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 2e3x_1_A DATA FIRST_RESID 7 DATA SEQUENCE QFNKIFIELV IIVDHSMAKK cNSTATNTKI YEIVNSANEI FNPLNIHVTL DATA SEQUENCE IGVEFWcDRD LINVTSSADE TLNSFGEWRA SDLMTRKSHD NALLFTDMRF DATA SEQUENCE DLNTLGITFL AGMcQAYRSV GIVQEQGNRN FKTAVIMAHE LSHNLGMYHD DATA SEQUENCE GKNcIcNDSS cVMSPVLSDQ PSKLFSNcSI HDYQRYLTRY KPKcIFNPPL DATA SEQUENCE RKDIVSPPVc GNEIWEEGEE cDcGSPANcQ NPccDAATcK LKPGAEcGNG DATA SEQUENCE LccYQcKIKT AGTVcRRARD EcDVPEHcTG QSAEcPRDQL QQNGKPcQNN DATA SEQUENCE RGYcYNGDcP IMRNQcISLF GSRANVAKDS cFQENLKGSY YGYcRKENGR DATA SEQUENCE KIPcAPQDVK cGRLFcLNNS PRNKNPcNMH YSCMDQHKGM VDPGTKcEDG DATA SEQUENCE KVcNNKRQcV DVNTAY 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 7 Q HA 0.000 nan 4.340 nan 0.000 0.214 7 Q C 0.000 175.841 176.000 -0.266 0.000 1.003 7 Q CA 0.000 55.740 55.803 -0.104 0.000 1.022 7 Q CB 0.000 28.756 28.738 0.031 0.000 1.108 8 F N 0.582 120.544 119.950 0.020 0.000 2.523 8 F HA 0.477 5.003 4.527 -0.001 0.000 0.329 8 F C 0.451 176.257 175.800 0.010 0.000 1.061 8 F CA -0.744 57.260 58.000 0.007 0.000 0.967 8 F CB 1.809 40.840 39.000 0.051 0.000 1.218 8 F HN 0.502 nan 8.300 nan 0.000 0.480 9 N N 1.137 119.951 118.700 0.190 0.000 2.518 9 N HA 0.087 4.826 4.740 -0.001 0.000 0.266 9 N C -0.785 174.759 175.510 0.057 0.000 1.196 9 N CA -0.477 52.638 53.050 0.108 0.000 0.947 9 N CB 0.610 39.159 38.487 0.103 0.000 1.098 9 N HN 0.391 nan 8.380 nan 0.000 0.450 10 K N 2.362 122.800 120.400 0.063 0.000 2.447 10 K HA 0.100 4.419 4.320 -0.001 0.000 0.281 10 K C -0.459 176.076 176.600 -0.109 0.000 1.031 10 K CA 0.309 56.611 56.287 0.024 0.000 1.019 10 K CB 0.437 32.997 32.500 0.100 0.000 0.918 10 K HN 0.332 nan 8.250 nan 0.000 0.476 11 I N 4.066 124.505 120.570 -0.219 0.000 2.569 11 I HA 0.373 4.542 4.170 -0.001 0.000 0.296 11 I C -0.551 175.351 176.117 -0.358 0.000 1.028 11 I CA -0.767 60.384 61.300 -0.248 0.000 1.082 11 I CB 1.263 39.131 38.000 -0.220 0.000 1.264 11 I HN 0.396 nan 8.210 nan 0.000 0.429 12 F N 5.485 125.413 119.950 -0.035 0.000 2.518 12 F HA 0.526 5.053 4.527 -0.001 0.000 0.323 12 F C 0.215 176.020 175.800 0.009 0.000 1.129 12 F CA -0.545 57.467 58.000 0.020 0.000 0.920 12 F CB 1.646 40.655 39.000 0.015 0.000 1.160 12 F HN 0.130 nan 8.300 nan 0.000 0.440 13 I N 3.294 123.952 120.570 0.147 0.000 2.330 13 I HA 0.219 4.388 4.170 -0.001 0.000 0.286 13 I C -0.322 175.879 176.117 0.140 0.000 1.025 13 I CA -0.522 60.840 61.300 0.104 0.000 1.197 13 I CB 0.966 38.986 38.000 0.032 0.000 1.358 13 I HN 0.565 nan 8.210 nan 0.000 0.467 14 E N 6.527 126.808 120.200 0.136 0.000 2.029 14 E HA 0.169 4.518 4.350 -0.001 0.000 0.276 14 E C -0.670 176.021 176.600 0.151 0.000 1.163 14 E CA -0.380 56.100 56.400 0.134 0.000 0.909 14 E CB 0.883 30.652 29.700 0.116 0.000 1.046 14 E HN 0.303 nan 8.360 nan 0.000 0.406 15 L N 3.803 125.110 121.223 0.140 0.000 2.322 15 L HA 0.396 4.735 4.340 -0.001 0.000 0.279 15 L C -0.979 175.953 176.870 0.105 0.000 1.036 15 L CA -0.721 54.206 54.840 0.145 0.000 0.807 15 L CB 1.688 43.828 42.059 0.135 0.000 1.226 15 L HN 0.193 nan 8.230 nan 0.000 0.433 16 V N 6.208 126.180 119.914 0.096 0.000 2.531 16 V HA 0.478 4.597 4.120 -0.001 0.000 0.301 16 V C -0.064 176.038 176.094 0.014 0.000 1.034 16 V CA -0.458 61.838 62.300 -0.007 0.000 0.865 16 V CB 1.700 33.413 31.823 -0.184 0.000 0.995 16 V HN 0.636 nan 8.190 nan 0.000 0.424 17 I N 5.456 125.977 120.570 -0.082 0.000 2.437 17 I HA 0.498 4.667 4.170 -0.001 0.000 0.298 17 I C -0.812 175.156 176.117 -0.249 0.000 0.984 17 I CA -0.674 60.519 61.300 -0.179 0.000 1.214 17 I CB 1.822 39.536 38.000 -0.475 0.000 1.365 17 I HN 0.311 nan 8.210 nan 0.000 0.469 18 I N 6.329 126.755 120.570 -0.240 0.000 2.389 18 I HA 0.289 4.458 4.170 -0.001 0.000 0.288 18 I C -0.227 175.541 176.117 -0.581 0.000 0.999 18 I CA -0.723 60.309 61.300 -0.448 0.000 1.129 18 I CB 1.689 39.429 38.000 -0.434 0.000 1.288 18 I HN 0.118 nan 8.210 nan 0.000 0.444 19 V N 6.084 125.577 119.914 -0.701 0.000 2.318 19 V HA 0.140 4.259 4.120 -0.001 0.000 0.271 19 V C 0.124 175.966 176.094 -0.419 0.000 1.030 19 V CA -0.765 61.221 62.300 -0.523 0.000 0.844 19 V CB 1.114 32.552 31.823 -0.641 0.000 1.015 19 V HN 0.806 nan 8.190 nan 0.000 0.460 20 D N 2.244 122.446 120.400 -0.331 0.000 2.371 20 D HA -0.036 4.603 4.640 -0.001 0.000 0.242 20 D C 1.248 177.632 176.300 0.140 0.000 1.218 20 D CA -0.149 53.806 54.000 -0.074 0.000 0.945 20 D CB 0.493 41.277 40.800 -0.026 0.000 1.137 20 D HN 0.463 nan 8.370 nan 0.000 0.464 21 H N 0.103 119.288 119.070 0.191 0.000 2.400 21 H HA -0.194 4.361 4.556 -0.001 0.000 0.295 21 H C 1.807 177.176 175.328 0.067 0.000 1.118 21 H CA 2.500 58.631 56.048 0.138 0.000 1.256 21 H CB -0.140 29.694 29.762 0.118 0.000 1.365 21 H HN 0.370 nan 8.280 nan 0.000 0.502 22 S N -0.247 115.504 115.700 0.085 0.000 2.365 22 S HA -0.226 4.243 4.470 -0.001 0.000 0.221 22 S C 2.157 176.731 174.600 -0.043 0.000 1.037 22 S CA 1.702 59.898 58.200 -0.006 0.000 1.060 22 S CB -0.231 62.950 63.200 -0.031 0.000 0.974 22 S HN 0.436 nan 8.310 nan 0.000 0.427 23 M N 0.688 120.271 119.600 -0.027 0.000 2.492 23 M HA 0.115 4.594 4.480 -0.001 0.000 0.262 23 M C 1.966 178.277 176.300 0.017 0.000 1.090 23 M CA 0.592 55.883 55.300 -0.014 0.000 1.110 23 M CB -0.732 31.860 32.600 -0.014 0.000 1.407 23 M HN 0.372 nan 8.290 nan 0.000 0.470 24 A N -0.015 122.813 122.820 0.014 0.000 2.251 24 A HA -0.023 4.296 4.320 -0.001 0.000 0.209 24 A C 2.050 179.572 177.584 -0.103 0.000 1.187 24 A CA 0.338 52.409 52.037 0.056 0.000 0.823 24 A CB -0.420 18.672 19.000 0.154 0.000 0.846 24 A HN 0.401 nan 8.150 nan 0.000 0.486 25 K N 0.669 120.969 120.400 -0.166 0.000 1.988 25 K HA -0.209 4.111 4.320 -0.001 0.000 0.221 25 K C 0.884 177.416 176.600 -0.113 0.000 1.053 25 K CA 1.892 58.062 56.287 -0.194 0.000 0.959 25 K CB -0.184 32.242 32.500 -0.123 0.000 0.728 25 K HN 0.162 nan 8.250 nan 0.000 0.447 26 K N 1.679 122.037 120.400 -0.070 0.000 2.480 26 K HA 0.019 4.338 4.320 -0.001 0.000 0.241 26 K C 0.597 177.160 176.600 -0.063 0.000 1.261 26 K CA -0.008 56.245 56.287 -0.057 0.000 1.193 26 K CB -0.746 31.727 32.500 -0.044 0.000 1.598 26 K HN 0.386 nan 8.250 nan 0.000 0.278 27 c N 2.254 120.812 118.600 -0.071 0.000 2.400 27 c HA -0.225 4.344 4.570 -0.001 0.000 0.288 27 c C 0.898 174.869 174.090 -0.199 0.000 1.224 27 c CA 0.907 57.179 56.329 -0.096 0.000 1.852 27 c CB -1.690 40.779 42.510 -0.068 0.000 2.086 27 c HN 0.915 nan 8.230 nan 0.000 0.511 28 N N 0.422 119.034 118.700 -0.146 0.000 2.374 28 N HA 0.027 4.766 4.740 -0.001 0.000 0.269 28 N C 0.771 176.149 175.510 -0.220 0.000 1.310 28 N CA 0.804 53.756 53.050 -0.163 0.000 0.877 28 N CB 0.836 39.265 38.487 -0.098 0.000 1.096 28 N HN 0.552 nan 8.380 nan 0.000 0.484 29 S N 2.557 118.059 115.700 -0.331 0.000 2.288 29 S HA -0.121 4.348 4.470 -0.001 0.000 0.174 29 S C 1.499 176.013 174.600 -0.143 0.000 1.328 29 S CA 0.898 58.881 58.200 -0.361 0.000 2.112 29 S CB -0.997 61.945 63.200 -0.430 0.000 0.609 29 S HN 0.889 nan 8.310 nan 0.000 0.358 30 T N 1.553 116.048 114.554 -0.099 0.000 11.885 30 T HA -0.434 3.915 4.350 -0.001 0.000 0.416 30 T C 1.515 176.184 174.700 -0.051 0.000 1.443 30 T CA 3.505 65.577 62.100 -0.048 0.000 2.385 30 T CB -1.625 67.222 68.868 -0.036 0.000 2.858 30 T HN 0.687 nan 8.240 nan 0.000 0.894 31 A N 0.375 123.166 122.820 -0.048 0.000 1.883 31 A HA -0.052 4.267 4.320 -0.001 0.000 0.217 31 A C 2.683 180.233 177.584 -0.055 0.000 1.186 31 A CA 3.322 55.335 52.037 -0.040 0.000 0.624 31 A CB -1.451 17.531 19.000 -0.031 0.000 0.822 31 A HN 0.813 nan 8.150 nan 0.000 0.444 32 T N 0.808 115.339 114.554 -0.039 0.000 2.622 32 T HA -0.193 4.156 4.350 -0.001 0.000 0.266 32 T C 1.795 176.404 174.700 -0.152 0.000 1.047 32 T CA 1.920 64.004 62.100 -0.027 0.000 1.159 32 T CB -0.665 68.280 68.868 0.129 0.000 0.863 32 T HN 0.644 nan 8.240 nan 0.000 0.422 33 N N 0.815 119.388 118.700 -0.210 0.000 2.091 33 N HA -0.112 4.627 4.740 -0.001 0.000 0.193 33 N C 1.981 176.917 175.510 -0.957 0.000 1.021 33 N CA 1.739 54.393 53.050 -0.660 0.000 0.862 33 N CB -0.905 37.259 38.487 -0.538 0.000 1.018 33 N HN 0.341 nan 8.380 nan 0.000 0.429 34 T N 0.515 114.822 114.554 -0.412 0.000 2.720 34 T HA -0.164 4.185 4.350 -0.001 0.000 0.268 34 T C 1.725 176.359 174.700 -0.110 0.000 1.037 34 T CA 1.171 63.182 62.100 -0.149 0.000 1.144 34 T CB -0.142 68.715 68.868 -0.019 0.000 0.864 34 T HN 0.289 nan 8.240 nan 0.000 0.444 35 K N 0.518 120.846 120.400 -0.121 0.000 2.057 35 K HA 0.000 4.319 4.320 -0.001 0.000 0.206 35 K C 2.290 178.853 176.600 -0.062 0.000 1.050 35 K CA 1.014 57.270 56.287 -0.053 0.000 0.935 35 K CB -0.253 32.227 32.500 -0.033 0.000 0.715 35 K HN 0.319 nan 8.250 nan 0.000 0.439 36 I N 0.321 120.777 120.570 -0.190 0.000 2.113 36 I HA -0.332 3.837 4.170 -0.001 0.000 0.238 36 I C 2.066 178.166 176.117 -0.029 0.000 1.070 36 I CA 1.578 62.758 61.300 -0.199 0.000 1.332 36 I CB -0.536 37.225 38.000 -0.398 0.000 1.044 36 I HN 0.253 nan 8.210 nan 0.000 0.402 37 Y N 0.939 121.232 120.300 -0.012 0.000 2.151 37 Y HA -0.305 4.244 4.550 -0.001 0.000 0.284 37 Y C 2.629 178.547 175.900 0.030 0.000 1.166 37 Y CA 1.009 59.115 58.100 0.010 0.000 1.163 37 Y CB -0.421 38.050 38.460 0.017 0.000 0.974 37 Y HN 0.261 nan 8.280 nan 0.000 0.511 38 E N 0.255 120.564 120.200 0.182 0.000 2.150 38 E HA -0.154 4.195 4.350 -0.001 0.000 0.193 38 E C 2.065 178.730 176.600 0.109 0.000 0.985 38 E CA 0.999 57.477 56.400 0.131 0.000 0.814 38 E CB -0.123 29.638 29.700 0.101 0.000 0.752 38 E HN 0.545 nan 8.360 nan 0.000 0.466 39 I N 0.570 121.198 120.570 0.096 0.000 2.202 39 I HA -0.246 3.923 4.170 -0.001 0.000 0.242 39 I C 2.357 178.520 176.117 0.076 0.000 1.091 39 I CA 0.731 62.081 61.300 0.083 0.000 1.368 39 I CB -0.275 37.809 38.000 0.141 0.000 1.058 39 I HN -0.023 nan 8.210 nan 0.000 0.410 40 V N 1.404 121.384 119.914 0.110 0.000 2.233 40 V HA -0.347 3.772 4.120 -0.001 0.000 0.247 40 V C 2.306 178.457 176.094 0.094 0.000 1.050 40 V CA 2.580 64.948 62.300 0.112 0.000 1.010 40 V CB -1.044 30.860 31.823 0.134 0.000 0.637 40 V HN 0.518 nan 8.190 nan 0.000 0.444 41 N N 0.418 119.181 118.700 0.106 0.000 2.094 41 N HA -0.193 4.546 4.740 -0.001 0.000 0.191 41 N C 1.833 177.391 175.510 0.079 0.000 1.023 41 N CA 2.131 55.239 53.050 0.097 0.000 0.857 41 N CB -0.314 38.235 38.487 0.102 0.000 1.013 41 N HN 0.433 nan 8.380 nan 0.000 0.426 42 S N -0.296 115.447 115.700 0.072 0.000 2.382 42 S HA -0.058 4.411 4.470 -0.001 0.000 0.228 42 S C 2.036 176.599 174.600 -0.061 0.000 1.027 42 S CA 1.016 59.252 58.200 0.059 0.000 0.991 42 S CB -0.649 62.589 63.200 0.063 0.000 0.823 42 S HN 0.628 nan 8.310 nan 0.000 0.469 43 A N 2.876 125.643 122.820 -0.090 0.000 1.877 43 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 43 A C 1.948 179.454 177.584 -0.130 0.000 1.186 43 A CA 1.511 53.434 52.037 -0.192 0.000 0.620 43 A CB -0.698 18.244 19.000 -0.096 0.000 0.822 43 A HN 0.460 nan 8.150 nan 0.000 0.443 44 N N 0.068 118.786 118.700 0.029 0.000 2.223 44 N HA -0.143 4.596 4.740 -0.001 0.000 0.185 44 N C 1.547 177.086 175.510 0.050 0.000 1.016 44 N CA 1.469 54.571 53.050 0.086 0.000 0.863 44 N CB -0.368 38.179 38.487 0.101 0.000 0.983 44 N HN 0.667 nan 8.380 nan 0.000 0.429 45 E N 0.515 120.737 120.200 0.037 0.000 2.204 45 E HA -0.065 4.284 4.350 -0.001 0.000 0.194 45 E C 1.882 178.501 176.600 0.032 0.000 0.989 45 E CA 0.568 57.000 56.400 0.054 0.000 0.824 45 E CB 0.021 29.777 29.700 0.093 0.000 0.756 45 E HN 0.438 nan 8.360 nan 0.000 0.477 46 I N -0.123 120.413 120.570 -0.057 0.000 2.333 46 I HA -0.149 4.020 4.170 -0.001 0.000 0.246 46 I C 1.882 178.040 176.117 0.068 0.000 1.106 46 I CA 0.933 62.152 61.300 -0.135 0.000 1.411 46 I CB -0.150 37.593 38.000 -0.429 0.000 1.082 46 I HN 0.021 nan 8.210 nan 0.000 0.420 47 F N 1.099 121.090 119.950 0.068 0.000 2.748 47 F HA -0.088 4.438 4.527 -0.001 0.000 0.299 47 F C 2.343 178.067 175.800 -0.127 0.000 1.154 47 F CA -0.035 57.969 58.000 0.007 0.000 1.446 47 F CB -0.258 38.656 39.000 -0.143 0.000 1.112 47 F HN 0.207 nan 8.300 nan 0.000 0.584 48 N N 1.834 120.587 118.700 0.088 0.000 2.037 48 N HA -0.193 4.546 4.740 -0.001 0.000 0.196 48 N C -1.083 174.443 175.510 0.026 0.000 1.034 48 N CA 1.679 54.727 53.050 -0.003 0.000 0.861 48 N CB -1.278 37.233 38.487 0.041 0.000 1.039 48 N HN 0.091 nan 8.380 nan 0.000 0.427 49 P HA -0.031 nan 4.420 nan 0.000 0.234 49 P C 0.448 177.806 177.300 0.097 0.000 1.162 49 P CA 0.688 63.860 63.100 0.120 0.000 0.759 49 P CB 0.050 31.852 31.700 0.171 0.000 0.813 50 L N -2.520 118.686 121.223 -0.028 0.000 2.966 50 L HA 0.283 4.622 4.340 -0.001 0.000 0.262 50 L C 0.435 177.210 176.870 -0.158 0.000 1.165 50 L CA 0.135 54.849 54.840 -0.209 0.000 0.978 50 L CB -0.889 40.794 42.059 -0.627 0.000 1.337 50 L HN -0.136 nan 8.230 nan 0.000 0.563 51 N N 0.237 118.872 118.700 -0.108 0.000 2.741 51 N HA -0.226 4.513 4.740 -0.001 0.000 0.250 51 N C -0.297 175.020 175.510 -0.321 0.000 1.115 51 N CA 0.628 53.617 53.050 -0.101 0.000 0.724 51 N CB -1.109 37.445 38.487 0.113 0.000 1.090 51 N HN 0.287 nan 8.380 nan 0.000 0.558 52 I N 0.811 121.055 120.570 -0.543 0.000 2.331 52 I HA 0.194 4.364 4.170 -0.001 0.000 0.292 52 I C -0.159 175.536 176.117 -0.703 0.000 0.998 52 I CA -0.557 60.370 61.300 -0.620 0.000 1.267 52 I CB 0.865 38.284 38.000 -0.968 0.000 1.386 52 I HN 0.112 nan 8.210 nan 0.000 0.476 53 H N 4.504 123.325 119.070 -0.415 0.000 2.658 53 H HA 0.364 4.919 4.556 -0.001 0.000 0.337 53 H C -0.605 174.655 175.328 -0.112 0.000 1.009 53 H CA -0.642 55.248 56.048 -0.263 0.000 1.231 53 H CB 1.925 31.404 29.762 -0.470 0.000 1.508 53 H HN 0.296 nan 8.280 nan 0.000 0.517 54 V N 3.995 123.980 119.914 0.118 0.000 2.364 54 V HA 0.442 4.561 4.120 -0.001 0.000 0.272 54 V C -0.135 176.063 176.094 0.174 0.000 1.036 54 V CA -0.293 62.093 62.300 0.144 0.000 0.880 54 V CB 0.729 32.657 31.823 0.175 0.000 0.991 54 V HN 0.977 nan 8.190 nan 0.000 0.460 55 T N 5.126 119.792 114.554 0.186 0.000 2.770 55 T HA 0.483 4.832 4.350 -0.001 0.000 0.297 55 T C -0.490 174.283 174.700 0.122 0.000 0.997 55 T CA -0.618 61.583 62.100 0.168 0.000 0.949 55 T CB 1.081 70.070 68.868 0.202 0.000 0.941 55 T HN 0.743 nan 8.240 nan 0.000 0.457 56 L N 5.948 127.230 121.223 0.098 0.000 2.485 56 L HA 0.375 4.714 4.340 -0.001 0.000 0.279 56 L C 0.821 177.725 176.870 0.057 0.000 1.124 56 L CA -0.306 54.581 54.840 0.079 0.000 0.888 56 L CB -0.425 41.685 42.059 0.085 0.000 1.217 56 L HN 0.822 nan 8.230 nan 0.000 0.464 57 I N 1.943 122.546 120.570 0.055 0.000 3.904 57 I HA 0.653 4.822 4.170 -0.001 0.000 0.333 57 I C 0.539 176.671 176.117 0.026 0.000 1.361 57 I CA -0.011 61.312 61.300 0.038 0.000 1.116 57 I CB -0.182 37.845 38.000 0.045 0.000 1.028 57 I HN 0.614 nan 8.210 nan 0.000 0.398 58 G N 0.338 109.151 108.800 0.022 0.000 2.442 58 G HA2 0.523 4.482 3.960 -0.001 0.000 0.296 58 G HA3 0.523 4.482 3.960 -0.001 0.000 0.296 58 G C -1.798 173.092 174.900 -0.016 0.000 1.564 58 G CA -0.457 44.646 45.100 0.006 0.000 0.828 58 G HN -0.065 nan 8.290 nan 0.000 0.571 59 V N 1.021 120.930 119.914 -0.008 0.000 2.711 59 V HA 0.543 4.662 4.120 -0.001 0.000 0.304 59 V C -0.568 175.492 176.094 -0.056 0.000 1.097 59 V CA -0.797 61.450 62.300 -0.089 0.000 0.906 59 V CB 1.821 33.599 31.823 -0.074 0.000 1.015 59 V HN 0.827 nan 8.190 nan 0.000 0.427 60 E N 3.373 123.475 120.200 -0.164 0.000 2.256 60 E HA 0.681 5.030 4.350 -0.001 0.000 0.267 60 E C -1.706 174.731 176.600 -0.272 0.000 0.892 60 E CA -0.630 55.755 56.400 -0.024 0.000 0.775 60 E CB 2.953 32.733 29.700 0.134 0.000 1.207 60 E HN 0.486 nan 8.360 nan 0.000 0.420 61 F N 0.538 120.532 119.950 0.073 0.000 2.508 61 F HA 0.313 4.839 4.527 -0.001 0.000 0.325 61 F C -0.193 175.794 175.800 0.312 0.000 1.090 61 F CA -0.737 57.307 58.000 0.074 0.000 0.945 61 F CB 1.209 40.242 39.000 0.055 0.000 1.156 61 F HN 0.442 nan 8.300 nan 0.000 0.463 62 W N 2.649 124.058 121.300 0.182 0.000 2.102 62 W HA 0.310 4.969 4.660 -0.001 0.000 0.357 62 W C 0.533 177.188 176.519 0.227 0.000 0.717 62 W CA -1.401 56.031 57.345 0.145 0.000 2.518 62 W CB -0.250 29.242 29.460 0.055 0.000 2.010 62 W HN 0.535 nan 8.180 nan 0.000 0.672 63 c N -0.168 118.674 118.600 0.403 0.000 2.413 63 c HA -0.203 4.366 4.570 -0.001 0.000 0.276 63 c C 2.349 176.629 174.090 0.317 0.000 1.248 63 c CA 1.150 57.646 56.329 0.279 0.000 1.742 63 c CB -0.545 42.063 42.510 0.163 0.000 2.017 63 c HN 0.393 nan 8.230 nan 0.000 0.481 64 D N 0.061 120.597 120.400 0.228 0.000 2.083 64 D HA 0.008 4.647 4.640 -0.001 0.000 0.199 64 D C 1.252 177.581 176.300 0.049 0.000 0.980 64 D CA 1.239 55.318 54.000 0.132 0.000 0.851 64 D CB 0.058 40.889 40.800 0.052 0.000 0.997 64 D HN 0.569 nan 8.370 nan 0.000 0.449 65 R N -0.670 119.793 120.500 -0.062 0.000 2.906 65 R HA 0.381 4.720 4.340 -0.001 0.000 0.258 65 R C -1.311 174.846 176.300 -0.239 0.000 1.156 65 R CA -0.767 55.158 56.100 -0.291 0.000 0.996 65 R CB 0.754 30.901 30.300 -0.254 0.000 1.259 65 R HN -0.197 nan 8.270 nan 0.000 0.462 66 D N 1.242 121.473 120.400 -0.281 0.000 2.359 66 D HA 0.208 4.847 4.640 -0.001 0.000 0.230 66 D C 0.884 176.823 176.300 -0.601 0.000 1.118 66 D CA -0.096 53.772 54.000 -0.220 0.000 0.844 66 D CB 1.160 41.958 40.800 -0.004 0.000 1.059 66 D HN 0.394 nan 8.370 nan 0.000 0.493 67 L N 3.153 123.524 121.223 -1.419 0.000 2.447 67 L HA -0.020 4.319 4.340 -0.001 0.000 0.225 67 L C 0.932 177.395 176.870 -0.678 0.000 1.148 67 L CA 0.882 55.015 54.840 -1.179 0.000 0.808 67 L CB -0.727 40.293 42.059 -1.731 0.000 0.928 67 L HN 0.448 nan 8.230 nan 0.000 0.448 68 I N -5.871 114.414 120.570 -0.475 0.000 2.827 68 I HA 0.381 4.550 4.170 -0.001 0.000 0.298 68 I C -0.923 175.192 176.117 -0.002 0.000 1.235 68 I CA -1.037 60.196 61.300 -0.112 0.000 1.021 68 I CB 1.579 39.614 38.000 0.058 0.000 1.259 68 I HN -0.280 nan 8.210 nan 0.000 0.427 69 N N 3.503 122.225 118.700 0.036 0.000 2.416 69 N HA 0.194 4.933 4.740 -0.001 0.000 0.265 69 N C -0.479 175.092 175.510 0.103 0.000 1.195 69 N CA -0.093 52.989 53.050 0.053 0.000 0.943 69 N CB 1.399 39.914 38.487 0.047 0.000 1.115 69 N HN 0.453 nan 8.380 nan 0.000 0.481 70 V N 3.180 123.159 119.914 0.108 0.000 2.313 70 V HA 0.062 4.181 4.120 -0.001 0.000 0.252 70 V C 1.241 177.409 176.094 0.123 0.000 1.112 70 V CA -0.424 61.961 62.300 0.141 0.000 0.984 70 V CB -0.482 31.407 31.823 0.111 0.000 1.157 70 V HN 0.664 nan 8.190 nan 0.000 0.493 71 T N 1.298 115.948 114.554 0.160 0.000 2.814 71 T HA 0.189 4.538 4.350 -0.001 0.000 0.284 71 T C 1.457 176.281 174.700 0.206 0.000 0.998 71 T CA 0.101 62.282 62.100 0.136 0.000 0.935 71 T CB 1.244 70.182 68.868 0.116 0.000 1.167 71 T HN 0.592 nan 8.240 nan 0.000 0.545 72 S N -0.574 115.219 115.700 0.155 0.000 2.489 72 S HA 0.060 4.529 4.470 -0.001 0.000 0.228 72 S C 1.181 175.974 174.600 0.322 0.000 0.995 72 S CA 0.190 58.507 58.200 0.195 0.000 0.934 72 S CB -0.508 62.746 63.200 0.090 0.000 0.771 72 S HN 0.810 nan 8.310 nan 0.000 0.522 73 S N 1.067 116.893 115.700 0.210 0.000 2.448 73 S HA 0.622 5.091 4.470 -0.001 0.000 0.279 73 S C 1.176 175.777 174.600 0.003 0.000 1.195 73 S CA -0.191 58.073 58.200 0.107 0.000 1.051 73 S CB 0.766 64.007 63.200 0.068 0.000 0.948 73 S HN 0.495 nan 8.310 nan 0.000 0.493 74 A N 4.649 127.336 122.820 -0.221 0.000 1.933 74 A HA -0.066 4.254 4.320 -0.001 0.000 0.218 74 A C 1.855 179.243 177.584 -0.326 0.000 1.175 74 A CA 1.575 53.216 52.037 -0.659 0.000 0.628 74 A CB -0.502 18.055 19.000 -0.738 0.000 0.814 74 A HN 0.908 nan 8.150 nan 0.000 0.444 75 D N -0.767 119.542 120.400 -0.152 0.000 2.117 75 D HA -0.161 4.479 4.640 -0.001 0.000 0.198 75 D C 1.895 178.208 176.300 0.021 0.000 0.982 75 D CA 1.472 55.440 54.000 -0.053 0.000 0.828 75 D CB -0.171 40.623 40.800 -0.011 0.000 0.967 75 D HN 0.716 nan 8.370 nan 0.000 0.464 76 E N 0.481 120.700 120.200 0.032 0.000 2.051 76 E HA -0.136 4.213 4.350 -0.001 0.000 0.192 76 E C 1.880 178.549 176.600 0.116 0.000 0.991 76 E CA 1.155 57.604 56.400 0.083 0.000 0.799 76 E CB 0.197 29.945 29.700 0.081 0.000 0.748 76 E HN 0.053 nan 8.360 nan 0.000 0.449 77 T N 1.729 116.333 114.554 0.084 0.000 2.708 77 T HA -0.180 4.169 4.350 -0.001 0.000 0.266 77 T C 1.785 176.582 174.700 0.161 0.000 1.037 77 T CA 1.178 63.353 62.100 0.125 0.000 1.146 77 T CB -0.313 68.629 68.868 0.124 0.000 0.865 77 T HN 0.104 nan 8.240 nan 0.000 0.435 78 L N 2.401 123.663 121.223 0.065 0.000 1.989 78 L HA -0.103 4.237 4.340 -0.001 0.000 0.211 78 L C 2.231 179.326 176.870 0.375 0.000 1.071 78 L CA 1.773 56.681 54.840 0.115 0.000 0.749 78 L CB -1.029 40.934 42.059 -0.160 0.000 0.890 78 L HN 0.212 nan 8.230 nan 0.000 0.431 79 N N -0.647 118.296 118.700 0.405 0.000 2.037 79 N HA -0.225 4.514 4.740 -0.001 0.000 0.196 79 N C 1.734 177.585 175.510 0.569 0.000 1.034 79 N CA 2.111 55.499 53.050 0.562 0.000 0.861 79 N CB -0.155 38.517 38.487 0.309 0.000 1.039 79 N HN 0.507 nan 8.380 nan 0.000 0.427 80 S N 0.140 116.080 115.700 0.401 0.000 2.370 80 S HA -0.122 4.348 4.470 -0.001 0.000 0.226 80 S C 1.717 176.588 174.600 0.452 0.000 1.033 80 S CA 0.882 59.305 58.200 0.372 0.000 1.011 80 S CB -0.555 62.811 63.200 0.276 0.000 0.852 80 S HN 0.442 nan 8.310 nan 0.000 0.457 81 F N 2.715 122.845 119.950 0.300 0.000 2.134 81 F HA 0.041 4.567 4.527 -0.001 0.000 0.299 81 F C 2.312 178.341 175.800 0.382 0.000 1.097 81 F CA 1.031 59.234 58.000 0.337 0.000 1.264 81 F CB -1.128 38.009 39.000 0.228 0.000 1.001 81 F HN 0.203 nan 8.300 nan 0.000 0.479 82 G N -0.544 108.446 108.800 0.317 0.000 2.440 82 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.218 82 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.218 82 G C 1.594 176.393 174.900 -0.168 0.000 1.154 82 G CA 0.843 46.018 45.100 0.126 0.000 0.767 82 G HN 0.472 nan 8.290 nan 0.000 0.552 83 E N -0.925 119.271 120.200 -0.008 0.000 2.204 83 E HA -0.124 4.226 4.350 -0.001 0.000 0.194 83 E C 1.984 178.510 176.600 -0.123 0.000 0.989 83 E CA 0.690 57.004 56.400 -0.143 0.000 0.824 83 E CB -0.204 29.683 29.700 0.312 0.000 0.756 83 E HN 0.639 nan 8.360 nan 0.000 0.477 84 W N 1.278 122.509 121.300 -0.115 0.000 2.441 84 W HA -0.060 4.599 4.660 -0.001 0.000 0.302 84 W C 2.227 178.649 176.519 -0.161 0.000 1.191 84 W CA 1.069 58.373 57.345 -0.068 0.000 1.327 84 W CB -0.156 29.354 29.460 0.084 0.000 1.128 84 W HN -0.137 nan 8.180 nan 0.000 0.522 85 R N 1.053 121.401 120.500 -0.253 0.000 2.159 85 R HA -0.167 4.172 4.340 -0.001 0.000 0.237 85 R C 1.681 177.716 176.300 -0.442 0.000 1.131 85 R CA 1.752 57.574 56.100 -0.463 0.000 0.982 85 R CB -0.714 29.346 30.300 -0.402 0.000 0.868 85 R HN 0.339 nan 8.270 nan 0.000 0.453 86 A N -0.772 121.736 122.820 -0.520 0.000 1.911 86 A HA 0.044 4.363 4.320 -0.001 0.000 0.212 86 A C 2.185 179.553 177.584 -0.360 0.000 1.189 86 A CA 0.947 52.674 52.037 -0.518 0.000 0.639 86 A CB -0.077 18.263 19.000 -1.099 0.000 0.839 86 A HN 0.359 nan 8.150 nan 0.000 0.449 87 S N -0.394 115.087 115.700 -0.365 0.000 2.406 87 S HA -0.070 4.399 4.470 -0.001 0.000 0.224 87 S C 1.640 176.089 174.600 -0.252 0.000 1.030 87 S CA 1.053 59.127 58.200 -0.209 0.000 0.958 87 S CB -0.119 63.018 63.200 -0.106 0.000 0.811 87 S HN 0.677 nan 8.310 nan 0.000 0.489 88 D N 0.771 120.878 120.400 -0.488 0.000 2.648 88 D HA 0.087 4.726 4.640 -0.001 0.000 0.261 88 D C 2.014 178.003 176.300 -0.517 0.000 1.261 88 D CA 0.251 53.925 54.000 -0.544 0.000 1.011 88 D CB -0.333 39.916 40.800 -0.918 0.000 1.092 88 D HN 0.100 nan 8.370 nan 0.000 0.417 89 L N 1.483 122.197 121.223 -0.848 0.000 1.951 89 L HA -0.207 4.132 4.340 -0.001 0.000 0.222 89 L C 2.726 179.499 176.870 -0.162 0.000 1.078 89 L CA 1.949 56.487 54.840 -0.502 0.000 0.778 89 L CB -0.959 40.750 42.059 -0.583 0.000 0.893 89 L HN 0.179 nan 8.230 nan 0.000 0.436 90 M N -1.483 118.074 119.600 -0.072 0.000 2.116 90 M HA -0.304 4.175 4.480 -0.001 0.000 0.255 90 M C 2.008 178.300 176.300 -0.014 0.000 1.075 90 M CA 2.585 57.896 55.300 0.018 0.000 1.087 90 M CB -0.916 31.636 32.600 -0.079 0.000 1.340 90 M HN 0.437 nan 8.290 nan 0.000 0.402 91 T N -0.224 114.295 114.554 -0.059 0.000 2.788 91 T HA -0.127 4.222 4.350 -0.001 0.000 0.268 91 T C 1.816 176.507 174.700 -0.015 0.000 1.044 91 T CA 1.181 63.267 62.100 -0.024 0.000 1.139 91 T CB -0.193 68.652 68.868 -0.038 0.000 0.867 91 T HN 0.436 nan 8.240 nan 0.000 0.454 92 R N 0.848 121.325 120.500 -0.038 0.000 2.048 92 R HA 0.170 4.510 4.340 -0.001 0.000 0.224 92 R C 0.551 176.851 176.300 0.000 0.000 1.163 92 R CA 0.804 56.894 56.100 -0.017 0.000 0.956 92 R CB 0.077 30.362 30.300 -0.026 0.000 0.849 92 R HN 0.287 nan 8.270 nan 0.000 0.435 93 K N 0.754 121.154 120.400 -0.001 0.000 2.259 93 K HA 0.243 4.562 4.320 -0.001 0.000 0.252 93 K C -0.800 175.893 176.600 0.155 0.000 0.936 93 K CA -0.389 55.914 56.287 0.027 0.000 0.810 93 K CB 2.371 34.848 32.500 -0.039 0.000 1.143 93 K HN -0.091 nan 8.250 nan 0.000 0.427 94 S N 3.090 118.870 115.700 0.134 0.000 2.513 94 S HA 0.244 4.713 4.470 -0.001 0.000 0.276 94 S C -0.749 174.003 174.600 0.253 0.000 1.254 94 S CA -0.391 57.898 58.200 0.148 0.000 1.053 94 S CB 0.103 63.326 63.200 0.038 0.000 0.958 94 S HN 0.772 nan 8.310 nan 0.000 0.491 95 H N 1.984 121.041 119.070 -0.022 0.000 2.987 95 H HA 0.364 4.919 4.556 -0.001 0.000 0.316 95 H C -0.818 174.514 175.328 0.007 0.000 1.380 95 H CA -0.749 55.300 56.048 0.001 0.000 1.160 95 H CB -0.071 29.697 29.762 0.009 0.000 1.865 95 H HN 0.461 nan 8.280 nan 0.000 0.521 96 D N 0.171 120.569 120.400 -0.003 0.000 2.146 96 D HA -0.051 4.588 4.640 -0.001 0.000 0.209 96 D C 0.459 176.733 176.300 -0.043 0.000 0.973 96 D CA 1.034 55.010 54.000 -0.040 0.000 0.860 96 D CB 0.477 41.304 40.800 0.044 0.000 1.015 96 D HN 0.473 nan 8.370 nan 0.000 0.465 97 N N -0.248 118.500 118.700 0.081 0.000 2.380 97 N HA 0.509 5.248 4.740 -0.001 0.000 0.290 97 N C -1.842 173.828 175.510 0.267 0.000 1.236 97 N CA -0.447 52.679 53.050 0.128 0.000 0.780 97 N CB 2.586 41.138 38.487 0.109 0.000 1.438 97 N HN -0.027 nan 8.380 nan 0.000 0.491 98 A N 2.159 125.138 122.820 0.266 0.000 2.408 98 A HA 0.627 4.946 4.320 -0.001 0.000 0.295 98 A C -1.314 176.524 177.584 0.422 0.000 1.040 98 A CA -0.559 51.677 52.037 0.331 0.000 0.707 98 A CB 0.801 19.997 19.000 0.326 0.000 1.235 98 A HN 0.533 nan 8.150 nan 0.000 0.418 99 L N 1.917 123.367 121.223 0.378 0.000 2.334 99 L HA 0.639 4.978 4.340 -0.001 0.000 0.273 99 L C -0.891 176.120 176.870 0.234 0.000 1.013 99 L CA -1.036 54.008 54.840 0.340 0.000 0.816 99 L CB 1.980 44.256 42.059 0.363 0.000 1.278 99 L HN 0.667 nan 8.230 nan 0.000 0.431 100 L N 2.429 123.578 121.223 -0.124 0.000 2.294 100 L HA 0.535 4.874 4.340 -0.001 0.000 0.283 100 L C -1.128 175.661 176.870 -0.136 0.000 1.015 100 L CA 0.093 54.673 54.840 -0.433 0.000 0.831 100 L CB 0.682 41.958 42.059 -1.305 0.000 1.217 100 L HN 0.158 nan 8.230 nan 0.000 0.420 101 F N 3.540 123.290 119.950 -0.334 0.000 2.420 101 F HA 0.669 5.195 4.527 -0.001 0.000 0.352 101 F C 0.887 176.548 175.800 -0.232 0.000 1.108 101 F CA -0.170 57.689 58.000 -0.234 0.000 1.162 101 F CB 1.604 40.475 39.000 -0.213 0.000 1.118 101 F HN 0.548 nan 8.300 nan 0.000 0.510 102 T N 1.291 115.801 114.554 -0.074 0.000 2.841 102 T HA 0.310 4.659 4.350 -0.001 0.000 0.296 102 T C 0.184 174.809 174.700 -0.124 0.000 1.166 102 T CA -0.573 61.465 62.100 -0.103 0.000 1.007 102 T CB 1.458 70.250 68.868 -0.127 0.000 1.253 102 T HN 0.540 nan 8.240 nan 0.000 0.511 103 D N 0.766 121.080 120.400 -0.143 0.000 2.380 103 D HA 0.088 4.727 4.640 -0.001 0.000 0.212 103 D C 0.962 177.122 176.300 -0.233 0.000 1.021 103 D CA 0.058 53.971 54.000 -0.145 0.000 0.884 103 D CB 0.068 40.807 40.800 -0.102 0.000 1.001 103 D HN 0.425 nan 8.370 nan 0.000 0.506 104 M N 2.055 121.461 119.600 -0.324 0.000 2.207 104 M HA -0.183 4.296 4.480 -0.001 0.000 0.392 104 M C 0.100 176.013 176.300 -0.646 0.000 1.286 104 M CA 0.242 55.233 55.300 -0.515 0.000 0.828 104 M CB 0.326 32.477 32.600 -0.750 0.000 1.903 104 M HN -0.271 nan 8.290 nan 0.000 0.499 105 R N 5.406 125.650 120.500 -0.427 0.000 2.391 105 R HA 0.375 4.714 4.340 -0.001 0.000 0.310 105 R C -1.523 174.635 176.300 -0.236 0.000 1.174 105 R CA -0.188 55.745 56.100 -0.280 0.000 1.118 105 R CB -0.647 29.567 30.300 -0.144 0.000 1.134 105 R HN 0.529 nan 8.270 nan 0.000 0.524 106 F N 1.404 121.327 119.950 -0.044 0.000 2.490 106 F HA 0.124 4.650 4.527 -0.001 0.000 0.336 106 F C 1.192 176.974 175.800 -0.031 0.000 1.178 106 F CA 0.282 58.260 58.000 -0.037 0.000 1.301 106 F CB 0.314 39.285 39.000 -0.048 0.000 1.175 106 F HN 0.421 nan 8.300 nan 0.000 0.593 107 D N 0.633 121.151 120.400 0.197 0.000 2.371 107 D HA 0.185 4.825 4.640 -0.001 0.000 0.242 107 D C 1.040 177.383 176.300 0.072 0.000 1.218 107 D CA -0.022 54.035 54.000 0.095 0.000 0.945 107 D CB 0.483 41.326 40.800 0.072 0.000 1.137 107 D HN 0.565 nan 8.370 nan 0.000 0.464 108 L N 0.226 121.472 121.223 0.039 0.000 4.625 108 L HA -0.346 3.993 4.340 -0.001 0.000 0.428 108 L C 0.349 177.229 176.870 0.016 0.000 1.129 108 L CA 0.231 55.084 54.840 0.022 0.000 0.978 108 L CB -1.374 40.694 42.059 0.016 0.000 2.043 108 L HN 0.533 nan 8.230 nan 0.000 0.847 109 N N -1.269 117.446 118.700 0.025 0.000 2.800 109 N HA -0.140 4.599 4.740 -0.001 0.000 0.250 109 N C 0.574 176.093 175.510 0.014 0.000 1.078 109 N CA 1.537 54.594 53.050 0.012 0.000 0.804 109 N CB -0.903 37.578 38.487 -0.010 0.000 1.135 109 N HN 0.824 nan 8.380 nan 0.000 0.565 110 T N -1.582 112.996 114.554 0.040 0.000 2.901 110 T HA 0.379 4.728 4.350 -0.001 0.000 0.301 110 T C 1.393 176.133 174.700 0.067 0.000 1.012 110 T CA -0.402 61.709 62.100 0.019 0.000 1.135 110 T CB 1.246 70.099 68.868 -0.026 0.000 0.936 110 T HN -0.012 nan 8.240 nan 0.000 0.539 111 L N 2.421 123.639 121.223 -0.008 0.000 2.556 111 L HA 0.523 4.862 4.340 -0.001 0.000 0.226 111 L C 1.290 178.135 176.870 -0.040 0.000 1.089 111 L CA 0.503 55.335 54.840 -0.014 0.000 0.864 111 L CB -0.217 41.792 42.059 -0.083 0.000 1.067 111 L HN 1.123 nan 8.230 nan 0.000 0.477 112 G N -1.000 107.753 108.800 -0.079 0.000 2.632 112 G HA2 0.589 4.548 3.960 -0.001 0.000 0.292 112 G HA3 0.589 4.548 3.960 -0.001 0.000 0.292 112 G C -1.943 172.882 174.900 -0.126 0.000 1.465 112 G CA -0.240 44.794 45.100 -0.110 0.000 0.824 112 G HN -0.149 nan 8.290 nan 0.000 0.509 113 I N -0.097 120.370 120.570 -0.172 0.000 2.842 113 I HA 0.760 4.930 4.170 -0.001 0.000 0.297 113 I C -0.646 175.324 176.117 -0.244 0.000 1.380 113 I CA -0.383 60.792 61.300 -0.208 0.000 1.018 113 I CB 2.584 40.401 38.000 -0.305 0.000 1.311 113 I HN 0.842 nan 8.210 nan 0.000 0.439 114 T N 4.049 118.429 114.554 -0.291 0.000 2.665 114 T HA 0.573 4.923 4.350 -0.001 0.000 0.303 114 T C -1.726 172.714 174.700 -0.434 0.000 1.334 114 T CA -0.317 61.559 62.100 -0.373 0.000 1.011 114 T CB 0.853 69.632 68.868 -0.147 0.000 1.573 114 T HN 0.212 nan 8.240 nan 0.000 0.492 115 F N 1.386 121.315 119.950 -0.035 0.000 2.397 115 F HA 0.655 5.181 4.527 -0.001 0.000 0.331 115 F C 0.231 175.955 175.800 -0.126 0.000 1.090 115 F CA -1.280 56.683 58.000 -0.062 0.000 1.065 115 F CB 0.875 39.875 39.000 0.000 0.000 1.184 115 F HN 0.310 nan 8.300 nan 0.000 0.499 116 L N 3.181 124.432 121.223 0.046 0.000 2.410 116 L HA 0.479 4.818 4.340 -0.001 0.000 0.273 116 L C 0.640 177.414 176.870 -0.162 0.000 1.152 116 L CA -0.133 54.633 54.840 -0.124 0.000 0.855 116 L CB -0.060 41.903 42.059 -0.159 0.000 1.129 116 L HN 0.839 nan 8.230 nan 0.000 0.463 117 A N 3.676 126.316 122.820 -0.300 0.000 2.415 117 A HA -0.161 4.158 4.320 -0.001 0.000 0.292 117 A C 1.210 178.643 177.584 -0.252 0.000 1.452 117 A CA 1.059 52.842 52.037 -0.423 0.000 0.750 117 A CB -2.053 16.574 19.000 -0.621 0.000 1.099 117 A HN 1.227 nan 8.150 nan 0.000 0.391 118 G N -1.062 107.671 108.800 -0.113 0.000 3.044 118 G HA2 0.378 4.337 3.960 -0.001 0.000 0.223 118 G HA3 0.378 4.337 3.960 -0.001 0.000 0.223 118 G C 0.517 175.444 174.900 0.045 0.000 1.123 118 G CA 0.581 45.692 45.100 0.018 0.000 0.765 118 G HN 0.889 nan 8.290 nan 0.000 0.546 119 M N 0.741 120.346 119.600 0.008 0.000 2.243 119 M HA 0.134 4.613 4.480 -0.001 0.000 0.365 119 M C 1.206 177.567 176.300 0.102 0.000 1.327 119 M CA 0.460 55.791 55.300 0.052 0.000 0.918 119 M CB -0.412 32.215 32.600 0.046 0.000 1.894 119 M HN 0.315 nan 8.290 nan 0.000 0.473 120 c N 0.552 119.195 118.600 0.071 0.000 5.824 120 c HA -0.214 4.356 4.570 -0.001 0.000 0.298 120 c C 0.425 174.545 174.090 0.051 0.000 2.179 120 c CA 0.809 57.173 56.329 0.058 0.000 1.933 120 c CB -2.412 40.154 42.510 0.094 0.000 2.949 120 c HN 0.877 nan 8.230 nan 0.000 0.415 121 Q N 0.546 120.391 119.800 0.074 0.000 2.313 121 Q HA 0.495 4.834 4.340 -0.001 0.000 0.266 121 Q C 1.289 177.337 176.000 0.080 0.000 0.989 121 Q CA 0.408 56.263 55.803 0.087 0.000 0.890 121 Q CB 0.924 29.714 28.738 0.087 0.000 1.200 121 Q HN 0.652 nan 8.270 nan 0.000 0.396 122 A N 3.274 126.158 122.820 0.107 0.000 1.859 122 A HA -0.275 4.044 4.320 -0.001 0.000 0.218 122 A C 1.339 178.942 177.584 0.032 0.000 1.242 122 A CA 1.888 53.973 52.037 0.081 0.000 0.661 122 A CB -0.947 18.181 19.000 0.213 0.000 0.842 122 A HN 0.842 nan 8.150 nan 0.000 0.455 123 Y N -0.606 119.647 120.300 -0.078 0.000 2.571 123 Y HA 0.019 4.568 4.550 -0.001 0.000 0.294 123 Y C 2.196 178.064 175.900 -0.053 0.000 1.141 123 Y CA 1.291 59.282 58.100 -0.182 0.000 1.308 123 Y CB 0.032 38.248 38.460 -0.407 0.000 1.002 123 Y HN 0.293 nan 8.280 nan 0.000 0.551 124 R N -1.612 118.989 120.500 0.168 0.000 2.565 124 R HA 0.184 4.523 4.340 -0.001 0.000 0.347 124 R C 0.774 177.284 176.300 0.350 0.000 1.010 124 R CA 0.114 56.407 56.100 0.321 0.000 1.126 124 R CB 0.583 30.900 30.300 0.029 0.000 1.331 124 R HN -0.120 nan 8.270 nan 0.000 0.552 125 S N 1.641 117.456 115.700 0.192 0.000 2.945 125 S HA 0.204 4.674 4.470 -0.001 0.000 0.227 125 S C 0.010 174.695 174.600 0.143 0.000 1.353 125 S CA -0.575 57.703 58.200 0.129 0.000 1.236 125 S CB -0.441 62.790 63.200 0.052 0.000 1.069 125 S HN 0.216 nan 8.310 nan 0.000 0.509 126 V N -1.268 118.770 119.914 0.206 0.000 3.141 126 V HA 1.083 5.203 4.120 -0.001 0.000 0.312 126 V C -0.029 176.157 176.094 0.154 0.000 1.157 126 V CA -0.504 61.934 62.300 0.230 0.000 1.041 126 V CB 1.500 33.470 31.823 0.245 0.000 1.071 126 V HN 0.384 nan 8.190 nan 0.000 0.441 127 G N 0.797 109.736 108.800 0.231 0.000 2.703 127 G HA2 0.670 4.629 3.960 -0.001 0.000 0.294 127 G HA3 0.670 4.629 3.960 -0.001 0.000 0.294 127 G C -1.787 173.100 174.900 -0.021 0.000 1.451 127 G CA -0.768 44.353 45.100 0.035 0.000 0.869 127 G HN 0.877 nan 8.290 nan 0.000 0.516 128 I N 0.536 121.016 120.570 -0.150 0.000 2.493 128 I HA 0.614 4.784 4.170 -0.001 0.000 0.298 128 I C -0.505 175.485 176.117 -0.212 0.000 0.998 128 I CA -1.164 60.004 61.300 -0.221 0.000 1.137 128 I CB 2.256 40.101 38.000 -0.259 0.000 1.310 128 I HN 0.158 nan 8.210 nan 0.000 0.445 129 V N 5.285 125.032 119.914 -0.279 0.000 2.612 129 V HA 0.237 4.356 4.120 -0.001 0.000 0.301 129 V C -0.414 175.479 176.094 -0.335 0.000 1.059 129 V CA -0.685 61.385 62.300 -0.383 0.000 0.886 129 V CB 1.745 33.118 31.823 -0.750 0.000 1.007 129 V HN 0.755 nan 8.190 nan 0.000 0.426 130 Q N 2.809 122.503 119.800 -0.176 0.000 2.294 130 Q HA 0.324 4.664 4.340 -0.001 0.000 0.257 130 Q C -0.133 175.756 176.000 -0.185 0.000 0.955 130 Q CA -0.440 55.285 55.803 -0.131 0.000 0.936 130 Q CB 1.172 29.881 28.738 -0.048 0.000 1.188 130 Q HN 0.766 nan 8.270 nan 0.000 0.420 131 E N 3.290 123.396 120.200 -0.158 0.000 2.299 131 E HA -0.048 4.301 4.350 -0.001 0.000 0.272 131 E C -0.718 175.837 176.600 -0.076 0.000 1.043 131 E CA 0.185 56.525 56.400 -0.100 0.000 0.895 131 E CB 0.696 30.394 29.700 -0.004 0.000 1.011 131 E HN 0.462 nan 8.360 nan 0.000 0.432 132 Q N 4.230 123.989 119.800 -0.069 0.000 3.170 132 Q HA 0.211 4.551 4.340 -0.001 0.000 0.346 132 Q C 0.941 176.922 176.000 -0.032 0.000 1.333 132 Q CA 0.423 56.194 55.803 -0.054 0.000 0.958 132 Q CB -0.083 28.621 28.738 -0.056 0.000 1.600 132 Q HN 0.868 nan 8.270 nan 0.000 0.482 133 G N 2.525 111.307 108.800 -0.029 0.000 2.686 133 G HA2 -0.391 3.569 3.960 -0.001 0.000 0.329 133 G HA3 -0.391 3.569 3.960 -0.001 0.000 0.329 133 G C 0.720 175.616 174.900 -0.006 0.000 1.187 133 G CA 0.507 45.596 45.100 -0.019 0.000 0.965 133 G HN 0.532 nan 8.290 nan 0.000 0.549 134 N N 0.716 119.414 118.700 -0.003 0.000 2.235 134 N HA 0.142 4.881 4.740 -0.001 0.000 0.231 134 N C 1.069 176.588 175.510 0.015 0.000 1.177 134 N CA -0.065 52.989 53.050 0.006 0.000 0.874 134 N CB 0.884 39.373 38.487 0.003 0.000 1.097 134 N HN 0.341 nan 8.380 nan 0.000 0.518 135 R N 1.604 122.111 120.500 0.012 0.000 4.609 135 R HA 0.214 4.553 4.340 -0.001 0.000 0.235 135 R C 0.903 177.228 176.300 0.043 0.000 1.836 135 R CA -0.091 56.024 56.100 0.026 0.000 1.564 135 R CB -0.802 29.504 30.300 0.010 0.000 1.382 135 R HN 0.022 nan 8.270 nan 0.000 0.776 136 N N 0.564 119.296 118.700 0.053 0.000 2.112 136 N HA -0.326 4.414 4.740 -0.001 0.000 0.200 136 N C 1.149 176.700 175.510 0.069 0.000 1.011 136 N CA 1.931 55.020 53.050 0.064 0.000 0.891 136 N CB -0.484 38.051 38.487 0.081 0.000 1.060 136 N HN 0.438 nan 8.380 nan 0.000 0.478 137 F N 1.415 121.348 119.950 -0.029 0.000 2.171 137 F HA -0.098 4.428 4.527 -0.001 0.000 0.300 137 F C 2.288 178.048 175.800 -0.068 0.000 1.090 137 F CA 1.324 59.296 58.000 -0.046 0.000 1.293 137 F CB -0.016 38.956 39.000 -0.046 0.000 1.013 137 F HN -0.013 nan 8.300 nan 0.000 0.486 138 K N -0.727 119.691 120.400 0.029 0.000 2.288 138 K HA -0.100 4.219 4.320 -0.001 0.000 0.201 138 K C 1.760 178.264 176.600 -0.160 0.000 1.048 138 K CA 1.544 57.789 56.287 -0.069 0.000 0.956 138 K CB -0.089 32.407 32.500 -0.007 0.000 0.746 138 K HN 0.212 nan 8.250 nan 0.000 0.461 139 T N 0.284 114.756 114.554 -0.135 0.000 2.896 139 T HA 0.002 4.352 4.350 -0.001 0.000 0.263 139 T C 1.761 176.338 174.700 -0.204 0.000 1.050 139 T CA 0.942 62.951 62.100 -0.152 0.000 1.140 139 T CB -0.068 68.751 68.868 -0.082 0.000 0.877 139 T HN 0.328 nan 8.240 nan 0.000 0.457 140 A N 1.270 123.941 122.820 -0.249 0.000 1.883 140 A HA -0.084 4.235 4.320 -0.001 0.000 0.217 140 A C 2.539 179.888 177.584 -0.393 0.000 1.186 140 A CA 1.465 53.317 52.037 -0.308 0.000 0.624 140 A CB -1.153 17.596 19.000 -0.418 0.000 0.822 140 A HN 0.338 nan 8.150 nan 0.000 0.444 141 V N 0.439 120.062 119.914 -0.486 0.000 2.282 141 V HA -0.324 3.796 4.120 -0.001 0.000 0.249 141 V C 2.437 178.374 176.094 -0.261 0.000 1.057 141 V CA 2.192 64.239 62.300 -0.421 0.000 1.032 141 V CB -0.765 30.831 31.823 -0.378 0.000 0.645 141 V HN 0.590 nan 8.190 nan 0.000 0.447 142 I N -0.795 119.641 120.570 -0.222 0.000 2.127 142 I HA -0.368 3.801 4.170 -0.001 0.000 0.241 142 I C 2.554 178.606 176.117 -0.108 0.000 1.075 142 I CA 2.341 63.548 61.300 -0.155 0.000 1.334 142 I CB -0.424 37.460 38.000 -0.193 0.000 1.040 142 I HN 0.318 nan 8.210 nan 0.000 0.405 143 M N 0.802 120.304 119.600 -0.163 0.000 2.106 143 M HA -0.274 4.206 4.480 -0.001 0.000 0.259 143 M C 2.396 178.661 176.300 -0.059 0.000 1.068 143 M CA 2.401 57.641 55.300 -0.101 0.000 1.100 143 M CB -0.151 32.413 32.600 -0.060 0.000 1.351 143 M HN 0.318 nan 8.290 nan 0.000 0.404 144 A N -1.180 121.520 122.820 -0.200 0.000 1.873 144 A HA -0.254 4.065 4.320 -0.001 0.000 0.215 144 A C 1.803 179.352 177.584 -0.058 0.000 1.186 144 A CA 2.118 53.950 52.037 -0.341 0.000 0.616 144 A CB -1.250 17.328 19.000 -0.703 0.000 0.823 144 A HN 0.772 nan 8.150 nan 0.000 0.442 145 H N -0.186 118.795 119.070 -0.148 0.000 2.387 145 H HA -0.130 4.425 4.556 -0.001 0.000 0.299 145 H C 1.943 177.263 175.328 -0.013 0.000 1.099 145 H CA 2.073 58.068 56.048 -0.088 0.000 1.315 145 H CB 0.178 29.889 29.762 -0.086 0.000 1.380 145 H HN 0.434 nan 8.280 nan 0.000 0.513 146 E N 0.496 120.766 120.200 0.117 0.000 2.021 146 E HA -0.090 4.259 4.350 -0.001 0.000 0.189 146 E C 2.644 179.275 176.600 0.052 0.000 0.980 146 E CA 0.736 57.204 56.400 0.114 0.000 0.803 146 E CB -0.617 29.124 29.700 0.068 0.000 0.766 146 E HN 0.488 nan 8.360 nan 0.000 0.449 147 L N 1.385 122.659 121.223 0.085 0.000 2.129 147 L HA -0.213 4.126 4.340 -0.001 0.000 0.212 147 L C 2.421 179.270 176.870 -0.036 0.000 1.087 147 L CA 1.086 55.971 54.840 0.075 0.000 0.757 147 L CB -0.355 41.836 42.059 0.219 0.000 0.896 147 L HN 0.033 nan 8.230 nan 0.000 0.434 148 S N -1.950 113.748 115.700 -0.003 0.000 2.371 148 S HA -0.134 4.336 4.470 -0.001 0.000 0.224 148 S C 1.890 176.315 174.600 -0.292 0.000 1.029 148 S CA 0.529 58.618 58.200 -0.186 0.000 0.978 148 S CB -0.311 62.845 63.200 -0.074 0.000 0.833 148 S HN 0.447 nan 8.310 nan 0.000 0.466 149 H N 1.573 120.486 119.070 -0.262 0.000 2.422 149 H HA 0.037 4.592 4.556 -0.001 0.000 0.298 149 H C 2.011 177.140 175.328 -0.332 0.000 1.098 149 H CA 0.833 56.688 56.048 -0.323 0.000 1.315 149 H CB -0.383 29.217 29.762 -0.270 0.000 1.382 149 H HN 0.409 nan 8.280 nan 0.000 0.523 150 N N 0.278 118.890 118.700 -0.147 0.000 2.494 150 N HA -0.045 4.695 4.740 -0.001 0.000 0.182 150 N C 0.426 175.667 175.510 -0.449 0.000 1.076 150 N CA 0.036 52.965 53.050 -0.201 0.000 0.908 150 N CB 0.246 38.675 38.487 -0.097 0.000 0.967 150 N HN 0.241 nan 8.380 nan 0.000 0.449 151 L N 0.069 120.940 121.223 -0.587 0.000 3.094 151 L HA 0.287 4.626 4.340 -0.001 0.000 0.254 151 L C 0.983 177.195 176.870 -1.097 0.000 1.298 151 L CA -0.213 54.005 54.840 -1.038 0.000 1.050 151 L CB 0.444 42.151 42.059 -0.586 0.000 1.420 151 L HN 0.076 nan 8.230 nan 0.000 0.548 152 G N 0.360 108.652 108.800 -0.846 0.000 2.168 152 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.263 152 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.263 152 G C 0.305 175.085 174.900 -0.200 0.000 0.977 152 G CA 0.194 45.090 45.100 -0.339 0.000 0.659 152 G HN 0.374 nan 8.290 nan 0.000 0.533 153 M N -0.059 119.382 119.600 -0.265 0.000 2.180 153 M HA 0.569 5.049 4.480 -0.001 0.000 0.358 153 M C 0.449 176.588 176.300 -0.268 0.000 1.233 153 M CA -0.420 54.783 55.300 -0.161 0.000 1.114 153 M CB 0.691 33.167 32.600 -0.206 0.000 1.594 153 M HN 0.172 nan 8.290 nan 0.000 0.467 154 Y N 0.072 120.355 120.300 -0.030 0.000 2.518 154 Y HA 0.328 4.878 4.550 -0.001 0.000 0.332 154 Y C 0.356 176.265 175.900 0.014 0.000 1.276 154 Y CA -0.549 57.547 58.100 -0.007 0.000 1.418 154 Y CB 0.659 39.143 38.460 0.039 0.000 1.527 154 Y HN 0.501 nan 8.280 nan 0.000 0.549 155 H N 0.201 119.450 119.070 0.299 0.000 2.562 155 H HA 0.082 4.637 4.556 -0.001 0.000 0.352 155 H C -0.990 174.426 175.328 0.147 0.000 1.125 155 H CA -0.962 55.203 56.048 0.195 0.000 1.379 155 H CB 0.551 30.451 29.762 0.230 0.000 1.464 155 H HN 0.457 nan 8.280 nan 0.000 0.563 156 D N 1.744 122.286 120.400 0.237 0.000 2.417 156 D HA 0.050 4.690 4.640 -0.001 0.000 0.250 156 D C 0.715 177.086 176.300 0.118 0.000 1.166 156 D CA 0.220 54.305 54.000 0.142 0.000 0.881 156 D CB 1.423 42.279 40.800 0.093 0.000 1.164 156 D HN 0.673 nan 8.370 nan 0.000 0.467 157 G N 1.589 110.443 108.800 0.091 0.000 2.782 157 G HA2 0.095 4.054 3.960 -0.001 0.000 0.201 157 G HA3 0.095 4.054 3.960 -0.001 0.000 0.201 157 G C 0.980 175.905 174.900 0.042 0.000 1.374 157 G CA -0.354 44.787 45.100 0.067 0.000 1.039 157 G HN 0.303 nan 8.290 nan 0.000 0.576 158 K N -0.027 120.391 120.400 0.030 0.000 2.015 158 K HA -0.115 4.204 4.320 -0.001 0.000 0.220 158 K C 0.307 176.917 176.600 0.016 0.000 1.055 158 K CA 1.632 57.931 56.287 0.020 0.000 0.951 158 K CB -0.137 32.372 32.500 0.015 0.000 0.725 158 K HN 0.234 nan 8.250 nan 0.000 0.449 159 N N 0.430 119.138 118.700 0.012 0.000 2.990 159 N HA 0.159 4.898 4.740 -0.001 0.000 0.288 159 N C -1.392 174.121 175.510 0.006 0.000 1.624 159 N CA -0.094 52.961 53.050 0.007 0.000 0.961 159 N CB 0.733 39.221 38.487 0.001 0.000 1.259 159 N HN 0.098 nan 8.380 nan 0.000 0.489 160 c N 1.718 120.328 118.600 0.017 0.000 2.319 160 c HA 0.600 5.170 4.570 -0.001 0.000 0.323 160 c C 0.150 174.256 174.090 0.027 0.000 1.277 160 c CA -0.856 55.486 56.329 0.023 0.000 1.517 160 c CB 0.230 42.767 42.510 0.044 0.000 2.206 160 c HN 0.365 nan 8.230 nan 0.000 0.486 161 I N 1.918 122.504 120.570 0.027 0.000 2.693 161 I HA 0.725 4.894 4.170 -0.001 0.000 0.303 161 I C 0.061 176.202 176.117 0.040 0.000 1.025 161 I CA -0.504 60.814 61.300 0.029 0.000 1.086 161 I CB 1.409 39.423 38.000 0.022 0.000 1.268 161 I HN 0.673 nan 8.210 nan 0.000 0.440 162 c N 1.894 120.514 118.600 0.032 0.000 3.318 162 c HA 0.295 4.864 4.570 -0.001 0.000 0.322 162 c C 1.546 175.649 174.090 0.022 0.000 1.398 162 c CA -0.852 55.497 56.329 0.034 0.000 1.339 162 c CB 1.649 44.174 42.510 0.025 0.000 1.668 162 c HN 0.836 nan 8.230 nan 0.000 0.462 163 N N 0.411 119.123 118.700 0.021 0.000 2.459 163 N HA -0.137 4.603 4.740 -0.001 0.000 0.181 163 N C 0.841 176.353 175.510 0.005 0.000 1.046 163 N CA 0.715 53.773 53.050 0.014 0.000 0.904 163 N CB 0.161 38.658 38.487 0.016 0.000 0.964 163 N HN 0.705 nan 8.380 nan 0.000 0.444 164 D N 0.062 120.462 120.400 -0.000 0.000 2.360 164 D HA 0.053 4.692 4.640 -0.001 0.000 0.210 164 D C -0.067 176.228 176.300 -0.008 0.000 1.047 164 D CA 0.216 54.212 54.000 -0.007 0.000 0.854 164 D CB 0.325 41.117 40.800 -0.013 0.000 0.936 164 D HN -0.120 nan 8.370 nan 0.000 0.514 165 S N -0.595 115.103 115.700 -0.004 0.000 3.476 165 S HA -0.185 4.284 4.470 -0.001 0.000 0.309 165 S C 0.249 174.842 174.600 -0.010 0.000 1.222 165 S CA 0.955 59.153 58.200 -0.004 0.000 0.922 165 S CB -1.872 61.325 63.200 -0.005 0.000 1.023 165 S HN 0.302 nan 8.310 nan 0.000 0.591 166 S N -0.112 115.579 115.700 -0.017 0.000 2.835 166 S HA 0.385 4.854 4.470 -0.001 0.000 0.140 166 S C 0.209 174.783 174.600 -0.043 0.000 1.131 166 S CA -0.133 58.050 58.200 -0.027 0.000 1.110 166 S CB -0.724 62.458 63.200 -0.030 0.000 1.683 166 S HN 0.600 nan 8.310 nan 0.000 0.473 167 c N 1.012 119.589 118.600 -0.038 0.000 2.705 167 c HA 0.309 4.878 4.570 -0.001 0.000 0.382 167 c C 2.341 176.368 174.090 -0.105 0.000 1.322 167 c CA -0.693 55.592 56.329 -0.074 0.000 2.290 167 c CB -0.424 42.067 42.510 -0.031 0.000 2.650 167 c HN 0.595 nan 8.230 nan 0.000 0.695 168 V N 0.972 120.748 119.914 -0.231 0.000 2.317 168 V HA -0.250 3.870 4.120 -0.001 0.000 0.251 168 V C 2.027 178.128 176.094 0.012 0.000 1.065 168 V CA 1.938 64.089 62.300 -0.249 0.000 1.049 168 V CB -0.533 30.896 31.823 -0.658 0.000 0.651 168 V HN 0.820 nan 8.190 nan 0.000 0.450 169 M N 0.967 120.585 119.600 0.030 0.000 2.654 169 M HA 0.156 4.635 4.480 -0.001 0.000 0.217 169 M C 0.914 177.328 176.300 0.189 0.000 1.183 169 M CA -0.039 55.328 55.300 0.111 0.000 0.991 169 M CB -1.287 31.346 32.600 0.055 0.000 1.749 169 M HN 0.562 nan 8.290 nan 0.000 0.475 170 S N 1.536 117.292 115.700 0.093 0.000 2.564 170 S HA 0.276 4.745 4.470 -0.001 0.000 0.278 170 S C -1.335 173.198 174.600 -0.111 0.000 1.333 170 S CA -0.935 57.266 58.200 0.002 0.000 1.048 170 S CB 0.752 63.930 63.200 -0.038 0.000 0.900 170 S HN 0.235 nan 8.310 nan 0.000 0.505 171 P HA 0.051 nan 4.420 nan 0.000 0.234 171 P C -0.397 176.723 177.300 -0.299 0.000 1.167 171 P CA 0.369 63.154 63.100 -0.525 0.000 0.763 171 P CB -0.107 31.354 31.700 -0.398 0.000 0.835 172 V N 1.144 120.936 119.914 -0.203 0.000 2.482 172 V HA 0.216 4.336 4.120 -0.001 0.000 0.295 172 V C -0.059 175.943 176.094 -0.154 0.000 1.026 172 V CA -1.195 61.009 62.300 -0.159 0.000 0.856 172 V CB 2.015 33.777 31.823 -0.102 0.000 1.001 172 V HN -0.149 nan 8.190 nan 0.000 0.424 173 L N 5.560 126.679 121.223 -0.174 0.000 2.433 173 L HA 0.405 4.744 4.340 -0.001 0.000 0.275 173 L C 0.963 177.771 176.870 -0.102 0.000 1.128 173 L CA 0.827 55.574 54.840 -0.155 0.000 0.875 173 L CB 0.861 42.816 42.059 -0.173 0.000 1.171 173 L HN 0.942 nan 8.230 nan 0.000 0.463 174 S N 1.853 117.504 115.700 -0.082 0.000 2.624 174 S HA 0.101 4.570 4.470 -0.001 0.000 0.263 174 S C 0.826 175.399 174.600 -0.045 0.000 1.287 174 S CA -0.030 58.137 58.200 -0.056 0.000 0.990 174 S CB 0.824 63.998 63.200 -0.044 0.000 0.950 174 S HN 0.741 nan 8.310 nan 0.000 0.561 175 D N 0.003 120.384 120.400 -0.033 0.000 2.219 175 D HA -0.055 4.584 4.640 -0.001 0.000 0.205 175 D C 0.561 176.855 176.300 -0.009 0.000 0.970 175 D CA 1.145 55.131 54.000 -0.024 0.000 0.851 175 D CB 0.031 40.818 40.800 -0.022 0.000 0.943 175 D HN 0.668 nan 8.370 nan 0.000 0.488 176 Q N 0.263 120.059 119.800 -0.007 0.000 2.831 176 Q HA 0.281 4.620 4.340 -0.001 0.000 0.366 176 Q C -2.444 173.569 176.000 0.021 0.000 0.899 176 Q CA -1.673 54.137 55.803 0.011 0.000 0.987 176 Q CB 1.817 30.551 28.738 -0.008 0.000 1.382 176 Q HN 0.157 nan 8.270 nan 0.000 0.403 177 P HA -0.125 nan 4.420 nan 0.000 0.266 177 P C 0.108 177.433 177.300 0.043 0.000 1.186 177 P CA 0.500 63.599 63.100 -0.002 0.000 0.767 177 P CB 0.829 32.498 31.700 -0.051 0.000 0.820 178 S N 1.525 117.215 115.700 -0.018 0.000 2.626 178 S HA 0.167 4.636 4.470 -0.001 0.000 0.257 178 S C 0.801 175.385 174.600 -0.028 0.000 1.288 178 S CA -0.247 57.945 58.200 -0.013 0.000 0.980 178 S CB 0.155 63.323 63.200 -0.054 0.000 0.975 178 S HN 0.534 nan 8.310 nan 0.000 0.577 179 K N 0.841 121.229 120.400 -0.020 0.000 2.501 179 K HA 0.370 4.689 4.320 -0.001 0.000 0.204 179 K C -0.605 175.890 176.600 -0.175 0.000 1.067 179 K CA -0.205 56.048 56.287 -0.057 0.000 1.060 179 K CB -0.115 32.497 32.500 0.187 0.000 0.873 179 K HN 0.370 nan 8.250 nan 0.000 0.540 180 L N 1.372 122.486 121.223 -0.181 0.000 2.334 180 L HA 0.525 4.864 4.340 -0.001 0.000 0.276 180 L C -0.512 176.216 176.870 -0.236 0.000 1.014 180 L CA -1.267 53.490 54.840 -0.139 0.000 0.815 180 L CB 0.935 42.981 42.059 -0.022 0.000 1.268 180 L HN -0.111 nan 8.230 nan 0.000 0.428 181 F N 0.201 120.152 119.950 0.001 0.000 2.370 181 F HA 0.318 4.844 4.527 -0.001 0.000 0.324 181 F C 1.053 176.872 175.800 0.032 0.000 1.116 181 F CA -0.078 57.924 58.000 0.003 0.000 1.123 181 F CB 1.631 40.632 39.000 0.001 0.000 1.238 181 F HN 0.520 nan 8.300 nan 0.000 0.536 182 S N 1.057 116.906 115.700 0.248 0.000 2.681 182 S HA 0.154 4.623 4.470 -0.001 0.000 0.270 182 S C 1.053 175.752 174.600 0.166 0.000 1.209 182 S CA -0.635 57.660 58.200 0.159 0.000 0.988 182 S CB 0.957 64.228 63.200 0.118 0.000 1.006 182 S HN 0.700 nan 8.310 nan 0.000 0.558 183 N N 0.442 119.206 118.700 0.106 0.000 2.025 183 N HA -0.144 4.595 4.740 -0.001 0.000 0.194 183 N C 1.746 177.288 175.510 0.053 0.000 1.044 183 N CA 2.154 55.245 53.050 0.069 0.000 0.851 183 N CB -1.455 37.031 38.487 -0.002 0.000 1.036 183 N HN 0.730 nan 8.380 nan 0.000 0.422 184 c N 0.203 118.823 118.600 0.034 0.000 2.413 184 c HA 0.001 4.570 4.570 -0.001 0.000 0.277 184 c C 3.045 177.236 174.090 0.169 0.000 1.265 184 c CA 0.841 57.202 56.329 0.054 0.000 1.752 184 c CB -1.329 41.218 42.510 0.061 0.000 1.998 184 c HN 0.467 nan 8.230 nan 0.000 0.489 185 S N 1.268 117.078 115.700 0.183 0.000 2.353 185 S HA -0.119 4.350 4.470 -0.001 0.000 0.222 185 S C 1.793 176.513 174.600 0.200 0.000 1.035 185 S CA 1.416 59.726 58.200 0.183 0.000 1.025 185 S CB -0.327 63.001 63.200 0.213 0.000 0.902 185 S HN 0.461 nan 8.310 nan 0.000 0.440 186 I N 1.534 122.256 120.570 0.253 0.000 2.145 186 I HA -0.239 3.930 4.170 -0.001 0.000 0.244 186 I C 2.225 178.610 176.117 0.446 0.000 1.075 186 I CA 1.928 63.437 61.300 0.348 0.000 1.332 186 I CB -1.705 36.553 38.000 0.429 0.000 1.033 186 I HN 0.333 nan 8.210 nan 0.000 0.410 187 H N 0.797 120.004 119.070 0.228 0.000 2.389 187 H HA -0.101 4.455 4.556 -0.001 0.000 0.299 187 H C 2.013 177.468 175.328 0.210 0.000 1.081 187 H CA 1.321 57.487 56.048 0.196 0.000 1.345 187 H CB -0.317 29.525 29.762 0.134 0.000 1.393 187 H HN 0.318 nan 8.280 nan 0.000 0.520 188 D N -0.457 120.150 120.400 0.346 0.000 2.117 188 D HA -0.179 4.460 4.640 -0.001 0.000 0.197 188 D C 1.942 178.447 176.300 0.343 0.000 0.987 188 D CA 0.925 55.121 54.000 0.327 0.000 0.829 188 D CB -0.355 40.649 40.800 0.340 0.000 0.961 188 D HN 0.336 nan 8.370 nan 0.000 0.460 189 Y N 1.886 122.263 120.300 0.129 0.000 2.114 189 Y HA -0.243 4.306 4.550 -0.001 0.000 0.284 189 Y C 2.436 178.477 175.900 0.235 0.000 1.143 189 Y CA 1.676 59.816 58.100 0.066 0.000 1.135 189 Y CB -0.671 37.646 38.460 -0.238 0.000 0.980 189 Y HN -0.132 nan 8.280 nan 0.000 0.499 190 Q N 0.780 120.729 119.800 0.248 0.000 2.112 190 Q HA -0.205 4.134 4.340 -0.001 0.000 0.206 190 Q C 2.237 178.282 176.000 0.074 0.000 0.987 190 Q CA 2.142 58.039 55.803 0.157 0.000 0.858 190 Q CB -0.317 28.486 28.738 0.109 0.000 0.905 190 Q HN 0.502 nan 8.270 nan 0.000 0.420 191 R N -1.310 119.279 120.500 0.149 0.000 2.115 191 R HA -0.143 4.197 4.340 -0.001 0.000 0.230 191 R C 2.213 178.622 176.300 0.182 0.000 1.111 191 R CA 1.295 57.483 56.100 0.146 0.000 0.976 191 R CB -0.489 29.927 30.300 0.192 0.000 0.870 191 R HN 0.441 nan 8.270 nan 0.000 0.445 192 Y N 1.589 121.975 120.300 0.143 0.000 2.145 192 Y HA -0.187 4.363 4.550 -0.001 0.000 0.286 192 Y C 1.975 177.975 175.900 0.166 0.000 1.145 192 Y CA 1.441 59.666 58.100 0.208 0.000 1.148 192 Y CB -0.162 38.400 38.460 0.170 0.000 0.981 192 Y HN -0.080 nan 8.280 nan 0.000 0.507 193 L N -0.138 121.001 121.223 -0.141 0.000 2.017 193 L HA -0.216 4.123 4.340 -0.001 0.000 0.208 193 L C 2.635 179.422 176.870 -0.139 0.000 1.073 193 L CA 2.029 56.745 54.840 -0.207 0.000 0.745 193 L CB -1.100 40.864 42.059 -0.159 0.000 0.894 193 L HN 0.416 nan 8.230 nan 0.000 0.432 194 T N -2.776 111.727 114.554 -0.085 0.000 3.072 194 T HA -0.145 4.205 4.350 -0.001 0.000 0.266 194 T C 1.804 176.444 174.700 -0.101 0.000 1.127 194 T CA 0.680 62.736 62.100 -0.073 0.000 1.107 194 T CB 0.012 68.851 68.868 -0.049 0.000 0.910 194 T HN 0.314 nan 8.240 nan 0.000 0.513 195 R N -0.992 119.429 120.500 -0.131 0.000 2.064 195 R HA 0.180 4.519 4.340 -0.001 0.000 0.210 195 R C 1.720 177.810 176.300 -0.351 0.000 1.221 195 R CA 0.220 56.185 56.100 -0.225 0.000 1.055 195 R CB -0.188 29.983 30.300 -0.216 0.000 0.946 195 R HN 0.410 nan 8.270 nan 0.000 0.459 196 Y N 1.373 121.492 120.300 -0.302 0.000 2.457 196 Y HA 0.157 4.707 4.550 -0.001 0.000 0.292 196 Y C 0.134 175.895 175.900 -0.231 0.000 1.125 196 Y CA 0.679 58.607 58.100 -0.286 0.000 1.254 196 Y CB 0.109 38.319 38.460 -0.417 0.000 1.012 196 Y HN 0.040 nan 8.280 nan 0.000 0.555 197 K N 0.517 120.838 120.400 -0.132 0.000 3.730 197 K HA -0.178 4.142 4.320 -0.001 0.000 0.276 197 K C -2.766 173.851 176.600 0.029 0.000 0.904 197 K CA 0.078 56.335 56.287 -0.050 0.000 0.741 197 K CB -1.468 30.996 32.500 -0.060 0.000 1.542 197 K HN 0.277 nan 8.250 nan 0.000 0.446 198 P HA -0.045 nan 4.420 nan 0.000 0.267 198 P C -0.202 177.244 177.300 0.242 0.000 1.209 198 P CA 0.238 63.439 63.100 0.169 0.000 0.763 198 P CB 0.955 32.795 31.700 0.233 0.000 0.816 199 K N 1.749 122.243 120.400 0.157 0.000 2.323 199 K HA 0.026 4.345 4.320 -0.001 0.000 0.197 199 K C 1.693 178.404 176.600 0.184 0.000 1.043 199 K CA 0.747 57.114 56.287 0.132 0.000 0.997 199 K CB -0.149 32.367 32.500 0.026 0.000 0.807 199 K HN 0.583 nan 8.250 nan 0.000 0.497 200 c N 0.811 119.503 118.600 0.155 0.000 2.576 200 c HA 0.247 4.817 4.570 -0.001 0.000 0.267 200 c C 1.520 175.703 174.090 0.155 0.000 1.364 200 c CA -0.670 55.730 56.329 0.119 0.000 1.723 200 c CB -1.517 41.030 42.510 0.061 0.000 1.778 200 c HN 0.433 nan 8.230 nan 0.000 0.572 201 I N -5.235 115.471 120.570 0.228 0.000 3.833 201 I HA 0.487 4.656 4.170 -0.001 0.000 0.328 201 I C 0.881 177.069 176.117 0.118 0.000 1.554 201 I CA -0.319 61.078 61.300 0.160 0.000 1.116 201 I CB -0.494 37.553 38.000 0.078 0.000 1.182 201 I HN 0.013 nan 8.210 nan 0.000 0.459 202 F N 1.192 121.222 119.950 0.134 0.000 2.383 202 F HA 0.273 4.800 4.527 -0.001 0.000 0.287 202 F C 1.169 177.060 175.800 0.152 0.000 1.069 202 F CA 0.363 58.454 58.000 0.153 0.000 1.402 202 F CB 0.139 39.191 39.000 0.086 0.000 1.116 202 F HN 0.103 nan 8.300 nan 0.000 0.549 203 N N 1.919 120.742 118.700 0.205 0.000 2.430 203 N HA 0.248 4.987 4.740 -0.001 0.000 0.292 203 N C -2.564 172.846 175.510 -0.166 0.000 1.051 203 N CA -1.340 51.710 53.050 0.000 0.000 0.917 203 N CB 0.977 39.468 38.487 0.007 0.000 1.164 203 N HN -0.062 nan 8.380 nan 0.000 0.484 204 P HA 0.274 nan 4.420 nan 0.000 0.274 204 P C -2.572 174.572 177.300 -0.260 0.000 1.256 204 P CA -0.849 61.848 63.100 -0.672 0.000 0.795 204 P CB -0.067 30.836 31.700 -1.329 0.000 1.038 205 P HA 0.240 nan 4.420 nan 0.000 0.279 205 P C -0.379 176.854 177.300 -0.113 0.000 1.252 205 P CA -0.501 62.550 63.100 -0.082 0.000 0.811 205 P CB 0.508 32.194 31.700 -0.023 0.000 1.035 206 L N 2.308 123.470 121.223 -0.102 0.000 2.506 206 L HA 0.046 4.386 4.340 -0.001 0.000 0.281 206 L C 2.299 179.072 176.870 -0.163 0.000 1.228 206 L CA 0.706 55.463 54.840 -0.138 0.000 0.850 206 L CB -0.541 41.451 42.059 -0.112 0.000 1.110 206 L HN 0.396 nan 8.230 nan 0.000 0.496 207 R N 1.623 121.969 120.500 -0.257 0.000 2.127 207 R HA -0.215 4.124 4.340 -0.001 0.000 0.238 207 R C 1.896 178.084 176.300 -0.185 0.000 1.134 207 R CA 1.586 57.521 56.100 -0.274 0.000 0.975 207 R CB -0.263 29.742 30.300 -0.490 0.000 0.865 207 R HN 0.572 nan 8.270 nan 0.000 0.447 208 K N 1.034 121.332 120.400 -0.169 0.000 2.074 208 K HA -0.190 4.130 4.320 -0.001 0.000 0.209 208 K C 0.804 177.356 176.600 -0.079 0.000 1.048 208 K CA 2.016 58.234 56.287 -0.115 0.000 0.926 208 K CB 0.058 32.499 32.500 -0.099 0.000 0.713 208 K HN 0.128 nan 8.250 nan 0.000 0.444 209 D N 0.448 120.806 120.400 -0.071 0.000 2.349 209 D HA 0.042 4.681 4.640 -0.001 0.000 0.215 209 D C 0.443 176.725 176.300 -0.031 0.000 1.016 209 D CA 0.320 54.295 54.000 -0.042 0.000 0.870 209 D CB 0.171 40.953 40.800 -0.031 0.000 0.917 209 D HN 0.277 nan 8.370 nan 0.000 0.524 210 I N 2.180 122.724 120.570 -0.045 0.000 2.452 210 I HA -0.058 4.111 4.170 -0.001 0.000 0.287 210 I C 1.804 177.895 176.117 -0.043 0.000 1.079 210 I CA -0.291 60.992 61.300 -0.029 0.000 1.387 210 I CB 1.597 39.578 38.000 -0.031 0.000 1.404 210 I HN -0.196 nan 8.210 nan 0.000 0.522 211 V N 1.875 121.772 119.914 -0.029 0.000 3.354 211 V HA 0.030 4.149 4.120 -0.001 0.000 0.258 211 V C 1.137 177.140 176.094 -0.153 0.000 1.159 211 V CA 0.096 62.370 62.300 -0.042 0.000 1.125 211 V CB 0.204 32.043 31.823 0.027 0.000 0.774 211 V HN 0.703 nan 8.190 nan 0.000 0.464 212 S N 2.101 117.698 115.700 -0.172 0.000 2.549 212 S HA 0.347 4.816 4.470 -0.001 0.000 0.283 212 S C -2.299 172.079 174.600 -0.369 0.000 1.320 212 S CA -0.809 57.162 58.200 -0.382 0.000 1.058 212 S CB 0.383 63.496 63.200 -0.145 0.000 0.882 212 S HN 0.393 nan 8.310 nan 0.000 0.498 213 P HA 0.167 nan 4.420 nan 0.000 0.263 213 P C -2.341 174.875 177.300 -0.140 0.000 1.195 213 P CA -0.663 62.267 63.100 -0.283 0.000 0.762 213 P CB -0.241 31.299 31.700 -0.268 0.000 0.799 214 P HA -0.050 nan 4.420 nan 0.000 0.266 214 P C -0.734 176.568 177.300 0.004 0.000 1.180 214 P CA 0.724 63.810 63.100 -0.023 0.000 0.765 214 P CB 0.368 32.062 31.700 -0.010 0.000 0.806 215 V N 2.692 122.628 119.914 0.037 0.000 2.610 215 V HA 0.148 4.268 4.120 -0.001 0.000 0.298 215 V C -0.169 175.970 176.094 0.074 0.000 1.067 215 V CA -0.671 61.661 62.300 0.053 0.000 0.894 215 V CB 1.943 33.802 31.823 0.059 0.000 1.015 215 V HN 0.771 nan 8.190 nan 0.000 0.432 216 c N 4.703 123.344 118.600 0.068 0.000 2.593 216 c HA 0.636 5.205 4.570 -0.001 0.000 0.409 216 c C 1.613 175.748 174.090 0.075 0.000 1.304 216 c CA 1.275 57.650 56.329 0.076 0.000 2.007 216 c CB -0.507 42.040 42.510 0.062 0.000 2.614 216 c HN 1.834 nan 8.230 nan 0.000 0.585 217 G N 5.466 114.317 108.800 0.084 0.000 2.175 217 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.244 217 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.244 217 G C 0.406 175.369 174.900 0.105 0.000 0.982 217 G CA 0.454 45.604 45.100 0.083 0.000 0.641 217 G HN 1.140 nan 8.290 nan 0.000 0.527 218 N N 1.063 119.839 118.700 0.126 0.000 2.313 218 N HA 0.151 4.891 4.740 -0.001 0.000 0.207 218 N C 0.680 176.327 175.510 0.228 0.000 1.141 218 N CA 0.675 53.822 53.050 0.161 0.000 0.830 218 N CB -0.282 38.297 38.487 0.152 0.000 1.008 218 N HN 0.662 nan 8.380 nan 0.000 0.481 219 E N -0.181 120.131 120.200 0.187 0.000 2.539 219 E HA -0.194 4.155 4.350 -0.001 0.000 0.253 219 E C -0.772 175.916 176.600 0.147 0.000 1.145 219 E CA 0.593 57.091 56.400 0.163 0.000 0.738 219 E CB -1.457 28.387 29.700 0.239 0.000 1.308 219 E HN 0.589 nan 8.360 nan 0.000 0.409 220 I N 0.608 121.304 120.570 0.211 0.000 2.521 220 I HA 0.153 4.322 4.170 -0.001 0.000 0.277 220 I C 0.024 176.304 176.117 0.271 0.000 1.054 220 I CA -0.880 60.580 61.300 0.265 0.000 1.117 220 I CB 0.549 38.708 38.000 0.265 0.000 1.217 220 I HN 0.072 nan 8.210 nan 0.000 0.469 221 W N 7.429 128.756 121.300 0.045 0.000 2.712 221 W HA 0.147 4.806 4.660 -0.001 0.000 0.345 221 W C -0.023 176.500 176.519 0.006 0.000 1.424 221 W CA 0.030 57.384 57.345 0.014 0.000 1.375 221 W CB 0.039 29.494 29.460 -0.010 0.000 1.483 221 W HN 0.478 nan 8.180 nan 0.000 0.561 222 E N 2.464 122.726 120.200 0.104 0.000 2.299 222 E HA 0.138 4.488 4.350 -0.001 0.000 0.260 222 E C -0.904 175.595 176.600 -0.169 0.000 0.944 222 E CA -1.139 55.211 56.400 -0.083 0.000 0.815 222 E CB 1.295 30.995 29.700 0.001 0.000 1.252 222 E HN 0.342 nan 8.360 nan 0.000 0.418 223 E N -0.013 120.082 120.200 -0.176 0.000 2.415 223 E HA 0.087 4.437 4.350 -0.001 0.000 0.263 223 E C 0.440 177.007 176.600 -0.056 0.000 0.995 223 E CA 1.045 57.355 56.400 -0.150 0.000 0.915 223 E CB 0.093 29.718 29.700 -0.126 0.000 0.951 223 E HN 0.717 nan 8.360 nan 0.000 0.449 224 G N 3.935 112.723 108.800 -0.020 0.000 2.258 224 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.233 224 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.233 224 G C -0.086 174.860 174.900 0.077 0.000 1.006 224 G CA 0.163 45.278 45.100 0.024 0.000 0.620 224 G HN 0.594 nan 8.290 nan 0.000 0.511 225 E N 0.327 120.605 120.200 0.129 0.000 2.249 225 E HA 0.460 4.809 4.350 -0.001 0.000 0.280 225 E C 0.813 177.610 176.600 0.328 0.000 1.016 225 E CA -0.256 56.270 56.400 0.210 0.000 0.830 225 E CB 1.708 31.569 29.700 0.267 0.000 1.081 225 E HN 0.387 nan 8.360 nan 0.000 0.395 226 E N 1.294 121.618 120.200 0.207 0.000 2.158 226 E HA -0.069 4.280 4.350 -0.001 0.000 0.191 226 E C 0.180 176.816 176.600 0.060 0.000 0.982 226 E CA 0.735 57.238 56.400 0.172 0.000 0.823 226 E CB 0.244 29.988 29.700 0.074 0.000 0.766 226 E HN 0.670 nan 8.360 nan 0.000 0.468 227 c N -2.198 116.388 118.600 -0.024 0.000 3.233 227 c HA 0.576 5.146 4.570 -0.001 0.000 0.358 227 c C -1.819 172.214 174.090 -0.094 0.000 1.461 227 c CA -1.170 54.974 56.329 -0.309 0.000 1.180 227 c CB 1.432 43.772 42.510 -0.284 0.000 1.604 227 c HN 0.127 nan 8.230 nan 0.000 0.437 228 D N -0.191 120.139 120.400 -0.116 0.000 2.251 228 D HA 0.247 4.887 4.640 -0.001 0.000 0.210 228 D C 0.055 176.357 176.300 0.003 0.000 1.304 228 D CA 0.139 54.144 54.000 0.007 0.000 0.912 228 D CB 0.932 41.797 40.800 0.108 0.000 1.553 228 D HN 1.235 nan 8.370 nan 0.000 0.526 229 c N 2.313 120.915 118.600 0.004 0.000 2.688 229 c HA 0.816 5.385 4.570 -0.001 0.000 0.297 229 c C 1.340 175.459 174.090 0.048 0.000 1.308 229 c CA 0.469 56.808 56.329 0.015 0.000 1.726 229 c CB -1.054 41.454 42.510 -0.003 0.000 1.982 229 c HN 0.799 nan 8.230 nan 0.000 0.604 230 G N 1.900 110.740 108.800 0.066 0.000 2.499 230 G HA2 -0.014 3.945 3.960 -0.001 0.000 0.232 230 G HA3 -0.014 3.945 3.960 -0.001 0.000 0.232 230 G C -0.111 174.828 174.900 0.065 0.000 1.251 230 G CA 0.075 45.225 45.100 0.084 0.000 0.917 230 G HN 1.610 nan 8.290 nan 0.000 0.580 231 S N 0.713 116.452 115.700 0.063 0.000 2.601 231 S HA 0.612 5.081 4.470 -0.001 0.000 0.271 231 S C -1.205 173.419 174.600 0.040 0.000 1.305 231 S CA -0.249 57.981 58.200 0.050 0.000 1.022 231 S CB 2.015 65.245 63.200 0.051 0.000 0.940 231 S HN 0.476 nan 8.310 nan 0.000 0.525 232 P HA -0.045 nan 4.420 nan 0.000 0.221 232 P C 1.428 178.743 177.300 0.025 0.000 1.145 232 P CA 1.560 64.674 63.100 0.025 0.000 0.795 232 P CB -0.163 31.549 31.700 0.021 0.000 0.775 233 A N 0.934 123.772 122.820 0.030 0.000 1.835 233 A HA -0.176 4.143 4.320 -0.001 0.000 0.215 233 A C 1.237 178.841 177.584 0.033 0.000 1.199 233 A CA 2.011 54.066 52.037 0.030 0.000 0.615 233 A CB -1.515 17.505 19.000 0.034 0.000 0.838 233 A HN 0.343 nan 8.150 nan 0.000 0.444 234 N N -1.396 117.328 118.700 0.041 0.000 2.839 234 N HA 0.325 5.064 4.740 -0.001 0.000 0.314 234 N C -0.694 174.842 175.510 0.044 0.000 1.449 234 N CA -0.171 52.906 53.050 0.045 0.000 1.050 234 N CB 0.107 38.627 38.487 0.056 0.000 1.364 234 N HN 0.345 nan 8.380 nan 0.000 0.512 235 c N 1.049 119.669 118.600 0.033 0.000 2.322 235 c HA 0.461 5.030 4.570 -0.001 0.000 0.324 235 c C -0.128 173.973 174.090 0.017 0.000 1.284 235 c CA -0.367 55.978 56.329 0.027 0.000 1.606 235 c CB 0.487 43.011 42.510 0.022 0.000 2.251 235 c HN 0.562 nan 8.230 nan 0.000 0.502 236 Q N 3.012 122.821 119.800 0.015 0.000 2.141 236 Q HA 0.319 4.658 4.340 -0.001 0.000 0.248 236 Q C -0.075 175.922 176.000 -0.004 0.000 0.834 236 Q CA 0.086 55.893 55.803 0.007 0.000 1.096 236 Q CB 0.034 28.779 28.738 0.012 0.000 1.189 236 Q HN 0.712 nan 8.270 nan 0.000 0.471 237 N N 1.358 120.052 118.700 -0.010 0.000 2.558 237 N HA 0.159 4.898 4.740 -0.001 0.000 0.233 237 N C -2.043 173.448 175.510 -0.032 0.000 1.038 237 N CA -1.745 51.289 53.050 -0.027 0.000 0.934 237 N CB 1.267 39.731 38.487 -0.038 0.000 1.175 237 N HN -0.023 nan 8.380 nan 0.000 0.512 238 P HA -0.062 nan 4.420 nan 0.000 0.224 238 P C 0.344 177.619 177.300 -0.042 0.000 1.142 238 P CA 0.926 64.004 63.100 -0.036 0.000 0.778 238 P CB 0.049 31.724 31.700 -0.041 0.000 0.764 239 c N -5.027 113.542 118.600 -0.052 0.000 2.994 239 c HA 0.663 5.232 4.570 -0.001 0.000 0.250 239 c C 0.076 174.129 174.090 -0.062 0.000 1.814 239 c CA -1.332 54.964 56.329 -0.056 0.000 1.730 239 c CB -1.611 40.860 42.510 -0.066 0.000 3.258 239 c HN 0.240 nan 8.230 nan 0.000 0.472 240 c N 1.181 119.750 118.600 -0.052 0.000 2.880 240 c HA 0.656 5.225 4.570 -0.001 0.000 0.320 240 c C -1.020 173.052 174.090 -0.029 0.000 1.176 240 c CA 0.000 56.298 56.329 -0.052 0.000 1.390 240 c CB 1.132 43.597 42.510 -0.075 0.000 1.846 240 c HN 0.676 nan 8.230 nan 0.000 0.478 241 D N 3.004 123.392 120.400 -0.019 0.000 2.352 241 D HA 0.448 5.087 4.640 -0.001 0.000 0.245 241 D C 1.111 177.412 176.300 0.001 0.000 1.224 241 D CA 0.556 54.553 54.000 -0.006 0.000 0.879 241 D CB 1.395 42.195 40.800 -0.000 0.000 1.057 241 D HN 0.734 nan 8.370 nan 0.000 0.491 242 A N 3.608 126.430 122.820 0.004 0.000 2.148 242 A HA -0.083 4.236 4.320 -0.001 0.000 0.222 242 A C 1.824 179.420 177.584 0.020 0.000 1.161 242 A CA 2.057 54.101 52.037 0.013 0.000 0.662 242 A CB -0.325 18.683 19.000 0.014 0.000 0.799 242 A HN 0.626 nan 8.150 nan 0.000 0.466 243 A N -1.255 121.575 122.820 0.017 0.000 2.010 243 A HA 0.187 4.506 4.320 -0.001 0.000 0.210 243 A C 2.128 179.727 177.584 0.024 0.000 1.479 243 A CA 1.459 53.508 52.037 0.021 0.000 0.748 243 A CB -0.850 18.160 19.000 0.017 0.000 1.125 243 A HN 0.758 nan 8.150 nan 0.000 0.522 244 T N -3.903 110.663 114.554 0.020 0.000 3.215 244 T HA 0.083 4.432 4.350 -0.001 0.000 0.254 244 T C 0.525 175.242 174.700 0.029 0.000 1.149 244 T CA 0.476 62.590 62.100 0.024 0.000 1.042 244 T CB -1.458 67.422 68.868 0.019 0.000 0.966 244 T HN 0.752 nan 8.240 nan 0.000 0.534 245 c N 2.157 120.773 118.600 0.027 0.000 3.899 245 c HA -0.092 4.478 4.570 -0.001 0.000 0.297 245 c C 0.237 174.342 174.090 0.026 0.000 1.371 245 c CA 0.397 56.744 56.329 0.030 0.000 2.088 245 c CB -2.115 40.429 42.510 0.058 0.000 1.346 245 c HN 0.563 nan 8.230 nan 0.000 0.658 246 K N -0.128 120.279 120.400 0.011 0.000 2.328 246 K HA 0.690 5.009 4.320 -0.001 0.000 0.246 246 K C -0.039 176.554 176.600 -0.012 0.000 0.955 246 K CA -0.668 55.624 56.287 0.008 0.000 0.817 246 K CB 1.176 33.684 32.500 0.012 0.000 1.208 246 K HN 0.312 nan 8.250 nan 0.000 0.432 247 L N 2.601 123.814 121.223 -0.016 0.000 2.416 247 L HA 0.131 4.470 4.340 -0.001 0.000 0.272 247 L C 1.274 178.131 176.870 -0.022 0.000 1.161 247 L CA -0.028 54.793 54.840 -0.031 0.000 0.845 247 L CB 0.219 42.260 42.059 -0.029 0.000 1.119 247 L HN 0.295 nan 8.230 nan 0.000 0.464 248 K N 3.498 123.880 120.400 -0.029 0.000 2.284 248 K HA 0.127 4.446 4.320 -0.001 0.000 0.243 248 K C -1.261 175.328 176.600 -0.019 0.000 1.075 248 K CA -1.036 55.238 56.287 -0.022 0.000 0.868 248 K CB -0.164 32.320 32.500 -0.027 0.000 1.157 248 K HN 0.408 nan 8.250 nan 0.000 0.512 249 P HA -0.206 nan 4.420 nan 0.000 0.207 249 P C 0.594 177.885 177.300 -0.014 0.000 0.954 249 P CA 1.544 64.636 63.100 -0.013 0.000 0.990 249 P CB -0.314 31.378 31.700 -0.013 0.000 0.721 250 G N -0.371 108.418 108.800 -0.018 0.000 3.727 250 G HA2 0.526 4.485 3.960 -0.001 0.000 0.301 250 G HA3 0.526 4.485 3.960 -0.001 0.000 0.301 250 G C -0.527 174.358 174.900 -0.025 0.000 1.128 250 G CA 0.252 45.341 45.100 -0.018 0.000 1.545 250 G HN 0.589 nan 8.290 nan 0.000 0.555 251 A N 1.108 123.912 122.820 -0.026 0.000 2.422 251 A HA 0.687 5.006 4.320 -0.001 0.000 0.302 251 A C 0.479 178.046 177.584 -0.029 0.000 1.041 251 A CA -0.628 51.388 52.037 -0.035 0.000 0.708 251 A CB 1.386 20.356 19.000 -0.050 0.000 1.257 251 A HN 0.371 nan 8.150 nan 0.000 0.414 252 E N 0.037 120.222 120.200 -0.025 0.000 2.250 252 E HA 0.079 4.428 4.350 -0.001 0.000 0.192 252 E C 0.364 176.948 176.600 -0.026 0.000 0.986 252 E CA 1.075 57.468 56.400 -0.011 0.000 0.849 252 E CB 0.146 29.849 29.700 0.004 0.000 0.797 252 E HN 0.830 nan 8.360 nan 0.000 0.482 253 c N -3.234 115.327 118.600 -0.066 0.000 3.291 253 c HA 0.809 5.379 4.570 -0.001 0.000 0.316 253 c C 1.110 175.087 174.090 -0.190 0.000 1.391 253 c CA -0.438 55.806 56.329 -0.142 0.000 1.394 253 c CB 1.159 43.591 42.510 -0.129 0.000 1.744 253 c HN 0.209 nan 8.230 nan 0.000 0.461 254 G N 0.518 109.124 108.800 -0.322 0.000 2.759 254 G HA2 0.405 4.365 3.960 -0.001 0.000 0.197 254 G HA3 0.405 4.365 3.960 -0.001 0.000 0.197 254 G C -0.147 174.572 174.900 -0.302 0.000 1.067 254 G CA 0.398 45.331 45.100 -0.278 0.000 0.742 254 G HN 1.019 nan 8.290 nan 0.000 0.651 255 N N -0.871 117.526 118.700 -0.505 0.000 2.357 255 N HA 0.667 5.406 4.740 -0.001 0.000 0.284 255 N C -0.390 174.906 175.510 -0.356 0.000 1.236 255 N CA -0.268 52.559 53.050 -0.371 0.000 0.774 255 N CB 1.870 40.166 38.487 -0.319 0.000 1.534 255 N HN 0.691 nan 8.380 nan 0.000 0.478 256 G N -0.786 107.968 108.800 -0.077 0.000 2.326 256 G HA2 0.047 4.006 3.960 -0.001 0.000 0.478 256 G HA3 0.047 4.006 3.960 -0.001 0.000 0.478 256 G C -0.226 174.706 174.900 0.054 0.000 1.551 256 G CA -0.842 44.302 45.100 0.074 0.000 0.946 256 G HN 0.535 nan 8.290 nan 0.000 0.671 257 L N -0.329 120.934 121.223 0.066 0.000 2.362 257 L HA 0.016 4.356 4.340 -0.001 0.000 0.219 257 L C 1.696 178.591 176.870 0.042 0.000 1.134 257 L CA 0.939 55.804 54.840 0.042 0.000 0.807 257 L CB -0.012 42.061 42.059 0.024 0.000 0.927 257 L HN 0.557 nan 8.230 nan 0.000 0.447 258 c N -0.471 118.166 118.600 0.061 0.000 2.306 258 c HA 0.317 4.887 4.570 -0.001 0.000 0.341 258 c C 0.553 174.684 174.090 0.067 0.000 1.381 258 c CA -0.981 55.385 56.329 0.061 0.000 1.784 258 c CB -1.185 41.367 42.510 0.070 0.000 2.555 258 c HN 0.505 nan 8.230 nan 0.000 0.565 259 c N 1.311 119.952 118.600 0.068 0.000 2.481 259 c HA 0.682 5.252 4.570 -0.001 0.000 0.324 259 c C -1.167 173.008 174.090 0.142 0.000 1.170 259 c CA -0.549 55.817 56.329 0.062 0.000 1.361 259 c CB 0.341 42.843 42.510 -0.015 0.000 1.977 259 c HN 0.711 nan 8.230 nan 0.000 0.459 260 Y N 5.466 125.754 120.300 -0.019 0.000 2.421 260 Y HA 0.391 4.940 4.550 -0.001 0.000 0.339 260 Y C 0.505 176.395 175.900 -0.017 0.000 0.996 260 Y CA -0.388 57.703 58.100 -0.015 0.000 1.046 260 Y CB 1.231 39.687 38.460 -0.007 0.000 1.226 260 Y HN 0.804 nan 8.280 nan 0.000 0.445 261 Q N 3.585 123.059 119.800 -0.544 0.000 2.439 261 Q HA -0.308 4.031 4.340 -0.001 0.000 0.247 261 Q C 0.521 176.400 176.000 -0.203 0.000 0.899 261 Q CA 1.460 56.991 55.803 -0.453 0.000 1.201 261 Q CB -2.274 26.139 28.738 -0.541 0.000 1.608 261 Q HN 1.004 nan 8.270 nan 0.000 0.563 262 c N -1.540 116.983 118.600 -0.130 0.000 4.601 262 c HA -0.164 4.405 4.570 -0.001 0.000 0.269 262 c C 0.441 174.499 174.090 -0.054 0.000 1.241 262 c CA 1.161 57.439 56.329 -0.085 0.000 1.867 262 c CB -1.670 40.788 42.510 -0.087 0.000 1.404 262 c HN 0.430 nan 8.230 nan 0.000 0.721 263 K N 0.508 120.891 120.400 -0.027 0.000 2.378 263 K HA 0.653 4.972 4.320 -0.001 0.000 0.252 263 K C 0.046 176.670 176.600 0.041 0.000 0.931 263 K CA -0.797 55.493 56.287 0.005 0.000 0.794 263 K CB 1.356 33.861 32.500 0.009 0.000 1.181 263 K HN 0.073 nan 8.250 nan 0.000 0.425 264 I N 3.165 123.757 120.570 0.037 0.000 2.741 264 I HA -0.049 4.120 4.170 -0.001 0.000 0.288 264 I C 0.739 176.894 176.117 0.063 0.000 1.192 264 I CA 0.389 61.720 61.300 0.051 0.000 1.426 264 I CB -0.517 37.513 38.000 0.049 0.000 1.367 264 I HN 0.461 nan 8.210 nan 0.000 0.563 265 K N 4.272 124.714 120.400 0.071 0.000 2.380 265 K HA 0.109 4.428 4.320 -0.001 0.000 0.267 265 K C 0.736 177.365 176.600 0.050 0.000 0.990 265 K CA -0.204 56.121 56.287 0.064 0.000 0.946 265 K CB 0.473 33.002 32.500 0.049 0.000 0.937 265 K HN 0.755 nan 8.250 nan 0.000 0.491 266 T N -1.037 113.542 114.554 0.042 0.000 2.860 266 T HA 0.333 4.683 4.350 -0.001 0.000 0.299 266 T C 0.426 175.147 174.700 0.035 0.000 1.045 266 T CA -0.970 61.151 62.100 0.035 0.000 1.071 266 T CB 1.037 69.921 68.868 0.028 0.000 0.985 266 T HN 0.569 nan 8.240 nan 0.000 0.537 267 A N 0.674 123.512 122.820 0.029 0.000 2.448 267 A HA 0.547 4.866 4.320 -0.001 0.000 0.239 267 A C 1.747 179.346 177.584 0.025 0.000 1.080 267 A CA 0.141 52.195 52.037 0.029 0.000 0.779 267 A CB -1.221 17.790 19.000 0.017 0.000 1.026 267 A HN 2.370 nan 8.150 nan 0.000 0.499 268 G N 0.123 108.939 108.800 0.027 0.000 2.234 268 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.260 268 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.260 268 G C 0.491 175.442 174.900 0.084 0.000 0.987 268 G CA 0.775 45.878 45.100 0.005 0.000 0.625 268 G HN 1.282 nan 8.290 nan 0.000 0.532 269 T N 1.398 116.008 114.554 0.093 0.000 2.761 269 T HA 0.446 4.796 4.350 -0.001 0.000 0.296 269 T C 0.579 175.343 174.700 0.107 0.000 0.934 269 T CA 0.308 62.461 62.100 0.089 0.000 1.091 269 T CB 2.080 70.968 68.868 0.033 0.000 0.896 269 T HN 0.932 nan 8.240 nan 0.000 0.515 270 V N 5.125 125.089 119.914 0.083 0.000 2.557 270 V HA -0.008 4.111 4.120 -0.001 0.000 0.301 270 V C 1.288 177.319 176.094 -0.105 0.000 1.026 270 V CA 0.338 62.558 62.300 -0.134 0.000 1.137 270 V CB -0.540 31.171 31.823 -0.186 0.000 0.917 270 V HN 1.223 nan 8.190 nan 0.000 0.484 271 c N 4.953 123.482 118.600 -0.118 0.000 3.019 271 c HA 0.518 5.087 4.570 -0.001 0.000 0.295 271 c C 0.900 174.944 174.090 -0.076 0.000 1.256 271 c CA -0.293 55.997 56.329 -0.065 0.000 1.706 271 c CB -0.918 41.581 42.510 -0.020 0.000 2.153 271 c HN 0.884 nan 8.230 nan 0.000 0.618 272 R N 1.252 121.679 120.500 -0.122 0.000 2.772 272 R HA 0.379 4.719 4.340 -0.001 0.000 0.288 272 R C -0.568 175.650 176.300 -0.137 0.000 1.365 272 R CA -0.317 55.723 56.100 -0.101 0.000 1.023 272 R CB 0.734 30.991 30.300 -0.072 0.000 1.261 272 R HN 0.447 nan 8.270 nan 0.000 0.422 273 R N 1.345 121.774 120.500 -0.118 0.000 2.995 273 R HA 0.294 4.633 4.340 -0.001 0.000 0.287 273 R C 0.020 176.265 176.300 -0.091 0.000 1.168 273 R CA 0.239 56.271 56.100 -0.114 0.000 1.183 273 R CB 0.319 30.567 30.300 -0.087 0.000 1.157 273 R HN 0.528 nan 8.270 nan 0.000 0.577 274 A N 1.020 123.796 122.820 -0.075 0.000 2.276 274 A HA 0.217 4.537 4.320 -0.001 0.000 0.300 274 A C 0.725 178.273 177.584 -0.060 0.000 1.235 274 A CA -0.689 51.312 52.037 -0.060 0.000 0.867 274 A CB 0.647 19.620 19.000 -0.045 0.000 1.137 274 A HN 0.591 nan 8.150 nan 0.000 0.527 275 R N 1.769 122.231 120.500 -0.063 0.000 2.061 275 R HA -0.052 4.288 4.340 -0.001 0.000 0.230 275 R C 0.052 176.315 176.300 -0.061 0.000 1.140 275 R CA 1.943 58.000 56.100 -0.072 0.000 0.940 275 R CB -0.802 29.449 30.300 -0.082 0.000 0.839 275 R HN 0.929 nan 8.270 nan 0.000 0.429 276 D N -1.401 118.969 120.400 -0.051 0.000 2.689 276 D HA 0.057 4.696 4.640 -0.001 0.000 0.255 276 D C 0.596 176.876 176.300 -0.034 0.000 1.113 276 D CA -0.635 53.340 54.000 -0.041 0.000 1.115 276 D CB 0.173 40.951 40.800 -0.036 0.000 1.334 276 D HN 0.103 nan 8.370 nan 0.000 0.621 277 E N -1.141 119.042 120.200 -0.028 0.000 2.418 277 E HA -0.047 4.303 4.350 -0.001 0.000 0.197 277 E C 0.352 176.940 176.600 -0.021 0.000 1.026 277 E CA 0.362 56.748 56.400 -0.024 0.000 0.862 277 E CB -0.338 29.348 29.700 -0.023 0.000 0.799 277 E HN 0.283 nan 8.360 nan 0.000 0.518 278 c N 1.757 120.344 118.600 -0.021 0.000 2.435 278 c HA 0.293 4.862 4.570 -0.001 0.000 0.326 278 c C -0.039 174.032 174.090 -0.031 0.000 1.328 278 c CA -0.642 55.675 56.329 -0.021 0.000 1.741 278 c CB -1.725 40.778 42.510 -0.011 0.000 1.998 278 c HN 0.342 nan 8.230 nan 0.000 0.585 279 D N -0.442 119.939 120.400 -0.032 0.000 2.671 279 D HA 0.528 5.167 4.640 -0.001 0.000 0.232 279 D C -1.151 175.131 176.300 -0.031 0.000 1.114 279 D CA -0.153 53.825 54.000 -0.037 0.000 0.858 279 D CB 2.110 42.884 40.800 -0.043 0.000 1.544 279 D HN -0.075 nan 8.370 nan 0.000 0.471 280 V N 4.485 124.381 119.914 -0.030 0.000 2.448 280 V HA 0.488 4.608 4.120 -0.001 0.000 0.295 280 V C -1.970 174.105 176.094 -0.031 0.000 1.025 280 V CA -1.515 60.774 62.300 -0.019 0.000 0.859 280 V CB 1.877 33.695 31.823 -0.008 0.000 0.988 280 V HN 0.518 nan 8.190 nan 0.000 0.431 281 P HA 0.277 nan 4.420 nan 0.000 0.272 281 P C -0.913 176.314 177.300 -0.121 0.000 1.240 281 P CA -0.277 62.754 63.100 -0.116 0.000 0.791 281 P CB 1.277 32.880 31.700 -0.162 0.000 0.978 282 E N 0.216 120.284 120.200 -0.221 0.000 2.248 282 E HA 0.470 4.819 4.350 -0.001 0.000 0.267 282 E C -0.896 175.539 176.600 -0.275 0.000 0.877 282 E CA -0.415 55.912 56.400 -0.121 0.000 0.759 282 E CB 1.114 30.782 29.700 -0.053 0.000 1.182 282 E HN 0.488 nan 8.360 nan 0.000 0.418 283 H N -0.571 118.494 119.070 -0.008 0.000 2.621 283 H HA 0.487 5.042 4.556 -0.001 0.000 0.360 283 H C -0.548 174.780 175.328 -0.000 0.000 1.163 283 H CA -0.870 55.174 56.048 -0.007 0.000 1.194 283 H CB 0.849 30.606 29.762 -0.008 0.000 1.649 283 H HN 0.450 nan 8.280 nan 0.000 0.532 284 c N 1.606 120.279 118.600 0.122 0.000 2.662 284 c HA 0.064 4.633 4.570 -0.001 0.000 0.420 284 c C 2.123 176.254 174.090 0.069 0.000 1.314 284 c CA 0.349 56.724 56.329 0.077 0.000 1.963 284 c CB 0.052 42.599 42.510 0.061 0.000 2.686 284 c HN 1.029 nan 8.230 nan 0.000 0.609 285 T N -0.760 113.826 114.554 0.053 0.000 3.023 285 T HA 0.213 4.563 4.350 -0.001 0.000 0.266 285 T C 1.572 176.293 174.700 0.035 0.000 1.093 285 T CA 1.167 63.290 62.100 0.038 0.000 1.129 285 T CB -0.198 68.689 68.868 0.031 0.000 0.899 285 T HN 1.688 nan 8.240 nan 0.000 0.491 286 G N 0.895 109.720 108.800 0.042 0.000 2.199 286 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.254 286 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.254 286 G C 0.979 175.903 174.900 0.040 0.000 0.982 286 G CA 0.384 45.508 45.100 0.040 0.000 0.632 286 G HN 0.515 nan 8.290 nan 0.000 0.529 287 Q N -0.206 119.618 119.800 0.041 0.000 2.396 287 Q HA 0.377 4.716 4.340 -0.001 0.000 0.209 287 Q C 1.059 177.093 176.000 0.057 0.000 0.906 287 Q CA 1.192 57.019 55.803 0.041 0.000 0.927 287 Q CB 1.008 29.764 28.738 0.030 0.000 1.069 287 Q HN 0.638 nan 8.270 nan 0.000 0.523 288 S N -1.460 114.282 115.700 0.071 0.000 2.579 288 S HA 0.636 5.105 4.470 -0.001 0.000 0.272 288 S C -0.306 174.376 174.600 0.137 0.000 1.141 288 S CA -0.002 58.265 58.200 0.112 0.000 0.843 288 S CB 1.555 64.813 63.200 0.096 0.000 1.122 288 S HN 0.058 nan 8.310 nan 0.000 0.468 289 A N 1.451 124.397 122.820 0.210 0.000 2.169 289 A HA 0.253 4.573 4.320 -0.001 0.000 0.212 289 A C 0.712 178.445 177.584 0.249 0.000 1.153 289 A CA 0.394 52.539 52.037 0.181 0.000 0.756 289 A CB -0.373 18.686 19.000 0.099 0.000 0.813 289 A HN 0.776 nan 8.150 nan 0.000 0.471 290 E N 0.284 120.679 120.200 0.326 0.000 2.223 290 E HA 0.270 4.619 4.350 -0.001 0.000 0.282 290 E C -0.583 176.076 176.600 0.099 0.000 1.046 290 E CA -0.673 55.872 56.400 0.242 0.000 0.857 290 E CB 0.455 30.193 29.700 0.065 0.000 1.055 290 E HN 0.367 nan 8.360 nan 0.000 0.409 291 c N 7.461 126.105 118.600 0.073 0.000 2.657 291 c HA 0.237 4.807 4.570 -0.001 0.000 0.420 291 c C -1.797 172.299 174.090 0.010 0.000 1.323 291 c CA -1.572 54.777 56.329 0.033 0.000 1.894 291 c CB -0.302 42.217 42.510 0.015 0.000 2.681 291 c HN 0.672 nan 8.230 nan 0.000 0.613 292 P HA -0.008 nan 4.420 nan 0.000 0.270 292 P C -0.418 176.873 177.300 -0.015 0.000 1.221 292 P CA -0.046 63.053 63.100 -0.001 0.000 0.788 292 P CB 0.291 31.999 31.700 0.014 0.000 0.904 293 R N 1.702 122.189 120.500 -0.021 0.000 2.523 293 R HA -0.094 4.245 4.340 -0.001 0.000 0.281 293 R C 0.056 176.342 176.300 -0.023 0.000 0.969 293 R CA 0.343 56.427 56.100 -0.027 0.000 1.093 293 R CB -0.241 30.044 30.300 -0.025 0.000 0.917 293 R HN 0.454 nan 8.270 nan 0.000 0.408 294 D N 3.595 123.979 120.400 -0.027 0.000 2.383 294 D HA 0.042 4.682 4.640 -0.001 0.000 0.252 294 D C -0.856 175.428 176.300 -0.027 0.000 1.166 294 D CA 0.467 54.451 54.000 -0.027 0.000 0.879 294 D CB 0.758 41.543 40.800 -0.025 0.000 1.164 294 D HN 0.441 nan 8.370 nan 0.000 0.462 295 Q N 2.464 122.247 119.800 -0.027 0.000 2.365 295 Q HA 0.526 4.866 4.340 -0.001 0.000 0.269 295 Q C -0.434 175.545 176.000 -0.035 0.000 1.061 295 Q CA -0.852 54.934 55.803 -0.030 0.000 0.816 295 Q CB 2.260 30.986 28.738 -0.020 0.000 1.325 295 Q HN 0.437 nan 8.270 nan 0.000 0.446 296 L N 0.582 121.777 121.223 -0.046 0.000 2.397 296 L HA 0.424 4.763 4.340 -0.001 0.000 0.266 296 L C 0.120 176.961 176.870 -0.049 0.000 1.040 296 L CA -1.054 53.755 54.840 -0.052 0.000 0.800 296 L CB 0.607 42.624 42.059 -0.070 0.000 1.324 296 L HN 0.518 nan 8.230 nan 0.000 0.469 297 Q N 0.612 120.384 119.800 -0.046 0.000 2.492 297 Q HA 0.005 4.345 4.340 -0.001 0.000 0.238 297 Q C -0.538 175.428 176.000 -0.057 0.000 1.045 297 Q CA 0.029 55.809 55.803 -0.038 0.000 0.934 297 Q CB 0.563 29.284 28.738 -0.027 0.000 1.276 297 Q HN 0.365 nan 8.270 nan 0.000 0.521 298 Q N 1.791 121.565 119.800 -0.043 0.000 2.289 298 Q HA 0.058 4.397 4.340 -0.001 0.000 0.273 298 Q C -0.846 175.093 176.000 -0.102 0.000 1.029 298 Q CA 0.760 56.528 55.803 -0.059 0.000 0.896 298 Q CB 0.086 28.813 28.738 -0.019 0.000 1.182 298 Q HN 0.682 nan 8.270 nan 0.000 0.385 299 N N 2.546 121.107 118.700 -0.232 0.000 2.407 299 N HA 0.173 4.912 4.740 -0.001 0.000 0.250 299 N C 0.619 175.960 175.510 -0.280 0.000 1.236 299 N CA 0.795 53.555 53.050 -0.484 0.000 0.879 299 N CB 0.292 38.081 38.487 -1.163 0.000 1.088 299 N HN 0.912 nan 8.380 nan 0.000 0.450 300 G N 1.037 109.821 108.800 -0.026 0.000 2.345 300 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.218 300 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.218 300 G C 0.223 175.324 174.900 0.335 0.000 1.058 300 G CA 0.005 45.294 45.100 0.315 0.000 0.632 300 G HN 0.603 nan 8.290 nan 0.000 0.508 301 K N 3.307 123.808 120.400 0.168 0.000 2.473 301 K HA 0.356 4.676 4.320 -0.001 0.000 0.277 301 K C -2.066 174.600 176.600 0.110 0.000 1.052 301 K CA -0.940 55.422 56.287 0.124 0.000 1.114 301 K CB 0.146 32.676 32.500 0.050 0.000 0.869 301 K HN 0.251 nan 8.250 nan 0.000 0.481 302 P HA -0.026 nan 4.420 nan 0.000 0.266 302 P C -0.868 176.367 177.300 -0.108 0.000 1.193 302 P CA -0.238 62.768 63.100 -0.156 0.000 0.770 302 P CB 0.362 31.972 31.700 -0.150 0.000 0.836 303 c N 0.060 118.567 118.600 -0.155 0.000 3.170 303 c HA 0.521 5.090 4.570 -0.001 0.000 0.319 303 c C -0.711 173.323 174.090 -0.093 0.000 1.260 303 c CA -0.716 55.562 56.329 -0.085 0.000 1.374 303 c CB 1.450 43.937 42.510 -0.037 0.000 1.739 303 c HN 0.571 nan 8.230 nan 0.000 0.479 304 Q N 1.450 121.213 119.800 -0.062 0.000 2.481 304 Q HA -0.166 4.173 4.340 -0.001 0.000 0.283 304 Q C -0.070 175.892 176.000 -0.064 0.000 1.292 304 Q CA 1.245 57.016 55.803 -0.053 0.000 0.819 304 Q CB -1.752 26.958 28.738 -0.045 0.000 1.202 304 Q HN 1.109 nan 8.270 nan 0.000 0.446 305 N N 0.107 118.768 118.700 -0.066 0.000 2.708 305 N HA -0.213 4.526 4.740 -0.001 0.000 0.255 305 N C -0.343 175.114 175.510 -0.089 0.000 1.046 305 N CA 1.194 54.206 53.050 -0.064 0.000 0.715 305 N CB -1.240 37.220 38.487 -0.046 0.000 0.895 305 N HN 0.637 nan 8.380 nan 0.000 0.545 306 N N -1.100 117.518 118.700 -0.135 0.000 2.710 306 N HA -0.231 4.509 4.740 -0.001 0.000 0.249 306 N C 0.546 175.944 175.510 -0.187 0.000 1.059 306 N CA 0.812 53.738 53.050 -0.207 0.000 0.720 306 N CB -0.201 38.198 38.487 -0.147 0.000 0.983 306 N HN 0.424 nan 8.380 nan 0.000 0.544 307 R N -0.606 119.805 120.500 -0.149 0.000 2.334 307 R HA 0.386 4.725 4.340 -0.001 0.000 0.216 307 R C 1.189 177.432 176.300 -0.096 0.000 0.905 307 R CA 0.847 56.892 56.100 -0.093 0.000 1.064 307 R CB 0.437 30.704 30.300 -0.054 0.000 1.046 307 R HN 0.375 nan 8.270 nan 0.000 0.508 308 G N -0.692 107.988 108.800 -0.201 0.000 2.428 308 G HA2 0.387 4.346 3.960 -0.001 0.000 0.304 308 G HA3 0.387 4.346 3.960 -0.001 0.000 0.304 308 G C -2.020 172.671 174.900 -0.348 0.000 1.303 308 G CA -0.689 44.331 45.100 -0.134 0.000 0.825 308 G HN -0.014 nan 8.290 nan 0.000 0.484 309 Y N -0.611 119.725 120.300 0.060 0.000 2.442 309 Y HA 0.513 5.062 4.550 -0.002 0.000 0.344 309 Y C 0.910 176.872 175.900 0.103 0.000 0.976 309 Y CA -0.961 57.190 58.100 0.085 0.000 1.040 309 Y CB 1.470 40.006 38.460 0.127 0.000 1.228 309 Y HN 0.684 nan 8.280 nan 0.000 0.451 310 c N 2.494 121.210 118.600 0.194 0.000 2.674 310 c HA 0.000 4.570 4.570 -0.001 0.000 0.405 310 c C -0.242 173.959 174.090 0.185 0.000 1.285 310 c CA 0.339 56.745 56.329 0.128 0.000 1.845 310 c CB -1.055 41.479 42.510 0.040 0.000 2.689 310 c HN 0.738 nan 8.230 nan 0.000 0.643 311 Y N 2.068 122.357 120.300 -0.018 0.000 2.274 311 Y HA 0.257 4.806 4.550 -0.001 0.000 0.323 311 Y C 0.299 176.176 175.900 -0.039 0.000 1.171 311 Y CA -0.944 57.135 58.100 -0.034 0.000 1.163 311 Y CB -0.184 38.319 38.460 0.072 0.000 1.183 311 Y HN 0.962 nan 8.280 nan 0.000 0.424 312 N N 4.259 122.682 118.700 -0.462 0.000 2.701 312 N HA -0.282 4.457 4.740 -0.001 0.000 0.250 312 N C 0.989 176.365 175.510 -0.224 0.000 1.046 312 N CA 1.156 53.957 53.050 -0.414 0.000 0.733 312 N CB -0.776 37.331 38.487 -0.634 0.000 0.973 312 N HN 1.286 nan 8.380 nan 0.000 0.541 313 G N -1.455 107.266 108.800 -0.132 0.000 2.284 313 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.216 313 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.216 313 G C -0.313 174.572 174.900 -0.026 0.000 1.009 313 G CA 0.316 45.374 45.100 -0.070 0.000 0.625 313 G HN 0.448 nan 8.290 nan 0.000 0.501 314 D N -0.672 119.732 120.400 0.007 0.000 2.384 314 D HA 0.577 5.216 4.640 -0.001 0.000 0.250 314 D C -0.359 176.001 176.300 0.100 0.000 1.029 314 D CA -0.072 53.961 54.000 0.055 0.000 0.990 314 D CB 1.829 42.678 40.800 0.082 0.000 1.175 314 D HN 0.208 nan 8.370 nan 0.000 0.532 315 c N 2.991 121.639 118.600 0.080 0.000 2.787 315 c HA 0.317 4.886 4.570 -0.001 0.000 0.265 315 c C -2.397 171.741 174.090 0.079 0.000 1.190 315 c CA -1.678 54.699 56.329 0.080 0.000 1.616 315 c CB -0.898 41.632 42.510 0.033 0.000 1.732 315 c HN 0.330 nan 8.230 nan 0.000 0.433 316 P HA 0.259 nan 4.420 nan 0.000 0.265 316 P C -0.795 176.542 177.300 0.063 0.000 1.193 316 P CA 0.717 63.867 63.100 0.083 0.000 0.765 316 P CB 0.769 32.521 31.700 0.086 0.000 0.823 317 I N 3.272 123.871 120.570 0.049 0.000 2.548 317 I HA 0.156 4.326 4.170 -0.001 0.000 0.287 317 I C 1.918 178.063 176.117 0.047 0.000 1.103 317 I CA -0.826 60.499 61.300 0.041 0.000 1.049 317 I CB 1.985 40.001 38.000 0.026 0.000 1.232 317 I HN 0.217 nan 8.210 nan 0.000 0.429 318 M N 3.300 122.934 119.600 0.056 0.000 2.103 318 M HA -0.261 4.218 4.480 -0.001 0.000 0.255 318 M C 2.271 178.619 176.300 0.080 0.000 1.074 318 M CA 2.193 57.541 55.300 0.079 0.000 1.090 318 M CB -0.586 32.075 32.600 0.100 0.000 1.325 318 M HN 0.641 nan 8.290 nan 0.000 0.403 319 R N 0.611 121.148 120.500 0.063 0.000 2.091 319 R HA -0.177 4.163 4.340 -0.001 0.000 0.238 319 R C 1.782 178.113 176.300 0.053 0.000 1.136 319 R CA 1.911 58.045 56.100 0.058 0.000 0.959 319 R CB -0.191 30.133 30.300 0.038 0.000 0.856 319 R HN 0.452 nan 8.270 nan 0.000 0.437 320 N N 0.658 119.382 118.700 0.040 0.000 2.142 320 N HA -0.223 4.517 4.740 -0.001 0.000 0.186 320 N C 1.717 177.246 175.510 0.032 0.000 1.023 320 N CA 1.286 54.352 53.050 0.028 0.000 0.852 320 N CB -0.361 38.137 38.487 0.018 0.000 0.998 320 N HN 0.444 nan 8.380 nan 0.000 0.424 321 Q N 0.337 120.162 119.800 0.042 0.000 2.226 321 Q HA -0.058 4.281 4.340 -0.001 0.000 0.204 321 Q C 1.791 177.826 176.000 0.059 0.000 0.975 321 Q CA 0.963 56.789 55.803 0.037 0.000 0.866 321 Q CB 0.003 28.765 28.738 0.039 0.000 0.915 321 Q HN 0.336 nan 8.270 nan 0.000 0.440 322 c N -0.268 118.394 118.600 0.103 0.000 2.457 322 c HA -0.030 4.539 4.570 -0.001 0.000 0.278 322 c C 2.387 176.589 174.090 0.187 0.000 1.309 322 c CA 0.291 56.736 56.329 0.192 0.000 1.735 322 c CB -0.679 41.929 42.510 0.164 0.000 1.992 322 c HN 0.564 nan 8.230 nan 0.000 0.493 323 I N 0.740 121.368 120.570 0.096 0.000 2.315 323 I HA -0.157 4.012 4.170 -0.001 0.000 0.248 323 I C 2.428 178.551 176.117 0.010 0.000 1.117 323 I CA 1.272 62.609 61.300 0.061 0.000 1.404 323 I CB -0.334 37.682 38.000 0.027 0.000 1.071 323 I HN 0.245 nan 8.210 nan 0.000 0.419 324 S N 0.907 116.596 115.700 -0.019 0.000 2.382 324 S HA -0.095 4.374 4.470 -0.001 0.000 0.228 324 S C 1.941 176.468 174.600 -0.121 0.000 1.027 324 S CA 1.256 59.410 58.200 -0.077 0.000 0.991 324 S CB -0.255 62.910 63.200 -0.059 0.000 0.823 324 S HN 0.355 nan 8.310 nan 0.000 0.469 325 L N -1.122 120.009 121.223 -0.154 0.000 2.127 325 L HA 0.173 4.512 4.340 -0.001 0.000 0.203 325 L C 1.234 177.746 176.870 -0.597 0.000 1.080 325 L CA 1.057 55.641 54.840 -0.427 0.000 0.768 325 L CB -0.223 41.486 42.059 -0.584 0.000 0.924 325 L HN 0.261 nan 8.230 nan 0.000 0.444 326 F N -0.407 119.544 119.950 0.001 0.000 2.688 326 F HA 0.497 5.023 4.527 -0.001 0.000 0.310 326 F C 1.084 176.885 175.800 0.002 0.000 1.098 326 F CA 0.065 58.070 58.000 0.009 0.000 1.228 326 F CB 0.525 39.531 39.000 0.009 0.000 1.042 326 F HN 0.073 nan 8.300 nan 0.000 0.557 327 G N 0.582 109.446 108.800 0.107 0.000 2.592 327 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.684 327 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.684 327 G C 0.700 175.634 174.900 0.056 0.000 1.291 327 G CA -0.324 44.814 45.100 0.063 0.000 0.891 327 G HN 0.265 nan 8.290 nan 0.000 0.544 328 S N -0.764 114.954 115.700 0.030 0.000 2.423 328 S HA -0.074 4.395 4.470 -0.001 0.000 0.231 328 S C 1.918 176.535 174.600 0.028 0.000 1.014 328 S CA 1.771 59.983 58.200 0.021 0.000 0.965 328 S CB -0.023 63.181 63.200 0.007 0.000 0.785 328 S HN 0.942 nan 8.310 nan 0.000 0.495 329 R N 2.147 122.669 120.500 0.037 0.000 2.319 329 R HA 0.477 4.816 4.340 -0.001 0.000 0.204 329 R C 0.425 176.746 176.300 0.035 0.000 0.954 329 R CA 0.384 56.502 56.100 0.031 0.000 1.066 329 R CB -0.671 29.646 30.300 0.028 0.000 0.991 329 R HN 0.537 nan 8.270 nan 0.000 0.486 330 A N -0.193 122.662 122.820 0.057 0.000 2.269 330 A HA 0.605 4.924 4.320 -0.001 0.000 0.319 330 A C -0.510 177.102 177.584 0.047 0.000 1.110 330 A CA -0.543 51.528 52.037 0.057 0.000 0.847 330 A CB 0.704 19.788 19.000 0.140 0.000 1.161 330 A HN 0.390 nan 8.150 nan 0.000 0.497 331 N N -1.093 117.627 118.700 0.033 0.000 3.046 331 N HA 0.333 5.072 4.740 -0.001 0.000 0.243 331 N C -1.006 174.537 175.510 0.055 0.000 1.452 331 N CA -0.023 53.053 53.050 0.044 0.000 0.882 331 N CB 1.660 40.165 38.487 0.030 0.000 1.425 331 N HN 0.893 nan 8.380 nan 0.000 0.517 332 V N 0.103 120.069 119.914 0.086 0.000 2.763 332 V HA 0.647 4.767 4.120 -0.001 0.000 0.306 332 V C 0.937 177.118 176.094 0.145 0.000 1.059 332 V CA -0.393 61.996 62.300 0.148 0.000 1.138 332 V CB -0.133 31.791 31.823 0.170 0.000 0.940 332 V HN 0.722 nan 8.190 nan 0.000 0.489 333 A N 3.942 126.889 122.820 0.211 0.000 2.259 333 A HA 0.495 4.814 4.320 -0.001 0.000 0.278 333 A C 0.508 178.230 177.584 0.230 0.000 1.107 333 A CA -0.607 51.529 52.037 0.165 0.000 0.828 333 A CB 0.310 19.377 19.000 0.111 0.000 1.111 333 A HN 0.915 nan 8.150 nan 0.000 0.498 334 K N -0.113 120.369 120.400 0.136 0.000 2.298 334 K HA 0.069 4.388 4.320 -0.001 0.000 0.280 334 K C 0.164 176.865 176.600 0.169 0.000 1.032 334 K CA -0.078 56.272 56.287 0.106 0.000 0.958 334 K CB 0.714 33.239 32.500 0.043 0.000 0.978 334 K HN 0.647 nan 8.250 nan 0.000 0.472 335 D N 1.456 121.918 120.400 0.103 0.000 2.339 335 D HA -0.277 4.362 4.640 -0.001 0.000 0.189 335 D C 1.553 177.945 176.300 0.154 0.000 1.022 335 D CA 1.973 56.025 54.000 0.087 0.000 0.884 335 D CB -0.185 40.597 40.800 -0.030 0.000 0.916 335 D HN 0.651 nan 8.370 nan 0.000 0.453 336 S N -0.798 114.936 115.700 0.057 0.000 2.399 336 S HA -0.309 4.160 4.470 -0.001 0.000 0.235 336 S C 2.177 176.742 174.600 -0.059 0.000 1.063 336 S CA 1.832 60.032 58.200 0.000 0.000 1.070 336 S CB -0.675 62.512 63.200 -0.021 0.000 0.904 336 S HN 0.477 nan 8.310 nan 0.000 0.456 337 c N 0.464 119.008 118.600 -0.094 0.000 2.432 337 c HA 0.005 4.574 4.570 -0.001 0.000 0.277 337 c C 2.148 175.817 174.090 -0.702 0.000 1.249 337 c CA 0.642 56.695 56.329 -0.460 0.000 1.725 337 c CB -2.040 40.138 42.510 -0.554 0.000 2.028 337 c HN 0.694 nan 8.230 nan 0.000 0.477 338 F N 1.023 120.754 119.950 -0.365 0.000 2.449 338 F HA -0.144 4.383 4.527 -0.001 0.000 0.299 338 F C 2.478 178.198 175.800 -0.134 0.000 1.092 338 F CA 1.038 58.941 58.000 -0.161 0.000 1.446 338 F CB -0.774 38.235 39.000 0.015 0.000 1.084 338 F HN 0.336 nan 8.300 nan 0.000 0.567 339 Q N 0.137 119.923 119.800 -0.023 0.000 2.437 339 Q HA -0.183 4.156 4.340 -0.001 0.000 0.210 339 Q C 1.984 177.941 176.000 -0.072 0.000 0.972 339 Q CA 0.873 56.660 55.803 -0.027 0.000 0.903 339 Q CB -0.287 28.427 28.738 -0.039 0.000 0.967 339 Q HN 0.453 nan 8.270 nan 0.000 0.486 340 E N 1.071 121.167 120.200 -0.173 0.000 2.338 340 E HA -0.098 4.252 4.350 -0.001 0.000 0.197 340 E C 0.834 177.398 176.600 -0.059 0.000 1.007 340 E CA 0.766 57.080 56.400 -0.144 0.000 0.849 340 E CB -0.136 29.440 29.700 -0.206 0.000 0.774 340 E HN 0.388 nan 8.360 nan 0.000 0.506 341 N N -0.765 117.946 118.700 0.018 0.000 2.521 341 N HA 0.029 4.768 4.740 -0.001 0.000 0.188 341 N C 0.891 176.422 175.510 0.035 0.000 1.146 341 N CA 0.097 53.179 53.050 0.054 0.000 0.893 341 N CB 0.150 38.716 38.487 0.131 0.000 0.975 341 N HN 0.210 nan 8.380 nan 0.000 0.451 342 L N 0.206 121.436 121.223 0.012 0.000 2.416 342 L HA 0.059 4.398 4.340 -0.001 0.000 0.216 342 L C 1.712 178.582 176.870 0.001 0.000 1.098 342 L CA 0.571 55.420 54.840 0.014 0.000 0.840 342 L CB 0.050 42.113 42.059 0.007 0.000 0.981 342 L HN 0.029 nan 8.230 nan 0.000 0.462 343 K N 0.545 120.929 120.400 -0.026 0.000 2.365 343 K HA 0.065 4.384 4.320 -0.001 0.000 0.199 343 K C 1.233 177.820 176.600 -0.022 0.000 1.045 343 K CA 0.661 56.925 56.287 -0.037 0.000 0.962 343 K CB -0.123 32.330 32.500 -0.078 0.000 0.759 343 K HN 0.327 nan 8.250 nan 0.000 0.469 344 G N 2.121 110.923 108.800 0.003 0.000 2.273 344 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.280 344 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.280 344 G C 0.073 174.983 174.900 0.016 0.000 1.047 344 G CA 0.384 45.515 45.100 0.052 0.000 0.869 344 G HN 0.309 nan 8.290 nan 0.000 0.502 345 S N -0.895 114.758 115.700 -0.078 0.000 2.618 345 S HA 0.337 4.806 4.470 -0.001 0.000 0.254 345 S C 1.349 175.911 174.600 -0.064 0.000 1.284 345 S CA 0.542 58.648 58.200 -0.157 0.000 0.975 345 S CB 0.041 62.932 63.200 -0.514 0.000 1.022 345 S HN 1.025 nan 8.310 nan 0.000 0.571 346 Y N 0.012 120.195 120.300 -0.196 0.000 2.457 346 Y HA 0.070 4.619 4.550 -0.001 0.000 0.292 346 Y C 1.744 177.538 175.900 -0.178 0.000 1.125 346 Y CA 0.751 58.764 58.100 -0.144 0.000 1.254 346 Y CB -0.717 37.641 38.460 -0.170 0.000 1.012 346 Y HN 0.742 nan 8.280 nan 0.000 0.555 347 Y N -0.742 119.045 120.300 -0.855 0.000 2.467 347 Y HA 0.606 5.155 4.550 -0.001 0.000 0.259 347 Y C 1.051 176.671 175.900 -0.466 0.000 1.084 347 Y CA -0.922 56.712 58.100 -0.776 0.000 1.275 347 Y CB -0.275 37.530 38.460 -1.092 0.000 1.208 347 Y HN -0.038 nan 8.280 nan 0.000 0.511 348 G N 1.561 109.996 108.800 -0.609 0.000 2.571 348 G HA2 0.479 4.438 3.960 -0.001 0.000 0.327 348 G HA3 0.479 4.438 3.960 -0.001 0.000 0.327 348 G C -1.300 173.547 174.900 -0.089 0.000 1.008 348 G CA -0.157 44.767 45.100 -0.294 0.000 1.136 348 G HN 0.506 nan 8.290 nan 0.000 0.444 349 Y N -0.724 119.555 120.300 -0.035 0.000 2.914 349 Y HA 0.696 5.245 4.550 -0.001 0.000 0.327 349 Y C -0.182 175.738 175.900 0.033 0.000 1.440 349 Y CA -1.265 56.832 58.100 -0.005 0.000 1.086 349 Y CB 0.298 38.753 38.460 -0.009 0.000 1.544 349 Y HN 0.266 nan 8.280 nan 0.000 0.442 350 c N -0.372 118.460 118.600 0.387 0.000 3.242 350 c HA 0.518 5.087 4.570 -0.001 0.000 0.121 350 c C 0.578 174.895 174.090 0.379 0.000 2.619 350 c CA -0.267 56.215 56.329 0.254 0.000 0.936 350 c CB 0.403 43.003 42.510 0.150 0.000 1.552 350 c HN 0.852 nan 8.230 nan 0.000 0.649 351 R N 1.179 121.832 120.500 0.256 0.000 2.583 351 R HA 0.435 4.774 4.340 -0.001 0.000 0.268 351 R C -0.778 175.619 176.300 0.161 0.000 1.101 351 R CA 0.185 56.419 56.100 0.222 0.000 1.180 351 R CB 0.455 30.850 30.300 0.157 0.000 1.128 351 R HN 0.433 nan 8.270 nan 0.000 0.568 352 K N 1.335 121.819 120.400 0.140 0.000 2.427 352 K HA 0.239 4.559 4.320 -0.001 0.000 0.252 352 K C -1.186 175.465 176.600 0.085 0.000 0.931 352 K CA -0.531 55.786 56.287 0.050 0.000 0.793 352 K CB 2.328 34.843 32.500 0.026 0.000 1.211 352 K HN 0.488 nan 8.250 nan 0.000 0.426 353 E N 2.003 122.233 120.200 0.050 0.000 2.186 353 E HA 0.107 4.456 4.350 -0.001 0.000 0.255 353 E C -0.884 175.744 176.600 0.046 0.000 0.881 353 E CA -0.450 55.985 56.400 0.058 0.000 0.752 353 E CB 0.889 30.617 29.700 0.046 0.000 1.176 353 E HN 0.643 nan 8.360 nan 0.000 0.421 354 N N 2.934 121.671 118.700 0.062 0.000 2.783 354 N HA -0.240 4.499 4.740 -0.001 0.000 0.247 354 N C 0.614 176.153 175.510 0.049 0.000 1.089 354 N CA 1.455 54.537 53.050 0.054 0.000 0.690 354 N CB -1.118 37.390 38.487 0.036 0.000 0.991 354 N HN 0.869 nan 8.380 nan 0.000 0.552 355 G N -0.578 108.257 108.800 0.058 0.000 2.284 355 G HA2 -0.414 3.545 3.960 -0.001 0.000 0.261 355 G HA3 -0.414 3.545 3.960 -0.001 0.000 0.261 355 G C 0.205 175.099 174.900 -0.011 0.000 0.997 355 G CA 0.619 45.742 45.100 0.038 0.000 0.621 355 G HN 0.750 nan 8.290 nan 0.000 0.534 356 R N 1.305 121.799 120.500 -0.010 0.000 2.370 356 R HA 0.389 4.728 4.340 -0.001 0.000 0.309 356 R C 0.044 176.293 176.300 -0.085 0.000 1.059 356 R CA -0.193 55.888 56.100 -0.033 0.000 0.981 356 R CB 0.175 30.470 30.300 -0.007 0.000 0.972 356 R HN 0.279 nan 8.270 nan 0.000 0.437 357 K N 5.272 125.583 120.400 -0.149 0.000 2.312 357 K HA 0.222 4.542 4.320 -0.001 0.000 0.287 357 K C -0.338 176.212 176.600 -0.083 0.000 1.062 357 K CA -0.028 56.100 56.287 -0.266 0.000 0.934 357 K CB 0.980 33.213 32.500 -0.446 0.000 1.027 357 K HN 0.488 nan 8.250 nan 0.000 0.478 358 I N 5.956 126.515 120.570 -0.017 0.000 2.354 358 I HA 0.246 4.415 4.170 -0.001 0.000 0.292 358 I C -1.867 174.318 176.117 0.113 0.000 0.989 358 I CA -2.685 58.646 61.300 0.052 0.000 1.188 358 I CB 1.411 39.445 38.000 0.057 0.000 1.342 358 I HN 0.415 nan 8.210 nan 0.000 0.457 359 P HA 0.008 nan 4.420 nan 0.000 0.270 359 P C -0.687 176.663 177.300 0.084 0.000 1.223 359 P CA -0.290 62.862 63.100 0.086 0.000 0.785 359 P CB 0.569 32.298 31.700 0.048 0.000 0.923 360 c N 1.325 119.972 118.600 0.079 0.000 2.463 360 c HA 0.567 5.137 4.570 -0.001 0.000 0.380 360 c C 1.244 175.363 174.090 0.048 0.000 1.264 360 c CA -0.390 55.981 56.329 0.069 0.000 2.161 360 c CB 0.314 42.869 42.510 0.074 0.000 2.515 360 c HN 0.638 nan 8.230 nan 0.000 0.565 361 A N 3.836 126.679 122.820 0.039 0.000 2.445 361 A HA 0.351 4.670 4.320 -0.001 0.000 0.242 361 A C -1.265 176.333 177.584 0.023 0.000 1.075 361 A CA -0.688 51.365 52.037 0.026 0.000 0.777 361 A CB -0.309 18.703 19.000 0.019 0.000 1.013 361 A HN 0.739 nan 8.150 nan 0.000 0.493 362 P HA -0.225 nan 4.420 nan 0.000 0.221 362 P C 1.129 178.433 177.300 0.006 0.000 1.141 362 P CA 1.728 64.835 63.100 0.012 0.000 0.794 362 P CB 0.131 31.834 31.700 0.005 0.000 0.764 363 Q N -1.684 118.118 119.800 0.003 0.000 2.392 363 Q HA 0.014 4.354 4.340 -0.001 0.000 0.203 363 Q C 0.033 176.030 176.000 -0.006 0.000 0.917 363 Q CA 0.734 56.533 55.803 -0.007 0.000 0.939 363 Q CB -0.070 28.662 28.738 -0.011 0.000 1.063 363 Q HN 0.225 nan 8.270 nan 0.000 0.516 364 D N 1.601 122.008 120.400 0.011 0.000 2.623 364 D HA 0.073 4.712 4.640 -0.001 0.000 0.252 364 D C 1.453 177.783 176.300 0.050 0.000 1.294 364 D CA 0.086 54.098 54.000 0.020 0.000 0.824 364 D CB 1.272 42.087 40.800 0.025 0.000 1.070 364 D HN 0.183 nan 8.370 nan 0.000 0.487 365 V N -1.459 118.491 119.914 0.060 0.000 2.809 365 V HA -0.046 4.073 4.120 -0.001 0.000 0.256 365 V C 1.638 177.864 176.094 0.220 0.000 1.080 365 V CA 0.820 63.198 62.300 0.130 0.000 1.102 365 V CB -0.395 31.505 31.823 0.129 0.000 0.705 365 V HN -0.064 nan 8.190 nan 0.000 0.475 366 K N -0.195 120.254 120.400 0.082 0.000 2.546 366 K HA 0.246 4.565 4.320 -0.001 0.000 0.198 366 K C 0.817 177.479 176.600 0.104 0.000 1.028 366 K CA 0.552 56.860 56.287 0.034 0.000 1.150 366 K CB -0.166 32.231 32.500 -0.171 0.000 0.876 366 K HN 0.636 nan 8.250 nan 0.000 0.508 367 c N -1.260 117.404 118.600 0.107 0.000 3.642 367 c HA 0.254 4.823 4.570 -0.001 0.000 0.305 367 c C 1.582 175.696 174.090 0.039 0.000 1.492 367 c CA -0.651 55.712 56.329 0.056 0.000 1.809 367 c CB 0.005 42.526 42.510 0.018 0.000 2.639 367 c HN 0.466 nan 8.230 nan 0.000 0.672 368 G N 0.710 109.551 108.800 0.070 0.000 3.229 368 G HA2 0.349 4.309 3.960 -0.001 0.000 0.165 368 G HA3 0.349 4.309 3.960 -0.001 0.000 0.165 368 G C -0.025 174.808 174.900 -0.111 0.000 1.753 368 G CA -0.179 44.902 45.100 -0.032 0.000 1.054 368 G HN 0.322 nan 8.290 nan 0.000 0.544 369 R N -0.490 119.883 120.500 -0.211 0.000 2.537 369 R HA 0.303 4.642 4.340 -0.001 0.000 0.280 369 R C -0.381 175.668 176.300 -0.418 0.000 1.058 369 R CA -0.446 55.434 56.100 -0.366 0.000 1.057 369 R CB 0.289 30.293 30.300 -0.494 0.000 0.973 369 R HN 0.261 nan 8.270 nan 0.000 0.438 370 L N 5.225 126.214 121.223 -0.390 0.000 2.305 370 L HA 0.436 4.775 4.340 -0.001 0.000 0.281 370 L C -1.315 175.187 176.870 -0.615 0.000 1.085 370 L CA 0.337 55.009 54.840 -0.280 0.000 0.813 370 L CB 0.327 42.348 42.059 -0.064 0.000 1.157 370 L HN 0.566 nan 8.230 nan 0.000 0.436 371 F N 3.952 123.638 119.950 -0.440 0.000 2.482 371 F HA 0.549 5.075 4.527 -0.001 0.000 0.331 371 F C 0.081 175.762 175.800 -0.200 0.000 1.115 371 F CA -0.344 57.414 58.000 -0.403 0.000 0.955 371 F CB 1.451 40.051 39.000 -0.666 0.000 1.136 371 F HN 0.426 nan 8.300 nan 0.000 0.452 372 c N 3.115 121.672 118.600 -0.073 0.000 2.667 372 c HA 0.544 5.114 4.570 -0.001 0.000 0.323 372 c C -0.060 173.915 174.090 -0.192 0.000 1.214 372 c CA -0.891 55.370 56.329 -0.113 0.000 1.721 372 c CB 1.762 44.167 42.510 -0.174 0.000 2.275 372 c HN 0.715 nan 8.230 nan 0.000 0.491 373 L N 3.247 124.403 121.223 -0.110 0.000 2.828 373 L HA 0.364 4.703 4.340 -0.001 0.000 0.233 373 L C 0.277 177.077 176.870 -0.117 0.000 1.250 373 L CA 0.154 54.935 54.840 -0.099 0.000 1.125 373 L CB -1.103 40.939 42.059 -0.028 0.000 1.432 373 L HN 0.720 nan 8.230 nan 0.000 0.444 374 N N 1.006 119.573 118.700 -0.222 0.000 2.418 374 N HA -0.130 4.609 4.740 -0.001 0.000 0.277 374 N C 0.436 175.902 175.510 -0.074 0.000 1.317 374 N CA 0.540 53.501 53.050 -0.149 0.000 0.922 374 N CB 0.145 38.492 38.487 -0.233 0.000 1.194 374 N HN 0.449 nan 8.380 nan 0.000 0.485 375 N N 2.087 120.768 118.700 -0.032 0.000 2.878 375 N HA 0.013 4.752 4.740 -0.001 0.000 0.282 375 N C -1.154 174.353 175.510 -0.005 0.000 1.284 375 N CA -0.137 52.903 53.050 -0.018 0.000 1.053 375 N CB -0.085 38.397 38.487 -0.009 0.000 1.382 375 N HN 0.372 nan 8.380 nan 0.000 0.529 376 S N 0.742 116.440 115.700 -0.003 0.000 2.433 376 S HA 0.485 4.954 4.470 -0.001 0.000 0.310 376 S C -2.412 172.192 174.600 0.007 0.000 1.097 376 S CA -1.652 56.555 58.200 0.011 0.000 1.103 376 S CB 0.539 63.757 63.200 0.030 0.000 0.992 376 S HN 0.188 nan 8.310 nan 0.000 0.469 377 P HA 0.063 nan 4.420 nan 0.000 0.272 377 P C 0.290 177.595 177.300 0.008 0.000 1.210 377 P CA 0.505 63.608 63.100 0.005 0.000 0.789 377 P CB 0.238 31.942 31.700 0.007 0.000 0.849 378 R N -2.929 117.574 120.500 0.006 0.000 3.426 378 R HA -0.146 4.193 4.340 -0.001 0.000 0.478 378 R C 0.671 176.974 176.300 0.005 0.000 0.673 378 R CA 0.509 56.614 56.100 0.008 0.000 1.455 378 R CB -1.796 28.512 30.300 0.013 0.000 2.122 378 R HN 0.503 nan 8.270 nan 0.000 0.418 379 N N 0.991 119.690 118.700 -0.001 0.000 2.235 379 N HA 0.121 4.860 4.740 -0.001 0.000 0.231 379 N C 0.731 176.235 175.510 -0.010 0.000 1.330 379 N CA 0.672 53.716 53.050 -0.009 0.000 0.898 379 N CB 0.472 38.946 38.487 -0.022 0.000 1.151 379 N HN 0.248 nan 8.380 nan 0.000 0.472 380 K N -0.690 119.701 120.400 -0.015 0.000 2.343 380 K HA 0.076 4.395 4.320 -0.001 0.000 0.168 380 K C -0.919 175.670 176.600 -0.018 0.000 1.857 380 K CA -0.194 56.085 56.287 -0.013 0.000 1.014 380 K CB 0.091 32.588 32.500 -0.005 0.000 1.735 380 K HN 0.404 nan 8.250 nan 0.000 0.527 381 N N 2.116 120.799 118.700 -0.028 0.000 2.446 381 N HA 0.203 4.942 4.740 -0.001 0.000 0.265 381 N C -2.166 173.312 175.510 -0.055 0.000 0.975 381 N CA -1.866 51.162 53.050 -0.037 0.000 0.928 381 N CB 1.496 39.961 38.487 -0.037 0.000 1.160 381 N HN -0.190 nan 8.380 nan 0.000 0.495 382 P HA 0.181 nan 4.420 nan 0.000 0.255 382 P C -0.584 176.679 177.300 -0.061 0.000 1.248 382 P CA 0.127 63.195 63.100 -0.053 0.000 0.807 382 P CB 0.105 31.781 31.700 -0.039 0.000 1.150 383 c N 1.303 119.867 118.600 -0.061 0.000 3.094 383 c HA 0.334 4.903 4.570 -0.001 0.000 0.262 383 c C 0.432 174.544 174.090 0.037 0.000 1.459 383 c CA -0.950 55.364 56.329 -0.025 0.000 1.570 383 c CB -1.511 40.934 42.510 -0.109 0.000 2.056 383 c HN 0.195 nan 8.230 nan 0.000 0.499 384 N N 2.770 121.397 118.700 -0.122 0.000 2.518 384 N HA 0.527 5.267 4.740 -0.001 0.000 0.266 384 N C -0.283 175.094 175.510 -0.223 0.000 1.196 384 N CA 0.528 53.415 53.050 -0.272 0.000 0.947 384 N CB 1.061 39.133 38.487 -0.690 0.000 1.098 384 N HN 0.606 nan 8.380 nan 0.000 0.450 385 M N -0.379 119.155 119.600 -0.110 0.000 2.520 385 M HA 0.328 4.807 4.480 -0.001 0.000 0.280 385 M C -1.178 175.197 176.300 0.125 0.000 1.232 385 M CA -0.753 54.466 55.300 -0.135 0.000 0.892 385 M CB 1.968 34.166 32.600 -0.669 0.000 1.728 385 M HN 0.355 nan 8.290 nan 0.000 0.475 386 H N 1.553 120.636 119.070 0.021 0.000 2.488 386 H HA 0.641 5.196 4.556 -0.001 0.000 0.322 386 H C -2.321 173.009 175.328 0.004 0.000 1.078 386 H CA -0.190 55.847 56.048 -0.019 0.000 1.260 386 H CB 0.986 30.657 29.762 -0.152 0.000 1.425 386 H HN 0.854 nan 8.280 nan 0.000 0.471 387 Y N 2.933 122.896 120.300 -0.562 0.000 2.482 387 Y HA 0.338 4.888 4.550 -0.001 0.000 0.334 387 Y C -1.551 174.189 175.900 -0.267 0.000 1.091 387 Y CA -0.495 57.444 58.100 -0.268 0.000 1.027 387 Y CB 1.870 40.271 38.460 -0.098 0.000 1.306 387 Y HN 0.596 nan 8.280 nan 0.000 0.446 388 S N 3.615 118.741 115.700 -0.956 0.000 2.572 388 S HA 0.312 4.782 4.470 -0.001 0.000 0.274 388 S C 0.442 174.563 174.600 -0.799 0.000 1.150 388 S CA -0.262 57.578 58.200 -0.599 0.000 0.944 388 S CB 0.377 63.417 63.200 -0.267 0.000 1.071 388 S HN 1.141 nan 8.310 nan 0.000 0.479 389 C N 4.358 123.413 119.300 -0.408 0.000 2.449 389 C HA 0.165 4.624 4.460 -0.001 0.000 0.283 389 C C 1.675 176.610 174.990 -0.092 0.000 1.453 389 C CA 0.288 59.205 59.018 -0.168 0.000 1.779 389 C CB -1.805 25.986 27.740 0.085 0.000 1.779 389 C HN 0.780 nan 8.230 nan 0.000 0.546 390 M N 0.465 120.012 119.600 -0.088 0.000 2.371 390 M HA 0.310 4.789 4.480 -0.001 0.000 0.246 390 M C 0.248 176.589 176.300 0.069 0.000 1.103 390 M CA 0.823 56.129 55.300 0.009 0.000 1.010 390 M CB -0.084 32.524 32.600 0.014 0.000 1.457 390 M HN 0.202 nan 8.290 nan 0.000 0.486 391 D N -0.111 120.250 120.400 -0.066 0.000 2.978 391 D HA 0.161 4.800 4.640 -0.001 0.000 0.268 391 D C 0.347 176.511 176.300 -0.226 0.000 1.252 391 D CA 0.152 54.089 54.000 -0.104 0.000 0.771 391 D CB 0.277 41.062 40.800 -0.025 0.000 1.361 391 D HN 0.208 nan 8.370 nan 0.000 0.558 392 Q N -0.497 119.132 119.800 -0.285 0.000 2.230 392 Q HA -0.072 4.267 4.340 -0.001 0.000 0.202 392 Q C 1.236 177.147 176.000 -0.149 0.000 0.963 392 Q CA 0.693 56.359 55.803 -0.228 0.000 0.866 392 Q CB 0.314 29.020 28.738 -0.054 0.000 0.931 392 Q HN 0.475 nan 8.270 nan 0.000 0.452 393 H N 1.156 120.161 119.070 -0.108 0.000 2.389 393 H HA 0.010 4.566 4.556 -0.001 0.000 0.299 393 H C 0.786 175.995 175.328 -0.198 0.000 1.081 393 H CA 0.844 56.796 56.048 -0.159 0.000 1.345 393 H CB -0.044 29.611 29.762 -0.178 0.000 1.393 393 H HN 0.091 nan 8.280 nan 0.000 0.520 394 K N 0.439 120.764 120.400 -0.124 0.000 2.383 394 K HA 0.160 4.479 4.320 -0.001 0.000 0.286 394 K C 0.639 177.159 176.600 -0.134 0.000 1.051 394 K CA 0.756 56.931 56.287 -0.188 0.000 0.974 394 K CB 0.308 32.638 32.500 -0.284 0.000 0.968 394 K HN 0.450 nan 8.250 nan 0.000 0.475 395 G N 3.540 112.252 108.800 -0.147 0.000 2.380 395 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.197 395 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.197 395 G C -0.008 174.824 174.900 -0.114 0.000 1.001 395 G CA -0.478 44.584 45.100 -0.063 0.000 0.668 395 G HN 0.466 nan 8.290 nan 0.000 0.483 396 M N 1.532 121.058 119.600 -0.123 0.000 2.255 396 M HA 0.475 4.954 4.480 -0.001 0.000 0.336 396 M C 0.992 177.220 176.300 -0.119 0.000 1.135 396 M CA -0.539 54.666 55.300 -0.158 0.000 1.145 396 M CB 1.209 33.699 32.600 -0.184 0.000 1.473 396 M HN -0.047 nan 8.290 nan 0.000 0.462 397 V N 2.958 122.823 119.914 -0.082 0.000 2.540 397 V HA -0.073 4.046 4.120 -0.001 0.000 0.297 397 V C 0.124 176.184 176.094 -0.058 0.000 1.024 397 V CA -0.129 62.154 62.300 -0.027 0.000 1.105 397 V CB -0.342 31.501 31.823 0.033 0.000 0.938 397 V HN 0.646 nan 8.190 nan 0.000 0.482 398 D N 7.786 128.166 120.400 -0.032 0.000 2.487 398 D HA 0.094 4.733 4.640 -0.001 0.000 0.243 398 D C -2.001 174.267 176.300 -0.054 0.000 1.154 398 D CA -0.878 53.109 54.000 -0.021 0.000 0.876 398 D CB 0.525 41.338 40.800 0.023 0.000 1.161 398 D HN 0.383 nan 8.370 nan 0.000 0.478 399 P HA 0.071 nan 4.420 nan 0.000 0.266 399 P C 0.891 177.887 177.300 -0.506 0.000 1.195 399 P CA 0.129 63.132 63.100 -0.162 0.000 0.768 399 P CB 1.004 32.707 31.700 0.005 0.000 0.838 400 G N 1.381 109.826 108.800 -0.592 0.000 2.259 400 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.217 400 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.217 400 G C 0.362 175.150 174.900 -0.187 0.000 1.001 400 G CA 0.019 44.679 45.100 -0.734 0.000 0.627 400 G HN 0.641 nan 8.290 nan 0.000 0.501 401 T N 1.577 116.062 114.554 -0.116 0.000 2.906 401 T HA 0.345 4.694 4.350 -0.001 0.000 0.320 401 T C 0.500 175.216 174.700 0.027 0.000 1.088 401 T CA 0.750 62.847 62.100 -0.005 0.000 1.120 401 T CB 1.148 70.016 68.868 0.001 0.000 1.000 401 T HN 0.445 nan 8.240 nan 0.000 0.550 402 K N 1.661 122.118 120.400 0.096 0.000 2.284 402 K HA 0.191 4.510 4.320 -0.001 0.000 0.287 402 K C 1.021 177.649 176.600 0.047 0.000 1.081 402 K CA -0.687 55.684 56.287 0.140 0.000 0.910 402 K CB -0.059 32.607 32.500 0.276 0.000 1.088 402 K HN 0.858 nan 8.250 nan 0.000 0.478 403 c N 2.088 120.686 118.600 -0.003 0.000 2.590 403 c HA 0.311 4.880 4.570 -0.001 0.000 0.272 403 c C 0.105 174.163 174.090 -0.053 0.000 1.338 403 c CA -0.403 55.899 56.329 -0.045 0.000 1.746 403 c CB -0.844 41.631 42.510 -0.058 0.000 2.020 403 c HN 0.821 nan 8.230 nan 0.000 0.531 404 E N -0.001 120.188 120.200 -0.018 0.000 2.396 404 E HA 0.187 4.537 4.350 -0.001 0.000 0.280 404 E C -1.793 174.831 176.600 0.039 0.000 1.065 404 E CA -0.764 55.629 56.400 -0.012 0.000 0.831 404 E CB 0.588 30.265 29.700 -0.037 0.000 1.272 404 E HN 0.096 nan 8.360 nan 0.000 0.443 405 D N 0.912 121.343 120.400 0.051 0.000 2.451 405 D HA 0.155 4.794 4.640 -0.001 0.000 0.254 405 D C 1.012 177.358 176.300 0.076 0.000 1.204 405 D CA 1.882 55.946 54.000 0.106 0.000 0.896 405 D CB 0.796 41.636 40.800 0.067 0.000 1.136 405 D HN 0.805 nan 8.370 nan 0.000 0.499 406 G N 2.677 111.545 108.800 0.113 0.000 2.175 406 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.244 406 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.244 406 G C 0.325 175.082 174.900 -0.238 0.000 0.982 406 G CA -0.005 45.052 45.100 -0.070 0.000 0.641 406 G HN 0.493 nan 8.290 nan 0.000 0.527 407 K N -0.242 120.029 120.400 -0.215 0.000 2.375 407 K HA 0.750 5.069 4.320 -0.001 0.000 0.249 407 K C -0.272 176.195 176.600 -0.221 0.000 0.942 407 K CA -0.437 55.720 56.287 -0.217 0.000 0.806 407 K CB 3.256 35.684 32.500 -0.121 0.000 1.227 407 K HN 0.751 nan 8.250 nan 0.000 0.430 408 V N -2.165 117.612 119.914 -0.228 0.000 3.114 408 V HA 0.485 4.604 4.120 -0.001 0.000 0.308 408 V C -0.462 175.536 176.094 -0.159 0.000 1.168 408 V CA -1.132 61.067 62.300 -0.168 0.000 1.015 408 V CB 1.448 33.166 31.823 -0.175 0.000 1.050 408 V HN 0.887 nan 8.190 nan 0.000 0.433 409 c N 4.229 122.755 118.600 -0.124 0.000 2.585 409 c HA 0.501 5.070 4.570 -0.001 0.000 0.406 409 c C 0.933 174.938 174.090 -0.143 0.000 1.312 409 c CA -0.122 56.142 56.329 -0.108 0.000 1.924 409 c CB -0.749 41.716 42.510 -0.074 0.000 2.578 409 c HN 1.126 nan 8.230 nan 0.000 0.580 410 N N 2.413 121.051 118.700 -0.104 0.000 2.443 410 N HA 0.097 4.836 4.740 -0.001 0.000 0.294 410 N C 0.343 175.855 175.510 0.004 0.000 1.289 410 N CA -0.530 52.473 53.050 -0.079 0.000 0.966 410 N CB 0.177 38.624 38.487 -0.066 0.000 1.122 410 N HN 0.535 nan 8.380 nan 0.000 0.569 411 N N -1.188 117.554 118.700 0.070 0.000 2.434 411 N HA 0.025 4.765 4.740 -0.001 0.000 0.196 411 N C -0.529 175.097 175.510 0.192 0.000 1.183 411 N CA 0.427 53.570 53.050 0.154 0.000 0.849 411 N CB 0.117 38.671 38.487 0.111 0.000 0.992 411 N HN 0.458 nan 8.380 nan 0.000 0.460 412 K N 0.353 120.834 120.400 0.135 0.000 3.084 412 K HA 0.257 4.576 4.320 -0.001 0.000 0.210 412 K C -0.362 176.313 176.600 0.125 0.000 1.137 412 K CA -0.405 55.971 56.287 0.149 0.000 1.010 412 K CB 0.746 33.297 32.500 0.086 0.000 0.806 412 K HN -0.239 nan 8.250 nan 0.000 0.460 413 R N 0.623 121.193 120.500 0.116 0.000 3.387 413 R HA -0.229 4.110 4.340 -0.001 0.000 0.254 413 R C -0.983 175.346 176.300 0.048 0.000 1.006 413 R CA 0.797 56.937 56.100 0.068 0.000 0.677 413 R CB -2.057 28.303 30.300 0.100 0.000 1.063 413 R HN 0.469 nan 8.270 nan 0.000 0.453 414 Q N -1.271 118.543 119.800 0.022 0.000 2.356 414 Q HA 0.396 4.735 4.340 -0.001 0.000 0.270 414 Q C -0.588 175.393 176.000 -0.031 0.000 1.058 414 Q CA -0.695 55.109 55.803 0.002 0.000 0.802 414 Q CB 2.557 31.294 28.738 -0.001 0.000 1.303 414 Q HN 0.329 nan 8.270 nan 0.000 0.444 415 c N 4.598 123.178 118.600 -0.033 0.000 2.615 415 c HA 0.422 4.991 4.570 -0.001 0.000 0.503 415 c C 0.619 174.663 174.090 -0.077 0.000 1.039 415 c CA -0.546 55.748 56.329 -0.057 0.000 1.226 415 c CB -1.823 40.659 42.510 -0.046 0.000 1.447 415 c HN 0.638 nan 8.230 nan 0.000 0.572 416 V N 2.433 122.285 119.914 -0.103 0.000 3.441 416 V HA 0.479 4.599 4.120 -0.001 0.000 0.300 416 V C 0.215 176.214 176.094 -0.157 0.000 1.062 416 V CA -0.318 61.911 62.300 -0.119 0.000 1.064 416 V CB 0.689 32.433 31.823 -0.131 0.000 1.197 416 V HN 0.621 nan 8.190 nan 0.000 0.451 417 D N 0.016 120.325 120.400 -0.152 0.000 2.277 417 D HA 0.238 4.877 4.640 -0.001 0.000 0.249 417 D C 0.762 176.924 176.300 -0.231 0.000 1.134 417 D CA 0.435 54.336 54.000 -0.165 0.000 0.863 417 D CB 1.558 42.292 40.800 -0.111 0.000 1.143 417 D HN 0.600 nan 8.370 nan 0.000 0.458 418 V N 5.117 124.857 119.914 -0.290 0.000 2.277 418 V HA -0.340 3.780 4.120 -0.001 0.000 0.253 418 V C 1.526 177.499 176.094 -0.202 0.000 1.067 418 V CA 2.285 64.385 62.300 -0.334 0.000 1.047 418 V CB -0.556 31.041 31.823 -0.377 0.000 0.649 418 V HN 0.663 nan 8.190 nan 0.000 0.447 419 N N 0.244 118.877 118.700 -0.111 0.000 2.205 419 N HA -0.140 4.599 4.740 -0.001 0.000 0.186 419 N C 1.828 177.308 175.510 -0.051 0.000 1.015 419 N CA 2.183 55.211 53.050 -0.038 0.000 0.862 419 N CB -0.466 38.006 38.487 -0.025 0.000 0.986 419 N HN 0.843 nan 8.380 nan 0.000 0.429 420 T N -2.655 111.836 114.554 -0.104 0.000 3.037 420 T HA 0.347 4.696 4.350 -0.001 0.000 0.251 420 T C 1.856 176.468 174.700 -0.147 0.000 1.079 420 T CA 0.408 62.452 62.100 -0.094 0.000 1.067 420 T CB 0.138 68.957 68.868 -0.082 0.000 0.948 420 T HN 0.112 nan 8.240 nan 0.000 0.496 421 A N -0.010 122.628 122.820 -0.302 0.000 2.067 421 A HA 0.370 4.690 4.320 -0.001 0.000 0.217 421 A C 0.493 177.795 177.584 -0.471 0.000 1.156 421 A CA 0.168 51.914 52.037 -0.486 0.000 0.683 421 A CB -0.366 18.143 19.000 -0.819 0.000 0.808 421 A HN 0.686 nan 8.150 nan 0.000 0.455 422 Y N 0.000 120.303 120.300 0.004 0.000 2.660 422 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 422 Y CA 0.000 58.112 58.100 0.021 0.000 1.940 422 Y CB 0.000 38.479 38.460 0.031 0.000 1.050 422 Y HN 0.000 nan 8.280 nan 0.000 0.758