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 1m6b_1_B DATA FIRST_RESID 6 DATA SEQUENCE SQAVcPGTXX XXXXXXXXXX XXXXXXXXXX RcEVVMGNLE IVLTGHNADL DATA SEQUENCE SFLQWVREVT GYVLVAMNEF STLPLPNLRV VRGTQVYDGK FAIFVMLNYN DATA SEQUENCE TNSSHALRQL RLTQLTEILS GGVYIEKNDK LcHMDTIDWR DIVRDRDAEI DATA SEQUENCE VVKDNGRScP PcHEVcKGRc WGPGSEDcQT LTKTIcAPQc NGHcFGPNPN DATA SEQUENCE QccHDEcAGG cSGPQDTDcF AcRHFNDSGA cVPRcPQPLV YNKLTFQLEP DATA SEQUENCE NPHTKYQYGG VcVAScPHNF VVDQTScVRA cPPDKMEVDK NGLKMcEPcG DATA SEQUENCE GLcPKAcEGT GSGSRFQTVD SSNIDGFVNc TKILGNLDFL ITGLNGDPWH DATA SEQUENCE KIPALDPEKL NVFRTVREIT GYLNIQSWPP HMHNFSVFSN LTTIGGRSLY DATA SEQUENCE NRGFSLLIMK NLNVTSLGFR SLKEISAGRI YISANRQLcY HHSLNWTKVL DATA SEQUENCE RGPTEERLDI KHNRPRRDcV AEGKVcDPLc SSGGcWGPGP GQcLScRNYS DATA SEQUENCE RGGVcVTHcN FLNGEPREFA HEAEcFScHP EcQPMEGTAT cNGSGSDTcA DATA SEQUENCE QcAHFRDGPH cVSScPHGVL GAKGPIYKYP DVQNEcRPcH ENcTQGcKGP DATA SEQUENCE ELQDcL 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.582 174.600 -0.030 0.000 1.055 6 S CA 0.000 58.188 58.200 -0.020 0.000 1.107 6 S CB 0.000 63.191 63.200 -0.015 0.000 0.593 7 Q N 2.096 121.880 119.800 -0.027 0.000 2.331 7 Q HA 0.684 5.026 4.340 0.003 0.000 0.257 7 Q C 0.679 176.668 176.000 -0.020 0.000 0.957 7 Q CA -0.207 55.589 55.803 -0.012 0.000 0.923 7 Q CB 1.408 30.147 28.738 0.001 0.000 1.212 7 Q HN 0.811 nan 8.270 nan 0.000 0.443 8 A N 3.499 126.318 122.820 -0.002 0.000 2.206 8 A HA 0.236 4.558 4.320 0.003 0.000 0.211 8 A C 0.527 178.130 177.584 0.030 0.000 1.158 8 A CA 0.236 52.274 52.037 0.001 0.000 0.761 8 A CB 0.306 19.313 19.000 0.012 0.000 0.801 8 A HN 0.534 nan 8.150 nan 0.000 0.473 9 V N -0.750 119.198 119.914 0.056 0.000 2.581 9 V HA 0.535 4.656 4.120 0.003 0.000 0.303 9 V C -0.285 175.873 176.094 0.107 0.000 1.041 9 V CA -1.071 61.286 62.300 0.096 0.000 0.907 9 V CB 0.837 32.777 31.823 0.195 0.000 0.994 9 V HN 0.371 nan 8.190 nan 0.000 0.442 10 c N 3.384 122.046 118.600 0.104 0.000 3.090 10 c HA 0.700 5.271 4.570 0.003 0.000 0.305 10 c C -2.793 171.366 174.090 0.116 0.000 1.292 10 c CA -1.439 54.952 56.329 0.103 0.000 1.482 10 c CB 1.886 44.442 42.510 0.076 0.000 1.897 10 c HN 0.642 nan 8.230 nan 0.000 0.469 11 P HA 0.299 nan 4.420 nan 0.000 0.274 11 P C 0.511 177.857 177.300 0.076 0.000 1.246 11 P CA 0.167 63.344 63.100 0.127 0.000 0.795 11 P CB 0.538 32.335 31.700 0.162 0.000 1.006 12 G N -0.464 108.366 108.800 0.051 0.000 2.459 12 G HA2 0.084 4.046 3.960 0.003 0.000 0.213 12 G HA3 0.084 4.046 3.960 0.003 0.000 0.213 12 G C 0.389 175.309 174.900 0.033 0.000 1.155 12 G CA 0.995 46.111 45.100 0.026 0.000 0.811 12 G HN 0.686 nan 8.290 nan 0.000 0.534 37 c N 1.528 120.129 118.600 0.001 0.000 2.155 37 c HA -0.001 4.570 4.570 0.003 0.000 0.396 37 c C 1.343 175.508 174.090 0.124 0.000 1.545 37 c CA 1.196 57.569 56.329 0.074 0.000 1.442 37 c CB -0.887 41.702 42.510 0.131 0.000 2.553 37 c HN 0.733 nan 8.230 nan 0.000 0.598 38 E N 1.805 122.052 120.200 0.078 0.000 2.244 38 E HA 0.144 4.496 4.350 0.003 0.000 0.196 38 E C -0.212 176.431 176.600 0.072 0.000 0.939 38 E CA 0.501 56.960 56.400 0.098 0.000 0.884 38 E CB 0.536 30.278 29.700 0.069 0.000 0.850 38 E HN 0.604 nan 8.360 nan 0.000 0.481 39 V N 1.899 121.843 119.914 0.051 0.000 2.444 39 V HA 0.258 4.380 4.120 0.003 0.000 0.294 39 V C -0.490 175.619 176.094 0.025 0.000 1.022 39 V CA -0.833 61.485 62.300 0.029 0.000 0.850 39 V CB 1.767 33.594 31.823 0.007 0.000 0.992 39 V HN -0.122 nan 8.190 nan 0.000 0.426 40 V N 6.162 126.088 119.914 0.020 0.000 2.368 40 V HA 0.289 4.410 4.120 0.003 0.000 0.266 40 V C 0.319 176.397 176.094 -0.027 0.000 1.045 40 V CA -0.295 62.015 62.300 0.016 0.000 0.899 40 V CB 1.147 32.987 31.823 0.029 0.000 1.006 40 V HN 0.858 nan 8.190 nan 0.000 0.470 41 M N 6.073 125.643 119.600 -0.049 0.000 2.725 41 M HA 0.595 5.077 4.480 0.003 0.000 0.322 41 M C 0.493 176.762 176.300 -0.052 0.000 1.393 41 M CA 0.422 55.653 55.300 -0.116 0.000 1.452 41 M CB -0.880 31.559 32.600 -0.269 0.000 1.242 41 M HN 0.937 nan 8.290 nan 0.000 0.487 42 G N 2.513 111.276 108.800 -0.062 0.000 2.260 42 G HA2 -0.056 3.905 3.960 0.003 0.000 0.250 42 G HA3 -0.056 3.905 3.960 0.003 0.000 0.250 42 G C -1.372 173.442 174.900 -0.143 0.000 1.340 42 G CA -1.040 44.016 45.100 -0.073 0.000 1.056 42 G HN 0.489 nan 8.290 nan 0.000 0.471 43 N N -0.092 118.481 118.700 -0.212 0.000 2.417 43 N HA 0.605 5.346 4.740 0.003 0.000 0.300 43 N C -1.103 174.305 175.510 -0.169 0.000 1.102 43 N CA -0.466 52.357 53.050 -0.380 0.000 0.886 43 N CB 2.174 40.190 38.487 -0.785 0.000 1.203 43 N HN 0.543 nan 8.380 nan 0.000 0.496 44 L N 1.602 122.762 121.223 -0.104 0.000 2.277 44 L HA 0.342 4.684 4.340 0.003 0.000 0.284 44 L C -0.451 176.455 176.870 0.058 0.000 1.028 44 L CA -0.239 54.608 54.840 0.011 0.000 0.835 44 L CB 0.017 42.100 42.059 0.041 0.000 1.215 44 L HN 0.434 nan 8.230 nan 0.000 0.425 45 E N 6.016 126.258 120.200 0.069 0.000 2.129 45 E HA 0.460 4.811 4.350 0.003 0.000 0.268 45 E C -1.010 175.656 176.600 0.111 0.000 0.900 45 E CA -0.299 56.160 56.400 0.097 0.000 0.755 45 E CB 1.923 31.677 29.700 0.090 0.000 1.117 45 E HN 0.494 nan 8.360 nan 0.000 0.410 46 I N 3.937 124.586 120.570 0.131 0.000 2.437 46 I HA 0.234 4.406 4.170 0.003 0.000 0.279 46 I C -0.650 175.563 176.117 0.161 0.000 1.028 46 I CA -0.869 60.535 61.300 0.173 0.000 1.142 46 I CB 1.326 39.465 38.000 0.231 0.000 1.266 46 I HN 0.253 nan 8.210 nan 0.000 0.461 47 V N 4.555 124.547 119.914 0.130 0.000 2.876 47 V HA 0.615 4.736 4.120 0.003 0.000 0.312 47 V C 0.553 176.706 176.094 0.097 0.000 1.085 47 V CA -0.806 61.551 62.300 0.094 0.000 0.945 47 V CB 2.000 33.857 31.823 0.057 0.000 1.017 47 V HN 0.744 nan 8.190 nan 0.000 0.428 48 L N 0.497 121.763 121.223 0.073 0.000 4.884 48 L HA -0.139 4.202 4.340 0.003 0.000 0.430 48 L C 0.915 177.841 176.870 0.092 0.000 1.087 48 L CA 1.366 56.245 54.840 0.064 0.000 1.033 48 L CB -1.695 40.395 42.059 0.052 0.000 2.030 48 L HN 1.255 nan 8.230 nan 0.000 0.762 49 T N -1.160 113.487 114.554 0.155 0.000 2.856 49 T HA 0.544 4.895 4.350 0.003 0.000 0.292 49 T C 0.975 175.802 174.700 0.212 0.000 0.980 49 T CA 0.139 62.354 62.100 0.192 0.000 1.091 49 T CB 1.710 70.724 68.868 0.243 0.000 0.936 49 T HN 0.283 nan 8.240 nan 0.000 0.503 50 G N 2.014 110.894 108.800 0.133 0.000 2.631 50 G HA2 0.173 4.134 3.960 0.003 0.000 0.271 50 G HA3 0.173 4.134 3.960 0.003 0.000 0.271 50 G C 1.083 176.047 174.900 0.107 0.000 1.302 50 G CA 0.034 45.191 45.100 0.095 0.000 1.002 50 G HN 1.039 nan 8.290 nan 0.000 0.519 51 H N -0.876 118.174 119.070 -0.033 0.000 2.389 51 H HA 0.005 4.562 4.556 0.003 0.000 0.299 51 H C 1.451 176.774 175.328 -0.008 0.000 1.081 51 H CA 1.357 57.353 56.048 -0.087 0.000 1.345 51 H CB -0.048 29.400 29.762 -0.525 0.000 1.393 51 H HN 0.388 nan 8.280 nan 0.000 0.520 52 N N 1.356 119.645 118.700 -0.685 0.000 2.412 52 N HA 0.100 4.842 4.740 0.003 0.000 0.184 52 N C 0.228 175.631 175.510 -0.178 0.000 1.101 52 N CA 0.586 53.393 53.050 -0.405 0.000 0.881 52 N CB 0.043 38.227 38.487 -0.506 0.000 0.969 52 N HN 0.443 nan 8.380 nan 0.000 0.459 53 A N 1.254 123.998 122.820 -0.125 0.000 2.583 53 A HA -0.111 4.211 4.320 0.003 0.000 0.249 53 A C 0.220 177.748 177.584 -0.095 0.000 1.035 53 A CA 0.123 52.119 52.037 -0.069 0.000 0.777 53 A CB -0.135 18.851 19.000 -0.023 0.000 0.942 53 A HN 0.159 nan 8.150 nan 0.000 0.516 54 D N 2.592 122.970 120.400 -0.036 0.000 2.338 54 D HA 0.203 4.845 4.640 0.003 0.000 0.255 54 D C 0.478 176.752 176.300 -0.044 0.000 1.237 54 D CA 0.148 54.131 54.000 -0.028 0.000 0.883 54 D CB 0.419 41.241 40.800 0.036 0.000 1.087 54 D HN 0.471 nan 8.370 nan 0.000 0.485 55 L N 2.890 123.967 121.223 -0.243 0.000 2.693 55 L HA -0.030 4.311 4.340 0.003 0.000 0.235 55 L C 2.236 178.750 176.870 -0.594 0.000 1.127 55 L CA 0.027 54.535 54.840 -0.553 0.000 0.914 55 L CB 0.062 41.746 42.059 -0.624 0.000 1.193 55 L HN 0.379 nan 8.230 nan 0.000 0.502 56 S N 0.890 116.417 115.700 -0.288 0.000 2.440 56 S HA -0.275 4.197 4.470 0.003 0.000 0.240 56 S C 1.892 176.413 174.600 -0.131 0.000 1.014 56 S CA 1.360 59.434 58.200 -0.209 0.000 0.980 56 S CB -0.945 62.192 63.200 -0.105 0.000 0.775 56 S HN 0.568 nan 8.310 nan 0.000 0.499 57 F N 1.741 121.702 119.950 0.018 0.000 2.287 57 F HA 0.062 4.590 4.527 0.003 0.000 0.301 57 F C 1.471 177.347 175.800 0.127 0.000 1.069 57 F CA 0.615 58.678 58.000 0.105 0.000 1.372 57 F CB -0.892 38.146 39.000 0.063 0.000 1.056 57 F HN 0.156 nan 8.300 nan 0.000 0.523 58 L N 0.370 121.375 121.223 -0.364 0.000 2.612 58 L HA 0.073 4.415 4.340 0.003 0.000 0.230 58 L C 2.397 179.199 176.870 -0.113 0.000 1.140 58 L CA 0.208 54.940 54.840 -0.180 0.000 0.896 58 L CB -0.823 41.031 42.059 -0.342 0.000 1.065 58 L HN 0.298 nan 8.230 nan 0.000 0.447 59 Q N 0.315 120.005 119.800 -0.183 0.000 2.197 59 Q HA -0.209 4.132 4.340 0.003 0.000 0.207 59 Q C 1.491 177.257 176.000 -0.390 0.000 0.984 59 Q CA 1.725 57.270 55.803 -0.429 0.000 0.869 59 Q CB 0.052 28.270 28.738 -0.867 0.000 0.906 59 Q HN 0.639 nan 8.270 nan 0.000 0.426 60 W N -0.095 121.185 121.300 -0.035 0.000 3.220 60 W HA 0.202 4.863 4.660 0.002 0.000 0.328 60 W C 0.015 176.522 176.519 -0.021 0.000 1.205 60 W CA -0.316 57.016 57.345 -0.022 0.000 1.773 60 W CB 0.485 29.942 29.460 -0.004 0.000 1.086 60 W HN -0.189 nan 8.180 nan 0.000 0.622 61 V N 2.476 122.491 119.914 0.169 0.000 2.458 61 V HA -0.091 4.031 4.120 0.003 0.000 0.287 61 V C 1.353 177.481 176.094 0.057 0.000 1.009 61 V CA 1.019 63.383 62.300 0.106 0.000 1.091 61 V CB 0.838 32.698 31.823 0.063 0.000 0.960 61 V HN 0.129 nan 8.190 nan 0.000 0.476 62 R N 2.603 123.141 120.500 0.063 0.000 2.142 62 R HA 0.205 4.547 4.340 0.003 0.000 0.204 62 R C 0.695 177.011 176.300 0.027 0.000 1.059 62 R CA 0.309 56.432 56.100 0.038 0.000 1.055 62 R CB 0.601 30.933 30.300 0.053 0.000 0.976 62 R HN 0.817 nan 8.270 nan 0.000 0.483 63 E N 0.402 120.623 120.200 0.035 0.000 2.272 63 E HA 0.271 4.622 4.350 0.003 0.000 0.269 63 E C -1.651 174.964 176.600 0.026 0.000 0.877 63 E CA -0.550 55.868 56.400 0.031 0.000 0.755 63 E CB 2.335 32.053 29.700 0.031 0.000 1.192 63 E HN -0.184 nan 8.360 nan 0.000 0.422 64 V N 4.213 124.143 119.914 0.027 0.000 2.357 64 V HA 0.138 4.260 4.120 0.003 0.000 0.284 64 V C 1.200 177.300 176.094 0.010 0.000 1.018 64 V CA -0.074 62.236 62.300 0.017 0.000 0.841 64 V CB 1.223 33.063 31.823 0.028 0.000 0.991 64 V HN 0.986 nan 8.190 nan 0.000 0.437 65 T N 1.280 115.824 114.554 -0.017 0.000 2.995 65 T HA 0.055 4.407 4.350 0.003 0.000 0.269 65 T C 1.254 175.947 174.700 -0.011 0.000 1.091 65 T CA 0.886 62.974 62.100 -0.019 0.000 1.128 65 T CB 0.186 69.024 68.868 -0.050 0.000 0.891 65 T HN 0.706 nan 8.240 nan 0.000 0.492 66 G N 0.933 109.707 108.800 -0.045 0.000 3.411 66 G HA2 0.538 4.500 3.960 0.003 0.000 0.186 66 G HA3 0.538 4.500 3.960 0.003 0.000 0.186 66 G C -0.449 174.466 174.900 0.025 0.000 1.766 66 G CA -0.442 44.616 45.100 -0.071 0.000 0.971 66 G HN 0.612 nan 8.290 nan 0.000 0.590 67 Y N -1.977 118.381 120.300 0.095 0.000 2.633 67 Y HA 0.757 5.308 4.550 0.003 0.000 0.339 67 Y C -0.841 175.121 175.900 0.102 0.000 1.045 67 Y CA -2.037 56.135 58.100 0.120 0.000 1.098 67 Y CB 1.322 39.882 38.460 0.166 0.000 1.296 67 Y HN 0.257 nan 8.280 nan 0.000 0.494 68 V N 3.162 123.326 119.914 0.417 0.000 2.370 68 V HA 0.454 4.576 4.120 0.003 0.000 0.283 68 V C -0.921 175.370 176.094 0.329 0.000 1.023 68 V CA -0.564 61.910 62.300 0.290 0.000 0.857 68 V CB 1.136 33.076 31.823 0.194 0.000 0.985 68 V HN 0.739 nan 8.190 nan 0.000 0.443 69 L N 6.969 128.347 121.223 0.258 0.000 2.343 69 L HA 0.745 5.087 4.340 0.003 0.000 0.278 69 L C -0.818 176.121 176.870 0.115 0.000 0.996 69 L CA -0.015 54.897 54.840 0.120 0.000 0.831 69 L CB 1.771 43.791 42.059 -0.066 0.000 1.232 69 L HN 0.428 nan 8.230 nan 0.000 0.413 70 V N 4.950 124.944 119.914 0.133 0.000 2.349 70 V HA 0.930 5.052 4.120 0.003 0.000 0.284 70 V C -0.018 176.134 176.094 0.097 0.000 1.014 70 V CA -0.028 62.350 62.300 0.131 0.000 0.826 70 V CB 0.756 32.666 31.823 0.146 0.000 1.009 70 V HN 0.959 nan 8.190 nan 0.000 0.431 71 A N 5.151 128.014 122.820 0.072 0.000 2.549 71 A HA 0.823 5.145 4.320 0.003 0.000 0.297 71 A C 0.003 177.598 177.584 0.018 0.000 1.061 71 A CA -0.605 51.465 52.037 0.055 0.000 0.690 71 A CB 1.594 20.646 19.000 0.087 0.000 1.287 71 A HN 0.897 nan 8.150 nan 0.000 0.402 72 M N 0.121 119.716 119.600 -0.008 0.000 2.653 72 M HA -0.149 4.333 4.480 0.003 0.000 0.203 72 M C -0.276 175.993 176.300 -0.052 0.000 0.502 72 M CA 0.669 55.948 55.300 -0.034 0.000 0.601 72 M CB -2.961 29.635 32.600 -0.007 0.000 2.228 72 M HN 0.778 nan 8.290 nan 0.000 0.711 73 N N 1.497 120.124 118.700 -0.121 0.000 2.485 73 N HA 0.485 5.227 4.740 0.003 0.000 0.280 73 N C 0.772 176.132 175.510 -0.251 0.000 1.205 73 N CA -0.421 52.499 53.050 -0.217 0.000 0.959 73 N CB 0.950 39.121 38.487 -0.527 0.000 1.206 73 N HN 0.361 nan 8.380 nan 0.000 0.545 74 E N -0.193 119.888 120.200 -0.198 0.000 2.714 74 E HA 0.107 4.458 4.350 0.003 0.000 0.219 74 E C -0.438 176.156 176.600 -0.011 0.000 0.979 74 E CA -0.216 56.149 56.400 -0.060 0.000 1.092 74 E CB 0.000 29.744 29.700 0.072 0.000 1.049 74 E HN 0.467 nan 8.360 nan 0.000 0.487 75 F N 0.310 120.299 119.950 0.065 0.000 2.389 75 F HA 0.408 4.937 4.527 0.003 0.000 0.337 75 F C 1.331 177.169 175.800 0.062 0.000 1.112 75 F CA -0.872 57.158 58.000 0.051 0.000 1.192 75 F CB 0.826 39.835 39.000 0.015 0.000 1.185 75 F HN -0.320 nan 8.300 nan 0.000 0.552 76 S N 0.290 116.162 115.700 0.288 0.000 2.383 76 S HA -0.036 4.435 4.470 0.003 0.000 0.227 76 S C 0.441 175.171 174.600 0.215 0.000 1.026 76 S CA 1.312 59.627 58.200 0.191 0.000 0.981 76 S CB -0.420 62.872 63.200 0.152 0.000 0.818 76 S HN 0.771 nan 8.310 nan 0.000 0.472 77 T N 1.933 116.671 114.554 0.306 0.000 2.928 77 T HA 0.475 4.827 4.350 0.003 0.000 0.296 77 T C -1.238 173.608 174.700 0.245 0.000 1.000 77 T CA -0.557 61.670 62.100 0.211 0.000 0.989 77 T CB 2.066 70.991 68.868 0.096 0.000 1.005 77 T HN 0.022 nan 8.240 nan 0.000 0.442 78 L N 6.418 127.774 121.223 0.221 0.000 2.288 78 L HA 0.464 4.806 4.340 0.003 0.000 0.283 78 L C -2.403 174.463 176.870 -0.007 0.000 1.072 78 L CA -2.008 52.927 54.840 0.158 0.000 0.862 78 L CB 0.422 42.616 42.059 0.225 0.000 1.245 78 L HN 0.260 nan 8.230 nan 0.000 0.432 79 P HA 0.268 nan 4.420 nan 0.000 0.238 79 P C -0.735 176.458 177.300 -0.179 0.000 1.758 79 P CA 0.006 63.019 63.100 -0.146 0.000 1.142 79 P CB 0.299 31.893 31.700 -0.176 0.000 1.722 80 L N 5.183 126.311 121.223 -0.159 0.000 2.935 80 L HA 0.305 4.647 4.340 0.003 0.000 0.243 80 L C -1.262 175.497 176.870 -0.186 0.000 1.313 80 L CA -1.471 53.273 54.840 -0.160 0.000 0.969 80 L CB 1.258 43.245 42.059 -0.121 0.000 1.320 80 L HN 0.107 nan 8.230 nan 0.000 0.511 81 P HA -0.064 nan 4.420 nan 0.000 0.230 81 P C 0.514 177.705 177.300 -0.181 0.000 1.158 81 P CA 1.007 63.986 63.100 -0.202 0.000 0.769 81 P CB 0.397 31.981 31.700 -0.193 0.000 0.807 82 N N -0.708 117.899 118.700 -0.155 0.000 2.250 82 N HA 0.051 4.793 4.740 0.003 0.000 0.190 82 N C 0.482 175.941 175.510 -0.085 0.000 1.116 82 N CA -0.277 52.708 53.050 -0.108 0.000 0.881 82 N CB 0.162 38.602 38.487 -0.078 0.000 1.006 82 N HN 0.115 nan 8.380 nan 0.000 0.491 83 L N 2.177 123.338 121.223 -0.104 0.000 2.615 83 L HA -0.004 4.337 4.340 0.003 0.000 0.271 83 L C 1.224 178.036 176.870 -0.097 0.000 1.183 83 L CA 0.627 55.419 54.840 -0.080 0.000 0.933 83 L CB 0.265 42.274 42.059 -0.085 0.000 1.199 83 L HN -0.070 nan 8.230 nan 0.000 0.487 84 R N 2.581 123.047 120.500 -0.057 0.000 2.164 84 R HA 0.375 4.716 4.340 0.003 0.000 0.198 84 R C -0.590 175.687 176.300 -0.038 0.000 1.028 84 R CA 0.179 56.238 56.100 -0.069 0.000 1.083 84 R CB 0.727 30.998 30.300 -0.048 0.000 1.026 84 R HN 0.499 nan 8.270 nan 0.000 0.514 85 V N 1.167 121.085 119.914 0.007 0.000 2.709 85 V HA 0.388 4.509 4.120 0.003 0.000 0.308 85 V C -0.977 175.152 176.094 0.058 0.000 1.062 85 V CA -0.857 61.469 62.300 0.043 0.000 0.901 85 V CB 2.304 34.166 31.823 0.065 0.000 1.003 85 V HN -0.207 nan 8.190 nan 0.000 0.425 86 V N 4.992 124.957 119.914 0.086 0.000 2.378 86 V HA 0.435 4.557 4.120 0.003 0.000 0.288 86 V C 0.847 177.005 176.094 0.107 0.000 1.016 86 V CA -0.421 61.941 62.300 0.102 0.000 0.840 86 V CB 1.451 33.358 31.823 0.140 0.000 0.994 86 V HN 0.923 nan 8.190 nan 0.000 0.431 87 R N 3.962 124.514 120.500 0.087 0.000 2.140 87 R HA 0.214 4.555 4.340 0.003 0.000 0.213 87 R C 1.384 177.737 176.300 0.089 0.000 1.059 87 R CA 1.120 57.266 56.100 0.076 0.000 1.000 87 R CB 0.057 30.383 30.300 0.044 0.000 0.910 87 R HN 1.094 nan 8.270 nan 0.000 0.455 88 G N 1.179 110.045 108.800 0.111 0.000 2.295 88 G HA2 -0.306 3.655 3.960 0.003 0.000 0.287 88 G HA3 -0.306 3.655 3.960 0.003 0.000 0.287 88 G C 0.575 175.539 174.900 0.108 0.000 1.055 88 G CA 0.776 45.961 45.100 0.142 0.000 0.922 88 G HN 0.544 nan 8.290 nan 0.000 0.503 89 T N -3.559 111.040 114.554 0.075 0.000 3.072 89 T HA 0.178 4.530 4.350 0.003 0.000 0.266 89 T C 0.870 175.619 174.700 0.081 0.000 1.127 89 T CA 1.768 63.903 62.100 0.058 0.000 1.107 89 T CB 0.317 69.202 68.868 0.028 0.000 0.910 89 T HN 0.618 nan 8.240 nan 0.000 0.513 90 Q N 0.777 120.652 119.800 0.125 0.000 2.356 90 Q HA 0.583 4.925 4.340 0.003 0.000 0.270 90 Q C -1.298 174.926 176.000 0.374 0.000 1.058 90 Q CA -1.002 54.923 55.803 0.203 0.000 0.802 90 Q CB 2.583 31.438 28.738 0.195 0.000 1.303 90 Q HN 0.374 nan 8.270 nan 0.000 0.444 91 V N 0.218 120.295 119.914 0.271 0.000 2.769 91 V HA 0.524 4.645 4.120 0.003 0.000 0.312 91 V C -0.957 175.126 176.094 -0.019 0.000 1.058 91 V CA -0.962 61.456 62.300 0.197 0.000 0.952 91 V CB 1.188 33.049 31.823 0.063 0.000 1.019 91 V HN 0.765 nan 8.190 nan 0.000 0.445 92 Y N 2.093 122.103 120.300 -0.483 0.000 2.304 92 Y HA 0.443 4.995 4.550 0.003 0.000 0.328 92 Y C 0.832 176.558 175.900 -0.289 0.000 1.123 92 Y CA 0.621 58.303 58.100 -0.698 0.000 1.218 92 Y CB 0.835 38.665 38.460 -1.050 0.000 1.207 92 Y HN 1.065 nan 8.280 nan 0.000 0.495 93 D N 3.962 123.754 120.400 -1.013 0.000 2.772 93 D HA -0.197 4.445 4.640 0.003 0.000 0.233 93 D C 1.058 177.151 176.300 -0.345 0.000 1.143 93 D CA 1.864 55.442 54.000 -0.704 0.000 0.700 93 D CB -1.205 39.239 40.800 -0.593 0.000 1.076 93 D HN 1.233 nan 8.370 nan 0.000 0.430 94 G N -0.646 107.980 108.800 -0.290 0.000 2.257 94 G HA2 -0.452 3.510 3.960 0.003 0.000 0.267 94 G HA3 -0.452 3.510 3.960 0.003 0.000 0.267 94 G C 1.155 175.906 174.900 -0.250 0.000 0.984 94 G CA 1.209 46.181 45.100 -0.213 0.000 0.626 94 G HN 0.589 nan 8.290 nan 0.000 0.540 95 K N -1.517 118.654 120.400 -0.382 0.000 2.574 95 K HA 0.431 4.752 4.320 0.003 0.000 0.215 95 K C -0.168 176.045 176.600 -0.644 0.000 1.485 95 K CA -0.022 55.866 56.287 -0.666 0.000 1.006 95 K CB 0.720 32.508 32.500 -1.187 0.000 1.254 95 K HN 0.271 nan 8.250 nan 0.000 0.580 96 F N -0.546 119.452 119.950 0.080 0.000 2.529 96 F HA 0.437 4.965 4.527 0.002 0.000 0.320 96 F C 0.783 176.677 175.800 0.157 0.000 1.118 96 F CA -1.061 57.028 58.000 0.148 0.000 0.915 96 F CB 2.017 41.187 39.000 0.284 0.000 1.161 96 F HN -0.137 nan 8.300 nan 0.000 0.445 97 A N 3.115 126.151 122.820 0.361 0.000 2.044 97 A HA 0.367 4.689 4.320 0.003 0.000 0.213 97 A C 0.494 178.282 177.584 0.341 0.000 1.169 97 A CA 0.683 52.920 52.037 0.332 0.000 0.724 97 A CB -0.008 19.146 19.000 0.257 0.000 0.840 97 A HN 0.600 nan 8.150 nan 0.000 0.463 98 I N -0.888 119.863 120.570 0.301 0.000 2.465 98 I HA 0.444 4.615 4.170 0.003 0.000 0.291 98 I C -1.438 174.808 176.117 0.215 0.000 1.014 98 I CA -0.496 60.944 61.300 0.234 0.000 1.093 98 I CB 1.914 40.005 38.000 0.153 0.000 1.267 98 I HN 0.223 nan 8.210 nan 0.000 0.431 99 F N 7.060 127.026 119.950 0.027 0.000 2.612 99 F HA 0.593 5.121 4.527 0.002 0.000 0.332 99 F C -1.394 174.385 175.800 -0.035 0.000 1.167 99 F CA -0.489 57.480 58.000 -0.051 0.000 0.970 99 F CB 1.337 40.245 39.000 -0.154 0.000 1.234 99 F HN 0.035 nan 8.300 nan 0.000 0.453 100 V N 7.716 127.544 119.914 -0.142 0.000 2.482 100 V HA 0.569 4.691 4.120 0.003 0.000 0.295 100 V C -0.586 175.455 176.094 -0.088 0.000 1.026 100 V CA -0.562 61.717 62.300 -0.035 0.000 0.856 100 V CB 1.740 33.546 31.823 -0.028 0.000 1.001 100 V HN 0.861 nan 8.190 nan 0.000 0.424 101 M N 5.328 124.945 119.600 0.029 0.000 2.325 101 M HA 0.521 5.003 4.480 0.003 0.000 0.285 101 M C -0.625 175.731 176.300 0.094 0.000 1.119 101 M CA -0.533 54.809 55.300 0.070 0.000 0.959 101 M CB 1.771 34.480 32.600 0.181 0.000 1.737 101 M HN 0.568 nan 8.290 nan 0.000 0.486 102 L N 2.622 123.914 121.223 0.116 0.000 3.843 102 L HA -0.264 4.077 4.340 0.003 0.000 0.411 102 L C -0.415 176.486 176.870 0.051 0.000 1.205 102 L CA 0.225 55.130 54.840 0.109 0.000 0.945 102 L CB -1.622 40.452 42.059 0.025 0.000 1.929 102 L HN 0.754 nan 8.230 nan 0.000 0.934 103 N N 1.591 120.358 118.700 0.111 0.000 2.895 103 N HA 0.353 5.094 4.740 0.003 0.000 0.277 103 N C -0.570 175.038 175.510 0.164 0.000 1.185 103 N CA 0.370 53.435 53.050 0.025 0.000 1.106 103 N CB 0.122 38.560 38.487 -0.081 0.000 1.422 103 N HN 0.546 nan 8.380 nan 0.000 0.521 104 Y N -1.893 118.374 120.300 -0.055 0.000 2.583 104 Y HA 0.280 4.831 4.550 0.003 0.000 0.330 104 Y C -1.594 174.302 175.900 -0.007 0.000 1.185 104 Y CA -1.289 56.793 58.100 -0.030 0.000 1.107 104 Y CB 0.758 39.201 38.460 -0.028 0.000 1.344 104 Y HN -0.062 nan 8.280 nan 0.000 0.463 105 N N 2.241 120.968 118.700 0.045 0.000 2.419 105 N HA 0.174 4.915 4.740 0.003 0.000 0.264 105 N C 0.536 176.053 175.510 0.011 0.000 1.031 105 N CA 0.638 53.673 53.050 -0.024 0.000 0.951 105 N CB 1.922 40.442 38.487 0.056 0.000 1.101 105 N HN 0.985 nan 8.380 nan 0.000 0.488 106 T N 1.902 116.409 114.554 -0.077 0.000 2.531 106 T HA -0.269 4.083 4.350 0.003 0.000 0.261 106 T C 1.224 175.947 174.700 0.038 0.000 1.141 106 T CA 1.711 63.808 62.100 -0.004 0.000 1.176 106 T CB -0.389 68.457 68.868 -0.037 0.000 0.863 106 T HN 0.743 nan 8.240 nan 0.000 0.424 107 N N 1.135 119.842 118.700 0.010 0.000 2.327 107 N HA 0.265 5.007 4.740 0.003 0.000 0.231 107 N C -0.486 175.012 175.510 -0.020 0.000 1.130 107 N CA -0.176 52.875 53.050 0.002 0.000 0.845 107 N CB 0.414 38.899 38.487 -0.003 0.000 1.073 107 N HN 0.253 nan 8.380 nan 0.000 0.496 108 S N -0.917 114.770 115.700 -0.021 0.000 2.564 108 S HA 0.329 4.801 4.470 0.003 0.000 0.274 108 S C 0.580 175.127 174.600 -0.088 0.000 1.124 108 S CA -0.505 57.637 58.200 -0.096 0.000 0.869 108 S CB 1.318 64.436 63.200 -0.138 0.000 1.105 108 S HN 0.301 nan 8.310 nan 0.000 0.472 109 S N 1.181 116.770 115.700 -0.186 0.000 2.507 109 S HA -0.019 4.453 4.470 0.003 0.000 0.235 109 S C 0.473 175.045 174.600 -0.048 0.000 0.988 109 S CA 0.602 58.730 58.200 -0.121 0.000 0.944 109 S CB -0.535 62.582 63.200 -0.138 0.000 0.762 109 S HN 0.752 nan 8.310 nan 0.000 0.526 110 H N 2.898 121.965 119.070 -0.005 0.000 3.091 110 H HA 0.643 5.201 4.556 0.003 0.000 0.289 110 H C 0.379 175.732 175.328 0.042 0.000 0.995 110 H CA 0.280 56.333 56.048 0.008 0.000 1.461 110 H CB -0.167 29.592 29.762 -0.005 0.000 1.510 110 H HN 0.543 nan 8.280 nan 0.000 0.546 111 A N 3.427 126.345 122.820 0.163 0.000 2.594 111 A HA 0.277 4.599 4.320 0.003 0.000 0.296 111 A C -1.094 176.514 177.584 0.041 0.000 1.056 111 A CA -0.868 51.230 52.037 0.101 0.000 0.693 111 A CB 1.163 20.228 19.000 0.109 0.000 1.278 111 A HN 0.487 nan 8.150 nan 0.000 0.408 112 L N 2.412 123.621 121.223 -0.022 0.000 2.562 112 L HA 0.285 4.626 4.340 0.003 0.000 0.271 112 L C 1.297 178.180 176.870 0.022 0.000 1.167 112 L CA 0.662 55.483 54.840 -0.031 0.000 0.917 112 L CB -0.013 41.991 42.059 -0.092 0.000 1.187 112 L HN 0.750 nan 8.230 nan 0.000 0.482 113 R N 3.060 123.594 120.500 0.057 0.000 2.146 113 R HA 0.205 4.547 4.340 0.003 0.000 0.206 113 R C -0.086 176.267 176.300 0.088 0.000 1.049 113 R CA 0.294 56.428 56.100 0.055 0.000 1.029 113 R CB 0.292 30.631 30.300 0.064 0.000 0.949 113 R HN 0.650 nan 8.270 nan 0.000 0.471 114 Q N 0.568 120.441 119.800 0.122 0.000 2.289 114 Q HA 0.405 4.747 4.340 0.003 0.000 0.270 114 Q C -1.394 174.706 176.000 0.166 0.000 1.038 114 Q CA -0.371 55.529 55.803 0.163 0.000 0.812 114 Q CB 3.009 31.841 28.738 0.156 0.000 1.300 114 Q HN 0.038 nan 8.270 nan 0.000 0.427 115 L N 3.459 124.807 121.223 0.207 0.000 2.288 115 L HA 0.366 4.708 4.340 0.003 0.000 0.283 115 L C -0.002 176.951 176.870 0.139 0.000 1.072 115 L CA -0.359 54.598 54.840 0.195 0.000 0.862 115 L CB 0.243 42.482 42.059 0.301 0.000 1.245 115 L HN 0.392 nan 8.230 nan 0.000 0.432 116 R N 5.363 125.876 120.500 0.021 0.000 3.701 116 R HA 0.223 4.565 4.340 0.003 0.000 0.210 116 R C -0.064 176.054 176.300 -0.302 0.000 1.598 116 R CA -0.067 55.979 56.100 -0.089 0.000 1.427 116 R CB -0.050 30.210 30.300 -0.067 0.000 1.339 116 R HN 0.611 nan 8.270 nan 0.000 0.720 117 L N 1.692 122.533 121.223 -0.636 0.000 3.029 117 L HA 0.113 4.455 4.340 0.003 0.000 0.231 117 L C 1.479 177.516 176.870 -1.389 0.000 1.327 117 L CA -0.149 54.125 54.840 -0.944 0.000 1.166 117 L CB 0.101 41.554 42.059 -1.011 0.000 1.532 117 L HN 0.327 nan 8.230 nan 0.000 0.473 118 T N -3.699 110.348 114.554 -0.846 0.000 2.929 118 T HA -0.151 4.201 4.350 0.003 0.000 0.271 118 T C 1.552 176.050 174.700 -0.336 0.000 1.085 118 T CA 0.856 62.606 62.100 -0.583 0.000 1.125 118 T CB 0.058 68.782 68.868 -0.240 0.000 0.874 118 T HN 0.212 nan 8.240 nan 0.000 0.494 119 Q N -0.030 119.575 119.800 -0.326 0.000 2.247 119 Q HA 0.411 4.752 4.340 0.003 0.000 0.211 119 Q C 0.142 176.021 176.000 -0.200 0.000 0.861 119 Q CA -0.361 55.321 55.803 -0.201 0.000 0.949 119 Q CB -0.052 28.593 28.738 -0.155 0.000 1.115 119 Q HN 0.463 nan 8.270 nan 0.000 0.507 120 L N 1.192 122.246 121.223 -0.282 0.000 2.628 120 L HA -0.035 4.306 4.340 0.003 0.000 0.274 120 L C 0.671 177.498 176.870 -0.072 0.000 1.209 120 L CA 1.326 56.065 54.840 -0.168 0.000 0.930 120 L CB 0.519 42.457 42.059 -0.201 0.000 1.183 120 L HN 0.031 nan 8.230 nan 0.000 0.492 121 T N 3.564 118.060 114.554 -0.097 0.000 3.098 121 T HA 0.172 4.523 4.350 0.003 0.000 0.246 121 T C -0.295 174.362 174.700 -0.071 0.000 0.983 121 T CA 0.446 62.447 62.100 -0.166 0.000 1.094 121 T CB 0.213 68.816 68.868 -0.442 0.000 1.035 121 T HN 0.751 nan 8.240 nan 0.000 0.456 122 E N 0.535 120.732 120.200 -0.006 0.000 2.343 122 E HA 0.582 4.933 4.350 0.003 0.000 0.278 122 E C -1.703 174.969 176.600 0.121 0.000 0.910 122 E CA -0.833 55.619 56.400 0.086 0.000 0.757 122 E CB 1.852 31.630 29.700 0.130 0.000 1.218 122 E HN 0.143 nan 8.360 nan 0.000 0.435 123 I N 3.578 124.240 120.570 0.153 0.000 2.354 123 I HA 0.143 4.315 4.170 0.003 0.000 0.286 123 I C 0.891 177.091 176.117 0.139 0.000 1.007 123 I CA -0.556 60.840 61.300 0.161 0.000 1.167 123 I CB 1.072 39.195 38.000 0.205 0.000 1.320 123 I HN 0.600 nan 8.210 nan 0.000 0.458 124 L N 3.862 125.158 121.223 0.122 0.000 2.240 124 L HA 0.068 4.410 4.340 0.003 0.000 0.211 124 L C 0.604 177.530 176.870 0.095 0.000 1.106 124 L CA 1.004 55.908 54.840 0.106 0.000 0.793 124 L CB -0.212 41.902 42.059 0.091 0.000 0.927 124 L HN 0.482 nan 8.230 nan 0.000 0.446 125 S N -1.484 114.277 115.700 0.101 0.000 2.540 125 S HA 0.688 5.159 4.470 0.003 0.000 0.275 125 S C -0.124 174.540 174.600 0.107 0.000 1.123 125 S CA -0.110 58.144 58.200 0.089 0.000 0.907 125 S CB 2.048 65.293 63.200 0.076 0.000 1.081 125 S HN 0.468 nan 8.310 nan 0.000 0.476 126 G N 1.129 109.978 108.800 0.082 0.000 2.757 126 G HA2 0.281 4.243 3.960 0.003 0.000 0.638 126 G HA3 0.281 4.243 3.960 0.003 0.000 0.638 126 G C -0.051 174.922 174.900 0.121 0.000 1.344 126 G CA -0.325 44.821 45.100 0.075 0.000 0.855 126 G HN 1.147 nan 8.290 nan 0.000 0.537 127 G N -2.151 106.741 108.800 0.154 0.000 3.119 127 G HA2 0.859 4.820 3.960 0.003 0.000 0.206 127 G HA3 0.859 4.820 3.960 0.003 0.000 0.206 127 G C -0.941 174.161 174.900 0.336 0.000 1.313 127 G CA 0.162 45.400 45.100 0.229 0.000 1.010 127 G HN 1.639 nan 8.290 nan 0.000 0.578 128 V N -0.125 119.932 119.914 0.239 0.000 2.638 128 V HA 0.476 4.597 4.120 0.003 0.000 0.306 128 V C -1.684 174.255 176.094 -0.259 0.000 1.052 128 V CA -0.617 61.625 62.300 -0.097 0.000 0.885 128 V CB 1.572 33.015 31.823 -0.632 0.000 0.999 128 V HN 0.677 nan 8.190 nan 0.000 0.424 129 Y N 5.811 125.712 120.300 -0.666 0.000 2.332 129 Y HA 0.764 5.316 4.550 0.002 0.000 0.326 129 Y C -0.816 174.598 175.900 -0.811 0.000 0.978 129 Y CA -0.672 56.814 58.100 -1.022 0.000 1.205 129 Y CB 1.347 38.603 38.460 -2.006 0.000 1.131 129 Y HN 0.583 nan 8.280 nan 0.000 0.462 130 I N 6.484 126.528 120.570 -0.876 0.000 2.468 130 I HA 0.409 4.580 4.170 0.003 0.000 0.284 130 I C -1.037 174.694 176.117 -0.644 0.000 1.038 130 I CA -0.458 60.496 61.300 -0.576 0.000 1.083 130 I CB 1.778 39.568 38.000 -0.351 0.000 1.223 130 I HN 0.576 nan 8.210 nan 0.000 0.443 131 E N 4.880 124.753 120.200 -0.545 0.000 2.335 131 E HA 0.290 4.641 4.350 0.003 0.000 0.280 131 E C -1.013 175.485 176.600 -0.170 0.000 0.918 131 E CA -0.994 55.134 56.400 -0.453 0.000 0.765 131 E CB 2.254 31.496 29.700 -0.764 0.000 1.218 131 E HN 0.389 nan 8.360 nan 0.000 0.425 132 K N 1.521 121.852 120.400 -0.115 0.000 3.162 132 K HA -0.150 4.171 4.320 0.003 0.000 0.268 132 K C -1.161 175.474 176.600 0.059 0.000 1.062 132 K CA 0.375 56.658 56.287 -0.006 0.000 0.769 132 K CB -1.162 31.384 32.500 0.077 0.000 1.274 132 K HN 0.407 nan 8.250 nan 0.000 0.478 133 N N 0.929 119.601 118.700 -0.048 0.000 2.621 133 N HA 0.029 4.771 4.740 0.003 0.000 0.237 133 N C 0.215 175.595 175.510 -0.217 0.000 0.997 133 N CA -0.422 52.612 53.050 -0.027 0.000 0.918 133 N CB 1.597 40.072 38.487 -0.020 0.000 1.122 133 N HN 0.151 nan 8.380 nan 0.000 0.510 134 D N 1.952 121.994 120.400 -0.597 0.000 2.203 134 D HA -0.151 4.491 4.640 0.003 0.000 0.199 134 D C 0.405 176.502 176.300 -0.339 0.000 0.997 134 D CA 1.651 55.236 54.000 -0.691 0.000 0.863 134 D CB 0.414 40.440 40.800 -1.289 0.000 0.928 134 D HN 0.391 nan 8.370 nan 0.000 0.458 135 K N -0.869 119.398 120.400 -0.222 0.000 2.564 135 K HA 0.158 4.480 4.320 0.003 0.000 0.205 135 K C -0.475 176.075 176.600 -0.084 0.000 1.053 135 K CA -0.577 55.633 56.287 -0.128 0.000 1.072 135 K CB 1.150 33.602 32.500 -0.079 0.000 0.822 135 K HN 0.047 nan 8.250 nan 0.000 0.497 136 L N 1.149 122.320 121.223 -0.086 0.000 2.305 136 L HA 0.247 4.589 4.340 0.003 0.000 0.281 136 L C -0.586 176.237 176.870 -0.079 0.000 1.085 136 L CA -0.084 54.729 54.840 -0.046 0.000 0.813 136 L CB 0.729 42.775 42.059 -0.022 0.000 1.157 136 L HN 0.111 nan 8.230 nan 0.000 0.436 137 c N 3.640 122.190 118.600 -0.084 0.000 2.595 137 c HA 0.525 5.096 4.570 0.003 0.000 0.338 137 c C 0.654 174.638 174.090 -0.177 0.000 1.219 137 c CA -0.262 55.898 56.329 -0.281 0.000 1.811 137 c CB 0.910 43.077 42.510 -0.572 0.000 2.313 137 c HN 1.026 nan 8.230 nan 0.000 0.499 138 H N 0.107 119.174 119.070 -0.005 0.000 3.612 138 H HA -0.169 4.389 4.556 0.003 0.000 0.212 138 H C 1.258 176.554 175.328 -0.053 0.000 1.041 138 H CA 1.433 57.460 56.048 -0.036 0.000 1.205 138 H CB -1.198 28.542 29.762 -0.037 0.000 1.159 138 H HN 0.581 nan 8.280 nan 0.000 0.323 139 M N 1.329 120.984 119.600 0.091 0.000 2.557 139 M HA -0.046 4.436 4.480 0.003 0.000 0.259 139 M C 1.710 178.109 176.300 0.165 0.000 1.086 139 M CA 1.399 56.796 55.300 0.162 0.000 1.096 139 M CB -0.490 32.234 32.600 0.207 0.000 1.424 139 M HN 0.384 nan 8.290 nan 0.000 0.488 140 D N -1.615 118.821 120.400 0.060 0.000 2.350 140 D HA -0.035 4.607 4.640 0.003 0.000 0.213 140 D C 1.538 177.829 176.300 -0.015 0.000 1.031 140 D CA 1.018 55.041 54.000 0.039 0.000 0.861 140 D CB -0.643 40.157 40.800 0.000 0.000 0.926 140 D HN 0.351 nan 8.370 nan 0.000 0.520 141 T N -1.588 112.926 114.554 -0.065 0.000 3.067 141 T HA 0.133 4.485 4.350 0.003 0.000 0.257 141 T C 0.938 175.480 174.700 -0.263 0.000 1.105 141 T CA -0.326 61.696 62.100 -0.130 0.000 1.104 141 T CB -0.337 68.464 68.868 -0.111 0.000 0.925 141 T HN -0.066 nan 8.240 nan 0.000 0.498 142 I N 3.300 123.627 120.570 -0.406 0.000 2.452 142 I HA 0.158 4.330 4.170 0.003 0.000 0.287 142 I C 0.391 176.169 176.117 -0.565 0.000 1.079 142 I CA -0.289 60.565 61.300 -0.744 0.000 1.387 142 I CB 0.704 37.844 38.000 -1.433 0.000 1.404 142 I HN 0.148 nan 8.210 nan 0.000 0.522 143 D N 6.460 126.615 120.400 -0.409 0.000 2.380 143 D HA -0.104 4.538 4.640 0.003 0.000 0.270 143 D C 0.568 176.733 176.300 -0.226 0.000 1.363 143 D CA 0.225 54.093 54.000 -0.220 0.000 1.057 143 D CB 0.227 40.941 40.800 -0.142 0.000 1.096 143 D HN 0.450 nan 8.370 nan 0.000 0.524 144 W N 2.872 124.151 121.300 -0.035 0.000 2.467 144 W HA -0.015 4.647 4.660 0.003 0.000 0.275 144 W C 2.302 178.842 176.519 0.035 0.000 1.239 144 W CA -0.261 57.093 57.345 0.015 0.000 1.266 144 W CB 0.084 29.562 29.460 0.030 0.000 1.112 144 W HN 0.279 nan 8.180 nan 0.000 0.576 145 R N 0.107 120.724 120.500 0.196 0.000 2.148 145 R HA -0.134 4.208 4.340 0.003 0.000 0.227 145 R C 1.339 177.699 176.300 0.100 0.000 1.103 145 R CA 1.566 57.750 56.100 0.139 0.000 0.983 145 R CB -0.819 29.538 30.300 0.095 0.000 0.874 145 R HN 0.230 nan 8.270 nan 0.000 0.451 146 D N 0.498 120.937 120.400 0.065 0.000 2.219 146 D HA -0.067 4.575 4.640 0.003 0.000 0.205 146 D C 1.756 178.099 176.300 0.071 0.000 0.970 146 D CA 0.856 54.883 54.000 0.045 0.000 0.851 146 D CB 0.139 40.938 40.800 -0.002 0.000 0.943 146 D HN 0.176 nan 8.370 nan 0.000 0.488 147 I N -0.564 120.070 120.570 0.107 0.000 2.385 147 I HA -0.019 4.152 4.170 0.003 0.000 0.244 147 I C 0.678 176.900 176.117 0.175 0.000 1.089 147 I CA 0.016 61.405 61.300 0.147 0.000 1.410 147 I CB 0.137 38.267 38.000 0.217 0.000 1.117 147 I HN -0.204 nan 8.210 nan 0.000 0.429 148 V N 2.450 122.490 119.914 0.209 0.000 2.740 148 V HA -0.008 4.113 4.120 0.003 0.000 0.303 148 V C 1.278 177.450 176.094 0.130 0.000 1.054 148 V CA 0.573 62.983 62.300 0.183 0.000 1.106 148 V CB 0.892 32.831 31.823 0.192 0.000 0.957 148 V HN 0.323 nan 8.190 nan 0.000 0.486 149 R N 1.254 121.821 120.500 0.112 0.000 2.365 149 R HA 0.151 4.492 4.340 0.003 0.000 0.223 149 R C 0.008 176.345 176.300 0.062 0.000 0.899 149 R CA -0.260 55.889 56.100 0.082 0.000 1.059 149 R CB 0.375 30.727 30.300 0.087 0.000 1.086 149 R HN 0.664 nan 8.270 nan 0.000 0.522 150 D N 1.434 121.876 120.400 0.071 0.000 2.339 150 D HA 0.033 4.675 4.640 0.003 0.000 0.241 150 D C 1.004 177.334 176.300 0.050 0.000 1.183 150 D CA 0.028 54.061 54.000 0.054 0.000 0.859 150 D CB 1.174 42.007 40.800 0.056 0.000 1.067 150 D HN -0.058 nan 8.370 nan 0.000 0.484 151 R N 2.818 123.340 120.500 0.036 0.000 2.115 151 R HA -0.179 4.163 4.340 0.003 0.000 0.239 151 R C 0.594 176.913 176.300 0.033 0.000 1.133 151 R CA 1.690 57.809 56.100 0.031 0.000 0.935 151 R CB 0.172 30.484 30.300 0.021 0.000 0.853 151 R HN 0.405 nan 8.270 nan 0.000 0.433 152 D N -0.097 120.319 120.400 0.026 0.000 2.336 152 D HA 0.143 4.785 4.640 0.003 0.000 0.228 152 D C -0.537 175.773 176.300 0.016 0.000 1.120 152 D CA 0.348 54.359 54.000 0.019 0.000 0.839 152 D CB 0.577 41.382 40.800 0.010 0.000 0.932 152 D HN 0.356 nan 8.370 nan 0.000 0.509 153 A N 0.743 123.581 122.820 0.029 0.000 2.371 153 A HA 0.202 4.523 4.320 0.003 0.000 0.257 153 A C 0.435 178.045 177.584 0.043 0.000 1.089 153 A CA -0.261 51.793 52.037 0.027 0.000 0.794 153 A CB 0.793 19.827 19.000 0.056 0.000 1.029 153 A HN 0.004 nan 8.150 nan 0.000 0.488 154 E N 0.726 120.943 120.200 0.028 0.000 2.313 154 E HA 0.353 4.705 4.350 0.003 0.000 0.276 154 E C -0.731 175.987 176.600 0.197 0.000 1.031 154 E CA -0.025 56.435 56.400 0.100 0.000 0.857 154 E CB 0.717 30.466 29.700 0.081 0.000 1.040 154 E HN 0.433 nan 8.360 nan 0.000 0.408 155 I N 3.559 124.209 120.570 0.133 0.000 2.447 155 I HA 0.277 4.448 4.170 0.003 0.000 0.287 155 I C -0.730 175.371 176.117 -0.027 0.000 1.023 155 I CA -0.732 60.588 61.300 0.033 0.000 1.083 155 I CB 1.437 39.433 38.000 -0.007 0.000 1.245 155 I HN 0.217 nan 8.210 nan 0.000 0.434 156 V N 7.074 126.895 119.914 -0.156 0.000 2.398 156 V HA 0.436 4.557 4.120 0.003 0.000 0.282 156 V C -0.269 175.533 176.094 -0.486 0.000 1.014 156 V CA -0.564 61.577 62.300 -0.266 0.000 0.838 156 V CB 2.355 34.033 31.823 -0.240 0.000 1.018 156 V HN 0.455 nan 8.190 nan 0.000 0.432 157 V N 5.956 125.664 119.914 -0.343 0.000 2.483 157 V HA 0.793 4.915 4.120 0.003 0.000 0.297 157 V C -0.327 175.633 176.094 -0.223 0.000 1.027 157 V CA -0.595 61.514 62.300 -0.319 0.000 0.855 157 V CB 1.781 33.486 31.823 -0.196 0.000 0.995 157 V HN 1.025 nan 8.190 nan 0.000 0.424 158 K N 2.218 122.471 120.400 -0.243 0.000 2.870 158 K HA 0.400 4.721 4.320 0.003 0.000 0.290 158 K C -1.070 175.427 176.600 -0.172 0.000 1.070 158 K CA -0.819 55.364 56.287 -0.174 0.000 0.843 158 K CB 1.266 33.675 32.500 -0.152 0.000 1.475 158 K HN 0.287 nan 8.250 nan 0.000 0.359 159 D N 0.187 120.512 120.400 -0.125 0.000 2.800 159 D HA -0.137 4.505 4.640 0.003 0.000 0.232 159 D C -0.512 175.710 176.300 -0.130 0.000 1.137 159 D CA 1.065 54.997 54.000 -0.114 0.000 0.718 159 D CB -0.767 39.974 40.800 -0.099 0.000 1.084 159 D HN 0.602 nan 8.370 nan 0.000 0.432 160 N N -0.684 117.938 118.700 -0.130 0.000 2.835 160 N HA 0.445 5.187 4.740 0.003 0.000 0.293 160 N C 1.078 176.502 175.510 -0.143 0.000 1.345 160 N CA 0.144 53.113 53.050 -0.135 0.000 0.760 160 N CB -0.541 37.879 38.487 -0.112 0.000 1.130 160 N HN 0.152 nan 8.380 nan 0.000 0.441 161 G N 0.597 109.317 108.800 -0.133 0.000 2.554 161 G HA2 0.105 4.067 3.960 0.003 0.000 0.238 161 G HA3 0.105 4.067 3.960 0.003 0.000 0.238 161 G C 0.799 175.624 174.900 -0.126 0.000 1.259 161 G CA -0.147 44.869 45.100 -0.139 0.000 0.843 161 G HN 0.263 nan 8.290 nan 0.000 0.582 162 R N 0.783 121.212 120.500 -0.118 0.000 1.909 162 R HA 0.060 4.401 4.340 0.003 0.000 0.173 162 R C 1.674 177.923 176.300 -0.085 0.000 1.536 162 R CA 0.781 56.824 56.100 -0.096 0.000 1.352 162 R CB -1.197 29.049 30.300 -0.089 0.000 0.888 162 R HN 0.603 nan 8.270 nan 0.000 0.503 163 S N 1.525 117.180 115.700 -0.074 0.000 3.036 163 S HA 0.227 4.699 4.470 0.003 0.000 0.301 163 S C 0.199 174.754 174.600 -0.075 0.000 1.205 163 S CA -0.731 57.432 58.200 -0.062 0.000 0.999 163 S CB -0.465 62.707 63.200 -0.046 0.000 1.337 163 S HN 0.235 nan 8.310 nan 0.000 0.515 164 c N 5.749 124.290 118.600 -0.097 0.000 2.369 164 c HA 0.533 5.104 4.570 0.003 0.000 0.358 164 c C -1.362 172.682 174.090 -0.076 0.000 1.274 164 c CA -1.367 54.873 56.329 -0.147 0.000 1.935 164 c CB 0.198 42.553 42.510 -0.259 0.000 2.431 164 c HN 0.680 nan 8.230 nan 0.000 0.545 165 P HA 0.174 nan 4.420 nan 0.000 0.267 165 P C -2.490 174.903 177.300 0.155 0.000 1.200 165 P CA -0.604 62.541 63.100 0.075 0.000 0.772 165 P CB -0.169 31.608 31.700 0.127 0.000 0.855 166 P HA 0.059 nan 4.420 nan 0.000 0.272 166 P C -0.177 177.180 177.300 0.094 0.000 1.223 166 P CA -0.303 62.851 63.100 0.089 0.000 0.784 166 P CB 0.494 32.212 31.700 0.030 0.000 0.923 167 c N 1.714 120.342 118.600 0.047 0.000 2.634 167 c HA 0.021 4.592 4.570 0.003 0.000 0.417 167 c C 1.489 175.589 174.090 0.015 0.000 1.334 167 c CA 0.275 56.593 56.329 -0.019 0.000 1.829 167 c CB -1.978 40.500 42.510 -0.054 0.000 2.665 167 c HN 0.637 nan 8.230 nan 0.000 0.614 168 H N 1.678 120.711 119.070 -0.063 0.000 3.073 168 H HA -0.011 4.547 4.556 0.002 0.000 0.340 168 H C 1.461 176.765 175.328 -0.040 0.000 1.054 168 H CA 1.264 57.287 56.048 -0.043 0.000 1.372 168 H CB 0.709 30.444 29.762 -0.045 0.000 1.314 168 H HN 0.802 nan 8.280 nan 0.000 0.603 169 E N 2.546 122.458 120.200 -0.479 0.000 2.118 169 E HA -0.205 4.147 4.350 0.003 0.000 0.195 169 E C 2.015 178.544 176.600 -0.119 0.000 0.992 169 E CA 1.378 57.611 56.400 -0.278 0.000 0.804 169 E CB -0.276 29.235 29.700 -0.315 0.000 0.741 169 E HN 0.372 nan 8.360 nan 0.000 0.458 170 V N 1.242 121.152 119.914 -0.007 0.000 2.380 170 V HA -0.312 3.810 4.120 0.003 0.000 0.251 170 V C 2.318 178.448 176.094 0.060 0.000 1.063 170 V CA 1.802 64.176 62.300 0.123 0.000 1.055 170 V CB -0.406 31.599 31.823 0.304 0.000 0.657 170 V HN 0.588 nan 8.190 nan 0.000 0.455 171 c N -1.176 117.457 118.600 0.055 0.000 2.472 171 c HA 0.064 4.636 4.570 0.003 0.000 0.278 171 c C 1.563 175.632 174.090 -0.035 0.000 1.447 171 c CA -0.030 56.300 56.329 0.001 0.000 1.773 171 c CB -1.339 41.161 42.510 -0.017 0.000 1.793 171 c HN 0.685 nan 8.230 nan 0.000 0.544 172 K N -0.550 119.829 120.400 -0.035 0.000 3.167 172 K HA -0.126 4.196 4.320 0.003 0.000 0.272 172 K C 0.694 177.259 176.600 -0.060 0.000 1.137 172 K CA 0.500 56.760 56.287 -0.045 0.000 0.800 172 K CB -1.828 30.648 32.500 -0.040 0.000 1.253 172 K HN 0.768 nan 8.250 nan 0.000 0.497 173 G N 0.176 108.938 108.800 -0.063 0.000 2.246 173 G HA2 -0.348 3.614 3.960 0.003 0.000 0.273 173 G HA3 -0.348 3.614 3.960 0.003 0.000 0.273 173 G C -0.134 174.703 174.900 -0.104 0.000 1.055 173 G CA 0.528 45.587 45.100 -0.069 0.000 0.851 173 G HN 0.382 nan 8.290 nan 0.000 0.500 174 R N -0.283 120.134 120.500 -0.139 0.000 3.101 174 R HA 0.507 4.849 4.340 0.003 0.000 0.242 174 R C 0.065 176.190 176.300 -0.292 0.000 1.831 174 R CA 0.103 56.069 56.100 -0.223 0.000 1.321 174 R CB 0.030 30.213 30.300 -0.194 0.000 1.512 174 R HN 0.898 nan 8.270 nan 0.000 0.568 175 c N -0.802 117.593 118.600 -0.341 0.000 2.994 175 c HA 0.675 5.246 4.570 0.003 0.000 0.304 175 c C 0.334 174.157 174.090 -0.445 0.000 1.273 175 c CA -1.009 55.105 56.329 -0.358 0.000 1.537 175 c CB 0.874 43.223 42.510 -0.267 0.000 2.001 175 c HN 0.919 nan 8.230 nan 0.000 0.471 176 W N 1.545 122.754 121.300 -0.152 0.000 3.278 176 W HA 0.516 5.178 4.660 0.002 0.000 0.308 176 W C 1.067 177.523 176.519 -0.104 0.000 1.253 176 W CA 0.569 57.864 57.345 -0.083 0.000 1.759 176 W CB 0.150 29.569 29.460 -0.068 0.000 1.093 176 W HN 1.211 nan 8.180 nan 0.000 0.648 177 G N -0.373 108.349 108.800 -0.129 0.000 2.645 177 G HA2 0.355 4.317 3.960 0.003 0.000 0.292 177 G HA3 0.355 4.317 3.960 0.003 0.000 0.292 177 G C -2.463 172.124 174.900 -0.521 0.000 1.415 177 G CA -0.833 44.128 45.100 -0.231 0.000 0.785 177 G HN -0.391 nan 8.290 nan 0.000 0.483 178 P HA 0.174 nan 4.420 nan 0.000 0.251 178 P C 1.043 178.310 177.300 -0.055 0.000 1.223 178 P CA 0.502 63.535 63.100 -0.111 0.000 0.796 178 P CB 0.671 32.409 31.700 0.064 0.000 1.068 179 G N 0.518 109.269 108.800 -0.081 0.000 2.528 179 G HA2 0.274 4.236 3.960 0.003 0.000 0.289 179 G HA3 0.274 4.236 3.960 0.003 0.000 0.289 179 G C 0.962 175.748 174.900 -0.190 0.000 1.192 179 G CA -0.088 44.941 45.100 -0.119 0.000 0.921 179 G HN 0.081 nan 8.290 nan 0.000 0.512 180 S N -1.467 113.998 115.700 -0.393 0.000 2.603 180 S HA -0.018 4.453 4.470 0.003 0.000 0.229 180 S C 1.174 175.664 174.600 -0.183 0.000 0.972 180 S CA 1.164 59.068 58.200 -0.494 0.000 0.935 180 S CB -0.129 62.605 63.200 -0.777 0.000 0.769 180 S HN 0.746 nan 8.310 nan 0.000 0.536 181 E N 1.492 121.615 120.200 -0.128 0.000 2.434 181 E HA 0.040 4.391 4.350 0.003 0.000 0.207 181 E C -0.169 176.412 176.600 -0.031 0.000 0.929 181 E CA 0.160 56.518 56.400 -0.069 0.000 1.001 181 E CB -0.113 29.545 29.700 -0.070 0.000 1.016 181 E HN 0.675 nan 8.360 nan 0.000 0.502 182 D N 2.199 122.583 120.400 -0.026 0.000 3.085 182 D HA 0.092 4.733 4.640 0.003 0.000 0.243 182 D C -0.140 176.220 176.300 0.099 0.000 1.232 182 D CA -0.162 53.863 54.000 0.041 0.000 0.913 182 D CB -0.235 40.587 40.800 0.036 0.000 1.108 182 D HN 0.044 nan 8.370 nan 0.000 0.468 183 c N 0.403 119.050 118.600 0.078 0.000 2.398 183 c HA 0.294 4.865 4.570 0.003 0.000 0.364 183 c C 0.647 174.810 174.090 0.123 0.000 1.219 183 c CA -0.932 55.420 56.329 0.038 0.000 2.312 183 c CB 1.182 43.694 42.510 0.002 0.000 2.428 183 c HN 0.461 nan 8.230 nan 0.000 0.564 184 Q N 1.570 121.324 119.800 -0.076 0.000 2.288 184 Q HA 0.386 4.728 4.340 0.003 0.000 0.258 184 Q C -0.160 175.818 176.000 -0.037 0.000 0.957 184 Q CA 0.258 56.037 55.803 -0.041 0.000 0.919 184 Q CB 0.943 29.444 28.738 -0.395 0.000 1.185 184 Q HN 0.928 nan 8.270 nan 0.000 0.408 185 T N 1.927 116.492 114.554 0.018 0.000 2.779 185 T HA 0.460 4.811 4.350 0.003 0.000 0.280 185 T C 0.305 174.997 174.700 -0.014 0.000 0.987 185 T CA -0.838 61.258 62.100 -0.007 0.000 0.966 185 T CB 0.603 69.475 68.868 0.007 0.000 0.933 185 T HN 0.524 nan 8.240 nan 0.000 0.442 186 L N 2.955 124.165 121.223 -0.022 0.000 2.516 186 L HA 0.161 4.502 4.340 0.003 0.000 0.288 186 L C 1.434 178.312 176.870 0.013 0.000 1.246 186 L CA -0.210 54.622 54.840 -0.013 0.000 0.844 186 L CB -0.063 41.989 42.059 -0.011 0.000 1.106 186 L HN 0.866 nan 8.230 nan 0.000 0.509 187 T N -0.787 113.784 114.554 0.029 0.000 3.098 187 T HA 0.082 4.433 4.350 0.003 0.000 0.246 187 T C 0.553 175.326 174.700 0.122 0.000 0.983 187 T CA 0.029 62.172 62.100 0.072 0.000 1.094 187 T CB 0.306 69.198 68.868 0.039 0.000 1.035 187 T HN 0.382 nan 8.240 nan 0.000 0.456 188 K N 3.121 123.576 120.400 0.091 0.000 2.270 188 K HA 0.412 4.734 4.320 0.003 0.000 0.276 188 K C 0.106 176.742 176.600 0.059 0.000 1.023 188 K CA -0.071 56.268 56.287 0.088 0.000 0.955 188 K CB 1.017 33.555 32.500 0.064 0.000 0.975 188 K HN 0.353 nan 8.250 nan 0.000 0.471 189 T N -1.252 113.333 114.554 0.051 0.000 2.940 189 T HA 0.501 4.852 4.350 0.003 0.000 0.288 189 T C 0.389 175.093 174.700 0.007 0.000 1.045 189 T CA -0.951 61.163 62.100 0.022 0.000 1.018 189 T CB 0.717 69.591 68.868 0.010 0.000 1.151 189 T HN 0.340 nan 8.240 nan 0.000 0.529 190 I N 0.965 121.532 120.570 -0.004 0.000 2.556 190 I HA 0.219 4.391 4.170 0.003 0.000 0.284 190 I C 0.472 176.576 176.117 -0.021 0.000 1.114 190 I CA -0.443 60.850 61.300 -0.011 0.000 1.418 190 I CB 0.195 38.188 38.000 -0.011 0.000 1.394 190 I HN 0.634 nan 8.210 nan 0.000 0.552 191 c N 5.449 124.035 118.600 -0.022 0.000 2.364 191 c HA 0.660 5.232 4.570 0.003 0.000 0.356 191 c C 0.844 174.918 174.090 -0.027 0.000 1.201 191 c CA -0.682 55.630 56.329 -0.029 0.000 2.227 191 c CB 0.902 43.398 42.510 -0.024 0.000 2.387 191 c HN 0.851 nan 8.230 nan 0.000 0.546 192 A N 4.482 127.282 122.820 -0.033 0.000 2.440 192 A HA 0.383 4.705 4.320 0.003 0.000 0.251 192 A C -1.043 176.532 177.584 -0.014 0.000 1.089 192 A CA -0.638 51.383 52.037 -0.027 0.000 0.779 192 A CB -0.191 18.788 19.000 -0.035 0.000 1.022 192 A HN 0.758 nan 8.150 nan 0.000 0.492 193 P HA -0.282 nan 4.420 nan 0.000 0.222 193 P C 1.438 178.740 177.300 0.003 0.000 1.155 193 P CA 1.907 65.005 63.100 -0.003 0.000 0.890 193 P CB 0.188 31.886 31.700 -0.004 0.000 0.790 194 Q N -0.938 118.862 119.800 -0.000 0.000 2.197 194 Q HA -0.171 4.171 4.340 0.003 0.000 0.207 194 Q C 1.873 177.882 176.000 0.016 0.000 0.984 194 Q CA 1.899 57.705 55.803 0.004 0.000 0.869 194 Q CB -1.113 27.622 28.738 -0.004 0.000 0.906 194 Q HN 0.223 nan 8.270 nan 0.000 0.426 195 c N 0.753 119.364 118.600 0.018 0.000 2.468 195 c HA 0.068 4.640 4.570 0.003 0.000 0.277 195 c C 0.090 174.233 174.090 0.088 0.000 1.400 195 c CA 0.338 56.694 56.329 0.045 0.000 1.770 195 c CB -1.294 41.234 42.510 0.030 0.000 1.905 195 c HN 0.679 nan 8.230 nan 0.000 0.519 196 N N 0.430 119.165 118.700 0.057 0.000 2.688 196 N HA -0.205 4.537 4.740 0.003 0.000 0.258 196 N C 0.873 176.387 175.510 0.006 0.000 1.016 196 N CA 0.755 53.840 53.050 0.060 0.000 0.747 196 N CB -1.466 37.081 38.487 0.100 0.000 0.895 196 N HN 0.839 nan 8.380 nan 0.000 0.543 197 G N -0.286 108.471 108.800 -0.072 0.000 2.304 197 G HA2 -0.329 3.632 3.960 0.003 0.000 0.252 197 G HA3 -0.329 3.632 3.960 0.003 0.000 0.252 197 G C -0.153 174.583 174.900 -0.274 0.000 1.014 197 G CA 0.559 45.532 45.100 -0.211 0.000 0.619 197 G HN 0.767 nan 8.290 nan 0.000 0.525 198 H N 0.895 119.977 119.070 0.021 0.000 2.724 198 H HA 0.532 5.090 4.556 0.002 0.000 0.278 198 H C 0.598 175.943 175.328 0.027 0.000 1.159 198 H CA 0.394 56.456 56.048 0.024 0.000 1.254 198 H CB 0.254 30.025 29.762 0.015 0.000 1.412 198 H HN 0.851 nan 8.280 nan 0.000 0.488 199 c N 1.752 120.417 118.600 0.108 0.000 3.288 199 c HA 0.429 5.001 4.570 0.003 0.000 0.318 199 c C 0.755 174.918 174.090 0.121 0.000 1.356 199 c CA -1.109 55.267 56.329 0.078 0.000 1.359 199 c CB 0.068 42.562 42.510 -0.026 0.000 1.688 199 c HN 0.744 nan 8.230 nan 0.000 0.467 200 F N 0.247 120.192 119.950 -0.008 0.000 2.695 200 F HA 0.700 5.228 4.527 0.002 0.000 0.303 200 F C 0.572 176.388 175.800 0.026 0.000 1.091 200 F CA 0.280 58.280 58.000 -0.000 0.000 1.300 200 F CB -0.025 38.959 39.000 -0.027 0.000 1.071 200 F HN 1.133 nan 8.300 nan 0.000 0.578 201 G N 0.068 108.691 108.800 -0.294 0.000 2.550 201 G HA2 0.386 4.348 3.960 0.003 0.000 0.293 201 G HA3 0.386 4.348 3.960 0.003 0.000 0.293 201 G C -2.761 172.026 174.900 -0.188 0.000 1.402 201 G CA -0.983 43.979 45.100 -0.230 0.000 0.784 201 G HN -0.304 nan 8.290 nan 0.000 0.482 202 P HA 0.036 nan 4.420 nan 0.000 0.222 202 P C 0.262 177.502 177.300 -0.100 0.000 1.153 202 P CA 0.470 63.517 63.100 -0.089 0.000 0.798 202 P CB 0.149 31.814 31.700 -0.059 0.000 0.796 203 N N 0.027 118.646 118.700 -0.135 0.000 2.515 203 N HA 0.110 4.852 4.740 0.003 0.000 0.279 203 N C -1.861 173.583 175.510 -0.109 0.000 1.164 203 N CA -1.676 51.309 53.050 -0.108 0.000 0.982 203 N CB 0.019 38.444 38.487 -0.102 0.000 1.170 203 N HN -0.052 nan 8.380 nan 0.000 0.474 204 P HA -0.109 nan 4.420 nan 0.000 0.223 204 P C 0.682 177.950 177.300 -0.052 0.000 1.144 204 P CA 1.127 64.195 63.100 -0.053 0.000 0.783 204 P CB 0.082 31.762 31.700 -0.034 0.000 0.771 205 N N -0.849 117.812 118.700 -0.065 0.000 2.398 205 N HA -0.053 4.688 4.740 0.003 0.000 0.188 205 N C 0.724 176.197 175.510 -0.063 0.000 1.122 205 N CA 0.221 53.246 53.050 -0.041 0.000 0.866 205 N CB -0.195 38.279 38.487 -0.021 0.000 0.970 205 N HN 0.281 nan 8.380 nan 0.000 0.462 206 Q N 0.913 120.596 119.800 -0.195 0.000 2.286 206 Q HA 0.249 4.590 4.340 0.003 0.000 0.281 206 Q C -0.595 175.292 176.000 -0.188 0.000 0.897 206 Q CA -0.413 55.106 55.803 -0.474 0.000 1.023 206 Q CB 0.446 28.582 28.738 -1.004 0.000 1.151 206 Q HN 0.304 nan 8.270 nan 0.000 0.445 207 c N 0.629 119.245 118.600 0.026 0.000 2.637 207 c HA 0.171 4.743 4.570 0.003 0.000 0.418 207 c C 1.093 175.301 174.090 0.196 0.000 1.319 207 c CA -0.952 55.428 56.329 0.084 0.000 1.949 207 c CB -0.140 42.398 42.510 0.046 0.000 2.639 207 c HN 0.599 nan 8.230 nan 0.000 0.594 208 c N 2.713 121.423 118.600 0.184 0.000 2.676 208 c HA 0.120 4.691 4.570 0.003 0.000 0.416 208 c C 0.879 175.025 174.090 0.093 0.000 1.299 208 c CA 0.008 56.432 56.329 0.158 0.000 2.048 208 c CB -0.999 41.586 42.510 0.126 0.000 2.713 208 c HN 0.961 nan 8.230 nan 0.000 0.624 209 H N 1.665 120.730 119.070 -0.009 0.000 3.016 209 H HA -0.034 4.524 4.556 0.002 0.000 0.345 209 H C 1.145 176.436 175.328 -0.062 0.000 1.066 209 H CA 0.920 56.951 56.048 -0.029 0.000 1.390 209 H CB 0.645 30.381 29.762 -0.043 0.000 1.344 209 H HN 0.661 nan 8.280 nan 0.000 0.605 210 D N 2.830 123.035 120.400 -0.326 0.000 2.182 210 D HA -0.136 4.506 4.640 0.003 0.000 0.201 210 D C 1.068 177.347 176.300 -0.035 0.000 0.986 210 D CA 1.090 54.985 54.000 -0.175 0.000 0.847 210 D CB 0.155 40.836 40.800 -0.198 0.000 0.942 210 D HN 0.629 nan 8.370 nan 0.000 0.467 211 E N -0.110 120.226 120.200 0.226 0.000 2.494 211 E HA 0.010 4.362 4.350 0.003 0.000 0.193 211 E C 0.206 176.801 176.600 -0.008 0.000 1.074 211 E CA -0.060 56.415 56.400 0.125 0.000 0.867 211 E CB -0.243 29.581 29.700 0.208 0.000 0.924 211 E HN 0.230 nan 8.360 nan 0.000 0.502 212 c N 0.454 119.035 118.600 -0.032 0.000 2.539 212 c HA 0.446 5.017 4.570 0.003 0.000 0.392 212 c C 1.899 175.926 174.090 -0.104 0.000 1.269 212 c CA -0.198 56.096 56.329 -0.059 0.000 2.250 212 c CB 1.041 43.526 42.510 -0.041 0.000 2.584 212 c HN 0.397 nan 8.230 nan 0.000 0.589 213 A N 2.353 125.158 122.820 -0.025 0.000 1.943 213 A HA 0.415 4.736 4.320 0.003 0.000 0.213 213 A C 1.384 179.082 177.584 0.191 0.000 1.181 213 A CA 1.317 53.366 52.037 0.020 0.000 0.653 213 A CB -0.420 18.590 19.000 0.016 0.000 0.833 213 A HN 1.009 nan 8.150 nan 0.000 0.451 214 G N -1.388 107.543 108.800 0.218 0.000 3.267 214 G HA2 0.482 4.444 3.960 0.003 0.000 0.200 214 G HA3 0.482 4.444 3.960 0.003 0.000 0.200 214 G C 0.533 175.593 174.900 0.267 0.000 1.603 214 G CA 0.326 45.589 45.100 0.272 0.000 0.753 214 G HN 0.700 nan 8.290 nan 0.000 0.755 215 G N -1.494 107.439 108.800 0.220 0.000 2.568 215 G HA2 0.539 4.501 3.960 0.003 0.000 0.293 215 G HA3 0.539 4.501 3.960 0.003 0.000 0.293 215 G C -0.313 174.110 174.900 -0.795 0.000 1.347 215 G CA 0.215 45.289 45.100 -0.043 0.000 1.039 215 G HN 1.569 nan 8.290 nan 0.000 0.523 216 c N -3.158 114.841 118.600 -1.002 0.000 3.314 216 c HA 0.767 5.339 4.570 0.003 0.000 0.344 216 c C 1.000 174.700 174.090 -0.650 0.000 1.461 216 c CA 0.070 55.739 56.329 -1.100 0.000 1.249 216 c CB 1.221 43.475 42.510 -0.426 0.000 1.632 216 c HN 1.029 nan 8.230 nan 0.000 0.452 217 S N -0.441 115.023 115.700 -0.393 0.000 2.554 217 S HA 0.625 5.096 4.470 0.003 0.000 0.226 217 S C 0.451 174.753 174.600 -0.497 0.000 0.980 217 S CA 0.494 58.610 58.200 -0.140 0.000 0.939 217 S CB -0.195 63.018 63.200 0.022 0.000 0.832 217 S HN 2.460 nan 8.310 nan 0.000 0.486 218 G N 1.567 109.780 108.800 -0.977 0.000 2.322 218 G HA2 0.431 4.393 3.960 0.003 0.000 0.295 218 G HA3 0.431 4.393 3.960 0.003 0.000 0.295 218 G C -3.134 171.202 174.900 -0.940 0.000 1.369 218 G CA -0.535 43.616 45.100 -1.582 0.000 0.821 218 G HN -0.088 nan 8.290 nan 0.000 0.536 219 P HA 0.162 nan 4.420 nan 0.000 0.255 219 P C 0.025 177.321 177.300 -0.006 0.000 1.248 219 P CA 0.376 63.436 63.100 -0.068 0.000 0.807 219 P CB 0.581 32.330 31.700 0.083 0.000 1.150 220 Q N 1.059 120.796 119.800 -0.106 0.000 2.260 220 Q HA 0.081 4.422 4.340 0.003 0.000 0.238 220 Q C 0.914 176.811 176.000 -0.171 0.000 0.948 220 Q CA 0.132 55.882 55.803 -0.088 0.000 0.895 220 Q CB 0.614 29.285 28.738 -0.111 0.000 1.218 220 Q HN 0.104 nan 8.270 nan 0.000 0.470 221 D N -1.072 119.117 120.400 -0.352 0.000 2.378 221 D HA -0.104 4.537 4.640 0.003 0.000 0.227 221 D C 0.972 177.119 176.300 -0.256 0.000 1.012 221 D CA 0.784 54.457 54.000 -0.545 0.000 0.905 221 D CB -0.122 40.144 40.800 -0.891 0.000 0.895 221 D HN 0.529 nan 8.370 nan 0.000 0.532 222 T N -4.143 110.305 114.554 -0.177 0.000 3.122 222 T HA 0.113 4.464 4.350 0.003 0.000 0.250 222 T C 0.601 175.242 174.700 -0.099 0.000 1.067 222 T CA -0.343 61.690 62.100 -0.112 0.000 0.966 222 T CB 0.156 68.972 68.868 -0.088 0.000 1.002 222 T HN -0.100 nan 8.240 nan 0.000 0.542 223 D N 0.697 121.016 120.400 -0.135 0.000 2.398 223 D HA 0.219 4.860 4.640 0.003 0.000 0.210 223 D C 0.337 176.524 176.300 -0.187 0.000 1.094 223 D CA -0.246 53.662 54.000 -0.154 0.000 0.839 223 D CB 0.033 40.691 40.800 -0.237 0.000 0.963 223 D HN 0.437 nan 8.370 nan 0.000 0.506 224 c N 0.532 119.043 118.600 -0.148 0.000 2.689 224 c HA 0.146 4.717 4.570 0.003 0.000 0.409 224 c C 2.119 176.185 174.090 -0.040 0.000 1.293 224 c CA -0.521 55.710 56.329 -0.163 0.000 2.136 224 c CB -0.558 41.907 42.510 -0.075 0.000 2.719 224 c HN 0.256 nan 8.230 nan 0.000 0.644 225 F N 1.183 121.150 119.950 0.029 0.000 2.293 225 F HA 0.188 4.717 4.527 0.003 0.000 0.297 225 F C 1.435 177.249 175.800 0.024 0.000 1.089 225 F CA 0.642 58.660 58.000 0.029 0.000 1.377 225 F CB -0.011 39.017 39.000 0.047 0.000 1.051 225 F HN 0.712 nan 8.300 nan 0.000 0.511 226 A N -1.138 121.791 122.820 0.182 0.000 2.574 226 A HA 0.534 4.856 4.320 0.003 0.000 0.297 226 A C -1.390 176.215 177.584 0.036 0.000 1.062 226 A CA -0.824 51.273 52.037 0.101 0.000 0.686 226 A CB 0.458 19.524 19.000 0.110 0.000 1.285 226 A HN 0.062 nan 8.150 nan 0.000 0.403 227 c N 1.072 119.675 118.600 0.006 0.000 2.463 227 c HA 0.446 5.017 4.570 0.003 0.000 0.380 227 c C 2.067 176.102 174.090 -0.092 0.000 1.264 227 c CA -0.224 56.085 56.329 -0.032 0.000 2.161 227 c CB 0.688 43.193 42.510 -0.009 0.000 2.515 227 c HN 1.141 nan 8.230 nan 0.000 0.565 228 R N 0.281 120.677 120.500 -0.173 0.000 2.073 228 R HA -0.036 4.305 4.340 0.003 0.000 0.229 228 R C 1.538 177.558 176.300 -0.467 0.000 1.120 228 R CA 1.556 57.441 56.100 -0.357 0.000 0.967 228 R CB -0.012 29.970 30.300 -0.530 0.000 0.862 228 R HN 0.811 nan 8.270 nan 0.000 0.436 229 H N -2.280 116.698 119.070 -0.155 0.000 2.917 229 H HA 0.236 4.793 4.556 0.002 0.000 0.247 229 H C -0.179 174.770 175.328 -0.632 0.000 1.237 229 H CA 0.364 56.187 56.048 -0.374 0.000 1.711 229 H CB -0.106 29.536 29.762 -0.200 0.000 1.466 229 H HN -0.081 nan 8.280 nan 0.000 0.560 230 F N 0.842 120.886 119.950 0.156 0.000 2.561 230 F HA 0.308 4.836 4.527 0.002 0.000 0.321 230 F C 0.295 176.122 175.800 0.045 0.000 1.065 230 F CA -1.081 56.965 58.000 0.077 0.000 0.934 230 F CB 1.302 40.340 39.000 0.062 0.000 1.215 230 F HN 0.065 nan 8.300 nan 0.000 0.471 231 N N 1.232 120.059 118.700 0.212 0.000 2.417 231 N HA 0.198 4.940 4.740 0.003 0.000 0.274 231 N C -1.935 173.633 175.510 0.098 0.000 0.987 231 N CA -0.465 52.652 53.050 0.112 0.000 0.912 231 N CB 1.215 39.743 38.487 0.069 0.000 1.177 231 N HN 0.569 nan 8.380 nan 0.000 0.490 232 D N 2.047 122.483 120.400 0.060 0.000 2.464 232 D HA 0.297 4.938 4.640 0.003 0.000 0.243 232 D C -0.539 175.764 176.300 0.005 0.000 1.104 232 D CA -0.156 53.861 54.000 0.028 0.000 0.883 232 D CB 0.007 40.815 40.800 0.013 0.000 1.050 232 D HN 0.516 nan 8.370 nan 0.000 0.524 233 S N 2.326 118.030 115.700 0.007 0.000 3.533 233 S HA -0.153 4.318 4.470 0.003 0.000 0.347 233 S C 1.280 175.877 174.600 -0.005 0.000 1.101 233 S CA 1.162 59.361 58.200 -0.002 0.000 1.009 233 S CB -1.537 61.654 63.200 -0.015 0.000 0.916 233 S HN 1.144 nan 8.310 nan 0.000 0.496 234 G N -0.802 107.999 108.800 0.002 0.000 2.253 234 G HA2 0.145 4.106 3.960 0.003 0.000 0.209 234 G HA3 0.145 4.106 3.960 0.003 0.000 0.209 234 G C 0.046 174.933 174.900 -0.023 0.000 0.997 234 G CA 0.109 45.206 45.100 -0.005 0.000 0.640 234 G HN 1.829 nan 8.290 nan 0.000 0.496 235 A N 0.147 122.949 122.820 -0.029 0.000 2.301 235 A HA 0.600 4.922 4.320 0.003 0.000 0.298 235 A C 0.669 178.234 177.584 -0.032 0.000 1.185 235 A CA 0.280 52.284 52.037 -0.055 0.000 0.830 235 A CB 0.417 19.380 19.000 -0.062 0.000 1.112 235 A HN 1.005 nan 8.150 nan 0.000 0.508 236 c N 3.132 121.694 118.600 -0.063 0.000 2.566 236 c HA 0.513 5.085 4.570 0.003 0.000 0.393 236 c C 0.615 174.713 174.090 0.013 0.000 1.309 236 c CA -0.366 55.954 56.329 -0.015 0.000 1.801 236 c CB -1.291 41.199 42.510 -0.034 0.000 2.493 236 c HN 0.727 nan 8.230 nan 0.000 0.575 237 V N 2.332 122.311 119.914 0.108 0.000 2.876 237 V HA 0.534 4.655 4.120 0.003 0.000 0.312 237 V C -2.405 173.844 176.094 0.259 0.000 1.085 237 V CA -1.909 60.478 62.300 0.144 0.000 0.945 237 V CB 1.760 33.645 31.823 0.102 0.000 1.017 237 V HN 0.448 nan 8.190 nan 0.000 0.428 238 P HA 0.030 nan 4.420 nan 0.000 0.223 238 P C 0.175 177.647 177.300 0.286 0.000 1.151 238 P CA 0.967 64.207 63.100 0.234 0.000 0.787 238 P CB 0.139 31.916 31.700 0.128 0.000 0.788 239 R N -2.837 117.788 120.500 0.207 0.000 2.733 239 R HA 0.481 4.823 4.340 0.003 0.000 0.272 239 R C -1.474 174.746 176.300 -0.133 0.000 1.029 239 R CA -0.749 55.356 56.100 0.009 0.000 0.888 239 R CB 0.085 30.356 30.300 -0.048 0.000 1.251 239 R HN -0.247 nan 8.270 nan 0.000 0.464 240 c N 1.612 119.995 118.600 -0.361 0.000 2.459 240 c HA 0.425 4.997 4.570 0.003 0.000 0.374 240 c C -2.084 171.906 174.090 -0.166 0.000 1.241 240 c CA -1.101 55.076 56.329 -0.254 0.000 2.352 240 c CB 0.559 42.869 42.510 -0.334 0.000 2.490 240 c HN 0.549 nan 8.230 nan 0.000 0.583 241 P HA -0.005 nan 4.420 nan 0.000 0.253 241 P C -0.192 177.033 177.300 -0.125 0.000 1.170 241 P CA 0.635 63.678 63.100 -0.095 0.000 0.806 241 P CB 0.067 31.725 31.700 -0.070 0.000 0.775 242 Q N 5.135 124.878 119.800 -0.095 0.000 2.524 242 Q HA 0.005 4.347 4.340 0.003 0.000 0.246 242 Q C -1.395 174.557 176.000 -0.080 0.000 1.063 242 Q CA -1.072 54.679 55.803 -0.086 0.000 0.945 242 Q CB -0.417 28.288 28.738 -0.054 0.000 1.292 242 Q HN 0.330 nan 8.270 nan 0.000 0.518 243 P HA 0.047 nan 4.420 nan 0.000 0.229 243 P C -0.254 177.030 177.300 -0.027 0.000 1.160 243 P CA 0.980 64.058 63.100 -0.036 0.000 0.777 243 P CB 0.392 32.105 31.700 0.022 0.000 0.814 244 L N -0.921 120.289 121.223 -0.022 0.000 2.406 244 L HA 0.437 4.778 4.340 0.003 0.000 0.272 244 L C -0.863 176.001 176.870 -0.010 0.000 0.980 244 L CA -0.822 54.008 54.840 -0.017 0.000 0.831 244 L CB 2.906 44.960 42.059 -0.008 0.000 1.253 244 L HN -0.418 nan 8.230 nan 0.000 0.406 245 V N 2.504 122.411 119.914 -0.012 0.000 2.604 245 V HA 0.318 4.440 4.120 0.003 0.000 0.305 245 V C -0.757 175.354 176.094 0.027 0.000 1.043 245 V CA -0.716 61.590 62.300 0.011 0.000 0.888 245 V CB 2.324 34.148 31.823 0.001 0.000 0.995 245 V HN 0.499 nan 8.190 nan 0.000 0.429 246 Y N 4.730 124.989 120.300 -0.068 0.000 2.511 246 Y HA 0.240 4.791 4.550 0.002 0.000 0.332 246 Y C 0.452 176.300 175.900 -0.086 0.000 1.177 246 Y CA 0.516 58.568 58.100 -0.079 0.000 1.422 246 Y CB 0.588 38.994 38.460 -0.090 0.000 1.271 246 Y HN 0.756 nan 8.280 nan 0.000 0.550 247 N N 4.888 123.292 118.700 -0.493 0.000 2.442 247 N HA 0.184 4.926 4.740 0.003 0.000 0.274 247 N C -0.195 175.015 175.510 -0.499 0.000 1.002 247 N CA -0.610 52.238 53.050 -0.336 0.000 0.910 247 N CB 1.311 39.645 38.487 -0.255 0.000 1.244 247 N HN 0.712 nan 8.380 nan 0.000 0.492 248 K N 2.507 122.756 120.400 -0.251 0.000 2.147 248 K HA -0.020 4.301 4.320 0.003 0.000 0.205 248 K C 1.032 177.199 176.600 -0.723 0.000 1.049 248 K CA 0.869 56.958 56.287 -0.330 0.000 0.936 248 K CB 0.108 32.520 32.500 -0.147 0.000 0.722 248 K HN 0.481 nan 8.250 nan 0.000 0.446 249 L N 0.137 121.089 121.223 -0.453 0.000 2.179 249 L HA -0.038 4.303 4.340 0.003 0.000 0.208 249 L C 2.060 178.805 176.870 -0.208 0.000 1.096 249 L CA 1.522 56.166 54.840 -0.326 0.000 0.779 249 L CB -1.070 40.915 42.059 -0.124 0.000 0.922 249 L HN 0.097 nan 8.230 nan 0.000 0.443 250 T N -1.404 113.020 114.554 -0.216 0.000 3.037 250 T HA 0.124 4.475 4.350 0.003 0.000 0.251 250 T C 0.427 175.253 174.700 0.210 0.000 1.079 250 T CA -0.255 61.867 62.100 0.037 0.000 1.067 250 T CB -0.031 68.793 68.868 -0.074 0.000 0.948 250 T HN 0.222 nan 8.240 nan 0.000 0.496 251 F N 1.768 121.587 119.950 -0.219 0.000 3.093 251 F HA -0.207 4.321 4.527 0.003 0.000 0.287 251 F C 0.363 175.849 175.800 -0.524 0.000 0.882 251 F CA 0.542 58.388 58.000 -0.257 0.000 1.063 251 F CB -2.026 37.025 39.000 0.085 0.000 1.097 251 F HN 0.349 nan 8.300 nan 0.000 0.604 252 Q N -0.853 118.514 119.800 -0.721 0.000 2.578 252 Q HA 0.588 4.930 4.340 0.003 0.000 0.284 252 Q C -1.021 174.712 176.000 -0.445 0.000 0.960 252 Q CA -1.254 54.242 55.803 -0.512 0.000 0.809 252 Q CB 1.402 29.893 28.738 -0.411 0.000 1.462 252 Q HN 0.234 nan 8.270 nan 0.000 0.392 253 L N 1.787 122.889 121.223 -0.201 0.000 2.485 253 L HA 0.211 4.553 4.340 0.003 0.000 0.275 253 L C 0.164 176.968 176.870 -0.109 0.000 1.207 253 L CA 0.505 55.286 54.840 -0.098 0.000 0.855 253 L CB 0.160 42.201 42.059 -0.029 0.000 1.114 253 L HN 0.573 nan 8.230 nan 0.000 0.485 254 E N 3.293 123.440 120.200 -0.089 0.000 2.317 254 E HA 0.384 4.736 4.350 0.003 0.000 0.270 254 E C -2.476 174.090 176.600 -0.056 0.000 0.885 254 E CA -2.117 54.237 56.400 -0.076 0.000 0.760 254 E CB 1.884 31.529 29.700 -0.092 0.000 1.227 254 E HN 0.224 nan 8.360 nan 0.000 0.434 255 P HA -0.093 nan 4.420 nan 0.000 0.261 255 P C -0.248 177.013 177.300 -0.066 0.000 1.165 255 P CA 0.365 63.439 63.100 -0.045 0.000 0.759 255 P CB 0.308 31.984 31.700 -0.039 0.000 0.772 256 N N 4.876 123.534 118.700 -0.069 0.000 2.457 256 N HA 0.185 4.926 4.740 0.003 0.000 0.250 256 N C -1.681 173.740 175.510 -0.148 0.000 0.982 256 N CA -2.645 50.349 53.050 -0.094 0.000 0.941 256 N CB 0.674 39.124 38.487 -0.060 0.000 1.120 256 N HN 0.151 nan 8.380 nan 0.000 0.505 257 P HA -0.052 nan 4.420 nan 0.000 0.239 257 P C -0.296 176.761 177.300 -0.405 0.000 1.184 257 P CA 1.116 64.016 63.100 -0.333 0.000 0.760 257 P CB 0.016 31.464 31.700 -0.419 0.000 0.884 258 H N -1.666 117.362 119.070 -0.071 0.000 2.528 258 H HA 0.163 4.721 4.556 0.003 0.000 0.282 258 H C 0.277 175.526 175.328 -0.131 0.000 1.097 258 H CA -0.340 55.657 56.048 -0.085 0.000 1.121 258 H CB -0.094 29.627 29.762 -0.069 0.000 1.590 258 H HN -0.030 nan 8.280 nan 0.000 0.553 259 T N 1.754 116.248 114.554 -0.100 0.000 2.946 259 T HA 0.018 4.369 4.350 0.003 0.000 0.312 259 T C 0.382 174.869 174.700 -0.355 0.000 1.066 259 T CA 0.175 62.132 62.100 -0.239 0.000 1.138 259 T CB 1.022 69.692 68.868 -0.329 0.000 1.014 259 T HN 0.248 nan 8.240 nan 0.000 0.544 260 K N 1.363 121.513 120.400 -0.417 0.000 2.395 260 K HA 0.459 4.780 4.320 0.003 0.000 0.247 260 K C -1.086 175.142 176.600 -0.619 0.000 0.973 260 K CA -0.798 55.211 56.287 -0.463 0.000 0.828 260 K CB 1.948 34.328 32.500 -0.201 0.000 1.272 260 K HN 0.582 nan 8.250 nan 0.000 0.439 261 Y N 0.583 120.866 120.300 -0.028 0.000 2.496 261 Y HA 0.228 4.780 4.550 0.003 0.000 0.331 261 Y C 0.419 176.315 175.900 -0.008 0.000 1.140 261 Y CA -0.962 57.123 58.100 -0.025 0.000 1.166 261 Y CB 1.329 39.788 38.460 -0.003 0.000 1.249 261 Y HN 0.267 nan 8.280 nan 0.000 0.479 262 Q N 1.892 121.781 119.800 0.148 0.000 2.323 262 Q HA 0.095 4.437 4.340 0.003 0.000 0.257 262 Q C -1.549 174.629 176.000 0.297 0.000 1.022 262 Q CA -0.292 55.594 55.803 0.139 0.000 0.919 262 Q CB 0.616 29.402 28.738 0.080 0.000 1.220 262 Q HN 0.529 nan 8.270 nan 0.000 0.427 263 Y N 3.276 123.651 120.300 0.124 0.000 2.712 263 Y HA 0.408 4.959 4.550 0.002 0.000 0.328 263 Y C 0.642 176.606 175.900 0.107 0.000 0.995 263 Y CA 0.104 58.252 58.100 0.080 0.000 1.283 263 Y CB 0.056 38.503 38.460 -0.022 0.000 1.092 263 Y HN 0.887 nan 8.280 nan 0.000 0.519 264 G N 3.751 112.550 108.800 -0.002 0.000 2.556 264 G HA2 -0.317 3.645 3.960 0.003 0.000 0.283 264 G HA3 -0.317 3.645 3.960 0.003 0.000 0.283 264 G C 0.949 175.911 174.900 0.103 0.000 1.177 264 G CA 0.066 45.121 45.100 -0.074 0.000 0.978 264 G HN 1.376 nan 8.290 nan 0.000 0.554 265 G N -0.670 108.140 108.800 0.016 0.000 3.284 265 G HA2 0.496 4.458 3.960 0.003 0.000 0.236 265 G HA3 0.496 4.458 3.960 0.003 0.000 0.236 265 G C 0.214 175.241 174.900 0.211 0.000 1.158 265 G CA 1.044 46.177 45.100 0.054 0.000 0.774 265 G HN 1.144 nan 8.290 nan 0.000 0.545 266 V N 0.890 120.905 119.914 0.168 0.000 2.427 266 V HA 0.247 4.369 4.120 0.003 0.000 0.286 266 V C 0.066 176.274 176.094 0.189 0.000 1.034 266 V CA -1.053 61.340 62.300 0.155 0.000 0.893 266 V CB 1.381 33.250 31.823 0.077 0.000 0.982 266 V HN 0.148 nan 8.190 nan 0.000 0.452 267 c N 5.834 124.518 118.600 0.139 0.000 2.482 267 c HA 0.561 5.132 4.570 0.003 0.000 0.378 267 c C 0.482 174.605 174.090 0.055 0.000 1.284 267 c CA -0.644 55.721 56.329 0.059 0.000 1.826 267 c CB -0.492 42.020 42.510 0.003 0.000 2.473 267 c HN 0.759 nan 8.230 nan 0.000 0.562 268 V N 1.795 121.751 119.914 0.070 0.000 2.919 268 V HA 0.879 5.001 4.120 0.003 0.000 0.316 268 V C 0.457 176.576 176.094 0.041 0.000 1.077 268 V CA -0.404 61.937 62.300 0.068 0.000 0.977 268 V CB 1.491 33.376 31.823 0.103 0.000 1.039 268 V HN 0.815 nan 8.190 nan 0.000 0.441 269 A N 1.658 124.497 122.820 0.031 0.000 2.132 269 A HA 0.503 4.824 4.320 0.003 0.000 0.213 269 A C 1.096 178.756 177.584 0.127 0.000 1.154 269 A CA 0.672 52.721 52.037 0.020 0.000 0.753 269 A CB -0.142 18.860 19.000 0.004 0.000 0.826 269 A HN 0.885 nan 8.150 nan 0.000 0.469 270 S N -1.433 114.340 115.700 0.121 0.000 2.572 270 S HA 0.389 4.861 4.470 0.003 0.000 0.274 270 S C -0.551 174.053 174.600 0.007 0.000 1.150 270 S CA -0.674 57.569 58.200 0.072 0.000 0.944 270 S CB 1.058 64.249 63.200 -0.016 0.000 1.071 270 S HN 0.335 nan 8.310 nan 0.000 0.479 271 c N 4.199 122.768 118.600 -0.052 0.000 2.676 271 c HA 0.329 4.900 4.570 0.003 0.000 0.416 271 c C -1.821 172.132 174.090 -0.228 0.000 1.299 271 c CA -0.859 55.376 56.329 -0.156 0.000 2.048 271 c CB -0.570 41.863 42.510 -0.128 0.000 2.713 271 c HN 0.615 nan 8.230 nan 0.000 0.624 272 P HA -0.014 nan 4.420 nan 0.000 0.267 272 P C 0.549 177.780 177.300 -0.114 0.000 1.195 272 P CA 0.522 63.384 63.100 -0.396 0.000 0.773 272 P CB 0.274 31.397 31.700 -0.962 0.000 0.837 273 H N 1.081 120.109 119.070 -0.070 0.000 2.260 273 H HA -0.218 4.339 4.556 0.003 0.000 0.288 273 H C 1.457 176.818 175.328 0.055 0.000 1.094 273 H CA 2.420 58.467 56.048 -0.001 0.000 1.197 273 H CB -0.126 29.635 29.762 -0.001 0.000 1.346 273 H HN 0.440 nan 8.280 nan 0.000 0.486 274 N N -0.144 118.716 118.700 0.265 0.000 2.398 274 N HA -0.022 4.719 4.740 0.003 0.000 0.188 274 N C -0.351 175.238 175.510 0.131 0.000 1.122 274 N CA 0.083 53.231 53.050 0.164 0.000 0.866 274 N CB 0.204 38.755 38.487 0.106 0.000 0.970 274 N HN 0.061 nan 8.380 nan 0.000 0.462 275 F N 0.216 120.112 119.950 -0.090 0.000 2.408 275 F HA 0.255 4.784 4.527 0.003 0.000 0.303 275 F C 0.863 176.590 175.800 -0.122 0.000 1.268 275 F CA -0.417 57.512 58.000 -0.118 0.000 1.218 275 F CB 0.345 39.229 39.000 -0.193 0.000 1.283 275 F HN -0.377 nan 8.300 nan 0.000 0.545 276 V N 0.504 120.447 119.914 0.048 0.000 3.114 276 V HA 0.536 4.658 4.120 0.003 0.000 0.308 276 V C -1.397 174.646 176.094 -0.084 0.000 1.168 276 V CA -0.907 61.365 62.300 -0.047 0.000 1.015 276 V CB 2.566 34.349 31.823 -0.066 0.000 1.050 276 V HN 0.376 nan 8.190 nan 0.000 0.433 277 V N 3.115 122.928 119.914 -0.168 0.000 2.407 277 V HA 0.419 4.540 4.120 0.003 0.000 0.278 277 V C -0.472 175.555 176.094 -0.113 0.000 1.037 277 V CA -0.290 61.868 62.300 -0.235 0.000 0.900 277 V CB 1.530 33.056 31.823 -0.496 0.000 0.983 277 V HN 0.855 nan 8.190 nan 0.000 0.459 278 D N 4.974 125.342 120.400 -0.052 0.000 2.477 278 D HA 0.334 4.975 4.640 0.003 0.000 0.239 278 D C 0.738 177.051 176.300 0.022 0.000 1.102 278 D CA -0.065 53.930 54.000 -0.009 0.000 0.901 278 D CB 0.644 41.451 40.800 0.011 0.000 1.026 278 D HN 0.663 nan 8.370 nan 0.000 0.515 279 Q N 1.061 120.876 119.800 0.025 0.000 1.945 279 Q HA -0.299 4.043 4.340 0.003 0.000 0.247 279 Q C 0.865 176.942 176.000 0.128 0.000 2.684 279 Q CA 2.312 58.151 55.803 0.060 0.000 0.607 279 Q CB -1.750 27.018 28.738 0.049 0.000 1.195 279 Q HN 0.532 nan 8.270 nan 0.000 0.526 280 T N -0.114 114.514 114.554 0.124 0.000 3.040 280 T HA 0.299 4.651 4.350 0.003 0.000 0.266 280 T C -0.021 174.799 174.700 0.200 0.000 1.005 280 T CA 0.982 63.175 62.100 0.155 0.000 0.906 280 T CB 0.173 69.066 68.868 0.041 0.000 1.082 280 T HN 0.550 nan 8.240 nan 0.000 0.531 281 S N -0.582 115.216 115.700 0.164 0.000 2.570 281 S HA 0.582 5.054 4.470 0.003 0.000 0.270 281 S C -0.874 173.796 174.600 0.117 0.000 1.149 281 S CA -0.845 57.455 58.200 0.166 0.000 0.837 281 S CB 0.960 64.255 63.200 0.159 0.000 1.124 281 S HN 0.220 nan 8.310 nan 0.000 0.465 282 c N 2.414 121.116 118.600 0.171 0.000 2.347 282 c HA 0.805 5.377 4.570 0.003 0.000 0.353 282 c C 0.140 174.428 174.090 0.331 0.000 1.273 282 c CA -0.255 56.174 56.329 0.167 0.000 1.861 282 c CB -0.397 42.149 42.510 0.060 0.000 2.420 282 c HN 0.686 nan 8.230 nan 0.000 0.542 283 V N 4.018 124.085 119.914 0.255 0.000 2.914 283 V HA 0.435 4.557 4.120 0.003 0.000 0.314 283 V C 0.936 176.894 176.094 -0.227 0.000 1.084 283 V CA -0.689 61.684 62.300 0.121 0.000 0.963 283 V CB 1.995 33.843 31.823 0.041 0.000 1.025 283 V HN 0.889 nan 8.190 nan 0.000 0.432 284 R N 1.600 121.761 120.500 -0.564 0.000 2.148 284 R HA 0.318 4.659 4.340 0.003 0.000 0.223 284 R C 0.400 176.450 176.300 -0.416 0.000 1.088 284 R CA 1.404 56.963 56.100 -0.902 0.000 0.985 284 R CB 0.152 30.007 30.300 -0.741 0.000 0.880 284 R HN 0.900 nan 8.270 nan 0.000 0.451 285 A N -1.189 121.491 122.820 -0.233 0.000 2.589 285 A HA 0.410 4.731 4.320 0.003 0.000 0.296 285 A C -0.888 176.647 177.584 -0.081 0.000 1.062 285 A CA -0.938 51.017 52.037 -0.136 0.000 0.686 285 A CB 0.778 19.710 19.000 -0.114 0.000 1.282 285 A HN 0.210 nan 8.150 nan 0.000 0.404 286 c N 2.966 121.530 118.600 -0.059 0.000 2.702 286 c HA 0.433 5.004 4.570 0.003 0.000 0.411 286 c C -1.410 172.664 174.090 -0.025 0.000 1.286 286 c CA -0.037 56.270 56.329 -0.036 0.000 1.979 286 c CB -0.443 42.050 42.510 -0.030 0.000 2.728 286 c HN 0.707 nan 8.230 nan 0.000 0.652 287 P HA 0.173 nan 4.420 nan 0.000 0.272 287 P C -1.985 175.312 177.300 -0.005 0.000 1.230 287 P CA -1.046 62.051 63.100 -0.005 0.000 0.788 287 P CB -0.023 31.680 31.700 0.005 0.000 0.949 288 P HA -0.153 nan 4.420 nan 0.000 0.222 288 P C 0.696 177.996 177.300 0.000 0.000 1.147 288 P CA 1.416 64.514 63.100 -0.003 0.000 0.790 288 P CB -0.072 31.627 31.700 -0.002 0.000 0.780 289 D N -1.009 119.393 120.400 0.003 0.000 2.325 289 D HA 0.063 4.705 4.640 0.003 0.000 0.225 289 D C 0.331 176.635 176.300 0.006 0.000 1.096 289 D CA 0.128 54.131 54.000 0.006 0.000 0.844 289 D CB 0.282 41.087 40.800 0.008 0.000 0.925 289 D HN 0.202 nan 8.370 nan 0.000 0.513 290 K N 0.108 120.510 120.400 0.002 0.000 2.509 290 K HA 0.564 4.885 4.320 0.003 0.000 0.266 290 K C -0.662 175.936 176.600 -0.003 0.000 0.987 290 K CA -0.898 55.389 56.287 0.001 0.000 0.868 290 K CB 2.603 35.102 32.500 -0.000 0.000 1.421 290 K HN 0.024 nan 8.250 nan 0.000 0.444 291 M N -0.934 118.664 119.600 -0.004 0.000 2.446 291 M HA 0.456 4.937 4.480 0.003 0.000 0.294 291 M C -0.810 175.483 176.300 -0.012 0.000 1.158 291 M CA -0.732 54.564 55.300 -0.007 0.000 0.899 291 M CB 2.220 34.820 32.600 -0.000 0.000 1.687 291 M HN 0.396 nan 8.290 nan 0.000 0.455 292 E N 2.567 122.757 120.200 -0.017 0.000 2.238 292 E HA 0.304 4.656 4.350 0.003 0.000 0.264 292 E C -0.816 175.773 176.600 -0.018 0.000 1.136 292 E CA -0.380 56.006 56.400 -0.023 0.000 0.929 292 E CB 0.617 30.301 29.700 -0.028 0.000 1.010 292 E HN 0.575 nan 8.360 nan 0.000 0.440 293 V N 1.651 121.554 119.914 -0.019 0.000 2.667 293 V HA 0.437 4.559 4.120 0.003 0.000 0.308 293 V C -0.234 175.849 176.094 -0.019 0.000 1.048 293 V CA -1.014 61.278 62.300 -0.014 0.000 0.928 293 V CB 1.947 33.766 31.823 -0.007 0.000 1.004 293 V HN 0.512 nan 8.190 nan 0.000 0.444 294 D N 2.688 123.080 120.400 -0.015 0.000 2.329 294 D HA 0.355 4.996 4.640 0.003 0.000 0.232 294 D C -0.713 175.580 176.300 -0.012 0.000 1.088 294 D CA -0.357 53.633 54.000 -0.016 0.000 0.835 294 D CB 1.668 42.460 40.800 -0.013 0.000 1.078 294 D HN 0.696 nan 8.370 nan 0.000 0.495 295 K N 2.960 123.352 120.400 -0.014 0.000 2.414 295 K HA 0.150 4.471 4.320 0.003 0.000 0.251 295 K C -0.046 176.549 176.600 -0.007 0.000 1.037 295 K CA -0.526 55.756 56.287 -0.008 0.000 0.980 295 K CB 0.239 32.735 32.500 -0.006 0.000 1.280 295 K HN 0.366 nan 8.250 nan 0.000 0.451 296 N N 2.947 121.643 118.700 -0.006 0.000 2.716 296 N HA -0.264 4.478 4.740 0.003 0.000 0.250 296 N C 0.506 176.011 175.510 -0.009 0.000 1.033 296 N CA 1.611 54.657 53.050 -0.006 0.000 0.727 296 N CB -1.091 37.393 38.487 -0.005 0.000 0.950 296 N HN 0.936 nan 8.380 nan 0.000 0.541 297 G N -2.020 106.773 108.800 -0.012 0.000 2.241 297 G HA2 -0.312 3.650 3.960 0.003 0.000 0.244 297 G HA3 -0.312 3.650 3.960 0.003 0.000 0.244 297 G C 0.012 174.898 174.900 -0.023 0.000 0.998 297 G CA 0.227 45.317 45.100 -0.016 0.000 0.621 297 G HN 0.745 nan 8.290 nan 0.000 0.519 298 L N 1.832 123.042 121.223 -0.021 0.000 2.385 298 L HA 0.633 4.974 4.340 0.003 0.000 0.281 298 L C 0.567 177.408 176.870 -0.049 0.000 1.106 298 L CA -0.334 54.486 54.840 -0.034 0.000 0.856 298 L CB 0.351 42.399 42.059 -0.018 0.000 1.186 298 L HN 0.181 nan 8.230 nan 0.000 0.453 299 K N 6.406 126.768 120.400 -0.064 0.000 2.349 299 K HA 0.511 4.832 4.320 0.003 0.000 0.289 299 K C -0.363 176.185 176.600 -0.087 0.000 1.064 299 K CA 0.203 56.453 56.287 -0.062 0.000 0.947 299 K CB 0.417 32.884 32.500 -0.056 0.000 1.007 299 K HN 0.753 nan 8.250 nan 0.000 0.478 300 M N 0.509 120.068 119.600 -0.069 0.000 2.755 300 M HA 0.512 4.994 4.480 0.003 0.000 0.273 300 M C -1.382 174.889 176.300 -0.049 0.000 1.278 300 M CA -0.912 54.342 55.300 -0.077 0.000 0.819 300 M CB 1.493 34.047 32.600 -0.078 0.000 1.694 300 M HN 0.281 nan 8.290 nan 0.000 0.460 301 c N 0.963 119.537 118.600 -0.043 0.000 2.355 301 c HA 0.829 5.401 4.570 0.003 0.000 0.332 301 c C -0.357 173.725 174.090 -0.013 0.000 1.255 301 c CA -0.140 56.173 56.329 -0.026 0.000 1.792 301 c CB 0.722 43.218 42.510 -0.022 0.000 2.300 301 c HN 0.925 nan 8.230 nan 0.000 0.515 302 E N 3.365 123.561 120.200 -0.006 0.000 2.314 302 E HA 0.473 4.825 4.350 0.003 0.000 0.272 302 E C -2.785 173.819 176.600 0.005 0.000 0.884 302 E CA -1.714 54.686 56.400 0.001 0.000 0.753 302 E CB 1.965 31.666 29.700 0.002 0.000 1.213 302 E HN 0.348 nan 8.360 nan 0.000 0.432 303 P HA 0.017 nan 4.420 nan 0.000 0.264 303 P C -0.494 176.815 177.300 0.014 0.000 1.193 303 P CA -0.242 62.866 63.100 0.012 0.000 0.763 303 P CB 0.268 31.978 31.700 0.016 0.000 0.810 304 c N 3.851 122.459 118.600 0.014 0.000 2.566 304 c HA 0.242 4.814 4.570 0.003 0.000 0.393 304 c C 1.958 176.060 174.090 0.020 0.000 1.309 304 c CA 0.063 56.401 56.329 0.016 0.000 1.801 304 c CB -0.401 42.117 42.510 0.015 0.000 2.493 304 c HN 0.748 nan 8.230 nan 0.000 0.575 305 G N 3.002 111.816 108.800 0.023 0.000 2.899 305 G HA2 0.424 4.386 3.960 0.003 0.000 0.258 305 G HA3 0.424 4.386 3.960 0.003 0.000 0.258 305 G C 0.925 175.841 174.900 0.027 0.000 0.765 305 G CA 0.844 45.960 45.100 0.027 0.000 2.018 305 G HN 1.493 nan 8.290 nan 0.000 0.587 306 G N 0.286 109.100 108.800 0.023 0.000 2.214 306 G HA2 -0.097 3.865 3.960 0.003 0.000 0.200 306 G HA3 -0.097 3.865 3.960 0.003 0.000 0.200 306 G C -0.602 174.309 174.900 0.018 0.000 1.126 306 G CA -0.646 44.467 45.100 0.021 0.000 1.284 306 G HN 0.376 nan 8.290 nan 0.000 0.493 307 L N 1.421 122.656 121.223 0.020 0.000 2.418 307 L HA 0.586 4.928 4.340 0.003 0.000 0.265 307 L C 1.031 177.913 176.870 0.020 0.000 1.143 307 L CA -0.622 54.229 54.840 0.018 0.000 0.809 307 L CB 0.963 43.035 42.059 0.021 0.000 1.124 307 L HN 0.723 nan 8.230 nan 0.000 0.456 308 c N 3.861 122.471 118.600 0.016 0.000 2.593 308 c HA 0.242 4.814 4.570 0.003 0.000 0.409 308 c C -1.717 172.385 174.090 0.020 0.000 1.304 308 c CA -0.859 55.480 56.329 0.015 0.000 2.007 308 c CB 0.277 42.792 42.510 0.009 0.000 2.614 308 c HN 0.581 nan 8.230 nan 0.000 0.585 309 P HA 0.097 nan 4.420 nan 0.000 0.259 309 P C -0.499 176.817 177.300 0.027 0.000 1.211 309 P CA 0.489 63.605 63.100 0.028 0.000 0.810 309 P CB 0.090 31.806 31.700 0.026 0.000 0.815 310 K N 2.776 123.197 120.400 0.035 0.000 2.244 310 K HA 0.711 5.033 4.320 0.003 0.000 0.260 310 K C -0.978 175.652 176.600 0.051 0.000 0.951 310 K CA -0.817 55.491 56.287 0.034 0.000 0.826 310 K CB 1.347 33.864 32.500 0.028 0.000 1.108 310 K HN 0.369 nan 8.250 nan 0.000 0.433 311 A N 3.206 126.053 122.820 0.044 0.000 2.330 311 A HA 0.657 4.978 4.320 0.003 0.000 0.327 311 A C -0.865 176.750 177.584 0.052 0.000 1.155 311 A CA -0.668 51.404 52.037 0.058 0.000 0.803 311 A CB 0.458 19.485 19.000 0.045 0.000 1.208 311 A HN 0.867 nan 8.150 nan 0.000 0.477 312 c N 0.729 119.377 118.600 0.080 0.000 3.080 312 c HA 0.687 5.258 4.570 0.003 0.000 0.307 312 c C -0.098 174.039 174.090 0.078 0.000 1.311 312 c CA -1.002 55.355 56.329 0.047 0.000 1.533 312 c CB 0.857 43.356 42.510 -0.017 0.000 1.970 312 c HN 0.935 nan 8.230 nan 0.000 0.467 313 E N 0.650 120.868 120.200 0.030 0.000 2.452 313 E HA 0.414 4.765 4.350 0.003 0.000 0.261 313 E C 0.779 177.480 176.600 0.169 0.000 0.987 313 E CA 0.782 57.220 56.400 0.063 0.000 0.926 313 E CB 0.461 30.177 29.700 0.026 0.000 0.934 313 E HN 0.816 nan 8.360 nan 0.000 0.452 314 G N 1.841 110.760 108.800 0.199 0.000 3.022 314 G HA2 0.385 4.347 3.960 0.003 0.000 0.157 314 G HA3 0.385 4.347 3.960 0.003 0.000 0.157 314 G C -0.312 174.743 174.900 0.259 0.000 1.468 314 G CA -0.184 45.089 45.100 0.288 0.000 1.058 314 G HN 0.479 nan 8.290 nan 0.000 0.581 315 T N -1.633 112.990 114.554 0.114 0.000 2.883 315 T HA 0.656 5.008 4.350 0.003 0.000 0.296 315 T C 0.157 174.882 174.700 0.043 0.000 1.117 315 T CA 0.879 63.051 62.100 0.121 0.000 1.006 315 T CB 1.414 70.322 68.868 0.066 0.000 1.191 315 T HN 1.996 nan 8.240 nan 0.000 0.508 316 G N 1.380 110.255 108.800 0.126 0.000 2.627 316 G HA2 -0.074 3.887 3.960 0.003 0.000 0.214 316 G HA3 -0.074 3.887 3.960 0.003 0.000 0.214 316 G C 0.010 174.995 174.900 0.142 0.000 1.331 316 G CA -0.179 45.039 45.100 0.197 0.000 0.891 316 G HN 1.269 nan 8.290 nan 0.000 0.539 317 S N 0.698 116.503 115.700 0.174 0.000 2.555 317 S HA 0.495 4.966 4.470 0.003 0.000 0.293 317 S C 1.693 176.334 174.600 0.068 0.000 1.248 317 S CA 1.914 60.175 58.200 0.101 0.000 1.096 317 S CB -0.237 63.022 63.200 0.098 0.000 0.881 317 S HN 2.733 nan 8.310 nan 0.000 0.498 318 G N 3.116 111.936 108.800 0.032 0.000 2.284 318 G HA2 -0.210 3.752 3.960 0.003 0.000 0.201 318 G HA3 -0.210 3.752 3.960 0.003 0.000 0.201 318 G C 0.300 175.196 174.900 -0.007 0.000 0.998 318 G CA 0.332 45.439 45.100 0.012 0.000 0.651 318 G HN 1.604 nan 8.290 nan 0.000 0.489 319 S N -0.031 115.668 115.700 -0.002 0.000 2.718 319 S HA 0.732 5.203 4.470 0.003 0.000 0.292 319 S C 1.396 175.933 174.600 -0.104 0.000 1.125 319 S CA 0.401 58.576 58.200 -0.040 0.000 1.013 319 S CB 1.509 64.724 63.200 0.025 0.000 1.192 319 S HN 0.911 nan 8.310 nan 0.000 0.535 320 R N -0.663 119.682 120.500 -0.259 0.000 2.373 320 R HA 0.277 4.619 4.340 0.003 0.000 0.221 320 R C -0.720 175.380 176.300 -0.333 0.000 0.893 320 R CA -0.166 55.735 56.100 -0.331 0.000 1.049 320 R CB -0.387 29.663 30.300 -0.417 0.000 1.119 320 R HN 0.535 nan 8.270 nan 0.000 0.535 321 F N 1.747 121.718 119.950 0.035 0.000 2.394 321 F HA 0.331 4.859 4.527 0.003 0.000 0.340 321 F C 1.692 177.523 175.800 0.050 0.000 1.105 321 F CA -0.825 57.203 58.000 0.046 0.000 1.124 321 F CB 1.946 40.984 39.000 0.063 0.000 1.145 321 F HN -0.136 nan 8.300 nan 0.000 0.505 322 Q N 0.477 120.419 119.800 0.238 0.000 2.402 322 Q HA 0.059 4.400 4.340 0.003 0.000 0.206 322 Q C 0.250 176.339 176.000 0.149 0.000 0.919 322 Q CA 0.485 56.388 55.803 0.166 0.000 0.923 322 Q CB 0.681 29.494 28.738 0.125 0.000 1.048 322 Q HN 0.761 nan 8.270 nan 0.000 0.515 323 T N -1.384 113.255 114.554 0.142 0.000 2.843 323 T HA 0.372 4.723 4.350 0.003 0.000 0.302 323 T C -1.326 173.367 174.700 -0.010 0.000 1.232 323 T CA -0.676 61.450 62.100 0.043 0.000 1.009 323 T CB 1.549 70.450 68.868 0.056 0.000 1.254 323 T HN -0.177 nan 8.240 nan 0.000 0.504 324 V N 4.326 124.139 119.914 -0.168 0.000 2.470 324 V HA 0.428 4.550 4.120 0.003 0.000 0.276 324 V C -0.063 176.013 176.094 -0.030 0.000 1.040 324 V CA 0.211 62.419 62.300 -0.155 0.000 1.008 324 V CB 0.443 31.993 31.823 -0.455 0.000 0.990 324 V HN 0.998 nan 8.190 nan 0.000 0.477 325 D N 1.889 122.273 120.400 -0.026 0.000 2.579 325 D HA 0.291 4.932 4.640 0.003 0.000 0.257 325 D C 0.813 177.107 176.300 -0.010 0.000 1.176 325 D CA -0.072 53.930 54.000 0.004 0.000 0.914 325 D CB 1.220 42.023 40.800 0.004 0.000 1.431 325 D HN 0.332 nan 8.370 nan 0.000 0.454 326 S N -0.676 115.030 115.700 0.010 0.000 2.528 326 S HA -0.188 4.284 4.470 0.003 0.000 0.244 326 S C 1.476 176.062 174.600 -0.023 0.000 0.982 326 S CA 1.014 59.216 58.200 0.003 0.000 0.953 326 S CB -0.707 62.499 63.200 0.011 0.000 0.754 326 S HN 0.615 nan 8.310 nan 0.000 0.529 327 S N 1.465 117.132 115.700 -0.055 0.000 2.557 327 S HA 0.173 4.645 4.470 0.003 0.000 0.223 327 S C 0.863 175.349 174.600 -0.189 0.000 0.969 327 S CA 0.140 58.295 58.200 -0.076 0.000 0.927 327 S CB -0.317 62.868 63.200 -0.023 0.000 0.806 327 S HN 0.746 nan 8.310 nan 0.000 0.489 328 N N 0.193 118.749 118.700 -0.240 0.000 2.028 328 N HA 0.158 4.900 4.740 0.003 0.000 0.230 328 N C 0.958 176.433 175.510 -0.058 0.000 1.354 328 N CA 0.126 52.972 53.050 -0.340 0.000 0.855 328 N CB -0.857 37.039 38.487 -0.984 0.000 1.111 328 N HN 0.260 nan 8.380 nan 0.000 0.480 329 I N 1.456 122.061 120.570 0.058 0.000 2.248 329 I HA -0.270 3.901 4.170 0.003 0.000 0.248 329 I C 0.921 177.105 176.117 0.112 0.000 1.107 329 I CA 1.806 63.217 61.300 0.185 0.000 1.373 329 I CB -0.055 38.000 38.000 0.092 0.000 1.055 329 I HN 0.033 nan 8.210 nan 0.000 0.418 330 D N 0.465 120.868 120.400 0.006 0.000 2.178 330 D HA -0.080 4.561 4.640 0.003 0.000 0.202 330 D C 2.035 178.293 176.300 -0.069 0.000 0.974 330 D CA 1.331 55.312 54.000 -0.033 0.000 0.841 330 D CB -0.613 40.164 40.800 -0.039 0.000 0.953 330 D HN 0.502 nan 8.370 nan 0.000 0.478 331 G N -1.165 107.549 108.800 -0.143 0.000 2.843 331 G HA2 -0.161 3.801 3.960 0.003 0.000 0.205 331 G HA3 -0.161 3.801 3.960 0.003 0.000 0.205 331 G C 0.761 175.387 174.900 -0.457 0.000 1.160 331 G CA 0.046 44.980 45.100 -0.277 0.000 0.819 331 G HN 0.236 nan 8.290 nan 0.000 0.516 332 F N -1.110 118.779 119.950 -0.101 0.000 2.728 332 F HA 0.306 4.834 4.527 0.003 0.000 0.314 332 F C 1.281 176.981 175.800 -0.167 0.000 1.094 332 F CA -0.619 57.298 58.000 -0.138 0.000 1.217 332 F CB 0.809 39.636 39.000 -0.289 0.000 1.056 332 F HN -0.098 nan 8.300 nan 0.000 0.577 333 V N 2.595 122.502 119.914 -0.011 0.000 2.644 333 V HA -0.111 4.011 4.120 0.003 0.000 0.305 333 V C 0.635 176.722 176.094 -0.012 0.000 1.053 333 V CA 0.740 63.018 62.300 -0.037 0.000 1.186 333 V CB 0.019 31.816 31.823 -0.044 0.000 0.895 333 V HN 0.700 nan 8.190 nan 0.000 0.490 334 N N 2.126 120.820 118.700 -0.010 0.000 2.936 334 N HA -0.186 4.556 4.740 0.003 0.000 0.236 334 N C 0.209 175.742 175.510 0.039 0.000 0.930 334 N CA 1.280 54.335 53.050 0.009 0.000 0.966 334 N CB -1.827 36.662 38.487 0.002 0.000 1.090 334 N HN 0.725 nan 8.380 nan 0.000 0.592 335 c N 1.281 119.923 118.600 0.071 0.000 2.653 335 c HA 0.310 4.882 4.570 0.003 0.000 0.421 335 c C 2.249 176.417 174.090 0.129 0.000 1.334 335 c CA 0.980 57.380 56.329 0.120 0.000 1.885 335 c CB 0.037 42.681 42.510 0.224 0.000 2.645 335 c HN 0.598 nan 8.230 nan 0.000 0.601 336 T N 0.360 114.982 114.554 0.113 0.000 2.959 336 T HA 0.202 4.553 4.350 0.003 0.000 0.254 336 T C 0.086 174.854 174.700 0.114 0.000 1.003 336 T CA -0.043 62.122 62.100 0.108 0.000 0.950 336 T CB 0.073 68.986 68.868 0.074 0.000 1.090 336 T HN 0.683 nan 8.240 nan 0.000 0.503 337 K N 0.720 121.189 120.400 0.115 0.000 2.471 337 K HA 0.642 4.964 4.320 0.003 0.000 0.252 337 K C -1.824 174.855 176.600 0.132 0.000 0.938 337 K CA -0.934 55.416 56.287 0.104 0.000 0.796 337 K CB 1.549 34.091 32.500 0.070 0.000 1.161 337 K HN 0.117 nan 8.250 nan 0.000 0.425 338 I N 5.280 125.933 120.570 0.138 0.000 2.304 338 I HA 0.202 4.373 4.170 0.003 0.000 0.291 338 I C -0.373 175.796 176.117 0.087 0.000 1.018 338 I CA -0.373 61.023 61.300 0.160 0.000 1.260 338 I CB 1.099 39.211 38.000 0.187 0.000 1.390 338 I HN 0.526 nan 8.210 nan 0.000 0.475 339 L N 8.037 129.311 121.223 0.084 0.000 2.375 339 L HA 0.497 4.839 4.340 0.003 0.000 0.276 339 L C 0.830 177.718 176.870 0.031 0.000 1.162 339 L CA 0.039 54.906 54.840 0.045 0.000 0.991 339 L CB -0.808 41.274 42.059 0.039 0.000 1.315 339 L HN 0.972 nan 8.230 nan 0.000 0.431 340 G N 2.698 111.495 108.800 -0.005 0.000 2.217 340 G HA2 -0.143 3.818 3.960 0.003 0.000 0.173 340 G HA3 -0.143 3.818 3.960 0.003 0.000 0.173 340 G C -1.116 173.692 174.900 -0.153 0.000 1.324 340 G CA -0.728 44.339 45.100 -0.055 0.000 1.225 340 G HN 0.411 nan 8.290 nan 0.000 0.494 341 N N -0.281 118.268 118.700 -0.253 0.000 2.545 341 N HA 0.744 5.486 4.740 0.003 0.000 0.289 341 N C -1.043 174.267 175.510 -0.333 0.000 1.279 341 N CA -0.515 52.222 53.050 -0.521 0.000 0.824 341 N CB 1.932 39.664 38.487 -1.258 0.000 1.395 341 N HN 0.528 nan 8.380 nan 0.000 0.526 342 L N 0.988 121.979 121.223 -0.387 0.000 2.406 342 L HA 0.386 4.728 4.340 0.003 0.000 0.270 342 L C -1.202 175.496 176.870 -0.288 0.000 0.982 342 L CA -0.699 53.936 54.840 -0.341 0.000 0.843 342 L CB 1.547 43.399 42.059 -0.345 0.000 1.225 342 L HN 0.370 nan 8.230 nan 0.000 0.412 343 D N 2.988 123.213 120.400 -0.291 0.000 2.193 343 D HA 0.466 5.108 4.640 0.003 0.000 0.244 343 D C -0.931 175.118 176.300 -0.419 0.000 1.064 343 D CA 0.025 53.920 54.000 -0.175 0.000 0.845 343 D CB 1.378 42.180 40.800 0.003 0.000 1.148 343 D HN 0.173 nan 8.370 nan 0.000 0.464 344 F N 2.340 122.289 119.950 -0.001 0.000 2.310 344 F HA 0.293 4.822 4.527 0.003 0.000 0.365 344 F C -0.101 175.747 175.800 0.081 0.000 1.080 344 F CA -0.809 57.239 58.000 0.080 0.000 1.187 344 F CB 0.309 39.426 39.000 0.195 0.000 1.465 344 F HN 0.067 nan 8.300 nan 0.000 0.496 345 L N 2.833 124.157 121.223 0.168 0.000 2.421 345 L HA 0.342 4.683 4.340 0.003 0.000 0.263 345 L C 1.698 178.665 176.870 0.162 0.000 1.122 345 L CA -0.661 54.264 54.840 0.142 0.000 0.804 345 L CB 1.113 43.238 42.059 0.110 0.000 1.150 345 L HN 0.523 nan 8.230 nan 0.000 0.457 346 I N 0.351 121.005 120.570 0.140 0.000 2.145 346 I HA -0.322 3.849 4.170 0.003 0.000 0.244 346 I C 2.330 178.527 176.117 0.133 0.000 1.075 346 I CA 2.015 63.395 61.300 0.134 0.000 1.332 346 I CB -0.491 37.578 38.000 0.115 0.000 1.033 346 I HN 0.851 nan 8.210 nan 0.000 0.410 347 T N -0.082 114.550 114.554 0.131 0.000 2.759 347 T HA -0.128 4.224 4.350 0.003 0.000 0.269 347 T C 1.943 176.722 174.700 0.130 0.000 1.042 347 T CA 1.277 63.462 62.100 0.141 0.000 1.140 347 T CB -1.015 67.939 68.868 0.142 0.000 0.864 347 T HN 0.570 nan 8.240 nan 0.000 0.455 348 G N 1.336 110.210 108.800 0.123 0.000 2.403 348 G HA2 -0.012 3.949 3.960 0.003 0.000 0.216 348 G HA3 -0.012 3.949 3.960 0.003 0.000 0.216 348 G C 1.440 176.408 174.900 0.115 0.000 1.154 348 G CA 0.182 45.349 45.100 0.111 0.000 0.784 348 G HN 0.370 nan 8.290 nan 0.000 0.538 349 L N 0.451 121.752 121.223 0.131 0.000 2.095 349 L HA 0.084 4.425 4.340 0.003 0.000 0.204 349 L C 1.869 178.784 176.870 0.076 0.000 1.080 349 L CA 1.020 55.923 54.840 0.105 0.000 0.759 349 L CB -0.638 41.490 42.059 0.116 0.000 0.914 349 L HN 0.227 nan 8.230 nan 0.000 0.439 350 N N -0.328 118.424 118.700 0.087 0.000 2.236 350 N HA 0.125 4.867 4.740 0.003 0.000 0.196 350 N C 0.794 176.344 175.510 0.066 0.000 1.114 350 N CA 0.787 53.880 53.050 0.072 0.000 0.859 350 N CB 1.340 39.877 38.487 0.083 0.000 0.982 350 N HN 0.351 nan 8.380 nan 0.000 0.493 351 G N 1.892 110.739 108.800 0.079 0.000 2.712 351 G HA2 -0.200 3.761 3.960 0.003 0.000 0.683 351 G HA3 -0.200 3.761 3.960 0.003 0.000 0.683 351 G C -1.283 173.690 174.900 0.122 0.000 1.320 351 G CA -0.411 44.735 45.100 0.077 0.000 0.847 351 G HN 0.316 nan 8.290 nan 0.000 0.553 352 D N 0.271 120.755 120.400 0.140 0.000 2.363 352 D HA 0.511 5.152 4.640 0.003 0.000 0.258 352 D C -0.770 175.627 176.300 0.162 0.000 1.259 352 D CA -1.349 52.795 54.000 0.240 0.000 0.921 352 D CB 1.462 42.462 40.800 0.333 0.000 1.201 352 D HN 0.190 nan 8.370 nan 0.000 0.524 353 P HA -0.081 nan 4.420 nan 0.000 0.231 353 P C 0.923 178.064 177.300 -0.265 0.000 1.158 353 P CA 0.543 63.517 63.100 -0.210 0.000 0.763 353 P CB 0.069 31.526 31.700 -0.405 0.000 0.805 354 W N 0.292 121.479 121.300 -0.190 0.000 2.441 354 W HA -0.030 4.632 4.660 0.003 0.000 0.302 354 W C 0.558 176.764 176.519 -0.522 0.000 1.191 354 W CA 0.948 58.034 57.345 -0.432 0.000 1.327 354 W CB -0.886 28.147 29.460 -0.712 0.000 1.128 354 W HN 0.209 nan 8.180 nan 0.000 0.522 355 H N -0.063 119.170 119.070 0.273 0.000 2.439 355 H HA 0.193 4.751 4.556 0.003 0.000 0.239 355 H C 0.067 175.466 175.328 0.119 0.000 1.432 355 H CA -0.616 55.530 56.048 0.164 0.000 1.373 355 H CB 0.096 29.947 29.762 0.149 0.000 1.463 355 H HN -0.499 nan 8.280 nan 0.000 0.530 356 K N 2.599 123.074 120.400 0.125 0.000 2.364 356 K HA -0.047 4.275 4.320 0.003 0.000 0.265 356 K C -0.608 176.043 176.600 0.084 0.000 1.189 356 K CA 0.640 56.970 56.287 0.071 0.000 1.224 356 K CB -0.382 32.138 32.500 0.032 0.000 0.813 356 K HN 0.650 nan 8.250 nan 0.000 0.490 357 I N 7.239 127.859 120.570 0.082 0.000 2.503 357 I HA 0.181 4.352 4.170 0.003 0.000 0.282 357 I C -2.228 173.918 176.117 0.049 0.000 1.059 357 I CA -2.234 59.109 61.300 0.072 0.000 1.081 357 I CB 1.964 40.023 38.000 0.099 0.000 1.210 357 I HN 0.292 nan 8.210 nan 0.000 0.450 358 P HA 0.013 nan 4.420 nan 0.000 0.266 358 P C -0.125 177.188 177.300 0.021 0.000 1.193 358 P CA -0.098 63.011 63.100 0.014 0.000 0.770 358 P CB 0.543 32.247 31.700 0.007 0.000 0.836 359 A N 3.174 126.003 122.820 0.015 0.000 2.540 359 A HA 0.122 4.444 4.320 0.003 0.000 0.239 359 A C 0.072 177.667 177.584 0.018 0.000 1.061 359 A CA -0.096 51.954 52.037 0.022 0.000 0.758 359 A CB -0.532 18.476 19.000 0.014 0.000 0.991 359 A HN 0.605 nan 8.150 nan 0.000 0.502 360 L N 2.300 123.538 121.223 0.025 0.000 2.410 360 L HA 0.176 4.517 4.340 0.003 0.000 0.273 360 L C 0.227 177.098 176.870 0.001 0.000 1.144 360 L CA -0.126 54.725 54.840 0.020 0.000 0.863 360 L CB 0.334 42.416 42.059 0.039 0.000 1.140 360 L HN 0.696 nan 8.230 nan 0.000 0.463 361 D N 7.389 127.787 120.400 -0.005 0.000 2.412 361 D HA 0.045 4.686 4.640 0.003 0.000 0.257 361 D C -1.696 174.588 176.300 -0.027 0.000 1.217 361 D CA -1.456 52.535 54.000 -0.014 0.000 0.897 361 D CB 1.438 42.229 40.800 -0.016 0.000 1.132 361 D HN 0.438 nan 8.370 nan 0.000 0.493 362 P HA -0.178 nan 4.420 nan 0.000 0.215 362 P C 1.098 178.357 177.300 -0.068 0.000 1.163 362 P CA 1.211 64.279 63.100 -0.052 0.000 0.894 362 P CB 0.300 32.071 31.700 0.117 0.000 0.791 363 E N -0.358 119.827 120.200 -0.025 0.000 2.130 363 E HA -0.197 4.154 4.350 0.003 0.000 0.196 363 E C 1.671 178.240 176.600 -0.052 0.000 0.998 363 E CA 1.182 57.561 56.400 -0.034 0.000 0.806 363 E CB -0.430 29.255 29.700 -0.025 0.000 0.738 363 E HN 0.110 nan 8.360 nan 0.000 0.459 364 K N 0.103 120.475 120.400 -0.047 0.000 2.520 364 K HA -0.119 4.203 4.320 0.003 0.000 0.197 364 K C 1.674 178.242 176.600 -0.053 0.000 1.043 364 K CA 0.582 56.840 56.287 -0.049 0.000 0.944 364 K CB -0.163 32.319 32.500 -0.030 0.000 0.770 364 K HN 0.309 nan 8.250 nan 0.000 0.480 365 L N 0.962 122.152 121.223 -0.056 0.000 2.376 365 L HA -0.084 4.258 4.340 0.003 0.000 0.219 365 L C 1.593 178.467 176.870 0.007 0.000 1.133 365 L CA 0.444 55.284 54.840 -0.000 0.000 0.816 365 L CB -0.305 41.628 42.059 -0.210 0.000 0.933 365 L HN 0.193 nan 8.230 nan 0.000 0.449 366 N N 0.141 118.804 118.700 -0.062 0.000 2.443 366 N HA -0.122 4.620 4.740 0.003 0.000 0.184 366 N C 1.824 177.270 175.510 -0.107 0.000 1.037 366 N CA 1.488 54.496 53.050 -0.069 0.000 0.896 366 N CB -0.052 38.400 38.487 -0.059 0.000 0.959 366 N HN 0.360 nan 8.380 nan 0.000 0.442 367 V N -2.218 117.577 119.914 -0.198 0.000 3.186 367 V HA -0.057 4.065 4.120 0.003 0.000 0.270 367 V C 1.356 177.227 176.094 -0.373 0.000 1.149 367 V CA 1.178 63.306 62.300 -0.286 0.000 1.160 367 V CB -1.250 30.365 31.823 -0.347 0.000 0.758 367 V HN 0.037 nan 8.190 nan 0.000 0.516 368 F N -0.245 119.630 119.950 -0.125 0.000 2.746 368 F HA 0.328 4.856 4.527 0.003 0.000 0.297 368 F C 2.456 178.126 175.800 -0.217 0.000 1.113 368 F CA -0.136 57.737 58.000 -0.212 0.000 1.367 368 F CB -0.059 38.626 39.000 -0.525 0.000 1.111 368 F HN -0.016 nan 8.300 nan 0.000 0.590 369 R N -0.339 120.140 120.500 -0.035 0.000 2.170 369 R HA -0.142 4.200 4.340 0.003 0.000 0.242 369 R C 1.775 178.094 176.300 0.032 0.000 1.145 369 R CA 1.454 57.543 56.100 -0.018 0.000 0.984 369 R CB -1.220 29.065 30.300 -0.025 0.000 0.869 369 R HN 0.160 nan 8.270 nan 0.000 0.455 370 T N 0.631 115.210 114.554 0.041 0.000 3.088 370 T HA 0.064 4.415 4.350 0.003 0.000 0.259 370 T C 0.539 175.303 174.700 0.107 0.000 1.122 370 T CA 0.099 62.234 62.100 0.059 0.000 1.095 370 T CB 0.208 69.098 68.868 0.038 0.000 0.930 370 T HN -0.116 nan 8.240 nan 0.000 0.508 371 V N 2.278 122.294 119.914 0.171 0.000 2.508 371 V HA 0.274 4.395 4.120 0.003 0.000 0.281 371 V C 1.134 177.342 176.094 0.190 0.000 1.041 371 V CA 0.088 62.525 62.300 0.228 0.000 1.016 371 V CB 1.240 33.294 31.823 0.384 0.000 0.984 371 V HN 0.274 nan 8.190 nan 0.000 0.478 372 R N 2.168 122.750 120.500 0.137 0.000 2.195 372 R HA 0.258 4.599 4.340 0.003 0.000 0.197 372 R C 0.541 176.885 176.300 0.073 0.000 0.990 372 R CA 0.207 56.365 56.100 0.097 0.000 1.048 372 R CB 0.745 31.089 30.300 0.074 0.000 0.997 372 R HN 0.782 nan 8.270 nan 0.000 0.502 373 E N 0.719 120.964 120.200 0.075 0.000 2.275 373 E HA 0.311 4.662 4.350 0.003 0.000 0.270 373 E C -1.419 175.205 176.600 0.038 0.000 0.882 373 E CA -0.465 55.959 56.400 0.041 0.000 0.758 373 E CB 1.726 31.448 29.700 0.036 0.000 1.195 373 E HN -0.009 nan 8.360 nan 0.000 0.419 374 I N 3.813 124.375 120.570 -0.013 0.000 2.339 374 I HA 0.126 4.297 4.170 0.003 0.000 0.290 374 I C 1.370 177.462 176.117 -0.042 0.000 0.994 374 I CA -0.169 61.108 61.300 -0.040 0.000 1.191 374 I CB 1.780 39.708 38.000 -0.120 0.000 1.343 374 I HN 0.652 nan 8.210 nan 0.000 0.458 375 T N 4.382 118.920 114.554 -0.026 0.000 2.652 375 T HA -0.100 4.252 4.350 0.003 0.000 0.267 375 T C 1.250 175.932 174.700 -0.031 0.000 1.039 375 T CA 2.019 64.107 62.100 -0.020 0.000 1.153 375 T CB -0.035 68.828 68.868 -0.009 0.000 0.863 375 T HN 0.868 nan 8.240 nan 0.000 0.428 376 G N -0.212 108.545 108.800 -0.072 0.000 3.226 376 G HA2 0.473 4.434 3.960 0.003 0.000 0.190 376 G HA3 0.473 4.434 3.960 0.003 0.000 0.190 376 G C -0.368 174.515 174.900 -0.028 0.000 1.988 376 G CA -0.089 44.977 45.100 -0.056 0.000 0.859 376 G HN 0.527 nan 8.290 nan 0.000 0.631 377 Y N -1.257 119.022 120.300 -0.035 0.000 2.528 377 Y HA 0.793 5.344 4.550 0.003 0.000 0.335 377 Y C -0.964 174.844 175.900 -0.152 0.000 1.093 377 Y CA -2.127 55.929 58.100 -0.073 0.000 1.134 377 Y CB 1.650 40.102 38.460 -0.013 0.000 1.253 377 Y HN 0.374 nan 8.280 nan 0.000 0.478 378 L N 3.438 124.676 121.223 0.025 0.000 2.325 378 L HA 0.553 4.895 4.340 0.003 0.000 0.281 378 L C -1.548 175.266 176.870 -0.094 0.000 1.004 378 L CA -0.517 54.231 54.840 -0.152 0.000 0.823 378 L CB 1.308 43.119 42.059 -0.414 0.000 1.236 378 L HN 0.869 nan 8.230 nan 0.000 0.415 379 N N 5.462 124.121 118.700 -0.070 0.000 2.617 379 N HA 0.404 5.146 4.740 0.003 0.000 0.263 379 N C -1.690 173.752 175.510 -0.113 0.000 1.074 379 N CA -0.254 52.662 53.050 -0.223 0.000 0.841 379 N CB 0.613 38.847 38.487 -0.422 0.000 1.221 379 N HN 0.607 nan 8.380 nan 0.000 0.529 380 I N 2.860 123.326 120.570 -0.174 0.000 2.337 380 I HA 0.223 4.394 4.170 0.003 0.000 0.285 380 I C 0.986 177.082 176.117 -0.035 0.000 1.041 380 I CA -0.164 61.078 61.300 -0.097 0.000 1.199 380 I CB 1.496 39.197 38.000 -0.499 0.000 1.370 380 I HN 0.534 nan 8.210 nan 0.000 0.470 381 Q N 2.628 122.467 119.800 0.065 0.000 2.319 381 Q HA 0.249 4.590 4.340 0.003 0.000 0.209 381 Q C 0.059 176.149 176.000 0.151 0.000 0.884 381 Q CA 0.079 55.923 55.803 0.068 0.000 0.938 381 Q CB 0.871 29.630 28.738 0.035 0.000 1.098 381 Q HN 0.608 nan 8.270 nan 0.000 0.517 382 S N -0.324 115.527 115.700 0.251 0.000 2.543 382 S HA 0.495 4.967 4.470 0.003 0.000 0.273 382 S C -2.504 172.367 174.600 0.453 0.000 1.152 382 S CA -0.651 57.720 58.200 0.285 0.000 0.910 382 S CB 0.943 64.280 63.200 0.227 0.000 1.105 382 S HN 0.351 nan 8.310 nan 0.000 0.465 383 W N 4.408 125.765 121.300 0.096 0.000 3.425 383 W HA 0.357 5.019 4.660 0.003 0.000 0.318 383 W C -3.125 173.404 176.519 0.017 0.000 1.201 383 W CA -1.940 55.444 57.345 0.065 0.000 1.212 383 W CB 1.680 31.216 29.460 0.126 0.000 1.355 383 W HN 0.501 nan 8.180 nan 0.000 0.515 384 P HA 0.014 nan 4.420 nan 0.000 0.261 384 P C -1.993 175.249 177.300 -0.098 0.000 1.183 384 P CA -0.155 62.821 63.100 -0.207 0.000 0.761 384 P CB 0.367 31.814 31.700 -0.421 0.000 0.785 385 P HA -0.173 nan 4.420 nan 0.000 0.221 385 P C 0.954 178.335 177.300 0.135 0.000 1.145 385 P CA 1.423 64.585 63.100 0.103 0.000 0.795 385 P CB -0.342 31.426 31.700 0.113 0.000 0.775 386 H N -3.236 115.851 119.070 0.028 0.000 2.535 386 H HA 0.241 4.799 4.556 0.003 0.000 0.273 386 H C 0.720 175.949 175.328 -0.165 0.000 0.983 386 H CA 0.023 56.056 56.048 -0.026 0.000 1.238 386 H CB -0.777 28.943 29.762 -0.069 0.000 1.412 386 H HN 0.008 nan 8.280 nan 0.000 0.562 387 M N 2.209 121.513 119.600 -0.493 0.000 2.108 387 M HA 0.120 4.601 4.480 0.003 0.000 0.347 387 M C -0.064 176.234 176.300 -0.002 0.000 1.326 387 M CA 0.141 55.247 55.300 -0.323 0.000 1.126 387 M CB 0.670 33.091 32.600 -0.298 0.000 1.606 387 M HN 0.441 nan 8.290 nan 0.000 0.462 388 H N 0.730 119.756 119.070 -0.074 0.000 2.548 388 H HA 0.083 4.641 4.556 0.003 0.000 0.265 388 H C -0.230 174.959 175.328 -0.232 0.000 0.969 388 H CA -0.358 55.627 56.048 -0.105 0.000 1.155 388 H CB 0.167 29.895 29.762 -0.056 0.000 1.394 388 H HN 0.672 nan 8.280 nan 0.000 0.570 389 N N -0.780 117.805 118.700 -0.192 0.000 3.204 389 N HA 0.115 4.857 4.740 0.003 0.000 0.285 389 N C -1.146 174.001 175.510 -0.606 0.000 1.536 389 N CA -0.898 51.868 53.050 -0.472 0.000 0.832 389 N CB 0.192 38.526 38.487 -0.255 0.000 1.645 389 N HN -0.093 nan 8.380 nan 0.000 0.586 390 F N 0.166 119.884 119.950 -0.386 0.000 2.916 390 F HA 0.261 4.790 4.527 0.003 0.000 0.294 390 F C 1.890 177.548 175.800 -0.238 0.000 1.189 390 F CA -0.613 57.123 58.000 -0.440 0.000 1.369 390 F CB 0.095 38.600 39.000 -0.824 0.000 0.961 390 F HN 0.659 nan 8.300 nan 0.000 0.508 391 S N -0.019 115.656 115.700 -0.043 0.000 2.440 391 S HA -0.189 4.282 4.470 0.003 0.000 0.238 391 S C 2.132 176.735 174.600 0.005 0.000 1.010 391 S CA 1.489 59.667 58.200 -0.038 0.000 0.972 391 S CB -0.882 62.289 63.200 -0.047 0.000 0.774 391 S HN 0.395 nan 8.310 nan 0.000 0.501 392 V N -2.327 117.606 119.914 0.032 0.000 3.026 392 V HA 0.131 4.253 4.120 0.003 0.000 0.265 392 V C 1.480 177.448 176.094 -0.210 0.000 1.121 392 V CA 1.242 63.494 62.300 -0.080 0.000 1.142 392 V CB -1.534 30.227 31.823 -0.104 0.000 0.730 392 V HN 0.522 nan 8.190 nan 0.000 0.503 393 F N -0.164 119.852 119.950 0.110 0.000 2.647 393 F HA 0.385 4.914 4.527 0.003 0.000 0.300 393 F C 2.252 178.112 175.800 0.100 0.000 1.106 393 F CA 0.311 58.394 58.000 0.138 0.000 1.313 393 F CB 0.172 39.315 39.000 0.238 0.000 1.007 393 F HN -0.014 nan 8.300 nan 0.000 0.536 394 S N 0.745 116.526 115.700 0.134 0.000 2.414 394 S HA -0.287 4.184 4.470 0.003 0.000 0.241 394 S C 1.757 176.398 174.600 0.067 0.000 1.079 394 S CA 1.899 60.133 58.200 0.056 0.000 1.087 394 S CB -0.244 62.968 63.200 0.020 0.000 0.927 394 S HN 0.403 nan 8.310 nan 0.000 0.456 395 N N 0.571 119.329 118.700 0.096 0.000 2.322 395 N HA 0.182 4.923 4.740 0.003 0.000 0.194 395 N C -0.458 175.113 175.510 0.100 0.000 1.126 395 N CA -0.038 53.061 53.050 0.082 0.000 0.845 395 N CB -0.011 38.519 38.487 0.072 0.000 0.976 395 N HN 0.263 nan 8.380 nan 0.000 0.475 396 L N 1.395 122.700 121.223 0.137 0.000 2.315 396 L HA 0.178 4.520 4.340 0.003 0.000 0.283 396 L C 1.446 178.322 176.870 0.010 0.000 1.089 396 L CA 0.386 55.286 54.840 0.099 0.000 0.833 396 L CB 0.544 42.675 42.059 0.120 0.000 1.170 396 L HN 0.112 nan 8.230 nan 0.000 0.442 397 T N -0.477 114.083 114.554 0.011 0.000 3.037 397 T HA 0.204 4.556 4.350 0.003 0.000 0.251 397 T C 0.459 175.150 174.700 -0.016 0.000 1.079 397 T CA 0.534 62.634 62.100 -0.001 0.000 1.067 397 T CB -0.119 68.764 68.868 0.024 0.000 0.948 397 T HN 0.580 nan 8.240 nan 0.000 0.496 398 T N 1.624 116.160 114.554 -0.029 0.000 3.237 398 T HA 0.581 4.933 4.350 0.003 0.000 0.319 398 T C -1.122 173.545 174.700 -0.055 0.000 1.037 398 T CA -0.560 61.524 62.100 -0.027 0.000 1.048 398 T CB 1.630 70.499 68.868 0.002 0.000 1.081 398 T HN 0.234 nan 8.240 nan 0.000 0.455 399 I N 2.316 122.847 120.570 -0.065 0.000 2.382 399 I HA 0.432 4.604 4.170 0.003 0.000 0.286 399 I C 1.415 177.513 176.117 -0.032 0.000 1.002 399 I CA -0.593 60.661 61.300 -0.078 0.000 1.135 399 I CB 1.839 39.761 38.000 -0.131 0.000 1.288 399 I HN 0.879 nan 8.210 nan 0.000 0.448 400 G N 3.468 112.256 108.800 -0.021 0.000 2.394 400 G HA2 0.077 4.038 3.960 0.003 0.000 0.214 400 G HA3 0.077 4.038 3.960 0.003 0.000 0.214 400 G C 1.239 176.146 174.900 0.011 0.000 1.176 400 G CA 0.689 45.788 45.100 -0.001 0.000 0.786 400 G HN 1.001 nan 8.290 nan 0.000 0.533 401 G N -0.353 108.460 108.800 0.022 0.000 2.160 401 G HA2 -0.300 3.661 3.960 0.003 0.000 0.251 401 G HA3 -0.300 3.661 3.960 0.003 0.000 0.251 401 G C 1.062 175.989 174.900 0.046 0.000 1.008 401 G CA 0.843 45.971 45.100 0.046 0.000 0.724 401 G HN 0.595 nan 8.290 nan 0.000 0.514 402 R N 0.208 120.731 120.500 0.037 0.000 2.189 402 R HA 0.177 4.518 4.340 0.003 0.000 0.218 402 R C 1.274 177.604 176.300 0.050 0.000 1.074 402 R CA 1.485 57.604 56.100 0.033 0.000 0.991 402 R CB -0.046 30.266 30.300 0.020 0.000 0.883 402 R HN 0.777 nan 8.270 nan 0.000 0.457 403 S N -1.184 114.567 115.700 0.085 0.000 2.564 403 S HA 0.589 5.061 4.470 0.003 0.000 0.274 403 S C -0.700 174.064 174.600 0.273 0.000 1.124 403 S CA -1.121 57.161 58.200 0.138 0.000 0.869 403 S CB 2.154 65.427 63.200 0.122 0.000 1.105 403 S HN 0.037 nan 8.310 nan 0.000 0.472 404 L N 0.515 121.897 121.223 0.265 0.000 2.250 404 L HA 0.612 4.953 4.340 0.003 0.000 0.252 404 L C -0.025 176.875 176.870 0.051 0.000 1.054 404 L CA -0.946 54.025 54.840 0.220 0.000 0.856 404 L CB 1.025 43.140 42.059 0.093 0.000 1.443 404 L HN 0.822 nan 8.230 nan 0.000 0.427 405 Y N -0.201 119.928 120.300 -0.285 0.000 2.610 405 Y HA 0.262 4.814 4.550 0.003 0.000 0.234 405 Y C 1.615 177.414 175.900 -0.168 0.000 1.050 405 Y CA 0.748 58.558 58.100 -0.484 0.000 1.381 405 Y CB 0.040 38.007 38.460 -0.823 0.000 1.187 405 Y HN 0.573 nan 8.280 nan 0.000 0.495 406 N N 0.326 118.994 118.700 -0.053 0.000 1.926 406 N HA 0.096 4.837 4.740 0.003 0.000 0.224 406 N C -0.223 175.348 175.510 0.102 0.000 1.082 406 N CA 0.586 53.612 53.050 -0.039 0.000 1.048 406 N CB -0.222 38.318 38.487 0.088 0.000 1.362 406 N HN 0.113 nan 8.380 nan 0.000 0.515 407 R N 0.074 120.743 120.500 0.282 0.000 4.071 407 R HA 0.345 4.686 4.340 0.003 0.000 0.220 407 R C 0.093 176.238 176.300 -0.257 0.000 1.614 407 R CA 0.213 56.321 56.100 0.013 0.000 1.505 407 R CB -0.152 30.164 30.300 0.027 0.000 1.384 407 R HN 0.680 nan 8.270 nan 0.000 0.758 408 G N 1.091 109.805 108.800 -0.143 0.000 2.212 408 G HA2 -0.288 3.674 3.960 0.003 0.000 0.255 408 G HA3 -0.288 3.674 3.960 0.003 0.000 0.255 408 G C -0.302 174.434 174.900 -0.273 0.000 1.062 408 G CA -0.511 44.474 45.100 -0.192 0.000 0.815 408 G HN 0.369 nan 8.290 nan 0.000 0.497 409 F N 0.727 120.666 119.950 -0.019 0.000 2.408 409 F HA 0.521 5.050 4.527 0.003 0.000 0.344 409 F C 1.533 177.326 175.800 -0.011 0.000 1.112 409 F CA 0.032 58.022 58.000 -0.016 0.000 1.096 409 F CB 1.953 40.945 39.000 -0.013 0.000 1.129 409 F HN 0.159 nan 8.300 nan 0.000 0.486 410 S N 2.130 117.929 115.700 0.165 0.000 2.497 410 S HA 0.243 4.714 4.470 0.003 0.000 0.221 410 S C -0.147 174.503 174.600 0.084 0.000 1.037 410 S CA -0.085 58.197 58.200 0.137 0.000 0.920 410 S CB 0.248 63.489 63.200 0.069 0.000 0.800 410 S HN 0.432 nan 8.310 nan 0.000 0.505 411 L N 1.387 122.637 121.223 0.045 0.000 2.404 411 L HA 0.699 5.041 4.340 0.003 0.000 0.272 411 L C -1.408 175.445 176.870 -0.029 0.000 0.980 411 L CA -0.830 53.977 54.840 -0.055 0.000 0.836 411 L CB 1.884 43.867 42.059 -0.126 0.000 1.238 411 L HN 0.380 nan 8.230 nan 0.000 0.408 412 L N 6.360 127.507 121.223 -0.128 0.000 2.349 412 L HA 0.663 5.004 4.340 0.003 0.000 0.278 412 L C -1.324 175.453 176.870 -0.155 0.000 0.996 412 L CA -0.295 54.442 54.840 -0.171 0.000 0.825 412 L CB 1.307 43.119 42.059 -0.412 0.000 1.243 412 L HN 0.649 nan 8.230 nan 0.000 0.412 413 I N 7.145 127.707 120.570 -0.015 0.000 2.623 413 I HA 0.297 4.468 4.170 0.003 0.000 0.275 413 I C -0.437 175.740 176.117 0.100 0.000 1.108 413 I CA -0.290 61.008 61.300 -0.003 0.000 1.120 413 I CB 1.370 39.386 38.000 0.026 0.000 1.249 413 I HN 0.656 nan 8.210 nan 0.000 0.500 414 M N 6.059 125.695 119.600 0.060 0.000 2.456 414 M HA 0.462 4.944 4.480 0.003 0.000 0.324 414 M C 0.366 176.718 176.300 0.086 0.000 1.124 414 M CA -0.281 55.086 55.300 0.112 0.000 0.959 414 M CB 1.896 34.526 32.600 0.051 0.000 1.692 414 M HN 0.506 nan 8.290 nan 0.000 0.444 415 K N 0.699 121.157 120.400 0.097 0.000 3.160 415 K HA -0.157 4.165 4.320 0.003 0.000 0.280 415 K C -1.545 175.110 176.600 0.092 0.000 1.154 415 K CA 1.227 57.562 56.287 0.081 0.000 0.822 415 K CB -2.646 29.894 32.500 0.067 0.000 1.239 415 K HN 0.923 nan 8.250 nan 0.000 0.489 416 N N 1.532 120.294 118.700 0.104 0.000 2.437 416 N HA 0.171 4.913 4.740 0.003 0.000 0.243 416 N C 0.851 176.404 175.510 0.072 0.000 1.041 416 N CA -0.215 52.907 53.050 0.120 0.000 0.940 416 N CB 0.944 39.536 38.487 0.175 0.000 1.133 416 N HN 0.245 nan 8.380 nan 0.000 0.506 417 L N 1.531 122.798 121.223 0.074 0.000 2.554 417 L HA 0.128 4.469 4.340 0.003 0.000 0.225 417 L C 0.437 177.325 176.870 0.030 0.000 1.104 417 L CA 0.550 55.420 54.840 0.049 0.000 0.866 417 L CB 0.026 42.117 42.059 0.053 0.000 1.047 417 L HN 0.303 nan 8.230 nan 0.000 0.468 418 N N -1.047 117.678 118.700 0.041 0.000 2.275 418 N HA 0.105 4.846 4.740 0.003 0.000 0.236 418 N C -0.462 175.035 175.510 -0.022 0.000 1.154 418 N CA -0.003 53.058 53.050 0.018 0.000 0.866 418 N CB 1.257 39.795 38.487 0.085 0.000 1.093 418 N HN -0.115 nan 8.380 nan 0.000 0.515 419 V N 1.205 121.085 119.914 -0.056 0.000 2.348 419 V HA 0.100 4.221 4.120 0.003 0.000 0.270 419 V C 0.976 177.004 176.094 -0.111 0.000 1.037 419 V CA 0.061 62.273 62.300 -0.147 0.000 0.872 419 V CB 1.058 32.699 31.823 -0.303 0.000 1.002 419 V HN 0.346 nan 8.190 nan 0.000 0.464 420 T N 2.555 117.059 114.554 -0.084 0.000 2.812 420 T HA 0.014 4.365 4.350 0.003 0.000 0.264 420 T C 0.696 175.456 174.700 0.099 0.000 1.042 420 T CA 1.061 63.165 62.100 0.007 0.000 1.140 420 T CB 0.040 68.925 68.868 0.029 0.000 0.870 420 T HN 0.741 nan 8.240 nan 0.000 0.445 421 S N -0.867 114.836 115.700 0.004 0.000 2.625 421 S HA 0.606 5.078 4.470 0.003 0.000 0.271 421 S C 0.528 175.071 174.600 -0.096 0.000 1.161 421 S CA -0.993 57.237 58.200 0.051 0.000 0.820 421 S CB 1.179 64.398 63.200 0.031 0.000 1.137 421 S HN 0.059 nan 8.310 nan 0.000 0.470 422 L N 0.844 122.098 121.223 0.051 0.000 1.993 422 L HA 0.279 4.620 4.340 0.003 0.000 0.206 422 L C 2.193 178.874 176.870 -0.315 0.000 1.074 422 L CA 1.217 56.053 54.840 -0.007 0.000 0.746 422 L CB -1.213 41.105 42.059 0.432 0.000 0.896 422 L HN 1.242 nan 8.230 nan 0.000 0.435 423 G N -0.591 108.149 108.800 -0.100 0.000 2.143 423 G HA2 -0.299 3.663 3.960 0.003 0.000 0.249 423 G HA3 -0.299 3.663 3.960 0.003 0.000 0.249 423 G C 0.228 174.948 174.900 -0.300 0.000 0.981 423 G CA -0.186 44.816 45.100 -0.164 0.000 0.665 423 G HN 0.259 nan 8.290 nan 0.000 0.528 424 F N 1.338 121.086 119.950 -0.337 0.000 2.626 424 F HA 0.275 4.804 4.527 0.003 0.000 0.374 424 F C 2.060 177.230 175.800 -1.050 0.000 1.184 424 F CA 0.082 57.651 58.000 -0.719 0.000 1.339 424 F CB -0.005 38.362 39.000 -1.054 0.000 1.730 424 F HN 0.123 nan 8.300 nan 0.000 0.650 425 R N 0.619 120.918 120.500 -0.335 0.000 2.133 425 R HA -0.219 4.123 4.340 0.003 0.000 0.247 425 R C 1.961 178.207 176.300 -0.091 0.000 1.151 425 R CA 1.792 57.812 56.100 -0.132 0.000 0.971 425 R CB -0.085 30.198 30.300 -0.029 0.000 0.866 425 R HN 0.482 nan 8.270 nan 0.000 0.447 426 S N -0.770 114.857 115.700 -0.121 0.000 2.754 426 S HA 0.139 4.610 4.470 0.003 0.000 0.247 426 S C -0.158 174.418 174.600 -0.040 0.000 1.031 426 S CA -0.750 57.435 58.200 -0.026 0.000 1.014 426 S CB 0.415 63.620 63.200 0.007 0.000 0.918 426 S HN 0.107 nan 8.310 nan 0.000 0.519 427 L N 2.512 123.644 121.223 -0.152 0.000 2.315 427 L HA 0.527 4.869 4.340 0.003 0.000 0.283 427 L C 0.665 177.592 176.870 0.096 0.000 1.089 427 L CA 0.573 55.340 54.840 -0.122 0.000 0.833 427 L CB 0.498 42.316 42.059 -0.401 0.000 1.170 427 L HN 0.160 nan 8.230 nan 0.000 0.442 428 K N 3.392 123.839 120.400 0.078 0.000 2.450 428 K HA 0.217 4.538 4.320 0.003 0.000 0.206 428 K C -0.332 176.324 176.600 0.093 0.000 1.148 428 K CA 0.019 56.371 56.287 0.109 0.000 1.014 428 K CB 1.264 33.812 32.500 0.079 0.000 0.966 428 K HN 0.618 nan 8.250 nan 0.000 0.566 429 E N 1.469 121.710 120.200 0.068 0.000 2.287 429 E HA 0.289 4.640 4.350 0.003 0.000 0.274 429 E C -1.452 175.175 176.600 0.046 0.000 0.896 429 E CA -0.345 56.092 56.400 0.061 0.000 0.788 429 E CB 1.394 31.120 29.700 0.043 0.000 1.244 429 E HN 0.019 nan 8.360 nan 0.000 0.408 430 I N 4.322 124.936 120.570 0.074 0.000 2.330 430 I HA 0.157 4.328 4.170 0.003 0.000 0.286 430 I C 0.940 177.084 176.117 0.044 0.000 1.025 430 I CA -0.263 61.067 61.300 0.050 0.000 1.197 430 I CB 1.617 39.665 38.000 0.081 0.000 1.358 430 I HN 0.550 nan 8.210 nan 0.000 0.467 431 S N 4.185 119.901 115.700 0.026 0.000 2.383 431 S HA 0.094 4.565 4.470 0.003 0.000 0.227 431 S C 0.771 175.384 174.600 0.021 0.000 1.026 431 S CA 1.055 59.270 58.200 0.025 0.000 0.981 431 S CB 0.136 63.347 63.200 0.018 0.000 0.818 431 S HN 0.807 nan 8.310 nan 0.000 0.472 432 A N -1.021 121.809 122.820 0.017 0.000 2.568 432 A HA 0.710 5.032 4.320 0.003 0.000 0.291 432 A C 0.132 177.717 177.584 0.002 0.000 1.159 432 A CA -0.203 51.839 52.037 0.008 0.000 0.679 432 A CB 0.337 19.341 19.000 0.007 0.000 1.285 432 A HN 1.183 nan 8.150 nan 0.000 0.428 433 G N -0.566 108.222 108.800 -0.021 0.000 2.760 433 G HA2 0.058 4.019 3.960 0.003 0.000 0.246 433 G HA3 0.058 4.019 3.960 0.003 0.000 0.246 433 G C -0.480 174.372 174.900 -0.080 0.000 1.359 433 G CA -0.006 45.065 45.100 -0.048 0.000 0.861 433 G HN 1.021 nan 8.290 nan 0.000 0.541 434 R N -1.308 119.104 120.500 -0.146 0.000 2.782 434 R HA 0.786 5.127 4.340 0.003 0.000 0.258 434 R C -0.302 176.006 176.300 0.013 0.000 1.055 434 R CA -0.892 55.091 56.100 -0.195 0.000 1.065 434 R CB 1.481 31.470 30.300 -0.518 0.000 1.172 434 R HN 0.443 nan 8.270 nan 0.000 0.510 435 I N 1.326 121.913 120.570 0.028 0.000 2.436 435 I HA 0.242 4.413 4.170 0.003 0.000 0.289 435 I C -1.366 174.839 176.117 0.146 0.000 1.010 435 I CA -0.641 60.666 61.300 0.012 0.000 1.098 435 I CB 1.575 39.353 38.000 -0.371 0.000 1.266 435 I HN 0.508 nan 8.210 nan 0.000 0.434 436 Y N 7.694 128.026 120.300 0.052 0.000 2.345 436 Y HA 0.641 5.193 4.550 0.003 0.000 0.331 436 Y C -0.879 174.943 175.900 -0.130 0.000 0.959 436 Y CA -0.579 57.475 58.100 -0.077 0.000 1.204 436 Y CB 1.083 39.272 38.460 -0.451 0.000 1.135 436 Y HN 0.381 nan 8.280 nan 0.000 0.477 437 I N 5.603 126.046 120.570 -0.212 0.000 2.521 437 I HA 0.352 4.524 4.170 0.003 0.000 0.277 437 I C -0.802 175.201 176.117 -0.191 0.000 1.054 437 I CA 0.009 61.254 61.300 -0.091 0.000 1.117 437 I CB 1.174 39.141 38.000 -0.054 0.000 1.217 437 I HN 0.442 nan 8.210 nan 0.000 0.469 438 S N 3.155 118.810 115.700 -0.075 0.000 2.564 438 S HA 0.737 5.209 4.470 0.003 0.000 0.274 438 S C 0.483 175.147 174.600 0.107 0.000 1.124 438 S CA 0.026 58.195 58.200 -0.051 0.000 0.869 438 S CB 2.140 65.210 63.200 -0.217 0.000 1.105 438 S HN 0.840 nan 8.310 nan 0.000 0.472 439 A N 2.076 124.961 122.820 0.109 0.000 2.899 439 A HA -0.165 4.157 4.320 0.003 0.000 0.257 439 A C 0.040 177.668 177.584 0.072 0.000 1.335 439 A CA 0.667 52.766 52.037 0.103 0.000 0.924 439 A CB -2.205 16.855 19.000 0.100 0.000 1.105 439 A HN 0.733 nan 8.150 nan 0.000 0.765 440 N N 0.552 119.280 118.700 0.047 0.000 2.968 440 N HA 0.138 4.880 4.740 0.003 0.000 0.271 440 N C 1.200 176.722 175.510 0.020 0.000 1.174 440 N CA -0.197 52.868 53.050 0.025 0.000 1.096 440 N CB 0.304 38.786 38.487 -0.009 0.000 1.403 440 N HN 0.497 nan 8.380 nan 0.000 0.522 441 R N 0.637 121.160 120.500 0.037 0.000 2.185 441 R HA -0.177 4.164 4.340 0.003 0.000 0.247 441 R C 0.987 177.309 176.300 0.037 0.000 1.159 441 R CA 1.449 57.576 56.100 0.044 0.000 0.988 441 R CB 0.179 30.501 30.300 0.037 0.000 0.871 441 R HN 0.571 nan 8.270 nan 0.000 0.458 442 Q N -0.057 119.753 119.800 0.016 0.000 2.217 442 Q HA 0.118 4.460 4.340 0.003 0.000 0.217 442 Q C -0.482 175.525 176.000 0.011 0.000 0.844 442 Q CA -0.376 55.431 55.803 0.007 0.000 0.957 442 Q CB 0.648 29.373 28.738 -0.022 0.000 1.127 442 Q HN 0.056 nan 8.270 nan 0.000 0.503 443 L N 0.764 121.986 121.223 -0.001 0.000 2.410 443 L HA 0.129 4.471 4.340 0.003 0.000 0.273 443 L C -0.690 176.230 176.870 0.083 0.000 1.144 443 L CA 0.402 55.231 54.840 -0.018 0.000 0.863 443 L CB 0.570 42.537 42.059 -0.153 0.000 1.140 443 L HN 0.060 nan 8.230 nan 0.000 0.463 444 c N 2.874 121.566 118.600 0.154 0.000 2.967 444 c HA 0.504 5.075 4.570 0.003 0.000 0.372 444 c C 0.389 174.650 174.090 0.285 0.000 1.455 444 c CA -0.246 56.165 56.329 0.138 0.000 1.638 444 c CB 1.031 43.442 42.510 -0.164 0.000 2.096 444 c HN 0.975 nan 8.230 nan 0.000 0.466 445 Y N -1.070 119.306 120.300 0.127 0.000 4.535 445 Y HA -0.293 4.258 4.550 0.003 0.000 0.301 445 Y C 1.904 177.785 175.900 -0.031 0.000 1.046 445 Y CA 1.733 59.859 58.100 0.043 0.000 1.970 445 Y CB -1.920 36.567 38.460 0.044 0.000 1.093 445 Y HN 0.913 nan 8.280 nan 0.000 0.460 446 H N -0.869 118.183 119.070 -0.030 0.000 2.547 446 H HA 0.088 4.645 4.556 0.003 0.000 0.266 446 H C 1.489 176.772 175.328 -0.075 0.000 0.988 446 H CA 1.342 57.361 56.048 -0.048 0.000 1.147 446 H CB -0.341 29.447 29.762 0.043 0.000 1.365 446 H HN 0.558 nan 8.280 nan 0.000 0.589 447 H N 1.381 120.140 119.070 -0.519 0.000 2.363 447 H HA -0.055 4.502 4.556 0.003 0.000 0.301 447 H C 2.069 177.274 175.328 -0.206 0.000 1.074 447 H CA 1.824 57.608 56.048 -0.441 0.000 1.354 447 H CB 0.208 29.745 29.762 -0.375 0.000 1.397 447 H HN 0.555 nan 8.280 nan 0.000 0.516 448 S N 0.287 115.950 115.700 -0.060 0.000 2.535 448 S HA 0.050 4.522 4.470 0.003 0.000 0.214 448 S C 0.901 175.408 174.600 -0.154 0.000 0.980 448 S CA -0.375 57.777 58.200 -0.081 0.000 0.907 448 S CB -0.395 62.761 63.200 -0.072 0.000 0.790 448 S HN 0.096 nan 8.310 nan 0.000 0.510 449 L N 3.054 124.128 121.223 -0.248 0.000 2.540 449 L HA 0.236 4.577 4.340 0.003 0.000 0.276 449 L C -0.013 176.584 176.870 -0.455 0.000 1.212 449 L CA 0.148 54.697 54.840 -0.485 0.000 0.893 449 L CB 0.149 41.725 42.059 -0.804 0.000 1.138 449 L HN 0.171 nan 8.230 nan 0.000 0.491 450 N N 3.790 122.247 118.700 -0.406 0.000 2.602 450 N HA 0.111 4.853 4.740 0.003 0.000 0.238 450 N C -0.007 175.354 175.510 -0.249 0.000 1.084 450 N CA -0.076 52.836 53.050 -0.230 0.000 0.952 450 N CB 0.339 38.740 38.487 -0.144 0.000 1.244 450 N HN 0.552 nan 8.380 nan 0.000 0.512 451 W N 0.746 122.018 121.300 -0.045 0.000 2.468 451 W HA -0.150 4.512 4.660 0.003 0.000 0.262 451 W C 2.290 178.812 176.519 0.006 0.000 1.241 451 W CA 0.922 58.260 57.345 -0.011 0.000 1.232 451 W CB -0.245 29.221 29.460 0.009 0.000 1.124 451 W HN 0.515 nan 8.180 nan 0.000 0.597 452 T N -2.524 112.125 114.554 0.159 0.000 3.023 452 T HA -0.063 4.288 4.350 0.003 0.000 0.266 452 T C 1.579 176.320 174.700 0.069 0.000 1.093 452 T CA 0.664 62.829 62.100 0.109 0.000 1.129 452 T CB -0.173 68.739 68.868 0.073 0.000 0.899 452 T HN 0.075 nan 8.240 nan 0.000 0.491 453 K N 0.650 121.069 120.400 0.032 0.000 2.209 453 K HA 0.048 4.370 4.320 0.003 0.000 0.204 453 K C 1.872 178.507 176.600 0.058 0.000 1.048 453 K CA 0.885 57.184 56.287 0.018 0.000 0.940 453 K CB -0.120 32.361 32.500 -0.032 0.000 0.729 453 K HN 0.337 nan 8.250 nan 0.000 0.451 454 V N 0.189 120.165 119.914 0.102 0.000 3.090 454 V HA 0.045 4.167 4.120 0.003 0.000 0.237 454 V C 0.285 176.485 176.094 0.177 0.000 1.209 454 V CA -0.130 62.267 62.300 0.161 0.000 1.209 454 V CB 0.314 32.279 31.823 0.237 0.000 0.971 454 V HN 0.102 nan 8.190 nan 0.000 0.477 455 L N 1.900 123.250 121.223 0.211 0.000 2.326 455 L HA 0.457 4.799 4.340 0.003 0.000 0.278 455 L C 0.078 177.010 176.870 0.104 0.000 1.092 455 L CA 0.324 55.265 54.840 0.168 0.000 0.810 455 L CB 0.619 42.795 42.059 0.195 0.000 1.153 455 L HN 0.084 nan 8.230 nan 0.000 0.439 456 R N 4.038 124.580 120.500 0.071 0.000 2.514 456 R HA 0.786 5.128 4.340 0.003 0.000 0.301 456 R C -0.013 176.307 176.300 0.033 0.000 0.962 456 R CA -0.093 56.036 56.100 0.049 0.000 0.882 456 R CB 1.342 31.666 30.300 0.041 0.000 1.143 456 R HN 0.983 nan 8.270 nan 0.000 0.452 457 G N 3.194 112.010 108.800 0.028 0.000 2.396 457 G HA2 -0.150 3.812 3.960 0.003 0.000 0.254 457 G HA3 -0.150 3.812 3.960 0.003 0.000 0.254 457 G C -2.764 172.145 174.900 0.015 0.000 1.248 457 G CA -1.203 43.907 45.100 0.016 0.000 1.033 457 G HN 0.410 nan 8.290 nan 0.000 0.502 458 P HA 0.304 nan 4.420 nan 0.000 0.267 458 P C 0.985 178.287 177.300 0.004 0.000 1.205 458 P CA 0.624 63.725 63.100 0.003 0.000 0.765 458 P CB 0.788 32.485 31.700 -0.005 0.000 0.828 459 T N -1.520 113.040 114.554 0.011 0.000 3.100 459 T HA 0.016 4.367 4.350 0.003 0.000 0.253 459 T C 0.660 175.360 174.700 -0.000 0.000 1.118 459 T CA -0.115 61.994 62.100 0.015 0.000 1.058 459 T CB -0.311 68.577 68.868 0.034 0.000 0.953 459 T HN 0.282 nan 8.240 nan 0.000 0.515 460 E N 2.616 122.813 120.200 -0.006 0.000 2.924 460 E HA -0.079 4.272 4.350 0.003 0.000 0.236 460 E C 0.104 176.688 176.600 -0.027 0.000 1.028 460 E CA 0.567 56.959 56.400 -0.014 0.000 0.952 460 E CB -0.253 29.438 29.700 -0.014 0.000 0.918 460 E HN 0.611 nan 8.360 nan 0.000 0.536 461 E N 2.659 122.842 120.200 -0.028 0.000 2.252 461 E HA -0.279 4.072 4.350 0.003 0.000 0.199 461 E C 0.094 176.656 176.600 -0.063 0.000 1.352 461 E CA 0.872 57.248 56.400 -0.039 0.000 0.682 461 E CB -0.656 29.023 29.700 -0.036 0.000 1.142 461 E HN 0.660 nan 8.360 nan 0.000 0.367 462 R N 0.322 120.780 120.500 -0.070 0.000 2.486 462 R HA 0.253 4.594 4.340 0.003 0.000 0.388 462 R C -0.671 175.560 176.300 -0.115 0.000 0.810 462 R CA -0.484 55.551 56.100 -0.108 0.000 1.057 462 R CB 0.011 30.239 30.300 -0.121 0.000 1.670 462 R HN 0.037 nan 8.270 nan 0.000 0.551 463 L N 1.381 122.541 121.223 -0.106 0.000 2.313 463 L HA 0.494 4.836 4.340 0.003 0.000 0.283 463 L C -0.641 176.169 176.870 -0.100 0.000 1.013 463 L CA -0.867 53.883 54.840 -0.151 0.000 0.816 463 L CB 1.895 43.828 42.059 -0.209 0.000 1.236 463 L HN 0.047 nan 8.230 nan 0.000 0.419 464 D N 4.963 125.308 120.400 -0.092 0.000 2.485 464 D HA 0.374 5.016 4.640 0.003 0.000 0.256 464 D C -0.665 175.436 176.300 -0.332 0.000 1.141 464 D CA -0.122 53.784 54.000 -0.157 0.000 0.942 464 D CB 0.602 41.375 40.800 -0.046 0.000 1.003 464 D HN 0.336 nan 8.370 nan 0.000 0.507 465 I N 3.920 124.360 120.570 -0.216 0.000 2.464 465 I HA 0.241 4.413 4.170 0.003 0.000 0.277 465 I C -0.182 175.872 176.117 -0.105 0.000 1.040 465 I CA -0.608 60.590 61.300 -0.171 0.000 1.153 465 I CB 0.698 38.660 38.000 -0.063 0.000 1.274 465 I HN 0.061 nan 8.210 nan 0.000 0.469 466 K N 3.409 123.719 120.400 -0.151 0.000 2.509 466 K HA 0.544 4.865 4.320 0.003 0.000 0.266 466 K C -0.091 176.476 176.600 -0.055 0.000 0.987 466 K CA -0.938 55.252 56.287 -0.162 0.000 0.868 466 K CB 1.084 33.423 32.500 -0.269 0.000 1.421 466 K HN 0.262 nan 8.250 nan 0.000 0.444 467 H N -0.222 118.862 119.070 0.024 0.000 2.690 467 H HA -0.181 4.377 4.556 0.003 0.000 0.309 467 H C -0.479 174.871 175.328 0.037 0.000 1.138 467 H CA 0.726 56.793 56.048 0.032 0.000 1.142 467 H CB -1.574 28.201 29.762 0.020 0.000 1.410 467 H HN 0.649 nan 8.280 nan 0.000 0.409 468 N N 0.639 119.422 118.700 0.138 0.000 2.577 468 N HA 0.155 4.897 4.740 0.003 0.000 0.296 468 N C 1.009 176.608 175.510 0.149 0.000 1.357 468 N CA -0.742 52.365 53.050 0.096 0.000 0.896 468 N CB 0.744 39.216 38.487 -0.026 0.000 1.102 468 N HN 0.233 nan 8.380 nan 0.000 0.506 469 R N 1.359 121.967 120.500 0.179 0.000 2.438 469 R HA 0.222 4.564 4.340 0.003 0.000 0.287 469 R C -2.359 174.111 176.300 0.283 0.000 1.077 469 R CA -1.023 55.194 56.100 0.195 0.000 1.034 469 R CB 0.311 30.711 30.300 0.166 0.000 0.993 469 R HN 0.264 nan 8.270 nan 0.000 0.459 470 P HA 0.052 nan 4.420 nan 0.000 0.271 470 P C -0.199 177.027 177.300 -0.124 0.000 1.226 470 P CA -0.065 63.053 63.100 0.031 0.000 0.765 470 P CB 0.891 32.592 31.700 0.002 0.000 0.835 471 R N 3.382 123.568 120.500 -0.523 0.000 2.196 471 R HA -0.316 4.025 4.340 0.003 0.000 0.244 471 R C 2.177 178.295 176.300 -0.303 0.000 1.121 471 R CA 2.246 57.904 56.100 -0.738 0.000 0.930 471 R CB -0.423 29.464 30.300 -0.687 0.000 0.890 471 R HN 0.426 nan 8.270 nan 0.000 0.435 472 R N 0.075 120.453 120.500 -0.203 0.000 2.224 472 R HA -0.273 4.069 4.340 0.003 0.000 0.251 472 R C 1.624 177.868 176.300 -0.094 0.000 1.123 472 R CA 2.559 58.587 56.100 -0.121 0.000 0.944 472 R CB -0.586 29.663 30.300 -0.084 0.000 0.910 472 R HN 0.392 nan 8.270 nan 0.000 0.440 473 D N -0.304 120.052 120.400 -0.074 0.000 2.097 473 D HA -0.131 4.510 4.640 0.003 0.000 0.195 473 D C 2.092 178.356 176.300 -0.061 0.000 0.989 473 D CA 1.478 55.448 54.000 -0.049 0.000 0.827 473 D CB -0.711 40.075 40.800 -0.023 0.000 0.966 473 D HN 0.390 nan 8.370 nan 0.000 0.456 474 c N 0.618 119.173 118.600 -0.076 0.000 2.398 474 c HA -0.113 4.458 4.570 0.003 0.000 0.276 474 c C 2.962 176.980 174.090 -0.121 0.000 1.222 474 c CA 0.336 56.599 56.329 -0.109 0.000 1.746 474 c CB -1.005 41.443 42.510 -0.104 0.000 2.039 474 c HN 0.177 nan 8.230 nan 0.000 0.470 475 V N 1.299 121.143 119.914 -0.117 0.000 2.594 475 V HA -0.174 3.947 4.120 0.003 0.000 0.253 475 V C 2.605 178.659 176.094 -0.066 0.000 1.069 475 V CA 2.051 64.294 62.300 -0.095 0.000 1.082 475 V CB -1.197 30.567 31.823 -0.098 0.000 0.680 475 V HN 0.635 nan 8.190 nan 0.000 0.469 476 A N 0.406 123.190 122.820 -0.060 0.000 1.898 476 A HA -0.115 4.206 4.320 0.003 0.000 0.214 476 A C 2.047 179.612 177.584 -0.032 0.000 1.183 476 A CA 1.159 53.171 52.037 -0.041 0.000 0.622 476 A CB -0.252 18.727 19.000 -0.036 0.000 0.824 476 A HN 0.641 nan 8.150 nan 0.000 0.444 477 E N -0.680 119.499 120.200 -0.036 0.000 2.502 477 E HA 0.248 4.599 4.350 0.003 0.000 0.194 477 E C 0.936 177.525 176.600 -0.018 0.000 1.062 477 E CA 0.344 56.730 56.400 -0.023 0.000 0.867 477 E CB -0.235 29.453 29.700 -0.021 0.000 0.888 477 E HN 0.749 nan 8.360 nan 0.000 0.510 478 G N 2.521 111.303 108.800 -0.031 0.000 2.160 478 G HA2 -0.315 3.647 3.960 0.003 0.000 0.244 478 G HA3 -0.315 3.647 3.960 0.003 0.000 0.244 478 G C 0.139 175.030 174.900 -0.016 0.000 1.022 478 G CA 0.140 45.230 45.100 -0.016 0.000 0.741 478 G HN 0.217 nan 8.290 nan 0.000 0.508 479 K N 0.511 120.848 120.400 -0.105 0.000 2.758 479 K HA 0.459 4.780 4.320 0.003 0.000 0.250 479 K C 0.649 176.920 176.600 -0.550 0.000 1.268 479 K CA 0.191 56.296 56.287 -0.304 0.000 1.228 479 K CB 0.465 32.730 32.500 -0.393 0.000 1.715 479 K HN 0.572 nan 8.250 nan 0.000 0.334 480 V N -3.223 116.612 119.914 -0.131 0.000 3.158 480 V HA 0.413 4.535 4.120 0.003 0.000 0.311 480 V C 0.436 176.658 176.094 0.213 0.000 1.181 480 V CA -1.517 60.773 62.300 -0.017 0.000 1.054 480 V CB 1.246 33.049 31.823 -0.033 0.000 1.085 480 V HN 0.249 nan 8.190 nan 0.000 0.446 481 c N 1.541 120.237 118.600 0.160 0.000 2.597 481 c HA 0.143 4.715 4.570 0.003 0.000 0.412 481 c C 0.853 174.985 174.090 0.071 0.000 1.348 481 c CA 0.418 56.817 56.329 0.116 0.000 1.769 481 c CB -1.267 41.261 42.510 0.031 0.000 2.641 481 c HN 1.092 nan 8.230 nan 0.000 0.612 482 D N 2.793 123.224 120.400 0.051 0.000 2.472 482 D HA 0.066 4.707 4.640 0.003 0.000 0.237 482 D C -1.334 174.974 176.300 0.013 0.000 1.141 482 D CA -0.611 53.406 54.000 0.029 0.000 0.875 482 D CB 0.705 41.513 40.800 0.012 0.000 1.192 482 D HN 0.340 nan 8.370 nan 0.000 0.450 483 P HA -0.149 nan 4.420 nan 0.000 0.217 483 P C 1.066 178.365 177.300 -0.001 0.000 1.148 483 P CA 1.009 64.111 63.100 0.004 0.000 0.828 483 P CB 0.127 31.832 31.700 0.009 0.000 0.783 484 L N -2.198 119.025 121.223 -0.001 0.000 2.478 484 L HA -0.033 4.309 4.340 0.003 0.000 0.223 484 L C 0.843 177.703 176.870 -0.017 0.000 1.140 484 L CA 0.113 54.950 54.840 -0.005 0.000 0.842 484 L CB -0.669 41.389 42.059 -0.001 0.000 0.953 484 L HN 0.004 nan 8.230 nan 0.000 0.452 485 c N 0.128 118.715 118.600 -0.021 0.000 2.604 485 c HA 0.309 4.881 4.570 0.003 0.000 0.396 485 c C 1.421 175.485 174.090 -0.043 0.000 1.282 485 c CA -1.204 55.104 56.329 -0.035 0.000 2.292 485 c CB 0.806 43.289 42.510 -0.045 0.000 2.633 485 c HN 0.456 nan 8.230 nan 0.000 0.620 486 S N 1.457 117.125 115.700 -0.054 0.000 2.641 486 S HA 0.153 4.625 4.470 0.003 0.000 0.261 486 S C 0.999 175.559 174.600 -0.067 0.000 1.257 486 S CA 0.028 58.194 58.200 -0.056 0.000 0.983 486 S CB 0.407 63.572 63.200 -0.059 0.000 0.990 486 S HN 0.952 nan 8.310 nan 0.000 0.572 487 S N -0.569 115.093 115.700 -0.063 0.000 2.584 487 S HA 0.039 4.510 4.470 0.003 0.000 0.240 487 S C 1.704 176.245 174.600 -0.097 0.000 0.975 487 S CA 0.368 58.526 58.200 -0.070 0.000 0.949 487 S CB -1.242 61.924 63.200 -0.056 0.000 0.761 487 S HN 1.023 nan 8.310 nan 0.000 0.536 488 G N 1.287 110.019 108.800 -0.113 0.000 2.509 488 G HA2 0.383 4.345 3.960 0.003 0.000 0.218 488 G HA3 0.383 4.345 3.960 0.003 0.000 0.218 488 G C 0.924 175.676 174.900 -0.245 0.000 1.124 488 G CA 0.127 45.129 45.100 -0.164 0.000 0.776 488 G HN 1.210 nan 8.290 nan 0.000 0.547 489 G N -1.659 107.019 108.800 -0.204 0.000 2.760 489 G HA2 0.065 4.026 3.960 0.003 0.000 0.246 489 G HA3 0.065 4.026 3.960 0.003 0.000 0.246 489 G C 0.030 174.752 174.900 -0.297 0.000 1.359 489 G CA -0.165 44.795 45.100 -0.233 0.000 0.861 489 G HN 1.468 nan 8.290 nan 0.000 0.541 490 c N -3.650 114.780 118.600 -0.283 0.000 2.913 490 c HA 0.831 5.403 4.570 0.003 0.000 0.322 490 c C 0.609 174.485 174.090 -0.357 0.000 1.292 490 c CA -0.845 55.326 56.329 -0.263 0.000 1.649 490 c CB 0.992 43.458 42.510 -0.074 0.000 2.139 490 c HN 0.963 nan 8.230 nan 0.000 0.475 491 W N 1.143 122.414 121.300 -0.047 0.000 3.330 491 W HA 0.523 5.184 4.660 0.003 0.000 0.348 491 W C 1.108 177.550 176.519 -0.128 0.000 1.205 491 W CA 0.617 57.943 57.345 -0.031 0.000 1.841 491 W CB 0.058 29.516 29.460 -0.003 0.000 1.084 491 W HN 1.347 nan 8.180 nan 0.000 0.665 492 G N -0.075 108.645 108.800 -0.133 0.000 2.337 492 G HA2 0.128 4.089 3.960 0.003 0.000 0.298 492 G HA3 0.128 4.089 3.960 0.003 0.000 0.298 492 G C -3.150 171.312 174.900 -0.730 0.000 1.335 492 G CA -1.323 43.407 45.100 -0.616 0.000 0.875 492 G HN -0.386 nan 8.290 nan 0.000 0.579 493 P HA 0.502 nan 4.420 nan 0.000 0.275 493 P C 0.617 177.835 177.300 -0.137 0.000 1.228 493 P CA 1.430 64.334 63.100 -0.326 0.000 0.786 493 P CB 1.247 32.841 31.700 -0.177 0.000 0.927 494 G N 3.467 112.238 108.800 -0.049 0.000 2.690 494 G HA2 -0.129 3.833 3.960 0.003 0.000 0.686 494 G HA3 -0.129 3.833 3.960 0.003 0.000 0.686 494 G C -2.224 172.663 174.900 -0.022 0.000 1.277 494 G CA -0.564 44.521 45.100 -0.025 0.000 0.799 494 G HN 0.256 nan 8.290 nan 0.000 0.613 495 P HA -0.145 nan 4.420 nan 0.000 0.218 495 P C 1.855 179.149 177.300 -0.011 0.000 1.154 495 P CA 2.412 65.503 63.100 -0.014 0.000 0.872 495 P CB -0.076 31.613 31.700 -0.018 0.000 0.790 496 G N -1.273 107.520 108.800 -0.012 0.000 3.210 496 G HA2 -0.095 3.867 3.960 0.003 0.000 0.220 496 G HA3 -0.095 3.867 3.960 0.003 0.000 0.220 496 G C 1.086 175.999 174.900 0.021 0.000 1.200 496 G CA 0.078 45.176 45.100 -0.002 0.000 0.834 496 G HN 0.240 nan 8.290 nan 0.000 0.524 497 Q N -0.465 119.350 119.800 0.026 0.000 2.164 497 Q HA 0.131 4.472 4.340 0.003 0.000 0.226 497 Q C 0.505 176.581 176.000 0.125 0.000 0.813 497 Q CA -0.126 55.724 55.803 0.079 0.000 0.978 497 Q CB 0.641 29.382 28.738 0.005 0.000 1.149 497 Q HN 0.440 nan 8.270 nan 0.000 0.489 498 c N 0.698 119.335 118.600 0.062 0.000 2.657 498 c HA 0.175 4.747 4.570 0.003 0.000 0.404 498 c C 2.329 176.448 174.090 0.048 0.000 1.291 498 c CA -0.416 55.918 56.329 0.009 0.000 2.218 498 c CB -0.058 42.444 42.510 -0.013 0.000 2.687 498 c HN 0.452 nan 8.230 nan 0.000 0.634 499 L N 1.388 122.567 121.223 -0.073 0.000 2.376 499 L HA 0.018 4.360 4.340 0.003 0.000 0.219 499 L C 1.030 177.910 176.870 0.016 0.000 1.133 499 L CA 1.275 56.101 54.840 -0.023 0.000 0.816 499 L CB -0.195 41.742 42.059 -0.203 0.000 0.933 499 L HN 1.021 nan 8.230 nan 0.000 0.449 500 S N -2.937 112.755 115.700 -0.013 0.000 2.714 500 S HA 0.147 4.619 4.470 0.003 0.000 0.284 500 S C -0.723 173.858 174.600 -0.032 0.000 1.019 500 S CA -1.295 56.896 58.200 -0.015 0.000 0.856 500 S CB 0.266 63.451 63.200 -0.024 0.000 1.075 500 S HN 0.003 nan 8.310 nan 0.000 0.455 501 c N 2.615 121.194 118.600 -0.034 0.000 2.347 501 c HA 0.597 5.168 4.570 0.003 0.000 0.366 501 c C 2.317 176.373 174.090 -0.056 0.000 1.241 501 c CA -0.817 55.488 56.329 -0.041 0.000 2.360 501 c CB 0.593 43.080 42.510 -0.038 0.000 2.290 501 c HN 1.040 nan 8.230 nan 0.000 0.587 502 R N 0.531 120.999 120.500 -0.054 0.000 2.062 502 R HA -0.029 4.312 4.340 0.003 0.000 0.226 502 R C 0.894 177.132 176.300 -0.103 0.000 1.125 502 R CA 1.370 57.432 56.100 -0.062 0.000 0.966 502 R CB -0.071 30.205 30.300 -0.040 0.000 0.861 502 R HN 0.750 nan 8.270 nan 0.000 0.433 503 N N -0.980 117.645 118.700 -0.124 0.000 2.599 503 N HA 0.055 4.797 4.740 0.003 0.000 0.147 503 N C 0.023 175.328 175.510 -0.341 0.000 1.447 503 N CA 0.094 52.973 53.050 -0.285 0.000 1.107 503 N CB -0.533 37.814 38.487 -0.233 0.000 1.169 503 N HN -0.049 nan 8.380 nan 0.000 0.388 504 Y N 0.857 121.144 120.300 -0.022 0.000 2.403 504 Y HA 0.492 5.044 4.550 0.003 0.000 0.323 504 Y C 0.763 176.602 175.900 -0.101 0.000 1.226 504 Y CA -0.720 57.342 58.100 -0.064 0.000 1.235 504 Y CB 1.347 39.758 38.460 -0.081 0.000 1.248 504 Y HN 0.246 nan 8.280 nan 0.000 0.489 505 S N 1.452 117.177 115.700 0.043 0.000 2.570 505 S HA 0.733 5.205 4.470 0.003 0.000 0.286 505 S C -1.192 173.313 174.600 -0.157 0.000 1.099 505 S CA -1.176 56.989 58.200 -0.059 0.000 0.913 505 S CB 2.340 65.501 63.200 -0.065 0.000 1.085 505 S HN 0.731 nan 8.310 nan 0.000 0.480 506 R N 0.551 120.949 120.500 -0.170 0.000 2.476 506 R HA 0.556 4.898 4.340 0.003 0.000 0.305 506 R C 0.584 176.785 176.300 -0.164 0.000 0.965 506 R CA 0.281 56.246 56.100 -0.225 0.000 0.867 506 R CB 0.815 30.981 30.300 -0.222 0.000 1.176 506 R HN 1.609 nan 8.270 nan 0.000 0.447 507 G N 2.683 111.380 108.800 -0.171 0.000 2.366 507 G HA2 -0.220 3.742 3.960 0.003 0.000 0.299 507 G HA3 -0.220 3.742 3.960 0.003 0.000 0.299 507 G C 0.759 175.618 174.900 -0.068 0.000 1.020 507 G CA 0.652 45.692 45.100 -0.099 0.000 1.026 507 G HN 1.497 nan 8.290 nan 0.000 0.512 508 G N -3.149 105.609 108.800 -0.070 0.000 2.179 508 G HA2 0.037 3.999 3.960 0.003 0.000 0.257 508 G HA3 0.037 3.999 3.960 0.003 0.000 0.257 508 G C 0.245 175.127 174.900 -0.031 0.000 1.010 508 G CA 0.616 45.694 45.100 -0.036 0.000 0.736 508 G HN 1.721 nan 8.290 nan 0.000 0.513 509 V N 0.159 120.043 119.914 -0.050 0.000 2.638 509 V HA 0.442 4.563 4.120 0.003 0.000 0.306 509 V C 0.843 176.908 176.094 -0.048 0.000 1.052 509 V CA -0.870 61.405 62.300 -0.042 0.000 0.885 509 V CB 1.816 33.609 31.823 -0.050 0.000 0.999 509 V HN 0.431 nan 8.190 nan 0.000 0.424 510 c N 5.158 123.739 118.600 -0.032 0.000 2.644 510 c HA 0.648 5.220 4.570 0.003 0.000 0.417 510 c C 0.500 174.571 174.090 -0.032 0.000 1.304 510 c CA -0.385 55.928 56.329 -0.027 0.000 2.035 510 c CB -0.156 42.343 42.510 -0.017 0.000 2.673 510 c HN 0.817 nan 8.230 nan 0.000 0.602 511 V N 1.022 120.921 119.914 -0.024 0.000 3.181 511 V HA 0.692 4.814 4.120 0.003 0.000 0.308 511 V C 0.404 176.509 176.094 0.019 0.000 1.214 511 V CA -0.201 62.071 62.300 -0.047 0.000 1.053 511 V CB 1.317 33.057 31.823 -0.139 0.000 1.069 511 V HN 0.820 nan 8.190 nan 0.000 0.441 512 T N -1.891 112.677 114.554 0.023 0.000 3.035 512 T HA 0.220 4.572 4.350 0.003 0.000 0.259 512 T C 0.578 175.469 174.700 0.318 0.000 1.078 512 T CA 1.474 63.682 62.100 0.180 0.000 1.132 512 T CB -0.540 68.492 68.868 0.272 0.000 0.900 512 T HN 1.378 nan 8.240 nan 0.000 0.480 513 H N -1.645 117.477 119.070 0.088 0.000 3.003 513 H HA 0.478 5.035 4.556 0.003 0.000 0.327 513 H C -1.458 173.684 175.328 -0.311 0.000 1.353 513 H CA -1.321 54.728 56.048 0.002 0.000 1.142 513 H CB 0.532 30.307 29.762 0.022 0.000 1.864 513 H HN 0.127 nan 8.280 nan 0.000 0.529 514 c N 1.038 119.220 118.600 -0.697 0.000 2.382 514 c HA 0.234 4.806 4.570 0.003 0.000 0.363 514 c C 0.768 174.492 174.090 -0.610 0.000 1.213 514 c CA -0.803 54.969 56.329 -0.928 0.000 2.363 514 c CB 0.081 41.623 42.510 -1.615 0.000 2.397 514 c HN 0.651 nan 8.230 nan 0.000 0.573 515 N N 1.624 120.059 118.700 -0.441 0.000 2.671 515 N HA 0.113 4.855 4.740 0.003 0.000 0.274 515 N C 0.224 175.621 175.510 -0.188 0.000 1.188 515 N CA 0.223 53.168 53.050 -0.175 0.000 1.065 515 N CB 0.012 38.432 38.487 -0.111 0.000 1.415 515 N HN 0.608 nan 8.380 nan 0.000 0.511 516 F N 0.089 120.047 119.950 0.013 0.000 2.188 516 F HA 0.134 4.662 4.527 0.002 0.000 0.289 516 F C 1.770 177.586 175.800 0.027 0.000 1.082 516 F CA 0.558 58.568 58.000 0.017 0.000 1.282 516 F CB 0.341 39.348 39.000 0.011 0.000 1.060 516 F HN 0.209 nan 8.300 nan 0.000 0.493 517 L N -0.031 121.325 121.223 0.221 0.000 2.808 517 L HA 0.279 4.620 4.340 0.003 0.000 0.246 517 L C -0.893 176.023 176.870 0.076 0.000 1.153 517 L CA -0.234 54.680 54.840 0.125 0.000 0.956 517 L CB -0.548 41.569 42.059 0.097 0.000 1.270 517 L HN 0.281 nan 8.230 nan 0.000 0.528 518 N N -0.922 117.819 118.700 0.069 0.000 3.951 518 N HA 0.532 5.273 4.740 0.003 0.000 0.222 518 N C -0.499 175.031 175.510 0.034 0.000 1.352 518 N CA 0.165 53.240 53.050 0.042 0.000 0.852 518 N CB 0.629 39.135 38.487 0.031 0.000 1.444 518 N HN -0.014 nan 8.380 nan 0.000 0.473 519 G N -0.394 108.420 108.800 0.022 0.000 2.423 519 G HA2 0.036 3.997 3.960 0.003 0.000 0.684 519 G HA3 0.036 3.997 3.960 0.003 0.000 0.684 519 G C -0.022 174.876 174.900 -0.004 0.000 1.309 519 G CA 0.284 45.394 45.100 0.015 0.000 0.950 519 G HN 0.803 nan 8.290 nan 0.000 0.587 520 E N 0.461 120.652 120.200 -0.014 0.000 2.059 520 E HA -0.096 4.256 4.350 0.003 0.000 0.237 520 E C -1.013 175.576 176.600 -0.018 0.000 1.023 520 E CA 2.216 58.605 56.400 -0.019 0.000 0.918 520 E CB -0.840 28.841 29.700 -0.031 0.000 0.824 520 E HN 0.639 nan 8.360 nan 0.000 0.534 521 P HA 0.296 nan 4.420 nan 0.000 0.290 521 P C -0.949 176.335 177.300 -0.026 0.000 1.275 521 P CA -0.501 62.587 63.100 -0.019 0.000 0.841 521 P CB 1.274 32.961 31.700 -0.023 0.000 1.042 522 R N 1.260 121.763 120.500 0.004 0.000 2.441 522 R HA 0.426 4.768 4.340 0.003 0.000 0.284 522 R C 0.160 176.476 176.300 0.028 0.000 1.070 522 R CA 0.092 56.203 56.100 0.017 0.000 1.047 522 R CB 0.205 30.533 30.300 0.047 0.000 1.016 522 R HN 0.499 nan 8.270 nan 0.000 0.477 523 E N 1.721 121.919 120.200 -0.003 0.000 2.410 523 E HA 0.445 4.797 4.350 0.003 0.000 0.269 523 E C -1.156 175.519 176.600 0.126 0.000 0.937 523 E CA -0.812 55.572 56.400 -0.026 0.000 0.793 523 E CB 1.715 31.253 29.700 -0.269 0.000 1.314 523 E HN 0.436 nan 8.360 nan 0.000 0.447 524 F N -0.779 119.222 119.950 0.084 0.000 2.654 524 F HA 0.917 5.446 4.527 0.003 0.000 0.334 524 F C -1.145 174.818 175.800 0.271 0.000 1.078 524 F CA -1.141 57.005 58.000 0.244 0.000 0.986 524 F CB 1.096 40.229 39.000 0.221 0.000 1.362 524 F HN 0.432 nan 8.300 nan 0.000 0.498 525 A N 0.880 123.996 122.820 0.493 0.000 2.374 525 A HA 0.720 5.041 4.320 0.003 0.000 0.317 525 A C -2.093 175.833 177.584 0.570 0.000 1.094 525 A CA -0.601 51.641 52.037 0.343 0.000 0.765 525 A CB 0.952 20.246 19.000 0.490 0.000 1.268 525 A HN 1.050 nan 8.150 nan 0.000 0.438 526 H N 0.665 119.971 119.070 0.392 0.000 3.017 526 H HA 0.389 4.947 4.556 0.003 0.000 0.340 526 H C -0.647 174.881 175.328 0.333 0.000 1.014 526 H CA -0.092 56.202 56.048 0.410 0.000 1.341 526 H CB 0.679 30.718 29.762 0.463 0.000 1.739 526 H HN 0.865 nan 8.280 nan 0.000 0.506 527 E N 4.412 124.475 120.200 -0.228 0.000 2.210 527 E HA -0.262 4.089 4.350 0.003 0.000 0.201 527 E C 0.428 177.022 176.600 -0.010 0.000 1.339 527 E CA 0.652 56.946 56.400 -0.178 0.000 0.699 527 E CB -1.417 28.102 29.700 -0.300 0.000 1.126 527 E HN 1.023 nan 8.360 nan 0.000 0.355 528 A N -0.256 122.609 122.820 0.074 0.000 2.945 528 A HA -0.322 3.999 4.320 0.003 0.000 0.263 528 A C 0.402 178.069 177.584 0.138 0.000 1.293 528 A CA 2.138 54.216 52.037 0.068 0.000 0.944 528 A CB -1.093 17.858 19.000 -0.081 0.000 1.093 528 A HN 0.573 nan 8.150 nan 0.000 0.786 529 E N -0.771 119.479 120.200 0.083 0.000 2.195 529 E HA 0.534 4.886 4.350 0.003 0.000 0.271 529 E C -0.458 175.911 176.600 -0.385 0.000 0.923 529 E CA -0.537 55.759 56.400 -0.174 0.000 0.790 529 E CB 1.184 30.699 29.700 -0.309 0.000 1.155 529 E HN 0.497 nan 8.360 nan 0.000 0.402 530 c N 4.447 122.724 118.600 -0.538 0.000 2.347 530 c HA 0.499 5.071 4.570 0.003 0.000 0.353 530 c C -0.564 173.019 174.090 -0.845 0.000 1.273 530 c CA -0.596 55.368 56.329 -0.608 0.000 1.861 530 c CB -1.255 40.951 42.510 -0.506 0.000 2.420 530 c HN 0.518 nan 8.230 nan 0.000 0.542 531 F N 0.895 120.521 119.950 -0.539 0.000 2.577 531 F HA 0.426 4.954 4.527 0.003 0.000 0.318 531 F C 0.699 176.292 175.800 -0.344 0.000 1.065 531 F CA -0.488 57.230 58.000 -0.471 0.000 0.929 531 F CB 1.233 39.817 39.000 -0.694 0.000 1.237 531 F HN 0.422 nan 8.300 nan 0.000 0.468 532 S N 0.753 116.510 115.700 0.095 0.000 2.564 532 S HA 0.183 4.655 4.470 0.003 0.000 0.278 532 S C -0.309 174.459 174.600 0.280 0.000 1.333 532 S CA -0.702 57.568 58.200 0.116 0.000 1.048 532 S CB 0.377 63.625 63.200 0.080 0.000 0.900 532 S HN 0.612 nan 8.310 nan 0.000 0.505 533 c N 2.814 121.571 118.600 0.262 0.000 2.703 533 c HA 0.107 4.679 4.570 0.003 0.000 0.411 533 c C 1.092 175.306 174.090 0.206 0.000 1.290 533 c CA -0.296 56.199 56.329 0.277 0.000 2.054 533 c CB -1.004 41.626 42.510 0.198 0.000 2.732 533 c HN 0.912 nan 8.230 nan 0.000 0.650 534 H N 2.862 121.998 119.070 0.110 0.000 3.038 534 H HA 0.060 4.618 4.556 0.003 0.000 0.338 534 H C -1.497 173.872 175.328 0.067 0.000 1.041 534 H CA -0.211 55.886 56.048 0.081 0.000 1.394 534 H CB 0.651 30.446 29.762 0.056 0.000 1.357 534 H HN 0.408 nan 8.280 nan 0.000 0.600 535 P HA -0.118 nan 4.420 nan 0.000 0.223 535 P C 0.897 178.293 177.300 0.160 0.000 1.151 535 P CA 0.848 63.960 63.100 0.020 0.000 0.787 535 P CB 0.355 32.024 31.700 -0.052 0.000 0.788 536 E N -0.953 119.502 120.200 0.424 0.000 2.347 536 E HA -0.047 4.304 4.350 0.003 0.000 0.196 536 E C 0.392 177.045 176.600 0.088 0.000 1.008 536 E CA 0.151 56.725 56.400 0.291 0.000 0.852 536 E CB -0.928 28.974 29.700 0.337 0.000 0.783 536 E HN 0.222 nan 8.360 nan 0.000 0.505 537 c N 1.734 120.397 118.600 0.106 0.000 2.662 537 c HA 0.105 4.676 4.570 0.003 0.000 0.420 537 c C 0.944 175.017 174.090 -0.028 0.000 1.314 537 c CA -0.652 55.692 56.329 0.026 0.000 1.963 537 c CB -0.170 42.376 42.510 0.059 0.000 2.686 537 c HN 0.249 nan 8.230 nan 0.000 0.609 538 Q N 4.075 123.842 119.800 -0.055 0.000 2.295 538 Q HA 0.286 4.628 4.340 0.003 0.000 0.259 538 Q C -2.419 173.566 176.000 -0.026 0.000 0.976 538 Q CA -0.936 54.827 55.803 -0.066 0.000 0.923 538 Q CB 0.560 29.251 28.738 -0.078 0.000 1.185 538 Q HN 0.439 nan 8.270 nan 0.000 0.410 539 P HA 0.010 nan 4.420 nan 0.000 0.266 539 P C -0.987 176.315 177.300 0.003 0.000 1.215 539 P CA 0.267 63.369 63.100 0.004 0.000 0.763 539 P CB 0.477 32.178 31.700 0.003 0.000 0.806 540 M N 2.606 122.215 119.600 0.015 0.000 2.314 540 M HA 0.226 4.708 4.480 0.003 0.000 0.342 540 M C 0.566 176.878 176.300 0.019 0.000 1.171 540 M CA -0.383 54.925 55.300 0.013 0.000 1.098 540 M CB 0.521 33.132 32.600 0.018 0.000 1.559 540 M HN 0.238 nan 8.290 nan 0.000 0.459 541 E N 1.393 121.601 120.200 0.013 0.000 2.046 541 E HA 0.470 4.822 4.350 0.003 0.000 0.279 541 E C 0.968 177.579 176.600 0.017 0.000 0.989 541 E CA 0.032 56.441 56.400 0.015 0.000 0.798 541 E CB 0.659 30.364 29.700 0.008 0.000 1.086 541 E HN 0.968 nan 8.360 nan 0.000 0.399 542 G N 3.126 111.941 108.800 0.026 0.000 2.195 542 G HA2 -0.272 3.690 3.960 0.003 0.000 0.246 542 G HA3 -0.272 3.690 3.960 0.003 0.000 0.246 542 G C 0.516 175.434 174.900 0.029 0.000 0.984 542 G CA 0.550 45.666 45.100 0.025 0.000 0.633 542 G HN 0.679 nan 8.290 nan 0.000 0.525 543 T N -1.740 112.834 114.554 0.033 0.000 2.906 543 T HA 0.860 5.212 4.350 0.003 0.000 0.295 543 T C 0.284 175.015 174.700 0.051 0.000 1.075 543 T CA 0.648 62.766 62.100 0.030 0.000 1.005 543 T CB 1.848 70.725 68.868 0.015 0.000 1.136 543 T HN 1.852 nan 8.240 nan 0.000 0.498 544 A N 1.755 124.609 122.820 0.056 0.000 2.483 544 A HA 0.478 4.800 4.320 0.003 0.000 0.238 544 A C 1.327 178.957 177.584 0.075 0.000 1.070 544 A CA 0.089 52.182 52.037 0.094 0.000 0.770 544 A CB -0.368 18.687 19.000 0.092 0.000 1.008 544 A HN 0.982 nan 8.150 nan 0.000 0.497 545 T N 0.099 114.712 114.554 0.099 0.000 3.010 545 T HA 0.105 4.456 4.350 0.003 0.000 0.252 545 T C 0.687 175.424 174.700 0.063 0.000 1.047 545 T CA 1.334 63.477 62.100 0.071 0.000 1.140 545 T CB -0.546 68.368 68.868 0.077 0.000 0.885 545 T HN 1.147 nan 8.240 nan 0.000 0.464 546 c N -0.139 118.517 118.600 0.093 0.000 3.291 546 c HA 0.724 5.295 4.570 0.003 0.000 0.316 546 c C 0.739 174.845 174.090 0.027 0.000 1.391 546 c CA -1.006 55.348 56.329 0.041 0.000 1.394 546 c CB 1.097 43.633 42.510 0.044 0.000 1.744 546 c HN 0.044 nan 8.230 nan 0.000 0.461 547 N N -0.027 118.617 118.700 -0.094 0.000 2.499 547 N HA 0.397 5.138 4.740 0.003 0.000 0.182 547 N C 0.749 176.030 175.510 -0.381 0.000 1.034 547 N CA 1.551 54.527 53.050 -0.124 0.000 0.882 547 N CB 0.497 38.914 38.487 -0.118 0.000 1.125 547 N HN 1.073 nan 8.380 nan 0.000 0.436 548 G N -0.949 107.467 108.800 -0.640 0.000 3.107 548 G HA2 0.336 4.297 3.960 0.003 0.000 0.233 548 G HA3 0.336 4.297 3.960 0.003 0.000 0.233 548 G C 0.142 174.385 174.900 -1.094 0.000 1.168 548 G CA 0.378 44.688 45.100 -1.317 0.000 0.801 548 G HN 0.127 nan 8.290 nan 0.000 0.605 549 S N -1.217 114.099 115.700 -0.640 0.000 2.505 549 S HA 0.358 4.829 4.470 0.003 0.000 0.216 549 S C 1.268 175.891 174.600 0.037 0.000 1.018 549 S CA 0.794 58.941 58.200 -0.088 0.000 0.911 549 S CB -0.025 63.263 63.200 0.146 0.000 0.818 549 S HN 1.067 nan 8.310 nan 0.000 0.497 550 G N 1.514 110.280 108.800 -0.056 0.000 2.594 550 G HA2 0.373 4.334 3.960 0.003 0.000 0.243 550 G HA3 0.373 4.334 3.960 0.003 0.000 0.243 550 G C 0.694 175.535 174.900 -0.098 0.000 1.229 550 G CA 0.063 45.149 45.100 -0.023 0.000 0.843 550 G HN 0.550 nan 8.290 nan 0.000 0.578 551 S N -0.647 114.903 115.700 -0.250 0.000 2.603 551 S HA -0.040 4.431 4.470 0.003 0.000 0.220 551 S C 1.095 175.565 174.600 -0.216 0.000 0.967 551 S CA 0.752 58.716 58.200 -0.393 0.000 0.920 551 S CB 0.163 62.881 63.200 -0.804 0.000 0.773 551 S HN 0.645 nan 8.310 nan 0.000 0.529 552 D N 1.638 121.914 120.400 -0.207 0.000 2.328 552 D HA -0.012 4.630 4.640 0.003 0.000 0.226 552 D C 1.249 177.427 176.300 -0.203 0.000 1.066 552 D CA 0.731 54.557 54.000 -0.291 0.000 0.861 552 D CB -0.486 40.057 40.800 -0.428 0.000 0.912 552 D HN 0.555 nan 8.370 nan 0.000 0.521 553 T N -2.955 111.500 114.554 -0.165 0.000 3.084 553 T HA 0.224 4.576 4.350 0.003 0.000 0.270 553 T C 0.571 175.207 174.700 -0.106 0.000 1.008 553 T CA -0.494 61.519 62.100 -0.145 0.000 0.900 553 T CB -1.007 67.751 68.868 -0.183 0.000 1.084 553 T HN 0.059 nan 8.240 nan 0.000 0.538 554 c N 2.096 120.643 118.600 -0.088 0.000 2.676 554 c HA 0.676 5.247 4.570 0.003 0.000 0.416 554 c C 2.387 176.445 174.090 -0.053 0.000 1.299 554 c CA -0.030 56.268 56.329 -0.051 0.000 2.048 554 c CB -0.015 42.465 42.510 -0.049 0.000 2.713 554 c HN 0.710 nan 8.230 nan 0.000 0.624 555 A N 2.003 124.804 122.820 -0.031 0.000 1.969 555 A HA -0.051 4.271 4.320 0.003 0.000 0.218 555 A C 0.838 178.398 177.584 -0.040 0.000 1.169 555 A CA 1.496 53.514 52.037 -0.032 0.000 0.635 555 A CB -0.082 18.910 19.000 -0.015 0.000 0.810 555 A HN 0.904 nan 8.150 nan 0.000 0.445 556 Q N -1.947 117.828 119.800 -0.042 0.000 2.403 556 Q HA 0.344 4.686 4.340 0.003 0.000 0.267 556 Q C -1.950 174.013 176.000 -0.061 0.000 0.991 556 Q CA -0.796 54.977 55.803 -0.050 0.000 0.906 556 Q CB 1.867 30.578 28.738 -0.045 0.000 1.422 556 Q HN 0.364 nan 8.270 nan 0.000 0.400 557 c N 2.087 120.646 118.600 -0.070 0.000 2.514 557 c HA 0.423 4.994 4.570 0.003 0.000 0.392 557 c C 1.805 175.803 174.090 -0.153 0.000 1.294 557 c CA 0.170 56.450 56.329 -0.082 0.000 1.957 557 c CB 0.050 42.532 42.510 -0.046 0.000 2.541 557 c HN 1.007 nan 8.230 nan 0.000 0.569 558 A N 2.496 125.173 122.820 -0.237 0.000 1.908 558 A HA -0.142 4.179 4.320 0.003 0.000 0.218 558 A C 1.442 178.662 177.584 -0.606 0.000 1.181 558 A CA 1.911 53.662 52.037 -0.476 0.000 0.627 558 A CB -0.408 18.169 19.000 -0.704 0.000 0.818 558 A HN 1.032 nan 8.150 nan 0.000 0.445 559 H N -4.014 114.956 119.070 -0.166 0.000 3.022 559 H HA 0.528 5.086 4.556 0.003 0.000 0.180 559 H C -0.532 174.391 175.328 -0.675 0.000 1.111 559 H CA -0.218 55.557 56.048 -0.455 0.000 1.304 559 H CB 0.469 30.066 29.762 -0.276 0.000 1.290 559 H HN 0.351 nan 8.280 nan 0.000 0.441 560 F N -0.076 119.981 119.950 0.177 0.000 2.603 560 F HA 0.524 5.053 4.527 0.003 0.000 0.317 560 F C -0.304 175.532 175.800 0.059 0.000 1.066 560 F CA -1.013 57.043 58.000 0.094 0.000 0.941 560 F CB 2.019 41.072 39.000 0.089 0.000 1.291 560 F HN -0.132 nan 8.300 nan 0.000 0.472 561 R N 1.182 121.810 120.500 0.213 0.000 2.337 561 R HA 0.254 4.595 4.340 0.003 0.000 0.319 561 R C -1.606 174.743 176.300 0.083 0.000 0.954 561 R CA -0.543 55.613 56.100 0.094 0.000 0.840 561 R CB 0.824 31.132 30.300 0.013 0.000 1.164 561 R HN 0.613 nan 8.270 nan 0.000 0.472 562 D N 3.816 124.280 120.400 0.106 0.000 2.499 562 D HA 0.301 4.943 4.640 0.003 0.000 0.225 562 D C 0.789 177.088 176.300 -0.002 0.000 1.124 562 D CA 0.892 54.974 54.000 0.136 0.000 0.938 562 D CB 0.708 41.651 40.800 0.238 0.000 1.014 562 D HN 0.787 nan 8.370 nan 0.000 0.517 563 G N 4.952 113.522 108.800 -0.384 0.000 2.523 563 G HA2 -0.275 3.687 3.960 0.003 0.000 0.271 563 G HA3 -0.275 3.687 3.960 0.003 0.000 0.271 563 G C -1.427 173.164 174.900 -0.514 0.000 1.146 563 G CA 0.036 44.501 45.100 -1.058 0.000 0.961 563 G HN 0.470 nan 8.290 nan 0.000 0.549 564 P HA 0.144 nan 4.420 nan 0.000 0.241 564 P C 0.280 177.328 177.300 -0.422 0.000 1.191 564 P CA 1.019 63.871 63.100 -0.414 0.000 0.771 564 P CB -0.077 31.342 31.700 -0.469 0.000 0.929 565 H N -0.784 118.208 119.070 -0.130 0.000 2.467 565 H HA 0.280 4.837 4.556 0.002 0.000 0.331 565 H C 0.124 175.415 175.328 -0.061 0.000 1.120 565 H CA -0.456 55.538 56.048 -0.090 0.000 1.270 565 H CB 0.460 30.196 29.762 -0.044 0.000 1.466 565 H HN -0.013 nan 8.280 nan 0.000 0.504 566 c N 4.011 122.625 118.600 0.024 0.000 2.415 566 c HA 0.470 5.041 4.570 0.003 0.000 0.369 566 c C 0.231 174.385 174.090 0.106 0.000 1.279 566 c CA -0.810 55.545 56.329 0.044 0.000 1.886 566 c CB -1.196 41.309 42.510 -0.009 0.000 2.468 566 c HN 0.641 nan 8.230 nan 0.000 0.553 567 V N 1.948 121.980 119.914 0.196 0.000 2.823 567 V HA 0.634 4.755 4.120 0.003 0.000 0.312 567 V C 0.650 176.954 176.094 0.351 0.000 1.072 567 V CA -0.218 62.223 62.300 0.236 0.000 0.937 567 V CB 1.493 33.432 31.823 0.194 0.000 1.013 567 V HN 0.873 nan 8.190 nan 0.000 0.430 568 S N 1.942 117.828 115.700 0.310 0.000 2.399 568 S HA 0.023 4.494 4.470 0.003 0.000 0.231 568 S C 0.882 175.668 174.600 0.311 0.000 1.022 568 S CA 0.817 59.185 58.200 0.280 0.000 0.983 568 S CB -0.544 62.736 63.200 0.133 0.000 0.803 568 S HN 2.083 nan 8.310 nan 0.000 0.480 569 S N -1.068 114.747 115.700 0.192 0.000 2.547 569 S HA 0.531 5.002 4.470 0.003 0.000 0.270 569 S C -0.429 174.113 174.600 -0.097 0.000 1.150 569 S CA -0.982 57.198 58.200 -0.033 0.000 0.850 569 S CB 0.643 63.807 63.200 -0.061 0.000 1.118 569 S HN 0.324 nan 8.310 nan 0.000 0.461 570 c N 3.135 121.568 118.600 -0.277 0.000 2.679 570 c HA 0.391 4.962 4.570 0.003 0.000 0.417 570 c C -1.952 172.101 174.090 -0.061 0.000 1.302 570 c CA -0.307 55.936 56.329 -0.144 0.000 1.973 570 c CB -0.679 41.715 42.510 -0.193 0.000 2.715 570 c HN 0.709 nan 8.230 nan 0.000 0.628 571 P HA 0.050 nan 4.420 nan 0.000 0.264 571 P C -0.674 176.570 177.300 -0.093 0.000 1.183 571 P CA 0.786 63.799 63.100 -0.144 0.000 0.763 571 P CB 0.123 31.604 31.700 -0.364 0.000 0.807 572 H N 1.381 120.323 119.070 -0.213 0.000 2.651 572 H HA 0.453 5.011 4.556 0.003 0.000 0.252 572 H C 0.813 175.883 175.328 -0.431 0.000 1.365 572 H CA 0.470 56.403 56.048 -0.191 0.000 1.539 572 H CB -0.307 29.456 29.762 0.001 0.000 1.621 572 H HN 0.635 nan 8.280 nan 0.000 0.526 573 G N 2.111 110.235 108.800 -1.127 0.000 2.144 573 G HA2 -0.259 3.702 3.960 0.003 0.000 0.218 573 G HA3 -0.259 3.702 3.960 0.003 0.000 0.218 573 G C 0.012 174.638 174.900 -0.457 0.000 0.988 573 G CA 0.027 44.540 45.100 -0.979 0.000 0.659 573 G HN 0.536 nan 8.290 nan 0.000 0.522 574 V N 1.321 121.000 119.914 -0.392 0.000 2.763 574 V HA 0.222 4.343 4.120 0.003 0.000 0.306 574 V C 1.411 177.378 176.094 -0.212 0.000 1.059 574 V CA 0.181 62.340 62.300 -0.234 0.000 1.138 574 V CB 1.365 33.048 31.823 -0.233 0.000 0.940 574 V HN 0.334 nan 8.190 nan 0.000 0.489 575 L N 4.687 125.850 121.223 -0.100 0.000 2.283 575 L HA 0.436 4.778 4.340 0.003 0.000 0.287 575 L C 1.008 177.873 176.870 -0.008 0.000 1.073 575 L CA 0.184 54.986 54.840 -0.064 0.000 0.822 575 L CB 0.564 42.599 42.059 -0.040 0.000 1.186 575 L HN 0.867 nan 8.230 nan 0.000 0.436 576 G N 1.599 110.391 108.800 -0.014 0.000 2.543 576 G HA2 0.406 4.367 3.960 0.003 0.000 0.290 576 G HA3 0.406 4.367 3.960 0.003 0.000 0.290 576 G C 0.864 175.777 174.900 0.020 0.000 1.310 576 G CA 0.173 45.297 45.100 0.039 0.000 1.025 576 G HN 0.726 nan 8.290 nan 0.000 0.502 577 A N -0.678 122.158 122.820 0.026 0.000 1.969 577 A HA 0.026 4.347 4.320 0.003 0.000 0.218 577 A C 2.133 179.722 177.584 0.009 0.000 1.169 577 A CA 1.863 53.913 52.037 0.022 0.000 0.635 577 A CB -0.200 18.818 19.000 0.030 0.000 0.810 577 A HN 0.539 nan 8.150 nan 0.000 0.445 578 K N -1.612 118.793 120.400 0.008 0.000 2.334 578 K HA 0.446 4.768 4.320 0.003 0.000 0.195 578 K C 0.838 177.441 176.600 0.005 0.000 1.045 578 K CA 0.677 56.967 56.287 0.004 0.000 1.004 578 K CB 0.462 32.966 32.500 0.007 0.000 0.837 578 K HN 0.541 nan 8.250 nan 0.000 0.510 579 G N 0.775 109.575 108.800 0.001 0.000 2.343 579 G HA2 0.091 4.053 3.960 0.003 0.000 0.289 579 G HA3 0.091 4.053 3.960 0.003 0.000 0.289 579 G C -3.123 171.759 174.900 -0.030 0.000 1.295 579 G CA -1.221 43.879 45.100 -0.000 0.000 0.869 579 G HN -0.230 nan 8.290 nan 0.000 0.522 580 P HA 0.415 nan 4.420 nan 0.000 0.268 580 P C -0.558 176.603 177.300 -0.232 0.000 1.204 580 P CA 0.115 63.110 63.100 -0.174 0.000 0.768 580 P CB 1.024 32.632 31.700 -0.154 0.000 0.842 581 I N 4.261 124.596 120.570 -0.391 0.000 2.385 581 I HA 0.266 4.438 4.170 0.003 0.000 0.294 581 I C -0.092 175.693 176.117 -0.553 0.000 0.988 581 I CA -0.335 60.741 61.300 -0.373 0.000 1.265 581 I CB 0.491 38.191 38.000 -0.501 0.000 1.388 581 I HN 0.274 nan 8.210 nan 0.000 0.480 582 Y N 5.338 125.510 120.300 -0.213 0.000 2.442 582 Y HA 0.603 5.154 4.550 0.002 0.000 0.344 582 Y C -0.258 175.574 175.900 -0.114 0.000 0.976 582 Y CA -0.855 57.114 58.100 -0.219 0.000 1.040 582 Y CB 1.826 40.136 38.460 -0.251 0.000 1.228 582 Y HN 0.353 nan 8.280 nan 0.000 0.451 583 K N 2.279 122.724 120.400 0.074 0.000 2.482 583 K HA 0.502 4.823 4.320 0.003 0.000 0.257 583 K C -1.762 174.909 176.600 0.117 0.000 0.969 583 K CA -1.193 55.124 56.287 0.050 0.000 0.842 583 K CB 3.021 35.489 32.500 -0.053 0.000 1.359 583 K HN 0.636 nan 8.250 nan 0.000 0.441 584 Y N -1.479 118.839 120.300 0.030 0.000 2.524 584 Y HA 0.615 5.166 4.550 0.002 0.000 0.344 584 Y C -2.967 172.932 175.900 -0.002 0.000 1.012 584 Y CA -3.302 54.805 58.100 0.012 0.000 1.068 584 Y CB 1.136 39.616 38.460 0.033 0.000 1.249 584 Y HN 0.300 nan 8.280 nan 0.000 0.468 585 P HA 0.127 nan 4.420 nan 0.000 0.287 585 P C -0.594 176.794 177.300 0.147 0.000 1.294 585 P CA -0.037 63.075 63.100 0.020 0.000 0.776 585 P CB 0.827 32.582 31.700 0.092 0.000 0.889 586 D N 1.595 122.010 120.400 0.025 0.000 2.438 586 D HA -0.115 4.526 4.640 0.003 0.000 0.230 586 D C 1.497 177.899 176.300 0.170 0.000 1.248 586 D CA 0.286 54.356 54.000 0.118 0.000 0.883 586 D CB 0.699 41.535 40.800 0.060 0.000 1.233 586 D HN 0.020 nan 8.370 nan 0.000 0.500 587 V N 1.064 121.067 119.914 0.148 0.000 2.515 587 V HA -0.203 3.919 4.120 0.003 0.000 0.250 587 V C 2.143 178.291 176.094 0.089 0.000 1.058 587 V CA 1.582 63.951 62.300 0.115 0.000 1.064 587 V CB -0.460 31.417 31.823 0.091 0.000 0.675 587 V HN 0.524 nan 8.190 nan 0.000 0.461 588 Q N -0.201 119.645 119.800 0.076 0.000 2.415 588 Q HA 0.054 4.396 4.340 0.003 0.000 0.206 588 Q C 0.622 176.659 176.000 0.061 0.000 0.946 588 Q CA 0.258 56.092 55.803 0.052 0.000 0.951 588 Q CB -0.318 28.441 28.738 0.035 0.000 1.026 588 Q HN 0.768 nan 8.270 nan 0.000 0.510 589 N N -0.008 118.758 118.700 0.111 0.000 2.800 589 N HA -0.185 4.556 4.740 0.003 0.000 0.250 589 N C -1.205 174.428 175.510 0.204 0.000 1.078 589 N CA 0.366 53.530 53.050 0.190 0.000 0.804 589 N CB -0.381 38.158 38.487 0.086 0.000 1.135 589 N HN 0.361 nan 8.380 nan 0.000 0.565 590 E N 0.330 120.591 120.200 0.101 0.000 2.249 590 E HA 0.305 4.656 4.350 0.003 0.000 0.280 590 E C -0.267 176.322 176.600 -0.018 0.000 1.016 590 E CA -0.641 55.788 56.400 0.048 0.000 0.830 590 E CB 1.206 30.905 29.700 -0.002 0.000 1.081 590 E HN 0.168 nan 8.360 nan 0.000 0.395 591 c N 3.349 121.941 118.600 -0.013 0.000 2.629 591 c HA 0.283 4.854 4.570 0.003 0.000 0.410 591 c C 0.607 174.612 174.090 -0.140 0.000 1.339 591 c CA -0.221 56.054 56.329 -0.090 0.000 1.810 591 c CB -0.919 41.591 42.510 -0.001 0.000 2.549 591 c HN 0.633 nan 8.230 nan 0.000 0.589 592 R N 3.470 123.743 120.500 -0.378 0.000 2.771 592 R HA 0.511 4.853 4.340 0.003 0.000 0.274 592 R C -2.769 173.372 176.300 -0.265 0.000 0.987 592 R CA -1.424 54.470 56.100 -0.344 0.000 0.908 592 R CB 2.222 32.239 30.300 -0.472 0.000 1.213 592 R HN 0.420 nan 8.270 nan 0.000 0.468 593 P HA 0.085 nan 4.420 nan 0.000 0.275 593 P C -0.229 177.212 177.300 0.236 0.000 1.227 593 P CA -0.321 62.826 63.100 0.079 0.000 0.781 593 P CB 0.557 32.296 31.700 0.065 0.000 0.906 594 c N 2.627 121.371 118.600 0.240 0.000 2.703 594 c HA 0.038 4.609 4.570 0.003 0.000 0.411 594 c C 1.568 175.769 174.090 0.185 0.000 1.290 594 c CA 0.188 56.662 56.329 0.240 0.000 2.054 594 c CB -1.633 40.967 42.510 0.150 0.000 2.732 594 c HN 0.647 nan 8.230 nan 0.000 0.650 595 H N 0.964 120.066 119.070 0.052 0.000 3.152 595 H HA -0.081 4.476 4.556 0.002 0.000 0.319 595 H C 1.336 176.674 175.328 0.015 0.000 0.994 595 H CA 0.536 56.598 56.048 0.022 0.000 1.370 595 H CB 0.504 30.257 29.762 -0.016 0.000 1.322 595 H HN 0.722 nan 8.280 nan 0.000 0.590 596 E N 2.761 123.134 120.200 0.287 0.000 2.492 596 E HA -0.208 4.144 4.350 0.003 0.000 0.204 596 E C -0.027 176.651 176.600 0.130 0.000 1.073 596 E CA 0.555 57.064 56.400 0.181 0.000 0.887 596 E CB 0.131 29.916 29.700 0.142 0.000 0.813 596 E HN 0.501 nan 8.360 nan 0.000 0.562 597 N N -0.551 118.206 118.700 0.096 0.000 2.517 597 N HA 0.108 4.849 4.740 0.003 0.000 0.285 597 N C -1.100 174.341 175.510 -0.115 0.000 1.528 597 N CA -0.126 52.886 53.050 -0.063 0.000 0.892 597 N CB 0.225 38.606 38.487 -0.176 0.000 1.356 597 N HN -0.018 nan 8.380 nan 0.000 0.495 598 c N -1.612 116.939 118.600 -0.082 0.000 2.656 598 c HA 0.710 5.281 4.570 0.003 0.000 0.404 598 c C 1.622 175.610 174.090 -0.171 0.000 1.423 598 c CA -0.323 55.923 56.329 -0.138 0.000 1.784 598 c CB 1.491 43.905 42.510 -0.160 0.000 2.093 598 c HN 0.380 nan 8.230 nan 0.000 0.492 599 T N -0.959 113.444 114.554 -0.251 0.000 3.431 599 T HA 0.012 4.364 4.350 0.003 0.000 0.207 599 T C 1.004 175.336 174.700 -0.613 0.000 0.979 599 T CA -0.121 61.804 62.100 -0.291 0.000 1.141 599 T CB -0.590 68.191 68.868 -0.144 0.000 1.278 599 T HN 0.559 nan 8.240 nan 0.000 0.334 600 Q N 1.495 121.052 119.800 -0.405 0.000 2.576 600 Q HA 0.345 4.686 4.340 0.003 0.000 0.219 600 Q C 0.929 176.606 176.000 -0.540 0.000 0.976 600 Q CA 0.580 56.167 55.803 -0.360 0.000 0.977 600 Q CB -0.558 28.126 28.738 -0.090 0.000 0.988 600 Q HN 0.711 nan 8.270 nan 0.000 0.555 601 G N -0.806 107.392 108.800 -1.003 0.000 2.472 601 G HA2 -0.203 3.759 3.960 0.003 0.000 0.205 601 G HA3 -0.203 3.759 3.960 0.003 0.000 0.205 601 G C -0.626 174.172 174.900 -0.171 0.000 1.270 601 G CA -0.774 43.938 45.100 -0.648 0.000 0.974 601 G HN 0.717 nan 8.290 nan 0.000 0.542 602 c N -2.735 115.891 118.600 0.043 0.000 3.306 602 c HA 0.910 5.481 4.570 0.003 0.000 0.335 602 c C 0.228 174.370 174.090 0.086 0.000 1.382 602 c CA -0.377 55.974 56.329 0.038 0.000 1.254 602 c CB 1.672 44.190 42.510 0.013 0.000 1.555 602 c HN 1.020 nan 8.230 nan 0.000 0.463 603 K N 0.470 120.875 120.400 0.008 0.000 2.469 603 K HA 0.499 4.820 4.320 0.003 0.000 0.204 603 K C 0.359 176.897 176.600 -0.104 0.000 1.047 603 K CA 0.838 57.132 56.287 0.011 0.000 1.072 603 K CB 1.121 33.622 32.500 0.001 0.000 0.863 603 K HN 1.288 nan 8.250 nan 0.000 0.530 604 G N 0.732 109.330 108.800 -0.337 0.000 2.349 604 G HA2 0.121 4.083 3.960 0.003 0.000 0.294 604 G HA3 0.121 4.083 3.960 0.003 0.000 0.294 604 G C -2.813 171.514 174.900 -0.955 0.000 1.380 604 G CA -0.655 43.962 45.100 -0.805 0.000 0.811 604 G HN -0.316 nan 8.290 nan 0.000 0.519 605 P HA 0.106 nan 4.420 nan 0.000 0.224 605 P C 0.346 177.565 177.300 -0.136 0.000 1.157 605 P CA 0.721 63.573 63.100 -0.414 0.000 0.799 605 P CB 0.352 31.947 31.700 -0.174 0.000 0.809 606 E N 0.086 120.220 120.200 -0.110 0.000 2.392 606 E HA 0.030 4.381 4.350 0.003 0.000 0.264 606 E C 1.138 177.797 176.600 0.097 0.000 1.024 606 E CA -0.294 56.116 56.400 0.018 0.000 0.903 606 E CB 0.038 29.724 29.700 -0.023 0.000 0.963 606 E HN -0.133 nan 8.360 nan 0.000 0.432 607 L N 3.516 124.856 121.223 0.196 0.000 2.129 607 L HA -0.250 4.091 4.340 0.003 0.000 0.212 607 L C 2.015 178.849 176.870 -0.060 0.000 1.087 607 L CA 1.849 56.675 54.840 -0.024 0.000 0.757 607 L CB -0.412 41.543 42.059 -0.174 0.000 0.896 607 L HN 0.598 nan 8.230 nan 0.000 0.434 608 Q N -0.952 118.829 119.800 -0.032 0.000 2.297 608 Q HA -0.088 4.254 4.340 0.003 0.000 0.204 608 Q C -0.328 175.644 176.000 -0.046 0.000 0.962 608 Q CA 0.771 56.550 55.803 -0.040 0.000 0.879 608 Q CB -0.738 27.983 28.738 -0.029 0.000 0.947 608 Q HN 0.516 nan 8.270 nan 0.000 0.462 609 D N 0.701 121.069 120.400 -0.053 0.000 2.339 609 D HA 0.207 4.848 4.640 0.003 0.000 0.256 609 D C -0.091 176.171 176.300 -0.062 0.000 1.214 609 D CA 0.013 53.972 54.000 -0.067 0.000 0.877 609 D CB 1.285 42.014 40.800 -0.119 0.000 1.111 609 D HN 0.196 nan 8.370 nan 0.000 0.478 610 c N 1.072 119.638 118.600 -0.057 0.000 3.521 610 c HA -0.029 4.543 4.570 0.003 0.000 0.110 610 c C 0.194 174.247 174.090 -0.062 0.000 2.840 610 c CA -0.387 55.900 56.329 -0.070 0.000 0.831 610 c CB -0.774 41.681 42.510 -0.092 0.000 1.914 610 c HN 0.479 nan 8.230 nan 0.000 0.592 611 L N 0.000 121.184 121.223 -0.065 0.000 2.949 611 L HA 0.000 4.342 4.340 0.003 0.000 0.249 611 L CA 0.000 54.804 54.840 -0.060 0.000 0.813 611 L CB 0.000 42.031 42.059 -0.047 0.000 0.961 611 L HN 0.000 nan 8.230 nan 0.000 0.502