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 1h7b_1_A DATA FIRST_RESID 26 DATA SEQUENCE DSRVFPTQRD LMAGIVSKHI AKNMVPSFIM KAHESGIIHV HDIDYSPALP DATA SEQUENCE FTNCCLVDLK GMLENGFKLG NAQIETPKSI GVATAIMAQI TAQVASHQYG DATA SEQUENCE GTTFANVDKV LSPYVKRTYA KHIEDAEKWQ IADALNYAQS KTEKDVYDAF DATA SEQUENCE QAYEYEVNTL FSSNGQTPFV TITFGTGTDW TERMIQKAIL KNRIKGLGRD DATA SEQUENCE GITPIFPKLV MFVEEGVNLY KDDPNYDIKQ LALECASKRM YPDIISAKNN DATA SEQUENCE KAITGSSVPV SPMGCRSFLS VWKDSTGNEI LDGRNNLGVV TLNLPRIALD DATA SEQUENCE SYIGTQFNEQ KFVELFNERM DLCFEALMCR ISSLKGVKAT VAPILYQEGA DATA SEQUENCE FGVRLKPDDD IIELFKNGRS SVSLGYIGIH ELNILVGRDI GREILTKMNA DATA SEQUENCE HLKQWTERTG FAFSLYSTPA ENLCYRFCKL DTEKYGSVKD VTDKGWYTNS DATA SEQUENCE FHVSVEENIT PFEKISREAP YHFIATGGHI SYVELPDMKN NLKGLEAVWD DATA SEQUENCE YAAQHLDYFG VNMPVDKCXX 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 0.000 176.299 176.300 -0.001 0.000 2.045 26 D CA 0.000 54.004 54.000 0.007 0.000 0.868 26 D CB 0.000 40.804 40.800 0.007 0.000 0.688 27 S N -1.542 114.147 115.700 -0.018 0.000 2.612 27 S HA 0.184 4.654 4.470 -0.000 0.000 0.278 27 S C 1.164 175.734 174.600 -0.050 0.000 1.082 27 S CA -0.183 58.002 58.200 -0.025 0.000 1.185 27 S CB 0.557 63.742 63.200 -0.026 0.000 1.077 27 S HN 0.334 nan 8.310 nan 0.000 0.585 28 R N 1.144 121.601 120.500 -0.072 0.000 2.275 28 R HA 0.218 4.558 4.340 -0.000 0.000 0.199 28 R C 0.254 176.429 176.300 -0.208 0.000 0.989 28 R CA 0.192 56.221 56.100 -0.120 0.000 1.016 28 R CB 0.032 30.268 30.300 -0.107 0.000 0.918 28 R HN 0.119 nan 8.270 nan 0.000 0.473 29 V N 1.823 121.645 119.914 -0.153 0.000 2.637 29 V HA -0.063 4.057 4.120 -0.000 0.000 0.296 29 V C 1.050 177.053 176.094 -0.152 0.000 1.046 29 V CA 0.096 62.289 62.300 -0.177 0.000 1.066 29 V CB 0.464 32.276 31.823 -0.018 0.000 0.968 29 V HN 0.078 nan 8.190 nan 0.000 0.483 30 F N 5.650 125.618 119.950 0.030 0.000 2.043 30 F HA -0.117 4.410 4.527 -0.000 0.000 0.297 30 F C -0.043 175.780 175.800 0.039 0.000 1.118 30 F CA 2.229 60.245 58.000 0.025 0.000 1.202 30 F CB -2.007 37.001 39.000 0.014 0.000 0.965 30 F HN 0.511 nan 8.300 nan 0.000 0.482 31 P HA -0.120 nan 4.420 nan 0.000 0.216 31 P C 1.650 179.035 177.300 0.141 0.000 1.150 31 P CA 2.120 65.338 63.100 0.196 0.000 0.837 31 P CB -0.315 31.527 31.700 0.236 0.000 0.786 32 T N -0.440 114.185 114.554 0.118 0.000 2.777 32 T HA -0.154 4.196 4.350 -0.000 0.000 0.266 32 T C 1.879 176.605 174.700 0.044 0.000 1.040 32 T CA 1.148 63.287 62.100 0.066 0.000 1.141 32 T CB -0.613 68.281 68.868 0.044 0.000 0.868 32 T HN 0.209 nan 8.240 nan 0.000 0.444 33 Q N 0.716 120.545 119.800 0.049 0.000 2.050 33 Q HA -0.064 4.276 4.340 -0.000 0.000 0.202 33 Q C 2.645 178.676 176.000 0.052 0.000 0.980 33 Q CA 1.073 56.902 55.803 0.043 0.000 0.840 33 Q CB -0.237 28.536 28.738 0.059 0.000 0.898 33 Q HN 0.416 nan 8.270 nan 0.000 0.424 34 R N 0.777 121.326 120.500 0.082 0.000 2.096 34 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 34 R C 1.812 178.127 176.300 0.025 0.000 1.127 34 R CA 1.502 57.638 56.100 0.060 0.000 0.968 34 R CB -0.587 29.758 30.300 0.074 0.000 0.861 34 R HN 0.387 nan 8.270 nan 0.000 0.440 35 D N 0.561 120.976 120.400 0.025 0.000 2.097 35 D HA -0.111 4.529 4.640 -0.000 0.000 0.195 35 D C 1.944 178.209 176.300 -0.058 0.000 0.989 35 D CA 0.682 54.673 54.000 -0.014 0.000 0.827 35 D CB 0.085 40.890 40.800 0.009 0.000 0.966 35 D HN -0.021 nan 8.370 nan 0.000 0.456 36 L N 0.087 121.290 121.223 -0.034 0.000 2.079 36 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 36 L C 2.399 179.239 176.870 -0.050 0.000 1.081 36 L CA 1.289 56.102 54.840 -0.046 0.000 0.752 36 L CB -0.757 41.287 42.059 -0.024 0.000 0.896 36 L HN 0.363 nan 8.230 nan 0.000 0.433 37 M N -1.012 118.569 119.600 -0.032 0.000 2.086 37 M HA -0.180 4.300 4.480 -0.000 0.000 0.261 37 M C 2.404 178.676 176.300 -0.047 0.000 1.067 37 M CA 1.942 57.224 55.300 -0.030 0.000 1.116 37 M CB -0.443 32.150 32.600 -0.012 0.000 1.348 37 M HN 0.254 nan 8.290 nan 0.000 0.407 38 A N 0.449 123.234 122.820 -0.058 0.000 1.933 38 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 38 A C 2.324 179.829 177.584 -0.131 0.000 1.175 38 A CA 1.845 53.837 52.037 -0.075 0.000 0.628 38 A CB -1.484 17.472 19.000 -0.073 0.000 0.814 38 A HN 0.563 nan 8.150 nan 0.000 0.444 39 G N 0.106 108.802 108.800 -0.173 0.000 2.418 39 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.217 39 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.217 39 G C 1.395 176.223 174.900 -0.121 0.000 1.158 39 G CA 1.129 46.102 45.100 -0.213 0.000 0.771 39 G HN 0.342 nan 8.290 nan 0.000 0.545 40 I N 0.904 121.428 120.570 -0.077 0.000 2.179 40 I HA -0.112 4.057 4.170 -0.000 0.000 0.242 40 I C 3.035 179.142 176.117 -0.017 0.000 1.088 40 I CA 0.665 61.941 61.300 -0.041 0.000 1.357 40 I CB -1.157 36.820 38.000 -0.037 0.000 1.051 40 I HN 0.034 nan 8.210 nan 0.000 0.409 41 V N 0.616 120.513 119.914 -0.028 0.000 2.332 41 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 41 V C 2.559 178.676 176.094 0.038 0.000 1.055 41 V CA 2.015 64.314 62.300 -0.001 0.000 1.038 41 V CB -0.715 31.100 31.823 -0.014 0.000 0.651 41 V HN 0.380 nan 8.190 nan 0.000 0.450 42 S N -0.875 114.817 115.700 -0.014 0.000 2.402 42 S HA -0.156 4.314 4.470 -0.000 0.000 0.229 42 S C 1.966 176.549 174.600 -0.028 0.000 1.021 42 S CA 1.153 59.340 58.200 -0.022 0.000 0.974 42 S CB -0.203 62.950 63.200 -0.078 0.000 0.800 42 S HN 0.570 nan 8.310 nan 0.000 0.484 43 K N 0.356 120.738 120.400 -0.031 0.000 2.148 43 K HA -0.076 4.244 4.320 -0.000 0.000 0.204 43 K C 2.161 178.761 176.600 0.001 0.000 1.050 43 K CA 0.950 57.215 56.287 -0.037 0.000 0.942 43 K CB -0.187 32.295 32.500 -0.030 0.000 0.724 43 K HN 0.457 nan 8.250 nan 0.000 0.446 44 H N 0.873 119.913 119.070 -0.050 0.000 2.363 44 H HA -0.010 4.546 4.556 -0.000 0.000 0.301 44 H C 1.915 177.221 175.328 -0.036 0.000 1.074 44 H CA 1.249 57.275 56.048 -0.037 0.000 1.354 44 H CB 0.137 29.882 29.762 -0.029 0.000 1.397 44 H HN 0.112 nan 8.280 nan 0.000 0.516 45 I N 1.007 121.585 120.570 0.014 0.000 2.286 45 I HA -0.221 3.949 4.170 -0.000 0.000 0.248 45 I C 2.909 178.961 176.117 -0.107 0.000 1.115 45 I CA 0.933 62.206 61.300 -0.045 0.000 1.392 45 I CB -0.368 37.648 38.000 0.028 0.000 1.065 45 I HN 0.266 nan 8.210 nan 0.000 0.418 46 A N 0.324 123.087 122.820 -0.096 0.000 2.019 46 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 46 A C 2.182 179.682 177.584 -0.140 0.000 1.164 46 A CA 1.571 53.540 52.037 -0.113 0.000 0.644 46 A CB -0.361 18.563 19.000 -0.127 0.000 0.805 46 A HN 0.190 nan 8.150 nan 0.000 0.449 47 K N 0.248 120.546 120.400 -0.170 0.000 2.283 47 K HA -0.010 4.310 4.320 -0.000 0.000 0.202 47 K C 1.097 177.596 176.600 -0.167 0.000 1.048 47 K CA 1.393 57.578 56.287 -0.169 0.000 0.948 47 K CB -0.303 32.080 32.500 -0.196 0.000 0.742 47 K HN 0.722 nan 8.250 nan 0.000 0.458 48 N N -1.198 117.390 118.700 -0.186 0.000 2.280 48 N HA 0.127 4.867 4.740 -0.000 0.000 0.192 48 N C 0.807 176.263 175.510 -0.090 0.000 1.109 48 N CA 0.093 53.061 53.050 -0.137 0.000 0.855 48 N CB 0.356 38.753 38.487 -0.150 0.000 0.974 48 N HN 0.097 nan 8.380 nan 0.000 0.482 49 M N -0.189 119.356 119.600 -0.092 0.000 2.470 49 M HA 0.173 4.653 4.480 -0.000 0.000 0.262 49 M C -0.148 176.102 176.300 -0.083 0.000 1.211 49 M CA 0.260 55.516 55.300 -0.073 0.000 1.125 49 M CB 1.295 33.855 32.600 -0.065 0.000 1.480 49 M HN -0.188 nan 8.290 nan 0.000 0.541 50 V N 2.563 122.412 119.914 -0.109 0.000 2.465 50 V HA 0.273 4.392 4.120 -0.000 0.000 0.279 50 V C -2.240 173.779 176.094 -0.125 0.000 1.045 50 V CA -1.605 60.611 62.300 -0.139 0.000 0.938 50 V CB 0.616 32.332 31.823 -0.179 0.000 0.986 50 V HN 0.047 nan 8.190 nan 0.000 0.467 51 P HA 0.004 nan 4.420 nan 0.000 0.264 51 P C 1.049 178.294 177.300 -0.093 0.000 1.193 51 P CA 0.398 63.469 63.100 -0.049 0.000 0.763 51 P CB 0.645 32.351 31.700 0.010 0.000 0.810 52 S N 3.843 119.558 115.700 0.026 0.000 2.392 52 S HA -0.237 4.233 4.470 -0.000 0.000 0.232 52 S C 1.670 176.305 174.600 0.058 0.000 1.041 52 S CA 1.919 60.139 58.200 0.033 0.000 1.026 52 S CB -1.062 62.179 63.200 0.069 0.000 0.845 52 S HN 0.520 nan 8.310 nan 0.000 0.465 53 F N 0.622 120.569 119.950 -0.004 0.000 2.293 53 F HA 0.175 4.702 4.527 -0.000 0.000 0.300 53 F C 1.724 177.531 175.800 0.011 0.000 1.086 53 F CA 0.708 58.712 58.000 0.005 0.000 1.375 53 F CB -0.580 38.422 39.000 0.003 0.000 1.045 53 F HN 0.228 nan 8.300 nan 0.000 0.516 54 I N -0.278 119.855 120.570 -0.728 0.000 2.333 54 I HA -0.185 3.985 4.170 -0.000 0.000 0.246 54 I C 2.446 178.437 176.117 -0.210 0.000 1.106 54 I CA 0.704 61.666 61.300 -0.563 0.000 1.411 54 I CB -0.385 37.227 38.000 -0.646 0.000 1.082 54 I HN 0.135 nan 8.210 nan 0.000 0.420 55 M N 0.611 120.113 119.600 -0.164 0.000 2.117 55 M HA -0.206 4.274 4.480 -0.000 0.000 0.262 55 M C 2.239 178.559 176.300 0.034 0.000 1.065 55 M CA 1.857 57.123 55.300 -0.057 0.000 1.114 55 M CB -0.969 31.595 32.600 -0.061 0.000 1.361 55 M HN 0.119 nan 8.290 nan 0.000 0.408 56 K N -0.254 120.162 120.400 0.027 0.000 2.147 56 K HA -0.069 4.250 4.320 -0.000 0.000 0.205 56 K C 1.983 178.628 176.600 0.074 0.000 1.049 56 K CA 1.387 57.709 56.287 0.059 0.000 0.936 56 K CB -0.198 32.344 32.500 0.071 0.000 0.722 56 K HN 0.310 nan 8.250 nan 0.000 0.446 57 A N 0.448 123.311 122.820 0.072 0.000 1.968 57 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 57 A C 1.895 179.550 177.584 0.119 0.000 1.169 57 A CA 1.529 53.620 52.037 0.090 0.000 0.638 57 A CB -0.564 18.487 19.000 0.084 0.000 0.812 57 A HN 0.417 nan 8.150 nan 0.000 0.446 58 H N -0.024 119.058 119.070 0.019 0.000 2.333 58 H HA -0.027 4.529 4.556 -0.000 0.000 0.302 58 H C 1.844 177.209 175.328 0.061 0.000 1.075 58 H CA 1.643 57.711 56.048 0.033 0.000 1.348 58 H CB 0.045 29.768 29.762 -0.065 0.000 1.393 58 H HN 0.367 nan 8.280 nan 0.000 0.509 59 E N 0.126 120.365 120.200 0.065 0.000 2.160 59 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 59 E C 2.155 178.755 176.600 -0.000 0.000 0.991 59 E CA 1.315 57.720 56.400 0.008 0.000 0.810 59 E CB -0.273 29.463 29.700 0.060 0.000 0.742 59 E HN 0.629 nan 8.360 nan 0.000 0.466 60 S N -0.963 114.758 115.700 0.035 0.000 2.575 60 S HA 0.240 4.710 4.470 -0.000 0.000 0.215 60 S C 1.477 176.124 174.600 0.078 0.000 0.966 60 S CA 0.621 58.851 58.200 0.049 0.000 0.911 60 S CB 0.409 63.641 63.200 0.053 0.000 0.780 60 S HN 0.300 nan 8.310 nan 0.000 0.514 61 G N 1.223 110.088 108.800 0.108 0.000 2.141 61 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.242 61 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.242 61 G C 0.562 175.497 174.900 0.058 0.000 0.982 61 G CA 0.280 45.516 45.100 0.226 0.000 0.662 61 G HN 0.456 nan 8.290 nan 0.000 0.527 62 I N 0.632 121.241 120.570 0.065 0.000 2.286 62 I HA 0.186 4.355 4.170 -0.000 0.000 0.245 62 I C 1.848 177.976 176.117 0.017 0.000 1.104 62 I CA 1.852 63.163 61.300 0.018 0.000 1.397 62 I CB -0.849 37.191 38.000 0.067 0.000 1.072 62 I HN 0.647 nan 8.210 nan 0.000 0.417 63 I N -3.000 117.670 120.570 0.167 0.000 3.279 63 I HA 0.494 4.664 4.170 -0.000 0.000 0.315 63 I C -0.725 175.703 176.117 0.518 0.000 1.187 63 I CA -0.952 60.530 61.300 0.303 0.000 0.953 63 I CB 2.602 40.734 38.000 0.220 0.000 1.279 63 I HN -0.129 nan 8.210 nan 0.000 0.465 64 H N 1.179 120.498 119.070 0.414 0.000 3.013 64 H HA 0.592 5.148 4.556 -0.000 0.000 0.326 64 H C -1.715 173.720 175.328 0.178 0.000 0.973 64 H CA -0.423 55.759 56.048 0.223 0.000 1.369 64 H CB 1.743 31.378 29.762 -0.212 0.000 1.598 64 H HN 0.504 nan 8.280 nan 0.000 0.518 65 V N 6.749 126.640 119.914 -0.039 0.000 2.372 65 V HA 0.094 4.214 4.120 -0.000 0.000 0.261 65 V C 0.592 176.462 176.094 -0.372 0.000 1.055 65 V CA -0.380 61.800 62.300 -0.201 0.000 0.930 65 V CB -0.165 31.430 31.823 -0.381 0.000 1.031 65 V HN 0.820 nan 8.190 nan 0.000 0.479 66 H N 4.609 123.585 119.070 -0.158 0.000 2.690 66 H HA 0.104 4.660 4.556 -0.000 0.000 0.365 66 H C 0.442 175.615 175.328 -0.257 0.000 1.142 66 H CA 0.176 56.155 56.048 -0.115 0.000 1.417 66 H CB 0.686 30.474 29.762 0.044 0.000 1.446 66 H HN 0.771 nan 8.280 nan 0.000 0.599 67 D N 1.394 121.714 120.400 -0.133 0.000 2.772 67 D HA -0.212 4.428 4.640 -0.000 0.000 0.233 67 D C 1.066 177.192 176.300 -0.290 0.000 1.143 67 D CA 0.305 54.107 54.000 -0.330 0.000 0.700 67 D CB -1.139 39.049 40.800 -1.019 0.000 1.076 67 D HN 0.424 nan 8.370 nan 0.000 0.430 68 I N 1.423 121.853 120.570 -0.234 0.000 2.756 68 I HA -0.191 3.979 4.170 -0.000 0.000 0.262 68 I C 1.786 177.803 176.117 -0.167 0.000 1.225 68 I CA 1.382 62.543 61.300 -0.232 0.000 1.472 68 I CB 0.066 37.864 38.000 -0.337 0.000 1.094 68 I HN 0.068 nan 8.210 nan 0.000 0.454 69 D N -1.780 118.525 120.400 -0.158 0.000 2.336 69 D HA -0.146 4.494 4.640 -0.000 0.000 0.229 69 D C 1.193 177.246 176.300 -0.411 0.000 1.061 69 D CA 0.764 54.629 54.000 -0.225 0.000 0.875 69 D CB -0.243 40.424 40.800 -0.222 0.000 0.904 69 D HN 0.408 nan 8.370 nan 0.000 0.525 70 Y N -0.156 120.001 120.300 -0.239 0.000 2.846 70 Y HA 0.214 4.763 4.550 -0.000 0.000 0.258 70 Y C 1.049 176.953 175.900 0.007 0.000 1.077 70 Y CA -0.139 57.822 58.100 -0.232 0.000 1.270 70 Y CB 0.579 38.698 38.460 -0.569 0.000 1.476 70 Y HN -0.062 nan 8.280 nan 0.000 0.460 71 S N 1.641 117.391 115.700 0.084 0.000 2.513 71 S HA 0.364 4.834 4.470 -0.000 0.000 0.299 71 S C -2.451 172.133 174.600 -0.026 0.000 1.087 71 S CA -1.919 56.347 58.200 0.110 0.000 1.012 71 S CB 1.610 64.899 63.200 0.149 0.000 1.044 71 S HN -0.006 nan 8.310 nan 0.000 0.485 72 P HA 0.215 nan 4.420 nan 0.000 0.255 72 P C 0.977 178.309 177.300 0.053 0.000 1.301 72 P CA 0.078 63.197 63.100 0.031 0.000 0.817 72 P CB -0.060 31.629 31.700 -0.019 0.000 1.259 73 A N 0.474 123.329 122.820 0.059 0.000 1.917 73 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 73 A C 1.297 178.938 177.584 0.095 0.000 1.182 73 A CA 1.203 53.276 52.037 0.061 0.000 0.633 73 A CB -0.809 18.225 19.000 0.056 0.000 0.819 73 A HN 0.263 nan 8.150 nan 0.000 0.448 74 L N -0.904 120.432 121.223 0.188 0.000 2.354 74 L HA 0.352 4.692 4.340 -0.000 0.000 0.269 74 L C -2.185 174.784 176.870 0.165 0.000 1.005 74 L CA -2.199 52.720 54.840 0.132 0.000 0.819 74 L CB 2.284 44.405 42.059 0.104 0.000 1.311 74 L HN -0.010 nan 8.230 nan 0.000 0.423 75 P HA 0.053 nan 4.420 nan 0.000 0.237 75 P C -0.256 177.123 177.300 0.131 0.000 1.723 75 P CA -0.030 63.121 63.100 0.086 0.000 0.882 75 P CB -0.484 31.240 31.700 0.041 0.000 1.810 76 F N 1.201 121.268 119.950 0.194 0.000 2.485 76 F HA 0.171 4.697 4.527 -0.000 0.000 0.327 76 F C 1.928 177.794 175.800 0.110 0.000 1.203 76 F CA 0.714 58.828 58.000 0.189 0.000 1.295 76 F CB 0.348 39.540 39.000 0.321 0.000 1.191 76 F HN 0.002 nan 8.300 nan 0.000 0.588 77 T N -1.628 113.020 114.554 0.156 0.000 2.910 77 T HA 0.359 4.709 4.350 -0.000 0.000 0.287 77 T C 0.181 174.501 174.700 -0.633 0.000 1.050 77 T CA -0.854 61.167 62.100 -0.131 0.000 1.011 77 T CB 1.820 70.607 68.868 -0.134 0.000 1.195 77 T HN 0.468 nan 8.240 nan 0.000 0.540 78 N N -0.391 117.905 118.700 -0.674 0.000 2.234 78 N HA 0.153 4.893 4.740 -0.000 0.000 0.217 78 N C 0.563 175.735 175.510 -0.564 0.000 1.028 78 N CA 0.580 53.095 53.050 -0.892 0.000 1.080 78 N CB -0.539 37.698 38.487 -0.416 0.000 1.341 78 N HN 1.007 nan 8.380 nan 0.000 0.574 79 C N -0.752 118.315 119.300 -0.389 0.000 2.423 79 C HA 0.914 5.373 4.460 -0.000 0.000 0.378 79 C C 0.425 175.260 174.990 -0.259 0.000 1.244 79 C CA -1.276 57.567 59.018 -0.291 0.000 1.978 79 C CB 0.292 27.879 27.740 -0.256 0.000 2.252 79 C HN 0.745 nan 8.230 nan 0.000 0.526 80 C N -0.251 118.922 119.300 -0.211 0.000 3.312 80 C HA 0.695 5.155 4.460 -0.000 0.000 0.332 80 C C -1.310 173.562 174.990 -0.198 0.000 1.340 80 C CA -0.845 58.049 59.018 -0.206 0.000 1.265 80 C CB 0.161 27.856 27.740 -0.074 0.000 1.563 80 C HN 1.085 nan 8.230 nan 0.000 0.471 81 L N 2.744 123.858 121.223 -0.183 0.000 2.265 81 L HA 0.531 4.871 4.340 -0.000 0.000 0.289 81 L C -0.018 176.771 176.870 -0.135 0.000 1.033 81 L CA -0.472 54.272 54.840 -0.159 0.000 0.814 81 L CB 1.504 43.503 42.059 -0.101 0.000 1.203 81 L HN 0.690 nan 8.230 nan 0.000 0.423 82 V N 2.165 121.941 119.914 -0.230 0.000 2.614 82 V HA -0.012 4.108 4.120 -0.000 0.000 0.291 82 V C 0.500 176.586 176.094 -0.013 0.000 1.049 82 V CA -0.238 61.974 62.300 -0.147 0.000 1.038 82 V CB 1.429 33.062 31.823 -0.316 0.000 0.980 82 V HN 0.646 nan 8.190 nan 0.000 0.481 83 D N 3.561 123.976 120.400 0.026 0.000 2.845 83 D HA 0.058 4.697 4.640 -0.000 0.000 0.235 83 D C 0.976 177.304 176.300 0.046 0.000 1.158 83 D CA -0.220 53.806 54.000 0.044 0.000 0.990 83 D CB 0.190 41.016 40.800 0.042 0.000 1.094 83 D HN 0.475 nan 8.370 nan 0.000 0.486 84 L N 2.196 123.490 121.223 0.118 0.000 2.079 84 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 84 L C 2.165 179.076 176.870 0.068 0.000 1.081 84 L CA 1.728 56.636 54.840 0.112 0.000 0.752 84 L CB -0.347 41.852 42.059 0.232 0.000 0.896 84 L HN 0.180 nan 8.230 nan 0.000 0.433 85 K N -0.683 119.775 120.400 0.098 0.000 2.009 85 K HA -0.162 4.158 4.320 -0.000 0.000 0.210 85 K C 1.866 178.523 176.600 0.095 0.000 1.049 85 K CA 1.607 57.959 56.287 0.110 0.000 0.929 85 K CB -0.718 31.845 32.500 0.104 0.000 0.714 85 K HN 0.477 nan 8.250 nan 0.000 0.440 86 G N 0.231 109.071 108.800 0.068 0.000 2.679 86 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.212 86 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.212 86 G C 1.190 176.119 174.900 0.048 0.000 1.137 86 G CA 0.342 45.479 45.100 0.062 0.000 0.787 86 G HN 0.277 nan 8.290 nan 0.000 0.534 87 M N -0.607 118.998 119.600 0.008 0.000 2.545 87 M HA 0.322 4.802 4.480 -0.000 0.000 0.264 87 M C 2.181 178.569 176.300 0.146 0.000 1.155 87 M CA 0.345 55.626 55.300 -0.032 0.000 1.162 87 M CB 0.117 32.464 32.600 -0.421 0.000 1.330 87 M HN 0.080 nan 8.290 nan 0.000 0.479 88 L N -0.187 121.096 121.223 0.101 0.000 2.131 88 L HA -0.104 4.236 4.340 -0.000 0.000 0.206 88 L C 2.141 179.118 176.870 0.177 0.000 1.087 88 L CA 1.177 56.078 54.840 0.102 0.000 0.767 88 L CB -0.473 41.563 42.059 -0.038 0.000 0.917 88 L HN 0.317 nan 8.230 nan 0.000 0.441 89 E N 0.089 120.403 120.200 0.190 0.000 2.001 89 E HA -0.118 4.232 4.350 -0.000 0.000 0.195 89 E C 0.914 177.598 176.600 0.140 0.000 1.002 89 E CA 0.838 57.343 56.400 0.175 0.000 0.819 89 E CB 0.188 29.968 29.700 0.134 0.000 0.769 89 E HN 0.414 nan 8.360 nan 0.000 0.454 90 N N -0.344 118.432 118.700 0.127 0.000 2.332 90 N HA 0.119 4.859 4.740 -0.000 0.000 0.285 90 N C 0.319 175.918 175.510 0.149 0.000 1.292 90 N CA 0.481 53.601 53.050 0.117 0.000 0.947 90 N CB -0.003 38.548 38.487 0.107 0.000 1.084 90 N HN 0.164 nan 8.380 nan 0.000 0.529 91 G N -1.500 107.385 108.800 0.143 0.000 3.107 91 G HA2 0.717 4.677 3.960 -0.000 0.000 0.232 91 G HA3 0.717 4.677 3.960 -0.000 0.000 0.232 91 G C -1.377 173.692 174.900 0.282 0.000 1.339 91 G CA -0.463 44.724 45.100 0.145 0.000 1.033 91 G HN 0.541 nan 8.290 nan 0.000 0.567 92 F N -2.637 117.311 119.950 -0.004 0.000 2.765 92 F HA 0.576 5.103 4.527 -0.000 0.000 0.313 92 F C -1.147 174.643 175.800 -0.016 0.000 1.136 92 F CA -1.419 56.576 58.000 -0.010 0.000 0.952 92 F CB 1.400 40.392 39.000 -0.013 0.000 1.268 92 F HN 0.525 nan 8.300 nan 0.000 0.441 93 K N 2.370 122.777 120.400 0.012 0.000 2.285 93 K HA 0.585 4.905 4.320 -0.000 0.000 0.286 93 K C -1.564 175.051 176.600 0.025 0.000 1.072 93 K CA -0.732 55.512 56.287 -0.072 0.000 0.913 93 K CB 1.068 33.566 32.500 -0.004 0.000 1.067 93 K HN 0.758 nan 8.250 nan 0.000 0.479 94 L N 5.962 127.117 121.223 -0.114 0.000 2.356 94 L HA 0.351 4.691 4.340 -0.000 0.000 0.264 94 L C 0.310 177.175 176.870 -0.008 0.000 1.029 94 L CA 0.860 55.715 54.840 0.026 0.000 0.897 94 L CB 0.551 42.610 42.059 0.001 0.000 1.256 94 L HN 0.983 nan 8.230 nan 0.000 0.444 95 G N 3.983 112.793 108.800 0.015 0.000 2.588 95 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.273 95 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.273 95 G C 0.753 175.648 174.900 -0.008 0.000 1.211 95 G CA 0.331 45.436 45.100 0.009 0.000 0.958 95 G HN 0.611 nan 8.290 nan 0.000 0.543 96 N N 1.810 120.500 118.700 -0.017 0.000 2.336 96 N HA 0.313 5.053 4.740 -0.000 0.000 0.177 96 N C 1.291 176.776 175.510 -0.042 0.000 1.018 96 N CA 1.045 54.082 53.050 -0.023 0.000 0.878 96 N CB 0.014 38.490 38.487 -0.018 0.000 0.997 96 N HN 1.187 nan 8.380 nan 0.000 0.433 97 A N 1.170 123.953 122.820 -0.061 0.000 2.425 97 A HA 0.171 4.490 4.320 -0.000 0.000 0.249 97 A C 0.028 177.526 177.584 -0.143 0.000 1.084 97 A CA -0.066 51.916 52.037 -0.092 0.000 0.781 97 A CB 0.419 19.359 19.000 -0.100 0.000 1.019 97 A HN 0.148 nan 8.150 nan 0.000 0.490 98 Q N 2.320 122.037 119.800 -0.137 0.000 2.509 98 Q HA 0.385 4.725 4.340 -0.000 0.000 0.230 98 Q C -0.542 175.328 176.000 -0.217 0.000 1.089 98 Q CA -0.334 55.369 55.803 -0.166 0.000 0.901 98 Q CB -0.006 28.675 28.738 -0.095 0.000 1.208 98 Q HN 0.571 nan 8.270 nan 0.000 0.529 99 I N 2.173 122.511 120.570 -0.386 0.000 2.634 99 I HA 0.152 4.322 4.170 -0.000 0.000 0.284 99 I C 0.670 176.636 176.117 -0.252 0.000 1.124 99 I CA 0.256 61.329 61.300 -0.378 0.000 1.417 99 I CB 0.405 38.014 38.000 -0.651 0.000 1.396 99 I HN 0.618 nan 8.210 nan 0.000 0.571 100 E N 2.626 122.745 120.200 -0.136 0.000 2.281 100 E HA 0.336 4.686 4.350 -0.000 0.000 0.262 100 E C -0.564 176.029 176.600 -0.012 0.000 0.933 100 E CA -0.852 55.517 56.400 -0.052 0.000 0.809 100 E CB 1.374 31.056 29.700 -0.030 0.000 1.242 100 E HN 0.478 nan 8.360 nan 0.000 0.418 101 T N 3.626 118.206 114.554 0.043 0.000 2.867 101 T HA 0.005 4.355 4.350 -0.000 0.000 0.290 101 T C -2.272 172.467 174.700 0.065 0.000 1.025 101 T CA -0.595 61.559 62.100 0.090 0.000 1.146 101 T CB -0.225 68.737 68.868 0.156 0.000 1.024 101 T HN 0.173 nan 8.240 nan 0.000 0.519 102 P HA 0.229 nan 4.420 nan 0.000 0.268 102 P C 0.291 177.678 177.300 0.146 0.000 1.204 102 P CA -0.305 62.774 63.100 -0.034 0.000 0.768 102 P CB 0.611 32.125 31.700 -0.311 0.000 0.842 103 K N 0.446 120.903 120.400 0.096 0.000 2.379 103 K HA 0.150 4.470 4.320 -0.000 0.000 0.194 103 K C 0.666 177.340 176.600 0.123 0.000 1.031 103 K CA 0.323 56.677 56.287 0.112 0.000 1.037 103 K CB 0.330 32.865 32.500 0.058 0.000 0.824 103 K HN 0.459 nan 8.250 nan 0.000 0.516 104 S N -1.129 114.639 115.700 0.112 0.000 2.595 104 S HA 0.269 4.739 4.470 -0.000 0.000 0.281 104 S C 0.445 175.112 174.600 0.111 0.000 1.117 104 S CA -0.835 57.426 58.200 0.102 0.000 0.873 104 S CB 1.011 64.238 63.200 0.046 0.000 1.108 104 S HN 0.033 nan 8.310 nan 0.000 0.477 105 I N 3.253 123.899 120.570 0.126 0.000 2.439 105 I HA 0.240 4.410 4.170 -0.000 0.000 0.251 105 I C 2.012 178.110 176.117 -0.032 0.000 1.139 105 I CA 2.054 63.413 61.300 0.099 0.000 1.438 105 I CB -0.729 37.357 38.000 0.144 0.000 1.085 105 I HN 0.851 nan 8.210 nan 0.000 0.427 106 G N -0.514 108.279 108.800 -0.012 0.000 2.484 106 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.218 106 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.218 106 G C 1.537 176.390 174.900 -0.078 0.000 1.130 106 G CA 0.894 45.962 45.100 -0.055 0.000 0.784 106 G HN 0.351 nan 8.290 nan 0.000 0.543 107 V N 0.589 120.463 119.914 -0.066 0.000 2.878 107 V HA 0.146 4.265 4.120 -0.000 0.000 0.250 107 V C 2.983 178.994 176.094 -0.137 0.000 1.075 107 V CA 1.447 63.700 62.300 -0.079 0.000 1.096 107 V CB 0.269 32.062 31.823 -0.051 0.000 0.724 107 V HN 0.413 nan 8.190 nan 0.000 0.467 108 A N 0.548 123.247 122.820 -0.202 0.000 2.016 108 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 108 A C 2.368 179.777 177.584 -0.292 0.000 1.162 108 A CA 1.829 53.669 52.037 -0.328 0.000 0.662 108 A CB -0.543 18.105 19.000 -0.587 0.000 0.812 108 A HN 0.587 nan 8.150 nan 0.000 0.450 109 T N -3.073 111.310 114.554 -0.285 0.000 3.054 109 T HA 0.313 4.662 4.350 -0.000 0.000 0.259 109 T C 1.871 176.486 174.700 -0.141 0.000 1.092 109 T CA 1.075 62.977 62.100 -0.330 0.000 1.121 109 T CB -0.170 68.393 68.868 -0.508 0.000 0.912 109 T HN 0.394 nan 8.240 nan 0.000 0.489 110 A N 1.839 124.591 122.820 -0.113 0.000 1.873 110 A HA 0.193 4.513 4.320 -0.000 0.000 0.215 110 A C 2.308 179.872 177.584 -0.033 0.000 1.186 110 A CA 1.097 53.103 52.037 -0.052 0.000 0.616 110 A CB -0.804 18.165 19.000 -0.053 0.000 0.823 110 A HN 0.543 nan 8.150 nan 0.000 0.442 111 I N -0.846 119.688 120.570 -0.059 0.000 2.361 111 I HA -0.266 3.904 4.170 -0.000 0.000 0.251 111 I C 2.669 178.771 176.117 -0.024 0.000 1.133 111 I CA 1.659 62.949 61.300 -0.015 0.000 1.413 111 I CB -0.219 37.769 38.000 -0.020 0.000 1.073 111 I HN 0.471 nan 8.210 nan 0.000 0.424 112 M N 0.648 120.167 119.600 -0.134 0.000 2.159 112 M HA -0.209 4.271 4.480 -0.000 0.000 0.263 112 M C 2.360 178.633 176.300 -0.044 0.000 1.063 112 M CA 2.090 57.220 55.300 -0.283 0.000 1.110 112 M CB -0.080 32.171 32.600 -0.581 0.000 1.374 112 M HN 0.258 nan 8.290 nan 0.000 0.411 113 A N 0.008 122.905 122.820 0.129 0.000 1.930 113 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 113 A C 1.898 179.533 177.584 0.085 0.000 1.175 113 A CA 1.685 53.799 52.037 0.127 0.000 0.627 113 A CB -0.698 18.308 19.000 0.010 0.000 0.815 113 A HN 0.715 nan 8.150 nan 0.000 0.443 114 Q N -0.578 119.265 119.800 0.072 0.000 2.167 114 Q HA -0.027 4.313 4.340 -0.000 0.000 0.202 114 Q C 1.937 178.010 176.000 0.122 0.000 0.970 114 Q CA 1.285 57.139 55.803 0.085 0.000 0.855 114 Q CB -0.262 28.522 28.738 0.078 0.000 0.911 114 Q HN 0.723 nan 8.270 nan 0.000 0.438 115 I N 0.338 120.990 120.570 0.137 0.000 2.286 115 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 115 I C 2.082 178.334 176.117 0.225 0.000 1.104 115 I CA 1.062 62.454 61.300 0.154 0.000 1.397 115 I CB -0.288 37.788 38.000 0.127 0.000 1.072 115 I HN 0.199 nan 8.210 nan 0.000 0.417 116 T N 0.985 115.728 114.554 0.316 0.000 2.665 116 T HA -0.237 4.113 4.350 -0.000 0.000 0.268 116 T C 2.054 176.859 174.700 0.174 0.000 1.035 116 T CA 1.670 63.982 62.100 0.353 0.000 1.151 116 T CB -0.392 68.703 68.868 0.379 0.000 0.862 116 T HN 0.486 nan 8.240 nan 0.000 0.438 117 A N 1.345 124.243 122.820 0.130 0.000 1.877 117 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 117 A C 2.413 180.069 177.584 0.121 0.000 1.186 117 A CA 1.261 53.359 52.037 0.102 0.000 0.620 117 A CB -0.551 18.503 19.000 0.089 0.000 0.822 117 A HN 0.340 nan 8.150 nan 0.000 0.443 118 Q N -0.387 119.493 119.800 0.134 0.000 2.084 118 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 118 Q C 2.364 178.486 176.000 0.203 0.000 0.978 118 Q CA 1.576 57.480 55.803 0.168 0.000 0.844 118 Q CB -0.727 28.070 28.738 0.098 0.000 0.898 118 Q HN 0.476 nan 8.270 nan 0.000 0.426 119 V N 1.188 121.156 119.914 0.090 0.000 2.307 119 V HA -0.235 3.885 4.120 -0.000 0.000 0.245 119 V C 2.402 178.534 176.094 0.063 0.000 1.045 119 V CA 1.633 63.947 62.300 0.023 0.000 1.024 119 V CB -1.057 30.737 31.823 -0.047 0.000 0.651 119 V HN 0.330 nan 8.190 nan 0.000 0.449 120 A N -0.418 122.437 122.820 0.058 0.000 1.948 120 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 120 A C 2.334 179.943 177.584 0.040 0.000 1.177 120 A CA 2.425 54.479 52.037 0.028 0.000 0.636 120 A CB -0.639 18.379 19.000 0.029 0.000 0.815 120 A HN 0.531 nan 8.150 nan 0.000 0.449 121 S N -1.498 114.253 115.700 0.085 0.000 2.603 121 S HA 0.023 4.493 4.470 -0.000 0.000 0.220 121 S C 0.836 175.361 174.600 -0.125 0.000 0.967 121 S CA 0.781 58.986 58.200 0.008 0.000 0.920 121 S CB -0.278 62.906 63.200 -0.027 0.000 0.773 121 S HN 0.803 nan 8.310 nan 0.000 0.529 122 H N 0.727 119.867 119.070 0.118 0.000 3.058 122 H HA 0.296 4.852 4.556 -0.000 0.000 0.266 122 H C 0.440 175.900 175.328 0.220 0.000 1.135 122 H CA -0.278 55.853 56.048 0.138 0.000 1.174 122 H CB 0.456 30.195 29.762 -0.039 0.000 1.581 122 H HN 0.455 nan 8.280 nan 0.000 0.553 123 Q N -0.470 119.467 119.800 0.228 0.000 2.501 123 Q HA 0.210 4.550 4.340 -0.000 0.000 0.288 123 Q C -0.697 175.139 176.000 -0.273 0.000 1.051 123 Q CA -1.171 54.662 55.803 0.050 0.000 0.788 123 Q CB 1.067 29.739 28.738 -0.110 0.000 1.469 123 Q HN 0.268 nan 8.270 nan 0.000 0.416 124 Y N -1.644 118.414 120.300 -0.402 0.000 2.458 124 Y HA 0.572 5.122 4.550 -0.000 0.000 0.256 124 Y C 0.414 175.976 175.900 -0.564 0.000 1.159 124 Y CA -0.240 57.364 58.100 -0.826 0.000 1.261 124 Y CB 0.255 37.798 38.460 -1.529 0.000 1.119 124 Y HN 0.634 nan 8.280 nan 0.000 0.524 125 G N 0.300 108.761 108.800 -0.564 0.000 2.613 125 G HA2 0.498 4.458 3.960 -0.000 0.000 0.303 125 G HA3 0.498 4.458 3.960 -0.000 0.000 0.303 125 G C 0.015 174.765 174.900 -0.250 0.000 1.312 125 G CA -0.535 44.351 45.100 -0.356 0.000 1.036 125 G HN 0.479 nan 8.290 nan 0.000 0.513 126 G N -1.493 107.208 108.800 -0.164 0.000 2.667 126 G HA2 0.452 4.412 3.960 -0.000 0.000 0.250 126 G HA3 0.452 4.412 3.960 -0.000 0.000 0.250 126 G C -0.416 174.420 174.900 -0.107 0.000 1.212 126 G CA 0.120 45.186 45.100 -0.056 0.000 0.874 126 G HN 0.589 nan 8.290 nan 0.000 0.561 127 T N 0.194 114.693 114.554 -0.093 0.000 2.848 127 T HA 0.573 4.923 4.350 -0.000 0.000 0.285 127 T C -0.321 174.235 174.700 -0.240 0.000 0.995 127 T CA -0.221 61.765 62.100 -0.189 0.000 0.970 127 T CB 1.745 70.503 68.868 -0.183 0.000 0.976 127 T HN 0.442 nan 8.240 nan 0.000 0.441 128 T N 2.982 117.334 114.554 -0.337 0.000 2.807 128 T HA 0.558 4.908 4.350 -0.000 0.000 0.279 128 T C -0.981 173.436 174.700 -0.471 0.000 0.993 128 T CA -0.447 61.478 62.100 -0.293 0.000 0.970 128 T CB 0.392 69.157 68.868 -0.172 0.000 0.950 128 T HN 0.339 nan 8.240 nan 0.000 0.441 129 F N 2.604 122.566 119.950 0.019 0.000 2.313 129 F HA 0.571 5.097 4.527 -0.000 0.000 0.369 129 F C 0.796 176.616 175.800 0.033 0.000 1.109 129 F CA -1.065 56.944 58.000 0.016 0.000 1.132 129 F CB 0.544 39.539 39.000 -0.008 0.000 1.291 129 F HN 0.622 nan 8.300 nan 0.000 0.496 130 A N 3.270 126.175 122.820 0.140 0.000 2.401 130 A HA 0.316 4.636 4.320 -0.000 0.000 0.259 130 A C 0.546 178.244 177.584 0.190 0.000 1.103 130 A CA -0.530 51.594 52.037 0.146 0.000 0.789 130 A CB -0.412 18.656 19.000 0.114 0.000 1.035 130 A HN 0.941 nan 8.150 nan 0.000 0.491 131 N N 0.424 119.259 118.700 0.224 0.000 2.688 131 N HA -0.196 4.544 4.740 -0.000 0.000 0.258 131 N C 0.627 176.253 175.510 0.194 0.000 1.016 131 N CA 0.484 53.671 53.050 0.229 0.000 0.747 131 N CB -1.493 37.107 38.487 0.188 0.000 0.895 131 N HN 0.965 nan 8.380 nan 0.000 0.543 132 V N -2.223 117.816 119.914 0.208 0.000 2.720 132 V HA -0.271 3.849 4.120 -0.000 0.000 0.256 132 V C 2.079 178.253 176.094 0.134 0.000 1.082 132 V CA 1.960 64.362 62.300 0.170 0.000 1.101 132 V CB -0.272 31.654 31.823 0.171 0.000 0.693 132 V HN 0.509 nan 8.190 nan 0.000 0.479 133 D N 0.792 121.265 120.400 0.122 0.000 2.097 133 D HA -0.189 4.451 4.640 -0.000 0.000 0.197 133 D C 1.948 178.274 176.300 0.044 0.000 0.984 133 D CA 1.553 55.581 54.000 0.048 0.000 0.826 133 D CB -0.468 40.371 40.800 0.065 0.000 0.973 133 D HN 0.399 nan 8.370 nan 0.000 0.460 134 K N 0.415 120.859 120.400 0.074 0.000 2.062 134 K HA 0.015 4.335 4.320 -0.000 0.000 0.205 134 K C 2.426 179.060 176.600 0.055 0.000 1.051 134 K CA 0.646 56.961 56.287 0.046 0.000 0.941 134 K CB -0.261 32.274 32.500 0.058 0.000 0.719 134 K HN 0.144 nan 8.250 nan 0.000 0.440 135 V N 1.905 121.878 119.914 0.099 0.000 2.358 135 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 135 V C 2.261 178.469 176.094 0.191 0.000 1.047 135 V CA 1.486 63.865 62.300 0.132 0.000 1.035 135 V CB -0.393 31.516 31.823 0.144 0.000 0.658 135 V HN 0.215 nan 8.190 nan 0.000 0.452 136 L N -0.482 120.856 121.223 0.191 0.000 2.509 136 L HA 0.018 4.358 4.340 -0.000 0.000 0.222 136 L C 2.549 179.535 176.870 0.193 0.000 1.123 136 L CA 0.573 55.596 54.840 0.305 0.000 0.856 136 L CB -0.326 41.892 42.059 0.266 0.000 0.985 136 L HN 0.305 nan 8.230 nan 0.000 0.456 137 S N 0.940 116.654 115.700 0.024 0.000 2.380 137 S HA -0.138 4.332 4.470 -0.000 0.000 0.229 137 S C -0.453 174.021 174.600 -0.209 0.000 1.043 137 S CA 1.746 59.875 58.200 -0.119 0.000 1.038 137 S CB -0.637 62.471 63.200 -0.153 0.000 0.872 137 S HN 0.225 nan 8.310 nan 0.000 0.456 138 P HA -0.071 nan 4.420 nan 0.000 0.218 138 P C 0.421 177.375 177.300 -0.577 0.000 1.148 138 P CA 1.107 63.914 63.100 -0.487 0.000 0.822 138 P CB -0.107 31.190 31.700 -0.672 0.000 0.784 139 Y N -1.920 118.384 120.300 0.006 0.000 2.475 139 Y HA -0.038 4.512 4.550 -0.000 0.000 0.289 139 Y C 2.261 178.187 175.900 0.043 0.000 1.121 139 Y CA 0.367 58.482 58.100 0.024 0.000 1.257 139 Y CB -1.324 37.143 38.460 0.011 0.000 1.026 139 Y HN -0.234 nan 8.280 nan 0.000 0.555 140 V N 0.118 120.075 119.914 0.071 0.000 2.453 140 V HA -0.225 3.895 4.120 -0.000 0.000 0.247 140 V C 2.197 178.353 176.094 0.103 0.000 1.048 140 V CA 1.561 63.907 62.300 0.077 0.000 1.049 140 V CB -0.394 31.394 31.823 -0.058 0.000 0.672 140 V HN 0.309 nan 8.190 nan 0.000 0.457 141 K N -0.142 120.257 120.400 -0.001 0.000 2.032 141 K HA -0.219 4.101 4.320 -0.000 0.000 0.209 141 K C 2.424 179.147 176.600 0.205 0.000 1.048 141 K CA 1.594 57.952 56.287 0.117 0.000 0.927 141 K CB -0.201 32.306 32.500 0.011 0.000 0.712 141 K HN 0.199 nan 8.250 nan 0.000 0.441 142 R N 0.263 120.827 120.500 0.107 0.000 2.083 142 R HA -0.101 4.238 4.340 -0.000 0.000 0.237 142 R C 2.307 178.693 176.300 0.143 0.000 1.137 142 R CA 1.938 58.106 56.100 0.114 0.000 0.951 142 R CB -0.686 29.673 30.300 0.098 0.000 0.851 142 R HN 0.130 nan 8.270 nan 0.000 0.434 143 T N -0.345 114.313 114.554 0.174 0.000 2.759 143 T HA -0.198 4.152 4.350 -0.000 0.000 0.269 143 T C 1.258 176.086 174.700 0.213 0.000 1.042 143 T CA 1.505 63.698 62.100 0.155 0.000 1.140 143 T CB -0.397 68.607 68.868 0.227 0.000 0.864 143 T HN 0.275 nan 8.240 nan 0.000 0.455 144 Y N 1.750 122.188 120.300 0.230 0.000 2.114 144 Y HA -0.017 4.533 4.550 -0.000 0.000 0.284 144 Y C 2.524 178.540 175.900 0.193 0.000 1.143 144 Y CA 0.957 59.225 58.100 0.280 0.000 1.135 144 Y CB -0.782 37.898 38.460 0.367 0.000 0.980 144 Y HN 0.185 nan 8.280 nan 0.000 0.499 145 A N -0.188 122.766 122.820 0.223 0.000 2.024 145 A HA -0.239 4.081 4.320 -0.000 0.000 0.220 145 A C 2.220 179.820 177.584 0.027 0.000 1.164 145 A CA 2.017 54.123 52.037 0.116 0.000 0.643 145 A CB -0.603 18.476 19.000 0.131 0.000 0.806 145 A HN 0.512 nan 8.150 nan 0.000 0.451 146 K N -1.664 118.726 120.400 -0.017 0.000 2.228 146 K HA -0.047 4.273 4.320 -0.000 0.000 0.202 146 K C 1.612 178.156 176.600 -0.095 0.000 1.051 146 K CA 0.784 57.023 56.287 -0.079 0.000 0.960 146 K CB -0.100 32.307 32.500 -0.154 0.000 0.743 146 K HN 0.584 nan 8.250 nan 0.000 0.458 147 H N -0.174 118.896 119.070 0.000 0.000 2.535 147 H HA 0.025 4.580 4.556 -0.000 0.000 0.273 147 H C 1.734 177.098 175.328 0.060 0.000 0.983 147 H CA 0.644 56.707 56.048 0.024 0.000 1.238 147 H CB 0.505 30.183 29.762 -0.139 0.000 1.412 147 H HN 0.108 nan 8.280 nan 0.000 0.562 148 I N 0.544 121.126 120.570 0.020 0.000 2.429 148 I HA -0.131 4.038 4.170 -0.000 0.000 0.247 148 I C 2.314 178.465 176.117 0.057 0.000 1.099 148 I CA 0.746 62.045 61.300 -0.002 0.000 1.422 148 I CB -0.712 37.233 38.000 -0.091 0.000 1.112 148 I HN 0.259 nan 8.210 nan 0.000 0.430 149 E N 0.472 120.702 120.200 0.050 0.000 2.515 149 E HA -0.231 4.119 4.350 -0.000 0.000 0.201 149 E C 0.842 177.489 176.600 0.078 0.000 1.071 149 E CA 0.995 57.423 56.400 0.048 0.000 0.880 149 E CB 0.111 29.832 29.700 0.035 0.000 0.828 149 E HN 0.312 nan 8.360 nan 0.000 0.540 150 D N -1.052 119.440 120.400 0.152 0.000 2.454 150 D HA 0.226 4.866 4.640 -0.000 0.000 0.214 150 D C 1.349 177.806 176.300 0.261 0.000 1.088 150 D CA 0.678 54.844 54.000 0.277 0.000 0.855 150 D CB 0.455 41.472 40.800 0.360 0.000 1.025 150 D HN 0.243 nan 8.370 nan 0.000 0.502 151 A N 0.605 123.518 122.820 0.154 0.000 2.123 151 A HA -0.021 4.299 4.320 -0.000 0.000 0.214 151 A C 1.805 179.389 177.584 0.001 0.000 1.152 151 A CA 1.109 53.148 52.037 0.002 0.000 0.728 151 A CB -0.266 18.789 19.000 0.091 0.000 0.814 151 A HN 0.343 nan 8.150 nan 0.000 0.464 152 E N -0.429 119.785 120.200 0.024 0.000 2.340 152 E HA 0.052 4.402 4.350 -0.000 0.000 0.198 152 E C 1.755 178.321 176.600 -0.057 0.000 0.961 152 E CA 0.563 56.956 56.400 -0.011 0.000 0.905 152 E CB -0.305 29.389 29.700 -0.009 0.000 0.884 152 E HN 0.411 nan 8.360 nan 0.000 0.491 153 K N 0.186 120.540 120.400 -0.076 0.000 2.283 153 K HA -0.092 4.228 4.320 -0.000 0.000 0.202 153 K C 0.080 176.372 176.600 -0.513 0.000 1.048 153 K CA 1.200 57.315 56.287 -0.287 0.000 0.948 153 K CB 0.005 32.325 32.500 -0.300 0.000 0.742 153 K HN 0.288 nan 8.250 nan 0.000 0.458 154 W N 1.563 122.816 121.300 -0.078 0.000 2.506 154 W HA 0.275 4.935 4.660 -0.000 0.000 0.394 154 W C -0.562 175.891 176.519 -0.110 0.000 0.920 154 W CA -0.699 56.590 57.345 -0.094 0.000 2.221 154 W CB 0.650 30.036 29.460 -0.123 0.000 1.197 154 W HN -0.050 nan 8.180 nan 0.000 0.627 155 Q N 0.851 120.665 119.800 0.024 0.000 2.388 155 Q HA -0.216 4.124 4.340 -0.000 0.000 0.346 155 Q C -0.036 175.961 176.000 -0.005 0.000 1.319 155 Q CA 1.096 56.898 55.803 -0.001 0.000 1.023 155 Q CB -1.928 26.806 28.738 -0.007 0.000 1.247 155 Q HN 0.521 nan 8.270 nan 0.000 0.411 156 I N -0.328 120.214 120.570 -0.046 0.000 2.533 156 I HA 0.031 4.201 4.170 -0.000 0.000 0.284 156 I C 1.837 177.917 176.117 -0.063 0.000 1.109 156 I CA 0.290 61.522 61.300 -0.114 0.000 1.412 156 I CB 0.853 38.641 38.000 -0.353 0.000 1.396 156 I HN 0.363 nan 8.210 nan 0.000 0.543 157 A N 5.693 128.490 122.820 -0.038 0.000 1.941 157 A HA -0.266 4.054 4.320 -0.000 0.000 0.220 157 A C 1.360 178.945 177.584 0.002 0.000 1.407 157 A CA 1.765 53.796 52.037 -0.011 0.000 0.766 157 A CB -0.482 18.516 19.000 -0.003 0.000 0.838 157 A HN 0.779 nan 8.150 nan 0.000 0.482 158 D N 0.132 120.543 120.400 0.017 0.000 2.597 158 D HA 0.466 5.106 4.640 -0.000 0.000 0.228 158 D C 1.261 177.605 176.300 0.073 0.000 1.120 158 D CA 0.637 54.663 54.000 0.043 0.000 1.083 158 D CB 0.156 40.990 40.800 0.057 0.000 1.116 158 D HN 0.411 nan 8.370 nan 0.000 0.487 159 A N 2.386 125.237 122.820 0.052 0.000 1.862 159 A HA -0.244 4.076 4.320 -0.000 0.000 0.214 159 A C 2.008 179.655 177.584 0.105 0.000 1.228 159 A CA 1.021 53.102 52.037 0.073 0.000 0.665 159 A CB -0.683 18.342 19.000 0.042 0.000 0.845 159 A HN 0.491 nan 8.150 nan 0.000 0.459 160 L N 0.042 121.311 121.223 0.076 0.000 2.270 160 L HA -0.195 4.145 4.340 -0.000 0.000 0.217 160 L C 2.114 179.039 176.870 0.093 0.000 1.107 160 L CA 2.150 57.043 54.840 0.089 0.000 0.772 160 L CB -1.166 40.936 42.059 0.071 0.000 0.902 160 L HN 0.595 nan 8.230 nan 0.000 0.439 161 N N -2.030 116.721 118.700 0.085 0.000 2.376 161 N HA -0.187 4.553 4.740 -0.000 0.000 0.177 161 N C 1.816 177.376 175.510 0.083 0.000 1.024 161 N CA 0.369 53.462 53.050 0.071 0.000 0.893 161 N CB -0.093 38.429 38.487 0.058 0.000 0.980 161 N HN 0.382 nan 8.380 nan 0.000 0.439 162 Y N 0.540 120.827 120.300 -0.021 0.000 2.263 162 Y HA 0.088 4.638 4.550 -0.000 0.000 0.292 162 Y C 2.006 177.855 175.900 -0.084 0.000 1.130 162 Y CA 1.388 59.462 58.100 -0.044 0.000 1.179 162 Y CB -0.453 37.991 38.460 -0.027 0.000 0.998 162 Y HN 0.098 nan 8.280 nan 0.000 0.532 163 A N 0.253 123.031 122.820 -0.071 0.000 1.832 163 A HA -0.219 4.101 4.320 -0.000 0.000 0.214 163 A C 2.136 179.687 177.584 -0.055 0.000 1.200 163 A CA 1.685 53.578 52.037 -0.240 0.000 0.610 163 A CB -1.186 17.470 19.000 -0.574 0.000 0.842 163 A HN 0.518 nan 8.150 nan 0.000 0.444 164 Q N 0.300 120.191 119.800 0.151 0.000 2.142 164 Q HA -0.249 4.091 4.340 -0.000 0.000 0.213 164 Q C 2.225 178.243 176.000 0.029 0.000 1.004 164 Q CA 2.934 58.822 55.803 0.141 0.000 0.883 164 Q CB -0.660 28.111 28.738 0.055 0.000 0.939 164 Q HN 0.609 nan 8.270 nan 0.000 0.413 165 S N -1.098 114.555 115.700 -0.077 0.000 2.338 165 S HA -0.129 4.341 4.470 -0.000 0.000 0.218 165 S C 1.691 176.162 174.600 -0.215 0.000 1.032 165 S CA 1.207 59.332 58.200 -0.126 0.000 0.999 165 S CB -0.208 62.909 63.200 -0.139 0.000 0.905 165 S HN 0.344 nan 8.310 nan 0.000 0.439 166 K N 0.833 120.953 120.400 -0.467 0.000 2.001 166 K HA -0.093 4.227 4.320 -0.000 0.000 0.214 166 K C 2.325 178.697 176.600 -0.380 0.000 1.050 166 K CA 2.028 57.910 56.287 -0.675 0.000 0.934 166 K CB -1.650 29.901 32.500 -1.581 0.000 0.718 166 K HN 0.459 nan 8.250 nan 0.000 0.443 167 T N 1.817 116.239 114.554 -0.220 0.000 2.653 167 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 167 T C 1.882 176.687 174.700 0.174 0.000 1.035 167 T CA 1.723 63.933 62.100 0.183 0.000 1.154 167 T CB -0.202 68.948 68.868 0.471 0.000 0.862 167 T HN 0.376 nan 8.240 nan 0.000 0.441 168 E N 0.392 120.666 120.200 0.123 0.000 2.085 168 E HA -0.172 4.177 4.350 -0.000 0.000 0.194 168 E C 2.335 179.004 176.600 0.116 0.000 0.994 168 E CA 1.124 57.599 56.400 0.124 0.000 0.801 168 E CB -0.099 29.642 29.700 0.070 0.000 0.743 168 E HN 0.416 nan 8.360 nan 0.000 0.453 169 K N 0.742 121.172 120.400 0.051 0.000 2.025 169 K HA -0.181 4.139 4.320 -0.000 0.000 0.207 169 K C 1.648 178.335 176.600 0.145 0.000 1.049 169 K CA 1.724 58.055 56.287 0.073 0.000 0.933 169 K CB 0.055 32.551 32.500 -0.008 0.000 0.714 169 K HN -0.058 nan 8.250 nan 0.000 0.438 170 D N 0.010 120.484 120.400 0.124 0.000 2.149 170 D HA -0.144 4.496 4.640 -0.000 0.000 0.198 170 D C 1.700 178.110 176.300 0.183 0.000 0.990 170 D CA 0.920 55.016 54.000 0.160 0.000 0.839 170 D CB 0.117 41.051 40.800 0.225 0.000 0.948 170 D HN 0.027 nan 8.370 nan 0.000 0.460 171 V N -0.191 119.859 119.914 0.228 0.000 2.649 171 V HA -0.171 3.949 4.120 -0.000 0.000 0.248 171 V C 1.846 178.166 176.094 0.377 0.000 1.054 171 V CA 0.959 63.437 62.300 0.296 0.000 1.073 171 V CB -0.449 31.539 31.823 0.275 0.000 0.699 171 V HN 0.229 nan 8.190 nan 0.000 0.463 172 Y N 1.639 122.044 120.300 0.175 0.000 2.109 172 Y HA -0.208 4.342 4.550 -0.000 0.000 0.285 172 Y C 2.397 178.399 175.900 0.169 0.000 1.131 172 Y CA 2.022 60.219 58.100 0.162 0.000 1.121 172 Y CB -0.426 38.091 38.460 0.094 0.000 0.987 172 Y HN 0.286 nan 8.280 nan 0.000 0.495 173 D N 0.417 120.955 120.400 0.229 0.000 2.203 173 D HA -0.244 4.396 4.640 -0.000 0.000 0.199 173 D C 2.196 178.495 176.300 -0.001 0.000 0.997 173 D CA 1.532 55.577 54.000 0.076 0.000 0.863 173 D CB -0.579 40.290 40.800 0.115 0.000 0.928 173 D HN 0.528 nan 8.370 nan 0.000 0.458 174 A N -0.037 122.796 122.820 0.022 0.000 1.898 174 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 174 A C 2.010 179.460 177.584 -0.224 0.000 1.181 174 A CA 0.887 52.861 52.037 -0.106 0.000 0.620 174 A CB -0.813 18.099 19.000 -0.146 0.000 0.819 174 A HN 0.156 nan 8.150 nan 0.000 0.442 175 F N -0.221 119.715 119.950 -0.023 0.000 2.293 175 F HA -0.054 4.473 4.527 -0.000 0.000 0.297 175 F C 2.564 178.367 175.800 0.005 0.000 1.089 175 F CA 1.398 59.398 58.000 -0.000 0.000 1.377 175 F CB -0.218 38.748 39.000 -0.056 0.000 1.051 175 F HN 0.372 nan 8.300 nan 0.000 0.511 176 Q N 0.641 120.445 119.800 0.007 0.000 2.124 176 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 176 Q C 2.200 178.286 176.000 0.143 0.000 0.977 176 Q CA 1.599 57.391 55.803 -0.019 0.000 0.850 176 Q CB -0.190 28.394 28.738 -0.257 0.000 0.901 176 Q HN 0.355 nan 8.270 nan 0.000 0.429 177 A N -0.276 122.569 122.820 0.041 0.000 1.970 177 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 177 A C 1.792 179.412 177.584 0.061 0.000 1.170 177 A CA 0.881 52.938 52.037 0.033 0.000 0.645 177 A CB -0.753 18.224 19.000 -0.039 0.000 0.816 177 A HN 0.658 nan 8.150 nan 0.000 0.447 178 Y N 0.638 120.906 120.300 -0.054 0.000 2.133 178 Y HA -0.182 4.368 4.550 -0.000 0.000 0.287 178 Y C 2.256 178.171 175.900 0.025 0.000 1.134 178 Y CA 2.236 60.296 58.100 -0.067 0.000 1.133 178 Y CB -0.473 37.898 38.460 -0.149 0.000 0.987 178 Y HN 0.450 nan 8.280 nan 0.000 0.502 179 E N -1.073 119.177 120.200 0.084 0.000 2.097 179 E HA -0.290 4.059 4.350 -0.000 0.000 0.196 179 E C 2.004 178.555 176.600 -0.081 0.000 1.000 179 E CA 1.844 58.248 56.400 0.007 0.000 0.804 179 E CB -0.448 29.306 29.700 0.089 0.000 0.740 179 E HN 0.619 nan 8.360 nan 0.000 0.454 180 Y N 0.363 120.612 120.300 -0.085 0.000 2.200 180 Y HA -0.173 4.377 4.550 -0.000 0.000 0.290 180 Y C 2.356 178.202 175.900 -0.091 0.000 1.137 180 Y CA 1.764 59.824 58.100 -0.067 0.000 1.163 180 Y CB -0.140 38.291 38.460 -0.048 0.000 0.988 180 Y HN 0.129 nan 8.280 nan 0.000 0.518 181 E N -0.317 119.893 120.200 0.016 0.000 2.110 181 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 181 E C 2.121 178.647 176.600 -0.124 0.000 0.988 181 E CA 1.257 57.622 56.400 -0.058 0.000 0.804 181 E CB -0.297 29.338 29.700 -0.109 0.000 0.745 181 E HN 0.196 nan 8.360 nan 0.000 0.458 182 V N 1.535 121.289 119.914 -0.266 0.000 2.490 182 V HA -0.214 3.906 4.120 -0.000 0.000 0.250 182 V C 1.760 177.796 176.094 -0.096 0.000 1.061 182 V CA 1.810 63.966 62.300 -0.240 0.000 1.064 182 V CB -0.456 31.164 31.823 -0.338 0.000 0.670 182 V HN 0.397 nan 8.190 nan 0.000 0.461 183 N N -0.376 118.281 118.700 -0.072 0.000 2.412 183 N HA -0.048 4.692 4.740 -0.000 0.000 0.184 183 N C 1.786 177.341 175.510 0.074 0.000 1.101 183 N CA 1.395 54.433 53.050 -0.019 0.000 0.881 183 N CB 0.500 38.935 38.487 -0.087 0.000 0.969 183 N HN 0.716 nan 8.380 nan 0.000 0.459 184 T N -1.821 112.787 114.554 0.090 0.000 3.026 184 T HA 0.091 4.441 4.350 -0.000 0.000 0.245 184 T C 0.823 175.641 174.700 0.197 0.000 1.004 184 T CA -0.366 61.811 62.100 0.128 0.000 1.069 184 T CB -0.283 68.624 68.868 0.065 0.000 1.005 184 T HN 0.013 nan 8.240 nan 0.000 0.472 185 L N 1.280 122.596 121.223 0.155 0.000 2.462 185 L HA 0.628 4.967 4.340 -0.000 0.000 0.272 185 L C -0.781 176.317 176.870 0.381 0.000 1.166 185 L CA -0.983 53.965 54.840 0.181 0.000 0.880 185 L CB -0.752 41.352 42.059 0.074 0.000 1.142 185 L HN -0.047 nan 8.230 nan 0.000 0.473 186 F N 1.513 121.458 119.950 -0.009 0.000 2.450 186 F HA 0.667 5.193 4.527 -0.000 0.000 0.328 186 F C 1.141 176.948 175.800 0.012 0.000 1.068 186 F CA -0.812 57.186 58.000 -0.002 0.000 1.007 186 F CB 1.690 40.697 39.000 0.011 0.000 1.251 186 F HN 0.737 nan 8.300 nan 0.000 0.492 187 S N -0.234 115.540 115.700 0.123 0.000 2.481 187 S HA 0.117 4.587 4.470 -0.000 0.000 0.267 187 S C 1.035 175.706 174.600 0.120 0.000 1.174 187 S CA 0.064 58.318 58.200 0.090 0.000 1.027 187 S CB 0.445 63.670 63.200 0.042 0.000 1.117 187 S HN 0.621 nan 8.310 nan 0.000 0.495 188 S N 0.990 116.746 115.700 0.092 0.000 2.631 188 S HA 0.005 4.475 4.470 -0.000 0.000 0.217 188 S C 0.682 175.345 174.600 0.105 0.000 0.958 188 S CA 0.368 58.624 58.200 0.093 0.000 0.920 188 S CB -0.680 62.560 63.200 0.067 0.000 0.776 188 S HN 0.670 nan 8.310 nan 0.000 0.517 189 N N 0.596 119.359 118.700 0.105 0.000 2.177 189 N HA 0.210 4.950 4.740 -0.000 0.000 0.218 189 N C 0.936 176.503 175.510 0.094 0.000 1.182 189 N CA 0.305 53.412 53.050 0.096 0.000 0.882 189 N CB -0.370 38.180 38.487 0.104 0.000 1.052 189 N HN 0.450 nan 8.380 nan 0.000 0.519 190 G N 0.315 109.211 108.800 0.160 0.000 2.314 190 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.292 190 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.292 190 G C -0.722 174.110 174.900 -0.113 0.000 1.059 190 G CA 0.183 45.469 45.100 0.310 0.000 0.982 190 G HN 0.460 nan 8.290 nan 0.000 0.505 191 Q N -1.054 118.484 119.800 -0.436 0.000 2.456 191 Q HA 0.555 4.894 4.340 -0.000 0.000 0.284 191 Q C -0.313 175.214 176.000 -0.788 0.000 1.061 191 Q CA -0.555 54.884 55.803 -0.606 0.000 0.799 191 Q CB 1.933 30.572 28.738 -0.165 0.000 1.445 191 Q HN 0.189 nan 8.270 nan 0.000 0.411 192 T N 2.844 116.966 114.554 -0.721 0.000 2.856 192 T HA 0.401 4.750 4.350 -0.000 0.000 0.292 192 T C -2.360 172.002 174.700 -0.562 0.000 0.980 192 T CA -1.169 60.604 62.100 -0.544 0.000 1.091 192 T CB 0.765 69.403 68.868 -0.385 0.000 0.936 192 T HN 0.191 nan 8.240 nan 0.000 0.503 193 P HA 0.141 nan 4.420 nan 0.000 0.268 193 P C -0.774 176.057 177.300 -0.782 0.000 1.205 193 P CA -0.216 62.688 63.100 -0.326 0.000 0.771 193 P CB 0.191 31.805 31.700 -0.144 0.000 0.858 194 F N 2.450 122.004 119.950 -0.661 0.000 2.368 194 F HA 0.340 4.867 4.527 -0.000 0.000 0.362 194 F C 0.714 176.311 175.800 -0.340 0.000 1.137 194 F CA -0.452 57.061 58.000 -0.811 0.000 1.161 194 F CB 0.291 39.057 39.000 -0.390 0.000 1.265 194 F HN -0.004 nan 8.300 nan 0.000 0.530 195 V N 3.038 122.866 119.914 -0.143 0.000 2.680 195 V HA 0.749 4.869 4.120 -0.000 0.000 0.309 195 V C -0.530 175.667 176.094 0.171 0.000 1.052 195 V CA -0.073 62.270 62.300 0.071 0.000 0.908 195 V CB 2.306 34.228 31.823 0.166 0.000 1.001 195 V HN 0.639 nan 8.190 nan 0.000 0.431 196 T N 7.548 122.176 114.554 0.124 0.000 2.861 196 T HA 0.640 4.990 4.350 -0.000 0.000 0.287 196 T C -0.906 173.867 174.700 0.122 0.000 1.003 196 T CA -0.295 61.859 62.100 0.089 0.000 0.977 196 T CB 1.200 70.075 68.868 0.011 0.000 0.996 196 T HN 0.554 nan 8.240 nan 0.000 0.448 197 I N 3.917 124.564 120.570 0.129 0.000 2.436 197 I HA 0.426 4.596 4.170 -0.000 0.000 0.289 197 I C 0.571 176.746 176.117 0.097 0.000 1.010 197 I CA -0.646 60.768 61.300 0.190 0.000 1.098 197 I CB 1.637 39.793 38.000 0.259 0.000 1.266 197 I HN 0.745 nan 8.210 nan 0.000 0.434 198 T N 3.892 118.484 114.554 0.062 0.000 2.887 198 T HA 0.879 5.229 4.350 -0.000 0.000 0.288 198 T C -0.658 174.053 174.700 0.018 0.000 1.021 198 T CA -0.492 61.497 62.100 -0.185 0.000 1.000 198 T CB 2.176 70.856 68.868 -0.313 0.000 1.034 198 T HN 0.413 nan 8.240 nan 0.000 0.467 199 F N -1.662 118.241 119.950 -0.079 0.000 2.831 199 F HA 0.882 5.409 4.527 -0.000 0.000 0.318 199 F C 0.757 176.600 175.800 0.072 0.000 1.174 199 F CA -0.578 57.443 58.000 0.036 0.000 0.918 199 F CB 0.864 39.854 39.000 -0.016 0.000 1.364 199 F HN 1.041 nan 8.300 nan 0.000 0.475 200 G N -0.369 108.655 108.800 0.374 0.000 2.705 200 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.193 200 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.193 200 G C 0.699 175.744 174.900 0.243 0.000 1.015 200 G CA 0.343 45.611 45.100 0.280 0.000 0.743 200 G HN 1.469 nan 8.290 nan 0.000 0.476 201 T N -0.162 114.537 114.554 0.243 0.000 3.144 201 T HA 0.519 4.868 4.350 -0.000 0.000 0.249 201 T C 1.168 175.926 174.700 0.097 0.000 1.089 201 T CA 1.081 63.259 62.100 0.130 0.000 0.989 201 T CB 0.594 69.485 68.868 0.038 0.000 0.992 201 T HN 1.251 nan 8.240 nan 0.000 0.540 202 G N -0.080 108.790 108.800 0.116 0.000 2.353 202 G HA2 0.474 4.434 3.960 -0.000 0.000 0.284 202 G HA3 0.474 4.434 3.960 -0.000 0.000 0.284 202 G C 0.323 175.260 174.900 0.062 0.000 1.172 202 G CA -0.404 44.738 45.100 0.069 0.000 0.854 202 G HN 0.262 nan 8.290 nan 0.000 0.485 203 T N 1.113 115.693 114.554 0.044 0.000 2.978 203 T HA 0.110 4.460 4.350 -0.000 0.000 0.248 203 T C 0.943 175.672 174.700 0.049 0.000 1.018 203 T CA -0.138 61.995 62.100 0.056 0.000 1.026 203 T CB 0.033 68.938 68.868 0.062 0.000 1.032 203 T HN 0.600 nan 8.240 nan 0.000 0.485 204 D N 1.194 121.601 120.400 0.011 0.000 2.443 204 D HA -0.077 4.563 4.640 -0.000 0.000 0.234 204 D C 1.142 177.426 176.300 -0.025 0.000 1.172 204 D CA 0.011 54.004 54.000 -0.013 0.000 0.878 204 D CB 0.599 41.329 40.800 -0.118 0.000 1.204 204 D HN 0.396 nan 8.370 nan 0.000 0.453 205 W N 2.553 123.843 121.300 -0.016 0.000 2.392 205 W HA -0.196 4.464 4.660 -0.000 0.000 0.279 205 W C 1.286 177.787 176.519 -0.031 0.000 1.225 205 W CA 1.523 58.851 57.345 -0.028 0.000 1.233 205 W CB -1.406 28.020 29.460 -0.057 0.000 1.122 205 W HN 0.325 nan 8.180 nan 0.000 0.561 206 T N -0.531 113.347 114.554 -1.126 0.000 2.896 206 T HA -0.124 4.225 4.350 -0.000 0.000 0.263 206 T C 1.505 175.960 174.700 -0.409 0.000 1.050 206 T CA 1.498 62.971 62.100 -1.046 0.000 1.140 206 T CB -0.620 67.552 68.868 -1.160 0.000 0.877 206 T HN 0.250 nan 8.240 nan 0.000 0.457 207 E N 1.447 121.472 120.200 -0.292 0.000 2.072 207 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 207 E C 2.634 179.182 176.600 -0.087 0.000 0.985 207 E CA 0.835 57.154 56.400 -0.136 0.000 0.801 207 E CB -0.135 29.521 29.700 -0.074 0.000 0.750 207 E HN 0.531 nan 8.360 nan 0.000 0.452 208 R N 0.471 120.942 120.500 -0.049 0.000 2.075 208 R HA -0.050 4.290 4.340 -0.000 0.000 0.232 208 R C 2.401 178.685 176.300 -0.027 0.000 1.126 208 R CA 1.185 57.285 56.100 0.001 0.000 0.963 208 R CB -0.453 29.887 30.300 0.066 0.000 0.858 208 R HN 0.194 nan 8.270 nan 0.000 0.435 209 M N 1.135 120.726 119.600 -0.014 0.000 2.080 209 M HA -0.172 4.308 4.480 -0.000 0.000 0.260 209 M C 2.177 178.416 176.300 -0.101 0.000 1.068 209 M CA 1.725 57.027 55.300 0.004 0.000 1.109 209 M CB -0.078 32.572 32.600 0.084 0.000 1.342 209 M HN 0.088 nan 8.290 nan 0.000 0.405 210 I N 0.002 120.464 120.570 -0.180 0.000 2.163 210 I HA -0.381 3.789 4.170 -0.000 0.000 0.243 210 I C 2.418 178.199 176.117 -0.559 0.000 1.085 210 I CA 1.674 62.736 61.300 -0.397 0.000 1.347 210 I CB -0.537 37.267 38.000 -0.328 0.000 1.044 210 I HN 0.456 nan 8.210 nan 0.000 0.408 211 Q N 0.631 120.186 119.800 -0.408 0.000 2.030 211 Q HA -0.269 4.071 4.340 -0.000 0.000 0.204 211 Q C 2.269 178.015 176.000 -0.423 0.000 0.986 211 Q CA 1.765 57.248 55.803 -0.534 0.000 0.843 211 Q CB -0.190 28.416 28.738 -0.221 0.000 0.904 211 Q HN 0.444 nan 8.270 nan 0.000 0.420 212 K N 0.477 120.756 120.400 -0.202 0.000 2.032 212 K HA -0.183 4.137 4.320 -0.000 0.000 0.209 212 K C 2.165 178.708 176.600 -0.094 0.000 1.048 212 K CA 1.226 57.455 56.287 -0.097 0.000 0.927 212 K CB -0.333 32.156 32.500 -0.020 0.000 0.712 212 K HN 0.197 nan 8.250 nan 0.000 0.441 213 A N 1.526 124.273 122.820 -0.121 0.000 1.884 213 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 213 A C 2.180 179.696 177.584 -0.113 0.000 1.197 213 A CA 1.866 53.885 52.037 -0.031 0.000 0.637 213 A CB -0.846 18.092 19.000 -0.103 0.000 0.827 213 A HN 0.239 nan 8.150 nan 0.000 0.450 214 I N -0.547 119.795 120.570 -0.380 0.000 2.179 214 I HA -0.267 3.903 4.170 -0.000 0.000 0.242 214 I C 2.436 178.466 176.117 -0.145 0.000 1.088 214 I CA 1.241 62.349 61.300 -0.320 0.000 1.357 214 I CB -0.355 37.284 38.000 -0.602 0.000 1.051 214 I HN 0.301 nan 8.210 nan 0.000 0.409 215 L N 0.172 121.299 121.223 -0.161 0.000 2.046 215 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 215 L C 2.581 179.486 176.870 0.058 0.000 1.077 215 L CA 1.329 56.166 54.840 -0.004 0.000 0.747 215 L CB -0.497 41.572 42.059 0.017 0.000 0.896 215 L HN 0.117 nan 8.230 nan 0.000 0.432 216 K N 0.477 120.923 120.400 0.076 0.000 2.002 216 K HA -0.209 4.111 4.320 -0.000 0.000 0.209 216 K C 1.893 178.634 176.600 0.235 0.000 1.048 216 K CA 1.778 58.161 56.287 0.161 0.000 0.930 216 K CB -0.235 32.392 32.500 0.210 0.000 0.714 216 K HN 0.135 nan 8.250 nan 0.000 0.438 217 N N -0.048 118.784 118.700 0.220 0.000 2.223 217 N HA -0.181 4.559 4.740 -0.000 0.000 0.185 217 N C 1.709 177.271 175.510 0.088 0.000 1.016 217 N CA 1.047 54.156 53.050 0.099 0.000 0.863 217 N CB 0.008 38.406 38.487 -0.147 0.000 0.983 217 N HN 0.005 nan 8.380 nan 0.000 0.429 218 R N 0.710 121.260 120.500 0.083 0.000 2.066 218 R HA 0.104 4.444 4.340 -0.000 0.000 0.232 218 R C 1.928 178.283 176.300 0.091 0.000 1.131 218 R CA 1.270 57.423 56.100 0.088 0.000 0.955 218 R CB -0.789 29.578 30.300 0.111 0.000 0.851 218 R HN 0.360 nan 8.270 nan 0.000 0.432 219 I N 0.786 121.416 120.570 0.098 0.000 2.163 219 I HA -0.308 3.861 4.170 -0.000 0.000 0.243 219 I C 2.213 178.381 176.117 0.086 0.000 1.085 219 I CA 1.635 62.986 61.300 0.085 0.000 1.347 219 I CB -0.388 37.661 38.000 0.082 0.000 1.044 219 I HN 0.148 nan 8.210 nan 0.000 0.408 220 K N 1.595 122.065 120.400 0.117 0.000 2.113 220 K HA -0.081 4.239 4.320 -0.000 0.000 0.208 220 K C 0.812 177.468 176.600 0.093 0.000 1.047 220 K CA 1.389 57.753 56.287 0.127 0.000 0.928 220 K CB -0.724 31.900 32.500 0.207 0.000 0.716 220 K HN 0.505 nan 8.250 nan 0.000 0.446 221 G N -1.053 107.791 108.800 0.073 0.000 2.756 221 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.678 221 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.678 221 G C -1.481 173.424 174.900 0.009 0.000 1.349 221 G CA -0.307 44.813 45.100 0.034 0.000 0.847 221 G HN 0.355 nan 8.290 nan 0.000 0.548 222 L N 1.740 122.925 121.223 -0.062 0.000 2.289 222 L HA 0.689 5.029 4.340 -0.000 0.000 0.285 222 L C 1.300 178.121 176.870 -0.083 0.000 1.049 222 L CA 2.018 56.743 54.840 -0.191 0.000 0.804 222 L CB 0.900 42.796 42.059 -0.272 0.000 1.195 222 L HN 2.795 nan 8.230 nan 0.000 0.428 223 G N 4.132 112.945 108.800 0.022 0.000 2.752 223 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.234 223 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.234 223 G C 0.730 175.708 174.900 0.131 0.000 1.367 223 G CA 0.392 45.590 45.100 0.163 0.000 0.879 223 G HN 0.914 nan 8.290 nan 0.000 0.563 224 R N -0.198 120.363 120.500 0.102 0.000 2.083 224 R HA -0.110 4.230 4.340 -0.000 0.000 0.237 224 R C 1.550 177.881 176.300 0.052 0.000 1.137 224 R CA 2.221 58.363 56.100 0.071 0.000 0.951 224 R CB -0.371 29.961 30.300 0.053 0.000 0.851 224 R HN 0.613 nan 8.270 nan 0.000 0.434 225 D N -0.467 119.956 120.400 0.038 0.000 2.319 225 D HA 0.063 4.703 4.640 -0.000 0.000 0.230 225 D C 0.485 176.799 176.300 0.024 0.000 1.094 225 D CA 0.810 54.825 54.000 0.025 0.000 0.856 225 D CB 0.172 40.981 40.800 0.014 0.000 0.915 225 D HN 0.503 nan 8.370 nan 0.000 0.517 226 G N 2.778 111.600 108.800 0.036 0.000 2.424 226 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.294 226 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.294 226 G C 0.601 175.508 174.900 0.011 0.000 0.939 226 G CA 0.606 45.727 45.100 0.034 0.000 1.143 226 G HN 0.572 nan 8.290 nan 0.000 0.507 227 I N -2.636 117.930 120.570 -0.007 0.000 3.211 227 I HA 0.578 4.748 4.170 -0.000 0.000 0.297 227 I C 0.619 176.721 176.117 -0.025 0.000 1.095 227 I CA -0.631 60.658 61.300 -0.018 0.000 1.239 227 I CB 0.748 38.731 38.000 -0.027 0.000 1.455 227 I HN 0.015 nan 8.210 nan 0.000 0.630 228 T N 4.231 118.769 114.554 -0.026 0.000 2.761 228 T HA 0.351 4.701 4.350 -0.000 0.000 0.296 228 T C -2.260 172.421 174.700 -0.033 0.000 0.934 228 T CA -0.674 61.414 62.100 -0.021 0.000 1.091 228 T CB 0.446 69.298 68.868 -0.026 0.000 0.896 228 T HN 0.503 nan 8.240 nan 0.000 0.515 229 P HA 0.333 nan 4.420 nan 0.000 0.275 229 P C 0.424 177.699 177.300 -0.042 0.000 1.228 229 P CA -0.387 62.691 63.100 -0.037 0.000 0.786 229 P CB 0.771 32.458 31.700 -0.022 0.000 0.927 230 I N 0.187 120.674 120.570 -0.138 0.000 3.035 230 I HA 0.091 4.261 4.170 -0.000 0.000 0.271 230 I C 0.131 175.848 176.117 -0.667 0.000 1.190 230 I CA 0.861 61.951 61.300 -0.351 0.000 1.472 230 I CB 0.064 37.805 38.000 -0.432 0.000 1.116 230 I HN 0.218 nan 8.210 nan 0.000 0.443 231 F N -0.188 119.737 119.950 -0.041 0.000 2.613 231 F HA 0.456 4.983 4.527 -0.000 0.000 0.310 231 F C -2.629 173.136 175.800 -0.059 0.000 1.085 231 F CA -2.791 55.163 58.000 -0.077 0.000 0.945 231 F CB 0.932 39.837 39.000 -0.159 0.000 1.298 231 F HN -0.380 nan 8.300 nan 0.000 0.455 232 P HA 0.169 nan 4.420 nan 0.000 0.275 232 P C -0.879 176.404 177.300 -0.028 0.000 1.228 232 P CA -0.507 62.717 63.100 0.207 0.000 0.786 232 P CB 0.661 32.524 31.700 0.271 0.000 0.927 233 K N 1.766 122.121 120.400 -0.074 0.000 2.295 233 K HA 0.309 4.629 4.320 -0.000 0.000 0.270 233 K C -0.316 176.052 176.600 -0.387 0.000 1.011 233 K CA -0.192 55.721 56.287 -0.624 0.000 0.953 233 K CB 0.226 32.563 32.500 -0.272 0.000 0.956 233 K HN 0.425 nan 8.250 nan 0.000 0.477 234 L N 3.049 123.963 121.223 -0.515 0.000 2.333 234 L HA 0.461 4.801 4.340 -0.000 0.000 0.280 234 L C -0.833 175.968 176.870 -0.115 0.000 1.004 234 L CA -1.082 53.706 54.840 -0.086 0.000 0.820 234 L CB 1.771 43.922 42.059 0.154 0.000 1.247 234 L HN 0.264 nan 8.230 nan 0.000 0.416 235 V N 4.035 123.773 119.914 -0.294 0.000 2.588 235 V HA 0.495 4.615 4.120 -0.000 0.000 0.304 235 V C -0.305 175.257 176.094 -0.886 0.000 1.042 235 V CA -0.443 61.605 62.300 -0.419 0.000 0.877 235 V CB 2.231 33.798 31.823 -0.426 0.000 0.996 235 V HN 0.788 nan 8.190 nan 0.000 0.425 236 M N 4.307 123.432 119.600 -0.792 0.000 2.383 236 M HA 0.662 5.142 4.480 -0.000 0.000 0.325 236 M C -1.660 174.277 176.300 -0.605 0.000 1.092 236 M CA -0.439 54.330 55.300 -0.885 0.000 0.961 236 M CB 1.644 33.920 32.600 -0.540 0.000 1.672 236 M HN 0.505 nan 8.290 nan 0.000 0.438 237 F N 3.549 123.344 119.950 -0.258 0.000 2.399 237 F HA 0.495 5.022 4.527 -0.000 0.000 0.342 237 F C 0.182 175.924 175.800 -0.097 0.000 1.106 237 F CA -0.454 57.459 58.000 -0.145 0.000 1.196 237 F CB 1.267 40.209 39.000 -0.096 0.000 1.163 237 F HN 0.358 nan 8.300 nan 0.000 0.547 238 V N 0.376 120.361 119.914 0.118 0.000 2.525 238 V HA 0.704 4.824 4.120 -0.000 0.000 0.299 238 V C -0.993 175.130 176.094 0.048 0.000 1.034 238 V CA -0.634 61.699 62.300 0.055 0.000 0.863 238 V CB 1.431 33.251 31.823 -0.006 0.000 0.999 238 V HN 0.857 nan 8.190 nan 0.000 0.423 239 E N 2.538 122.765 120.200 0.045 0.000 2.340 239 E HA 0.413 4.763 4.350 -0.000 0.000 0.273 239 E C -0.774 175.844 176.600 0.030 0.000 0.891 239 E CA -0.722 55.694 56.400 0.028 0.000 0.757 239 E CB 2.412 32.129 29.700 0.029 0.000 1.231 239 E HN 0.966 nan 8.360 nan 0.000 0.439 240 E N 1.971 122.195 120.200 0.039 0.000 2.384 240 E HA 0.223 4.573 4.350 -0.000 0.000 0.266 240 E C 0.269 176.960 176.600 0.152 0.000 1.012 240 E CA 1.058 57.530 56.400 0.119 0.000 0.901 240 E CB 0.327 30.172 29.700 0.242 0.000 0.967 240 E HN 0.780 nan 8.360 nan 0.000 0.435 241 G N 2.396 111.320 108.800 0.206 0.000 2.132 241 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.228 241 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.228 241 G C 0.317 175.291 174.900 0.123 0.000 1.000 241 G CA 0.093 45.286 45.100 0.154 0.000 0.693 241 G HN 0.516 nan 8.290 nan 0.000 0.515 242 V N -1.883 118.110 119.914 0.133 0.000 3.742 242 V HA 0.168 4.288 4.120 -0.000 0.000 0.178 242 V C 1.600 177.783 176.094 0.148 0.000 1.450 242 V CA 0.869 63.243 62.300 0.123 0.000 1.165 242 V CB -0.122 31.759 31.823 0.098 0.000 1.156 242 V HN 0.200 nan 8.190 nan 0.000 0.565 243 N N 0.328 119.109 118.700 0.135 0.000 2.557 243 N HA 0.217 4.956 4.740 -0.000 0.000 0.217 243 N C 1.615 177.218 175.510 0.156 0.000 1.062 243 N CA 1.143 54.277 53.050 0.140 0.000 0.863 243 N CB 1.111 39.661 38.487 0.104 0.000 1.390 243 N HN 0.543 nan 8.380 nan 0.000 0.445 244 L N -1.856 119.393 121.223 0.044 0.000 2.477 244 L HA 0.368 4.707 4.340 -0.000 0.000 0.220 244 L C -0.314 176.581 176.870 0.042 0.000 1.106 244 L CA 0.163 54.986 54.840 -0.028 0.000 0.851 244 L CB -0.247 41.656 42.059 -0.260 0.000 0.994 244 L HN -0.177 nan 8.230 nan 0.000 0.462 245 Y N 0.940 121.417 120.300 0.296 0.000 2.387 245 Y HA 0.392 4.942 4.550 -0.000 0.000 0.336 245 Y C 1.081 176.891 175.900 -0.150 0.000 1.067 245 Y CA -1.179 56.996 58.100 0.125 0.000 1.114 245 Y CB 1.318 39.809 38.460 0.052 0.000 1.208 245 Y HN -0.182 nan 8.280 nan 0.000 0.458 246 K N 0.273 120.368 120.400 -0.508 0.000 2.374 246 K HA -0.187 4.133 4.320 -0.000 0.000 0.202 246 K C 0.500 176.808 176.600 -0.488 0.000 1.044 246 K CA 1.741 57.283 56.287 -1.241 0.000 0.933 246 K CB -0.092 32.007 32.500 -0.668 0.000 0.745 246 K HN 0.640 nan 8.250 nan 0.000 0.474 247 D N 0.403 120.716 120.400 -0.145 0.000 2.367 247 D HA -0.017 4.622 4.640 -0.000 0.000 0.207 247 D C -0.250 176.088 176.300 0.063 0.000 1.034 247 D CA 0.210 54.194 54.000 -0.026 0.000 0.861 247 D CB 0.147 40.941 40.800 -0.011 0.000 0.943 247 D HN 0.219 nan 8.370 nan 0.000 0.515 248 D N 1.655 122.138 120.400 0.139 0.000 2.362 248 D HA 0.034 4.674 4.640 -0.000 0.000 0.242 248 D C -1.359 175.044 176.300 0.172 0.000 1.132 248 D CA -1.332 52.771 54.000 0.172 0.000 0.907 248 D CB 1.043 41.974 40.800 0.218 0.000 1.195 248 D HN -0.109 nan 8.370 nan 0.000 0.429 249 P HA -0.152 nan 4.420 nan 0.000 0.215 249 P C 0.466 177.857 177.300 0.153 0.000 1.163 249 P CA 1.280 64.457 63.100 0.128 0.000 0.894 249 P CB 0.218 31.983 31.700 0.108 0.000 0.791 250 N N -1.999 116.798 118.700 0.163 0.000 2.346 250 N HA -0.004 4.736 4.740 -0.000 0.000 0.225 250 N C 0.976 176.598 175.510 0.186 0.000 1.144 250 N CA -0.075 53.070 53.050 0.159 0.000 0.837 250 N CB -0.727 37.843 38.487 0.137 0.000 1.069 250 N HN 0.254 nan 8.380 nan 0.000 0.487 251 Y N 2.415 122.777 120.300 0.104 0.000 2.274 251 Y HA -0.212 4.337 4.550 -0.000 0.000 0.290 251 Y C 1.856 177.818 175.900 0.103 0.000 1.145 251 Y CA 1.574 59.739 58.100 0.108 0.000 1.203 251 Y CB 0.163 38.687 38.460 0.107 0.000 0.984 251 Y HN 0.146 nan 8.280 nan 0.000 0.533 252 D N -0.324 120.180 120.400 0.173 0.000 2.224 252 D HA -0.196 4.444 4.640 -0.000 0.000 0.205 252 D C 1.995 178.310 176.300 0.025 0.000 0.965 252 D CA 1.422 55.473 54.000 0.086 0.000 0.852 252 D CB -0.757 40.115 40.800 0.120 0.000 0.947 252 D HN 0.509 nan 8.370 nan 0.000 0.494 253 I N 0.631 121.232 120.570 0.053 0.000 2.286 253 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 253 I C 2.722 178.878 176.117 0.064 0.000 1.104 253 I CA 0.760 62.100 61.300 0.068 0.000 1.397 253 I CB -0.325 37.737 38.000 0.103 0.000 1.072 253 I HN -0.027 nan 8.210 nan 0.000 0.417 254 K N 0.827 121.235 120.400 0.014 0.000 2.113 254 K HA -0.254 4.066 4.320 -0.000 0.000 0.208 254 K C 2.214 178.780 176.600 -0.057 0.000 1.047 254 K CA 1.471 57.771 56.287 0.022 0.000 0.928 254 K CB 0.043 32.472 32.500 -0.118 0.000 0.716 254 K HN 0.245 nan 8.250 nan 0.000 0.446 255 Q N 0.617 120.301 119.800 -0.193 0.000 2.050 255 Q HA -0.168 4.171 4.340 -0.000 0.000 0.202 255 Q C 2.187 178.151 176.000 -0.060 0.000 0.980 255 Q CA 1.101 56.807 55.803 -0.162 0.000 0.840 255 Q CB -0.443 28.218 28.738 -0.128 0.000 0.898 255 Q HN 0.303 nan 8.270 nan 0.000 0.424 256 L N 0.763 121.983 121.223 -0.004 0.000 2.046 256 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 256 L C 2.160 179.077 176.870 0.078 0.000 1.077 256 L CA 2.116 56.977 54.840 0.035 0.000 0.747 256 L CB -1.012 41.076 42.059 0.049 0.000 0.896 256 L HN 0.151 nan 8.230 nan 0.000 0.432 257 A N -0.653 122.254 122.820 0.145 0.000 1.883 257 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 257 A C 2.280 180.000 177.584 0.227 0.000 1.186 257 A CA 2.104 54.312 52.037 0.286 0.000 0.624 257 A CB -0.929 18.340 19.000 0.449 0.000 0.822 257 A HN 0.486 nan 8.150 nan 0.000 0.444 258 L N -0.808 120.394 121.223 -0.035 0.000 2.012 258 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 258 L C 2.704 179.483 176.870 -0.152 0.000 1.073 258 L CA 1.974 56.593 54.840 -0.368 0.000 0.748 258 L CB -0.518 41.240 42.059 -0.501 0.000 0.891 258 L HN 0.577 nan 8.230 nan 0.000 0.431 259 E N -0.441 119.715 120.200 -0.072 0.000 2.049 259 E HA -0.329 4.021 4.350 -0.000 0.000 0.198 259 E C 2.378 178.987 176.600 0.015 0.000 1.007 259 E CA 2.004 58.386 56.400 -0.030 0.000 0.809 259 E CB -0.197 29.500 29.700 -0.005 0.000 0.749 259 E HN 0.579 nan 8.360 nan 0.000 0.450 260 C N 0.463 119.802 119.300 0.064 0.000 2.393 260 C HA -0.206 4.254 4.460 -0.000 0.000 0.276 260 C C 2.967 178.025 174.990 0.114 0.000 1.215 260 C CA 1.731 60.812 59.018 0.106 0.000 1.743 260 C CB -1.297 26.539 27.740 0.161 0.000 2.044 260 C HN 0.620 nan 8.230 nan 0.000 0.464 261 A N 0.546 123.460 122.820 0.157 0.000 1.917 261 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 261 A C 2.331 179.949 177.584 0.055 0.000 1.182 261 A CA 2.873 55.010 52.037 0.167 0.000 0.633 261 A CB -1.176 18.016 19.000 0.320 0.000 0.819 261 A HN 0.993 nan 8.150 nan 0.000 0.448 262 S N -0.840 114.862 115.700 0.004 0.000 2.474 262 S HA -0.055 4.414 4.470 -0.000 0.000 0.235 262 S C 1.480 176.072 174.600 -0.014 0.000 0.997 262 S CA 1.402 59.587 58.200 -0.025 0.000 0.949 262 S CB -0.139 63.030 63.200 -0.052 0.000 0.766 262 S HN 0.659 nan 8.310 nan 0.000 0.517 263 K N -0.034 120.369 120.400 0.006 0.000 2.380 263 K HA 0.304 4.624 4.320 -0.000 0.000 0.198 263 K C 1.085 177.689 176.600 0.008 0.000 1.070 263 K CA -0.102 56.188 56.287 0.006 0.000 1.040 263 K CB 0.516 33.026 32.500 0.017 0.000 0.903 263 K HN 0.179 nan 8.250 nan 0.000 0.549 264 R N -0.356 120.156 120.500 0.020 0.000 2.549 264 R HA 0.278 4.618 4.340 -0.000 0.000 0.399 264 R C 0.402 176.686 176.300 -0.026 0.000 0.964 264 R CA 0.044 56.156 56.100 0.020 0.000 1.173 264 R CB 0.543 30.889 30.300 0.076 0.000 1.535 264 R HN 0.030 nan 8.270 nan 0.000 0.551 265 M N -0.562 119.001 119.600 -0.062 0.000 2.851 265 M HA -0.301 4.179 4.480 -0.000 0.000 0.163 265 M C -0.858 175.353 176.300 -0.148 0.000 0.674 265 M CA 1.729 56.921 55.300 -0.181 0.000 0.624 265 M CB -1.054 31.317 32.600 -0.382 0.000 2.270 265 M HN 0.146 nan 8.290 nan 0.000 0.266 266 Y N 1.875 122.212 120.300 0.061 0.000 2.316 266 Y HA 0.530 5.080 4.550 -0.000 0.000 0.324 266 Y C -1.947 174.046 175.900 0.157 0.000 1.267 266 Y CA -2.033 56.124 58.100 0.095 0.000 1.311 266 Y CB -0.198 38.311 38.460 0.081 0.000 1.267 266 Y HN 0.152 nan 8.280 nan 0.000 0.516 267 P HA 0.105 nan 4.420 nan 0.000 0.279 267 P C -0.974 176.472 177.300 0.242 0.000 1.252 267 P CA -0.350 62.949 63.100 0.332 0.000 0.811 267 P CB 1.441 33.262 31.700 0.202 0.000 1.035 268 D N 0.531 121.054 120.400 0.204 0.000 2.388 268 D HA 0.461 5.101 4.640 -0.000 0.000 0.254 268 D C 0.401 176.653 176.300 -0.080 0.000 1.111 268 D CA -0.140 53.920 54.000 0.099 0.000 0.993 268 D CB 0.954 41.913 40.800 0.266 0.000 1.118 268 D HN 0.364 nan 8.370 nan 0.000 0.502 269 I N -2.733 117.760 120.570 -0.130 0.000 2.892 269 I HA 0.605 4.775 4.170 -0.000 0.000 0.306 269 I C -0.984 175.128 176.117 -0.009 0.000 1.078 269 I CA -0.938 60.213 61.300 -0.249 0.000 1.032 269 I CB 2.201 39.854 38.000 -0.579 0.000 1.229 269 I HN 0.128 nan 8.210 nan 0.000 0.435 270 I N 2.515 123.034 120.570 -0.086 0.000 2.545 270 I HA 0.223 4.393 4.170 -0.000 0.000 0.292 270 I C -0.084 176.095 176.117 0.103 0.000 1.040 270 I CA -0.630 60.706 61.300 0.060 0.000 1.068 270 I CB 2.308 40.334 38.000 0.043 0.000 1.251 270 I HN 0.716 nan 8.210 nan 0.000 0.424 271 S N 4.994 120.741 115.700 0.079 0.000 2.416 271 S HA 0.315 4.784 4.470 -0.000 0.000 0.302 271 S C 1.151 175.778 174.600 0.045 0.000 1.120 271 S CA -0.057 58.167 58.200 0.040 0.000 1.067 271 S CB 0.938 64.137 63.200 -0.001 0.000 1.057 271 S HN 0.750 nan 8.310 nan 0.000 0.518 272 A N 6.169 129.023 122.820 0.057 0.000 1.927 272 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 272 A C 2.136 179.696 177.584 -0.038 0.000 1.185 272 A CA 2.080 54.102 52.037 -0.026 0.000 0.639 272 A CB -0.736 18.232 19.000 -0.053 0.000 0.820 272 A HN 0.920 nan 8.150 nan 0.000 0.451 273 K N -0.552 119.840 120.400 -0.014 0.000 1.978 273 K HA -0.242 4.078 4.320 -0.000 0.000 0.214 273 K C 1.619 178.220 176.600 0.002 0.000 1.049 273 K CA 1.915 58.198 56.287 -0.007 0.000 0.939 273 K CB -0.423 32.078 32.500 0.000 0.000 0.721 273 K HN 0.454 nan 8.250 nan 0.000 0.441 274 N N 1.253 119.960 118.700 0.012 0.000 2.244 274 N HA -0.167 4.573 4.740 -0.000 0.000 0.183 274 N C 1.650 177.121 175.510 -0.065 0.000 1.016 274 N CA 0.932 54.003 53.050 0.035 0.000 0.866 274 N CB -0.707 37.814 38.487 0.056 0.000 0.980 274 N HN 0.423 nan 8.380 nan 0.000 0.430 275 N N 1.778 120.427 118.700 -0.087 0.000 2.120 275 N HA -0.130 4.610 4.740 -0.000 0.000 0.188 275 N C 1.202 176.646 175.510 -0.110 0.000 1.024 275 N CA 1.107 54.072 53.050 -0.143 0.000 0.852 275 N CB 0.116 38.543 38.487 -0.099 0.000 1.003 275 N HN 0.247 nan 8.380 nan 0.000 0.424 276 K N 0.180 120.536 120.400 -0.073 0.000 2.155 276 K HA 0.041 4.361 4.320 -0.000 0.000 0.203 276 K C 2.065 178.652 176.600 -0.020 0.000 1.052 276 K CA 0.945 57.200 56.287 -0.054 0.000 0.948 276 K CB -0.050 32.416 32.500 -0.056 0.000 0.728 276 K HN 0.201 nan 8.250 nan 0.000 0.448 277 A N 1.257 124.078 122.820 0.002 0.000 1.929 277 A HA -0.082 4.238 4.320 -0.000 0.000 0.216 277 A C 2.033 179.647 177.584 0.050 0.000 1.176 277 A CA 1.045 53.107 52.037 0.042 0.000 0.628 277 A CB -0.381 18.674 19.000 0.092 0.000 0.816 277 A HN 0.134 nan 8.150 nan 0.000 0.444 278 I N 0.025 120.598 120.570 0.005 0.000 2.233 278 I HA -0.179 3.991 4.170 -0.000 0.000 0.243 278 I C 2.803 178.921 176.117 0.001 0.000 1.093 278 I CA 1.807 63.091 61.300 -0.026 0.000 1.380 278 I CB -0.420 37.462 38.000 -0.197 0.000 1.067 278 I HN 0.525 nan 8.210 nan 0.000 0.413 279 T N -2.029 112.514 114.554 -0.017 0.000 2.985 279 T HA 0.113 4.463 4.350 -0.000 0.000 0.266 279 T C 1.660 176.384 174.700 0.040 0.000 1.076 279 T CA 0.746 62.859 62.100 0.022 0.000 1.135 279 T CB 0.115 68.992 68.868 0.015 0.000 0.890 279 T HN 0.533 nan 8.240 nan 0.000 0.480 280 G N 0.844 109.659 108.800 0.024 0.000 2.143 280 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.249 280 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.249 280 G C 0.152 175.064 174.900 0.021 0.000 0.981 280 G CA 0.391 45.508 45.100 0.028 0.000 0.665 280 G HN 1.054 nan 8.290 nan 0.000 0.528 281 S N -0.158 115.549 115.700 0.013 0.000 2.554 281 S HA 0.634 5.104 4.470 -0.000 0.000 0.278 281 S C 1.626 176.216 174.600 -0.017 0.000 1.242 281 S CA 0.773 58.977 58.200 0.006 0.000 1.051 281 S CB 1.385 64.590 63.200 0.008 0.000 0.986 281 S HN 1.367 nan 8.310 nan 0.000 0.502 282 S N 2.605 118.294 115.700 -0.018 0.000 2.593 282 S HA 0.198 4.668 4.470 -0.000 0.000 0.217 282 S C 0.453 175.021 174.600 -0.053 0.000 0.966 282 S CA 0.142 58.324 58.200 -0.030 0.000 0.914 282 S CB -0.789 62.398 63.200 -0.021 0.000 0.776 282 S HN 1.134 nan 8.310 nan 0.000 0.523 283 V N -2.738 117.136 119.914 -0.068 0.000 2.789 283 V HA 0.698 4.818 4.120 -0.000 0.000 0.311 283 V C -3.341 172.643 176.094 -0.182 0.000 1.073 283 V CA -3.173 59.055 62.300 -0.120 0.000 0.921 283 V CB 1.323 33.091 31.823 -0.092 0.000 1.009 283 V HN -0.131 nan 8.190 nan 0.000 0.426 284 P HA 0.107 nan 4.420 nan 0.000 0.263 284 P C -0.507 176.612 177.300 -0.301 0.000 1.175 284 P CA 0.245 63.028 63.100 -0.529 0.000 0.761 284 P CB 0.438 31.308 31.700 -1.385 0.000 0.794 285 V N 3.889 123.777 119.914 -0.043 0.000 2.333 285 V HA 0.152 4.272 4.120 -0.000 0.000 0.274 285 V C 0.420 176.747 176.094 0.390 0.000 1.028 285 V CA -0.199 62.194 62.300 0.155 0.000 0.851 285 V CB 0.966 32.889 31.823 0.167 0.000 1.000 285 V HN 0.498 nan 8.190 nan 0.000 0.456 286 S N 7.880 123.779 115.700 0.333 0.000 2.564 286 S HA 0.320 4.790 4.470 -0.000 0.000 0.278 286 S C -2.184 172.410 174.600 -0.010 0.000 1.333 286 S CA -0.637 57.694 58.200 0.219 0.000 1.048 286 S CB 0.876 64.148 63.200 0.119 0.000 0.900 286 S HN 0.661 nan 8.310 nan 0.000 0.505 287 P HA 0.179 nan 4.420 nan 0.000 0.280 287 P C -0.980 176.097 177.300 -0.372 0.000 1.244 287 P CA -0.279 62.386 63.100 -0.725 0.000 0.784 287 P CB 0.442 31.565 31.700 -0.962 0.000 0.913 288 M N 2.323 121.723 119.600 -0.333 0.000 2.162 288 M HA 0.378 4.857 4.480 -0.000 0.000 0.356 288 M C 1.329 177.511 176.300 -0.197 0.000 1.303 288 M CA 0.637 55.797 55.300 -0.233 0.000 1.116 288 M CB 0.333 32.792 32.600 -0.235 0.000 1.632 288 M HN 0.745 nan 8.290 nan 0.000 0.469 289 G N 1.887 110.611 108.800 -0.127 0.000 2.547 289 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.271 289 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.271 289 G C 0.674 175.575 174.900 0.001 0.000 1.209 289 G CA -0.090 44.989 45.100 -0.036 0.000 0.959 289 G HN 0.775 nan 8.290 nan 0.000 0.563 290 C N 0.965 120.295 119.300 0.049 0.000 2.442 290 C HA 0.144 4.604 4.460 -0.000 0.000 0.279 290 C C 2.028 177.050 174.990 0.052 0.000 1.237 290 C CA 2.043 61.093 59.018 0.052 0.000 1.722 290 C CB -0.957 26.764 27.740 -0.031 0.000 2.056 290 C HN 0.878 nan 8.230 nan 0.000 0.469 291 R N -0.783 119.700 120.500 -0.029 0.000 2.521 291 R HA 0.152 4.492 4.340 -0.000 0.000 0.436 291 R C -0.428 175.687 176.300 -0.309 0.000 0.917 291 R CA 0.188 56.201 56.100 -0.145 0.000 1.080 291 R CB -0.637 29.668 30.300 0.008 0.000 1.530 291 R HN 0.297 nan 8.270 nan 0.000 0.596 292 S N 1.283 116.828 115.700 -0.259 0.000 2.465 292 S HA 0.564 5.034 4.470 -0.000 0.000 0.279 292 S C -0.848 173.475 174.600 -0.461 0.000 1.201 292 S CA -0.388 57.700 58.200 -0.188 0.000 1.053 292 S CB 0.049 63.105 63.200 -0.240 0.000 0.953 292 S HN 0.248 nan 8.310 nan 0.000 0.488 293 F N 4.388 124.327 119.950 -0.018 0.000 2.443 293 F HA 0.520 5.047 4.527 -0.000 0.000 0.335 293 F C 0.340 176.129 175.800 -0.018 0.000 1.104 293 F CA -0.856 57.123 58.000 -0.036 0.000 1.013 293 F CB 1.146 40.124 39.000 -0.037 0.000 1.136 293 F HN 0.363 nan 8.300 nan 0.000 0.470 294 L N 1.555 122.877 121.223 0.165 0.000 2.421 294 L HA 0.448 4.788 4.340 -0.000 0.000 0.263 294 L C 0.501 177.451 176.870 0.132 0.000 1.122 294 L CA -0.458 54.435 54.840 0.087 0.000 0.804 294 L CB 1.310 43.387 42.059 0.030 0.000 1.150 294 L HN 0.649 nan 8.230 nan 0.000 0.457 295 S N 0.439 116.207 115.700 0.113 0.000 2.687 295 S HA 0.380 4.850 4.470 -0.000 0.000 0.283 295 S C -0.418 174.265 174.600 0.139 0.000 1.170 295 S CA -0.679 57.596 58.200 0.124 0.000 1.008 295 S CB 1.725 65.003 63.200 0.130 0.000 1.026 295 S HN 0.369 nan 8.310 nan 0.000 0.541 296 V N 3.354 123.345 119.914 0.129 0.000 2.673 296 V HA 0.340 4.460 4.120 -0.000 0.000 0.303 296 V C -0.654 175.580 176.094 0.233 0.000 1.046 296 V CA 0.443 62.828 62.300 0.141 0.000 1.126 296 V CB 0.325 32.197 31.823 0.082 0.000 0.934 296 V HN 0.814 nan 8.190 nan 0.000 0.487 297 W N 6.504 127.811 121.300 0.012 0.000 3.127 297 W HA 0.604 5.264 4.660 -0.000 0.000 0.330 297 W C -0.959 175.563 176.519 0.006 0.000 1.187 297 W CA -0.982 56.369 57.345 0.010 0.000 1.198 297 W CB 1.613 31.078 29.460 0.007 0.000 1.408 297 W HN 0.427 nan 8.180 nan 0.000 0.529 298 K N 3.395 123.300 120.400 -0.825 0.000 2.316 298 K HA 0.260 4.580 4.320 -0.000 0.000 0.251 298 K C -0.379 175.360 176.600 -1.435 0.000 0.934 298 K CA -0.860 54.951 56.287 -0.793 0.000 0.802 298 K CB 1.812 34.042 32.500 -0.449 0.000 1.171 298 K HN 0.517 nan 8.250 nan 0.000 0.426 299 D N 0.244 120.171 120.400 -0.790 0.000 2.380 299 D HA -0.068 4.572 4.640 -0.000 0.000 0.254 299 D C 0.956 177.042 176.300 -0.357 0.000 1.288 299 D CA -0.327 53.341 54.000 -0.553 0.000 1.008 299 D CB 0.338 41.091 40.800 -0.078 0.000 1.099 299 D HN 0.400 nan 8.370 nan 0.000 0.537 300 S N -1.962 113.638 115.700 -0.166 0.000 2.469 300 S HA -0.135 4.335 4.470 -0.000 0.000 0.238 300 S C 1.248 175.792 174.600 -0.093 0.000 0.998 300 S CA 0.953 59.087 58.200 -0.109 0.000 0.957 300 S CB -0.789 62.391 63.200 -0.035 0.000 0.764 300 S HN 0.543 nan 8.310 nan 0.000 0.514 301 T N 0.799 115.301 114.554 -0.088 0.000 3.176 301 T HA 0.546 4.896 4.350 -0.000 0.000 0.263 301 T C 1.178 175.831 174.700 -0.079 0.000 1.021 301 T CA 0.194 62.256 62.100 -0.064 0.000 0.905 301 T CB 0.174 69.021 68.868 -0.034 0.000 1.057 301 T HN 0.769 nan 8.240 nan 0.000 0.558 302 G N 2.146 110.872 108.800 -0.124 0.000 2.179 302 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.260 302 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.260 302 G C -0.085 174.747 174.900 -0.115 0.000 0.977 302 G CA -0.414 44.610 45.100 -0.126 0.000 0.641 302 G HN 0.556 nan 8.290 nan 0.000 0.533 303 N N 1.014 119.652 118.700 -0.104 0.000 2.514 303 N HA 0.457 5.197 4.740 -0.000 0.000 0.277 303 N C -0.109 175.364 175.510 -0.061 0.000 1.126 303 N CA -0.198 52.815 53.050 -0.061 0.000 0.978 303 N CB 0.751 39.225 38.487 -0.021 0.000 1.106 303 N HN 0.369 nan 8.380 nan 0.000 0.461 304 E N 2.136 122.324 120.200 -0.020 0.000 2.104 304 E HA 0.102 4.451 4.350 -0.000 0.000 0.278 304 E C -0.282 176.368 176.600 0.084 0.000 1.127 304 E CA -0.136 56.276 56.400 0.021 0.000 0.897 304 E CB 0.457 30.168 29.700 0.018 0.000 1.043 304 E HN 0.329 nan 8.360 nan 0.000 0.410 305 I N 4.241 124.920 120.570 0.182 0.000 2.392 305 I HA 0.105 4.274 4.170 -0.000 0.000 0.295 305 I C 0.495 176.724 176.117 0.186 0.000 0.985 305 I CA -0.164 61.269 61.300 0.222 0.000 1.221 305 I CB 1.338 39.565 38.000 0.377 0.000 1.366 305 I HN 0.564 nan 8.210 nan 0.000 0.467 306 L N 2.975 124.263 121.223 0.108 0.000 2.920 306 L HA 0.317 4.656 4.340 -0.000 0.000 0.168 306 L C 0.153 177.038 176.870 0.025 0.000 1.141 306 L CA 0.704 55.582 54.840 0.065 0.000 0.859 306 L CB -0.286 41.806 42.059 0.056 0.000 1.398 306 L HN 0.422 nan 8.230 nan 0.000 0.517 307 D N 0.877 121.298 120.400 0.035 0.000 2.487 307 D HA 0.399 5.038 4.640 -0.000 0.000 0.243 307 D C 1.149 177.458 176.300 0.014 0.000 1.154 307 D CA 1.442 55.455 54.000 0.022 0.000 0.876 307 D CB 0.563 41.391 40.800 0.046 0.000 1.161 307 D HN 0.566 nan 8.370 nan 0.000 0.478 308 G N 2.365 111.159 108.800 -0.011 0.000 2.176 308 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.232 308 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.232 308 G C 0.467 175.267 174.900 -0.166 0.000 0.986 308 G CA -0.307 44.799 45.100 0.010 0.000 0.643 308 G HN 0.506 nan 8.290 nan 0.000 0.522 309 R N 0.369 120.740 120.500 -0.215 0.000 2.532 309 R HA 0.621 4.961 4.340 -0.000 0.000 0.272 309 R C 0.482 176.513 176.300 -0.448 0.000 1.032 309 R CA 0.153 56.046 56.100 -0.344 0.000 1.089 309 R CB 0.698 30.849 30.300 -0.249 0.000 1.098 309 R HN 0.604 nan 8.270 nan 0.000 0.526 310 N N -0.578 117.802 118.700 -0.534 0.000 3.278 310 N HA 0.255 4.995 4.740 -0.000 0.000 0.307 310 N C -1.658 173.580 175.510 -0.452 0.000 1.551 310 N CA -1.072 51.654 53.050 -0.540 0.000 0.794 310 N CB 0.885 38.893 38.487 -0.798 0.000 1.770 310 N HN 0.463 nan 8.380 nan 0.000 0.612 311 N N -1.366 117.068 118.700 -0.443 0.000 2.238 311 N HA 0.403 5.142 4.740 -0.000 0.000 0.302 311 N C -0.962 174.288 175.510 -0.434 0.000 1.072 311 N CA -0.657 52.154 53.050 -0.399 0.000 0.792 311 N CB 1.242 39.511 38.487 -0.363 0.000 1.425 311 N HN 0.519 nan 8.380 nan 0.000 0.478 312 L N 1.724 122.704 121.223 -0.404 0.000 2.607 312 L HA 0.559 4.899 4.340 -0.000 0.000 0.228 312 L C 0.916 177.659 176.870 -0.211 0.000 1.123 312 L CA 0.357 54.969 54.840 -0.378 0.000 0.890 312 L CB -0.683 41.123 42.059 -0.423 0.000 1.103 312 L HN 0.831 nan 8.230 nan 0.000 0.468 313 G N -1.690 107.000 108.800 -0.183 0.000 2.347 313 G HA2 0.297 4.257 3.960 -0.000 0.000 0.321 313 G HA3 0.297 4.257 3.960 -0.000 0.000 0.321 313 G C -1.893 172.946 174.900 -0.101 0.000 1.412 313 G CA -0.668 44.397 45.100 -0.059 0.000 0.990 313 G HN -0.237 nan 8.290 nan 0.000 0.637 314 V N -0.454 119.432 119.914 -0.047 0.000 2.709 314 V HA 0.773 4.893 4.120 -0.000 0.000 0.308 314 V C -0.286 175.929 176.094 0.201 0.000 1.062 314 V CA -0.797 61.487 62.300 -0.025 0.000 0.901 314 V CB 1.848 33.498 31.823 -0.288 0.000 1.003 314 V HN 0.963 nan 8.190 nan 0.000 0.425 315 V N 3.044 123.123 119.914 0.276 0.000 2.525 315 V HA 0.482 4.601 4.120 -0.000 0.000 0.299 315 V C -0.000 176.349 176.094 0.426 0.000 1.034 315 V CA -0.254 62.248 62.300 0.338 0.000 0.863 315 V CB 2.384 34.328 31.823 0.202 0.000 0.999 315 V HN 0.964 nan 8.190 nan 0.000 0.423 316 T N 6.185 121.061 114.554 0.537 0.000 2.829 316 T HA 0.505 4.855 4.350 -0.000 0.000 0.282 316 T C -0.415 174.575 174.700 0.484 0.000 0.990 316 T CA -0.262 62.164 62.100 0.544 0.000 1.028 316 T CB 1.246 70.502 68.868 0.646 0.000 0.951 316 T HN 0.411 nan 8.240 nan 0.000 0.460 317 L N 3.851 125.311 121.223 0.395 0.000 2.275 317 L HA 0.439 4.779 4.340 -0.000 0.000 0.288 317 L C 0.034 177.005 176.870 0.169 0.000 1.046 317 L CA -0.734 54.259 54.840 0.256 0.000 0.805 317 L CB 1.009 43.202 42.059 0.225 0.000 1.193 317 L HN 0.541 nan 8.230 nan 0.000 0.426 318 N N 5.226 123.852 118.700 -0.124 0.000 2.439 318 N HA 0.128 4.868 4.740 -0.000 0.000 0.243 318 N C 0.804 176.237 175.510 -0.128 0.000 1.088 318 N CA -0.059 52.726 53.050 -0.442 0.000 0.940 318 N CB 0.727 38.556 38.487 -1.097 0.000 1.180 318 N HN 0.687 nan 8.380 nan 0.000 0.505 319 L N 4.409 125.632 121.223 -0.001 0.000 2.027 319 L HA -0.015 4.324 4.340 -0.000 0.000 0.206 319 L C -0.624 176.244 176.870 -0.002 0.000 1.074 319 L CA 1.068 55.953 54.840 0.074 0.000 0.745 319 L CB -1.251 40.898 42.059 0.149 0.000 0.898 319 L HN 0.401 nan 8.230 nan 0.000 0.433 320 P HA -0.189 nan 4.420 nan 0.000 0.215 320 P C 1.402 178.630 177.300 -0.120 0.000 1.153 320 P CA 1.147 64.078 63.100 -0.281 0.000 0.853 320 P CB -0.008 31.236 31.700 -0.761 0.000 0.788 321 R N -0.117 120.339 120.500 -0.074 0.000 2.193 321 R HA -0.035 4.305 4.340 -0.000 0.000 0.229 321 R C 1.925 178.276 176.300 0.086 0.000 1.110 321 R CA 1.185 57.292 56.100 0.013 0.000 0.988 321 R CB -1.366 28.931 30.300 -0.006 0.000 0.871 321 R HN 0.182 nan 8.270 nan 0.000 0.458 322 I N -0.422 120.225 120.570 0.128 0.000 2.406 322 I HA -0.102 4.068 4.170 -0.000 0.000 0.249 322 I C 2.230 178.591 176.117 0.407 0.000 1.122 322 I CA 1.036 62.462 61.300 0.210 0.000 1.431 322 I CB -0.354 37.754 38.000 0.180 0.000 1.087 322 I HN 0.234 nan 8.210 nan 0.000 0.424 323 A N 1.174 124.255 122.820 0.434 0.000 1.873 323 A HA -0.118 4.202 4.320 -0.000 0.000 0.215 323 A C 2.309 180.101 177.584 0.347 0.000 1.186 323 A CA 1.218 53.530 52.037 0.458 0.000 0.616 323 A CB -0.857 18.188 19.000 0.076 0.000 0.823 323 A HN 0.310 nan 8.150 nan 0.000 0.442 324 L N -0.255 120.972 121.223 0.007 0.000 1.990 324 L HA -0.239 4.101 4.340 -0.000 0.000 0.213 324 L C 1.842 178.666 176.870 -0.077 0.000 1.072 324 L CA 1.735 56.360 54.840 -0.358 0.000 0.755 324 L CB -0.732 40.932 42.059 -0.659 0.000 0.889 324 L HN 0.312 nan 8.230 nan 0.000 0.432 325 D N -0.714 119.777 120.400 0.152 0.000 2.384 325 D HA -0.099 4.541 4.640 -0.000 0.000 0.222 325 D C 1.887 178.345 176.300 0.264 0.000 0.976 325 D CA 1.174 55.342 54.000 0.280 0.000 0.915 325 D CB 0.021 40.962 40.800 0.234 0.000 0.896 325 D HN 0.364 nan 8.370 nan 0.000 0.523 326 S N -1.235 114.658 115.700 0.321 0.000 2.554 326 S HA 0.069 4.539 4.470 -0.000 0.000 0.226 326 S C 0.371 175.099 174.600 0.213 0.000 0.980 326 S CA -0.661 57.690 58.200 0.252 0.000 0.939 326 S CB -0.136 63.241 63.200 0.295 0.000 0.832 326 S HN -0.034 nan 8.310 nan 0.000 0.486 327 Y N 1.901 122.270 120.300 0.115 0.000 2.336 327 Y HA 0.462 5.012 4.550 -0.000 0.000 0.331 327 Y C 0.453 176.396 175.900 0.071 0.000 1.211 327 Y CA -1.276 56.880 58.100 0.093 0.000 1.346 327 Y CB 0.478 38.978 38.460 0.067 0.000 1.271 327 Y HN 0.196 nan 8.280 nan 0.000 0.538 328 I N 3.436 124.065 120.570 0.098 0.000 2.382 328 I HA 0.311 4.481 4.170 -0.000 0.000 0.286 328 I C 0.826 177.005 176.117 0.103 0.000 1.002 328 I CA -0.245 61.102 61.300 0.077 0.000 1.135 328 I CB 0.601 38.601 38.000 0.001 0.000 1.288 328 I HN 0.848 nan 8.210 nan 0.000 0.448 329 G N 5.824 114.704 108.800 0.134 0.000 2.622 329 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.307 329 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.307 329 G C 0.692 175.714 174.900 0.203 0.000 1.226 329 G CA 0.790 45.968 45.100 0.130 0.000 0.997 329 G HN 0.727 nan 8.290 nan 0.000 0.551 330 T N -0.709 113.949 114.554 0.173 0.000 3.145 330 T HA 0.487 4.837 4.350 -0.000 0.000 0.255 330 T C 0.653 175.494 174.700 0.235 0.000 1.039 330 T CA 1.096 63.351 62.100 0.258 0.000 0.928 330 T CB -0.059 68.904 68.868 0.158 0.000 1.029 330 T HN 1.098 nan 8.240 nan 0.000 0.554 331 Q N 0.282 120.089 119.800 0.012 0.000 2.387 331 Q HA 0.638 4.977 4.340 -0.000 0.000 0.273 331 Q C -0.996 174.603 176.000 -0.668 0.000 1.089 331 Q CA -1.279 54.368 55.803 -0.260 0.000 0.824 331 Q CB 1.247 29.912 28.738 -0.121 0.000 1.367 331 Q HN 0.137 nan 8.270 nan 0.000 0.443 332 F N 2.230 121.578 119.950 -1.003 0.000 2.518 332 F HA 0.183 4.710 4.527 -0.000 0.000 0.359 332 F C -0.155 175.414 175.800 -0.384 0.000 1.118 332 F CA -0.132 57.334 58.000 -0.890 0.000 1.287 332 F CB 0.758 39.392 39.000 -0.611 0.000 1.132 332 F HN 0.727 nan 8.300 nan 0.000 0.587 333 N N 5.215 123.317 118.700 -0.996 0.000 2.626 333 N HA 0.047 4.787 4.740 -0.000 0.000 0.249 333 N C 0.657 175.594 175.510 -0.955 0.000 1.021 333 N CA -0.123 52.500 53.050 -0.712 0.000 0.886 333 N CB 0.862 39.144 38.487 -0.341 0.000 1.149 333 N HN 0.954 nan 8.380 nan 0.000 0.517 334 E N 1.866 121.564 120.200 -0.836 0.000 2.086 334 E HA -0.315 4.035 4.350 -0.000 0.000 0.200 334 E C 1.230 177.735 176.600 -0.157 0.000 1.012 334 E CA 1.678 57.801 56.400 -0.463 0.000 0.812 334 E CB 0.323 29.935 29.700 -0.147 0.000 0.743 334 E HN 0.556 nan 8.360 nan 0.000 0.453 335 Q N 0.989 120.709 119.800 -0.133 0.000 2.124 335 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 335 Q C 1.848 177.835 176.000 -0.022 0.000 0.977 335 Q CA 1.897 57.672 55.803 -0.046 0.000 0.850 335 Q CB -0.144 28.565 28.738 -0.047 0.000 0.901 335 Q HN 0.003 nan 8.270 nan 0.000 0.429 336 K N -0.681 119.679 120.400 -0.067 0.000 2.097 336 K HA -0.077 4.243 4.320 -0.000 0.000 0.205 336 K C 1.657 178.299 176.600 0.070 0.000 1.050 336 K CA 1.056 57.335 56.287 -0.013 0.000 0.938 336 K CB -0.709 31.767 32.500 -0.040 0.000 0.718 336 K HN 0.296 nan 8.250 nan 0.000 0.442 337 F N 0.200 120.091 119.950 -0.098 0.000 2.075 337 F HA -0.160 4.367 4.527 -0.000 0.000 0.297 337 F C 1.837 177.708 175.800 0.118 0.000 1.113 337 F CA 1.330 59.363 58.000 0.056 0.000 1.218 337 F CB -0.601 38.477 39.000 0.130 0.000 0.984 337 F HN -0.161 nan 8.300 nan 0.000 0.472 338 V N 0.693 120.683 119.914 0.127 0.000 2.252 338 V HA -0.366 3.754 4.120 -0.000 0.000 0.249 338 V C 2.278 178.412 176.094 0.068 0.000 1.056 338 V CA 2.529 64.873 62.300 0.073 0.000 1.022 338 V CB -0.757 31.125 31.823 0.097 0.000 0.641 338 V HN 0.385 nan 8.190 nan 0.000 0.445 339 E N -0.291 119.940 120.200 0.051 0.000 2.110 339 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 339 E C 2.210 178.828 176.600 0.030 0.000 0.988 339 E CA 1.206 57.633 56.400 0.044 0.000 0.804 339 E CB -0.192 29.528 29.700 0.034 0.000 0.745 339 E HN 0.510 nan 8.360 nan 0.000 0.458 340 L N -0.034 121.198 121.223 0.015 0.000 2.072 340 L HA -0.118 4.222 4.340 -0.000 0.000 0.205 340 L C 2.382 179.232 176.870 -0.032 0.000 1.079 340 L CA 0.719 55.561 54.840 0.004 0.000 0.752 340 L CB -0.318 41.758 42.059 0.029 0.000 0.906 340 L HN 0.143 nan 8.230 nan 0.000 0.436 341 F N 1.544 121.332 119.950 -0.271 0.000 2.095 341 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 341 F C 2.368 178.071 175.800 -0.162 0.000 1.104 341 F CA 1.702 59.522 58.000 -0.300 0.000 1.232 341 F CB -0.270 38.453 39.000 -0.461 0.000 0.987 341 F HN 0.116 nan 8.300 nan 0.000 0.475 342 N N 0.519 119.200 118.700 -0.030 0.000 2.188 342 N HA -0.192 4.548 4.740 -0.000 0.000 0.184 342 N C 1.923 177.384 175.510 -0.083 0.000 1.018 342 N CA 1.454 54.467 53.050 -0.061 0.000 0.858 342 N CB -0.638 37.910 38.487 0.102 0.000 0.989 342 N HN 0.551 nan 8.380 nan 0.000 0.426 343 E N 1.051 121.225 120.200 -0.042 0.000 2.072 343 E HA -0.085 4.265 4.350 -0.000 0.000 0.191 343 E C 1.735 178.321 176.600 -0.024 0.000 0.985 343 E CA 0.801 57.193 56.400 -0.013 0.000 0.801 343 E CB 0.146 29.851 29.700 0.008 0.000 0.750 343 E HN 0.265 nan 8.360 nan 0.000 0.452 344 R N -0.541 119.913 120.500 -0.076 0.000 2.148 344 R HA -0.030 4.309 4.340 -0.000 0.000 0.223 344 R C 2.379 178.626 176.300 -0.089 0.000 1.088 344 R CA 0.925 56.989 56.100 -0.060 0.000 0.985 344 R CB -0.049 30.214 30.300 -0.062 0.000 0.880 344 R HN 0.265 nan 8.270 nan 0.000 0.451 345 M N 0.657 120.103 119.600 -0.256 0.000 2.099 345 M HA -0.132 4.348 4.480 -0.000 0.000 0.262 345 M C 1.259 177.650 176.300 0.152 0.000 1.067 345 M CA 1.649 56.846 55.300 -0.173 0.000 1.124 345 M CB -0.705 31.476 32.600 -0.699 0.000 1.353 345 M HN -0.027 nan 8.290 nan 0.000 0.410 346 D N 0.516 120.961 120.400 0.075 0.000 2.123 346 D HA -0.147 4.493 4.640 -0.000 0.000 0.196 346 D C 1.968 178.340 176.300 0.120 0.000 0.992 346 D CA 0.885 54.948 54.000 0.105 0.000 0.833 346 D CB -0.383 40.464 40.800 0.077 0.000 0.954 346 D HN 0.217 nan 8.370 nan 0.000 0.455 347 L N 0.294 121.589 121.223 0.119 0.000 2.012 347 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 347 L C 2.110 179.010 176.870 0.050 0.000 1.073 347 L CA 1.672 56.603 54.840 0.152 0.000 0.748 347 L CB -0.710 41.439 42.059 0.150 0.000 0.891 347 L HN 0.085 nan 8.230 nan 0.000 0.431 348 C N -0.613 118.725 119.300 0.064 0.000 2.413 348 C HA -0.194 4.266 4.460 -0.000 0.000 0.276 348 C C 2.603 177.534 174.990 -0.098 0.000 1.248 348 C CA 1.062 60.122 59.018 0.070 0.000 1.742 348 C CB -1.393 26.486 27.740 0.232 0.000 2.017 348 C HN 0.746 nan 8.230 nan 0.000 0.481 349 F N 2.066 121.720 119.950 -0.493 0.000 2.134 349 F HA -0.138 4.389 4.527 -0.000 0.000 0.299 349 F C 2.256 177.779 175.800 -0.462 0.000 1.097 349 F CA 2.180 59.580 58.000 -1.001 0.000 1.264 349 F CB -0.466 37.536 39.000 -1.664 0.000 1.001 349 F HN 0.140 nan 8.300 nan 0.000 0.479 350 E N 0.252 120.244 120.200 -0.346 0.000 2.204 350 E HA -0.090 4.260 4.350 -0.000 0.000 0.194 350 E C 2.170 178.580 176.600 -0.316 0.000 0.989 350 E CA 1.140 57.370 56.400 -0.283 0.000 0.824 350 E CB -0.367 29.374 29.700 0.070 0.000 0.756 350 E HN 0.474 nan 8.360 nan 0.000 0.477 351 A N -0.072 122.590 122.820 -0.264 0.000 1.897 351 A HA -0.076 4.244 4.320 -0.000 0.000 0.215 351 A C 2.115 179.574 177.584 -0.207 0.000 1.181 351 A CA 0.889 52.792 52.037 -0.223 0.000 0.620 351 A CB -0.500 18.416 19.000 -0.142 0.000 0.821 351 A HN 0.261 nan 8.150 nan 0.000 0.443 352 L N -1.011 120.088 121.223 -0.207 0.000 2.056 352 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 352 L C 2.708 179.425 176.870 -0.255 0.000 1.078 352 L CA 0.923 55.676 54.840 -0.145 0.000 0.749 352 L CB -0.416 41.679 42.059 0.060 0.000 0.901 352 L HN 0.300 nan 8.230 nan 0.000 0.433 353 M N -0.937 118.411 119.600 -0.421 0.000 2.200 353 M HA -0.181 4.299 4.480 -0.000 0.000 0.265 353 M C 2.613 178.753 176.300 -0.267 0.000 1.066 353 M CA 1.240 56.296 55.300 -0.406 0.000 1.127 353 M CB -1.680 30.557 32.600 -0.605 0.000 1.379 353 M HN 0.471 nan 8.290 nan 0.000 0.420 354 C N 2.295 121.448 119.300 -0.245 0.000 2.413 354 C HA -0.193 4.267 4.460 -0.000 0.000 0.276 354 C C 3.016 177.922 174.990 -0.141 0.000 1.248 354 C CA 1.554 60.471 59.018 -0.169 0.000 1.742 354 C CB -0.853 26.780 27.740 -0.177 0.000 2.017 354 C HN 0.633 nan 8.230 nan 0.000 0.481 355 R N 0.450 120.859 120.500 -0.151 0.000 2.161 355 R HA 0.133 4.473 4.340 -0.000 0.000 0.213 355 R C 2.138 178.372 176.300 -0.110 0.000 1.055 355 R CA 1.460 57.494 56.100 -0.110 0.000 0.996 355 R CB -0.658 29.585 30.300 -0.096 0.000 0.901 355 R HN 0.491 nan 8.270 nan 0.000 0.456 356 I N 1.502 121.960 120.570 -0.185 0.000 2.394 356 I HA -0.173 3.997 4.170 -0.000 0.000 0.251 356 I C 1.819 177.861 176.117 -0.125 0.000 1.136 356 I CA 1.083 62.242 61.300 -0.234 0.000 1.425 356 I CB -0.123 37.575 38.000 -0.504 0.000 1.079 356 I HN 0.197 nan 8.210 nan 0.000 0.425 357 S N 0.332 115.969 115.700 -0.106 0.000 2.447 357 S HA -0.124 4.346 4.470 -0.000 0.000 0.233 357 S C 2.132 176.721 174.600 -0.019 0.000 1.006 357 S CA 1.438 59.612 58.200 -0.043 0.000 0.957 357 S CB -0.161 63.013 63.200 -0.045 0.000 0.773 357 S HN 0.615 nan 8.310 nan 0.000 0.507 358 S N 1.528 117.212 115.700 -0.026 0.000 2.453 358 S HA 0.089 4.559 4.470 -0.000 0.000 0.231 358 S C 1.604 176.213 174.600 0.014 0.000 1.005 358 S CA 0.481 58.677 58.200 -0.008 0.000 0.949 358 S CB -0.564 62.630 63.200 -0.010 0.000 0.774 358 S HN 0.477 nan 8.310 nan 0.000 0.510 359 L N 0.436 121.677 121.223 0.031 0.000 2.456 359 L HA 0.107 4.447 4.340 -0.000 0.000 0.224 359 L C 0.967 177.859 176.870 0.037 0.000 1.148 359 L CA 0.519 55.398 54.840 0.066 0.000 0.825 359 L CB -0.466 41.682 42.059 0.149 0.000 0.937 359 L HN 0.201 nan 8.230 nan 0.000 0.450 360 K N 0.392 120.808 120.400 0.027 0.000 2.401 360 K HA 0.188 4.508 4.320 -0.000 0.000 0.278 360 K C 1.185 177.782 176.600 -0.006 0.000 1.018 360 K CA 0.667 56.963 56.287 0.015 0.000 0.981 360 K CB 0.546 33.060 32.500 0.023 0.000 0.933 360 K HN 0.194 nan 8.250 nan 0.000 0.477 361 G N 1.165 109.952 108.800 -0.021 0.000 2.212 361 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.266 361 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.266 361 G C 0.215 175.088 174.900 -0.045 0.000 0.978 361 G CA 0.110 45.191 45.100 -0.030 0.000 0.632 361 G HN 0.441 nan 8.290 nan 0.000 0.537 362 V N 2.088 121.970 119.914 -0.054 0.000 2.572 362 V HA 0.403 4.523 4.120 -0.000 0.000 0.291 362 V C 0.667 176.688 176.094 -0.122 0.000 1.039 362 V CA -0.172 62.086 62.300 -0.071 0.000 1.055 362 V CB 1.436 33.227 31.823 -0.054 0.000 0.969 362 V HN 0.229 nan 8.190 nan 0.000 0.482 363 K N 3.180 123.514 120.400 -0.111 0.000 2.087 363 K HA 0.541 4.861 4.320 -0.000 0.000 0.255 363 K C 1.050 177.543 176.600 -0.178 0.000 0.988 363 K CA -0.202 56.007 56.287 -0.130 0.000 0.915 363 K CB 1.314 33.768 32.500 -0.076 0.000 1.043 363 K HN 0.645 nan 8.250 nan 0.000 0.457 364 A N 0.818 123.524 122.820 -0.189 0.000 2.178 364 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 364 A C 1.627 179.205 177.584 -0.011 0.000 1.157 364 A CA 1.960 53.895 52.037 -0.170 0.000 0.689 364 A CB -0.905 18.043 19.000 -0.086 0.000 0.787 364 A HN 0.800 nan 8.150 nan 0.000 0.465 365 T N -3.077 111.463 114.554 -0.024 0.000 2.977 365 T HA -0.084 4.266 4.350 -0.000 0.000 0.271 365 T C 1.561 176.276 174.700 0.026 0.000 1.105 365 T CA 1.095 63.198 62.100 0.005 0.000 1.116 365 T CB -0.550 68.314 68.868 -0.006 0.000 0.878 365 T HN 0.079 nan 8.240 nan 0.000 0.509 366 V N 0.908 120.837 119.914 0.025 0.000 2.490 366 V HA 0.283 4.403 4.120 -0.000 0.000 0.250 366 V C 1.384 177.551 176.094 0.122 0.000 1.061 366 V CA 1.410 63.738 62.300 0.045 0.000 1.064 366 V CB -0.481 31.349 31.823 0.012 0.000 0.670 366 V HN 0.822 nan 8.190 nan 0.000 0.461 367 A N -1.324 121.596 122.820 0.167 0.000 2.969 367 A HA 0.574 4.893 4.320 -0.000 0.000 0.303 367 A C -1.830 175.690 177.584 -0.106 0.000 1.198 367 A CA -0.519 51.536 52.037 0.029 0.000 0.819 367 A CB 0.593 19.605 19.000 0.020 0.000 1.385 367 A HN 0.256 nan 8.150 nan 0.000 0.479 368 P HA -0.215 nan 4.420 nan 0.000 0.216 368 P C 1.564 178.756 177.300 -0.181 0.000 1.154 368 P CA 1.167 64.213 63.100 -0.091 0.000 0.865 368 P CB 0.232 31.899 31.700 -0.055 0.000 0.789 369 I N -1.469 118.914 120.570 -0.312 0.000 2.286 369 I HA -0.199 3.971 4.170 -0.000 0.000 0.248 369 I C 1.894 177.741 176.117 -0.449 0.000 1.115 369 I CA 1.582 62.696 61.300 -0.311 0.000 1.392 369 I CB -0.636 37.162 38.000 -0.336 0.000 1.065 369 I HN -0.157 nan 8.210 nan 0.000 0.418 370 L N -1.495 119.325 121.223 -0.671 0.000 2.102 370 L HA -0.120 4.220 4.340 -0.000 0.000 0.202 370 L C 2.026 178.296 176.870 -1.001 0.000 1.076 370 L CA 1.070 55.197 54.840 -1.188 0.000 0.761 370 L CB -0.762 40.202 42.059 -1.826 0.000 0.921 370 L HN 0.181 nan 8.230 nan 0.000 0.444 371 Y N -0.849 119.272 120.300 -0.298 0.000 2.509 371 Y HA 0.062 4.612 4.550 -0.000 0.000 0.270 371 Y C 2.368 178.230 175.900 -0.064 0.000 1.103 371 Y CA 0.201 58.233 58.100 -0.113 0.000 1.278 371 Y CB 0.112 38.529 38.460 -0.071 0.000 1.087 371 Y HN 0.135 nan 8.280 nan 0.000 0.542 372 Q N -0.806 119.018 119.800 0.041 0.000 2.511 372 Q HA 0.050 4.390 4.340 -0.000 0.000 0.236 372 Q C 0.859 176.874 176.000 0.025 0.000 0.893 372 Q CA 0.341 56.169 55.803 0.041 0.000 0.947 372 Q CB 0.552 29.312 28.738 0.037 0.000 1.110 372 Q HN 0.146 nan 8.270 nan 0.000 0.591 373 E N -0.010 120.186 120.200 -0.007 0.000 2.368 373 E HA 0.140 4.490 4.350 -0.000 0.000 0.188 373 E C 0.617 177.180 176.600 -0.062 0.000 1.061 373 E CA 0.460 56.884 56.400 0.039 0.000 0.933 373 E CB 0.801 30.586 29.700 0.141 0.000 1.091 373 E HN 0.522 nan 8.360 nan 0.000 0.458 374 G N 0.975 109.731 108.800 -0.074 0.000 2.195 374 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.246 374 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.246 374 G C 1.283 176.113 174.900 -0.118 0.000 0.984 374 G CA 0.490 45.540 45.100 -0.084 0.000 0.633 374 G HN 0.461 nan 8.290 nan 0.000 0.525 375 A N -0.226 122.464 122.820 -0.216 0.000 2.019 375 A HA 0.344 4.664 4.320 -0.000 0.000 0.219 375 A C 1.597 179.248 177.584 0.112 0.000 1.164 375 A CA 1.935 53.879 52.037 -0.155 0.000 0.644 375 A CB -0.382 18.442 19.000 -0.292 0.000 0.805 375 A HN 0.652 nan 8.150 nan 0.000 0.449 376 F N -0.311 119.554 119.950 -0.143 0.000 2.645 376 F HA 0.356 4.883 4.527 -0.000 0.000 0.300 376 F C 1.778 177.556 175.800 -0.037 0.000 1.115 376 F CA -0.570 57.374 58.000 -0.094 0.000 1.355 376 F CB -0.824 38.127 39.000 -0.082 0.000 1.026 376 F HN 0.333 nan 8.300 nan 0.000 0.536 377 G N 0.912 109.797 108.800 0.142 0.000 2.179 377 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.257 377 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.257 377 G C 0.090 175.052 174.900 0.103 0.000 1.010 377 G CA 0.577 45.736 45.100 0.098 0.000 0.736 377 G HN 0.619 nan 8.290 nan 0.000 0.513 378 V N -4.623 115.358 119.914 0.112 0.000 3.181 378 V HA 0.938 5.058 4.120 -0.000 0.000 0.307 378 V C -0.348 175.798 176.094 0.088 0.000 1.310 378 V CA -0.931 61.430 62.300 0.102 0.000 1.067 378 V CB 2.042 33.934 31.823 0.115 0.000 1.081 378 V HN 0.788 nan 8.190 nan 0.000 0.453 379 R N 1.164 121.710 120.500 0.076 0.000 2.521 379 R HA 0.672 5.012 4.340 -0.000 0.000 0.295 379 R C -2.104 174.231 176.300 0.058 0.000 1.183 379 R CA -0.547 55.592 56.100 0.065 0.000 0.957 379 R CB 1.281 31.614 30.300 0.054 0.000 1.171 379 R HN 0.743 nan 8.270 nan 0.000 0.494 380 L N 3.147 124.409 121.223 0.066 0.000 2.379 380 L HA 0.456 4.796 4.340 -0.000 0.000 0.269 380 L C 0.261 177.146 176.870 0.025 0.000 1.084 380 L CA -0.220 54.642 54.840 0.037 0.000 0.802 380 L CB 1.368 43.446 42.059 0.031 0.000 1.175 380 L HN 0.532 nan 8.230 nan 0.000 0.448 381 K N 2.999 123.402 120.400 0.006 0.000 2.126 381 K HA 0.211 4.531 4.320 -0.000 0.000 0.257 381 K C -1.573 175.023 176.600 -0.008 0.000 1.007 381 K CA -1.256 55.032 56.287 0.002 0.000 0.928 381 K CB 0.467 32.965 32.500 -0.003 0.000 1.013 381 K HN 0.307 nan 8.250 nan 0.000 0.473 382 P HA -0.197 nan 4.420 nan 0.000 0.217 382 P C 0.147 177.430 177.300 -0.028 0.000 1.151 382 P CA 1.424 64.517 63.100 -0.011 0.000 0.849 382 P CB 0.208 31.905 31.700 -0.005 0.000 0.787 383 D N -1.622 118.762 120.400 -0.027 0.000 2.319 383 D HA -0.013 4.627 4.640 -0.000 0.000 0.230 383 D C -0.231 176.039 176.300 -0.049 0.000 1.094 383 D CA 0.077 54.056 54.000 -0.035 0.000 0.856 383 D CB -0.458 40.328 40.800 -0.024 0.000 0.915 383 D HN 0.027 nan 8.370 nan 0.000 0.517 384 D N 0.505 120.869 120.400 -0.060 0.000 2.264 384 D HA 0.108 4.748 4.640 -0.000 0.000 0.249 384 D C -0.230 175.994 176.300 -0.127 0.000 1.070 384 D CA -0.168 53.785 54.000 -0.078 0.000 0.912 384 D CB 0.948 41.706 40.800 -0.070 0.000 1.193 384 D HN 0.068 nan 8.370 nan 0.000 0.427 385 D N 0.940 121.262 120.400 -0.131 0.000 2.350 385 D HA 0.077 4.717 4.640 -0.000 0.000 0.249 385 D C 1.599 177.735 176.300 -0.272 0.000 1.119 385 D CA -0.242 53.656 54.000 -0.169 0.000 0.886 385 D CB 1.156 41.884 40.800 -0.120 0.000 1.195 385 D HN 0.384 nan 8.370 nan 0.000 0.437 386 I N -0.301 120.031 120.570 -0.398 0.000 2.761 386 I HA -0.097 4.073 4.170 -0.000 0.000 0.261 386 I C 1.864 177.528 176.117 -0.754 0.000 1.198 386 I CA 0.311 61.218 61.300 -0.655 0.000 1.482 386 I CB -0.070 37.353 38.000 -0.962 0.000 1.100 386 I HN 0.173 nan 8.210 nan 0.000 0.445 387 I N 2.435 122.752 120.570 -0.421 0.000 2.264 387 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 387 I C 2.446 178.409 176.117 -0.256 0.000 1.111 387 I CA 1.636 62.784 61.300 -0.255 0.000 1.382 387 I CB -0.637 37.369 38.000 0.010 0.000 1.060 387 I HN 0.210 nan 8.210 nan 0.000 0.418 388 E N -0.045 120.022 120.200 -0.222 0.000 2.160 388 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 388 E C 2.140 178.634 176.600 -0.176 0.000 0.991 388 E CA 1.105 57.418 56.400 -0.145 0.000 0.810 388 E CB -0.759 28.877 29.700 -0.106 0.000 0.742 388 E HN 0.470 nan 8.360 nan 0.000 0.466 389 L N 0.050 121.075 121.223 -0.330 0.000 2.201 389 L HA -0.103 4.237 4.340 -0.000 0.000 0.212 389 L C 1.600 178.382 176.870 -0.146 0.000 1.105 389 L CA 1.360 56.042 54.840 -0.263 0.000 0.775 389 L CB -0.256 41.627 42.059 -0.293 0.000 0.913 389 L HN -0.077 nan 8.230 nan 0.000 0.440 390 F N -0.627 119.306 119.950 -0.027 0.000 2.754 390 F HA 0.216 4.743 4.527 -0.000 0.000 0.297 390 F C 1.439 177.181 175.800 -0.096 0.000 1.122 390 F CA -0.595 57.376 58.000 -0.049 0.000 1.400 390 F CB -0.956 38.102 39.000 0.097 0.000 1.117 390 F HN -0.062 nan 8.300 nan 0.000 0.587 391 K N 0.674 121.067 120.400 -0.012 0.000 2.156 391 K HA 0.022 4.342 4.320 -0.000 0.000 0.242 391 K C 0.447 176.945 176.600 -0.169 0.000 1.033 391 K CA 0.058 56.168 56.287 -0.295 0.000 0.878 391 K CB -0.123 32.221 32.500 -0.262 0.000 1.057 391 K HN 0.113 nan 8.250 nan 0.000 0.505 392 N N -0.036 118.547 118.700 -0.195 0.000 2.716 392 N HA -0.262 4.477 4.740 -0.000 0.000 0.250 392 N C 0.352 175.978 175.510 0.193 0.000 1.033 392 N CA 0.145 53.213 53.050 0.029 0.000 0.727 392 N CB -1.149 37.418 38.487 0.134 0.000 0.950 392 N HN 0.940 nan 8.380 nan 0.000 0.541 393 G N -0.733 108.086 108.800 0.032 0.000 2.176 393 G HA2 -0.414 3.546 3.960 -0.000 0.000 0.253 393 G HA3 -0.414 3.546 3.960 -0.000 0.000 0.253 393 G C 0.750 175.424 174.900 -0.378 0.000 0.979 393 G CA 0.689 45.817 45.100 0.045 0.000 0.641 393 G HN 0.564 nan 8.290 nan 0.000 0.530 394 R N 0.414 120.470 120.500 -0.740 0.000 2.073 394 R HA 0.180 4.520 4.340 -0.000 0.000 0.229 394 R C 1.122 177.052 176.300 -0.617 0.000 1.120 394 R CA 1.563 56.876 56.100 -1.313 0.000 0.967 394 R CB -0.139 29.423 30.300 -1.230 0.000 0.862 394 R HN 0.400 nan 8.270 nan 0.000 0.436 395 S N -0.012 115.490 115.700 -0.329 0.000 2.617 395 S HA 0.242 4.712 4.470 -0.000 0.000 0.283 395 S C -0.457 174.024 174.600 -0.199 0.000 1.189 395 S CA -0.776 57.262 58.200 -0.271 0.000 1.036 395 S CB 1.852 64.900 63.200 -0.253 0.000 1.014 395 S HN 0.428 nan 8.310 nan 0.000 0.522 396 S N 0.983 116.551 115.700 -0.220 0.000 2.687 396 S HA 0.795 5.264 4.470 -0.000 0.000 0.283 396 S C -0.673 173.786 174.600 -0.236 0.000 1.170 396 S CA -0.660 57.441 58.200 -0.166 0.000 1.008 396 S CB 0.970 64.096 63.200 -0.124 0.000 1.026 396 S HN 0.412 nan 8.310 nan 0.000 0.541 397 V N 1.507 121.280 119.914 -0.236 0.000 2.686 397 V HA 0.522 4.642 4.120 -0.000 0.000 0.306 397 V C -0.537 175.507 176.094 -0.084 0.000 1.065 397 V CA -0.698 61.430 62.300 -0.287 0.000 0.894 397 V CB 2.034 33.485 31.823 -0.621 0.000 1.004 397 V HN 1.004 nan 8.190 nan 0.000 0.424 398 S N 4.759 120.423 115.700 -0.061 0.000 2.442 398 S HA 0.631 5.101 4.470 -0.000 0.000 0.297 398 S C -0.575 174.172 174.600 0.245 0.000 1.131 398 S CA -0.389 57.838 58.200 0.044 0.000 1.092 398 S CB 1.389 64.427 63.200 -0.270 0.000 0.998 398 S HN 0.601 nan 8.310 nan 0.000 0.478 399 L N 4.338 125.791 121.223 0.383 0.000 2.272 399 L HA 0.656 4.996 4.340 -0.000 0.000 0.284 399 L C 0.462 177.609 176.870 0.461 0.000 1.045 399 L CA 0.069 55.172 54.840 0.439 0.000 0.842 399 L CB 0.077 42.406 42.059 0.450 0.000 1.224 399 L HN 0.709 nan 8.230 nan 0.000 0.430 400 G N 3.572 112.648 108.800 0.460 0.000 2.547 400 G HA2 0.498 4.458 3.960 -0.000 0.000 0.291 400 G HA3 0.498 4.458 3.960 -0.000 0.000 0.291 400 G C -1.440 173.753 174.900 0.488 0.000 1.211 400 G CA -0.119 45.260 45.100 0.465 0.000 0.950 400 G HN 0.744 nan 8.290 nan 0.000 0.504 401 Y N -2.057 118.390 120.300 0.244 0.000 2.656 401 Y HA 0.783 5.333 4.550 -0.000 0.000 0.334 401 Y C -1.237 174.765 175.900 0.170 0.000 1.179 401 Y CA -1.758 56.474 58.100 0.220 0.000 1.050 401 Y CB 1.348 39.926 38.460 0.198 0.000 1.308 401 Y HN 0.727 nan 8.280 nan 0.000 0.456 402 I N 0.402 121.087 120.570 0.191 0.000 2.984 402 I HA 0.602 4.772 4.170 -0.000 0.000 0.303 402 I C 0.214 176.406 176.117 0.126 0.000 1.381 402 I CA -0.350 60.985 61.300 0.059 0.000 0.988 402 I CB 2.315 40.419 38.000 0.174 0.000 1.307 402 I HN 1.409 nan 8.210 nan 0.000 0.460 403 G N 5.616 114.451 108.800 0.058 0.000 2.298 403 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.287 403 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.287 403 G C 0.508 175.410 174.900 0.002 0.000 1.075 403 G CA 0.544 45.646 45.100 0.003 0.000 0.960 403 G HN 0.646 nan 8.290 nan 0.000 0.502 404 I N -0.890 119.737 120.570 0.095 0.000 2.286 404 I HA -0.226 3.944 4.170 -0.000 0.000 0.248 404 I C 2.460 178.606 176.117 0.048 0.000 1.115 404 I CA 1.932 63.288 61.300 0.093 0.000 1.392 404 I CB -0.219 37.861 38.000 0.134 0.000 1.065 404 I HN 0.570 nan 8.210 nan 0.000 0.418 405 H N 1.410 120.471 119.070 -0.016 0.000 2.319 405 H HA -0.228 4.328 4.556 -0.000 0.000 0.299 405 H C 1.948 177.232 175.328 -0.072 0.000 1.092 405 H CA 2.151 58.186 56.048 -0.022 0.000 1.302 405 H CB 0.022 29.786 29.762 0.005 0.000 1.373 405 H HN 0.212 nan 8.280 nan 0.000 0.497 406 E N -0.286 119.769 120.200 -0.242 0.000 2.274 406 E HA -0.026 4.323 4.350 -0.000 0.000 0.194 406 E C 2.119 178.522 176.600 -0.329 0.000 0.996 406 E CA 0.753 56.938 56.400 -0.358 0.000 0.840 406 E CB -0.184 29.300 29.700 -0.360 0.000 0.772 406 E HN 0.497 nan 8.360 nan 0.000 0.491 407 L N 0.484 121.557 121.223 -0.250 0.000 2.131 407 L HA -0.020 4.320 4.340 -0.000 0.000 0.206 407 L C 1.411 178.123 176.870 -0.263 0.000 1.087 407 L CA 1.419 56.127 54.840 -0.218 0.000 0.767 407 L CB -0.237 41.763 42.059 -0.099 0.000 0.917 407 L HN -0.016 nan 8.230 nan 0.000 0.441 408 N N 0.308 118.878 118.700 -0.216 0.000 2.120 408 N HA -0.167 4.573 4.740 -0.000 0.000 0.188 408 N C 1.936 177.294 175.510 -0.252 0.000 1.024 408 N CA 2.056 54.983 53.050 -0.204 0.000 0.852 408 N CB -0.326 38.090 38.487 -0.118 0.000 1.003 408 N HN 0.429 nan 8.380 nan 0.000 0.424 409 I N 0.745 121.140 120.570 -0.291 0.000 2.226 409 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 409 I C 1.807 177.783 176.117 -0.235 0.000 1.100 409 I CA 0.852 61.995 61.300 -0.262 0.000 1.374 409 I CB -0.154 37.656 38.000 -0.317 0.000 1.057 409 I HN 0.066 nan 8.210 nan 0.000 0.413 410 L N 0.157 121.215 121.223 -0.275 0.000 2.291 410 L HA -0.089 4.251 4.340 -0.000 0.000 0.214 410 L C 2.121 178.724 176.870 -0.446 0.000 1.120 410 L CA 0.631 55.329 54.840 -0.236 0.000 0.799 410 L CB -0.369 41.546 42.059 -0.241 0.000 0.925 410 L HN 0.246 nan 8.230 nan 0.000 0.446 411 V N -4.357 115.156 119.914 -0.668 0.000 3.621 411 V HA 0.512 4.632 4.120 -0.000 0.000 0.285 411 V C 1.366 177.111 176.094 -0.583 0.000 1.346 411 V CA 0.456 62.078 62.300 -1.129 0.000 1.104 411 V CB 0.020 31.124 31.823 -1.199 0.000 0.913 411 V HN 0.437 nan 8.190 nan 0.000 0.432 412 G N 0.956 109.551 108.800 -0.341 0.000 2.217 412 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.246 412 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.246 412 G C 0.366 175.179 174.900 -0.145 0.000 0.990 412 G CA 0.481 45.466 45.100 -0.192 0.000 0.627 412 G HN 1.079 nan 8.290 nan 0.000 0.522 413 R N -0.026 120.373 120.500 -0.168 0.000 2.762 413 R HA 0.518 4.857 4.340 -0.000 0.000 0.271 413 R C -2.132 174.111 176.300 -0.095 0.000 1.038 413 R CA -0.264 55.773 56.100 -0.104 0.000 0.906 413 R CB 0.179 30.433 30.300 -0.076 0.000 1.259 413 R HN 0.034 nan 8.270 nan 0.000 0.457 414 D N 1.803 122.178 120.400 -0.041 0.000 2.359 414 D HA 0.188 4.827 4.640 -0.000 0.000 0.250 414 D C 0.929 177.228 176.300 -0.002 0.000 1.264 414 D CA -0.456 53.542 54.000 -0.003 0.000 0.911 414 D CB 0.244 41.071 40.800 0.044 0.000 1.056 414 D HN 0.502 nan 8.370 nan 0.000 0.499 415 I N 0.861 121.423 120.570 -0.014 0.000 3.974 415 I HA 0.388 4.557 4.170 -0.000 0.000 0.334 415 I C 1.637 177.788 176.117 0.057 0.000 1.437 415 I CA -0.730 60.567 61.300 -0.006 0.000 1.113 415 I CB 0.459 38.425 38.000 -0.056 0.000 1.063 415 I HN 0.297 nan 8.210 nan 0.000 0.400 416 G N 2.548 111.427 108.800 0.133 0.000 2.672 416 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.218 416 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.218 416 G C 1.711 176.789 174.900 0.296 0.000 1.238 416 G CA 1.077 46.344 45.100 0.279 0.000 0.791 416 G HN 0.414 nan 8.290 nan 0.000 0.606 417 R N 0.538 121.142 120.500 0.173 0.000 2.127 417 R HA -0.060 4.280 4.340 -0.000 0.000 0.238 417 R C 2.565 178.856 176.300 -0.015 0.000 1.134 417 R CA 1.445 57.514 56.100 -0.053 0.000 0.975 417 R CB -0.269 29.915 30.300 -0.194 0.000 0.865 417 R HN 0.567 nan 8.270 nan 0.000 0.447 418 E N 0.422 120.626 120.200 0.005 0.000 2.051 418 E HA -0.158 4.192 4.350 -0.000 0.000 0.189 418 E C 1.975 178.564 176.600 -0.017 0.000 0.979 418 E CA 0.695 57.088 56.400 -0.012 0.000 0.803 418 E CB -0.157 29.534 29.700 -0.016 0.000 0.761 418 E HN 0.140 nan 8.360 nan 0.000 0.451 419 I N 1.379 121.940 120.570 -0.014 0.000 2.179 419 I HA -0.244 3.926 4.170 -0.000 0.000 0.242 419 I C 2.010 178.136 176.117 0.015 0.000 1.088 419 I CA 1.068 62.334 61.300 -0.058 0.000 1.357 419 I CB -0.191 37.802 38.000 -0.012 0.000 1.051 419 I HN -0.003 nan 8.210 nan 0.000 0.409 420 L N 0.021 121.251 121.223 0.012 0.000 2.042 420 L HA -0.208 4.131 4.340 -0.000 0.000 0.210 420 L C 2.557 179.440 176.870 0.023 0.000 1.076 420 L CA 2.130 56.961 54.840 -0.016 0.000 0.749 420 L CB -1.775 40.277 42.059 -0.012 0.000 0.893 420 L HN 0.219 nan 8.230 nan 0.000 0.432 421 T N -0.798 113.765 114.554 0.015 0.000 2.759 421 T HA -0.203 4.147 4.350 -0.000 0.000 0.269 421 T C 1.903 176.629 174.700 0.044 0.000 1.042 421 T CA 1.308 63.417 62.100 0.015 0.000 1.140 421 T CB -0.075 68.788 68.868 -0.007 0.000 0.864 421 T HN 0.321 nan 8.240 nan 0.000 0.455 422 K N 0.395 120.840 120.400 0.076 0.000 2.228 422 K HA 0.168 4.488 4.320 -0.000 0.000 0.202 422 K C 2.326 179.101 176.600 0.293 0.000 1.051 422 K CA 0.734 57.119 56.287 0.164 0.000 0.960 422 K CB -0.102 32.497 32.500 0.165 0.000 0.743 422 K HN 0.358 nan 8.250 nan 0.000 0.458 423 M N 0.812 120.558 119.600 0.243 0.000 2.132 423 M HA -0.143 4.337 4.480 -0.000 0.000 0.263 423 M C 1.591 177.898 176.300 0.010 0.000 1.065 423 M CA 1.275 56.672 55.300 0.161 0.000 1.122 423 M CB -0.418 32.250 32.600 0.112 0.000 1.365 423 M HN 0.095 nan 8.290 nan 0.000 0.411 424 N N 0.936 119.648 118.700 0.020 0.000 2.149 424 N HA -0.100 4.640 4.740 -0.000 0.000 0.188 424 N C 1.661 177.139 175.510 -0.054 0.000 1.019 424 N CA 1.675 54.718 53.050 -0.011 0.000 0.857 424 N CB -0.310 38.191 38.487 0.024 0.000 0.997 424 N HN 0.347 nan 8.380 nan 0.000 0.426 425 A N 0.466 123.264 122.820 -0.037 0.000 1.930 425 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 425 A C 1.929 179.388 177.584 -0.210 0.000 1.175 425 A CA 1.036 53.017 52.037 -0.093 0.000 0.627 425 A CB -0.608 18.346 19.000 -0.077 0.000 0.815 425 A HN 0.365 nan 8.150 nan 0.000 0.443 426 H N -1.027 117.877 119.070 -0.277 0.000 2.326 426 H HA -0.076 4.480 4.556 -0.000 0.000 0.301 426 H C 2.009 176.750 175.328 -0.979 0.000 1.081 426 H CA 1.687 57.412 56.048 -0.538 0.000 1.334 426 H CB -0.161 29.241 29.762 -0.598 0.000 1.385 426 H HN 0.325 nan 8.280 nan 0.000 0.504 427 L N 1.493 122.274 121.223 -0.737 0.000 2.042 427 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 427 L C 2.569 179.335 176.870 -0.174 0.000 1.076 427 L CA 1.559 56.044 54.840 -0.592 0.000 0.749 427 L CB -0.778 41.154 42.059 -0.212 0.000 0.893 427 L HN 0.186 nan 8.230 nan 0.000 0.432 428 K N -0.770 119.567 120.400 -0.106 0.000 2.063 428 K HA -0.216 4.104 4.320 -0.000 0.000 0.208 428 K C 1.984 178.597 176.600 0.022 0.000 1.048 428 K CA 1.492 57.781 56.287 0.004 0.000 0.928 428 K CB -0.014 32.479 32.500 -0.011 0.000 0.713 428 K HN 0.454 nan 8.250 nan 0.000 0.442 429 Q N -0.801 118.963 119.800 -0.060 0.000 2.167 429 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 429 Q C 1.847 177.935 176.000 0.146 0.000 0.970 429 Q CA 1.193 57.002 55.803 0.009 0.000 0.855 429 Q CB -0.072 28.636 28.738 -0.049 0.000 0.911 429 Q HN 0.449 nan 8.270 nan 0.000 0.438 430 W N 0.869 122.102 121.300 -0.111 0.000 2.381 430 W HA -0.067 4.593 4.660 -0.000 0.000 0.301 430 W C 2.292 178.920 176.519 0.181 0.000 1.205 430 W CA 0.998 58.238 57.345 -0.175 0.000 1.285 430 W CB -1.196 27.910 29.460 -0.589 0.000 1.133 430 W HN 0.081 nan 8.180 nan 0.000 0.521 431 T N 0.419 115.287 114.554 0.523 0.000 2.788 431 T HA -0.198 4.152 4.350 -0.000 0.000 0.268 431 T C 1.425 176.320 174.700 0.325 0.000 1.044 431 T CA 1.880 64.290 62.100 0.517 0.000 1.139 431 T CB -0.215 68.880 68.868 0.380 0.000 0.867 431 T HN 0.246 nan 8.240 nan 0.000 0.454 432 E N 0.180 120.518 120.200 0.229 0.000 2.285 432 E HA 0.026 4.376 4.350 -0.000 0.000 0.194 432 E C 2.382 179.073 176.600 0.153 0.000 0.997 432 E CA 0.278 56.771 56.400 0.155 0.000 0.845 432 E CB 0.053 29.814 29.700 0.102 0.000 0.782 432 E HN 0.214 nan 8.360 nan 0.000 0.491 433 R N 0.821 121.433 120.500 0.187 0.000 2.173 433 R HA -0.035 4.305 4.340 -0.000 0.000 0.208 433 R C 1.770 178.209 176.300 0.231 0.000 1.035 433 R CA 1.702 57.902 56.100 0.167 0.000 1.004 433 R CB 0.223 30.593 30.300 0.117 0.000 0.917 433 R HN 0.223 nan 8.270 nan 0.000 0.462 434 T N -5.040 109.720 114.554 0.344 0.000 2.971 434 T HA 0.246 4.596 4.350 -0.000 0.000 0.252 434 T C 1.287 176.127 174.700 0.233 0.000 1.022 434 T CA 0.657 63.001 62.100 0.406 0.000 0.980 434 T CB 0.872 70.179 68.868 0.732 0.000 1.044 434 T HN 0.289 nan 8.240 nan 0.000 0.501 435 G N 1.106 110.021 108.800 0.192 0.000 2.225 435 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.254 435 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.254 435 G C -0.113 174.724 174.900 -0.105 0.000 0.988 435 G CA -0.104 44.995 45.100 -0.001 0.000 0.625 435 G HN 0.549 nan 8.290 nan 0.000 0.527 436 F N 1.419 121.490 119.950 0.202 0.000 2.399 436 F HA 0.626 5.153 4.527 -0.000 0.000 0.342 436 F C 1.022 176.849 175.800 0.045 0.000 1.106 436 F CA -0.084 57.933 58.000 0.028 0.000 1.196 436 F CB 1.490 40.377 39.000 -0.188 0.000 1.163 436 F HN 0.229 nan 8.300 nan 0.000 0.547 437 A N 4.575 127.466 122.820 0.119 0.000 2.922 437 A HA 0.385 4.705 4.320 -0.000 0.000 0.298 437 A C -0.695 176.947 177.584 0.097 0.000 1.588 437 A CA -0.409 51.711 52.037 0.139 0.000 1.288 437 A CB -1.437 17.618 19.000 0.092 0.000 1.130 437 A HN 0.541 nan 8.150 nan 0.000 0.557 438 F N 2.079 122.187 119.950 0.262 0.000 2.538 438 F HA 0.319 4.845 4.527 -0.000 0.000 0.371 438 F C 1.258 177.170 175.800 0.187 0.000 1.087 438 F CA 0.970 59.129 58.000 0.266 0.000 1.250 438 F CB 0.932 40.185 39.000 0.421 0.000 1.110 438 F HN 0.541 nan 8.300 nan 0.000 0.570 439 S N 3.459 119.353 115.700 0.322 0.000 2.632 439 S HA 0.640 5.110 4.470 -0.000 0.000 0.289 439 S C -1.054 173.725 174.600 0.298 0.000 1.115 439 S CA -1.158 57.199 58.200 0.262 0.000 0.889 439 S CB 1.634 64.960 63.200 0.210 0.000 1.116 439 S HN 0.550 nan 8.310 nan 0.000 0.486 440 L N 2.483 123.884 121.223 0.295 0.000 2.319 440 L HA 0.424 4.764 4.340 -0.000 0.000 0.280 440 L C -1.420 175.745 176.870 0.493 0.000 1.099 440 L CA -0.487 54.571 54.840 0.364 0.000 0.828 440 L CB 0.662 42.889 42.059 0.280 0.000 1.150 440 L HN 0.855 nan 8.230 nan 0.000 0.442 441 Y N 2.793 123.316 120.300 0.372 0.000 2.350 441 Y HA 0.254 4.804 4.550 -0.000 0.000 0.338 441 Y C 0.001 176.014 175.900 0.187 0.000 0.961 441 Y CA -0.887 57.368 58.100 0.260 0.000 1.100 441 Y CB 1.765 40.304 38.460 0.132 0.000 1.179 441 Y HN 0.444 nan 8.280 nan 0.000 0.454 442 S N 4.783 120.316 115.700 -0.278 0.000 3.919 442 S HA 0.086 4.556 4.470 -0.000 0.000 0.245 442 S C -0.202 173.856 174.600 -0.905 0.000 1.344 442 S CA -0.353 57.482 58.200 -0.608 0.000 0.896 442 S CB -0.886 62.157 63.200 -0.261 0.000 1.557 442 S HN 0.755 nan 8.310 nan 0.000 0.468 443 T N 4.862 118.919 114.554 -0.829 0.000 2.777 443 T HA -0.037 4.313 4.350 -0.000 0.000 0.273 443 T C -1.422 173.007 174.700 -0.452 0.000 1.016 443 T CA -0.446 61.302 62.100 -0.586 0.000 1.156 443 T CB 0.072 68.847 68.868 -0.155 0.000 1.019 443 T HN 0.279 nan 8.240 nan 0.000 0.503 444 P HA -0.014 nan 4.420 nan 0.000 0.216 444 P C 0.810 178.001 177.300 -0.182 0.000 1.150 444 P CA 1.212 64.162 63.100 -0.249 0.000 0.837 444 P CB -0.096 31.499 31.700 -0.176 0.000 0.786 445 A N -0.310 122.446 122.820 -0.107 0.000 2.364 445 A HA -0.277 4.043 4.320 -0.000 0.000 0.288 445 A C 1.479 178.991 177.584 -0.121 0.000 1.433 445 A CA 1.114 53.089 52.037 -0.104 0.000 0.757 445 A CB -2.173 16.743 19.000 -0.140 0.000 1.098 445 A HN 0.269 nan 8.150 nan 0.000 0.380 446 E N 0.548 120.724 120.200 -0.040 0.000 2.153 446 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 446 E C 1.645 178.243 176.600 -0.003 0.000 0.988 446 E CA 1.840 58.239 56.400 -0.001 0.000 0.811 446 E CB -0.045 29.757 29.700 0.171 0.000 0.746 446 E HN 0.785 nan 8.360 nan 0.000 0.466 447 N N -0.990 117.704 118.700 -0.010 0.000 2.360 447 N HA -0.058 4.682 4.740 -0.000 0.000 0.211 447 N C 1.558 177.008 175.510 -0.099 0.000 1.147 447 N CA 0.157 53.234 53.050 0.045 0.000 0.866 447 N CB -0.010 38.505 38.487 0.046 0.000 1.206 447 N HN 0.224 nan 8.380 nan 0.000 0.478 448 L N 2.637 123.703 121.223 -0.262 0.000 2.187 448 L HA -0.093 4.247 4.340 -0.000 0.000 0.213 448 L C 2.698 179.342 176.870 -0.377 0.000 1.100 448 L CA 1.547 56.074 54.840 -0.522 0.000 0.765 448 L CB -1.080 40.570 42.059 -0.682 0.000 0.904 448 L HN 0.491 nan 8.230 nan 0.000 0.437 449 C N -2.183 116.957 119.300 -0.266 0.000 2.419 449 C HA -0.150 4.310 4.460 -0.000 0.000 0.281 449 C C 2.378 177.218 174.990 -0.249 0.000 1.336 449 C CA 0.403 59.289 59.018 -0.219 0.000 1.770 449 C CB -1.777 25.776 27.740 -0.311 0.000 1.929 449 C HN 0.564 nan 8.230 nan 0.000 0.509 450 Y N 1.009 121.277 120.300 -0.052 0.000 2.301 450 Y HA 0.157 4.706 4.550 -0.000 0.000 0.295 450 Y C 2.927 178.766 175.900 -0.101 0.000 1.119 450 Y CA 1.196 59.270 58.100 -0.043 0.000 1.162 450 Y CB -0.811 37.632 38.460 -0.028 0.000 1.046 450 Y HN 0.198 nan 8.280 nan 0.000 0.538 451 R N -0.245 120.257 120.500 0.003 0.000 2.083 451 R HA -0.185 4.155 4.340 -0.000 0.000 0.237 451 R C 1.831 178.132 176.300 0.001 0.000 1.137 451 R CA 1.803 57.864 56.100 -0.064 0.000 0.951 451 R CB -0.527 29.645 30.300 -0.213 0.000 0.851 451 R HN 0.207 nan 8.270 nan 0.000 0.434 452 F N 0.527 120.398 119.950 -0.132 0.000 2.134 452 F HA -0.201 4.326 4.527 -0.000 0.000 0.299 452 F C 2.714 178.372 175.800 -0.237 0.000 1.097 452 F CA 0.734 58.674 58.000 -0.100 0.000 1.264 452 F CB -1.302 37.714 39.000 0.026 0.000 1.001 452 F HN 0.198 nan 8.300 nan 0.000 0.479 453 C N 0.527 119.614 119.300 -0.356 0.000 2.413 453 C HA -0.201 4.259 4.460 -0.000 0.000 0.276 453 C C 2.936 177.847 174.990 -0.132 0.000 1.248 453 C CA 1.497 60.188 59.018 -0.544 0.000 1.742 453 C CB -1.175 26.224 27.740 -0.570 0.000 2.017 453 C HN 0.475 nan 8.230 nan 0.000 0.481 454 K N -0.078 120.298 120.400 -0.040 0.000 2.026 454 K HA -0.112 4.208 4.320 -0.000 0.000 0.208 454 K C 2.029 178.647 176.600 0.030 0.000 1.048 454 K CA 1.582 57.874 56.287 0.008 0.000 0.929 454 K CB -0.315 32.197 32.500 0.019 0.000 0.713 454 K HN 0.555 nan 8.250 nan 0.000 0.439 455 L N 0.962 122.218 121.223 0.056 0.000 2.131 455 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 455 L C 1.775 178.697 176.870 0.087 0.000 1.092 455 L CA 1.038 55.921 54.840 0.071 0.000 0.759 455 L CB -0.302 41.821 42.059 0.107 0.000 0.903 455 L HN 0.203 nan 8.230 nan 0.000 0.435 456 D N -1.126 119.347 120.400 0.121 0.000 2.234 456 D HA -0.104 4.536 4.640 -0.000 0.000 0.205 456 D C 2.144 178.560 176.300 0.193 0.000 0.962 456 D CA 1.061 55.185 54.000 0.207 0.000 0.855 456 D CB 0.028 40.993 40.800 0.275 0.000 0.951 456 D HN 0.183 nan 8.370 nan 0.000 0.500 457 T N 0.666 115.282 114.554 0.103 0.000 2.985 457 T HA -0.051 4.299 4.350 -0.000 0.000 0.266 457 T C 1.490 176.213 174.700 0.038 0.000 1.076 457 T CA 0.643 62.788 62.100 0.075 0.000 1.135 457 T CB 0.020 68.910 68.868 0.036 0.000 0.890 457 T HN 0.253 nan 8.240 nan 0.000 0.480 458 E N 0.565 120.777 120.200 0.020 0.000 2.478 458 E HA -0.021 4.329 4.350 -0.000 0.000 0.198 458 E C 2.028 178.595 176.600 -0.054 0.000 1.046 458 E CA 0.552 56.946 56.400 -0.010 0.000 0.870 458 E CB 0.139 29.835 29.700 -0.007 0.000 0.818 458 E HN 0.363 nan 8.360 nan 0.000 0.527 459 K N -0.618 119.727 120.400 -0.091 0.000 2.436 459 K HA 0.038 4.358 4.320 -0.000 0.000 0.198 459 K C 0.573 176.909 176.600 -0.440 0.000 1.174 459 K CA 0.202 56.319 56.287 -0.284 0.000 0.951 459 K CB 0.594 32.863 32.500 -0.385 0.000 1.040 459 K HN 0.034 nan 8.250 nan 0.000 0.536 460 Y N 0.069 120.372 120.300 0.005 0.000 2.453 460 Y HA 0.287 4.836 4.550 -0.000 0.000 0.247 460 Y C 0.936 176.828 175.900 -0.013 0.000 1.124 460 Y CA 0.247 58.341 58.100 -0.009 0.000 1.243 460 Y CB 1.290 39.734 38.460 -0.026 0.000 1.213 460 Y HN 0.293 nan 8.280 nan 0.000 0.523 461 G N 0.467 109.324 108.800 0.095 0.000 2.562 461 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.250 461 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.250 461 G C -0.138 174.798 174.900 0.060 0.000 1.269 461 G CA -0.124 45.011 45.100 0.059 0.000 0.919 461 G HN 0.220 nan 8.290 nan 0.000 0.574 462 S N -0.516 115.205 115.700 0.034 0.000 2.416 462 S HA 0.519 4.989 4.470 -0.000 0.000 0.287 462 S C 0.143 174.746 174.600 0.005 0.000 1.139 462 S CA -0.174 58.035 58.200 0.015 0.000 1.058 462 S CB 0.446 63.649 63.200 0.005 0.000 0.967 462 S HN 1.173 nan 8.310 nan 0.000 0.495 463 V N 6.583 126.491 119.914 -0.010 0.000 2.384 463 V HA 0.332 4.452 4.120 -0.000 0.000 0.287 463 V C 0.137 176.198 176.094 -0.055 0.000 1.020 463 V CA -1.099 61.174 62.300 -0.046 0.000 0.850 463 V CB 1.402 33.169 31.823 -0.093 0.000 0.987 463 V HN 0.820 nan 8.190 nan 0.000 0.436 464 K N 4.945 125.315 120.400 -0.050 0.000 2.473 464 K HA -0.046 4.274 4.320 -0.000 0.000 0.277 464 K C 0.550 177.110 176.600 -0.067 0.000 1.052 464 K CA 1.035 57.293 56.287 -0.048 0.000 1.114 464 K CB -0.381 32.099 32.500 -0.034 0.000 0.869 464 K HN 0.755 nan 8.250 nan 0.000 0.481 465 D N 1.338 121.697 120.400 -0.068 0.000 2.946 465 D HA -0.184 4.456 4.640 -0.000 0.000 0.202 465 D C 0.362 176.601 176.300 -0.103 0.000 1.068 465 D CA 1.180 55.135 54.000 -0.075 0.000 1.011 465 D CB -1.428 39.329 40.800 -0.071 0.000 1.105 465 D HN 0.298 nan 8.370 nan 0.000 0.425 466 V N 0.028 119.888 119.914 -0.090 0.000 4.233 466 V HA 0.074 4.194 4.120 -0.000 0.000 0.183 466 V C 2.252 178.379 176.094 0.054 0.000 1.097 466 V CA 1.142 63.408 62.300 -0.055 0.000 1.385 466 V CB -0.081 31.679 31.823 -0.105 0.000 1.805 466 V HN 0.275 nan 8.190 nan 0.000 0.496 467 T N -0.830 113.758 114.554 0.057 0.000 3.129 467 T HA -0.066 4.284 4.350 -0.000 0.000 0.251 467 T C 1.188 175.861 174.700 -0.044 0.000 1.117 467 T CA 0.898 63.021 62.100 0.038 0.000 1.034 467 T CB -0.394 68.510 68.868 0.061 0.000 0.968 467 T HN 0.621 nan 8.240 nan 0.000 0.526 468 D N 2.801 123.158 120.400 -0.071 0.000 2.194 468 D HA -0.150 4.490 4.640 -0.000 0.000 0.204 468 D C 1.811 178.040 176.300 -0.118 0.000 0.964 468 D CA 0.873 54.828 54.000 -0.075 0.000 0.846 468 D CB -0.325 40.439 40.800 -0.060 0.000 0.962 468 D HN 0.661 nan 8.370 nan 0.000 0.490 469 K N -0.713 119.539 120.400 -0.247 0.000 2.366 469 K HA 0.203 4.523 4.320 -0.000 0.000 0.198 469 K C 1.554 177.992 176.600 -0.270 0.000 1.044 469 K CA 0.890 56.946 56.287 -0.385 0.000 0.973 469 K CB -0.038 31.941 32.500 -0.868 0.000 0.767 469 K HN 0.230 nan 8.250 nan 0.000 0.475 470 G N 0.888 109.583 108.800 -0.174 0.000 2.213 470 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.226 470 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.226 470 G C -0.339 174.666 174.900 0.175 0.000 0.992 470 G CA 0.084 45.223 45.100 0.065 0.000 0.632 470 G HN 0.546 nan 8.290 nan 0.000 0.511 471 W N -0.480 120.817 121.300 -0.005 0.000 3.075 471 W HA 0.836 5.495 4.660 -0.000 0.000 0.334 471 W C -1.157 175.348 176.519 -0.022 0.000 1.243 471 W CA -2.655 54.599 57.345 -0.152 0.000 1.170 471 W CB 0.600 29.878 29.460 -0.302 0.000 1.452 471 W HN 0.021 nan 8.180 nan 0.000 0.572 472 Y N 1.160 121.544 120.300 0.139 0.000 2.453 472 Y HA 0.545 5.095 4.550 -0.000 0.000 0.326 472 Y C 0.863 176.913 175.900 0.249 0.000 1.186 472 Y CA -1.970 56.184 58.100 0.089 0.000 1.200 472 Y CB 1.289 39.806 38.460 0.096 0.000 1.247 472 Y HN 0.372 nan 8.280 nan 0.000 0.482 473 T N 1.953 116.712 114.554 0.340 0.000 2.907 473 T HA 0.047 4.397 4.350 -0.000 0.000 0.298 473 T C 0.119 174.846 174.700 0.045 0.000 1.017 473 T CA -0.544 61.695 62.100 0.233 0.000 1.118 473 T CB -0.004 68.969 68.868 0.175 0.000 0.948 473 T HN 0.508 nan 8.240 nan 0.000 0.531 474 N N 2.283 120.910 118.700 -0.122 0.000 2.412 474 N HA 0.075 4.815 4.740 -0.000 0.000 0.258 474 N C 1.242 176.396 175.510 -0.593 0.000 1.236 474 N CA 0.949 53.757 53.050 -0.403 0.000 0.882 474 N CB 0.340 38.454 38.487 -0.622 0.000 1.066 474 N HN 0.785 nan 8.380 nan 0.000 0.465 475 S N 3.321 118.695 115.700 -0.543 0.000 4.154 475 S HA -0.391 4.079 4.470 -0.000 0.000 0.538 475 S C 0.948 175.456 174.600 -0.155 0.000 1.296 475 S CA 2.038 59.922 58.200 -0.525 0.000 3.684 475 S CB -1.341 61.360 63.200 -0.831 0.000 1.955 475 S HN 0.883 nan 8.310 nan 0.000 0.461 476 F N 1.214 121.114 119.950 -0.084 0.000 2.653 476 F HA 0.550 5.077 4.527 -0.000 0.000 0.304 476 F C 0.890 176.638 175.800 -0.087 0.000 1.092 476 F CA -0.876 56.985 58.000 -0.233 0.000 1.279 476 F CB -1.212 37.317 39.000 -0.784 0.000 1.044 476 F HN 0.505 nan 8.300 nan 0.000 0.564 477 H N 1.552 120.414 119.070 -0.347 0.000 2.852 477 H HA 0.321 4.877 4.556 -0.000 0.000 0.362 477 H C 0.337 175.659 175.328 -0.009 0.000 1.122 477 H CA -0.326 55.645 56.048 -0.128 0.000 1.419 477 H CB 1.409 31.070 29.762 -0.168 0.000 1.401 477 H HN 0.195 nan 8.280 nan 0.000 0.609 478 V N 1.120 121.130 119.914 0.160 0.000 2.614 478 V HA 0.084 4.204 4.120 -0.000 0.000 0.291 478 V C 0.794 176.867 176.094 -0.035 0.000 1.049 478 V CA -0.746 61.591 62.300 0.061 0.000 1.038 478 V CB 1.424 33.294 31.823 0.079 0.000 0.980 478 V HN 0.771 nan 8.190 nan 0.000 0.481 479 S N 2.872 118.408 115.700 -0.272 0.000 2.550 479 S HA 0.012 4.482 4.470 -0.000 0.000 0.285 479 S C 1.223 175.776 174.600 -0.078 0.000 1.326 479 S CA 0.039 58.051 58.200 -0.313 0.000 1.037 479 S CB 0.961 63.710 63.200 -0.752 0.000 0.838 479 S HN 1.890 nan 8.310 nan 0.000 0.519 480 V N 1.855 121.787 119.914 0.031 0.000 2.548 480 V HA 0.009 4.128 4.120 -0.000 0.000 0.249 480 V C 1.837 177.962 176.094 0.050 0.000 1.055 480 V CA 1.806 64.140 62.300 0.058 0.000 1.065 480 V CB -1.180 30.705 31.823 0.102 0.000 0.681 480 V HN 0.901 nan 8.190 nan 0.000 0.462 481 E N 0.623 120.855 120.200 0.053 0.000 2.472 481 E HA -0.015 4.335 4.350 -0.000 0.000 0.200 481 E C 0.786 177.402 176.600 0.026 0.000 1.046 481 E CA 0.294 56.723 56.400 0.049 0.000 0.871 481 E CB -0.009 29.724 29.700 0.055 0.000 0.806 481 E HN 0.742 nan 8.360 nan 0.000 0.533 482 E N 1.003 121.206 120.200 0.005 0.000 2.349 482 E HA 0.092 4.442 4.350 -0.000 0.000 0.265 482 E C -0.010 176.606 176.600 0.027 0.000 1.064 482 E CA -0.224 56.187 56.400 0.018 0.000 0.886 482 E CB 0.584 30.292 29.700 0.012 0.000 1.036 482 E HN -0.039 nan 8.360 nan 0.000 0.413 483 N N 3.190 121.909 118.700 0.032 0.000 3.170 483 N HA 0.128 4.868 4.740 -0.000 0.000 0.305 483 N C -1.007 174.525 175.510 0.038 0.000 1.499 483 N CA -0.173 52.896 53.050 0.032 0.000 1.110 483 N CB -0.004 38.501 38.487 0.030 0.000 1.390 483 N HN 0.350 nan 8.380 nan 0.000 0.508 484 I N 0.863 121.458 120.570 0.041 0.000 2.472 484 I HA 0.083 4.253 4.170 -0.000 0.000 0.290 484 I C 1.451 177.600 176.117 0.054 0.000 1.016 484 I CA -0.244 61.087 61.300 0.052 0.000 1.348 484 I CB 1.163 39.199 38.000 0.060 0.000 1.417 484 I HN 0.115 nan 8.210 nan 0.000 0.521 485 T N 6.304 120.900 114.554 0.069 0.000 2.899 485 T HA 0.191 4.541 4.350 -0.000 0.000 0.295 485 T C -1.572 173.166 174.700 0.063 0.000 1.033 485 T CA -1.234 60.918 62.100 0.087 0.000 1.084 485 T CB 1.197 70.147 68.868 0.136 0.000 0.979 485 T HN 0.334 nan 8.240 nan 0.000 0.532 486 P HA -0.101 nan 4.420 nan 0.000 0.216 486 P C 1.004 178.161 177.300 -0.238 0.000 1.157 486 P CA 1.519 64.517 63.100 -0.170 0.000 0.880 486 P CB -0.107 31.372 31.700 -0.368 0.000 0.791 487 F N -0.737 119.176 119.950 -0.061 0.000 2.234 487 F HA -0.113 4.413 4.527 -0.000 0.000 0.299 487 F C 2.438 178.248 175.800 0.016 0.000 1.087 487 F CA 1.068 58.958 58.000 -0.184 0.000 1.340 487 F CB -1.066 37.560 39.000 -0.624 0.000 1.031 487 F HN -0.043 nan 8.300 nan 0.000 0.500 488 E N 1.215 121.515 120.200 0.166 0.000 2.047 488 E HA -0.178 4.172 4.350 -0.000 0.000 0.191 488 E C 2.129 178.810 176.600 0.135 0.000 0.987 488 E CA 1.462 57.943 56.400 0.136 0.000 0.799 488 E CB -0.252 29.509 29.700 0.103 0.000 0.752 488 E HN 0.244 nan 8.360 nan 0.000 0.449 489 K N 0.088 120.557 120.400 0.114 0.000 2.009 489 K HA -0.139 4.181 4.320 -0.000 0.000 0.210 489 K C 2.263 178.953 176.600 0.149 0.000 1.049 489 K CA 1.866 58.225 56.287 0.121 0.000 0.929 489 K CB -0.367 32.191 32.500 0.097 0.000 0.714 489 K HN 0.213 nan 8.250 nan 0.000 0.440 490 I N 0.356 121.012 120.570 0.143 0.000 2.264 490 I HA -0.295 3.875 4.170 -0.000 0.000 0.248 490 I C 2.522 178.691 176.117 0.088 0.000 1.111 490 I CA 1.123 62.493 61.300 0.116 0.000 1.382 490 I CB -0.228 37.836 38.000 0.107 0.000 1.060 490 I HN 0.247 nan 8.210 nan 0.000 0.418 491 S N 0.087 115.874 115.700 0.144 0.000 2.395 491 S HA -0.098 4.372 4.470 -0.000 0.000 0.225 491 S C 2.180 176.843 174.600 0.105 0.000 1.027 491 S CA 0.835 59.086 58.200 0.086 0.000 0.965 491 S CB -0.114 63.165 63.200 0.133 0.000 0.812 491 S HN 0.289 nan 8.310 nan 0.000 0.482 492 R N 0.490 121.077 120.500 0.144 0.000 2.148 492 R HA 0.036 4.376 4.340 -0.000 0.000 0.223 492 R C 1.672 178.136 176.300 0.272 0.000 1.088 492 R CA 1.223 57.431 56.100 0.180 0.000 0.985 492 R CB -0.025 30.381 30.300 0.177 0.000 0.880 492 R HN 0.518 nan 8.270 nan 0.000 0.451 493 E N -0.635 119.731 120.200 0.277 0.000 2.216 493 E HA 0.036 4.386 4.350 -0.000 0.000 0.192 493 E C 1.838 178.604 176.600 0.277 0.000 0.973 493 E CA 0.460 57.105 56.400 0.408 0.000 0.851 493 E CB 0.131 30.123 29.700 0.486 0.000 0.804 493 E HN 0.279 nan 8.360 nan 0.000 0.477 494 A N 2.455 125.334 122.820 0.098 0.000 1.971 494 A HA -0.176 4.144 4.320 -0.000 0.000 0.222 494 A C -0.366 177.280 177.584 0.103 0.000 1.182 494 A CA 1.535 53.556 52.037 -0.027 0.000 0.649 494 A CB -1.479 17.523 19.000 0.002 0.000 0.818 494 A HN 0.156 nan 8.150 nan 0.000 0.458 495 P HA -0.092 nan 4.420 nan 0.000 0.223 495 P C 0.665 177.873 177.300 -0.152 0.000 1.151 495 P CA 0.840 63.912 63.100 -0.046 0.000 0.787 495 P CB -0.167 31.386 31.700 -0.245 0.000 0.788 496 Y N -1.414 118.768 120.300 -0.198 0.000 2.373 496 Y HA -0.133 4.416 4.550 -0.000 0.000 0.293 496 Y C 2.494 178.158 175.900 -0.394 0.000 1.129 496 Y CA 1.187 58.997 58.100 -0.483 0.000 1.226 496 Y CB -1.180 36.407 38.460 -1.454 0.000 1.000 496 Y HN 0.233 nan 8.280 nan 0.000 0.549 497 H N -1.905 116.917 119.070 -0.413 0.000 2.489 497 H HA -0.127 4.428 4.556 -0.000 0.000 0.293 497 H C 0.967 175.752 175.328 -0.905 0.000 1.066 497 H CA 1.139 56.689 56.048 -0.829 0.000 1.305 497 H CB -0.142 29.144 29.762 -0.793 0.000 1.386 497 H HN 0.358 nan 8.280 nan 0.000 0.551 498 F N -0.523 119.315 119.950 -0.187 0.000 2.749 498 F HA 0.132 4.659 4.527 -0.000 0.000 0.300 498 F C 1.948 177.694 175.800 -0.091 0.000 1.103 498 F CA 0.190 58.108 58.000 -0.137 0.000 1.342 498 F CB 0.280 39.203 39.000 -0.127 0.000 1.098 498 F HN 0.056 nan 8.300 nan 0.000 0.586 499 I N -0.868 119.717 120.570 0.024 0.000 3.039 499 I HA 0.158 4.327 4.170 -0.000 0.000 0.270 499 I C 1.407 177.588 176.117 0.107 0.000 1.150 499 I CA 0.232 61.557 61.300 0.042 0.000 1.448 499 I CB -0.199 37.790 38.000 -0.017 0.000 1.197 499 I HN -0.088 nan 8.210 nan 0.000 0.450 500 A N 1.641 124.562 122.820 0.169 0.000 3.078 500 A HA 0.240 4.560 4.320 -0.000 0.000 0.279 500 A C 1.461 179.310 177.584 0.443 0.000 1.594 500 A CA -0.031 52.212 52.037 0.342 0.000 1.301 500 A CB -0.958 18.372 19.000 0.549 0.000 1.162 500 A HN 0.466 nan 8.150 nan 0.000 0.585 501 T N -2.108 112.633 114.554 0.311 0.000 2.962 501 T HA -0.080 4.269 4.350 -0.000 0.000 0.270 501 T C 1.680 176.607 174.700 0.379 0.000 1.088 501 T CA 1.554 63.847 62.100 0.322 0.000 1.127 501 T CB -0.194 68.787 68.868 0.189 0.000 0.883 501 T HN 0.527 nan 8.240 nan 0.000 0.493 502 G N 0.777 109.798 108.800 0.368 0.000 2.598 502 G HA2 0.455 4.415 3.960 -0.000 0.000 0.215 502 G HA3 0.455 4.415 3.960 -0.000 0.000 0.215 502 G C 0.589 175.744 174.900 0.425 0.000 1.131 502 G CA 0.065 45.372 45.100 0.345 0.000 0.785 502 G HN 1.043 nan 8.290 nan 0.000 0.539 503 G N -0.107 108.954 108.800 0.433 0.000 2.318 503 G HA2 0.512 4.472 3.960 -0.000 0.000 0.306 503 G HA3 0.512 4.472 3.960 -0.000 0.000 0.306 503 G C -1.218 173.753 174.900 0.118 0.000 1.696 503 G CA -0.472 44.788 45.100 0.267 0.000 0.905 503 G HN 0.788 nan 8.290 nan 0.000 0.700 504 H N 0.037 119.284 119.070 0.296 0.000 2.969 504 H HA 0.799 5.355 4.556 -0.000 0.000 0.304 504 H C -1.756 173.584 175.328 0.020 0.000 1.400 504 H CA -0.833 55.300 56.048 0.142 0.000 1.182 504 H CB 1.915 31.720 29.762 0.072 0.000 1.865 504 H HN 0.993 nan 8.280 nan 0.000 0.512 505 I N 0.554 121.139 120.570 0.024 0.000 2.842 505 I HA 0.334 4.504 4.170 -0.000 0.000 0.296 505 I C -1.454 174.570 176.117 -0.155 0.000 1.538 505 I CA -0.216 60.969 61.300 -0.192 0.000 0.994 505 I CB 2.356 39.963 38.000 -0.655 0.000 1.372 505 I HN 0.704 nan 8.210 nan 0.000 0.478 506 S N 3.688 119.296 115.700 -0.152 0.000 2.536 506 S HA 0.727 5.197 4.470 -0.000 0.000 0.287 506 S C -1.631 172.646 174.600 -0.537 0.000 1.101 506 S CA -0.354 57.723 58.200 -0.205 0.000 0.950 506 S CB 1.580 65.003 63.200 0.372 0.000 1.056 506 S HN 0.390 nan 8.310 nan 0.000 0.481 507 Y N 0.446 120.544 120.300 -0.336 0.000 2.549 507 Y HA 0.756 5.306 4.550 -0.000 0.000 0.339 507 Y C -0.051 175.737 175.900 -0.187 0.000 1.053 507 Y CA -0.944 56.928 58.100 -0.381 0.000 1.105 507 Y CB 1.340 39.597 38.460 -0.338 0.000 1.258 507 Y HN 0.355 nan 8.280 nan 0.000 0.478 508 V N 1.898 121.817 119.914 0.008 0.000 2.841 508 V HA 0.356 4.476 4.120 -0.000 0.000 0.310 508 V C -0.859 175.232 176.094 -0.005 0.000 1.090 508 V CA -1.044 61.292 62.300 0.060 0.000 0.930 508 V CB 2.183 34.116 31.823 0.184 0.000 1.014 508 V HN 0.657 nan 8.190 nan 0.000 0.425 509 E N 3.498 123.691 120.200 -0.012 0.000 2.216 509 E HA 0.633 4.983 4.350 -0.000 0.000 0.279 509 E C -1.349 175.239 176.600 -0.020 0.000 0.997 509 E CA -0.560 55.816 56.400 -0.039 0.000 0.817 509 E CB 2.296 31.971 29.700 -0.041 0.000 1.096 509 E HN 0.236 nan 8.360 nan 0.000 0.393 510 L N 3.229 124.435 121.223 -0.028 0.000 2.424 510 L HA 0.459 4.799 4.340 -0.000 0.000 0.258 510 L C -2.417 174.438 176.870 -0.025 0.000 0.995 510 L CA -2.005 52.825 54.840 -0.016 0.000 0.821 510 L CB 1.938 43.993 42.059 -0.007 0.000 1.383 510 L HN 0.296 nan 8.230 nan 0.000 0.410 511 P HA 0.172 nan 4.420 nan 0.000 0.297 511 P C -1.139 176.147 177.300 -0.024 0.000 1.303 511 P CA -0.508 62.580 63.100 -0.020 0.000 0.753 511 P CB 0.349 32.043 31.700 -0.010 0.000 1.281 512 D N 0.549 120.935 120.400 -0.023 0.000 2.450 512 D HA 0.011 4.651 4.640 -0.000 0.000 0.247 512 D C 0.149 176.434 176.300 -0.024 0.000 1.162 512 D CA 0.584 54.569 54.000 -0.025 0.000 0.879 512 D CB 0.291 41.078 40.800 -0.022 0.000 1.163 512 D HN 0.136 nan 8.370 nan 0.000 0.472 513 M N 3.466 123.048 119.600 -0.030 0.000 2.502 513 M HA 0.078 4.558 4.480 -0.000 0.000 0.351 513 M C 1.361 177.637 176.300 -0.041 0.000 1.118 513 M CA -0.255 55.024 55.300 -0.035 0.000 0.952 513 M CB 0.147 32.718 32.600 -0.048 0.000 1.424 513 M HN 0.320 nan 8.290 nan 0.000 0.529 514 K N 1.254 121.634 120.400 -0.032 0.000 2.152 514 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 514 K C 0.715 177.299 176.600 -0.026 0.000 1.048 514 K CA 1.319 57.588 56.287 -0.029 0.000 0.933 514 K CB -0.013 32.475 32.500 -0.019 0.000 0.721 514 K HN 0.351 nan 8.250 nan 0.000 0.447 515 N N 0.285 118.973 118.700 -0.021 0.000 2.238 515 N HA -0.013 4.727 4.740 -0.000 0.000 0.222 515 N C -0.413 175.087 175.510 -0.016 0.000 1.133 515 N CA -0.015 53.026 53.050 -0.016 0.000 0.854 515 N CB 0.551 39.032 38.487 -0.009 0.000 1.041 515 N HN 0.008 nan 8.380 nan 0.000 0.510 516 N N 0.577 119.262 118.700 -0.025 0.000 2.672 516 N HA 0.158 4.898 4.740 -0.000 0.000 0.295 516 N C 0.096 175.580 175.510 -0.043 0.000 1.924 516 N CA -0.075 52.962 53.050 -0.022 0.000 0.851 516 N CB 0.022 38.501 38.487 -0.013 0.000 1.281 516 N HN -0.060 nan 8.380 nan 0.000 0.494 517 L N 0.327 121.517 121.223 -0.056 0.000 2.131 517 L HA 0.020 4.360 4.340 -0.000 0.000 0.210 517 L C 2.160 178.974 176.870 -0.093 0.000 1.092 517 L CA 1.211 55.991 54.840 -0.100 0.000 0.759 517 L CB -0.209 41.791 42.059 -0.099 0.000 0.903 517 L HN 0.183 nan 8.230 nan 0.000 0.435 518 K N -0.156 120.224 120.400 -0.033 0.000 2.283 518 K HA -0.043 4.277 4.320 -0.000 0.000 0.202 518 K C 2.016 178.624 176.600 0.013 0.000 1.048 518 K CA 1.084 57.373 56.287 0.003 0.000 0.948 518 K CB -0.628 31.891 32.500 0.031 0.000 0.742 518 K HN 0.286 nan 8.250 nan 0.000 0.458 519 G N 0.367 109.168 108.800 0.001 0.000 2.394 519 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.215 519 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.215 519 G C 1.401 176.309 174.900 0.014 0.000 1.165 519 G CA 0.435 45.554 45.100 0.031 0.000 0.784 519 G HN 0.308 nan 8.290 nan 0.000 0.535 520 L N 0.312 121.489 121.223 -0.075 0.000 2.093 520 L HA 0.037 4.377 4.340 -0.000 0.000 0.208 520 L C 2.733 179.460 176.870 -0.238 0.000 1.085 520 L CA 1.878 56.617 54.840 -0.168 0.000 0.755 520 L CB -0.269 41.614 42.059 -0.292 0.000 0.904 520 L HN 0.427 nan 8.230 nan 0.000 0.435 521 E N -0.079 119.993 120.200 -0.213 0.000 2.204 521 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 521 E C 2.018 178.692 176.600 0.123 0.000 0.990 521 E CA 1.079 57.417 56.400 -0.103 0.000 0.821 521 E CB 0.043 29.717 29.700 -0.043 0.000 0.750 521 E HN 0.588 nan 8.360 nan 0.000 0.477 522 A N 0.447 123.349 122.820 0.137 0.000 1.858 522 A HA -0.150 4.169 4.320 -0.000 0.000 0.216 522 A C 2.408 180.186 177.584 0.324 0.000 1.190 522 A CA 1.598 53.785 52.037 0.251 0.000 0.617 522 A CB -0.813 18.349 19.000 0.270 0.000 0.827 522 A HN 0.215 nan 8.150 nan 0.000 0.443 523 V N -1.978 118.059 119.914 0.205 0.000 2.287 523 V HA -0.292 3.827 4.120 -0.000 0.000 0.248 523 V C 2.336 178.569 176.094 0.231 0.000 1.053 523 V CA 1.929 64.277 62.300 0.081 0.000 1.027 523 V CB -1.146 30.736 31.823 0.098 0.000 0.646 523 V HN 0.750 nan 8.190 nan 0.000 0.447 524 W N 0.827 122.176 121.300 0.082 0.000 2.318 524 W HA -0.145 4.515 4.660 -0.000 0.000 0.313 524 W C 2.436 178.961 176.519 0.010 0.000 1.221 524 W CA 1.479 58.862 57.345 0.064 0.000 1.266 524 W CB -0.956 28.574 29.460 0.117 0.000 1.150 524 W HN 0.324 nan 8.180 nan 0.000 0.496 525 D N -2.084 118.517 120.400 0.335 0.000 2.178 525 D HA -0.202 4.438 4.640 -0.000 0.000 0.202 525 D C 1.843 178.282 176.300 0.231 0.000 0.974 525 D CA 1.265 55.405 54.000 0.233 0.000 0.841 525 D CB -0.732 40.215 40.800 0.245 0.000 0.953 525 D HN 0.170 nan 8.370 nan 0.000 0.478 526 Y N 1.790 122.177 120.300 0.146 0.000 2.133 526 Y HA -0.102 4.448 4.550 -0.000 0.000 0.287 526 Y C 2.377 178.303 175.900 0.043 0.000 1.134 526 Y CA 1.463 59.661 58.100 0.164 0.000 1.133 526 Y CB -0.528 38.078 38.460 0.244 0.000 0.987 526 Y HN -0.064 nan 8.280 nan 0.000 0.502 527 A N 0.475 123.164 122.820 -0.219 0.000 1.908 527 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 527 A C 2.448 179.856 177.584 -0.294 0.000 1.181 527 A CA 2.243 53.960 52.037 -0.534 0.000 0.627 527 A CB -1.587 16.537 19.000 -1.459 0.000 0.818 527 A HN 0.596 nan 8.150 nan 0.000 0.445 528 A N -0.856 121.856 122.820 -0.179 0.000 1.892 528 A HA -0.267 4.052 4.320 -0.000 0.000 0.218 528 A C 2.183 179.717 177.584 -0.082 0.000 1.188 528 A CA 2.376 54.358 52.037 -0.093 0.000 0.631 528 A CB -0.587 18.389 19.000 -0.041 0.000 0.822 528 A HN 0.604 nan 8.150 nan 0.000 0.447 529 Q N -0.863 118.888 119.800 -0.082 0.000 2.046 529 Q HA -0.171 4.169 4.340 -0.000 0.000 0.200 529 Q C 1.714 177.530 176.000 -0.308 0.000 0.975 529 Q CA 2.365 58.071 55.803 -0.161 0.000 0.836 529 Q CB -0.404 28.241 28.738 -0.156 0.000 0.896 529 Q HN 0.799 nan 8.270 nan 0.000 0.428 530 H N -1.329 117.586 119.070 -0.258 0.000 2.482 530 H HA 0.228 4.784 4.556 -0.000 0.000 0.286 530 H C -0.158 175.105 175.328 -0.109 0.000 1.017 530 H CA 0.997 56.904 56.048 -0.236 0.000 1.322 530 H CB 0.239 29.747 29.762 -0.424 0.000 1.426 530 H HN 0.271 nan 8.280 nan 0.000 0.546 531 L N -3.420 117.742 121.223 -0.101 0.000 2.223 531 L HA 0.488 4.827 4.340 -0.000 0.000 0.243 531 L C 0.678 177.464 176.870 -0.141 0.000 1.105 531 L CA -0.977 53.718 54.840 -0.242 0.000 0.943 531 L CB 0.383 41.985 42.059 -0.762 0.000 1.542 531 L HN -0.267 nan 8.230 nan 0.000 0.437 532 D N -1.220 119.172 120.400 -0.012 0.000 2.306 532 D HA 0.011 4.650 4.640 -0.000 0.000 0.239 532 D C -0.488 176.016 176.300 0.340 0.000 1.105 532 D CA 1.005 55.102 54.000 0.161 0.000 0.950 532 D CB 0.136 40.999 40.800 0.105 0.000 1.036 532 D HN 0.458 nan 8.370 nan 0.000 0.428 533 Y N 0.396 120.930 120.300 0.389 0.000 2.330 533 Y HA 0.492 5.042 4.550 -0.000 0.000 0.336 533 Y C -1.335 174.780 175.900 0.358 0.000 1.036 533 Y CA -1.802 56.477 58.100 0.297 0.000 1.125 533 Y CB 0.323 38.992 38.460 0.348 0.000 1.194 533 Y HN 0.016 nan 8.280 nan 0.000 0.469 534 F N 3.576 123.606 119.950 0.134 0.000 2.631 534 F HA 0.776 5.303 4.527 -0.000 0.000 0.308 534 F C -0.898 174.817 175.800 -0.142 0.000 1.097 534 F CA -0.455 57.492 58.000 -0.088 0.000 0.952 534 F CB 2.126 41.106 39.000 -0.035 0.000 1.307 534 F HN 0.645 nan 8.300 nan 0.000 0.450 535 G N 2.099 110.246 108.800 -1.089 0.000 2.690 535 G HA2 0.604 4.564 3.960 -0.000 0.000 0.291 535 G HA3 0.604 4.564 3.960 -0.000 0.000 0.291 535 G C -2.516 171.968 174.900 -0.693 0.000 1.403 535 G CA -0.858 43.864 45.100 -0.629 0.000 0.864 535 G HN 0.655 nan 8.290 nan 0.000 0.480 536 V N 1.470 121.233 119.914 -0.251 0.000 2.487 536 V HA 0.417 4.537 4.120 -0.000 0.000 0.298 536 V C -0.988 175.032 176.094 -0.124 0.000 1.028 536 V CA -1.278 60.940 62.300 -0.137 0.000 0.860 536 V CB 1.713 33.583 31.823 0.079 0.000 0.991 536 V HN 0.645 nan 8.190 nan 0.000 0.427 537 N N 5.895 124.503 118.700 -0.152 0.000 2.422 537 N HA 0.723 5.463 4.740 -0.000 0.000 0.266 537 N C -0.634 174.800 175.510 -0.127 0.000 1.007 537 N CA -0.175 52.758 53.050 -0.196 0.000 0.941 537 N CB 1.764 40.090 38.487 -0.269 0.000 1.115 537 N HN 0.612 nan 8.380 nan 0.000 0.492 538 M N 1.216 120.744 119.600 -0.120 0.000 2.667 538 M HA 0.519 4.998 4.480 -0.000 0.000 0.286 538 M C -2.613 173.632 176.300 -0.092 0.000 1.270 538 M CA -1.833 53.416 55.300 -0.085 0.000 0.826 538 M CB 2.489 35.052 32.600 -0.062 0.000 1.743 538 M HN 0.113 nan 8.290 nan 0.000 0.460 539 P HA 0.332 nan 4.420 nan 0.000 0.284 539 P C -1.552 175.711 177.300 -0.062 0.000 1.253 539 P CA -0.518 62.541 63.100 -0.068 0.000 0.800 539 P CB 1.070 32.739 31.700 -0.053 0.000 0.961 540 V N 3.485 123.360 119.914 -0.065 0.000 2.501 540 V HA 0.398 4.518 4.120 -0.000 0.000 0.277 540 V C -1.736 174.330 176.094 -0.046 0.000 1.004 540 V CA -0.381 61.888 62.300 -0.053 0.000 0.862 540 V CB 0.727 32.514 31.823 -0.060 0.000 1.035 540 V HN 0.428 nan 8.190 nan 0.000 0.448 541 D N 4.867 125.245 120.400 -0.036 0.000 2.490 541 D HA 0.555 5.195 4.640 -0.000 0.000 0.232 541 D C -0.829 175.458 176.300 -0.021 0.000 1.053 541 D CA -0.559 53.423 54.000 -0.030 0.000 0.914 541 D CB 3.246 44.027 40.800 -0.030 0.000 1.431 541 D HN 0.550 nan 8.370 nan 0.000 0.483 542 K N -0.368 120.022 120.400 -0.017 0.000 2.126 542 K HA 0.522 4.842 4.320 -0.000 0.000 0.245 542 K C -0.342 176.252 176.600 -0.010 0.000 1.068 542 K CA -0.566 55.715 56.287 -0.011 0.000 0.877 542 K CB 1.729 34.224 32.500 -0.007 0.000 1.406 542 K HN 0.486 nan 8.250 nan 0.000 0.490 573 N N 1.411 120.098 118.700 -0.021 0.000 2.621 573 N HA 0.417 5.157 4.740 -0.000 0.000 0.271 573 N C -1.504 173.987 175.510 -0.032 0.000 1.181 573 N CA -0.053 52.982 53.050 -0.025 0.000 0.805 573 N CB 1.254 39.728 38.487 -0.022 0.000 1.351 573 N HN 0.398 nan 8.380 nan 0.000 0.539 574 T N 2.323 116.854 114.554 -0.037 0.000 2.743 574 T HA 0.499 4.849 4.350 -0.000 0.000 0.292 574 T C 0.080 174.746 174.700 -0.057 0.000 0.972 574 T CA -0.642 61.431 62.100 -0.045 0.000 0.967 574 T CB 1.077 69.919 68.868 -0.042 0.000 0.926 574 T HN 0.253 nan 8.240 nan 0.000 0.459 575 I N 3.236 123.766 120.570 -0.067 0.000 2.509 575 I HA 0.564 4.734 4.170 -0.000 0.000 0.293 575 I C 0.198 176.251 176.117 -0.106 0.000 1.020 575 I CA -0.994 60.255 61.300 -0.086 0.000 1.088 575 I CB 1.893 39.839 38.000 -0.090 0.000 1.267 575 I HN 0.594 nan 8.210 nan 0.000 0.430 576 R N 3.825 124.252 120.500 -0.122 0.000 2.740 576 R HA 0.486 4.826 4.340 -0.000 0.000 0.273 576 R C -0.624 175.565 176.300 -0.184 0.000 0.998 576 R CA -0.981 55.029 56.100 -0.149 0.000 0.900 576 R CB 3.025 33.248 30.300 -0.129 0.000 1.223 576 R HN 0.532 nan 8.270 nan 0.000 0.466 577 R N 1.088 121.440 120.500 -0.246 0.000 2.396 577 R HA 0.144 4.484 4.340 -0.000 0.000 0.292 577 R C 0.409 176.501 176.300 -0.347 0.000 1.240 577 R CA -0.017 55.896 56.100 -0.312 0.000 1.270 577 R CB 0.419 30.458 30.300 -0.436 0.000 1.108 577 R HN 0.810 nan 8.270 nan 0.000 0.573 578 T N -1.483 112.914 114.554 -0.262 0.000 3.067 578 T HA 0.058 4.408 4.350 -0.000 0.000 0.261 578 T C 1.074 175.599 174.700 -0.293 0.000 1.110 578 T CA 0.250 62.192 62.100 -0.263 0.000 1.113 578 T CB -0.025 68.715 68.868 -0.214 0.000 0.917 578 T HN 0.484 nan 8.240 nan 0.000 0.499 579 C N 0.016 119.148 119.300 -0.279 0.000 3.419 579 C HA 0.867 5.327 4.460 -0.000 0.000 0.085 579 C C 2.745 177.583 174.990 -0.253 0.000 2.509 579 C CA 0.093 58.965 59.018 -0.242 0.000 1.254 579 C CB 0.327 27.961 27.740 -0.178 0.000 2.260 579 C HN 0.452 nan 8.230 nan 0.000 0.495 580 A N -0.898 121.810 122.820 -0.186 0.000 1.909 580 A HA 0.421 4.741 4.320 -0.000 0.000 0.209 580 A C 0.335 177.724 177.584 -0.325 0.000 1.247 580 A CA 1.006 52.888 52.037 -0.258 0.000 0.660 580 A CB -0.582 18.183 19.000 -0.392 0.000 0.910 580 A HN 0.697 nan 8.150 nan 0.000 0.465 581 Y N -0.617 119.666 120.300 -0.029 0.000 2.480 581 Y HA 0.582 5.132 4.550 -0.000 0.000 0.323 581 Y C 0.423 176.234 175.900 -0.148 0.000 1.267 581 Y CA -0.903 57.169 58.100 -0.047 0.000 1.336 581 Y CB 0.524 38.986 38.460 0.002 0.000 1.361 581 Y HN 0.071 nan 8.280 nan 0.000 0.518 582 L N 0.816 122.048 121.223 0.016 0.000 2.418 582 L HA 0.662 5.002 4.340 -0.000 0.000 0.265 582 L C 0.451 177.272 176.870 -0.082 0.000 1.143 582 L CA -0.097 54.677 54.840 -0.109 0.000 0.809 582 L CB 0.763 42.735 42.059 -0.145 0.000 1.124 582 L HN 0.876 nan 8.230 nan 0.000 0.456 583 G N 1.011 109.754 108.800 -0.095 0.000 2.523 583 G HA2 0.082 4.042 3.960 -0.000 0.000 0.291 583 G HA3 0.082 4.042 3.960 -0.000 0.000 0.291 583 G C -1.862 172.991 174.900 -0.078 0.000 1.450 583 G CA -0.604 44.450 45.100 -0.077 0.000 0.790 583 G HN 0.432 nan 8.290 nan 0.000 0.496 584 N N 1.324 119.985 118.700 -0.065 0.000 2.462 584 N HA 0.345 5.085 4.740 -0.000 0.000 0.242 584 N C -1.660 173.816 175.510 -0.057 0.000 1.010 584 N CA -1.848 51.167 53.050 -0.060 0.000 0.939 584 N CB 1.920 40.377 38.487 -0.050 0.000 1.127 584 N HN 0.204 nan 8.380 nan 0.000 0.509 585 P HA 0.055 nan 4.420 nan 0.000 0.263 585 P C 0.297 177.566 177.300 -0.052 0.000 1.386 585 P CA 0.148 63.211 63.100 -0.061 0.000 0.797 585 P CB 0.354 32.012 31.700 -0.071 0.000 1.381 586 N N 0.205 118.877 118.700 -0.047 0.000 2.395 586 N HA -0.003 4.737 4.740 -0.000 0.000 0.175 586 N C 0.569 176.056 175.510 -0.039 0.000 1.029 586 N CA 0.585 53.611 53.050 -0.040 0.000 0.897 586 N CB 0.448 38.914 38.487 -0.036 0.000 0.991 586 N HN 0.241 nan 8.380 nan 0.000 0.441 587 E N 0.000 120.175 120.200 -0.041 0.000 2.725 587 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 587 E CA 0.000 56.375 56.400 -0.041 0.000 0.976 587 E CB 0.000 29.677 29.700 -0.039 0.000 0.812 587 E HN 0.000 nan 8.360 nan 0.000 0.440