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 1hk8_1_A DATA FIRST_RESID 26 DATA SEQUENCE DSRVFPTQRD LMAGIVSKHI AKNMVPSFIM KAHESGIIHV HDIDYSPALP DATA SEQUENCE FTNCCLVDLK GMLENGFKLG NAQIETPKSI GVATAIMAQI TAQVASHQYG DATA SEQUENCE GTTFANVDKV LSPYVKRTYA KHIEDAEKWQ IADALNYAQS KTEKDVYDAF DATA SEQUENCE QAYEYEVNTL FSSNGQTPFV TITFGTGTDW TERMIQKAIL KNRIKGLGRD DATA SEQUENCE GITPIFPKLV MFVEEGVNLY KDDPNYDIKQ LALECASKRM YPDIISAKNN DATA SEQUENCE KAITGSSVPV SPMGCRSFLS VWKDSTGNEI LDGRNNLGVV TLNLPRIALD DATA SEQUENCE SYIGTQFNEQ KFVELFNERM DLCFEALMCR ISSLKGVKAT VAPILYQEGA DATA SEQUENCE FGVRLKPDDD IIELFKNGRS SVSLGYIGIH ELNILVGRDI GREILTKMNA DATA SEQUENCE HLKQWTERTG FAFSLYSTPA ENLCYRFCKL DTEKYGSVKD VTDKGWYTNS DATA SEQUENCE FHVSVEENIT PFEKISREAP YHFIATGGHI SYVELPDMKN NLKGLEAVWD DATA SEQUENCE YAAQHLDYFG VNMPVDKCFT CGSTHEMTPT ENGFVCSICG ETDPKKMNTI DATA SEQUENCE RRTCAYLGNP N 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 26 D HA 0.000 nan 4.640 nan 0.000 0.175 26 D C 0.000 176.251 176.300 -0.082 0.000 2.045 26 D CA 0.000 53.944 54.000 -0.093 0.000 0.868 26 D CB 0.000 40.762 40.800 -0.063 0.000 0.688 27 S N -2.150 113.505 115.700 -0.076 0.000 5.984 27 S HA 0.155 4.625 4.470 -0.000 0.000 0.117 27 S C 0.493 175.052 174.600 -0.067 0.000 1.161 27 S CA 0.034 58.195 58.200 -0.065 0.000 1.393 27 S CB -0.156 63.009 63.200 -0.059 0.000 1.908 27 S HN 0.169 nan 8.310 nan 0.000 0.533 28 R N 1.996 122.447 120.500 -0.082 0.000 2.317 28 R HA 0.327 4.667 4.340 -0.000 0.000 0.208 28 R C -0.142 176.051 176.300 -0.177 0.000 0.914 28 R CA 0.157 56.190 56.100 -0.111 0.000 1.060 28 R CB 0.056 30.291 30.300 -0.109 0.000 1.015 28 R HN 0.263 nan 8.270 nan 0.000 0.498 29 V N 1.817 121.651 119.914 -0.133 0.000 2.637 29 V HA -0.053 4.067 4.120 -0.000 0.000 0.296 29 V C 1.238 177.299 176.094 -0.055 0.000 1.046 29 V CA 0.116 62.340 62.300 -0.128 0.000 1.066 29 V CB 0.590 32.393 31.823 -0.033 0.000 0.968 29 V HN 0.151 nan 8.190 nan 0.000 0.483 30 F N 5.763 125.737 119.950 0.040 0.000 2.065 30 F HA -0.078 4.449 4.527 -0.000 0.000 0.298 30 F C -0.129 175.688 175.800 0.028 0.000 1.112 30 F CA 2.032 60.051 58.000 0.031 0.000 1.212 30 F CB -1.798 37.226 39.000 0.040 0.000 0.975 30 F HN 0.512 nan 8.300 nan 0.000 0.476 31 P HA -0.073 nan 4.420 nan 0.000 0.219 31 P C 1.559 178.899 177.300 0.067 0.000 1.150 31 P CA 1.736 64.926 63.100 0.150 0.000 0.814 31 P CB -0.284 31.524 31.700 0.180 0.000 0.787 32 T N -0.475 114.096 114.554 0.027 0.000 2.821 32 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 32 T C 1.856 176.556 174.700 -0.001 0.000 1.046 32 T CA 1.107 63.195 62.100 -0.021 0.000 1.139 32 T CB -0.502 68.328 68.868 -0.064 0.000 0.871 32 T HN 0.199 nan 8.240 nan 0.000 0.454 33 Q N 0.609 120.428 119.800 0.031 0.000 2.079 33 Q HA 0.000 4.340 4.340 -0.000 0.000 0.200 33 Q C 2.649 178.670 176.000 0.036 0.000 0.974 33 Q CA 0.891 56.715 55.803 0.035 0.000 0.840 33 Q CB -0.154 28.626 28.738 0.071 0.000 0.898 33 Q HN 0.413 nan 8.270 nan 0.000 0.430 34 R N 0.783 121.317 120.500 0.058 0.000 2.081 34 R HA -0.148 4.192 4.340 -0.000 0.000 0.235 34 R C 1.787 178.089 176.300 0.002 0.000 1.131 34 R CA 1.601 57.722 56.100 0.034 0.000 0.960 34 R CB -0.602 29.725 30.300 0.046 0.000 0.856 34 R HN 0.391 nan 8.270 nan 0.000 0.436 35 D N 0.611 121.009 120.400 -0.004 0.000 2.117 35 D HA -0.083 4.557 4.640 -0.000 0.000 0.198 35 D C 2.050 178.305 176.300 -0.074 0.000 0.982 35 D CA 0.677 54.653 54.000 -0.040 0.000 0.828 35 D CB 0.040 40.824 40.800 -0.026 0.000 0.967 35 D HN 0.081 nan 8.370 nan 0.000 0.464 36 L N -0.205 120.988 121.223 -0.050 0.000 2.131 36 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 36 L C 2.487 179.324 176.870 -0.054 0.000 1.092 36 L CA 0.776 55.583 54.840 -0.055 0.000 0.759 36 L CB -0.352 41.686 42.059 -0.036 0.000 0.903 36 L HN 0.268 nan 8.230 nan 0.000 0.435 37 M N -0.863 118.714 119.600 -0.039 0.000 2.132 37 M HA -0.171 4.308 4.480 -0.000 0.000 0.263 37 M C 2.506 178.774 176.300 -0.053 0.000 1.065 37 M CA 1.901 57.180 55.300 -0.036 0.000 1.122 37 M CB -0.475 32.113 32.600 -0.020 0.000 1.365 37 M HN 0.281 nan 8.290 nan 0.000 0.411 38 A N 0.499 123.280 122.820 -0.066 0.000 1.930 38 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 38 A C 2.351 179.856 177.584 -0.132 0.000 1.175 38 A CA 1.760 53.747 52.037 -0.083 0.000 0.627 38 A CB -1.483 17.468 19.000 -0.081 0.000 0.815 38 A HN 0.548 nan 8.150 nan 0.000 0.443 39 G N 0.022 108.716 108.800 -0.177 0.000 2.422 39 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.218 39 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.218 39 G C 1.342 176.175 174.900 -0.112 0.000 1.146 39 G CA 1.189 46.165 45.100 -0.206 0.000 0.769 39 G HN 0.351 nan 8.290 nan 0.000 0.547 40 I N 0.850 121.377 120.570 -0.071 0.000 2.233 40 I HA -0.059 4.111 4.170 -0.000 0.000 0.243 40 I C 2.983 179.094 176.117 -0.010 0.000 1.093 40 I CA 0.421 61.701 61.300 -0.032 0.000 1.380 40 I CB -1.082 36.902 38.000 -0.027 0.000 1.067 40 I HN 0.029 nan 8.210 nan 0.000 0.413 41 V N 0.361 120.257 119.914 -0.031 0.000 2.490 41 V HA -0.234 3.886 4.120 -0.000 0.000 0.250 41 V C 2.539 178.643 176.094 0.017 0.000 1.061 41 V CA 1.801 64.087 62.300 -0.023 0.000 1.064 41 V CB -0.689 31.108 31.823 -0.044 0.000 0.670 41 V HN 0.358 nan 8.190 nan 0.000 0.461 42 S N -0.879 114.811 115.700 -0.017 0.000 2.395 42 S HA -0.112 4.358 4.470 -0.000 0.000 0.225 42 S C 1.981 176.577 174.600 -0.006 0.000 1.027 42 S CA 0.966 59.158 58.200 -0.013 0.000 0.965 42 S CB -0.149 63.014 63.200 -0.063 0.000 0.812 42 S HN 0.566 nan 8.310 nan 0.000 0.482 43 K N 0.474 120.864 120.400 -0.016 0.000 2.097 43 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 43 K C 2.148 178.754 176.600 0.011 0.000 1.049 43 K CA 1.150 57.425 56.287 -0.020 0.000 0.933 43 K CB -0.228 32.261 32.500 -0.018 0.000 0.717 43 K HN 0.398 nan 8.250 nan 0.000 0.442 44 H N 0.943 119.988 119.070 -0.041 0.000 2.357 44 H HA -0.023 4.532 4.556 -0.000 0.000 0.301 44 H C 1.922 177.233 175.328 -0.029 0.000 1.082 44 H CA 1.381 57.410 56.048 -0.030 0.000 1.342 44 H CB 0.082 29.830 29.762 -0.025 0.000 1.389 44 H HN 0.132 nan 8.280 nan 0.000 0.511 45 I N 0.659 121.315 120.570 0.143 0.000 2.315 45 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 45 I C 2.857 178.972 176.117 -0.003 0.000 1.117 45 I CA 0.872 62.222 61.300 0.083 0.000 1.404 45 I CB -0.361 37.684 38.000 0.075 0.000 1.071 45 I HN 0.235 nan 8.210 nan 0.000 0.419 46 A N 0.441 123.245 122.820 -0.027 0.000 1.972 46 A HA -0.234 4.085 4.320 -0.000 0.000 0.219 46 A C 2.210 179.738 177.584 -0.094 0.000 1.169 46 A CA 1.576 53.575 52.037 -0.064 0.000 0.635 46 A CB -0.352 18.596 19.000 -0.087 0.000 0.810 46 A HN 0.189 nan 8.150 nan 0.000 0.446 47 K N 0.291 120.622 120.400 -0.114 0.000 2.211 47 K HA -0.061 4.259 4.320 -0.000 0.000 0.203 47 K C 1.331 177.857 176.600 -0.123 0.000 1.050 47 K CA 1.714 57.918 56.287 -0.138 0.000 0.945 47 K CB -0.323 32.059 32.500 -0.197 0.000 0.732 47 K HN 0.722 nan 8.250 nan 0.000 0.451 48 N N -1.225 117.409 118.700 -0.110 0.000 2.422 48 N HA 0.074 4.814 4.740 -0.000 0.000 0.181 48 N C 1.236 176.720 175.510 -0.044 0.000 1.080 48 N CA 0.436 53.444 53.050 -0.069 0.000 0.893 48 N CB 0.214 38.675 38.487 -0.043 0.000 0.973 48 N HN 0.092 nan 8.380 nan 0.000 0.456 49 M N 0.010 119.580 119.600 -0.049 0.000 2.615 49 M HA 0.140 4.620 4.480 -0.000 0.000 0.262 49 M C -0.150 176.114 176.300 -0.060 0.000 1.198 49 M CA 0.360 55.636 55.300 -0.041 0.000 1.165 49 M CB 1.014 33.594 32.600 -0.033 0.000 1.310 49 M HN -0.165 nan 8.290 nan 0.000 0.494 50 V N 2.374 122.236 119.914 -0.086 0.000 2.407 50 V HA 0.253 4.373 4.120 -0.000 0.000 0.278 50 V C -2.196 173.822 176.094 -0.127 0.000 1.037 50 V CA -1.732 60.493 62.300 -0.124 0.000 0.900 50 V CB 0.510 32.239 31.823 -0.158 0.000 0.983 50 V HN 0.087 nan 8.190 nan 0.000 0.459 51 P HA 0.009 nan 4.420 nan 0.000 0.263 51 P C 1.095 178.303 177.300 -0.153 0.000 1.175 51 P CA 0.467 63.505 63.100 -0.103 0.000 0.761 51 P CB 0.567 32.213 31.700 -0.090 0.000 0.794 52 S N 2.709 118.402 115.700 -0.013 0.000 2.381 52 S HA -0.239 4.231 4.470 -0.000 0.000 0.230 52 S C 1.541 176.155 174.600 0.023 0.000 1.052 52 S CA 2.009 60.218 58.200 0.014 0.000 1.068 52 S CB -0.881 62.362 63.200 0.072 0.000 0.918 52 S HN 0.611 nan 8.310 nan 0.000 0.448 53 F N 0.451 120.401 119.950 0.001 0.000 2.293 53 F HA 0.114 4.641 4.527 -0.000 0.000 0.300 53 F C 1.769 177.580 175.800 0.018 0.000 1.086 53 F CA 0.687 58.693 58.000 0.010 0.000 1.375 53 F CB -0.673 38.332 39.000 0.008 0.000 1.045 53 F HN 0.195 nan 8.300 nan 0.000 0.516 54 I N -0.339 119.796 120.570 -0.727 0.000 2.277 54 I HA -0.197 3.973 4.170 -0.000 0.000 0.243 54 I C 2.497 178.497 176.117 -0.195 0.000 1.094 54 I CA 0.771 61.764 61.300 -0.512 0.000 1.393 54 I CB -0.407 37.209 38.000 -0.641 0.000 1.078 54 I HN 0.133 nan 8.210 nan 0.000 0.417 55 M N 0.570 120.067 119.600 -0.172 0.000 2.080 55 M HA -0.247 4.233 4.480 -0.000 0.000 0.260 55 M C 2.300 178.616 176.300 0.027 0.000 1.068 55 M CA 1.910 57.170 55.300 -0.065 0.000 1.109 55 M CB -1.006 31.549 32.600 -0.074 0.000 1.342 55 M HN -0.001 nan 8.290 nan 0.000 0.405 56 K N -0.050 120.362 120.400 0.021 0.000 2.063 56 K HA -0.053 4.267 4.320 -0.000 0.000 0.208 56 K C 1.928 178.573 176.600 0.075 0.000 1.048 56 K CA 1.690 58.010 56.287 0.055 0.000 0.928 56 K CB -0.501 32.040 32.500 0.068 0.000 0.713 56 K HN 0.361 nan 8.250 nan 0.000 0.442 57 A N -0.467 122.401 122.820 0.080 0.000 1.972 57 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 57 A C 2.020 179.678 177.584 0.124 0.000 1.169 57 A CA 1.984 54.080 52.037 0.098 0.000 0.635 57 A CB -0.734 18.325 19.000 0.098 0.000 0.810 57 A HN 0.549 nan 8.150 nan 0.000 0.446 58 H N 0.108 119.191 119.070 0.022 0.000 2.333 58 H HA -0.049 4.507 4.556 -0.000 0.000 0.302 58 H C 1.928 177.290 175.328 0.055 0.000 1.075 58 H CA 1.599 57.663 56.048 0.028 0.000 1.348 58 H CB 0.041 29.762 29.762 -0.069 0.000 1.393 58 H HN 0.431 nan 8.280 nan 0.000 0.509 59 E N 0.219 120.447 120.200 0.045 0.000 2.118 59 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 59 E C 2.249 178.848 176.600 -0.002 0.000 0.992 59 E CA 1.430 57.829 56.400 -0.002 0.000 0.804 59 E CB -0.410 29.316 29.700 0.043 0.000 0.741 59 E HN 0.658 nan 8.360 nan 0.000 0.458 60 S N -0.777 114.945 115.700 0.036 0.000 2.528 60 S HA 0.243 4.713 4.470 -0.000 0.000 0.219 60 S C 1.593 176.245 174.600 0.087 0.000 0.985 60 S CA 0.614 58.848 58.200 0.055 0.000 0.914 60 S CB 0.381 63.617 63.200 0.060 0.000 0.776 60 S HN 0.367 nan 8.310 nan 0.000 0.526 61 G N 1.267 110.136 108.800 0.114 0.000 2.132 61 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.234 61 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.234 61 G C 0.561 175.509 174.900 0.080 0.000 0.989 61 G CA 0.242 45.485 45.100 0.238 0.000 0.676 61 G HN 0.424 nan 8.290 nan 0.000 0.522 62 I N 0.686 121.301 120.570 0.074 0.000 2.179 62 I HA 0.085 4.254 4.170 -0.000 0.000 0.242 62 I C 2.012 178.141 176.117 0.021 0.000 1.088 62 I CA 2.073 63.388 61.300 0.026 0.000 1.357 62 I CB -0.907 37.136 38.000 0.071 0.000 1.051 62 I HN 0.667 nan 8.210 nan 0.000 0.409 63 I N -2.678 117.989 120.570 0.161 0.000 3.445 63 I HA 0.510 4.680 4.170 -0.000 0.000 0.303 63 I C -0.618 175.807 176.117 0.513 0.000 1.129 63 I CA -0.806 60.672 61.300 0.297 0.000 0.989 63 I CB 2.426 40.563 38.000 0.227 0.000 1.314 63 I HN -0.065 nan 8.210 nan 0.000 0.488 64 H N 0.780 120.085 119.070 0.392 0.000 3.108 64 H HA 0.557 5.113 4.556 -0.000 0.000 0.329 64 H C -1.747 173.664 175.328 0.138 0.000 0.978 64 H CA -0.386 55.798 56.048 0.228 0.000 1.413 64 H CB 1.704 31.377 29.762 -0.148 0.000 1.670 64 H HN 0.490 nan 8.280 nan 0.000 0.512 65 V N 6.454 126.322 119.914 -0.078 0.000 2.389 65 V HA 0.102 4.222 4.120 -0.000 0.000 0.264 65 V C 0.609 176.478 176.094 -0.375 0.000 1.049 65 V CA -0.416 61.755 62.300 -0.215 0.000 0.932 65 V CB -0.011 31.604 31.823 -0.346 0.000 1.011 65 V HN 0.799 nan 8.190 nan 0.000 0.475 66 H N 4.477 123.509 119.070 -0.062 0.000 2.615 66 H HA 0.118 4.674 4.556 -0.000 0.000 0.363 66 H C 0.488 175.708 175.328 -0.179 0.000 1.148 66 H CA 0.326 56.373 56.048 -0.001 0.000 1.401 66 H CB 0.757 30.591 29.762 0.120 0.000 1.461 66 H HN 0.788 nan 8.280 nan 0.000 0.588 67 D N 1.492 121.850 120.400 -0.071 0.000 2.800 67 D HA -0.213 4.427 4.640 -0.000 0.000 0.232 67 D C 1.137 177.298 176.300 -0.232 0.000 1.137 67 D CA 0.315 54.144 54.000 -0.286 0.000 0.718 67 D CB -1.132 39.066 40.800 -1.004 0.000 1.084 67 D HN 0.435 nan 8.370 nan 0.000 0.432 68 I N 1.420 121.886 120.570 -0.173 0.000 2.676 68 I HA -0.197 3.973 4.170 -0.000 0.000 0.259 68 I C 1.964 178.015 176.117 -0.111 0.000 1.194 68 I CA 1.478 62.673 61.300 -0.175 0.000 1.473 68 I CB 0.077 37.909 38.000 -0.280 0.000 1.096 68 I HN 0.067 nan 8.210 nan 0.000 0.443 69 D N -1.298 119.047 120.400 -0.092 0.000 2.378 69 D HA -0.214 4.426 4.640 -0.000 0.000 0.227 69 D C 1.348 177.459 176.300 -0.316 0.000 1.012 69 D CA 1.224 55.128 54.000 -0.159 0.000 0.905 69 D CB -0.304 40.397 40.800 -0.165 0.000 0.895 69 D HN 0.434 nan 8.370 nan 0.000 0.532 70 Y N -0.002 120.205 120.300 -0.156 0.000 2.678 70 Y HA 0.216 4.766 4.550 -0.000 0.000 0.274 70 Y C 1.256 177.227 175.900 0.117 0.000 1.114 70 Y CA -0.039 57.999 58.100 -0.103 0.000 1.274 70 Y CB 0.429 38.664 38.460 -0.374 0.000 1.438 70 Y HN -0.079 nan 8.280 nan 0.000 0.493 71 S N 1.344 117.153 115.700 0.182 0.000 2.513 71 S HA 0.390 4.860 4.470 -0.000 0.000 0.299 71 S C -2.558 172.065 174.600 0.037 0.000 1.087 71 S CA -1.868 56.445 58.200 0.188 0.000 1.012 71 S CB 1.607 64.959 63.200 0.254 0.000 1.044 71 S HN -0.024 nan 8.310 nan 0.000 0.485 72 P HA 0.301 nan 4.420 nan 0.000 0.254 72 P C 0.728 178.076 177.300 0.079 0.000 1.494 72 P CA -0.109 63.032 63.100 0.068 0.000 0.961 72 P CB 0.045 31.753 31.700 0.013 0.000 1.493 73 A N 0.180 123.054 122.820 0.089 0.000 1.930 73 A HA 0.012 4.332 4.320 -0.000 0.000 0.217 73 A C 1.145 178.790 177.584 0.100 0.000 1.175 73 A CA 1.064 53.148 52.037 0.078 0.000 0.627 73 A CB -0.580 18.460 19.000 0.067 0.000 0.815 73 A HN 0.255 nan 8.150 nan 0.000 0.443 74 L N -0.848 120.482 121.223 0.179 0.000 2.354 74 L HA 0.359 4.699 4.340 -0.000 0.000 0.269 74 L C -2.240 174.712 176.870 0.137 0.000 1.005 74 L CA -2.210 52.699 54.840 0.115 0.000 0.819 74 L CB 2.355 44.463 42.059 0.082 0.000 1.311 74 L HN -0.054 nan 8.230 nan 0.000 0.423 75 P HA 0.066 nan 4.420 nan 0.000 0.237 75 P C -0.305 177.049 177.300 0.090 0.000 1.723 75 P CA -0.096 63.044 63.100 0.066 0.000 0.882 75 P CB -0.517 31.201 31.700 0.031 0.000 1.810 76 F N 1.224 121.296 119.950 0.204 0.000 2.496 76 F HA 0.123 4.650 4.527 -0.000 0.000 0.344 76 F C 2.005 177.843 175.800 0.064 0.000 1.155 76 F CA 0.639 58.744 58.000 0.174 0.000 1.302 76 F CB 0.261 39.443 39.000 0.304 0.000 1.159 76 F HN 0.015 nan 8.300 nan 0.000 0.595 77 T N -1.362 113.249 114.554 0.094 0.000 2.870 77 T HA 0.370 4.720 4.350 -0.000 0.000 0.277 77 T C 0.246 174.491 174.700 -0.759 0.000 1.000 77 T CA -0.707 61.261 62.100 -0.220 0.000 0.982 77 T CB 1.750 70.532 68.868 -0.144 0.000 1.249 77 T HN 0.503 nan 8.240 nan 0.000 0.589 78 N N -0.663 117.613 118.700 -0.706 0.000 2.269 78 N HA 0.196 4.936 4.740 -0.000 0.000 0.236 78 N C 0.465 175.683 175.510 -0.487 0.000 1.101 78 N CA 0.550 53.098 53.050 -0.836 0.000 1.155 78 N CB -0.297 37.982 38.487 -0.348 0.000 1.526 78 N HN 1.009 nan 8.380 nan 0.000 0.582 79 C N -0.553 118.534 119.300 -0.355 0.000 2.564 79 C HA 0.928 5.388 4.460 -0.000 0.000 0.381 79 C C 0.349 175.160 174.990 -0.299 0.000 1.297 79 C CA -1.238 57.590 59.018 -0.317 0.000 1.846 79 C CB 0.359 27.916 27.740 -0.304 0.000 2.198 79 C HN 0.754 nan 8.230 nan 0.000 0.507 80 C N -0.567 118.562 119.300 -0.284 0.000 3.312 80 C HA 0.679 5.139 4.460 -0.000 0.000 0.332 80 C C -1.219 173.612 174.990 -0.264 0.000 1.340 80 C CA -0.863 57.994 59.018 -0.269 0.000 1.265 80 C CB 0.044 27.695 27.740 -0.150 0.000 1.563 80 C HN 1.078 nan 8.230 nan 0.000 0.471 81 L N 2.661 123.743 121.223 -0.234 0.000 2.255 81 L HA 0.479 4.819 4.340 -0.000 0.000 0.289 81 L C 0.061 176.814 176.870 -0.195 0.000 1.046 81 L CA -0.443 54.272 54.840 -0.208 0.000 0.816 81 L CB 1.375 43.352 42.059 -0.136 0.000 1.197 81 L HN 0.678 nan 8.230 nan 0.000 0.427 82 V N 2.480 122.208 119.914 -0.310 0.000 2.572 82 V HA -0.056 4.064 4.120 -0.000 0.000 0.291 82 V C 0.584 176.610 176.094 -0.114 0.000 1.039 82 V CA -0.094 62.048 62.300 -0.263 0.000 1.055 82 V CB 1.188 32.683 31.823 -0.547 0.000 0.969 82 V HN 0.644 nan 8.190 nan 0.000 0.482 83 D N 4.010 124.378 120.400 -0.052 0.000 2.671 83 D HA 0.037 4.677 4.640 -0.000 0.000 0.228 83 D C 0.945 177.232 176.300 -0.022 0.000 1.102 83 D CA -0.165 53.824 54.000 -0.018 0.000 1.044 83 D CB 0.199 40.995 40.800 -0.007 0.000 1.113 83 D HN 0.465 nan 8.370 nan 0.000 0.480 84 L N 2.262 123.512 121.223 0.045 0.000 2.131 84 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 84 L C 2.084 178.964 176.870 0.016 0.000 1.092 84 L CA 1.662 56.534 54.840 0.053 0.000 0.759 84 L CB -0.303 41.881 42.059 0.210 0.000 0.903 84 L HN 0.184 nan 8.230 nan 0.000 0.435 85 K N -0.888 119.543 120.400 0.051 0.000 2.002 85 K HA -0.114 4.205 4.320 -0.000 0.000 0.209 85 K C 2.034 178.664 176.600 0.051 0.000 1.048 85 K CA 1.448 57.778 56.287 0.071 0.000 0.930 85 K CB -0.736 31.804 32.500 0.067 0.000 0.714 85 K HN 0.404 nan 8.250 nan 0.000 0.438 86 G N 1.003 109.816 108.800 0.023 0.000 2.442 86 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.219 86 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.219 86 G C 1.440 176.334 174.900 -0.011 0.000 1.141 86 G CA 1.132 46.241 45.100 0.016 0.000 0.763 86 G HN 0.265 nan 8.290 nan 0.000 0.554 87 M N -0.254 119.284 119.600 -0.103 0.000 2.077 87 M HA 0.118 4.598 4.480 -0.000 0.000 0.261 87 M C 2.570 178.843 176.300 -0.046 0.000 1.070 87 M CA 1.105 56.244 55.300 -0.267 0.000 1.125 87 M CB -0.357 31.800 32.600 -0.738 0.000 1.339 87 M HN 0.110 nan 8.290 nan 0.000 0.409 88 L N -0.452 120.764 121.223 -0.011 0.000 2.056 88 L HA -0.188 4.152 4.340 -0.000 0.000 0.207 88 L C 2.303 179.274 176.870 0.168 0.000 1.078 88 L CA 1.335 56.233 54.840 0.096 0.000 0.749 88 L CB -0.676 41.393 42.059 0.017 0.000 0.901 88 L HN 0.376 nan 8.230 nan 0.000 0.433 89 E N -0.091 120.203 120.200 0.157 0.000 2.051 89 E HA -0.108 4.242 4.350 -0.000 0.000 0.192 89 E C 0.705 177.380 176.600 0.124 0.000 0.991 89 E CA 0.679 57.169 56.400 0.151 0.000 0.799 89 E CB 0.176 29.938 29.700 0.104 0.000 0.748 89 E HN 0.514 nan 8.360 nan 0.000 0.449 90 N N -0.194 118.574 118.700 0.115 0.000 2.495 90 N HA 0.162 4.902 4.740 -0.000 0.000 0.294 90 N C 0.277 175.876 175.510 0.148 0.000 1.276 90 N CA -0.098 53.018 53.050 0.109 0.000 0.973 90 N CB 0.180 38.721 38.487 0.091 0.000 1.143 90 N HN 0.012 nan 8.380 nan 0.000 0.589 91 G N -0.679 108.197 108.800 0.127 0.000 2.599 91 G HA2 0.471 4.431 3.960 -0.000 0.000 0.264 91 G HA3 0.471 4.431 3.960 -0.000 0.000 0.264 91 G C -0.917 174.151 174.900 0.281 0.000 1.200 91 G CA -0.090 45.092 45.100 0.135 0.000 0.896 91 G HN 0.495 nan 8.290 nan 0.000 0.536 92 F N -1.933 118.014 119.950 -0.005 0.000 2.672 92 F HA 0.584 5.110 4.527 -0.000 0.000 0.311 92 F C -0.776 175.014 175.800 -0.017 0.000 1.113 92 F CA -1.657 56.336 58.000 -0.011 0.000 0.996 92 F CB 1.317 40.309 39.000 -0.013 0.000 1.286 92 F HN 0.542 nan 8.300 nan 0.000 0.441 93 K N 2.742 123.112 120.400 -0.049 0.000 2.298 93 K HA 0.637 4.957 4.320 -0.000 0.000 0.280 93 K C -1.756 174.796 176.600 -0.081 0.000 1.032 93 K CA -0.608 55.601 56.287 -0.131 0.000 0.958 93 K CB 1.090 33.566 32.500 -0.039 0.000 0.978 93 K HN 0.819 nan 8.250 nan 0.000 0.472 94 L N 4.978 126.099 121.223 -0.169 0.000 2.482 94 L HA 0.388 4.727 4.340 -0.000 0.000 0.269 94 L C 0.104 176.948 176.870 -0.043 0.000 0.967 94 L CA 0.774 55.585 54.840 -0.048 0.000 0.851 94 L CB 1.325 43.328 42.059 -0.094 0.000 1.242 94 L HN 0.943 nan 8.230 nan 0.000 0.404 95 G N 4.430 113.234 108.800 0.005 0.000 2.622 95 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.307 95 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.307 95 G C 0.562 175.452 174.900 -0.017 0.000 1.226 95 G CA 0.529 45.631 45.100 0.005 0.000 0.997 95 G HN 0.734 nan 8.290 nan 0.000 0.551 96 N N 2.175 120.860 118.700 -0.026 0.000 2.336 96 N HA 0.405 5.145 4.740 -0.000 0.000 0.189 96 N C 0.591 176.069 175.510 -0.053 0.000 1.113 96 N CA 0.923 53.954 53.050 -0.032 0.000 0.858 96 N CB 0.641 39.114 38.487 -0.023 0.000 0.970 96 N HN 0.966 nan 8.380 nan 0.000 0.471 97 A N 0.758 123.530 122.820 -0.080 0.000 2.303 97 A HA 0.354 4.674 4.320 -0.000 0.000 0.320 97 A C -0.164 177.319 177.584 -0.168 0.000 1.192 97 A CA -0.490 51.481 52.037 -0.110 0.000 0.821 97 A CB 1.122 20.053 19.000 -0.115 0.000 1.188 97 A HN -0.024 nan 8.150 nan 0.000 0.492 98 Q N 3.079 122.792 119.800 -0.145 0.000 2.553 98 Q HA 0.280 4.620 4.340 -0.000 0.000 0.221 98 Q C -0.270 175.604 176.000 -0.210 0.000 1.219 98 Q CA -0.133 55.570 55.803 -0.167 0.000 0.955 98 Q CB -0.462 28.219 28.738 -0.095 0.000 1.399 98 Q HN 0.606 nan 8.270 nan 0.000 0.551 99 I N 2.368 122.713 120.570 -0.374 0.000 2.692 99 I HA 0.037 4.207 4.170 -0.000 0.000 0.284 99 I C 0.789 176.777 176.117 -0.215 0.000 1.159 99 I CA 0.468 61.548 61.300 -0.367 0.000 1.423 99 I CB 0.440 38.028 38.000 -0.687 0.000 1.380 99 I HN 0.610 nan 8.210 nan 0.000 0.580 100 E N 2.867 123.003 120.200 -0.108 0.000 2.264 100 E HA 0.309 4.659 4.350 -0.000 0.000 0.260 100 E C -0.506 176.103 176.600 0.015 0.000 0.961 100 E CA -0.813 55.572 56.400 -0.025 0.000 0.834 100 E CB 1.157 30.847 29.700 -0.016 0.000 1.230 100 E HN 0.455 nan 8.360 nan 0.000 0.412 101 T N 4.166 118.757 114.554 0.061 0.000 2.822 101 T HA 0.037 4.387 4.350 -0.000 0.000 0.288 101 T C -2.134 172.599 174.700 0.056 0.000 0.991 101 T CA -0.788 61.369 62.100 0.095 0.000 1.176 101 T CB -0.206 68.756 68.868 0.156 0.000 0.951 101 T HN 0.228 nan 8.240 nan 0.000 0.526 102 P HA 0.203 nan 4.420 nan 0.000 0.269 102 P C -0.102 177.257 177.300 0.099 0.000 1.209 102 P CA -0.290 62.769 63.100 -0.068 0.000 0.776 102 P CB 0.752 32.275 31.700 -0.295 0.000 0.876 103 K N 0.195 120.642 120.400 0.078 0.000 2.455 103 K HA 0.232 4.551 4.320 -0.000 0.000 0.206 103 K C 0.112 176.769 176.600 0.095 0.000 1.027 103 K CA -0.106 56.247 56.287 0.109 0.000 1.113 103 K CB 0.388 32.925 32.500 0.062 0.000 0.850 103 K HN 0.594 nan 8.250 nan 0.000 0.503 104 S N -1.382 114.374 115.700 0.094 0.000 2.552 104 S HA 0.226 4.696 4.470 -0.000 0.000 0.272 104 S C 0.299 174.944 174.600 0.076 0.000 1.150 104 S CA -0.912 57.338 58.200 0.082 0.000 0.849 104 S CB 0.847 64.068 63.200 0.035 0.000 1.113 104 S HN 0.001 nan 8.310 nan 0.000 0.458 105 I N 2.466 123.096 120.570 0.099 0.000 2.286 105 I HA 0.134 4.303 4.170 -0.000 0.000 0.248 105 I C 2.048 178.133 176.117 -0.053 0.000 1.115 105 I CA 2.338 63.679 61.300 0.069 0.000 1.392 105 I CB -0.840 37.228 38.000 0.114 0.000 1.065 105 I HN 0.947 nan 8.210 nan 0.000 0.418 106 G N -0.623 108.155 108.800 -0.036 0.000 2.421 106 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.217 106 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.217 106 G C 1.620 176.464 174.900 -0.094 0.000 1.143 106 G CA 0.840 45.896 45.100 -0.072 0.000 0.784 106 G HN 0.344 nan 8.290 nan 0.000 0.541 107 V N 1.378 121.245 119.914 -0.077 0.000 2.515 107 V HA -0.056 4.064 4.120 -0.000 0.000 0.250 107 V C 3.223 179.232 176.094 -0.142 0.000 1.058 107 V CA 1.740 63.987 62.300 -0.089 0.000 1.064 107 V CB -0.437 31.346 31.823 -0.067 0.000 0.675 107 V HN 0.449 nan 8.190 nan 0.000 0.461 108 A N 0.842 123.540 122.820 -0.202 0.000 1.898 108 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 108 A C 2.451 179.868 177.584 -0.278 0.000 1.181 108 A CA 2.306 54.154 52.037 -0.314 0.000 0.620 108 A CB -0.822 17.922 19.000 -0.427 0.000 0.819 108 A HN 0.613 nan 8.150 nan 0.000 0.442 109 T N -3.099 111.279 114.554 -0.292 0.000 3.067 109 T HA 0.350 4.700 4.350 -0.000 0.000 0.261 109 T C 1.761 176.380 174.700 -0.134 0.000 1.110 109 T CA 1.128 63.030 62.100 -0.331 0.000 1.113 109 T CB -0.104 68.441 68.868 -0.538 0.000 0.917 109 T HN 0.442 nan 8.240 nan 0.000 0.499 110 A N 1.653 124.405 122.820 -0.113 0.000 1.897 110 A HA 0.265 4.585 4.320 -0.000 0.000 0.215 110 A C 2.267 179.832 177.584 -0.031 0.000 1.181 110 A CA 0.837 52.841 52.037 -0.054 0.000 0.620 110 A CB -0.670 18.295 19.000 -0.058 0.000 0.821 110 A HN 0.545 nan 8.150 nan 0.000 0.443 111 I N -0.755 119.786 120.570 -0.048 0.000 2.315 111 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 111 I C 2.652 178.775 176.117 0.010 0.000 1.117 111 I CA 1.629 62.934 61.300 0.007 0.000 1.404 111 I CB -0.207 37.805 38.000 0.020 0.000 1.071 111 I HN 0.460 nan 8.210 nan 0.000 0.419 112 M N 0.672 120.213 119.600 -0.099 0.000 2.229 112 M HA -0.170 4.310 4.480 -0.000 0.000 0.264 112 M C 2.309 178.598 176.300 -0.018 0.000 1.063 112 M CA 1.920 57.085 55.300 -0.225 0.000 1.114 112 M CB -0.050 32.232 32.600 -0.530 0.000 1.387 112 M HN 0.244 nan 8.290 nan 0.000 0.420 113 A N -0.080 122.813 122.820 0.121 0.000 1.929 113 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 113 A C 1.986 179.617 177.584 0.078 0.000 1.176 113 A CA 1.198 53.309 52.037 0.124 0.000 0.628 113 A CB -0.493 18.519 19.000 0.019 0.000 0.816 113 A HN 0.618 nan 8.150 nan 0.000 0.444 114 Q N -0.466 119.378 119.800 0.074 0.000 2.187 114 Q HA 0.015 4.354 4.340 -0.000 0.000 0.199 114 Q C 2.045 178.123 176.000 0.129 0.000 0.957 114 Q CA 1.014 56.867 55.803 0.083 0.000 0.857 114 Q CB -0.258 28.521 28.738 0.068 0.000 0.929 114 Q HN 0.764 nan 8.270 nan 0.000 0.453 115 I N 0.657 121.327 120.570 0.166 0.000 2.315 115 I HA -0.219 3.951 4.170 -0.000 0.000 0.248 115 I C 2.117 178.379 176.117 0.242 0.000 1.117 115 I CA 1.053 62.474 61.300 0.200 0.000 1.404 115 I CB -0.333 37.791 38.000 0.207 0.000 1.071 115 I HN 0.122 nan 8.210 nan 0.000 0.419 116 T N 0.855 115.593 114.554 0.307 0.000 2.684 116 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 116 T C 2.081 176.870 174.700 0.149 0.000 1.036 116 T CA 1.637 63.923 62.100 0.311 0.000 1.148 116 T CB -0.337 68.723 68.868 0.320 0.000 0.863 116 T HN 0.487 nan 8.240 nan 0.000 0.436 117 A N 1.087 123.976 122.820 0.116 0.000 1.930 117 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 117 A C 2.391 180.035 177.584 0.100 0.000 1.175 117 A CA 1.044 53.133 52.037 0.086 0.000 0.627 117 A CB -0.403 18.640 19.000 0.071 0.000 0.815 117 A HN 0.327 nan 8.150 nan 0.000 0.443 118 Q N -0.446 119.431 119.800 0.129 0.000 2.123 118 Q HA -0.046 4.294 4.340 -0.000 0.000 0.199 118 Q C 2.333 178.479 176.000 0.244 0.000 0.966 118 Q CA 1.420 57.336 55.803 0.187 0.000 0.845 118 Q CB -0.471 28.364 28.738 0.163 0.000 0.907 118 Q HN 0.487 nan 8.270 nan 0.000 0.439 119 V N 1.214 121.197 119.914 0.115 0.000 2.307 119 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 119 V C 2.405 178.522 176.094 0.038 0.000 1.045 119 V CA 1.636 63.957 62.300 0.035 0.000 1.024 119 V CB -1.066 30.719 31.823 -0.063 0.000 0.651 119 V HN 0.296 nan 8.190 nan 0.000 0.449 120 A N -0.223 122.605 122.820 0.014 0.000 1.986 120 A HA -0.237 4.083 4.320 -0.000 0.000 0.220 120 A C 2.336 179.921 177.584 0.001 0.000 1.171 120 A CA 2.378 54.402 52.037 -0.021 0.000 0.640 120 A CB -0.606 18.382 19.000 -0.020 0.000 0.811 120 A HN 0.537 nan 8.150 nan 0.000 0.451 121 S N -1.530 114.186 115.700 0.027 0.000 2.562 121 S HA 0.021 4.491 4.470 -0.000 0.000 0.221 121 S C 0.840 175.364 174.600 -0.126 0.000 0.975 121 S CA 0.803 58.969 58.200 -0.057 0.000 0.918 121 S CB -0.267 62.849 63.200 -0.139 0.000 0.772 121 S HN 0.828 nan 8.310 nan 0.000 0.531 122 H N 0.680 119.830 119.070 0.133 0.000 2.923 122 H HA 0.297 4.853 4.556 -0.000 0.000 0.268 122 H C 0.419 175.897 175.328 0.250 0.000 1.148 122 H CA -0.325 55.832 56.048 0.182 0.000 1.146 122 H CB 0.460 30.215 29.762 -0.011 0.000 1.607 122 H HN 0.433 nan 8.280 nan 0.000 0.566 123 Q N -0.202 119.743 119.800 0.242 0.000 2.501 123 Q HA 0.168 4.508 4.340 -0.000 0.000 0.288 123 Q C -0.640 175.214 176.000 -0.243 0.000 1.051 123 Q CA -1.180 54.663 55.803 0.066 0.000 0.788 123 Q CB 1.054 29.739 28.738 -0.090 0.000 1.469 123 Q HN 0.289 nan 8.270 nan 0.000 0.416 124 Y N -1.219 118.847 120.300 -0.390 0.000 2.457 124 Y HA 0.588 5.138 4.550 -0.000 0.000 0.263 124 Y C 0.361 176.035 175.900 -0.376 0.000 1.164 124 Y CA -0.106 57.548 58.100 -0.743 0.000 1.274 124 Y CB 0.200 37.950 38.460 -1.184 0.000 1.097 124 Y HN 0.643 nan 8.280 nan 0.000 0.523 125 G N -0.089 108.571 108.800 -0.234 0.000 3.107 125 G HA2 0.526 4.486 3.960 -0.000 0.000 0.232 125 G HA3 0.526 4.486 3.960 -0.000 0.000 0.232 125 G C -0.402 174.335 174.900 -0.271 0.000 1.339 125 G CA -0.689 44.349 45.100 -0.105 0.000 1.033 125 G HN 0.431 nan 8.290 nan 0.000 0.567 126 G N -1.055 107.411 108.800 -0.557 0.000 2.476 126 G HA2 0.474 4.434 3.960 -0.000 0.000 0.269 126 G HA3 0.474 4.434 3.960 -0.000 0.000 0.269 126 G C -0.408 174.110 174.900 -0.636 0.000 1.195 126 G CA 0.006 44.416 45.100 -1.149 0.000 0.843 126 G HN 0.513 nan 8.290 nan 0.000 0.545 127 T N 1.004 115.218 114.554 -0.567 0.000 2.771 127 T HA 0.545 4.894 4.350 -0.000 0.000 0.281 127 T C -0.063 174.390 174.700 -0.411 0.000 0.982 127 T CA -0.141 61.706 62.100 -0.422 0.000 0.978 127 T CB 1.510 70.191 68.868 -0.313 0.000 0.930 127 T HN 0.388 nan 8.240 nan 0.000 0.447 128 T N 3.254 117.548 114.554 -0.433 0.000 2.807 128 T HA 0.535 4.885 4.350 -0.000 0.000 0.279 128 T C -0.824 173.605 174.700 -0.451 0.000 0.993 128 T CA -0.452 61.456 62.100 -0.319 0.000 0.970 128 T CB 0.343 69.069 68.868 -0.235 0.000 0.950 128 T HN 0.372 nan 8.240 nan 0.000 0.441 129 F N 2.518 122.448 119.950 -0.034 0.000 2.334 129 F HA 0.576 5.103 4.527 -0.000 0.000 0.367 129 F C 0.789 176.596 175.800 0.012 0.000 1.115 129 F CA -0.951 57.038 58.000 -0.019 0.000 1.116 129 F CB 0.719 39.698 39.000 -0.034 0.000 1.230 129 F HN 0.592 nan 8.300 nan 0.000 0.484 130 A N 3.215 126.113 122.820 0.131 0.000 2.363 130 A HA 0.364 4.684 4.320 -0.000 0.000 0.270 130 A C 0.522 178.217 177.584 0.184 0.000 1.121 130 A CA -0.496 51.630 52.037 0.147 0.000 0.800 130 A CB -0.304 18.762 19.000 0.111 0.000 1.052 130 A HN 0.976 nan 8.150 nan 0.000 0.493 131 N N 0.330 119.170 118.700 0.234 0.000 2.738 131 N HA -0.197 4.543 4.740 -0.000 0.000 0.249 131 N C 0.601 176.218 175.510 0.177 0.000 1.047 131 N CA 0.482 53.667 53.050 0.226 0.000 0.707 131 N CB -1.678 36.907 38.487 0.163 0.000 0.937 131 N HN 1.000 nan 8.380 nan 0.000 0.545 132 V N -2.236 117.789 119.914 0.185 0.000 2.720 132 V HA -0.272 3.848 4.120 -0.000 0.000 0.256 132 V C 2.155 178.310 176.094 0.101 0.000 1.082 132 V CA 1.998 64.378 62.300 0.133 0.000 1.101 132 V CB -0.291 31.596 31.823 0.107 0.000 0.693 132 V HN 0.468 nan 8.190 nan 0.000 0.479 133 D N 1.459 121.911 120.400 0.087 0.000 2.097 133 D HA -0.234 4.406 4.640 -0.000 0.000 0.195 133 D C 1.940 178.257 176.300 0.029 0.000 0.989 133 D CA 1.965 55.984 54.000 0.031 0.000 0.827 133 D CB -0.508 40.323 40.800 0.051 0.000 0.966 133 D HN 0.505 nan 8.370 nan 0.000 0.456 134 K N 0.280 120.712 120.400 0.053 0.000 2.062 134 K HA 0.004 4.324 4.320 -0.000 0.000 0.205 134 K C 2.404 179.020 176.600 0.028 0.000 1.051 134 K CA 0.851 57.153 56.287 0.024 0.000 0.941 134 K CB -0.105 32.416 32.500 0.034 0.000 0.719 134 K HN 0.048 nan 8.250 nan 0.000 0.440 135 V N 1.782 121.738 119.914 0.070 0.000 2.427 135 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 135 V C 2.016 178.198 176.094 0.147 0.000 1.051 135 V CA 1.517 63.876 62.300 0.098 0.000 1.048 135 V CB -0.310 31.584 31.823 0.118 0.000 0.666 135 V HN 0.263 nan 8.190 nan 0.000 0.456 136 L N -0.572 120.743 121.223 0.152 0.000 2.567 136 L HA 0.062 4.402 4.340 -0.000 0.000 0.225 136 L C 2.500 179.454 176.870 0.140 0.000 1.119 136 L CA 0.630 55.627 54.840 0.261 0.000 0.871 136 L CB -0.304 41.893 42.059 0.231 0.000 1.036 136 L HN 0.335 nan 8.230 nan 0.000 0.459 137 S N 1.546 117.241 115.700 -0.009 0.000 2.381 137 S HA -0.152 4.318 4.470 -0.000 0.000 0.230 137 S C -0.408 174.051 174.600 -0.235 0.000 1.052 137 S CA 1.999 60.115 58.200 -0.139 0.000 1.068 137 S CB -0.755 62.349 63.200 -0.159 0.000 0.918 137 S HN 0.219 nan 8.310 nan 0.000 0.448 138 P HA -0.022 nan 4.420 nan 0.000 0.222 138 P C 0.348 177.311 177.300 -0.563 0.000 1.147 138 P CA 1.018 63.810 63.100 -0.513 0.000 0.790 138 P CB -0.166 31.109 31.700 -0.709 0.000 0.780 139 Y N -1.841 118.450 120.300 -0.015 0.000 2.448 139 Y HA -0.010 4.540 4.550 -0.000 0.000 0.289 139 Y C 2.275 178.186 175.900 0.019 0.000 1.114 139 Y CA 0.228 58.329 58.100 0.003 0.000 1.235 139 Y CB -1.353 37.104 38.460 -0.005 0.000 1.045 139 Y HN -0.262 nan 8.280 nan 0.000 0.554 140 V N 0.338 120.297 119.914 0.076 0.000 2.515 140 V HA -0.249 3.871 4.120 -0.000 0.000 0.250 140 V C 2.088 178.213 176.094 0.051 0.000 1.058 140 V CA 1.693 64.025 62.300 0.054 0.000 1.064 140 V CB -0.445 31.345 31.823 -0.056 0.000 0.675 140 V HN 0.338 nan 8.190 nan 0.000 0.461 141 K N -0.222 120.153 120.400 -0.042 0.000 2.155 141 K HA -0.095 4.225 4.320 -0.000 0.000 0.203 141 K C 2.409 179.097 176.600 0.146 0.000 1.052 141 K CA 1.055 57.365 56.287 0.039 0.000 0.948 141 K CB -0.097 32.367 32.500 -0.060 0.000 0.728 141 K HN 0.333 nan 8.250 nan 0.000 0.448 142 R N -0.222 120.333 120.500 0.092 0.000 2.093 142 R HA -0.009 4.331 4.340 -0.000 0.000 0.224 142 R C 2.239 178.606 176.300 0.112 0.000 1.101 142 R CA 1.260 57.422 56.100 0.102 0.000 0.979 142 R CB -0.233 30.126 30.300 0.097 0.000 0.877 142 R HN 0.047 nan 8.270 nan 0.000 0.441 143 T N -0.032 114.603 114.554 0.137 0.000 2.746 143 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 143 T C 1.276 176.083 174.700 0.178 0.000 1.039 143 T CA 1.352 63.519 62.100 0.113 0.000 1.142 143 T CB -0.324 68.650 68.868 0.177 0.000 0.866 143 T HN 0.270 nan 8.240 nan 0.000 0.444 144 Y N 1.795 122.212 120.300 0.196 0.000 2.163 144 Y HA 0.015 4.565 4.550 -0.000 0.000 0.288 144 Y C 2.474 178.495 175.900 0.203 0.000 1.136 144 Y CA 0.936 59.203 58.100 0.280 0.000 1.147 144 Y CB -0.661 38.049 38.460 0.416 0.000 0.987 144 Y HN 0.175 nan 8.280 nan 0.000 0.509 145 A N 0.083 123.027 122.820 0.206 0.000 1.972 145 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 145 A C 2.213 179.803 177.584 0.010 0.000 1.169 145 A CA 1.844 53.936 52.037 0.091 0.000 0.635 145 A CB -0.561 18.514 19.000 0.126 0.000 0.810 145 A HN 0.509 nan 8.150 nan 0.000 0.446 146 K N -1.294 119.089 120.400 -0.027 0.000 2.097 146 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 146 K C 1.912 178.462 176.600 -0.082 0.000 1.050 146 K CA 1.340 57.573 56.287 -0.090 0.000 0.938 146 K CB -0.210 32.177 32.500 -0.187 0.000 0.718 146 K HN 0.589 nan 8.250 nan 0.000 0.442 147 H N 0.099 119.191 119.070 0.036 0.000 2.436 147 H HA 0.012 4.568 4.556 -0.000 0.000 0.294 147 H C 2.047 177.428 175.328 0.089 0.000 1.048 147 H CA 0.716 56.814 56.048 0.084 0.000 1.353 147 H CB 0.188 29.922 29.762 -0.047 0.000 1.414 147 H HN 0.099 nan 8.280 nan 0.000 0.536 148 I N 1.086 121.665 120.570 0.016 0.000 2.226 148 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 148 I C 2.488 178.625 176.117 0.033 0.000 1.100 148 I CA 1.090 62.369 61.300 -0.035 0.000 1.374 148 I CB -0.741 37.172 38.000 -0.145 0.000 1.057 148 I HN 0.348 nan 8.210 nan 0.000 0.413 149 E N 0.697 120.919 120.200 0.037 0.000 2.150 149 E HA -0.246 4.103 4.350 -0.000 0.000 0.193 149 E C 1.383 178.015 176.600 0.054 0.000 0.985 149 E CA 1.279 57.697 56.400 0.029 0.000 0.814 149 E CB 0.107 29.819 29.700 0.019 0.000 0.752 149 E HN 0.359 nan 8.360 nan 0.000 0.466 150 D N -0.177 120.313 120.400 0.150 0.000 2.289 150 D HA 0.019 4.659 4.640 -0.000 0.000 0.207 150 D C 1.598 178.011 176.300 0.187 0.000 0.966 150 D CA 0.886 55.042 54.000 0.260 0.000 0.868 150 D CB 0.154 41.221 40.800 0.446 0.000 0.943 150 D HN 0.293 nan 8.370 nan 0.000 0.514 151 A N 1.155 124.035 122.820 0.099 0.000 1.968 151 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 151 A C 2.056 179.625 177.584 -0.026 0.000 1.169 151 A CA 1.366 53.379 52.037 -0.040 0.000 0.638 151 A CB -0.346 18.666 19.000 0.020 0.000 0.812 151 A HN 0.344 nan 8.150 nan 0.000 0.446 152 E N 0.117 120.307 120.200 -0.017 0.000 2.112 152 E HA -0.180 4.170 4.350 -0.000 0.000 0.190 152 E C 1.908 178.445 176.600 -0.105 0.000 0.979 152 E CA 1.276 57.648 56.400 -0.046 0.000 0.814 152 E CB -0.317 29.360 29.700 -0.039 0.000 0.762 152 E HN 0.509 nan 8.360 nan 0.000 0.460 153 K N -0.050 120.253 120.400 -0.162 0.000 2.147 153 K HA -0.130 4.190 4.320 -0.000 0.000 0.205 153 K C 0.536 176.782 176.600 -0.591 0.000 1.049 153 K CA 1.567 57.605 56.287 -0.414 0.000 0.936 153 K CB -0.080 32.108 32.500 -0.519 0.000 0.722 153 K HN 0.302 nan 8.250 nan 0.000 0.446 154 W N 1.177 122.434 121.300 -0.072 0.000 2.818 154 W HA 0.248 4.907 4.660 -0.000 0.000 0.403 154 W C -0.564 175.895 176.519 -0.100 0.000 0.991 154 W CA -0.685 56.608 57.345 -0.085 0.000 1.925 154 W CB 0.827 30.223 29.460 -0.108 0.000 1.166 154 W HN -0.047 nan 8.180 nan 0.000 0.605 155 Q N 0.519 120.346 119.800 0.045 0.000 2.463 155 Q HA -0.208 4.132 4.340 -0.000 0.000 0.299 155 Q C -0.239 175.759 176.000 -0.003 0.000 1.353 155 Q CA 1.013 56.822 55.803 0.011 0.000 0.828 155 Q CB -2.495 26.256 28.738 0.020 0.000 1.157 155 Q HN 0.499 nan 8.270 nan 0.000 0.436 156 I N -0.413 120.131 120.570 -0.044 0.000 2.416 156 I HA 0.180 4.350 4.170 -0.000 0.000 0.288 156 I C 1.720 177.804 176.117 -0.054 0.000 1.051 156 I CA 0.310 61.550 61.300 -0.099 0.000 1.375 156 I CB 1.228 39.061 38.000 -0.278 0.000 1.407 156 I HN 0.306 nan 8.210 nan 0.000 0.516 157 A N 5.059 127.859 122.820 -0.033 0.000 1.835 157 A HA -0.174 4.145 4.320 -0.000 0.000 0.215 157 A C 1.199 178.783 177.584 -0.001 0.000 1.199 157 A CA 1.366 53.396 52.037 -0.011 0.000 0.615 157 A CB -0.248 18.749 19.000 -0.005 0.000 0.838 157 A HN 0.745 nan 8.150 nan 0.000 0.444 158 D N -0.304 120.102 120.400 0.010 0.000 2.517 158 D HA 0.550 5.190 4.640 -0.000 0.000 0.220 158 D C 0.959 177.292 176.300 0.054 0.000 1.158 158 D CA 0.532 54.551 54.000 0.031 0.000 0.992 158 D CB 0.752 41.575 40.800 0.038 0.000 1.058 158 D HN 0.248 nan 8.370 nan 0.000 0.516 159 A N 3.304 126.149 122.820 0.042 0.000 1.854 159 A HA -0.109 4.211 4.320 -0.000 0.000 0.214 159 A C 1.846 179.484 177.584 0.089 0.000 1.192 159 A CA 0.619 52.691 52.037 0.058 0.000 0.611 159 A CB -0.242 18.774 19.000 0.027 0.000 0.832 159 A HN 0.495 nan 8.150 nan 0.000 0.442 160 L N 0.089 121.351 121.223 0.064 0.000 2.362 160 L HA -0.023 4.317 4.340 -0.000 0.000 0.219 160 L C 1.798 178.714 176.870 0.077 0.000 1.134 160 L CA 1.621 56.503 54.840 0.070 0.000 0.807 160 L CB -1.224 40.868 42.059 0.054 0.000 0.927 160 L HN 0.486 nan 8.230 nan 0.000 0.447 161 N N -2.544 116.202 118.700 0.077 0.000 2.392 161 N HA -0.139 4.601 4.740 -0.000 0.000 0.177 161 N C 1.686 177.246 175.510 0.083 0.000 1.066 161 N CA 0.129 53.218 53.050 0.064 0.000 0.895 161 N CB 0.111 38.628 38.487 0.051 0.000 0.988 161 N HN 0.317 nan 8.380 nan 0.000 0.457 162 Y N 0.482 120.771 120.300 -0.018 0.000 2.231 162 Y HA 0.186 4.736 4.550 -0.000 0.000 0.294 162 Y C 2.111 177.968 175.900 -0.072 0.000 1.120 162 Y CA 1.380 59.456 58.100 -0.040 0.000 1.141 162 Y CB -0.445 38.000 38.460 -0.025 0.000 1.022 162 Y HN 0.043 nan 8.280 nan 0.000 0.523 163 A N 0.566 123.383 122.820 -0.005 0.000 1.933 163 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 163 A C 2.252 179.827 177.584 -0.015 0.000 1.175 163 A CA 1.928 53.883 52.037 -0.137 0.000 0.628 163 A CB -0.960 17.846 19.000 -0.324 0.000 0.814 163 A HN 0.715 nan 8.150 nan 0.000 0.444 164 Q N -0.648 119.220 119.800 0.113 0.000 2.049 164 Q HA -0.122 4.217 4.340 -0.000 0.000 0.198 164 Q C 2.205 178.233 176.000 0.046 0.000 0.971 164 Q CA 1.962 57.866 55.803 0.168 0.000 0.833 164 Q CB -0.354 28.433 28.738 0.082 0.000 0.896 164 Q HN 0.524 nan 8.270 nan 0.000 0.434 165 S N -0.228 115.444 115.700 -0.047 0.000 2.383 165 S HA -0.093 4.377 4.470 -0.000 0.000 0.227 165 S C 1.881 176.384 174.600 -0.162 0.000 1.026 165 S CA 1.027 59.176 58.200 -0.085 0.000 0.981 165 S CB -0.080 63.066 63.200 -0.089 0.000 0.818 165 S HN 0.304 nan 8.310 nan 0.000 0.472 166 K N 0.392 120.577 120.400 -0.358 0.000 2.155 166 K HA 0.039 4.359 4.320 -0.000 0.000 0.203 166 K C 2.202 178.644 176.600 -0.264 0.000 1.052 166 K CA 1.308 57.282 56.287 -0.522 0.000 0.948 166 K CB -0.938 30.819 32.500 -1.237 0.000 0.728 166 K HN 0.383 nan 8.250 nan 0.000 0.448 167 T N 1.224 115.737 114.554 -0.069 0.000 2.777 167 T HA -0.106 4.244 4.350 -0.000 0.000 0.266 167 T C 1.745 176.555 174.700 0.184 0.000 1.040 167 T CA 1.140 63.364 62.100 0.207 0.000 1.141 167 T CB -0.023 69.105 68.868 0.433 0.000 0.868 167 T HN 0.318 nan 8.240 nan 0.000 0.444 168 E N 0.433 120.715 120.200 0.137 0.000 2.118 168 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 168 E C 2.187 178.867 176.600 0.133 0.000 0.992 168 E CA 1.131 57.611 56.400 0.133 0.000 0.804 168 E CB 0.015 29.764 29.700 0.081 0.000 0.741 168 E HN 0.152 nan 8.360 nan 0.000 0.458 169 K N 0.817 121.262 120.400 0.075 0.000 2.062 169 K HA -0.124 4.196 4.320 -0.000 0.000 0.205 169 K C 1.403 178.094 176.600 0.151 0.000 1.051 169 K CA 1.577 57.916 56.287 0.086 0.000 0.941 169 K CB -0.037 32.464 32.500 0.002 0.000 0.719 169 K HN 0.000 nan 8.250 nan 0.000 0.440 170 D N -0.372 120.110 120.400 0.137 0.000 2.178 170 D HA -0.104 4.536 4.640 -0.000 0.000 0.202 170 D C 1.752 178.156 176.300 0.172 0.000 0.974 170 D CA 0.912 55.006 54.000 0.155 0.000 0.841 170 D CB 0.054 40.972 40.800 0.196 0.000 0.953 170 D HN 0.023 nan 8.370 nan 0.000 0.478 171 V N 0.128 120.171 119.914 0.216 0.000 2.346 171 V HA -0.214 3.906 4.120 -0.000 0.000 0.244 171 V C 2.071 178.355 176.094 0.317 0.000 1.037 171 V CA 1.031 63.493 62.300 0.270 0.000 1.029 171 V CB -0.592 31.385 31.823 0.257 0.000 0.663 171 V HN 0.170 nan 8.190 nan 0.000 0.454 172 Y N 1.699 122.097 120.300 0.163 0.000 2.151 172 Y HA -0.302 4.248 4.550 -0.000 0.000 0.284 172 Y C 2.247 178.236 175.900 0.149 0.000 1.166 172 Y CA 2.269 60.455 58.100 0.144 0.000 1.163 172 Y CB -0.219 38.291 38.460 0.084 0.000 0.974 172 Y HN 0.348 nan 8.280 nan 0.000 0.511 173 D N -0.386 120.123 120.400 0.183 0.000 2.183 173 D HA -0.069 4.571 4.640 -0.000 0.000 0.203 173 D C 2.235 178.534 176.300 -0.002 0.000 0.969 173 D CA 1.241 55.291 54.000 0.083 0.000 0.842 173 D CB -0.525 40.337 40.800 0.104 0.000 0.957 173 D HN 0.455 nan 8.370 nan 0.000 0.484 174 A N -0.288 122.530 122.820 -0.003 0.000 1.969 174 A HA -0.091 4.228 4.320 -0.000 0.000 0.218 174 A C 1.734 179.137 177.584 -0.302 0.000 1.169 174 A CA 0.866 52.812 52.037 -0.152 0.000 0.635 174 A CB -0.689 18.191 19.000 -0.201 0.000 0.810 174 A HN 0.188 nan 8.150 nan 0.000 0.445 175 F N -0.872 119.047 119.950 -0.051 0.000 2.698 175 F HA 0.087 4.614 4.527 -0.000 0.000 0.295 175 F C 2.410 178.187 175.800 -0.038 0.000 1.124 175 F CA 0.878 58.854 58.000 -0.039 0.000 1.426 175 F CB 0.114 39.051 39.000 -0.105 0.000 1.120 175 F HN 0.292 nan 8.300 nan 0.000 0.583 176 Q N 0.559 120.357 119.800 -0.003 0.000 2.083 176 Q HA -0.114 4.226 4.340 -0.000 0.000 0.198 176 Q C 2.396 178.471 176.000 0.125 0.000 0.969 176 Q CA 1.254 57.076 55.803 0.031 0.000 0.838 176 Q CB -0.075 28.595 28.738 -0.114 0.000 0.900 176 Q HN 0.364 nan 8.270 nan 0.000 0.436 177 A N 0.290 123.124 122.820 0.022 0.000 1.865 177 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 177 A C 1.908 179.526 177.584 0.056 0.000 1.191 177 A CA 1.569 53.614 52.037 0.014 0.000 0.623 177 A CB -1.248 17.728 19.000 -0.039 0.000 0.826 177 A HN 0.642 nan 8.150 nan 0.000 0.444 178 Y N 0.481 120.733 120.300 -0.079 0.000 2.081 178 Y HA -0.261 4.289 4.550 -0.000 0.000 0.280 178 Y C 2.403 178.319 175.900 0.028 0.000 1.163 178 Y CA 2.502 60.558 58.100 -0.073 0.000 1.135 178 Y CB -0.426 37.940 38.460 -0.157 0.000 0.970 178 Y HN 0.507 nan 8.280 nan 0.000 0.498 179 E N -1.433 118.820 120.200 0.088 0.000 2.153 179 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 179 E C 1.774 178.317 176.600 -0.096 0.000 0.988 179 E CA 1.564 57.970 56.400 0.011 0.000 0.811 179 E CB -0.394 29.357 29.700 0.085 0.000 0.746 179 E HN 0.630 nan 8.360 nan 0.000 0.466 180 Y N 0.693 120.948 120.300 -0.076 0.000 2.269 180 Y HA -0.004 4.546 4.550 -0.000 0.000 0.294 180 Y C 2.230 178.071 175.900 -0.098 0.000 1.120 180 Y CA 1.034 59.096 58.100 -0.063 0.000 1.159 180 Y CB 0.161 38.594 38.460 -0.045 0.000 1.024 180 Y HN 0.032 nan 8.280 nan 0.000 0.532 181 E N -0.309 119.889 120.200 -0.003 0.000 2.085 181 E HA -0.177 4.172 4.350 -0.000 0.000 0.194 181 E C 2.279 178.801 176.600 -0.130 0.000 0.994 181 E CA 1.492 57.845 56.400 -0.078 0.000 0.801 181 E CB -0.520 29.110 29.700 -0.117 0.000 0.743 181 E HN 0.267 nan 8.360 nan 0.000 0.453 182 V N 2.245 122.010 119.914 -0.249 0.000 2.759 182 V HA -0.142 3.978 4.120 -0.000 0.000 0.256 182 V C 1.611 177.676 176.094 -0.049 0.000 1.080 182 V CA 1.149 63.325 62.300 -0.206 0.000 1.101 182 V CB -0.351 31.255 31.823 -0.361 0.000 0.698 182 V HN 0.234 nan 8.190 nan 0.000 0.477 183 N N -0.174 118.499 118.700 -0.044 0.000 2.236 183 N HA 0.009 4.749 4.740 -0.000 0.000 0.196 183 N C 1.397 176.927 175.510 0.034 0.000 1.114 183 N CA 1.089 54.145 53.050 0.010 0.000 0.859 183 N CB 0.740 39.189 38.487 -0.064 0.000 0.982 183 N HN 0.662 nan 8.380 nan 0.000 0.493 184 T N -1.941 112.616 114.554 0.004 0.000 3.043 184 T HA 0.255 4.605 4.350 -0.000 0.000 0.272 184 T C 0.247 174.875 174.700 -0.120 0.000 0.990 184 T CA -0.425 61.651 62.100 -0.040 0.000 0.897 184 T CB -0.186 68.673 68.868 -0.014 0.000 1.111 184 T HN 0.010 nan 8.240 nan 0.000 0.529 185 L N -0.958 120.240 121.223 -0.042 0.000 2.365 185 L HA 0.906 5.246 4.340 -0.000 0.000 0.273 185 L C -1.320 175.657 176.870 0.177 0.000 1.000 185 L CA -1.385 53.432 54.840 -0.039 0.000 0.819 185 L CB 0.834 42.889 42.059 -0.006 0.000 1.284 185 L HN -0.215 nan 8.230 nan 0.000 0.418 186 F N 0.946 120.904 119.950 0.013 0.000 2.399 186 F HA 0.705 5.232 4.527 -0.000 0.000 0.334 186 F C 1.037 176.846 175.800 0.015 0.000 1.097 186 F CA -1.006 57.004 58.000 0.016 0.000 1.076 186 F CB 1.811 40.826 39.000 0.025 0.000 1.162 186 F HN 0.845 nan 8.300 nan 0.000 0.495 187 S N 0.270 116.092 115.700 0.203 0.000 2.661 187 S HA 0.141 4.611 4.470 -0.000 0.000 0.265 187 S C 1.557 176.219 174.600 0.104 0.000 1.225 187 S CA 0.039 58.306 58.200 0.111 0.000 0.986 187 S CB 0.910 64.146 63.200 0.059 0.000 1.008 187 S HN 0.676 nan 8.310 nan 0.000 0.565 188 S N 1.863 117.603 115.700 0.067 0.000 2.393 188 S HA -0.289 4.181 4.470 -0.000 0.000 0.234 188 S C 1.601 176.245 174.600 0.073 0.000 1.064 188 S CA 2.202 60.441 58.200 0.064 0.000 1.088 188 S CB -1.370 61.862 63.200 0.053 0.000 0.939 188 S HN 0.932 nan 8.310 nan 0.000 0.448 189 N N 0.649 119.390 118.700 0.068 0.000 2.434 189 N HA 0.154 4.894 4.740 -0.000 0.000 0.196 189 N C 1.176 176.673 175.510 -0.022 0.000 1.183 189 N CA 1.153 54.234 53.050 0.052 0.000 0.849 189 N CB -0.925 37.626 38.487 0.106 0.000 0.992 189 N HN 0.687 nan 8.380 nan 0.000 0.460 190 G N -0.818 107.966 108.800 -0.028 0.000 2.168 190 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.263 190 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.263 190 G C -0.213 174.308 174.900 -0.630 0.000 0.977 190 G CA 0.412 45.397 45.100 -0.192 0.000 0.659 190 G HN 0.515 nan 8.290 nan 0.000 0.533 191 Q N -0.328 119.253 119.800 -0.365 0.000 2.241 191 Q HA 0.511 4.851 4.340 -0.000 0.000 0.262 191 Q C -0.089 175.820 176.000 -0.152 0.000 1.014 191 Q CA -0.492 55.089 55.803 -0.371 0.000 0.885 191 Q CB 1.401 30.034 28.738 -0.176 0.000 1.311 191 Q HN 0.148 nan 8.270 nan 0.000 0.461 192 T N 3.762 118.291 114.554 -0.042 0.000 2.888 192 T HA 0.158 4.508 4.350 -0.000 0.000 0.301 192 T C -2.188 172.531 174.700 0.031 0.000 1.001 192 T CA -0.807 61.372 62.100 0.132 0.000 1.147 192 T CB 0.264 69.250 68.868 0.197 0.000 0.931 192 T HN 0.306 nan 8.240 nan 0.000 0.541 193 P HA 0.093 nan 4.420 nan 0.000 0.268 193 P C -0.754 176.373 177.300 -0.288 0.000 1.205 193 P CA -0.237 62.817 63.100 -0.077 0.000 0.771 193 P CB 0.287 31.971 31.700 -0.027 0.000 0.858 194 F N 4.455 124.062 119.950 -0.572 0.000 2.350 194 F HA 0.453 4.980 4.527 -0.000 0.000 0.365 194 F C -0.837 174.628 175.800 -0.559 0.000 1.122 194 F CA -0.851 56.529 58.000 -1.033 0.000 1.139 194 F CB 0.589 39.218 39.000 -0.617 0.000 1.220 194 F HN 0.107 nan 8.300 nan 0.000 0.499 195 V N 5.781 125.469 119.914 -0.377 0.000 2.841 195 V HA 0.655 4.775 4.120 -0.000 0.000 0.310 195 V C -0.901 175.231 176.094 0.063 0.000 1.090 195 V CA 0.009 62.230 62.300 -0.131 0.000 0.930 195 V CB 2.535 34.398 31.823 0.065 0.000 1.014 195 V HN 0.865 nan 8.190 nan 0.000 0.425 196 T N 5.340 119.913 114.554 0.033 0.000 2.907 196 T HA 0.764 5.114 4.350 -0.000 0.000 0.292 196 T C -1.187 173.591 174.700 0.130 0.000 1.043 196 T CA -0.735 61.414 62.100 0.081 0.000 1.003 196 T CB 1.712 70.588 68.868 0.013 0.000 1.084 196 T HN 0.557 nan 8.240 nan 0.000 0.483 197 I N 3.502 124.156 120.570 0.140 0.000 2.478 197 I HA 0.418 4.587 4.170 -0.000 0.000 0.287 197 I C 0.495 176.710 176.117 0.163 0.000 1.042 197 I CA -0.408 61.012 61.300 0.201 0.000 1.067 197 I CB 1.600 39.745 38.000 0.240 0.000 1.233 197 I HN 1.081 nan 8.210 nan 0.000 0.431 198 T N 3.774 118.405 114.554 0.129 0.000 2.932 198 T HA 0.920 5.270 4.350 -0.000 0.000 0.289 198 T C -0.638 174.191 174.700 0.215 0.000 1.039 198 T CA -0.498 61.579 62.100 -0.039 0.000 1.024 198 T CB 2.291 71.017 68.868 -0.237 0.000 1.090 198 T HN 0.429 nan 8.240 nan 0.000 0.496 199 F N -2.383 117.546 119.950 -0.035 0.000 2.807 199 F HA 0.778 5.305 4.527 -0.000 0.000 0.316 199 F C 0.581 176.462 175.800 0.135 0.000 1.162 199 F CA -0.552 57.493 58.000 0.075 0.000 0.910 199 F CB 0.877 39.876 39.000 -0.002 0.000 1.314 199 F HN 1.063 nan 8.300 nan 0.000 0.454 200 G N -0.253 108.763 108.800 0.359 0.000 2.485 200 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.181 200 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.181 200 G C 0.681 175.711 174.900 0.218 0.000 0.999 200 G CA 0.331 45.587 45.100 0.260 0.000 0.721 200 G HN 1.493 nan 8.290 nan 0.000 0.486 201 T N -0.305 114.375 114.554 0.209 0.000 3.129 201 T HA 0.480 4.830 4.350 -0.000 0.000 0.251 201 T C 1.231 175.978 174.700 0.078 0.000 1.117 201 T CA 1.149 63.305 62.100 0.094 0.000 1.034 201 T CB 0.459 69.321 68.868 -0.010 0.000 0.968 201 T HN 1.250 nan 8.240 nan 0.000 0.526 202 G N 0.662 109.523 108.800 0.102 0.000 2.338 202 G HA2 0.455 4.415 3.960 -0.000 0.000 0.298 202 G HA3 0.455 4.415 3.960 -0.000 0.000 0.298 202 G C 0.685 175.623 174.900 0.063 0.000 1.140 202 G CA -0.061 45.077 45.100 0.064 0.000 0.860 202 G HN 0.365 nan 8.290 nan 0.000 0.470 203 T N -0.599 113.982 114.554 0.046 0.000 2.958 203 T HA 0.142 4.492 4.350 -0.000 0.000 0.256 203 T C 0.555 175.290 174.700 0.058 0.000 0.983 203 T CA -0.011 62.125 62.100 0.060 0.000 0.924 203 T CB 0.042 68.948 68.868 0.063 0.000 1.136 203 T HN 0.456 nan 8.240 nan 0.000 0.506 204 D N 1.114 121.527 120.400 0.021 0.000 2.390 204 D HA 0.010 4.650 4.640 -0.000 0.000 0.236 204 D C 1.369 177.671 176.300 0.003 0.000 1.189 204 D CA 0.056 54.057 54.000 0.001 0.000 0.887 204 D CB 0.462 41.203 40.800 -0.099 0.000 1.198 204 D HN 0.423 nan 8.370 nan 0.000 0.444 205 W N 2.045 123.332 121.300 -0.022 0.000 2.374 205 W HA -0.168 4.492 4.660 -0.000 0.000 0.288 205 W C 1.358 177.858 176.519 -0.032 0.000 1.218 205 W CA 1.411 58.737 57.345 -0.031 0.000 1.245 205 W CB -1.709 27.715 29.460 -0.060 0.000 1.126 205 W HN 0.419 nan 8.180 nan 0.000 0.545 206 T N -0.287 113.779 114.554 -0.813 0.000 2.777 206 T HA -0.198 4.152 4.350 -0.000 0.000 0.266 206 T C 1.483 176.021 174.700 -0.271 0.000 1.040 206 T CA 1.782 63.459 62.100 -0.705 0.000 1.141 206 T CB -0.714 67.645 68.868 -0.848 0.000 0.868 206 T HN 0.272 nan 8.240 nan 0.000 0.444 207 E N 1.058 121.138 120.200 -0.201 0.000 2.107 207 E HA -0.017 4.333 4.350 -0.000 0.000 0.191 207 E C 2.627 179.201 176.600 -0.044 0.000 0.982 207 E CA 0.618 56.963 56.400 -0.092 0.000 0.809 207 E CB -0.111 29.558 29.700 -0.052 0.000 0.756 207 E HN 0.496 nan 8.360 nan 0.000 0.459 208 R N 0.410 120.907 120.500 -0.005 0.000 2.073 208 R HA -0.076 4.264 4.340 -0.000 0.000 0.234 208 R C 2.402 178.707 176.300 0.008 0.000 1.134 208 R CA 1.404 57.525 56.100 0.035 0.000 0.952 208 R CB -0.283 30.070 30.300 0.089 0.000 0.850 208 R HN 0.194 nan 8.270 nan 0.000 0.433 209 M N 0.606 120.219 119.600 0.022 0.000 2.159 209 M HA -0.163 4.317 4.480 -0.000 0.000 0.263 209 M C 2.029 178.289 176.300 -0.067 0.000 1.063 209 M CA 1.661 56.980 55.300 0.033 0.000 1.110 209 M CB -0.004 32.661 32.600 0.108 0.000 1.374 209 M HN 0.122 nan 8.290 nan 0.000 0.411 210 I N 0.102 120.584 120.570 -0.146 0.000 2.179 210 I HA -0.357 3.812 4.170 -0.000 0.000 0.242 210 I C 2.357 178.151 176.117 -0.539 0.000 1.088 210 I CA 1.556 62.632 61.300 -0.374 0.000 1.357 210 I CB -0.437 37.376 38.000 -0.312 0.000 1.051 210 I HN 0.403 nan 8.210 nan 0.000 0.409 211 Q N 0.421 119.998 119.800 -0.372 0.000 2.124 211 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 211 Q C 2.200 178.010 176.000 -0.317 0.000 0.977 211 Q CA 1.357 56.894 55.803 -0.443 0.000 0.850 211 Q CB -0.093 28.572 28.738 -0.122 0.000 0.901 211 Q HN 0.468 nan 8.270 nan 0.000 0.429 212 K N 0.174 120.481 120.400 -0.156 0.000 2.103 212 K HA -0.035 4.285 4.320 -0.000 0.000 0.204 212 K C 2.141 178.708 176.600 -0.054 0.000 1.052 212 K CA 0.883 57.137 56.287 -0.056 0.000 0.945 212 K CB -0.084 32.424 32.500 0.014 0.000 0.722 212 K HN 0.119 nan 8.250 nan 0.000 0.443 213 A N 1.687 124.442 122.820 -0.109 0.000 1.877 213 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 213 A C 2.113 179.582 177.584 -0.190 0.000 1.186 213 A CA 1.343 53.341 52.037 -0.066 0.000 0.620 213 A CB -0.604 18.335 19.000 -0.100 0.000 0.822 213 A HN 0.163 nan 8.150 nan 0.000 0.443 214 I N -0.495 119.818 120.570 -0.430 0.000 2.179 214 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 214 I C 2.400 178.419 176.117 -0.164 0.000 1.088 214 I CA 1.264 62.336 61.300 -0.380 0.000 1.357 214 I CB -0.314 37.261 38.000 -0.707 0.000 1.051 214 I HN 0.287 nan 8.210 nan 0.000 0.409 215 L N 0.122 121.256 121.223 -0.149 0.000 2.093 215 L HA -0.181 4.158 4.340 -0.000 0.000 0.208 215 L C 2.491 179.399 176.870 0.064 0.000 1.085 215 L CA 1.304 56.150 54.840 0.010 0.000 0.755 215 L CB -0.434 41.654 42.059 0.049 0.000 0.904 215 L HN 0.112 nan 8.230 nan 0.000 0.435 216 K N 0.158 120.607 120.400 0.081 0.000 2.097 216 K HA -0.127 4.193 4.320 -0.000 0.000 0.205 216 K C 1.828 178.553 176.600 0.208 0.000 1.050 216 K CA 1.434 57.824 56.287 0.172 0.000 0.938 216 K CB -0.052 32.609 32.500 0.267 0.000 0.718 216 K HN 0.245 nan 8.250 nan 0.000 0.442 217 N N -0.160 118.607 118.700 0.112 0.000 2.142 217 N HA -0.142 4.598 4.740 -0.000 0.000 0.186 217 N C 1.677 177.240 175.510 0.089 0.000 1.023 217 N CA 0.818 53.896 53.050 0.046 0.000 0.852 217 N CB 0.033 38.467 38.487 -0.089 0.000 0.998 217 N HN -0.028 nan 8.380 nan 0.000 0.424 218 R N 1.284 121.832 120.500 0.081 0.000 2.073 218 R HA 0.026 4.366 4.340 -0.000 0.000 0.234 218 R C 1.763 178.122 176.300 0.098 0.000 1.134 218 R CA 1.246 57.403 56.100 0.096 0.000 0.952 218 R CB -0.805 29.568 30.300 0.122 0.000 0.850 218 R HN 0.257 nan 8.270 nan 0.000 0.433 219 I N 0.536 121.168 120.570 0.102 0.000 2.151 219 I HA -0.335 3.835 4.170 -0.000 0.000 0.243 219 I C 2.384 178.553 176.117 0.088 0.000 1.080 219 I CA 1.863 63.217 61.300 0.089 0.000 1.339 219 I CB -0.309 37.742 38.000 0.085 0.000 1.039 219 I HN 0.212 nan 8.210 nan 0.000 0.409 220 K N 0.899 121.369 120.400 0.117 0.000 2.103 220 K HA -0.033 4.287 4.320 -0.000 0.000 0.207 220 K C 0.931 177.588 176.600 0.095 0.000 1.048 220 K CA 1.189 57.548 56.287 0.120 0.000 0.930 220 K CB -0.181 32.431 32.500 0.188 0.000 0.716 220 K HN 0.477 nan 8.250 nan 0.000 0.444 221 G N -0.390 108.461 108.800 0.086 0.000 2.728 221 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.294 221 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.294 221 G C -1.604 173.317 174.900 0.035 0.000 1.342 221 G CA -0.306 44.823 45.100 0.049 0.000 0.866 221 G HN 0.248 nan 8.290 nan 0.000 0.534 222 L N 1.612 122.815 121.223 -0.033 0.000 2.287 222 L HA 0.731 5.071 4.340 -0.000 0.000 0.287 222 L C 1.044 177.901 176.870 -0.022 0.000 1.022 222 L CA 1.843 56.589 54.840 -0.158 0.000 0.814 222 L CB 0.893 42.798 42.059 -0.257 0.000 1.217 222 L HN 2.817 nan 8.230 nan 0.000 0.420 223 G N 3.956 112.847 108.800 0.153 0.000 2.760 223 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.246 223 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.246 223 G C 0.640 175.581 174.900 0.069 0.000 1.359 223 G CA 0.183 45.382 45.100 0.164 0.000 0.861 223 G HN 0.893 nan 8.290 nan 0.000 0.541 224 R N -0.383 120.125 120.500 0.013 0.000 2.133 224 R HA -0.179 4.161 4.340 -0.000 0.000 0.245 224 R C 1.762 177.989 176.300 -0.122 0.000 1.137 224 R CA 2.649 58.719 56.100 -0.050 0.000 0.947 224 R CB -0.368 29.888 30.300 -0.074 0.000 0.865 224 R HN 0.642 nan 8.270 nan 0.000 0.437 225 D N -1.553 118.711 120.400 -0.226 0.000 2.340 225 D HA 0.069 4.709 4.640 -0.000 0.000 0.220 225 D C 0.666 176.835 176.300 -0.218 0.000 1.039 225 D CA 0.955 54.701 54.000 -0.424 0.000 0.866 225 D CB 0.515 40.689 40.800 -1.044 0.000 0.913 225 D HN 0.563 nan 8.370 nan 0.000 0.523 226 G N 2.784 111.535 108.800 -0.081 0.000 2.272 226 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.280 226 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.280 226 G C 0.488 175.403 174.900 0.025 0.000 1.067 226 G CA 0.452 45.550 45.100 -0.004 0.000 0.902 226 G HN 0.513 nan 8.290 nan 0.000 0.500 227 I N -2.304 118.282 120.570 0.027 0.000 3.004 227 I HA 0.583 4.753 4.170 -0.000 0.000 0.287 227 I C 0.583 176.720 176.117 0.033 0.000 1.144 227 I CA -0.386 60.958 61.300 0.072 0.000 1.353 227 I CB 0.757 38.818 38.000 0.102 0.000 1.417 227 I HN 0.028 nan 8.210 nan 0.000 0.602 228 T N 5.462 120.034 114.554 0.029 0.000 2.737 228 T HA 0.307 4.657 4.350 -0.000 0.000 0.296 228 T C -2.179 172.523 174.700 0.003 0.000 0.922 228 T CA -0.691 61.416 62.100 0.013 0.000 1.079 228 T CB 0.201 69.063 68.868 -0.010 0.000 0.892 228 T HN 0.540 nan 8.240 nan 0.000 0.514 229 P HA 0.256 nan 4.420 nan 0.000 0.275 229 P C 0.671 177.977 177.300 0.010 0.000 1.228 229 P CA -0.593 62.510 63.100 0.005 0.000 0.786 229 P CB 0.762 32.467 31.700 0.008 0.000 0.927 230 I N 0.415 120.941 120.570 -0.074 0.000 2.406 230 I HA 0.035 4.205 4.170 -0.000 0.000 0.249 230 I C 1.087 176.978 176.117 -0.376 0.000 1.122 230 I CA 1.027 62.164 61.300 -0.272 0.000 1.431 230 I CB -1.149 36.549 38.000 -0.503 0.000 1.087 230 I HN 0.237 nan 8.210 nan 0.000 0.424 231 F N 0.196 120.216 119.950 0.116 0.000 2.603 231 F HA 0.466 4.993 4.527 -0.000 0.000 0.317 231 F C -2.332 173.503 175.800 0.058 0.000 1.066 231 F CA -2.376 55.683 58.000 0.099 0.000 0.941 231 F CB 1.524 40.591 39.000 0.111 0.000 1.291 231 F HN -0.328 nan 8.300 nan 0.000 0.472 232 P HA 0.095 nan 4.420 nan 0.000 0.271 232 P C -1.106 176.274 177.300 0.133 0.000 1.218 232 P CA -0.471 62.817 63.100 0.313 0.000 0.780 232 P CB 0.540 32.420 31.700 0.300 0.000 0.901 233 K N 1.998 122.449 120.400 0.085 0.000 2.382 233 K HA 0.207 4.527 4.320 -0.000 0.000 0.275 233 K C -0.170 176.260 176.600 -0.283 0.000 1.009 233 K CA 0.028 56.020 56.287 -0.490 0.000 0.970 233 K CB 0.078 32.465 32.500 -0.187 0.000 0.934 233 K HN 0.430 nan 8.250 nan 0.000 0.479 234 L N 2.840 123.823 121.223 -0.401 0.000 2.322 234 L HA 0.482 4.822 4.340 -0.000 0.000 0.281 234 L C -0.636 176.195 176.870 -0.066 0.000 1.014 234 L CA -1.136 53.702 54.840 -0.004 0.000 0.815 234 L CB 1.740 43.941 42.059 0.236 0.000 1.247 234 L HN 0.232 nan 8.230 nan 0.000 0.421 235 V N 3.761 123.537 119.914 -0.231 0.000 2.577 235 V HA 0.447 4.566 4.120 -0.000 0.000 0.303 235 V C -0.274 175.292 176.094 -0.880 0.000 1.042 235 V CA -0.430 61.629 62.300 -0.402 0.000 0.872 235 V CB 2.068 33.642 31.823 -0.413 0.000 0.998 235 V HN 0.806 nan 8.190 nan 0.000 0.423 236 M N 5.066 124.170 119.600 -0.827 0.000 2.268 236 M HA 0.622 5.102 4.480 -0.000 0.000 0.344 236 M C -1.335 174.609 176.300 -0.593 0.000 1.106 236 M CA -0.401 54.340 55.300 -0.932 0.000 1.010 236 M CB 1.200 33.399 32.600 -0.667 0.000 1.649 236 M HN 0.549 nan 8.290 nan 0.000 0.443 237 F N 4.100 123.886 119.950 -0.273 0.000 2.471 237 F HA 0.372 4.898 4.527 -0.000 0.000 0.353 237 F C 0.368 176.106 175.800 -0.103 0.000 1.113 237 F CA -0.504 57.407 58.000 -0.149 0.000 1.262 237 F CB 0.768 39.709 39.000 -0.098 0.000 1.146 237 F HN 0.399 nan 8.300 nan 0.000 0.578 238 V N 0.478 120.458 119.914 0.111 0.000 2.531 238 V HA 0.686 4.806 4.120 -0.000 0.000 0.301 238 V C -0.867 175.254 176.094 0.044 0.000 1.034 238 V CA -0.647 61.684 62.300 0.052 0.000 0.865 238 V CB 1.548 33.371 31.823 0.001 0.000 0.995 238 V HN 0.870 nan 8.190 nan 0.000 0.424 239 E N 2.107 122.329 120.200 0.037 0.000 2.356 239 E HA 0.396 4.746 4.350 -0.000 0.000 0.275 239 E C -1.042 175.571 176.600 0.021 0.000 0.904 239 E CA -0.754 55.660 56.400 0.024 0.000 0.757 239 E CB 2.541 32.260 29.700 0.031 0.000 1.232 239 E HN 1.013 nan 8.360 nan 0.000 0.442 240 E N 1.601 121.823 120.200 0.035 0.000 2.344 240 E HA 0.321 4.671 4.350 -0.000 0.000 0.270 240 E C 0.516 177.188 176.600 0.119 0.000 1.021 240 E CA 0.820 57.289 56.400 0.115 0.000 0.887 240 E CB 0.501 30.331 29.700 0.217 0.000 0.997 240 E HN 0.715 nan 8.360 nan 0.000 0.429 241 G N 2.305 111.194 108.800 0.149 0.000 2.175 241 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.244 241 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.244 241 G C 0.475 175.434 174.900 0.100 0.000 0.982 241 G CA 0.185 45.352 45.100 0.113 0.000 0.641 241 G HN 0.501 nan 8.290 nan 0.000 0.527 242 V N -0.171 119.806 119.914 0.105 0.000 3.278 242 V HA 0.269 4.389 4.120 -0.000 0.000 0.215 242 V C 1.325 177.498 176.094 0.133 0.000 1.287 242 V CA 1.652 64.014 62.300 0.104 0.000 1.302 242 V CB 0.389 32.263 31.823 0.084 0.000 1.228 242 V HN 0.736 nan 8.190 nan 0.000 0.523 243 N N -1.041 117.739 118.700 0.132 0.000 2.162 243 N HA 0.117 4.857 4.740 -0.000 0.000 0.232 243 N C 0.865 176.482 175.510 0.179 0.000 1.361 243 N CA -0.130 53.022 53.050 0.170 0.000 0.786 243 N CB 0.663 39.235 38.487 0.143 0.000 1.290 243 N HN 0.284 nan 8.380 nan 0.000 0.505 244 L N -0.022 121.257 121.223 0.093 0.000 2.253 244 L HA 0.447 4.787 4.340 -0.000 0.000 0.205 244 L C -0.440 176.382 176.870 -0.080 0.000 1.078 244 L CA 1.049 55.835 54.840 -0.089 0.000 0.805 244 L CB 0.059 41.880 42.059 -0.398 0.000 0.963 244 L HN 0.149 nan 8.230 nan 0.000 0.459 245 Y N -1.643 118.803 120.300 0.243 0.000 2.587 245 Y HA 0.264 4.814 4.550 -0.000 0.000 0.337 245 Y C 1.284 176.988 175.900 -0.327 0.000 1.065 245 Y CA -1.111 57.016 58.100 0.045 0.000 1.126 245 Y CB 1.086 39.550 38.460 0.006 0.000 1.279 245 Y HN -0.310 nan 8.280 nan 0.000 0.489 246 K N 0.471 120.581 120.400 -0.484 0.000 2.107 246 K HA -0.210 4.109 4.320 -0.000 0.000 0.211 246 K C 0.804 177.164 176.600 -0.400 0.000 1.049 246 K CA 2.150 57.915 56.287 -0.871 0.000 0.927 246 K CB -0.183 32.077 32.500 -0.401 0.000 0.714 246 K HN 0.617 nan 8.250 nan 0.000 0.452 247 D N 0.481 120.803 120.400 -0.130 0.000 2.347 247 D HA -0.031 4.609 4.640 -0.000 0.000 0.213 247 D C -0.336 175.995 176.300 0.052 0.000 0.985 247 D CA 0.381 54.367 54.000 -0.025 0.000 0.879 247 D CB -0.118 40.676 40.800 -0.010 0.000 0.919 247 D HN 0.185 nan 8.370 nan 0.000 0.526 248 D N 0.733 121.198 120.400 0.108 0.000 2.399 248 D HA 0.019 4.659 4.640 -0.000 0.000 0.241 248 D C -1.247 175.155 176.300 0.170 0.000 1.133 248 D CA -1.374 52.721 54.000 0.159 0.000 0.890 248 D CB 1.139 42.065 40.800 0.210 0.000 1.201 248 D HN -0.048 nan 8.370 nan 0.000 0.432 249 P HA -0.120 nan 4.420 nan 0.000 0.216 249 P C 0.411 177.802 177.300 0.153 0.000 1.153 249 P CA 1.162 64.339 63.100 0.130 0.000 0.858 249 P CB 0.290 32.054 31.700 0.106 0.000 0.789 250 N N -1.899 116.898 118.700 0.163 0.000 2.327 250 N HA 0.010 4.750 4.740 -0.000 0.000 0.231 250 N C 0.931 176.547 175.510 0.176 0.000 1.130 250 N CA -0.156 52.986 53.050 0.155 0.000 0.845 250 N CB -0.792 37.777 38.487 0.137 0.000 1.073 250 N HN 0.191 nan 8.380 nan 0.000 0.496 251 Y N 2.098 122.458 120.300 0.099 0.000 2.352 251 Y HA -0.203 4.347 4.550 -0.000 0.000 0.292 251 Y C 1.803 177.762 175.900 0.098 0.000 1.136 251 Y CA 1.484 59.646 58.100 0.102 0.000 1.227 251 Y CB 0.172 38.692 38.460 0.100 0.000 0.991 251 Y HN 0.146 nan 8.280 nan 0.000 0.545 252 D N -0.195 120.278 120.400 0.122 0.000 2.144 252 D HA -0.226 4.414 4.640 -0.000 0.000 0.200 252 D C 2.052 178.352 176.300 -0.001 0.000 0.978 252 D CA 1.686 55.714 54.000 0.046 0.000 0.833 252 D CB -0.935 39.922 40.800 0.094 0.000 0.961 252 D HN 0.492 nan 8.370 nan 0.000 0.470 253 I N 0.453 121.048 120.570 0.042 0.000 2.286 253 I HA -0.204 3.965 4.170 -0.000 0.000 0.248 253 I C 2.728 178.883 176.117 0.064 0.000 1.115 253 I CA 0.859 62.200 61.300 0.068 0.000 1.392 253 I CB -0.292 37.774 38.000 0.110 0.000 1.065 253 I HN -0.014 nan 8.210 nan 0.000 0.418 254 K N 0.651 121.052 120.400 0.002 0.000 2.103 254 K HA -0.237 4.083 4.320 -0.000 0.000 0.207 254 K C 2.125 178.684 176.600 -0.069 0.000 1.048 254 K CA 1.437 57.729 56.287 0.008 0.000 0.930 254 K CB 0.057 32.493 32.500 -0.107 0.000 0.716 254 K HN 0.304 nan 8.250 nan 0.000 0.444 255 Q N 0.474 120.149 119.800 -0.208 0.000 2.123 255 Q HA -0.128 4.211 4.340 -0.000 0.000 0.199 255 Q C 2.111 178.072 176.000 -0.065 0.000 0.966 255 Q CA 0.656 56.356 55.803 -0.172 0.000 0.845 255 Q CB -0.289 28.348 28.738 -0.168 0.000 0.907 255 Q HN 0.240 nan 8.270 nan 0.000 0.439 256 L N 0.882 122.100 121.223 -0.008 0.000 2.046 256 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 256 L C 2.114 179.033 176.870 0.081 0.000 1.077 256 L CA 2.049 56.912 54.840 0.038 0.000 0.747 256 L CB -1.035 41.059 42.059 0.058 0.000 0.896 256 L HN 0.135 nan 8.230 nan 0.000 0.432 257 A N -1.105 121.802 122.820 0.144 0.000 1.969 257 A HA -0.132 4.187 4.320 -0.000 0.000 0.218 257 A C 2.263 179.973 177.584 0.211 0.000 1.169 257 A CA 1.639 53.844 52.037 0.279 0.000 0.635 257 A CB -0.671 18.598 19.000 0.447 0.000 0.810 257 A HN 0.475 nan 8.150 nan 0.000 0.445 258 L N -0.890 120.293 121.223 -0.067 0.000 2.056 258 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 258 L C 2.639 179.412 176.870 -0.161 0.000 1.078 258 L CA 1.699 56.313 54.840 -0.375 0.000 0.749 258 L CB -0.398 41.363 42.059 -0.497 0.000 0.901 258 L HN 0.546 nan 8.230 nan 0.000 0.433 259 E N -0.462 119.693 120.200 -0.074 0.000 2.051 259 E HA -0.295 4.055 4.350 -0.000 0.000 0.192 259 E C 2.368 178.977 176.600 0.015 0.000 0.991 259 E CA 1.710 58.092 56.400 -0.030 0.000 0.799 259 E CB -0.095 29.598 29.700 -0.011 0.000 0.748 259 E HN 0.563 nan 8.360 nan 0.000 0.449 260 C N 0.433 119.771 119.300 0.064 0.000 2.436 260 C HA -0.083 4.377 4.460 -0.000 0.000 0.277 260 C C 2.958 178.019 174.990 0.117 0.000 1.241 260 C CA 1.480 60.562 59.018 0.107 0.000 1.721 260 C CB -1.222 26.615 27.740 0.162 0.000 2.043 260 C HN 0.602 nan 8.230 nan 0.000 0.472 261 A N 0.614 123.532 122.820 0.164 0.000 1.958 261 A HA -0.223 4.097 4.320 -0.000 0.000 0.221 261 A C 2.366 179.985 177.584 0.058 0.000 1.178 261 A CA 2.958 55.097 52.037 0.171 0.000 0.642 261 A CB -1.154 18.043 19.000 0.329 0.000 0.816 261 A HN 0.982 nan 8.150 nan 0.000 0.453 262 S N -1.079 114.625 115.700 0.008 0.000 2.461 262 S HA -0.011 4.458 4.470 -0.000 0.000 0.228 262 S C 1.640 176.225 174.600 -0.025 0.000 1.005 262 S CA 1.259 59.443 58.200 -0.027 0.000 0.942 262 S CB -0.123 63.045 63.200 -0.053 0.000 0.776 262 S HN 0.622 nan 8.310 nan 0.000 0.514 263 K N 0.190 120.586 120.400 -0.006 0.000 2.348 263 K HA 0.296 4.616 4.320 -0.000 0.000 0.194 263 K C 1.216 177.814 176.600 -0.004 0.000 1.052 263 K CA 0.113 56.395 56.287 -0.008 0.000 1.004 263 K CB 0.349 32.853 32.500 0.006 0.000 0.873 263 K HN 0.210 nan 8.250 nan 0.000 0.523 264 R N -0.676 119.831 120.500 0.012 0.000 2.527 264 R HA 0.268 4.608 4.340 -0.000 0.000 0.402 264 R C 0.380 176.666 176.300 -0.023 0.000 0.933 264 R CA 0.048 56.158 56.100 0.017 0.000 1.171 264 R CB 0.440 30.785 30.300 0.076 0.000 1.612 264 R HN 0.028 nan 8.270 nan 0.000 0.546 265 M N -0.205 119.359 119.600 -0.060 0.000 2.796 265 M HA -0.334 4.146 4.480 -0.000 0.000 0.134 265 M C -0.666 175.582 176.300 -0.086 0.000 0.713 265 M CA 1.802 57.009 55.300 -0.156 0.000 0.517 265 M CB -1.153 31.226 32.600 -0.368 0.000 1.907 265 M HN 0.164 nan 8.290 nan 0.000 0.252 266 Y N 2.046 122.395 120.300 0.081 0.000 2.357 266 Y HA 0.395 4.945 4.550 -0.000 0.000 0.340 266 Y C -1.915 174.090 175.900 0.175 0.000 1.260 266 Y CA -1.858 56.315 58.100 0.122 0.000 1.425 266 Y CB -0.482 38.052 38.460 0.123 0.000 1.326 266 Y HN 0.175 nan 8.280 nan 0.000 0.580 267 P HA 0.085 nan 4.420 nan 0.000 0.288 267 P C -0.883 176.564 177.300 0.246 0.000 1.267 267 P CA -0.472 62.828 63.100 0.335 0.000 0.815 267 P CB 1.189 33.004 31.700 0.191 0.000 0.989 268 D N 1.829 122.393 120.400 0.274 0.000 2.361 268 D HA 0.200 4.840 4.640 -0.000 0.000 0.239 268 D C 0.644 176.903 176.300 -0.069 0.000 1.200 268 D CA 0.423 54.512 54.000 0.148 0.000 0.915 268 D CB 0.508 41.531 40.800 0.372 0.000 1.170 268 D HN 0.366 nan 8.370 nan 0.000 0.444 269 I N -2.534 117.955 120.570 -0.135 0.000 2.740 269 I HA 0.572 4.741 4.170 -0.000 0.000 0.303 269 I C -0.763 175.357 176.117 0.006 0.000 1.044 269 I CA -0.989 60.158 61.300 -0.256 0.000 1.064 269 I CB 1.818 39.464 38.000 -0.591 0.000 1.249 269 I HN 0.107 nan 8.210 nan 0.000 0.433 270 I N 3.214 123.735 120.570 -0.081 0.000 2.433 270 I HA 0.242 4.412 4.170 -0.000 0.000 0.292 270 I C 0.201 176.381 176.117 0.104 0.000 1.001 270 I CA -0.619 60.724 61.300 0.071 0.000 1.119 270 I CB 2.141 40.171 38.000 0.050 0.000 1.289 270 I HN 0.727 nan 8.210 nan 0.000 0.438 271 S N 4.948 120.702 115.700 0.090 0.000 2.429 271 S HA 0.239 4.708 4.470 -0.000 0.000 0.292 271 S C 1.209 175.846 174.600 0.062 0.000 1.183 271 S CA -0.038 58.193 58.200 0.051 0.000 1.088 271 S CB 0.801 64.008 63.200 0.012 0.000 1.018 271 S HN 0.744 nan 8.310 nan 0.000 0.511 272 A N 5.988 128.847 122.820 0.066 0.000 1.908 272 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 272 A C 2.137 179.709 177.584 -0.021 0.000 1.181 272 A CA 1.869 53.907 52.037 0.003 0.000 0.627 272 A CB -0.605 18.375 19.000 -0.033 0.000 0.818 272 A HN 0.876 nan 8.150 nan 0.000 0.445 273 K N -0.526 119.871 120.400 -0.005 0.000 2.002 273 K HA -0.191 4.129 4.320 -0.000 0.000 0.209 273 K C 1.764 178.371 176.600 0.012 0.000 1.048 273 K CA 1.679 57.966 56.287 -0.000 0.000 0.930 273 K CB -0.234 32.269 32.500 0.005 0.000 0.714 273 K HN 0.453 nan 8.250 nan 0.000 0.438 274 N N 1.222 119.934 118.700 0.020 0.000 2.188 274 N HA -0.188 4.552 4.740 -0.000 0.000 0.184 274 N C 1.566 177.046 175.510 -0.050 0.000 1.018 274 N CA 0.873 53.945 53.050 0.037 0.000 0.858 274 N CB -0.650 37.854 38.487 0.029 0.000 0.989 274 N HN 0.371 nan 8.380 nan 0.000 0.426 275 N N 1.652 120.314 118.700 -0.064 0.000 2.069 275 N HA -0.138 4.602 4.740 -0.000 0.000 0.191 275 N C 1.228 176.683 175.510 -0.093 0.000 1.031 275 N CA 1.154 54.135 53.050 -0.115 0.000 0.852 275 N CB 0.113 38.561 38.487 -0.065 0.000 1.018 275 N HN 0.259 nan 8.380 nan 0.000 0.423 276 K N 0.344 120.711 120.400 -0.056 0.000 2.097 276 K HA 0.014 4.334 4.320 -0.000 0.000 0.205 276 K C 2.167 178.762 176.600 -0.008 0.000 1.050 276 K CA 0.964 57.228 56.287 -0.038 0.000 0.938 276 K CB -0.110 32.366 32.500 -0.040 0.000 0.718 276 K HN 0.198 nan 8.250 nan 0.000 0.442 277 A N 1.474 124.303 122.820 0.015 0.000 1.902 277 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 277 A C 2.109 179.731 177.584 0.063 0.000 1.181 277 A CA 1.394 53.465 52.037 0.056 0.000 0.623 277 A CB -0.528 18.542 19.000 0.116 0.000 0.818 277 A HN 0.160 nan 8.150 nan 0.000 0.443 278 I N -0.003 120.581 120.570 0.022 0.000 2.286 278 I HA -0.186 3.984 4.170 -0.000 0.000 0.245 278 I C 2.764 178.887 176.117 0.010 0.000 1.104 278 I CA 1.780 63.078 61.300 -0.003 0.000 1.397 278 I CB -0.354 37.551 38.000 -0.158 0.000 1.072 278 I HN 0.516 nan 8.210 nan 0.000 0.417 279 T N -1.985 112.561 114.554 -0.013 0.000 2.985 279 T HA 0.137 4.487 4.350 -0.000 0.000 0.266 279 T C 1.688 176.412 174.700 0.040 0.000 1.076 279 T CA 0.586 62.699 62.100 0.021 0.000 1.135 279 T CB -0.123 68.750 68.868 0.007 0.000 0.890 279 T HN 0.517 nan 8.240 nan 0.000 0.480 280 G N 0.789 109.606 108.800 0.028 0.000 2.147 280 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.244 280 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.244 280 G C 0.081 174.994 174.900 0.021 0.000 1.005 280 G CA 0.331 45.449 45.100 0.029 0.000 0.713 280 G HN 0.937 nan 8.290 nan 0.000 0.515 281 S N -0.879 114.827 115.700 0.010 0.000 2.565 281 S HA 0.678 5.147 4.470 -0.000 0.000 0.290 281 S C 1.627 176.217 174.600 -0.017 0.000 1.150 281 S CA 0.536 58.738 58.200 0.004 0.000 1.058 281 S CB 1.421 64.623 63.200 0.003 0.000 1.032 281 S HN 0.496 nan 8.310 nan 0.000 0.510 282 S N 1.763 117.452 115.700 -0.018 0.000 2.453 282 S HA 0.044 4.514 4.470 -0.000 0.000 0.231 282 S C 0.652 175.221 174.600 -0.052 0.000 1.005 282 S CA 0.630 58.813 58.200 -0.029 0.000 0.949 282 S CB -0.310 62.877 63.200 -0.022 0.000 0.774 282 S HN 0.800 nan 8.310 nan 0.000 0.510 283 V N -1.657 118.217 119.914 -0.068 0.000 2.864 283 V HA 0.615 4.735 4.120 -0.000 0.000 0.314 283 V C -3.288 172.700 176.094 -0.177 0.000 1.073 283 V CA -3.376 58.849 62.300 -0.124 0.000 0.956 283 V CB 1.198 32.954 31.823 -0.112 0.000 1.023 283 V HN -0.225 nan 8.190 nan 0.000 0.435 284 P HA 0.138 nan 4.420 nan 0.000 0.262 284 P C -0.479 176.658 177.300 -0.272 0.000 1.182 284 P CA 0.227 63.055 63.100 -0.454 0.000 0.761 284 P CB 0.478 31.461 31.700 -1.196 0.000 0.795 285 V N 4.178 124.081 119.914 -0.019 0.000 2.364 285 V HA 0.117 4.237 4.120 -0.000 0.000 0.272 285 V C 0.592 176.901 176.094 0.359 0.000 1.036 285 V CA -0.170 62.216 62.300 0.144 0.000 0.880 285 V CB 0.705 32.627 31.823 0.165 0.000 0.991 285 V HN 0.512 nan 8.190 nan 0.000 0.460 286 S N 7.782 123.677 115.700 0.326 0.000 2.572 286 S HA 0.247 4.717 4.470 -0.000 0.000 0.279 286 S C -2.151 172.448 174.600 -0.003 0.000 1.341 286 S CA -0.506 57.829 58.200 0.225 0.000 1.043 286 S CB 0.578 63.860 63.200 0.138 0.000 0.887 286 S HN 0.676 nan 8.310 nan 0.000 0.516 287 P HA 0.206 nan 4.420 nan 0.000 0.280 287 P C -0.902 176.185 177.300 -0.355 0.000 1.244 287 P CA -0.299 62.422 63.100 -0.633 0.000 0.784 287 P CB 0.362 31.567 31.700 -0.825 0.000 0.913 288 M N 2.435 121.837 119.600 -0.329 0.000 2.188 288 M HA 0.345 4.825 4.480 -0.000 0.000 0.354 288 M C 1.408 177.546 176.300 -0.271 0.000 1.342 288 M CA 0.623 55.753 55.300 -0.283 0.000 1.117 288 M CB 0.032 32.469 32.600 -0.272 0.000 1.670 288 M HN 0.734 nan 8.290 nan 0.000 0.466 289 G N 2.122 110.720 108.800 -0.336 0.000 2.596 289 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.295 289 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.295 289 G C 0.746 175.640 174.900 -0.010 0.000 1.240 289 G CA 0.093 44.965 45.100 -0.379 0.000 0.985 289 G HN 0.770 nan 8.290 nan 0.000 0.555 290 C N 1.090 120.567 119.300 0.295 0.000 2.442 290 C HA 0.184 4.643 4.460 -0.000 0.000 0.279 290 C C 1.895 176.980 174.990 0.159 0.000 1.237 290 C CA 1.964 61.157 59.018 0.293 0.000 1.722 290 C CB -0.936 26.945 27.740 0.234 0.000 2.056 290 C HN 0.902 nan 8.230 nan 0.000 0.469 291 R N -0.866 119.664 120.500 0.050 0.000 2.452 291 R HA 0.133 4.473 4.340 -0.000 0.000 0.361 291 R C -0.611 175.541 176.300 -0.246 0.000 0.918 291 R CA 0.199 56.220 56.100 -0.132 0.000 1.080 291 R CB -0.828 29.509 30.300 0.061 0.000 1.471 291 R HN 0.270 nan 8.270 nan 0.000 0.633 292 S N 1.301 116.889 115.700 -0.187 0.000 2.465 292 S HA 0.559 5.029 4.470 -0.000 0.000 0.279 292 S C -0.787 173.599 174.600 -0.358 0.000 1.201 292 S CA -0.345 57.780 58.200 -0.124 0.000 1.053 292 S CB 0.026 63.108 63.200 -0.196 0.000 0.953 292 S HN 0.296 nan 8.310 nan 0.000 0.488 293 F N 4.833 124.791 119.950 0.013 0.000 2.427 293 F HA 0.459 4.986 4.527 -0.000 0.000 0.346 293 F C 0.362 176.162 175.800 0.001 0.000 1.120 293 F CA -0.966 57.024 58.000 -0.016 0.000 1.033 293 F CB 1.157 40.146 39.000 -0.019 0.000 1.126 293 F HN 0.332 nan 8.300 nan 0.000 0.462 294 L N 2.564 123.887 121.223 0.167 0.000 2.452 294 L HA 0.292 4.632 4.340 -0.000 0.000 0.267 294 L C 0.620 177.575 176.870 0.141 0.000 1.188 294 L CA -0.227 54.669 54.840 0.095 0.000 0.821 294 L CB 0.864 42.945 42.059 0.037 0.000 1.102 294 L HN 0.716 nan 8.230 nan 0.000 0.470 295 S N 1.101 116.874 115.700 0.121 0.000 2.745 295 S HA 0.433 4.902 4.470 -0.000 0.000 0.292 295 S C -0.215 174.468 174.600 0.140 0.000 1.133 295 S CA -0.882 57.393 58.200 0.125 0.000 0.998 295 S CB 1.776 65.052 63.200 0.127 0.000 1.087 295 S HN 0.387 nan 8.310 nan 0.000 0.551 296 V N 1.669 121.660 119.914 0.129 0.000 2.694 296 V HA 0.332 4.452 4.120 -0.000 0.000 0.306 296 V C -0.723 175.510 176.094 0.232 0.000 1.054 296 V CA 0.474 62.859 62.300 0.141 0.000 1.161 296 V CB 0.138 32.011 31.823 0.083 0.000 0.916 296 V HN 0.832 nan 8.190 nan 0.000 0.490 297 W N 6.611 127.918 121.300 0.012 0.000 3.256 297 W HA 0.583 5.243 4.660 -0.000 0.000 0.324 297 W C -1.063 175.458 176.519 0.004 0.000 1.196 297 W CA -0.981 56.370 57.345 0.010 0.000 1.206 297 W CB 1.525 30.990 29.460 0.009 0.000 1.385 297 W HN 0.433 nan 8.180 nan 0.000 0.522 298 K N 3.792 123.735 120.400 -0.762 0.000 2.324 298 K HA 0.243 4.563 4.320 -0.000 0.000 0.253 298 K C -0.239 175.574 176.600 -1.312 0.000 0.932 298 K CA -0.823 55.041 56.287 -0.705 0.000 0.799 298 K CB 1.863 34.123 32.500 -0.401 0.000 1.154 298 K HN 0.553 nan 8.250 nan 0.000 0.425 299 D N 0.428 120.330 120.400 -0.830 0.000 2.356 299 D HA -0.076 4.563 4.640 -0.000 0.000 0.258 299 D C 0.993 177.067 176.300 -0.376 0.000 1.279 299 D CA -0.206 53.413 54.000 -0.635 0.000 1.016 299 D CB 0.299 41.013 40.800 -0.144 0.000 1.107 299 D HN 0.377 nan 8.370 nan 0.000 0.544 300 S N -2.225 113.362 115.700 -0.187 0.000 2.474 300 S HA -0.124 4.346 4.470 -0.000 0.000 0.235 300 S C 1.387 175.927 174.600 -0.101 0.000 0.997 300 S CA 1.067 59.194 58.200 -0.121 0.000 0.949 300 S CB -1.147 62.024 63.200 -0.049 0.000 0.766 300 S HN 0.688 nan 8.310 nan 0.000 0.517 301 T N -2.979 111.517 114.554 -0.096 0.000 3.214 301 T HA 0.599 4.948 4.350 -0.000 0.000 0.264 301 T C 1.267 175.916 174.700 -0.086 0.000 1.012 301 T CA 0.129 62.186 62.100 -0.073 0.000 0.901 301 T CB 0.018 68.860 68.868 -0.043 0.000 1.070 301 T HN 1.029 nan 8.240 nan 0.000 0.561 302 G N 1.480 110.201 108.800 -0.131 0.000 2.148 302 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.254 302 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.254 302 G C -0.229 174.605 174.900 -0.111 0.000 0.981 302 G CA -0.284 44.738 45.100 -0.129 0.000 0.670 302 G HN 0.647 nan 8.290 nan 0.000 0.528 303 N N 0.755 119.392 118.700 -0.106 0.000 2.518 303 N HA 0.474 5.214 4.740 -0.000 0.000 0.283 303 N C -0.096 175.379 175.510 -0.059 0.000 1.119 303 N CA -0.276 52.738 53.050 -0.061 0.000 0.983 303 N CB 0.802 39.272 38.487 -0.027 0.000 1.139 303 N HN 0.379 nan 8.380 nan 0.000 0.465 304 E N 1.799 121.988 120.200 -0.018 0.000 2.223 304 E HA 0.198 4.548 4.350 -0.000 0.000 0.282 304 E C -0.399 176.249 176.600 0.079 0.000 1.046 304 E CA -0.204 56.209 56.400 0.021 0.000 0.857 304 E CB 0.767 30.477 29.700 0.017 0.000 1.055 304 E HN 0.312 nan 8.360 nan 0.000 0.409 305 I N 4.314 124.991 120.570 0.180 0.000 2.441 305 I HA 0.140 4.310 4.170 -0.000 0.000 0.295 305 I C 0.283 176.507 176.117 0.178 0.000 0.994 305 I CA -0.298 61.132 61.300 0.217 0.000 1.144 305 I CB 1.445 39.672 38.000 0.377 0.000 1.314 305 I HN 0.557 nan 8.210 nan 0.000 0.445 306 L N 3.108 124.387 121.223 0.094 0.000 2.862 306 L HA 0.307 4.646 4.340 -0.000 0.000 0.169 306 L C 0.224 177.097 176.870 0.005 0.000 1.164 306 L CA 0.733 55.601 54.840 0.047 0.000 0.858 306 L CB -0.238 41.844 42.059 0.039 0.000 1.329 306 L HN 0.428 nan 8.230 nan 0.000 0.514 307 D N 0.647 121.054 120.400 0.012 0.000 2.458 307 D HA 0.394 5.034 4.640 -0.000 0.000 0.243 307 D C 1.146 177.435 176.300 -0.017 0.000 1.146 307 D CA 1.360 55.354 54.000 -0.009 0.000 0.877 307 D CB 0.826 41.634 40.800 0.012 0.000 1.176 307 D HN 0.532 nan 8.370 nan 0.000 0.461 308 G N 2.563 111.335 108.800 -0.046 0.000 2.232 308 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.226 308 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.226 308 G C 0.504 175.297 174.900 -0.180 0.000 0.996 308 G CA -0.346 44.736 45.100 -0.029 0.000 0.626 308 G HN 0.508 nan 8.290 nan 0.000 0.509 309 R N 1.137 121.505 120.500 -0.221 0.000 2.560 309 R HA 0.572 4.912 4.340 -0.000 0.000 0.270 309 R C 0.375 176.412 176.300 -0.439 0.000 1.074 309 R CA 0.201 56.099 56.100 -0.337 0.000 1.140 309 R CB 0.573 30.713 30.300 -0.267 0.000 1.073 309 R HN 0.565 nan 8.270 nan 0.000 0.527 310 N N 0.289 118.676 118.700 -0.522 0.000 3.157 310 N HA 0.176 4.916 4.740 -0.000 0.000 0.291 310 N C -1.542 173.701 175.510 -0.446 0.000 1.515 310 N CA -1.027 51.691 53.050 -0.553 0.000 0.807 310 N CB 0.903 38.865 38.487 -0.875 0.000 1.672 310 N HN 0.521 nan 8.380 nan 0.000 0.592 311 N N -1.204 117.239 118.700 -0.427 0.000 2.269 311 N HA 0.455 5.195 4.740 -0.000 0.000 0.304 311 N C -0.535 174.731 175.510 -0.407 0.000 1.072 311 N CA -0.580 52.245 53.050 -0.375 0.000 0.802 311 N CB 1.153 39.444 38.487 -0.328 0.000 1.348 311 N HN 0.410 nan 8.380 nan 0.000 0.484 312 L N 1.680 122.676 121.223 -0.378 0.000 2.585 312 L HA 0.566 4.906 4.340 -0.000 0.000 0.226 312 L C 0.880 177.646 176.870 -0.173 0.000 1.113 312 L CA 0.447 55.069 54.840 -0.364 0.000 0.876 312 L CB -0.568 41.249 42.059 -0.405 0.000 1.072 312 L HN 0.835 nan 8.230 nan 0.000 0.468 313 G N -1.682 107.040 108.800 -0.129 0.000 2.347 313 G HA2 0.311 4.271 3.960 -0.000 0.000 0.321 313 G HA3 0.311 4.271 3.960 -0.000 0.000 0.321 313 G C -1.910 172.980 174.900 -0.017 0.000 1.412 313 G CA -0.631 44.478 45.100 0.015 0.000 0.990 313 G HN -0.230 nan 8.290 nan 0.000 0.637 314 V N -0.330 119.619 119.914 0.059 0.000 2.588 314 V HA 0.763 4.883 4.120 -0.000 0.000 0.304 314 V C -0.152 176.133 176.094 0.320 0.000 1.042 314 V CA -0.811 61.546 62.300 0.095 0.000 0.877 314 V CB 1.670 33.411 31.823 -0.137 0.000 0.996 314 V HN 0.915 nan 8.190 nan 0.000 0.425 315 V N 3.035 123.159 119.914 0.349 0.000 2.588 315 V HA 0.599 4.719 4.120 -0.000 0.000 0.304 315 V C -0.036 176.332 176.094 0.456 0.000 1.042 315 V CA -0.253 62.281 62.300 0.390 0.000 0.877 315 V CB 2.446 34.423 31.823 0.258 0.000 0.996 315 V HN 0.948 nan 8.190 nan 0.000 0.425 316 T N 5.656 120.516 114.554 0.509 0.000 2.807 316 T HA 0.506 4.856 4.350 -0.000 0.000 0.279 316 T C -0.620 174.370 174.700 0.484 0.000 0.993 316 T CA -0.319 62.099 62.100 0.530 0.000 0.970 316 T CB 1.281 70.534 68.868 0.641 0.000 0.950 316 T HN 0.410 nan 8.240 nan 0.000 0.441 317 L N 4.084 125.540 121.223 0.389 0.000 2.264 317 L HA 0.405 4.745 4.340 -0.000 0.000 0.289 317 L C 0.210 177.173 176.870 0.155 0.000 1.044 317 L CA -0.680 54.309 54.840 0.248 0.000 0.807 317 L CB 0.808 42.998 42.059 0.217 0.000 1.192 317 L HN 0.556 nan 8.230 nan 0.000 0.425 318 N N 5.153 123.765 118.700 -0.147 0.000 2.406 318 N HA 0.054 4.794 4.740 -0.000 0.000 0.269 318 N C 0.877 176.308 175.510 -0.132 0.000 1.210 318 N CA 0.123 52.893 53.050 -0.467 0.000 0.966 318 N CB 0.583 38.445 38.487 -1.041 0.000 1.293 318 N HN 0.663 nan 8.380 nan 0.000 0.491 319 L N 4.452 125.673 121.223 -0.004 0.000 2.027 319 L HA -0.026 4.314 4.340 -0.000 0.000 0.206 319 L C -0.581 176.304 176.870 0.025 0.000 1.074 319 L CA 0.977 55.865 54.840 0.081 0.000 0.745 319 L CB -1.318 40.839 42.059 0.164 0.000 0.898 319 L HN 0.384 nan 8.230 nan 0.000 0.433 320 P HA -0.218 nan 4.420 nan 0.000 0.216 320 P C 1.397 178.648 177.300 -0.083 0.000 1.153 320 P CA 1.271 64.234 63.100 -0.228 0.000 0.858 320 P CB -0.034 31.253 31.700 -0.688 0.000 0.789 321 R N 0.221 120.690 120.500 -0.052 0.000 2.127 321 R HA -0.092 4.248 4.340 -0.000 0.000 0.238 321 R C 2.134 178.481 176.300 0.078 0.000 1.134 321 R CA 1.408 57.520 56.100 0.020 0.000 0.975 321 R CB -1.575 28.727 30.300 0.004 0.000 0.865 321 R HN 0.171 nan 8.270 nan 0.000 0.447 322 I N -0.006 120.625 120.570 0.102 0.000 2.163 322 I HA -0.289 3.881 4.170 -0.000 0.000 0.243 322 I C 2.291 178.616 176.117 0.346 0.000 1.085 322 I CA 1.605 63.000 61.300 0.157 0.000 1.347 322 I CB -0.720 37.334 38.000 0.091 0.000 1.044 322 I HN 0.277 nan 8.210 nan 0.000 0.408 323 A N 1.185 124.281 122.820 0.460 0.000 1.873 323 A HA -0.126 4.194 4.320 -0.000 0.000 0.215 323 A C 2.332 180.156 177.584 0.401 0.000 1.186 323 A CA 1.273 53.649 52.037 0.564 0.000 0.616 323 A CB -0.864 18.294 19.000 0.263 0.000 0.823 323 A HN 0.368 nan 8.150 nan 0.000 0.442 324 L N -0.386 120.878 121.223 0.068 0.000 2.079 324 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 324 L C 1.528 178.342 176.870 -0.094 0.000 1.081 324 L CA 1.453 56.124 54.840 -0.283 0.000 0.752 324 L CB -0.534 41.107 42.059 -0.696 0.000 0.896 324 L HN 0.281 nan 8.230 nan 0.000 0.433 325 D N -1.185 119.293 120.400 0.131 0.000 2.363 325 D HA -0.071 4.568 4.640 -0.000 0.000 0.220 325 D C 1.974 178.416 176.300 0.237 0.000 0.994 325 D CA 0.983 55.138 54.000 0.258 0.000 0.890 325 D CB 0.162 41.094 40.800 0.221 0.000 0.906 325 D HN 0.311 nan 8.370 nan 0.000 0.530 326 S N -1.194 114.674 115.700 0.281 0.000 2.539 326 S HA 0.053 4.523 4.470 -0.000 0.000 0.221 326 S C 0.395 175.073 174.600 0.131 0.000 0.987 326 S CA -0.613 57.701 58.200 0.189 0.000 0.929 326 S CB -0.200 63.138 63.200 0.231 0.000 0.832 326 S HN -0.035 nan 8.310 nan 0.000 0.492 327 Y N 2.176 122.539 120.300 0.104 0.000 2.377 327 Y HA 0.423 4.973 4.550 -0.000 0.000 0.330 327 Y C 0.459 176.405 175.900 0.077 0.000 1.108 327 Y CA -0.884 57.272 58.100 0.093 0.000 1.308 327 Y CB 0.468 38.972 38.460 0.074 0.000 1.216 327 Y HN 0.231 nan 8.280 nan 0.000 0.518 328 I N 4.483 125.106 120.570 0.088 0.000 2.354 328 I HA 0.298 4.468 4.170 -0.000 0.000 0.286 328 I C 0.838 177.015 176.117 0.099 0.000 1.007 328 I CA -0.132 61.213 61.300 0.075 0.000 1.167 328 I CB 0.641 38.641 38.000 -0.001 0.000 1.320 328 I HN 0.877 nan 8.210 nan 0.000 0.458 329 G N 5.795 114.675 108.800 0.132 0.000 2.574 329 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.286 329 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.286 329 G C 0.624 175.653 174.900 0.216 0.000 1.212 329 G CA 0.548 45.730 45.100 0.135 0.000 0.979 329 G HN 0.703 nan 8.290 nan 0.000 0.557 330 T N -1.553 113.116 114.554 0.191 0.000 3.278 330 T HA 0.507 4.857 4.350 -0.000 0.000 0.251 330 T C 0.497 175.384 174.700 0.312 0.000 1.039 330 T CA 1.290 63.552 62.100 0.270 0.000 0.935 330 T CB 0.333 69.293 68.868 0.154 0.000 1.034 330 T HN 0.789 nan 8.240 nan 0.000 0.575 331 Q N 0.613 120.500 119.800 0.145 0.000 2.304 331 Q HA 0.480 4.820 4.340 -0.000 0.000 0.270 331 Q C -1.365 174.295 176.000 -0.567 0.000 1.035 331 Q CA -1.167 54.548 55.803 -0.147 0.000 0.781 331 Q CB 1.284 29.985 28.738 -0.061 0.000 1.261 331 Q HN 0.353 nan 8.270 nan 0.000 0.444 332 F N 4.001 123.275 119.950 -1.128 0.000 2.608 332 F HA 0.080 4.607 4.527 -0.000 0.000 0.380 332 F C -0.177 175.373 175.800 -0.416 0.000 1.083 332 F CA 0.544 57.954 58.000 -0.983 0.000 1.266 332 F CB 0.454 39.046 39.000 -0.679 0.000 1.076 332 F HN 0.547 nan 8.300 nan 0.000 0.574 333 N N 5.714 123.930 118.700 -0.807 0.000 2.501 333 N HA 0.031 4.771 4.740 -0.000 0.000 0.245 333 N C 0.822 175.798 175.510 -0.890 0.000 0.974 333 N CA -0.164 52.508 53.050 -0.629 0.000 0.941 333 N CB 0.788 39.086 38.487 -0.315 0.000 1.122 333 N HN 0.915 nan 8.380 nan 0.000 0.507 334 E N 2.136 121.893 120.200 -0.738 0.000 2.118 334 E HA -0.290 4.060 4.350 -0.000 0.000 0.195 334 E C 1.329 177.826 176.600 -0.171 0.000 0.992 334 E CA 1.485 57.609 56.400 -0.459 0.000 0.804 334 E CB 0.348 29.961 29.700 -0.145 0.000 0.741 334 E HN 0.584 nan 8.360 nan 0.000 0.458 335 Q N 1.136 120.852 119.800 -0.141 0.000 2.046 335 Q HA -0.183 4.157 4.340 -0.000 0.000 0.200 335 Q C 1.912 177.895 176.000 -0.029 0.000 0.975 335 Q CA 1.894 57.666 55.803 -0.052 0.000 0.836 335 Q CB -0.179 28.529 28.738 -0.050 0.000 0.896 335 Q HN -0.024 nan 8.270 nan 0.000 0.428 336 K N -0.502 119.856 120.400 -0.070 0.000 2.103 336 K HA -0.143 4.176 4.320 -0.000 0.000 0.207 336 K C 1.753 178.374 176.600 0.035 0.000 1.048 336 K CA 1.457 57.729 56.287 -0.025 0.000 0.930 336 K CB -0.738 31.736 32.500 -0.043 0.000 0.716 336 K HN 0.331 nan 8.250 nan 0.000 0.444 337 F N -0.196 119.673 119.950 -0.135 0.000 2.134 337 F HA -0.138 4.389 4.527 -0.000 0.000 0.299 337 F C 1.694 177.540 175.800 0.077 0.000 1.097 337 F CA 1.148 59.141 58.000 -0.012 0.000 1.264 337 F CB -0.193 38.793 39.000 -0.022 0.000 1.001 337 F HN -0.169 nan 8.300 nan 0.000 0.479 338 V N 0.223 120.215 119.914 0.130 0.000 2.515 338 V HA -0.269 3.850 4.120 -0.000 0.000 0.250 338 V C 2.153 178.294 176.094 0.079 0.000 1.058 338 V CA 2.236 64.590 62.300 0.090 0.000 1.064 338 V CB -0.575 31.311 31.823 0.105 0.000 0.675 338 V HN 0.347 nan 8.190 nan 0.000 0.461 339 E N -0.230 119.998 120.200 0.046 0.000 2.107 339 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 339 E C 2.171 178.784 176.600 0.022 0.000 0.982 339 E CA 0.943 57.366 56.400 0.039 0.000 0.809 339 E CB -0.053 29.663 29.700 0.026 0.000 0.756 339 E HN 0.508 nan 8.360 nan 0.000 0.459 340 L N -0.188 121.033 121.223 -0.003 0.000 2.162 340 L HA -0.036 4.304 4.340 -0.000 0.000 0.205 340 L C 2.234 179.071 176.870 -0.056 0.000 1.086 340 L CA 0.321 55.150 54.840 -0.018 0.000 0.778 340 L CB -0.297 41.758 42.059 -0.006 0.000 0.928 340 L HN 0.133 nan 8.230 nan 0.000 0.446 341 F N 1.912 121.696 119.950 -0.277 0.000 2.043 341 F HA -0.284 4.243 4.527 -0.000 0.000 0.297 341 F C 2.351 178.054 175.800 -0.163 0.000 1.121 341 F CA 1.929 59.748 58.000 -0.302 0.000 1.199 341 F CB -0.304 38.422 39.000 -0.457 0.000 0.968 341 F HN 0.102 nan 8.300 nan 0.000 0.478 342 N N 0.577 119.250 118.700 -0.045 0.000 2.104 342 N HA -0.233 4.507 4.740 -0.000 0.000 0.190 342 N C 1.910 177.364 175.510 -0.093 0.000 1.024 342 N CA 1.635 54.645 53.050 -0.066 0.000 0.853 342 N CB -0.753 37.807 38.487 0.122 0.000 1.008 342 N HN 0.643 nan 8.380 nan 0.000 0.424 343 E N 0.780 120.948 120.200 -0.052 0.000 2.150 343 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 343 E C 1.767 178.348 176.600 -0.032 0.000 0.985 343 E CA 0.765 57.151 56.400 -0.023 0.000 0.814 343 E CB 0.117 29.815 29.700 -0.003 0.000 0.752 343 E HN 0.250 nan 8.360 nan 0.000 0.466 344 R N -0.729 119.714 120.500 -0.094 0.000 2.161 344 R HA 0.070 4.410 4.340 -0.000 0.000 0.213 344 R C 2.394 178.645 176.300 -0.081 0.000 1.055 344 R CA 0.733 56.794 56.100 -0.066 0.000 0.996 344 R CB 0.067 30.322 30.300 -0.075 0.000 0.901 344 R HN 0.261 nan 8.270 nan 0.000 0.456 345 M N 0.568 120.025 119.600 -0.240 0.000 2.099 345 M HA -0.134 4.346 4.480 -0.000 0.000 0.262 345 M C 1.206 177.614 176.300 0.179 0.000 1.067 345 M CA 1.692 56.909 55.300 -0.138 0.000 1.124 345 M CB -0.704 31.527 32.600 -0.615 0.000 1.353 345 M HN -0.021 nan 8.290 nan 0.000 0.410 346 D N 0.706 121.157 120.400 0.086 0.000 2.116 346 D HA -0.166 4.474 4.640 -0.000 0.000 0.193 346 D C 1.952 178.316 176.300 0.107 0.000 0.998 346 D CA 0.950 55.001 54.000 0.085 0.000 0.836 346 D CB -0.392 40.439 40.800 0.052 0.000 0.951 346 D HN 0.195 nan 8.370 nan 0.000 0.449 347 L N 0.240 121.533 121.223 0.118 0.000 2.012 347 L HA -0.180 4.159 4.340 -0.000 0.000 0.210 347 L C 2.090 179.025 176.870 0.108 0.000 1.073 347 L CA 1.661 56.603 54.840 0.171 0.000 0.748 347 L CB -0.619 41.537 42.059 0.163 0.000 0.891 347 L HN 0.107 nan 8.230 nan 0.000 0.431 348 C N -0.715 118.655 119.300 0.117 0.000 2.413 348 C HA -0.186 4.274 4.460 -0.000 0.000 0.277 348 C C 2.612 177.612 174.990 0.017 0.000 1.265 348 C CA 0.943 60.045 59.018 0.140 0.000 1.752 348 C CB -1.411 26.497 27.740 0.280 0.000 1.998 348 C HN 0.735 nan 8.230 nan 0.000 0.489 349 F N 2.081 121.777 119.950 -0.423 0.000 2.216 349 F HA -0.127 4.399 4.527 -0.000 0.000 0.300 349 F C 2.209 177.762 175.800 -0.411 0.000 1.085 349 F CA 2.034 59.473 58.000 -0.935 0.000 1.326 349 F CB -0.298 37.663 39.000 -1.732 0.000 1.027 349 F HN 0.112 nan 8.300 nan 0.000 0.497 350 E N 0.333 120.397 120.200 -0.226 0.000 2.152 350 E HA -0.016 4.334 4.350 -0.000 0.000 0.192 350 E C 2.184 178.651 176.600 -0.221 0.000 0.983 350 E CA 1.127 57.419 56.400 -0.180 0.000 0.818 350 E CB -0.393 29.391 29.700 0.140 0.000 0.758 350 E HN 0.435 nan 8.360 nan 0.000 0.467 351 A N -0.019 122.699 122.820 -0.169 0.000 1.898 351 A HA -0.043 4.277 4.320 -0.000 0.000 0.214 351 A C 2.172 179.675 177.584 -0.135 0.000 1.183 351 A CA 0.800 52.746 52.037 -0.151 0.000 0.622 351 A CB -0.545 18.406 19.000 -0.081 0.000 0.824 351 A HN 0.260 nan 8.150 nan 0.000 0.444 352 L N -0.888 120.267 121.223 -0.114 0.000 2.046 352 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 352 L C 2.745 179.504 176.870 -0.184 0.000 1.077 352 L CA 1.057 55.862 54.840 -0.059 0.000 0.747 352 L CB -0.387 41.764 42.059 0.154 0.000 0.896 352 L HN 0.323 nan 8.230 nan 0.000 0.432 353 M N -1.237 118.145 119.600 -0.362 0.000 2.229 353 M HA -0.215 4.265 4.480 -0.000 0.000 0.264 353 M C 2.573 178.718 176.300 -0.259 0.000 1.063 353 M CA 1.169 56.229 55.300 -0.401 0.000 1.114 353 M CB -1.651 30.538 32.600 -0.684 0.000 1.387 353 M HN 0.456 nan 8.290 nan 0.000 0.420 354 C N 2.159 121.328 119.300 -0.219 0.000 2.398 354 C HA -0.211 4.248 4.460 -0.000 0.000 0.276 354 C C 3.081 178.000 174.990 -0.119 0.000 1.222 354 C CA 1.588 60.516 59.018 -0.151 0.000 1.746 354 C CB -0.827 26.819 27.740 -0.157 0.000 2.039 354 C HN 0.596 nan 8.230 nan 0.000 0.470 355 R N 0.505 120.934 120.500 -0.118 0.000 2.093 355 R HA 0.043 4.383 4.340 -0.000 0.000 0.224 355 R C 2.125 178.374 176.300 -0.084 0.000 1.101 355 R CA 1.692 57.746 56.100 -0.076 0.000 0.979 355 R CB -0.776 29.495 30.300 -0.047 0.000 0.877 355 R HN 0.483 nan 8.270 nan 0.000 0.441 356 I N 1.638 122.111 120.570 -0.161 0.000 2.286 356 I HA -0.223 3.947 4.170 -0.000 0.000 0.248 356 I C 2.270 178.315 176.117 -0.119 0.000 1.115 356 I CA 1.165 62.336 61.300 -0.215 0.000 1.392 356 I CB -0.247 37.468 38.000 -0.474 0.000 1.065 356 I HN 0.181 nan 8.210 nan 0.000 0.418 357 S N 0.368 116.006 115.700 -0.103 0.000 2.382 357 S HA -0.194 4.276 4.470 -0.000 0.000 0.228 357 S C 2.252 176.843 174.600 -0.015 0.000 1.027 357 S CA 1.686 59.860 58.200 -0.043 0.000 0.991 357 S CB -0.289 62.883 63.200 -0.047 0.000 0.823 357 S HN 0.656 nan 8.310 nan 0.000 0.469 358 S N 1.821 117.510 115.700 -0.018 0.000 2.387 358 S HA -0.083 4.386 4.470 -0.000 0.000 0.230 358 S C 1.723 176.336 174.600 0.022 0.000 1.035 358 S CA 1.124 59.327 58.200 0.004 0.000 1.014 358 S CB -0.761 62.447 63.200 0.012 0.000 0.836 358 S HN 0.542 nan 8.310 nan 0.000 0.466 359 L N 0.497 121.743 121.223 0.037 0.000 2.362 359 L HA 0.079 4.419 4.340 -0.000 0.000 0.219 359 L C 1.088 177.987 176.870 0.048 0.000 1.134 359 L CA 0.613 55.496 54.840 0.071 0.000 0.807 359 L CB -0.564 41.588 42.059 0.154 0.000 0.927 359 L HN 0.212 nan 8.230 nan 0.000 0.447 360 K N 0.657 121.079 120.400 0.037 0.000 2.447 360 K HA 0.182 4.502 4.320 -0.000 0.000 0.281 360 K C 1.105 177.708 176.600 0.004 0.000 1.031 360 K CA 0.712 57.015 56.287 0.026 0.000 1.019 360 K CB 0.434 32.952 32.500 0.031 0.000 0.918 360 K HN 0.238 nan 8.250 nan 0.000 0.476 361 G N 1.379 110.171 108.800 -0.012 0.000 2.217 361 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.246 361 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.246 361 G C 0.171 175.047 174.900 -0.039 0.000 0.990 361 G CA -0.104 44.982 45.100 -0.022 0.000 0.627 361 G HN 0.448 nan 8.290 nan 0.000 0.522 362 V N 2.248 122.134 119.914 -0.047 0.000 2.614 362 V HA 0.484 4.604 4.120 -0.000 0.000 0.291 362 V C 0.530 176.551 176.094 -0.122 0.000 1.049 362 V CA -0.116 62.143 62.300 -0.069 0.000 1.038 362 V CB 1.514 33.306 31.823 -0.052 0.000 0.980 362 V HN 0.239 nan 8.190 nan 0.000 0.481 363 K N 2.834 123.163 120.400 -0.119 0.000 2.185 363 K HA 0.623 4.943 4.320 -0.000 0.000 0.240 363 K C 0.891 177.383 176.600 -0.179 0.000 0.983 363 K CA -0.379 55.828 56.287 -0.133 0.000 0.873 363 K CB 1.608 34.061 32.500 -0.078 0.000 1.118 363 K HN 0.604 nan 8.250 nan 0.000 0.441 364 A N 0.485 123.198 122.820 -0.178 0.000 2.209 364 A HA -0.094 4.225 4.320 -0.000 0.000 0.212 364 A C 1.561 179.133 177.584 -0.021 0.000 1.158 364 A CA 1.723 53.667 52.037 -0.155 0.000 0.742 364 A CB -0.848 18.099 19.000 -0.088 0.000 0.790 364 A HN 0.792 nan 8.150 nan 0.000 0.472 365 T N -2.970 111.565 114.554 -0.032 0.000 2.977 365 T HA -0.096 4.254 4.350 -0.000 0.000 0.271 365 T C 1.577 176.282 174.700 0.008 0.000 1.105 365 T CA 1.153 63.248 62.100 -0.008 0.000 1.116 365 T CB -0.567 68.292 68.868 -0.015 0.000 0.878 365 T HN 0.062 nan 8.240 nan 0.000 0.509 366 V N 0.949 120.867 119.914 0.006 0.000 2.490 366 V HA 0.259 4.379 4.120 -0.000 0.000 0.250 366 V C 1.477 177.619 176.094 0.080 0.000 1.061 366 V CA 1.456 63.771 62.300 0.024 0.000 1.064 366 V CB -0.459 31.358 31.823 -0.009 0.000 0.670 366 V HN 0.826 nan 8.190 nan 0.000 0.461 367 A N -1.410 121.468 122.820 0.097 0.000 3.124 367 A HA 0.553 4.873 4.320 -0.000 0.000 0.295 367 A C -1.870 175.617 177.584 -0.162 0.000 1.199 367 A CA -0.468 51.522 52.037 -0.078 0.000 0.845 367 A CB 0.456 19.407 19.000 -0.082 0.000 1.381 367 A HN 0.263 nan 8.150 nan 0.000 0.537 368 P HA -0.196 nan 4.420 nan 0.000 0.216 368 P C 1.580 178.774 177.300 -0.176 0.000 1.153 368 P CA 1.047 64.087 63.100 -0.099 0.000 0.858 368 P CB 0.234 31.898 31.700 -0.060 0.000 0.789 369 I N -1.319 119.074 120.570 -0.295 0.000 2.264 369 I HA -0.216 3.953 4.170 -0.000 0.000 0.248 369 I C 1.997 177.881 176.117 -0.388 0.000 1.111 369 I CA 1.602 62.745 61.300 -0.262 0.000 1.382 369 I CB -0.698 37.144 38.000 -0.263 0.000 1.060 369 I HN -0.171 nan 8.210 nan 0.000 0.418 370 L N -1.372 119.464 121.223 -0.645 0.000 2.023 370 L HA -0.169 4.171 4.340 -0.000 0.000 0.205 370 L C 2.204 178.535 176.870 -0.899 0.000 1.073 370 L CA 1.508 55.672 54.840 -1.127 0.000 0.745 370 L CB -0.806 40.152 42.059 -1.835 0.000 0.900 370 L HN 0.220 nan 8.230 nan 0.000 0.435 371 Y N -1.153 118.958 120.300 -0.316 0.000 2.479 371 Y HA 0.027 4.577 4.550 -0.000 0.000 0.283 371 Y C 2.538 178.389 175.900 -0.083 0.000 1.109 371 Y CA 0.122 58.137 58.100 -0.143 0.000 1.239 371 Y CB 0.284 38.679 38.460 -0.108 0.000 1.108 371 Y HN 0.102 nan 8.280 nan 0.000 0.548 372 Q N -0.445 119.378 119.800 0.039 0.000 2.373 372 Q HA 0.006 4.346 4.340 -0.000 0.000 0.210 372 Q C 0.774 176.787 176.000 0.023 0.000 0.913 372 Q CA 0.662 56.485 55.803 0.033 0.000 0.911 372 Q CB 0.575 29.326 28.738 0.022 0.000 1.040 372 Q HN 0.265 nan 8.270 nan 0.000 0.521 373 E N -0.989 119.209 120.200 -0.002 0.000 2.603 373 E HA 0.197 4.546 4.350 -0.000 0.000 0.211 373 E C 0.592 177.187 176.600 -0.008 0.000 0.995 373 E CA 0.396 56.825 56.400 0.048 0.000 0.990 373 E CB 1.613 31.380 29.700 0.111 0.000 1.036 373 E HN 0.400 nan 8.360 nan 0.000 0.475 374 G N 1.017 109.782 108.800 -0.058 0.000 2.253 374 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.209 374 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.209 374 G C 1.323 176.162 174.900 -0.103 0.000 0.997 374 G CA 0.409 45.465 45.100 -0.073 0.000 0.640 374 G HN 0.372 nan 8.290 nan 0.000 0.496 375 A N 0.358 123.076 122.820 -0.170 0.000 1.892 375 A HA 0.229 4.549 4.320 -0.000 0.000 0.218 375 A C 1.702 179.329 177.584 0.073 0.000 1.188 375 A CA 2.146 54.096 52.037 -0.145 0.000 0.631 375 A CB -0.501 18.331 19.000 -0.281 0.000 0.822 375 A HN 0.668 nan 8.150 nan 0.000 0.447 376 F N -0.202 119.645 119.950 -0.172 0.000 2.693 376 F HA 0.336 4.863 4.527 -0.000 0.000 0.303 376 F C 1.938 177.700 175.800 -0.063 0.000 1.143 376 F CA -0.198 57.728 58.000 -0.123 0.000 1.389 376 F CB -0.922 38.008 39.000 -0.118 0.000 1.060 376 F HN 0.410 nan 8.300 nan 0.000 0.535 377 G N 0.318 109.181 108.800 0.105 0.000 2.212 377 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.266 377 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.266 377 G C 0.177 175.120 174.900 0.072 0.000 0.978 377 G CA 0.484 45.622 45.100 0.064 0.000 0.632 377 G HN 0.646 nan 8.290 nan 0.000 0.537 378 V N -2.750 117.218 119.914 0.090 0.000 2.841 378 V HA 0.901 5.021 4.120 -0.000 0.000 0.310 378 V C -0.198 175.941 176.094 0.075 0.000 1.090 378 V CA -1.744 60.603 62.300 0.079 0.000 0.930 378 V CB 1.839 33.712 31.823 0.084 0.000 1.014 378 V HN 0.208 nan 8.190 nan 0.000 0.425 379 R N 3.787 124.321 120.500 0.057 0.000 2.220 379 R HA 0.638 4.978 4.340 -0.000 0.000 0.340 379 R C -0.629 175.698 176.300 0.045 0.000 1.076 379 R CA -0.257 55.872 56.100 0.050 0.000 0.920 379 R CB 0.433 30.758 30.300 0.042 0.000 1.062 379 R HN 0.720 nan 8.270 nan 0.000 0.469 380 L N 2.418 123.672 121.223 0.052 0.000 2.399 380 L HA 0.329 4.668 4.340 -0.000 0.000 0.266 380 L C 0.658 177.536 176.870 0.014 0.000 1.114 380 L CA -0.015 54.839 54.840 0.024 0.000 0.804 380 L CB 0.737 42.804 42.059 0.013 0.000 1.146 380 L HN 0.428 nan 8.230 nan 0.000 0.451 381 K N 3.190 123.589 120.400 -0.002 0.000 2.168 381 K HA 0.156 4.476 4.320 -0.000 0.000 0.258 381 K C -1.515 175.076 176.600 -0.016 0.000 1.010 381 K CA -1.305 54.979 56.287 -0.006 0.000 0.929 381 K CB 0.409 32.904 32.500 -0.009 0.000 0.998 381 K HN 0.318 nan 8.250 nan 0.000 0.479 382 P HA -0.224 nan 4.420 nan 0.000 0.217 382 P C 0.309 177.589 177.300 -0.034 0.000 1.151 382 P CA 1.490 64.578 63.100 -0.020 0.000 0.849 382 P CB 0.104 31.796 31.700 -0.013 0.000 0.787 383 D N -2.513 117.867 120.400 -0.032 0.000 2.340 383 D HA 0.009 4.649 4.640 -0.000 0.000 0.217 383 D C -0.183 176.088 176.300 -0.049 0.000 1.081 383 D CA 0.046 54.024 54.000 -0.037 0.000 0.842 383 D CB -0.402 40.383 40.800 -0.026 0.000 0.934 383 D HN 0.076 nan 8.370 nan 0.000 0.511 384 D N 1.445 121.809 120.400 -0.060 0.000 2.341 384 D HA 0.161 4.801 4.640 -0.000 0.000 0.245 384 D C -0.148 176.079 176.300 -0.121 0.000 1.106 384 D CA -0.046 53.907 54.000 -0.078 0.000 0.905 384 D CB 1.019 41.775 40.800 -0.073 0.000 1.202 384 D HN -0.044 nan 8.370 nan 0.000 0.426 385 D N 0.930 121.257 120.400 -0.122 0.000 2.351 385 D HA 0.086 4.726 4.640 -0.000 0.000 0.251 385 D C 1.529 177.679 176.300 -0.250 0.000 1.137 385 D CA -0.273 53.633 54.000 -0.156 0.000 0.879 385 D CB 0.948 41.685 40.800 -0.103 0.000 1.181 385 D HN 0.382 nan 8.370 nan 0.000 0.448 386 I N 0.012 120.362 120.570 -0.366 0.000 2.928 386 I HA -0.014 4.156 4.170 -0.000 0.000 0.266 386 I C 1.793 177.478 176.117 -0.720 0.000 1.234 386 I CA 0.553 61.480 61.300 -0.623 0.000 1.483 386 I CB 0.013 37.450 38.000 -0.939 0.000 1.097 386 I HN 0.291 nan 8.210 nan 0.000 0.455 387 I N 1.529 121.870 120.570 -0.382 0.000 2.546 387 I HA -0.155 4.014 4.170 -0.000 0.000 0.255 387 I C 2.287 178.279 176.117 -0.209 0.000 1.163 387 I CA 1.022 62.190 61.300 -0.219 0.000 1.457 387 I CB -0.101 37.951 38.000 0.086 0.000 1.092 387 I HN 0.201 nan 8.210 nan 0.000 0.434 388 E N 0.559 120.635 120.200 -0.206 0.000 2.153 388 E HA -0.248 4.102 4.350 -0.000 0.000 0.194 388 E C 2.045 178.542 176.600 -0.172 0.000 0.988 388 E CA 0.922 57.240 56.400 -0.136 0.000 0.811 388 E CB -0.501 29.139 29.700 -0.100 0.000 0.746 388 E HN 0.402 nan 8.360 nan 0.000 0.466 389 L N 0.171 121.201 121.223 -0.322 0.000 2.127 389 L HA -0.119 4.221 4.340 -0.000 0.000 0.211 389 L C 1.957 178.717 176.870 -0.184 0.000 1.089 389 L CA 1.534 56.205 54.840 -0.282 0.000 0.757 389 L CB -0.532 41.319 42.059 -0.346 0.000 0.899 389 L HN 0.020 nan 8.230 nan 0.000 0.434 390 F N -0.891 119.047 119.950 -0.021 0.000 2.512 390 F HA 0.055 4.582 4.527 -0.000 0.000 0.296 390 F C 1.470 177.209 175.800 -0.101 0.000 1.110 390 F CA -0.411 57.564 58.000 -0.042 0.000 1.446 390 F CB -0.209 38.853 39.000 0.105 0.000 1.092 390 F HN -0.123 nan 8.300 nan 0.000 0.554 391 K N 1.150 121.537 120.400 -0.021 0.000 2.230 391 K HA 0.007 4.327 4.320 -0.000 0.000 0.253 391 K C 0.263 176.767 176.600 -0.159 0.000 1.008 391 K CA 0.172 56.277 56.287 -0.304 0.000 0.910 391 K CB -0.001 32.336 32.500 -0.270 0.000 0.994 391 K HN 0.178 nan 8.250 nan 0.000 0.495 392 N N -0.225 118.365 118.700 -0.183 0.000 2.725 392 N HA -0.250 4.490 4.740 -0.000 0.000 0.249 392 N C 0.380 176.018 175.510 0.214 0.000 1.103 392 N CA 0.200 53.274 53.050 0.041 0.000 0.707 392 N CB -1.010 37.547 38.487 0.117 0.000 1.043 392 N HN 0.971 nan 8.380 nan 0.000 0.553 393 G N -0.781 108.052 108.800 0.055 0.000 2.176 393 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.232 393 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.232 393 G C 0.669 175.360 174.900 -0.348 0.000 0.986 393 G CA 0.596 45.736 45.100 0.067 0.000 0.643 393 G HN 0.503 nan 8.290 nan 0.000 0.522 394 R N 0.734 120.821 120.500 -0.689 0.000 2.061 394 R HA 0.143 4.483 4.340 -0.000 0.000 0.230 394 R C 1.207 177.149 176.300 -0.597 0.000 1.140 394 R CA 1.714 57.066 56.100 -1.246 0.000 0.940 394 R CB -0.239 29.406 30.300 -1.092 0.000 0.839 394 R HN 0.405 nan 8.270 nan 0.000 0.429 395 S N 0.405 115.921 115.700 -0.308 0.000 2.586 395 S HA 0.187 4.656 4.470 -0.000 0.000 0.274 395 S C -0.241 174.245 174.600 -0.189 0.000 1.281 395 S CA -0.686 57.364 58.200 -0.251 0.000 1.035 395 S CB 1.756 64.810 63.200 -0.242 0.000 0.962 395 S HN 0.463 nan 8.310 nan 0.000 0.512 396 S N 1.290 116.869 115.700 -0.202 0.000 2.669 396 S HA 0.761 5.231 4.470 -0.000 0.000 0.270 396 S C -0.478 173.993 174.600 -0.214 0.000 1.225 396 S CA -0.657 57.452 58.200 -0.151 0.000 0.991 396 S CB 0.638 63.778 63.200 -0.101 0.000 0.987 396 S HN 0.470 nan 8.310 nan 0.000 0.552 397 V N 0.793 120.586 119.914 -0.202 0.000 2.808 397 V HA 0.544 4.664 4.120 -0.000 0.000 0.308 397 V C -0.570 175.512 176.094 -0.020 0.000 1.099 397 V CA -0.757 61.400 62.300 -0.238 0.000 0.920 397 V CB 2.100 33.575 31.823 -0.581 0.000 1.014 397 V HN 0.955 nan 8.190 nan 0.000 0.425 398 S N 3.799 119.515 115.700 0.026 0.000 2.474 398 S HA 0.611 5.080 4.470 -0.000 0.000 0.321 398 S C -0.652 174.124 174.600 0.293 0.000 1.080 398 S CA -0.335 57.922 58.200 0.096 0.000 1.106 398 S CB 1.159 64.225 63.200 -0.223 0.000 0.984 398 S HN 0.635 nan 8.310 nan 0.000 0.464 399 L N 5.055 126.523 121.223 0.409 0.000 2.272 399 L HA 0.643 4.983 4.340 -0.000 0.000 0.284 399 L C 0.563 177.719 176.870 0.476 0.000 1.045 399 L CA 0.024 55.128 54.840 0.439 0.000 0.842 399 L CB 0.082 42.386 42.059 0.410 0.000 1.224 399 L HN 0.656 nan 8.230 nan 0.000 0.430 400 G N 3.902 112.995 108.800 0.489 0.000 2.572 400 G HA2 0.405 4.365 3.960 -0.000 0.000 0.261 400 G HA3 0.405 4.365 3.960 -0.000 0.000 0.261 400 G C -1.229 173.967 174.900 0.494 0.000 1.197 400 G CA -0.010 45.381 45.100 0.484 0.000 0.870 400 G HN 0.783 nan 8.290 nan 0.000 0.548 401 Y N -1.568 118.878 120.300 0.243 0.000 2.670 401 Y HA 0.793 5.343 4.550 -0.000 0.000 0.334 401 Y C -1.067 174.932 175.900 0.165 0.000 1.185 401 Y CA -1.632 56.596 58.100 0.212 0.000 1.053 401 Y CB 1.694 40.268 38.460 0.190 0.000 1.298 401 Y HN 0.716 nan 8.280 nan 0.000 0.459 402 I N 0.245 120.920 120.570 0.175 0.000 2.882 402 I HA 0.594 4.764 4.170 -0.000 0.000 0.298 402 I C -0.007 176.183 176.117 0.122 0.000 1.462 402 I CA -0.156 61.178 61.300 0.056 0.000 1.000 402 I CB 2.301 40.398 38.000 0.161 0.000 1.340 402 I HN 1.410 nan 8.210 nan 0.000 0.462 403 G N 5.805 114.639 108.800 0.056 0.000 2.248 403 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.252 403 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.252 403 G C 0.467 175.366 174.900 -0.001 0.000 1.085 403 G CA 0.357 45.448 45.100 -0.015 0.000 0.845 403 G HN 0.643 nan 8.290 nan 0.000 0.494 404 I N -0.849 119.776 120.570 0.092 0.000 2.226 404 I HA -0.210 3.960 4.170 -0.000 0.000 0.245 404 I C 2.452 178.607 176.117 0.062 0.000 1.100 404 I CA 1.877 63.237 61.300 0.100 0.000 1.374 404 I CB -0.256 37.830 38.000 0.143 0.000 1.057 404 I HN 0.523 nan 8.210 nan 0.000 0.413 405 H N 1.489 120.550 119.070 -0.014 0.000 2.289 405 H HA -0.237 4.318 4.556 -0.000 0.000 0.296 405 H C 1.982 177.264 175.328 -0.075 0.000 1.091 405 H CA 2.222 58.255 56.048 -0.024 0.000 1.274 405 H CB -0.009 29.750 29.762 -0.005 0.000 1.364 405 H HN 0.238 nan 8.280 nan 0.000 0.490 406 E N -0.384 119.701 120.200 -0.192 0.000 2.208 406 E HA -0.046 4.304 4.350 -0.000 0.000 0.193 406 E C 2.133 178.563 176.600 -0.283 0.000 0.988 406 E CA 0.733 56.953 56.400 -0.299 0.000 0.828 406 E CB -0.192 29.312 29.700 -0.327 0.000 0.763 406 E HN 0.405 nan 8.360 nan 0.000 0.478 407 L N 0.893 121.990 121.223 -0.211 0.000 2.056 407 L HA -0.129 4.211 4.340 -0.000 0.000 0.207 407 L C 1.427 178.158 176.870 -0.233 0.000 1.078 407 L CA 1.642 56.378 54.840 -0.173 0.000 0.749 407 L CB -0.363 41.662 42.059 -0.057 0.000 0.901 407 L HN 0.037 nan 8.230 nan 0.000 0.433 408 N N 0.058 118.638 118.700 -0.198 0.000 2.084 408 N HA -0.170 4.569 4.740 -0.000 0.000 0.190 408 N C 1.955 177.313 175.510 -0.254 0.000 1.030 408 N CA 2.014 54.943 53.050 -0.202 0.000 0.849 408 N CB -0.401 38.015 38.487 -0.118 0.000 1.012 408 N HN 0.401 nan 8.380 nan 0.000 0.423 409 I N 0.953 121.349 120.570 -0.291 0.000 2.163 409 I HA -0.264 3.905 4.170 -0.000 0.000 0.243 409 I C 2.066 178.039 176.117 -0.240 0.000 1.085 409 I CA 0.985 62.127 61.300 -0.263 0.000 1.347 409 I CB -0.208 37.611 38.000 -0.301 0.000 1.044 409 I HN 0.070 nan 8.210 nan 0.000 0.408 410 L N 0.025 121.085 121.223 -0.271 0.000 2.093 410 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 410 L C 2.386 178.982 176.870 -0.457 0.000 1.085 410 L CA 1.120 55.822 54.840 -0.229 0.000 0.755 410 L CB -0.504 41.435 42.059 -0.200 0.000 0.904 410 L HN 0.277 nan 8.230 nan 0.000 0.435 411 V N -3.359 116.101 119.914 -0.757 0.000 3.541 411 V HA 0.368 4.488 4.120 -0.000 0.000 0.267 411 V C 1.454 177.173 176.094 -0.625 0.000 1.213 411 V CA 0.662 62.202 62.300 -1.267 0.000 1.149 411 V CB -0.246 30.872 31.823 -1.174 0.000 0.822 411 V HN 0.543 nan 8.190 nan 0.000 0.462 412 G N 1.219 109.798 108.800 -0.368 0.000 2.179 412 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 412 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 412 G C 0.312 175.117 174.900 -0.158 0.000 0.977 412 G CA 0.587 45.562 45.100 -0.208 0.000 0.641 412 G HN 1.129 nan 8.290 nan 0.000 0.533 413 R N -1.014 119.378 120.500 -0.179 0.000 2.752 413 R HA 0.589 4.929 4.340 -0.000 0.000 0.271 413 R C -1.867 174.371 176.300 -0.103 0.000 1.026 413 R CA -0.740 55.291 56.100 -0.114 0.000 0.901 413 R CB 0.477 30.723 30.300 -0.090 0.000 1.243 413 R HN -0.016 nan 8.270 nan 0.000 0.463 414 D N 1.775 122.146 120.400 -0.048 0.000 2.344 414 D HA 0.168 4.808 4.640 -0.000 0.000 0.253 414 D C 0.646 176.941 176.300 -0.008 0.000 1.255 414 D CA -0.461 53.536 54.000 -0.006 0.000 0.894 414 D CB 0.590 41.412 40.800 0.037 0.000 1.067 414 D HN 0.549 nan 8.370 nan 0.000 0.492 415 I N 0.709 121.271 120.570 -0.014 0.000 3.974 415 I HA 0.417 4.587 4.170 -0.000 0.000 0.334 415 I C 1.588 177.738 176.117 0.054 0.000 1.437 415 I CA -0.700 60.594 61.300 -0.010 0.000 1.113 415 I CB 0.759 38.718 38.000 -0.069 0.000 1.063 415 I HN 0.277 nan 8.210 nan 0.000 0.400 416 G N 2.203 111.086 108.800 0.138 0.000 2.459 416 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.217 416 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.217 416 G C 1.741 176.810 174.900 0.282 0.000 1.183 416 G CA 0.661 45.926 45.100 0.274 0.000 0.776 416 G HN 0.399 nan 8.290 nan 0.000 0.552 417 R N 0.305 120.888 120.500 0.138 0.000 2.148 417 R HA 0.007 4.347 4.340 -0.000 0.000 0.227 417 R C 2.456 178.739 176.300 -0.027 0.000 1.103 417 R CA 1.288 57.345 56.100 -0.071 0.000 0.983 417 R CB -0.106 30.058 30.300 -0.227 0.000 0.874 417 R HN 0.363 nan 8.270 nan 0.000 0.451 418 E N 0.725 120.923 120.200 -0.003 0.000 2.060 418 E HA -0.050 4.300 4.350 -0.000 0.000 0.189 418 E C 1.789 178.380 176.600 -0.016 0.000 0.974 418 E CA 0.595 56.985 56.400 -0.016 0.000 0.808 418 E CB -0.031 29.657 29.700 -0.020 0.000 0.768 418 E HN 0.210 nan 8.360 nan 0.000 0.453 419 I N 0.088 120.653 120.570 -0.008 0.000 2.353 419 I HA -0.200 3.970 4.170 -0.000 0.000 0.248 419 I C 1.337 177.465 176.117 0.018 0.000 1.119 419 I CA 0.698 61.972 61.300 -0.043 0.000 1.417 419 I CB 0.202 38.196 38.000 -0.010 0.000 1.078 419 I HN 0.107 nan 8.210 nan 0.000 0.421 420 L N 0.484 121.718 121.223 0.018 0.000 2.093 420 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 420 L C 2.544 179.424 176.870 0.015 0.000 1.085 420 L CA 1.929 56.760 54.840 -0.016 0.000 0.755 420 L CB -1.479 40.566 42.059 -0.024 0.000 0.904 420 L HN 0.208 nan 8.230 nan 0.000 0.435 421 T N -0.813 113.750 114.554 0.014 0.000 2.788 421 T HA -0.183 4.166 4.350 -0.000 0.000 0.268 421 T C 1.922 176.648 174.700 0.044 0.000 1.044 421 T CA 1.160 63.269 62.100 0.015 0.000 1.139 421 T CB -0.017 68.847 68.868 -0.006 0.000 0.867 421 T HN 0.302 nan 8.240 nan 0.000 0.454 422 K N 0.468 120.909 120.400 0.069 0.000 2.155 422 K HA 0.121 4.440 4.320 -0.000 0.000 0.203 422 K C 2.339 179.101 176.600 0.270 0.000 1.052 422 K CA 0.870 57.247 56.287 0.150 0.000 0.948 422 K CB -0.197 32.380 32.500 0.129 0.000 0.728 422 K HN 0.376 nan 8.250 nan 0.000 0.448 423 M N 0.978 120.713 119.600 0.225 0.000 2.117 423 M HA -0.163 4.317 4.480 -0.000 0.000 0.262 423 M C 1.672 177.971 176.300 -0.002 0.000 1.065 423 M CA 1.308 56.684 55.300 0.128 0.000 1.114 423 M CB -0.354 32.299 32.600 0.088 0.000 1.361 423 M HN 0.074 nan 8.290 nan 0.000 0.408 424 N N 0.736 119.446 118.700 0.017 0.000 2.192 424 N HA -0.131 4.609 4.740 -0.000 0.000 0.188 424 N C 1.610 177.098 175.510 -0.036 0.000 1.013 424 N CA 1.697 54.744 53.050 -0.005 0.000 0.863 424 N CB -0.312 38.192 38.487 0.029 0.000 0.990 424 N HN 0.373 nan 8.380 nan 0.000 0.430 425 A N 0.717 123.531 122.820 -0.011 0.000 1.898 425 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 425 A C 1.899 179.387 177.584 -0.161 0.000 1.181 425 A CA 1.010 53.012 52.037 -0.058 0.000 0.620 425 A CB -0.692 18.286 19.000 -0.038 0.000 0.819 425 A HN 0.380 nan 8.150 nan 0.000 0.442 426 H N -0.937 117.983 119.070 -0.250 0.000 2.353 426 H HA -0.113 4.443 4.556 -0.000 0.000 0.300 426 H C 1.995 176.747 175.328 -0.961 0.000 1.090 426 H CA 1.680 57.426 56.048 -0.504 0.000 1.327 426 H CB -0.168 29.264 29.762 -0.550 0.000 1.383 426 H HN 0.312 nan 8.280 nan 0.000 0.508 427 L N 1.363 122.161 121.223 -0.709 0.000 2.042 427 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 427 L C 2.531 179.314 176.870 -0.144 0.000 1.076 427 L CA 1.470 55.969 54.840 -0.570 0.000 0.749 427 L CB -0.772 41.160 42.059 -0.211 0.000 0.893 427 L HN 0.139 nan 8.230 nan 0.000 0.432 428 K N -0.827 119.525 120.400 -0.080 0.000 2.103 428 K HA -0.207 4.113 4.320 -0.000 0.000 0.207 428 K C 2.040 178.673 176.600 0.054 0.000 1.048 428 K CA 1.391 57.694 56.287 0.027 0.000 0.930 428 K CB 0.049 32.554 32.500 0.008 0.000 0.716 428 K HN 0.464 nan 8.250 nan 0.000 0.444 429 Q N -0.920 118.874 119.800 -0.010 0.000 2.119 429 Q HA -0.172 4.168 4.340 -0.000 0.000 0.201 429 Q C 1.860 177.981 176.000 0.202 0.000 0.972 429 Q CA 1.267 57.106 55.803 0.061 0.000 0.847 429 Q CB -0.073 28.675 28.738 0.016 0.000 0.903 429 Q HN 0.420 nan 8.270 nan 0.000 0.433 430 W N 0.749 122.003 121.300 -0.077 0.000 2.381 430 W HA -0.052 4.608 4.660 -0.000 0.000 0.301 430 W C 2.306 178.970 176.519 0.241 0.000 1.205 430 W CA 0.895 58.178 57.345 -0.103 0.000 1.285 430 W CB -1.177 28.002 29.460 -0.469 0.000 1.133 430 W HN 0.071 nan 8.180 nan 0.000 0.521 431 T N 0.443 115.331 114.554 0.556 0.000 2.720 431 T HA -0.201 4.148 4.350 -0.000 0.000 0.268 431 T C 1.464 176.373 174.700 0.347 0.000 1.037 431 T CA 1.955 64.375 62.100 0.532 0.000 1.144 431 T CB -0.179 68.926 68.868 0.395 0.000 0.864 431 T HN 0.226 nan 8.240 nan 0.000 0.444 432 E N 0.161 120.512 120.200 0.251 0.000 2.158 432 E HA 0.037 4.387 4.350 -0.000 0.000 0.191 432 E C 2.441 179.143 176.600 0.170 0.000 0.982 432 E CA 0.285 56.788 56.400 0.172 0.000 0.823 432 E CB 0.025 29.796 29.700 0.119 0.000 0.766 432 E HN 0.176 nan 8.360 nan 0.000 0.468 433 R N 0.639 121.261 120.500 0.203 0.000 2.119 433 R HA -0.066 4.274 4.340 -0.000 0.000 0.222 433 R C 1.885 178.331 176.300 0.243 0.000 1.088 433 R CA 1.803 58.014 56.100 0.185 0.000 0.984 433 R CB 0.113 30.500 30.300 0.145 0.000 0.884 433 R HN 0.264 nan 8.270 nan 0.000 0.447 434 T N -5.448 109.316 114.554 0.350 0.000 2.969 434 T HA 0.230 4.580 4.350 -0.000 0.000 0.250 434 T C 1.311 176.155 174.700 0.240 0.000 1.021 434 T CA 0.706 63.057 62.100 0.418 0.000 1.003 434 T CB 0.905 70.206 68.868 0.721 0.000 1.040 434 T HN 0.296 nan 8.240 nan 0.000 0.492 435 G N 1.210 110.120 108.800 0.183 0.000 2.253 435 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.251 435 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.251 435 G C -0.078 174.776 174.900 -0.077 0.000 0.998 435 G CA -0.023 45.073 45.100 -0.006 0.000 0.621 435 G HN 0.572 nan 8.290 nan 0.000 0.524 436 F N 1.611 121.671 119.950 0.184 0.000 2.399 436 F HA 0.610 5.137 4.527 -0.000 0.000 0.342 436 F C 0.996 176.818 175.800 0.037 0.000 1.106 436 F CA -0.051 57.963 58.000 0.023 0.000 1.196 436 F CB 1.452 40.361 39.000 -0.152 0.000 1.163 436 F HN 0.250 nan 8.300 nan 0.000 0.547 437 A N 4.937 127.826 122.820 0.115 0.000 2.807 437 A HA 0.429 4.749 4.320 -0.000 0.000 0.307 437 A C -0.704 176.936 177.584 0.093 0.000 1.532 437 A CA -0.417 51.705 52.037 0.141 0.000 1.215 437 A CB -1.180 17.876 19.000 0.094 0.000 1.127 437 A HN 0.568 nan 8.150 nan 0.000 0.543 438 F N 2.075 122.179 119.950 0.255 0.000 2.471 438 F HA 0.388 4.915 4.527 -0.000 0.000 0.353 438 F C 1.240 177.149 175.800 0.180 0.000 1.113 438 F CA 0.929 59.081 58.000 0.253 0.000 1.262 438 F CB 1.215 40.443 39.000 0.379 0.000 1.146 438 F HN 0.567 nan 8.300 nan 0.000 0.578 439 S N 3.169 119.072 115.700 0.339 0.000 2.588 439 S HA 0.596 5.066 4.470 -0.000 0.000 0.275 439 S C -1.223 173.563 174.600 0.310 0.000 1.130 439 S CA -1.136 57.229 58.200 0.274 0.000 0.855 439 S CB 1.530 64.868 63.200 0.229 0.000 1.116 439 S HN 0.590 nan 8.310 nan 0.000 0.472 440 L N 2.591 123.994 121.223 0.300 0.000 2.290 440 L HA 0.446 4.786 4.340 -0.000 0.000 0.284 440 L C -1.504 175.665 176.870 0.498 0.000 1.078 440 L CA -0.519 54.535 54.840 0.357 0.000 0.815 440 L CB 0.745 42.955 42.059 0.252 0.000 1.162 440 L HN 0.885 nan 8.230 nan 0.000 0.435 441 Y N 2.967 123.505 120.300 0.396 0.000 2.338 441 Y HA 0.256 4.806 4.550 -0.000 0.000 0.333 441 Y C -0.049 175.990 175.900 0.232 0.000 0.968 441 Y CA -0.933 57.343 58.100 0.294 0.000 1.123 441 Y CB 1.671 40.238 38.460 0.178 0.000 1.165 441 Y HN 0.455 nan 8.280 nan 0.000 0.452 442 S N 4.799 120.337 115.700 -0.270 0.000 2.700 442 S HA 0.090 4.560 4.470 -0.000 0.000 0.321 442 S C -0.067 173.978 174.600 -0.926 0.000 1.161 442 S CA -0.262 57.574 58.200 -0.607 0.000 1.078 442 S CB -0.600 62.455 63.200 -0.242 0.000 1.302 442 S HN 0.709 nan 8.310 nan 0.000 0.540 443 T N 5.916 120.008 114.554 -0.769 0.000 2.822 443 T HA 0.033 4.383 4.350 -0.000 0.000 0.288 443 T C -1.372 173.074 174.700 -0.424 0.000 0.991 443 T CA -0.731 61.064 62.100 -0.509 0.000 1.176 443 T CB 0.368 69.174 68.868 -0.103 0.000 0.951 443 T HN 0.300 nan 8.240 nan 0.000 0.526 444 P HA -0.046 nan 4.420 nan 0.000 0.215 444 P C 0.758 177.929 177.300 -0.215 0.000 1.153 444 P CA 1.222 64.160 63.100 -0.270 0.000 0.853 444 P CB -0.072 31.503 31.700 -0.208 0.000 0.788 445 A N -0.926 121.817 122.820 -0.129 0.000 2.610 445 A HA -0.283 4.037 4.320 -0.000 0.000 0.299 445 A C 1.468 178.971 177.584 -0.134 0.000 1.487 445 A CA 1.078 53.047 52.037 -0.115 0.000 0.743 445 A CB -2.397 16.517 19.000 -0.142 0.000 1.070 445 A HN 0.262 nan 8.150 nan 0.000 0.439 446 E N 0.775 120.926 120.200 -0.082 0.000 2.065 446 E HA -0.204 4.146 4.350 -0.000 0.000 0.201 446 E C 1.572 178.155 176.600 -0.028 0.000 1.016 446 E CA 2.414 58.787 56.400 -0.044 0.000 0.818 446 E CB -0.098 29.660 29.700 0.098 0.000 0.749 446 E HN 0.789 nan 8.360 nan 0.000 0.453 447 N N -0.959 117.742 118.700 0.001 0.000 2.227 447 N HA -0.006 4.734 4.740 -0.000 0.000 0.196 447 N C 1.355 176.836 175.510 -0.049 0.000 1.142 447 N CA 0.108 53.205 53.050 0.078 0.000 0.887 447 N CB 0.254 38.802 38.487 0.101 0.000 1.022 447 N HN 0.137 nan 8.380 nan 0.000 0.500 448 L N 2.427 123.530 121.223 -0.200 0.000 2.191 448 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 448 L C 2.595 179.276 176.870 -0.316 0.000 1.103 448 L CA 1.322 55.915 54.840 -0.411 0.000 0.769 448 L CB -0.745 40.987 42.059 -0.546 0.000 0.908 448 L HN 0.312 nan 8.230 nan 0.000 0.438 449 C N -1.857 117.297 119.300 -0.244 0.000 2.403 449 C HA -0.218 4.242 4.460 -0.000 0.000 0.277 449 C C 2.416 177.249 174.990 -0.261 0.000 1.248 449 C CA 0.879 59.767 59.018 -0.216 0.000 1.762 449 C CB -1.906 25.645 27.740 -0.316 0.000 2.014 449 C HN 0.597 nan 8.230 nan 0.000 0.486 450 Y N 0.656 120.924 120.300 -0.053 0.000 2.301 450 Y HA 0.093 4.643 4.550 -0.000 0.000 0.295 450 Y C 3.031 178.869 175.900 -0.103 0.000 1.119 450 Y CA 1.093 59.162 58.100 -0.052 0.000 1.162 450 Y CB -0.588 37.850 38.460 -0.036 0.000 1.046 450 Y HN 0.153 nan 8.280 nan 0.000 0.538 451 R N 0.137 120.640 120.500 0.006 0.000 2.080 451 R HA -0.193 4.146 4.340 -0.000 0.000 0.236 451 R C 1.916 178.214 176.300 -0.004 0.000 1.137 451 R CA 1.970 58.032 56.100 -0.062 0.000 0.943 451 R CB -0.548 29.623 30.300 -0.214 0.000 0.846 451 R HN 0.223 nan 8.270 nan 0.000 0.431 452 F N 0.586 120.466 119.950 -0.117 0.000 2.095 452 F HA -0.252 4.275 4.527 -0.000 0.000 0.298 452 F C 2.758 178.408 175.800 -0.251 0.000 1.104 452 F CA 0.968 58.907 58.000 -0.102 0.000 1.232 452 F CB -1.346 37.661 39.000 0.012 0.000 0.987 452 F HN 0.229 nan 8.300 nan 0.000 0.475 453 C N 0.592 119.664 119.300 -0.379 0.000 2.425 453 C HA -0.176 4.284 4.460 -0.000 0.000 0.277 453 C C 2.937 177.858 174.990 -0.115 0.000 1.280 453 C CA 1.295 60.007 59.018 -0.509 0.000 1.744 453 C CB -1.177 26.235 27.740 -0.546 0.000 1.989 453 C HN 0.412 nan 8.230 nan 0.000 0.491 454 K N 0.050 120.434 120.400 -0.027 0.000 2.057 454 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 454 K C 1.957 178.580 176.600 0.037 0.000 1.050 454 K CA 1.494 57.793 56.287 0.019 0.000 0.935 454 K CB -0.320 32.196 32.500 0.028 0.000 0.715 454 K HN 0.550 nan 8.250 nan 0.000 0.439 455 L N 0.889 122.150 121.223 0.062 0.000 2.217 455 L HA -0.126 4.214 4.340 -0.000 0.000 0.211 455 L C 1.750 178.683 176.870 0.105 0.000 1.107 455 L CA 0.832 55.721 54.840 0.081 0.000 0.783 455 L CB -0.199 41.926 42.059 0.111 0.000 0.919 455 L HN 0.077 nan 8.230 nan 0.000 0.442 456 D N -0.983 119.499 120.400 0.136 0.000 2.234 456 D HA -0.106 4.533 4.640 -0.000 0.000 0.205 456 D C 2.162 178.594 176.300 0.220 0.000 0.962 456 D CA 1.090 55.225 54.000 0.225 0.000 0.855 456 D CB 0.013 40.973 40.800 0.267 0.000 0.951 456 D HN 0.167 nan 8.370 nan 0.000 0.500 457 T N 0.492 115.118 114.554 0.120 0.000 2.904 457 T HA -0.069 4.281 4.350 -0.000 0.000 0.267 457 T C 1.669 176.403 174.700 0.057 0.000 1.059 457 T CA 0.729 62.883 62.100 0.089 0.000 1.137 457 T CB -0.037 68.860 68.868 0.048 0.000 0.879 457 T HN 0.223 nan 8.240 nan 0.000 0.467 458 E N 0.557 120.780 120.200 0.039 0.000 2.265 458 E HA -0.095 4.255 4.350 -0.000 0.000 0.196 458 E C 2.174 178.752 176.600 -0.036 0.000 0.996 458 E CA 0.804 57.208 56.400 0.005 0.000 0.832 458 E CB 0.070 29.774 29.700 0.007 0.000 0.756 458 E HN 0.346 nan 8.360 nan 0.000 0.491 459 K N -0.831 119.532 120.400 -0.063 0.000 2.244 459 K HA 0.011 4.331 4.320 -0.000 0.000 0.200 459 K C 0.787 177.151 176.600 -0.393 0.000 1.052 459 K CA 0.527 56.652 56.287 -0.270 0.000 0.980 459 K CB 0.407 32.657 32.500 -0.415 0.000 0.838 459 K HN 0.107 nan 8.250 nan 0.000 0.481 460 Y N -0.342 119.967 120.300 0.014 0.000 2.453 460 Y HA 0.240 4.790 4.550 -0.000 0.000 0.247 460 Y C 0.875 176.771 175.900 -0.007 0.000 1.124 460 Y CA 0.017 58.117 58.100 0.001 0.000 1.243 460 Y CB 1.455 39.910 38.460 -0.010 0.000 1.213 460 Y HN 0.267 nan 8.280 nan 0.000 0.523 461 G N 0.696 109.565 108.800 0.115 0.000 2.598 461 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.244 461 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.244 461 G C -0.197 174.739 174.900 0.061 0.000 1.302 461 G CA -0.162 44.978 45.100 0.067 0.000 0.903 461 G HN 0.263 nan 8.290 nan 0.000 0.575 462 S N -0.648 115.072 115.700 0.033 0.000 2.455 462 S HA 0.509 4.978 4.470 -0.000 0.000 0.278 462 S C 0.132 174.733 174.600 0.003 0.000 1.216 462 S CA -0.034 58.174 58.200 0.014 0.000 1.055 462 S CB 0.314 63.517 63.200 0.004 0.000 0.939 462 S HN 1.296 nan 8.310 nan 0.000 0.494 463 V N 6.927 126.833 119.914 -0.014 0.000 2.448 463 V HA 0.390 4.510 4.120 -0.000 0.000 0.295 463 V C 0.327 176.383 176.094 -0.063 0.000 1.025 463 V CA -0.993 61.276 62.300 -0.050 0.000 0.859 463 V CB 1.706 33.475 31.823 -0.090 0.000 0.988 463 V HN 0.837 nan 8.190 nan 0.000 0.431 464 K N 3.657 124.018 120.400 -0.065 0.000 2.451 464 K HA 0.039 4.359 4.320 -0.000 0.000 0.280 464 K C 0.398 176.949 176.600 -0.082 0.000 1.020 464 K CA 0.439 56.690 56.287 -0.061 0.000 1.008 464 K CB 0.126 32.598 32.500 -0.047 0.000 0.917 464 K HN 0.832 nan 8.250 nan 0.000 0.478 465 D N 1.193 121.545 120.400 -0.081 0.000 2.978 465 D HA -0.189 4.451 4.640 -0.000 0.000 0.205 465 D C 0.565 176.797 176.300 -0.112 0.000 1.093 465 D CA 1.146 55.091 54.000 -0.092 0.000 1.006 465 D CB -0.827 39.919 40.800 -0.090 0.000 1.116 465 D HN 0.319 nan 8.370 nan 0.000 0.419 466 V N -0.185 119.670 119.914 -0.100 0.000 3.240 466 V HA 0.035 4.155 4.120 -0.000 0.000 0.218 466 V C 2.310 178.425 176.094 0.036 0.000 1.190 466 V CA 1.428 63.691 62.300 -0.063 0.000 1.280 466 V CB 0.088 31.849 31.823 -0.103 0.000 1.244 466 V HN 0.300 nan 8.190 nan 0.000 0.512 467 T N -1.161 113.411 114.554 0.030 0.000 3.060 467 T HA -0.039 4.311 4.350 -0.000 0.000 0.249 467 T C 1.283 175.959 174.700 -0.039 0.000 1.079 467 T CA 0.803 62.922 62.100 0.032 0.000 1.013 467 T CB -0.223 68.683 68.868 0.063 0.000 0.975 467 T HN 0.551 nan 8.240 nan 0.000 0.518 468 D N 3.196 123.555 120.400 -0.067 0.000 2.144 468 D HA -0.201 4.439 4.640 -0.000 0.000 0.200 468 D C 1.909 178.152 176.300 -0.096 0.000 0.978 468 D CA 1.248 55.208 54.000 -0.066 0.000 0.833 468 D CB -0.391 40.372 40.800 -0.061 0.000 0.961 468 D HN 0.667 nan 8.370 nan 0.000 0.470 469 K N -0.471 119.797 120.400 -0.219 0.000 2.288 469 K HA 0.089 4.409 4.320 -0.000 0.000 0.201 469 K C 1.540 178.055 176.600 -0.143 0.000 1.048 469 K CA 1.069 57.149 56.287 -0.345 0.000 0.956 469 K CB -0.209 31.756 32.500 -0.892 0.000 0.746 469 K HN 0.258 nan 8.250 nan 0.000 0.461 470 G N 1.040 109.799 108.800 -0.068 0.000 2.176 470 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.232 470 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.232 470 G C -0.401 174.689 174.900 0.316 0.000 0.986 470 G CA 0.242 45.437 45.100 0.158 0.000 0.643 470 G HN 0.601 nan 8.290 nan 0.000 0.522 471 W N -0.897 120.400 121.300 -0.006 0.000 3.118 471 W HA 0.812 5.471 4.660 -0.000 0.000 0.328 471 W C -1.097 175.420 176.519 -0.003 0.000 1.239 471 W CA -2.531 54.721 57.345 -0.155 0.000 1.176 471 W CB 0.770 30.043 29.460 -0.313 0.000 1.433 471 W HN 0.015 nan 8.180 nan 0.000 0.562 472 Y N 1.388 121.763 120.300 0.125 0.000 2.376 472 Y HA 0.541 5.091 4.550 -0.000 0.000 0.325 472 Y C 0.852 176.863 175.900 0.186 0.000 1.199 472 Y CA -1.937 56.209 58.100 0.077 0.000 1.206 472 Y CB 1.339 39.853 38.460 0.091 0.000 1.229 472 Y HN 0.377 nan 8.280 nan 0.000 0.480 473 T N 2.002 116.735 114.554 0.299 0.000 2.897 473 T HA 0.067 4.416 4.350 -0.000 0.000 0.294 473 T C 0.111 174.832 174.700 0.034 0.000 1.004 473 T CA -0.625 61.596 62.100 0.201 0.000 1.106 473 T CB 0.075 69.034 68.868 0.151 0.000 0.949 473 T HN 0.497 nan 8.240 nan 0.000 0.520 474 N N 2.274 120.904 118.700 -0.116 0.000 2.447 474 N HA 0.112 4.852 4.740 -0.000 0.000 0.263 474 N C 1.159 176.331 175.510 -0.564 0.000 1.226 474 N CA 0.992 53.802 53.050 -0.401 0.000 0.906 474 N CB 0.279 38.378 38.487 -0.647 0.000 1.060 474 N HN 0.813 nan 8.380 nan 0.000 0.468 475 S N 3.214 118.605 115.700 -0.515 0.000 4.149 475 S HA -0.385 4.085 4.470 -0.000 0.000 0.538 475 S C 0.854 175.374 174.600 -0.133 0.000 1.671 475 S CA 1.883 59.775 58.200 -0.513 0.000 4.030 475 S CB -1.347 61.360 63.200 -0.822 0.000 1.255 475 S HN 0.876 nan 8.310 nan 0.000 0.471 476 F N 1.057 120.971 119.950 -0.059 0.000 2.653 476 F HA 0.546 5.073 4.527 -0.000 0.000 0.304 476 F C 0.890 176.638 175.800 -0.087 0.000 1.092 476 F CA -0.807 57.053 58.000 -0.234 0.000 1.279 476 F CB -1.097 37.441 39.000 -0.770 0.000 1.044 476 F HN 0.529 nan 8.300 nan 0.000 0.564 477 H N 1.680 120.516 119.070 -0.390 0.000 2.897 477 H HA 0.230 4.786 4.556 -0.000 0.000 0.347 477 H C 0.379 175.676 175.328 -0.052 0.000 1.068 477 H CA -0.223 55.706 56.048 -0.200 0.000 1.426 477 H CB 1.740 31.355 29.762 -0.245 0.000 1.410 477 H HN 0.235 nan 8.280 nan 0.000 0.597 478 V N 3.067 123.040 119.914 0.099 0.000 2.715 478 V HA 0.019 4.139 4.120 -0.000 0.000 0.299 478 V C 0.632 176.674 176.094 -0.088 0.000 1.054 478 V CA -0.405 61.903 62.300 0.014 0.000 1.077 478 V CB 1.506 33.360 31.823 0.053 0.000 0.972 478 V HN 0.797 nan 8.190 nan 0.000 0.484 479 S N 3.010 118.503 115.700 -0.344 0.000 2.573 479 S HA -0.015 4.455 4.470 -0.000 0.000 0.297 479 S C 1.103 175.649 174.600 -0.090 0.000 1.280 479 S CA 0.123 58.100 58.200 -0.371 0.000 1.061 479 S CB 0.787 63.562 63.200 -0.708 0.000 0.812 479 S HN 1.897 nan 8.310 nan 0.000 0.500 480 V N 2.212 122.146 119.914 0.033 0.000 3.305 480 V HA 0.143 4.262 4.120 -0.000 0.000 0.269 480 V C 0.784 176.927 176.094 0.080 0.000 1.157 480 V CA 1.403 63.749 62.300 0.075 0.000 1.157 480 V CB -0.759 31.136 31.823 0.119 0.000 0.772 480 V HN 0.854 nan 8.190 nan 0.000 0.498 481 E N 0.685 120.926 120.200 0.069 0.000 2.651 481 E HA 0.359 4.709 4.350 -0.000 0.000 0.213 481 E C -0.041 176.577 176.600 0.031 0.000 1.028 481 E CA -0.052 56.387 56.400 0.066 0.000 1.183 481 E CB 0.556 30.309 29.700 0.088 0.000 1.188 481 E HN 0.782 nan 8.360 nan 0.000 0.444 482 E N 1.267 121.475 120.200 0.012 0.000 2.222 482 E HA 0.196 4.546 4.350 -0.000 0.000 0.267 482 E C -0.794 175.820 176.600 0.024 0.000 0.884 482 E CA -0.843 55.566 56.400 0.016 0.000 0.764 482 E CB 0.930 30.629 29.700 -0.003 0.000 1.169 482 E HN -0.088 nan 8.360 nan 0.000 0.413 483 N N 5.180 123.898 118.700 0.030 0.000 2.555 483 N HA 0.205 4.945 4.740 -0.000 0.000 0.244 483 N C -1.338 174.192 175.510 0.034 0.000 1.114 483 N CA 0.087 53.155 53.050 0.030 0.000 0.963 483 N CB 0.005 38.509 38.487 0.029 0.000 1.276 483 N HN 0.455 nan 8.380 nan 0.000 0.510 484 I N 1.217 121.808 120.570 0.034 0.000 2.802 484 I HA 0.217 4.387 4.170 -0.000 0.000 0.298 484 I C 0.364 176.505 176.117 0.040 0.000 1.176 484 I CA -0.556 60.770 61.300 0.042 0.000 1.025 484 I CB 2.160 40.188 38.000 0.048 0.000 1.243 484 I HN 0.345 nan 8.210 nan 0.000 0.424 485 T N 2.156 116.741 114.554 0.052 0.000 2.882 485 T HA 0.339 4.689 4.350 -0.000 0.000 0.287 485 T C -1.966 172.738 174.700 0.007 0.000 1.014 485 T CA -1.393 60.736 62.100 0.049 0.000 1.049 485 T CB 1.254 70.189 68.868 0.111 0.000 1.001 485 T HN 0.310 nan 8.240 nan 0.000 0.525 486 P HA -0.118 nan 4.420 nan 0.000 0.217 486 P C 1.107 178.267 177.300 -0.234 0.000 1.158 486 P CA 1.455 64.421 63.100 -0.223 0.000 0.887 486 P CB -0.180 31.215 31.700 -0.508 0.000 0.792 487 F N -0.625 119.288 119.950 -0.061 0.000 2.259 487 F HA -0.072 4.454 4.527 -0.000 0.000 0.298 487 F C 2.266 178.056 175.800 -0.016 0.000 1.088 487 F CA 1.127 59.000 58.000 -0.212 0.000 1.358 487 F CB -0.879 37.813 39.000 -0.513 0.000 1.040 487 F HN -0.034 nan 8.300 nan 0.000 0.505 488 E N 0.005 120.302 120.200 0.161 0.000 2.285 488 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 488 E C 2.004 178.682 176.600 0.129 0.000 0.997 488 E CA 0.415 56.895 56.400 0.133 0.000 0.845 488 E CB 0.001 29.760 29.700 0.099 0.000 0.782 488 E HN 0.286 nan 8.360 nan 0.000 0.491 489 K N 0.689 121.161 120.400 0.120 0.000 2.062 489 K HA -0.063 4.257 4.320 -0.000 0.000 0.205 489 K C 1.965 178.663 176.600 0.163 0.000 1.051 489 K CA 0.708 57.070 56.287 0.125 0.000 0.941 489 K CB 0.072 32.631 32.500 0.099 0.000 0.719 489 K HN 0.043 nan 8.250 nan 0.000 0.440 490 I N 0.610 121.291 120.570 0.186 0.000 2.179 490 I HA -0.300 3.870 4.170 -0.000 0.000 0.242 490 I C 2.263 178.455 176.117 0.126 0.000 1.088 490 I CA 1.115 62.524 61.300 0.181 0.000 1.357 490 I CB -0.146 37.991 38.000 0.228 0.000 1.051 490 I HN 0.117 nan 8.210 nan 0.000 0.409 491 S N 0.189 115.976 115.700 0.145 0.000 2.356 491 S HA -0.147 4.323 4.470 -0.000 0.000 0.223 491 S C 2.110 176.756 174.600 0.075 0.000 1.032 491 S CA 1.108 59.336 58.200 0.047 0.000 1.005 491 S CB -0.202 63.039 63.200 0.069 0.000 0.867 491 S HN 0.305 nan 8.310 nan 0.000 0.449 492 R N 1.008 121.585 120.500 0.129 0.000 2.096 492 R HA -0.016 4.324 4.340 -0.000 0.000 0.235 492 R C 1.985 178.456 176.300 0.285 0.000 1.127 492 R CA 1.148 57.355 56.100 0.178 0.000 0.968 492 R CB -0.378 30.031 30.300 0.181 0.000 0.861 492 R HN 0.570 nan 8.270 nan 0.000 0.440 493 E N -0.100 120.273 120.200 0.288 0.000 2.190 493 E HA 0.048 4.398 4.350 -0.000 0.000 0.191 493 E C 1.973 178.740 176.600 0.279 0.000 0.978 493 E CA 0.476 57.130 56.400 0.423 0.000 0.839 493 E CB 0.053 30.039 29.700 0.477 0.000 0.787 493 E HN 0.233 nan 8.360 nan 0.000 0.473 494 A N 2.465 125.347 122.820 0.102 0.000 1.903 494 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 494 A C -0.323 177.325 177.584 0.107 0.000 1.191 494 A CA 1.542 53.571 52.037 -0.014 0.000 0.638 494 A CB -1.611 17.403 19.000 0.023 0.000 0.823 494 A HN 0.140 nan 8.150 nan 0.000 0.451 495 P HA -0.164 nan 4.420 nan 0.000 0.218 495 P C 0.761 177.998 177.300 -0.104 0.000 1.146 495 P CA 1.219 64.278 63.100 -0.069 0.000 0.813 495 P CB -0.213 31.307 31.700 -0.300 0.000 0.778 496 Y N -1.891 118.308 120.300 -0.168 0.000 2.373 496 Y HA -0.116 4.434 4.550 -0.000 0.000 0.293 496 Y C 2.590 178.244 175.900 -0.409 0.000 1.129 496 Y CA 1.041 58.884 58.100 -0.427 0.000 1.226 496 Y CB -1.022 36.725 38.460 -1.187 0.000 1.000 496 Y HN 0.220 nan 8.280 nan 0.000 0.549 497 H N -1.671 117.137 119.070 -0.436 0.000 2.456 497 H HA -0.140 4.416 4.556 -0.000 0.000 0.296 497 H C 1.116 175.929 175.328 -0.859 0.000 1.079 497 H CA 1.236 56.776 56.048 -0.846 0.000 1.322 497 H CB -0.207 29.096 29.762 -0.765 0.000 1.388 497 H HN 0.361 nan 8.280 nan 0.000 0.538 498 F N -0.346 119.495 119.950 -0.181 0.000 2.789 498 F HA 0.097 4.624 4.527 -0.000 0.000 0.300 498 F C 1.908 177.655 175.800 -0.088 0.000 1.132 498 F CA 0.321 58.245 58.000 -0.126 0.000 1.404 498 F CB 0.208 39.142 39.000 -0.110 0.000 1.114 498 F HN 0.068 nan 8.300 nan 0.000 0.584 499 I N -1.018 119.576 120.570 0.039 0.000 3.366 499 I HA 0.167 4.337 4.170 -0.000 0.000 0.267 499 I C 1.488 177.659 176.117 0.089 0.000 1.149 499 I CA 0.143 61.471 61.300 0.047 0.000 1.436 499 I CB -0.210 37.791 38.000 0.002 0.000 1.379 499 I HN -0.134 nan 8.210 nan 0.000 0.460 500 A N 1.540 124.436 122.820 0.127 0.000 3.037 500 A HA 0.184 4.504 4.320 -0.000 0.000 0.272 500 A C 1.449 179.260 177.584 0.379 0.000 1.723 500 A CA 0.210 52.417 52.037 0.283 0.000 1.413 500 A CB -1.098 18.182 19.000 0.466 0.000 1.112 500 A HN 0.507 nan 8.150 nan 0.000 0.606 501 T N -2.288 112.437 114.554 0.285 0.000 3.035 501 T HA -0.027 4.323 4.350 -0.000 0.000 0.268 501 T C 1.609 176.550 174.700 0.402 0.000 1.109 501 T CA 1.360 63.644 62.100 0.307 0.000 1.119 501 T CB -0.076 68.903 68.868 0.184 0.000 0.900 501 T HN 0.493 nan 8.240 nan 0.000 0.503 502 G N 0.626 109.666 108.800 0.401 0.000 2.650 502 G HA2 0.475 4.435 3.960 -0.000 0.000 0.214 502 G HA3 0.475 4.435 3.960 -0.000 0.000 0.214 502 G C 0.582 175.781 174.900 0.499 0.000 1.136 502 G CA 0.034 45.371 45.100 0.394 0.000 0.789 502 G HN 1.003 nan 8.290 nan 0.000 0.536 503 G N 0.033 109.150 108.800 0.528 0.000 2.387 503 G HA2 0.514 4.474 3.960 -0.000 0.000 0.309 503 G HA3 0.514 4.474 3.960 -0.000 0.000 0.309 503 G C -1.283 173.769 174.900 0.254 0.000 1.641 503 G CA -0.543 44.769 45.100 0.354 0.000 0.904 503 G HN 0.757 nan 8.290 nan 0.000 0.661 504 H N 0.157 119.409 119.070 0.304 0.000 3.060 504 H HA 0.774 5.330 4.556 -0.000 0.000 0.330 504 H C -1.872 173.487 175.328 0.052 0.000 1.305 504 H CA -0.814 55.320 56.048 0.145 0.000 1.209 504 H CB 1.891 31.680 29.762 0.046 0.000 1.913 504 H HN 0.895 nan 8.280 nan 0.000 0.534 505 I N 0.570 121.147 120.570 0.012 0.000 3.066 505 I HA 0.432 4.602 4.170 -0.000 0.000 0.307 505 I C -1.289 174.779 176.117 -0.081 0.000 1.366 505 I CA -0.361 60.825 61.300 -0.189 0.000 0.972 505 I CB 2.469 40.057 38.000 -0.687 0.000 1.307 505 I HN 0.672 nan 8.210 nan 0.000 0.470 506 S N 3.171 118.836 115.700 -0.059 0.000 2.521 506 S HA 0.641 5.111 4.470 -0.000 0.000 0.295 506 S C -1.522 172.793 174.600 -0.475 0.000 1.098 506 S CA -0.322 57.782 58.200 -0.160 0.000 0.999 506 S CB 1.409 64.831 63.200 0.370 0.000 1.034 506 S HN 0.420 nan 8.310 nan 0.000 0.483 507 Y N 0.639 120.750 120.300 -0.316 0.000 2.487 507 Y HA 0.705 5.254 4.550 -0.000 0.000 0.337 507 Y C -0.095 175.692 175.900 -0.188 0.000 1.076 507 Y CA -1.047 56.839 58.100 -0.356 0.000 1.115 507 Y CB 1.522 39.802 38.460 -0.301 0.000 1.235 507 Y HN 0.292 nan 8.280 nan 0.000 0.468 508 V N 2.656 122.569 119.914 -0.002 0.000 2.709 508 V HA 0.246 4.366 4.120 -0.000 0.000 0.308 508 V C -0.728 175.362 176.094 -0.008 0.000 1.062 508 V CA -1.032 61.303 62.300 0.059 0.000 0.901 508 V CB 1.918 33.859 31.823 0.196 0.000 1.003 508 V HN 0.675 nan 8.190 nan 0.000 0.425 509 E N 4.150 124.342 120.200 -0.013 0.000 2.259 509 E HA 0.547 4.897 4.350 -0.000 0.000 0.281 509 E C -1.191 175.394 176.600 -0.024 0.000 1.027 509 E CA -0.466 55.911 56.400 -0.037 0.000 0.838 509 E CB 2.039 31.718 29.700 -0.034 0.000 1.066 509 E HN 0.231 nan 8.360 nan 0.000 0.401 510 L N 4.208 125.412 121.223 -0.031 0.000 2.424 510 L HA 0.439 4.779 4.340 -0.000 0.000 0.258 510 L C -2.265 174.590 176.870 -0.024 0.000 0.995 510 L CA -1.985 52.842 54.840 -0.021 0.000 0.821 510 L CB 2.054 44.105 42.059 -0.014 0.000 1.383 510 L HN 0.318 nan 8.230 nan 0.000 0.410 511 P HA 0.091 nan 4.420 nan 0.000 0.307 511 P C -0.791 176.501 177.300 -0.014 0.000 1.306 511 P CA -0.452 62.641 63.100 -0.012 0.000 0.742 511 P CB 0.367 32.067 31.700 -0.001 0.000 1.349 512 D N 0.304 120.701 120.400 -0.005 0.000 2.531 512 D HA -0.013 4.627 4.640 -0.000 0.000 0.239 512 D C 0.397 176.694 176.300 -0.006 0.000 1.144 512 D CA 0.621 54.619 54.000 -0.003 0.000 0.869 512 D CB 0.194 41.011 40.800 0.030 0.000 1.160 512 D HN 0.095 nan 8.370 nan 0.000 0.484 513 M N 3.414 123.001 119.600 -0.022 0.000 2.504 513 M HA 0.077 4.557 4.480 -0.000 0.000 0.370 513 M C 1.337 177.614 176.300 -0.038 0.000 1.110 513 M CA -0.200 55.082 55.300 -0.030 0.000 0.938 513 M CB 0.166 32.739 32.600 -0.045 0.000 1.460 513 M HN 0.286 nan 8.290 nan 0.000 0.535 514 K N 1.163 121.544 120.400 -0.032 0.000 2.097 514 K HA -0.048 4.272 4.320 -0.000 0.000 0.205 514 K C 0.725 177.308 176.600 -0.029 0.000 1.050 514 K CA 1.208 57.472 56.287 -0.038 0.000 0.938 514 K CB 0.046 32.518 32.500 -0.047 0.000 0.718 514 K HN 0.428 nan 8.250 nan 0.000 0.442 515 N N 0.658 119.350 118.700 -0.014 0.000 2.279 515 N HA -0.006 4.734 4.740 -0.000 0.000 0.226 515 N C -0.306 175.203 175.510 -0.003 0.000 1.126 515 N CA -0.105 52.942 53.050 -0.004 0.000 0.846 515 N CB 0.441 38.934 38.487 0.011 0.000 1.050 515 N HN -0.007 nan 8.380 nan 0.000 0.502 516 N N 0.730 119.422 118.700 -0.014 0.000 2.646 516 N HA 0.132 4.871 4.740 -0.000 0.000 0.296 516 N C 0.104 175.592 175.510 -0.036 0.000 1.886 516 N CA -0.119 52.923 53.050 -0.013 0.000 0.855 516 N CB 0.084 38.569 38.487 -0.003 0.000 1.336 516 N HN -0.057 nan 8.380 nan 0.000 0.496 517 L N 0.183 121.377 121.223 -0.050 0.000 2.261 517 L HA -0.004 4.336 4.340 -0.000 0.000 0.216 517 L C 2.078 178.897 176.870 -0.085 0.000 1.114 517 L CA 1.299 56.083 54.840 -0.093 0.000 0.777 517 L CB -0.379 41.626 42.059 -0.090 0.000 0.910 517 L HN 0.246 nan 8.230 nan 0.000 0.440 518 K N -0.456 119.927 120.400 -0.028 0.000 2.062 518 K HA 0.008 4.328 4.320 -0.000 0.000 0.205 518 K C 2.093 178.706 176.600 0.022 0.000 1.051 518 K CA 1.183 57.475 56.287 0.009 0.000 0.941 518 K CB -0.767 31.753 32.500 0.034 0.000 0.719 518 K HN 0.245 nan 8.250 nan 0.000 0.440 519 G N 0.892 109.703 108.800 0.018 0.000 2.418 519 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 519 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 519 G C 1.481 176.391 174.900 0.016 0.000 1.158 519 G CA 0.700 45.825 45.100 0.042 0.000 0.771 519 G HN 0.293 nan 8.290 nan 0.000 0.545 520 L N 0.248 121.436 121.223 -0.059 0.000 2.042 520 L HA -0.077 4.263 4.340 -0.000 0.000 0.210 520 L C 2.785 179.534 176.870 -0.202 0.000 1.076 520 L CA 2.110 56.863 54.840 -0.144 0.000 0.749 520 L CB -0.276 41.625 42.059 -0.263 0.000 0.893 520 L HN 0.442 nan 8.230 nan 0.000 0.432 521 E N -0.398 119.698 120.200 -0.173 0.000 2.150 521 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 521 E C 2.026 178.705 176.600 0.131 0.000 0.985 521 E CA 0.955 57.303 56.400 -0.088 0.000 0.814 521 E CB 0.061 29.741 29.700 -0.033 0.000 0.752 521 E HN 0.565 nan 8.360 nan 0.000 0.466 522 A N 0.355 123.266 122.820 0.150 0.000 1.930 522 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 522 A C 2.310 180.097 177.584 0.339 0.000 1.175 522 A CA 1.134 53.327 52.037 0.260 0.000 0.627 522 A CB -0.363 18.803 19.000 0.276 0.000 0.815 522 A HN 0.215 nan 8.150 nan 0.000 0.443 523 V N -2.149 117.899 119.914 0.223 0.000 2.453 523 V HA -0.219 3.900 4.120 -0.000 0.000 0.247 523 V C 2.283 178.552 176.094 0.290 0.000 1.048 523 V CA 1.423 63.821 62.300 0.164 0.000 1.049 523 V CB -0.972 30.918 31.823 0.111 0.000 0.672 523 V HN 0.756 nan 8.190 nan 0.000 0.457 524 W N 0.891 122.261 121.300 0.116 0.000 2.358 524 W HA -0.101 4.558 4.660 -0.000 0.000 0.303 524 W C 2.302 178.837 176.519 0.027 0.000 1.208 524 W CA 1.277 58.676 57.345 0.090 0.000 1.274 524 W CB -0.976 28.565 29.460 0.134 0.000 1.138 524 W HN 0.325 nan 8.180 nan 0.000 0.515 525 D N -1.928 118.671 120.400 0.332 0.000 2.117 525 D HA -0.199 4.441 4.640 -0.000 0.000 0.198 525 D C 1.891 178.314 176.300 0.206 0.000 0.982 525 D CA 1.270 55.405 54.000 0.224 0.000 0.828 525 D CB -0.941 40.003 40.800 0.241 0.000 0.967 525 D HN 0.115 nan 8.370 nan 0.000 0.464 526 Y N 1.664 122.059 120.300 0.158 0.000 2.114 526 Y HA -0.175 4.375 4.550 -0.000 0.000 0.284 526 Y C 2.323 178.274 175.900 0.085 0.000 1.143 526 Y CA 1.621 59.842 58.100 0.202 0.000 1.135 526 Y CB -0.552 38.113 38.460 0.342 0.000 0.980 526 Y HN -0.049 nan 8.280 nan 0.000 0.499 527 A N 0.356 123.116 122.820 -0.100 0.000 1.892 527 A HA -0.237 4.082 4.320 -0.000 0.000 0.218 527 A C 2.430 179.867 177.584 -0.244 0.000 1.188 527 A CA 2.409 54.179 52.037 -0.445 0.000 0.631 527 A CB -1.590 16.623 19.000 -1.312 0.000 0.822 527 A HN 0.591 nan 8.150 nan 0.000 0.447 528 A N -1.430 121.302 122.820 -0.146 0.000 1.972 528 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 528 A C 2.128 179.645 177.584 -0.111 0.000 1.169 528 A CA 2.108 54.092 52.037 -0.089 0.000 0.635 528 A CB -0.439 18.534 19.000 -0.045 0.000 0.810 528 A HN 0.545 nan 8.150 nan 0.000 0.446 529 Q N -0.436 119.258 119.800 -0.176 0.000 2.079 529 Q HA -0.160 4.180 4.340 -0.000 0.000 0.200 529 Q C 1.462 177.180 176.000 -0.469 0.000 0.974 529 Q CA 2.341 57.940 55.803 -0.341 0.000 0.840 529 Q CB -0.364 28.086 28.738 -0.480 0.000 0.898 529 Q HN 0.828 nan 8.270 nan 0.000 0.430 530 H N -1.951 116.993 119.070 -0.210 0.000 2.639 530 H HA 0.298 4.853 4.556 -0.000 0.000 0.267 530 H C -0.376 174.925 175.328 -0.045 0.000 0.958 530 H CA 0.428 56.377 56.048 -0.166 0.000 1.221 530 H CB 0.528 30.103 29.762 -0.312 0.000 1.446 530 H HN 0.194 nan 8.280 nan 0.000 0.512 531 L N -3.050 118.144 121.223 -0.049 0.000 2.194 531 L HA 0.508 4.848 4.340 -0.000 0.000 0.248 531 L C 0.609 177.423 176.870 -0.094 0.000 1.071 531 L CA -0.935 53.782 54.840 -0.205 0.000 0.901 531 L CB 0.467 42.171 42.059 -0.591 0.000 1.497 531 L HN -0.261 nan 8.230 nan 0.000 0.442 532 D N -1.396 119.032 120.400 0.047 0.000 2.394 532 D HA 0.020 4.660 4.640 -0.000 0.000 0.237 532 D C -0.636 175.884 176.300 0.366 0.000 1.028 532 D CA 1.208 55.317 54.000 0.182 0.000 0.937 532 D CB 0.309 41.238 40.800 0.215 0.000 1.072 532 D HN 0.470 nan 8.370 nan 0.000 0.457 533 Y N 0.258 120.817 120.300 0.431 0.000 2.376 533 Y HA 0.522 5.072 4.550 -0.000 0.000 0.340 533 Y C -1.789 174.347 175.900 0.393 0.000 0.965 533 Y CA -2.101 56.201 58.100 0.336 0.000 1.078 533 Y CB 0.698 39.376 38.460 0.364 0.000 1.193 533 Y HN -0.059 nan 8.280 nan 0.000 0.452 534 F N 3.839 123.898 119.950 0.182 0.000 2.608 534 F HA 0.801 5.328 4.527 -0.000 0.000 0.309 534 F C -0.759 175.013 175.800 -0.048 0.000 1.103 534 F CA -0.470 57.523 58.000 -0.012 0.000 0.954 534 F CB 2.223 41.234 39.000 0.018 0.000 1.267 534 F HN 0.661 nan 8.300 nan 0.000 0.444 535 G N 2.541 110.858 108.800 -0.805 0.000 2.672 535 G HA2 0.616 4.575 3.960 -0.000 0.000 0.292 535 G HA3 0.616 4.575 3.960 -0.000 0.000 0.292 535 G C -2.435 172.082 174.900 -0.638 0.000 1.375 535 G CA -0.890 43.934 45.100 -0.461 0.000 0.890 535 G HN 0.610 nan 8.290 nan 0.000 0.476 536 V N 1.412 121.175 119.914 -0.253 0.000 2.444 536 V HA 0.353 4.473 4.120 -0.000 0.000 0.294 536 V C -0.926 175.078 176.094 -0.149 0.000 1.022 536 V CA -1.304 60.904 62.300 -0.154 0.000 0.850 536 V CB 1.630 33.500 31.823 0.078 0.000 0.992 536 V HN 0.622 nan 8.190 nan 0.000 0.426 537 N N 5.788 124.374 118.700 -0.190 0.000 2.415 537 N HA 0.565 5.305 4.740 -0.000 0.000 0.246 537 N C -0.511 174.914 175.510 -0.141 0.000 1.078 537 N CA 0.077 52.991 53.050 -0.226 0.000 0.942 537 N CB 1.120 39.430 38.487 -0.294 0.000 1.140 537 N HN 0.622 nan 8.380 nan 0.000 0.501 538 M N 1.993 121.516 119.600 -0.129 0.000 2.777 538 M HA 0.520 4.999 4.480 -0.000 0.000 0.307 538 M C -2.325 173.911 176.300 -0.107 0.000 1.228 538 M CA -2.002 53.242 55.300 -0.093 0.000 0.871 538 M CB 2.334 34.892 32.600 -0.069 0.000 1.721 538 M HN 0.161 nan 8.290 nan 0.000 0.487 539 P HA 0.233 nan 4.420 nan 0.000 0.293 539 P C -1.150 176.081 177.300 -0.114 0.000 1.300 539 P CA -0.443 62.592 63.100 -0.108 0.000 0.792 539 P CB 0.508 32.153 31.700 -0.091 0.000 0.925 540 V N 0.945 120.778 119.914 -0.135 0.000 2.284 540 V HA 0.553 4.672 4.120 -0.000 0.000 0.274 540 V C -0.947 175.060 176.094 -0.146 0.000 1.023 540 V CA -0.503 61.726 62.300 -0.118 0.000 0.808 540 V CB 1.029 32.794 31.823 -0.095 0.000 1.035 540 V HN 0.274 nan 8.190 nan 0.000 0.445 541 D N 3.857 124.165 120.400 -0.153 0.000 2.433 541 D HA 0.600 5.240 4.640 -0.000 0.000 0.236 541 D C -0.915 175.312 176.300 -0.122 0.000 1.026 541 D CA -0.486 53.400 54.000 -0.190 0.000 0.884 541 D CB 2.949 43.585 40.800 -0.273 0.000 1.384 541 D HN 0.685 nan 8.370 nan 0.000 0.477 542 K N 0.590 120.917 120.400 -0.121 0.000 2.581 542 K HA 0.340 4.660 4.320 -0.000 0.000 0.249 542 K C -1.535 174.991 176.600 -0.123 0.000 0.966 542 K CA -0.591 55.672 56.287 -0.039 0.000 0.811 542 K CB 1.863 34.428 32.500 0.108 0.000 1.223 542 K HN 0.508 nan 8.250 nan 0.000 0.438 543 C N 5.935 125.197 119.300 -0.063 0.000 2.325 543 C HA 0.396 4.856 4.460 -0.000 0.000 0.347 543 C C 1.373 176.430 174.990 0.111 0.000 1.263 543 C CA -0.539 58.431 59.018 -0.081 0.000 1.806 543 C CB -1.041 26.677 27.740 -0.036 0.000 2.405 543 C HN 1.003 nan 8.230 nan 0.000 0.537 544 F N 2.566 122.509 119.950 -0.011 0.000 2.206 544 F HA -0.081 4.445 4.527 -0.000 0.000 0.298 544 F C 2.605 178.404 175.800 -0.001 0.000 1.090 544 F CA 1.153 59.150 58.000 -0.006 0.000 1.323 544 F CB -0.120 38.878 39.000 -0.003 0.000 1.028 544 F HN 0.770 nan 8.300 nan 0.000 0.492 545 T N -2.276 112.387 114.554 0.182 0.000 2.857 545 T HA -0.180 4.169 4.350 -0.000 0.000 0.266 545 T C 1.857 176.601 174.700 0.074 0.000 1.048 545 T CA 1.259 63.422 62.100 0.106 0.000 1.139 545 T CB -1.099 67.810 68.868 0.069 0.000 0.874 545 T HN 0.522 nan 8.240 nan 0.000 0.455 546 C N -0.242 119.098 119.300 0.067 0.000 2.406 546 C HA 0.807 5.267 4.460 -0.000 0.000 0.343 546 C C 2.341 177.363 174.990 0.052 0.000 1.397 546 C CA 0.306 59.354 59.018 0.051 0.000 2.069 546 C CB -0.210 27.555 27.740 0.041 0.000 2.374 546 C HN 0.865 nan 8.230 nan 0.000 0.545 547 G N 0.871 109.708 108.800 0.062 0.000 2.183 547 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.168 547 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.168 547 G C 0.101 175.015 174.900 0.022 0.000 1.008 547 G CA 0.362 45.495 45.100 0.054 0.000 0.677 547 G HN 0.976 nan 8.290 nan 0.000 0.498 548 S N 0.958 116.672 115.700 0.022 0.000 2.546 548 S HA 0.417 4.886 4.470 -0.000 0.000 0.290 548 S C 1.552 176.116 174.600 -0.060 0.000 1.290 548 S CA 1.507 59.707 58.200 -0.001 0.000 1.069 548 S CB 0.616 63.860 63.200 0.073 0.000 0.846 548 S HN 1.276 nan 8.310 nan 0.000 0.495 549 T N 2.452 116.899 114.554 -0.179 0.000 3.215 549 T HA 0.283 4.633 4.350 -0.000 0.000 0.271 549 T C 0.294 174.864 174.700 -0.217 0.000 1.012 549 T CA -0.461 61.536 62.100 -0.172 0.000 0.899 549 T CB -0.299 68.477 68.868 -0.152 0.000 1.089 549 T HN 0.682 nan 8.240 nan 0.000 0.552 550 H N 1.842 120.888 119.070 -0.041 0.000 2.547 550 H HA 0.315 4.871 4.556 -0.000 0.000 0.362 550 H C 0.365 175.649 175.328 -0.073 0.000 1.181 550 H CA -0.448 55.572 56.048 -0.046 0.000 1.376 550 H CB 0.894 30.637 29.762 -0.032 0.000 1.488 550 H HN 0.512 nan 8.280 nan 0.000 0.583 551 E N 1.798 122.042 120.200 0.073 0.000 2.415 551 E HA 0.012 4.362 4.350 -0.000 0.000 0.260 551 E C -0.395 176.193 176.600 -0.020 0.000 1.016 551 E CA -0.320 56.069 56.400 -0.019 0.000 0.924 551 E CB 0.407 30.102 29.700 -0.008 0.000 0.961 551 E HN 0.296 nan 8.360 nan 0.000 0.459 552 M N 3.631 123.167 119.600 -0.107 0.000 2.248 552 M HA 0.048 4.528 4.480 -0.000 0.000 0.337 552 M C 0.043 176.399 176.300 0.094 0.000 1.121 552 M CA 0.366 55.634 55.300 -0.053 0.000 1.155 552 M CB 1.023 33.494 32.600 -0.215 0.000 1.514 552 M HN 0.602 nan 8.290 nan 0.000 0.452 553 T N 1.581 116.220 114.554 0.142 0.000 2.845 553 T HA 0.613 4.963 4.350 -0.000 0.000 0.288 553 T C -2.630 172.196 174.700 0.210 0.000 0.980 553 T CA -1.830 60.358 62.100 0.148 0.000 1.071 553 T CB 0.745 69.652 68.868 0.066 0.000 0.941 553 T HN 0.414 nan 8.240 nan 0.000 0.487 554 P HA 0.290 nan 4.420 nan 0.000 0.287 554 P C -0.349 176.889 177.300 -0.103 0.000 1.307 554 P CA -0.270 62.780 63.100 -0.084 0.000 0.777 554 P CB 0.645 32.270 31.700 -0.124 0.000 0.883 555 T N 1.988 116.463 114.554 -0.132 0.000 2.912 555 T HA 0.154 4.504 4.350 -0.000 0.000 0.280 555 T C 1.531 176.149 174.700 -0.136 0.000 0.989 555 T CA -0.573 61.467 62.100 -0.100 0.000 0.995 555 T CB 0.979 69.809 68.868 -0.064 0.000 1.077 555 T HN 0.324 nan 8.240 nan 0.000 0.531 556 E N 0.868 121.011 120.200 -0.095 0.000 2.204 556 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 556 E C 1.765 178.306 176.600 -0.097 0.000 0.989 556 E CA 0.733 57.078 56.400 -0.092 0.000 0.824 556 E CB -0.132 29.531 29.700 -0.062 0.000 0.756 556 E HN 0.521 nan 8.360 nan 0.000 0.477 557 N N 0.000 118.648 118.700 -0.087 0.000 2.109 557 N HA -0.073 4.667 4.740 -0.000 0.000 0.188 557 N C 1.078 176.527 175.510 -0.102 0.000 1.034 557 N CA 1.257 54.261 53.050 -0.077 0.000 0.846 557 N CB 0.489 38.945 38.487 -0.052 0.000 1.010 557 N HN 0.145 nan 8.380 nan 0.000 0.425 558 G N -0.743 107.978 108.800 -0.131 0.000 2.704 558 G HA2 0.311 4.271 3.960 -0.000 0.000 0.118 558 G HA3 0.311 4.271 3.960 -0.000 0.000 0.118 558 G C -1.597 173.142 174.900 -0.268 0.000 1.197 558 G CA -0.552 44.440 45.100 -0.182 0.000 1.152 558 G HN 0.044 nan 8.290 nan 0.000 0.571 559 F N 0.582 120.500 119.950 -0.054 0.000 2.470 559 F HA 0.718 5.244 4.527 -0.000 0.000 0.329 559 F C 0.484 176.253 175.800 -0.051 0.000 1.072 559 F CA -0.741 57.227 58.000 -0.054 0.000 0.989 559 F CB 2.251 41.211 39.000 -0.066 0.000 1.193 559 F HN 0.421 nan 8.300 nan 0.000 0.481 560 V N -0.426 119.608 119.914 0.201 0.000 2.841 560 V HA 0.474 4.594 4.120 -0.000 0.000 0.310 560 V C -0.932 175.199 176.094 0.061 0.000 1.090 560 V CA -1.304 61.048 62.300 0.087 0.000 0.930 560 V CB 0.997 32.848 31.823 0.047 0.000 1.014 560 V HN 0.919 nan 8.190 nan 0.000 0.425 561 C N 3.909 123.224 119.300 0.025 0.000 2.555 561 C HA 0.408 4.868 4.460 -0.000 0.000 0.385 561 C C 2.143 177.142 174.990 0.015 0.000 1.296 561 C CA 0.783 59.808 59.018 0.012 0.000 1.757 561 C CB -0.234 27.506 27.740 0.001 0.000 2.445 561 C HN 1.113 nan 8.230 nan 0.000 0.571 562 S N 4.142 119.851 115.700 0.014 0.000 2.368 562 S HA -0.251 4.219 4.470 -0.000 0.000 0.226 562 S C 1.484 176.082 174.600 -0.004 0.000 1.044 562 S CA 2.413 60.612 58.200 -0.001 0.000 1.062 562 S CB -0.270 62.915 63.200 -0.025 0.000 0.931 562 S HN 0.940 nan 8.310 nan 0.000 0.440 563 I N -0.538 120.036 120.570 0.008 0.000 2.867 563 I HA 0.095 4.265 4.170 -0.000 0.000 0.265 563 I C 2.345 178.470 176.117 0.014 0.000 1.162 563 I CA 0.652 61.958 61.300 0.010 0.000 1.471 563 I CB -0.517 37.501 38.000 0.030 0.000 1.123 563 I HN 0.489 nan 8.210 nan 0.000 0.440 564 C N 0.771 120.082 119.300 0.017 0.000 2.480 564 C HA 0.754 5.214 4.460 -0.000 0.000 0.304 564 C C 1.996 176.992 174.990 0.010 0.000 1.399 564 C CA 0.364 59.391 59.018 0.015 0.000 1.900 564 C CB -0.075 27.677 27.740 0.019 0.000 2.194 564 C HN 0.821 nan 8.230 nan 0.000 0.550 565 G N 1.095 109.901 108.800 0.009 0.000 2.145 565 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.145 565 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.145 565 G C -0.402 174.502 174.900 0.006 0.000 1.017 565 G CA 0.348 45.453 45.100 0.007 0.000 0.682 565 G HN 0.918 nan 8.290 nan 0.000 0.504 566 E N 0.859 121.061 120.200 0.003 0.000 2.354 566 E HA 0.614 4.964 4.350 -0.000 0.000 0.269 566 E C 1.399 177.996 176.600 -0.004 0.000 1.036 566 E CA 0.584 56.983 56.400 -0.003 0.000 0.876 566 E CB 0.789 30.483 29.700 -0.010 0.000 1.009 566 E HN 0.516 nan 8.360 nan 0.000 0.416 567 T N 0.054 114.605 114.554 -0.004 0.000 3.058 567 T HA 0.152 4.502 4.350 -0.000 0.000 0.278 567 T C -0.001 174.695 174.700 -0.007 0.000 0.974 567 T CA -0.490 61.611 62.100 0.002 0.000 0.893 567 T CB 0.043 68.913 68.868 0.002 0.000 1.138 567 T HN 0.340 nan 8.240 nan 0.000 0.529 568 D N 3.086 123.476 120.400 -0.016 0.000 2.343 568 D HA 0.276 4.916 4.640 -0.000 0.000 0.255 568 D C -1.507 174.769 176.300 -0.039 0.000 1.187 568 D CA -2.176 51.813 54.000 -0.018 0.000 0.875 568 D CB 1.892 42.687 40.800 -0.009 0.000 1.136 568 D HN 0.015 nan 8.370 nan 0.000 0.469 569 P HA -0.132 nan 4.420 nan 0.000 0.218 569 P C 0.774 178.039 177.300 -0.059 0.000 1.148 569 P CA 1.311 64.388 63.100 -0.038 0.000 0.822 569 P CB 0.250 31.942 31.700 -0.013 0.000 0.784 570 K N -0.597 119.790 120.400 -0.021 0.000 2.366 570 K HA -0.002 4.318 4.320 -0.000 0.000 0.198 570 K C 1.076 177.706 176.600 0.049 0.000 1.044 570 K CA 0.736 57.040 56.287 0.028 0.000 0.973 570 K CB 0.009 32.540 32.500 0.051 0.000 0.767 570 K HN 0.102 nan 8.250 nan 0.000 0.475 571 K N 1.088 121.457 120.400 -0.052 0.000 2.570 571 K HA 0.204 4.524 4.320 -0.000 0.000 0.210 571 K C 0.348 176.603 176.600 -0.575 0.000 1.048 571 K CA 0.071 56.312 56.287 -0.076 0.000 1.167 571 K CB 0.251 32.758 32.500 0.013 0.000 0.892 571 K HN 0.301 nan 8.250 nan 0.000 0.480 572 M N -2.181 116.870 119.600 -0.915 0.000 2.682 572 M HA 0.368 4.848 4.480 -0.000 0.000 0.272 572 M C -1.841 173.934 176.300 -0.875 0.000 1.232 572 M CA -0.763 53.878 55.300 -1.097 0.000 0.849 572 M CB 2.084 34.400 32.600 -0.473 0.000 1.695 572 M HN -0.219 nan 8.290 nan 0.000 0.481 573 N N 1.739 120.087 118.700 -0.585 0.000 2.491 573 N HA 0.437 5.177 4.740 -0.000 0.000 0.274 573 N C -1.820 173.573 175.510 -0.195 0.000 1.023 573 N CA -0.017 52.912 53.050 -0.202 0.000 0.902 573 N CB 1.873 40.393 38.487 0.056 0.000 1.267 573 N HN 0.834 nan 8.380 nan 0.000 0.503 574 T N 1.959 116.397 114.554 -0.192 0.000 2.815 574 T HA 0.514 4.864 4.350 -0.000 0.000 0.289 574 T C -0.342 174.255 174.700 -0.171 0.000 1.000 574 T CA -0.726 61.209 62.100 -0.275 0.000 0.958 574 T CB 0.898 69.483 68.868 -0.471 0.000 0.944 574 T HN 0.205 nan 8.240 nan 0.000 0.442 575 I N 3.434 123.904 120.570 -0.167 0.000 2.466 575 I HA 0.548 4.718 4.170 -0.000 0.000 0.289 575 I C -0.062 175.972 176.117 -0.139 0.000 1.026 575 I CA -0.839 60.386 61.300 -0.126 0.000 1.078 575 I CB 1.984 39.917 38.000 -0.113 0.000 1.249 575 I HN 0.573 nan 8.210 nan 0.000 0.429 576 R N 3.941 124.370 120.500 -0.119 0.000 2.873 576 R HA 0.526 4.866 4.340 -0.000 0.000 0.264 576 R C -0.277 175.914 176.300 -0.181 0.000 1.026 576 R CA -1.030 54.987 56.100 -0.138 0.000 1.002 576 R CB 1.911 32.157 30.300 -0.091 0.000 1.174 576 R HN 0.510 nan 8.270 nan 0.000 0.488 577 R N 0.675 121.029 120.500 -0.243 0.000 2.505 577 R HA 0.120 4.460 4.340 -0.000 0.000 0.284 577 R C 0.635 176.748 176.300 -0.311 0.000 1.324 577 R CA 0.040 55.955 56.100 -0.309 0.000 1.432 577 R CB 0.188 30.214 30.300 -0.457 0.000 1.107 577 R HN 0.814 nan 8.270 nan 0.000 0.587 578 T N -1.609 112.809 114.554 -0.226 0.000 3.023 578 T HA -0.017 4.333 4.350 -0.000 0.000 0.266 578 T C 1.211 175.767 174.700 -0.241 0.000 1.093 578 T CA 0.582 62.552 62.100 -0.217 0.000 1.129 578 T CB 0.020 68.782 68.868 -0.176 0.000 0.899 578 T HN 0.489 nan 8.240 nan 0.000 0.491 579 C N -0.097 119.065 119.300 -0.231 0.000 3.234 579 C HA 0.897 5.357 4.460 -0.000 0.000 0.144 579 C C 2.836 177.700 174.990 -0.212 0.000 2.613 579 C CA 0.279 59.172 59.018 -0.208 0.000 0.971 579 C CB 0.223 27.855 27.740 -0.179 0.000 1.363 579 C HN 0.598 nan 8.230 nan 0.000 0.694 580 A N -1.332 121.345 122.820 -0.239 0.000 1.935 580 A HA 0.487 4.807 4.320 -0.000 0.000 0.202 580 A C 0.022 177.388 177.584 -0.365 0.000 1.772 580 A CA 0.167 52.015 52.037 -0.315 0.000 1.013 580 A CB -0.594 18.096 19.000 -0.516 0.000 1.077 580 A HN 0.596 nan 8.150 nan 0.000 0.565 581 Y N 0.721 120.956 120.300 -0.108 0.000 2.316 581 Y HA 0.546 5.096 4.550 -0.000 0.000 0.324 581 Y C 0.486 176.266 175.900 -0.199 0.000 1.267 581 Y CA -0.762 57.250 58.100 -0.146 0.000 1.311 581 Y CB 0.563 38.905 38.460 -0.197 0.000 1.267 581 Y HN 0.150 nan 8.280 nan 0.000 0.516 582 L N 1.624 122.814 121.223 -0.055 0.000 2.439 582 L HA 0.534 4.874 4.340 -0.000 0.000 0.269 582 L C 0.595 177.398 176.870 -0.111 0.000 1.179 582 L CA -0.002 54.755 54.840 -0.138 0.000 0.828 582 L CB 0.214 42.175 42.059 -0.165 0.000 1.106 582 L HN 0.884 nan 8.230 nan 0.000 0.467 583 G N 1.223 109.960 108.800 -0.105 0.000 2.547 583 G HA2 0.141 4.101 3.960 -0.000 0.000 0.291 583 G HA3 0.141 4.101 3.960 -0.000 0.000 0.291 583 G C -1.804 173.059 174.900 -0.063 0.000 1.471 583 G CA -0.774 44.278 45.100 -0.082 0.000 0.798 583 G HN 0.596 nan 8.290 nan 0.000 0.504 584 N N 1.413 120.087 118.700 -0.042 0.000 2.408 584 N HA 0.526 5.266 4.740 -0.000 0.000 0.257 584 N C -2.127 173.391 175.510 0.013 0.000 1.064 584 N CA -1.154 51.891 53.050 -0.008 0.000 0.952 584 N CB 1.141 39.625 38.487 -0.005 0.000 1.093 584 N HN 0.245 nan 8.380 nan 0.000 0.490 585 P HA 0.245 nan 4.420 nan 0.000 0.293 585 P C -1.180 176.138 177.300 0.030 0.000 1.300 585 P CA -0.436 62.683 63.100 0.033 0.000 0.792 585 P CB 0.964 32.689 31.700 0.043 0.000 0.925 586 N N 0.000 118.673 118.700 -0.045 0.000 1.763 586 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 586 N CA 0.000 53.006 53.050 -0.073 0.000 0.885 586 N CB 0.000 38.453 38.487 -0.056 0.000 1.341 586 N HN 0.000 nan 8.380 nan 0.000 0.667