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 1h78_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 FSSNXXTPFV 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 XXXXXXXXXX XXXXXXXXXX XXXXXXMNTI DATA SEQUENCE RRTCAYLGNP NE 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 0.000 176.248 176.300 -0.086 0.000 2.045 26 D CA 0.000 53.945 54.000 -0.091 0.000 0.868 26 D CB 0.000 40.731 40.800 -0.115 0.000 0.688 27 S N 2.625 118.278 115.700 -0.077 0.000 2.470 27 S HA 0.050 4.520 4.470 -0.000 0.000 0.222 27 S C 1.509 176.050 174.600 -0.098 0.000 1.024 27 S CA 0.074 58.229 58.200 -0.074 0.000 0.931 27 S CB 0.237 63.403 63.200 -0.056 0.000 0.791 27 S HN 0.427 nan 8.310 nan 0.000 0.513 28 R N 0.973 121.402 120.500 -0.119 0.000 2.189 28 R HA 0.245 4.584 4.340 -0.000 0.000 0.218 28 R C 0.188 176.333 176.300 -0.257 0.000 1.074 28 R CA 0.218 56.221 56.100 -0.162 0.000 0.991 28 R CB -0.471 29.741 30.300 -0.146 0.000 0.883 28 R HN 0.235 nan 8.270 nan 0.000 0.457 29 V N 2.185 121.965 119.914 -0.222 0.000 2.585 29 V HA -0.104 4.016 4.120 -0.000 0.000 0.296 29 V C 1.077 177.037 176.094 -0.223 0.000 1.035 29 V CA 0.203 62.351 62.300 -0.254 0.000 1.084 29 V CB 0.245 31.977 31.823 -0.151 0.000 0.953 29 V HN 0.095 nan 8.190 nan 0.000 0.483 30 F N 5.856 125.783 119.950 -0.039 0.000 2.063 30 F HA -0.133 4.393 4.527 -0.000 0.000 0.298 30 F C 0.018 175.796 175.800 -0.037 0.000 1.105 30 F CA 2.262 60.241 58.000 -0.035 0.000 1.215 30 F CB -2.040 36.942 39.000 -0.030 0.000 0.972 30 F HN 0.520 nan 8.300 nan 0.000 0.483 31 P HA -0.128 nan 4.420 nan 0.000 0.216 31 P C 1.622 178.936 177.300 0.023 0.000 1.150 31 P CA 2.189 65.326 63.100 0.061 0.000 0.843 31 P CB -0.264 31.448 31.700 0.020 0.000 0.787 32 T N -0.705 113.845 114.554 -0.007 0.000 2.812 32 T HA -0.125 4.225 4.350 -0.000 0.000 0.264 32 T C 1.843 176.536 174.700 -0.012 0.000 1.042 32 T CA 1.023 63.110 62.100 -0.022 0.000 1.140 32 T CB -0.570 68.267 68.868 -0.051 0.000 0.870 32 T HN 0.197 nan 8.240 nan 0.000 0.445 33 Q N 0.891 120.688 119.800 -0.005 0.000 2.061 33 Q HA -0.065 4.275 4.340 -0.000 0.000 0.204 33 Q C 2.623 178.635 176.000 0.020 0.000 0.984 33 Q CA 1.078 56.885 55.803 0.006 0.000 0.846 33 Q CB -0.263 28.491 28.738 0.026 0.000 0.902 33 Q HN 0.383 nan 8.270 nan 0.000 0.421 34 R N 0.815 121.341 120.500 0.043 0.000 2.105 34 R HA -0.143 4.197 4.340 -0.000 0.000 0.239 34 R C 1.790 178.087 176.300 -0.004 0.000 1.135 34 R CA 1.518 57.633 56.100 0.026 0.000 0.967 34 R CB -0.612 29.710 30.300 0.036 0.000 0.861 34 R HN 0.390 nan 8.270 nan 0.000 0.442 35 D N 0.489 120.884 120.400 -0.007 0.000 2.117 35 D HA -0.070 4.570 4.640 -0.000 0.000 0.198 35 D C 2.049 178.310 176.300 -0.065 0.000 0.982 35 D CA 0.716 54.695 54.000 -0.034 0.000 0.828 35 D CB 0.041 40.836 40.800 -0.009 0.000 0.967 35 D HN 0.082 nan 8.370 nan 0.000 0.464 36 L N -0.286 120.913 121.223 -0.041 0.000 2.131 36 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 36 L C 2.500 179.340 176.870 -0.050 0.000 1.092 36 L CA 0.751 55.563 54.840 -0.046 0.000 0.759 36 L CB -0.396 41.646 42.059 -0.028 0.000 0.903 36 L HN 0.217 nan 8.230 nan 0.000 0.435 37 M N -0.565 119.012 119.600 -0.038 0.000 2.086 37 M HA -0.179 4.301 4.480 -0.000 0.000 0.261 37 M C 2.551 178.820 176.300 -0.051 0.000 1.067 37 M CA 1.955 57.234 55.300 -0.036 0.000 1.116 37 M CB -0.509 32.078 32.600 -0.022 0.000 1.348 37 M HN 0.293 nan 8.290 nan 0.000 0.407 38 A N 0.483 123.265 122.820 -0.064 0.000 1.933 38 A HA -0.048 4.272 4.320 -0.000 0.000 0.218 38 A C 2.343 179.849 177.584 -0.129 0.000 1.175 38 A CA 1.878 53.866 52.037 -0.082 0.000 0.628 38 A CB -1.518 17.428 19.000 -0.090 0.000 0.814 38 A HN 0.563 nan 8.150 nan 0.000 0.444 39 G N 0.043 108.743 108.800 -0.167 0.000 2.418 39 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.217 39 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.217 39 G C 1.388 176.230 174.900 -0.097 0.000 1.158 39 G CA 1.101 46.089 45.100 -0.187 0.000 0.771 39 G HN 0.347 nan 8.290 nan 0.000 0.545 40 I N 0.954 121.487 120.570 -0.062 0.000 2.179 40 I HA -0.109 4.061 4.170 -0.000 0.000 0.242 40 I C 3.023 179.135 176.117 -0.009 0.000 1.088 40 I CA 0.662 61.943 61.300 -0.031 0.000 1.357 40 I CB -1.212 36.767 38.000 -0.035 0.000 1.051 40 I HN 0.030 nan 8.210 nan 0.000 0.409 41 V N 0.682 120.584 119.914 -0.020 0.000 2.332 41 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 41 V C 2.601 178.724 176.094 0.048 0.000 1.055 41 V CA 2.039 64.347 62.300 0.014 0.000 1.038 41 V CB -0.762 31.060 31.823 -0.002 0.000 0.651 41 V HN 0.377 nan 8.190 nan 0.000 0.450 42 S N -0.738 114.958 115.700 -0.007 0.000 2.383 42 S HA -0.171 4.299 4.470 -0.000 0.000 0.227 42 S C 1.964 176.552 174.600 -0.019 0.000 1.026 42 S CA 1.247 59.437 58.200 -0.018 0.000 0.981 42 S CB -0.235 62.922 63.200 -0.072 0.000 0.818 42 S HN 0.583 nan 8.310 nan 0.000 0.472 43 K N 0.388 120.777 120.400 -0.019 0.000 2.148 43 K HA -0.102 4.218 4.320 -0.000 0.000 0.204 43 K C 2.134 178.746 176.600 0.019 0.000 1.050 43 K CA 0.989 57.265 56.287 -0.020 0.000 0.942 43 K CB -0.295 32.199 32.500 -0.010 0.000 0.724 43 K HN 0.523 nan 8.250 nan 0.000 0.446 44 H N 1.294 120.339 119.070 -0.041 0.000 2.293 44 H HA -0.063 4.493 4.556 -0.000 0.000 0.300 44 H C 2.032 177.341 175.328 -0.032 0.000 1.082 44 H CA 1.492 57.522 56.048 -0.031 0.000 1.308 44 H CB 0.036 29.784 29.762 -0.025 0.000 1.375 44 H HN 0.090 nan 8.280 nan 0.000 0.495 45 I N 1.072 121.624 120.570 -0.030 0.000 2.264 45 I HA -0.259 3.910 4.170 -0.000 0.000 0.248 45 I C 2.974 179.019 176.117 -0.120 0.000 1.111 45 I CA 0.967 62.208 61.300 -0.099 0.000 1.382 45 I CB -0.425 37.570 38.000 -0.009 0.000 1.060 45 I HN 0.306 nan 8.210 nan 0.000 0.418 46 A N 0.486 123.249 122.820 -0.095 0.000 1.933 46 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 46 A C 2.238 179.745 177.584 -0.129 0.000 1.175 46 A CA 1.697 53.669 52.037 -0.108 0.000 0.628 46 A CB -0.400 18.528 19.000 -0.120 0.000 0.814 46 A HN 0.198 nan 8.150 nan 0.000 0.444 47 K N 0.584 120.900 120.400 -0.140 0.000 2.152 47 K HA -0.081 4.239 4.320 -0.000 0.000 0.206 47 K C 1.207 177.720 176.600 -0.145 0.000 1.048 47 K CA 1.848 58.054 56.287 -0.134 0.000 0.933 47 K CB -0.412 32.006 32.500 -0.137 0.000 0.721 47 K HN 0.729 nan 8.250 nan 0.000 0.447 48 N N -1.139 117.451 118.700 -0.184 0.000 2.336 48 N HA 0.098 4.838 4.740 -0.000 0.000 0.189 48 N C 0.886 176.337 175.510 -0.098 0.000 1.113 48 N CA 0.142 53.105 53.050 -0.144 0.000 0.858 48 N CB 0.284 38.666 38.487 -0.175 0.000 0.970 48 N HN 0.153 nan 8.380 nan 0.000 0.471 49 M N -0.250 119.292 119.600 -0.096 0.000 2.447 49 M HA 0.157 4.636 4.480 -0.000 0.000 0.255 49 M C -0.003 176.247 176.300 -0.083 0.000 1.289 49 M CA 0.251 55.505 55.300 -0.075 0.000 1.128 49 M CB 1.131 33.689 32.600 -0.069 0.000 1.540 49 M HN -0.189 nan 8.290 nan 0.000 0.557 50 V N 3.073 122.922 119.914 -0.108 0.000 2.488 50 V HA 0.204 4.324 4.120 -0.000 0.000 0.277 50 V C -2.181 173.833 176.094 -0.134 0.000 1.046 50 V CA -1.430 60.787 62.300 -0.139 0.000 0.986 50 V CB 0.326 32.044 31.823 -0.175 0.000 0.989 50 V HN 0.072 nan 8.190 nan 0.000 0.475 51 P HA -0.012 nan 4.420 nan 0.000 0.264 51 P C 1.062 178.274 177.300 -0.146 0.000 1.183 51 P CA 0.467 63.511 63.100 -0.093 0.000 0.763 51 P CB 0.558 32.215 31.700 -0.071 0.000 0.807 52 S N 3.383 119.087 115.700 0.007 0.000 2.381 52 S HA -0.247 4.223 4.470 -0.000 0.000 0.230 52 S C 1.612 176.246 174.600 0.056 0.000 1.052 52 S CA 2.115 60.338 58.200 0.037 0.000 1.068 52 S CB -0.937 62.317 63.200 0.091 0.000 0.918 52 S HN 0.552 nan 8.310 nan 0.000 0.448 53 F N 0.811 120.765 119.950 0.007 0.000 2.269 53 F HA 0.124 4.651 4.527 -0.000 0.000 0.301 53 F C 1.805 177.620 175.800 0.025 0.000 1.082 53 F CA 0.706 58.716 58.000 0.016 0.000 1.360 53 F CB -0.735 38.273 39.000 0.013 0.000 1.041 53 F HN 0.222 nan 8.300 nan 0.000 0.512 54 I N -0.164 119.954 120.570 -0.754 0.000 2.233 54 I HA -0.215 3.955 4.170 -0.000 0.000 0.243 54 I C 2.507 178.520 176.117 -0.175 0.000 1.093 54 I CA 1.007 61.999 61.300 -0.514 0.000 1.380 54 I CB -0.493 37.133 38.000 -0.623 0.000 1.067 54 I HN 0.164 nan 8.210 nan 0.000 0.413 55 M N 0.767 120.281 119.600 -0.143 0.000 2.108 55 M HA -0.213 4.267 4.480 -0.000 0.000 0.261 55 M C 2.228 178.565 176.300 0.061 0.000 1.066 55 M CA 1.925 57.208 55.300 -0.029 0.000 1.107 55 M CB -0.964 31.611 32.600 -0.041 0.000 1.356 55 M HN 0.091 nan 8.290 nan 0.000 0.406 56 K N -0.069 120.359 120.400 0.047 0.000 2.097 56 K HA -0.018 4.302 4.320 -0.000 0.000 0.205 56 K C 2.018 178.669 176.600 0.085 0.000 1.050 56 K CA 1.432 57.763 56.287 0.074 0.000 0.938 56 K CB -0.356 32.192 32.500 0.080 0.000 0.718 56 K HN 0.328 nan 8.250 nan 0.000 0.442 57 A N 0.292 123.166 122.820 0.090 0.000 1.972 57 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 57 A C 1.991 179.644 177.584 0.115 0.000 1.169 57 A CA 1.848 53.946 52.037 0.101 0.000 0.635 57 A CB -0.691 18.370 19.000 0.102 0.000 0.810 57 A HN 0.466 nan 8.150 nan 0.000 0.446 58 H N 0.277 119.370 119.070 0.038 0.000 2.326 58 H HA -0.068 4.488 4.556 -0.000 0.000 0.301 58 H C 1.953 177.334 175.328 0.089 0.000 1.081 58 H CA 1.786 57.865 56.048 0.051 0.000 1.334 58 H CB 0.030 29.767 29.762 -0.042 0.000 1.385 58 H HN 0.482 nan 8.280 nan 0.000 0.504 59 E N 0.153 120.372 120.200 0.033 0.000 2.110 59 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 59 E C 2.219 178.821 176.600 0.003 0.000 0.988 59 E CA 1.357 57.762 56.400 0.008 0.000 0.804 59 E CB -0.349 29.388 29.700 0.062 0.000 0.745 59 E HN 0.650 nan 8.360 nan 0.000 0.458 60 S N -0.499 115.222 115.700 0.035 0.000 2.562 60 S HA 0.220 4.690 4.470 -0.000 0.000 0.221 60 S C 1.602 176.246 174.600 0.074 0.000 0.975 60 S CA 0.564 58.793 58.200 0.048 0.000 0.918 60 S CB 0.252 63.484 63.200 0.053 0.000 0.772 60 S HN 0.390 nan 8.310 nan 0.000 0.531 61 G N 1.085 109.946 108.800 0.102 0.000 2.157 61 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.248 61 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.248 61 G C 0.563 175.498 174.900 0.059 0.000 0.979 61 G CA 0.242 45.474 45.100 0.221 0.000 0.650 61 G HN 0.436 nan 8.290 nan 0.000 0.529 62 I N 0.888 121.494 120.570 0.061 0.000 2.252 62 I HA 0.140 4.309 4.170 -0.000 0.000 0.245 62 I C 1.896 178.025 176.117 0.020 0.000 1.102 62 I CA 1.825 63.136 61.300 0.018 0.000 1.385 62 I CB -0.890 37.151 38.000 0.069 0.000 1.064 62 I HN 0.669 nan 8.210 nan 0.000 0.414 63 I N -3.250 117.422 120.570 0.169 0.000 3.343 63 I HA 0.503 4.672 4.170 -0.000 0.000 0.315 63 I C -0.693 175.727 176.117 0.504 0.000 1.153 63 I CA -0.947 60.541 61.300 0.312 0.000 0.952 63 I CB 2.564 40.703 38.000 0.233 0.000 1.287 63 I HN -0.126 nan 8.210 nan 0.000 0.472 64 H N 1.095 120.400 119.070 0.392 0.000 3.013 64 H HA 0.575 5.131 4.556 -0.000 0.000 0.326 64 H C -1.720 173.713 175.328 0.175 0.000 0.973 64 H CA -0.418 55.749 56.048 0.199 0.000 1.369 64 H CB 1.720 31.368 29.762 -0.190 0.000 1.598 64 H HN 0.496 nan 8.280 nan 0.000 0.518 65 V N 6.798 126.627 119.914 -0.142 0.000 2.387 65 V HA 0.091 4.211 4.120 -0.000 0.000 0.260 65 V C 0.738 176.548 176.094 -0.473 0.000 1.054 65 V CA -0.385 61.758 62.300 -0.262 0.000 0.967 65 V CB -0.229 31.372 31.823 -0.371 0.000 1.036 65 V HN 0.810 nan 8.190 nan 0.000 0.481 66 H N 4.352 123.304 119.070 -0.197 0.000 2.757 66 H HA 0.058 4.613 4.556 -0.000 0.000 0.370 66 H C 0.666 175.863 175.328 -0.217 0.000 1.172 66 H CA 0.494 56.475 56.048 -0.112 0.000 1.426 66 H CB 0.589 30.378 29.762 0.045 0.000 1.438 66 H HN 0.766 nan 8.280 nan 0.000 0.612 67 D N 0.932 121.284 120.400 -0.080 0.000 2.811 67 D HA -0.228 4.412 4.640 -0.000 0.000 0.231 67 D C 1.223 177.380 176.300 -0.238 0.000 1.157 67 D CA 0.423 54.258 54.000 -0.274 0.000 0.716 67 D CB -1.062 39.150 40.800 -0.980 0.000 1.077 67 D HN 0.436 nan 8.370 nan 0.000 0.428 68 I N 1.471 121.928 120.570 -0.189 0.000 2.700 68 I HA -0.227 3.943 4.170 -0.000 0.000 0.261 68 I C 1.853 177.895 176.117 -0.126 0.000 1.219 68 I CA 1.597 62.779 61.300 -0.197 0.000 1.463 68 I CB 0.066 37.887 38.000 -0.299 0.000 1.092 68 I HN 0.058 nan 8.210 nan 0.000 0.452 69 D N -1.615 118.727 120.400 -0.096 0.000 2.363 69 D HA -0.182 4.457 4.640 -0.000 0.000 0.226 69 D C 1.357 177.466 176.300 -0.317 0.000 1.020 69 D CA 1.075 54.981 54.000 -0.157 0.000 0.892 69 D CB -0.332 40.376 40.800 -0.153 0.000 0.900 69 D HN 0.420 nan 8.370 nan 0.000 0.531 70 Y N -0.110 120.085 120.300 -0.176 0.000 2.736 70 Y HA 0.252 4.801 4.550 -0.000 0.000 0.272 70 Y C 1.102 177.061 175.900 0.098 0.000 1.118 70 Y CA -0.108 57.926 58.100 -0.111 0.000 1.248 70 Y CB 0.578 38.800 38.460 -0.397 0.000 1.437 70 Y HN -0.080 nan 8.280 nan 0.000 0.481 71 S N 1.241 117.010 115.700 0.115 0.000 2.542 71 S HA 0.374 4.844 4.470 -0.000 0.000 0.293 71 S C -2.496 172.094 174.600 -0.016 0.000 1.089 71 S CA -1.872 56.401 58.200 0.120 0.000 0.961 71 S CB 1.681 64.988 63.200 0.179 0.000 1.062 71 S HN -0.038 nan 8.310 nan 0.000 0.483 72 P HA 0.227 nan 4.420 nan 0.000 0.257 72 P C 1.009 178.336 177.300 0.046 0.000 1.325 72 P CA 0.069 63.189 63.100 0.032 0.000 0.850 72 P CB -0.062 31.628 31.700 -0.015 0.000 1.324 73 A N 0.457 123.306 122.820 0.048 0.000 1.927 73 A HA -0.108 4.212 4.320 -0.000 0.000 0.220 73 A C 1.266 178.890 177.584 0.067 0.000 1.185 73 A CA 1.275 53.339 52.037 0.045 0.000 0.639 73 A CB -0.822 18.205 19.000 0.044 0.000 0.820 73 A HN 0.278 nan 8.150 nan 0.000 0.451 74 L N -1.053 120.253 121.223 0.139 0.000 2.354 74 L HA 0.357 4.696 4.340 -0.000 0.000 0.269 74 L C -2.258 174.652 176.870 0.066 0.000 1.005 74 L CA -2.217 52.654 54.840 0.051 0.000 0.819 74 L CB 2.394 44.448 42.059 -0.009 0.000 1.311 74 L HN -0.039 nan 8.230 nan 0.000 0.423 75 P HA 0.076 nan 4.420 nan 0.000 0.228 75 P C -0.404 176.936 177.300 0.067 0.000 1.748 75 P CA -0.060 63.056 63.100 0.027 0.000 0.909 75 P CB -0.505 31.197 31.700 0.002 0.000 1.882 76 F N 1.263 121.339 119.950 0.209 0.000 2.444 76 F HA 0.202 4.729 4.527 -0.000 0.000 0.331 76 F C 1.932 177.811 175.800 0.130 0.000 1.167 76 F CA 0.556 58.688 58.000 0.221 0.000 1.262 76 F CB 0.454 39.685 39.000 0.384 0.000 1.196 76 F HN 0.007 nan 8.300 nan 0.000 0.583 77 T N -1.304 113.369 114.554 0.197 0.000 2.919 77 T HA 0.372 4.722 4.350 -0.000 0.000 0.282 77 T C 0.267 174.608 174.700 -0.598 0.000 1.020 77 T CA -0.714 61.317 62.100 -0.116 0.000 0.994 77 T CB 1.754 70.565 68.868 -0.095 0.000 1.180 77 T HN 0.474 nan 8.240 nan 0.000 0.566 78 N N -0.617 117.674 118.700 -0.682 0.000 2.333 78 N HA 0.197 4.937 4.740 -0.000 0.000 0.234 78 N C 0.378 175.565 175.510 -0.538 0.000 1.035 78 N CA 0.564 53.055 53.050 -0.931 0.000 1.171 78 N CB -0.282 37.887 38.487 -0.529 0.000 1.503 78 N HN 1.013 nan 8.380 nan 0.000 0.624 79 C N -0.448 118.620 119.300 -0.388 0.000 2.630 79 C HA 0.927 5.387 4.460 -0.000 0.000 0.346 79 C C 0.303 175.138 174.990 -0.259 0.000 1.245 79 C CA -1.322 57.522 59.018 -0.291 0.000 1.804 79 C CB 0.399 27.968 27.740 -0.285 0.000 2.279 79 C HN 0.741 nan 8.230 nan 0.000 0.498 80 C N 0.045 119.220 119.300 -0.209 0.000 3.306 80 C HA 0.726 5.186 4.460 -0.000 0.000 0.335 80 C C -1.315 173.556 174.990 -0.200 0.000 1.382 80 C CA -0.850 58.045 59.018 -0.205 0.000 1.254 80 C CB 0.216 27.923 27.740 -0.056 0.000 1.555 80 C HN 1.097 nan 8.230 nan 0.000 0.463 81 L N 2.479 123.591 121.223 -0.186 0.000 2.272 81 L HA 0.549 4.889 4.340 -0.000 0.000 0.289 81 L C -0.075 176.701 176.870 -0.155 0.000 1.032 81 L CA -0.526 54.211 54.840 -0.172 0.000 0.810 81 L CB 1.582 43.575 42.059 -0.111 0.000 1.205 81 L HN 0.684 nan 8.230 nan 0.000 0.422 82 V N 2.202 121.952 119.914 -0.273 0.000 2.555 82 V HA -0.018 4.102 4.120 -0.000 0.000 0.286 82 V C 0.462 176.520 176.094 -0.061 0.000 1.044 82 V CA -0.195 61.983 62.300 -0.203 0.000 1.026 82 V CB 1.392 32.949 31.823 -0.443 0.000 0.981 82 V HN 0.651 nan 8.190 nan 0.000 0.480 83 D N 3.823 124.222 120.400 -0.002 0.000 2.688 83 D HA 0.046 4.685 4.640 -0.000 0.000 0.228 83 D C 0.948 177.267 176.300 0.031 0.000 1.116 83 D CA -0.178 53.839 54.000 0.028 0.000 1.023 83 D CB 0.200 41.022 40.800 0.037 0.000 1.100 83 D HN 0.462 nan 8.370 nan 0.000 0.487 84 L N 2.473 123.751 121.223 0.092 0.000 2.042 84 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 84 L C 2.200 179.111 176.870 0.069 0.000 1.076 84 L CA 1.777 56.679 54.840 0.104 0.000 0.749 84 L CB -0.396 41.809 42.059 0.242 0.000 0.893 84 L HN 0.204 nan 8.230 nan 0.000 0.432 85 K N -0.816 119.642 120.400 0.098 0.000 2.020 85 K HA -0.193 4.127 4.320 -0.000 0.000 0.212 85 K C 1.950 178.606 176.600 0.092 0.000 1.050 85 K CA 1.751 58.101 56.287 0.106 0.000 0.929 85 K CB -0.748 31.811 32.500 0.097 0.000 0.714 85 K HN 0.501 nan 8.250 nan 0.000 0.443 86 G N 0.606 109.447 108.800 0.069 0.000 2.443 86 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.219 86 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.219 86 G C 1.403 176.340 174.900 0.062 0.000 1.131 86 G CA 0.738 45.878 45.100 0.066 0.000 0.775 86 G HN 0.256 nan 8.290 nan 0.000 0.547 87 M N -0.181 119.427 119.600 0.013 0.000 2.193 87 M HA 0.179 4.659 4.480 -0.000 0.000 0.265 87 M C 2.439 178.825 176.300 0.144 0.000 1.071 87 M CA 0.879 56.166 55.300 -0.022 0.000 1.140 87 M CB -0.242 32.127 32.600 -0.385 0.000 1.369 87 M HN 0.116 nan 8.290 nan 0.000 0.423 88 L N -0.362 120.922 121.223 0.102 0.000 2.141 88 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 88 L C 2.024 179.000 176.870 0.178 0.000 1.094 88 L CA 1.201 56.121 54.840 0.133 0.000 0.763 88 L CB -0.550 41.541 42.059 0.053 0.000 0.908 88 L HN 0.359 nan 8.230 nan 0.000 0.437 89 E N -0.577 119.724 120.200 0.168 0.000 2.140 89 E HA 0.004 4.354 4.350 -0.000 0.000 0.191 89 E C 0.567 177.241 176.600 0.124 0.000 0.973 89 E CA 0.143 56.635 56.400 0.153 0.000 0.829 89 E CB 0.265 30.040 29.700 0.126 0.000 0.781 89 E HN 0.457 nan 8.360 nan 0.000 0.466 90 N N 0.116 118.890 118.700 0.123 0.000 2.476 90 N HA 0.192 4.932 4.740 -0.000 0.000 0.287 90 N C 0.311 175.901 175.510 0.133 0.000 1.262 90 N CA 0.018 53.133 53.050 0.108 0.000 0.980 90 N CB 0.734 39.281 38.487 0.099 0.000 1.163 90 N HN 0.035 nan 8.380 nan 0.000 0.592 91 G N -1.001 107.865 108.800 0.111 0.000 2.695 91 G HA2 0.628 4.588 3.960 -0.000 0.000 0.213 91 G HA3 0.628 4.588 3.960 -0.000 0.000 0.213 91 G C -1.069 173.981 174.900 0.249 0.000 1.406 91 G CA -0.184 44.988 45.100 0.120 0.000 1.049 91 G HN 0.551 nan 8.290 nan 0.000 0.573 92 F N -2.933 117.017 119.950 -0.001 0.000 2.746 92 F HA 0.622 5.149 4.527 -0.000 0.000 0.311 92 F C -1.114 174.677 175.800 -0.014 0.000 1.135 92 F CA -1.414 56.582 58.000 -0.007 0.000 0.954 92 F CB 1.337 40.331 39.000 -0.010 0.000 1.276 92 F HN 0.501 nan 8.300 nan 0.000 0.440 93 K N 2.544 122.938 120.400 -0.010 0.000 2.227 93 K HA 0.613 4.933 4.320 -0.000 0.000 0.280 93 K C -1.543 175.053 176.600 -0.007 0.000 1.041 93 K CA -0.767 55.459 56.287 -0.102 0.000 0.905 93 K CB 1.154 33.645 32.500 -0.014 0.000 1.068 93 K HN 0.719 nan 8.250 nan 0.000 0.470 94 L N 5.715 126.864 121.223 -0.123 0.000 2.337 94 L HA 0.458 4.798 4.340 -0.000 0.000 0.269 94 L C 0.380 177.244 176.870 -0.010 0.000 1.018 94 L CA 0.966 55.825 54.840 0.031 0.000 0.876 94 L CB -0.250 41.847 42.059 0.064 0.000 1.236 94 L HN 0.948 nan 8.230 nan 0.000 0.436 95 G N 5.299 114.106 108.800 0.012 0.000 2.552 95 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.267 95 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.267 95 G C 0.653 175.547 174.900 -0.010 0.000 1.174 95 G CA 0.495 45.598 45.100 0.005 0.000 0.955 95 G HN 0.587 nan 8.290 nan 0.000 0.546 96 N N 1.512 120.200 118.700 -0.021 0.000 2.282 96 N HA 0.516 5.256 4.740 -0.000 0.000 0.185 96 N C 0.721 176.202 175.510 -0.049 0.000 1.099 96 N CA 0.519 53.553 53.050 -0.027 0.000 0.878 96 N CB 0.650 39.126 38.487 -0.019 0.000 0.993 96 N HN 0.872 nan 8.380 nan 0.000 0.481 97 A N 0.909 123.689 122.820 -0.067 0.000 2.404 97 A HA 0.178 4.498 4.320 -0.000 0.000 0.273 97 A C 0.001 177.487 177.584 -0.165 0.000 1.144 97 A CA -0.008 51.969 52.037 -0.099 0.000 0.806 97 A CB 0.330 19.271 19.000 -0.097 0.000 1.080 97 A HN 0.089 nan 8.150 nan 0.000 0.509 98 Q N 2.959 122.669 119.800 -0.149 0.000 2.452 98 Q HA 0.277 4.617 4.340 -0.000 0.000 0.230 98 Q C -0.228 175.629 176.000 -0.239 0.000 1.180 98 Q CA -0.111 55.585 55.803 -0.178 0.000 0.914 98 Q CB -0.274 28.402 28.738 -0.102 0.000 1.408 98 Q HN 0.588 nan 8.270 nan 0.000 0.520 99 I N 2.509 122.818 120.570 -0.435 0.000 2.634 99 I HA 0.116 4.286 4.170 -0.000 0.000 0.284 99 I C 0.737 176.696 176.117 -0.262 0.000 1.124 99 I CA 0.274 61.309 61.300 -0.441 0.000 1.417 99 I CB 0.484 37.967 38.000 -0.863 0.000 1.396 99 I HN 0.603 nan 8.210 nan 0.000 0.571 100 E N 2.685 122.803 120.200 -0.138 0.000 2.299 100 E HA 0.341 4.691 4.350 -0.000 0.000 0.260 100 E C -0.577 176.021 176.600 -0.003 0.000 0.944 100 E CA -0.865 55.506 56.400 -0.048 0.000 0.815 100 E CB 1.233 30.915 29.700 -0.030 0.000 1.252 100 E HN 0.457 nan 8.360 nan 0.000 0.418 101 T N 4.238 118.821 114.554 0.049 0.000 2.849 101 T HA 0.017 4.367 4.350 -0.000 0.000 0.289 101 T C -2.076 172.656 174.700 0.052 0.000 1.010 101 T CA -0.675 61.480 62.100 0.091 0.000 1.161 101 T CB -0.247 68.718 68.868 0.162 0.000 0.989 101 T HN 0.256 nan 8.240 nan 0.000 0.523 102 P HA 0.146 nan 4.420 nan 0.000 0.269 102 P C 0.089 177.450 177.300 0.101 0.000 1.215 102 P CA -0.393 62.655 63.100 -0.087 0.000 0.780 102 P CB 0.747 32.247 31.700 -0.332 0.000 0.898 103 K N 0.173 120.623 120.400 0.083 0.000 2.440 103 K HA 0.245 4.565 4.320 -0.000 0.000 0.206 103 K C 0.171 176.845 176.600 0.123 0.000 1.025 103 K CA 0.013 56.372 56.287 0.120 0.000 1.135 103 K CB 0.066 32.605 32.500 0.065 0.000 0.856 103 K HN 0.596 nan 8.250 nan 0.000 0.502 104 S N -0.786 114.995 115.700 0.135 0.000 2.578 104 S HA 0.239 4.709 4.470 -0.000 0.000 0.272 104 S C 0.453 175.123 174.600 0.116 0.000 1.145 104 S CA -0.872 57.400 58.200 0.119 0.000 0.835 104 S CB 0.656 63.892 63.200 0.059 0.000 1.104 104 S HN -0.061 nan 8.310 nan 0.000 0.458 105 I N 2.360 123.006 120.570 0.127 0.000 2.252 105 I HA 0.125 4.295 4.170 -0.000 0.000 0.245 105 I C 2.193 178.279 176.117 -0.051 0.000 1.102 105 I CA 2.291 63.640 61.300 0.083 0.000 1.385 105 I CB -1.020 37.043 38.000 0.105 0.000 1.064 105 I HN 0.965 nan 8.210 nan 0.000 0.414 106 G N -0.323 108.460 108.800 -0.029 0.000 2.442 106 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.219 106 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.219 106 G C 1.618 176.463 174.900 -0.091 0.000 1.141 106 G CA 1.108 46.166 45.100 -0.069 0.000 0.763 106 G HN 0.369 nan 8.290 nan 0.000 0.554 107 V N 0.789 120.659 119.914 -0.075 0.000 3.129 107 V HA 0.127 4.247 4.120 -0.000 0.000 0.259 107 V C 2.964 178.967 176.094 -0.151 0.000 1.116 107 V CA 1.471 63.718 62.300 -0.088 0.000 1.127 107 V CB 0.123 31.910 31.823 -0.061 0.000 0.742 107 V HN 0.463 nan 8.190 nan 0.000 0.474 108 A N 0.555 123.245 122.820 -0.216 0.000 2.030 108 A HA -0.085 4.235 4.320 -0.000 0.000 0.215 108 A C 2.388 179.797 177.584 -0.290 0.000 1.164 108 A CA 1.598 53.430 52.037 -0.341 0.000 0.697 108 A CB -0.496 18.160 19.000 -0.574 0.000 0.827 108 A HN 0.573 nan 8.150 nan 0.000 0.457 109 T N -2.998 111.379 114.554 -0.295 0.000 3.043 109 T HA 0.287 4.637 4.350 -0.000 0.000 0.263 109 T C 1.844 176.451 174.700 -0.155 0.000 1.094 109 T CA 1.129 63.019 62.100 -0.350 0.000 1.127 109 T CB -0.163 68.369 68.868 -0.560 0.000 0.905 109 T HN 0.386 nan 8.240 nan 0.000 0.490 110 A N 1.728 124.476 122.820 -0.121 0.000 1.897 110 A HA 0.216 4.536 4.320 -0.000 0.000 0.215 110 A C 2.315 179.878 177.584 -0.035 0.000 1.181 110 A CA 1.004 53.010 52.037 -0.053 0.000 0.620 110 A CB -0.769 18.200 19.000 -0.051 0.000 0.821 110 A HN 0.548 nan 8.150 nan 0.000 0.443 111 I N -0.782 119.753 120.570 -0.058 0.000 2.286 111 I HA -0.278 3.892 4.170 -0.000 0.000 0.248 111 I C 2.686 178.783 176.117 -0.033 0.000 1.115 111 I CA 1.751 63.047 61.300 -0.007 0.000 1.392 111 I CB -0.227 37.772 38.000 -0.002 0.000 1.065 111 I HN 0.494 nan 8.210 nan 0.000 0.418 112 M N 0.734 120.247 119.600 -0.146 0.000 2.117 112 M HA -0.210 4.270 4.480 -0.000 0.000 0.262 112 M C 2.385 178.630 176.300 -0.091 0.000 1.065 112 M CA 2.180 57.302 55.300 -0.296 0.000 1.114 112 M CB -0.107 32.152 32.600 -0.568 0.000 1.361 112 M HN 0.234 nan 8.290 nan 0.000 0.408 113 A N 0.002 122.879 122.820 0.096 0.000 1.933 113 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 113 A C 1.899 179.516 177.584 0.055 0.000 1.175 113 A CA 1.788 53.894 52.037 0.114 0.000 0.628 113 A CB -0.747 18.265 19.000 0.020 0.000 0.814 113 A HN 0.728 nan 8.150 nan 0.000 0.444 114 Q N -0.706 119.124 119.800 0.050 0.000 2.167 114 Q HA -0.011 4.329 4.340 -0.000 0.000 0.202 114 Q C 1.872 177.927 176.000 0.093 0.000 0.970 114 Q CA 1.253 57.096 55.803 0.066 0.000 0.855 114 Q CB -0.221 28.562 28.738 0.074 0.000 0.911 114 Q HN 0.739 nan 8.270 nan 0.000 0.438 115 I N -0.054 120.574 120.570 0.096 0.000 2.406 115 I HA -0.200 3.970 4.170 -0.000 0.000 0.249 115 I C 1.998 178.219 176.117 0.172 0.000 1.122 115 I CA 0.926 62.283 61.300 0.095 0.000 1.431 115 I CB -0.137 37.894 38.000 0.051 0.000 1.087 115 I HN 0.172 nan 8.210 nan 0.000 0.424 116 T N 0.960 115.671 114.554 0.261 0.000 2.720 116 T HA -0.216 4.134 4.350 -0.000 0.000 0.268 116 T C 2.026 176.808 174.700 0.137 0.000 1.037 116 T CA 1.623 63.901 62.100 0.298 0.000 1.144 116 T CB -0.318 68.736 68.868 0.310 0.000 0.864 116 T HN 0.474 nan 8.240 nan 0.000 0.444 117 A N 1.133 124.009 122.820 0.093 0.000 1.930 117 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 117 A C 2.404 180.046 177.584 0.095 0.000 1.175 117 A CA 1.042 53.119 52.037 0.067 0.000 0.627 117 A CB -0.424 18.605 19.000 0.048 0.000 0.815 117 A HN 0.309 nan 8.150 nan 0.000 0.443 118 Q N -0.295 119.564 119.800 0.099 0.000 2.046 118 Q HA -0.091 4.249 4.340 -0.000 0.000 0.200 118 Q C 2.355 178.438 176.000 0.137 0.000 0.975 118 Q CA 1.640 57.508 55.803 0.109 0.000 0.836 118 Q CB -0.724 28.025 28.738 0.020 0.000 0.896 118 Q HN 0.472 nan 8.270 nan 0.000 0.428 119 V N 1.150 121.096 119.914 0.053 0.000 2.358 119 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 119 V C 2.376 178.510 176.094 0.067 0.000 1.047 119 V CA 1.622 63.926 62.300 0.007 0.000 1.035 119 V CB -1.029 30.761 31.823 -0.055 0.000 0.658 119 V HN 0.313 nan 8.190 nan 0.000 0.452 120 A N 0.767 123.626 122.820 0.064 0.000 1.940 120 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 120 A C 2.284 179.905 177.584 0.063 0.000 1.176 120 A CA 2.111 54.169 52.037 0.034 0.000 0.631 120 A CB -0.625 18.371 19.000 -0.007 0.000 0.814 120 A HN 0.683 nan 8.150 nan 0.000 0.446 121 S N -1.664 114.109 115.700 0.122 0.000 2.671 121 S HA 0.101 4.570 4.470 -0.000 0.000 0.220 121 S C 0.614 175.232 174.600 0.030 0.000 0.951 121 S CA 0.607 58.855 58.200 0.079 0.000 0.932 121 S CB -0.485 62.740 63.200 0.042 0.000 0.777 121 S HN 0.687 nan 8.310 nan 0.000 0.508 122 H N 1.127 120.291 119.070 0.156 0.000 3.078 122 H HA 0.346 4.901 4.556 -0.000 0.000 0.263 122 H C 0.370 175.899 175.328 0.335 0.000 1.177 122 H CA -0.354 55.839 56.048 0.241 0.000 1.128 122 H CB 0.440 30.229 29.762 0.044 0.000 1.623 122 H HN 0.692 nan 8.280 nan 0.000 0.592 123 Q N -0.569 119.391 119.800 0.266 0.000 2.553 123 Q HA 0.228 4.567 4.340 -0.000 0.000 0.293 123 Q C -0.559 175.296 176.000 -0.241 0.000 1.038 123 Q CA -1.163 54.694 55.803 0.090 0.000 0.777 123 Q CB 1.111 29.822 28.738 -0.044 0.000 1.487 123 Q HN 0.242 nan 8.270 nan 0.000 0.426 124 Y N -1.791 118.289 120.300 -0.366 0.000 2.449 124 Y HA 0.563 5.113 4.550 -0.000 0.000 0.254 124 Y C 0.446 176.129 175.900 -0.361 0.000 1.140 124 Y CA -0.174 57.498 58.100 -0.714 0.000 1.272 124 Y CB 0.290 37.973 38.460 -1.294 0.000 1.114 124 Y HN 0.628 nan 8.280 nan 0.000 0.525 125 G N 0.385 108.957 108.800 -0.380 0.000 2.613 125 G HA2 0.486 4.446 3.960 -0.000 0.000 0.303 125 G HA3 0.486 4.446 3.960 -0.000 0.000 0.303 125 G C -0.044 174.783 174.900 -0.121 0.000 1.312 125 G CA -0.567 44.380 45.100 -0.256 0.000 1.036 125 G HN 0.480 nan 8.290 nan 0.000 0.513 126 G N -1.216 107.491 108.800 -0.156 0.000 2.614 126 G HA2 0.448 4.408 3.960 -0.000 0.000 0.239 126 G HA3 0.448 4.408 3.960 -0.000 0.000 0.239 126 G C 0.230 175.087 174.900 -0.073 0.000 1.240 126 G CA 0.721 45.819 45.100 -0.002 0.000 0.842 126 G HN 0.990 nan 8.290 nan 0.000 0.584 127 T N -1.518 113.001 114.554 -0.058 0.000 2.824 127 T HA 0.639 4.989 4.350 -0.000 0.000 0.282 127 T C -0.324 174.248 174.700 -0.215 0.000 0.993 127 T CA -0.601 61.402 62.100 -0.162 0.000 0.967 127 T CB 1.809 70.589 68.868 -0.146 0.000 0.960 127 T HN 0.384 nan 8.240 nan 0.000 0.441 128 T N 4.158 118.523 114.554 -0.314 0.000 2.829 128 T HA 0.577 4.927 4.350 -0.000 0.000 0.280 128 T C -1.085 173.342 174.700 -0.455 0.000 0.999 128 T CA -0.361 61.577 62.100 -0.271 0.000 0.983 128 T CB 0.448 69.211 68.868 -0.175 0.000 0.968 128 T HN 0.542 nan 8.240 nan 0.000 0.446 129 F N 2.574 122.526 119.950 0.004 0.000 2.308 129 F HA 0.566 5.093 4.527 -0.000 0.000 0.370 129 F C 0.777 176.590 175.800 0.022 0.000 1.100 129 F CA -0.980 57.023 58.000 0.006 0.000 1.108 129 F CB 0.571 39.563 39.000 -0.014 0.000 1.293 129 F HN 0.611 nan 8.300 nan 0.000 0.478 130 A N 3.245 126.141 122.820 0.128 0.000 2.401 130 A HA 0.353 4.673 4.320 -0.000 0.000 0.259 130 A C 0.496 178.192 177.584 0.187 0.000 1.103 130 A CA -0.529 51.593 52.037 0.142 0.000 0.789 130 A CB -0.339 18.731 19.000 0.117 0.000 1.035 130 A HN 0.946 nan 8.150 nan 0.000 0.491 131 N N 0.321 119.159 118.700 0.229 0.000 2.696 131 N HA -0.185 4.555 4.740 -0.000 0.000 0.256 131 N C 0.549 176.174 175.510 0.193 0.000 1.031 131 N CA 0.458 53.647 53.050 0.232 0.000 0.730 131 N CB -1.501 37.092 38.487 0.178 0.000 0.894 131 N HN 0.943 nan 8.380 nan 0.000 0.544 132 V N -2.333 117.704 119.914 0.206 0.000 2.913 132 V HA -0.209 3.911 4.120 -0.000 0.000 0.260 132 V C 2.016 178.184 176.094 0.123 0.000 1.098 132 V CA 1.828 64.225 62.300 0.161 0.000 1.121 132 V CB -0.229 31.683 31.823 0.147 0.000 0.714 132 V HN 0.489 nan 8.190 nan 0.000 0.487 133 D N 0.528 120.998 120.400 0.116 0.000 2.117 133 D HA -0.168 4.472 4.640 -0.000 0.000 0.198 133 D C 1.937 178.262 176.300 0.041 0.000 0.982 133 D CA 1.345 55.372 54.000 0.045 0.000 0.828 133 D CB -0.391 40.451 40.800 0.070 0.000 0.967 133 D HN 0.350 nan 8.370 nan 0.000 0.464 134 K N 0.460 120.902 120.400 0.070 0.000 2.031 134 K HA 0.029 4.349 4.320 -0.000 0.000 0.205 134 K C 2.427 179.054 176.600 0.045 0.000 1.049 134 K CA 0.593 56.904 56.287 0.040 0.000 0.939 134 K CB -0.372 32.158 32.500 0.051 0.000 0.717 134 K HN 0.151 nan 8.250 nan 0.000 0.438 135 V N 2.018 121.985 119.914 0.089 0.000 2.307 135 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 135 V C 2.363 178.554 176.094 0.161 0.000 1.045 135 V CA 1.508 63.878 62.300 0.118 0.000 1.024 135 V CB -0.468 31.439 31.823 0.139 0.000 0.651 135 V HN 0.191 nan 8.190 nan 0.000 0.449 136 L N 0.220 121.544 121.223 0.168 0.000 2.395 136 L HA -0.043 4.297 4.340 -0.000 0.000 0.218 136 L C 2.670 179.614 176.870 0.123 0.000 1.130 136 L CA 1.005 56.001 54.840 0.261 0.000 0.826 136 L CB -0.589 41.616 42.059 0.244 0.000 0.941 136 L HN 0.438 nan 8.230 nan 0.000 0.451 137 S N 1.289 116.982 115.700 -0.013 0.000 2.390 137 S HA -0.182 4.288 4.470 -0.000 0.000 0.234 137 S C -0.272 174.179 174.600 -0.248 0.000 1.063 137 S CA 2.122 60.234 58.200 -0.148 0.000 1.108 137 S CB -0.972 62.137 63.200 -0.151 0.000 0.975 137 S HN 0.203 nan 8.310 nan 0.000 0.442 138 P HA -0.075 nan 4.420 nan 0.000 0.217 138 P C 0.501 177.435 177.300 -0.610 0.000 1.148 138 P CA 1.259 64.058 63.100 -0.503 0.000 0.828 138 P CB -0.217 31.088 31.700 -0.659 0.000 0.783 139 Y N -2.145 118.151 120.300 -0.007 0.000 2.519 139 Y HA -0.001 4.548 4.550 -0.000 0.000 0.287 139 Y C 2.208 178.122 175.900 0.024 0.000 1.128 139 Y CA 0.188 58.295 58.100 0.012 0.000 1.282 139 Y CB -1.235 37.225 38.460 0.000 0.000 1.027 139 Y HN -0.239 nan 8.280 nan 0.000 0.551 140 V N 0.179 120.101 119.914 0.012 0.000 2.667 140 V HA -0.219 3.900 4.120 -0.000 0.000 0.252 140 V C 1.926 178.053 176.094 0.054 0.000 1.065 140 V CA 1.614 63.927 62.300 0.022 0.000 1.083 140 V CB -0.364 31.394 31.823 -0.109 0.000 0.692 140 V HN 0.348 nan 8.190 nan 0.000 0.468 141 K N -0.097 120.289 120.400 -0.024 0.000 2.103 141 K HA -0.069 4.251 4.320 -0.000 0.000 0.204 141 K C 2.375 179.097 176.600 0.204 0.000 1.052 141 K CA 1.018 57.377 56.287 0.120 0.000 0.945 141 K CB -0.172 32.349 32.500 0.035 0.000 0.722 141 K HN 0.325 nan 8.250 nan 0.000 0.443 142 R N 0.183 120.751 120.500 0.113 0.000 2.092 142 R HA -0.051 4.289 4.340 -0.000 0.000 0.231 142 R C 2.267 178.662 176.300 0.158 0.000 1.119 142 R CA 1.460 57.636 56.100 0.127 0.000 0.970 142 R CB -0.282 30.085 30.300 0.111 0.000 0.864 142 R HN 0.106 nan 8.270 nan 0.000 0.440 143 T N 0.028 114.695 114.554 0.189 0.000 2.788 143 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 143 T C 1.297 176.184 174.700 0.312 0.000 1.044 143 T CA 1.269 63.493 62.100 0.207 0.000 1.139 143 T CB -0.293 68.719 68.868 0.240 0.000 0.867 143 T HN 0.284 nan 8.240 nan 0.000 0.454 144 Y N 1.940 122.398 120.300 0.264 0.000 2.114 144 Y HA -0.020 4.530 4.550 -0.000 0.000 0.284 144 Y C 2.492 178.533 175.900 0.235 0.000 1.143 144 Y CA 1.012 59.302 58.100 0.317 0.000 1.135 144 Y CB -0.830 37.883 38.460 0.421 0.000 0.980 144 Y HN 0.176 nan 8.280 nan 0.000 0.499 145 A N 0.546 123.529 122.820 0.272 0.000 1.892 145 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 145 A C 2.218 179.817 177.584 0.025 0.000 1.188 145 A CA 2.333 54.449 52.037 0.132 0.000 0.631 145 A CB -0.696 18.399 19.000 0.159 0.000 0.822 145 A HN 0.553 nan 8.150 nan 0.000 0.447 146 K N -1.324 119.078 120.400 0.003 0.000 2.147 146 K HA -0.142 4.177 4.320 -0.000 0.000 0.205 146 K C 1.804 178.323 176.600 -0.135 0.000 1.049 146 K CA 1.327 57.565 56.287 -0.080 0.000 0.936 146 K CB -0.276 32.136 32.500 -0.147 0.000 0.722 146 K HN 0.610 nan 8.250 nan 0.000 0.446 147 H N -0.095 118.978 119.070 0.005 0.000 2.529 147 H HA 0.033 4.588 4.556 -0.000 0.000 0.277 147 H C 1.855 177.217 175.328 0.057 0.000 0.999 147 H CA 0.664 56.729 56.048 0.028 0.000 1.256 147 H CB 0.370 30.070 29.762 -0.102 0.000 1.402 147 H HN 0.103 nan 8.280 nan 0.000 0.566 148 I N 0.484 121.052 120.570 -0.003 0.000 2.429 148 I HA -0.132 4.038 4.170 -0.000 0.000 0.247 148 I C 2.394 178.535 176.117 0.040 0.000 1.099 148 I CA 0.733 62.015 61.300 -0.030 0.000 1.422 148 I CB -0.659 37.262 38.000 -0.131 0.000 1.112 148 I HN 0.238 nan 8.210 nan 0.000 0.430 149 E N 0.648 120.872 120.200 0.039 0.000 2.333 149 E HA -0.255 4.095 4.350 -0.000 0.000 0.198 149 E C 1.032 177.690 176.600 0.097 0.000 1.007 149 E CA 1.210 57.640 56.400 0.051 0.000 0.845 149 E CB 0.160 29.884 29.700 0.040 0.000 0.766 149 E HN 0.306 nan 8.360 nan 0.000 0.507 150 D N -0.950 119.541 120.400 0.152 0.000 2.346 150 D HA 0.133 4.773 4.640 -0.000 0.000 0.206 150 D C 1.387 177.824 176.300 0.228 0.000 1.001 150 D CA 0.716 54.879 54.000 0.272 0.000 0.871 150 D CB 0.322 41.296 40.800 0.290 0.000 0.943 150 D HN 0.262 nan 8.370 nan 0.000 0.518 151 A N 0.799 123.694 122.820 0.124 0.000 1.970 151 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 151 A C 1.970 179.543 177.584 -0.018 0.000 1.170 151 A CA 1.280 53.297 52.037 -0.035 0.000 0.645 151 A CB -0.308 18.707 19.000 0.025 0.000 0.816 151 A HN 0.367 nan 8.150 nan 0.000 0.447 152 E N -0.085 120.124 120.200 0.014 0.000 2.030 152 E HA -0.121 4.229 4.350 -0.000 0.000 0.189 152 E C 1.929 178.499 176.600 -0.050 0.000 0.974 152 E CA 0.909 57.298 56.400 -0.017 0.000 0.807 152 E CB -0.565 29.125 29.700 -0.016 0.000 0.771 152 E HN 0.413 nan 8.360 nan 0.000 0.451 153 K N 0.058 120.425 120.400 -0.054 0.000 2.259 153 K HA -0.191 4.129 4.320 -0.000 0.000 0.206 153 K C 0.337 176.607 176.600 -0.551 0.000 1.044 153 K CA 1.862 58.005 56.287 -0.240 0.000 0.931 153 K CB -0.169 32.234 32.500 -0.162 0.000 0.726 153 K HN 0.349 nan 8.250 nan 0.000 0.467 154 W N 1.260 122.520 121.300 -0.067 0.000 2.771 154 W HA 0.235 4.895 4.660 -0.000 0.000 0.412 154 W C -0.553 175.910 176.519 -0.095 0.000 0.965 154 W CA -0.584 56.716 57.345 -0.076 0.000 2.045 154 W CB 0.632 30.040 29.460 -0.087 0.000 1.176 154 W HN -0.029 nan 8.180 nan 0.000 0.634 155 Q N 0.775 120.567 119.800 -0.014 0.000 2.443 155 Q HA -0.204 4.136 4.340 -0.000 0.000 0.362 155 Q C -0.392 175.592 176.000 -0.026 0.000 1.423 155 Q CA 1.156 56.942 55.803 -0.028 0.000 1.037 155 Q CB -2.263 26.456 28.738 -0.033 0.000 1.208 155 Q HN 0.490 nan 8.270 nan 0.000 0.334 156 I N -0.500 120.031 120.570 -0.066 0.000 2.331 156 I HA 0.328 4.498 4.170 -0.000 0.000 0.292 156 I C 1.613 177.686 176.117 -0.073 0.000 0.998 156 I CA -0.109 61.118 61.300 -0.122 0.000 1.267 156 I CB 1.487 39.284 38.000 -0.337 0.000 1.386 156 I HN 0.416 nan 8.210 nan 0.000 0.476 157 A N 4.738 127.531 122.820 -0.046 0.000 1.842 157 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 157 A C 1.552 179.133 177.584 -0.005 0.000 1.206 157 A CA 1.636 53.663 52.037 -0.018 0.000 0.630 157 A CB -0.361 18.635 19.000 -0.007 0.000 0.839 157 A HN 0.776 nan 8.150 nan 0.000 0.447 158 D N 0.093 120.497 120.400 0.008 0.000 2.644 158 D HA 0.366 5.006 4.640 -0.000 0.000 0.252 158 D C 1.657 177.996 176.300 0.065 0.000 1.254 158 D CA 0.660 54.684 54.000 0.039 0.000 0.884 158 D CB -0.232 40.604 40.800 0.060 0.000 1.034 158 D HN 0.379 nan 8.370 nan 0.000 0.473 159 A N 0.162 123.002 122.820 0.034 0.000 1.942 159 A HA -0.297 4.023 4.320 -0.000 0.000 0.227 159 A C 1.990 179.638 177.584 0.106 0.000 1.445 159 A CA 1.466 53.537 52.037 0.055 0.000 0.704 159 A CB -0.646 18.369 19.000 0.024 0.000 0.841 159 A HN 0.410 nan 8.150 nan 0.000 0.495 160 L N -0.637 120.636 121.223 0.083 0.000 2.109 160 L HA -0.058 4.282 4.340 -0.000 0.000 0.207 160 L C 2.124 179.064 176.870 0.116 0.000 1.086 160 L CA 2.130 57.029 54.840 0.100 0.000 0.760 160 L CB -0.931 41.175 42.059 0.079 0.000 0.910 160 L HN 0.614 nan 8.230 nan 0.000 0.437 161 N N -1.860 116.902 118.700 0.104 0.000 2.494 161 N HA -0.212 4.528 4.740 -0.000 0.000 0.182 161 N C 1.721 177.298 175.510 0.111 0.000 1.076 161 N CA 0.568 53.672 53.050 0.091 0.000 0.908 161 N CB -0.008 38.521 38.487 0.069 0.000 0.967 161 N HN 0.404 nan 8.380 nan 0.000 0.449 162 Y N 0.322 120.625 120.300 0.004 0.000 2.177 162 Y HA 0.228 4.778 4.550 -0.000 0.000 0.291 162 Y C 2.202 178.076 175.900 -0.044 0.000 1.117 162 Y CA 1.544 59.634 58.100 -0.016 0.000 1.114 162 Y CB -0.750 37.709 38.460 -0.002 0.000 1.017 162 Y HN 0.056 nan 8.280 nan 0.000 0.505 163 A N 0.365 123.202 122.820 0.029 0.000 1.978 163 A HA -0.281 4.039 4.320 -0.000 0.000 0.220 163 A C 2.124 179.708 177.584 -0.001 0.000 1.170 163 A CA 2.105 54.056 52.037 -0.143 0.000 0.636 163 A CB -0.930 17.812 19.000 -0.429 0.000 0.810 163 A HN 0.702 nan 8.150 nan 0.000 0.448 164 Q N -0.078 119.795 119.800 0.122 0.000 2.049 164 Q HA -0.099 4.241 4.340 -0.000 0.000 0.198 164 Q C 2.186 178.208 176.000 0.037 0.000 0.971 164 Q CA 2.435 58.341 55.803 0.171 0.000 0.833 164 Q CB -0.627 28.182 28.738 0.118 0.000 0.896 164 Q HN 0.483 nan 8.270 nan 0.000 0.434 165 S N -0.308 115.357 115.700 -0.059 0.000 2.348 165 S HA -0.150 4.320 4.470 -0.000 0.000 0.221 165 S C 1.838 176.316 174.600 -0.204 0.000 1.033 165 S CA 1.333 59.468 58.200 -0.107 0.000 1.010 165 S CB -0.251 62.883 63.200 -0.110 0.000 0.891 165 S HN 0.397 nan 8.310 nan 0.000 0.442 166 K N 0.381 120.521 120.400 -0.433 0.000 2.026 166 K HA -0.051 4.269 4.320 -0.000 0.000 0.208 166 K C 2.366 178.699 176.600 -0.445 0.000 1.048 166 K CA 1.740 57.658 56.287 -0.614 0.000 0.929 166 K CB -1.295 30.475 32.500 -1.216 0.000 0.713 166 K HN 0.426 nan 8.250 nan 0.000 0.439 167 T N 1.685 116.049 114.554 -0.317 0.000 2.684 167 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 167 T C 1.799 176.560 174.700 0.101 0.000 1.036 167 T CA 1.325 63.456 62.100 0.051 0.000 1.148 167 T CB -0.152 68.920 68.868 0.339 0.000 0.863 167 T HN 0.332 nan 8.240 nan 0.000 0.436 168 E N 0.664 120.918 120.200 0.089 0.000 2.065 168 E HA -0.239 4.110 4.350 -0.000 0.000 0.201 168 E C 2.348 179.016 176.600 0.112 0.000 1.016 168 E CA 1.315 57.779 56.400 0.107 0.000 0.818 168 E CB -0.148 29.590 29.700 0.063 0.000 0.749 168 E HN 0.364 nan 8.360 nan 0.000 0.453 169 K N 0.500 120.925 120.400 0.042 0.000 2.147 169 K HA -0.191 4.129 4.320 -0.000 0.000 0.205 169 K C 1.374 178.056 176.600 0.136 0.000 1.049 169 K CA 1.652 57.980 56.287 0.068 0.000 0.936 169 K CB 0.029 32.516 32.500 -0.021 0.000 0.722 169 K HN 0.019 nan 8.250 nan 0.000 0.446 170 D N 0.106 120.569 120.400 0.105 0.000 2.224 170 D HA -0.081 4.559 4.640 -0.000 0.000 0.205 170 D C 1.779 178.166 176.300 0.146 0.000 0.965 170 D CA 0.578 54.655 54.000 0.129 0.000 0.852 170 D CB 0.231 41.127 40.800 0.161 0.000 0.947 170 D HN 0.010 nan 8.370 nan 0.000 0.494 171 V N 0.127 120.156 119.914 0.192 0.000 2.649 171 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 171 V C 1.952 178.234 176.094 0.313 0.000 1.054 171 V CA 0.861 63.309 62.300 0.246 0.000 1.073 171 V CB -0.445 31.529 31.823 0.251 0.000 0.699 171 V HN 0.180 nan 8.190 nan 0.000 0.463 172 Y N 1.537 121.936 120.300 0.164 0.000 2.163 172 Y HA -0.209 4.341 4.550 -0.000 0.000 0.288 172 Y C 2.325 178.318 175.900 0.154 0.000 1.136 172 Y CA 1.994 60.189 58.100 0.158 0.000 1.147 172 Y CB -0.174 38.341 38.460 0.091 0.000 0.987 172 Y HN 0.303 nan 8.280 nan 0.000 0.509 173 D N 0.120 120.647 120.400 0.212 0.000 2.117 173 D HA -0.188 4.452 4.640 -0.000 0.000 0.197 173 D C 2.276 178.582 176.300 0.010 0.000 0.987 173 D CA 1.448 55.521 54.000 0.120 0.000 0.829 173 D CB -0.642 40.233 40.800 0.125 0.000 0.961 173 D HN 0.477 nan 8.370 nan 0.000 0.460 174 A N 0.135 122.936 122.820 -0.031 0.000 1.883 174 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 174 A C 1.977 179.374 177.584 -0.312 0.000 1.186 174 A CA 1.154 53.072 52.037 -0.197 0.000 0.624 174 A CB -0.960 17.852 19.000 -0.314 0.000 0.822 174 A HN 0.191 nan 8.150 nan 0.000 0.444 175 F N -0.467 119.444 119.950 -0.065 0.000 2.456 175 F HA 0.001 4.528 4.527 -0.000 0.000 0.298 175 F C 2.507 178.280 175.800 -0.045 0.000 1.104 175 F CA 1.215 59.179 58.000 -0.060 0.000 1.435 175 F CB -0.153 38.762 39.000 -0.142 0.000 1.078 175 F HN 0.338 nan 8.300 nan 0.000 0.546 176 Q N 0.346 120.149 119.800 0.004 0.000 2.083 176 Q HA -0.126 4.214 4.340 -0.000 0.000 0.198 176 Q C 2.393 178.517 176.000 0.207 0.000 0.969 176 Q CA 1.326 57.162 55.803 0.054 0.000 0.838 176 Q CB -0.141 28.602 28.738 0.009 0.000 0.900 176 Q HN 0.357 nan 8.270 nan 0.000 0.436 177 A N -0.102 122.786 122.820 0.113 0.000 1.930 177 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 177 A C 1.837 179.479 177.584 0.097 0.000 1.175 177 A CA 1.229 53.330 52.037 0.107 0.000 0.627 177 A CB -0.882 18.131 19.000 0.021 0.000 0.815 177 A HN 0.630 nan 8.150 nan 0.000 0.443 178 Y N 0.675 120.950 120.300 -0.042 0.000 2.145 178 Y HA -0.181 4.369 4.550 -0.000 0.000 0.286 178 Y C 2.288 178.191 175.900 0.006 0.000 1.145 178 Y CA 2.132 60.199 58.100 -0.056 0.000 1.148 178 Y CB -0.301 38.096 38.460 -0.105 0.000 0.981 178 Y HN 0.455 nan 8.280 nan 0.000 0.507 179 E N -1.187 119.034 120.200 0.036 0.000 2.118 179 E HA -0.267 4.082 4.350 -0.000 0.000 0.195 179 E C 1.893 178.353 176.600 -0.234 0.000 0.992 179 E CA 1.679 58.020 56.400 -0.099 0.000 0.804 179 E CB -0.367 29.282 29.700 -0.086 0.000 0.741 179 E HN 0.591 nan 8.360 nan 0.000 0.458 180 Y N 0.810 121.076 120.300 -0.056 0.000 2.395 180 Y HA -0.092 4.458 4.550 -0.000 0.000 0.293 180 Y C 2.358 178.212 175.900 -0.077 0.000 1.123 180 Y CA 0.640 58.716 58.100 -0.040 0.000 1.227 180 Y CB 0.217 38.665 38.460 -0.021 0.000 1.012 180 Y HN -0.032 nan 8.280 nan 0.000 0.552 181 E N -0.173 120.008 120.200 -0.032 0.000 2.051 181 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 181 E C 2.425 178.930 176.600 -0.158 0.000 0.991 181 E CA 1.333 57.667 56.400 -0.110 0.000 0.799 181 E CB -0.570 29.003 29.700 -0.211 0.000 0.748 181 E HN 0.264 nan 8.360 nan 0.000 0.449 182 V N 2.055 121.795 119.914 -0.291 0.000 2.343 182 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 182 V C 2.281 178.355 176.094 -0.034 0.000 1.051 182 V CA 1.997 64.166 62.300 -0.218 0.000 1.036 182 V CB -0.691 30.951 31.823 -0.301 0.000 0.654 182 V HN 0.262 nan 8.190 nan 0.000 0.451 183 N N 0.003 118.691 118.700 -0.020 0.000 2.149 183 N HA -0.174 4.565 4.740 -0.000 0.000 0.188 183 N C 1.699 177.282 175.510 0.122 0.000 1.019 183 N CA 2.150 55.256 53.050 0.093 0.000 0.857 183 N CB -0.209 38.275 38.487 -0.005 0.000 0.997 183 N HN 0.498 nan 8.380 nan 0.000 0.426 184 T N 0.335 114.926 114.554 0.061 0.000 2.770 184 T HA -0.045 4.305 4.350 -0.000 0.000 0.263 184 T C 1.670 176.382 174.700 0.021 0.000 1.039 184 T CA 0.571 62.695 62.100 0.041 0.000 1.142 184 T CB -0.298 68.588 68.868 0.030 0.000 0.868 184 T HN 0.069 nan 8.240 nan 0.000 0.435 185 L N 0.853 122.087 121.223 0.018 0.000 2.042 185 L HA 0.018 4.357 4.340 -0.000 0.000 0.210 185 L C 1.992 178.880 176.870 0.030 0.000 1.076 185 L CA 1.466 56.309 54.840 0.005 0.000 0.749 185 L CB -1.094 40.955 42.059 -0.017 0.000 0.893 185 L HN 0.251 nan 8.230 nan 0.000 0.432 186 F N -1.347 118.542 119.950 -0.101 0.000 2.333 186 F HA -0.125 4.402 4.527 -0.000 0.000 0.300 186 F C 2.429 178.189 175.800 -0.068 0.000 1.083 186 F CA 1.326 59.262 58.000 -0.106 0.000 1.395 186 F CB -0.230 38.748 39.000 -0.037 0.000 1.056 186 F HN 0.098 nan 8.300 nan 0.000 0.529 187 S N -1.461 114.119 115.700 -0.200 0.000 2.559 187 S HA 0.101 4.571 4.470 -0.000 0.000 0.226 187 S C 1.421 175.939 174.600 -0.136 0.000 1.000 187 S CA 0.489 58.535 58.200 -0.257 0.000 0.948 187 S CB -0.417 62.677 63.200 -0.177 0.000 0.870 187 S HN 0.389 nan 8.310 nan 0.000 0.497 188 S N 0.374 116.024 115.700 -0.084 0.000 2.578 188 S HA 0.414 4.884 4.470 -0.000 0.000 0.231 188 S C 0.132 174.710 174.600 -0.037 0.000 0.994 188 S CA -0.599 57.575 58.200 -0.043 0.000 0.956 188 S CB 0.062 63.252 63.200 -0.018 0.000 0.870 188 S HN 0.287 nan 8.310 nan 0.000 0.494 193 P HA 0.133 nan 4.420 nan 0.000 0.247 193 P C -1.136 175.481 177.300 -1.138 0.000 1.147 193 P CA 0.504 63.171 63.100 -0.722 0.000 0.964 193 P CB -0.945 30.566 31.700 -0.315 0.000 0.944 194 F N 3.835 123.413 119.950 -0.620 0.000 2.404 194 F HA 0.403 4.930 4.527 -0.000 0.000 0.358 194 F C 0.836 176.386 175.800 -0.416 0.000 1.120 194 F CA -1.313 56.159 58.000 -0.880 0.000 1.144 194 F CB 1.006 39.791 39.000 -0.358 0.000 1.133 194 F HN 0.096 nan 8.300 nan 0.000 0.495 195 V N 2.766 122.568 119.914 -0.187 0.000 2.735 195 V HA 0.774 4.894 4.120 -0.000 0.000 0.310 195 V C -0.724 175.457 176.094 0.145 0.000 1.061 195 V CA -0.059 62.270 62.300 0.047 0.000 0.913 195 V CB 2.272 34.174 31.823 0.131 0.000 1.005 195 V HN 0.803 nan 8.190 nan 0.000 0.428 196 T N 7.701 122.322 114.554 0.111 0.000 2.861 196 T HA 0.625 4.975 4.350 -0.000 0.000 0.287 196 T C -0.903 173.864 174.700 0.112 0.000 1.003 196 T CA -0.292 61.849 62.100 0.067 0.000 0.977 196 T CB 1.219 70.075 68.868 -0.019 0.000 0.996 196 T HN 0.549 nan 8.240 nan 0.000 0.448 197 I N 4.190 124.823 120.570 0.106 0.000 2.389 197 I HA 0.382 4.551 4.170 -0.000 0.000 0.288 197 I C 0.770 176.925 176.117 0.064 0.000 0.999 197 I CA -0.594 60.801 61.300 0.158 0.000 1.129 197 I CB 1.317 39.437 38.000 0.200 0.000 1.288 197 I HN 0.743 nan 8.210 nan 0.000 0.444 198 T N 4.059 118.630 114.554 0.028 0.000 2.912 198 T HA 0.893 5.243 4.350 -0.000 0.000 0.288 198 T C -0.566 174.137 174.700 0.004 0.000 1.030 198 T CA -0.464 61.503 62.100 -0.221 0.000 1.020 198 T CB 2.242 70.911 68.868 -0.331 0.000 1.056 198 T HN 0.409 nan 8.240 nan 0.000 0.480 199 F N -2.026 117.877 119.950 -0.078 0.000 3.052 199 F HA 0.826 5.353 4.527 -0.000 0.000 0.323 199 F C 0.738 176.604 175.800 0.109 0.000 1.178 199 F CA -0.556 57.477 58.000 0.054 0.000 0.892 199 F CB 0.672 39.656 39.000 -0.027 0.000 1.416 199 F HN 1.076 nan 8.300 nan 0.000 0.488 200 G N -0.502 108.539 108.800 0.402 0.000 2.380 200 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.197 200 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.197 200 G C 0.834 175.879 174.900 0.242 0.000 1.001 200 G CA 0.632 45.912 45.100 0.299 0.000 0.668 200 G HN 1.537 nan 8.290 nan 0.000 0.483 201 T N -0.081 114.612 114.554 0.231 0.000 3.088 201 T HA 0.449 4.799 4.350 -0.000 0.000 0.259 201 T C 1.411 176.160 174.700 0.083 0.000 1.122 201 T CA 1.344 63.507 62.100 0.105 0.000 1.095 201 T CB 0.270 69.133 68.868 -0.009 0.000 0.930 201 T HN 1.359 nan 8.240 nan 0.000 0.508 202 G N 0.905 109.767 108.800 0.103 0.000 2.370 202 G HA2 0.432 4.392 3.960 -0.000 0.000 0.272 202 G HA3 0.432 4.392 3.960 -0.000 0.000 0.272 202 G C 0.804 175.740 174.900 0.059 0.000 1.208 202 G CA 0.058 45.195 45.100 0.062 0.000 0.856 202 G HN 0.377 nan 8.290 nan 0.000 0.500 203 T N -0.202 114.380 114.554 0.045 0.000 3.018 203 T HA 0.097 4.446 4.350 -0.000 0.000 0.246 203 T C 0.777 175.513 174.700 0.060 0.000 1.026 203 T CA 0.113 62.249 62.100 0.060 0.000 1.081 203 T CB -0.070 68.837 68.868 0.064 0.000 0.970 203 T HN 0.442 nan 8.240 nan 0.000 0.475 204 D N 1.198 121.616 120.400 0.030 0.000 2.383 204 D HA -0.070 4.570 4.640 -0.000 0.000 0.233 204 D C 1.255 177.567 176.300 0.019 0.000 1.233 204 D CA 0.389 54.403 54.000 0.023 0.000 0.881 204 D CB 0.359 41.106 40.800 -0.089 0.000 1.212 204 D HN 0.457 nan 8.370 nan 0.000 0.467 205 W N 1.469 122.758 121.300 -0.019 0.000 2.436 205 W HA -0.134 4.526 4.660 -0.000 0.000 0.284 205 W C 1.420 177.922 176.519 -0.028 0.000 1.225 205 W CA 1.471 58.799 57.345 -0.028 0.000 1.271 205 W CB -1.883 27.542 29.460 -0.058 0.000 1.114 205 W HN 0.415 nan 8.180 nan 0.000 0.559 206 T N -0.131 113.754 114.554 -1.115 0.000 2.737 206 T HA -0.215 4.135 4.350 -0.000 0.000 0.265 206 T C 1.522 175.999 174.700 -0.370 0.000 1.038 206 T CA 1.841 63.364 62.100 -0.962 0.000 1.144 206 T CB -0.807 67.457 68.868 -1.008 0.000 0.866 206 T HN 0.260 nan 8.240 nan 0.000 0.434 207 E N 1.218 121.260 120.200 -0.263 0.000 2.077 207 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 207 E C 2.633 179.184 176.600 -0.082 0.000 0.989 207 E CA 0.941 57.267 56.400 -0.124 0.000 0.800 207 E CB -0.184 29.476 29.700 -0.067 0.000 0.746 207 E HN 0.491 nan 8.360 nan 0.000 0.452 208 R N 0.204 120.676 120.500 -0.047 0.000 2.092 208 R HA -0.055 4.285 4.340 -0.000 0.000 0.231 208 R C 2.354 178.638 176.300 -0.027 0.000 1.119 208 R CA 1.177 57.276 56.100 -0.001 0.000 0.970 208 R CB -0.204 30.133 30.300 0.061 0.000 0.864 208 R HN 0.202 nan 8.270 nan 0.000 0.440 209 M N 0.478 120.063 119.600 -0.026 0.000 2.132 209 M HA -0.151 4.329 4.480 -0.000 0.000 0.263 209 M C 1.989 178.243 176.300 -0.076 0.000 1.065 209 M CA 1.648 56.947 55.300 -0.002 0.000 1.122 209 M CB 0.010 32.639 32.600 0.049 0.000 1.365 209 M HN 0.094 nan 8.290 nan 0.000 0.411 210 I N 0.198 120.687 120.570 -0.136 0.000 2.151 210 I HA -0.389 3.781 4.170 -0.000 0.000 0.243 210 I C 2.389 178.187 176.117 -0.533 0.000 1.080 210 I CA 1.669 62.790 61.300 -0.298 0.000 1.339 210 I CB -0.477 37.386 38.000 -0.229 0.000 1.039 210 I HN 0.421 nan 8.210 nan 0.000 0.409 211 Q N 0.500 120.054 119.800 -0.411 0.000 2.061 211 Q HA -0.236 4.104 4.340 -0.000 0.000 0.204 211 Q C 2.226 177.965 176.000 -0.435 0.000 0.984 211 Q CA 1.473 56.941 55.803 -0.558 0.000 0.846 211 Q CB -0.164 28.414 28.738 -0.267 0.000 0.902 211 Q HN 0.506 nan 8.270 nan 0.000 0.421 212 K N 0.336 120.607 120.400 -0.214 0.000 2.097 212 K HA -0.052 4.268 4.320 -0.000 0.000 0.205 212 K C 2.163 178.711 176.600 -0.087 0.000 1.050 212 K CA 0.965 57.191 56.287 -0.101 0.000 0.938 212 K CB -0.145 32.348 32.500 -0.012 0.000 0.718 212 K HN 0.127 nan 8.250 nan 0.000 0.442 213 A N 1.800 124.545 122.820 -0.125 0.000 1.877 213 A HA -0.157 4.162 4.320 -0.000 0.000 0.216 213 A C 2.160 179.590 177.584 -0.256 0.000 1.186 213 A CA 1.330 53.327 52.037 -0.068 0.000 0.620 213 A CB -0.587 18.394 19.000 -0.032 0.000 0.822 213 A HN 0.155 nan 8.150 nan 0.000 0.443 214 I N -0.439 119.802 120.570 -0.548 0.000 2.202 214 I HA -0.246 3.924 4.170 -0.000 0.000 0.242 214 I C 2.384 178.348 176.117 -0.254 0.000 1.091 214 I CA 1.129 62.118 61.300 -0.518 0.000 1.368 214 I CB -0.337 37.167 38.000 -0.826 0.000 1.058 214 I HN 0.278 nan 8.210 nan 0.000 0.410 215 L N 0.332 121.410 121.223 -0.241 0.000 2.083 215 L HA -0.223 4.116 4.340 -0.000 0.000 0.209 215 L C 2.514 179.397 176.870 0.021 0.000 1.083 215 L CA 1.524 56.328 54.840 -0.059 0.000 0.752 215 L CB -0.522 41.520 42.059 -0.029 0.000 0.899 215 L HN 0.175 nan 8.230 nan 0.000 0.433 216 K N -0.069 120.360 120.400 0.048 0.000 2.103 216 K HA -0.118 4.202 4.320 -0.000 0.000 0.204 216 K C 1.854 178.569 176.600 0.191 0.000 1.052 216 K CA 1.398 57.779 56.287 0.156 0.000 0.945 216 K CB -0.109 32.544 32.500 0.255 0.000 0.722 216 K HN 0.251 nan 8.250 nan 0.000 0.443 217 N N 0.350 119.100 118.700 0.084 0.000 2.166 217 N HA -0.163 4.577 4.740 -0.000 0.000 0.186 217 N C 1.740 177.283 175.510 0.055 0.000 1.019 217 N CA 0.917 53.971 53.050 0.006 0.000 0.856 217 N CB 0.052 38.441 38.487 -0.164 0.000 0.993 217 N HN -0.013 nan 8.380 nan 0.000 0.426 218 R N 1.114 121.642 120.500 0.046 0.000 2.073 218 R HA 0.068 4.408 4.340 -0.000 0.000 0.234 218 R C 1.772 178.119 176.300 0.078 0.000 1.134 218 R CA 1.172 57.311 56.100 0.065 0.000 0.952 218 R CB -0.659 29.692 30.300 0.085 0.000 0.850 218 R HN 0.259 nan 8.270 nan 0.000 0.433 219 I N 0.576 121.197 120.570 0.086 0.000 2.208 219 I HA -0.318 3.852 4.170 -0.000 0.000 0.245 219 I C 2.465 178.633 176.117 0.085 0.000 1.097 219 I CA 1.546 62.895 61.300 0.082 0.000 1.363 219 I CB -0.323 37.725 38.000 0.080 0.000 1.051 219 I HN 0.247 nan 8.210 nan 0.000 0.413 220 K N 0.884 121.349 120.400 0.108 0.000 2.097 220 K HA -0.034 4.286 4.320 -0.000 0.000 0.206 220 K C 0.980 177.636 176.600 0.093 0.000 1.049 220 K CA 1.076 57.431 56.287 0.113 0.000 0.933 220 K CB -0.096 32.506 32.500 0.169 0.000 0.717 220 K HN 0.479 nan 8.250 nan 0.000 0.442 221 G N 0.060 108.909 108.800 0.082 0.000 2.728 221 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.294 221 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.294 221 G C -1.475 173.463 174.900 0.064 0.000 1.342 221 G CA -0.589 44.548 45.100 0.061 0.000 0.866 221 G HN 0.125 nan 8.290 nan 0.000 0.534 222 L N 1.911 123.158 121.223 0.040 0.000 2.296 222 L HA 0.725 5.065 4.340 -0.000 0.000 0.286 222 L C 1.263 178.212 176.870 0.133 0.000 1.023 222 L CA 1.539 56.402 54.840 0.039 0.000 0.812 222 L CB 0.694 42.696 42.059 -0.095 0.000 1.223 222 L HN 2.648 nan 8.230 nan 0.000 0.421 223 G N 3.329 112.289 108.800 0.268 0.000 2.796 223 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.226 223 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.226 223 G C 0.873 175.813 174.900 0.067 0.000 1.381 223 G CA 0.330 45.537 45.100 0.178 0.000 0.867 223 G HN 0.775 nan 8.290 nan 0.000 0.552 224 R N -0.348 120.159 120.500 0.011 0.000 2.133 224 R HA -0.169 4.171 4.340 -0.000 0.000 0.245 224 R C 1.557 177.790 176.300 -0.112 0.000 1.137 224 R CA 2.444 58.516 56.100 -0.048 0.000 0.947 224 R CB -0.367 29.889 30.300 -0.073 0.000 0.865 224 R HN 0.610 nan 8.270 nan 0.000 0.437 225 D N -0.637 119.642 120.400 -0.201 0.000 2.323 225 D HA 0.080 4.720 4.640 -0.000 0.000 0.239 225 D C 0.434 176.650 176.300 -0.139 0.000 1.129 225 D CA 0.837 54.618 54.000 -0.366 0.000 0.865 225 D CB 0.022 40.252 40.800 -0.950 0.000 0.913 225 D HN 0.502 nan 8.370 nan 0.000 0.517 226 G N 2.595 111.378 108.800 -0.028 0.000 2.396 226 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.288 226 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.288 226 G C 0.599 175.542 174.900 0.071 0.000 0.926 226 G CA 0.575 45.698 45.100 0.038 0.000 1.211 226 G HN 0.576 nan 8.290 nan 0.000 0.496 227 I N -2.358 118.268 120.570 0.093 0.000 3.079 227 I HA 0.589 4.759 4.170 -0.000 0.000 0.295 227 I C 0.520 176.682 176.117 0.075 0.000 1.094 227 I CA -0.619 60.759 61.300 0.131 0.000 1.295 227 I CB 0.957 39.061 38.000 0.174 0.000 1.443 227 I HN 0.021 nan 8.210 nan 0.000 0.607 228 T N 4.723 119.313 114.554 0.060 0.000 2.729 228 T HA 0.340 4.690 4.350 -0.000 0.000 0.296 228 T C -2.142 172.563 174.700 0.008 0.000 0.928 228 T CA -0.764 61.352 62.100 0.026 0.000 1.045 228 T CB 0.351 69.220 68.868 0.001 0.000 0.902 228 T HN 0.545 nan 8.240 nan 0.000 0.500 229 P HA 0.325 nan 4.420 nan 0.000 0.275 229 P C 0.308 177.566 177.300 -0.071 0.000 1.228 229 P CA -0.427 62.657 63.100 -0.026 0.000 0.786 229 P CB 1.201 32.882 31.700 -0.033 0.000 0.927 230 I N 0.066 120.512 120.570 -0.206 0.000 3.427 230 I HA 0.101 4.271 4.170 -0.000 0.000 0.288 230 I C 0.232 175.824 176.117 -0.875 0.000 1.249 230 I CA 0.792 61.802 61.300 -0.484 0.000 1.421 230 I CB -0.103 37.533 38.000 -0.606 0.000 1.086 230 I HN 0.166 nan 8.210 nan 0.000 0.448 231 F N -0.207 119.645 119.950 -0.164 0.000 2.631 231 F HA 0.456 4.983 4.527 -0.000 0.000 0.308 231 F C -2.679 173.061 175.800 -0.100 0.000 1.097 231 F CA -2.749 55.156 58.000 -0.158 0.000 0.952 231 F CB 0.799 39.623 39.000 -0.294 0.000 1.307 231 F HN -0.368 nan 8.300 nan 0.000 0.450 232 P HA 0.200 nan 4.420 nan 0.000 0.275 232 P C -0.895 176.414 177.300 0.014 0.000 1.228 232 P CA -0.564 62.668 63.100 0.221 0.000 0.786 232 P CB 0.654 32.520 31.700 0.277 0.000 0.927 233 K N 1.919 122.276 120.400 -0.072 0.000 2.355 233 K HA 0.256 4.576 4.320 -0.000 0.000 0.270 233 K C -0.209 176.126 176.600 -0.441 0.000 1.003 233 K CA -0.112 55.743 56.287 -0.721 0.000 0.957 233 K CB 0.185 32.411 32.500 -0.457 0.000 0.939 233 K HN 0.436 nan 8.250 nan 0.000 0.482 234 L N 2.921 123.816 121.223 -0.547 0.000 2.313 234 L HA 0.466 4.806 4.340 -0.000 0.000 0.283 234 L C -0.674 176.089 176.870 -0.178 0.000 1.013 234 L CA -1.109 53.660 54.840 -0.119 0.000 0.816 234 L CB 1.709 43.855 42.059 0.145 0.000 1.236 234 L HN 0.238 nan 8.230 nan 0.000 0.419 235 V N 3.910 123.620 119.914 -0.340 0.000 2.588 235 V HA 0.463 4.583 4.120 -0.000 0.000 0.304 235 V C -0.272 175.278 176.094 -0.906 0.000 1.042 235 V CA -0.419 61.607 62.300 -0.458 0.000 0.877 235 V CB 2.207 33.752 31.823 -0.465 0.000 0.996 235 V HN 0.777 nan 8.190 nan 0.000 0.425 236 M N 4.511 123.638 119.600 -0.787 0.000 2.227 236 M HA 0.614 5.093 4.480 -0.000 0.000 0.335 236 M C -1.509 174.450 176.300 -0.569 0.000 1.053 236 M CA -0.536 54.250 55.300 -0.858 0.000 0.973 236 M CB 1.304 33.608 32.600 -0.494 0.000 1.623 236 M HN 0.533 nan 8.290 nan 0.000 0.434 237 F N 4.337 124.117 119.950 -0.283 0.000 2.456 237 F HA 0.365 4.892 4.527 -0.000 0.000 0.358 237 F C 0.336 176.077 175.800 -0.098 0.000 1.095 237 F CA -0.375 57.530 58.000 -0.159 0.000 1.216 237 F CB 0.677 39.609 39.000 -0.114 0.000 1.125 237 F HN 0.338 nan 8.300 nan 0.000 0.549 238 V N 0.928 120.905 119.914 0.105 0.000 2.555 238 V HA 0.764 4.884 4.120 -0.000 0.000 0.302 238 V C -0.811 175.315 176.094 0.052 0.000 1.038 238 V CA -0.590 61.749 62.300 0.064 0.000 0.887 238 V CB 1.661 33.501 31.823 0.028 0.000 0.991 238 V HN 0.857 nan 8.190 nan 0.000 0.434 239 E N 2.036 122.260 120.200 0.041 0.000 2.352 239 E HA 0.323 4.673 4.350 -0.000 0.000 0.280 239 E C -1.084 175.526 176.600 0.017 0.000 0.930 239 E CA -0.671 55.741 56.400 0.021 0.000 0.765 239 E CB 2.415 32.131 29.700 0.026 0.000 1.219 239 E HN 0.970 nan 8.360 nan 0.000 0.434 240 E N 1.524 121.737 120.200 0.020 0.000 2.376 240 E HA 0.201 4.551 4.350 -0.000 0.000 0.266 240 E C 0.510 177.178 176.600 0.114 0.000 1.009 240 E CA 1.377 57.832 56.400 0.091 0.000 0.902 240 E CB 0.455 30.277 29.700 0.202 0.000 0.972 240 E HN 0.802 nan 8.360 nan 0.000 0.439 241 G N 2.483 111.370 108.800 0.146 0.000 2.234 241 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.235 241 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.235 241 G C 0.647 175.607 174.900 0.100 0.000 0.997 241 G CA 0.235 45.403 45.100 0.114 0.000 0.623 241 G HN 0.477 nan 8.290 nan 0.000 0.514 242 V N 0.420 120.393 119.914 0.099 0.000 2.950 242 V HA 0.266 4.386 4.120 -0.000 0.000 0.231 242 V C 1.367 177.538 176.094 0.128 0.000 1.205 242 V CA 1.897 64.258 62.300 0.100 0.000 1.239 242 V CB 0.203 32.076 31.823 0.084 0.000 1.050 242 V HN 0.804 nan 8.190 nan 0.000 0.498 243 N N -1.161 117.614 118.700 0.126 0.000 2.228 243 N HA 0.076 4.816 4.740 -0.000 0.000 0.237 243 N C 0.868 176.471 175.510 0.155 0.000 1.382 243 N CA -0.168 52.980 53.050 0.164 0.000 0.787 243 N CB 0.396 38.968 38.487 0.141 0.000 1.320 243 N HN 0.257 nan 8.380 nan 0.000 0.507 244 L N 0.324 121.583 121.223 0.059 0.000 2.130 244 L HA 0.413 4.753 4.340 -0.000 0.000 0.200 244 L C -0.180 176.630 176.870 -0.099 0.000 1.075 244 L CA 1.269 56.032 54.840 -0.129 0.000 0.768 244 L CB -0.351 41.439 42.059 -0.448 0.000 0.933 244 L HN 0.139 nan 8.230 nan 0.000 0.451 245 Y N 0.910 121.356 120.300 0.242 0.000 2.352 245 Y HA 0.214 4.764 4.550 -0.000 0.000 0.326 245 Y C 1.535 177.356 175.900 -0.132 0.000 1.166 245 Y CA -1.096 57.075 58.100 0.117 0.000 1.182 245 Y CB 0.719 39.204 38.460 0.041 0.000 1.216 245 Y HN 0.023 nan 8.280 nan 0.000 0.474 246 K N 0.246 120.403 120.400 -0.405 0.000 2.334 246 K HA -0.256 4.064 4.320 -0.000 0.000 0.204 246 K C -0.179 176.065 176.600 -0.594 0.000 1.043 246 K CA 1.738 57.317 56.287 -1.181 0.000 0.933 246 K CB -0.153 32.013 32.500 -0.556 0.000 0.734 246 K HN 0.710 nan 8.250 nan 0.000 0.479 247 D N 0.946 121.237 120.400 -0.182 0.000 2.431 247 D HA 0.087 4.727 4.640 -0.000 0.000 0.213 247 D C -0.229 176.105 176.300 0.057 0.000 1.130 247 D CA -0.104 53.870 54.000 -0.043 0.000 0.834 247 D CB 0.379 41.165 40.800 -0.023 0.000 0.985 247 D HN 0.236 nan 8.370 nan 0.000 0.504 248 D N 1.232 121.708 120.400 0.127 0.000 2.344 248 D HA 0.057 4.697 4.640 -0.000 0.000 0.244 248 D C -1.374 175.019 176.300 0.155 0.000 1.134 248 D CA -1.388 52.704 54.000 0.154 0.000 0.930 248 D CB 1.549 42.462 40.800 0.188 0.000 1.175 248 D HN -0.143 nan 8.370 nan 0.000 0.437 249 P HA -0.147 nan 4.420 nan 0.000 0.216 249 P C 0.509 177.895 177.300 0.143 0.000 1.154 249 P CA 1.285 64.457 63.100 0.120 0.000 0.865 249 P CB 0.238 31.998 31.700 0.101 0.000 0.789 250 N N -2.214 116.581 118.700 0.158 0.000 2.320 250 N HA 0.026 4.766 4.740 -0.000 0.000 0.237 250 N C 0.884 176.502 175.510 0.181 0.000 1.129 250 N CA -0.188 52.955 53.050 0.155 0.000 0.854 250 N CB -0.656 37.911 38.487 0.133 0.000 1.083 250 N HN 0.183 nan 8.380 nan 0.000 0.504 251 Y N 2.277 122.632 120.300 0.092 0.000 2.315 251 Y HA -0.227 4.323 4.550 -0.000 0.000 0.288 251 Y C 1.650 177.604 175.900 0.090 0.000 1.154 251 Y CA 1.573 59.730 58.100 0.094 0.000 1.229 251 Y CB 0.175 38.689 38.460 0.090 0.000 0.980 251 Y HN 0.149 nan 8.280 nan 0.000 0.540 252 D N -0.412 120.077 120.400 0.148 0.000 2.178 252 D HA -0.214 4.426 4.640 -0.000 0.000 0.202 252 D C 2.036 178.345 176.300 0.015 0.000 0.974 252 D CA 1.638 55.684 54.000 0.076 0.000 0.841 252 D CB -0.943 39.919 40.800 0.103 0.000 0.953 252 D HN 0.476 nan 8.370 nan 0.000 0.478 253 I N 0.519 121.114 120.570 0.042 0.000 2.252 253 I HA -0.195 3.974 4.170 -0.000 0.000 0.245 253 I C 2.657 178.805 176.117 0.051 0.000 1.102 253 I CA 0.945 62.280 61.300 0.058 0.000 1.385 253 I CB -0.288 37.770 38.000 0.096 0.000 1.064 253 I HN -0.046 nan 8.210 nan 0.000 0.414 254 K N 0.629 121.028 120.400 -0.002 0.000 2.160 254 K HA -0.248 4.072 4.320 -0.000 0.000 0.206 254 K C 2.179 178.719 176.600 -0.099 0.000 1.047 254 K CA 1.406 57.696 56.287 0.005 0.000 0.930 254 K CB 0.054 32.480 32.500 -0.124 0.000 0.720 254 K HN 0.265 nan 8.250 nan 0.000 0.450 255 Q N 0.441 120.111 119.800 -0.218 0.000 2.119 255 Q HA -0.134 4.206 4.340 -0.000 0.000 0.201 255 Q C 2.132 178.089 176.000 -0.072 0.000 0.972 255 Q CA 0.896 56.590 55.803 -0.183 0.000 0.847 255 Q CB -0.246 28.404 28.738 -0.147 0.000 0.903 255 Q HN 0.292 nan 8.270 nan 0.000 0.433 256 L N 0.706 121.921 121.223 -0.013 0.000 2.056 256 L HA -0.028 4.312 4.340 -0.000 0.000 0.207 256 L C 2.153 179.065 176.870 0.070 0.000 1.078 256 L CA 1.922 56.778 54.840 0.028 0.000 0.749 256 L CB -0.958 41.125 42.059 0.041 0.000 0.901 256 L HN 0.115 nan 8.230 nan 0.000 0.433 257 A N -0.490 122.410 122.820 0.133 0.000 1.892 257 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 257 A C 2.297 180.028 177.584 0.246 0.000 1.188 257 A CA 2.224 54.430 52.037 0.282 0.000 0.631 257 A CB -0.987 18.274 19.000 0.435 0.000 0.822 257 A HN 0.485 nan 8.150 nan 0.000 0.447 258 L N -0.932 120.274 121.223 -0.028 0.000 2.046 258 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 258 L C 2.709 179.508 176.870 -0.119 0.000 1.077 258 L CA 1.855 56.501 54.840 -0.324 0.000 0.747 258 L CB -0.428 41.328 42.059 -0.505 0.000 0.896 258 L HN 0.586 nan 8.230 nan 0.000 0.432 259 E N -0.596 119.571 120.200 -0.055 0.000 2.085 259 E HA -0.301 4.049 4.350 -0.000 0.000 0.194 259 E C 2.369 178.986 176.600 0.028 0.000 0.994 259 E CA 1.710 58.100 56.400 -0.017 0.000 0.801 259 E CB -0.106 29.594 29.700 -0.000 0.000 0.743 259 E HN 0.574 nan 8.360 nan 0.000 0.453 260 C N 0.299 119.642 119.300 0.072 0.000 2.413 260 C HA -0.094 4.366 4.460 -0.000 0.000 0.277 260 C C 2.942 178.004 174.990 0.119 0.000 1.228 260 C CA 1.451 60.533 59.018 0.108 0.000 1.731 260 C CB -1.161 26.672 27.740 0.154 0.000 2.042 260 C HN 0.605 nan 8.230 nan 0.000 0.468 261 A N 0.664 123.587 122.820 0.171 0.000 1.908 261 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 261 A C 2.318 179.945 177.584 0.072 0.000 1.181 261 A CA 2.601 54.745 52.037 0.179 0.000 0.627 261 A CB -1.090 18.131 19.000 0.369 0.000 0.818 261 A HN 0.913 nan 8.150 nan 0.000 0.445 262 S N -0.523 115.195 115.700 0.029 0.000 2.442 262 S HA -0.093 4.377 4.470 -0.000 0.000 0.236 262 S C 1.566 176.165 174.600 -0.001 0.000 1.007 262 S CA 1.449 59.646 58.200 -0.004 0.000 0.965 262 S CB -0.172 63.011 63.200 -0.028 0.000 0.773 262 S HN 0.665 nan 8.310 nan 0.000 0.504 263 K N 0.125 120.534 120.400 0.016 0.000 2.370 263 K HA 0.280 4.600 4.320 -0.000 0.000 0.194 263 K C 1.193 177.801 176.600 0.013 0.000 1.070 263 K CA 0.042 56.339 56.287 0.016 0.000 0.998 263 K CB 0.393 32.911 32.500 0.031 0.000 0.911 263 K HN 0.200 nan 8.250 nan 0.000 0.533 264 R N -0.358 120.151 120.500 0.016 0.000 2.549 264 R HA 0.274 4.614 4.340 -0.000 0.000 0.399 264 R C 0.368 176.629 176.300 -0.065 0.000 0.964 264 R CA 0.025 56.127 56.100 0.003 0.000 1.173 264 R CB 0.527 30.861 30.300 0.057 0.000 1.535 264 R HN 0.029 nan 8.270 nan 0.000 0.551 265 M N -0.472 119.074 119.600 -0.090 0.000 2.825 265 M HA -0.319 4.161 4.480 -0.000 0.000 0.154 265 M C -0.755 175.449 176.300 -0.159 0.000 0.687 265 M CA 1.760 56.939 55.300 -0.203 0.000 0.590 265 M CB -1.050 31.299 32.600 -0.418 0.000 2.159 265 M HN 0.159 nan 8.290 nan 0.000 0.262 266 Y N 1.660 121.981 120.300 0.036 0.000 2.300 266 Y HA 0.498 5.048 4.550 -0.000 0.000 0.328 266 Y C -1.896 174.080 175.900 0.126 0.000 1.270 266 Y CA -2.169 55.968 58.100 0.062 0.000 1.352 266 Y CB -0.351 38.138 38.460 0.048 0.000 1.286 266 Y HN 0.158 nan 8.280 nan 0.000 0.536 267 P HA 0.102 nan 4.420 nan 0.000 0.276 267 P C -0.902 176.519 177.300 0.202 0.000 1.261 267 P CA -0.315 62.960 63.100 0.292 0.000 0.800 267 P CB 1.317 33.105 31.700 0.147 0.000 1.066 268 D N -0.162 120.340 120.400 0.170 0.000 2.466 268 D HA 0.504 5.144 4.640 -0.000 0.000 0.262 268 D C 0.351 176.575 176.300 -0.128 0.000 1.177 268 D CA -0.136 53.900 54.000 0.060 0.000 1.035 268 D CB 0.713 41.653 40.800 0.232 0.000 1.105 268 D HN 0.356 nan 8.370 nan 0.000 0.551 269 I N -2.902 117.579 120.570 -0.148 0.000 2.934 269 I HA 0.591 4.761 4.170 -0.000 0.000 0.306 269 I C -1.113 175.000 176.117 -0.007 0.000 1.110 269 I CA -0.969 60.176 61.300 -0.258 0.000 1.019 269 I CB 2.237 39.895 38.000 -0.571 0.000 1.227 269 I HN 0.129 nan 8.210 nan 0.000 0.434 270 I N 2.596 123.106 120.570 -0.099 0.000 2.498 270 I HA 0.224 4.394 4.170 -0.000 0.000 0.290 270 I C 0.086 176.249 176.117 0.077 0.000 1.032 270 I CA -0.598 60.718 61.300 0.026 0.000 1.073 270 I CB 2.258 40.232 38.000 -0.043 0.000 1.251 270 I HN 0.742 nan 8.210 nan 0.000 0.426 271 S N 5.542 121.284 115.700 0.069 0.000 2.423 271 S HA 0.264 4.733 4.470 -0.000 0.000 0.302 271 S C 1.259 175.888 174.600 0.048 0.000 1.143 271 S CA -0.055 58.169 58.200 0.039 0.000 1.080 271 S CB 0.954 64.157 63.200 0.005 0.000 1.081 271 S HN 0.761 nan 8.310 nan 0.000 0.522 272 A N 6.104 128.965 122.820 0.070 0.000 1.958 272 A HA -0.165 4.155 4.320 -0.000 0.000 0.221 272 A C 2.265 179.832 177.584 -0.028 0.000 1.178 272 A CA 1.744 53.784 52.037 0.005 0.000 0.642 272 A CB -0.615 18.363 19.000 -0.036 0.000 0.816 272 A HN 0.819 nan 8.150 nan 0.000 0.453 273 K N -0.355 120.041 120.400 -0.008 0.000 1.985 273 K HA -0.182 4.138 4.320 -0.000 0.000 0.210 273 K C 1.675 178.281 176.600 0.010 0.000 1.047 273 K CA 1.749 58.035 56.287 -0.002 0.000 0.932 273 K CB -0.380 32.123 32.500 0.005 0.000 0.716 273 K HN 0.489 nan 8.250 nan 0.000 0.439 274 N N 1.525 120.237 118.700 0.020 0.000 2.188 274 N HA -0.172 4.568 4.740 -0.000 0.000 0.184 274 N C 1.649 177.124 175.510 -0.057 0.000 1.018 274 N CA 0.697 53.774 53.050 0.045 0.000 0.858 274 N CB -0.704 37.815 38.487 0.053 0.000 0.989 274 N HN 0.365 nan 8.380 nan 0.000 0.426 275 N N 1.760 120.406 118.700 -0.090 0.000 2.061 275 N HA -0.170 4.570 4.740 -0.000 0.000 0.193 275 N C 1.256 176.695 175.510 -0.117 0.000 1.030 275 N CA 1.311 54.269 53.050 -0.153 0.000 0.856 275 N CB 0.054 38.472 38.487 -0.115 0.000 1.023 275 N HN 0.256 nan 8.380 nan 0.000 0.424 276 K N 0.266 120.622 120.400 -0.075 0.000 2.097 276 K HA -0.019 4.301 4.320 -0.000 0.000 0.206 276 K C 2.151 178.740 176.600 -0.019 0.000 1.049 276 K CA 1.128 57.383 56.287 -0.054 0.000 0.933 276 K CB -0.124 32.343 32.500 -0.054 0.000 0.717 276 K HN 0.234 nan 8.250 nan 0.000 0.442 277 A N 1.239 124.065 122.820 0.009 0.000 1.898 277 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 277 A C 2.106 179.725 177.584 0.058 0.000 1.181 277 A CA 1.286 53.356 52.037 0.055 0.000 0.620 277 A CB -0.492 18.582 19.000 0.123 0.000 0.819 277 A HN 0.143 nan 8.150 nan 0.000 0.442 278 I N 0.231 120.809 120.570 0.013 0.000 2.202 278 I HA -0.215 3.954 4.170 -0.000 0.000 0.242 278 I C 2.751 178.867 176.117 -0.002 0.000 1.091 278 I CA 1.913 63.201 61.300 -0.021 0.000 1.368 278 I CB -0.400 37.490 38.000 -0.183 0.000 1.058 278 I HN 0.507 nan 8.210 nan 0.000 0.410 279 T N -1.981 112.555 114.554 -0.029 0.000 3.055 279 T HA 0.169 4.519 4.350 -0.000 0.000 0.265 279 T C 1.697 176.415 174.700 0.030 0.000 1.111 279 T CA 0.514 62.618 62.100 0.008 0.000 1.118 279 T CB -0.081 68.782 68.868 -0.009 0.000 0.909 279 T HN 0.558 nan 8.240 nan 0.000 0.501 280 G N 0.888 109.700 108.800 0.020 0.000 2.155 280 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.257 280 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.257 280 G C 0.168 175.077 174.900 0.015 0.000 0.983 280 G CA 0.426 45.540 45.100 0.024 0.000 0.676 280 G HN 1.028 nan 8.290 nan 0.000 0.528 281 S N -0.644 115.059 115.700 0.004 0.000 2.554 281 S HA 0.655 5.124 4.470 -0.000 0.000 0.278 281 S C 1.663 176.248 174.600 -0.025 0.000 1.242 281 S CA 0.670 58.868 58.200 -0.002 0.000 1.051 281 S CB 1.463 64.663 63.200 0.000 0.000 0.986 281 S HN 0.475 nan 8.310 nan 0.000 0.502 282 S N 2.000 117.686 115.700 -0.024 0.000 2.423 282 S HA 0.008 4.478 4.470 -0.000 0.000 0.231 282 S C 0.723 175.285 174.600 -0.062 0.000 1.014 282 S CA 0.892 59.071 58.200 -0.036 0.000 0.965 282 S CB -0.402 62.782 63.200 -0.027 0.000 0.785 282 S HN 0.881 nan 8.310 nan 0.000 0.495 283 V N -1.548 118.319 119.914 -0.078 0.000 2.823 283 V HA 0.620 4.740 4.120 -0.000 0.000 0.312 283 V C -3.260 172.715 176.094 -0.200 0.000 1.072 283 V CA -3.277 58.938 62.300 -0.140 0.000 0.937 283 V CB 1.356 33.106 31.823 -0.122 0.000 1.013 283 V HN -0.213 nan 8.190 nan 0.000 0.430 284 P HA 0.092 nan 4.420 nan 0.000 0.261 284 P C -0.448 176.664 177.300 -0.314 0.000 1.173 284 P CA 0.312 63.091 63.100 -0.536 0.000 0.760 284 P CB 0.389 31.235 31.700 -1.424 0.000 0.783 285 V N 4.430 124.321 119.914 -0.038 0.000 2.364 285 V HA 0.121 4.241 4.120 -0.000 0.000 0.272 285 V C 0.513 176.833 176.094 0.377 0.000 1.036 285 V CA -0.108 62.275 62.300 0.138 0.000 0.880 285 V CB 0.787 32.684 31.823 0.123 0.000 0.991 285 V HN 0.494 nan 8.190 nan 0.000 0.460 286 S N 8.178 124.089 115.700 0.352 0.000 2.565 286 S HA 0.310 4.780 4.470 -0.000 0.000 0.276 286 S C -2.103 172.511 174.600 0.024 0.000 1.326 286 S CA -0.680 57.664 58.200 0.239 0.000 1.045 286 S CB 0.846 64.125 63.200 0.133 0.000 0.918 286 S HN 0.675 nan 8.310 nan 0.000 0.505 287 P HA 0.124 nan 4.420 nan 0.000 0.271 287 P C -0.995 176.086 177.300 -0.364 0.000 1.218 287 P CA -0.187 62.511 63.100 -0.669 0.000 0.780 287 P CB 0.418 31.596 31.700 -0.870 0.000 0.901 288 M N 1.807 121.196 119.600 -0.352 0.000 2.144 288 M HA 0.422 4.902 4.480 -0.000 0.000 0.356 288 M C 1.226 177.381 176.300 -0.242 0.000 1.217 288 M CA 0.306 55.452 55.300 -0.257 0.000 1.087 288 M CB 0.802 33.247 32.600 -0.258 0.000 1.609 288 M HN 0.744 nan 8.290 nan 0.000 0.467 289 G N 1.788 110.482 108.800 -0.176 0.000 2.552 289 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.265 289 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.265 289 G C 0.641 175.487 174.900 -0.090 0.000 1.234 289 G CA -0.078 44.949 45.100 -0.123 0.000 0.944 289 G HN 0.782 nan 8.290 nan 0.000 0.568 290 C N 0.896 120.156 119.300 -0.067 0.000 2.442 290 C HA 0.143 4.603 4.460 -0.000 0.000 0.279 290 C C 2.031 177.004 174.990 -0.029 0.000 1.237 290 C CA 1.932 60.931 59.018 -0.032 0.000 1.722 290 C CB -0.961 26.714 27.740 -0.108 0.000 2.056 290 C HN 0.856 nan 8.230 nan 0.000 0.469 291 R N -0.654 119.783 120.500 -0.104 0.000 2.521 291 R HA 0.165 4.505 4.340 -0.000 0.000 0.436 291 R C -0.372 175.702 176.300 -0.377 0.000 0.917 291 R CA 0.196 56.175 56.100 -0.201 0.000 1.080 291 R CB -0.590 29.681 30.300 -0.049 0.000 1.530 291 R HN 0.293 nan 8.270 nan 0.000 0.596 292 S N 1.272 116.761 115.700 -0.350 0.000 2.465 292 S HA 0.551 5.021 4.470 -0.000 0.000 0.279 292 S C -0.918 173.355 174.600 -0.546 0.000 1.201 292 S CA -0.378 57.639 58.200 -0.303 0.000 1.053 292 S CB 0.078 63.069 63.200 -0.348 0.000 0.953 292 S HN 0.242 nan 8.310 nan 0.000 0.488 293 F N 4.752 124.669 119.950 -0.055 0.000 2.427 293 F HA 0.484 5.011 4.527 -0.000 0.000 0.346 293 F C 0.440 176.216 175.800 -0.041 0.000 1.120 293 F CA -0.850 57.114 58.000 -0.060 0.000 1.033 293 F CB 1.048 40.022 39.000 -0.044 0.000 1.126 293 F HN 0.390 nan 8.300 nan 0.000 0.462 294 L N 1.720 123.036 121.223 0.154 0.000 2.466 294 L HA 0.367 4.707 4.340 -0.000 0.000 0.257 294 L C 0.554 177.497 176.870 0.122 0.000 1.189 294 L CA -0.216 54.667 54.840 0.072 0.000 0.813 294 L CB 1.108 43.179 42.059 0.022 0.000 1.118 294 L HN 0.594 nan 8.230 nan 0.000 0.471 295 S N 0.177 115.937 115.700 0.099 0.000 2.578 295 S HA 0.342 4.811 4.470 -0.000 0.000 0.301 295 S C -0.597 174.084 174.600 0.135 0.000 1.091 295 S CA -0.657 57.612 58.200 0.114 0.000 1.032 295 S CB 1.823 65.095 63.200 0.120 0.000 1.064 295 S HN 0.366 nan 8.310 nan 0.000 0.508 296 V N 4.504 124.492 119.914 0.124 0.000 2.752 296 V HA 0.209 4.329 4.120 -0.000 0.000 0.306 296 V C -0.593 175.643 176.094 0.236 0.000 1.099 296 V CA 0.964 63.348 62.300 0.141 0.000 1.240 296 V CB 0.039 31.910 31.823 0.080 0.000 0.887 296 V HN 0.792 nan 8.190 nan 0.000 0.499 297 W N 6.752 128.056 121.300 0.006 0.000 3.217 297 W HA 0.606 5.266 4.660 -0.000 0.000 0.323 297 W C -1.018 175.502 176.519 0.002 0.000 1.216 297 W CA -1.042 56.307 57.345 0.005 0.000 1.194 297 W CB 1.495 30.957 29.460 0.004 0.000 1.397 297 W HN 0.461 nan 8.180 nan 0.000 0.537 298 K N 3.199 123.055 120.400 -0.906 0.000 2.259 298 K HA 0.291 4.611 4.320 -0.000 0.000 0.252 298 K C -0.409 175.296 176.600 -1.491 0.000 0.936 298 K CA -0.806 54.964 56.287 -0.862 0.000 0.810 298 K CB 1.625 33.842 32.500 -0.470 0.000 1.143 298 K HN 0.499 nan 8.250 nan 0.000 0.427 299 D N 0.077 119.966 120.400 -0.852 0.000 2.414 299 D HA -0.060 4.580 4.640 -0.000 0.000 0.251 299 D C 0.926 177.008 176.300 -0.363 0.000 1.252 299 D CA -0.435 53.206 54.000 -0.598 0.000 0.999 299 D CB 0.425 41.150 40.800 -0.124 0.000 1.093 299 D HN 0.393 nan 8.370 nan 0.000 0.515 300 S N -1.871 113.724 115.700 -0.176 0.000 2.488 300 S HA -0.187 4.283 4.470 -0.000 0.000 0.246 300 S C 1.324 175.865 174.600 -0.097 0.000 0.992 300 S CA 1.218 59.353 58.200 -0.109 0.000 0.963 300 S CB -0.737 62.441 63.200 -0.035 0.000 0.754 300 S HN 0.554 nan 8.310 nan 0.000 0.519 301 T N 0.202 114.694 114.554 -0.103 0.000 3.182 301 T HA 0.526 4.876 4.350 -0.000 0.000 0.277 301 T C 1.081 175.728 174.700 -0.087 0.000 1.013 301 T CA 0.354 62.410 62.100 -0.074 0.000 0.900 301 T CB -0.023 68.819 68.868 -0.043 0.000 1.098 301 T HN 0.828 nan 8.240 nan 0.000 0.543 302 G N 1.946 110.665 108.800 -0.135 0.000 2.176 302 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.253 302 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.253 302 G C -0.018 174.808 174.900 -0.123 0.000 0.979 302 G CA -0.243 44.778 45.100 -0.132 0.000 0.641 302 G HN 0.550 nan 8.290 nan 0.000 0.530 303 N N 1.079 119.709 118.700 -0.116 0.000 2.520 303 N HA 0.450 5.190 4.740 -0.000 0.000 0.273 303 N C -0.121 175.340 175.510 -0.081 0.000 1.155 303 N CA -0.043 52.962 53.050 -0.074 0.000 0.967 303 N CB 0.625 39.092 38.487 -0.033 0.000 1.092 303 N HN 0.389 nan 8.380 nan 0.000 0.457 304 E N 2.194 122.376 120.200 -0.029 0.000 2.105 304 E HA 0.153 4.503 4.350 -0.000 0.000 0.285 304 E C -0.355 176.296 176.600 0.085 0.000 1.055 304 E CA -0.303 56.106 56.400 0.015 0.000 0.843 304 E CB 0.584 30.292 29.700 0.014 0.000 1.067 304 E HN 0.323 nan 8.360 nan 0.000 0.398 305 I N 4.259 124.947 120.570 0.197 0.000 2.353 305 I HA 0.095 4.265 4.170 -0.000 0.000 0.293 305 I C 0.475 176.709 176.117 0.196 0.000 0.992 305 I CA -0.195 61.248 61.300 0.238 0.000 1.268 305 I CB 1.252 39.500 38.000 0.414 0.000 1.387 305 I HN 0.568 nan 8.210 nan 0.000 0.478 306 L N 3.275 124.562 121.223 0.107 0.000 2.738 306 L HA 0.323 4.663 4.340 -0.000 0.000 0.175 306 L C 0.332 177.213 176.870 0.017 0.000 1.125 306 L CA 0.891 55.768 54.840 0.061 0.000 0.857 306 L CB -0.300 41.789 42.059 0.050 0.000 1.300 306 L HN 0.438 nan 8.230 nan 0.000 0.499 307 D N 0.571 120.987 120.400 0.027 0.000 2.458 307 D HA 0.404 5.044 4.640 -0.000 0.000 0.243 307 D C 1.149 177.451 176.300 0.004 0.000 1.146 307 D CA 1.342 55.349 54.000 0.010 0.000 0.877 307 D CB 0.786 41.607 40.800 0.035 0.000 1.176 307 D HN 0.524 nan 8.370 nan 0.000 0.461 308 G N 2.399 111.186 108.800 -0.022 0.000 2.176 308 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.232 308 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.232 308 G C 0.506 175.309 174.900 -0.162 0.000 0.986 308 G CA -0.259 44.843 45.100 0.002 0.000 0.643 308 G HN 0.505 nan 8.290 nan 0.000 0.522 309 R N 0.745 121.116 120.500 -0.215 0.000 2.528 309 R HA 0.601 4.940 4.340 -0.000 0.000 0.271 309 R C 0.479 176.508 176.300 -0.452 0.000 1.056 309 R CA 0.106 55.997 56.100 -0.349 0.000 1.117 309 R CB 0.640 30.777 30.300 -0.271 0.000 1.085 309 R HN 0.528 nan 8.270 nan 0.000 0.530 310 N N 0.064 118.438 118.700 -0.542 0.000 3.229 310 N HA 0.195 4.935 4.740 -0.000 0.000 0.315 310 N C -1.522 173.715 175.510 -0.455 0.000 1.520 310 N CA -1.005 51.718 53.050 -0.545 0.000 0.769 310 N CB 0.632 38.631 38.487 -0.813 0.000 1.766 310 N HN 0.491 nan 8.380 nan 0.000 0.618 311 N N -1.535 116.898 118.700 -0.445 0.000 2.238 311 N HA 0.457 5.197 4.740 -0.000 0.000 0.302 311 N C -0.725 174.521 175.510 -0.441 0.000 1.072 311 N CA -0.587 52.218 53.050 -0.409 0.000 0.792 311 N CB 1.111 39.367 38.487 -0.386 0.000 1.425 311 N HN 0.419 nan 8.380 nan 0.000 0.478 312 L N 1.548 122.525 121.223 -0.410 0.000 2.607 312 L HA 0.570 4.910 4.340 -0.000 0.000 0.228 312 L C 0.814 177.557 176.870 -0.213 0.000 1.123 312 L CA 0.373 54.981 54.840 -0.386 0.000 0.890 312 L CB -0.672 41.124 42.059 -0.438 0.000 1.103 312 L HN 0.839 nan 8.230 nan 0.000 0.468 313 G N -1.547 107.147 108.800 -0.177 0.000 2.333 313 G HA2 0.287 4.247 3.960 -0.000 0.000 0.330 313 G HA3 0.287 4.247 3.960 -0.000 0.000 0.330 313 G C -1.848 173.008 174.900 -0.074 0.000 1.465 313 G CA -0.663 44.416 45.100 -0.034 0.000 0.996 313 G HN -0.213 nan 8.290 nan 0.000 0.655 314 V N -0.389 119.524 119.914 -0.002 0.000 2.656 314 V HA 0.777 4.897 4.120 -0.000 0.000 0.307 314 V C -0.201 176.041 176.094 0.245 0.000 1.051 314 V CA -0.853 61.465 62.300 0.031 0.000 0.893 314 V CB 1.836 33.549 31.823 -0.183 0.000 0.999 314 V HN 0.973 nan 8.190 nan 0.000 0.426 315 V N 3.004 123.097 119.914 0.298 0.000 2.443 315 V HA 0.444 4.564 4.120 -0.000 0.000 0.293 315 V C 0.045 176.391 176.094 0.420 0.000 1.021 315 V CA -0.221 62.280 62.300 0.335 0.000 0.848 315 V CB 2.233 34.185 31.823 0.214 0.000 0.998 315 V HN 0.968 nan 8.190 nan 0.000 0.424 316 T N 6.259 121.124 114.554 0.519 0.000 2.837 316 T HA 0.474 4.824 4.350 -0.000 0.000 0.285 316 T C -0.313 174.679 174.700 0.488 0.000 0.984 316 T CA -0.220 62.195 62.100 0.525 0.000 1.049 316 T CB 1.119 70.365 68.868 0.630 0.000 0.947 316 T HN 0.389 nan 8.240 nan 0.000 0.472 317 L N 4.076 125.541 121.223 0.404 0.000 2.276 317 L HA 0.383 4.722 4.340 -0.000 0.000 0.286 317 L C 0.245 177.233 176.870 0.197 0.000 1.061 317 L CA -0.645 54.362 54.840 0.280 0.000 0.807 317 L CB 0.854 43.061 42.059 0.247 0.000 1.177 317 L HN 0.549 nan 8.230 nan 0.000 0.429 318 N N 5.149 123.791 118.700 -0.097 0.000 2.448 318 N HA 0.109 4.849 4.740 -0.000 0.000 0.250 318 N C 0.772 176.207 175.510 -0.125 0.000 1.136 318 N CA 0.006 52.776 53.050 -0.466 0.000 0.953 318 N CB 0.715 38.535 38.487 -1.112 0.000 1.251 318 N HN 0.665 nan 8.380 nan 0.000 0.502 319 L N 4.541 125.769 121.223 0.008 0.000 2.044 319 L HA 0.023 4.363 4.340 -0.000 0.000 0.205 319 L C -0.620 176.262 176.870 0.020 0.000 1.075 319 L CA 0.897 55.788 54.840 0.085 0.000 0.747 319 L CB -1.210 40.944 42.059 0.159 0.000 0.903 319 L HN 0.389 nan 8.230 nan 0.000 0.435 320 P HA -0.196 nan 4.420 nan 0.000 0.216 320 P C 1.383 178.632 177.300 -0.086 0.000 1.153 320 P CA 1.173 64.124 63.100 -0.249 0.000 0.858 320 P CB -0.009 31.249 31.700 -0.738 0.000 0.789 321 R N 0.064 120.534 120.500 -0.050 0.000 2.152 321 R HA -0.053 4.287 4.340 -0.000 0.000 0.232 321 R C 2.015 178.372 176.300 0.094 0.000 1.117 321 R CA 1.279 57.395 56.100 0.027 0.000 0.981 321 R CB -1.465 28.832 30.300 -0.005 0.000 0.870 321 R HN 0.181 nan 8.270 nan 0.000 0.451 322 I N -0.259 120.389 120.570 0.131 0.000 2.252 322 I HA -0.164 4.005 4.170 -0.000 0.000 0.245 322 I C 2.235 178.605 176.117 0.423 0.000 1.102 322 I CA 1.186 62.598 61.300 0.186 0.000 1.385 322 I CB -0.471 37.584 38.000 0.091 0.000 1.064 322 I HN 0.236 nan 8.210 nan 0.000 0.414 323 A N 1.172 124.312 122.820 0.533 0.000 1.898 323 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 323 A C 2.321 180.127 177.584 0.369 0.000 1.181 323 A CA 1.228 53.600 52.037 0.558 0.000 0.620 323 A CB -0.773 18.327 19.000 0.167 0.000 0.819 323 A HN 0.341 nan 8.150 nan 0.000 0.442 324 L N -0.355 120.890 121.223 0.037 0.000 2.012 324 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 324 L C 1.589 178.377 176.870 -0.136 0.000 1.073 324 L CA 1.480 56.120 54.840 -0.334 0.000 0.748 324 L CB -0.571 41.116 42.059 -0.620 0.000 0.891 324 L HN 0.292 nan 8.230 nan 0.000 0.431 325 D N -0.916 119.553 120.400 0.116 0.000 2.378 325 D HA -0.077 4.563 4.640 -0.000 0.000 0.227 325 D C 1.874 178.316 176.300 0.237 0.000 1.012 325 D CA 0.630 54.779 54.000 0.250 0.000 0.905 325 D CB 0.245 41.181 40.800 0.227 0.000 0.895 325 D HN 0.156 nan 8.370 nan 0.000 0.532 326 S N -0.576 115.300 115.700 0.294 0.000 2.524 326 S HA 0.052 4.522 4.470 -0.000 0.000 0.215 326 S C 0.261 174.953 174.600 0.154 0.000 0.986 326 S CA -0.449 57.884 58.200 0.222 0.000 0.911 326 S CB 0.376 63.769 63.200 0.321 0.000 0.805 326 S HN 0.161 nan 8.310 nan 0.000 0.501 327 Y N 1.852 122.185 120.300 0.055 0.000 2.411 327 Y HA 0.285 4.835 4.550 -0.000 0.000 0.333 327 Y C 0.375 176.295 175.900 0.034 0.000 1.186 327 Y CA -0.839 57.284 58.100 0.038 0.000 1.381 327 Y CB 0.328 38.804 38.460 0.026 0.000 1.273 327 Y HN 0.046 nan 8.280 nan 0.000 0.546 328 I N 3.376 123.985 120.570 0.064 0.000 2.382 328 I HA 0.310 4.479 4.170 -0.000 0.000 0.286 328 I C 0.794 176.959 176.117 0.081 0.000 1.002 328 I CA -0.160 61.175 61.300 0.058 0.000 1.135 328 I CB 0.647 38.640 38.000 -0.010 0.000 1.288 328 I HN 0.844 nan 8.210 nan 0.000 0.448 329 G N 5.789 114.662 108.800 0.121 0.000 2.583 329 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.292 329 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.292 329 G C 0.641 175.656 174.900 0.192 0.000 1.203 329 G CA 0.637 45.810 45.100 0.121 0.000 0.987 329 G HN 0.731 nan 8.290 nan 0.000 0.554 330 T N -1.565 113.089 114.554 0.166 0.000 3.186 330 T HA 0.517 4.867 4.350 -0.000 0.000 0.257 330 T C 0.525 175.347 174.700 0.204 0.000 1.029 330 T CA 1.232 63.486 62.100 0.257 0.000 0.916 330 T CB 0.399 69.361 68.868 0.157 0.000 1.041 330 T HN 0.773 nan 8.240 nan 0.000 0.562 331 Q N 0.663 120.461 119.800 -0.003 0.000 2.337 331 Q HA 0.543 4.883 4.340 -0.000 0.000 0.266 331 Q C -1.377 174.208 176.000 -0.691 0.000 1.023 331 Q CA -1.248 54.398 55.803 -0.261 0.000 0.829 331 Q CB 1.272 29.936 28.738 -0.123 0.000 1.306 331 Q HN 0.382 nan 8.270 nan 0.000 0.449 332 F N 4.041 123.345 119.950 -1.077 0.000 2.504 332 F HA 0.224 4.751 4.527 -0.000 0.000 0.369 332 F C -0.393 175.158 175.800 -0.414 0.000 1.082 332 F CA -0.116 57.281 58.000 -1.005 0.000 1.216 332 F CB 0.589 39.151 39.000 -0.731 0.000 1.108 332 F HN 0.517 nan 8.300 nan 0.000 0.554 333 N N 5.983 124.064 118.700 -1.032 0.000 2.546 333 N HA 0.031 4.770 4.740 -0.000 0.000 0.238 333 N C 0.862 175.815 175.510 -0.928 0.000 0.984 333 N CA -0.064 52.542 53.050 -0.740 0.000 0.935 333 N CB 0.827 39.104 38.487 -0.349 0.000 1.122 333 N HN 0.981 nan 8.380 nan 0.000 0.510 334 E N 2.418 122.158 120.200 -0.767 0.000 2.070 334 E HA -0.316 4.033 4.350 -0.000 0.000 0.197 334 E C 1.274 177.815 176.600 -0.100 0.000 1.004 334 E CA 1.593 57.770 56.400 -0.372 0.000 0.805 334 E CB 0.246 29.888 29.700 -0.097 0.000 0.744 334 E HN 0.593 nan 8.360 nan 0.000 0.451 335 Q N 1.044 120.787 119.800 -0.094 0.000 2.170 335 Q HA -0.189 4.151 4.340 -0.000 0.000 0.203 335 Q C 1.847 177.847 176.000 -0.000 0.000 0.976 335 Q CA 1.933 57.724 55.803 -0.020 0.000 0.858 335 Q CB -0.135 28.584 28.738 -0.030 0.000 0.907 335 Q HN 0.055 nan 8.270 nan 0.000 0.433 336 K N -0.567 119.806 120.400 -0.046 0.000 2.057 336 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 336 K C 1.648 178.298 176.600 0.084 0.000 1.050 336 K CA 1.183 57.470 56.287 -0.001 0.000 0.935 336 K CB -0.825 31.651 32.500 -0.039 0.000 0.715 336 K HN 0.285 nan 8.250 nan 0.000 0.439 337 F N 0.508 120.411 119.950 -0.078 0.000 2.069 337 F HA -0.193 4.334 4.527 -0.000 0.000 0.298 337 F C 1.897 177.773 175.800 0.126 0.000 1.113 337 F CA 1.533 59.564 58.000 0.051 0.000 1.214 337 F CB -0.606 38.452 39.000 0.096 0.000 0.978 337 F HN -0.136 nan 8.300 nan 0.000 0.474 338 V N 0.439 120.452 119.914 0.164 0.000 2.324 338 V HA -0.341 3.779 4.120 -0.000 0.000 0.250 338 V C 2.172 178.327 176.094 0.101 0.000 1.060 338 V CA 2.474 64.850 62.300 0.127 0.000 1.042 338 V CB -0.675 31.228 31.823 0.132 0.000 0.650 338 V HN 0.405 nan 8.190 nan 0.000 0.450 339 E N -0.408 119.832 120.200 0.065 0.000 2.107 339 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 339 E C 2.216 178.831 176.600 0.025 0.000 0.982 339 E CA 0.865 57.294 56.400 0.048 0.000 0.809 339 E CB -0.113 29.610 29.700 0.037 0.000 0.756 339 E HN 0.496 nan 8.360 nan 0.000 0.459 340 L N 0.123 121.347 121.223 0.002 0.000 2.072 340 L HA -0.105 4.235 4.340 -0.000 0.000 0.205 340 L C 2.377 179.214 176.870 -0.055 0.000 1.079 340 L CA 0.717 55.547 54.840 -0.017 0.000 0.752 340 L CB -0.319 41.739 42.059 -0.002 0.000 0.906 340 L HN 0.144 nan 8.230 nan 0.000 0.436 341 F N 1.721 121.491 119.950 -0.301 0.000 2.069 341 F HA -0.259 4.268 4.527 -0.000 0.000 0.298 341 F C 2.407 178.116 175.800 -0.152 0.000 1.113 341 F CA 1.808 59.623 58.000 -0.308 0.000 1.214 341 F CB -0.381 38.361 39.000 -0.430 0.000 0.978 341 F HN 0.112 nan 8.300 nan 0.000 0.474 342 N N 0.728 119.374 118.700 -0.089 0.000 2.104 342 N HA -0.233 4.507 4.740 -0.000 0.000 0.190 342 N C 1.843 177.287 175.510 -0.110 0.000 1.024 342 N CA 1.799 54.783 53.050 -0.110 0.000 0.853 342 N CB -0.819 37.715 38.487 0.078 0.000 1.008 342 N HN 0.721 nan 8.380 nan 0.000 0.424 343 E N 0.982 121.149 120.200 -0.055 0.000 2.208 343 E HA -0.064 4.286 4.350 -0.000 0.000 0.193 343 E C 1.768 178.352 176.600 -0.027 0.000 0.988 343 E CA 0.654 57.041 56.400 -0.022 0.000 0.828 343 E CB -0.059 29.644 29.700 0.005 0.000 0.763 343 E HN 0.232 nan 8.360 nan 0.000 0.478 344 R N -0.453 119.998 120.500 -0.082 0.000 2.153 344 R HA 0.057 4.397 4.340 -0.000 0.000 0.218 344 R C 2.285 178.547 176.300 -0.064 0.000 1.072 344 R CA 1.086 57.157 56.100 -0.049 0.000 0.990 344 R CB -0.069 30.201 30.300 -0.050 0.000 0.889 344 R HN 0.281 nan 8.270 nan 0.000 0.452 345 M N 0.713 120.174 119.600 -0.231 0.000 2.086 345 M HA -0.143 4.337 4.480 -0.000 0.000 0.261 345 M C 1.169 177.582 176.300 0.188 0.000 1.067 345 M CA 1.676 56.889 55.300 -0.145 0.000 1.116 345 M CB -0.680 31.532 32.600 -0.647 0.000 1.348 345 M HN -0.029 nan 8.290 nan 0.000 0.407 346 D N 0.286 120.747 120.400 0.102 0.000 2.219 346 D HA -0.111 4.529 4.640 -0.000 0.000 0.205 346 D C 1.932 178.315 176.300 0.138 0.000 0.970 346 D CA 0.644 54.716 54.000 0.120 0.000 0.851 346 D CB -0.249 40.593 40.800 0.069 0.000 0.943 346 D HN 0.213 nan 8.370 nan 0.000 0.488 347 L N 0.110 121.412 121.223 0.132 0.000 2.056 347 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 347 L C 1.988 178.914 176.870 0.093 0.000 1.078 347 L CA 1.555 56.495 54.840 0.167 0.000 0.749 347 L CB -0.605 41.550 42.059 0.162 0.000 0.901 347 L HN 0.040 nan 8.230 nan 0.000 0.433 348 C N -0.545 118.823 119.300 0.113 0.000 2.425 348 C HA -0.172 4.288 4.460 -0.000 0.000 0.277 348 C C 2.609 177.570 174.990 -0.049 0.000 1.280 348 C CA 0.976 60.070 59.018 0.127 0.000 1.744 348 C CB -1.372 26.545 27.740 0.296 0.000 1.989 348 C HN 0.730 nan 8.230 nan 0.000 0.491 349 F N 2.154 121.837 119.950 -0.445 0.000 2.134 349 F HA -0.123 4.404 4.527 -0.000 0.000 0.299 349 F C 2.270 177.786 175.800 -0.473 0.000 1.097 349 F CA 2.146 59.509 58.000 -1.061 0.000 1.264 349 F CB -0.411 37.544 39.000 -1.741 0.000 1.001 349 F HN 0.098 nan 8.300 nan 0.000 0.479 350 E N 0.506 120.538 120.200 -0.279 0.000 2.110 350 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 350 E C 2.234 178.674 176.600 -0.266 0.000 0.988 350 E CA 1.339 57.623 56.400 -0.195 0.000 0.804 350 E CB -0.539 29.243 29.700 0.137 0.000 0.745 350 E HN 0.458 nan 8.360 nan 0.000 0.458 351 A N 0.118 122.808 122.820 -0.217 0.000 1.873 351 A HA -0.130 4.190 4.320 -0.000 0.000 0.215 351 A C 2.242 179.716 177.584 -0.184 0.000 1.186 351 A CA 1.265 53.188 52.037 -0.190 0.000 0.616 351 A CB -0.736 18.203 19.000 -0.102 0.000 0.823 351 A HN 0.279 nan 8.150 nan 0.000 0.442 352 L N -0.976 120.141 121.223 -0.176 0.000 2.046 352 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 352 L C 2.751 179.469 176.870 -0.253 0.000 1.077 352 L CA 1.161 55.923 54.840 -0.130 0.000 0.747 352 L CB -0.448 41.654 42.059 0.072 0.000 0.896 352 L HN 0.323 nan 8.230 nan 0.000 0.432 353 M N -1.105 118.241 119.600 -0.424 0.000 2.296 353 M HA -0.206 4.274 4.480 -0.000 0.000 0.265 353 M C 2.570 178.718 176.300 -0.254 0.000 1.064 353 M CA 1.181 56.239 55.300 -0.403 0.000 1.109 353 M CB -1.661 30.587 32.600 -0.587 0.000 1.396 353 M HN 0.492 nan 8.290 nan 0.000 0.430 354 C N 1.223 120.389 119.300 -0.224 0.000 2.413 354 C HA -0.157 4.303 4.460 -0.000 0.000 0.276 354 C C 2.893 177.803 174.990 -0.133 0.000 1.236 354 C CA 1.053 59.976 59.018 -0.158 0.000 1.735 354 C CB -0.680 26.956 27.740 -0.173 0.000 2.031 354 C HN 0.497 nan 8.230 nan 0.000 0.474 355 R N 0.145 120.561 120.500 -0.141 0.000 2.115 355 R HA 0.054 4.394 4.340 -0.000 0.000 0.226 355 R C 2.148 178.380 176.300 -0.113 0.000 1.100 355 R CA 1.474 57.512 56.100 -0.104 0.000 0.980 355 R CB -0.377 29.870 30.300 -0.088 0.000 0.875 355 R HN 0.604 nan 8.270 nan 0.000 0.445 356 I N 0.361 120.815 120.570 -0.192 0.000 2.394 356 I HA -0.214 3.956 4.170 -0.000 0.000 0.251 356 I C 1.889 177.926 176.117 -0.133 0.000 1.136 356 I CA 1.102 62.252 61.300 -0.251 0.000 1.425 356 I CB -0.091 37.596 38.000 -0.522 0.000 1.079 356 I HN 0.052 nan 8.210 nan 0.000 0.425 357 S N 0.249 115.884 115.700 -0.108 0.000 2.453 357 S HA -0.107 4.362 4.470 -0.000 0.000 0.231 357 S C 2.114 176.699 174.600 -0.025 0.000 1.005 357 S CA 1.273 59.446 58.200 -0.046 0.000 0.949 357 S CB -0.147 63.027 63.200 -0.043 0.000 0.774 357 S HN 0.605 nan 8.310 nan 0.000 0.510 358 S N 1.723 117.403 115.700 -0.033 0.000 2.447 358 S HA 0.066 4.536 4.470 -0.000 0.000 0.233 358 S C 1.567 176.172 174.600 0.008 0.000 1.006 358 S CA 0.581 58.772 58.200 -0.014 0.000 0.957 358 S CB -0.558 62.634 63.200 -0.013 0.000 0.773 358 S HN 0.488 nan 8.310 nan 0.000 0.507 359 L N 0.303 121.539 121.223 0.023 0.000 2.478 359 L HA 0.171 4.511 4.340 -0.000 0.000 0.223 359 L C 0.835 177.727 176.870 0.037 0.000 1.140 359 L CA 0.329 55.204 54.840 0.058 0.000 0.842 359 L CB -0.410 41.731 42.059 0.137 0.000 0.953 359 L HN 0.162 nan 8.230 nan 0.000 0.452 360 K N 0.804 121.220 120.400 0.026 0.000 2.451 360 K HA 0.210 4.530 4.320 -0.000 0.000 0.280 360 K C 1.134 177.732 176.600 -0.003 0.000 1.020 360 K CA 0.692 56.990 56.287 0.018 0.000 1.008 360 K CB 0.513 33.027 32.500 0.024 0.000 0.917 360 K HN 0.214 nan 8.250 nan 0.000 0.478 361 G N 1.193 109.982 108.800 -0.017 0.000 2.179 361 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.260 361 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.260 361 G C 0.166 175.039 174.900 -0.044 0.000 0.977 361 G CA -0.021 45.063 45.100 -0.027 0.000 0.641 361 G HN 0.429 nan 8.290 nan 0.000 0.533 362 V N 1.899 121.780 119.914 -0.055 0.000 2.583 362 V HA 0.481 4.601 4.120 -0.000 0.000 0.287 362 V C 0.537 176.554 176.094 -0.128 0.000 1.051 362 V CA -0.363 61.890 62.300 -0.078 0.000 1.010 362 V CB 1.552 33.336 31.823 -0.065 0.000 0.988 362 V HN 0.216 nan 8.190 nan 0.000 0.478 363 K N 2.899 123.227 120.400 -0.119 0.000 2.095 363 K HA 0.565 4.885 4.320 -0.000 0.000 0.252 363 K C 0.993 177.484 176.600 -0.182 0.000 0.977 363 K CA -0.324 55.883 56.287 -0.132 0.000 0.900 363 K CB 1.418 33.873 32.500 -0.075 0.000 1.060 363 K HN 0.648 nan 8.250 nan 0.000 0.449 364 A N 0.836 123.546 122.820 -0.183 0.000 2.225 364 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 364 A C 1.632 179.218 177.584 0.003 0.000 1.164 364 A CA 1.926 53.873 52.037 -0.149 0.000 0.710 364 A CB -0.927 18.044 19.000 -0.048 0.000 0.780 364 A HN 0.804 nan 8.150 nan 0.000 0.473 365 T N -3.159 111.386 114.554 -0.015 0.000 2.929 365 T HA -0.094 4.256 4.350 -0.000 0.000 0.271 365 T C 1.576 176.300 174.700 0.040 0.000 1.085 365 T CA 1.149 63.258 62.100 0.014 0.000 1.125 365 T CB -0.588 68.280 68.868 -0.001 0.000 0.874 365 T HN 0.067 nan 8.240 nan 0.000 0.494 366 V N 1.025 120.958 119.914 0.033 0.000 2.490 366 V HA 0.240 4.359 4.120 -0.000 0.000 0.250 366 V C 1.420 177.614 176.094 0.167 0.000 1.061 366 V CA 1.414 63.748 62.300 0.057 0.000 1.064 366 V CB -0.541 31.281 31.823 -0.002 0.000 0.670 366 V HN 0.848 nan 8.190 nan 0.000 0.461 367 A N -1.433 121.516 122.820 0.216 0.000 2.839 367 A HA 0.577 4.897 4.320 -0.000 0.000 0.303 367 A C -2.034 175.537 177.584 -0.021 0.000 1.181 367 A CA -0.537 51.577 52.037 0.129 0.000 0.808 367 A CB 0.692 19.778 19.000 0.144 0.000 1.391 367 A HN 0.221 nan 8.150 nan 0.000 0.433 368 P HA -0.157 nan 4.420 nan 0.000 0.215 368 P C 1.610 178.824 177.300 -0.144 0.000 1.153 368 P CA 0.854 63.923 63.100 -0.051 0.000 0.853 368 P CB 0.245 31.931 31.700 -0.023 0.000 0.788 369 I N -1.110 119.301 120.570 -0.264 0.000 2.208 369 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 369 I C 1.933 177.813 176.117 -0.394 0.000 1.097 369 I CA 1.695 62.833 61.300 -0.270 0.000 1.363 369 I CB -0.617 37.195 38.000 -0.314 0.000 1.051 369 I HN -0.174 nan 8.210 nan 0.000 0.413 370 L N -1.474 119.379 121.223 -0.617 0.000 2.095 370 L HA -0.155 4.185 4.340 -0.000 0.000 0.204 370 L C 2.109 178.400 176.870 -0.964 0.000 1.080 370 L CA 1.192 55.365 54.840 -1.112 0.000 0.759 370 L CB -0.762 40.226 42.059 -1.786 0.000 0.914 370 L HN 0.215 nan 8.230 nan 0.000 0.439 371 Y N -0.924 119.223 120.300 -0.255 0.000 2.503 371 Y HA 0.047 4.597 4.550 -0.000 0.000 0.277 371 Y C 2.460 178.335 175.900 -0.041 0.000 1.102 371 Y CA 0.257 58.306 58.100 -0.085 0.000 1.261 371 Y CB 0.082 38.512 38.460 -0.049 0.000 1.096 371 Y HN 0.105 nan 8.280 nan 0.000 0.546 372 Q N -0.666 119.170 119.800 0.061 0.000 2.423 372 Q HA 0.032 4.371 4.340 -0.000 0.000 0.231 372 Q C 0.807 176.830 176.000 0.039 0.000 0.894 372 Q CA 0.502 56.339 55.803 0.055 0.000 0.938 372 Q CB 0.549 29.316 28.738 0.049 0.000 1.079 372 Q HN 0.175 nan 8.270 nan 0.000 0.552 373 E N -0.426 119.781 120.200 0.011 0.000 2.451 373 E HA 0.165 4.515 4.350 -0.000 0.000 0.194 373 E C 0.629 177.236 176.600 0.012 0.000 1.027 373 E CA 0.387 56.824 56.400 0.061 0.000 0.914 373 E CB 1.072 30.855 29.700 0.137 0.000 1.054 373 E HN 0.472 nan 8.360 nan 0.000 0.461 374 G N 1.001 109.786 108.800 -0.025 0.000 2.213 374 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.236 374 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.236 374 G C 1.321 176.176 174.900 -0.074 0.000 0.991 374 G CA 0.447 45.528 45.100 -0.032 0.000 0.629 374 G HN 0.438 nan 8.290 nan 0.000 0.517 375 A N -0.136 122.581 122.820 -0.172 0.000 1.972 375 A HA 0.340 4.660 4.320 -0.000 0.000 0.219 375 A C 1.593 179.237 177.584 0.101 0.000 1.169 375 A CA 1.972 53.921 52.037 -0.146 0.000 0.635 375 A CB -0.401 18.417 19.000 -0.303 0.000 0.810 375 A HN 0.662 nan 8.150 nan 0.000 0.446 376 F N -0.242 119.617 119.950 -0.152 0.000 2.660 376 F HA 0.359 4.886 4.527 -0.000 0.000 0.297 376 F C 1.810 177.580 175.800 -0.049 0.000 1.132 376 F CA -0.573 57.361 58.000 -0.111 0.000 1.372 376 F CB -0.807 38.123 39.000 -0.116 0.000 1.003 376 F HN 0.339 nan 8.300 nan 0.000 0.524 377 G N 0.714 109.595 108.800 0.134 0.000 2.180 377 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.263 377 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.263 377 G C 0.217 175.176 174.900 0.099 0.000 0.989 377 G CA 0.672 45.828 45.100 0.094 0.000 0.692 377 G HN 0.587 nan 8.290 nan 0.000 0.526 378 V N -5.045 114.934 119.914 0.110 0.000 3.105 378 V HA 0.999 5.119 4.120 -0.000 0.000 0.311 378 V C -0.424 175.723 176.094 0.090 0.000 1.287 378 V CA -1.894 60.466 62.300 0.100 0.000 1.066 378 V CB 2.098 33.986 31.823 0.108 0.000 1.105 378 V HN 0.224 nan 8.190 nan 0.000 0.462 379 R N 0.934 121.482 120.500 0.079 0.000 2.521 379 R HA 0.752 5.092 4.340 -0.000 0.000 0.295 379 R C -1.355 174.984 176.300 0.065 0.000 1.183 379 R CA -0.289 55.853 56.100 0.070 0.000 0.957 379 R CB 0.900 31.236 30.300 0.060 0.000 1.171 379 R HN 0.768 nan 8.270 nan 0.000 0.494 380 L N 1.904 123.174 121.223 0.078 0.000 2.379 380 L HA 0.479 4.819 4.340 -0.000 0.000 0.269 380 L C 0.276 177.171 176.870 0.041 0.000 1.084 380 L CA -0.121 54.753 54.840 0.057 0.000 0.802 380 L CB 0.904 43.006 42.059 0.072 0.000 1.175 380 L HN 0.369 nan 8.230 nan 0.000 0.448 381 K N 3.476 123.888 120.400 0.019 0.000 2.118 381 K HA 0.250 4.570 4.320 -0.000 0.000 0.267 381 K C -1.646 174.956 176.600 0.002 0.000 0.991 381 K CA -1.493 54.802 56.287 0.013 0.000 0.916 381 K CB 0.886 33.390 32.500 0.007 0.000 1.041 381 K HN 0.296 nan 8.250 nan 0.000 0.455 382 P HA -0.267 nan 4.420 nan 0.000 0.222 382 P C 0.447 177.734 177.300 -0.021 0.000 1.157 382 P CA 1.648 64.747 63.100 -0.002 0.000 0.905 382 P CB 0.199 31.900 31.700 0.001 0.000 0.792 383 D N -1.940 118.448 120.400 -0.020 0.000 2.328 383 D HA -0.016 4.624 4.640 -0.000 0.000 0.226 383 D C -0.200 176.076 176.300 -0.040 0.000 1.066 383 D CA 0.078 54.061 54.000 -0.028 0.000 0.861 383 D CB -0.547 40.242 40.800 -0.018 0.000 0.912 383 D HN 0.054 nan 8.370 nan 0.000 0.521 384 D N 0.432 120.803 120.400 -0.049 0.000 2.264 384 D HA 0.116 4.756 4.640 -0.000 0.000 0.249 384 D C -0.345 175.889 176.300 -0.111 0.000 1.070 384 D CA -0.156 53.805 54.000 -0.064 0.000 0.912 384 D CB 0.971 41.738 40.800 -0.054 0.000 1.193 384 D HN 0.036 nan 8.370 nan 0.000 0.427 385 D N 0.813 121.144 120.400 -0.115 0.000 2.308 385 D HA 0.088 4.728 4.640 -0.000 0.000 0.251 385 D C 1.564 177.718 176.300 -0.245 0.000 1.127 385 D CA -0.287 53.623 54.000 -0.150 0.000 0.876 385 D CB 0.973 41.714 40.800 -0.098 0.000 1.176 385 D HN 0.365 nan 8.370 nan 0.000 0.446 386 I N 0.182 120.536 120.570 -0.362 0.000 2.676 386 I HA -0.065 4.105 4.170 -0.000 0.000 0.259 386 I C 1.878 177.584 176.117 -0.684 0.000 1.194 386 I CA 0.634 61.571 61.300 -0.604 0.000 1.473 386 I CB -0.030 37.443 38.000 -0.878 0.000 1.096 386 I HN 0.312 nan 8.210 nan 0.000 0.443 387 I N 1.674 122.038 120.570 -0.345 0.000 2.394 387 I HA -0.201 3.969 4.170 -0.000 0.000 0.251 387 I C 2.364 178.348 176.117 -0.222 0.000 1.136 387 I CA 1.234 62.414 61.300 -0.200 0.000 1.425 387 I CB -0.140 37.903 38.000 0.072 0.000 1.079 387 I HN 0.241 nan 8.210 nan 0.000 0.425 388 E N 0.467 120.546 120.200 -0.201 0.000 2.209 388 E HA -0.257 4.093 4.350 -0.000 0.000 0.196 388 E C 2.005 178.504 176.600 -0.169 0.000 0.993 388 E CA 0.960 57.284 56.400 -0.127 0.000 0.819 388 E CB -0.485 29.162 29.700 -0.089 0.000 0.745 388 E HN 0.422 nan 8.360 nan 0.000 0.477 389 L N 0.013 121.031 121.223 -0.342 0.000 2.275 389 L HA -0.083 4.257 4.340 -0.000 0.000 0.215 389 L C 1.480 178.242 176.870 -0.181 0.000 1.119 389 L CA 1.333 55.999 54.840 -0.290 0.000 0.790 389 L CB -0.264 41.600 42.059 -0.324 0.000 0.919 389 L HN -0.098 nan 8.230 nan 0.000 0.443 390 F N -0.718 119.229 119.950 -0.005 0.000 2.746 390 F HA 0.249 4.775 4.527 -0.000 0.000 0.297 390 F C 1.380 177.131 175.800 -0.080 0.000 1.113 390 F CA -0.711 57.269 58.000 -0.034 0.000 1.367 390 F CB -0.860 38.201 39.000 0.102 0.000 1.111 390 F HN -0.102 nan 8.300 nan 0.000 0.590 391 K N 0.848 121.255 120.400 0.011 0.000 2.234 391 K HA -0.021 4.299 4.320 -0.000 0.000 0.251 391 K C 0.378 176.878 176.600 -0.167 0.000 1.011 391 K CA 0.345 56.472 56.287 -0.268 0.000 0.889 391 K CB -0.177 32.185 32.500 -0.229 0.000 1.011 391 K HN 0.165 nan 8.250 nan 0.000 0.505 392 N N 0.130 118.704 118.700 -0.210 0.000 2.725 392 N HA -0.246 4.494 4.740 -0.000 0.000 0.251 392 N C 0.360 175.971 175.510 0.168 0.000 1.031 392 N CA 0.106 53.164 53.050 0.013 0.000 0.720 392 N CB -1.235 37.328 38.487 0.127 0.000 0.930 392 N HN 0.946 nan 8.380 nan 0.000 0.543 393 G N -0.688 108.124 108.800 0.019 0.000 2.184 393 G HA2 -0.436 3.524 3.960 -0.000 0.000 0.264 393 G HA3 -0.436 3.524 3.960 -0.000 0.000 0.264 393 G C 0.821 175.489 174.900 -0.387 0.000 0.975 393 G CA 0.823 45.942 45.100 0.032 0.000 0.642 393 G HN 0.590 nan 8.290 nan 0.000 0.536 394 R N 0.498 120.597 120.500 -0.669 0.000 2.066 394 R HA 0.135 4.475 4.340 -0.000 0.000 0.232 394 R C 1.159 177.089 176.300 -0.617 0.000 1.131 394 R CA 1.570 56.930 56.100 -1.234 0.000 0.955 394 R CB -0.183 29.456 30.300 -1.100 0.000 0.851 394 R HN 0.423 nan 8.270 nan 0.000 0.432 395 S N 0.194 115.706 115.700 -0.313 0.000 2.585 395 S HA 0.197 4.667 4.470 -0.000 0.000 0.277 395 S C -0.297 174.175 174.600 -0.213 0.000 1.241 395 S CA -0.719 57.318 58.200 -0.273 0.000 1.041 395 S CB 1.802 64.843 63.200 -0.266 0.000 0.987 395 S HN 0.440 nan 8.310 nan 0.000 0.512 396 S N 1.108 116.667 115.700 -0.236 0.000 2.672 396 S HA 0.739 5.209 4.470 -0.000 0.000 0.276 396 S C -0.628 173.818 174.600 -0.257 0.000 1.207 396 S CA -0.628 57.460 58.200 -0.186 0.000 1.002 396 S CB 0.746 63.858 63.200 -0.147 0.000 0.998 396 S HN 0.432 nan 8.310 nan 0.000 0.542 397 V N 1.714 121.472 119.914 -0.259 0.000 2.623 397 V HA 0.472 4.592 4.120 -0.000 0.000 0.304 397 V C -0.521 175.502 176.094 -0.118 0.000 1.054 397 V CA -0.753 61.353 62.300 -0.323 0.000 0.882 397 V CB 1.876 33.276 31.823 -0.705 0.000 1.002 397 V HN 0.984 nan 8.190 nan 0.000 0.424 398 S N 5.052 120.700 115.700 -0.086 0.000 2.438 398 S HA 0.589 5.059 4.470 -0.000 0.000 0.293 398 S C -0.493 174.260 174.600 0.256 0.000 1.141 398 S CA -0.364 57.856 58.200 0.033 0.000 1.080 398 S CB 1.240 64.276 63.200 -0.273 0.000 0.978 398 S HN 0.583 nan 8.310 nan 0.000 0.479 399 L N 4.625 126.080 121.223 0.386 0.000 2.264 399 L HA 0.622 4.962 4.340 -0.000 0.000 0.287 399 L C 0.522 177.668 176.870 0.459 0.000 1.039 399 L CA 0.039 55.140 54.840 0.434 0.000 0.829 399 L CB 0.051 42.354 42.059 0.405 0.000 1.211 399 L HN 0.706 nan 8.230 nan 0.000 0.427 400 G N 3.733 112.806 108.800 0.454 0.000 2.547 400 G HA2 0.495 4.455 3.960 -0.000 0.000 0.291 400 G HA3 0.495 4.455 3.960 -0.000 0.000 0.291 400 G C -1.418 173.748 174.900 0.444 0.000 1.211 400 G CA -0.082 45.269 45.100 0.417 0.000 0.950 400 G HN 0.744 nan 8.290 nan 0.000 0.504 401 Y N -1.995 118.430 120.300 0.208 0.000 2.713 401 Y HA 0.774 5.324 4.550 -0.000 0.000 0.335 401 Y C -1.231 174.750 175.900 0.136 0.000 1.222 401 Y CA -1.727 56.491 58.100 0.197 0.000 1.061 401 Y CB 1.236 39.804 38.460 0.181 0.000 1.314 401 Y HN 0.788 nan 8.280 nan 0.000 0.453 402 I N 0.096 120.737 120.570 0.118 0.000 3.066 402 I HA 0.599 4.769 4.170 -0.000 0.000 0.307 402 I C 0.254 176.439 176.117 0.113 0.000 1.366 402 I CA -0.314 60.988 61.300 0.003 0.000 0.972 402 I CB 2.271 40.355 38.000 0.140 0.000 1.307 402 I HN 1.491 nan 8.210 nan 0.000 0.470 403 G N 4.851 113.680 108.800 0.048 0.000 2.272 403 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.280 403 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.280 403 G C 0.483 175.381 174.900 -0.003 0.000 1.067 403 G CA 0.594 45.690 45.100 -0.007 0.000 0.902 403 G HN 0.638 nan 8.290 nan 0.000 0.500 404 I N -0.899 119.723 120.570 0.086 0.000 2.286 404 I HA -0.185 3.985 4.170 -0.000 0.000 0.248 404 I C 2.443 178.588 176.117 0.045 0.000 1.115 404 I CA 1.826 63.179 61.300 0.089 0.000 1.392 404 I CB -0.206 37.880 38.000 0.142 0.000 1.065 404 I HN 0.546 nan 8.210 nan 0.000 0.418 405 H N 1.388 120.447 119.070 -0.019 0.000 2.290 405 H HA -0.231 4.324 4.556 -0.000 0.000 0.298 405 H C 1.991 177.272 175.328 -0.079 0.000 1.087 405 H CA 2.190 58.223 56.048 -0.024 0.000 1.291 405 H CB 0.009 29.771 29.762 0.002 0.000 1.369 405 H HN 0.193 nan 8.280 nan 0.000 0.492 406 E N -0.163 119.892 120.200 -0.241 0.000 2.204 406 E HA -0.067 4.283 4.350 -0.000 0.000 0.194 406 E C 2.192 178.593 176.600 -0.332 0.000 0.989 406 E CA 0.886 57.070 56.400 -0.361 0.000 0.824 406 E CB -0.274 29.182 29.700 -0.405 0.000 0.756 406 E HN 0.479 nan 8.360 nan 0.000 0.477 407 L N 0.751 121.825 121.223 -0.249 0.000 2.056 407 L HA -0.096 4.243 4.340 -0.000 0.000 0.207 407 L C 1.463 178.179 176.870 -0.257 0.000 1.078 407 L CA 1.621 56.336 54.840 -0.208 0.000 0.749 407 L CB -0.411 41.596 42.059 -0.086 0.000 0.901 407 L HN 0.007 nan 8.230 nan 0.000 0.433 408 N N 0.175 118.747 118.700 -0.214 0.000 2.104 408 N HA -0.193 4.547 4.740 -0.000 0.000 0.190 408 N C 1.929 177.282 175.510 -0.260 0.000 1.024 408 N CA 2.088 55.014 53.050 -0.207 0.000 0.853 408 N CB -0.355 38.057 38.487 -0.125 0.000 1.008 408 N HN 0.445 nan 8.380 nan 0.000 0.424 409 I N 0.620 121.008 120.570 -0.303 0.000 2.202 409 I HA -0.209 3.961 4.170 -0.000 0.000 0.242 409 I C 1.831 177.799 176.117 -0.249 0.000 1.091 409 I CA 0.801 61.936 61.300 -0.274 0.000 1.368 409 I CB -0.144 37.662 38.000 -0.323 0.000 1.058 409 I HN 0.045 nan 8.210 nan 0.000 0.410 410 L N 0.150 121.204 121.223 -0.281 0.000 2.275 410 L HA -0.121 4.219 4.340 -0.000 0.000 0.215 410 L C 2.144 178.742 176.870 -0.453 0.000 1.119 410 L CA 0.714 55.412 54.840 -0.237 0.000 0.790 410 L CB -0.422 41.496 42.059 -0.235 0.000 0.919 410 L HN 0.283 nan 8.230 nan 0.000 0.443 411 V N -4.643 114.864 119.914 -0.677 0.000 3.660 411 V HA 0.491 4.611 4.120 -0.000 0.000 0.276 411 V C 1.470 177.201 176.094 -0.605 0.000 1.317 411 V CA 0.488 62.096 62.300 -1.153 0.000 1.097 411 V CB 0.102 31.265 31.823 -1.100 0.000 0.863 411 V HN 0.408 nan 8.190 nan 0.000 0.438 412 G N 1.589 110.172 108.800 -0.363 0.000 2.179 412 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.260 412 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.260 412 G C 0.337 175.140 174.900 -0.162 0.000 0.977 412 G CA 0.653 45.625 45.100 -0.213 0.000 0.641 412 G HN 1.081 nan 8.290 nan 0.000 0.533 413 R N -0.749 119.644 120.500 -0.180 0.000 2.831 413 R HA 0.649 4.988 4.340 -0.000 0.000 0.266 413 R C -1.628 174.611 176.300 -0.102 0.000 1.051 413 R CA -0.546 55.486 56.100 -0.112 0.000 0.943 413 R CB 0.619 30.866 30.300 -0.088 0.000 1.228 413 R HN 0.060 nan 8.270 nan 0.000 0.467 414 D N 1.388 121.758 120.400 -0.050 0.000 2.380 414 D HA 0.194 4.834 4.640 -0.000 0.000 0.230 414 D C 0.558 176.851 176.300 -0.010 0.000 1.154 414 D CA -0.757 53.235 54.000 -0.013 0.000 0.859 414 D CB 0.733 41.553 40.800 0.035 0.000 1.045 414 D HN 0.607 nan 8.370 nan 0.000 0.495 415 I N 0.852 121.409 120.570 -0.020 0.000 3.974 415 I HA 0.432 4.602 4.170 -0.000 0.000 0.334 415 I C 1.559 177.701 176.117 0.041 0.000 1.437 415 I CA -0.757 60.533 61.300 -0.016 0.000 1.113 415 I CB 0.557 38.519 38.000 -0.064 0.000 1.063 415 I HN 0.347 nan 8.210 nan 0.000 0.400 416 G N 2.414 111.293 108.800 0.131 0.000 2.586 416 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.218 416 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.218 416 G C 1.712 176.768 174.900 0.260 0.000 1.216 416 G CA 1.076 46.347 45.100 0.286 0.000 0.786 416 G HN 0.411 nan 8.290 nan 0.000 0.583 417 R N 0.439 120.993 120.500 0.090 0.000 2.120 417 R HA -0.030 4.310 4.340 -0.000 0.000 0.234 417 R C 2.616 178.882 176.300 -0.055 0.000 1.123 417 R CA 1.542 57.560 56.100 -0.136 0.000 0.975 417 R CB -0.167 29.967 30.300 -0.277 0.000 0.866 417 R HN 0.436 nan 8.270 nan 0.000 0.446 418 E N 0.385 120.570 120.200 -0.025 0.000 2.051 418 E HA -0.136 4.214 4.350 -0.000 0.000 0.189 418 E C 1.720 178.297 176.600 -0.039 0.000 0.979 418 E CA 0.684 57.065 56.400 -0.033 0.000 0.803 418 E CB -0.170 29.509 29.700 -0.034 0.000 0.761 418 E HN 0.137 nan 8.360 nan 0.000 0.451 419 I N 0.357 120.900 120.570 -0.045 0.000 2.226 419 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 419 I C 1.593 177.694 176.117 -0.027 0.000 1.100 419 I CA 1.090 62.325 61.300 -0.108 0.000 1.374 419 I CB -0.112 37.841 38.000 -0.079 0.000 1.057 419 I HN 0.053 nan 8.210 nan 0.000 0.413 420 L N 0.156 121.368 121.223 -0.018 0.000 2.017 420 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 420 L C 2.587 179.462 176.870 0.008 0.000 1.073 420 L CA 2.203 57.020 54.840 -0.039 0.000 0.745 420 L CB -1.725 40.312 42.059 -0.037 0.000 0.894 420 L HN 0.223 nan 8.230 nan 0.000 0.432 421 T N -0.579 113.977 114.554 0.003 0.000 2.699 421 T HA -0.229 4.121 4.350 -0.000 0.000 0.268 421 T C 1.907 176.635 174.700 0.046 0.000 1.036 421 T CA 1.388 63.495 62.100 0.011 0.000 1.147 421 T CB -0.087 68.774 68.868 -0.012 0.000 0.862 421 T HN 0.320 nan 8.240 nan 0.000 0.446 422 K N 0.480 120.924 120.400 0.073 0.000 2.097 422 K HA 0.077 4.397 4.320 -0.000 0.000 0.205 422 K C 2.385 179.155 176.600 0.283 0.000 1.050 422 K CA 1.029 57.420 56.287 0.173 0.000 0.938 422 K CB -0.209 32.396 32.500 0.175 0.000 0.718 422 K HN 0.384 nan 8.250 nan 0.000 0.442 423 M N 0.909 120.642 119.600 0.222 0.000 2.117 423 M HA -0.154 4.326 4.480 -0.000 0.000 0.262 423 M C 1.699 178.000 176.300 0.001 0.000 1.065 423 M CA 1.264 56.635 55.300 0.118 0.000 1.114 423 M CB -0.442 32.208 32.600 0.082 0.000 1.361 423 M HN 0.101 nan 8.290 nan 0.000 0.408 424 N N 0.968 119.682 118.700 0.025 0.000 2.094 424 N HA -0.127 4.613 4.740 -0.000 0.000 0.191 424 N C 1.688 177.183 175.510 -0.025 0.000 1.023 424 N CA 1.823 54.875 53.050 0.004 0.000 0.857 424 N CB -0.383 38.124 38.487 0.034 0.000 1.013 424 N HN 0.358 nan 8.380 nan 0.000 0.426 425 A N 0.674 123.495 122.820 0.002 0.000 1.933 425 A HA -0.150 4.169 4.320 -0.000 0.000 0.218 425 A C 1.921 179.426 177.584 -0.132 0.000 1.175 425 A CA 1.128 53.138 52.037 -0.045 0.000 0.628 425 A CB -0.685 18.294 19.000 -0.035 0.000 0.814 425 A HN 0.409 nan 8.150 nan 0.000 0.444 426 H N -1.244 117.683 119.070 -0.238 0.000 2.357 426 H HA -0.073 4.483 4.556 -0.000 0.000 0.301 426 H C 1.962 176.785 175.328 -0.841 0.000 1.082 426 H CA 1.539 57.312 56.048 -0.459 0.000 1.342 426 H CB -0.085 29.354 29.762 -0.537 0.000 1.389 426 H HN 0.328 nan 8.280 nan 0.000 0.511 427 L N 1.500 122.350 121.223 -0.623 0.000 2.042 427 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 427 L C 2.544 179.342 176.870 -0.121 0.000 1.076 427 L CA 1.504 56.026 54.840 -0.531 0.000 0.749 427 L CB -0.765 41.168 42.059 -0.209 0.000 0.893 427 L HN 0.150 nan 8.230 nan 0.000 0.432 428 K N -0.813 119.550 120.400 -0.063 0.000 2.032 428 K HA -0.221 4.099 4.320 -0.000 0.000 0.209 428 K C 2.011 178.648 176.600 0.061 0.000 1.048 428 K CA 1.591 57.900 56.287 0.035 0.000 0.927 428 K CB 0.007 32.514 32.500 0.012 0.000 0.712 428 K HN 0.458 nan 8.250 nan 0.000 0.441 429 Q N -0.759 119.041 119.800 -0.001 0.000 2.119 429 Q HA -0.177 4.163 4.340 -0.000 0.000 0.201 429 Q C 1.969 178.086 176.000 0.194 0.000 0.972 429 Q CA 1.325 57.164 55.803 0.060 0.000 0.847 429 Q CB -0.172 28.572 28.738 0.010 0.000 0.903 429 Q HN 0.439 nan 8.270 nan 0.000 0.433 430 W N 1.232 122.489 121.300 -0.071 0.000 2.335 430 W HA -0.116 4.544 4.660 -0.000 0.000 0.311 430 W C 2.380 179.036 176.519 0.228 0.000 1.213 430 W CA 1.183 58.469 57.345 -0.099 0.000 1.274 430 W CB -1.304 27.881 29.460 -0.458 0.000 1.148 430 W HN 0.107 nan 8.180 nan 0.000 0.498 431 T N 0.270 115.158 114.554 0.557 0.000 2.720 431 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 431 T C 1.512 176.412 174.700 0.332 0.000 1.037 431 T CA 1.965 64.384 62.100 0.531 0.000 1.144 431 T CB -0.273 68.833 68.868 0.396 0.000 0.864 431 T HN 0.224 nan 8.240 nan 0.000 0.444 432 E N 0.271 120.614 120.200 0.238 0.000 2.150 432 E HA -0.021 4.328 4.350 -0.000 0.000 0.193 432 E C 2.458 179.154 176.600 0.159 0.000 0.985 432 E CA 0.443 56.940 56.400 0.161 0.000 0.814 432 E CB -0.008 29.758 29.700 0.109 0.000 0.752 432 E HN 0.180 nan 8.360 nan 0.000 0.466 433 R N 0.387 121.000 120.500 0.190 0.000 2.153 433 R HA -0.062 4.278 4.340 -0.000 0.000 0.218 433 R C 1.744 178.182 176.300 0.230 0.000 1.072 433 R CA 1.760 57.960 56.100 0.167 0.000 0.990 433 R CB 0.179 30.549 30.300 0.117 0.000 0.889 433 R HN 0.278 nan 8.270 nan 0.000 0.452 434 T N -6.022 108.731 114.554 0.332 0.000 2.954 434 T HA 0.227 4.577 4.350 -0.000 0.000 0.252 434 T C 1.220 176.040 174.700 0.201 0.000 0.983 434 T CA 0.644 62.973 62.100 0.382 0.000 0.941 434 T CB 0.999 70.291 68.868 0.707 0.000 1.141 434 T HN 0.252 nan 8.240 nan 0.000 0.500 435 G N 1.166 110.070 108.800 0.175 0.000 2.199 435 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.254 435 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.254 435 G C -0.148 174.689 174.900 -0.104 0.000 0.982 435 G CA -0.118 44.978 45.100 -0.006 0.000 0.632 435 G HN 0.544 nan 8.290 nan 0.000 0.529 436 F N 1.483 121.554 119.950 0.202 0.000 2.384 436 F HA 0.636 5.163 4.527 -0.000 0.000 0.338 436 F C 1.002 176.829 175.800 0.044 0.000 1.103 436 F CA -0.154 57.862 58.000 0.027 0.000 1.157 436 F CB 1.575 40.473 39.000 -0.170 0.000 1.167 436 F HN 0.238 nan 8.300 nan 0.000 0.529 437 A N 5.058 127.949 122.820 0.117 0.000 2.805 437 A HA 0.360 4.680 4.320 -0.000 0.000 0.301 437 A C -0.649 176.974 177.584 0.064 0.000 1.557 437 A CA -0.309 51.804 52.037 0.128 0.000 1.254 437 A CB -1.374 17.670 19.000 0.074 0.000 1.114 437 A HN 0.553 nan 8.150 nan 0.000 0.553 438 F N 2.099 122.197 119.950 0.247 0.000 2.443 438 F HA 0.389 4.916 4.527 -0.000 0.000 0.353 438 F C 1.235 177.137 175.800 0.171 0.000 1.101 438 F CA 0.950 59.099 58.000 0.248 0.000 1.226 438 F CB 1.279 40.513 39.000 0.388 0.000 1.140 438 F HN 0.565 nan 8.300 nan 0.000 0.557 439 S N 3.742 119.626 115.700 0.306 0.000 2.588 439 S HA 0.575 5.045 4.470 -0.000 0.000 0.275 439 S C -1.256 173.515 174.600 0.285 0.000 1.130 439 S CA -1.137 57.212 58.200 0.249 0.000 0.855 439 S CB 1.542 64.859 63.200 0.194 0.000 1.116 439 S HN 0.602 nan 8.310 nan 0.000 0.472 440 L N 2.744 124.138 121.223 0.285 0.000 2.319 440 L HA 0.435 4.775 4.340 -0.000 0.000 0.280 440 L C -1.501 175.659 176.870 0.484 0.000 1.099 440 L CA -0.460 54.590 54.840 0.349 0.000 0.828 440 L CB 0.673 42.887 42.059 0.258 0.000 1.150 440 L HN 0.911 nan 8.230 nan 0.000 0.442 441 Y N 3.114 123.624 120.300 0.351 0.000 2.350 441 Y HA 0.258 4.808 4.550 -0.000 0.000 0.338 441 Y C -0.017 175.985 175.900 0.169 0.000 0.961 441 Y CA -0.928 57.318 58.100 0.243 0.000 1.100 441 Y CB 1.707 40.236 38.460 0.115 0.000 1.179 441 Y HN 0.472 nan 8.280 nan 0.000 0.454 442 S N 4.880 120.393 115.700 -0.312 0.000 3.530 442 S HA 0.092 4.562 4.470 -0.000 0.000 0.279 442 S C -0.150 173.849 174.600 -1.002 0.000 1.280 442 S CA -0.333 57.479 58.200 -0.647 0.000 0.946 442 S CB -0.808 62.228 63.200 -0.274 0.000 1.501 442 S HN 0.735 nan 8.310 nan 0.000 0.498 443 T N 5.174 119.167 114.554 -0.935 0.000 2.819 443 T HA -0.009 4.341 4.350 -0.000 0.000 0.282 443 T C -1.395 172.994 174.700 -0.518 0.000 1.013 443 T CA -0.559 61.122 62.100 -0.697 0.000 1.159 443 T CB 0.186 68.900 68.868 -0.257 0.000 1.007 443 T HN 0.274 nan 8.240 nan 0.000 0.514 444 P HA -0.027 nan 4.420 nan 0.000 0.215 444 P C 0.780 177.946 177.300 -0.223 0.000 1.153 444 P CA 1.312 64.230 63.100 -0.304 0.000 0.853 444 P CB -0.089 31.461 31.700 -0.250 0.000 0.788 445 A N -0.707 122.032 122.820 -0.134 0.000 2.466 445 A HA -0.279 4.041 4.320 -0.000 0.000 0.295 445 A C 1.428 178.935 177.584 -0.129 0.000 1.465 445 A CA 1.091 53.062 52.037 -0.111 0.000 0.744 445 A CB -2.313 16.598 19.000 -0.148 0.000 1.098 445 A HN 0.263 nan 8.150 nan 0.000 0.402 446 E N 0.515 120.689 120.200 -0.045 0.000 2.110 446 E HA -0.149 4.200 4.350 -0.000 0.000 0.193 446 E C 1.724 178.319 176.600 -0.007 0.000 0.988 446 E CA 2.094 58.497 56.400 0.006 0.000 0.804 446 E CB -0.042 29.779 29.700 0.202 0.000 0.745 446 E HN 0.806 nan 8.360 nan 0.000 0.458 447 N N -0.738 117.960 118.700 -0.003 0.000 2.463 447 N HA -0.037 4.703 4.740 -0.000 0.000 0.183 447 N C 1.518 176.950 175.510 -0.131 0.000 1.064 447 N CA 0.144 53.208 53.050 0.024 0.000 0.879 447 N CB -0.117 38.397 38.487 0.044 0.000 1.148 447 N HN 0.126 nan 8.380 nan 0.000 0.451 448 L N 2.763 123.825 121.223 -0.267 0.000 2.127 448 L HA -0.125 4.215 4.340 -0.000 0.000 0.211 448 L C 2.571 179.213 176.870 -0.379 0.000 1.089 448 L CA 1.299 55.833 54.840 -0.510 0.000 0.757 448 L CB -0.921 40.754 42.059 -0.640 0.000 0.899 448 L HN 0.369 nan 8.230 nan 0.000 0.434 449 C N -2.050 117.076 119.300 -0.289 0.000 2.411 449 C HA -0.188 4.272 4.460 -0.000 0.000 0.279 449 C C 2.409 177.222 174.990 -0.296 0.000 1.288 449 C CA 0.551 59.419 59.018 -0.250 0.000 1.764 449 C CB -1.769 25.765 27.740 -0.342 0.000 1.974 449 C HN 0.564 nan 8.230 nan 0.000 0.498 450 Y N 1.143 121.418 120.300 -0.042 0.000 2.262 450 Y HA 0.147 4.696 4.550 -0.000 0.000 0.295 450 Y C 2.926 178.764 175.900 -0.104 0.000 1.121 450 Y CA 1.284 59.361 58.100 -0.038 0.000 1.144 450 Y CB -0.904 37.542 38.460 -0.022 0.000 1.043 450 Y HN 0.220 nan 8.280 nan 0.000 0.528 451 R N -0.390 120.100 120.500 -0.016 0.000 2.091 451 R HA -0.182 4.158 4.340 -0.000 0.000 0.238 451 R C 1.776 178.061 176.300 -0.025 0.000 1.136 451 R CA 1.663 57.712 56.100 -0.086 0.000 0.959 451 R CB -0.455 29.696 30.300 -0.250 0.000 0.856 451 R HN 0.191 nan 8.270 nan 0.000 0.437 452 F N 0.338 120.194 119.950 -0.157 0.000 2.128 452 F HA -0.165 4.362 4.527 -0.000 0.000 0.295 452 F C 2.670 178.305 175.800 -0.275 0.000 1.100 452 F CA 0.609 58.532 58.000 -0.128 0.000 1.260 452 F CB -1.296 37.706 39.000 0.004 0.000 1.009 452 F HN 0.178 nan 8.300 nan 0.000 0.476 453 C N 0.811 119.867 119.300 -0.406 0.000 2.413 453 C HA -0.182 4.278 4.460 -0.000 0.000 0.276 453 C C 2.974 177.878 174.990 -0.144 0.000 1.236 453 C CA 1.414 60.082 59.018 -0.583 0.000 1.735 453 C CB -1.057 26.318 27.740 -0.607 0.000 2.031 453 C HN 0.348 nan 8.230 nan 0.000 0.474 454 K N 0.390 120.763 120.400 -0.046 0.000 2.148 454 K HA -0.059 4.261 4.320 -0.000 0.000 0.204 454 K C 1.911 178.527 176.600 0.026 0.000 1.050 454 K CA 1.576 57.867 56.287 0.007 0.000 0.942 454 K CB -0.481 32.033 32.500 0.024 0.000 0.724 454 K HN 0.602 nan 8.250 nan 0.000 0.446 455 L N 0.720 121.974 121.223 0.051 0.000 2.270 455 L HA -0.093 4.247 4.340 -0.000 0.000 0.210 455 L C 1.736 178.656 176.870 0.083 0.000 1.104 455 L CA 0.701 55.581 54.840 0.066 0.000 0.804 455 L CB -0.211 41.907 42.059 0.099 0.000 0.937 455 L HN 0.019 nan 8.230 nan 0.000 0.450 456 D N -0.729 119.740 120.400 0.116 0.000 2.183 456 D HA -0.119 4.521 4.640 -0.000 0.000 0.203 456 D C 2.156 178.570 176.300 0.190 0.000 0.969 456 D CA 1.166 55.288 54.000 0.204 0.000 0.842 456 D CB -0.027 40.937 40.800 0.274 0.000 0.957 456 D HN 0.133 nan 8.370 nan 0.000 0.484 457 T N 0.790 115.406 114.554 0.104 0.000 2.867 457 T HA -0.084 4.266 4.350 -0.000 0.000 0.268 457 T C 1.514 176.237 174.700 0.037 0.000 1.057 457 T CA 0.773 62.919 62.100 0.076 0.000 1.136 457 T CB -0.079 68.812 68.868 0.039 0.000 0.874 457 T HN 0.280 nan 8.240 nan 0.000 0.466 458 E N 0.487 120.697 120.200 0.017 0.000 2.409 458 E HA -0.070 4.280 4.350 -0.000 0.000 0.198 458 E C 2.037 178.601 176.600 -0.059 0.000 1.024 458 E CA 0.643 57.035 56.400 -0.013 0.000 0.861 458 E CB 0.082 29.776 29.700 -0.010 0.000 0.788 458 E HN 0.394 nan 8.360 nan 0.000 0.521 459 K N -0.732 119.607 120.400 -0.102 0.000 2.387 459 K HA 0.034 4.354 4.320 -0.000 0.000 0.197 459 K C 0.627 176.966 176.600 -0.434 0.000 1.127 459 K CA 0.255 56.359 56.287 -0.305 0.000 0.950 459 K CB 0.558 32.792 32.500 -0.443 0.000 1.017 459 K HN 0.012 nan 8.250 nan 0.000 0.519 460 Y N -0.204 120.102 120.300 0.010 0.000 2.471 460 Y HA 0.310 4.860 4.550 -0.000 0.000 0.249 460 Y C 0.833 176.729 175.900 -0.007 0.000 1.116 460 Y CA 0.115 58.214 58.100 -0.002 0.000 1.240 460 Y CB 1.311 39.761 38.460 -0.017 0.000 1.251 460 Y HN 0.260 nan 8.280 nan 0.000 0.527 461 G N 0.582 109.446 108.800 0.108 0.000 2.601 461 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.252 461 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.252 461 G C -0.070 174.868 174.900 0.064 0.000 1.294 461 G CA -0.136 45.004 45.100 0.066 0.000 0.912 461 G HN 0.283 nan 8.290 nan 0.000 0.574 462 S N -0.775 114.947 115.700 0.037 0.000 2.465 462 S HA 0.469 4.938 4.470 -0.000 0.000 0.280 462 S C 0.183 174.789 174.600 0.011 0.000 1.232 462 S CA 0.009 58.220 58.200 0.019 0.000 1.066 462 S CB 0.203 63.409 63.200 0.009 0.000 0.929 462 S HN 1.312 nan 8.310 nan 0.000 0.494 463 V N 7.499 127.411 119.914 -0.004 0.000 2.409 463 V HA 0.357 4.477 4.120 -0.000 0.000 0.291 463 V C 0.405 176.471 176.094 -0.047 0.000 1.020 463 V CA -0.997 61.281 62.300 -0.037 0.000 0.848 463 V CB 1.589 33.366 31.823 -0.078 0.000 0.990 463 V HN 0.828 nan 8.190 nan 0.000 0.430 464 K N 4.048 124.421 120.400 -0.045 0.000 2.491 464 K HA -0.053 4.267 4.320 -0.000 0.000 0.279 464 K C 0.455 177.018 176.600 -0.061 0.000 1.026 464 K CA 0.751 57.012 56.287 -0.043 0.000 1.070 464 K CB 0.107 32.589 32.500 -0.030 0.000 0.887 464 K HN 0.854 nan 8.250 nan 0.000 0.481 465 D N 1.107 121.472 120.400 -0.058 0.000 2.837 465 D HA -0.197 4.443 4.640 -0.000 0.000 0.195 465 D C 0.744 176.994 176.300 -0.085 0.000 1.033 465 D CA 1.262 55.225 54.000 -0.062 0.000 1.021 465 D CB -0.771 39.992 40.800 -0.062 0.000 1.101 465 D HN 0.340 nan 8.370 nan 0.000 0.431 466 V N 0.057 119.922 119.914 -0.081 0.000 3.405 466 V HA 0.039 4.159 4.120 -0.000 0.000 0.211 466 V C 2.377 178.518 176.094 0.079 0.000 1.151 466 V CA 1.583 63.854 62.300 -0.047 0.000 1.323 466 V CB -0.167 31.595 31.823 -0.103 0.000 1.357 466 V HN 0.321 nan 8.190 nan 0.000 0.506 467 T N -1.116 113.483 114.554 0.075 0.000 3.081 467 T HA -0.056 4.294 4.350 -0.000 0.000 0.250 467 T C 1.353 176.032 174.700 -0.036 0.000 1.100 467 T CA 0.781 62.915 62.100 0.057 0.000 1.038 467 T CB -0.292 68.620 68.868 0.074 0.000 0.962 467 T HN 0.577 nan 8.240 nan 0.000 0.516 468 D N 3.525 123.892 120.400 -0.056 0.000 2.097 468 D HA -0.244 4.395 4.640 -0.000 0.000 0.195 468 D C 1.890 178.131 176.300 -0.098 0.000 0.989 468 D CA 1.573 55.536 54.000 -0.061 0.000 0.827 468 D CB -0.498 40.270 40.800 -0.052 0.000 0.966 468 D HN 0.673 nan 8.370 nan 0.000 0.456 469 K N -0.562 119.709 120.400 -0.215 0.000 2.362 469 K HA 0.041 4.361 4.320 -0.000 0.000 0.200 469 K C 1.639 178.086 176.600 -0.256 0.000 1.046 469 K CA 1.226 57.298 56.287 -0.359 0.000 0.952 469 K CB -0.285 31.723 32.500 -0.821 0.000 0.753 469 K HN 0.316 nan 8.250 nan 0.000 0.466 470 G N 0.730 109.441 108.800 -0.148 0.000 2.213 470 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.236 470 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.236 470 G C -0.291 174.754 174.900 0.242 0.000 0.991 470 G CA 0.241 45.395 45.100 0.090 0.000 0.629 470 G HN 0.604 nan 8.290 nan 0.000 0.517 471 W N -0.719 120.606 121.300 0.043 0.000 3.075 471 W HA 0.824 5.484 4.660 -0.000 0.000 0.334 471 W C -1.169 175.352 176.519 0.002 0.000 1.243 471 W CA -2.628 54.651 57.345 -0.111 0.000 1.170 471 W CB 0.644 29.953 29.460 -0.252 0.000 1.452 471 W HN 0.020 nan 8.180 nan 0.000 0.572 472 Y N 1.385 121.772 120.300 0.145 0.000 2.376 472 Y HA 0.512 5.062 4.550 -0.000 0.000 0.325 472 Y C 0.930 176.974 175.900 0.241 0.000 1.199 472 Y CA -1.970 56.183 58.100 0.088 0.000 1.206 472 Y CB 1.316 39.834 38.460 0.097 0.000 1.229 472 Y HN 0.384 nan 8.280 nan 0.000 0.480 473 T N 2.221 116.980 114.554 0.341 0.000 2.919 473 T HA 0.021 4.371 4.350 -0.000 0.000 0.302 473 T C 0.184 174.917 174.700 0.055 0.000 1.031 473 T CA -0.436 61.809 62.100 0.240 0.000 1.127 473 T CB 0.008 68.980 68.868 0.173 0.000 0.952 473 T HN 0.537 nan 8.240 nan 0.000 0.540 474 N N 1.849 120.483 118.700 -0.109 0.000 2.492 474 N HA 0.151 4.891 4.740 -0.000 0.000 0.262 474 N C 1.253 176.383 175.510 -0.634 0.000 1.202 474 N CA 0.761 53.571 53.050 -0.401 0.000 0.926 474 N CB 0.423 38.576 38.487 -0.557 0.000 1.078 474 N HN 0.772 nan 8.380 nan 0.000 0.454 475 S N 3.154 118.486 115.700 -0.612 0.000 4.152 475 S HA -0.388 4.082 4.470 -0.000 0.000 0.538 475 S C 0.885 175.361 174.600 -0.207 0.000 1.066 475 S CA 2.094 59.928 58.200 -0.609 0.000 3.499 475 S CB -1.413 61.212 63.200 -0.958 0.000 2.223 475 S HN 0.891 nan 8.310 nan 0.000 0.462 476 F N 1.134 121.022 119.950 -0.104 0.000 2.654 476 F HA 0.563 5.090 4.527 -0.000 0.000 0.303 476 F C 0.818 176.555 175.800 -0.104 0.000 1.099 476 F CA -0.968 56.868 58.000 -0.273 0.000 1.270 476 F CB -1.245 37.243 39.000 -0.854 0.000 1.024 476 F HN 0.486 nan 8.300 nan 0.000 0.548 477 H N 1.357 120.235 119.070 -0.321 0.000 2.871 477 H HA 0.283 4.839 4.556 -0.000 0.000 0.355 477 H C 0.308 175.634 175.328 -0.005 0.000 1.092 477 H CA -0.323 55.658 56.048 -0.111 0.000 1.420 477 H CB 1.733 31.397 29.762 -0.163 0.000 1.400 477 H HN 0.218 nan 8.280 nan 0.000 0.604 478 V N 2.314 122.319 119.914 0.152 0.000 2.555 478 V HA 0.069 4.189 4.120 -0.000 0.000 0.286 478 V C 0.670 176.748 176.094 -0.026 0.000 1.044 478 V CA -0.449 61.891 62.300 0.067 0.000 1.026 478 V CB 1.314 33.184 31.823 0.078 0.000 0.981 478 V HN 0.811 nan 8.190 nan 0.000 0.480 479 S N 4.308 119.853 115.700 -0.258 0.000 2.549 479 S HA 0.130 4.600 4.470 -0.000 0.000 0.278 479 S C 0.755 175.300 174.600 -0.091 0.000 1.344 479 S CA -0.002 58.019 58.200 -0.298 0.000 1.025 479 S CB 0.726 63.438 63.200 -0.813 0.000 0.851 479 S HN 1.879 nan 8.310 nan 0.000 0.530 480 V N 1.888 121.815 119.914 0.022 0.000 3.981 480 V HA 0.234 4.354 4.120 -0.000 0.000 0.186 480 V C 0.833 176.947 176.094 0.033 0.000 0.946 480 V CA 0.674 63.003 62.300 0.049 0.000 1.145 480 V CB -1.592 30.289 31.823 0.097 0.000 1.023 480 V HN 1.027 nan 8.190 nan 0.000 0.347 481 E N 0.349 120.589 120.200 0.067 0.000 2.170 481 E HA -0.239 4.111 4.350 -0.000 0.000 0.214 481 E C -0.091 176.525 176.600 0.027 0.000 1.344 481 E CA 1.034 57.467 56.400 0.055 0.000 0.714 481 E CB -1.490 28.253 29.700 0.072 0.000 1.112 481 E HN 0.724 nan 8.360 nan 0.000 0.350 482 E N 0.980 121.192 120.200 0.020 0.000 2.432 482 E HA 0.070 4.420 4.350 -0.000 0.000 0.272 482 E C -0.828 175.788 176.600 0.028 0.000 0.937 482 E CA -0.534 55.879 56.400 0.021 0.000 0.812 482 E CB 0.810 30.513 29.700 0.006 0.000 1.377 482 E HN 0.095 nan 8.360 nan 0.000 0.399 483 N N 5.302 124.020 118.700 0.030 0.000 2.657 483 N HA -0.025 4.715 4.740 -0.000 0.000 0.308 483 N C -0.714 174.817 175.510 0.036 0.000 1.212 483 N CA 0.462 53.531 53.050 0.031 0.000 1.157 483 N CB -0.153 38.352 38.487 0.029 0.000 1.462 483 N HN 0.421 nan 8.380 nan 0.000 0.509 484 I N 1.416 122.009 120.570 0.038 0.000 2.493 484 I HA 0.171 4.340 4.170 -0.000 0.000 0.298 484 I C 1.142 177.289 176.117 0.049 0.000 0.998 484 I CA -0.678 60.651 61.300 0.048 0.000 1.137 484 I CB 1.405 39.438 38.000 0.055 0.000 1.310 484 I HN 0.199 nan 8.210 nan 0.000 0.445 485 T N 2.486 117.078 114.554 0.064 0.000 2.868 485 T HA 0.282 4.632 4.350 -0.000 0.000 0.292 485 T C -1.898 172.827 174.700 0.042 0.000 1.028 485 T CA -1.288 60.857 62.100 0.074 0.000 1.059 485 T CB 1.163 70.111 68.868 0.134 0.000 0.991 485 T HN 0.318 nan 8.240 nan 0.000 0.531 486 P HA -0.061 nan 4.420 nan 0.000 0.215 486 P C 1.075 178.223 177.300 -0.254 0.000 1.157 486 P CA 1.299 64.272 63.100 -0.213 0.000 0.874 486 P CB -0.163 31.257 31.700 -0.466 0.000 0.790 487 F N -0.827 119.111 119.950 -0.020 0.000 2.325 487 F HA -0.068 4.459 4.527 -0.000 0.000 0.299 487 F C 2.423 178.274 175.800 0.086 0.000 1.090 487 F CA 0.870 58.801 58.000 -0.116 0.000 1.392 487 F CB -0.936 37.684 39.000 -0.632 0.000 1.053 487 F HN -0.073 nan 8.300 nan 0.000 0.521 488 E N 1.231 121.548 120.200 0.195 0.000 2.046 488 E HA -0.169 4.180 4.350 -0.000 0.000 0.190 488 E C 2.114 178.798 176.600 0.140 0.000 0.982 488 E CA 1.328 57.818 56.400 0.151 0.000 0.800 488 E CB -0.209 29.557 29.700 0.110 0.000 0.756 488 E HN 0.246 nan 8.360 nan 0.000 0.449 489 K N -0.046 120.426 120.400 0.120 0.000 2.057 489 K HA -0.080 4.240 4.320 -0.000 0.000 0.207 489 K C 2.166 178.855 176.600 0.149 0.000 1.049 489 K CA 1.440 57.799 56.287 0.120 0.000 0.931 489 K CB -0.192 32.364 32.500 0.095 0.000 0.714 489 K HN 0.196 nan 8.250 nan 0.000 0.440 490 I N 0.107 120.774 120.570 0.162 0.000 2.252 490 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 490 I C 2.464 178.640 176.117 0.098 0.000 1.102 490 I CA 0.901 62.288 61.300 0.144 0.000 1.385 490 I CB -0.228 37.876 38.000 0.173 0.000 1.064 490 I HN 0.204 nan 8.210 nan 0.000 0.414 491 S N 0.448 116.237 115.700 0.148 0.000 2.402 491 S HA -0.099 4.371 4.470 -0.000 0.000 0.229 491 S C 2.168 176.799 174.600 0.051 0.000 1.021 491 S CA 1.060 59.281 58.200 0.034 0.000 0.974 491 S CB -0.093 63.157 63.200 0.083 0.000 0.800 491 S HN 0.286 nan 8.310 nan 0.000 0.484 492 R N 0.546 121.113 120.500 0.113 0.000 2.090 492 R HA 0.035 4.375 4.340 -0.000 0.000 0.228 492 R C 2.006 178.452 176.300 0.243 0.000 1.110 492 R CA 1.280 57.474 56.100 0.156 0.000 0.973 492 R CB -0.249 30.153 30.300 0.170 0.000 0.869 492 R HN 0.584 nan 8.270 nan 0.000 0.440 493 E N 0.207 120.550 120.200 0.238 0.000 2.250 493 E HA 0.041 4.391 4.350 -0.000 0.000 0.192 493 E C 1.947 178.658 176.600 0.184 0.000 0.986 493 E CA 0.452 57.055 56.400 0.339 0.000 0.849 493 E CB 0.065 30.018 29.700 0.423 0.000 0.797 493 E HN 0.230 nan 8.360 nan 0.000 0.482 494 A N 2.482 125.316 122.820 0.025 0.000 1.940 494 A HA -0.181 4.139 4.320 -0.000 0.000 0.221 494 A C -0.313 177.302 177.584 0.052 0.000 1.190 494 A CA 1.564 53.541 52.037 -0.100 0.000 0.647 494 A CB -1.500 17.482 19.000 -0.031 0.000 0.821 494 A HN 0.163 nan 8.150 nan 0.000 0.457 495 P HA -0.104 nan 4.420 nan 0.000 0.223 495 P C 0.697 177.934 177.300 -0.106 0.000 1.151 495 P CA 0.866 63.947 63.100 -0.031 0.000 0.787 495 P CB -0.184 31.377 31.700 -0.232 0.000 0.788 496 Y N -1.310 118.861 120.300 -0.215 0.000 2.352 496 Y HA -0.159 4.391 4.550 -0.000 0.000 0.292 496 Y C 2.486 178.151 175.900 -0.392 0.000 1.136 496 Y CA 1.251 59.072 58.100 -0.465 0.000 1.227 496 Y CB -1.167 36.519 38.460 -1.290 0.000 0.991 496 Y HN 0.253 nan 8.280 nan 0.000 0.545 497 H N -2.105 116.708 119.070 -0.429 0.000 2.457 497 H HA -0.109 4.447 4.556 -0.000 0.000 0.294 497 H C 1.070 175.886 175.328 -0.854 0.000 1.064 497 H CA 1.078 56.621 56.048 -0.842 0.000 1.330 497 H CB -0.153 29.120 29.762 -0.816 0.000 1.395 497 H HN 0.350 nan 8.280 nan 0.000 0.541 498 F N -0.311 119.538 119.950 -0.168 0.000 2.776 498 F HA 0.110 4.637 4.527 -0.000 0.000 0.300 498 F C 1.914 177.663 175.800 -0.084 0.000 1.116 498 F CA 0.228 58.155 58.000 -0.121 0.000 1.375 498 F CB 0.207 39.142 39.000 -0.108 0.000 1.109 498 F HN 0.064 nan 8.300 nan 0.000 0.585 499 I N -0.683 119.909 120.570 0.036 0.000 2.900 499 I HA 0.128 4.298 4.170 -0.000 0.000 0.251 499 I C 1.550 177.731 176.117 0.107 0.000 1.102 499 I CA 0.179 61.508 61.300 0.049 0.000 1.457 499 I CB -0.416 37.581 38.000 -0.006 0.000 1.285 499 I HN -0.118 nan 8.210 nan 0.000 0.459 500 A N 1.733 124.657 122.820 0.173 0.000 3.026 500 A HA 0.152 4.471 4.320 -0.000 0.000 0.272 500 A C 1.510 179.338 177.584 0.407 0.000 1.782 500 A CA 0.287 52.528 52.037 0.340 0.000 1.451 500 A CB -1.050 18.287 19.000 0.563 0.000 1.081 500 A HN 0.543 nan 8.150 nan 0.000 0.611 501 T N -1.574 113.155 114.554 0.291 0.000 2.962 501 T HA -0.063 4.287 4.350 -0.000 0.000 0.270 501 T C 1.677 176.606 174.700 0.381 0.000 1.088 501 T CA 1.469 63.748 62.100 0.298 0.000 1.127 501 T CB -0.186 68.788 68.868 0.177 0.000 0.883 501 T HN 0.536 nan 8.240 nan 0.000 0.493 502 G N 0.751 109.774 108.800 0.372 0.000 2.598 502 G HA2 0.456 4.416 3.960 -0.000 0.000 0.215 502 G HA3 0.456 4.416 3.960 -0.000 0.000 0.215 502 G C 0.589 175.745 174.900 0.428 0.000 1.131 502 G CA 0.086 45.393 45.100 0.345 0.000 0.785 502 G HN 1.025 nan 8.290 nan 0.000 0.539 503 G N -0.061 109.024 108.800 0.475 0.000 2.387 503 G HA2 0.518 4.478 3.960 -0.000 0.000 0.309 503 G HA3 0.518 4.478 3.960 -0.000 0.000 0.309 503 G C -1.301 173.663 174.900 0.107 0.000 1.641 503 G CA -0.545 44.721 45.100 0.276 0.000 0.904 503 G HN 0.735 nan 8.290 nan 0.000 0.661 504 H N 0.177 119.419 119.070 0.286 0.000 3.024 504 H HA 0.771 5.327 4.556 -0.000 0.000 0.324 504 H C -1.865 173.483 175.328 0.033 0.000 1.347 504 H CA -0.823 55.307 56.048 0.138 0.000 1.182 504 H CB 1.916 31.725 29.762 0.078 0.000 1.889 504 H HN 0.862 nan 8.280 nan 0.000 0.528 505 I N 0.549 121.118 120.570 -0.002 0.000 2.984 505 I HA 0.440 4.610 4.170 -0.000 0.000 0.303 505 I C -1.276 174.778 176.117 -0.105 0.000 1.381 505 I CA -0.370 60.788 61.300 -0.236 0.000 0.988 505 I CB 2.463 39.992 38.000 -0.786 0.000 1.307 505 I HN 0.664 nan 8.210 nan 0.000 0.460 506 S N 3.411 119.037 115.700 -0.123 0.000 2.557 506 S HA 0.672 5.142 4.470 -0.000 0.000 0.291 506 S C -1.634 172.719 174.600 -0.412 0.000 1.116 506 S CA -0.324 57.816 58.200 -0.100 0.000 0.992 506 S CB 1.330 64.769 63.200 0.399 0.000 1.028 506 S HN 0.370 nan 8.310 nan 0.000 0.484 507 Y N 0.790 120.918 120.300 -0.287 0.000 2.468 507 Y HA 0.723 5.273 4.550 -0.000 0.000 0.342 507 Y C 0.003 175.797 175.900 -0.176 0.000 1.021 507 Y CA -1.058 56.823 58.100 -0.364 0.000 1.079 507 Y CB 1.311 39.564 38.460 -0.345 0.000 1.226 507 Y HN 0.338 nan 8.280 nan 0.000 0.460 508 V N 2.704 122.619 119.914 0.003 0.000 2.709 508 V HA 0.372 4.492 4.120 -0.000 0.000 0.308 508 V C -0.733 175.350 176.094 -0.019 0.000 1.062 508 V CA -0.981 61.356 62.300 0.062 0.000 0.901 508 V CB 2.084 34.041 31.823 0.222 0.000 1.003 508 V HN 0.642 nan 8.190 nan 0.000 0.425 509 E N 3.632 123.819 120.200 -0.021 0.000 2.249 509 E HA 0.619 4.969 4.350 -0.000 0.000 0.280 509 E C -1.273 175.310 176.600 -0.027 0.000 1.016 509 E CA -0.516 55.855 56.400 -0.049 0.000 0.830 509 E CB 2.089 31.761 29.700 -0.047 0.000 1.081 509 E HN 0.259 nan 8.360 nan 0.000 0.395 510 L N 3.931 125.134 121.223 -0.034 0.000 2.424 510 L HA 0.456 4.796 4.340 -0.000 0.000 0.258 510 L C -2.327 174.528 176.870 -0.025 0.000 0.995 510 L CA -1.902 52.927 54.840 -0.018 0.000 0.821 510 L CB 2.228 44.285 42.059 -0.002 0.000 1.383 510 L HN 0.319 nan 8.230 nan 0.000 0.410 511 P HA 0.116 nan 4.420 nan 0.000 0.312 511 P C -0.862 176.426 177.300 -0.020 0.000 1.308 511 P CA -0.471 62.617 63.100 -0.019 0.000 0.743 511 P CB 0.464 32.158 31.700 -0.010 0.000 1.364 512 D N 0.596 120.984 120.400 -0.019 0.000 2.502 512 D HA -0.010 4.629 4.640 -0.000 0.000 0.249 512 D C 0.525 176.815 176.300 -0.015 0.000 1.188 512 D CA 0.497 54.486 54.000 -0.018 0.000 0.890 512 D CB 0.149 40.941 40.800 -0.014 0.000 1.140 512 D HN 0.083 nan 8.370 nan 0.000 0.505 513 M N 3.603 123.191 119.600 -0.020 0.000 2.484 513 M HA 0.075 4.555 4.480 -0.000 0.000 0.307 513 M C 1.462 177.746 176.300 -0.027 0.000 1.149 513 M CA -0.175 55.111 55.300 -0.023 0.000 0.972 513 M CB -0.007 32.574 32.600 -0.032 0.000 1.400 513 M HN 0.282 nan 8.290 nan 0.000 0.508 514 K N 1.446 121.835 120.400 -0.019 0.000 2.097 514 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 514 K C 0.716 177.307 176.600 -0.015 0.000 1.049 514 K CA 1.332 57.609 56.287 -0.017 0.000 0.933 514 K CB 0.062 32.558 32.500 -0.008 0.000 0.717 514 K HN 0.437 nan 8.250 nan 0.000 0.442 515 N N 0.013 118.706 118.700 -0.011 0.000 2.279 515 N HA 0.027 4.767 4.740 -0.000 0.000 0.226 515 N C -0.503 175.002 175.510 -0.008 0.000 1.126 515 N CA -0.042 53.004 53.050 -0.007 0.000 0.846 515 N CB 0.467 38.953 38.487 -0.002 0.000 1.050 515 N HN 0.129 nan 8.380 nan 0.000 0.502 516 N N 0.726 119.416 118.700 -0.016 0.000 2.646 516 N HA 0.102 4.842 4.740 -0.000 0.000 0.296 516 N C 0.046 175.536 175.510 -0.033 0.000 1.886 516 N CA -0.034 53.008 53.050 -0.014 0.000 0.855 516 N CB 0.266 38.750 38.487 -0.005 0.000 1.336 516 N HN -0.050 nan 8.380 nan 0.000 0.496 517 L N 0.867 122.061 121.223 -0.048 0.000 2.261 517 L HA -0.067 4.272 4.340 -0.000 0.000 0.216 517 L C 2.410 179.224 176.870 -0.093 0.000 1.114 517 L CA 1.312 56.096 54.840 -0.093 0.000 0.777 517 L CB -0.183 41.819 42.059 -0.096 0.000 0.910 517 L HN 0.286 nan 8.230 nan 0.000 0.440 518 K N -0.689 119.690 120.400 -0.036 0.000 2.155 518 K HA 0.029 4.349 4.320 -0.000 0.000 0.203 518 K C 2.057 178.662 176.600 0.008 0.000 1.052 518 K CA 1.016 57.301 56.287 -0.004 0.000 0.948 518 K CB -0.545 31.971 32.500 0.025 0.000 0.728 518 K HN 0.403 nan 8.250 nan 0.000 0.448 519 G N 1.819 110.623 108.800 0.006 0.000 2.453 519 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.215 519 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.215 519 G C 1.568 176.483 174.900 0.025 0.000 1.201 519 G CA 0.375 45.498 45.100 0.039 0.000 0.784 519 G HN 0.218 nan 8.290 nan 0.000 0.545 520 L N 0.337 121.526 121.223 -0.056 0.000 2.013 520 L HA -0.120 4.220 4.340 -0.000 0.000 0.212 520 L C 2.826 179.560 176.870 -0.227 0.000 1.073 520 L CA 2.390 57.146 54.840 -0.139 0.000 0.753 520 L CB -0.360 41.547 42.059 -0.252 0.000 0.890 520 L HN 0.472 nan 8.230 nan 0.000 0.432 521 E N -0.371 119.686 120.200 -0.239 0.000 2.110 521 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 521 E C 2.059 178.707 176.600 0.080 0.000 0.988 521 E CA 1.089 57.387 56.400 -0.171 0.000 0.804 521 E CB -0.013 29.624 29.700 -0.105 0.000 0.745 521 E HN 0.600 nan 8.360 nan 0.000 0.458 522 A N 0.550 123.444 122.820 0.124 0.000 1.883 522 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 522 A C 2.408 180.214 177.584 0.371 0.000 1.186 522 A CA 1.788 53.976 52.037 0.252 0.000 0.624 522 A CB -0.852 18.311 19.000 0.272 0.000 0.822 522 A HN 0.228 nan 8.150 nan 0.000 0.444 523 V N -1.974 118.101 119.914 0.269 0.000 2.255 523 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 523 V C 2.332 178.583 176.094 0.261 0.000 1.051 523 V CA 1.891 64.286 62.300 0.158 0.000 1.018 523 V CB -1.217 30.678 31.823 0.120 0.000 0.641 523 V HN 0.746 nan 8.190 nan 0.000 0.445 524 W N 0.887 122.256 121.300 0.114 0.000 2.315 524 W HA -0.164 4.496 4.660 -0.000 0.000 0.323 524 W C 2.394 178.926 176.519 0.021 0.000 1.233 524 W CA 1.610 59.002 57.345 0.078 0.000 1.267 524 W CB -1.341 28.202 29.460 0.139 0.000 1.160 524 W HN 0.321 nan 8.180 nan 0.000 0.474 525 D N -1.664 118.950 120.400 0.357 0.000 2.133 525 D HA -0.270 4.370 4.640 -0.000 0.000 0.192 525 D C 1.881 178.326 176.300 0.240 0.000 1.001 525 D CA 1.913 56.066 54.000 0.254 0.000 0.844 525 D CB -1.120 39.842 40.800 0.270 0.000 0.944 525 D HN 0.170 nan 8.370 nan 0.000 0.447 526 Y N 1.226 121.634 120.300 0.179 0.000 2.114 526 Y HA -0.154 4.396 4.550 -0.000 0.000 0.284 526 Y C 2.310 178.254 175.900 0.073 0.000 1.143 526 Y CA 1.604 59.834 58.100 0.217 0.000 1.135 526 Y CB -0.661 38.049 38.460 0.415 0.000 0.980 526 Y HN -0.036 nan 8.280 nan 0.000 0.499 527 A N 0.552 123.296 122.820 -0.126 0.000 1.873 527 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 527 A C 2.473 179.909 177.584 -0.247 0.000 1.193 527 A CA 2.574 54.340 52.037 -0.451 0.000 0.629 527 A CB -1.677 16.573 19.000 -1.250 0.000 0.826 527 A HN 0.615 nan 8.150 nan 0.000 0.447 528 A N -1.047 121.690 122.820 -0.139 0.000 1.948 528 A HA -0.257 4.062 4.320 -0.000 0.000 0.220 528 A C 2.166 179.683 177.584 -0.111 0.000 1.177 528 A CA 2.386 54.377 52.037 -0.077 0.000 0.636 528 A CB -0.542 18.445 19.000 -0.022 0.000 0.815 528 A HN 0.640 nan 8.150 nan 0.000 0.449 529 Q N -0.890 118.806 119.800 -0.172 0.000 2.123 529 Q HA -0.147 4.193 4.340 -0.000 0.000 0.199 529 Q C 1.557 177.258 176.000 -0.499 0.000 0.966 529 Q CA 2.262 57.874 55.803 -0.318 0.000 0.845 529 Q CB -0.377 28.128 28.738 -0.388 0.000 0.907 529 Q HN 0.815 nan 8.270 nan 0.000 0.439 530 H N -1.622 117.312 119.070 -0.226 0.000 2.582 530 H HA 0.275 4.831 4.556 -0.000 0.000 0.269 530 H C -0.339 174.953 175.328 -0.061 0.000 0.962 530 H CA 0.590 56.523 56.048 -0.193 0.000 1.230 530 H CB 0.484 30.023 29.762 -0.373 0.000 1.445 530 H HN 0.234 nan 8.280 nan 0.000 0.528 531 L N -3.375 117.811 121.223 -0.063 0.000 2.223 531 L HA 0.468 4.808 4.340 -0.000 0.000 0.243 531 L C 0.687 177.520 176.870 -0.061 0.000 1.105 531 L CA -0.920 53.820 54.840 -0.167 0.000 0.943 531 L CB 0.417 42.122 42.059 -0.591 0.000 1.542 531 L HN -0.286 nan 8.230 nan 0.000 0.437 532 D N -1.255 119.204 120.400 0.097 0.000 2.255 532 D HA -0.023 4.617 4.640 -0.000 0.000 0.224 532 D C -0.531 175.976 176.300 0.346 0.000 0.997 532 D CA 1.301 55.408 54.000 0.178 0.000 0.906 532 D CB 0.268 41.141 40.800 0.121 0.000 1.047 532 D HN 0.465 nan 8.370 nan 0.000 0.458 533 Y N 0.353 120.893 120.300 0.401 0.000 2.341 533 Y HA 0.503 5.053 4.550 -0.000 0.000 0.338 533 Y C -1.694 174.413 175.900 0.346 0.000 0.965 533 Y CA -2.017 56.255 58.100 0.287 0.000 1.108 533 Y CB 0.540 39.172 38.460 0.287 0.000 1.180 533 Y HN -0.080 nan 8.280 nan 0.000 0.458 534 F N 3.904 123.962 119.950 0.181 0.000 2.601 534 F HA 0.831 5.358 4.527 -0.000 0.000 0.309 534 F C -0.727 175.007 175.800 -0.109 0.000 1.089 534 F CA -0.466 57.503 58.000 -0.052 0.000 0.940 534 F CB 2.282 41.276 39.000 -0.008 0.000 1.273 534 F HN 0.658 nan 8.300 nan 0.000 0.450 535 G N 2.243 110.505 108.800 -0.897 0.000 2.690 535 G HA2 0.610 4.570 3.960 -0.000 0.000 0.291 535 G HA3 0.610 4.570 3.960 -0.000 0.000 0.291 535 G C -2.487 171.969 174.900 -0.740 0.000 1.403 535 G CA -0.867 43.898 45.100 -0.560 0.000 0.864 535 G HN 0.634 nan 8.290 nan 0.000 0.480 536 V N 1.299 121.016 119.914 -0.328 0.000 2.531 536 V HA 0.400 4.520 4.120 -0.000 0.000 0.301 536 V C -1.010 174.975 176.094 -0.182 0.000 1.034 536 V CA -1.310 60.865 62.300 -0.209 0.000 0.865 536 V CB 1.718 33.560 31.823 0.033 0.000 0.995 536 V HN 0.629 nan 8.190 nan 0.000 0.424 537 N N 5.566 124.139 118.700 -0.212 0.000 2.419 537 N HA 0.726 5.465 4.740 -0.000 0.000 0.264 537 N C -0.602 174.819 175.510 -0.149 0.000 1.031 537 N CA -0.095 52.811 53.050 -0.240 0.000 0.951 537 N CB 1.491 39.790 38.487 -0.314 0.000 1.101 537 N HN 0.629 nan 8.380 nan 0.000 0.488 538 M N 1.651 121.169 119.600 -0.136 0.000 2.667 538 M HA 0.503 4.983 4.480 -0.000 0.000 0.286 538 M C -2.516 173.725 176.300 -0.099 0.000 1.270 538 M CA -1.806 53.439 55.300 -0.093 0.000 0.826 538 M CB 3.033 35.595 32.600 -0.063 0.000 1.743 538 M HN 0.211 nan 8.290 nan 0.000 0.460 539 P HA 0.286 nan 4.420 nan 0.000 0.279 539 P C -1.244 176.017 177.300 -0.065 0.000 1.239 539 P CA -0.323 62.733 63.100 -0.073 0.000 0.789 539 P CB 0.931 32.596 31.700 -0.057 0.000 0.933 540 V N 3.778 123.651 119.914 -0.069 0.000 2.443 540 V HA 0.273 4.393 4.120 -0.000 0.000 0.272 540 V C -0.459 175.610 176.094 -0.042 0.000 1.002 540 V CA -0.325 61.943 62.300 -0.053 0.000 0.840 540 V CB 1.090 32.873 31.823 -0.068 0.000 1.042 540 V HN 0.551 nan 8.190 nan 0.000 0.446 541 D N 3.145 123.528 120.400 -0.029 0.000 2.477 541 D HA 0.599 5.239 4.640 -0.000 0.000 0.234 541 D C -0.713 175.589 176.300 0.004 0.000 1.048 541 D CA -0.725 53.258 54.000 -0.030 0.000 0.959 541 D CB 3.244 44.016 40.800 -0.047 0.000 1.408 541 D HN 0.320 nan 8.370 nan 0.000 0.496 542 K N 0.392 120.795 120.400 0.005 0.000 2.581 542 K HA 0.300 4.620 4.320 -0.000 0.000 0.249 542 K C -1.431 175.196 176.600 0.044 0.000 0.966 542 K CA -0.571 55.767 56.287 0.084 0.000 0.811 542 K CB 1.862 34.502 32.500 0.234 0.000 1.223 542 K HN 0.502 nan 8.250 nan 0.000 0.438 543 C N 6.143 125.483 119.300 0.066 0.000 2.619 543 C HA 0.262 4.721 4.460 -0.000 0.000 0.389 543 C C 0.901 176.017 174.990 0.210 0.000 1.314 543 C CA -0.472 58.577 59.018 0.052 0.000 1.678 543 C CB -1.173 26.593 27.740 0.044 0.000 2.398 543 C HN 0.778 nan 8.230 nan 0.000 0.582 544 F N 4.568 124.519 119.950 0.001 0.000 2.716 544 F HA 0.178 4.705 4.527 -0.000 0.000 0.301 544 F C 1.576 177.378 175.800 0.003 0.000 1.210 544 F CA 0.424 58.426 58.000 0.004 0.000 1.422 544 F CB -1.263 37.740 39.000 0.005 0.000 1.073 544 F HN 0.788 nan 8.300 nan 0.000 0.525 573 N N 1.842 120.156 118.700 -0.643 0.000 2.569 573 N HA 0.455 5.195 4.740 -0.000 0.000 0.254 573 N C -1.579 173.853 175.510 -0.130 0.000 1.004 573 N CA -0.168 52.741 53.050 -0.235 0.000 0.904 573 N CB 1.519 40.028 38.487 0.037 0.000 1.165 573 N HN 0.820 nan 8.380 nan 0.000 0.513 574 T N 2.338 116.819 114.554 -0.123 0.000 2.821 574 T HA 0.453 4.803 4.350 -0.000 0.000 0.307 574 T C 0.071 174.723 174.700 -0.079 0.000 1.034 574 T CA -0.735 61.308 62.100 -0.095 0.000 0.953 574 T CB 0.694 69.501 68.868 -0.102 0.000 0.968 574 T HN 0.211 nan 8.240 nan 0.000 0.462 575 I N 3.049 123.573 120.570 -0.077 0.000 2.493 575 I HA 0.636 4.806 4.170 -0.000 0.000 0.298 575 I C 0.180 176.230 176.117 -0.111 0.000 0.998 575 I CA -0.990 60.256 61.300 -0.090 0.000 1.137 575 I CB 1.763 39.708 38.000 -0.091 0.000 1.310 575 I HN 0.521 nan 8.210 nan 0.000 0.445 576 R N 3.404 123.829 120.500 -0.126 0.000 2.698 576 R HA 0.412 4.752 4.340 -0.000 0.000 0.275 576 R C -0.682 175.504 176.300 -0.189 0.000 1.001 576 R CA -0.918 55.090 56.100 -0.153 0.000 0.896 576 R CB 2.514 32.735 30.300 -0.132 0.000 1.218 576 R HN 0.566 nan 8.270 nan 0.000 0.462 577 R N 1.091 121.438 120.500 -0.254 0.000 2.471 577 R HA 0.170 4.510 4.340 -0.000 0.000 0.292 577 R C 0.524 176.628 176.300 -0.326 0.000 1.192 577 R CA 0.067 55.975 56.100 -0.320 0.000 1.257 577 R CB 0.335 30.350 30.300 -0.475 0.000 1.130 577 R HN 0.787 nan 8.270 nan 0.000 0.558 578 T N -1.007 113.406 114.554 -0.234 0.000 2.894 578 T HA -0.020 4.329 4.350 -0.000 0.000 0.258 578 T C 1.403 175.955 174.700 -0.247 0.000 1.043 578 T CA 0.431 62.394 62.100 -0.229 0.000 1.141 578 T CB 0.014 68.773 68.868 -0.182 0.000 0.873 578 T HN 0.457 nan 8.240 nan 0.000 0.449 579 C N 0.446 119.622 119.300 -0.207 0.000 3.106 579 C HA 0.862 5.322 4.460 -0.000 0.000 0.108 579 C C 3.074 177.949 174.990 -0.193 0.000 2.515 579 C CA 0.283 59.189 59.018 -0.187 0.000 1.060 579 C CB -0.003 27.646 27.740 -0.153 0.000 1.835 579 C HN 0.593 nan 8.230 nan 0.000 0.578 580 A N -1.340 121.362 122.820 -0.196 0.000 1.993 580 A HA 0.437 4.757 4.320 -0.000 0.000 0.207 580 A C 0.241 177.585 177.584 -0.400 0.000 1.224 580 A CA 0.675 52.522 52.037 -0.317 0.000 0.749 580 A CB -0.303 18.386 19.000 -0.519 0.000 0.884 580 A HN 0.704 nan 8.150 nan 0.000 0.467 581 Y N -0.586 119.692 120.300 -0.037 0.000 2.596 581 Y HA 0.632 5.182 4.550 -0.000 0.000 0.326 581 Y C 0.311 176.117 175.900 -0.156 0.000 1.167 581 Y CA -1.232 56.835 58.100 -0.055 0.000 1.246 581 Y CB 0.547 39.006 38.460 -0.002 0.000 1.347 581 Y HN -0.002 nan 8.280 nan 0.000 0.515 582 L N 1.036 122.246 121.223 -0.022 0.000 2.436 582 L HA 0.676 5.016 4.340 -0.000 0.000 0.265 582 L C 0.484 177.315 176.870 -0.066 0.000 1.168 582 L CA -0.169 54.592 54.840 -0.131 0.000 0.815 582 L CB 0.465 42.403 42.059 -0.202 0.000 1.109 582 L HN 0.878 nan 8.230 nan 0.000 0.462 583 G N 0.660 109.417 108.800 -0.072 0.000 2.601 583 G HA2 0.110 4.070 3.960 -0.000 0.000 0.291 583 G HA3 0.110 4.070 3.960 -0.000 0.000 0.291 583 G C -1.725 173.144 174.900 -0.051 0.000 1.456 583 G CA -0.600 44.478 45.100 -0.036 0.000 0.804 583 G HN 0.458 nan 8.290 nan 0.000 0.499 584 N N 1.698 120.377 118.700 -0.035 0.000 2.439 584 N HA 0.252 4.992 4.740 -0.000 0.000 0.243 584 N C -1.102 174.377 175.510 -0.051 0.000 1.088 584 N CA -1.929 51.093 53.050 -0.047 0.000 0.940 584 N CB 1.830 40.294 38.487 -0.039 0.000 1.180 584 N HN 0.180 nan 8.380 nan 0.000 0.505 585 P HA -0.119 nan 4.420 nan 0.000 0.226 585 P C 0.569 177.834 177.300 -0.059 0.000 1.146 585 P CA 0.787 63.849 63.100 -0.064 0.000 0.773 585 P CB 0.476 32.132 31.700 -0.074 0.000 0.772 586 N N -0.156 118.509 118.700 -0.058 0.000 2.453 586 N HA -0.061 4.679 4.740 -0.000 0.000 0.183 586 N C 0.675 176.155 175.510 -0.050 0.000 1.041 586 N CA 0.895 53.913 53.050 -0.055 0.000 0.900 586 N CB 0.147 38.598 38.487 -0.060 0.000 0.961 586 N HN 0.325 nan 8.380 nan 0.000 0.443 587 E N 0.000 120.172 120.200 -0.046 0.000 2.725 587 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 587 E CA 0.000 56.374 56.400 -0.043 0.000 0.976 587 E CB 0.000 29.680 29.700 -0.033 0.000 0.812 587 E HN 0.000 nan 8.360 nan 0.000 0.440