.100 -0.086 0.000 1.051 654 G HN 0.654 nan 8.290 nan 0.000 0.510 655 D N 0.000 120.381 120.400 -0.031 0.000 6.856 655 D HA 0.000 4.644 4.640 0.006 0.000 0.175 655 D CA 0.000 53.992 54.000 -0.012 0.000 0.868 655 D CB 0.000 40.799 40.800 -0.001 0.000 0.688 655 D HN 0.000 nan 8.370 nan 0.000 0.683