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 1wbb_1_B DATA FIRST_RESID 14 DATA SEQUENCE MQQYLRLKAQ HPEILLFYRM GDFYALFYDD AKRASQLLDI SLTXXXXXXX DATA SEQUENCE XXXPMAGIPY HAVENYLAKL VNQGESVAIC EXXXXXXXXX XXXXRKVVRI DATA SEQUENCE VTPGTISDEA LLQERQDNLL AAIWQDSKGF GYATLDISSG RFRLSEPADR DATA SEQUENCE ETMAAELQRT NPAELLYAED FAEMSLIEGR RGLRRRPLWE FEIDTARQQL DATA SEQUENCE NLQFGTRDLV GFGVENAPRG LCAAGCLLQY AKDTQRTTLP HIRSITMERE DATA SEQUENCE QDSIIMDAAT RRNLEITQNL AGGAENTLAS VLDCTVTPMG SRMLKRWLHM DATA SEQUENCE PVRDTRVLLE RQQTIGALQD FTAGLQPVLR QVGDLERILA RLALRTARPR DATA SEQUENCE DLARMRHAFQ QLPELRAQLE TVDSAPVQAL REKMGEFAEL RDLLERAIID DATA SEQUENCE TPPVLVRDGG VIASGYNEEL DEWRALADGA TDYLERLEVR ERERTGLDTL DATA SEQUENCE KVGFNAVHGY YIQISRGQSH LAPINYMRRQ TLKNAERYII PELKEYEDKV DATA SEQUENCE LTSKGKALAL EKQLYEELFD LLLPHLEALQ QSASALAELD VLVNLAERAY DATA SEQUENCE TLNYTCPTFI DKPGIRITEG RHPVVEQVLN EPFIANPLNL SPQRRMLIIT DATA SEQUENCE GPNMGGKSTY MRQTALIALM AYIGSYVPAQ KVEIGPIDRI FTRVGXXXXX DATA SEQUENCE XXXXXTFMVE MTETANILHN ATEYSLVLMD EIGRGTSTYD GLSLAWACAE DATA SEQUENCE NLANKIKALT LFATHYFELT QLPEKMEGVA NVHLDALEHG DTIAFMHSVQ DATA SEQUENCE DGAASKSYGL AVAALAGVPK EVIKRARQKL RELESIS 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 14 M HA 0.000 nan 4.480 nan 0.000 0.227 14 M C 0.000 176.301 176.300 0.002 0.000 1.140 14 M CA 0.000 55.275 55.300 -0.041 0.000 0.988 14 M CB 0.000 32.474 32.600 -0.209 0.000 1.302 15 Q N 0.345 120.163 119.800 0.030 0.000 2.389 15 Q HA -0.037 4.303 4.340 -0.000 0.000 0.204 15 Q C 1.643 177.683 176.000 0.067 0.000 0.944 15 Q CA 1.267 57.093 55.803 0.038 0.000 0.908 15 Q CB 0.255 29.008 28.738 0.024 0.000 1.002 15 Q HN 0.878 nan 8.270 nan 0.000 0.493 16 Q N 0.293 120.160 119.800 0.111 0.000 2.167 16 Q HA -0.187 4.152 4.340 -0.000 0.000 0.202 16 Q C 1.747 177.886 176.000 0.232 0.000 0.970 16 Q CA 1.140 57.048 55.803 0.174 0.000 0.855 16 Q CB -0.125 28.755 28.738 0.237 0.000 0.911 16 Q HN 0.450 nan 8.270 nan 0.000 0.438 17 Y N 0.012 120.340 120.300 0.047 0.000 2.200 17 Y HA -0.165 4.385 4.550 -0.000 0.000 0.290 17 Y C 1.514 177.434 175.900 0.033 0.000 1.137 17 Y CA 1.513 59.575 58.100 -0.063 0.000 1.163 17 Y CB 0.004 38.210 38.460 -0.423 0.000 0.988 17 Y HN 0.096 nan 8.280 nan 0.000 0.518 18 L N -0.110 121.065 121.223 -0.081 0.000 2.056 18 L HA -0.187 4.153 4.340 -0.000 0.000 0.207 18 L C 2.545 179.325 176.870 -0.149 0.000 1.078 18 L CA 1.472 56.222 54.840 -0.150 0.000 0.749 18 L CB -0.457 41.592 42.059 -0.017 0.000 0.901 18 L HN 0.132 nan 8.230 nan 0.000 0.433 19 R N -0.270 120.190 120.500 -0.068 0.000 2.148 19 R HA -0.033 4.307 4.340 -0.000 0.000 0.223 19 R C 2.204 178.476 176.300 -0.047 0.000 1.088 19 R CA 0.804 56.878 56.100 -0.044 0.000 0.985 19 R CB -0.087 30.209 30.300 -0.006 0.000 0.880 19 R HN 0.318 nan 8.270 nan 0.000 0.451 20 L N 0.114 121.314 121.223 -0.037 0.000 2.240 20 L HA -0.063 4.277 4.340 -0.000 0.000 0.211 20 L C 2.243 179.079 176.870 -0.057 0.000 1.106 20 L CA 0.805 55.645 54.840 0.001 0.000 0.793 20 L CB -0.131 41.999 42.059 0.119 0.000 0.927 20 L HN -0.015 nan 8.230 nan 0.000 0.446 21 K N 0.901 121.173 120.400 -0.213 0.000 2.155 21 K HA -0.047 4.272 4.320 -0.000 0.000 0.203 21 K C 1.996 178.537 176.600 -0.099 0.000 1.052 21 K CA 1.245 57.407 56.287 -0.207 0.000 0.948 21 K CB -0.126 32.120 32.500 -0.422 0.000 0.728 21 K HN 0.184 nan 8.250 nan 0.000 0.448 22 A N 0.560 123.318 122.820 -0.103 0.000 2.015 22 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 22 A C 1.943 179.466 177.584 -0.102 0.000 1.163 22 A CA 1.347 53.336 52.037 -0.081 0.000 0.646 22 A CB -0.428 18.529 19.000 -0.072 0.000 0.806 22 A HN 0.484 nan 8.150 nan 0.000 0.448 23 Q N -0.913 118.808 119.800 -0.133 0.000 2.124 23 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 23 Q C -0.140 175.518 176.000 -0.570 0.000 0.977 23 Q CA 1.033 56.658 55.803 -0.297 0.000 0.850 23 Q CB -0.023 28.567 28.738 -0.247 0.000 0.901 23 Q HN 0.788 nan 8.270 nan 0.000 0.429 24 H N -1.221 117.844 119.070 -0.008 0.000 2.538 24 H HA 0.150 4.706 4.556 -0.000 0.000 0.239 24 H C -1.989 173.342 175.328 0.004 0.000 1.401 24 H CA -1.505 54.544 56.048 0.002 0.000 1.499 24 H CB 1.314 31.078 29.762 0.004 0.000 1.624 24 H HN 0.131 nan 8.280 nan 0.000 0.524 25 P HA -0.094 nan 4.420 nan 0.000 0.221 25 P C 1.319 178.658 177.300 0.064 0.000 1.155 25 P CA 0.844 63.971 63.100 0.045 0.000 0.812 25 P CB 0.564 32.271 31.700 0.012 0.000 0.801 26 E N 0.599 120.842 120.200 0.072 0.000 2.511 26 E HA -0.001 4.349 4.350 -0.000 0.000 0.196 26 E C 0.310 176.954 176.600 0.074 0.000 1.066 26 E CA 0.173 56.614 56.400 0.069 0.000 0.871 26 E CB -0.331 29.406 29.700 0.062 0.000 0.863 26 E HN 0.307 nan 8.360 nan 0.000 0.520 27 I N 1.392 122.013 120.570 0.085 0.000 2.646 27 I HA 0.252 4.422 4.170 -0.000 0.000 0.299 27 I C 0.248 176.411 176.117 0.076 0.000 1.036 27 I CA -1.224 60.113 61.300 0.062 0.000 1.074 27 I CB 2.104 40.123 38.000 0.033 0.000 1.258 27 I HN -0.110 nan 8.210 nan 0.000 0.430 28 L N 4.723 125.984 121.223 0.062 0.000 2.483 28 L HA 0.147 4.486 4.340 -0.000 0.000 0.275 28 L C -0.549 176.396 176.870 0.125 0.000 1.220 28 L CA -0.075 54.833 54.840 0.113 0.000 0.833 28 L CB 0.379 42.505 42.059 0.111 0.000 1.102 28 L HN 0.360 nan 8.230 nan 0.000 0.490 29 L N 3.229 124.605 121.223 0.255 0.000 2.442 29 L HA 0.463 4.803 4.340 -0.000 0.000 0.261 29 L C -0.775 176.403 176.870 0.514 0.000 1.000 29 L CA -0.085 54.942 54.840 0.312 0.000 0.882 29 L CB 0.658 42.889 42.059 0.286 0.000 1.207 29 L HN 0.114 nan 8.230 nan 0.000 0.443 30 F N 4.314 124.341 119.950 0.128 0.000 2.495 30 F HA 0.250 4.777 4.527 -0.000 0.000 0.365 30 F C -0.226 175.800 175.800 0.376 0.000 1.090 30 F CA 0.073 58.166 58.000 0.155 0.000 1.235 30 F CB 0.299 39.212 39.000 -0.144 0.000 1.119 30 F HN 0.452 nan 8.300 nan 0.000 0.562 31 Y N 3.476 124.056 120.300 0.466 0.000 2.331 31 Y HA 0.452 5.002 4.550 -0.000 0.000 0.326 31 Y C -0.242 175.837 175.900 0.298 0.000 1.020 31 Y CA -1.377 56.967 58.100 0.407 0.000 1.136 31 Y CB 0.709 39.423 38.460 0.424 0.000 1.157 31 Y HN 0.564 nan 8.280 nan 0.000 0.444 32 R N 5.623 126.153 120.500 0.051 0.000 2.537 32 R HA 0.407 4.747 4.340 -0.000 0.000 0.280 32 R C -1.145 175.122 176.300 -0.055 0.000 1.058 32 R CA 0.404 56.419 56.100 -0.142 0.000 1.057 32 R CB 0.261 30.444 30.300 -0.194 0.000 0.973 32 R HN 0.752 nan 8.270 nan 0.000 0.438 33 M N 4.986 124.565 119.600 -0.035 0.000 2.167 33 M HA 0.212 4.692 4.480 -0.000 0.000 0.218 33 M C 0.562 176.892 176.300 0.050 0.000 0.968 33 M CA -0.131 55.213 55.300 0.074 0.000 1.004 33 M CB 1.248 33.961 32.600 0.187 0.000 2.485 33 M HN 0.866 nan 8.290 nan 0.000 0.404 34 G N 2.548 111.320 108.800 -0.047 0.000 3.181 34 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.322 34 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.322 34 G C 0.424 175.189 174.900 -0.225 0.000 1.246 34 G CA 1.089 46.133 45.100 -0.094 0.000 0.989 34 G HN 0.566 nan 8.290 nan 0.000 0.607 35 D N 0.793 121.011 120.400 -0.304 0.000 2.367 35 D HA 0.355 4.995 4.640 -0.000 0.000 0.207 35 D C 0.719 176.632 176.300 -0.644 0.000 1.034 35 D CA 0.461 54.114 54.000 -0.577 0.000 0.861 35 D CB 0.166 40.409 40.800 -0.927 0.000 0.943 35 D HN 0.286 nan 8.370 nan 0.000 0.515 36 F N -0.741 119.127 119.950 -0.138 0.000 2.594 36 F HA 0.452 4.979 4.527 -0.000 0.000 0.335 36 F C -0.306 175.315 175.800 -0.298 0.000 1.058 36 F CA -1.256 56.654 58.000 -0.152 0.000 0.981 36 F CB 0.911 39.839 39.000 -0.120 0.000 1.289 36 F HN -0.318 nan 8.300 nan 0.000 0.490 37 Y N 0.642 120.984 120.300 0.070 0.000 2.360 37 Y HA 0.674 5.224 4.550 -0.000 0.000 0.337 37 Y C 0.021 175.786 175.900 -0.225 0.000 1.039 37 Y CA -1.075 56.990 58.100 -0.058 0.000 1.109 37 Y CB 1.666 40.019 38.460 -0.178 0.000 1.201 37 Y HN 0.663 nan 8.280 nan 0.000 0.458 38 A N 3.830 126.629 122.820 -0.036 0.000 2.337 38 A HA 0.861 5.181 4.320 -0.000 0.000 0.329 38 A C -1.596 175.661 177.584 -0.544 0.000 1.146 38 A CA -0.625 51.178 52.037 -0.389 0.000 0.800 38 A CB 0.716 19.441 19.000 -0.460 0.000 1.220 38 A HN 0.677 nan 8.150 nan 0.000 0.472 39 L N 1.644 122.432 121.223 -0.725 0.000 2.365 39 L HA 0.753 5.093 4.340 -0.000 0.000 0.273 39 L C -1.033 175.380 176.870 -0.760 0.000 1.000 39 L CA 0.093 54.625 54.840 -0.512 0.000 0.819 39 L CB 1.634 43.578 42.059 -0.191 0.000 1.284 39 L HN 0.662 nan 8.230 nan 0.000 0.418 40 F N 1.142 121.020 119.950 -0.119 0.000 2.593 40 F HA 0.651 5.177 4.527 -0.000 0.000 0.320 40 F C 0.262 176.140 175.800 0.130 0.000 1.060 40 F CA -0.913 57.002 58.000 -0.142 0.000 0.940 40 F CB 0.918 39.675 39.000 -0.405 0.000 1.268 40 F HN 0.363 nan 8.300 nan 0.000 0.475 41 Y N -0.157 120.258 120.300 0.191 0.000 2.887 41 Y HA -0.426 4.123 4.550 -0.000 0.000 0.467 41 Y C 1.669 177.633 175.900 0.106 0.000 1.191 41 Y CA 1.454 59.637 58.100 0.138 0.000 2.539 41 Y CB -0.958 37.601 38.460 0.164 0.000 1.225 41 Y HN 0.600 nan 8.280 nan 0.000 0.630 42 D N 0.264 120.865 120.400 0.335 0.000 2.264 42 D HA -0.078 4.562 4.640 -0.000 0.000 0.208 42 D C 1.375 177.770 176.300 0.158 0.000 0.966 42 D CA 1.470 55.589 54.000 0.198 0.000 0.864 42 D CB -0.453 40.446 40.800 0.166 0.000 0.933 42 D HN 0.385 nan 8.370 nan 0.000 0.499 43 D N 0.676 121.191 120.400 0.191 0.000 2.097 43 D HA -0.101 4.539 4.640 -0.000 0.000 0.195 43 D C 2.077 178.433 176.300 0.094 0.000 0.989 43 D CA 1.361 55.457 54.000 0.160 0.000 0.827 43 D CB -0.275 40.654 40.800 0.215 0.000 0.966 43 D HN 0.136 nan 8.370 nan 0.000 0.456 44 A N 1.038 123.893 122.820 0.057 0.000 1.877 44 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 44 A C 2.039 179.626 177.584 0.006 0.000 1.186 44 A CA 1.499 53.527 52.037 -0.016 0.000 0.620 44 A CB -0.398 18.568 19.000 -0.056 0.000 0.822 44 A HN 0.110 nan 8.150 nan 0.000 0.443 45 K N -0.806 119.614 120.400 0.033 0.000 2.001 45 K HA -0.186 4.134 4.320 -0.000 0.000 0.214 45 K C 2.372 178.996 176.600 0.041 0.000 1.050 45 K CA 1.583 57.891 56.287 0.035 0.000 0.934 45 K CB -0.286 32.247 32.500 0.055 0.000 0.718 45 K HN 0.270 nan 8.250 nan 0.000 0.443 46 R N 0.133 120.668 120.500 0.059 0.000 2.103 46 R HA -0.142 4.198 4.340 -0.000 0.000 0.242 46 R C 2.254 178.590 176.300 0.060 0.000 1.142 46 R CA 1.589 57.727 56.100 0.063 0.000 0.960 46 R CB -0.434 29.914 30.300 0.079 0.000 0.858 46 R HN 0.268 nan 8.270 nan 0.000 0.439 47 A N 0.516 123.370 122.820 0.057 0.000 1.970 47 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 47 A C 2.215 179.820 177.584 0.035 0.000 1.170 47 A CA 1.544 53.616 52.037 0.059 0.000 0.645 47 A CB -0.328 18.699 19.000 0.045 0.000 0.816 47 A HN 0.464 nan 8.150 nan 0.000 0.447 48 S N -0.851 114.855 115.700 0.011 0.000 2.423 48 S HA -0.170 4.300 4.470 -0.000 0.000 0.231 48 S C 1.934 176.550 174.600 0.026 0.000 1.014 48 S CA 1.118 59.321 58.200 0.005 0.000 0.965 48 S CB -0.366 62.826 63.200 -0.013 0.000 0.785 48 S HN 0.545 nan 8.310 nan 0.000 0.495 49 Q N 0.828 120.648 119.800 0.033 0.000 2.079 49 Q HA 0.105 4.445 4.340 -0.000 0.000 0.200 49 Q C 2.135 178.163 176.000 0.047 0.000 0.974 49 Q CA 1.236 57.061 55.803 0.037 0.000 0.840 49 Q CB -0.216 28.545 28.738 0.038 0.000 0.898 49 Q HN 0.620 nan 8.270 nan 0.000 0.430 50 L N -0.571 120.687 121.223 0.059 0.000 2.416 50 L HA 0.023 4.363 4.340 -0.000 0.000 0.216 50 L C 1.712 178.635 176.870 0.088 0.000 1.098 50 L CA 0.327 55.209 54.840 0.069 0.000 0.840 50 L CB 0.171 42.277 42.059 0.078 0.000 0.981 50 L HN 0.094 nan 8.230 nan 0.000 0.462 51 L N -1.569 119.718 121.223 0.105 0.000 2.858 51 L HA 0.223 4.563 4.340 -0.000 0.000 0.251 51 L C -0.405 176.556 176.870 0.152 0.000 1.149 51 L CA -0.152 54.789 54.840 0.167 0.000 0.955 51 L CB 0.196 42.399 42.059 0.240 0.000 1.289 51 L HN 0.081 nan 8.230 nan 0.000 0.542 52 D N 1.640 122.094 120.400 0.090 0.000 2.705 52 D HA -0.169 4.471 4.640 -0.000 0.000 0.240 52 D C -0.241 176.100 176.300 0.069 0.000 1.137 52 D CA 0.831 54.874 54.000 0.071 0.000 0.677 52 D CB -0.723 40.118 40.800 0.069 0.000 1.049 52 D HN 0.502 nan 8.370 nan 0.000 0.427 53 I N -4.702 115.890 120.570 0.038 0.000 3.170 53 I HA 0.720 4.890 4.170 -0.000 0.000 0.312 53 I C 0.268 176.369 176.117 -0.026 0.000 1.085 53 I CA -0.987 60.311 61.300 -0.004 0.000 0.999 53 I CB 2.031 39.995 38.000 -0.060 0.000 1.233 53 I HN -0.146 nan 8.210 nan 0.000 0.467 54 S N 1.339 117.010 115.700 -0.049 0.000 2.758 54 S HA 0.738 5.208 4.470 -0.000 0.000 0.292 54 S C -0.322 174.236 174.600 -0.070 0.000 1.131 54 S CA -0.602 57.569 58.200 -0.049 0.000 0.997 54 S CB 1.619 64.791 63.200 -0.048 0.000 1.111 54 S HN 0.410 nan 8.310 nan 0.000 0.552 55 L N 0.478 121.665 121.223 -0.061 0.000 2.299 55 L HA 0.682 5.022 4.340 -0.000 0.000 0.268 55 L C 0.377 177.202 176.870 -0.074 0.000 1.012 55 L CA -0.194 54.604 54.840 -0.071 0.000 0.816 55 L CB 1.687 43.714 42.059 -0.054 0.000 1.355 55 L HN 0.726 nan 8.230 nan 0.000 0.457 68 M N 1.133 120.703 119.600 -0.050 0.000 2.706 68 M HA 0.864 5.344 4.480 -0.000 0.000 0.304 68 M C -0.788 175.404 176.300 -0.181 0.000 1.217 68 M CA -0.453 54.788 55.300 -0.097 0.000 0.922 68 M CB 2.275 34.838 32.600 -0.061 0.000 1.637 68 M HN 0.437 nan 8.290 nan 0.000 0.492 69 A N 0.807 123.454 122.820 -0.288 0.000 2.532 69 A HA 0.667 4.987 4.320 -0.000 0.000 0.296 69 A C -0.895 176.487 177.584 -0.337 0.000 1.058 69 A CA -0.555 51.324 52.037 -0.263 0.000 0.729 69 A CB 1.039 19.915 19.000 -0.206 0.000 1.285 69 A HN 0.892 nan 8.150 nan 0.000 0.396 70 G N 0.758 109.371 108.800 -0.311 0.000 2.415 70 G HA2 0.688 4.648 3.960 -0.000 0.000 0.327 70 G HA3 0.688 4.648 3.960 -0.000 0.000 0.327 70 G C -0.601 174.140 174.900 -0.264 0.000 1.182 70 G CA -0.367 44.549 45.100 -0.307 0.000 0.924 70 G HN 1.776 nan 8.290 nan 0.000 0.470 71 I N 1.031 121.451 120.570 -0.251 0.000 2.420 71 I HA 0.514 4.684 4.170 -0.000 0.000 0.282 71 I C -2.507 173.569 176.117 -0.068 0.000 1.019 71 I CA -3.078 58.007 61.300 -0.358 0.000 1.130 71 I CB 2.088 39.690 38.000 -0.664 0.000 1.262 71 I HN 0.177 nan 8.210 nan 0.000 0.454 72 P HA -0.086 nan 4.420 nan 0.000 0.268 72 P C -0.051 177.173 177.300 -0.127 0.000 1.208 72 P CA 0.242 63.292 63.100 -0.084 0.000 0.777 72 P CB 0.561 32.172 31.700 -0.148 0.000 0.875 73 Y N 2.802 122.985 120.300 -0.195 0.000 2.242 73 Y HA -0.237 4.313 4.550 -0.000 0.000 0.291 73 Y C 2.628 178.526 175.900 -0.003 0.000 1.137 73 Y CA 1.800 59.873 58.100 -0.044 0.000 1.181 73 Y CB -0.716 37.679 38.460 -0.109 0.000 0.989 73 Y HN 0.495 nan 8.280 nan 0.000 0.527 74 H N -1.561 117.554 119.070 0.075 0.000 2.518 74 H HA 0.096 4.652 4.556 -0.000 0.000 0.289 74 H C 1.291 176.612 175.328 -0.012 0.000 1.051 74 H CA 1.131 57.186 56.048 0.012 0.000 1.280 74 H CB -0.214 29.585 29.762 0.061 0.000 1.380 74 H HN 0.394 nan 8.280 nan 0.000 0.566 75 A N 1.148 123.755 122.820 -0.355 0.000 2.538 75 A HA 0.379 4.699 4.320 -0.000 0.000 0.269 75 A C 2.075 179.702 177.584 0.071 0.000 1.231 75 A CA -0.119 51.867 52.037 -0.085 0.000 0.948 75 A CB 0.057 19.032 19.000 -0.041 0.000 1.110 75 A HN 0.192 nan 8.150 nan 0.000 0.529 76 V N 0.221 120.137 119.914 0.005 0.000 2.343 76 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 76 V C 2.483 178.635 176.094 0.096 0.000 1.051 76 V CA 2.135 64.505 62.300 0.116 0.000 1.036 76 V CB -0.476 31.381 31.823 0.056 0.000 0.654 76 V HN 0.496 nan 8.190 nan 0.000 0.451 77 E N 0.220 120.417 120.200 -0.005 0.000 2.118 77 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 77 E C 2.135 178.726 176.600 -0.015 0.000 0.992 77 E CA 1.008 57.394 56.400 -0.023 0.000 0.804 77 E CB -0.646 29.027 29.700 -0.045 0.000 0.741 77 E HN 0.624 nan 8.360 nan 0.000 0.458 78 N N -0.207 118.476 118.700 -0.029 0.000 2.084 78 N HA -0.164 4.576 4.740 -0.000 0.000 0.190 78 N C 1.762 177.188 175.510 -0.139 0.000 1.030 78 N CA 0.999 53.980 53.050 -0.116 0.000 0.849 78 N CB -0.098 38.265 38.487 -0.207 0.000 1.012 78 N HN 0.189 nan 8.380 nan 0.000 0.423 79 Y N 1.383 121.700 120.300 0.029 0.000 2.293 79 Y HA 0.008 4.558 4.550 -0.000 0.000 0.291 79 Y C 2.365 178.308 175.900 0.071 0.000 1.137 79 Y CA 0.587 58.730 58.100 0.072 0.000 1.202 79 Y CB -0.226 38.307 38.460 0.121 0.000 0.990 79 Y HN 0.065 nan 8.280 nan 0.000 0.537 80 L N -1.030 120.286 121.223 0.155 0.000 2.083 80 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 80 L C 2.620 179.481 176.870 -0.014 0.000 1.083 80 L CA 1.129 55.971 54.840 0.004 0.000 0.752 80 L CB -0.827 41.185 42.059 -0.077 0.000 0.899 80 L HN 0.235 nan 8.230 nan 0.000 0.433 81 A N 0.003 122.814 122.820 -0.015 0.000 1.969 81 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 81 A C 2.299 179.873 177.584 -0.017 0.000 1.169 81 A CA 1.538 53.558 52.037 -0.028 0.000 0.635 81 A CB -0.233 18.743 19.000 -0.040 0.000 0.810 81 A HN 0.303 nan 8.150 nan 0.000 0.445 82 K N -0.477 119.921 120.400 -0.004 0.000 2.076 82 K HA 0.134 4.454 4.320 -0.000 0.000 0.204 82 K C 1.760 178.380 176.600 0.033 0.000 1.051 82 K CA 0.992 57.285 56.287 0.011 0.000 0.949 82 K CB -0.243 32.267 32.500 0.015 0.000 0.726 82 K HN 0.440 nan 8.250 nan 0.000 0.443 83 L N 0.268 121.521 121.223 0.051 0.000 2.093 83 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 83 L C 2.233 179.108 176.870 0.010 0.000 1.085 83 L CA 0.671 55.538 54.840 0.045 0.000 0.755 83 L CB -0.300 41.789 42.059 0.051 0.000 0.904 83 L HN -0.002 nan 8.230 nan 0.000 0.435 84 V N 0.237 120.145 119.914 -0.010 0.000 2.548 84 V HA -0.235 3.885 4.120 -0.000 0.000 0.249 84 V C 2.280 178.372 176.094 -0.004 0.000 1.055 84 V CA 1.595 63.884 62.300 -0.018 0.000 1.065 84 V CB -0.546 31.255 31.823 -0.036 0.000 0.681 84 V HN 0.550 nan 8.190 nan 0.000 0.462 85 N N 0.011 118.711 118.700 -0.001 0.000 2.381 85 N HA -0.162 4.578 4.740 -0.000 0.000 0.182 85 N C 1.496 177.013 175.510 0.011 0.000 1.025 85 N CA 1.068 54.120 53.050 0.003 0.000 0.888 85 N CB 0.114 38.602 38.487 0.001 0.000 0.965 85 N HN 0.600 nan 8.380 nan 0.000 0.438 86 Q N -1.088 118.723 119.800 0.017 0.000 2.198 86 Q HA 0.219 4.559 4.340 -0.000 0.000 0.209 86 Q C 0.447 176.461 176.000 0.025 0.000 0.848 86 Q CA 0.180 55.997 55.803 0.023 0.000 0.974 86 Q CB 0.950 29.708 28.738 0.032 0.000 1.115 86 Q HN 0.422 nan 8.270 nan 0.000 0.494 87 G N 0.821 109.633 108.800 0.020 0.000 2.159 87 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.227 87 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.227 87 G C -0.228 174.686 174.900 0.023 0.000 0.986 87 G CA -0.402 44.712 45.100 0.022 0.000 0.651 87 G HN 0.199 nan 8.290 nan 0.000 0.523 88 E N 1.153 121.363 120.200 0.017 0.000 2.197 88 E HA 0.530 4.880 4.350 -0.000 0.000 0.281 88 E C 0.115 176.705 176.600 -0.018 0.000 0.995 88 E CA -0.231 56.176 56.400 0.011 0.000 0.808 88 E CB 1.549 31.260 29.700 0.019 0.000 1.093 88 E HN 0.215 nan 8.360 nan 0.000 0.394 89 S N 1.073 116.762 115.700 -0.018 0.000 2.592 89 S HA 0.362 4.832 4.470 -0.000 0.000 0.271 89 S C 0.105 174.638 174.600 -0.111 0.000 1.326 89 S CA -0.643 57.523 58.200 -0.057 0.000 1.024 89 S CB 0.987 64.167 63.200 -0.033 0.000 0.921 89 S HN 0.243 nan 8.310 nan 0.000 0.527 90 V N 1.348 121.142 119.914 -0.200 0.000 2.656 90 V HA 0.719 4.838 4.120 -0.000 0.000 0.307 90 V C -0.098 175.813 176.094 -0.305 0.000 1.051 90 V CA -0.923 61.181 62.300 -0.327 0.000 0.893 90 V CB 1.675 33.111 31.823 -0.645 0.000 0.999 90 V HN 0.979 nan 8.190 nan 0.000 0.426 91 A N 5.614 128.290 122.820 -0.239 0.000 2.292 91 A HA 0.847 5.167 4.320 -0.000 0.000 0.319 91 A C -0.572 176.924 177.584 -0.146 0.000 1.206 91 A CA -0.480 51.445 52.037 -0.186 0.000 0.835 91 A CB 0.431 19.361 19.000 -0.116 0.000 1.164 91 A HN 0.612 nan 8.150 nan 0.000 0.505 92 I N 1.087 121.576 120.570 -0.136 0.000 2.498 92 I HA 0.467 4.637 4.170 -0.000 0.000 0.301 92 I C 0.064 176.229 176.117 0.080 0.000 0.984 92 I CA -0.650 60.614 61.300 -0.060 0.000 1.204 92 I CB 0.944 38.855 38.000 -0.149 0.000 1.362 92 I HN 0.721 nan 8.210 nan 0.000 0.471 93 C N 6.640 126.063 119.300 0.205 0.000 2.505 93 C HA 0.632 5.092 4.460 -0.000 0.000 0.342 93 C C -0.399 174.671 174.990 0.133 0.000 1.121 93 C CA -0.275 58.839 59.018 0.159 0.000 1.306 93 C CB 0.927 28.778 27.740 0.185 0.000 1.897 93 C HN 0.894 nan 8.230 nan 0.000 0.446 109 K N 1.248 121.665 120.400 0.029 0.000 2.578 109 K HA 0.242 4.562 4.320 -0.000 0.000 0.269 109 K C -1.405 175.234 176.600 0.065 0.000 0.941 109 K CA -0.643 55.675 56.287 0.052 0.000 0.847 109 K CB 2.228 34.751 32.500 0.039 0.000 1.397 109 K HN 0.284 nan 8.250 nan 0.000 0.422 110 V N 4.143 124.111 119.914 0.090 0.000 2.390 110 V HA -0.001 4.119 4.120 -0.000 0.000 0.260 110 V C 0.985 177.106 176.094 0.045 0.000 1.043 110 V CA 0.220 62.572 62.300 0.086 0.000 1.047 110 V CB 0.770 32.677 31.823 0.139 0.000 1.066 110 V HN 0.648 nan 8.190 nan 0.000 0.481 111 V N 5.815 125.747 119.914 0.029 0.000 3.307 111 V HA 0.289 4.409 4.120 -0.000 0.000 0.253 111 V C 0.921 177.005 176.094 -0.016 0.000 1.149 111 V CA 0.857 63.166 62.300 0.015 0.000 1.112 111 V CB 0.158 32.001 31.823 0.034 0.000 0.777 111 V HN 0.862 nan 8.190 nan 0.000 0.464 112 R N -0.040 120.435 120.500 -0.042 0.000 2.604 112 R HA 0.528 4.868 4.340 -0.000 0.000 0.270 112 R C -2.017 174.203 176.300 -0.134 0.000 1.052 112 R CA -0.584 55.468 56.100 -0.080 0.000 0.902 112 R CB 1.839 32.100 30.300 -0.065 0.000 1.233 112 R HN 0.225 nan 8.270 nan 0.000 0.455 113 I N 4.178 124.654 120.570 -0.157 0.000 2.619 113 I HA 0.368 4.538 4.170 -0.000 0.000 0.292 113 I C -0.547 175.465 176.117 -0.175 0.000 1.100 113 I CA -1.258 59.923 61.300 -0.198 0.000 1.043 113 I CB 2.374 40.228 38.000 -0.243 0.000 1.239 113 I HN 0.428 nan 8.210 nan 0.000 0.420 114 V N 1.589 121.394 119.914 -0.182 0.000 2.444 114 V HA 0.739 4.859 4.120 -0.000 0.000 0.294 114 V C -0.098 175.923 176.094 -0.120 0.000 1.022 114 V CA -0.288 61.924 62.300 -0.147 0.000 0.850 114 V CB 1.235 32.966 31.823 -0.155 0.000 0.992 114 V HN 0.868 nan 8.190 nan 0.000 0.426 115 T N 2.193 116.696 114.554 -0.085 0.000 2.895 115 T HA 0.658 5.008 4.350 -0.000 0.000 0.283 115 T C -1.908 172.785 174.700 -0.013 0.000 1.014 115 T CA -2.050 60.033 62.100 -0.028 0.000 1.037 115 T CB 2.071 70.957 68.868 0.030 0.000 1.006 115 T HN 0.446 nan 8.240 nan 0.000 0.468 116 P HA 0.090 nan 4.420 nan 0.000 0.218 116 P C 1.377 178.682 177.300 0.008 0.000 1.148 116 P CA 0.971 64.072 63.100 0.002 0.000 0.822 116 P CB -0.143 31.563 31.700 0.010 0.000 0.784 117 G N -1.740 107.077 108.800 0.029 0.000 3.088 117 G HA2 0.012 3.971 3.960 -0.000 0.000 0.217 117 G HA3 0.012 3.971 3.960 -0.000 0.000 0.217 117 G C 0.788 175.696 174.900 0.013 0.000 1.159 117 G CA 0.587 45.702 45.100 0.024 0.000 0.760 117 G HN 0.355 nan 8.290 nan 0.000 0.550 118 T N -1.383 113.172 114.554 0.001 0.000 3.091 118 T HA 0.337 4.687 4.350 -0.000 0.000 0.277 118 T C 0.882 175.556 174.700 -0.043 0.000 0.996 118 T CA -0.513 61.569 62.100 -0.030 0.000 0.897 118 T CB -0.320 68.513 68.868 -0.059 0.000 1.109 118 T HN 0.292 nan 8.240 nan 0.000 0.534 119 I N 0.780 121.328 120.570 -0.037 0.000 2.696 119 I HA 0.586 4.756 4.170 -0.000 0.000 0.284 119 I C 0.883 176.981 176.117 -0.031 0.000 1.129 119 I CA -0.512 60.762 61.300 -0.042 0.000 1.410 119 I CB 1.132 39.107 38.000 -0.042 0.000 1.399 119 I HN 0.138 nan 8.210 nan 0.000 0.579 120 S N 0.900 116.579 115.700 -0.036 0.000 2.728 120 S HA 0.222 4.692 4.470 -0.000 0.000 0.257 120 S C 0.135 174.716 174.600 -0.032 0.000 1.060 120 S CA -0.558 57.624 58.200 -0.030 0.000 1.126 120 S CB -0.194 62.984 63.200 -0.037 0.000 1.099 120 S HN 0.724 nan 8.310 nan 0.000 0.617 121 D N 2.646 123.025 120.400 -0.036 0.000 2.399 121 D HA 0.142 4.781 4.640 -0.000 0.000 0.241 121 D C 0.977 177.261 176.300 -0.027 0.000 1.133 121 D CA 0.033 54.015 54.000 -0.031 0.000 0.890 121 D CB 0.799 41.578 40.800 -0.035 0.000 1.201 121 D HN 0.304 nan 8.370 nan 0.000 0.432 122 E N 1.184 121.371 120.200 -0.022 0.000 2.107 122 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 122 E C 1.620 178.207 176.600 -0.023 0.000 0.982 122 E CA 0.586 56.974 56.400 -0.021 0.000 0.809 122 E CB 0.129 29.819 29.700 -0.017 0.000 0.756 122 E HN 0.496 nan 8.360 nan 0.000 0.459 123 A N 0.890 123.695 122.820 -0.025 0.000 2.015 123 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 123 A C 2.033 179.598 177.584 -0.033 0.000 1.163 123 A CA 0.768 52.788 52.037 -0.029 0.000 0.646 123 A CB -0.313 18.668 19.000 -0.031 0.000 0.806 123 A HN 0.272 nan 8.150 nan 0.000 0.448 124 L N -1.089 120.114 121.223 -0.033 0.000 2.529 124 L HA 0.237 4.577 4.340 -0.000 0.000 0.223 124 L C 0.447 177.300 176.870 -0.028 0.000 1.113 124 L CA -0.051 54.768 54.840 -0.035 0.000 0.861 124 L CB -0.224 41.810 42.059 -0.041 0.000 1.012 124 L HN 0.254 nan 8.230 nan 0.000 0.461 125 L N -0.418 120.790 121.223 -0.024 0.000 2.331 125 L HA 0.368 4.708 4.340 -0.000 0.000 0.268 125 L C -0.305 176.555 176.870 -0.016 0.000 1.015 125 L CA -0.611 54.218 54.840 -0.018 0.000 0.807 125 L CB 1.629 43.679 42.059 -0.016 0.000 1.293 125 L HN 0.046 nan 8.230 nan 0.000 0.451 126 Q N 0.402 120.195 119.800 -0.012 0.000 2.322 126 Q HA 0.238 4.578 4.340 -0.000 0.000 0.265 126 Q C -0.034 175.961 176.000 -0.008 0.000 0.985 126 Q CA -0.503 55.294 55.803 -0.010 0.000 0.849 126 Q CB 2.596 31.331 28.738 -0.006 0.000 1.274 126 Q HN 0.519 nan 8.270 nan 0.000 0.449 127 E N 1.861 122.054 120.200 -0.010 0.000 2.065 127 E HA -0.222 4.128 4.350 -0.000 0.000 0.201 127 E C 0.746 177.340 176.600 -0.010 0.000 1.016 127 E CA 1.436 57.829 56.400 -0.012 0.000 0.818 127 E CB 0.267 29.959 29.700 -0.013 0.000 0.749 127 E HN 0.385 nan 8.360 nan 0.000 0.453 128 R N -0.179 120.317 120.500 -0.007 0.000 2.466 128 R HA 0.189 4.529 4.340 -0.000 0.000 0.279 128 R C -0.017 176.285 176.300 0.004 0.000 0.976 128 R CA -0.034 56.063 56.100 -0.005 0.000 1.081 128 R CB 0.642 30.939 30.300 -0.006 0.000 1.215 128 R HN 0.086 nan 8.270 nan 0.000 0.546 129 Q N 0.611 120.415 119.800 0.006 0.000 2.304 129 Q HA 0.168 4.508 4.340 -0.000 0.000 0.270 129 Q C -1.201 174.807 176.000 0.014 0.000 1.035 129 Q CA -0.724 55.088 55.803 0.015 0.000 0.781 129 Q CB 2.344 31.089 28.738 0.013 0.000 1.261 129 Q HN 0.049 nan 8.270 nan 0.000 0.444 130 D N 1.445 121.858 120.400 0.022 0.000 2.361 130 D HA 0.113 4.753 4.640 -0.000 0.000 0.239 130 D C -0.343 175.967 176.300 0.018 0.000 1.200 130 D CA 0.488 54.501 54.000 0.022 0.000 0.915 130 D CB 0.583 41.404 40.800 0.035 0.000 1.170 130 D HN 0.367 nan 8.370 nan 0.000 0.444 131 N N 0.456 119.165 118.700 0.016 0.000 2.699 131 N HA 0.256 4.996 4.740 -0.000 0.000 0.271 131 N C -1.719 173.797 175.510 0.010 0.000 1.216 131 N CA -0.272 52.785 53.050 0.011 0.000 0.844 131 N CB 0.378 38.868 38.487 0.004 0.000 1.462 131 N HN 0.185 nan 8.380 nan 0.000 0.555 132 L N 1.539 122.771 121.223 0.014 0.000 2.330 132 L HA 0.631 4.971 4.340 -0.000 0.000 0.271 132 L C -0.395 176.477 176.870 0.003 0.000 1.013 132 L CA -1.295 53.550 54.840 0.009 0.000 0.816 132 L CB 1.507 43.578 42.059 0.021 0.000 1.287 132 L HN 0.325 nan 8.230 nan 0.000 0.435 133 L N 2.119 123.335 121.223 -0.012 0.000 2.357 133 L HA 0.858 5.198 4.340 -0.000 0.000 0.273 133 L C -0.301 176.542 176.870 -0.046 0.000 1.080 133 L CA 0.131 54.961 54.840 -0.016 0.000 0.803 133 L CB 1.389 43.444 42.059 -0.008 0.000 1.174 133 L HN 0.752 nan 8.230 nan 0.000 0.443 134 A N 3.423 126.207 122.820 -0.060 0.000 2.556 134 A HA 0.972 5.292 4.320 -0.000 0.000 0.294 134 A C -1.544 175.982 177.584 -0.097 0.000 1.091 134 A CA -0.153 51.805 52.037 -0.132 0.000 0.704 134 A CB 1.569 20.512 19.000 -0.097 0.000 1.300 134 A HN 1.301 nan 8.150 nan 0.000 0.406 135 A N 0.874 123.618 122.820 -0.127 0.000 2.408 135 A HA 0.720 5.040 4.320 -0.000 0.000 0.295 135 A C -1.006 176.675 177.584 0.161 0.000 1.040 135 A CA -0.219 51.839 52.037 0.035 0.000 0.707 135 A CB 0.717 19.741 19.000 0.040 0.000 1.235 135 A HN 1.400 nan 8.150 nan 0.000 0.418 136 I N 3.135 123.857 120.570 0.253 0.000 2.693 136 I HA 0.887 5.057 4.170 -0.000 0.000 0.303 136 I C -1.427 174.845 176.117 0.258 0.000 1.025 136 I CA -0.641 60.853 61.300 0.323 0.000 1.086 136 I CB 1.741 39.870 38.000 0.214 0.000 1.268 136 I HN 0.889 nan 8.210 nan 0.000 0.440 137 W N 7.093 128.442 121.300 0.081 0.000 3.298 137 W HA 0.373 5.033 4.660 -0.000 0.000 0.302 137 W C -2.602 174.033 176.519 0.193 0.000 1.255 137 W CA -0.742 56.573 57.345 -0.051 0.000 1.196 137 W CB 1.078 30.257 29.460 -0.469 0.000 1.364 137 W HN 0.674 nan 8.180 nan 0.000 0.566 138 Q N 2.905 122.426 119.800 -0.465 0.000 2.342 138 Q HA 0.462 4.802 4.340 -0.000 0.000 0.267 138 Q C -1.572 173.756 176.000 -1.120 0.000 1.038 138 Q CA -0.255 55.134 55.803 -0.690 0.000 0.832 138 Q CB 2.528 31.019 28.738 -0.412 0.000 1.323 138 Q HN 0.391 nan 8.270 nan 0.000 0.448 139 D N -0.304 119.566 120.400 -0.882 0.000 2.467 139 D HA 0.254 4.894 4.640 -0.000 0.000 0.245 139 D C 0.436 176.480 176.300 -0.426 0.000 1.038 139 D CA -0.183 53.428 54.000 -0.649 0.000 1.038 139 D CB 1.739 42.278 40.800 -0.434 0.000 1.278 139 D HN 0.567 nan 8.370 nan 0.000 0.564 140 S N -0.144 115.389 115.700 -0.279 0.000 2.507 140 S HA -0.083 4.387 4.470 -0.000 0.000 0.235 140 S C 1.166 175.658 174.600 -0.180 0.000 0.988 140 S CA 0.843 58.921 58.200 -0.203 0.000 0.944 140 S CB 0.037 63.159 63.200 -0.129 0.000 0.762 140 S HN 0.269 nan 8.310 nan 0.000 0.526 141 K N 1.404 121.695 120.400 -0.182 0.000 2.107 141 K HA 0.533 4.853 4.320 -0.000 0.000 0.211 141 K C 1.243 177.725 176.600 -0.196 0.000 1.024 141 K CA 0.808 57.010 56.287 -0.143 0.000 0.953 141 K CB -0.454 31.995 32.500 -0.085 0.000 0.831 141 K HN 0.411 nan 8.250 nan 0.000 0.454 142 G N -1.147 107.508 108.800 -0.241 0.000 2.634 142 G HA2 0.452 4.412 3.960 -0.000 0.000 0.309 142 G HA3 0.452 4.412 3.960 -0.000 0.000 0.309 142 G C -1.373 173.315 174.900 -0.353 0.000 1.299 142 G CA -0.961 43.961 45.100 -0.297 0.000 0.798 142 G HN 0.013 nan 8.290 nan 0.000 0.490 143 F N 0.130 120.042 119.950 -0.063 0.000 2.403 143 F HA 0.594 5.121 4.527 -0.000 0.000 0.320 143 F C 1.145 176.988 175.800 0.071 0.000 1.176 143 F CA 0.648 58.636 58.000 -0.021 0.000 1.206 143 F CB 1.573 40.590 39.000 0.029 0.000 1.235 143 F HN 0.554 nan 8.300 nan 0.000 0.565 144 G N 0.612 109.658 108.800 0.409 0.000 2.687 144 G HA2 0.513 4.473 3.960 -0.000 0.000 0.301 144 G HA3 0.513 4.473 3.960 -0.000 0.000 0.301 144 G C -2.579 172.634 174.900 0.522 0.000 1.416 144 G CA -0.444 44.942 45.100 0.477 0.000 1.005 144 G HN 0.473 nan 8.290 nan 0.000 0.509 145 Y N 1.121 121.558 120.300 0.228 0.000 2.470 145 Y HA 0.716 5.266 4.550 -0.000 0.000 0.341 145 Y C -0.528 175.442 175.900 0.116 0.000 1.021 145 Y CA -0.813 57.384 58.100 0.162 0.000 1.025 145 Y CB 2.273 40.796 38.460 0.105 0.000 1.266 145 Y HN 0.941 nan 8.280 nan 0.000 0.448 146 A N 2.780 125.382 122.820 -0.363 0.000 2.539 146 A HA 0.832 5.152 4.320 -0.000 0.000 0.296 146 A C -0.981 176.363 177.584 -0.401 0.000 1.073 146 A CA -0.254 51.622 52.037 -0.268 0.000 0.700 146 A CB 1.443 20.396 19.000 -0.079 0.000 1.296 146 A HN 0.910 nan 8.150 nan 0.000 0.405 147 T N -0.871 113.602 114.554 -0.136 0.000 2.900 147 T HA 0.672 5.022 4.350 -0.000 0.000 0.295 147 T C -1.190 173.588 174.700 0.130 0.000 1.044 147 T CA -0.579 61.483 62.100 -0.063 0.000 0.995 147 T CB 1.317 70.149 68.868 -0.059 0.000 1.072 147 T HN 1.467 nan 8.240 nan 0.000 0.473 148 L N 1.985 123.218 121.223 0.017 0.000 2.385 148 L HA 0.672 5.012 4.340 -0.000 0.000 0.273 148 L C -1.237 175.599 176.870 -0.057 0.000 0.990 148 L CA -0.381 54.412 54.840 -0.078 0.000 0.821 148 L CB 1.979 43.846 42.059 -0.319 0.000 1.279 148 L HN 0.860 nan 8.230 nan 0.000 0.412 149 D N 4.435 124.811 120.400 -0.040 0.000 2.396 149 D HA 0.132 4.771 4.640 -0.000 0.000 0.225 149 D C 0.997 177.269 176.300 -0.047 0.000 1.121 149 D CA 0.065 54.053 54.000 -0.020 0.000 0.853 149 D CB 0.940 41.748 40.800 0.014 0.000 1.043 149 D HN 0.723 nan 8.370 nan 0.000 0.500 150 I N 2.716 123.263 120.570 -0.038 0.000 2.614 150 I HA -0.202 3.968 4.170 -0.000 0.000 0.258 150 I C 1.652 177.845 176.117 0.127 0.000 1.189 150 I CA 0.616 61.906 61.300 -0.017 0.000 1.462 150 I CB 0.369 38.358 38.000 -0.018 0.000 1.092 150 I HN 0.257 nan 8.210 nan 0.000 0.442 151 S N -0.200 115.552 115.700 0.087 0.000 2.362 151 S HA -0.119 4.351 4.470 -0.000 0.000 0.221 151 S C 1.991 176.691 174.600 0.166 0.000 1.032 151 S CA 1.407 59.671 58.200 0.106 0.000 0.973 151 S CB -0.093 63.130 63.200 0.038 0.000 0.849 151 S HN 0.653 nan 8.310 nan 0.000 0.465 152 S N 0.525 116.288 115.700 0.104 0.000 2.501 152 S HA 0.276 4.746 4.470 -0.000 0.000 0.220 152 S C 1.539 176.188 174.600 0.082 0.000 0.997 152 S CA 0.793 59.053 58.200 0.099 0.000 0.919 152 S CB -0.257 62.978 63.200 0.058 0.000 0.778 152 S HN 0.786 nan 8.310 nan 0.000 0.523 153 G N 1.684 110.475 108.800 -0.016 0.000 2.179 153 G HA2 -0.336 3.623 3.960 -0.000 0.000 0.257 153 G HA3 -0.336 3.623 3.960 -0.000 0.000 0.257 153 G C 0.023 174.891 174.900 -0.054 0.000 1.010 153 G CA 0.304 45.295 45.100 -0.182 0.000 0.736 153 G HN 0.780 nan 8.290 nan 0.000 0.513 154 R N -0.241 120.263 120.500 0.006 0.000 2.242 154 R HA 0.523 4.863 4.340 -0.000 0.000 0.334 154 R C -0.824 175.553 176.300 0.128 0.000 1.071 154 R CA -0.628 55.514 56.100 0.070 0.000 0.922 154 R CB 0.005 30.349 30.300 0.074 0.000 1.023 154 R HN 0.028 nan 8.270 nan 0.000 0.458 155 F N 5.074 125.003 119.950 -0.035 0.000 2.467 155 F HA 0.534 5.061 4.527 -0.000 0.000 0.336 155 F C -0.642 175.137 175.800 -0.035 0.000 1.123 155 F CA -1.142 56.833 58.000 -0.041 0.000 0.964 155 F CB 1.161 40.139 39.000 -0.036 0.000 1.136 155 F HN 0.500 nan 8.300 nan 0.000 0.447 156 R N 5.073 125.673 120.500 0.167 0.000 2.854 156 R HA 0.712 5.052 4.340 -0.000 0.000 0.271 156 R C -1.751 174.484 176.300 -0.108 0.000 0.994 156 R CA -1.127 54.971 56.100 -0.003 0.000 0.945 156 R CB 2.851 33.188 30.300 0.061 0.000 1.194 156 R HN 0.806 nan 8.270 nan 0.000 0.476 157 L N 0.174 121.352 121.223 -0.075 0.000 2.482 157 L HA 0.564 4.904 4.340 -0.000 0.000 0.263 157 L C -1.143 175.750 176.870 0.038 0.000 0.957 157 L CA -0.176 54.627 54.840 -0.061 0.000 0.836 157 L CB 2.134 44.108 42.059 -0.141 0.000 1.324 157 L HN 0.935 nan 8.230 nan 0.000 0.406 158 S N 2.004 117.769 115.700 0.109 0.000 2.625 158 S HA 0.605 5.075 4.470 -0.000 0.000 0.271 158 S C -1.172 173.530 174.600 0.169 0.000 1.161 158 S CA -0.827 57.455 58.200 0.136 0.000 0.820 158 S CB 2.107 65.406 63.200 0.165 0.000 1.137 158 S HN 0.705 nan 8.310 nan 0.000 0.470 159 E N 1.118 121.402 120.200 0.140 0.000 3.352 159 E HA 0.310 4.660 4.350 -0.000 0.000 0.254 159 E C -2.832 173.849 176.600 0.135 0.000 1.229 159 E CA -1.545 54.948 56.400 0.155 0.000 0.949 159 E CB 1.085 30.859 29.700 0.122 0.000 1.373 159 E HN 0.419 nan 8.360 nan 0.000 0.392 160 P HA -0.079 nan 4.420 nan 0.000 0.264 160 P C 0.358 177.758 177.300 0.168 0.000 1.183 160 P CA 0.287 63.450 63.100 0.105 0.000 0.763 160 P CB 0.980 32.694 31.700 0.023 0.000 0.807 161 A N 2.882 125.767 122.820 0.109 0.000 2.021 161 A HA 0.046 4.366 4.320 -0.000 0.000 0.216 161 A C 0.618 178.274 177.584 0.120 0.000 1.163 161 A CA 1.310 53.403 52.037 0.093 0.000 0.676 161 A CB -0.470 18.561 19.000 0.051 0.000 0.818 161 A HN 0.676 nan 8.150 nan 0.000 0.453 162 D N -3.217 117.273 120.400 0.150 0.000 2.744 162 D HA 0.290 4.930 4.640 -0.000 0.000 0.304 162 D C 0.724 177.138 176.300 0.190 0.000 1.179 162 D CA -0.275 53.833 54.000 0.181 0.000 1.024 162 D CB 0.216 41.060 40.800 0.073 0.000 1.453 162 D HN 0.044 nan 8.370 nan 0.000 0.529 163 R N -0.154 120.450 120.500 0.173 0.000 2.115 163 R HA -0.012 4.328 4.340 -0.000 0.000 0.226 163 R C 0.955 177.171 176.300 -0.139 0.000 1.100 163 R CA 1.317 57.401 56.100 -0.026 0.000 0.980 163 R CB -0.325 30.012 30.300 0.062 0.000 0.875 163 R HN 0.415 nan 8.270 nan 0.000 0.445 164 E N 0.603 120.765 120.200 -0.062 0.000 2.047 164 E HA -0.083 4.267 4.350 -0.000 0.000 0.191 164 E C 1.936 178.481 176.600 -0.093 0.000 0.987 164 E CA 1.998 58.362 56.400 -0.060 0.000 0.799 164 E CB -0.141 29.555 29.700 -0.005 0.000 0.752 164 E HN 0.303 nan 8.360 nan 0.000 0.449 165 T N 0.828 115.332 114.554 -0.083 0.000 2.720 165 T HA -0.219 4.131 4.350 -0.000 0.000 0.268 165 T C 1.821 176.411 174.700 -0.183 0.000 1.037 165 T CA 1.575 63.615 62.100 -0.100 0.000 1.144 165 T CB -0.226 68.609 68.868 -0.055 0.000 0.864 165 T HN 0.081 nan 8.240 nan 0.000 0.444 166 M N 1.624 121.055 119.600 -0.281 0.000 2.117 166 M HA 0.065 4.545 4.480 -0.000 0.000 0.262 166 M C 2.297 178.356 176.300 -0.401 0.000 1.065 166 M CA 1.573 56.597 55.300 -0.460 0.000 1.114 166 M CB -0.654 31.404 32.600 -0.903 0.000 1.361 166 M HN 0.200 nan 8.290 nan 0.000 0.408 167 A N -0.412 122.227 122.820 -0.302 0.000 1.972 167 A HA 0.076 4.395 4.320 -0.000 0.000 0.219 167 A C 2.315 179.792 177.584 -0.179 0.000 1.169 167 A CA 1.809 53.717 52.037 -0.216 0.000 0.635 167 A CB -1.300 17.610 19.000 -0.150 0.000 0.810 167 A HN 0.640 nan 8.150 nan 0.000 0.446 168 A N -0.642 122.079 122.820 -0.164 0.000 2.014 168 A HA -0.072 4.247 4.320 -0.000 0.000 0.218 168 A C 1.936 179.432 177.584 -0.146 0.000 1.163 168 A CA 1.359 53.317 52.037 -0.132 0.000 0.652 168 A CB -0.281 18.652 19.000 -0.111 0.000 0.808 168 A HN 0.493 nan 8.150 nan 0.000 0.449 169 E N -0.099 119.977 120.200 -0.207 0.000 2.158 169 E HA -0.056 4.294 4.350 -0.000 0.000 0.191 169 E C 1.981 178.433 176.600 -0.247 0.000 0.982 169 E CA 0.661 56.926 56.400 -0.226 0.000 0.823 169 E CB -0.215 29.273 29.700 -0.354 0.000 0.766 169 E HN 0.659 nan 8.360 nan 0.000 0.468 170 L N 0.689 121.728 121.223 -0.306 0.000 2.027 170 L HA -0.214 4.126 4.340 -0.000 0.000 0.206 170 L C 2.807 179.616 176.870 -0.102 0.000 1.074 170 L CA 1.212 55.931 54.840 -0.201 0.000 0.745 170 L CB -0.355 41.582 42.059 -0.203 0.000 0.898 170 L HN 0.099 nan 8.230 nan 0.000 0.433 171 Q N 0.566 120.298 119.800 -0.113 0.000 2.050 171 Q HA -0.263 4.077 4.340 -0.000 0.000 0.202 171 Q C 2.288 178.216 176.000 -0.120 0.000 0.980 171 Q CA 1.821 57.567 55.803 -0.095 0.000 0.840 171 Q CB -0.185 28.501 28.738 -0.087 0.000 0.898 171 Q HN 0.224 nan 8.270 nan 0.000 0.424 172 R N -0.647 119.775 120.500 -0.129 0.000 2.083 172 R HA -0.145 4.195 4.340 -0.000 0.000 0.237 172 R C 2.080 178.300 176.300 -0.134 0.000 1.137 172 R CA 2.163 58.162 56.100 -0.169 0.000 0.951 172 R CB -0.453 29.795 30.300 -0.087 0.000 0.851 172 R HN 0.592 nan 8.270 nan 0.000 0.434 173 T N -2.179 112.358 114.554 -0.029 0.000 3.054 173 T HA -0.024 4.326 4.350 -0.000 0.000 0.259 173 T C 0.736 175.454 174.700 0.030 0.000 1.092 173 T CA 0.419 62.546 62.100 0.045 0.000 1.121 173 T CB -0.261 68.715 68.868 0.178 0.000 0.912 173 T HN 0.383 nan 8.240 nan 0.000 0.489 174 N N 2.601 121.304 118.700 0.005 0.000 2.686 174 N HA -0.096 4.644 4.740 -0.000 0.000 0.261 174 N C -2.572 172.956 175.510 0.030 0.000 1.001 174 N CA 0.333 53.384 53.050 0.003 0.000 0.764 174 N CB -0.728 37.743 38.487 -0.025 0.000 0.898 174 N HN 0.399 nan 8.380 nan 0.000 0.544 175 P HA 0.093 nan 4.420 nan 0.000 0.267 175 P C 0.488 177.808 177.300 0.034 0.000 1.205 175 P CA 0.184 63.318 63.100 0.056 0.000 0.765 175 P CB 0.880 32.633 31.700 0.088 0.000 0.828 176 A N 3.042 125.877 122.820 0.024 0.000 2.067 176 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 176 A C 0.943 178.539 177.584 0.020 0.000 1.158 176 A CA 1.217 53.265 52.037 0.018 0.000 0.661 176 A CB -0.458 18.550 19.000 0.013 0.000 0.801 176 A HN 0.699 nan 8.150 nan 0.000 0.452 177 E N -0.945 119.266 120.200 0.018 0.000 2.307 177 E HA 0.517 4.867 4.350 -0.000 0.000 0.280 177 E C -1.948 174.648 176.600 -0.006 0.000 0.900 177 E CA -0.416 55.989 56.400 0.008 0.000 0.790 177 E CB 1.159 30.868 29.700 0.016 0.000 1.261 177 E HN 0.222 nan 8.360 nan 0.000 0.405 178 L N 6.472 127.698 121.223 0.006 0.000 2.316 178 L HA 0.465 4.805 4.340 -0.000 0.000 0.280 178 L C -0.854 176.029 176.870 0.022 0.000 1.006 178 L CA -0.745 54.113 54.840 0.030 0.000 0.836 178 L CB 0.757 42.857 42.059 0.069 0.000 1.221 178 L HN 0.544 nan 8.230 nan 0.000 0.418 179 L N 5.561 126.750 121.223 -0.057 0.000 2.367 179 L HA 0.307 4.647 4.340 -0.000 0.000 0.275 179 L C -0.564 176.373 176.870 0.110 0.000 1.129 179 L CA -0.313 54.474 54.840 -0.089 0.000 0.839 179 L CB 0.285 42.217 42.059 -0.213 0.000 1.133 179 L HN 0.494 nan 8.230 nan 0.000 0.453 180 Y N 1.731 121.996 120.300 -0.057 0.000 2.638 180 Y HA 0.861 5.411 4.550 -0.000 0.000 0.339 180 Y C -0.452 175.419 175.900 -0.048 0.000 1.084 180 Y CA -1.469 56.542 58.100 -0.149 0.000 1.068 180 Y CB 1.173 39.381 38.460 -0.419 0.000 1.294 180 Y HN 0.537 nan 8.280 nan 0.000 0.480 181 A N 1.290 124.039 122.820 -0.118 0.000 2.279 181 A HA 0.389 4.709 4.320 -0.000 0.000 0.303 181 A C 0.733 178.356 177.584 0.066 0.000 1.108 181 A CA -0.413 51.563 52.037 -0.102 0.000 0.830 181 A CB 0.401 19.212 19.000 -0.316 0.000 1.106 181 A HN 0.985 nan 8.150 nan 0.000 0.493 182 E N 0.343 120.579 120.200 0.060 0.000 2.023 182 E HA -0.169 4.181 4.350 -0.000 0.000 0.196 182 E C -0.379 176.331 176.600 0.182 0.000 1.003 182 E CA 1.365 57.829 56.400 0.106 0.000 0.809 182 E CB -0.109 29.643 29.700 0.087 0.000 0.755 182 E HN 0.681 nan 8.360 nan 0.000 0.449 183 D N 0.044 120.541 120.400 0.162 0.000 2.441 183 D HA 0.116 4.756 4.640 -0.000 0.000 0.243 183 D C -1.357 175.066 176.300 0.204 0.000 1.257 183 D CA 0.407 54.491 54.000 0.141 0.000 1.027 183 D CB -0.357 40.506 40.800 0.104 0.000 1.084 183 D HN -0.058 nan 8.370 nan 0.000 0.514 184 F N 1.133 121.107 119.950 0.041 0.000 2.617 184 F HA 0.493 5.020 4.527 -0.000 0.000 0.325 184 F C 0.518 176.324 175.800 0.011 0.000 1.179 184 F CA -0.909 57.108 58.000 0.029 0.000 0.965 184 F CB 1.076 40.157 39.000 0.135 0.000 1.232 184 F HN 0.195 nan 8.300 nan 0.000 0.461 185 A N 3.722 126.206 122.820 -0.560 0.000 1.861 185 A HA 0.068 4.388 4.320 -0.000 0.000 0.212 185 A C 0.897 178.198 177.584 -0.470 0.000 1.199 185 A CA 0.723 52.520 52.037 -0.400 0.000 0.613 185 A CB -0.255 18.548 19.000 -0.328 0.000 0.846 185 A HN 0.611 nan 8.150 nan 0.000 0.446 186 E N 0.847 120.578 120.200 -0.781 0.000 2.148 186 E HA 0.120 4.470 4.350 -0.000 0.000 0.308 186 E C 0.290 176.724 176.600 -0.278 0.000 1.278 186 E CA -0.206 55.937 56.400 -0.428 0.000 1.368 186 E CB 0.189 29.767 29.700 -0.204 0.000 1.229 186 E HN 0.438 nan 8.360 nan 0.000 0.494 187 M N 0.190 119.708 119.600 -0.136 0.000 2.476 187 M HA -0.094 4.386 4.480 -0.000 0.000 0.262 187 M C 1.938 178.244 176.300 0.010 0.000 1.079 187 M CA 0.827 56.150 55.300 0.039 0.000 1.104 187 M CB -0.630 31.989 32.600 0.031 0.000 1.409 187 M HN 0.152 nan 8.290 nan 0.000 0.467 188 S N 0.195 115.883 115.700 -0.021 0.000 2.447 188 S HA -0.074 4.395 4.470 -0.000 0.000 0.233 188 S C 1.924 176.512 174.600 -0.021 0.000 1.006 188 S CA 0.750 58.937 58.200 -0.021 0.000 0.957 188 S CB -0.775 62.409 63.200 -0.028 0.000 0.773 188 S HN 0.455 nan 8.310 nan 0.000 0.507 189 L N 0.993 122.210 121.223 -0.009 0.000 2.083 189 L HA 0.085 4.425 4.340 -0.000 0.000 0.209 189 L C 2.119 178.973 176.870 -0.026 0.000 1.083 189 L CA 1.455 56.280 54.840 -0.025 0.000 0.752 189 L CB -0.394 41.655 42.059 -0.016 0.000 0.899 189 L HN 0.526 nan 8.230 nan 0.000 0.433 190 I N -5.799 114.766 120.570 -0.008 0.000 3.947 190 I HA 0.178 4.348 4.170 -0.000 0.000 0.327 190 I C 1.511 177.578 176.117 -0.084 0.000 1.519 190 I CA -0.075 61.187 61.300 -0.063 0.000 1.122 190 I CB 0.200 38.122 38.000 -0.130 0.000 1.146 190 I HN 0.034 nan 8.210 nan 0.000 0.442 191 E N 2.262 122.431 120.200 -0.051 0.000 2.047 191 E HA -0.075 4.274 4.350 -0.000 0.000 0.191 191 E C 2.205 178.791 176.600 -0.025 0.000 0.987 191 E CA 1.561 57.937 56.400 -0.041 0.000 0.799 191 E CB -0.053 29.636 29.700 -0.020 0.000 0.752 191 E HN 0.692 nan 8.360 nan 0.000 0.449 192 G N 0.511 109.299 108.800 -0.018 0.000 2.623 192 G HA2 -0.083 3.876 3.960 -0.000 0.000 0.214 192 G HA3 -0.083 3.876 3.960 -0.000 0.000 0.214 192 G C 0.566 175.463 174.900 -0.005 0.000 1.138 192 G CA -0.280 44.815 45.100 -0.007 0.000 0.794 192 G HN 0.018 nan 8.290 nan 0.000 0.535 193 R N 0.979 121.471 120.500 -0.014 0.000 2.679 193 R HA 0.166 4.506 4.340 -0.000 0.000 0.268 193 R C 0.791 177.095 176.300 0.007 0.000 1.044 193 R CA -0.284 55.812 56.100 -0.007 0.000 1.105 193 R CB 0.549 30.840 30.300 -0.014 0.000 0.989 193 R HN 0.376 nan 8.270 nan 0.000 0.447 194 R N 0.511 121.020 120.500 0.014 0.000 2.637 194 R HA 0.193 4.533 4.340 -0.000 0.000 0.269 194 R C 0.426 176.743 176.300 0.029 0.000 1.089 194 R CA 0.371 56.485 56.100 0.023 0.000 1.177 194 R CB 0.322 30.635 30.300 0.021 0.000 1.091 194 R HN 0.781 nan 8.270 nan 0.000 0.540 195 G N 0.940 109.761 108.800 0.034 0.000 2.160 195 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.251 195 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.251 195 G C 0.023 174.950 174.900 0.044 0.000 1.008 195 G CA 0.264 45.384 45.100 0.034 0.000 0.724 195 G HN 0.470 nan 8.290 nan 0.000 0.514 196 L N -0.024 121.244 121.223 0.076 0.000 2.426 196 L HA 0.508 4.848 4.340 -0.000 0.000 0.271 196 L C 0.730 177.683 176.870 0.138 0.000 1.169 196 L CA -0.250 54.686 54.840 0.160 0.000 0.836 196 L CB 0.601 42.782 42.059 0.203 0.000 1.112 196 L HN 0.043 nan 8.230 nan 0.000 0.465 197 R N 3.207 123.768 120.500 0.103 0.000 2.721 197 R HA 0.192 4.532 4.340 -0.000 0.000 0.272 197 R C -0.680 175.387 176.300 -0.388 0.000 1.721 197 R CA -0.701 55.325 56.100 -0.125 0.000 1.325 197 R CB 1.098 31.252 30.300 -0.244 0.000 1.271 197 R HN 0.583 nan 8.270 nan 0.000 0.556 198 R N 2.340 122.553 120.500 -0.478 0.000 2.522 198 R HA 0.131 4.471 4.340 -0.000 0.000 0.284 198 R C -0.572 175.487 176.300 -0.401 0.000 1.032 198 R CA 0.303 55.956 56.100 -0.745 0.000 1.049 198 R CB 0.610 30.679 30.300 -0.385 0.000 0.956 198 R HN 0.186 nan 8.270 nan 0.000 0.422 199 R N 4.506 124.794 120.500 -0.354 0.000 2.744 199 R HA 0.432 4.772 4.340 -0.000 0.000 0.279 199 R C -2.598 173.640 176.300 -0.104 0.000 0.977 199 R CA -2.870 53.114 56.100 -0.192 0.000 0.906 199 R CB 1.305 31.508 30.300 -0.162 0.000 1.197 199 R HN 0.587 nan 8.270 nan 0.000 0.463 200 P HA 0.101 nan 4.420 nan 0.000 0.269 200 P C 0.875 178.095 177.300 -0.135 0.000 1.217 200 P CA -0.211 62.781 63.100 -0.179 0.000 0.783 200 P CB 0.750 32.222 31.700 -0.381 0.000 0.898 201 L N 1.583 122.837 121.223 0.050 0.000 2.156 201 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 201 L C 2.145 179.106 176.870 0.152 0.000 1.095 201 L CA 1.034 55.981 54.840 0.177 0.000 0.770 201 L CB -0.578 41.608 42.059 0.211 0.000 0.914 201 L HN 0.615 nan 8.230 nan 0.000 0.439 202 W N 0.109 121.471 121.300 0.103 0.000 2.421 202 W HA -0.157 4.503 4.660 -0.000 0.000 0.270 202 W C 1.314 177.818 176.519 -0.026 0.000 1.233 202 W CA 0.416 57.784 57.345 0.038 0.000 1.226 202 W CB -0.910 28.559 29.460 0.016 0.000 1.121 202 W HN 0.244 nan 8.180 nan 0.000 0.579 203 E N 0.169 119.918 120.200 -0.750 0.000 2.409 203 E HA -0.107 4.243 4.350 -0.000 0.000 0.198 203 E C 0.454 176.604 176.600 -0.750 0.000 1.024 203 E CA 0.788 56.667 56.400 -0.869 0.000 0.861 203 E CB -0.392 28.631 29.700 -1.130 0.000 0.788 203 E HN 0.303 nan 8.360 nan 0.000 0.521 204 F N 0.614 120.321 119.950 -0.406 0.000 2.708 204 F HA 0.168 4.694 4.527 -0.000 0.000 0.300 204 F C 0.841 176.367 175.800 -0.456 0.000 1.118 204 F CA -0.329 57.327 58.000 -0.574 0.000 1.307 204 F CB 0.539 38.944 39.000 -0.992 0.000 0.986 204 F HN -0.210 nan 8.300 nan 0.000 0.522 205 E N 1.268 121.413 120.200 -0.092 0.000 2.360 205 E HA 0.020 4.369 4.350 -0.000 0.000 0.269 205 E C 1.182 177.758 176.600 -0.039 0.000 1.022 205 E CA 0.025 56.416 56.400 -0.015 0.000 0.887 205 E CB 1.132 30.871 29.700 0.066 0.000 0.990 205 E HN 0.284 nan 8.360 nan 0.000 0.426 206 I N 4.315 124.885 120.570 -0.001 0.000 2.202 206 I HA -0.243 3.927 4.170 -0.000 0.000 0.242 206 I C 1.308 177.430 176.117 0.010 0.000 1.091 206 I CA 1.569 62.873 61.300 0.008 0.000 1.368 206 I CB -0.096 37.936 38.000 0.052 0.000 1.058 206 I HN 0.488 nan 8.210 nan 0.000 0.410 207 D N -0.279 120.134 120.400 0.023 0.000 2.144 207 D HA -0.147 4.493 4.640 -0.000 0.000 0.199 207 D C 2.171 178.477 176.300 0.011 0.000 0.984 207 D CA 1.794 55.807 54.000 0.021 0.000 0.834 207 D CB -0.397 40.419 40.800 0.028 0.000 0.955 207 D HN 0.347 nan 8.370 nan 0.000 0.465 208 T N 0.660 115.220 114.554 0.010 0.000 2.777 208 T HA -0.058 4.292 4.350 -0.000 0.000 0.266 208 T C 2.010 176.695 174.700 -0.025 0.000 1.040 208 T CA 1.290 63.392 62.100 0.004 0.000 1.141 208 T CB -0.169 68.718 68.868 0.031 0.000 0.868 208 T HN 0.181 nan 8.240 nan 0.000 0.444 209 A N 1.506 124.299 122.820 -0.045 0.000 1.972 209 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 209 A C 2.359 179.915 177.584 -0.047 0.000 1.169 209 A CA 1.279 53.274 52.037 -0.070 0.000 0.635 209 A CB -0.424 18.519 19.000 -0.095 0.000 0.810 209 A HN 0.362 nan 8.150 nan 0.000 0.446 210 R N -1.033 119.456 120.500 -0.018 0.000 2.066 210 R HA -0.128 4.212 4.340 -0.000 0.000 0.232 210 R C 2.585 178.883 176.300 -0.003 0.000 1.131 210 R CA 1.388 57.490 56.100 0.004 0.000 0.955 210 R CB -0.298 30.016 30.300 0.023 0.000 0.851 210 R HN 0.693 nan 8.270 nan 0.000 0.432 211 Q N 1.111 120.906 119.800 -0.009 0.000 2.050 211 Q HA -0.231 4.109 4.340 -0.000 0.000 0.202 211 Q C 1.815 177.791 176.000 -0.040 0.000 0.980 211 Q CA 1.790 57.586 55.803 -0.011 0.000 0.840 211 Q CB 0.072 28.805 28.738 -0.007 0.000 0.898 211 Q HN 0.461 nan 8.270 nan 0.000 0.424 212 Q N 0.017 119.780 119.800 -0.062 0.000 2.079 212 Q HA -0.072 4.268 4.340 -0.000 0.000 0.200 212 Q C 2.386 178.280 176.000 -0.177 0.000 0.974 212 Q CA 1.248 56.991 55.803 -0.100 0.000 0.840 212 Q CB -0.017 28.664 28.738 -0.095 0.000 0.898 212 Q HN 0.346 nan 8.270 nan 0.000 0.430 213 L N 0.795 121.908 121.223 -0.183 0.000 2.046 213 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 213 L C 2.040 178.688 176.870 -0.370 0.000 1.077 213 L CA 0.841 55.470 54.840 -0.351 0.000 0.747 213 L CB -0.424 41.546 42.059 -0.148 0.000 0.896 213 L HN 0.312 nan 8.230 nan 0.000 0.432 214 N N -0.093 118.565 118.700 -0.071 0.000 2.289 214 N HA -0.169 4.571 4.740 -0.000 0.000 0.184 214 N C 1.803 177.321 175.510 0.013 0.000 1.016 214 N CA 1.053 54.140 53.050 0.062 0.000 0.872 214 N CB -0.059 38.481 38.487 0.088 0.000 0.973 214 N HN 0.176 nan 8.380 nan 0.000 0.433 215 L N 1.880 123.064 121.223 -0.065 0.000 2.027 215 L HA -0.129 4.211 4.340 -0.000 0.000 0.206 215 L C 2.437 179.249 176.870 -0.096 0.000 1.074 215 L CA 1.650 56.455 54.840 -0.058 0.000 0.745 215 L CB -0.954 41.066 42.059 -0.066 0.000 0.898 215 L HN 0.006 nan 8.230 nan 0.000 0.433 216 Q N -0.904 118.748 119.800 -0.248 0.000 2.197 216 Q HA -0.225 4.115 4.340 -0.000 0.000 0.207 216 Q C 1.589 177.495 176.000 -0.157 0.000 0.984 216 Q CA 2.089 57.698 55.803 -0.324 0.000 0.869 216 Q CB -0.271 28.088 28.738 -0.632 0.000 0.906 216 Q HN 0.511 nan 8.270 nan 0.000 0.426 217 F N -1.752 118.224 119.950 0.044 0.000 2.721 217 F HA 0.405 4.931 4.527 -0.000 0.000 0.301 217 F C 1.578 177.459 175.800 0.134 0.000 1.096 217 F CA 0.204 58.262 58.000 0.097 0.000 1.308 217 F CB 0.087 39.168 39.000 0.135 0.000 1.086 217 F HN 0.157 nan 8.300 nan 0.000 0.587 218 G N 1.479 110.422 108.800 0.238 0.000 2.176 218 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.252 218 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.252 218 G C 0.266 175.269 174.900 0.171 0.000 1.024 218 G CA 0.553 45.753 45.100 0.166 0.000 0.755 218 G HN 0.521 nan 8.290 nan 0.000 0.507 219 T N -3.475 111.211 114.554 0.221 0.000 2.942 219 T HA 0.716 5.066 4.350 -0.000 0.000 0.289 219 T C 1.217 175.998 174.700 0.136 0.000 1.044 219 T CA -0.100 62.114 62.100 0.189 0.000 1.023 219 T CB 1.799 70.845 68.868 0.297 0.000 1.123 219 T HN 0.552 nan 8.240 nan 0.000 0.512 220 R N 0.402 120.960 120.500 0.097 0.000 2.156 220 R HA 0.290 4.630 4.340 -0.000 0.000 0.207 220 R C -0.094 176.256 176.300 0.084 0.000 1.040 220 R CA 0.453 56.598 56.100 0.074 0.000 1.013 220 R CB -0.315 30.013 30.300 0.048 0.000 0.931 220 R HN 0.737 nan 8.270 nan 0.000 0.465 221 D N -0.706 119.752 120.400 0.097 0.000 2.636 221 D HA 0.195 4.835 4.640 -0.000 0.000 0.275 221 D C 0.024 176.421 176.300 0.161 0.000 1.130 221 D CA -0.966 53.097 54.000 0.105 0.000 1.031 221 D CB 0.824 41.663 40.800 0.064 0.000 1.451 221 D HN 0.020 nan 8.370 nan 0.000 0.505 222 L N 0.714 122.039 121.223 0.170 0.000 2.818 222 L HA 0.223 4.562 4.340 -0.000 0.000 0.243 222 L C 1.410 178.379 176.870 0.165 0.000 1.185 222 L CA -0.262 54.742 54.840 0.274 0.000 0.988 222 L CB 0.452 42.666 42.059 0.258 0.000 1.292 222 L HN 0.283 nan 8.230 nan 0.000 0.519 223 V N 0.711 120.661 119.914 0.060 0.000 2.469 223 V HA -0.220 3.900 4.120 -0.000 0.000 0.251 223 V C 2.502 178.555 176.094 -0.067 0.000 1.064 223 V CA 2.269 64.572 62.300 0.004 0.000 1.066 223 V CB -0.792 31.024 31.823 -0.011 0.000 0.667 223 V HN 0.646 nan 8.190 nan 0.000 0.461 224 G N -1.062 107.623 108.800 -0.192 0.000 2.484 224 G HA2 -0.153 3.806 3.960 -0.000 0.000 0.218 224 G HA3 -0.153 3.806 3.960 -0.000 0.000 0.218 224 G C 1.148 175.756 174.900 -0.486 0.000 1.130 224 G CA 0.372 45.240 45.100 -0.387 0.000 0.784 224 G HN 0.557 nan 8.290 nan 0.000 0.543 225 F N 0.140 120.042 119.950 -0.079 0.000 2.727 225 F HA 0.367 4.894 4.527 -0.000 0.000 0.302 225 F C 1.846 177.603 175.800 -0.072 0.000 1.097 225 F CA -0.117 57.819 58.000 -0.107 0.000 1.330 225 F CB 0.321 39.210 39.000 -0.184 0.000 1.084 225 F HN 0.168 nan 8.300 nan 0.000 0.578 226 G N 1.137 109.987 108.800 0.084 0.000 2.182 226 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.248 226 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.248 226 G C 0.493 175.427 174.900 0.056 0.000 1.042 226 G CA 0.490 45.618 45.100 0.048 0.000 0.775 226 G HN 0.738 nan 8.290 nan 0.000 0.501 227 V N -3.377 116.584 119.914 0.077 0.000 3.337 227 V HA 0.583 4.703 4.120 -0.000 0.000 0.307 227 V C 1.454 177.585 176.094 0.062 0.000 1.505 227 V CA 1.254 63.588 62.300 0.057 0.000 1.072 227 V CB 0.808 32.650 31.823 0.032 0.000 0.929 227 V HN 0.293 nan 8.190 nan 0.000 0.455 228 E N 3.484 123.725 120.200 0.068 0.000 2.204 228 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 228 E C 1.418 178.050 176.600 0.054 0.000 0.989 228 E CA 1.720 58.160 56.400 0.066 0.000 0.824 228 E CB -0.089 29.649 29.700 0.063 0.000 0.756 228 E HN 0.886 nan 8.360 nan 0.000 0.477 229 N N 0.284 119.012 118.700 0.047 0.000 2.546 229 N HA 0.169 4.909 4.740 -0.000 0.000 0.286 229 N C -0.946 174.594 175.510 0.050 0.000 1.259 229 N CA 0.232 53.309 53.050 0.045 0.000 0.939 229 N CB 0.954 39.463 38.487 0.036 0.000 1.243 229 N HN 0.108 nan 8.380 nan 0.000 0.511 230 A N 1.032 123.887 122.820 0.057 0.000 3.297 230 A HA 0.405 4.725 4.320 -0.000 0.000 0.304 230 A C -1.617 176.018 177.584 0.086 0.000 0.963 230 A CA -0.987 51.091 52.037 0.067 0.000 0.935 230 A CB 0.918 19.953 19.000 0.057 0.000 1.093 230 A HN 0.142 nan 8.150 nan 0.000 0.480 231 P HA -0.208 nan 4.420 nan 0.000 0.217 231 P C 1.349 178.758 177.300 0.182 0.000 1.150 231 P CA 1.045 64.215 63.100 0.116 0.000 0.832 231 P CB 0.180 31.949 31.700 0.116 0.000 0.787 232 R N -0.204 120.441 120.500 0.241 0.000 2.073 232 R HA -0.050 4.290 4.340 -0.000 0.000 0.234 232 R C 2.797 179.327 176.300 0.382 0.000 1.134 232 R CA 1.723 58.078 56.100 0.427 0.000 0.952 232 R CB -1.487 29.006 30.300 0.323 0.000 0.850 232 R HN 0.248 nan 8.270 nan 0.000 0.433 233 G N 1.254 110.193 108.800 0.232 0.000 2.422 233 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.218 233 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.218 233 G C 1.483 176.430 174.900 0.077 0.000 1.146 233 G CA 0.362 45.561 45.100 0.166 0.000 0.769 233 G HN 0.113 nan 8.290 nan 0.000 0.547 234 L N 0.008 121.262 121.223 0.052 0.000 2.083 234 L HA -0.114 4.226 4.340 -0.000 0.000 0.209 234 L C 2.966 179.814 176.870 -0.037 0.000 1.083 234 L CA 0.637 55.472 54.840 -0.008 0.000 0.752 234 L CB -0.407 41.660 42.059 0.013 0.000 0.899 234 L HN 0.257 nan 8.230 nan 0.000 0.433 235 C N -0.528 118.754 119.300 -0.031 0.000 2.422 235 C HA -0.115 4.345 4.460 -0.000 0.000 0.279 235 C C 3.070 177.960 174.990 -0.167 0.000 1.305 235 C CA 0.745 59.650 59.018 -0.188 0.000 1.757 235 C CB -0.943 26.543 27.740 -0.423 0.000 1.962 235 C HN 0.614 nan 8.230 nan 0.000 0.499 236 A N 0.262 123.075 122.820 -0.012 0.000 1.897 236 A HA 0.191 4.511 4.320 -0.000 0.000 0.215 236 A C 2.331 179.909 177.584 -0.010 0.000 1.181 236 A CA 1.681 53.782 52.037 0.106 0.000 0.620 236 A CB -0.780 18.355 19.000 0.225 0.000 0.821 236 A HN 0.531 nan 8.150 nan 0.000 0.443 237 A N -0.473 122.330 122.820 -0.029 0.000 2.015 237 A HA 0.186 4.506 4.320 -0.000 0.000 0.219 237 A C 2.265 179.867 177.584 0.029 0.000 1.163 237 A CA 1.680 53.715 52.037 -0.003 0.000 0.646 237 A CB -1.074 17.786 19.000 -0.233 0.000 0.806 237 A HN 0.648 nan 8.150 nan 0.000 0.448 238 G N -1.144 107.599 108.800 -0.094 0.000 2.403 238 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.216 238 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.216 238 G C 1.742 176.507 174.900 -0.225 0.000 1.154 238 G CA 1.209 46.224 45.100 -0.141 0.000 0.784 238 G HN 0.615 nan 8.290 nan 0.000 0.538 239 C N -0.005 119.068 119.300 -0.379 0.000 2.486 239 C HA 0.229 4.689 4.460 -0.000 0.000 0.279 239 C C 2.708 177.531 174.990 -0.279 0.000 1.302 239 C CA 0.780 59.471 59.018 -0.545 0.000 1.720 239 C CB -1.060 25.988 27.740 -1.153 0.000 2.030 239 C HN 0.403 nan 8.230 nan 0.000 0.490 240 L N 0.525 121.653 121.223 -0.158 0.000 2.042 240 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 240 L C 2.381 179.228 176.870 -0.038 0.000 1.076 240 L CA 1.989 56.796 54.840 -0.054 0.000 0.749 240 L CB -0.488 41.589 42.059 0.030 0.000 0.893 240 L HN 0.480 nan 8.230 nan 0.000 0.432 241 L N -0.796 120.400 121.223 -0.044 0.000 2.131 241 L HA -0.130 4.209 4.340 -0.000 0.000 0.206 241 L C 2.536 179.342 176.870 -0.106 0.000 1.087 241 L CA 1.385 56.160 54.840 -0.109 0.000 0.767 241 L CB -0.636 41.385 42.059 -0.064 0.000 0.917 241 L HN 0.257 nan 8.230 nan 0.000 0.441 242 Q N -0.813 118.927 119.800 -0.101 0.000 2.077 242 Q HA -0.294 4.046 4.340 -0.000 0.000 0.206 242 Q C 2.242 178.202 176.000 -0.066 0.000 0.989 242 Q CA 2.385 58.131 55.803 -0.095 0.000 0.853 242 Q CB -0.833 27.829 28.738 -0.126 0.000 0.907 242 Q HN 0.667 nan 8.270 nan 0.000 0.418 243 Y N 0.722 120.916 120.300 -0.177 0.000 2.224 243 Y HA -0.180 4.370 4.550 -0.000 0.000 0.289 243 Y C 2.135 177.957 175.900 -0.130 0.000 1.146 243 Y CA 1.447 59.456 58.100 -0.152 0.000 1.182 243 Y CB -0.269 38.093 38.460 -0.163 0.000 0.983 243 Y HN 0.119 nan 8.280 nan 0.000 0.524 244 A N 0.326 123.097 122.820 -0.080 0.000 1.873 244 A HA -0.166 4.154 4.320 -0.000 0.000 0.215 244 A C 2.210 179.680 177.584 -0.191 0.000 1.186 244 A CA 1.791 53.737 52.037 -0.151 0.000 0.616 244 A CB -0.554 18.358 19.000 -0.146 0.000 0.823 244 A HN 0.467 nan 8.150 nan 0.000 0.442 245 K N -0.576 119.728 120.400 -0.159 0.000 2.113 245 K HA -0.232 4.088 4.320 -0.000 0.000 0.208 245 K C 1.760 178.269 176.600 -0.151 0.000 1.047 245 K CA 1.732 57.936 56.287 -0.137 0.000 0.928 245 K CB -0.244 32.187 32.500 -0.114 0.000 0.716 245 K HN 0.570 nan 8.250 nan 0.000 0.446 246 D N -0.067 120.218 120.400 -0.191 0.000 2.178 246 D HA -0.113 4.527 4.640 -0.000 0.000 0.202 246 D C 1.772 177.922 176.300 -0.250 0.000 0.974 246 D CA 1.622 55.503 54.000 -0.199 0.000 0.841 246 D CB 0.092 40.767 40.800 -0.207 0.000 0.953 246 D HN 0.274 nan 8.370 nan 0.000 0.478 247 T N -2.637 111.705 114.554 -0.353 0.000 2.995 247 T HA -0.060 4.290 4.350 -0.000 0.000 0.269 247 T C 1.657 176.236 174.700 -0.202 0.000 1.091 247 T CA 0.649 62.555 62.100 -0.324 0.000 1.128 247 T CB 0.012 68.644 68.868 -0.393 0.000 0.891 247 T HN 0.048 nan 8.240 nan 0.000 0.492 248 Q N 0.194 119.894 119.800 -0.167 0.000 2.390 248 Q HA 0.234 4.574 4.340 -0.000 0.000 0.216 248 Q C 0.509 176.449 176.000 -0.100 0.000 0.916 248 Q CA 0.144 55.875 55.803 -0.120 0.000 0.911 248 Q CB 0.141 28.819 28.738 -0.100 0.000 1.035 248 Q HN 0.382 nan 8.270 nan 0.000 0.541 249 R N 0.835 121.276 120.500 -0.098 0.000 3.416 249 R HA -0.101 4.238 4.340 -0.000 0.000 0.263 249 R C -0.735 175.524 176.300 -0.067 0.000 1.053 249 R CA 0.768 56.822 56.100 -0.077 0.000 0.705 249 R CB -2.947 27.313 30.300 -0.068 0.000 1.124 249 R HN 0.251 nan 8.270 nan 0.000 0.444 250 T N -0.759 113.754 114.554 -0.069 0.000 2.894 250 T HA 0.337 4.687 4.350 -0.000 0.000 0.309 250 T C 0.043 174.713 174.700 -0.051 0.000 1.208 250 T CA -0.231 61.832 62.100 -0.061 0.000 1.016 250 T CB 2.350 71.177 68.868 -0.069 0.000 1.192 250 T HN 0.216 nan 8.240 nan 0.000 0.491 251 T N 0.891 115.421 114.554 -0.040 0.000 2.937 251 T HA 0.393 4.743 4.350 -0.000 0.000 0.316 251 T C 0.120 174.821 174.700 0.001 0.000 1.079 251 T CA -0.457 61.627 62.100 -0.025 0.000 1.131 251 T CB -0.044 68.815 68.868 -0.015 0.000 1.000 251 T HN 0.454 nan 8.240 nan 0.000 0.549 252 L N 3.796 125.029 121.223 0.017 0.000 2.599 252 L HA 0.286 4.626 4.340 -0.000 0.000 0.241 252 L C -1.512 175.434 176.870 0.126 0.000 1.207 252 L CA -1.923 52.976 54.840 0.099 0.000 0.987 252 L CB 1.229 43.276 42.059 -0.019 0.000 1.318 252 L HN 0.565 nan 8.230 nan 0.000 0.458 253 P HA -0.121 nan 4.420 nan 0.000 0.236 253 P C 0.957 178.366 177.300 0.182 0.000 1.177 253 P CA 0.987 64.168 63.100 0.134 0.000 0.773 253 P CB -0.033 31.722 31.700 0.093 0.000 0.878 254 H N -0.994 118.086 119.070 0.016 0.000 2.539 254 H HA 0.230 4.786 4.556 -0.000 0.000 0.267 254 H C 0.461 175.810 175.328 0.036 0.000 0.982 254 H CA -0.440 55.624 56.048 0.027 0.000 1.146 254 H CB -0.864 28.904 29.762 0.009 0.000 1.382 254 H HN 0.137 nan 8.280 nan 0.000 0.577 255 I N 3.486 123.883 120.570 -0.287 0.000 2.276 255 I HA 0.182 4.352 4.170 -0.000 0.000 0.290 255 I C 0.963 177.157 176.117 0.129 0.000 1.109 255 I CA -0.248 60.953 61.300 -0.166 0.000 1.229 255 I CB 0.520 38.344 38.000 -0.295 0.000 1.452 255 I HN 0.210 nan 8.210 nan 0.000 0.497 256 R N 2.476 123.071 120.500 0.159 0.000 2.476 256 R HA 0.402 4.741 4.340 -0.000 0.000 0.276 256 R C 0.259 176.533 176.300 -0.044 0.000 0.941 256 R CA -0.242 55.994 56.100 0.227 0.000 1.088 256 R CB 0.782 31.177 30.300 0.159 0.000 1.216 256 R HN 0.383 nan 8.270 nan 0.000 0.533 257 S N 0.304 115.827 115.700 -0.297 0.000 2.547 257 S HA 0.602 5.072 4.470 -0.000 0.000 0.270 257 S C -1.800 172.411 174.600 -0.647 0.000 1.150 257 S CA -0.748 57.016 58.200 -0.727 0.000 0.850 257 S CB 1.836 64.962 63.200 -0.122 0.000 1.118 257 S HN 0.290 nan 8.310 nan 0.000 0.461 258 I N 2.183 122.218 120.570 -0.892 0.000 2.656 258 I HA 0.561 4.731 4.170 -0.000 0.000 0.292 258 I C -1.110 174.868 176.117 -0.232 0.000 1.144 258 I CA -0.094 60.947 61.300 -0.432 0.000 1.038 258 I CB 2.316 39.982 38.000 -0.558 0.000 1.244 258 I HN 0.640 nan 8.210 nan 0.000 0.420 259 T N 7.442 121.930 114.554 -0.111 0.000 2.912 259 T HA 0.464 4.814 4.350 -0.000 0.000 0.288 259 T C -0.699 173.979 174.700 -0.037 0.000 1.030 259 T CA -0.519 61.564 62.100 -0.029 0.000 1.020 259 T CB 1.638 70.515 68.868 0.015 0.000 1.056 259 T HN 0.589 nan 8.240 nan 0.000 0.480 260 M N 2.762 122.358 119.600 -0.007 0.000 2.101 260 M HA 0.420 4.900 4.480 -0.000 0.000 0.340 260 M C -0.521 175.790 176.300 0.018 0.000 1.057 260 M CA -0.495 54.807 55.300 0.003 0.000 0.984 260 M CB 0.720 33.326 32.600 0.010 0.000 1.560 260 M HN 0.541 nan 8.290 nan 0.000 0.435 261 E N 3.805 124.023 120.200 0.031 0.000 2.373 261 E HA 0.254 4.604 4.350 -0.000 0.000 0.267 261 E C -0.779 175.838 176.600 0.029 0.000 1.032 261 E CA 0.062 56.482 56.400 0.034 0.000 0.889 261 E CB 1.104 30.836 29.700 0.053 0.000 0.984 261 E HN 0.581 nan 8.360 nan 0.000 0.425 262 R N 1.443 121.952 120.500 0.014 0.000 2.803 262 R HA 0.120 4.460 4.340 -0.000 0.000 0.276 262 R C 0.779 177.077 176.300 -0.003 0.000 0.978 262 R CA -0.526 55.579 56.100 0.009 0.000 0.939 262 R CB 1.244 31.544 30.300 -0.000 0.000 1.179 262 R HN 0.632 nan 8.270 nan 0.000 0.472 263 E N 1.141 121.340 120.200 -0.003 0.000 2.038 263 E HA -0.270 4.080 4.350 -0.000 0.000 0.195 263 E C 1.457 178.037 176.600 -0.033 0.000 1.000 263 E CA 1.606 57.997 56.400 -0.014 0.000 0.803 263 E CB 0.238 29.934 29.700 -0.006 0.000 0.750 263 E HN 0.527 nan 8.360 nan 0.000 0.448 264 Q N 0.371 120.148 119.800 -0.038 0.000 2.364 264 Q HA -0.172 4.168 4.340 -0.000 0.000 0.207 264 Q C 0.792 176.749 176.000 -0.071 0.000 0.970 264 Q CA 1.253 57.020 55.803 -0.061 0.000 0.888 264 Q CB 0.012 28.712 28.738 -0.062 0.000 0.951 264 Q HN 0.220 nan 8.270 nan 0.000 0.469 265 D N 1.340 121.708 120.400 -0.053 0.000 2.269 265 D HA -0.008 4.632 4.640 -0.000 0.000 0.208 265 D C 0.409 176.672 176.300 -0.062 0.000 0.963 265 D CA 0.971 54.938 54.000 -0.054 0.000 0.864 265 D CB 0.307 41.086 40.800 -0.036 0.000 0.936 265 D HN 0.418 nan 8.370 nan 0.000 0.505 266 S N -0.963 114.700 115.700 -0.063 0.000 2.661 266 S HA 0.559 5.029 4.470 -0.000 0.000 0.285 266 S C -0.272 174.272 174.600 -0.093 0.000 1.138 266 S CA -0.964 57.197 58.200 -0.066 0.000 0.855 266 S CB 1.745 64.924 63.200 -0.035 0.000 1.136 266 S HN -0.054 nan 8.310 nan 0.000 0.484 267 I N 1.475 121.983 120.570 -0.102 0.000 2.337 267 I HA 0.251 4.421 4.170 -0.000 0.000 0.291 267 I C -0.644 175.408 176.117 -0.109 0.000 1.046 267 I CA -0.502 60.718 61.300 -0.132 0.000 1.324 267 I CB 0.316 38.224 38.000 -0.153 0.000 1.409 267 I HN 0.486 nan 8.210 nan 0.000 0.494 268 I N 7.618 128.110 120.570 -0.130 0.000 2.496 268 I HA 0.141 4.311 4.170 -0.000 0.000 0.285 268 I C 0.188 176.181 176.117 -0.207 0.000 1.080 268 I CA 0.688 61.904 61.300 -0.141 0.000 1.404 268 I CB 0.359 38.277 38.000 -0.137 0.000 1.403 268 I HN 0.459 nan 8.210 nan 0.000 0.539 269 M N 6.393 125.894 119.600 -0.165 0.000 2.060 269 M HA 0.228 4.708 4.480 -0.000 0.000 0.275 269 M C -0.753 175.465 176.300 -0.138 0.000 0.919 269 M CA -0.811 54.383 55.300 -0.177 0.000 0.970 269 M CB 1.262 33.808 32.600 -0.089 0.000 1.670 269 M HN 0.604 nan 8.290 nan 0.000 0.440 270 D N 2.082 122.379 120.400 -0.171 0.000 2.341 270 D HA 0.009 4.649 4.640 -0.000 0.000 0.235 270 D C 0.900 177.165 176.300 -0.059 0.000 1.265 270 D CA 0.083 54.026 54.000 -0.095 0.000 0.888 270 D CB 1.033 41.802 40.800 -0.052 0.000 1.192 270 D HN 0.633 nan 8.370 nan 0.000 0.462 271 A N 1.107 123.900 122.820 -0.045 0.000 1.908 271 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 271 A C 2.336 179.912 177.584 -0.013 0.000 1.181 271 A CA 2.619 54.635 52.037 -0.034 0.000 0.627 271 A CB -1.100 17.877 19.000 -0.039 0.000 0.818 271 A HN 0.744 nan 8.150 nan 0.000 0.445 272 A N -1.252 121.566 122.820 -0.004 0.000 1.902 272 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 272 A C 2.319 179.911 177.584 0.013 0.000 1.181 272 A CA 2.364 54.407 52.037 0.010 0.000 0.623 272 A CB -1.213 17.801 19.000 0.023 0.000 0.818 272 A HN 0.434 nan 8.150 nan 0.000 0.443 273 T N -1.055 113.501 114.554 0.003 0.000 2.737 273 T HA -0.115 4.235 4.350 -0.000 0.000 0.265 273 T C 2.081 176.784 174.700 0.006 0.000 1.038 273 T CA 1.405 63.503 62.100 -0.003 0.000 1.144 273 T CB -0.218 68.621 68.868 -0.049 0.000 0.866 273 T HN 0.525 nan 8.240 nan 0.000 0.434 274 R N 0.712 121.219 120.500 0.011 0.000 2.119 274 R HA -0.111 4.229 4.340 -0.000 0.000 0.246 274 R C 2.626 178.967 176.300 0.069 0.000 1.146 274 R CA 1.561 57.694 56.100 0.056 0.000 0.962 274 R CB -0.115 30.217 30.300 0.054 0.000 0.863 274 R HN 0.228 nan 8.270 nan 0.000 0.442 275 R N -0.146 120.380 120.500 0.042 0.000 2.093 275 R HA -0.060 4.280 4.340 -0.000 0.000 0.224 275 R C 1.471 177.794 176.300 0.039 0.000 1.101 275 R CA 1.462 57.587 56.100 0.042 0.000 0.979 275 R CB -0.093 30.222 30.300 0.025 0.000 0.877 275 R HN 0.226 nan 8.270 nan 0.000 0.441 276 N N 0.791 119.509 118.700 0.030 0.000 2.244 276 N HA -0.098 4.642 4.740 -0.000 0.000 0.183 276 N C 1.551 177.077 175.510 0.027 0.000 1.016 276 N CA 0.920 53.986 53.050 0.027 0.000 0.866 276 N CB -0.024 38.475 38.487 0.020 0.000 0.980 276 N HN 0.274 nan 8.380 nan 0.000 0.430 277 L N 0.602 121.838 121.223 0.023 0.000 2.558 277 L HA 0.105 4.445 4.340 -0.000 0.000 0.225 277 L C -0.286 176.605 176.870 0.035 0.000 1.128 277 L CA 0.151 54.998 54.840 0.012 0.000 0.868 277 L CB -0.277 41.779 42.059 -0.006 0.000 1.006 277 L HN 0.138 nan 8.230 nan 0.000 0.454 278 E N 0.277 120.508 120.200 0.051 0.000 2.291 278 E HA -0.250 4.100 4.350 -0.000 0.000 0.181 278 E C 0.816 177.446 176.600 0.051 0.000 1.480 278 E CA 0.060 56.497 56.400 0.061 0.000 0.674 278 E CB -1.287 28.454 29.700 0.069 0.000 1.108 278 E HN 0.524 nan 8.360 nan 0.000 0.357 279 I N -0.209 120.386 120.570 0.042 0.000 2.270 279 I HA -0.157 4.013 4.170 -0.000 0.000 0.239 279 I C 2.416 178.515 176.117 -0.031 0.000 1.080 279 I CA 1.895 63.170 61.300 -0.042 0.000 1.383 279 I CB -0.234 37.650 38.000 -0.193 0.000 1.097 279 I HN 0.368 nan 8.210 nan 0.000 0.420 280 T N -2.617 111.969 114.554 0.053 0.000 3.000 280 T HA 0.073 4.423 4.350 -0.000 0.000 0.248 280 T C 0.675 175.427 174.700 0.087 0.000 1.034 280 T CA -0.207 61.948 62.100 0.092 0.000 1.060 280 T CB 0.175 69.168 68.868 0.208 0.000 0.983 280 T HN 0.233 nan 8.240 nan 0.000 0.482 281 Q N 2.040 121.898 119.800 0.097 0.000 2.337 281 Q HA 0.470 4.810 4.340 -0.000 0.000 0.270 281 Q C -1.112 174.923 176.000 0.060 0.000 1.043 281 Q CA -0.937 54.908 55.803 0.070 0.000 0.794 281 Q CB 1.456 30.235 28.738 0.068 0.000 1.281 281 Q HN 0.430 nan 8.270 nan 0.000 0.446 282 N N 2.428 121.156 118.700 0.047 0.000 2.327 282 N HA 0.128 4.868 4.740 -0.000 0.000 0.257 282 N C 0.619 176.152 175.510 0.038 0.000 1.281 282 N CA -0.491 52.585 53.050 0.043 0.000 0.942 282 N CB 0.546 39.056 38.487 0.037 0.000 1.199 282 N HN 0.672 nan 8.380 nan 0.000 0.532 283 L N -1.716 119.528 121.223 0.036 0.000 2.201 283 L HA -0.037 4.303 4.340 -0.000 0.000 0.212 283 L C 1.863 178.748 176.870 0.025 0.000 1.105 283 L CA 1.151 56.008 54.840 0.030 0.000 0.775 283 L CB -0.576 41.500 42.059 0.029 0.000 0.913 283 L HN 0.792 nan 8.230 nan 0.000 0.440 284 A N 0.024 122.859 122.820 0.024 0.000 2.327 284 A HA 0.360 4.680 4.320 -0.000 0.000 0.228 284 A C 1.542 179.138 177.584 0.020 0.000 1.275 284 A CA 0.484 52.533 52.037 0.021 0.000 0.875 284 A CB -0.754 18.258 19.000 0.019 0.000 0.925 284 A HN 0.472 nan 8.150 nan 0.000 0.493 285 G N -1.298 107.516 108.800 0.023 0.000 2.295 285 G HA2 0.034 3.994 3.960 -0.000 0.000 0.287 285 G HA3 0.034 3.994 3.960 -0.000 0.000 0.287 285 G C 0.542 175.456 174.900 0.023 0.000 1.055 285 G CA 0.544 45.657 45.100 0.023 0.000 0.922 285 G HN 1.369 nan 8.290 nan 0.000 0.503 286 G N -2.305 106.510 108.800 0.025 0.000 3.108 286 G HA2 0.860 4.820 3.960 -0.000 0.000 0.268 286 G HA3 0.860 4.820 3.960 -0.000 0.000 0.268 286 G C 0.636 175.553 174.900 0.028 0.000 1.361 286 G CA 0.427 45.541 45.100 0.023 0.000 1.047 286 G HN 1.312 nan 8.290 nan 0.000 0.540 287 A N -1.345 121.490 122.820 0.024 0.000 2.358 287 A HA 0.434 4.754 4.320 -0.000 0.000 0.223 287 A C 0.806 178.404 177.584 0.022 0.000 1.218 287 A CA 0.183 52.235 52.037 0.025 0.000 0.942 287 A CB 0.096 19.109 19.000 0.021 0.000 1.005 287 A HN 0.537 nan 8.150 nan 0.000 0.514 288 E N 0.663 120.874 120.200 0.019 0.000 2.322 288 E HA 0.199 4.548 4.350 -0.000 0.000 0.257 288 E C -0.443 176.168 176.600 0.018 0.000 1.155 288 E CA -0.858 55.551 56.400 0.015 0.000 0.936 288 E CB 0.201 29.908 29.700 0.012 0.000 1.130 288 E HN 0.333 nan 8.360 nan 0.000 0.465 289 N N 0.745 119.452 118.700 0.012 0.000 2.699 289 N HA -0.188 4.552 4.740 -0.000 0.000 0.256 289 N C -0.776 174.749 175.510 0.025 0.000 0.993 289 N CA 1.114 54.170 53.050 0.009 0.000 0.759 289 N CB -1.059 37.434 38.487 0.009 0.000 0.906 289 N HN 0.406 nan 8.380 nan 0.000 0.541 290 T N -0.950 113.621 114.554 0.028 0.000 2.865 290 T HA 0.461 4.811 4.350 -0.000 0.000 0.294 290 T C 1.099 175.826 174.700 0.044 0.000 1.119 290 T CA -0.704 61.421 62.100 0.043 0.000 1.007 290 T CB 1.675 70.566 68.868 0.039 0.000 1.225 290 T HN 0.054 nan 8.240 nan 0.000 0.515 291 L N 3.006 124.259 121.223 0.049 0.000 2.083 291 L HA 0.211 4.551 4.340 -0.000 0.000 0.209 291 L C 2.479 179.370 176.870 0.035 0.000 1.083 291 L CA 2.607 57.477 54.840 0.049 0.000 0.752 291 L CB -0.801 41.277 42.059 0.032 0.000 0.899 291 L HN 0.800 nan 8.230 nan 0.000 0.433 292 A N -1.074 121.757 122.820 0.018 0.000 1.969 292 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 292 A C 2.457 180.051 177.584 0.017 0.000 1.169 292 A CA 1.508 53.554 52.037 0.014 0.000 0.635 292 A CB -0.948 18.057 19.000 0.008 0.000 0.810 292 A HN 0.641 nan 8.150 nan 0.000 0.445 293 S N -0.542 115.170 115.700 0.018 0.000 2.423 293 S HA -0.080 4.390 4.470 -0.000 0.000 0.231 293 S C 1.606 176.212 174.600 0.011 0.000 1.014 293 S CA 1.457 59.665 58.200 0.013 0.000 0.965 293 S CB -0.514 62.693 63.200 0.011 0.000 0.785 293 S HN 0.248 nan 8.310 nan 0.000 0.495 294 V N 1.294 121.221 119.914 0.021 0.000 2.492 294 V HA 0.172 4.292 4.120 -0.000 0.000 0.241 294 V C 2.488 178.603 176.094 0.036 0.000 1.041 294 V CA 0.844 63.160 62.300 0.026 0.000 1.057 294 V CB -0.634 31.214 31.823 0.042 0.000 0.711 294 V HN 0.401 nan 8.190 nan 0.000 0.468 295 L N 0.065 121.321 121.223 0.055 0.000 2.156 295 L HA 0.008 4.348 4.340 -0.000 0.000 0.208 295 L C 1.045 177.932 176.870 0.029 0.000 1.095 295 L CA 1.061 55.940 54.840 0.066 0.000 0.770 295 L CB -0.268 41.846 42.059 0.091 0.000 0.914 295 L HN 0.370 nan 8.230 nan 0.000 0.439 296 D N -0.279 120.129 120.400 0.013 0.000 2.517 296 D HA 0.061 4.701 4.640 -0.000 0.000 0.220 296 D C -0.155 176.138 176.300 -0.013 0.000 1.158 296 D CA -0.088 53.908 54.000 -0.007 0.000 0.992 296 D CB 0.168 40.961 40.800 -0.011 0.000 1.058 296 D HN 0.042 nan 8.370 nan 0.000 0.516 297 C N 3.480 122.770 119.300 -0.018 0.000 2.352 297 C HA 0.223 4.683 4.460 -0.000 0.000 0.321 297 C C 0.870 175.843 174.990 -0.028 0.000 1.407 297 C CA -0.484 58.522 59.018 -0.021 0.000 1.783 297 C CB -1.767 25.960 27.740 -0.022 0.000 2.698 297 C HN 0.585 nan 8.230 nan 0.000 0.555 298 T N -1.334 113.199 114.554 -0.036 0.000 2.813 298 T HA 0.320 4.670 4.350 -0.000 0.000 0.297 298 T C 1.123 175.802 174.700 -0.036 0.000 1.036 298 T CA 0.105 62.177 62.100 -0.047 0.000 1.044 298 T CB 1.196 70.023 68.868 -0.068 0.000 0.993 298 T HN 0.391 nan 8.240 nan 0.000 0.535 299 V N -2.601 117.291 119.914 -0.037 0.000 3.635 299 V HA 0.303 4.423 4.120 -0.000 0.000 0.266 299 V C 0.921 176.999 176.094 -0.027 0.000 1.316 299 V CA 0.403 62.687 62.300 -0.027 0.000 1.060 299 V CB -0.608 31.202 31.823 -0.022 0.000 0.820 299 V HN 1.148 nan 8.190 nan 0.000 0.447 300 T N -2.233 112.300 114.554 -0.035 0.000 2.859 300 T HA 0.592 4.942 4.350 -0.000 0.000 0.281 300 T C -1.812 172.865 174.700 -0.039 0.000 1.005 300 T CA -1.751 60.328 62.100 -0.035 0.000 1.025 300 T CB 1.691 70.535 68.868 -0.039 0.000 0.977 300 T HN 0.071 nan 8.240 nan 0.000 0.458 301 P HA -0.106 nan 4.420 nan 0.000 0.219 301 P C 1.755 179.033 177.300 -0.038 0.000 1.146 301 P CA 1.172 64.253 63.100 -0.031 0.000 0.808 301 P CB -0.226 31.460 31.700 -0.023 0.000 0.779 302 M N -2.757 116.818 119.600 -0.040 0.000 2.229 302 M HA 0.101 4.580 4.480 -0.000 0.000 0.264 302 M C 2.102 178.358 176.300 -0.073 0.000 1.063 302 M CA 2.296 57.569 55.300 -0.044 0.000 1.114 302 M CB -1.646 30.933 32.600 -0.034 0.000 1.387 302 M HN -0.189 nan 8.290 nan 0.000 0.420 303 G N 0.021 108.768 108.800 -0.088 0.000 2.464 303 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.217 303 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.217 303 G C 1.584 176.392 174.900 -0.154 0.000 1.138 303 G CA 0.796 45.812 45.100 -0.140 0.000 0.793 303 G HN 0.524 nan 8.290 nan 0.000 0.539 304 S N 0.216 115.857 115.700 -0.099 0.000 2.368 304 S HA -0.080 4.390 4.470 -0.000 0.000 0.225 304 S C 2.470 177.025 174.600 -0.075 0.000 1.030 304 S CA 1.198 59.351 58.200 -0.079 0.000 0.999 304 S CB -0.206 62.967 63.200 -0.046 0.000 0.844 304 S HN 0.426 nan 8.310 nan 0.000 0.459 305 R N 0.066 120.529 120.500 -0.062 0.000 2.115 305 R HA 0.044 4.384 4.340 -0.000 0.000 0.230 305 R C 2.532 178.796 176.300 -0.060 0.000 1.111 305 R CA 1.525 57.604 56.100 -0.035 0.000 0.976 305 R CB -0.318 29.971 30.300 -0.017 0.000 0.870 305 R HN 0.502 nan 8.270 nan 0.000 0.445 306 M N 0.540 120.054 119.600 -0.143 0.000 2.200 306 M HA -0.117 4.362 4.480 -0.000 0.000 0.265 306 M C 1.996 178.028 176.300 -0.447 0.000 1.066 306 M CA 1.279 56.422 55.300 -0.263 0.000 1.127 306 M CB 0.059 32.442 32.600 -0.362 0.000 1.379 306 M HN 0.157 nan 8.290 nan 0.000 0.420 307 L N 0.843 121.837 121.223 -0.382 0.000 2.046 307 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 307 L C 2.026 178.875 176.870 -0.035 0.000 1.077 307 L CA 1.926 56.605 54.840 -0.267 0.000 0.747 307 L CB -0.500 41.456 42.059 -0.171 0.000 0.896 307 L HN 0.202 nan 8.230 nan 0.000 0.432 308 K N -0.970 119.422 120.400 -0.013 0.000 2.148 308 K HA -0.123 4.196 4.320 -0.000 0.000 0.204 308 K C 2.216 178.910 176.600 0.156 0.000 1.050 308 K CA 1.113 57.435 56.287 0.059 0.000 0.942 308 K CB -0.131 32.418 32.500 0.082 0.000 0.724 308 K HN 0.338 nan 8.250 nan 0.000 0.446 309 R N -0.185 120.410 120.500 0.158 0.000 2.066 309 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 309 R C 2.044 178.556 176.300 0.354 0.000 1.131 309 R CA 1.331 57.580 56.100 0.248 0.000 0.955 309 R CB -0.164 30.271 30.300 0.224 0.000 0.851 309 R HN 0.261 nan 8.270 nan 0.000 0.432 310 W N 1.255 122.591 121.300 0.061 0.000 2.338 310 W HA -0.126 4.534 4.660 -0.000 0.000 0.304 310 W C 1.984 178.523 176.519 0.033 0.000 1.212 310 W CA 0.854 58.229 57.345 0.050 0.000 1.264 310 W CB -0.881 28.606 29.460 0.045 0.000 1.142 310 W HN 0.074 nan 8.180 nan 0.000 0.512 311 L N -1.263 120.090 121.223 0.217 0.000 2.056 311 L HA -0.214 4.126 4.340 -0.000 0.000 0.207 311 L C 2.387 179.244 176.870 -0.021 0.000 1.078 311 L CA 1.208 56.073 54.840 0.042 0.000 0.749 311 L CB -1.049 40.957 42.059 -0.089 0.000 0.901 311 L HN 0.040 nan 8.230 nan 0.000 0.433 312 H N -1.268 117.867 119.070 0.108 0.000 2.555 312 H HA 0.158 4.714 4.556 -0.000 0.000 0.269 312 H C 0.676 176.038 175.328 0.057 0.000 0.988 312 H CA 0.649 56.738 56.048 0.069 0.000 1.178 312 H CB 0.455 30.255 29.762 0.063 0.000 1.373 312 H HN 0.248 nan 8.280 nan 0.000 0.588 313 M N 1.489 121.192 119.600 0.171 0.000 2.353 313 M HA 0.255 4.735 4.480 -0.000 0.000 0.218 313 M C -2.792 173.540 176.300 0.054 0.000 1.044 313 M CA -1.657 53.704 55.300 0.101 0.000 0.615 313 M CB 1.649 34.315 32.600 0.110 0.000 1.531 313 M HN -0.226 nan 8.290 nan 0.000 0.378 314 P HA 0.050 nan 4.420 nan 0.000 0.267 314 P C -0.555 176.748 177.300 0.005 0.000 1.209 314 P CA -0.057 63.068 63.100 0.041 0.000 0.763 314 P CB 0.819 32.559 31.700 0.066 0.000 0.816 315 V N 5.157 125.066 119.914 -0.008 0.000 2.644 315 V HA 0.250 4.370 4.120 -0.000 0.000 0.295 315 V C 1.155 177.267 176.094 0.030 0.000 1.053 315 V CA -0.256 62.021 62.300 -0.037 0.000 0.987 315 V CB 1.077 32.835 31.823 -0.108 0.000 1.006 315 V HN 0.461 nan 8.190 nan 0.000 0.472 316 R N 2.209 122.691 120.500 -0.031 0.000 2.237 316 R HA 0.160 4.500 4.340 -0.000 0.000 0.195 316 R C -0.002 176.269 176.300 -0.048 0.000 0.956 316 R CA -0.051 56.027 56.100 -0.037 0.000 1.029 316 R CB 0.018 30.238 30.300 -0.134 0.000 0.972 316 R HN 0.806 nan 8.270 nan 0.000 0.493 317 D N 2.122 122.471 120.400 -0.085 0.000 2.342 317 D HA -0.032 4.608 4.640 -0.000 0.000 0.260 317 D C 1.122 177.317 176.300 -0.176 0.000 1.278 317 D CA 0.218 54.149 54.000 -0.116 0.000 0.910 317 D CB 1.235 41.978 40.800 -0.096 0.000 1.079 317 D HN 0.152 nan 8.370 nan 0.000 0.496 318 T N 1.544 115.947 114.554 -0.253 0.000 2.962 318 T HA -0.118 4.232 4.350 -0.000 0.000 0.270 318 T C 1.827 176.389 174.700 -0.231 0.000 1.088 318 T CA 0.606 62.447 62.100 -0.432 0.000 1.127 318 T CB -0.001 68.500 68.868 -0.612 0.000 0.883 318 T HN 0.323 nan 8.240 nan 0.000 0.493 319 R N 0.684 121.101 120.500 -0.138 0.000 2.094 319 R HA -0.051 4.289 4.340 -0.000 0.000 0.239 319 R C 2.545 178.802 176.300 -0.072 0.000 1.137 319 R CA 1.669 57.721 56.100 -0.079 0.000 0.943 319 R CB -0.978 29.286 30.300 -0.061 0.000 0.850 319 R HN 0.301 nan 8.270 nan 0.000 0.433 320 V N 1.345 121.203 119.914 -0.094 0.000 2.490 320 V HA -0.203 3.917 4.120 -0.000 0.000 0.250 320 V C 2.237 178.272 176.094 -0.097 0.000 1.061 320 V CA 1.570 63.812 62.300 -0.097 0.000 1.064 320 V CB -0.436 31.309 31.823 -0.130 0.000 0.670 320 V HN 0.273 nan 8.190 nan 0.000 0.461 321 L N -0.891 120.264 121.223 -0.113 0.000 2.027 321 L HA -0.130 4.210 4.340 -0.000 0.000 0.206 321 L C 2.380 179.278 176.870 0.046 0.000 1.074 321 L CA 1.402 56.204 54.840 -0.062 0.000 0.745 321 L CB -0.518 41.448 42.059 -0.155 0.000 0.898 321 L HN 0.260 nan 8.230 nan 0.000 0.433 322 L N -0.444 120.806 121.223 0.045 0.000 2.191 322 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 322 L C 2.530 179.443 176.870 0.071 0.000 1.103 322 L CA 1.179 56.078 54.840 0.097 0.000 0.769 322 L CB -0.388 41.715 42.059 0.073 0.000 0.908 322 L HN 0.323 nan 8.230 nan 0.000 0.438 323 E N -0.253 119.968 120.200 0.036 0.000 2.072 323 E HA -0.173 4.176 4.350 -0.000 0.000 0.190 323 E C 2.338 178.976 176.600 0.062 0.000 0.982 323 E CA 0.760 57.183 56.400 0.038 0.000 0.803 323 E CB 0.046 29.754 29.700 0.013 0.000 0.755 323 E HN 0.419 nan 8.360 nan 0.000 0.453 324 R N 0.676 121.210 120.500 0.057 0.000 2.096 324 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 324 R C 2.414 178.806 176.300 0.153 0.000 1.127 324 R CA 1.204 57.362 56.100 0.098 0.000 0.968 324 R CB -0.101 30.234 30.300 0.059 0.000 0.861 324 R HN 0.219 nan 8.270 nan 0.000 0.440 325 Q N 0.469 120.375 119.800 0.176 0.000 1.993 325 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 325 Q C 2.198 178.352 176.000 0.256 0.000 0.984 325 Q CA 1.594 57.565 55.803 0.280 0.000 0.837 325 Q CB -0.040 28.821 28.738 0.204 0.000 0.902 325 Q HN 0.397 nan 8.270 nan 0.000 0.423 326 Q N -0.388 119.508 119.800 0.161 0.000 2.112 326 Q HA -0.168 4.171 4.340 -0.000 0.000 0.206 326 Q C 2.112 178.175 176.000 0.104 0.000 0.987 326 Q CA 1.858 57.735 55.803 0.125 0.000 0.858 326 Q CB -0.108 28.680 28.738 0.083 0.000 0.905 326 Q HN 0.338 nan 8.270 nan 0.000 0.420 327 T N 0.782 115.391 114.554 0.091 0.000 2.746 327 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 327 T C 1.763 176.494 174.700 0.052 0.000 1.039 327 T CA 0.924 63.062 62.100 0.065 0.000 1.142 327 T CB -0.118 68.794 68.868 0.075 0.000 0.866 327 T HN 0.208 nan 8.240 nan 0.000 0.444 328 I N 0.907 121.509 120.570 0.055 0.000 2.439 328 I HA -0.041 4.129 4.170 -0.000 0.000 0.251 328 I C 2.696 178.750 176.117 -0.105 0.000 1.139 328 I CA 0.928 62.199 61.300 -0.049 0.000 1.438 328 I CB -0.332 37.598 38.000 -0.116 0.000 1.085 328 I HN 0.298 nan 8.210 nan 0.000 0.427 329 G N 0.134 108.948 108.800 0.023 0.000 2.408 329 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.215 329 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.215 329 G C 1.803 176.741 174.900 0.064 0.000 1.156 329 G CA 0.658 45.804 45.100 0.077 0.000 0.793 329 G HN 0.452 nan 8.290 nan 0.000 0.535 330 A N 0.221 123.086 122.820 0.074 0.000 2.014 330 A HA 0.300 4.620 4.320 -0.000 0.000 0.218 330 A C 2.177 179.854 177.584 0.156 0.000 1.163 330 A CA 0.606 52.701 52.037 0.096 0.000 0.652 330 A CB -0.196 18.836 19.000 0.053 0.000 0.808 330 A HN 0.325 nan 8.150 nan 0.000 0.449 331 L N -0.381 120.902 121.223 0.100 0.000 2.591 331 L HA -0.032 4.308 4.340 -0.000 0.000 0.228 331 L C 2.475 179.424 176.870 0.132 0.000 1.133 331 L CA 0.457 55.387 54.840 0.151 0.000 0.880 331 L CB -0.174 41.912 42.059 0.044 0.000 1.033 331 L HN 0.580 nan 8.230 nan 0.000 0.450 332 Q N 0.834 120.636 119.800 0.004 0.000 2.045 332 Q HA -0.273 4.067 4.340 -0.000 0.000 0.206 332 Q C 1.019 176.855 176.000 -0.274 0.000 0.991 332 Q CA 2.196 57.886 55.803 -0.188 0.000 0.851 332 Q CB 0.029 28.597 28.738 -0.284 0.000 0.911 332 Q HN 0.475 nan 8.270 nan 0.000 0.418 333 D N -0.705 119.529 120.400 -0.277 0.000 2.371 333 D HA -0.069 4.571 4.640 -0.000 0.000 0.221 333 D C 0.671 176.615 176.300 -0.594 0.000 0.986 333 D CA 0.629 54.335 54.000 -0.490 0.000 0.899 333 D CB -0.020 40.417 40.800 -0.605 0.000 0.902 333 D HN 0.302 nan 8.370 nan 0.000 0.530 334 F N -0.297 119.587 119.950 -0.109 0.000 2.653 334 F HA 0.139 4.666 4.527 -0.000 0.000 0.304 334 F C 2.227 177.986 175.800 -0.069 0.000 1.092 334 F CA -0.085 57.871 58.000 -0.074 0.000 1.279 334 F CB 0.320 39.287 39.000 -0.056 0.000 1.044 334 F HN -0.219 nan 8.300 nan 0.000 0.564 335 T N -0.035 114.538 114.554 0.030 0.000 2.770 335 T HA -0.080 4.270 4.350 -0.000 0.000 0.263 335 T C 2.345 177.045 174.700 0.001 0.000 1.039 335 T CA 1.501 63.606 62.100 0.009 0.000 1.142 335 T CB -0.120 68.726 68.868 -0.036 0.000 0.868 335 T HN 0.293 nan 8.240 nan 0.000 0.435 336 A N 0.604 123.412 122.820 -0.021 0.000 1.930 336 A HA 0.166 4.486 4.320 -0.000 0.000 0.217 336 A C 2.509 180.092 177.584 -0.001 0.000 1.175 336 A CA 1.898 53.926 52.037 -0.015 0.000 0.627 336 A CB -1.220 17.764 19.000 -0.027 0.000 0.815 336 A HN 0.552 nan 8.150 nan 0.000 0.443 337 G N -0.465 108.341 108.800 0.011 0.000 2.402 337 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.216 337 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.216 337 G C 1.365 176.285 174.900 0.033 0.000 1.162 337 G CA 1.072 46.190 45.100 0.029 0.000 0.777 337 G HN 0.331 nan 8.290 nan 0.000 0.539 338 L N 0.396 121.645 121.223 0.043 0.000 2.044 338 L HA 0.047 4.387 4.340 -0.000 0.000 0.205 338 L C 3.005 179.880 176.870 0.009 0.000 1.075 338 L CA 1.390 56.248 54.840 0.029 0.000 0.747 338 L CB -1.152 40.928 42.059 0.035 0.000 0.903 338 L HN 0.278 nan 8.230 nan 0.000 0.435 339 Q N -0.725 119.078 119.800 0.005 0.000 2.084 339 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 339 Q C -0.316 175.681 176.000 -0.004 0.000 0.978 339 Q CA 1.743 57.544 55.803 -0.004 0.000 0.844 339 Q CB -1.005 27.729 28.738 -0.007 0.000 0.898 339 Q HN 0.425 nan 8.270 nan 0.000 0.426 340 P HA -0.132 nan 4.420 nan 0.000 0.217 340 P C 1.379 178.679 177.300 -0.001 0.000 1.150 340 P CA 1.088 64.190 63.100 0.002 0.000 0.832 340 P CB 0.033 31.736 31.700 0.005 0.000 0.787 341 V N -0.724 119.187 119.914 -0.005 0.000 2.379 341 V HA -0.175 3.945 4.120 -0.000 0.000 0.245 341 V C 2.454 178.530 176.094 -0.030 0.000 1.044 341 V CA 1.389 63.678 62.300 -0.017 0.000 1.036 341 V CB -1.162 30.654 31.823 -0.011 0.000 0.664 341 V HN 0.054 nan 8.190 nan 0.000 0.453 342 L N -0.184 121.026 121.223 -0.021 0.000 2.083 342 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 342 L C 2.752 179.605 176.870 -0.029 0.000 1.083 342 L CA 1.848 56.672 54.840 -0.025 0.000 0.752 342 L CB -0.465 41.582 42.059 -0.020 0.000 0.899 342 L HN 0.294 nan 8.230 nan 0.000 0.433 343 R N -0.344 120.145 120.500 -0.019 0.000 2.096 343 R HA -0.230 4.110 4.340 -0.000 0.000 0.240 343 R C 2.277 178.573 176.300 -0.006 0.000 1.139 343 R CA 1.593 57.686 56.100 -0.011 0.000 0.952 343 R CB -0.106 30.193 30.300 -0.001 0.000 0.854 343 R HN 0.319 nan 8.270 nan 0.000 0.436 344 Q N -0.047 119.746 119.800 -0.012 0.000 2.291 344 Q HA -0.092 4.248 4.340 -0.000 0.000 0.206 344 Q C 2.134 178.083 176.000 -0.085 0.000 0.976 344 Q CA 1.055 56.849 55.803 -0.015 0.000 0.875 344 Q CB -0.115 28.572 28.738 -0.085 0.000 0.927 344 Q HN 0.294 nan 8.270 nan 0.000 0.450 345 V N -0.033 119.828 119.914 -0.088 0.000 2.490 345 V HA -0.126 3.994 4.120 -0.000 0.000 0.250 345 V C 1.384 177.438 176.094 -0.066 0.000 1.061 345 V CA 1.417 63.661 62.300 -0.093 0.000 1.064 345 V CB -1.084 30.700 31.823 -0.066 0.000 0.670 345 V HN 0.595 nan 8.190 nan 0.000 0.461 346 G N 0.236 109.013 108.800 -0.038 0.000 2.645 346 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.239 346 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.239 346 G C -0.128 174.749 174.900 -0.038 0.000 1.331 346 G CA 0.146 45.230 45.100 -0.027 0.000 0.890 346 G HN 0.356 nan 8.290 nan 0.000 0.572 347 D N 0.529 120.908 120.400 -0.036 0.000 2.994 347 D HA 0.276 4.916 4.640 -0.000 0.000 0.240 347 D C 1.967 178.238 176.300 -0.047 0.000 1.195 347 D CA -0.272 53.706 54.000 -0.037 0.000 0.957 347 D CB 0.032 40.815 40.800 -0.029 0.000 1.105 347 D HN 0.455 nan 8.370 nan 0.000 0.477 348 L N 1.234 122.420 121.223 -0.062 0.000 2.129 348 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 348 L C 1.948 178.783 176.870 -0.059 0.000 1.087 348 L CA 1.798 56.588 54.840 -0.085 0.000 0.757 348 L CB -0.272 41.726 42.059 -0.102 0.000 0.896 348 L HN 0.280 nan 8.230 nan 0.000 0.434 349 E N -0.634 119.547 120.200 -0.033 0.000 2.058 349 E HA -0.262 4.088 4.350 -0.000 0.000 0.194 349 E C 2.258 178.852 176.600 -0.010 0.000 0.997 349 E CA 1.406 57.800 56.400 -0.010 0.000 0.801 349 E CB -0.055 29.645 29.700 0.001 0.000 0.746 349 E HN 0.513 nan 8.360 nan 0.000 0.450 350 R N -0.240 120.249 120.500 -0.018 0.000 2.153 350 R HA 0.023 4.363 4.340 -0.000 0.000 0.218 350 R C 2.419 178.700 176.300 -0.032 0.000 1.072 350 R CA 0.597 56.686 56.100 -0.019 0.000 0.990 350 R CB -0.061 30.229 30.300 -0.017 0.000 0.889 350 R HN 0.277 nan 8.270 nan 0.000 0.452 351 I N 0.546 121.092 120.570 -0.040 0.000 2.202 351 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 351 I C 1.849 177.938 176.117 -0.047 0.000 1.091 351 I CA 0.945 62.218 61.300 -0.045 0.000 1.368 351 I CB -0.135 37.824 38.000 -0.069 0.000 1.058 351 I HN 0.073 nan 8.210 nan 0.000 0.410 352 L N 0.665 121.856 121.223 -0.055 0.000 2.127 352 L HA -0.208 4.132 4.340 -0.000 0.000 0.211 352 L C 2.648 179.468 176.870 -0.084 0.000 1.089 352 L CA 2.018 56.828 54.840 -0.051 0.000 0.757 352 L CB -1.500 40.540 42.059 -0.032 0.000 0.899 352 L HN 0.242 nan 8.230 nan 0.000 0.434 353 A N -0.684 122.077 122.820 -0.099 0.000 1.883 353 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 353 A C 2.436 179.883 177.584 -0.229 0.000 1.186 353 A CA 1.595 53.502 52.037 -0.216 0.000 0.624 353 A CB -0.438 18.503 19.000 -0.098 0.000 0.822 353 A HN 0.386 nan 8.150 nan 0.000 0.444 354 R N -1.268 119.167 120.500 -0.107 0.000 2.189 354 R HA -0.006 4.334 4.340 -0.000 0.000 0.223 354 R C 1.970 178.260 176.300 -0.016 0.000 1.092 354 R CA 1.004 57.066 56.100 -0.063 0.000 0.989 354 R CB -0.398 29.899 30.300 -0.005 0.000 0.876 354 R HN 0.500 nan 8.270 nan 0.000 0.457 355 L N 0.505 121.738 121.223 0.016 0.000 2.093 355 L HA -0.042 4.298 4.340 -0.000 0.000 0.208 355 L C 2.225 179.078 176.870 -0.028 0.000 1.085 355 L CA 1.607 56.513 54.840 0.109 0.000 0.755 355 L CB -0.319 41.797 42.059 0.093 0.000 0.904 355 L HN 0.071 nan 8.230 nan 0.000 0.435 356 A N -1.273 121.462 122.820 -0.142 0.000 1.968 356 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 356 A C 1.898 179.359 177.584 -0.206 0.000 1.169 356 A CA 1.294 53.214 52.037 -0.196 0.000 0.638 356 A CB -0.490 18.262 19.000 -0.414 0.000 0.812 356 A HN 0.371 nan 8.150 nan 0.000 0.446 357 L N -1.270 119.812 121.223 -0.234 0.000 2.585 357 L HA 0.234 4.574 4.340 -0.000 0.000 0.226 357 L C 0.775 177.508 176.870 -0.228 0.000 1.113 357 L CA 0.625 55.348 54.840 -0.194 0.000 0.876 357 L CB -0.787 41.170 42.059 -0.170 0.000 1.072 357 L HN 0.449 nan 8.230 nan 0.000 0.468 358 R N -0.695 119.606 120.500 -0.332 0.000 3.531 358 R HA -0.178 4.162 4.340 -0.000 0.000 0.280 358 R C 0.719 176.749 176.300 -0.448 0.000 1.130 358 R CA 0.835 56.546 56.100 -0.648 0.000 0.757 358 R CB -2.761 27.176 30.300 -0.606 0.000 1.218 358 R HN 0.491 nan 8.270 nan 0.000 0.454 359 T N -3.770 110.660 114.554 -0.207 0.000 3.044 359 T HA 0.459 4.809 4.350 -0.000 0.000 0.260 359 T C 0.774 175.535 174.700 0.103 0.000 1.019 359 T CA 0.227 62.297 62.100 -0.051 0.000 0.921 359 T CB 0.668 69.505 68.868 -0.052 0.000 1.053 359 T HN 0.457 nan 8.240 nan 0.000 0.533 360 A N 2.251 125.216 122.820 0.241 0.000 2.520 360 A HA 0.505 4.825 4.320 -0.000 0.000 0.245 360 A C 0.496 178.319 177.584 0.399 0.000 1.072 360 A CA -0.361 51.867 52.037 0.318 0.000 0.761 360 A CB 0.133 19.352 19.000 0.365 0.000 1.004 360 A HN 0.614 nan 8.150 nan 0.000 0.499 361 R N 2.625 123.260 120.500 0.226 0.000 2.691 361 R HA 0.354 4.694 4.340 -0.000 0.000 0.259 361 R C -1.967 174.440 176.300 0.177 0.000 1.048 361 R CA -1.916 54.294 56.100 0.182 0.000 1.086 361 R CB 0.178 30.520 30.300 0.070 0.000 1.166 361 R HN 0.372 nan 8.270 nan 0.000 0.526 362 P HA -0.166 nan 4.420 nan 0.000 0.216 362 P C 0.689 178.020 177.300 0.052 0.000 1.153 362 P CA 1.505 64.672 63.100 0.112 0.000 0.858 362 P CB 0.133 31.822 31.700 -0.018 0.000 0.789 363 R N -0.783 119.728 120.500 0.018 0.000 2.189 363 R HA -0.082 4.258 4.340 -0.000 0.000 0.223 363 R C 1.757 178.052 176.300 -0.009 0.000 1.092 363 R CA 0.992 57.089 56.100 -0.005 0.000 0.989 363 R CB -0.671 29.621 30.300 -0.014 0.000 0.876 363 R HN 0.272 nan 8.270 nan 0.000 0.457 364 D N 1.075 121.480 120.400 0.008 0.000 2.104 364 D HA -0.155 4.485 4.640 -0.000 0.000 0.194 364 D C 1.983 178.254 176.300 -0.049 0.000 0.994 364 D CA 1.166 55.160 54.000 -0.011 0.000 0.830 364 D CB -0.091 40.722 40.800 0.022 0.000 0.959 364 D HN 0.198 nan 8.370 nan 0.000 0.452 365 L N 0.637 121.834 121.223 -0.043 0.000 2.093 365 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 365 L C 2.579 179.400 176.870 -0.082 0.000 1.085 365 L CA 0.930 55.711 54.840 -0.098 0.000 0.755 365 L CB -0.412 41.567 42.059 -0.134 0.000 0.904 365 L HN -0.033 nan 8.230 nan 0.000 0.435 366 A N 0.225 123.017 122.820 -0.046 0.000 1.897 366 A HA -0.158 4.162 4.320 -0.000 0.000 0.215 366 A C 2.400 179.969 177.584 -0.026 0.000 1.181 366 A CA 1.114 53.131 52.037 -0.034 0.000 0.620 366 A CB -0.392 18.589 19.000 -0.031 0.000 0.821 366 A HN 0.280 nan 8.150 nan 0.000 0.443 367 R N -1.159 119.320 120.500 -0.036 0.000 2.096 367 R HA -0.119 4.221 4.340 -0.000 0.000 0.235 367 R C 2.323 178.570 176.300 -0.088 0.000 1.127 367 R CA 1.648 57.737 56.100 -0.018 0.000 0.968 367 R CB -0.428 29.855 30.300 -0.029 0.000 0.861 367 R HN 0.697 nan 8.270 nan 0.000 0.440 368 M N 0.703 120.192 119.600 -0.185 0.000 2.117 368 M HA -0.206 4.274 4.480 -0.000 0.000 0.262 368 M C 2.450 178.409 176.300 -0.569 0.000 1.065 368 M CA 1.616 56.667 55.300 -0.415 0.000 1.114 368 M CB -0.095 32.263 32.600 -0.403 0.000 1.361 368 M HN 0.001 nan 8.290 nan 0.000 0.408 369 R N -1.048 119.309 120.500 -0.239 0.000 2.070 369 R HA -0.260 4.080 4.340 -0.000 0.000 0.233 369 R C 2.236 178.548 176.300 0.020 0.000 1.137 369 R CA 2.278 58.359 56.100 -0.033 0.000 0.945 369 R CB -0.811 29.513 30.300 0.040 0.000 0.845 369 R HN 0.506 nan 8.270 nan 0.000 0.430 370 H N 0.175 119.197 119.070 -0.080 0.000 2.426 370 H HA -0.072 4.484 4.556 -0.000 0.000 0.298 370 H C 1.609 176.906 175.328 -0.050 0.000 1.107 370 H CA 2.075 58.094 56.048 -0.048 0.000 1.298 370 H CB -0.155 29.575 29.762 -0.054 0.000 1.377 370 H HN 0.438 nan 8.280 nan 0.000 0.519 371 A N -0.623 122.067 122.820 -0.217 0.000 1.970 371 A HA -0.006 4.314 4.320 -0.000 0.000 0.216 371 A C 1.912 179.440 177.584 -0.093 0.000 1.170 371 A CA 0.805 52.698 52.037 -0.240 0.000 0.645 371 A CB -0.692 18.152 19.000 -0.260 0.000 0.816 371 A HN 0.373 nan 8.150 nan 0.000 0.447 372 F N 0.682 120.609 119.950 -0.038 0.000 2.216 372 F HA -0.137 4.390 4.527 -0.000 0.000 0.300 372 F C 2.535 178.332 175.800 -0.005 0.000 1.085 372 F CA 1.216 59.223 58.000 0.012 0.000 1.326 372 F CB -0.834 38.180 39.000 0.024 0.000 1.027 372 F HN 0.347 nan 8.300 nan 0.000 0.497 373 Q N -0.476 119.408 119.800 0.139 0.000 2.224 373 Q HA -0.177 4.163 4.340 -0.000 0.000 0.203 373 Q C 1.947 177.952 176.000 0.009 0.000 0.970 373 Q CA 0.943 56.783 55.803 0.062 0.000 0.865 373 Q CB -0.149 28.614 28.738 0.042 0.000 0.922 373 Q HN 0.375 nan 8.270 nan 0.000 0.445 374 Q N 0.216 119.994 119.800 -0.037 0.000 2.311 374 Q HA -0.002 4.338 4.340 -0.000 0.000 0.203 374 Q C 2.058 178.063 176.000 0.009 0.000 0.954 374 Q CA 0.635 56.413 55.803 -0.042 0.000 0.885 374 Q CB -0.025 28.658 28.738 -0.092 0.000 0.963 374 Q HN 0.438 nan 8.270 nan 0.000 0.471 375 L N 0.923 122.180 121.223 0.056 0.000 2.012 375 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 375 L C -0.479 176.405 176.870 0.024 0.000 1.073 375 L CA 1.394 56.273 54.840 0.064 0.000 0.748 375 L CB -2.032 40.103 42.059 0.128 0.000 0.891 375 L HN 0.136 nan 8.230 nan 0.000 0.431 376 P HA -0.228 nan 4.420 nan 0.000 0.215 376 P C 1.376 178.676 177.300 -0.000 0.000 1.157 376 P CA 1.424 64.524 63.100 0.000 0.000 0.874 376 P CB 0.069 31.770 31.700 0.003 0.000 0.790 377 E N -0.292 119.910 120.200 0.003 0.000 2.110 377 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 377 E C 1.906 178.508 176.600 0.002 0.000 0.988 377 E CA 1.191 57.593 56.400 0.003 0.000 0.804 377 E CB -1.198 28.503 29.700 0.002 0.000 0.745 377 E HN 0.150 nan 8.360 nan 0.000 0.458 378 L N -0.272 120.951 121.223 -0.001 0.000 2.109 378 L HA -0.046 4.294 4.340 -0.000 0.000 0.207 378 L C 2.690 179.549 176.870 -0.017 0.000 1.086 378 L CA 1.017 55.854 54.840 -0.006 0.000 0.760 378 L CB -0.316 41.742 42.059 -0.002 0.000 0.910 378 L HN 0.049 nan 8.230 nan 0.000 0.437 379 R N 0.016 120.506 120.500 -0.017 0.000 2.081 379 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 379 R C 2.445 178.727 176.300 -0.031 0.000 1.131 379 R CA 1.383 57.466 56.100 -0.028 0.000 0.960 379 R CB -0.486 29.796 30.300 -0.029 0.000 0.856 379 R HN 0.360 nan 8.270 nan 0.000 0.436 380 A N 1.222 124.031 122.820 -0.017 0.000 1.845 380 A HA -0.236 4.084 4.320 -0.000 0.000 0.215 380 A C 2.087 179.668 177.584 -0.006 0.000 1.195 380 A CA 1.348 53.379 52.037 -0.009 0.000 0.616 380 A CB -0.601 18.400 19.000 0.002 0.000 0.832 380 A HN 0.332 nan 8.150 nan 0.000 0.443 381 Q N -0.627 119.175 119.800 0.004 0.000 2.096 381 Q HA -0.128 4.212 4.340 -0.000 0.000 0.204 381 Q C 2.029 177.989 176.000 -0.066 0.000 0.982 381 Q CA 1.527 57.347 55.803 0.028 0.000 0.850 381 Q CB -0.314 28.454 28.738 0.049 0.000 0.901 381 Q HN 0.682 nan 8.270 nan 0.000 0.422 382 L N 0.359 121.512 121.223 -0.116 0.000 2.313 382 L HA -0.091 4.249 4.340 -0.000 0.000 0.214 382 L C 2.401 179.142 176.870 -0.215 0.000 1.119 382 L CA 0.470 55.178 54.840 -0.220 0.000 0.809 382 L CB -0.405 41.568 42.059 -0.143 0.000 0.933 382 L HN 0.323 nan 8.230 nan 0.000 0.449 383 E N 0.374 120.500 120.200 -0.124 0.000 2.130 383 E HA -0.254 4.096 4.350 -0.000 0.000 0.196 383 E C 1.706 178.247 176.600 -0.099 0.000 0.998 383 E CA 1.802 58.148 56.400 -0.089 0.000 0.806 383 E CB 0.107 29.779 29.700 -0.047 0.000 0.738 383 E HN 0.297 nan 8.360 nan 0.000 0.459 384 T N 0.422 114.912 114.554 -0.108 0.000 3.067 384 T HA 0.041 4.391 4.350 -0.000 0.000 0.261 384 T C 0.326 174.950 174.700 -0.127 0.000 1.110 384 T CA 0.113 62.183 62.100 -0.049 0.000 1.113 384 T CB 0.167 69.088 68.868 0.089 0.000 0.917 384 T HN -0.051 nan 8.240 nan 0.000 0.499 385 V N 3.132 122.811 119.914 -0.393 0.000 2.540 385 V HA 0.049 4.169 4.120 -0.000 0.000 0.297 385 V C 0.454 176.457 176.094 -0.152 0.000 1.024 385 V CA -0.491 61.550 62.300 -0.432 0.000 1.105 385 V CB 0.525 31.982 31.823 -0.611 0.000 0.938 385 V HN 0.274 nan 8.190 nan 0.000 0.482 386 D N 3.960 124.331 120.400 -0.047 0.000 2.470 386 D HA 0.314 4.954 4.640 -0.000 0.000 0.226 386 D C -0.178 176.117 176.300 -0.009 0.000 1.196 386 D CA 0.588 54.583 54.000 -0.009 0.000 0.979 386 D CB 0.204 41.022 40.800 0.030 0.000 1.059 386 D HN 0.551 nan 8.370 nan 0.000 0.515 387 S N 1.333 117.016 115.700 -0.028 0.000 2.590 387 S HA 0.496 4.966 4.470 -0.000 0.000 0.286 387 S C 0.678 175.268 174.600 -0.017 0.000 1.147 387 S CA -0.146 58.046 58.200 -0.013 0.000 0.963 387 S CB 0.859 64.050 63.200 -0.015 0.000 1.124 387 S HN 0.311 nan 8.310 nan 0.000 0.458 388 A N 5.943 128.761 122.820 -0.004 0.000 1.877 388 A HA 0.098 4.418 4.320 -0.000 0.000 0.216 388 A C -0.822 176.760 177.584 -0.003 0.000 1.186 388 A CA 1.716 53.751 52.037 -0.005 0.000 0.620 388 A CB -1.636 17.365 19.000 0.001 0.000 0.822 388 A HN 0.635 nan 8.150 nan 0.000 0.443 389 P HA -0.099 nan 4.420 nan 0.000 0.215 389 P C 1.604 178.909 177.300 0.008 0.000 1.153 389 P CA 1.257 64.366 63.100 0.015 0.000 0.853 389 P CB -0.143 31.574 31.700 0.029 0.000 0.788 390 V N -0.141 119.768 119.914 -0.009 0.000 2.407 390 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 390 V C 2.479 178.549 176.094 -0.041 0.000 1.055 390 V CA 1.684 63.965 62.300 -0.032 0.000 1.049 390 V CB -1.099 30.681 31.823 -0.072 0.000 0.662 390 V HN 0.139 nan 8.190 nan 0.000 0.455 391 Q N -0.165 119.610 119.800 -0.041 0.000 2.167 391 Q HA -0.031 4.308 4.340 -0.000 0.000 0.202 391 Q C 2.375 178.361 176.000 -0.023 0.000 0.970 391 Q CA 1.677 57.456 55.803 -0.040 0.000 0.855 391 Q CB -0.577 28.138 28.738 -0.038 0.000 0.911 391 Q HN 0.653 nan 8.270 nan 0.000 0.438 392 A N 0.396 123.209 122.820 -0.011 0.000 2.014 392 A HA -0.044 4.276 4.320 -0.000 0.000 0.218 392 A C 2.178 179.767 177.584 0.008 0.000 1.163 392 A CA 0.633 52.670 52.037 -0.000 0.000 0.652 392 A CB -0.445 18.560 19.000 0.008 0.000 0.808 392 A HN 0.284 nan 8.150 nan 0.000 0.449 393 L N -1.046 120.184 121.223 0.010 0.000 2.109 393 L HA -0.089 4.251 4.340 -0.000 0.000 0.207 393 L C 2.744 179.620 176.870 0.009 0.000 1.086 393 L CA 1.333 56.185 54.840 0.020 0.000 0.760 393 L CB -0.379 41.694 42.059 0.023 0.000 0.910 393 L HN 0.437 nan 8.230 nan 0.000 0.437 394 R N 0.470 120.964 120.500 -0.011 0.000 2.092 394 R HA -0.220 4.120 4.340 -0.000 0.000 0.231 394 R C 2.115 178.401 176.300 -0.023 0.000 1.119 394 R CA 1.768 57.855 56.100 -0.022 0.000 0.970 394 R CB 0.021 30.295 30.300 -0.043 0.000 0.864 394 R HN 0.305 nan 8.270 nan 0.000 0.440 395 E N 0.916 121.103 120.200 -0.023 0.000 2.017 395 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 395 E C 1.917 178.505 176.600 -0.020 0.000 0.997 395 E CA 1.590 57.972 56.400 -0.030 0.000 0.804 395 E CB -0.058 29.628 29.700 -0.024 0.000 0.757 395 E HN 0.174 nan 8.360 nan 0.000 0.448 396 K N -0.084 120.320 120.400 0.008 0.000 2.211 396 K HA -0.173 4.147 4.320 -0.000 0.000 0.204 396 K C 2.159 178.799 176.600 0.067 0.000 1.047 396 K CA 1.383 57.692 56.287 0.038 0.000 0.935 396 K CB -0.179 32.350 32.500 0.049 0.000 0.728 396 K HN 0.299 nan 8.250 nan 0.000 0.452 397 M N 0.063 119.694 119.600 0.052 0.000 2.213 397 M HA -0.079 4.401 4.480 -0.000 0.000 0.263 397 M C 0.713 177.078 176.300 0.109 0.000 1.062 397 M CA 1.605 56.958 55.300 0.089 0.000 1.105 397 M CB -0.297 32.334 32.600 0.051 0.000 1.385 397 M HN 0.330 nan 8.290 nan 0.000 0.417 398 G N 0.343 109.117 108.800 -0.043 0.000 2.752 398 G HA2 -0.308 3.651 3.960 -0.000 0.000 0.234 398 G HA3 -0.308 3.651 3.960 -0.000 0.000 0.234 398 G C -0.205 174.535 174.900 -0.268 0.000 1.367 398 G CA 0.276 45.194 45.100 -0.303 0.000 0.879 398 G HN 0.587 nan 8.290 nan 0.000 0.563 399 E N -2.057 117.810 120.200 -0.554 0.000 3.454 399 E HA 0.399 4.749 4.350 -0.000 0.000 0.208 399 E C 0.630 177.083 176.600 -0.246 0.000 1.153 399 E CA 0.123 56.359 56.400 -0.273 0.000 1.553 399 E CB 0.358 29.915 29.700 -0.239 0.000 1.423 399 E HN 0.844 nan 8.360 nan 0.000 0.662 400 F N 0.770 120.562 119.950 -0.263 0.000 3.039 400 F HA -0.266 4.261 4.527 -0.000 0.000 0.287 400 F C 1.202 176.702 175.800 -0.500 0.000 0.956 400 F CA 0.089 57.791 58.000 -0.497 0.000 0.971 400 F CB -1.729 36.713 39.000 -0.930 0.000 0.943 400 F HN 0.233 nan 8.300 nan 0.000 0.766 401 A N -0.536 122.166 122.820 -0.196 0.000 2.019 401 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 401 A C 2.184 179.691 177.584 -0.128 0.000 1.164 401 A CA 1.753 53.708 52.037 -0.136 0.000 0.644 401 A CB -0.161 18.782 19.000 -0.095 0.000 0.805 401 A HN 0.508 nan 8.150 nan 0.000 0.449 402 E N 0.272 120.384 120.200 -0.146 0.000 2.107 402 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 402 E C 2.015 178.533 176.600 -0.137 0.000 0.982 402 E CA 0.858 57.189 56.400 -0.116 0.000 0.809 402 E CB -0.398 29.236 29.700 -0.109 0.000 0.756 402 E HN 0.696 nan 8.360 nan 0.000 0.459 403 L N 0.494 121.572 121.223 -0.242 0.000 2.156 403 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 403 L C 2.756 179.552 176.870 -0.124 0.000 1.095 403 L CA 0.701 55.399 54.840 -0.238 0.000 0.770 403 L CB -0.502 41.305 42.059 -0.420 0.000 0.914 403 L HN 0.050 nan 8.230 nan 0.000 0.439 404 R N 0.899 121.296 120.500 -0.173 0.000 2.075 404 R HA -0.216 4.124 4.340 -0.000 0.000 0.232 404 R C 1.832 178.155 176.300 0.039 0.000 1.126 404 R CA 2.237 58.361 56.100 0.040 0.000 0.963 404 R CB -0.121 30.188 30.300 0.015 0.000 0.858 404 R HN 0.331 nan 8.270 nan 0.000 0.435 405 D N 0.032 120.429 120.400 -0.006 0.000 2.162 405 D HA -0.146 4.494 4.640 -0.000 0.000 0.203 405 D C 2.012 178.324 176.300 0.020 0.000 0.967 405 D CA 0.527 54.533 54.000 0.010 0.000 0.840 405 D CB 0.020 40.821 40.800 0.001 0.000 0.972 405 D HN 0.209 nan 8.370 nan 0.000 0.482 406 L N 0.108 121.336 121.223 0.008 0.000 2.042 406 L HA -0.039 4.301 4.340 -0.000 0.000 0.210 406 L C 1.882 178.730 176.870 -0.036 0.000 1.076 406 L CA 1.576 56.427 54.840 0.019 0.000 0.749 406 L CB -0.279 41.782 42.059 0.004 0.000 0.893 406 L HN 0.181 nan 8.230 nan 0.000 0.432 407 L N -1.264 119.944 121.223 -0.026 0.000 2.446 407 L HA -0.021 4.319 4.340 -0.000 0.000 0.219 407 L C 2.299 179.143 176.870 -0.043 0.000 1.116 407 L CA 0.480 55.286 54.840 -0.056 0.000 0.844 407 L CB -0.331 41.732 42.059 0.006 0.000 0.970 407 L HN 0.346 nan 8.230 nan 0.000 0.457 408 E N 0.352 120.551 120.200 -0.003 0.000 2.107 408 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 408 E C 2.235 178.832 176.600 -0.006 0.000 0.982 408 E CA 0.978 57.383 56.400 0.008 0.000 0.809 408 E CB 0.246 29.963 29.700 0.029 0.000 0.756 408 E HN 0.360 nan 8.360 nan 0.000 0.459 409 R N -0.302 120.195 120.500 -0.005 0.000 2.090 409 R HA 0.119 4.459 4.340 -0.000 0.000 0.219 409 R C 2.231 178.473 176.300 -0.097 0.000 1.100 409 R CA 0.904 57.025 56.100 0.035 0.000 0.991 409 R CB -0.059 30.337 30.300 0.159 0.000 0.893 409 R HN 0.040 nan 8.270 nan 0.000 0.443 410 A N 0.906 123.503 122.820 -0.371 0.000 1.930 410 A HA 0.039 4.359 4.320 -0.000 0.000 0.217 410 A C 1.034 178.364 177.584 -0.422 0.000 1.175 410 A CA 0.905 52.400 52.037 -0.904 0.000 0.627 410 A CB -0.035 18.422 19.000 -0.905 0.000 0.815 410 A HN 0.129 nan 8.150 nan 0.000 0.443 411 I N -0.245 120.198 120.570 -0.211 0.000 2.785 411 I HA 0.358 4.528 4.170 -0.000 0.000 0.302 411 I C 0.005 176.089 176.117 -0.055 0.000 1.069 411 I CA -1.130 60.107 61.300 -0.105 0.000 1.045 411 I CB 2.105 40.058 38.000 -0.079 0.000 1.236 411 I HN 0.436 nan 8.210 nan 0.000 0.429 412 I N 0.044 120.595 120.570 -0.032 0.000 3.276 412 I HA 0.295 4.465 4.170 -0.000 0.000 0.306 412 I C 0.537 176.642 176.117 -0.021 0.000 1.060 412 I CA -0.212 61.077 61.300 -0.018 0.000 1.133 412 I CB 0.478 38.472 38.000 -0.011 0.000 1.473 412 I HN 0.476 nan 8.210 nan 0.000 0.649 413 D N 0.801 121.190 120.400 -0.018 0.000 2.117 413 D HA -0.065 4.575 4.640 -0.000 0.000 0.198 413 D C 0.681 176.959 176.300 -0.037 0.000 0.982 413 D CA 1.999 55.984 54.000 -0.025 0.000 0.828 413 D CB -0.188 40.599 40.800 -0.021 0.000 0.967 413 D HN 0.821 nan 8.370 nan 0.000 0.464 414 T N -0.568 113.966 114.554 -0.033 0.000 3.296 414 T HA 0.355 4.705 4.350 -0.000 0.000 0.333 414 T C -2.776 171.906 174.700 -0.030 0.000 1.280 414 T CA -1.483 60.594 62.100 -0.038 0.000 1.558 414 T CB 1.905 70.749 68.868 -0.041 0.000 0.929 414 T HN -0.159 nan 8.240 nan 0.000 0.596 415 P HA 0.375 nan 4.420 nan 0.000 0.274 415 P C -2.471 174.810 177.300 -0.030 0.000 1.231 415 P CA -1.280 61.803 63.100 -0.027 0.000 0.790 415 P CB 0.150 31.836 31.700 -0.023 0.000 0.951 416 P HA -0.007 nan 4.420 nan 0.000 0.273 416 P C 1.142 178.420 177.300 -0.037 0.000 1.250 416 P CA -0.204 62.876 63.100 -0.033 0.000 0.793 416 P CB 0.488 32.168 31.700 -0.034 0.000 1.011 417 V N -0.175 119.721 119.914 -0.029 0.000 2.392 417 V HA -0.164 3.956 4.120 -0.000 0.000 0.249 417 V C 1.336 177.409 176.094 -0.035 0.000 1.059 417 V CA 1.702 63.987 62.300 -0.025 0.000 1.051 417 V CB -0.943 30.870 31.823 -0.016 0.000 0.658 417 V HN 0.347 nan 8.190 nan 0.000 0.455 418 L N -0.713 120.480 121.223 -0.050 0.000 2.333 418 L HA 0.407 4.747 4.340 -0.000 0.000 0.269 418 L C 0.990 177.783 176.870 -0.129 0.000 1.010 418 L CA -0.504 54.293 54.840 -0.072 0.000 0.818 418 L CB 1.814 43.847 42.059 -0.043 0.000 1.306 418 L HN -0.007 nan 8.230 nan 0.000 0.430 419 V N -1.408 118.381 119.914 -0.208 0.000 3.129 419 V HA -0.022 4.098 4.120 -0.000 0.000 0.259 419 V C 2.199 178.201 176.094 -0.153 0.000 1.116 419 V CA 0.767 62.896 62.300 -0.285 0.000 1.127 419 V CB -0.745 30.762 31.823 -0.527 0.000 0.742 419 V HN 0.922 nan 8.190 nan 0.000 0.474 420 R N 0.934 121.376 120.500 -0.097 0.000 2.119 420 R HA -0.193 4.147 4.340 -0.000 0.000 0.246 420 R C 1.492 177.766 176.300 -0.043 0.000 1.146 420 R CA 2.339 58.407 56.100 -0.053 0.000 0.962 420 R CB -0.233 30.052 30.300 -0.026 0.000 0.863 420 R HN 0.615 nan 8.270 nan 0.000 0.442 421 D N -0.837 119.537 120.400 -0.043 0.000 2.340 421 D HA 0.164 4.803 4.640 -0.000 0.000 0.217 421 D C 0.888 177.167 176.300 -0.036 0.000 1.081 421 D CA 0.832 54.812 54.000 -0.032 0.000 0.842 421 D CB 0.690 41.476 40.800 -0.023 0.000 0.934 421 D HN 0.475 nan 8.370 nan 0.000 0.511 422 G N 0.866 109.635 108.800 -0.052 0.000 2.598 422 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.244 422 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.244 422 G C 0.807 175.685 174.900 -0.036 0.000 1.302 422 G CA 0.065 45.139 45.100 -0.043 0.000 0.903 422 G HN 0.836 nan 8.290 nan 0.000 0.575 423 G N -2.817 105.973 108.800 -0.017 0.000 2.198 423 G HA2 0.067 4.027 3.960 -0.000 0.000 0.260 423 G HA3 0.067 4.027 3.960 -0.000 0.000 0.260 423 G C 1.677 176.567 174.900 -0.017 0.000 1.025 423 G CA 2.007 47.100 45.100 -0.011 0.000 0.769 423 G HN 2.513 nan 8.290 nan 0.000 0.507 424 V N -2.521 117.380 119.914 -0.023 0.000 3.048 424 V HA 0.495 4.614 4.120 -0.000 0.000 0.241 424 V C 1.300 177.394 176.094 -0.000 0.000 1.129 424 V CA 0.376 62.662 62.300 -0.022 0.000 1.128 424 V CB 0.017 31.804 31.823 -0.060 0.000 0.849 424 V HN 0.233 nan 8.190 nan 0.000 0.475 425 I N 2.664 123.245 120.570 0.020 0.000 2.529 425 I HA 0.551 4.721 4.170 -0.000 0.000 0.284 425 I C 0.831 176.967 176.117 0.031 0.000 1.082 425 I CA 0.186 61.499 61.300 0.021 0.000 1.406 425 I CB 0.489 38.544 38.000 0.092 0.000 1.405 425 I HN 0.407 nan 8.210 nan 0.000 0.548 426 A N 5.232 128.061 122.820 0.015 0.000 2.279 426 A HA 0.545 4.865 4.320 -0.000 0.000 0.303 426 A C 0.385 178.022 177.584 0.087 0.000 1.108 426 A CA -0.501 51.558 52.037 0.037 0.000 0.830 426 A CB 0.376 19.385 19.000 0.015 0.000 1.106 426 A HN 0.807 nan 8.150 nan 0.000 0.493 427 S N 0.255 115.997 115.700 0.069 0.000 2.549 427 S HA 0.494 4.964 4.470 -0.000 0.000 0.279 427 S C 1.053 175.701 174.600 0.081 0.000 1.321 427 S CA 0.219 58.464 58.200 0.073 0.000 1.054 427 S CB 0.850 64.080 63.200 0.049 0.000 0.899 427 S HN 2.531 nan 8.310 nan 0.000 0.497 428 G N 1.555 110.405 108.800 0.083 0.000 2.232 428 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.226 428 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.226 428 G C 0.403 175.370 174.900 0.111 0.000 0.996 428 G CA 0.359 45.503 45.100 0.074 0.000 0.626 428 G HN 0.885 nan 8.290 nan 0.000 0.509 429 Y N 1.696 122.006 120.300 0.016 0.000 2.243 429 Y HA 0.302 4.852 4.550 -0.000 0.000 0.293 429 Y C 1.045 176.957 175.900 0.020 0.000 1.124 429 Y CA 1.605 59.716 58.100 0.018 0.000 1.159 429 Y CB 0.369 38.843 38.460 0.023 0.000 1.008 429 Y HN 0.318 nan 8.280 nan 0.000 0.527 430 N N 0.219 118.905 118.700 -0.024 0.000 2.371 430 N HA 0.038 4.778 4.740 -0.000 0.000 0.291 430 N C 0.170 175.664 175.510 -0.026 0.000 1.053 430 N CA -0.122 52.869 53.050 -0.097 0.000 0.870 430 N CB 1.648 40.117 38.487 -0.029 0.000 1.503 430 N HN 0.332 nan 8.380 nan 0.000 0.485 431 E N 2.175 122.342 120.200 -0.055 0.000 2.106 431 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 431 E C 0.790 177.350 176.600 -0.066 0.000 0.984 431 E CA 1.059 57.427 56.400 -0.054 0.000 0.806 431 E CB 0.353 30.013 29.700 -0.066 0.000 0.750 431 E HN 0.620 nan 8.360 nan 0.000 0.458 432 E N 0.464 120.633 120.200 -0.051 0.000 2.031 432 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 432 E C 2.262 178.861 176.600 -0.001 0.000 0.994 432 E CA 0.844 57.202 56.400 -0.072 0.000 0.800 432 E CB -0.171 29.561 29.700 0.053 0.000 0.752 432 E HN 0.191 nan 8.360 nan 0.000 0.447 433 L N 1.819 123.115 121.223 0.121 0.000 2.042 433 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 433 L C 1.495 178.446 176.870 0.135 0.000 1.076 433 L CA 1.948 56.904 54.840 0.193 0.000 0.749 433 L CB -0.390 41.768 42.059 0.165 0.000 0.893 433 L HN -0.029 nan 8.230 nan 0.000 0.432 434 D N -0.565 119.870 120.400 0.058 0.000 2.117 434 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 434 D C 2.133 178.434 176.300 0.002 0.000 0.987 434 D CA 1.450 55.470 54.000 0.033 0.000 0.829 434 D CB 0.008 40.812 40.800 0.008 0.000 0.961 434 D HN 0.506 nan 8.370 nan 0.000 0.460 435 E N -0.681 119.469 120.200 -0.083 0.000 2.072 435 E HA -0.118 4.232 4.350 -0.000 0.000 0.190 435 E C 2.070 178.592 176.600 -0.129 0.000 0.982 435 E CA 0.563 56.858 56.400 -0.176 0.000 0.803 435 E CB -0.168 29.321 29.700 -0.351 0.000 0.755 435 E HN 0.436 nan 8.360 nan 0.000 0.453 436 W N 1.103 122.408 121.300 0.009 0.000 2.358 436 W HA -0.124 4.536 4.660 -0.000 0.000 0.303 436 W C 2.502 179.027 176.519 0.009 0.000 1.208 436 W CA 0.361 57.711 57.345 0.008 0.000 1.274 436 W CB -0.045 29.421 29.460 0.010 0.000 1.138 436 W HN -0.030 nan 8.180 nan 0.000 0.515 437 R N -0.050 120.589 120.500 0.231 0.000 2.120 437 R HA -0.121 4.218 4.340 -0.000 0.000 0.234 437 R C 2.285 178.643 176.300 0.097 0.000 1.123 437 R CA 1.348 57.530 56.100 0.138 0.000 0.975 437 R CB -0.592 29.769 30.300 0.101 0.000 0.866 437 R HN 0.164 nan 8.270 nan 0.000 0.446 438 A N 0.682 123.546 122.820 0.073 0.000 1.929 438 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 438 A C 2.048 179.668 177.584 0.059 0.000 1.176 438 A CA 0.882 52.946 52.037 0.045 0.000 0.628 438 A CB -0.250 18.756 19.000 0.009 0.000 0.816 438 A HN 0.167 nan 8.150 nan 0.000 0.444 439 L N -0.872 120.401 121.223 0.084 0.000 2.156 439 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 439 L C 3.018 179.956 176.870 0.114 0.000 1.095 439 L CA 0.776 55.677 54.840 0.102 0.000 0.770 439 L CB -0.484 41.661 42.059 0.144 0.000 0.914 439 L HN 0.404 nan 8.230 nan 0.000 0.439 440 A N 0.238 123.133 122.820 0.125 0.000 1.858 440 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 440 A C 1.936 179.563 177.584 0.071 0.000 1.190 440 A CA 2.024 54.117 52.037 0.093 0.000 0.617 440 A CB -0.559 18.493 19.000 0.086 0.000 0.827 440 A HN 0.324 nan 8.150 nan 0.000 0.443 441 D N -0.480 119.960 120.400 0.065 0.000 2.178 441 D HA -0.067 4.573 4.640 -0.000 0.000 0.201 441 D C 1.971 178.304 176.300 0.054 0.000 0.980 441 D CA 1.442 55.472 54.000 0.050 0.000 0.842 441 D CB -0.548 40.277 40.800 0.042 0.000 0.948 441 D HN 0.466 nan 8.370 nan 0.000 0.472 442 G N 0.354 109.195 108.800 0.069 0.000 2.453 442 G HA2 0.001 3.961 3.960 -0.000 0.000 0.215 442 G HA3 0.001 3.961 3.960 -0.000 0.000 0.215 442 G C 1.666 176.642 174.900 0.127 0.000 1.147 442 G CA 0.721 45.872 45.100 0.086 0.000 0.802 442 G HN 0.354 nan 8.290 nan 0.000 0.535 443 A N 0.329 123.227 122.820 0.129 0.000 1.969 443 A HA 0.044 4.364 4.320 -0.000 0.000 0.218 443 A C 2.456 180.090 177.584 0.084 0.000 1.169 443 A CA 2.266 54.407 52.037 0.173 0.000 0.635 443 A CB -0.687 18.395 19.000 0.137 0.000 0.810 443 A HN 0.256 nan 8.150 nan 0.000 0.445 444 T N -0.176 114.405 114.554 0.046 0.000 2.857 444 T HA -0.086 4.264 4.350 -0.000 0.000 0.266 444 T C 1.516 176.216 174.700 -0.000 0.000 1.048 444 T CA 1.320 63.424 62.100 0.007 0.000 1.139 444 T CB -0.294 68.592 68.868 0.030 0.000 0.874 444 T HN 0.420 nan 8.240 nan 0.000 0.455 445 D N -0.042 120.371 120.400 0.022 0.000 2.178 445 D HA -0.056 4.584 4.640 -0.000 0.000 0.202 445 D C 1.671 177.953 176.300 -0.030 0.000 0.974 445 D CA 0.804 54.804 54.000 0.000 0.000 0.841 445 D CB -0.176 40.633 40.800 0.014 0.000 0.953 445 D HN 0.401 nan 8.370 nan 0.000 0.478 446 Y N 1.391 121.607 120.300 -0.139 0.000 2.181 446 Y HA -0.123 4.426 4.550 -0.000 0.000 0.288 446 Y C 2.206 177.911 175.900 -0.326 0.000 1.146 446 Y CA 1.210 59.151 58.100 -0.264 0.000 1.164 446 Y CB -0.323 37.876 38.460 -0.434 0.000 0.982 446 Y HN -0.104 nan 8.280 nan 0.000 0.515 447 L N -0.211 120.967 121.223 -0.076 0.000 2.141 447 L HA -0.174 4.166 4.340 -0.000 0.000 0.209 447 L C 2.256 179.041 176.870 -0.141 0.000 1.094 447 L CA 1.403 56.153 54.840 -0.150 0.000 0.763 447 L CB -0.467 41.424 42.059 -0.280 0.000 0.908 447 L HN 0.243 nan 8.230 nan 0.000 0.437 448 E N 0.065 120.197 120.200 -0.114 0.000 2.077 448 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 448 E C 2.290 178.812 176.600 -0.129 0.000 0.989 448 E CA 0.984 57.332 56.400 -0.088 0.000 0.800 448 E CB 0.022 29.687 29.700 -0.058 0.000 0.746 448 E HN 0.365 nan 8.360 nan 0.000 0.452 449 R N 0.294 120.669 120.500 -0.208 0.000 2.236 449 R HA 0.002 4.342 4.340 -0.000 0.000 0.208 449 R C 2.365 178.486 176.300 -0.298 0.000 1.036 449 R CA 0.237 56.184 56.100 -0.254 0.000 1.001 449 R CB -0.052 30.050 30.300 -0.330 0.000 0.896 449 R HN 0.181 nan 8.270 nan 0.000 0.464 450 L N 0.833 121.855 121.223 -0.335 0.000 2.109 450 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 450 L C 2.311 179.112 176.870 -0.116 0.000 1.086 450 L CA 1.519 56.211 54.840 -0.247 0.000 0.760 450 L CB -0.127 41.819 42.059 -0.189 0.000 0.910 450 L HN 0.185 nan 8.230 nan 0.000 0.437 451 E N -0.516 119.629 120.200 -0.092 0.000 2.028 451 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 451 E C 2.061 178.641 176.600 -0.034 0.000 0.988 451 E CA 1.827 58.205 56.400 -0.037 0.000 0.799 451 E CB -0.026 29.659 29.700 -0.025 0.000 0.755 451 E HN 0.389 nan 8.360 nan 0.000 0.447 452 V N 1.442 121.321 119.914 -0.059 0.000 2.490 452 V HA -0.234 3.886 4.120 -0.000 0.000 0.250 452 V C 2.609 178.671 176.094 -0.053 0.000 1.061 452 V CA 2.060 64.329 62.300 -0.051 0.000 1.064 452 V CB -0.661 31.124 31.823 -0.063 0.000 0.670 452 V HN 0.292 nan 8.190 nan 0.000 0.461 453 R N 0.121 120.576 120.500 -0.076 0.000 2.061 453 R HA -0.145 4.195 4.340 -0.000 0.000 0.230 453 R C 2.343 178.624 176.300 -0.031 0.000 1.140 453 R CA 1.586 57.645 56.100 -0.067 0.000 0.940 453 R CB -0.209 30.029 30.300 -0.103 0.000 0.839 453 R HN 0.406 nan 8.270 nan 0.000 0.429 454 E N 0.368 120.563 120.200 -0.009 0.000 2.204 454 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 454 E C 1.971 178.581 176.600 0.017 0.000 0.990 454 E CA 1.050 57.471 56.400 0.036 0.000 0.821 454 E CB -0.163 29.600 29.700 0.104 0.000 0.750 454 E HN 0.352 nan 8.360 nan 0.000 0.477 455 R N 0.740 121.243 120.500 0.005 0.000 2.093 455 R HA -0.046 4.294 4.340 -0.000 0.000 0.224 455 R C 2.181 178.472 176.300 -0.015 0.000 1.101 455 R CA 0.964 57.064 56.100 -0.000 0.000 0.979 455 R CB 0.125 30.427 30.300 0.004 0.000 0.877 455 R HN -0.014 nan 8.270 nan 0.000 0.441 456 E N 0.342 120.529 120.200 -0.021 0.000 2.170 456 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 456 E C 1.788 178.371 176.600 -0.029 0.000 0.981 456 E CA 0.478 56.864 56.400 -0.024 0.000 0.830 456 E CB 0.107 29.791 29.700 -0.026 0.000 0.775 456 E HN 0.171 nan 8.360 nan 0.000 0.470 457 R N 0.481 120.963 120.500 -0.029 0.000 2.090 457 R HA -0.067 4.273 4.340 -0.000 0.000 0.228 457 R C 2.232 178.502 176.300 -0.049 0.000 1.110 457 R CA 1.812 57.892 56.100 -0.033 0.000 0.973 457 R CB -0.399 29.887 30.300 -0.024 0.000 0.869 457 R HN 0.250 nan 8.270 nan 0.000 0.440 458 T N -3.880 110.638 114.554 -0.061 0.000 3.067 458 T HA 0.125 4.475 4.350 -0.000 0.000 0.257 458 T C 1.302 175.954 174.700 -0.080 0.000 1.105 458 T CA 0.773 62.815 62.100 -0.096 0.000 1.104 458 T CB 0.269 69.052 68.868 -0.143 0.000 0.925 458 T HN 0.356 nan 8.240 nan 0.000 0.498 459 G N 1.526 110.294 108.800 -0.054 0.000 2.153 459 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.252 459 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.252 459 G C -0.101 174.776 174.900 -0.039 0.000 0.994 459 G CA 0.255 45.329 45.100 -0.042 0.000 0.698 459 G HN 0.653 nan 8.290 nan 0.000 0.521 460 L N 1.336 122.534 121.223 -0.042 0.000 2.277 460 L HA 0.373 4.713 4.340 -0.000 0.000 0.284 460 L C 1.112 177.979 176.870 -0.004 0.000 1.028 460 L CA -0.474 54.347 54.840 -0.030 0.000 0.835 460 L CB 1.226 43.255 42.059 -0.050 0.000 1.215 460 L HN 0.234 nan 8.230 nan 0.000 0.425 461 D N -0.162 120.240 120.400 0.003 0.000 2.371 461 D HA -0.140 4.500 4.640 -0.000 0.000 0.221 461 D C 1.432 177.747 176.300 0.025 0.000 0.986 461 D CA 0.851 54.857 54.000 0.011 0.000 0.899 461 D CB -0.001 40.804 40.800 0.009 0.000 0.902 461 D HN 0.565 nan 8.370 nan 0.000 0.530 462 T N -2.315 112.260 114.554 0.035 0.000 3.086 462 T HA 0.142 4.491 4.350 -0.000 0.000 0.250 462 T C 0.856 175.600 174.700 0.073 0.000 1.074 462 T CA -0.657 61.475 62.100 0.053 0.000 0.988 462 T CB -0.430 68.475 68.868 0.061 0.000 0.988 462 T HN 0.150 nan 8.240 nan 0.000 0.530 463 L N 2.712 123.975 121.223 0.066 0.000 2.418 463 L HA 0.359 4.699 4.340 -0.000 0.000 0.274 463 L C -0.123 176.798 176.870 0.086 0.000 1.135 463 L CA -0.125 54.771 54.840 0.093 0.000 0.870 463 L CB 0.234 42.341 42.059 0.081 0.000 1.154 463 L HN 0.348 nan 8.230 nan 0.000 0.462 464 K N 3.522 123.989 120.400 0.111 0.000 2.399 464 K HA 0.762 5.082 4.320 -0.000 0.000 0.260 464 K C -1.616 175.033 176.600 0.081 0.000 1.049 464 K CA -1.103 55.234 56.287 0.084 0.000 0.890 464 K CB 1.913 34.462 32.500 0.082 0.000 1.430 464 K HN 0.202 nan 8.250 nan 0.000 0.459 465 V N 1.081 121.011 119.914 0.026 0.000 2.419 465 V HA 0.484 4.604 4.120 -0.000 0.000 0.287 465 V C -0.235 175.771 176.094 -0.146 0.000 1.017 465 V CA -0.607 61.672 62.300 -0.035 0.000 0.844 465 V CB 1.314 33.147 31.823 0.018 0.000 1.011 465 V HN 0.917 nan 8.190 nan 0.000 0.429 466 G N 2.673 111.114 108.800 -0.599 0.000 2.491 466 G HA2 0.725 4.685 3.960 -0.000 0.000 0.327 466 G HA3 0.725 4.685 3.960 -0.000 0.000 0.327 466 G C -1.490 172.938 174.900 -0.786 0.000 1.189 466 G CA -0.516 44.158 45.100 -0.709 0.000 0.956 466 G HN 0.481 nan 8.290 nan 0.000 0.491 467 F N 0.033 119.674 119.950 -0.515 0.000 2.561 467 F HA 0.692 5.219 4.527 -0.000 0.000 0.321 467 F C -0.317 175.414 175.800 -0.114 0.000 1.065 467 F CA -1.007 56.696 58.000 -0.495 0.000 0.934 467 F CB 2.177 40.714 39.000 -0.773 0.000 1.215 467 F HN 0.532 nan 8.300 nan 0.000 0.471 468 N N 2.333 120.284 118.700 -1.248 0.000 2.598 468 N HA 0.457 5.197 4.740 -0.000 0.000 0.263 468 N C -0.212 174.777 175.510 -0.868 0.000 1.254 468 N CA -0.085 52.572 53.050 -0.653 0.000 0.863 468 N CB 2.172 40.544 38.487 -0.192 0.000 1.586 468 N HN 0.764 nan 8.380 nan 0.000 0.491 469 A N 1.229 123.796 122.820 -0.422 0.000 1.877 469 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 469 A C 1.720 179.157 177.584 -0.245 0.000 1.186 469 A CA 1.731 53.609 52.037 -0.264 0.000 0.620 469 A CB -0.622 18.293 19.000 -0.142 0.000 0.822 469 A HN 0.412 nan 8.150 nan 0.000 0.443 470 V N -0.897 118.846 119.914 -0.285 0.000 2.453 470 V HA -0.186 3.934 4.120 -0.000 0.000 0.247 470 V C 1.880 177.885 176.094 -0.147 0.000 1.048 470 V CA 2.106 64.240 62.300 -0.276 0.000 1.049 470 V CB -0.995 30.538 31.823 -0.483 0.000 0.672 470 V HN 0.770 nan 8.190 nan 0.000 0.457 471 H N -1.311 117.666 119.070 -0.155 0.000 2.893 471 H HA 0.442 4.998 4.556 -0.000 0.000 0.270 471 H C 1.550 176.837 175.328 -0.069 0.000 1.095 471 H CA 0.028 56.025 56.048 -0.084 0.000 1.186 471 H CB 0.827 30.553 29.762 -0.061 0.000 1.562 471 H HN 0.491 nan 8.280 nan 0.000 0.536 472 G N 1.252 109.958 108.800 -0.157 0.000 2.596 472 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.295 472 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.295 472 G C -0.372 174.408 174.900 -0.201 0.000 1.240 472 G CA 0.117 45.054 45.100 -0.271 0.000 0.985 472 G HN 0.348 nan 8.290 nan 0.000 0.555 473 Y N 0.877 121.310 120.300 0.222 0.000 2.379 473 Y HA 0.534 5.084 4.550 -0.000 0.000 0.337 473 Y C 0.800 176.789 175.900 0.149 0.000 1.238 473 Y CA 1.198 59.391 58.100 0.155 0.000 1.405 473 Y CB 0.884 39.447 38.460 0.172 0.000 1.310 473 Y HN 0.831 nan 8.280 nan 0.000 0.569 474 Y N -1.218 119.229 120.300 0.245 0.000 2.592 474 Y HA 0.646 5.196 4.550 -0.000 0.000 0.334 474 Y C -1.855 174.127 175.900 0.136 0.000 1.136 474 Y CA -2.093 56.087 58.100 0.132 0.000 1.042 474 Y CB 0.501 39.013 38.460 0.086 0.000 1.325 474 Y HN 0.391 nan 8.280 nan 0.000 0.457 475 I N 3.051 123.818 120.570 0.329 0.000 2.336 475 I HA 0.326 4.496 4.170 -0.000 0.000 0.292 475 I C -0.349 176.057 176.117 0.481 0.000 0.991 475 I CA -0.580 60.890 61.300 0.283 0.000 1.227 475 I CB 1.726 39.789 38.000 0.106 0.000 1.366 475 I HN 0.679 nan 8.210 nan 0.000 0.466 476 Q N 6.581 126.642 119.800 0.435 0.000 2.256 476 Q HA 0.674 5.014 4.340 -0.000 0.000 0.257 476 Q C -1.295 174.893 176.000 0.314 0.000 0.936 476 Q CA -0.538 55.501 55.803 0.394 0.000 0.903 476 Q CB 1.665 30.629 28.738 0.378 0.000 1.263 476 Q HN 0.569 nan 8.270 nan 0.000 0.440 477 I N 1.649 122.417 120.570 0.331 0.000 2.689 477 I HA 0.289 4.459 4.170 -0.000 0.000 0.299 477 I C -0.039 176.190 176.117 0.187 0.000 1.059 477 I CA -0.953 60.489 61.300 0.237 0.000 1.055 477 I CB 2.215 40.356 38.000 0.235 0.000 1.243 477 I HN 0.668 nan 8.210 nan 0.000 0.425 478 S N 4.530 120.308 115.700 0.130 0.000 2.593 478 S HA 0.162 4.632 4.470 -0.000 0.000 0.269 478 S C 1.228 175.895 174.600 0.111 0.000 1.334 478 S CA -0.207 58.055 58.200 0.103 0.000 1.015 478 S CB 1.135 64.382 63.200 0.079 0.000 0.912 478 S HN 0.804 nan 8.310 nan 0.000 0.541 479 R N 1.990 122.543 120.500 0.089 0.000 2.105 479 R HA -0.075 4.265 4.340 -0.000 0.000 0.239 479 R C 2.162 178.527 176.300 0.107 0.000 1.135 479 R CA 1.850 58.003 56.100 0.088 0.000 0.967 479 R CB -1.362 28.970 30.300 0.054 0.000 0.861 479 R HN 0.864 nan 8.270 nan 0.000 0.442 480 G N 0.208 109.064 108.800 0.094 0.000 2.440 480 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.218 480 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.218 480 G C 1.174 176.189 174.900 0.192 0.000 1.154 480 G CA 0.661 45.824 45.100 0.106 0.000 0.767 480 G HN 0.455 nan 8.290 nan 0.000 0.552 481 Q N 0.409 120.298 119.800 0.147 0.000 2.392 481 Q HA 0.060 4.400 4.340 -0.000 0.000 0.203 481 Q C 2.656 178.681 176.000 0.042 0.000 0.917 481 Q CA 0.614 56.471 55.803 0.090 0.000 0.939 481 Q CB 0.327 29.083 28.738 0.030 0.000 1.063 481 Q HN 0.607 nan 8.270 nan 0.000 0.516 482 S N 1.008 116.796 115.700 0.146 0.000 2.442 482 S HA -0.192 4.278 4.470 -0.000 0.000 0.236 482 S C 1.849 176.527 174.600 0.130 0.000 1.007 482 S CA 1.201 59.501 58.200 0.167 0.000 0.965 482 S CB -0.530 62.812 63.200 0.237 0.000 0.773 482 S HN 0.579 nan 8.310 nan 0.000 0.504 483 H N 1.324 120.423 119.070 0.048 0.000 2.524 483 H HA 0.191 4.747 4.556 -0.000 0.000 0.282 483 H C 1.456 176.775 175.328 -0.015 0.000 1.016 483 H CA 0.672 56.735 56.048 0.026 0.000 1.270 483 H CB -0.525 29.249 29.762 0.019 0.000 1.394 483 H HN 0.445 nan 8.280 nan 0.000 0.568 484 L N 1.518 122.354 121.223 -0.646 0.000 2.645 484 L HA 0.314 4.654 4.340 -0.000 0.000 0.234 484 L C 0.991 177.660 176.870 -0.334 0.000 1.165 484 L CA -0.198 54.351 54.840 -0.485 0.000 0.944 484 L CB -0.198 41.566 42.059 -0.493 0.000 1.149 484 L HN 0.188 nan 8.230 nan 0.000 0.446 485 A N 0.810 123.447 122.820 -0.305 0.000 2.477 485 A HA 0.383 4.703 4.320 -0.000 0.000 0.246 485 A C -2.031 175.260 177.584 -0.489 0.000 1.078 485 A CA -0.936 50.812 52.037 -0.481 0.000 0.770 485 A CB -0.372 18.337 19.000 -0.483 0.000 1.011 485 A HN 0.024 nan 8.150 nan 0.000 0.494 486 P HA 0.103 nan 4.420 nan 0.000 0.268 486 P C 0.616 177.757 177.300 -0.265 0.000 1.208 486 P CA -0.093 62.708 63.100 -0.499 0.000 0.777 486 P CB 0.338 31.646 31.700 -0.652 0.000 0.875 487 I N 1.249 121.754 120.570 -0.109 0.000 2.493 487 I HA -0.184 3.986 4.170 -0.000 0.000 0.254 487 I C 1.995 178.143 176.117 0.052 0.000 1.160 487 I CA 1.009 62.299 61.300 -0.018 0.000 1.445 487 I CB -0.597 37.397 38.000 -0.009 0.000 1.086 487 I HN 0.459 nan 8.210 nan 0.000 0.433 488 N N 0.541 119.293 118.700 0.086 0.000 2.512 488 N HA -0.183 4.557 4.740 -0.000 0.000 0.183 488 N C 0.320 175.978 175.510 0.246 0.000 1.073 488 N CA 0.493 53.633 53.050 0.150 0.000 0.911 488 N CB -0.279 38.292 38.487 0.141 0.000 0.964 488 N HN 0.190 nan 8.380 nan 0.000 0.447 489 Y N 1.409 121.694 120.300 -0.024 0.000 2.425 489 Y HA 0.186 4.736 4.550 -0.000 0.000 0.331 489 Y C 0.983 176.972 175.900 0.149 0.000 1.157 489 Y CA -0.483 57.617 58.100 -0.000 0.000 1.372 489 Y CB 0.577 38.863 38.460 -0.290 0.000 1.253 489 Y HN -0.043 nan 8.280 nan 0.000 0.536 490 M N 4.793 124.563 119.600 0.284 0.000 2.072 490 M HA 0.355 4.835 4.480 -0.000 0.000 0.331 490 M C -0.153 176.260 176.300 0.188 0.000 1.004 490 M CA -0.606 54.815 55.300 0.202 0.000 0.952 490 M CB 1.058 33.709 32.600 0.086 0.000 1.511 490 M HN 0.540 nan 8.290 nan 0.000 0.422 491 R N 1.659 122.243 120.500 0.141 0.000 2.585 491 R HA 0.087 4.427 4.340 -0.000 0.000 0.275 491 R C 1.016 177.209 176.300 -0.179 0.000 1.018 491 R CA 0.381 56.387 56.100 -0.156 0.000 1.072 491 R CB 1.050 31.270 30.300 -0.134 0.000 0.953 491 R HN 0.525 nan 8.270 nan 0.000 0.419 492 R N 1.207 121.526 120.500 -0.301 0.000 2.470 492 R HA 0.067 4.407 4.340 -0.000 0.000 0.210 492 R C -0.122 176.008 176.300 -0.282 0.000 0.873 492 R CA 0.229 56.123 56.100 -0.344 0.000 1.015 492 R CB 0.620 30.553 30.300 -0.611 0.000 1.348 492 R HN 0.600 nan 8.270 nan 0.000 0.650 493 Q N 0.749 120.392 119.800 -0.262 0.000 2.263 493 Q HA 0.260 4.600 4.340 -0.000 0.000 0.262 493 Q C -1.621 174.277 176.000 -0.169 0.000 0.984 493 Q CA -0.148 55.580 55.803 -0.124 0.000 0.813 493 Q CB 2.080 30.842 28.738 0.039 0.000 1.299 493 Q HN -0.130 nan 8.270 nan 0.000 0.428 494 T N 4.624 119.106 114.554 -0.120 0.000 2.817 494 T HA 0.431 4.781 4.350 -0.000 0.000 0.293 494 T C 0.009 174.664 174.700 -0.075 0.000 0.964 494 T CA -0.195 61.846 62.100 -0.099 0.000 1.085 494 T CB 0.291 69.117 68.868 -0.069 0.000 0.921 494 T HN 0.458 nan 8.240 nan 0.000 0.502 495 L N 2.268 123.452 121.223 -0.065 0.000 2.347 495 L HA 0.493 4.833 4.340 -0.000 0.000 0.268 495 L C 2.003 178.858 176.870 -0.026 0.000 1.019 495 L CA -1.002 53.810 54.840 -0.047 0.000 0.806 495 L CB 0.727 42.759 42.059 -0.045 0.000 1.339 495 L HN 0.586 nan 8.230 nan 0.000 0.463 496 K N 0.315 120.704 120.400 -0.018 0.000 2.103 496 K HA -0.173 4.147 4.320 -0.000 0.000 0.207 496 K C 0.860 177.461 176.600 0.001 0.000 1.048 496 K CA 1.932 58.213 56.287 -0.009 0.000 0.930 496 K CB 0.111 32.606 32.500 -0.007 0.000 0.716 496 K HN 0.530 nan 8.250 nan 0.000 0.444 497 N N -0.780 117.924 118.700 0.006 0.000 2.387 497 N HA 0.266 5.006 4.740 -0.000 0.000 0.259 497 N C -1.666 173.863 175.510 0.032 0.000 1.369 497 N CA 0.107 53.168 53.050 0.020 0.000 0.867 497 N CB 1.582 40.082 38.487 0.021 0.000 1.341 497 N HN 0.295 nan 8.380 nan 0.000 0.495 498 A N -0.555 122.280 122.820 0.025 0.000 2.557 498 A HA 0.779 5.099 4.320 -0.000 0.000 0.292 498 A C -1.677 175.915 177.584 0.013 0.000 1.139 498 A CA -0.589 51.475 52.037 0.045 0.000 0.665 498 A CB 1.279 20.312 19.000 0.055 0.000 1.285 498 A HN 0.035 nan 8.150 nan 0.000 0.433 499 E N 0.671 120.887 120.200 0.027 0.000 2.308 499 E HA 0.444 4.794 4.350 -0.000 0.000 0.275 499 E C -1.282 175.204 176.600 -0.190 0.000 0.890 499 E CA -0.680 55.642 56.400 -0.130 0.000 0.754 499 E CB 2.196 31.812 29.700 -0.140 0.000 1.207 499 E HN 0.628 nan 8.360 nan 0.000 0.426 500 R N 1.868 122.130 120.500 -0.396 0.000 2.732 500 R HA 0.678 5.018 4.340 -0.000 0.000 0.278 500 R C -0.745 175.291 176.300 -0.440 0.000 0.976 500 R CA -0.850 55.107 56.100 -0.238 0.000 0.963 500 R CB 1.255 31.340 30.300 -0.358 0.000 1.150 500 R HN 0.476 nan 8.270 nan 0.000 0.478 501 Y N 0.839 121.162 120.300 0.037 0.000 2.562 501 Y HA 0.478 5.028 4.550 -0.000 0.000 0.345 501 Y C 0.258 176.122 175.900 -0.059 0.000 1.045 501 Y CA -1.291 56.796 58.100 -0.021 0.000 1.028 501 Y CB 1.714 40.181 38.460 0.012 0.000 1.297 501 Y HN 0.518 nan 8.280 nan 0.000 0.463 502 I N 2.189 122.799 120.570 0.065 0.000 2.525 502 I HA 0.831 5.001 4.170 -0.000 0.000 0.301 502 I C -0.702 175.383 176.117 -0.053 0.000 0.992 502 I CA -1.019 60.288 61.300 0.011 0.000 1.162 502 I CB 1.892 39.904 38.000 0.020 0.000 1.332 502 I HN 0.644 nan 8.210 nan 0.000 0.458 503 I N 1.403 121.921 120.570 -0.086 0.000 2.846 503 I HA 0.588 4.758 4.170 -0.000 0.000 0.307 503 I C -2.097 174.023 176.117 0.005 0.000 1.053 503 I CA -2.275 58.989 61.300 -0.059 0.000 1.050 503 I CB 1.900 39.827 38.000 -0.122 0.000 1.239 503 I HN 0.322 nan 8.210 nan 0.000 0.439 504 P HA -0.172 nan 4.420 nan 0.000 0.220 504 P C 1.183 178.516 177.300 0.055 0.000 1.148 504 P CA 1.313 64.435 63.100 0.036 0.000 0.803 504 P CB 0.210 31.929 31.700 0.032 0.000 0.782 505 E N -0.494 119.750 120.200 0.073 0.000 2.077 505 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 505 E C 1.943 178.643 176.600 0.166 0.000 0.989 505 E CA 0.628 57.110 56.400 0.136 0.000 0.800 505 E CB -0.398 29.387 29.700 0.141 0.000 0.746 505 E HN -0.031 nan 8.360 nan 0.000 0.452 506 L N 1.286 122.565 121.223 0.094 0.000 2.012 506 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 506 L C 2.207 179.148 176.870 0.119 0.000 1.073 506 L CA 1.822 56.715 54.840 0.089 0.000 0.748 506 L CB -0.513 41.590 42.059 0.074 0.000 0.891 506 L HN -0.024 nan 8.230 nan 0.000 0.431 507 K N -0.454 120.009 120.400 0.104 0.000 2.147 507 K HA -0.175 4.145 4.320 -0.000 0.000 0.205 507 K C 2.111 178.750 176.600 0.066 0.000 1.049 507 K CA 1.179 57.526 56.287 0.099 0.000 0.936 507 K CB -0.189 32.353 32.500 0.069 0.000 0.722 507 K HN 0.400 nan 8.250 nan 0.000 0.446 508 E N -0.976 119.245 120.200 0.036 0.000 2.028 508 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 508 E C 1.567 178.072 176.600 -0.158 0.000 0.988 508 E CA 1.285 57.637 56.400 -0.081 0.000 0.799 508 E CB -0.081 29.532 29.700 -0.145 0.000 0.755 508 E HN 0.368 nan 8.360 nan 0.000 0.447 509 Y N 0.897 121.125 120.300 -0.119 0.000 2.373 509 Y HA -0.097 4.452 4.550 -0.000 0.000 0.293 509 Y C 2.340 178.176 175.900 -0.107 0.000 1.129 509 Y CA 1.356 59.359 58.100 -0.161 0.000 1.226 509 Y CB -0.153 38.163 38.460 -0.240 0.000 1.000 509 Y HN 0.206 nan 8.280 nan 0.000 0.549 510 E N 0.473 120.724 120.200 0.085 0.000 2.085 510 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 510 E C 1.525 178.218 176.600 0.156 0.000 0.994 510 E CA 1.653 58.172 56.400 0.198 0.000 0.801 510 E CB -0.104 29.817 29.700 0.368 0.000 0.743 510 E HN 0.379 nan 8.360 nan 0.000 0.453 511 D N 0.495 120.942 120.400 0.079 0.000 2.104 511 D HA -0.152 4.488 4.640 -0.000 0.000 0.194 511 D C 1.872 178.178 176.300 0.011 0.000 0.994 511 D CA 1.179 55.200 54.000 0.036 0.000 0.830 511 D CB -0.015 40.781 40.800 -0.007 0.000 0.959 511 D HN 0.223 nan 8.370 nan 0.000 0.452 512 K N 0.214 120.601 120.400 -0.021 0.000 2.097 512 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 512 K C 2.181 178.801 176.600 0.033 0.000 1.049 512 K CA 0.589 56.869 56.287 -0.012 0.000 0.933 512 K CB 0.071 32.535 32.500 -0.060 0.000 0.717 512 K HN 0.030 nan 8.250 nan 0.000 0.442 513 V N 1.137 121.082 119.914 0.052 0.000 2.283 513 V HA -0.206 3.914 4.120 -0.000 0.000 0.243 513 V C 2.086 178.198 176.094 0.031 0.000 1.039 513 V CA 1.389 63.724 62.300 0.059 0.000 1.016 513 V CB -0.334 31.549 31.823 0.100 0.000 0.650 513 V HN 0.156 nan 8.190 nan 0.000 0.449 514 L N 0.751 121.999 121.223 0.042 0.000 2.093 514 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 514 L C 2.758 179.609 176.870 -0.032 0.000 1.085 514 L CA 2.527 57.373 54.840 0.011 0.000 0.755 514 L CB -1.429 40.667 42.059 0.062 0.000 0.904 514 L HN 0.613 nan 8.230 nan 0.000 0.435 515 T N -4.721 109.808 114.554 -0.041 0.000 2.737 515 T HA -0.120 4.230 4.350 -0.000 0.000 0.265 515 T C 2.080 176.660 174.700 -0.199 0.000 1.038 515 T CA 1.397 63.430 62.100 -0.112 0.000 1.144 515 T CB -0.621 68.192 68.868 -0.091 0.000 0.866 515 T HN 0.161 nan 8.240 nan 0.000 0.434 516 S N 1.406 117.048 115.700 -0.097 0.000 2.368 516 S HA -0.022 4.448 4.470 -0.000 0.000 0.225 516 S C 2.100 176.659 174.600 -0.068 0.000 1.030 516 S CA 0.986 59.161 58.200 -0.041 0.000 0.999 516 S CB -0.274 63.016 63.200 0.150 0.000 0.844 516 S HN 0.499 nan 8.310 nan 0.000 0.459 517 K N 0.396 120.769 120.400 -0.044 0.000 2.148 517 K HA -0.036 4.284 4.320 -0.000 0.000 0.204 517 K C 2.247 178.799 176.600 -0.081 0.000 1.050 517 K CA 1.033 57.295 56.287 -0.041 0.000 0.942 517 K CB -0.367 32.108 32.500 -0.041 0.000 0.724 517 K HN 0.425 nan 8.250 nan 0.000 0.446 518 G N 1.114 109.841 108.800 -0.122 0.000 2.408 518 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.215 518 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.215 518 G C 1.351 176.133 174.900 -0.196 0.000 1.156 518 G CA 0.382 45.404 45.100 -0.131 0.000 0.793 518 G HN 0.175 nan 8.290 nan 0.000 0.535 519 K N 0.559 120.745 120.400 -0.357 0.000 2.097 519 K HA 0.139 4.459 4.320 -0.000 0.000 0.205 519 K C 2.841 179.247 176.600 -0.324 0.000 1.050 519 K CA 0.989 56.952 56.287 -0.541 0.000 0.938 519 K CB -0.160 31.537 32.500 -1.338 0.000 0.718 519 K HN 0.237 nan 8.250 nan 0.000 0.442 520 A N 0.782 123.490 122.820 -0.187 0.000 1.969 520 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 520 A C 2.048 179.638 177.584 0.011 0.000 1.169 520 A CA 1.115 53.161 52.037 0.016 0.000 0.635 520 A CB -0.378 18.672 19.000 0.082 0.000 0.810 520 A HN 0.246 nan 8.150 nan 0.000 0.445 521 L N -0.689 120.516 121.223 -0.030 0.000 2.095 521 L HA 0.117 4.457 4.340 -0.000 0.000 0.204 521 L C 2.626 179.490 176.870 -0.010 0.000 1.080 521 L CA 1.780 56.609 54.840 -0.018 0.000 0.759 521 L CB -0.484 41.555 42.059 -0.032 0.000 0.914 521 L HN 0.291 nan 8.230 nan 0.000 0.439 522 A N -0.861 121.940 122.820 -0.031 0.000 2.019 522 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 522 A C 2.138 179.737 177.584 0.025 0.000 1.164 522 A CA 1.822 53.851 52.037 -0.014 0.000 0.644 522 A CB -0.701 18.273 19.000 -0.044 0.000 0.805 522 A HN 0.441 nan 8.150 nan 0.000 0.449 523 L N -0.555 120.691 121.223 0.038 0.000 2.249 523 L HA 0.079 4.419 4.340 -0.000 0.000 0.207 523 L C 2.082 179.020 176.870 0.114 0.000 1.090 523 L CA 1.606 56.500 54.840 0.089 0.000 0.802 523 L CB -0.481 41.656 42.059 0.131 0.000 0.947 523 L HN 0.445 nan 8.230 nan 0.000 0.453 524 E N -0.411 119.846 120.200 0.096 0.000 2.051 524 E HA -0.253 4.097 4.350 -0.000 0.000 0.192 524 E C 2.055 178.730 176.600 0.125 0.000 0.991 524 E CA 1.355 57.818 56.400 0.105 0.000 0.799 524 E CB 0.003 29.737 29.700 0.057 0.000 0.748 524 E HN 0.449 nan 8.360 nan 0.000 0.449 525 K N 0.424 120.878 120.400 0.090 0.000 2.032 525 K HA -0.161 4.159 4.320 -0.000 0.000 0.209 525 K C 2.311 179.015 176.600 0.173 0.000 1.048 525 K CA 1.098 57.454 56.287 0.114 0.000 0.927 525 K CB -0.006 32.532 32.500 0.064 0.000 0.712 525 K HN 0.057 nan 8.250 nan 0.000 0.441 526 Q N 0.571 120.453 119.800 0.135 0.000 2.119 526 Q HA -0.073 4.266 4.340 -0.000 0.000 0.201 526 Q C 2.222 178.318 176.000 0.159 0.000 0.972 526 Q CA 1.094 56.977 55.803 0.134 0.000 0.847 526 Q CB -0.051 28.747 28.738 0.100 0.000 0.903 526 Q HN 0.377 nan 8.270 nan 0.000 0.433 527 L N -0.634 120.697 121.223 0.180 0.000 2.201 527 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 527 L C 2.272 179.254 176.870 0.186 0.000 1.105 527 L CA 0.952 55.920 54.840 0.214 0.000 0.775 527 L CB -0.408 41.819 42.059 0.280 0.000 0.913 527 L HN 0.194 nan 8.230 nan 0.000 0.440 528 Y N 0.756 121.093 120.300 0.062 0.000 2.206 528 Y HA -0.157 4.393 4.550 -0.000 0.000 0.292 528 Y C 2.590 178.521 175.900 0.052 0.000 1.123 528 Y CA 1.248 59.349 58.100 0.001 0.000 1.142 528 Y CB 0.174 38.641 38.460 0.011 0.000 1.006 528 Y HN 0.064 nan 8.280 nan 0.000 0.518 529 E N 0.537 120.894 120.200 0.261 0.000 2.204 529 E HA -0.245 4.104 4.350 -0.000 0.000 0.195 529 E C 1.939 178.642 176.600 0.172 0.000 0.990 529 E CA 1.286 57.859 56.400 0.289 0.000 0.821 529 E CB -0.246 29.594 29.700 0.234 0.000 0.750 529 E HN 0.682 nan 8.360 nan 0.000 0.477 530 E N 0.646 120.908 120.200 0.103 0.000 2.208 530 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 530 E C 2.162 178.777 176.600 0.025 0.000 0.988 530 E CA 0.199 56.649 56.400 0.084 0.000 0.828 530 E CB 0.068 29.833 29.700 0.109 0.000 0.763 530 E HN 0.231 nan 8.360 nan 0.000 0.478 531 L N -0.021 121.137 121.223 -0.108 0.000 2.083 531 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 531 L C 2.351 179.083 176.870 -0.230 0.000 1.083 531 L CA 0.946 55.642 54.840 -0.240 0.000 0.752 531 L CB -0.486 41.274 42.059 -0.499 0.000 0.899 531 L HN 0.137 nan 8.230 nan 0.000 0.433 532 F N 0.759 120.617 119.950 -0.152 0.000 2.171 532 F HA -0.232 4.295 4.527 -0.000 0.000 0.300 532 F C 2.287 178.066 175.800 -0.035 0.000 1.090 532 F CA 1.364 59.303 58.000 -0.102 0.000 1.293 532 F CB -0.605 38.337 39.000 -0.097 0.000 1.013 532 F HN 0.157 nan 8.300 nan 0.000 0.486 533 D N -0.021 120.475 120.400 0.160 0.000 2.178 533 D HA -0.128 4.511 4.640 -0.000 0.000 0.201 533 D C 2.359 178.715 176.300 0.094 0.000 0.980 533 D CA 1.095 55.160 54.000 0.108 0.000 0.842 533 D CB -0.448 40.404 40.800 0.087 0.000 0.948 533 D HN 0.265 nan 8.370 nan 0.000 0.472 534 L N -0.348 120.924 121.223 0.082 0.000 2.209 534 L HA -0.043 4.296 4.340 -0.000 0.000 0.207 534 L C 1.880 178.839 176.870 0.149 0.000 1.094 534 L CA 0.184 55.084 54.840 0.101 0.000 0.790 534 L CB 0.024 42.125 42.059 0.070 0.000 0.932 534 L HN 0.019 nan 8.230 nan 0.000 0.447 535 L N -0.624 120.661 121.223 0.104 0.000 2.127 535 L HA -0.070 4.270 4.340 -0.000 0.000 0.203 535 L C 2.242 179.224 176.870 0.187 0.000 1.080 535 L CA 1.522 56.435 54.840 0.123 0.000 0.768 535 L CB -0.731 41.350 42.059 0.036 0.000 0.924 535 L HN 0.144 nan 8.230 nan 0.000 0.444 536 L N -0.318 120.991 121.223 0.144 0.000 2.201 536 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 536 L C -0.278 176.633 176.870 0.067 0.000 1.105 536 L CA 0.750 55.654 54.840 0.107 0.000 0.775 536 L CB -1.240 40.874 42.059 0.091 0.000 0.913 536 L HN 0.250 nan 8.230 nan 0.000 0.440 537 P HA -0.144 nan 4.420 nan 0.000 0.220 537 P C 0.565 177.732 177.300 -0.220 0.000 1.148 537 P CA 1.412 64.434 63.100 -0.128 0.000 0.803 537 P CB -0.020 31.536 31.700 -0.240 0.000 0.782 538 H N -2.402 116.705 119.070 0.063 0.000 2.517 538 H HA 0.169 4.725 4.556 -0.000 0.000 0.282 538 H C 1.521 176.890 175.328 0.068 0.000 1.023 538 H CA -0.317 55.785 56.048 0.089 0.000 1.169 538 H CB -0.453 29.374 29.762 0.108 0.000 1.454 538 H HN -0.020 nan 8.280 nan 0.000 0.556 539 L N 1.139 122.438 121.223 0.126 0.000 2.012 539 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 539 L C 2.319 179.251 176.870 0.104 0.000 1.073 539 L CA 1.867 56.762 54.840 0.093 0.000 0.748 539 L CB -0.306 41.799 42.059 0.078 0.000 0.891 539 L HN 0.350 nan 8.230 nan 0.000 0.431 540 E N -0.616 119.649 120.200 0.109 0.000 2.070 540 E HA -0.307 4.043 4.350 -0.000 0.000 0.197 540 E C 2.052 178.738 176.600 0.143 0.000 1.004 540 E CA 1.520 57.989 56.400 0.116 0.000 0.805 540 E CB -0.253 29.507 29.700 0.101 0.000 0.744 540 E HN 0.639 nan 8.360 nan 0.000 0.451 541 A N 0.644 123.579 122.820 0.192 0.000 1.930 541 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 541 A C 2.200 179.981 177.584 0.328 0.000 1.175 541 A CA 1.086 53.298 52.037 0.292 0.000 0.627 541 A CB -0.563 18.695 19.000 0.430 0.000 0.815 541 A HN 0.309 nan 8.150 nan 0.000 0.443 542 L N -0.995 120.316 121.223 0.146 0.000 2.046 542 L HA -0.252 4.088 4.340 -0.000 0.000 0.208 542 L C 2.871 179.774 176.870 0.056 0.000 1.077 542 L CA 1.625 56.435 54.840 -0.049 0.000 0.747 542 L CB -0.564 41.411 42.059 -0.140 0.000 0.896 542 L HN 0.460 nan 8.230 nan 0.000 0.432 543 Q N -0.592 119.257 119.800 0.082 0.000 2.124 543 Q HA -0.248 4.092 4.340 -0.000 0.000 0.202 543 Q C 2.304 178.366 176.000 0.102 0.000 0.977 543 Q CA 1.396 57.251 55.803 0.086 0.000 0.850 543 Q CB -0.041 28.756 28.738 0.099 0.000 0.901 543 Q HN 0.541 nan 8.270 nan 0.000 0.429 544 Q N -0.461 119.416 119.800 0.130 0.000 2.084 544 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 544 Q C 2.250 178.335 176.000 0.141 0.000 0.978 544 Q CA 1.438 57.319 55.803 0.130 0.000 0.844 544 Q CB -0.133 28.688 28.738 0.138 0.000 0.898 544 Q HN 0.230 nan 8.270 nan 0.000 0.426 545 S N 0.357 116.176 115.700 0.198 0.000 2.351 545 S HA -0.214 4.256 4.470 -0.000 0.000 0.220 545 S C 2.064 176.741 174.600 0.129 0.000 1.035 545 S CA 1.366 59.696 58.200 0.217 0.000 1.031 545 S CB -0.343 63.093 63.200 0.392 0.000 0.928 545 S HN 0.454 nan 8.310 nan 0.000 0.433 546 A N 0.563 123.437 122.820 0.090 0.000 1.948 546 A HA -0.103 4.217 4.320 -0.000 0.000 0.220 546 A C 2.473 180.082 177.584 0.041 0.000 1.177 546 A CA 2.396 54.458 52.037 0.042 0.000 0.636 546 A CB -1.373 17.637 19.000 0.015 0.000 0.815 546 A HN 0.688 nan 8.150 nan 0.000 0.449 547 S N -0.641 115.095 115.700 0.060 0.000 2.387 547 S HA 0.076 4.546 4.470 -0.000 0.000 0.226 547 S C 2.095 176.730 174.600 0.059 0.000 1.026 547 S CA 1.394 59.630 58.200 0.059 0.000 0.972 547 S CB -0.408 62.838 63.200 0.077 0.000 0.814 547 S HN 0.813 nan 8.310 nan 0.000 0.477 548 A N 1.282 124.143 122.820 0.068 0.000 1.897 548 A HA 0.226 4.546 4.320 -0.000 0.000 0.215 548 A C 2.187 179.796 177.584 0.042 0.000 1.181 548 A CA 1.000 53.076 52.037 0.064 0.000 0.620 548 A CB -0.738 18.304 19.000 0.071 0.000 0.821 548 A HN 0.551 nan 8.150 nan 0.000 0.443 549 L N -0.657 120.589 121.223 0.039 0.000 2.131 549 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 549 L C 3.019 179.882 176.870 -0.011 0.000 1.092 549 L CA 1.005 55.855 54.840 0.017 0.000 0.759 549 L CB -0.366 41.704 42.059 0.019 0.000 0.903 549 L HN 0.451 nan 8.230 nan 0.000 0.435 550 A N -0.469 122.341 122.820 -0.016 0.000 1.897 550 A HA -0.231 4.089 4.320 -0.000 0.000 0.215 550 A C 2.243 179.769 177.584 -0.096 0.000 1.181 550 A CA 1.559 53.562 52.037 -0.056 0.000 0.620 550 A CB -0.444 18.527 19.000 -0.049 0.000 0.821 550 A HN 0.425 nan 8.150 nan 0.000 0.443 551 E N -0.643 119.528 120.200 -0.048 0.000 2.118 551 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 551 E C 1.863 178.441 176.600 -0.037 0.000 0.992 551 E CA 1.282 57.659 56.400 -0.039 0.000 0.804 551 E CB -0.166 29.598 29.700 0.107 0.000 0.741 551 E HN 0.474 nan 8.360 nan 0.000 0.458 552 L N 1.037 122.252 121.223 -0.014 0.000 2.072 552 L HA -0.146 4.194 4.340 -0.000 0.000 0.205 552 L C 2.007 178.857 176.870 -0.033 0.000 1.079 552 L CA 1.888 56.724 54.840 -0.007 0.000 0.752 552 L CB -0.321 41.736 42.059 -0.003 0.000 0.906 552 L HN 0.147 nan 8.230 nan 0.000 0.436 553 D N -0.884 119.483 120.400 -0.054 0.000 2.116 553 D HA -0.193 4.447 4.640 -0.000 0.000 0.193 553 D C 2.095 178.339 176.300 -0.092 0.000 0.998 553 D CA 1.798 55.758 54.000 -0.067 0.000 0.836 553 D CB -0.040 40.714 40.800 -0.076 0.000 0.951 553 D HN 0.209 nan 8.370 nan 0.000 0.449 554 V N 0.461 120.280 119.914 -0.158 0.000 2.307 554 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 554 V C 2.755 178.793 176.094 -0.092 0.000 1.045 554 V CA 1.259 63.425 62.300 -0.224 0.000 1.024 554 V CB -0.468 31.012 31.823 -0.572 0.000 0.651 554 V HN 0.267 nan 8.190 nan 0.000 0.449 555 L N -0.577 120.631 121.223 -0.024 0.000 2.072 555 L HA -0.085 4.255 4.340 -0.000 0.000 0.205 555 L C 2.484 179.366 176.870 0.019 0.000 1.079 555 L CA 0.831 55.708 54.840 0.062 0.000 0.752 555 L CB -0.556 41.566 42.059 0.106 0.000 0.906 555 L HN 0.176 nan 8.230 nan 0.000 0.436 556 V N 0.730 120.642 119.914 -0.003 0.000 2.407 556 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 556 V C 2.272 178.355 176.094 -0.020 0.000 1.055 556 V CA 2.218 64.513 62.300 -0.009 0.000 1.049 556 V CB -0.756 31.063 31.823 -0.008 0.000 0.662 556 V HN 0.585 nan 8.190 nan 0.000 0.455 557 N N 0.360 119.044 118.700 -0.026 0.000 2.106 557 N HA -0.142 4.598 4.740 -0.000 0.000 0.188 557 N C 1.720 177.218 175.510 -0.020 0.000 1.029 557 N CA 1.680 54.713 53.050 -0.029 0.000 0.848 557 N CB -0.332 38.130 38.487 -0.040 0.000 1.007 557 N HN 0.422 nan 8.380 nan 0.000 0.423 558 L N -0.197 121.027 121.223 0.002 0.000 2.131 558 L HA -0.047 4.293 4.340 -0.000 0.000 0.210 558 L C 2.514 179.360 176.870 -0.039 0.000 1.092 558 L CA 1.095 55.951 54.840 0.027 0.000 0.759 558 L CB -0.612 41.507 42.059 0.099 0.000 0.903 558 L HN 0.325 nan 8.230 nan 0.000 0.435 559 A N -0.395 122.386 122.820 -0.064 0.000 1.902 559 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 559 A C 2.343 179.870 177.584 -0.095 0.000 1.181 559 A CA 1.729 53.691 52.037 -0.125 0.000 0.623 559 A CB -0.438 18.511 19.000 -0.086 0.000 0.818 559 A HN 0.400 nan 8.150 nan 0.000 0.443 560 E N -0.075 120.090 120.200 -0.057 0.000 2.152 560 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 560 E C 2.046 178.614 176.600 -0.054 0.000 0.983 560 E CA 0.619 56.999 56.400 -0.033 0.000 0.818 560 E CB -0.231 29.452 29.700 -0.027 0.000 0.758 560 E HN 0.396 nan 8.360 nan 0.000 0.467 561 R N 0.268 120.714 120.500 -0.091 0.000 2.092 561 R HA -0.012 4.328 4.340 -0.000 0.000 0.231 561 R C 2.271 178.354 176.300 -0.363 0.000 1.119 561 R CA 1.101 57.093 56.100 -0.180 0.000 0.970 561 R CB -0.808 29.433 30.300 -0.099 0.000 0.864 561 R HN 0.212 nan 8.270 nan 0.000 0.440 562 A N -0.063 122.621 122.820 -0.226 0.000 1.898 562 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 562 A C 2.053 179.576 177.584 -0.101 0.000 1.181 562 A CA 1.108 53.037 52.037 -0.180 0.000 0.620 562 A CB -0.655 18.246 19.000 -0.165 0.000 0.819 562 A HN 0.333 nan 8.150 nan 0.000 0.442 563 Y N 0.950 121.143 120.300 -0.178 0.000 2.184 563 Y HA -0.115 4.435 4.550 -0.000 0.000 0.290 563 Y C 2.780 178.609 175.900 -0.118 0.000 1.129 563 Y CA 2.076 60.111 58.100 -0.108 0.000 1.144 563 Y CB -0.561 37.844 38.460 -0.091 0.000 0.995 563 Y HN 0.317 nan 8.280 nan 0.000 0.513 564 T N 0.617 115.127 114.554 -0.073 0.000 2.737 564 T HA -0.112 4.238 4.350 -0.000 0.000 0.265 564 T C 1.557 176.134 174.700 -0.205 0.000 1.038 564 T CA 1.671 63.691 62.100 -0.133 0.000 1.144 564 T CB -0.422 68.393 68.868 -0.089 0.000 0.866 564 T HN 0.219 nan 8.240 nan 0.000 0.434 565 L N 1.232 122.254 121.223 -0.334 0.000 2.653 565 L HA 0.274 4.614 4.340 -0.000 0.000 0.232 565 L C 0.053 176.806 176.870 -0.196 0.000 1.169 565 L CA -0.223 54.400 54.840 -0.361 0.000 0.951 565 L CB -0.618 41.045 42.059 -0.659 0.000 1.181 565 L HN 0.240 nan 8.230 nan 0.000 0.460 566 N N 0.174 118.794 118.700 -0.133 0.000 2.696 566 N HA -0.215 4.525 4.740 -0.000 0.000 0.256 566 N C -0.720 174.946 175.510 0.261 0.000 1.031 566 N CA 0.796 53.860 53.050 0.023 0.000 0.730 566 N CB -0.900 37.601 38.487 0.023 0.000 0.894 566 N HN 0.239 nan 8.380 nan 0.000 0.544 567 Y N 0.015 120.361 120.300 0.076 0.000 2.458 567 Y HA 0.578 5.128 4.550 -0.000 0.000 0.322 567 Y C 1.352 177.359 175.900 0.179 0.000 1.259 567 Y CA -0.706 57.470 58.100 0.127 0.000 1.302 567 Y CB 0.983 39.553 38.460 0.183 0.000 1.314 567 Y HN -0.010 nan 8.280 nan 0.000 0.509 568 T N -0.179 114.528 114.554 0.254 0.000 2.906 568 T HA 0.335 4.685 4.350 -0.000 0.000 0.295 568 T C -1.302 173.209 174.700 -0.314 0.000 1.075 568 T CA -0.489 61.628 62.100 0.028 0.000 1.005 568 T CB 0.839 69.696 68.868 -0.018 0.000 1.136 568 T HN 0.766 nan 8.240 nan 0.000 0.498 569 C N 5.996 124.926 119.300 -0.617 0.000 2.373 569 C HA 0.668 5.127 4.460 -0.000 0.000 0.354 569 C C -2.115 172.575 174.990 -0.499 0.000 1.249 569 C CA -1.718 56.748 59.018 -0.920 0.000 1.784 569 C CB -0.299 26.884 27.740 -0.927 0.000 2.408 569 C HN 0.630 nan 8.230 nan 0.000 0.542 570 P HA 0.291 nan 4.420 nan 0.000 0.278 570 P C -0.458 176.442 177.300 -0.667 0.000 1.238 570 P CA 0.246 63.060 63.100 -0.477 0.000 0.794 570 P CB 0.967 32.389 31.700 -0.463 0.000 0.955 571 T N -0.590 113.627 114.554 -0.562 0.000 2.925 571 T HA 0.640 4.990 4.350 -0.000 0.000 0.285 571 T C -0.379 173.961 174.700 -0.601 0.000 1.021 571 T CA -0.538 61.244 62.100 -0.530 0.000 1.042 571 T CB 0.482 69.206 68.868 -0.239 0.000 1.037 571 T HN 0.076 nan 8.240 nan 0.000 0.481 572 F N 1.597 121.505 119.950 -0.069 0.000 2.436 572 F HA 0.598 5.125 4.527 -0.000 0.000 0.340 572 F C 0.493 176.291 175.800 -0.004 0.000 1.113 572 F CA -1.613 56.361 58.000 -0.042 0.000 1.022 572 F CB 0.930 39.898 39.000 -0.054 0.000 1.128 572 F HN 0.641 nan 8.300 nan 0.000 0.466 573 I N -1.468 119.218 120.570 0.194 0.000 3.076 573 I HA 0.592 4.762 4.170 -0.000 0.000 0.313 573 I C 0.060 176.265 176.117 0.145 0.000 1.053 573 I CA -0.718 60.661 61.300 0.132 0.000 1.048 573 I CB 1.112 39.165 38.000 0.087 0.000 1.264 573 I HN 0.276 nan 8.210 nan 0.000 0.498 574 D N 0.451 120.915 120.400 0.107 0.000 2.346 574 D HA 0.169 4.809 4.640 -0.000 0.000 0.206 574 D C -0.083 176.289 176.300 0.120 0.000 1.001 574 D CA 1.006 55.065 54.000 0.098 0.000 0.871 574 D CB 0.274 41.117 40.800 0.071 0.000 0.943 574 D HN 0.421 nan 8.370 nan 0.000 0.518 575 K N 0.031 120.505 120.400 0.123 0.000 2.340 575 K HA 0.439 4.759 4.320 -0.000 0.000 0.244 575 K C -2.679 174.005 176.600 0.139 0.000 0.973 575 K CA -2.237 54.131 56.287 0.135 0.000 0.828 575 K CB 2.154 34.704 32.500 0.083 0.000 1.226 575 K HN -0.284 nan 8.250 nan 0.000 0.437 576 P HA 0.029 nan 4.420 nan 0.000 0.263 576 P C -0.774 176.572 177.300 0.075 0.000 1.175 576 P CA 0.230 63.396 63.100 0.110 0.000 0.761 576 P CB 0.508 32.221 31.700 0.022 0.000 0.794 577 G N 2.057 110.909 108.800 0.086 0.000 2.429 577 G HA2 0.509 4.469 3.960 -0.000 0.000 0.300 577 G HA3 0.509 4.469 3.960 -0.000 0.000 0.300 577 G C -1.866 173.075 174.900 0.069 0.000 1.598 577 G CA -0.571 44.568 45.100 0.064 0.000 0.863 577 G HN 0.372 nan 8.290 nan 0.000 0.614 578 I N 1.052 121.649 120.570 0.046 0.000 2.529 578 I HA 0.413 4.582 4.170 -0.000 0.000 0.284 578 I C -0.303 175.825 176.117 0.019 0.000 1.088 578 I CA -0.746 60.574 61.300 0.033 0.000 1.062 578 I CB 2.269 40.285 38.000 0.026 0.000 1.218 578 I HN 0.265 nan 8.210 nan 0.000 0.442 579 R N 6.480 126.985 120.500 0.009 0.000 2.246 579 R HA 0.681 5.021 4.340 -0.000 0.000 0.332 579 R C -0.886 175.410 176.300 -0.007 0.000 0.974 579 R CA -0.420 55.683 56.100 0.006 0.000 0.837 579 R CB 1.660 31.962 30.300 0.002 0.000 1.145 579 R HN 0.541 nan 8.270 nan 0.000 0.467 580 I N 1.855 122.427 120.570 0.005 0.000 2.404 580 I HA 0.309 4.479 4.170 -0.000 0.000 0.293 580 I C -0.102 176.030 176.117 0.025 0.000 0.992 580 I CA -0.583 60.718 61.300 0.002 0.000 1.149 580 I CB 2.379 40.379 38.000 -0.000 0.000 1.315 580 I HN 0.435 nan 8.210 nan 0.000 0.446 581 T N 4.747 119.311 114.554 0.017 0.000 2.770 581 T HA 0.235 4.585 4.350 -0.000 0.000 0.283 581 T C -0.205 174.521 174.700 0.042 0.000 0.988 581 T CA -0.440 61.679 62.100 0.031 0.000 0.957 581 T CB 0.984 69.862 68.868 0.017 0.000 0.930 581 T HN 0.555 nan 8.240 nan 0.000 0.443 582 E N 0.868 121.108 120.200 0.066 0.000 2.252 582 E HA -0.135 4.215 4.350 -0.000 0.000 0.218 582 E C 0.522 177.181 176.600 0.098 0.000 1.253 582 E CA 0.689 57.140 56.400 0.085 0.000 0.705 582 E CB -1.345 28.395 29.700 0.068 0.000 1.172 582 E HN 0.922 nan 8.360 nan 0.000 0.369 583 G N 0.318 109.182 108.800 0.108 0.000 2.476 583 G HA2 0.533 4.493 3.960 -0.000 0.000 0.269 583 G HA3 0.533 4.493 3.960 -0.000 0.000 0.269 583 G C 0.114 175.124 174.900 0.183 0.000 1.195 583 G CA -0.533 44.622 45.100 0.092 0.000 0.843 583 G HN 0.066 nan 8.290 nan 0.000 0.545 584 R N -0.954 119.617 120.500 0.118 0.000 2.867 584 R HA 0.362 4.701 4.340 -0.000 0.000 0.268 584 R C -0.888 175.411 176.300 -0.001 0.000 1.014 584 R CA -1.039 55.138 56.100 0.129 0.000 0.946 584 R CB 1.255 31.515 30.300 -0.066 0.000 1.208 584 R HN 0.618 nan 8.270 nan 0.000 0.477 585 H N 3.883 122.792 119.070 -0.269 0.000 2.723 585 H HA 0.203 4.758 4.556 -0.000 0.000 0.294 585 H C -1.759 173.380 175.328 -0.314 0.000 1.079 585 H CA -2.581 53.342 56.048 -0.210 0.000 1.411 585 H CB 1.215 30.950 29.762 -0.046 0.000 1.439 585 H HN 0.323 nan 8.280 nan 0.000 0.474 586 P HA -0.130 nan 4.420 nan 0.000 0.223 586 P C 1.087 178.370 177.300 -0.029 0.000 1.151 586 P CA 0.610 63.734 63.100 0.040 0.000 0.787 586 P CB 0.757 32.500 31.700 0.072 0.000 0.788 587 V N -0.161 119.680 119.914 -0.121 0.000 2.426 587 V HA -0.097 4.023 4.120 -0.000 0.000 0.242 587 V C 2.806 178.670 176.094 -0.384 0.000 1.036 587 V CA 1.086 63.253 62.300 -0.222 0.000 1.044 587 V CB -1.045 30.700 31.823 -0.130 0.000 0.688 587 V HN -0.104 nan 8.190 nan 0.000 0.462 588 V N 1.620 121.073 119.914 -0.769 0.000 2.407 588 V HA -0.278 3.841 4.120 -0.000 0.000 0.248 588 V C 2.574 178.507 176.094 -0.268 0.000 1.055 588 V CA 2.383 64.427 62.300 -0.427 0.000 1.049 588 V CB -0.771 30.882 31.823 -0.283 0.000 0.662 588 V HN 0.871 nan 8.190 nan 0.000 0.455 589 E N -0.458 119.463 120.200 -0.465 0.000 2.347 589 E HA -0.217 4.133 4.350 -0.000 0.000 0.196 589 E C 1.893 178.415 176.600 -0.129 0.000 1.008 589 E CA 0.870 57.058 56.400 -0.353 0.000 0.852 589 E CB -0.116 29.255 29.700 -0.548 0.000 0.783 589 E HN 0.534 nan 8.360 nan 0.000 0.505 590 Q N 0.277 120.008 119.800 -0.115 0.000 2.376 590 Q HA 0.085 4.425 4.340 -0.000 0.000 0.206 590 Q C 2.189 178.165 176.000 -0.040 0.000 0.921 590 Q CA 0.537 56.307 55.803 -0.056 0.000 0.911 590 Q CB 0.716 29.430 28.738 -0.042 0.000 1.032 590 Q HN 0.258 nan 8.270 nan 0.000 0.510 591 V N 0.519 120.402 119.914 -0.051 0.000 2.374 591 V HA 0.012 4.132 4.120 -0.000 0.000 0.241 591 V C 1.142 177.232 176.094 -0.007 0.000 1.034 591 V CA 0.717 62.999 62.300 -0.030 0.000 1.037 591 V CB 0.012 31.810 31.823 -0.041 0.000 0.682 591 V HN 0.148 nan 8.190 nan 0.000 0.463 592 L N 1.404 122.630 121.223 0.006 0.000 2.290 592 L HA 0.298 4.638 4.340 -0.000 0.000 0.284 592 L C 0.697 177.586 176.870 0.032 0.000 1.078 592 L CA 0.042 54.898 54.840 0.027 0.000 0.815 592 L CB 0.515 42.604 42.059 0.050 0.000 1.162 592 L HN 0.245 nan 8.230 nan 0.000 0.435 593 N N 0.927 119.640 118.700 0.022 0.000 2.515 593 N HA -0.048 4.692 4.740 -0.000 0.000 0.191 593 N C -0.109 175.412 175.510 0.018 0.000 1.182 593 N CA 0.029 53.090 53.050 0.018 0.000 0.879 593 N CB 0.121 38.615 38.487 0.011 0.000 0.984 593 N HN 0.500 nan 8.380 nan 0.000 0.453 594 E N 1.756 121.967 120.200 0.019 0.000 2.301 594 E HA 0.181 4.531 4.350 -0.000 0.000 0.275 594 E C -2.226 174.383 176.600 0.015 0.000 1.030 594 E CA -2.464 53.936 56.400 0.000 0.000 0.852 594 E CB 0.596 30.282 29.700 -0.024 0.000 1.060 594 E HN 0.044 nan 8.360 nan 0.000 0.401 595 P HA -0.049 nan 4.420 nan 0.000 0.264 595 P C -0.728 176.588 177.300 0.026 0.000 1.193 595 P CA 0.149 63.263 63.100 0.023 0.000 0.763 595 P CB 0.136 31.829 31.700 -0.010 0.000 0.810 596 F N 4.484 124.418 119.950 -0.027 0.000 2.456 596 F HA 0.216 4.743 4.527 -0.000 0.000 0.358 596 F C 0.453 176.253 175.800 0.001 0.000 1.095 596 F CA -0.551 57.440 58.000 -0.014 0.000 1.216 596 F CB 0.433 39.443 39.000 0.017 0.000 1.125 596 F HN 0.145 nan 8.300 nan 0.000 0.549 597 I N 6.400 126.576 120.570 -0.656 0.000 2.315 597 I HA 0.341 4.511 4.170 -0.000 0.000 0.291 597 I C 0.480 176.454 176.117 -0.239 0.000 1.006 597 I CA -0.546 60.561 61.300 -0.322 0.000 1.265 597 I CB 0.215 38.060 38.000 -0.257 0.000 1.387 597 I HN 0.644 nan 8.210 nan 0.000 0.475 598 A N 7.224 130.080 122.820 0.061 0.000 2.313 598 A HA 0.619 4.939 4.320 -0.000 0.000 0.261 598 A C 0.041 177.700 177.584 0.125 0.000 1.090 598 A CA -0.378 51.773 52.037 0.191 0.000 0.807 598 A CB 0.503 19.617 19.000 0.190 0.000 1.055 598 A HN 0.807 nan 8.150 nan 0.000 0.492 599 N N -0.046 118.766 118.700 0.187 0.000 2.405 599 N HA 0.511 5.251 4.740 -0.000 0.000 0.274 599 N C -3.135 172.502 175.510 0.212 0.000 1.170 599 N CA -0.803 52.356 53.050 0.181 0.000 0.848 599 N CB 2.610 41.253 38.487 0.259 0.000 1.629 599 N HN 0.440 nan 8.380 nan 0.000 0.481 600 P HA 0.451 nan 4.420 nan 0.000 0.279 600 P C -1.044 176.388 177.300 0.220 0.000 1.276 600 P CA -0.518 62.669 63.100 0.144 0.000 0.801 600 P CB 1.394 33.147 31.700 0.089 0.000 1.127 601 L N 0.653 121.961 121.223 0.142 0.000 2.549 601 L HA 0.544 4.884 4.340 -0.000 0.000 0.259 601 L C -1.741 175.175 176.870 0.077 0.000 0.934 601 L CA -0.349 54.575 54.840 0.139 0.000 0.865 601 L CB 1.777 43.869 42.059 0.056 0.000 1.352 601 L HN 0.333 nan 8.230 nan 0.000 0.410 602 N N 4.579 123.325 118.700 0.077 0.000 2.690 602 N HA 0.483 5.223 4.740 -0.000 0.000 0.255 602 N C -2.075 173.461 175.510 0.044 0.000 1.195 602 N CA -0.217 52.863 53.050 0.049 0.000 0.790 602 N CB 0.562 39.075 38.487 0.044 0.000 1.216 602 N HN 0.623 nan 8.380 nan 0.000 0.528 603 L N 1.675 122.920 121.223 0.036 0.000 2.307 603 L HA 0.646 4.986 4.340 -0.000 0.000 0.284 603 L C 0.387 177.272 176.870 0.024 0.000 1.023 603 L CA -0.557 54.301 54.840 0.030 0.000 0.810 603 L CB 1.495 43.571 42.059 0.030 0.000 1.231 603 L HN 0.558 nan 8.230 nan 0.000 0.423 604 S N 1.961 117.670 115.700 0.016 0.000 2.806 604 S HA 0.610 5.080 4.470 -0.000 0.000 0.306 604 S C -2.492 172.107 174.600 -0.002 0.000 1.167 604 S CA -1.247 56.960 58.200 0.012 0.000 0.847 604 S CB 1.953 65.159 63.200 0.011 0.000 1.216 604 S HN 0.287 nan 8.310 nan 0.000 0.532 605 P HA 0.129 nan 4.420 nan 0.000 0.226 605 P C 0.788 178.074 177.300 -0.025 0.000 1.153 605 P CA 0.897 63.982 63.100 -0.025 0.000 0.777 605 P CB 0.023 31.707 31.700 -0.026 0.000 0.794 606 Q N -1.401 118.389 119.800 -0.015 0.000 2.392 606 Q HA 0.112 4.452 4.340 -0.000 0.000 0.203 606 Q C 0.918 176.908 176.000 -0.017 0.000 0.917 606 Q CA 0.405 56.198 55.803 -0.017 0.000 0.939 606 Q CB 0.162 28.895 28.738 -0.010 0.000 1.063 606 Q HN 0.036 nan 8.270 nan 0.000 0.516 607 R N -0.081 120.411 120.500 -0.013 0.000 2.684 607 R HA 0.251 4.591 4.340 -0.000 0.000 0.252 607 R C -0.031 176.265 176.300 -0.006 0.000 1.628 607 R CA -0.017 56.078 56.100 -0.009 0.000 1.622 607 R CB 0.148 30.450 30.300 0.004 0.000 1.418 607 R HN -0.003 nan 8.270 nan 0.000 0.697 608 R N 0.486 120.974 120.500 -0.021 0.000 2.153 608 R HA 0.131 4.471 4.340 -0.000 0.000 0.218 608 R C 0.706 176.999 176.300 -0.011 0.000 1.072 608 R CA 0.878 56.966 56.100 -0.021 0.000 0.990 608 R CB 0.337 30.613 30.300 -0.041 0.000 0.889 608 R HN 0.270 nan 8.270 nan 0.000 0.452 609 M N 1.076 120.665 119.600 -0.019 0.000 2.271 609 M HA 0.332 4.812 4.480 -0.000 0.000 0.285 609 M C -1.863 174.440 176.300 0.005 0.000 1.059 609 M CA -0.510 54.784 55.300 -0.011 0.000 0.940 609 M CB 1.865 34.424 32.600 -0.068 0.000 1.636 609 M HN -0.098 nan 8.290 nan 0.000 0.460 610 L N 5.952 127.209 121.223 0.058 0.000 2.287 610 L HA 0.489 4.829 4.340 -0.000 0.000 0.287 610 L C -0.465 176.471 176.870 0.111 0.000 1.022 610 L CA -0.991 53.897 54.840 0.080 0.000 0.814 610 L CB 1.457 43.592 42.059 0.126 0.000 1.217 610 L HN 0.625 nan 8.230 nan 0.000 0.420 611 I N 5.238 125.850 120.570 0.071 0.000 2.363 611 I HA 0.210 4.380 4.170 -0.000 0.000 0.292 611 I C 0.358 176.551 176.117 0.126 0.000 1.075 611 I CA 0.012 61.379 61.300 0.111 0.000 1.333 611 I CB 0.634 38.644 38.000 0.017 0.000 1.415 611 I HN 0.436 nan 8.210 nan 0.000 0.502 612 I N 6.927 127.592 120.570 0.159 0.000 2.307 612 I HA 0.264 4.434 4.170 -0.000 0.000 0.289 612 I C 0.672 176.870 176.117 0.134 0.000 1.021 612 I CA -0.330 61.048 61.300 0.130 0.000 1.224 612 I CB 1.061 39.133 38.000 0.121 0.000 1.376 612 I HN 0.536 nan 8.210 nan 0.000 0.470 613 T N 2.018 116.665 114.554 0.155 0.000 2.919 613 T HA 0.926 5.276 4.350 -0.000 0.000 0.282 613 T C 0.263 175.083 174.700 0.200 0.000 1.020 613 T CA -0.493 61.712 62.100 0.175 0.000 0.994 613 T CB 2.061 71.041 68.868 0.186 0.000 1.180 613 T HN 1.061 nan 8.240 nan 0.000 0.566 614 G N 0.670 109.598 108.800 0.213 0.000 2.592 614 G HA2 0.139 4.098 3.960 -0.000 0.000 0.684 614 G HA3 0.139 4.098 3.960 -0.000 0.000 0.684 614 G C -3.163 171.852 174.900 0.192 0.000 1.291 614 G CA -0.785 44.463 45.100 0.246 0.000 0.891 614 G HN 0.801 nan 8.290 nan 0.000 0.544 615 P HA 0.094 nan 4.420 nan 0.000 0.267 615 P C 0.430 177.724 177.300 -0.011 0.000 1.200 615 P CA -0.083 63.090 63.100 0.120 0.000 0.772 615 P CB 0.827 32.635 31.700 0.180 0.000 0.855 616 N N 2.812 121.462 118.700 -0.084 0.000 2.297 616 N HA 0.040 4.780 4.740 -0.000 0.000 0.204 616 N C 0.947 176.313 175.510 -0.240 0.000 1.036 616 N CA 0.779 53.753 53.050 -0.126 0.000 0.991 616 N CB -0.359 38.072 38.487 -0.093 0.000 1.198 616 N HN 0.245 nan 8.380 nan 0.000 0.515 617 M N -0.609 118.825 119.600 -0.277 0.000 2.682 617 M HA -0.200 4.280 4.480 -0.000 0.000 0.196 617 M C 0.968 177.148 176.300 -0.199 0.000 0.542 617 M CA 1.248 56.349 55.300 -0.333 0.000 0.593 617 M CB -2.592 29.592 32.600 -0.694 0.000 2.183 617 M HN 0.637 nan 8.290 nan 0.000 0.663 618 G N -1.834 106.885 108.800 -0.135 0.000 2.268 618 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.240 618 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.240 618 G C 0.891 175.738 174.900 -0.088 0.000 1.010 618 G CA 0.794 45.858 45.100 -0.060 0.000 0.618 618 G HN 1.096 nan 8.290 nan 0.000 0.516 619 G N 0.451 109.084 108.800 -0.278 0.000 2.433 619 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.216 619 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.216 619 G C 1.604 176.410 174.900 -0.157 0.000 1.186 619 G CA 1.743 46.565 45.100 -0.464 0.000 0.779 619 G HN 0.577 nan 8.290 nan 0.000 0.543 620 K N 0.441 120.782 120.400 -0.098 0.000 2.002 620 K HA -0.055 4.265 4.320 -0.000 0.000 0.209 620 K C 2.943 179.590 176.600 0.077 0.000 1.048 620 K CA 1.441 57.734 56.287 0.010 0.000 0.930 620 K CB -0.304 32.198 32.500 0.003 0.000 0.714 620 K HN 0.220 nan 8.250 nan 0.000 0.438 621 S N 0.422 116.142 115.700 0.034 0.000 2.400 621 S HA -0.122 4.348 4.470 -0.000 0.000 0.232 621 S C 1.950 176.600 174.600 0.084 0.000 1.025 621 S CA 1.537 59.764 58.200 0.046 0.000 0.993 621 S CB -0.231 62.983 63.200 0.025 0.000 0.808 621 S HN 0.350 nan 8.310 nan 0.000 0.478 622 T N 0.418 115.051 114.554 0.132 0.000 2.812 622 T HA -0.036 4.314 4.350 -0.000 0.000 0.264 622 T C 1.524 176.354 174.700 0.215 0.000 1.042 622 T CA 0.976 63.211 62.100 0.226 0.000 1.140 622 T CB -0.345 68.720 68.868 0.327 0.000 0.870 622 T HN 0.521 nan 8.240 nan 0.000 0.445 623 Y N 1.492 121.841 120.300 0.082 0.000 2.181 623 Y HA -0.060 4.490 4.550 -0.000 0.000 0.288 623 Y C 2.226 178.146 175.900 0.034 0.000 1.146 623 Y CA 1.288 59.429 58.100 0.069 0.000 1.164 623 Y CB -0.356 38.125 38.460 0.035 0.000 0.982 623 Y HN 0.131 nan 8.280 nan 0.000 0.515 624 M N -0.548 119.070 119.600 0.030 0.000 2.099 624 M HA -0.204 4.276 4.480 -0.000 0.000 0.262 624 M C 2.271 178.508 176.300 -0.106 0.000 1.067 624 M CA 1.762 57.023 55.300 -0.065 0.000 1.124 624 M CB -0.297 32.314 32.600 0.019 0.000 1.353 624 M HN 0.142 nan 8.290 nan 0.000 0.410 625 R N 0.398 120.847 120.500 -0.083 0.000 2.115 625 R HA -0.158 4.182 4.340 -0.000 0.000 0.230 625 R C 2.275 178.411 176.300 -0.273 0.000 1.111 625 R CA 1.462 57.470 56.100 -0.154 0.000 0.976 625 R CB -0.300 29.914 30.300 -0.144 0.000 0.870 625 R HN 0.602 nan 8.270 nan 0.000 0.445 626 Q N -0.292 119.352 119.800 -0.259 0.000 2.172 626 Q HA -0.040 4.300 4.340 -0.000 0.000 0.200 626 Q C 1.301 177.190 176.000 -0.185 0.000 0.964 626 Q CA 1.489 57.145 55.803 -0.246 0.000 0.855 626 Q CB -0.179 28.529 28.738 -0.049 0.000 0.918 626 Q HN 0.025 nan 8.270 nan 0.000 0.444 627 T N 1.504 115.931 114.554 -0.212 0.000 2.684 627 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 627 T C 2.010 176.643 174.700 -0.111 0.000 1.036 627 T CA 1.647 63.636 62.100 -0.185 0.000 1.148 627 T CB -0.362 68.365 68.868 -0.235 0.000 0.863 627 T HN 0.535 nan 8.240 nan 0.000 0.436 628 A N 0.917 123.673 122.820 -0.107 0.000 1.930 628 A HA 0.116 4.436 4.320 -0.000 0.000 0.217 628 A C 2.278 179.824 177.584 -0.064 0.000 1.175 628 A CA 0.962 52.959 52.037 -0.066 0.000 0.627 628 A CB -0.726 18.238 19.000 -0.059 0.000 0.815 628 A HN 0.470 nan 8.150 nan 0.000 0.443 629 L N -0.704 120.454 121.223 -0.109 0.000 2.201 629 L HA -0.099 4.241 4.340 -0.000 0.000 0.212 629 L C 2.335 179.166 176.870 -0.064 0.000 1.105 629 L CA 0.815 55.600 54.840 -0.092 0.000 0.775 629 L CB -0.351 41.620 42.059 -0.147 0.000 0.913 629 L HN 0.376 nan 8.230 nan 0.000 0.440 630 I N -0.456 120.068 120.570 -0.077 0.000 2.333 630 I HA -0.204 3.966 4.170 -0.000 0.000 0.246 630 I C 2.765 178.878 176.117 -0.008 0.000 1.106 630 I CA 0.922 62.179 61.300 -0.071 0.000 1.411 630 I CB -0.292 37.655 38.000 -0.089 0.000 1.082 630 I HN 0.167 nan 8.210 nan 0.000 0.420 631 A N 0.994 123.833 122.820 0.031 0.000 1.908 631 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 631 A C 2.248 179.958 177.584 0.210 0.000 1.181 631 A CA 1.531 53.654 52.037 0.143 0.000 0.627 631 A CB -0.829 18.233 19.000 0.103 0.000 0.818 631 A HN 0.401 nan 8.150 nan 0.000 0.445 632 L N -0.557 120.727 121.223 0.102 0.000 2.046 632 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 632 L C 2.280 179.220 176.870 0.116 0.000 1.077 632 L CA 2.334 57.233 54.840 0.099 0.000 0.747 632 L CB -1.173 40.906 42.059 0.033 0.000 0.896 632 L HN 0.477 nan 8.230 nan 0.000 0.432 633 M N -0.649 118.992 119.600 0.069 0.000 2.156 633 M HA -0.062 4.418 4.480 -0.000 0.000 0.264 633 M C 2.299 178.639 176.300 0.067 0.000 1.067 633 M CA 1.474 56.812 55.300 0.063 0.000 1.131 633 M CB -0.457 32.148 32.600 0.007 0.000 1.368 633 M HN 0.377 nan 8.290 nan 0.000 0.416 634 A N -0.263 122.575 122.820 0.031 0.000 1.917 634 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 634 A C 1.449 179.005 177.584 -0.047 0.000 1.182 634 A CA 1.694 53.704 52.037 -0.045 0.000 0.633 634 A CB -1.047 17.884 19.000 -0.116 0.000 0.819 634 A HN 0.568 nan 8.150 nan 0.000 0.448 635 Y N -1.351 119.022 120.300 0.122 0.000 2.495 635 Y HA 0.342 4.892 4.550 -0.000 0.000 0.293 635 Y C 1.476 177.385 175.900 0.015 0.000 1.186 635 Y CA -0.093 58.051 58.100 0.073 0.000 1.266 635 Y CB 0.244 38.724 38.460 0.033 0.000 1.101 635 Y HN 0.335 nan 8.280 nan 0.000 0.517 636 I N -1.395 119.246 120.570 0.117 0.000 4.070 636 I HA 0.164 4.334 4.170 -0.000 0.000 0.328 636 I C 1.397 177.533 176.117 0.031 0.000 1.298 636 I CA 0.868 62.210 61.300 0.069 0.000 1.173 636 I CB 0.254 38.343 38.000 0.149 0.000 1.051 636 I HN 0.351 nan 8.210 nan 0.000 0.409 637 G N 1.428 110.268 108.800 0.068 0.000 2.141 637 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.231 637 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.231 637 G C 0.386 175.401 174.900 0.191 0.000 0.984 637 G CA 0.547 45.707 45.100 0.100 0.000 0.660 637 G HN 0.492 nan 8.290 nan 0.000 0.525 638 S N -0.913 114.909 115.700 0.203 0.000 2.672 638 S HA 0.754 5.224 4.470 -0.000 0.000 0.276 638 S C 0.603 175.414 174.600 0.352 0.000 1.207 638 S CA -0.630 57.737 58.200 0.278 0.000 1.002 638 S CB 0.861 64.205 63.200 0.240 0.000 0.998 638 S HN 0.320 nan 8.310 nan 0.000 0.542 639 Y N 0.599 120.984 120.300 0.141 0.000 2.260 639 Y HA 0.465 5.015 4.550 -0.000 0.000 0.339 639 Y C 0.721 176.634 175.900 0.022 0.000 1.317 639 Y CA -0.919 57.253 58.100 0.121 0.000 1.514 639 Y CB 0.556 39.149 38.460 0.222 0.000 1.382 639 Y HN 0.578 nan 8.280 nan 0.000 0.581 640 V N -0.957 118.945 119.914 -0.020 0.000 2.925 640 V HA 0.575 4.695 4.120 -0.000 0.000 0.311 640 V C -2.874 172.886 176.094 -0.556 0.000 1.104 640 V CA -2.904 59.168 62.300 -0.381 0.000 0.954 640 V CB 2.122 33.816 31.823 -0.214 0.000 1.022 640 V HN 0.583 nan 8.190 nan 0.000 0.427 641 P HA 0.466 nan 4.420 nan 0.000 0.259 641 P C -0.244 176.986 177.300 -0.116 0.000 1.635 641 P CA 0.702 63.570 63.100 -0.386 0.000 1.199 641 P CB 0.230 31.735 31.700 -0.325 0.000 1.850 642 A N 2.946 125.742 122.820 -0.040 0.000 2.586 642 A HA 0.361 4.680 4.320 -0.000 0.000 0.290 642 A C 0.777 178.372 177.584 0.019 0.000 1.086 642 A CA -0.458 51.577 52.037 -0.003 0.000 0.665 642 A CB 0.753 19.731 19.000 -0.036 0.000 1.279 642 A HN 0.155 nan 8.150 nan 0.000 0.423 643 Q N 0.047 119.859 119.800 0.020 0.000 2.212 643 Q HA 0.136 4.476 4.340 -0.000 0.000 0.199 643 Q C 0.116 176.109 176.000 -0.011 0.000 0.950 643 Q CA 1.154 56.966 55.803 0.015 0.000 0.863 643 Q CB 0.291 29.041 28.738 0.021 0.000 0.944 643 Q HN 0.531 nan 8.270 nan 0.000 0.465 644 K N -0.228 120.157 120.400 -0.025 0.000 2.557 644 K HA 0.415 4.735 4.320 -0.000 0.000 0.257 644 K C -1.882 174.679 176.600 -0.064 0.000 0.933 644 K CA -0.263 55.993 56.287 -0.052 0.000 0.820 644 K CB 2.294 34.771 32.500 -0.037 0.000 1.330 644 K HN -0.219 nan 8.250 nan 0.000 0.432 645 V N 3.373 123.223 119.914 -0.106 0.000 2.623 645 V HA 0.365 4.485 4.120 -0.000 0.000 0.304 645 V C -0.985 175.020 176.094 -0.149 0.000 1.054 645 V CA -0.806 61.426 62.300 -0.114 0.000 0.882 645 V CB 1.916 33.657 31.823 -0.136 0.000 1.002 645 V HN 0.763 nan 8.190 nan 0.000 0.424 646 E N 4.637 124.774 120.200 -0.105 0.000 2.195 646 E HA 0.780 5.130 4.350 -0.000 0.000 0.271 646 E C -1.043 175.525 176.600 -0.053 0.000 0.923 646 E CA -0.776 55.562 56.400 -0.103 0.000 0.790 646 E CB 3.356 33.024 29.700 -0.053 0.000 1.155 646 E HN 0.574 nan 8.360 nan 0.000 0.402 647 I N 0.977 121.533 120.570 -0.024 0.000 2.685 647 I HA 0.370 4.540 4.170 -0.000 0.000 0.289 647 I C -0.266 175.994 176.117 0.239 0.000 1.292 647 I CA -0.386 60.975 61.300 0.102 0.000 1.050 647 I CB 1.509 39.579 38.000 0.117 0.000 1.301 647 I HN 0.678 nan 8.210 nan 0.000 0.425 648 G N 6.094 115.031 108.800 0.228 0.000 2.535 648 G HA2 0.569 4.529 3.960 -0.000 0.000 0.282 648 G HA3 0.569 4.529 3.960 -0.000 0.000 0.282 648 G C -2.874 172.212 174.900 0.310 0.000 1.350 648 G CA -1.161 44.089 45.100 0.249 0.000 1.039 648 G HN 0.384 nan 8.290 nan 0.000 0.509 649 P HA 0.357 nan 4.420 nan 0.000 0.276 649 P C -0.657 176.661 177.300 0.029 0.000 1.230 649 P CA 0.031 63.187 63.100 0.093 0.000 0.776 649 P CB 1.092 32.782 31.700 -0.016 0.000 0.888 650 I N 2.975 123.412 120.570 -0.222 0.000 2.447 650 I HA 0.174 4.344 4.170 -0.000 0.000 0.287 650 I C 0.921 176.900 176.117 -0.230 0.000 1.023 650 I CA -0.465 60.727 61.300 -0.180 0.000 1.083 650 I CB 2.327 40.177 38.000 -0.250 0.000 1.245 650 I HN 0.380 nan 8.210 nan 0.000 0.434 651 D N 5.643 125.994 120.400 -0.082 0.000 2.301 651 D HA 0.047 4.687 4.640 -0.000 0.000 0.206 651 D C 0.489 176.734 176.300 -0.093 0.000 0.979 651 D CA 0.532 54.477 54.000 -0.091 0.000 0.874 651 D CB 0.568 41.359 40.800 -0.015 0.000 0.968 651 D HN 0.403 nan 8.370 nan 0.000 0.510 652 R N -0.734 119.721 120.500 -0.074 0.000 2.643 652 R HA 0.607 4.947 4.340 -0.000 0.000 0.269 652 R C -1.227 174.975 176.300 -0.164 0.000 1.037 652 R CA -0.600 55.400 56.100 -0.167 0.000 0.894 652 R CB 2.263 32.465 30.300 -0.164 0.000 1.238 652 R HN -0.065 nan 8.270 nan 0.000 0.459 653 I N 2.564 122.961 120.570 -0.287 0.000 2.436 653 I HA 0.403 4.573 4.170 -0.000 0.000 0.289 653 I C -1.126 174.791 176.117 -0.334 0.000 1.010 653 I CA -0.532 60.662 61.300 -0.176 0.000 1.098 653 I CB 1.341 39.280 38.000 -0.102 0.000 1.266 653 I HN 0.375 nan 8.210 nan 0.000 0.434 654 F N 3.504 123.452 119.950 -0.004 0.000 2.467 654 F HA 0.454 4.981 4.527 -0.000 0.000 0.336 654 F C 0.431 176.226 175.800 -0.009 0.000 1.123 654 F CA -0.724 57.274 58.000 -0.003 0.000 0.964 654 F CB 2.148 41.150 39.000 0.003 0.000 1.136 654 F HN 0.293 nan 8.300 nan 0.000 0.447 655 T N 0.336 114.971 114.554 0.135 0.000 2.892 655 T HA 0.399 4.749 4.350 -0.000 0.000 0.311 655 T C -0.488 174.252 174.700 0.066 0.000 1.033 655 T CA -1.009 61.138 62.100 0.078 0.000 0.991 655 T CB 1.041 69.926 68.868 0.028 0.000 0.981 655 T HN 0.551 nan 8.240 nan 0.000 0.457 656 R N 3.563 124.093 120.500 0.050 0.000 3.956 656 R HA 0.534 4.874 4.340 -0.000 0.000 0.237 656 R C -1.361 174.935 176.300 -0.007 0.000 1.552 656 R CA -0.478 55.633 56.100 0.018 0.000 1.529 656 R CB -0.818 29.481 30.300 -0.002 0.000 1.376 656 R HN 0.559 nan 8.270 nan 0.000 0.733 657 V N 1.834 121.749 119.914 0.002 0.000 2.483 657 V HA 0.931 5.051 4.120 -0.000 0.000 0.297 657 V C 0.352 176.447 176.094 0.002 0.000 1.027 657 V CA -0.218 62.079 62.300 -0.004 0.000 0.855 657 V CB 1.445 33.269 31.823 0.001 0.000 0.995 657 V HN 0.705 nan 8.190 nan 0.000 0.424 670 F N 1.266 121.226 119.950 0.017 0.000 2.216 670 F HA 0.016 4.543 4.527 -0.000 0.000 0.300 670 F C 2.133 177.948 175.800 0.026 0.000 1.085 670 F CA 1.382 59.397 58.000 0.025 0.000 1.326 670 F CB -0.292 38.727 39.000 0.032 0.000 1.027 670 F HN 0.428 nan 8.300 nan 0.000 0.497 671 M N -0.494 119.098 119.600 -0.015 0.000 2.117 671 M HA -0.160 4.320 4.480 -0.000 0.000 0.262 671 M C 2.267 178.492 176.300 -0.125 0.000 1.065 671 M CA 1.223 56.465 55.300 -0.098 0.000 1.114 671 M CB -1.073 31.534 32.600 0.012 0.000 1.361 671 M HN 0.065 nan 8.290 nan 0.000 0.408 672 V N -0.074 119.801 119.914 -0.065 0.000 2.343 672 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 672 V C 2.225 178.271 176.094 -0.081 0.000 1.051 672 V CA 1.779 64.048 62.300 -0.052 0.000 1.036 672 V CB -0.655 31.158 31.823 -0.017 0.000 0.654 672 V HN 0.485 nan 8.190 nan 0.000 0.451 673 E N -0.743 119.391 120.200 -0.110 0.000 2.110 673 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 673 E C 2.264 178.752 176.600 -0.186 0.000 0.988 673 E CA 1.291 57.618 56.400 -0.122 0.000 0.804 673 E CB -0.023 29.621 29.700 -0.094 0.000 0.745 673 E HN 0.359 nan 8.360 nan 0.000 0.458 674 M N -0.281 119.125 119.600 -0.323 0.000 2.288 674 M HA -0.054 4.426 4.480 -0.000 0.000 0.266 674 M C 2.237 178.441 176.300 -0.161 0.000 1.072 674 M CA 1.153 56.266 55.300 -0.311 0.000 1.132 674 M CB -0.713 31.580 32.600 -0.511 0.000 1.386 674 M HN 0.071 nan 8.290 nan 0.000 0.432 675 T N 0.675 115.154 114.554 -0.123 0.000 2.708 675 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 675 T C 1.708 176.391 174.700 -0.028 0.000 1.037 675 T CA 1.366 63.433 62.100 -0.055 0.000 1.146 675 T CB -0.142 68.703 68.868 -0.038 0.000 0.865 675 T HN 0.444 nan 8.240 nan 0.000 0.435 676 E N 0.382 120.564 120.200 -0.031 0.000 2.160 676 E HA -0.113 4.237 4.350 -0.000 0.000 0.195 676 E C 2.361 178.952 176.600 -0.014 0.000 0.991 676 E CA 1.298 57.699 56.400 0.000 0.000 0.810 676 E CB -0.182 29.520 29.700 0.004 0.000 0.742 676 E HN 0.391 nan 8.360 nan 0.000 0.466 677 T N 0.729 115.251 114.554 -0.053 0.000 2.777 677 T HA -0.103 4.247 4.350 -0.000 0.000 0.266 677 T C 2.005 176.649 174.700 -0.094 0.000 1.040 677 T CA 1.072 63.130 62.100 -0.070 0.000 1.141 677 T CB -0.185 68.642 68.868 -0.070 0.000 0.868 677 T HN 0.248 nan 8.240 nan 0.000 0.444 678 A N 2.103 124.873 122.820 -0.083 0.000 1.908 678 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 678 A C 2.134 179.691 177.584 -0.044 0.000 1.181 678 A CA 2.276 54.250 52.037 -0.104 0.000 0.627 678 A CB -0.986 17.999 19.000 -0.025 0.000 0.818 678 A HN 0.551 nan 8.150 nan 0.000 0.445 679 N N -0.102 118.619 118.700 0.034 0.000 2.084 679 N HA -0.131 4.609 4.740 -0.000 0.000 0.190 679 N C 1.466 176.967 175.510 -0.016 0.000 1.030 679 N CA 1.941 55.048 53.050 0.096 0.000 0.849 679 N CB -0.404 38.158 38.487 0.125 0.000 1.012 679 N HN 0.494 nan 8.380 nan 0.000 0.423 680 I N 0.194 120.648 120.570 -0.194 0.000 2.163 680 I HA -0.282 3.888 4.170 -0.000 0.000 0.243 680 I C 1.998 177.843 176.117 -0.452 0.000 1.085 680 I CA 1.048 61.963 61.300 -0.642 0.000 1.347 680 I CB -0.237 37.471 38.000 -0.487 0.000 1.044 680 I HN 0.226 nan 8.210 nan 0.000 0.408 681 L N -0.813 120.250 121.223 -0.267 0.000 2.141 681 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 681 L C 2.512 179.278 176.870 -0.173 0.000 1.094 681 L CA 0.908 55.611 54.840 -0.228 0.000 0.763 681 L CB -0.793 41.123 42.059 -0.239 0.000 0.908 681 L HN 0.357 nan 8.230 nan 0.000 0.437 682 H N -0.289 118.731 119.070 -0.084 0.000 2.470 682 H HA 0.048 4.604 4.556 -0.000 0.000 0.289 682 H C 1.551 176.868 175.328 -0.017 0.000 1.033 682 H CA 0.930 56.955 56.048 -0.038 0.000 1.331 682 H CB 0.319 30.071 29.762 -0.016 0.000 1.414 682 H HN 0.359 nan 8.280 nan 0.000 0.545 683 N N -0.216 118.542 118.700 0.096 0.000 2.257 683 N HA 0.116 4.856 4.740 -0.000 0.000 0.200 683 N C 0.470 176.073 175.510 0.156 0.000 1.163 683 N CA 0.109 53.249 53.050 0.150 0.000 0.891 683 N CB 1.170 39.821 38.487 0.273 0.000 1.067 683 N HN 0.049 nan 8.380 nan 0.000 0.497 684 A N 1.412 124.204 122.820 -0.047 0.000 2.445 684 A HA 0.396 4.716 4.320 -0.000 0.000 0.242 684 A C 0.899 178.519 177.584 0.059 0.000 1.075 684 A CA 0.253 52.282 52.037 -0.013 0.000 0.777 684 A CB 0.152 18.997 19.000 -0.259 0.000 1.013 684 A HN 0.258 nan 8.150 nan 0.000 0.493 685 T N -1.665 112.957 114.554 0.113 0.000 2.807 685 T HA 0.455 4.804 4.350 -0.000 0.000 0.277 685 T C 0.873 175.579 174.700 0.010 0.000 1.006 685 T CA 0.134 62.277 62.100 0.072 0.000 1.006 685 T CB 0.962 69.916 68.868 0.143 0.000 1.274 685 T HN 0.749 nan 8.240 nan 0.000 0.569 686 E N -0.260 119.881 120.200 -0.098 0.000 2.333 686 E HA -0.174 4.176 4.350 -0.000 0.000 0.198 686 E C 0.545 176.955 176.600 -0.317 0.000 1.007 686 E CA 1.214 57.466 56.400 -0.247 0.000 0.845 686 E CB -0.569 28.901 29.700 -0.384 0.000 0.766 686 E HN 0.763 nan 8.360 nan 0.000 0.507 687 Y N 1.264 121.577 120.300 0.021 0.000 2.466 687 Y HA 0.281 4.831 4.550 -0.000 0.000 0.272 687 Y C 0.824 176.736 175.900 0.021 0.000 1.169 687 Y CA -0.239 57.869 58.100 0.012 0.000 1.285 687 Y CB 0.563 39.020 38.460 -0.005 0.000 1.078 687 Y HN -0.107 nan 8.280 nan 0.000 0.523 688 S N 0.790 116.583 115.700 0.156 0.000 2.632 688 S HA 0.462 4.932 4.470 -0.000 0.000 0.271 688 S C -0.919 173.766 174.600 0.141 0.000 1.260 688 S CA -0.564 57.744 58.200 0.180 0.000 1.010 688 S CB 1.146 64.522 63.200 0.294 0.000 0.965 688 S HN 0.165 nan 8.310 nan 0.000 0.534 689 L N 3.148 124.467 121.223 0.159 0.000 2.319 689 L HA 0.664 5.004 4.340 -0.000 0.000 0.281 689 L C -1.370 175.612 176.870 0.188 0.000 1.005 689 L CA -0.289 54.623 54.840 0.121 0.000 0.828 689 L CB 1.125 43.224 42.059 0.066 0.000 1.227 689 L HN 0.381 nan 8.230 nan 0.000 0.415 690 V N 6.518 126.521 119.914 0.149 0.000 2.495 690 V HA 0.538 4.658 4.120 -0.000 0.000 0.298 690 V C -0.369 175.786 176.094 0.102 0.000 1.031 690 V CA -0.490 61.901 62.300 0.153 0.000 0.871 690 V CB 1.741 33.607 31.823 0.071 0.000 0.988 690 V HN 0.617 nan 8.190 nan 0.000 0.432 691 L N 5.789 127.066 121.223 0.090 0.000 2.372 691 L HA 0.656 4.996 4.340 -0.000 0.000 0.274 691 L C -0.528 176.346 176.870 0.007 0.000 0.988 691 L CA -0.292 54.575 54.840 0.045 0.000 0.833 691 L CB 1.740 43.815 42.059 0.027 0.000 1.236 691 L HN 0.445 nan 8.230 nan 0.000 0.410 692 M N 2.373 121.940 119.600 -0.055 0.000 2.321 692 M HA 0.312 4.792 4.480 -0.000 0.000 0.315 692 M C -1.235 174.941 176.300 -0.208 0.000 1.052 692 M CA -0.451 54.747 55.300 -0.170 0.000 0.936 692 M CB 2.316 34.704 32.600 -0.354 0.000 1.639 692 M HN 0.393 nan 8.290 nan 0.000 0.433 693 D N 3.655 123.965 120.400 -0.150 0.000 2.479 693 D HA 0.222 4.862 4.640 -0.000 0.000 0.247 693 D C -0.603 175.632 176.300 -0.109 0.000 1.119 693 D CA 0.248 54.185 54.000 -0.104 0.000 0.922 693 D CB 0.335 41.103 40.800 -0.054 0.000 1.014 693 D HN 0.672 nan 8.370 nan 0.000 0.510 694 E N 1.884 122.001 120.200 -0.138 0.000 2.273 694 E HA -0.223 4.127 4.350 -0.000 0.000 0.177 694 E C 0.159 176.763 176.600 0.006 0.000 1.511 694 E CA 0.264 56.639 56.400 -0.042 0.000 0.675 694 E CB -1.340 28.352 29.700 -0.014 0.000 1.094 694 E HN 0.649 nan 8.360 nan 0.000 0.348 695 I N -2.626 117.936 120.570 -0.013 0.000 2.720 695 I HA 0.540 4.710 4.170 -0.000 0.000 0.287 695 I C 1.509 177.829 176.117 0.338 0.000 1.090 695 I CA 0.472 61.840 61.300 0.113 0.000 1.384 695 I CB 1.328 39.359 38.000 0.051 0.000 1.420 695 I HN 0.310 nan 8.210 nan 0.000 0.575 696 G N 3.453 112.507 108.800 0.422 0.000 2.259 696 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.217 696 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.217 696 G C 0.446 175.608 174.900 0.437 0.000 1.001 696 G CA -0.565 44.871 45.100 0.561 0.000 0.627 696 G HN 0.677 nan 8.290 nan 0.000 0.501 697 R N 0.781 121.448 120.500 0.278 0.000 2.570 697 R HA 0.416 4.756 4.340 -0.000 0.000 0.277 697 R C 1.445 177.841 176.300 0.160 0.000 1.039 697 R CA 1.154 57.315 56.100 0.101 0.000 1.065 697 R CB 0.365 30.644 30.300 -0.036 0.000 0.964 697 R HN 1.515 nan 8.270 nan 0.000 0.428 698 G N 1.045 109.868 108.800 0.039 0.000 2.141 698 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.242 698 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.242 698 G C 0.254 174.951 174.900 -0.338 0.000 0.982 698 G CA 0.609 45.692 45.100 -0.029 0.000 0.662 698 G HN 0.736 nan 8.290 nan 0.000 0.527 699 T N -0.851 113.491 114.554 -0.352 0.000 2.654 699 T HA 0.701 5.050 4.350 -0.000 0.000 0.289 699 T C 0.836 175.447 174.700 -0.148 0.000 1.062 699 T CA 0.963 62.790 62.100 -0.454 0.000 1.041 699 T CB 1.072 69.398 68.868 -0.904 0.000 1.417 699 T HN 1.428 nan 8.240 nan 0.000 0.510 700 S N 0.375 116.008 115.700 -0.111 0.000 2.584 700 S HA 0.157 4.627 4.470 -0.000 0.000 0.270 700 S C 1.398 176.036 174.600 0.063 0.000 1.346 700 S CA 0.473 58.654 58.200 -0.032 0.000 1.018 700 S CB 0.346 63.517 63.200 -0.047 0.000 0.899 700 S HN 0.737 nan 8.310 nan 0.000 0.542 701 T N 1.554 116.155 114.554 0.078 0.000 2.635 701 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 701 T C 1.260 176.108 174.700 0.247 0.000 1.040 701 T CA 1.900 64.124 62.100 0.206 0.000 1.156 701 T CB -0.636 68.317 68.868 0.140 0.000 0.863 701 T HN 0.703 nan 8.240 nan 0.000 0.430 702 Y N 1.396 121.691 120.300 -0.009 0.000 2.373 702 Y HA 0.039 4.589 4.550 -0.000 0.000 0.293 702 Y C 2.245 178.105 175.900 -0.067 0.000 1.129 702 Y CA -0.164 57.899 58.100 -0.062 0.000 1.226 702 Y CB -0.829 37.599 38.460 -0.053 0.000 1.000 702 Y HN 0.240 nan 8.280 nan 0.000 0.549 703 D N -0.930 119.548 120.400 0.130 0.000 2.103 703 D HA -0.077 4.563 4.640 -0.000 0.000 0.199 703 D C 2.467 178.822 176.300 0.092 0.000 0.978 703 D CA 1.516 55.563 54.000 0.078 0.000 0.829 703 D CB -0.602 40.223 40.800 0.041 0.000 0.981 703 D HN 0.318 nan 8.370 nan 0.000 0.464 704 G N 0.446 109.320 108.800 0.124 0.000 2.403 704 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.216 704 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.216 704 G C 1.498 176.412 174.900 0.025 0.000 1.154 704 G CA 0.351 45.595 45.100 0.240 0.000 0.784 704 G HN 0.219 nan 8.290 nan 0.000 0.538 705 L N 1.130 122.111 121.223 -0.403 0.000 2.083 705 L HA 0.079 4.419 4.340 -0.000 0.000 0.209 705 L C 2.688 179.420 176.870 -0.231 0.000 1.083 705 L CA 2.096 56.454 54.840 -0.804 0.000 0.752 705 L CB -0.600 41.040 42.059 -0.699 0.000 0.899 705 L HN 0.137 nan 8.230 nan 0.000 0.433 706 S N -0.704 114.932 115.700 -0.107 0.000 2.387 706 S HA -0.025 4.445 4.470 -0.000 0.000 0.226 706 S C 1.881 176.518 174.600 0.061 0.000 1.026 706 S CA 1.258 59.429 58.200 -0.048 0.000 0.972 706 S CB -0.262 62.904 63.200 -0.057 0.000 0.814 706 S HN 0.440 nan 8.310 nan 0.000 0.477 707 L N 1.214 122.498 121.223 0.102 0.000 2.027 707 L HA -0.071 4.269 4.340 -0.000 0.000 0.206 707 L C 2.811 179.802 176.870 0.201 0.000 1.074 707 L CA 1.152 56.082 54.840 0.149 0.000 0.745 707 L CB -0.736 41.437 42.059 0.190 0.000 0.898 707 L HN 0.291 nan 8.230 nan 0.000 0.433 708 A N -0.230 122.742 122.820 0.253 0.000 1.892 708 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 708 A C 2.178 179.918 177.584 0.259 0.000 1.188 708 A CA 1.959 54.235 52.037 0.398 0.000 0.631 708 A CB -1.166 18.114 19.000 0.467 0.000 0.822 708 A HN 0.695 nan 8.150 nan 0.000 0.447 709 W N 0.523 121.807 121.300 -0.027 0.000 2.381 709 W HA -0.065 4.595 4.660 -0.000 0.000 0.301 709 W C 2.394 178.842 176.519 -0.119 0.000 1.205 709 W CA 1.830 59.107 57.345 -0.114 0.000 1.285 709 W CB -0.512 28.870 29.460 -0.131 0.000 1.133 709 W HN 0.429 nan 8.180 nan 0.000 0.521 710 A N 0.036 123.006 122.820 0.251 0.000 1.933 710 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 710 A C 2.183 179.783 177.584 0.027 0.000 1.175 710 A CA 1.928 54.043 52.037 0.131 0.000 0.628 710 A CB -1.349 17.709 19.000 0.096 0.000 0.814 710 A HN 0.325 nan 8.150 nan 0.000 0.444 711 C N -1.338 117.987 119.300 0.043 0.000 2.496 711 C HA 0.125 4.585 4.460 -0.000 0.000 0.281 711 C C 3.305 178.211 174.990 -0.141 0.000 1.250 711 C CA 0.768 59.805 59.018 0.033 0.000 1.717 711 C CB -1.351 26.532 27.740 0.238 0.000 2.082 711 C HN 0.726 nan 8.230 nan 0.000 0.472 712 A N 0.470 123.006 122.820 -0.473 0.000 1.894 712 A HA -0.360 3.960 4.320 -0.000 0.000 0.220 712 A C 2.049 179.368 177.584 -0.440 0.000 1.237 712 A CA 2.615 54.159 52.037 -0.821 0.000 0.660 712 A CB -1.046 17.256 19.000 -1.163 0.000 0.835 712 A HN 0.764 nan 8.150 nan 0.000 0.461 713 E N -0.717 119.270 120.200 -0.354 0.000 2.038 713 E HA -0.284 4.066 4.350 -0.000 0.000 0.195 713 E C 2.017 178.529 176.600 -0.146 0.000 1.000 713 E CA 1.553 57.812 56.400 -0.234 0.000 0.803 713 E CB -0.263 29.361 29.700 -0.126 0.000 0.750 713 E HN 0.702 nan 8.360 nan 0.000 0.448 714 N N -0.230 118.405 118.700 -0.107 0.000 2.104 714 N HA -0.157 4.583 4.740 -0.000 0.000 0.190 714 N C 1.912 177.365 175.510 -0.095 0.000 1.024 714 N CA 1.171 54.172 53.050 -0.083 0.000 0.853 714 N CB -0.068 38.380 38.487 -0.066 0.000 1.008 714 N HN 0.144 nan 8.380 nan 0.000 0.424 715 L N -0.474 120.681 121.223 -0.113 0.000 2.093 715 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 715 L C 2.312 179.120 176.870 -0.103 0.000 1.085 715 L CA 1.166 55.948 54.840 -0.097 0.000 0.755 715 L CB -0.375 41.642 42.059 -0.071 0.000 0.904 715 L HN 0.270 nan 8.230 nan 0.000 0.435 716 A N -0.354 122.383 122.820 -0.138 0.000 1.898 716 A HA -0.133 4.187 4.320 -0.000 0.000 0.214 716 A C 1.877 179.400 177.584 -0.102 0.000 1.183 716 A CA 1.556 53.516 52.037 -0.127 0.000 0.622 716 A CB -0.432 18.466 19.000 -0.170 0.000 0.824 716 A HN 0.492 nan 8.150 nan 0.000 0.444 717 N N -1.932 116.710 118.700 -0.098 0.000 2.254 717 N HA 0.043 4.783 4.740 -0.000 0.000 0.190 717 N C 1.501 176.975 175.510 -0.060 0.000 1.107 717 N CA 0.242 53.247 53.050 -0.075 0.000 0.869 717 N CB 0.372 38.817 38.487 -0.070 0.000 0.983 717 N HN 0.323 nan 8.380 nan 0.000 0.487 718 K N 1.097 121.459 120.400 -0.062 0.000 2.431 718 K HA 0.222 4.542 4.320 -0.000 0.000 0.213 718 K C 1.587 178.155 176.600 -0.052 0.000 1.258 718 K CA 0.051 56.308 56.287 -0.050 0.000 0.845 718 K CB 0.038 32.511 32.500 -0.045 0.000 1.498 718 K HN -0.060 nan 8.250 nan 0.000 0.451 719 I N 1.912 122.446 120.570 -0.059 0.000 2.286 719 I HA -0.153 4.017 4.170 -0.000 0.000 0.245 719 I C 0.598 176.674 176.117 -0.068 0.000 1.104 719 I CA 1.106 62.371 61.300 -0.058 0.000 1.397 719 I CB -0.054 37.906 38.000 -0.067 0.000 1.072 719 I HN 0.287 nan 8.210 nan 0.000 0.417 720 K N -0.156 120.200 120.400 -0.073 0.000 3.274 720 K HA -0.189 4.131 4.320 -0.000 0.000 0.300 720 K C 0.389 176.944 176.600 -0.075 0.000 1.230 720 K CA 0.338 56.577 56.287 -0.080 0.000 0.884 720 K CB -1.923 30.521 32.500 -0.092 0.000 1.242 720 K HN 0.432 nan 8.250 nan 0.000 0.467 721 A N 1.131 123.917 122.820 -0.056 0.000 2.466 721 A HA 0.278 4.598 4.320 -0.000 0.000 0.238 721 A C 0.698 178.274 177.584 -0.014 0.000 1.074 721 A CA -0.118 51.902 52.037 -0.027 0.000 0.774 721 A CB 0.228 19.225 19.000 -0.005 0.000 1.015 721 A HN 0.296 nan 8.150 nan 0.000 0.498 722 L N 1.697 122.924 121.223 0.007 0.000 2.455 722 L HA 0.312 4.652 4.340 -0.000 0.000 0.272 722 L C 0.186 177.080 176.870 0.040 0.000 1.174 722 L CA 0.359 55.211 54.840 0.020 0.000 0.869 722 L CB 0.278 42.356 42.059 0.030 0.000 1.130 722 L HN 0.730 nan 8.230 nan 0.000 0.474 723 T N 4.350 118.931 114.554 0.045 0.000 2.993 723 T HA 0.478 4.828 4.350 -0.000 0.000 0.312 723 T C -0.497 174.265 174.700 0.104 0.000 1.115 723 T CA -0.552 61.595 62.100 0.079 0.000 1.027 723 T CB 1.663 70.580 68.868 0.083 0.000 1.116 723 T HN 0.300 nan 8.240 nan 0.000 0.464 724 L N 3.189 124.483 121.223 0.119 0.000 2.295 724 L HA 0.527 4.867 4.340 -0.000 0.000 0.281 724 L C -1.049 175.926 176.870 0.174 0.000 1.018 724 L CA -0.705 54.221 54.840 0.143 0.000 0.841 724 L CB 0.868 42.989 42.059 0.104 0.000 1.218 724 L HN 0.618 nan 8.230 nan 0.000 0.424 725 F N 3.471 123.446 119.950 0.042 0.000 2.300 725 F HA 0.526 5.053 4.527 -0.000 0.000 0.364 725 F C 0.764 176.597 175.800 0.055 0.000 1.090 725 F CA -0.621 57.400 58.000 0.035 0.000 1.200 725 F CB 0.769 39.771 39.000 0.003 0.000 1.493 725 F HN 0.483 nan 8.300 nan 0.000 0.518 726 A N 3.551 126.346 122.820 -0.041 0.000 2.425 726 A HA 0.586 4.906 4.320 -0.000 0.000 0.249 726 A C 0.132 177.691 177.584 -0.042 0.000 1.084 726 A CA 0.109 52.148 52.037 0.004 0.000 0.781 726 A CB 0.585 19.582 19.000 -0.006 0.000 1.019 726 A HN 0.617 nan 8.150 nan 0.000 0.490 727 T N -0.268 114.335 114.554 0.083 0.000 2.885 727 T HA 0.439 4.789 4.350 -0.000 0.000 0.322 727 T C 0.495 175.273 174.700 0.131 0.000 1.387 727 T CA -0.219 61.954 62.100 0.123 0.000 1.041 727 T CB 0.708 69.725 68.868 0.248 0.000 1.287 727 T HN 0.871 nan 8.240 nan 0.000 0.491 728 H N 1.961 120.963 119.070 -0.114 0.000 2.562 728 H HA 0.164 4.720 4.556 -0.000 0.000 0.267 728 H C -0.261 175.056 175.328 -0.018 0.000 0.959 728 H CA 0.034 56.026 56.048 -0.093 0.000 1.204 728 H CB -0.534 29.122 29.762 -0.177 0.000 1.430 728 H HN 0.493 nan 8.280 nan 0.000 0.545 729 Y N 1.591 121.694 120.300 -0.328 0.000 2.697 729 Y HA -0.002 4.548 4.550 -0.000 0.000 0.349 729 Y C 1.246 177.172 175.900 0.043 0.000 1.120 729 Y CA -0.510 57.493 58.100 -0.161 0.000 1.468 729 Y CB -0.303 38.082 38.460 -0.125 0.000 1.182 729 Y HN 0.071 nan 8.280 nan 0.000 0.525 730 F N 2.098 122.130 119.950 0.136 0.000 2.333 730 F HA -0.156 4.371 4.527 -0.000 0.000 0.300 730 F C 1.513 177.387 175.800 0.124 0.000 1.083 730 F CA 1.406 59.470 58.000 0.107 0.000 1.395 730 F CB 0.097 39.144 39.000 0.077 0.000 1.056 730 F HN 0.446 nan 8.300 nan 0.000 0.529 731 E N 0.426 120.672 120.200 0.076 0.000 2.204 731 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 731 E C 2.135 178.770 176.600 0.060 0.000 0.989 731 E CA 0.808 57.230 56.400 0.036 0.000 0.824 731 E CB -0.350 29.428 29.700 0.130 0.000 0.756 731 E HN 0.450 nan 8.360 nan 0.000 0.477 732 L N 0.768 122.020 121.223 0.049 0.000 2.465 732 L HA -0.073 4.267 4.340 -0.000 0.000 0.224 732 L C 1.950 178.686 176.870 -0.223 0.000 1.145 732 L CA 1.271 56.071 54.840 -0.067 0.000 0.834 732 L CB -0.570 41.504 42.059 0.026 0.000 0.944 732 L HN 0.305 nan 8.230 nan 0.000 0.451 733 T N -4.434 109.940 114.554 -0.299 0.000 3.113 733 T HA -0.117 4.233 4.350 -0.000 0.000 0.263 733 T C 1.596 176.135 174.700 -0.268 0.000 1.143 733 T CA 0.384 62.297 62.100 -0.313 0.000 1.090 733 T CB -0.049 68.559 68.868 -0.432 0.000 0.922 733 T HN 0.235 nan 8.240 nan 0.000 0.521 734 Q N 0.308 119.970 119.800 -0.230 0.000 2.451 734 Q HA 0.285 4.625 4.340 -0.000 0.000 0.206 734 Q C 2.146 178.048 176.000 -0.164 0.000 0.947 734 Q CA 0.166 55.898 55.803 -0.118 0.000 0.937 734 Q CB -0.316 28.442 28.738 0.033 0.000 1.025 734 Q HN 0.545 nan 8.270 nan 0.000 0.511 735 L N 0.824 121.841 121.223 -0.344 0.000 2.012 735 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 735 L C -0.576 176.141 176.870 -0.254 0.000 1.073 735 L CA 1.517 56.089 54.840 -0.446 0.000 0.748 735 L CB -1.558 40.139 42.059 -0.604 0.000 0.891 735 L HN 0.133 nan 8.230 nan 0.000 0.431 736 P HA -0.201 nan 4.420 nan 0.000 0.217 736 P C 1.128 178.377 177.300 -0.085 0.000 1.148 736 P CA 1.357 64.386 63.100 -0.118 0.000 0.834 736 P CB 0.091 31.738 31.700 -0.090 0.000 0.783 737 E N -0.688 119.468 120.200 -0.073 0.000 2.107 737 E HA -0.099 4.251 4.350 -0.000 0.000 0.191 737 E C 1.792 178.372 176.600 -0.033 0.000 0.982 737 E CA 0.960 57.335 56.400 -0.040 0.000 0.809 737 E CB -0.319 29.368 29.700 -0.022 0.000 0.756 737 E HN 0.236 nan 8.360 nan 0.000 0.459 738 K N -0.154 120.222 120.400 -0.041 0.000 2.365 738 K HA 0.104 4.424 4.320 -0.000 0.000 0.197 738 K C 0.670 177.244 176.600 -0.043 0.000 1.042 738 K CA 0.564 56.840 56.287 -0.018 0.000 0.987 738 K CB 0.192 32.711 32.500 0.031 0.000 0.779 738 K HN 0.245 nan 8.250 nan 0.000 0.484 739 M N -1.371 118.183 119.600 -0.076 0.000 2.534 739 M HA 0.352 4.832 4.480 -0.000 0.000 0.280 739 M C -1.174 175.080 176.300 -0.078 0.000 1.217 739 M CA -0.852 54.402 55.300 -0.077 0.000 0.893 739 M CB 2.322 34.862 32.600 -0.100 0.000 1.730 739 M HN -0.331 nan 8.290 nan 0.000 0.483 740 E N 0.675 120.837 120.200 -0.062 0.000 2.354 740 E HA 0.453 4.803 4.350 -0.000 0.000 0.269 740 E C 0.875 177.437 176.600 -0.063 0.000 1.036 740 E CA 1.570 57.938 56.400 -0.054 0.000 0.876 740 E CB 1.260 30.936 29.700 -0.041 0.000 1.009 740 E HN 0.986 nan 8.360 nan 0.000 0.416 741 G N 2.504 111.271 108.800 -0.055 0.000 2.175 741 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.244 741 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.244 741 G C -0.172 174.689 174.900 -0.064 0.000 0.982 741 G CA 0.187 45.254 45.100 -0.055 0.000 0.641 741 G HN 0.422 nan 8.290 nan 0.000 0.527 742 V N 0.726 120.593 119.914 -0.079 0.000 2.448 742 V HA 0.874 4.994 4.120 -0.000 0.000 0.295 742 V C 0.434 176.487 176.094 -0.069 0.000 1.025 742 V CA -0.144 62.100 62.300 -0.094 0.000 0.859 742 V CB 1.424 33.153 31.823 -0.156 0.000 0.988 742 V HN 1.236 nan 8.190 nan 0.000 0.431 743 A N 4.199 126.993 122.820 -0.043 0.000 2.384 743 A HA 0.787 5.106 4.320 -0.000 0.000 0.312 743 A C -0.550 177.028 177.584 -0.010 0.000 1.113 743 A CA -0.851 51.172 52.037 -0.022 0.000 0.779 743 A CB 1.302 20.302 19.000 0.002 0.000 1.307 743 A HN 0.689 nan 8.150 nan 0.000 0.436 744 N N 0.137 118.838 118.700 0.001 0.000 2.456 744 N HA 0.535 5.275 4.740 -0.000 0.000 0.288 744 N C -0.374 175.179 175.510 0.072 0.000 1.059 744 N CA 0.006 53.072 53.050 0.026 0.000 0.946 744 N CB 1.780 40.273 38.487 0.010 0.000 1.150 744 N HN 0.767 nan 8.380 nan 0.000 0.479 745 V N -0.528 119.445 119.914 0.098 0.000 3.158 745 V HA 0.737 4.857 4.120 -0.000 0.000 0.311 745 V C -0.680 175.532 176.094 0.196 0.000 1.181 745 V CA -0.714 61.659 62.300 0.122 0.000 1.054 745 V CB 2.576 34.419 31.823 0.034 0.000 1.085 745 V HN 0.913 nan 8.190 nan 0.000 0.446 746 H N 0.107 119.167 119.070 -0.017 0.000 2.987 746 H HA 0.611 5.167 4.556 -0.000 0.000 0.316 746 H C -2.308 173.003 175.328 -0.029 0.000 1.380 746 H CA -1.074 54.975 56.048 0.002 0.000 1.160 746 H CB 1.412 31.208 29.762 0.058 0.000 1.865 746 H HN 0.796 nan 8.280 nan 0.000 0.521 747 L N 1.993 123.209 121.223 -0.010 0.000 2.334 747 L HA 0.361 4.701 4.340 -0.000 0.000 0.276 747 L C -0.411 176.515 176.870 0.093 0.000 1.014 747 L CA -0.806 53.988 54.840 -0.076 0.000 0.815 747 L CB 1.720 43.745 42.059 -0.057 0.000 1.268 747 L HN 0.696 nan 8.230 nan 0.000 0.428 748 D N 1.316 121.735 120.400 0.032 0.000 2.449 748 D HA 0.795 5.435 4.640 -0.000 0.000 0.250 748 D C -0.632 175.622 176.300 -0.078 0.000 1.050 748 D CA -0.629 53.432 54.000 0.102 0.000 1.024 748 D CB 1.749 42.654 40.800 0.176 0.000 1.218 748 D HN 0.565 nan 8.370 nan 0.000 0.566 749 A N -0.612 122.041 122.820 -0.279 0.000 2.389 749 A HA 0.738 5.058 4.320 -0.000 0.000 0.293 749 A C -1.640 175.808 177.584 -0.228 0.000 1.186 749 A CA -0.761 50.984 52.037 -0.487 0.000 0.828 749 A CB 1.201 19.443 19.000 -1.264 0.000 1.369 749 A HN 0.501 nan 8.150 nan 0.000 0.446 750 L N 0.536 121.628 121.223 -0.218 0.000 2.446 750 L HA 0.426 4.766 4.340 -0.000 0.000 0.268 750 L C -0.726 176.132 176.870 -0.020 0.000 0.975 750 L CA -0.059 54.755 54.840 -0.044 0.000 0.848 750 L CB 1.399 43.464 42.059 0.009 0.000 1.225 750 L HN 0.789 nan 8.230 nan 0.000 0.410 751 E N 3.955 124.158 120.200 0.005 0.000 2.290 751 E HA 0.450 4.800 4.350 -0.000 0.000 0.277 751 E C -1.128 175.500 176.600 0.048 0.000 1.035 751 E CA -0.013 56.372 56.400 -0.025 0.000 0.873 751 E CB 0.536 30.240 29.700 0.007 0.000 1.029 751 E HN 0.696 nan 8.360 nan 0.000 0.419 752 H N 0.902 119.947 119.070 -0.041 0.000 3.064 752 H HA 0.523 5.079 4.556 -0.000 0.000 0.352 752 H C 0.551 175.865 175.328 -0.023 0.000 1.260 752 H CA -0.391 55.639 56.048 -0.029 0.000 1.160 752 H CB 0.732 30.474 29.762 -0.033 0.000 1.879 752 H HN 0.546 nan 8.280 nan 0.000 0.544 753 G N 1.305 110.152 108.800 0.078 0.000 2.660 753 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.321 753 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.321 753 G C 0.136 174.999 174.900 -0.061 0.000 1.246 753 G CA 0.859 45.975 45.100 0.027 0.000 1.000 753 G HN 0.854 nan 8.290 nan 0.000 0.550 754 D N 1.717 122.062 120.400 -0.092 0.000 2.593 754 D HA 0.348 4.988 4.640 -0.000 0.000 0.241 754 D C 0.828 177.054 176.300 -0.123 0.000 1.257 754 D CA 1.017 54.967 54.000 -0.082 0.000 0.828 754 D CB 0.572 41.349 40.800 -0.039 0.000 1.049 754 D HN 0.646 nan 8.370 nan 0.000 0.490 755 T N -1.270 113.136 114.554 -0.247 0.000 2.618 755 T HA 0.594 4.944 4.350 -0.000 0.000 0.286 755 T C -0.530 173.961 174.700 -0.348 0.000 1.027 755 T CA -0.746 61.202 62.100 -0.254 0.000 1.063 755 T CB 2.196 70.928 68.868 -0.227 0.000 1.440 755 T HN -0.005 nan 8.240 nan 0.000 0.505 756 I N 0.171 120.568 120.570 -0.288 0.000 2.569 756 I HA 0.680 4.849 4.170 -0.000 0.000 0.290 756 I C -1.444 174.474 176.117 -0.331 0.000 1.088 756 I CA -1.205 59.877 61.300 -0.364 0.000 1.047 756 I CB 1.558 39.312 38.000 -0.409 0.000 1.237 756 I HN 0.969 nan 8.210 nan 0.000 0.421 757 A N 7.068 129.728 122.820 -0.266 0.000 2.273 757 A HA 0.570 4.890 4.320 -0.000 0.000 0.320 757 A C -1.160 176.283 177.584 -0.235 0.000 1.358 757 A CA -0.308 51.672 52.037 -0.095 0.000 0.910 757 A CB -0.087 18.972 19.000 0.099 0.000 1.159 757 A HN 0.586 nan 8.150 nan 0.000 0.526 758 F N 4.114 124.058 119.950 -0.011 0.000 2.464 758 F HA 0.185 4.712 4.527 -0.000 0.000 0.353 758 F C 0.775 176.632 175.800 0.095 0.000 1.191 758 F CA -0.289 57.691 58.000 -0.033 0.000 1.147 758 F CB 0.347 39.326 39.000 -0.035 0.000 1.294 758 F HN 0.420 nan 8.300 nan 0.000 0.583 759 M N 2.864 122.546 119.600 0.135 0.000 2.250 759 M HA -0.002 4.477 4.480 -0.000 0.000 0.325 759 M C 0.521 176.974 176.300 0.255 0.000 1.084 759 M CA 0.381 55.766 55.300 0.141 0.000 1.161 759 M CB -0.010 32.598 32.600 0.013 0.000 1.481 759 M HN 0.426 nan 8.290 nan 0.000 0.449 760 H N -0.739 118.274 119.070 -0.095 0.000 2.469 760 H HA 0.334 4.890 4.556 -0.000 0.000 0.286 760 H C -0.143 175.089 175.328 -0.161 0.000 1.106 760 H CA -0.236 55.735 56.048 -0.130 0.000 1.055 760 H CB 0.327 29.973 29.762 -0.193 0.000 1.618 760 H HN 0.466 nan 8.280 nan 0.000 0.559 761 S N 1.028 116.697 115.700 -0.053 0.000 2.422 761 S HA 0.324 4.794 4.470 -0.000 0.000 0.298 761 S C -0.018 174.460 174.600 -0.204 0.000 1.118 761 S CA -0.601 57.532 58.200 -0.112 0.000 1.083 761 S CB 0.274 63.421 63.200 -0.089 0.000 0.971 761 S HN 0.070 nan 8.310 nan 0.000 0.478 762 V N 6.858 126.612 119.914 -0.266 0.000 2.455 762 V HA 0.299 4.419 4.120 -0.000 0.000 0.273 762 V C 0.201 176.140 176.094 -0.259 0.000 1.045 762 V CA -0.228 61.856 62.300 -0.360 0.000 0.976 762 V CB 0.928 32.379 31.823 -0.621 0.000 0.993 762 V HN 0.757 nan 8.190 nan 0.000 0.475 763 Q N 2.540 122.150 119.800 -0.316 0.000 2.348 763 Q HA 0.458 4.798 4.340 -0.000 0.000 0.271 763 Q C -1.093 174.868 176.000 -0.064 0.000 1.067 763 Q CA -1.022 54.648 55.803 -0.222 0.000 0.839 763 Q CB 2.134 30.669 28.738 -0.339 0.000 1.354 763 Q HN 0.589 nan 8.270 nan 0.000 0.447 764 D N 0.674 121.091 120.400 0.029 0.000 2.400 764 D HA 0.330 4.970 4.640 -0.000 0.000 0.238 764 D C 0.761 177.183 176.300 0.204 0.000 1.157 764 D CA 1.377 55.432 54.000 0.092 0.000 0.889 764 D CB 0.566 41.404 40.800 0.062 0.000 1.199 764 D HN 0.761 nan 8.370 nan 0.000 0.436 765 G N -0.366 108.530 108.800 0.161 0.000 2.746 765 G HA2 0.217 4.176 3.960 -0.000 0.000 0.685 765 G HA3 0.217 4.176 3.960 -0.000 0.000 0.685 765 G C -0.239 174.723 174.900 0.103 0.000 1.350 765 G CA -0.350 44.822 45.100 0.120 0.000 0.837 765 G HN 0.702 nan 8.290 nan 0.000 0.564 766 A N 0.170 122.972 122.820 -0.031 0.000 2.332 766 A HA 0.911 5.230 4.320 -0.000 0.000 0.258 766 A C 1.147 178.511 177.584 -0.368 0.000 1.087 766 A CA 1.119 53.120 52.037 -0.059 0.000 0.802 766 A CB 0.407 19.442 19.000 0.058 0.000 1.042 766 A HN 2.616 nan 8.150 nan 0.000 0.489 767 A N 0.502 123.205 122.820 -0.195 0.000 2.407 767 A HA 0.484 4.804 4.320 -0.000 0.000 0.248 767 A C 1.067 178.614 177.584 -0.062 0.000 1.082 767 A CA 0.307 52.216 52.037 -0.213 0.000 0.785 767 A CB -0.007 19.061 19.000 0.113 0.000 1.020 767 A HN 1.774 nan 8.150 nan 0.000 0.489 768 S N 0.186 115.830 115.700 -0.093 0.000 2.629 768 S HA 0.331 4.801 4.470 -0.000 0.000 0.236 768 S C 0.122 174.645 174.600 -0.129 0.000 1.010 768 S CA -0.305 57.832 58.200 -0.105 0.000 0.981 768 S CB -0.069 63.084 63.200 -0.077 0.000 0.919 768 S HN 0.636 nan 8.310 nan 0.000 0.514 769 K N 1.568 121.912 120.400 -0.094 0.000 2.498 769 K HA 0.548 4.868 4.320 -0.000 0.000 0.254 769 K C -1.029 175.428 176.600 -0.239 0.000 0.933 769 K CA -0.410 55.741 56.287 -0.227 0.000 0.806 769 K CB 2.303 34.623 32.500 -0.299 0.000 1.301 769 K HN 0.268 nan 8.250 nan 0.000 0.432 770 S N 0.730 116.219 115.700 -0.351 0.000 2.621 770 S HA 0.470 4.940 4.470 -0.000 0.000 0.302 770 S C -0.312 174.006 174.600 -0.469 0.000 1.093 770 S CA -0.377 57.699 58.200 -0.207 0.000 1.017 770 S CB 0.668 63.825 63.200 -0.072 0.000 1.077 770 S HN 0.701 nan 8.310 nan 0.000 0.517 771 Y N 0.079 120.433 120.300 0.090 0.000 2.610 771 Y HA 0.350 4.900 4.550 -0.000 0.000 0.254 771 Y C 2.224 178.189 175.900 0.110 0.000 1.110 771 Y CA -0.227 57.940 58.100 0.111 0.000 1.238 771 Y CB 0.028 38.616 38.460 0.213 0.000 1.322 771 Y HN 0.822 nan 8.280 nan 0.000 0.547 772 G N 0.872 109.783 108.800 0.184 0.000 2.442 772 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.219 772 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.219 772 G C 1.502 176.455 174.900 0.087 0.000 1.141 772 G CA 1.130 46.303 45.100 0.122 0.000 0.763 772 G HN 0.339 nan 8.290 nan 0.000 0.554 773 L N 0.281 121.538 121.223 0.057 0.000 2.179 773 L HA 0.077 4.417 4.340 -0.000 0.000 0.208 773 L C 3.316 180.214 176.870 0.046 0.000 1.096 773 L CA 0.781 55.642 54.840 0.035 0.000 0.779 773 L CB -0.390 41.672 42.059 0.004 0.000 0.922 773 L HN 0.307 nan 8.230 nan 0.000 0.443 774 A N -0.135 122.728 122.820 0.072 0.000 1.930 774 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 774 A C 2.317 179.958 177.584 0.095 0.000 1.175 774 A CA 1.248 53.333 52.037 0.081 0.000 0.627 774 A CB -0.561 18.512 19.000 0.121 0.000 0.815 774 A HN 0.178 nan 8.150 nan 0.000 0.443 775 V N -0.144 119.853 119.914 0.139 0.000 2.358 775 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 775 V C 3.040 179.181 176.094 0.078 0.000 1.047 775 V CA 1.696 64.075 62.300 0.132 0.000 1.035 775 V CB -1.173 30.752 31.823 0.171 0.000 0.658 775 V HN 0.598 nan 8.190 nan 0.000 0.452 776 A N 0.314 123.172 122.820 0.063 0.000 1.883 776 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 776 A C 2.463 180.065 177.584 0.031 0.000 1.186 776 A CA 2.394 54.455 52.037 0.039 0.000 0.624 776 A CB -0.933 18.085 19.000 0.031 0.000 0.822 776 A HN 0.577 nan 8.150 nan 0.000 0.444 777 A N -0.278 122.560 122.820 0.030 0.000 1.883 777 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 777 A C 2.172 179.767 177.584 0.018 0.000 1.186 777 A CA 1.652 53.701 52.037 0.020 0.000 0.624 777 A CB -0.715 18.294 19.000 0.016 0.000 0.822 777 A HN 0.499 nan 8.150 nan 0.000 0.444 778 L N -1.011 120.227 121.223 0.025 0.000 2.191 778 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 778 L C 2.794 179.676 176.870 0.020 0.000 1.103 778 L CA 0.922 55.773 54.840 0.019 0.000 0.769 778 L CB -0.421 41.653 42.059 0.025 0.000 0.908 778 L HN 0.455 nan 8.230 nan 0.000 0.438 779 A N -0.634 122.202 122.820 0.026 0.000 2.208 779 A HA 0.278 4.598 4.320 -0.000 0.000 0.209 779 A C 1.733 179.327 177.584 0.016 0.000 1.161 779 A CA 0.821 52.871 52.037 0.022 0.000 0.782 779 A CB -0.281 18.734 19.000 0.025 0.000 0.816 779 A HN 0.525 nan 8.150 nan 0.000 0.477 780 G N -1.690 107.118 108.800 0.013 0.000 2.159 780 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.227 780 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.227 780 G C 0.187 175.092 174.900 0.009 0.000 0.986 780 G CA -0.047 45.059 45.100 0.010 0.000 0.651 780 G HN 0.722 nan 8.290 nan 0.000 0.523 781 V N 2.697 122.618 119.914 0.011 0.000 2.509 781 V HA 0.200 4.320 4.120 -0.000 0.000 0.297 781 V C -0.897 175.201 176.094 0.007 0.000 1.014 781 V CA -0.225 62.081 62.300 0.009 0.000 1.127 781 V CB 0.548 32.378 31.823 0.012 0.000 0.925 781 V HN 0.243 nan 8.190 nan 0.000 0.480 782 P HA -0.032 nan 4.420 nan 0.000 0.266 782 P C 0.772 178.074 177.300 0.003 0.000 1.186 782 P CA 0.130 63.232 63.100 0.003 0.000 0.767 782 P CB 0.543 32.245 31.700 0.003 0.000 0.820 783 K N 2.249 122.650 120.400 0.002 0.000 2.063 783 K HA -0.251 4.069 4.320 -0.000 0.000 0.208 783 K C 1.770 178.369 176.600 -0.000 0.000 1.048 783 K CA 1.658 57.945 56.287 0.001 0.000 0.928 783 K CB -0.130 32.370 32.500 -0.000 0.000 0.713 783 K HN 0.323 nan 8.250 nan 0.000 0.442 784 E N 0.270 120.470 120.200 -0.000 0.000 2.110 784 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 784 E C 1.703 178.302 176.600 -0.001 0.000 0.988 784 E CA 1.247 57.646 56.400 -0.001 0.000 0.804 784 E CB -0.141 29.558 29.700 -0.001 0.000 0.745 784 E HN 0.145 nan 8.360 nan 0.000 0.458 785 V N 0.523 120.437 119.914 -0.000 0.000 2.295 785 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 785 V C 2.379 178.474 176.094 0.000 0.000 1.049 785 V CA 1.934 64.235 62.300 0.000 0.000 1.024 785 V CB -0.453 31.371 31.823 0.002 0.000 0.648 785 V HN 0.295 nan 8.190 nan 0.000 0.447 786 I N -0.465 120.106 120.570 0.001 0.000 2.208 786 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 786 I C 2.520 178.635 176.117 -0.003 0.000 1.097 786 I CA 1.696 62.996 61.300 0.000 0.000 1.363 786 I CB -0.394 37.607 38.000 0.002 0.000 1.051 786 I HN 0.213 nan 8.210 nan 0.000 0.413 787 K N 0.310 120.708 120.400 -0.004 0.000 2.063 787 K HA -0.231 4.089 4.320 -0.000 0.000 0.208 787 K C 2.306 178.902 176.600 -0.007 0.000 1.048 787 K CA 1.493 57.776 56.287 -0.006 0.000 0.928 787 K CB -0.035 32.462 32.500 -0.006 0.000 0.713 787 K HN -0.001 nan 8.250 nan 0.000 0.442 788 R N -0.016 120.482 120.500 -0.005 0.000 2.092 788 R HA -0.032 4.308 4.340 -0.000 0.000 0.231 788 R C 1.950 178.247 176.300 -0.005 0.000 1.119 788 R CA 1.516 57.613 56.100 -0.005 0.000 0.970 788 R CB -0.377 29.921 30.300 -0.003 0.000 0.864 788 R HN 0.267 nan 8.270 nan 0.000 0.440 789 A N -0.117 122.701 122.820 -0.004 0.000 1.930 789 A HA -0.123 4.196 4.320 -0.000 0.000 0.217 789 A C 2.090 179.669 177.584 -0.007 0.000 1.175 789 A CA 1.446 53.481 52.037 -0.003 0.000 0.627 789 A CB -0.376 18.625 19.000 0.000 0.000 0.815 789 A HN 0.181 nan 8.150 nan 0.000 0.443 790 R N -0.042 120.452 120.500 -0.011 0.000 2.081 790 R HA -0.163 4.176 4.340 -0.000 0.000 0.235 790 R C 2.322 178.611 176.300 -0.017 0.000 1.131 790 R CA 2.153 58.242 56.100 -0.018 0.000 0.960 790 R CB -0.613 29.675 30.300 -0.020 0.000 0.856 790 R HN 0.696 nan 8.270 nan 0.000 0.436 791 Q N -0.222 119.570 119.800 -0.013 0.000 2.050 791 Q HA -0.216 4.123 4.340 -0.000 0.000 0.202 791 Q C 1.633 177.628 176.000 -0.009 0.000 0.980 791 Q CA 1.975 57.771 55.803 -0.011 0.000 0.840 791 Q CB -0.099 28.634 28.738 -0.009 0.000 0.898 791 Q HN 0.041 nan 8.270 nan 0.000 0.424 792 K N 0.146 120.542 120.400 -0.007 0.000 2.148 792 K HA -0.127 4.193 4.320 -0.000 0.000 0.204 792 K C 1.766 178.364 176.600 -0.002 0.000 1.050 792 K CA 0.754 57.039 56.287 -0.004 0.000 0.942 792 K CB -0.412 32.086 32.500 -0.002 0.000 0.724 792 K HN 0.258 nan 8.250 nan 0.000 0.446 793 L N 0.900 122.119 121.223 -0.006 0.000 2.044 793 L HA 0.035 4.375 4.340 -0.000 0.000 0.205 793 L C 2.362 179.224 176.870 -0.013 0.000 1.075 793 L CA 1.722 56.558 54.840 -0.007 0.000 0.747 793 L CB -0.735 41.314 42.059 -0.017 0.000 0.903 793 L HN 0.218 nan 8.230 nan 0.000 0.435 794 R N -0.287 120.200 120.500 -0.021 0.000 2.096 794 R HA -0.271 4.069 4.340 -0.000 0.000 0.240 794 R C 2.323 178.616 176.300 -0.011 0.000 1.139 794 R CA 2.152 58.237 56.100 -0.023 0.000 0.952 794 R CB -0.449 29.836 30.300 -0.024 0.000 0.854 794 R HN 0.605 nan 8.270 nan 0.000 0.436 795 E N 0.181 120.378 120.200 -0.005 0.000 2.085 795 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 795 E C 2.054 178.661 176.600 0.011 0.000 0.994 795 E CA 1.496 57.897 56.400 0.002 0.000 0.801 795 E CB -0.081 29.620 29.700 0.001 0.000 0.743 795 E HN 0.447 nan 8.360 nan 0.000 0.453 796 L N 0.280 121.512 121.223 0.015 0.000 2.072 796 L HA -0.124 4.216 4.340 -0.000 0.000 0.205 796 L C 2.356 179.254 176.870 0.047 0.000 1.079 796 L CA 1.299 56.159 54.840 0.032 0.000 0.752 796 L CB -0.176 41.903 42.059 0.034 0.000 0.906 796 L HN 0.147 nan 8.230 nan 0.000 0.436 797 E N -0.849 119.369 120.200 0.029 0.000 2.158 797 E HA -0.098 4.252 4.350 -0.000 0.000 0.191 797 E C 2.210 178.825 176.600 0.025 0.000 0.982 797 E CA 0.870 57.287 56.400 0.028 0.000 0.823 797 E CB 0.106 29.791 29.700 -0.024 0.000 0.766 797 E HN 0.283 nan 8.360 nan 0.000 0.468 798 S N 0.815 116.522 115.700 0.012 0.000 2.447 798 S HA -0.053 4.417 4.470 -0.000 0.000 0.233 798 S C 1.911 176.526 174.600 0.024 0.000 1.006 798 S CA 0.547 58.753 58.200 0.010 0.000 0.957 798 S CB -0.067 63.134 63.200 0.001 0.000 0.773 798 S HN 0.197 nan 8.310 nan 0.000 0.507 799 I N 0.553 121.143 120.570 0.034 0.000 2.315 799 I HA -0.078 4.092 4.170 -0.000 0.000 0.248 799 I C 1.690 177.834 176.117 0.045 0.000 1.117 799 I CA 0.405 61.728 61.300 0.039 0.000 1.404 799 I CB -0.205 37.826 38.000 0.051 0.000 1.071 799 I HN 0.145 nan 8.210 nan 0.000 0.419 800 S N 0.000 115.738 115.700 0.064 0.000 2.498 800 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 800 S CA 0.000 58.249 58.200 0.082 0.000 1.107 800 S CB 0.000 63.277 63.200 0.128 0.000 0.593 800 S HN 0.000 nan 8.310 nan 0.000 0.517