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 3oky_1_A DATA FIRST_RESID 37 DATA SEQUENCE QYSTFHSENR DWTFNHLTVH RRTGAVYVGA INRVYKLTGN LTIQVAHKTG DATA SEQUENCE PEEDNKAcYP PLIVQPcSEV LTLTNNVNKL LIIDYSENRL LAcGSLYQGV DATA SEQUENCE cKLLRLDDLF ILVEPSHKKE HYLSSVNKTG TMYGVIVRSE GEDGKLFIGT DATA SEQUENCE AVDGKQDYFP TLSSRKLPRD PESSAMLDYE LHSDFVSSLI KIPSDTLALV DATA SEQUENCE SHFDIFYIYG FASGGFVYFL TVQPETPXXX XXXXXXXLFY TSRIVRLcKD DATA SEQUENCE DPKFHSYVSL PFGcTRAGVE YRLLQAAYLA KPGEALAQAF NISSDEDVLF DATA SEQUENCE AIFSKGQKQY HHPPDDSALc AFPIRAINLQ IKERLQScYH GEGNLELNWL DATA SEQUENCE LGKDVQcTKA PVPIDDNFcG LDINQPLGGS TPVEGLTLYT TSRDRLTSVA DATA SEQUENCE SYVYNGYSVV FVGTKSGKLK KIRADGPPHG GVQYEMVSVF KDGSPILRDM DATA SEQUENCE AFSINQLYLY VMSERQVTRV PVEScEQYTT cGEcLSSGDP HcGWcALHNM DATA SEQUENCE cSRRDKcQRA WEANRFAASI SQcMSLEVHP NSISVSDHSR LLSLVVNDAP DATA SEQUENCE NLSEGIAcAF GNLTEVEGQV SGSQVIcISP GPKDVPVIPX XQDWFGLELQ DATA SEQUENCE LRSKETGKIF VSTEFKFYNC S 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 37 Q HA 0.000 nan 4.340 nan 0.000 0.214 37 Q C 0.000 175.909 176.000 -0.152 0.000 1.003 37 Q CA 0.000 55.646 55.803 -0.262 0.000 1.022 37 Q CB 0.000 28.664 28.738 -0.124 0.000 1.108 38 Y N 0.644 120.921 120.300 -0.038 0.000 2.319 38 Y HA 0.273 4.822 4.550 -0.001 0.000 0.328 38 Y C 1.138 177.012 175.900 -0.044 0.000 1.133 38 Y CA -0.705 57.363 58.100 -0.053 0.000 1.265 38 Y CB 0.864 39.269 38.460 -0.091 0.000 1.218 38 Y HN 0.132 nan 8.280 nan 0.000 0.508 39 S N 1.738 117.501 115.700 0.105 0.000 2.558 39 S HA 0.096 4.565 4.470 -0.001 0.000 0.291 39 S C 0.125 174.768 174.600 0.073 0.000 1.306 39 S CA -0.090 58.141 58.200 0.051 0.000 1.056 39 S CB 0.674 63.863 63.200 -0.019 0.000 0.836 39 S HN 0.697 nan 8.310 nan 0.000 0.504 40 T N 1.584 116.193 114.554 0.092 0.000 2.889 40 T HA 0.578 4.928 4.350 -0.001 0.000 0.315 40 T C -2.049 172.737 174.700 0.142 0.000 1.291 40 T CA -0.645 61.505 62.100 0.084 0.000 1.028 40 T CB 0.794 69.669 68.868 0.012 0.000 1.235 40 T HN 0.444 nan 8.240 nan 0.000 0.491 41 F N 4.073 123.979 119.950 -0.072 0.000 2.539 41 F HA 0.593 5.119 4.527 -0.001 0.000 0.318 41 F C -0.564 175.234 175.800 -0.003 0.000 1.135 41 F CA -0.665 57.322 58.000 -0.022 0.000 0.915 41 F CB 1.276 40.225 39.000 -0.084 0.000 1.176 41 F HN 0.635 nan 8.300 nan 0.000 0.440 42 H N 2.705 121.430 119.070 -0.574 0.000 2.483 42 H HA 0.362 4.918 4.556 -0.001 0.000 0.338 42 H C -0.066 174.862 175.328 -0.667 0.000 1.152 42 H CA -0.504 55.296 56.048 -0.413 0.000 1.264 42 H CB 1.840 31.448 29.762 -0.258 0.000 1.510 42 H HN 0.668 nan 8.280 nan 0.000 0.530 43 S N 0.936 116.403 115.700 -0.389 0.000 2.572 43 S HA -0.013 4.456 4.470 -0.001 0.000 0.279 43 S C 0.818 175.292 174.600 -0.211 0.000 1.341 43 S CA -0.617 57.325 58.200 -0.430 0.000 1.043 43 S CB 0.807 63.596 63.200 -0.686 0.000 0.887 43 S HN 0.675 nan 8.310 nan 0.000 0.516 44 E N 0.898 121.086 120.200 -0.020 0.000 2.516 44 E HA 0.029 4.379 4.350 -0.001 0.000 0.199 44 E C 0.207 176.711 176.600 -0.160 0.000 1.069 44 E CA 0.202 56.602 56.400 0.000 0.000 0.876 44 E CB 0.016 29.857 29.700 0.235 0.000 0.843 44 E HN 0.610 nan 8.360 nan 0.000 0.530 45 N N -0.162 118.408 118.700 -0.215 0.000 2.666 45 N HA 0.039 4.779 4.740 -0.001 0.000 0.260 45 N C -0.022 175.314 175.510 -0.289 0.000 1.077 45 N CA -0.375 52.438 53.050 -0.396 0.000 1.026 45 N CB 0.963 38.885 38.487 -0.942 0.000 1.653 45 N HN -0.221 nan 8.380 nan 0.000 0.533 46 R N 1.091 121.438 120.500 -0.255 0.000 2.316 46 R HA -0.075 4.264 4.340 -0.001 0.000 0.232 46 R C -0.224 175.987 176.300 -0.149 0.000 1.137 46 R CA 1.173 57.162 56.100 -0.186 0.000 1.012 46 R CB -0.016 30.192 30.300 -0.154 0.000 0.859 46 R HN 0.566 nan 8.270 nan 0.000 0.474 47 D N -2.250 118.053 120.400 -0.162 0.000 2.479 47 D HA 0.002 4.642 4.640 -0.001 0.000 0.221 47 D C 0.076 176.481 176.300 0.176 0.000 1.104 47 D CA 0.116 54.098 54.000 -0.031 0.000 0.849 47 D CB 0.096 40.877 40.800 -0.032 0.000 1.072 47 D HN 0.081 nan 8.370 nan 0.000 0.502 48 W N 3.814 125.075 121.300 -0.066 0.000 1.518 48 W HA 0.236 4.895 4.660 -0.001 0.000 0.426 48 W C 0.564 177.032 176.519 -0.086 0.000 0.675 48 W CA -1.163 56.163 57.345 -0.031 0.000 1.936 48 W CB -1.404 28.071 29.460 0.025 0.000 1.749 48 W HN -0.235 nan 8.180 nan 0.000 0.247 49 T N -1.818 112.788 114.554 0.087 0.000 2.898 49 T HA 0.338 4.688 4.350 -0.001 0.000 0.301 49 T C 0.020 174.753 174.700 0.056 0.000 1.049 49 T CA -0.452 61.601 62.100 -0.078 0.000 1.095 49 T CB 1.088 69.922 68.868 -0.056 0.000 0.976 49 T HN -0.068 nan 8.240 nan 0.000 0.539 50 F N 1.944 121.939 119.950 0.076 0.000 2.443 50 F HA 0.361 4.888 4.527 -0.001 0.000 0.353 50 F C 1.337 177.140 175.800 0.005 0.000 1.101 50 F CA -1.216 56.833 58.000 0.081 0.000 1.226 50 F CB 0.156 39.200 39.000 0.072 0.000 1.140 50 F HN 0.726 nan 8.300 nan 0.000 0.557 51 N N 0.291 119.105 118.700 0.190 0.000 2.606 51 N HA 0.114 4.854 4.740 -0.001 0.000 0.208 51 N C -0.658 174.649 175.510 -0.338 0.000 1.046 51 N CA -0.205 52.789 53.050 -0.093 0.000 0.891 51 N CB 0.310 38.752 38.487 -0.076 0.000 1.344 51 N HN 0.540 nan 8.380 nan 0.000 0.437 52 H N -0.822 118.327 119.070 0.131 0.000 2.946 52 H HA 0.659 5.215 4.556 -0.001 0.000 0.365 52 H C -1.686 173.682 175.328 0.068 0.000 1.197 52 H CA -0.837 55.271 56.048 0.099 0.000 1.131 52 H CB 2.640 32.445 29.762 0.072 0.000 1.849 52 H HN -0.076 nan 8.280 nan 0.000 0.555 53 L N 0.776 122.127 121.223 0.213 0.000 2.482 53 L HA 0.664 5.003 4.340 -0.001 0.000 0.263 53 L C -1.253 175.690 176.870 0.121 0.000 0.957 53 L CA -0.043 54.860 54.840 0.106 0.000 0.836 53 L CB 2.408 44.500 42.059 0.055 0.000 1.324 53 L HN 0.731 nan 8.230 nan 0.000 0.406 54 T N 3.313 117.924 114.554 0.095 0.000 2.923 54 T HA 0.759 5.108 4.350 -0.001 0.000 0.311 54 T C -1.834 172.937 174.700 0.120 0.000 1.183 54 T CA -0.360 61.811 62.100 0.119 0.000 1.020 54 T CB 1.483 70.409 68.868 0.096 0.000 1.165 54 T HN 0.467 nan 8.240 nan 0.000 0.482 55 V N 5.037 125.033 119.914 0.137 0.000 2.487 55 V HA 0.402 4.522 4.120 -0.001 0.000 0.298 55 V C 0.050 176.295 176.094 0.252 0.000 1.028 55 V CA -0.985 61.390 62.300 0.125 0.000 0.860 55 V CB 1.413 33.275 31.823 0.064 0.000 0.991 55 V HN 0.913 nan 8.190 nan 0.000 0.427 56 H N 5.039 124.235 119.070 0.210 0.000 2.975 56 H HA 0.131 4.686 4.556 -0.001 0.000 0.303 56 H C 1.208 176.709 175.328 0.289 0.000 1.023 56 H CA 0.298 56.520 56.048 0.291 0.000 1.473 56 H CB 0.846 30.766 29.762 0.264 0.000 1.498 56 H HN 0.635 nan 8.280 nan 0.000 0.549 57 R N 3.590 124.264 120.500 0.291 0.000 2.152 57 R HA -0.080 4.260 4.340 -0.001 0.000 0.232 57 R C 1.898 178.353 176.300 0.257 0.000 1.117 57 R CA 1.348 57.565 56.100 0.195 0.000 0.981 57 R CB 0.220 30.507 30.300 -0.022 0.000 0.870 57 R HN 0.542 nan 8.270 nan 0.000 0.451 58 R N -0.236 120.552 120.500 0.479 0.000 2.167 58 R HA 0.059 4.398 4.340 -0.001 0.000 0.201 58 R C 2.025 178.478 176.300 0.254 0.000 1.024 58 R CA 1.419 57.728 56.100 0.348 0.000 1.053 58 R CB 0.134 30.649 30.300 0.360 0.000 0.987 58 R HN 0.332 nan 8.270 nan 0.000 0.493 59 T N -3.255 111.450 114.554 0.253 0.000 3.037 59 T HA 0.180 4.530 4.350 -0.001 0.000 0.252 59 T C 1.536 176.266 174.700 0.050 0.000 1.073 59 T CA 0.683 62.787 62.100 0.007 0.000 1.091 59 T CB 0.729 69.448 68.868 -0.248 0.000 0.935 59 T HN 0.348 nan 8.240 nan 0.000 0.488 60 G N 1.673 110.559 108.800 0.143 0.000 2.179 60 G HA2 -0.087 3.873 3.960 -0.001 0.000 0.260 60 G HA3 -0.087 3.873 3.960 -0.001 0.000 0.260 60 G C 0.355 175.240 174.900 -0.026 0.000 0.977 60 G CA 0.046 45.202 45.100 0.094 0.000 0.641 60 G HN 1.271 nan 8.290 nan 0.000 0.533 61 A N -0.187 122.591 122.820 -0.070 0.000 2.520 61 A HA 0.552 4.872 4.320 -0.001 0.000 0.245 61 A C 0.619 177.958 177.584 -0.407 0.000 1.072 61 A CA 0.674 52.536 52.037 -0.292 0.000 0.761 61 A CB 0.672 19.444 19.000 -0.381 0.000 1.004 61 A HN 1.188 nan 8.150 nan 0.000 0.499 62 V N 3.886 123.467 119.914 -0.554 0.000 2.370 62 V HA 0.308 4.427 4.120 -0.001 0.000 0.279 62 V C -0.858 174.880 176.094 -0.594 0.000 1.029 62 V CA -0.131 61.844 62.300 -0.541 0.000 0.870 62 V CB 0.307 31.746 31.823 -0.641 0.000 0.984 62 V HN 0.709 nan 8.190 nan 0.000 0.451 63 Y N 3.236 123.440 120.300 -0.161 0.000 2.352 63 Y HA 0.644 5.193 4.550 -0.001 0.000 0.339 63 Y C 0.018 175.861 175.900 -0.094 0.000 0.992 63 Y CA -0.880 57.155 58.100 -0.108 0.000 1.100 63 Y CB 1.986 40.398 38.460 -0.078 0.000 1.192 63 Y HN 0.345 nan 8.280 nan 0.000 0.458 64 V N 2.865 122.825 119.914 0.077 0.000 2.444 64 V HA 0.606 4.726 4.120 -0.001 0.000 0.294 64 V C 0.261 176.453 176.094 0.164 0.000 1.022 64 V CA -0.955 61.377 62.300 0.054 0.000 0.850 64 V CB 1.643 33.399 31.823 -0.111 0.000 0.992 64 V HN 0.960 nan 8.190 nan 0.000 0.426 65 G N 3.297 112.195 108.800 0.163 0.000 2.325 65 G HA2 0.700 4.659 3.960 -0.001 0.000 0.298 65 G HA3 0.700 4.659 3.960 -0.001 0.000 0.298 65 G C -0.248 174.798 174.900 0.245 0.000 1.134 65 G CA 0.309 45.516 45.100 0.178 0.000 0.876 65 G HN 1.133 nan 8.290 nan 0.000 0.452 66 A N 2.457 125.424 122.820 0.246 0.000 2.569 66 A HA 0.728 5.048 4.320 -0.001 0.000 0.290 66 A C -0.137 177.532 177.584 0.142 0.000 1.136 66 A CA -0.885 51.343 52.037 0.319 0.000 0.710 66 A CB 0.920 20.314 19.000 0.657 0.000 1.303 66 A HN 0.697 nan 8.150 nan 0.000 0.413 67 I N 2.146 122.789 120.570 0.122 0.000 2.742 67 I HA -0.049 4.120 4.170 -0.001 0.000 0.287 67 I C 0.332 176.332 176.117 -0.195 0.000 1.186 67 I CA 0.565 61.868 61.300 0.005 0.000 1.417 67 I CB -0.198 37.841 38.000 0.064 0.000 1.377 67 I HN 0.719 nan 8.210 nan 0.000 0.556 68 N N 3.900 122.430 118.700 -0.283 0.000 2.900 68 N HA -0.188 4.551 4.740 -0.001 0.000 0.240 68 N C -0.283 174.959 175.510 -0.446 0.000 0.953 68 N CA 1.127 53.883 53.050 -0.489 0.000 0.950 68 N CB -0.586 37.291 38.487 -1.017 0.000 1.102 68 N HN 0.563 nan 8.380 nan 0.000 0.593 69 R N -0.164 120.166 120.500 -0.283 0.000 2.651 69 R HA 0.614 4.954 4.340 -0.001 0.000 0.278 69 R C -0.858 175.292 176.300 -0.250 0.000 1.010 69 R CA -0.596 55.297 56.100 -0.345 0.000 0.896 69 R CB 2.105 32.091 30.300 -0.523 0.000 1.211 69 R HN -0.093 nan 8.270 nan 0.000 0.456 70 V N 3.657 123.411 119.914 -0.267 0.000 2.444 70 V HA 0.463 4.583 4.120 -0.001 0.000 0.294 70 V C -1.070 174.896 176.094 -0.214 0.000 1.022 70 V CA -0.818 61.393 62.300 -0.148 0.000 0.850 70 V CB 1.409 33.192 31.823 -0.067 0.000 0.992 70 V HN 0.544 nan 8.190 nan 0.000 0.426 71 Y N 2.796 123.125 120.300 0.048 0.000 2.387 71 Y HA 0.541 5.090 4.550 -0.001 0.000 0.336 71 Y C 0.303 176.151 175.900 -0.087 0.000 1.067 71 Y CA -0.717 57.364 58.100 -0.033 0.000 1.114 71 Y CB 1.678 40.057 38.460 -0.134 0.000 1.208 71 Y HN 0.457 nan 8.280 nan 0.000 0.458 72 K N 4.740 125.154 120.400 0.023 0.000 2.339 72 K HA 0.623 4.942 4.320 -0.001 0.000 0.264 72 K C -1.664 174.773 176.600 -0.273 0.000 0.986 72 K CA -0.258 55.903 56.287 -0.210 0.000 0.866 72 K CB 0.493 32.913 32.500 -0.133 0.000 1.103 72 K HN 0.737 nan 8.250 nan 0.000 0.441 73 L N 2.168 123.146 121.223 -0.409 0.000 2.303 73 L HA 0.492 4.832 4.340 -0.001 0.000 0.266 73 L C 0.687 177.359 176.870 -0.330 0.000 1.011 73 L CA -1.151 53.460 54.840 -0.382 0.000 0.818 73 L CB 1.881 43.635 42.059 -0.508 0.000 1.326 73 L HN 0.720 nan 8.230 nan 0.000 0.435 74 T N -2.488 111.924 114.554 -0.236 0.000 2.770 74 T HA 0.183 4.532 4.350 -0.001 0.000 0.281 74 T C 1.312 175.913 174.700 -0.165 0.000 0.981 74 T CA -0.055 61.941 62.100 -0.174 0.000 0.955 74 T CB 0.985 69.788 68.868 -0.107 0.000 1.060 74 T HN 0.729 nan 8.240 nan 0.000 0.531 75 G N 1.137 109.879 108.800 -0.098 0.000 2.469 75 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.220 75 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.220 75 G C 1.137 176.033 174.900 -0.006 0.000 1.136 75 G CA 0.945 46.029 45.100 -0.026 0.000 0.759 75 G HN 0.916 nan 8.290 nan 0.000 0.562 76 N N -0.157 118.510 118.700 -0.055 0.000 2.251 76 N HA 0.244 4.984 4.740 -0.001 0.000 0.217 76 N C 0.602 176.094 175.510 -0.030 0.000 1.124 76 N CA -0.448 52.565 53.050 -0.061 0.000 0.843 76 N CB -0.178 38.268 38.487 -0.068 0.000 1.024 76 N HN 0.324 nan 8.380 nan 0.000 0.501 77 L N -1.333 119.853 121.223 -0.063 0.000 3.754 77 L HA -0.174 4.165 4.340 -0.001 0.000 0.410 77 L C -1.060 175.753 176.870 -0.095 0.000 1.230 77 L CA 0.350 55.126 54.840 -0.106 0.000 0.901 77 L CB -2.751 39.312 42.059 0.008 0.000 1.982 77 L HN 0.180 nan 8.230 nan 0.000 0.822 78 T N 1.244 115.736 114.554 -0.103 0.000 2.767 78 T HA 0.566 4.915 4.350 -0.001 0.000 0.288 78 T C 0.690 175.311 174.700 -0.131 0.000 0.963 78 T CA -0.454 61.608 62.100 -0.063 0.000 1.019 78 T CB 1.608 70.459 68.868 -0.027 0.000 0.923 78 T HN 0.144 nan 8.240 nan 0.000 0.468 79 I N 3.915 124.420 120.570 -0.107 0.000 2.668 79 I HA -0.006 4.164 4.170 -0.001 0.000 0.285 79 I C 1.747 177.836 176.117 -0.046 0.000 1.168 79 I CA 0.258 61.490 61.300 -0.113 0.000 1.424 79 I CB 0.598 38.614 38.000 0.027 0.000 1.377 79 I HN 0.811 nan 8.210 nan 0.000 0.560 80 Q N 5.582 125.345 119.800 -0.061 0.000 2.353 80 Q HA 0.308 4.648 4.340 -0.001 0.000 0.240 80 Q C 0.092 176.099 176.000 0.011 0.000 0.868 80 Q CA 0.139 55.927 55.803 -0.024 0.000 0.944 80 Q CB 1.359 30.070 28.738 -0.045 0.000 1.104 80 Q HN 0.489 nan 8.270 nan 0.000 0.531 81 V N 0.092 120.017 119.914 0.018 0.000 3.023 81 V HA 0.727 4.847 4.120 -0.001 0.000 0.294 81 V C -2.120 174.013 176.094 0.064 0.000 1.324 81 V CA -0.214 62.111 62.300 0.042 0.000 0.979 81 V CB 2.097 33.942 31.823 0.038 0.000 1.093 81 V HN 0.282 nan 8.190 nan 0.000 0.434 82 A N 4.748 127.597 122.820 0.049 0.000 2.332 82 A HA 0.704 5.023 4.320 -0.001 0.000 0.300 82 A C -0.982 176.549 177.584 -0.089 0.000 1.153 82 A CA -0.496 51.534 52.037 -0.012 0.000 0.764 82 A CB 0.856 19.906 19.000 0.083 0.000 1.174 82 A HN 1.120 nan 8.150 nan 0.000 0.467 83 H N 2.739 121.676 119.070 -0.221 0.000 2.562 83 H HA 0.309 4.865 4.556 -0.001 0.000 0.314 83 H C -0.559 174.618 175.328 -0.251 0.000 1.079 83 H CA 0.116 56.028 56.048 -0.227 0.000 1.349 83 H CB 0.861 30.502 29.762 -0.202 0.000 1.432 83 H HN 0.676 nan 8.280 nan 0.000 0.479 84 K N 2.875 122.959 120.400 -0.526 0.000 2.258 84 K HA 0.078 4.398 4.320 -0.001 0.000 0.284 84 K C 0.676 177.074 176.600 -0.337 0.000 1.051 84 K CA -0.127 55.926 56.287 -0.389 0.000 0.923 84 K CB 0.724 33.027 32.500 -0.328 0.000 1.046 84 K HN 0.770 nan 8.250 nan 0.000 0.474 85 T N -0.332 114.094 114.554 -0.214 0.000 3.003 85 T HA 0.355 4.704 4.350 -0.001 0.000 0.261 85 T C 0.542 175.162 174.700 -0.132 0.000 1.003 85 T CA 0.049 62.090 62.100 -0.098 0.000 0.917 85 T CB 0.633 69.476 68.868 -0.040 0.000 1.084 85 T HN 0.608 nan 8.240 nan 0.000 0.522 86 G N 1.621 110.291 108.800 -0.218 0.000 2.428 86 G HA2 0.562 4.521 3.960 -0.001 0.000 0.304 86 G HA3 0.562 4.521 3.960 -0.001 0.000 0.304 86 G C -3.378 171.362 174.900 -0.268 0.000 1.303 86 G CA -0.959 44.021 45.100 -0.199 0.000 0.825 86 G HN 0.042 nan 8.290 nan 0.000 0.484 87 P HA 0.406 nan 4.420 nan 0.000 0.274 87 P C -0.824 176.441 177.300 -0.058 0.000 1.246 87 P CA 0.141 63.188 63.100 -0.090 0.000 0.795 87 P CB 1.526 33.224 31.700 -0.004 0.000 1.006 88 E N -0.575 119.592 120.200 -0.056 0.000 2.413 88 E HA 0.219 4.569 4.350 -0.001 0.000 0.277 88 E C -0.812 175.777 176.600 -0.018 0.000 0.958 88 E CA -0.793 55.599 56.400 -0.014 0.000 0.779 88 E CB 1.642 31.361 29.700 0.031 0.000 1.278 88 E HN 0.413 nan 8.360 nan 0.000 0.456 89 E N 1.516 121.735 120.200 0.031 0.000 2.344 89 E HA 0.199 4.549 4.350 -0.001 0.000 0.270 89 E C -0.787 175.839 176.600 0.044 0.000 1.021 89 E CA 0.447 56.867 56.400 0.033 0.000 0.887 89 E CB 0.786 30.515 29.700 0.047 0.000 0.997 89 E HN 0.316 nan 8.360 nan 0.000 0.429 90 D N 1.211 121.617 120.400 0.010 0.000 2.692 90 D HA 0.307 4.947 4.640 -0.001 0.000 0.290 90 D C -1.714 174.595 176.300 0.016 0.000 1.281 90 D CA -0.571 53.430 54.000 0.002 0.000 0.804 90 D CB 1.424 42.128 40.800 -0.160 0.000 1.331 90 D HN 0.289 nan 8.370 nan 0.000 0.432 91 N N 0.670 119.390 118.700 0.033 0.000 2.431 91 N HA 0.165 4.905 4.740 -0.001 0.000 0.275 91 N C -0.303 175.248 175.510 0.067 0.000 1.091 91 N CA -0.351 52.726 53.050 0.045 0.000 0.922 91 N CB 1.813 40.332 38.487 0.054 0.000 1.666 91 N HN 0.386 nan 8.380 nan 0.000 0.484 92 K N 1.140 121.587 120.400 0.079 0.000 2.360 92 K HA -0.007 4.313 4.320 -0.001 0.000 0.201 92 K C 1.352 178.047 176.600 0.158 0.000 1.046 92 K CA 1.215 57.577 56.287 0.126 0.000 0.945 92 K CB 0.134 32.716 32.500 0.137 0.000 0.750 92 K HN 0.545 nan 8.250 nan 0.000 0.464 93 A N 0.705 123.600 122.820 0.126 0.000 2.119 93 A HA -0.040 4.280 4.320 -0.001 0.000 0.216 93 A C 0.884 178.550 177.584 0.135 0.000 1.152 93 A CA 0.264 52.380 52.037 0.132 0.000 0.708 93 A CB -0.187 18.870 19.000 0.097 0.000 0.805 93 A HN 0.293 nan 8.150 nan 0.000 0.460 94 c N 0.494 119.162 118.600 0.113 0.000 2.492 94 c HA 0.445 5.015 4.570 -0.001 0.000 0.362 94 c C -0.338 173.802 174.090 0.084 0.000 1.207 94 c CA -0.209 56.171 56.329 0.085 0.000 1.626 94 c CB -2.465 40.083 42.510 0.063 0.000 2.239 94 c HN 0.448 nan 8.230 nan 0.000 0.547 95 Y N 4.282 124.542 120.300 -0.067 0.000 2.354 95 Y HA 0.502 5.052 4.550 -0.001 0.000 0.330 95 Y C -2.298 173.526 175.900 -0.126 0.000 1.011 95 Y CA -2.008 55.986 58.100 -0.177 0.000 1.099 95 Y CB 1.006 39.296 38.460 -0.283 0.000 1.179 95 Y HN 0.558 nan 8.280 nan 0.000 0.442 96 P HA 0.222 nan 4.420 nan 0.000 0.271 96 P C -2.700 174.348 177.300 -0.421 0.000 1.233 96 P CA -0.906 61.746 63.100 -0.747 0.000 0.789 96 P CB 0.048 31.498 31.700 -0.417 0.000 0.951 97 P HA 0.045 nan 4.420 nan 0.000 0.271 97 P C 0.872 178.088 177.300 -0.140 0.000 1.233 97 P CA 0.019 62.990 63.100 -0.216 0.000 0.789 97 P CB 0.291 31.857 31.700 -0.223 0.000 0.951 98 L N 1.070 122.266 121.223 -0.045 0.000 2.127 98 L HA -0.168 4.171 4.340 -0.001 0.000 0.211 98 L C 2.105 178.876 176.870 -0.165 0.000 1.089 98 L CA 1.508 56.311 54.840 -0.063 0.000 0.757 98 L CB -1.057 41.021 42.059 0.031 0.000 0.899 98 L HN 0.423 nan 8.230 nan 0.000 0.434 99 I N -3.356 117.008 120.570 -0.343 0.000 3.083 99 I HA -0.104 4.066 4.170 -0.001 0.000 0.273 99 I C 1.774 177.798 176.117 -0.154 0.000 1.297 99 I CA 0.582 61.681 61.300 -0.336 0.000 1.452 99 I CB -0.314 37.348 38.000 -0.564 0.000 1.078 99 I HN -0.002 nan 8.210 nan 0.000 0.484 100 V N 0.150 119.994 119.914 -0.117 0.000 2.911 100 V HA 0.205 4.325 4.120 -0.001 0.000 0.237 100 V C 0.739 176.806 176.094 -0.044 0.000 1.156 100 V CA 0.484 62.765 62.300 -0.031 0.000 1.180 100 V CB -0.116 31.701 31.823 -0.009 0.000 0.932 100 V HN 0.442 nan 8.190 nan 0.000 0.483 101 Q N -0.458 119.303 119.800 -0.065 0.000 2.456 101 Q HA 0.449 4.789 4.340 -0.001 0.000 0.284 101 Q C -2.915 173.060 176.000 -0.041 0.000 1.061 101 Q CA -1.984 53.790 55.803 -0.050 0.000 0.799 101 Q CB 2.229 30.937 28.738 -0.050 0.000 1.445 101 Q HN 0.100 nan 8.270 nan 0.000 0.411 102 P HA 0.026 nan 4.420 nan 0.000 0.267 102 P C -1.095 176.201 177.300 -0.006 0.000 1.200 102 P CA -0.142 62.949 63.100 -0.015 0.000 0.772 102 P CB 0.488 32.182 31.700 -0.010 0.000 0.855 103 c N 1.845 120.447 118.600 0.005 0.000 2.609 103 c HA 0.373 4.943 4.570 -0.001 0.000 0.313 103 c C 1.517 175.620 174.090 0.022 0.000 1.175 103 c CA -0.067 56.272 56.329 0.017 0.000 1.434 103 c CB 0.868 43.393 42.510 0.025 0.000 2.005 103 c HN 0.616 nan 8.230 nan 0.000 0.471 104 S N 1.912 117.627 115.700 0.025 0.000 2.503 104 S HA 0.067 4.537 4.470 -0.001 0.000 0.217 104 S C 0.538 175.155 174.600 0.028 0.000 0.999 104 S CA 0.137 58.352 58.200 0.024 0.000 0.914 104 S CB -0.086 63.127 63.200 0.023 0.000 0.782 104 S HN 0.809 nan 8.310 nan 0.000 0.520 105 E N 1.603 121.824 120.200 0.035 0.000 2.418 105 E HA 0.050 4.399 4.350 -0.001 0.000 0.261 105 E C -0.029 176.591 176.600 0.035 0.000 1.070 105 E CA -0.029 56.394 56.400 0.038 0.000 0.931 105 E CB 0.651 30.380 29.700 0.047 0.000 0.954 105 E HN 0.052 nan 8.360 nan 0.000 0.439 106 V N 3.864 123.798 119.914 0.033 0.000 2.529 106 V HA 0.041 4.160 4.120 -0.001 0.000 0.292 106 V C -0.023 176.090 176.094 0.033 0.000 1.028 106 V CA 0.082 62.400 62.300 0.030 0.000 1.074 106 V CB -0.115 31.725 31.823 0.027 0.000 0.958 106 V HN 0.369 nan 8.190 nan 0.000 0.481 107 L N 6.223 127.465 121.223 0.032 0.000 2.360 107 L HA 0.620 4.959 4.340 -0.001 0.000 0.271 107 L C 0.144 177.030 176.870 0.027 0.000 1.057 107 L CA -0.438 54.422 54.840 0.033 0.000 0.803 107 L CB 1.866 43.948 42.059 0.039 0.000 1.207 107 L HN 0.549 nan 8.230 nan 0.000 0.445 108 T N 2.132 116.699 114.554 0.022 0.000 2.893 108 T HA 0.340 4.689 4.350 -0.001 0.000 0.293 108 T C -0.556 174.151 174.700 0.011 0.000 1.027 108 T CA -0.562 61.549 62.100 0.018 0.000 0.988 108 T CB 1.974 70.853 68.868 0.017 0.000 1.043 108 T HN 0.252 nan 8.240 nan 0.000 0.461 109 L N 3.721 124.953 121.223 0.015 0.000 2.584 109 L HA 0.288 4.627 4.340 -0.001 0.000 0.272 109 L C -0.052 176.820 176.870 0.004 0.000 1.195 109 L CA 1.145 55.992 54.840 0.013 0.000 0.920 109 L CB -0.240 41.835 42.059 0.026 0.000 1.173 109 L HN 0.691 nan 8.230 nan 0.000 0.489 110 T N 4.644 119.184 114.554 -0.022 0.000 2.848 110 T HA 0.402 4.751 4.350 -0.001 0.000 0.285 110 T C -0.285 174.382 174.700 -0.055 0.000 0.995 110 T CA -0.825 61.252 62.100 -0.039 0.000 0.970 110 T CB 0.974 69.797 68.868 -0.074 0.000 0.976 110 T HN 0.460 nan 8.240 nan 0.000 0.441 111 N N 2.924 121.606 118.700 -0.029 0.000 2.518 111 N HA 0.138 4.878 4.740 -0.001 0.000 0.266 111 N C -0.208 175.255 175.510 -0.079 0.000 1.196 111 N CA -0.215 52.808 53.050 -0.044 0.000 0.947 111 N CB 0.451 38.948 38.487 0.016 0.000 1.098 111 N HN 0.475 nan 8.380 nan 0.000 0.450 112 N N 1.629 120.261 118.700 -0.113 0.000 2.589 112 N HA 0.142 4.881 4.740 -0.001 0.000 0.232 112 N C -1.196 174.276 175.510 -0.063 0.000 1.015 112 N CA -0.352 52.635 53.050 -0.105 0.000 0.931 112 N CB 0.394 38.807 38.487 -0.124 0.000 1.150 112 N HN 0.123 nan 8.380 nan 0.000 0.512 113 V N 3.892 123.789 119.914 -0.027 0.000 2.521 113 V HA 0.050 4.170 4.120 -0.001 0.000 0.286 113 V C 1.012 177.126 176.094 0.034 0.000 1.034 113 V CA -0.585 61.723 62.300 0.013 0.000 1.045 113 V CB 0.334 32.174 31.823 0.029 0.000 0.974 113 V HN 0.630 nan 8.190 nan 0.000 0.480 114 N N 4.841 123.581 118.700 0.065 0.000 2.452 114 N HA 0.124 4.864 4.740 -0.001 0.000 0.266 114 N C 0.546 176.172 175.510 0.194 0.000 1.175 114 N CA -0.065 53.048 53.050 0.105 0.000 0.945 114 N CB 0.727 39.294 38.487 0.134 0.000 1.063 114 N HN 0.637 nan 8.380 nan 0.000 0.472 115 K N 2.429 122.912 120.400 0.138 0.000 2.370 115 K HA 0.207 4.526 4.320 -0.001 0.000 0.194 115 K C -0.395 176.223 176.600 0.030 0.000 1.070 115 K CA 0.043 56.435 56.287 0.175 0.000 0.998 115 K CB 0.589 33.146 32.500 0.094 0.000 0.911 115 K HN 0.424 nan 8.250 nan 0.000 0.533 116 L N 1.029 122.193 121.223 -0.099 0.000 2.493 116 L HA 0.447 4.787 4.340 -0.001 0.000 0.265 116 L C -2.140 174.584 176.870 -0.243 0.000 0.954 116 L CA -0.826 53.848 54.840 -0.276 0.000 0.844 116 L CB 1.998 43.950 42.059 -0.178 0.000 1.302 116 L HN -0.148 nan 8.230 nan 0.000 0.405 117 L N 6.186 127.210 121.223 -0.332 0.000 2.518 117 L HA 0.687 5.027 4.340 -0.001 0.000 0.262 117 L C -1.615 175.128 176.870 -0.212 0.000 0.982 117 L CA 0.127 54.843 54.840 -0.206 0.000 0.873 117 L CB 1.298 43.300 42.059 -0.095 0.000 1.198 117 L HN 0.480 nan 8.230 nan 0.000 0.427 118 I N 5.021 125.468 120.570 -0.205 0.000 2.582 118 I HA 0.435 4.605 4.170 -0.001 0.000 0.292 118 I C -0.433 175.545 176.117 -0.231 0.000 1.066 118 I CA -0.653 60.536 61.300 -0.185 0.000 1.053 118 I CB 2.323 40.232 38.000 -0.152 0.000 1.241 118 I HN 0.372 nan 8.210 nan 0.000 0.421 119 I N 4.362 124.764 120.570 -0.280 0.000 2.396 119 I HA 0.068 4.238 4.170 -0.001 0.000 0.289 119 I C -0.022 175.865 176.117 -0.383 0.000 1.056 119 I CA 0.142 61.164 61.300 -0.464 0.000 1.365 119 I CB 0.499 38.017 38.000 -0.802 0.000 1.407 119 I HN 0.526 nan 8.210 nan 0.000 0.509 120 D N 6.452 126.678 120.400 -0.290 0.000 2.522 120 D HA 0.091 4.731 4.640 -0.001 0.000 0.218 120 D C 0.758 176.996 176.300 -0.104 0.000 1.149 120 D CA -0.097 53.819 54.000 -0.140 0.000 0.981 120 D CB 0.276 41.017 40.800 -0.099 0.000 1.041 120 D HN 0.334 nan 8.370 nan 0.000 0.518 121 Y N 1.284 121.559 120.300 -0.042 0.000 2.053 121 Y HA -0.312 4.238 4.550 -0.001 0.000 0.277 121 Y C 2.757 178.664 175.900 0.012 0.000 1.159 121 Y CA 1.860 59.943 58.100 -0.029 0.000 1.125 121 Y CB -0.313 38.108 38.460 -0.064 0.000 0.969 121 Y HN 0.419 nan 8.280 nan 0.000 0.492 122 S N -0.456 115.346 115.700 0.169 0.000 2.442 122 S HA -0.149 4.320 4.470 -0.001 0.000 0.236 122 S C 1.197 175.837 174.600 0.067 0.000 1.007 122 S CA 1.483 59.745 58.200 0.104 0.000 0.965 122 S CB -0.192 63.052 63.200 0.073 0.000 0.773 122 S HN 0.406 nan 8.310 nan 0.000 0.504 123 E N 1.140 121.366 120.200 0.043 0.000 2.501 123 E HA 0.229 4.578 4.350 -0.001 0.000 0.201 123 E C -0.308 176.294 176.600 0.004 0.000 1.016 123 E CA -0.162 56.247 56.400 0.014 0.000 0.920 123 E CB -0.719 28.976 29.700 -0.008 0.000 1.023 123 E HN 0.726 nan 8.360 nan 0.000 0.474 124 N N 1.496 120.210 118.700 0.022 0.000 2.727 124 N HA -0.222 4.517 4.740 -0.001 0.000 0.249 124 N C -0.599 174.885 175.510 -0.043 0.000 1.048 124 N CA 0.653 53.713 53.050 0.016 0.000 0.714 124 N CB -0.764 37.739 38.487 0.027 0.000 0.959 124 N HN 0.176 nan 8.380 nan 0.000 0.544 125 R N -0.220 120.224 120.500 -0.094 0.000 2.854 125 R HA 0.725 5.065 4.340 -0.001 0.000 0.271 125 R C -1.123 175.041 176.300 -0.227 0.000 0.994 125 R CA -1.077 54.941 56.100 -0.136 0.000 0.945 125 R CB 1.594 31.828 30.300 -0.109 0.000 1.194 125 R HN 0.026 nan 8.270 nan 0.000 0.476 126 L N 1.954 123.021 121.223 -0.259 0.000 2.333 126 L HA 0.430 4.769 4.340 -0.001 0.000 0.280 126 L C -1.482 175.240 176.870 -0.246 0.000 1.004 126 L CA -0.837 53.805 54.840 -0.331 0.000 0.820 126 L CB 1.693 43.475 42.059 -0.462 0.000 1.247 126 L HN 0.510 nan 8.230 nan 0.000 0.416 127 L N 5.571 126.662 121.223 -0.219 0.000 2.265 127 L HA 0.815 5.155 4.340 -0.001 0.000 0.288 127 L C -0.463 176.302 176.870 -0.176 0.000 1.058 127 L CA 0.106 54.840 54.840 -0.176 0.000 0.809 127 L CB 1.000 42.971 42.059 -0.146 0.000 1.179 127 L HN 0.779 nan 8.230 nan 0.000 0.429 128 A N 5.040 127.764 122.820 -0.161 0.000 2.332 128 A HA 0.677 4.996 4.320 -0.001 0.000 0.300 128 A C -0.967 176.556 177.584 -0.101 0.000 1.153 128 A CA -0.509 51.446 52.037 -0.137 0.000 0.764 128 A CB 0.640 19.547 19.000 -0.155 0.000 1.174 128 A HN 0.734 nan 8.150 nan 0.000 0.467 129 c N 1.952 120.505 118.600 -0.079 0.000 2.417 129 c HA 0.891 5.461 4.570 -0.001 0.000 0.324 129 c C 1.136 175.213 174.090 -0.022 0.000 1.240 129 c CA -0.228 56.072 56.329 -0.049 0.000 1.632 129 c CB 0.978 43.458 42.510 -0.051 0.000 2.241 129 c HN 1.078 nan 8.230 nan 0.000 0.499 130 G N 0.983 109.776 108.800 -0.012 0.000 2.887 130 G HA2 0.531 4.490 3.960 -0.001 0.000 0.277 130 G HA3 0.531 4.490 3.960 -0.001 0.000 0.277 130 G C 0.653 175.544 174.900 -0.016 0.000 1.346 130 G CA 0.207 45.302 45.100 -0.009 0.000 1.058 130 G HN 0.805 nan 8.290 nan 0.000 0.535 131 S N -1.387 114.294 115.700 -0.031 0.000 2.517 131 S HA 0.257 4.727 4.470 -0.001 0.000 0.214 131 S C 0.988 175.539 174.600 -0.081 0.000 0.991 131 S CA -0.340 57.835 58.200 -0.041 0.000 0.906 131 S CB -0.280 62.906 63.200 -0.024 0.000 0.789 131 S HN 0.295 nan 8.310 nan 0.000 0.513 132 L N 1.488 122.624 121.223 -0.144 0.000 2.464 132 L HA 0.198 4.538 4.340 -0.001 0.000 0.264 132 L C 0.034 176.770 176.870 -0.223 0.000 1.199 132 L CA -0.654 53.980 54.840 -0.342 0.000 0.818 132 L CB -0.287 41.419 42.059 -0.589 0.000 1.102 132 L HN 0.303 nan 8.230 nan 0.000 0.473 133 Y N 2.336 122.621 120.300 -0.025 0.000 3.108 133 Y HA -0.273 4.277 4.550 -0.001 0.000 0.208 133 Y C 0.944 176.798 175.900 -0.078 0.000 1.245 133 Y CA 0.566 58.624 58.100 -0.069 0.000 1.171 133 Y CB -2.321 36.094 38.460 -0.075 0.000 1.331 133 Y HN 0.692 nan 8.280 nan 0.000 0.534 134 Q N -2.445 117.402 119.800 0.077 0.000 2.452 134 Q HA -0.247 4.093 4.340 -0.001 0.000 0.248 134 Q C 1.078 177.134 176.000 0.093 0.000 0.874 134 Q CA 2.036 57.929 55.803 0.150 0.000 1.208 134 Q CB -1.817 27.045 28.738 0.206 0.000 1.569 134 Q HN 1.899 nan 8.270 nan 0.000 0.579 135 G N -0.581 108.250 108.800 0.053 0.000 2.303 135 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.260 135 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.260 135 G C 0.283 175.239 174.900 0.093 0.000 1.106 135 G CA 0.407 45.521 45.100 0.023 0.000 0.900 135 G HN 0.974 nan 8.290 nan 0.000 0.495 136 V N -2.824 117.180 119.914 0.151 0.000 3.237 136 V HA 0.658 4.777 4.120 -0.001 0.000 0.305 136 V C 1.200 177.322 176.094 0.047 0.000 1.096 136 V CA -0.323 62.061 62.300 0.140 0.000 1.130 136 V CB 0.990 32.906 31.823 0.155 0.000 1.048 136 V HN 0.677 nan 8.190 nan 0.000 0.484 137 c N 2.398 120.994 118.600 -0.006 0.000 2.470 137 c HA 0.687 5.257 4.570 -0.001 0.000 0.341 137 c C 0.193 174.237 174.090 -0.077 0.000 1.190 137 c CA -0.767 55.531 56.329 -0.052 0.000 1.904 137 c CB 1.297 43.758 42.510 -0.080 0.000 2.354 137 c HN 0.999 nan 8.230 nan 0.000 0.509 138 K N 1.366 121.709 120.400 -0.095 0.000 2.259 138 K HA 0.676 4.996 4.320 -0.001 0.000 0.252 138 K C -1.424 175.089 176.600 -0.145 0.000 0.936 138 K CA -0.360 55.855 56.287 -0.119 0.000 0.810 138 K CB 1.571 33.989 32.500 -0.136 0.000 1.143 138 K HN 0.490 nan 8.250 nan 0.000 0.427 139 L N 4.299 125.438 121.223 -0.139 0.000 2.282 139 L HA 0.462 4.802 4.340 -0.001 0.000 0.288 139 L C -0.723 176.061 176.870 -0.143 0.000 1.033 139 L CA -0.742 54.014 54.840 -0.141 0.000 0.807 139 L CB 0.650 42.638 42.059 -0.119 0.000 1.209 139 L HN 0.375 nan 8.230 nan 0.000 0.423 140 L N 3.597 124.716 121.223 -0.173 0.000 2.346 140 L HA 0.542 4.881 4.340 -0.001 0.000 0.274 140 L C 0.076 176.874 176.870 -0.119 0.000 1.007 140 L CA -0.903 53.837 54.840 -0.167 0.000 0.818 140 L CB 2.053 43.952 42.059 -0.266 0.000 1.284 140 L HN 0.546 nan 8.230 nan 0.000 0.424 141 R N 1.352 121.826 120.500 -0.043 0.000 2.570 141 R HA 0.081 4.421 4.340 -0.001 0.000 0.277 141 R C 1.026 177.314 176.300 -0.020 0.000 1.039 141 R CA -0.043 56.050 56.100 -0.011 0.000 1.065 141 R CB 0.566 30.899 30.300 0.056 0.000 0.964 141 R HN 0.595 nan 8.270 nan 0.000 0.428 142 L N 2.155 123.360 121.223 -0.029 0.000 2.141 142 L HA -0.201 4.139 4.340 -0.001 0.000 0.209 142 L C 1.756 178.714 176.870 0.145 0.000 1.094 142 L CA 1.160 56.006 54.840 0.010 0.000 0.763 142 L CB -0.376 41.684 42.059 0.001 0.000 0.908 142 L HN 0.766 nan 8.230 nan 0.000 0.437 143 D N -0.246 120.204 120.400 0.083 0.000 2.091 143 D HA -0.202 4.438 4.640 -0.001 0.000 0.199 143 D C 1.185 177.546 176.300 0.102 0.000 0.980 143 D CA 1.526 55.572 54.000 0.075 0.000 0.831 143 D CB -0.436 40.389 40.800 0.042 0.000 0.987 143 D HN 0.463 nan 8.370 nan 0.000 0.460 144 D N -0.568 119.915 120.400 0.138 0.000 2.513 144 D HA 0.077 4.717 4.640 -0.001 0.000 0.222 144 D C 1.090 177.494 176.300 0.175 0.000 1.210 144 D CA -0.491 53.626 54.000 0.196 0.000 0.825 144 D CB -0.424 40.565 40.800 0.316 0.000 1.037 144 D HN 0.255 nan 8.370 nan 0.000 0.506 145 L N -0.530 120.759 121.223 0.110 0.000 4.367 145 L HA -0.262 4.078 4.340 -0.001 0.000 0.424 145 L C -0.399 176.454 176.870 -0.028 0.000 1.152 145 L CA 0.264 55.106 54.840 0.004 0.000 0.974 145 L CB -1.930 40.125 42.059 -0.007 0.000 2.012 145 L HN 0.077 nan 8.230 nan 0.000 0.922 146 F N 0.543 120.505 119.950 0.020 0.000 2.459 146 F HA 0.258 4.785 4.527 -0.001 0.000 0.346 146 F C 1.241 177.030 175.800 -0.018 0.000 1.128 146 F CA -0.124 57.896 58.000 0.034 0.000 1.268 146 F CB 0.561 39.575 39.000 0.023 0.000 1.161 146 F HN -0.149 nan 8.300 nan 0.000 0.583 147 I N 4.921 125.596 120.570 0.175 0.000 2.618 147 I HA -0.076 4.093 4.170 -0.001 0.000 0.284 147 I C 0.819 176.971 176.117 0.058 0.000 1.146 147 I CA 0.334 61.670 61.300 0.060 0.000 1.425 147 I CB 0.611 38.653 38.000 0.071 0.000 1.383 147 I HN 0.676 nan 8.210 nan 0.000 0.562 148 L N 6.414 127.633 121.223 -0.006 0.000 2.269 148 L HA 0.299 4.639 4.340 -0.001 0.000 0.200 148 L C 0.337 177.184 176.870 -0.038 0.000 1.069 148 L CA 0.546 55.375 54.840 -0.018 0.000 0.804 148 L CB 0.409 42.444 42.059 -0.040 0.000 0.987 148 L HN 0.480 nan 8.230 nan 0.000 0.468 149 V N -0.766 119.110 119.914 -0.064 0.000 3.177 149 V HA 0.301 4.420 4.120 -0.001 0.000 0.287 149 V C -1.860 174.166 176.094 -0.113 0.000 1.465 149 V CA -0.572 61.675 62.300 -0.089 0.000 1.020 149 V CB 2.323 34.082 31.823 -0.106 0.000 1.152 149 V HN 0.246 nan 8.190 nan 0.000 0.448 150 E N 4.681 124.800 120.200 -0.135 0.000 2.914 150 E HA 0.477 4.827 4.350 -0.001 0.000 0.246 150 E C -2.740 173.733 176.600 -0.212 0.000 1.146 150 E CA -1.735 54.580 56.400 -0.142 0.000 0.803 150 E CB 1.621 31.266 29.700 -0.091 0.000 1.409 150 E HN 0.556 nan 8.360 nan 0.000 0.392 151 P HA -0.037 nan 4.420 nan 0.000 0.261 151 P C -0.141 176.990 177.300 -0.283 0.000 1.183 151 P CA 0.498 63.307 63.100 -0.485 0.000 0.761 151 P CB 0.760 31.977 31.700 -0.805 0.000 0.785 152 S N 0.116 115.703 115.700 -0.188 0.000 2.874 152 S HA 0.093 4.563 4.470 -0.001 0.000 0.257 152 S C 0.678 175.414 174.600 0.226 0.000 0.975 152 S CA -0.247 58.010 58.200 0.095 0.000 1.326 152 S CB -0.782 62.423 63.200 0.007 0.000 1.215 152 S HN 0.485 nan 8.310 nan 0.000 0.679 153 H N 1.098 120.306 119.070 0.229 0.000 2.553 153 H HA 0.393 4.949 4.556 -0.001 0.000 0.265 153 H C 0.133 175.373 175.328 -0.147 0.000 0.964 153 H CA -0.022 56.057 56.048 0.051 0.000 1.156 153 H CB 0.453 30.238 29.762 0.039 0.000 1.411 153 H HN 0.246 nan 8.280 nan 0.000 0.558 154 K N 0.346 120.512 120.400 -0.391 0.000 2.340 154 K HA 0.261 4.580 4.320 -0.001 0.000 0.244 154 K C 0.272 176.284 176.600 -0.981 0.000 0.973 154 K CA -0.709 55.143 56.287 -0.725 0.000 0.828 154 K CB 2.332 34.242 32.500 -0.984 0.000 1.226 154 K HN -0.054 nan 8.250 nan 0.000 0.437 155 K N 1.269 121.268 120.400 -0.669 0.000 2.209 155 K HA -0.157 4.162 4.320 -0.001 0.000 0.204 155 K C 1.466 177.702 176.600 -0.608 0.000 1.048 155 K CA 1.369 57.311 56.287 -0.576 0.000 0.940 155 K CB 0.225 32.648 32.500 -0.128 0.000 0.729 155 K HN 0.580 nan 8.250 nan 0.000 0.451 156 E N 0.441 120.233 120.200 -0.679 0.000 2.502 156 E HA -0.140 4.209 4.350 -0.001 0.000 0.194 156 E C 0.745 177.075 176.600 -0.449 0.000 1.062 156 E CA 0.859 56.887 56.400 -0.620 0.000 0.867 156 E CB -0.295 28.569 29.700 -1.393 0.000 0.888 156 E HN 0.572 nan 8.360 nan 0.000 0.510 157 H N -0.311 118.388 119.070 -0.619 0.000 2.547 157 H HA 0.009 4.565 4.556 -0.001 0.000 0.272 157 H C -0.265 174.938 175.328 -0.209 0.000 0.989 157 H CA 0.075 55.862 56.048 -0.436 0.000 1.214 157 H CB 0.056 29.560 29.762 -0.430 0.000 1.389 157 H HN 0.117 nan 8.280 nan 0.000 0.577 158 Y N 0.647 121.022 120.300 0.125 0.000 2.518 158 Y HA 0.061 4.611 4.550 -0.001 0.000 0.344 158 Y C 0.628 176.667 175.900 0.231 0.000 0.982 158 Y CA -1.043 57.178 58.100 0.202 0.000 1.234 158 Y CB 0.293 38.948 38.460 0.325 0.000 1.114 158 Y HN 0.032 nan 8.280 nan 0.000 0.515 159 L N 1.448 122.766 121.223 0.159 0.000 2.093 159 L HA -0.021 4.319 4.340 -0.001 0.000 0.208 159 L C 0.802 177.512 176.870 -0.266 0.000 1.085 159 L CA 1.135 55.986 54.840 0.020 0.000 0.755 159 L CB -0.308 41.739 42.059 -0.020 0.000 0.904 159 L HN 0.658 nan 8.230 nan 0.000 0.435 160 S N -2.955 112.315 115.700 -0.717 0.000 2.798 160 S HA 0.075 4.544 4.470 -0.001 0.000 0.291 160 S C 0.462 174.621 174.600 -0.735 0.000 0.894 160 S CA -0.083 57.311 58.200 -1.344 0.000 0.838 160 S CB -0.113 62.781 63.200 -0.510 0.000 1.047 160 S HN 0.150 nan 8.310 nan 0.000 0.482 161 S N 2.337 117.677 115.700 -0.601 0.000 2.548 161 S HA 0.255 4.725 4.470 -0.001 0.000 0.215 161 S C 0.695 175.293 174.600 -0.003 0.000 0.976 161 S CA 0.225 58.377 58.200 -0.080 0.000 0.908 161 S CB -0.131 63.189 63.200 0.200 0.000 0.781 161 S HN 0.916 nan 8.310 nan 0.000 0.519 162 V N 4.770 124.677 119.914 -0.012 0.000 2.681 162 V HA -0.005 4.114 4.120 -0.001 0.000 0.306 162 V C 1.255 177.380 176.094 0.052 0.000 1.077 162 V CA 0.767 63.107 62.300 0.065 0.000 1.224 162 V CB -0.171 31.715 31.823 0.105 0.000 0.879 162 V HN 0.808 nan 8.190 nan 0.000 0.494 163 N N 2.575 121.314 118.700 0.065 0.000 2.200 163 N HA 0.110 4.849 4.740 -0.001 0.000 0.224 163 N C -0.045 175.500 175.510 0.058 0.000 1.179 163 N CA -0.487 52.592 53.050 0.048 0.000 0.877 163 N CB 0.411 38.917 38.487 0.031 0.000 1.072 163 N HN 0.453 nan 8.380 nan 0.000 0.519 164 K N 0.155 120.604 120.400 0.080 0.000 2.118 164 K HA 0.314 4.633 4.320 -0.001 0.000 0.267 164 K C -0.006 176.646 176.600 0.088 0.000 0.991 164 K CA -0.353 55.976 56.287 0.070 0.000 0.916 164 K CB 1.346 33.890 32.500 0.074 0.000 1.041 164 K HN -0.007 nan 8.250 nan 0.000 0.455 165 T N 0.009 114.598 114.554 0.060 0.000 2.874 165 T HA 0.457 4.806 4.350 -0.001 0.000 0.281 165 T C 0.573 175.330 174.700 0.096 0.000 0.994 165 T CA 0.481 62.628 62.100 0.078 0.000 1.015 165 T CB 0.371 69.244 68.868 0.008 0.000 1.028 165 T HN 0.765 nan 8.240 nan 0.000 0.523 166 G N 1.449 110.356 108.800 0.178 0.000 2.198 166 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.257 166 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.257 166 G C 0.509 175.570 174.900 0.269 0.000 1.042 166 G CA 1.045 46.278 45.100 0.221 0.000 0.791 166 G HN 1.329 nan 8.290 nan 0.000 0.502 167 T N -3.852 110.903 114.554 0.336 0.000 3.087 167 T HA 0.615 4.965 4.350 -0.001 0.000 0.283 167 T C 0.599 175.581 174.700 0.470 0.000 0.956 167 T CA 0.749 63.123 62.100 0.457 0.000 0.894 167 T CB 0.348 69.516 68.868 0.499 0.000 1.160 167 T HN 0.859 nan 8.240 nan 0.000 0.532 168 M N 0.899 120.740 119.600 0.401 0.000 2.530 168 M HA 0.741 5.220 4.480 -0.001 0.000 0.307 168 M C -2.219 174.322 176.300 0.402 0.000 1.161 168 M CA -1.016 54.478 55.300 0.324 0.000 0.903 168 M CB 2.592 35.293 32.600 0.169 0.000 1.711 168 M HN 0.193 nan 8.290 nan 0.000 0.451 169 Y N 1.245 121.685 120.300 0.233 0.000 2.571 169 Y HA 0.741 5.291 4.550 -0.001 0.000 0.341 169 Y C -0.570 175.508 175.900 0.295 0.000 1.076 169 Y CA -0.339 57.917 58.100 0.260 0.000 1.029 169 Y CB 2.551 41.230 38.460 0.364 0.000 1.308 169 Y HN 0.795 nan 8.280 nan 0.000 0.461 170 G N 1.277 110.143 108.800 0.110 0.000 2.574 170 G HA2 0.646 4.606 3.960 -0.001 0.000 0.299 170 G HA3 0.646 4.606 3.960 -0.001 0.000 0.299 170 G C -2.278 172.745 174.900 0.205 0.000 1.298 170 G CA -0.868 44.372 45.100 0.234 0.000 0.952 170 G HN 0.514 nan 8.290 nan 0.000 0.477 171 V N 1.459 121.544 119.914 0.285 0.000 2.612 171 V HA 0.351 4.471 4.120 -0.001 0.000 0.301 171 V C -0.312 175.926 176.094 0.240 0.000 1.059 171 V CA -0.511 61.895 62.300 0.178 0.000 0.886 171 V CB 1.568 33.413 31.823 0.037 0.000 1.007 171 V HN 0.687 nan 8.190 nan 0.000 0.426 172 I N 4.706 125.366 120.570 0.150 0.000 2.395 172 I HA 0.408 4.577 4.170 -0.001 0.000 0.289 172 I C -0.461 175.754 176.117 0.163 0.000 1.023 172 I CA -0.407 60.978 61.300 0.143 0.000 1.350 172 I CB 1.575 39.622 38.000 0.079 0.000 1.409 172 I HN 0.283 nan 8.210 nan 0.000 0.507 173 V N 7.554 127.586 119.914 0.196 0.000 2.444 173 V HA 0.542 4.662 4.120 -0.001 0.000 0.294 173 V C -0.163 176.001 176.094 0.116 0.000 1.022 173 V CA -0.622 61.783 62.300 0.176 0.000 0.850 173 V CB 1.664 33.657 31.823 0.284 0.000 0.992 173 V HN 0.718 nan 8.190 nan 0.000 0.426 174 R N 3.117 123.666 120.500 0.083 0.000 2.585 174 R HA 0.476 4.816 4.340 -0.001 0.000 0.288 174 R C -0.790 175.537 176.300 0.045 0.000 1.194 174 R CA -0.107 56.027 56.100 0.057 0.000 1.006 174 R CB 1.833 32.161 30.300 0.048 0.000 1.229 174 R HN 0.751 nan 8.270 nan 0.000 0.412 175 S N 1.784 117.505 115.700 0.036 0.000 2.681 175 S HA 0.217 4.687 4.470 -0.001 0.000 0.270 175 S C -0.434 174.179 174.600 0.021 0.000 1.209 175 S CA -0.862 57.353 58.200 0.025 0.000 0.988 175 S CB 1.093 64.304 63.200 0.018 0.000 1.006 175 S HN 0.525 nan 8.310 nan 0.000 0.558 176 E N 0.335 120.545 120.200 0.017 0.000 2.417 176 E HA 0.349 4.699 4.350 -0.001 0.000 0.261 176 E C 1.071 177.678 176.600 0.012 0.000 1.000 176 E CA 0.633 57.042 56.400 0.014 0.000 0.919 176 E CB 0.129 29.836 29.700 0.012 0.000 0.955 176 E HN 0.918 nan 8.360 nan 0.000 0.455 177 G N 3.320 112.127 108.800 0.011 0.000 2.279 177 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.223 177 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.223 177 G C 0.146 175.052 174.900 0.009 0.000 1.015 177 G CA -0.187 44.919 45.100 0.009 0.000 0.621 177 G HN 0.536 nan 8.290 nan 0.000 0.506 178 E N 0.298 120.505 120.200 0.013 0.000 2.319 178 E HA 0.425 4.774 4.350 -0.001 0.000 0.268 178 E C 0.645 177.253 176.600 0.012 0.000 1.050 178 E CA -0.343 56.065 56.400 0.013 0.000 0.878 178 E CB 1.200 30.912 29.700 0.020 0.000 1.066 178 E HN 0.102 nan 8.360 nan 0.000 0.406 179 D N 0.950 121.355 120.400 0.008 0.000 2.162 179 D HA 0.061 4.700 4.640 -0.001 0.000 0.203 179 D C 0.227 176.529 176.300 0.003 0.000 0.967 179 D CA 1.308 55.309 54.000 0.003 0.000 0.840 179 D CB 0.267 41.065 40.800 -0.003 0.000 0.972 179 D HN 0.606 nan 8.370 nan 0.000 0.482 180 G N -0.191 108.613 108.800 0.008 0.000 2.465 180 G HA2 0.169 4.128 3.960 -0.001 0.000 0.681 180 G HA3 0.169 4.128 3.960 -0.001 0.000 0.681 180 G C -1.266 173.632 174.900 -0.003 0.000 1.340 180 G CA -0.340 44.767 45.100 0.012 0.000 0.884 180 G HN 0.395 nan 8.290 nan 0.000 0.650 181 K N -0.582 119.821 120.400 0.005 0.000 2.536 181 K HA 0.844 5.164 4.320 -0.001 0.000 0.269 181 K C -1.802 174.780 176.600 -0.030 0.000 0.965 181 K CA -1.266 54.989 56.287 -0.053 0.000 0.860 181 K CB 2.578 35.006 32.500 -0.119 0.000 1.423 181 K HN 1.307 nan 8.250 nan 0.000 0.438 182 L N 1.936 123.101 121.223 -0.098 0.000 2.372 182 L HA 0.515 4.855 4.340 -0.001 0.000 0.274 182 L C -1.867 174.977 176.870 -0.043 0.000 0.988 182 L CA -0.329 54.511 54.840 -0.001 0.000 0.833 182 L CB 1.056 43.111 42.059 -0.006 0.000 1.236 182 L HN 0.653 nan 8.230 nan 0.000 0.410 183 F N 6.132 126.180 119.950 0.164 0.000 2.411 183 F HA 0.509 5.035 4.527 -0.001 0.000 0.355 183 F C 0.199 176.120 175.800 0.202 0.000 1.117 183 F CA -0.306 57.828 58.000 0.223 0.000 1.139 183 F CB 1.000 40.224 39.000 0.374 0.000 1.120 183 F HN 0.226 nan 8.300 nan 0.000 0.493 184 I N 2.991 123.650 120.570 0.148 0.000 2.436 184 I HA 0.388 4.558 4.170 -0.001 0.000 0.289 184 I C 0.242 176.160 176.117 -0.332 0.000 1.010 184 I CA -0.389 60.908 61.300 -0.005 0.000 1.098 184 I CB 1.417 39.414 38.000 -0.005 0.000 1.266 184 I HN 0.603 nan 8.210 nan 0.000 0.434 185 G N 3.181 111.633 108.800 -0.579 0.000 2.415 185 G HA2 0.623 4.583 3.960 -0.001 0.000 0.327 185 G HA3 0.623 4.583 3.960 -0.001 0.000 0.327 185 G C -0.832 173.541 174.900 -0.878 0.000 1.182 185 G CA -0.368 43.919 45.100 -1.356 0.000 0.924 185 G HN 0.531 nan 8.290 nan 0.000 0.470 186 T N -0.315 113.822 114.554 -0.695 0.000 3.012 186 T HA 0.599 4.949 4.350 -0.001 0.000 0.330 186 T C 0.134 174.978 174.700 0.241 0.000 1.321 186 T CA 0.235 62.337 62.100 0.005 0.000 1.067 186 T CB 1.120 69.984 68.868 -0.005 0.000 1.235 186 T HN 1.349 nan 8.240 nan 0.000 0.479 187 A N 1.803 124.803 122.820 0.300 0.000 2.507 187 A HA 0.458 4.777 4.320 -0.001 0.000 0.235 187 A C 1.459 179.140 177.584 0.162 0.000 1.070 187 A CA 0.472 52.618 52.037 0.183 0.000 0.768 187 A CB -0.062 19.084 19.000 0.242 0.000 1.011 187 A HN 1.667 nan 8.150 nan 0.000 0.502 188 V N -2.119 117.899 119.914 0.172 0.000 3.432 188 V HA 0.330 4.450 4.120 -0.001 0.000 0.298 188 V C 0.335 176.611 176.094 0.305 0.000 1.464 188 V CA 0.919 63.383 62.300 0.273 0.000 1.046 188 V CB -0.465 31.558 31.823 0.333 0.000 0.887 188 V HN 0.925 nan 8.190 nan 0.000 0.441 189 D N 1.183 121.714 120.400 0.219 0.000 2.907 189 D HA -0.127 4.513 4.640 -0.001 0.000 0.226 189 D C 1.412 177.834 176.300 0.204 0.000 1.141 189 D CA 1.658 55.791 54.000 0.221 0.000 0.779 189 D CB -1.452 39.497 40.800 0.247 0.000 1.095 189 D HN 1.571 nan 8.370 nan 0.000 0.430 190 G N -0.227 108.680 108.800 0.178 0.000 2.180 190 G HA2 -0.394 3.565 3.960 -0.001 0.000 0.263 190 G HA3 -0.394 3.565 3.960 -0.001 0.000 0.263 190 G C 0.581 175.517 174.900 0.060 0.000 0.989 190 G CA 0.936 46.112 45.100 0.126 0.000 0.692 190 G HN 0.467 nan 8.290 nan 0.000 0.526 191 K N 0.982 121.439 120.400 0.095 0.000 2.778 191 K HA 0.267 4.587 4.320 -0.001 0.000 0.238 191 K C 1.886 178.450 176.600 -0.061 0.000 1.233 191 K CA 0.171 56.407 56.287 -0.085 0.000 1.195 191 K CB 0.569 33.042 32.500 -0.045 0.000 1.743 191 K HN 0.494 nan 8.250 nan 0.000 0.418 192 Q N -0.162 119.627 119.800 -0.019 0.000 2.291 192 Q HA -0.194 4.146 4.340 -0.001 0.000 0.206 192 Q C -0.134 175.867 176.000 0.001 0.000 0.976 192 Q CA 1.631 57.464 55.803 0.050 0.000 0.875 192 Q CB 0.205 28.982 28.738 0.065 0.000 0.927 192 Q HN 0.297 nan 8.270 nan 0.000 0.450 193 D N -0.745 119.583 120.400 -0.120 0.000 2.354 193 D HA 0.009 4.649 4.640 -0.001 0.000 0.209 193 D C 1.113 177.387 176.300 -0.043 0.000 1.015 193 D CA 0.211 54.156 54.000 -0.091 0.000 0.867 193 D CB 0.086 40.809 40.800 -0.128 0.000 0.933 193 D HN 0.218 nan 8.370 nan 0.000 0.520 194 Y N -0.118 119.967 120.300 -0.358 0.000 2.301 194 Y HA 0.129 4.678 4.550 -0.001 0.000 0.295 194 Y C 0.558 176.148 175.900 -0.517 0.000 1.119 194 Y CA 0.111 57.797 58.100 -0.691 0.000 1.162 194 Y CB -0.052 37.502 38.460 -1.511 0.000 1.046 194 Y HN -0.212 nan 8.280 nan 0.000 0.538 195 F N 0.628 120.750 119.950 0.288 0.000 2.507 195 F HA 0.487 5.014 4.527 -0.001 0.000 0.328 195 F C -2.534 173.371 175.800 0.175 0.000 1.136 195 F CA -3.791 54.348 58.000 0.231 0.000 0.930 195 F CB 0.919 40.053 39.000 0.222 0.000 1.166 195 F HN -0.246 nan 8.300 nan 0.000 0.436 196 P HA 0.033 nan 4.420 nan 0.000 0.268 196 P C 0.898 178.326 177.300 0.215 0.000 1.205 196 P CA 0.149 63.377 63.100 0.215 0.000 0.771 196 P CB 0.985 32.776 31.700 0.153 0.000 0.858 197 T N 1.700 116.387 114.554 0.220 0.000 2.985 197 T HA 0.050 4.400 4.350 -0.001 0.000 0.266 197 T C 0.301 175.041 174.700 0.066 0.000 1.076 197 T CA 0.853 63.085 62.100 0.221 0.000 1.135 197 T CB -0.349 68.730 68.868 0.352 0.000 0.890 197 T HN 0.223 nan 8.240 nan 0.000 0.480 198 L N 1.230 122.528 121.223 0.126 0.000 2.513 198 L HA 0.628 4.968 4.340 -0.001 0.000 0.261 198 L C -1.177 175.822 176.870 0.216 0.000 0.945 198 L CA -0.082 54.793 54.840 0.059 0.000 0.848 198 L CB 2.119 44.298 42.059 0.199 0.000 1.334 198 L HN 0.181 nan 8.230 nan 0.000 0.407 199 S N 1.645 117.468 115.700 0.205 0.000 2.636 199 S HA 0.752 5.222 4.470 -0.001 0.000 0.268 199 S C -1.357 173.366 174.600 0.205 0.000 1.159 199 S CA -0.463 57.836 58.200 0.166 0.000 0.815 199 S CB 1.320 64.548 63.200 0.047 0.000 1.130 199 S HN 0.894 nan 8.310 nan 0.000 0.471 200 S N -0.070 115.650 115.700 0.033 0.000 2.478 200 S HA 0.719 5.188 4.470 -0.001 0.000 0.312 200 S C -0.838 173.703 174.600 -0.098 0.000 1.094 200 S CA -0.693 57.384 58.200 -0.206 0.000 1.081 200 S CB 0.557 63.579 63.200 -0.296 0.000 1.007 200 S HN 0.711 nan 8.310 nan 0.000 0.475 201 R N 2.575 122.999 120.500 -0.126 0.000 2.740 201 R HA 0.423 4.763 4.340 -0.001 0.000 0.282 201 R C -0.744 175.500 176.300 -0.093 0.000 0.969 201 R CA -1.007 55.053 56.100 -0.067 0.000 0.918 201 R CB 1.669 31.930 30.300 -0.066 0.000 1.175 201 R HN 0.567 nan 8.270 nan 0.000 0.464 202 K N 1.511 121.871 120.400 -0.068 0.000 2.401 202 K HA 0.089 4.409 4.320 -0.001 0.000 0.278 202 K C -0.385 176.176 176.600 -0.065 0.000 1.018 202 K CA 0.054 56.306 56.287 -0.059 0.000 0.981 202 K CB 0.460 32.934 32.500 -0.043 0.000 0.933 202 K HN 0.156 nan 8.250 nan 0.000 0.477 203 L N 5.818 127.010 121.223 -0.053 0.000 2.529 203 L HA 0.300 4.639 4.340 -0.001 0.000 0.246 203 L C -2.624 174.223 176.870 -0.039 0.000 1.394 203 L CA -1.923 52.886 54.840 -0.052 0.000 0.906 203 L CB 0.984 43.018 42.059 -0.042 0.000 1.170 203 L HN 0.399 nan 8.230 nan 0.000 0.501 204 P HA 0.170 nan 4.420 nan 0.000 0.269 204 P C 0.389 177.672 177.300 -0.028 0.000 1.215 204 P CA 0.006 63.088 63.100 -0.030 0.000 0.780 204 P CB 0.704 32.384 31.700 -0.033 0.000 0.898 205 R N 0.545 121.034 120.500 -0.017 0.000 2.096 205 R HA -0.101 4.238 4.340 -0.001 0.000 0.235 205 R C 0.757 177.045 176.300 -0.020 0.000 1.127 205 R CA 1.076 57.167 56.100 -0.014 0.000 0.968 205 R CB -0.384 29.913 30.300 -0.005 0.000 0.861 205 R HN 0.564 nan 8.270 nan 0.000 0.440 206 D N 0.643 121.030 120.400 -0.022 0.000 2.338 206 D HA 0.036 4.675 4.640 -0.001 0.000 0.255 206 D C -1.783 174.495 176.300 -0.036 0.000 1.237 206 D CA -2.200 51.785 54.000 -0.025 0.000 0.883 206 D CB 1.417 42.204 40.800 -0.021 0.000 1.087 206 D HN -0.108 nan 8.370 nan 0.000 0.485 207 P HA -0.099 nan 4.420 nan 0.000 0.219 207 P C 0.461 177.728 177.300 -0.055 0.000 1.146 207 P CA 1.000 64.069 63.100 -0.052 0.000 0.808 207 P CB 0.283 31.956 31.700 -0.046 0.000 0.779 208 E N -0.796 119.379 120.200 -0.042 0.000 2.489 208 E HA 0.047 4.397 4.350 -0.001 0.000 0.193 208 E C 0.478 177.056 176.600 -0.036 0.000 1.057 208 E CA -0.164 56.214 56.400 -0.038 0.000 0.866 208 E CB -0.093 29.591 29.700 -0.027 0.000 0.916 208 E HN 0.093 nan 8.360 nan 0.000 0.500 209 S N 1.180 116.856 115.700 -0.040 0.000 2.593 209 S HA -0.066 4.404 4.470 -0.001 0.000 0.300 209 S C 1.373 175.953 174.600 -0.034 0.000 1.267 209 S CA 0.114 58.293 58.200 -0.034 0.000 1.065 209 S CB 0.646 63.823 63.200 -0.038 0.000 0.807 209 S HN 0.298 nan 8.310 nan 0.000 0.499 210 S N 3.686 119.375 115.700 -0.019 0.000 2.603 210 S HA 0.108 4.577 4.470 -0.001 0.000 0.229 210 S C 1.199 175.797 174.600 -0.003 0.000 0.972 210 S CA 0.312 58.508 58.200 -0.005 0.000 0.935 210 S CB -0.122 63.079 63.200 0.001 0.000 0.769 210 S HN 0.932 nan 8.310 nan 0.000 0.536 211 A N 0.430 123.239 122.820 -0.017 0.000 2.470 211 A HA 0.563 4.882 4.320 -0.001 0.000 0.251 211 A C 0.606 178.170 177.584 -0.033 0.000 1.245 211 A CA -0.554 51.474 52.037 -0.015 0.000 0.932 211 A CB -0.312 18.678 19.000 -0.016 0.000 1.037 211 A HN 0.470 nan 8.150 nan 0.000 0.522 212 M N 0.973 120.530 119.600 -0.071 0.000 2.338 212 M HA 0.145 4.625 4.480 -0.001 0.000 0.360 212 M C 0.520 176.709 176.300 -0.186 0.000 1.547 212 M CA 0.567 55.789 55.300 -0.130 0.000 1.001 212 M CB -0.887 31.613 32.600 -0.168 0.000 2.008 212 M HN 0.426 nan 8.290 nan 0.000 0.464 213 L N 2.064 123.199 121.223 -0.146 0.000 4.625 213 L HA -0.337 4.003 4.340 -0.001 0.000 0.428 213 L C -0.250 176.597 176.870 -0.038 0.000 1.129 213 L CA 0.340 55.104 54.840 -0.128 0.000 0.978 213 L CB -2.128 39.797 42.059 -0.225 0.000 2.043 213 L HN 0.681 nan 8.230 nan 0.000 0.847 214 D N -0.620 119.771 120.400 -0.015 0.000 2.378 214 D HA 0.179 4.819 4.640 -0.001 0.000 0.238 214 D C 0.300 176.502 176.300 -0.164 0.000 1.180 214 D CA 0.045 53.970 54.000 -0.125 0.000 0.895 214 D CB 0.271 41.032 40.800 -0.065 0.000 1.192 214 D HN -0.060 nan 8.370 nan 0.000 0.438 215 Y N 0.833 121.047 120.300 -0.143 0.000 2.702 215 Y HA -0.059 4.491 4.550 -0.001 0.000 0.336 215 Y C 1.875 177.712 175.900 -0.105 0.000 1.235 215 Y CA 0.157 58.169 58.100 -0.147 0.000 1.492 215 Y CB 0.245 38.593 38.460 -0.187 0.000 1.308 215 Y HN 0.507 nan 8.280 nan 0.000 0.589 216 E N 1.360 121.601 120.200 0.068 0.000 2.085 216 E HA -0.154 4.195 4.350 -0.001 0.000 0.194 216 E C -0.420 176.192 176.600 0.021 0.000 0.994 216 E CA 0.919 57.322 56.400 0.005 0.000 0.801 216 E CB 0.113 29.789 29.700 -0.039 0.000 0.743 216 E HN 0.421 nan 8.360 nan 0.000 0.453 217 L N 0.647 121.879 121.223 0.016 0.000 2.438 217 L HA 0.377 4.716 4.340 -0.001 0.000 0.270 217 L C -1.853 175.054 176.870 0.063 0.000 0.972 217 L CA -0.738 54.109 54.840 0.012 0.000 0.831 217 L CB 1.942 43.976 42.059 -0.043 0.000 1.273 217 L HN 0.023 nan 8.230 nan 0.000 0.405 218 H N 2.629 121.675 119.070 -0.040 0.000 2.823 218 H HA 0.841 5.396 4.556 -0.001 0.000 0.332 218 H C -1.215 174.077 175.328 -0.061 0.000 0.980 218 H CA -0.045 55.973 56.048 -0.051 0.000 1.286 218 H CB 1.600 31.387 29.762 0.041 0.000 1.541 218 H HN 0.700 nan 8.280 nan 0.000 0.521 219 S N 2.278 117.757 115.700 -0.368 0.000 2.697 219 S HA 0.132 4.602 4.470 -0.001 0.000 0.289 219 S C 0.330 174.656 174.600 -0.457 0.000 1.149 219 S CA -0.697 57.324 58.200 -0.299 0.000 0.850 219 S CB 1.410 64.528 63.200 -0.137 0.000 1.151 219 S HN 0.782 nan 8.310 nan 0.000 0.491 220 D N 0.259 120.403 120.400 -0.427 0.000 2.178 220 D HA -0.018 4.622 4.640 -0.001 0.000 0.202 220 D C 0.614 176.442 176.300 -0.787 0.000 0.974 220 D CA 1.452 55.038 54.000 -0.691 0.000 0.841 220 D CB -0.032 40.208 40.800 -0.933 0.000 0.953 220 D HN 0.410 nan 8.370 nan 0.000 0.478 221 F N -0.478 119.393 119.950 -0.132 0.000 2.752 221 F HA 0.285 4.812 4.527 -0.001 0.000 0.310 221 F C 0.136 175.876 175.800 -0.099 0.000 1.097 221 F CA -0.200 57.742 58.000 -0.097 0.000 1.238 221 F CB 0.952 39.915 39.000 -0.062 0.000 1.061 221 F HN -0.287 nan 8.300 nan 0.000 0.591 222 V N 0.340 120.263 119.914 0.014 0.000 2.482 222 V HA 0.548 4.667 4.120 -0.001 0.000 0.295 222 V C -0.496 175.518 176.094 -0.132 0.000 1.026 222 V CA -0.594 61.685 62.300 -0.035 0.000 0.856 222 V CB 1.456 33.282 31.823 0.006 0.000 1.001 222 V HN 0.057 nan 8.190 nan 0.000 0.424 223 S N 1.803 117.392 115.700 -0.184 0.000 2.632 223 S HA 0.424 4.894 4.470 -0.001 0.000 0.289 223 S C 0.263 174.619 174.600 -0.407 0.000 1.115 223 S CA -0.607 57.444 58.200 -0.248 0.000 0.889 223 S CB 2.023 65.081 63.200 -0.238 0.000 1.116 223 S HN 0.871 nan 8.310 nan 0.000 0.486 224 S N 1.258 116.662 115.700 -0.494 0.000 4.069 224 S HA 0.467 4.936 4.470 -0.001 0.000 0.192 224 S C -0.298 173.500 174.600 -1.337 0.000 1.441 224 S CA -0.521 57.170 58.200 -0.848 0.000 0.994 224 S CB -1.564 61.395 63.200 -0.403 0.000 1.456 224 S HN 0.605 nan 8.310 nan 0.000 0.458 225 L N -1.860 118.618 121.223 -1.242 0.000 2.653 225 L HA 0.729 5.069 4.340 -0.001 0.000 0.257 225 L C -1.534 175.144 176.870 -0.320 0.000 0.969 225 L CA -1.113 53.280 54.840 -0.745 0.000 0.869 225 L CB 0.910 42.611 42.059 -0.596 0.000 1.439 225 L HN 0.007 nan 8.230 nan 0.000 0.414 226 I N 1.503 122.072 120.570 -0.003 0.000 2.378 226 I HA 0.527 4.697 4.170 -0.001 0.000 0.291 226 I C -0.178 176.002 176.117 0.106 0.000 0.992 226 I CA -0.435 60.912 61.300 0.080 0.000 1.154 226 I CB 1.590 39.707 38.000 0.194 0.000 1.315 226 I HN 0.730 nan 8.210 nan 0.000 0.448 227 K N 5.795 126.237 120.400 0.070 0.000 2.164 227 K HA 0.601 4.921 4.320 -0.001 0.000 0.258 227 K C -0.420 176.290 176.600 0.183 0.000 0.951 227 K CA -0.778 55.581 56.287 0.119 0.000 0.844 227 K CB 2.253 34.788 32.500 0.059 0.000 1.099 227 K HN 0.435 nan 8.250 nan 0.000 0.435 228 I N 4.845 125.572 120.570 0.263 0.000 2.533 228 I HA 0.066 4.236 4.170 -0.001 0.000 0.284 228 I C -2.010 174.205 176.117 0.163 0.000 1.109 228 I CA -1.900 59.600 61.300 0.334 0.000 1.412 228 I CB 0.415 38.630 38.000 0.357 0.000 1.396 228 I HN 0.258 nan 8.210 nan 0.000 0.543 229 P HA 0.103 nan 4.420 nan 0.000 0.271 229 P C 0.436 177.734 177.300 -0.004 0.000 1.216 229 P CA -0.060 63.050 63.100 0.017 0.000 0.776 229 P CB 0.789 32.472 31.700 -0.028 0.000 0.881 230 S N 1.303 116.992 115.700 -0.018 0.000 2.387 230 S HA -0.194 4.276 4.470 -0.001 0.000 0.230 230 S C 1.325 175.895 174.600 -0.050 0.000 1.035 230 S CA 1.580 59.762 58.200 -0.031 0.000 1.014 230 S CB -0.764 62.415 63.200 -0.035 0.000 0.836 230 S HN 0.575 nan 8.310 nan 0.000 0.466 231 D N 1.109 121.475 120.400 -0.057 0.000 2.133 231 D HA -0.090 4.550 4.640 -0.001 0.000 0.195 231 D C 2.050 178.287 176.300 -0.106 0.000 0.997 231 D CA 1.446 55.404 54.000 -0.070 0.000 0.840 231 D CB -0.693 40.068 40.800 -0.066 0.000 0.947 231 D HN 0.360 nan 8.370 nan 0.000 0.452 232 T N 1.030 115.492 114.554 -0.154 0.000 2.777 232 T HA -0.031 4.319 4.350 -0.001 0.000 0.266 232 T C 2.255 176.765 174.700 -0.317 0.000 1.040 232 T CA 0.401 62.308 62.100 -0.322 0.000 1.141 232 T CB -0.225 68.329 68.868 -0.522 0.000 0.868 232 T HN 0.123 nan 8.240 nan 0.000 0.444 233 L N 0.795 121.916 121.223 -0.170 0.000 2.131 233 L HA -0.090 4.250 4.340 -0.001 0.000 0.210 233 L C 2.985 179.829 176.870 -0.044 0.000 1.092 233 L CA 1.085 55.901 54.840 -0.039 0.000 0.759 233 L CB -0.624 41.444 42.059 0.015 0.000 0.903 233 L HN 0.252 nan 8.230 nan 0.000 0.435 234 A N -0.097 122.686 122.820 -0.061 0.000 1.898 234 A HA -0.123 4.196 4.320 -0.001 0.000 0.216 234 A C 2.248 179.805 177.584 -0.044 0.000 1.181 234 A CA 1.192 53.200 52.037 -0.049 0.000 0.620 234 A CB -0.520 18.452 19.000 -0.046 0.000 0.819 234 A HN 0.342 nan 8.150 nan 0.000 0.442 235 L N -0.745 120.442 121.223 -0.061 0.000 2.109 235 L HA -0.018 4.322 4.340 -0.001 0.000 0.207 235 L C -0.156 176.705 176.870 -0.015 0.000 1.086 235 L CA 0.602 55.415 54.840 -0.046 0.000 0.760 235 L CB 0.008 42.026 42.059 -0.067 0.000 0.910 235 L HN 0.153 nan 8.230 nan 0.000 0.437 236 V N -0.396 119.517 119.914 -0.002 0.000 2.443 236 V HA 0.190 4.310 4.120 -0.001 0.000 0.293 236 V C -0.031 176.127 176.094 0.105 0.000 1.021 236 V CA -0.679 61.669 62.300 0.080 0.000 0.848 236 V CB 1.602 33.529 31.823 0.173 0.000 0.998 236 V HN 0.051 nan 8.190 nan 0.000 0.424 237 S N 5.013 120.759 115.700 0.076 0.000 2.544 237 S HA 0.131 4.601 4.470 -0.001 0.000 0.290 237 S C 0.786 175.458 174.600 0.119 0.000 1.276 237 S CA 0.182 58.383 58.200 0.003 0.000 1.075 237 S CB -0.311 62.913 63.200 0.039 0.000 0.849 237 S HN 0.943 nan 8.310 nan 0.000 0.494 238 H N -0.457 118.697 119.070 0.141 0.000 2.862 238 H HA -0.195 4.360 4.556 -0.001 0.000 0.290 238 H C -0.056 175.367 175.328 0.157 0.000 1.211 238 H CA 0.639 56.776 56.048 0.148 0.000 1.140 238 H CB -1.995 27.855 29.762 0.146 0.000 1.341 238 H HN 0.654 nan 8.280 nan 0.000 0.392 239 F N 2.115 122.110 119.950 0.074 0.000 2.607 239 F HA 0.259 4.786 4.527 -0.001 0.000 0.374 239 F C 0.572 176.344 175.800 -0.048 0.000 1.104 239 F CA 0.664 58.663 58.000 -0.002 0.000 1.296 239 F CB 0.519 39.499 39.000 -0.033 0.000 1.085 239 F HN 0.175 nan 8.300 nan 0.000 0.584 240 D N 4.816 124.664 120.400 -0.919 0.000 2.622 240 D HA 0.426 5.066 4.640 -0.001 0.000 0.255 240 D C -1.342 174.169 176.300 -1.316 0.000 1.246 240 D CA -0.419 53.082 54.000 -0.831 0.000 0.795 240 D CB 1.780 42.281 40.800 -0.499 0.000 1.369 240 D HN 0.448 nan 8.370 nan 0.000 0.425 241 I N 1.803 121.805 120.570 -0.947 0.000 2.389 241 I HA 0.376 4.546 4.170 -0.001 0.000 0.288 241 I C -0.655 175.048 176.117 -0.691 0.000 0.999 241 I CA -0.749 60.027 61.300 -0.873 0.000 1.129 241 I CB 1.082 38.716 38.000 -0.610 0.000 1.288 241 I HN 0.110 nan 8.210 nan 0.000 0.444 242 F N 5.279 125.087 119.950 -0.237 0.000 2.415 242 F HA 0.390 4.917 4.527 -0.001 0.000 0.348 242 F C -0.339 175.397 175.800 -0.106 0.000 1.119 242 F CA -0.746 57.233 58.000 -0.034 0.000 1.069 242 F CB 0.541 39.565 39.000 0.040 0.000 1.124 242 F HN 0.257 nan 8.300 nan 0.000 0.472 243 Y N 4.276 124.768 120.300 0.320 0.000 2.518 243 Y HA 0.230 4.780 4.550 -0.001 0.000 0.344 243 Y C 1.011 177.122 175.900 0.352 0.000 0.982 243 Y CA -0.625 57.666 58.100 0.318 0.000 1.234 243 Y CB 0.350 39.011 38.460 0.335 0.000 1.114 243 Y HN 0.470 nan 8.280 nan 0.000 0.515 244 I N 2.381 123.159 120.570 0.346 0.000 2.353 244 I HA -0.171 3.998 4.170 -0.001 0.000 0.248 244 I C 0.118 176.364 176.117 0.215 0.000 1.119 244 I CA 0.995 62.467 61.300 0.287 0.000 1.417 244 I CB -0.818 37.301 38.000 0.199 0.000 1.078 244 I HN 0.486 nan 8.210 nan 0.000 0.421 245 Y N -0.678 119.536 120.300 -0.143 0.000 2.713 245 Y HA 0.605 5.154 4.550 -0.001 0.000 0.335 245 Y C -0.487 175.086 175.900 -0.544 0.000 1.222 245 Y CA -1.084 56.590 58.100 -0.710 0.000 1.061 245 Y CB 1.512 39.804 38.460 -0.280 0.000 1.314 245 Y HN -0.063 nan 8.280 nan 0.000 0.453 246 G N 1.907 109.874 108.800 -1.388 0.000 2.732 246 G HA2 0.612 4.571 3.960 -0.001 0.000 0.296 246 G HA3 0.612 4.571 3.960 -0.001 0.000 0.296 246 G C -2.241 172.163 174.900 -0.828 0.000 1.448 246 G CA -0.421 44.065 45.100 -1.023 0.000 0.911 246 G HN 0.989 nan 8.290 nan 0.000 0.528 247 F N -0.634 118.919 119.950 -0.661 0.000 2.713 247 F HA 0.887 5.414 4.527 -0.001 0.000 0.311 247 F C -0.338 175.360 175.800 -0.169 0.000 1.141 247 F CA -1.529 56.248 58.000 -0.371 0.000 0.939 247 F CB 1.202 40.026 39.000 -0.294 0.000 1.325 247 F HN 0.908 nan 8.300 nan 0.000 0.453 248 A N 1.164 124.071 122.820 0.144 0.000 2.312 248 A HA 0.813 5.133 4.320 -0.001 0.000 0.328 248 A C -0.645 177.143 177.584 0.339 0.000 1.158 248 A CA -0.443 51.681 52.037 0.144 0.000 0.821 248 A CB 1.176 20.213 19.000 0.061 0.000 1.170 248 A HN 1.187 nan 8.150 nan 0.000 0.490 249 S N 0.888 116.817 115.700 0.381 0.000 2.626 249 S HA 0.576 5.045 4.470 -0.001 0.000 0.275 249 S C 0.319 175.119 174.600 0.334 0.000 1.175 249 S CA 0.810 59.214 58.200 0.340 0.000 0.982 249 S CB 0.266 63.671 63.200 0.343 0.000 1.093 249 S HN 2.792 nan 8.310 nan 0.000 0.472 250 G N 4.098 113.014 108.800 0.194 0.000 2.583 250 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.292 250 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.292 250 G C 0.868 175.788 174.900 0.034 0.000 1.203 250 G CA 0.341 45.527 45.100 0.143 0.000 0.987 250 G HN 1.780 nan 8.290 nan 0.000 0.554 251 G N -0.525 108.199 108.800 -0.126 0.000 3.088 251 G HA2 0.497 4.456 3.960 -0.001 0.000 0.212 251 G HA3 0.497 4.456 3.960 -0.001 0.000 0.212 251 G C 0.160 174.637 174.900 -0.706 0.000 1.173 251 G CA 0.508 45.333 45.100 -0.458 0.000 0.779 251 G HN 0.476 nan 8.290 nan 0.000 0.540 252 F N -0.769 119.122 119.950 -0.098 0.000 2.598 252 F HA 0.642 5.168 4.527 -0.001 0.000 0.327 252 F C 0.059 175.623 175.800 -0.393 0.000 1.057 252 F CA -1.441 56.370 58.000 -0.316 0.000 0.957 252 F CB 1.933 40.620 39.000 -0.522 0.000 1.278 252 F HN -0.052 nan 8.300 nan 0.000 0.484 253 V N -1.030 118.614 119.914 -0.451 0.000 2.815 253 V HA 0.665 4.785 4.120 -0.001 0.000 0.314 253 V C -1.721 173.885 176.094 -0.812 0.000 1.064 253 V CA -1.123 60.837 62.300 -0.565 0.000 0.952 253 V CB 1.697 33.072 31.823 -0.747 0.000 1.020 253 V HN 0.679 nan 8.190 nan 0.000 0.439 254 Y N 1.861 121.641 120.300 -0.867 0.000 2.442 254 Y HA 0.776 5.325 4.550 -0.001 0.000 0.344 254 Y C -0.775 174.557 175.900 -0.946 0.000 0.976 254 Y CA -0.613 56.943 58.100 -0.907 0.000 1.040 254 Y CB 2.348 39.926 38.460 -1.469 0.000 1.228 254 Y HN 0.643 nan 8.280 nan 0.000 0.451 255 F N 3.268 123.076 119.950 -0.237 0.000 2.520 255 F HA 0.597 5.124 4.527 -0.001 0.000 0.322 255 F C -0.748 175.034 175.800 -0.030 0.000 1.103 255 F CA -0.897 57.071 58.000 -0.052 0.000 0.926 255 F CB 1.536 40.638 39.000 0.170 0.000 1.154 255 F HN 0.162 nan 8.300 nan 0.000 0.453 256 L N 3.366 124.698 121.223 0.181 0.000 2.287 256 L HA 0.630 4.970 4.340 -0.001 0.000 0.287 256 L C -0.162 176.802 176.870 0.158 0.000 1.022 256 L CA -0.582 54.343 54.840 0.142 0.000 0.814 256 L CB 1.546 43.737 42.059 0.219 0.000 1.217 256 L HN 0.685 nan 8.230 nan 0.000 0.420 257 T N 0.044 114.647 114.554 0.081 0.000 2.924 257 T HA 0.787 5.136 4.350 -0.001 0.000 0.291 257 T C -0.493 174.207 174.700 0.000 0.000 1.045 257 T CA -0.762 61.282 62.100 -0.094 0.000 1.015 257 T CB 2.408 71.070 68.868 -0.343 0.000 1.103 257 T HN 0.170 nan 8.240 nan 0.000 0.496 258 V N 2.824 122.702 119.914 -0.059 0.000 2.656 258 V HA 0.756 4.875 4.120 -0.001 0.000 0.307 258 V C -0.606 175.373 176.094 -0.192 0.000 1.051 258 V CA -0.731 61.525 62.300 -0.073 0.000 0.893 258 V CB 1.505 33.251 31.823 -0.129 0.000 0.999 258 V HN 1.180 nan 8.190 nan 0.000 0.426 259 Q N 3.786 123.483 119.800 -0.171 0.000 2.522 259 Q HA 0.547 4.887 4.340 -0.001 0.000 0.285 259 Q C -3.223 172.640 176.000 -0.229 0.000 0.982 259 Q CA -2.084 53.510 55.803 -0.349 0.000 0.805 259 Q CB 2.590 30.969 28.738 -0.599 0.000 1.457 259 Q HN 0.392 nan 8.270 nan 0.000 0.394 260 P HA 0.007 nan 4.420 nan 0.000 0.268 260 P C -0.922 176.320 177.300 -0.097 0.000 1.205 260 P CA 0.189 63.000 63.100 -0.481 0.000 0.771 260 P CB 0.478 32.008 31.700 -0.283 0.000 0.858 261 E N 1.476 121.633 120.200 -0.071 0.000 2.257 261 E HA 0.116 4.465 4.350 -0.001 0.000 0.278 261 E C -0.089 176.553 176.600 0.070 0.000 1.049 261 E CA -0.349 56.085 56.400 0.056 0.000 0.876 261 E CB 0.291 30.041 29.700 0.083 0.000 1.035 261 E HN 0.430 nan 8.360 nan 0.000 0.419 262 T N 3.490 118.110 114.554 0.110 0.000 2.853 262 T HA 0.154 4.504 4.350 -0.001 0.000 0.298 262 T C -1.800 172.915 174.700 0.026 0.000 0.978 262 T CA -1.529 60.610 62.100 0.065 0.000 1.152 262 T CB 0.327 69.240 68.868 0.077 0.000 0.914 262 T HN 0.335 nan 8.240 nan 0.000 0.539 275 F N 0.693 120.633 119.950 -0.018 0.000 2.385 275 F HA 0.687 5.214 4.527 -0.001 0.000 0.336 275 F C -0.295 175.423 175.800 -0.137 0.000 1.100 275 F CA -0.295 57.722 58.000 0.027 0.000 1.116 275 F CB 1.114 40.138 39.000 0.040 0.000 1.166 275 F HN 0.265 nan 8.300 nan 0.000 0.511 276 Y N -0.077 120.305 120.300 0.137 0.000 2.509 276 Y HA 0.555 5.104 4.550 -0.001 0.000 0.341 276 Y C 0.156 176.105 175.900 0.082 0.000 1.038 276 Y CA -0.806 57.319 58.100 0.042 0.000 1.089 276 Y CB 2.152 40.555 38.460 -0.094 0.000 1.241 276 Y HN 0.376 nan 8.280 nan 0.000 0.468 277 T N 1.742 116.409 114.554 0.188 0.000 2.812 277 T HA 0.378 4.727 4.350 -0.001 0.000 0.282 277 T C -0.792 174.008 174.700 0.167 0.000 0.990 277 T CA -0.847 61.361 62.100 0.179 0.000 0.960 277 T CB 0.896 69.860 68.868 0.161 0.000 0.948 277 T HN 0.511 nan 8.240 nan 0.000 0.438 278 S N 3.724 119.562 115.700 0.229 0.000 2.480 278 S HA 0.611 5.080 4.470 -0.001 0.000 0.286 278 S C 0.019 174.899 174.600 0.467 0.000 1.180 278 S CA -0.919 57.459 58.200 0.297 0.000 1.075 278 S CB 0.860 64.241 63.200 0.301 0.000 0.996 278 S HN 0.511 nan 8.310 nan 0.000 0.487 279 R N 1.475 122.241 120.500 0.443 0.000 2.837 279 R HA 0.572 4.912 4.340 -0.001 0.000 0.271 279 R C -1.099 175.219 176.300 0.030 0.000 0.993 279 R CA -0.789 55.501 56.100 0.318 0.000 0.931 279 R CB 1.580 31.996 30.300 0.192 0.000 1.206 279 R HN 0.498 nan 8.270 nan 0.000 0.474 280 I N 1.879 122.310 120.570 -0.232 0.000 2.336 280 I HA 0.290 4.460 4.170 -0.001 0.000 0.292 280 I C -0.447 175.575 176.117 -0.159 0.000 0.991 280 I CA -0.908 60.176 61.300 -0.359 0.000 1.227 280 I CB 1.764 39.460 38.000 -0.505 0.000 1.366 280 I HN 0.141 nan 8.210 nan 0.000 0.466 281 V N 7.115 126.953 119.914 -0.128 0.000 2.417 281 V HA 0.473 4.592 4.120 -0.001 0.000 0.291 281 V C 0.009 175.928 176.094 -0.292 0.000 1.024 281 V CA -0.661 61.513 62.300 -0.211 0.000 0.861 281 V CB 1.679 33.438 31.823 -0.108 0.000 0.985 281 V HN 0.679 nan 8.190 nan 0.000 0.436 282 R N 4.524 124.770 120.500 -0.424 0.000 2.562 282 R HA 0.802 5.141 4.340 -0.001 0.000 0.298 282 R C -1.748 174.282 176.300 -0.450 0.000 0.961 282 R CA -0.648 55.123 56.100 -0.549 0.000 0.881 282 R CB 1.538 31.464 30.300 -0.623 0.000 1.159 282 R HN 0.691 nan 8.270 nan 0.000 0.450 283 L N 3.245 124.215 121.223 -0.422 0.000 2.401 283 L HA 0.469 4.809 4.340 -0.001 0.000 0.266 283 L C -0.362 176.419 176.870 -0.149 0.000 0.991 283 L CA -1.110 53.554 54.840 -0.294 0.000 0.818 283 L CB 2.263 44.077 42.059 -0.408 0.000 1.321 283 L HN 0.724 nan 8.230 nan 0.000 0.413 284 c N 1.689 120.273 118.600 -0.025 0.000 2.657 284 c HA -0.007 4.562 4.570 -0.001 0.000 0.420 284 c C 2.011 176.016 174.090 -0.143 0.000 1.323 284 c CA -0.169 56.089 56.329 -0.118 0.000 1.894 284 c CB 0.098 42.536 42.510 -0.119 0.000 2.681 284 c HN 0.844 nan 8.230 nan 0.000 0.613 285 K N 0.893 121.176 120.400 -0.196 0.000 2.097 285 K HA -0.139 4.181 4.320 -0.001 0.000 0.206 285 K C 0.451 177.129 176.600 0.129 0.000 1.049 285 K CA 1.357 57.621 56.287 -0.038 0.000 0.933 285 K CB 0.006 32.464 32.500 -0.071 0.000 0.717 285 K HN 0.654 nan 8.250 nan 0.000 0.442 286 D N 0.846 121.256 120.400 0.017 0.000 2.479 286 D HA 0.076 4.716 4.640 -0.001 0.000 0.247 286 D C -1.590 174.730 176.300 0.033 0.000 1.119 286 D CA -0.351 53.674 54.000 0.041 0.000 0.922 286 D CB 0.482 41.278 40.800 -0.007 0.000 1.014 286 D HN -0.057 nan 8.370 nan 0.000 0.510 287 D N 3.410 123.869 120.400 0.100 0.000 3.250 287 D HA 0.199 4.839 4.640 -0.001 0.000 0.252 287 D C -2.134 174.281 176.300 0.191 0.000 1.342 287 D CA -1.204 52.851 54.000 0.091 0.000 0.807 287 D CB 1.122 41.955 40.800 0.055 0.000 1.449 287 D HN 0.100 nan 8.370 nan 0.000 0.610 288 P HA -0.067 nan 4.420 nan 0.000 0.222 288 P C 0.828 178.170 177.300 0.071 0.000 1.147 288 P CA 0.871 64.041 63.100 0.117 0.000 0.790 288 P CB 0.275 31.994 31.700 0.031 0.000 0.780 289 K N -2.345 118.048 120.400 -0.012 0.000 2.426 289 K HA 0.094 4.413 4.320 -0.001 0.000 0.193 289 K C -0.168 176.397 176.600 -0.057 0.000 1.028 289 K CA -0.093 56.066 56.287 -0.213 0.000 1.047 289 K CB -0.152 31.987 32.500 -0.602 0.000 0.821 289 K HN -0.104 nan 8.250 nan 0.000 0.513 290 F N 0.288 120.165 119.950 -0.121 0.000 3.034 290 F HA -0.271 4.256 4.527 -0.001 0.000 0.286 290 F C 0.795 176.665 175.800 0.116 0.000 0.804 290 F CA 0.565 58.588 58.000 0.038 0.000 1.161 290 F CB -2.294 36.742 39.000 0.061 0.000 1.317 290 F HN 0.314 nan 8.300 nan 0.000 0.453 291 H N -1.063 118.122 119.070 0.193 0.000 2.524 291 H HA 0.035 4.591 4.556 -0.001 0.000 0.282 291 H C 2.199 177.592 175.328 0.109 0.000 1.016 291 H CA 1.281 57.404 56.048 0.125 0.000 1.270 291 H CB -0.163 29.643 29.762 0.074 0.000 1.394 291 H HN 0.444 nan 8.280 nan 0.000 0.568 292 S N -0.609 115.199 115.700 0.180 0.000 2.603 292 S HA -0.090 4.379 4.470 -0.001 0.000 0.220 292 S C 0.742 175.411 174.600 0.115 0.000 0.967 292 S CA -0.513 57.749 58.200 0.104 0.000 0.920 292 S CB -0.855 62.364 63.200 0.030 0.000 0.773 292 S HN 0.327 nan 8.310 nan 0.000 0.529 293 Y N 2.530 122.841 120.300 0.018 0.000 2.802 293 Y HA 0.266 4.816 4.550 -0.001 0.000 0.333 293 Y C -0.487 175.432 175.900 0.031 0.000 1.244 293 Y CA 0.256 58.354 58.100 -0.004 0.000 1.558 293 Y CB 0.166 38.650 38.460 0.040 0.000 1.233 293 Y HN 0.073 nan 8.280 nan 0.000 0.547 294 V N 5.340 125.133 119.914 -0.202 0.000 2.760 294 V HA 0.469 4.589 4.120 -0.001 0.000 0.309 294 V C -0.761 175.202 176.094 -0.218 0.000 1.077 294 V CA -0.906 61.350 62.300 -0.074 0.000 0.910 294 V CB 1.957 33.755 31.823 -0.041 0.000 1.008 294 V HN 0.670 nan 8.190 nan 0.000 0.424 295 S N 4.851 120.542 115.700 -0.015 0.000 2.672 295 S HA 0.835 5.304 4.470 -0.001 0.000 0.291 295 S C -1.406 173.251 174.600 0.095 0.000 1.145 295 S CA -0.445 57.773 58.200 0.028 0.000 1.013 295 S CB 0.807 64.139 63.200 0.220 0.000 1.017 295 S HN 0.618 nan 8.310 nan 0.000 0.487 296 L N 5.602 126.862 121.223 0.061 0.000 2.401 296 L HA 0.643 4.983 4.340 -0.001 0.000 0.266 296 L C -2.309 174.647 176.870 0.143 0.000 0.991 296 L CA -2.490 52.407 54.840 0.095 0.000 0.818 296 L CB 2.762 44.856 42.059 0.059 0.000 1.321 296 L HN 0.486 nan 8.230 nan 0.000 0.413 297 P HA 0.232 nan 4.420 nan 0.000 0.272 297 P C -1.287 176.248 177.300 0.392 0.000 1.230 297 P CA 0.033 63.306 63.100 0.287 0.000 0.788 297 P CB 0.714 32.547 31.700 0.221 0.000 0.949 298 F N -1.914 118.110 119.950 0.123 0.000 2.686 298 F HA 0.843 5.370 4.527 -0.001 0.000 0.311 298 F C -0.426 175.413 175.800 0.066 0.000 1.128 298 F CA -0.731 57.336 58.000 0.111 0.000 0.946 298 F CB 1.465 40.462 39.000 -0.005 0.000 1.336 298 F HN 0.682 nan 8.300 nan 0.000 0.457 299 G N -0.513 108.149 108.800 -0.229 0.000 2.335 299 G HA2 0.498 4.457 3.960 -0.001 0.000 0.291 299 G HA3 0.498 4.457 3.960 -0.001 0.000 0.291 299 G C -1.775 172.885 174.900 -0.398 0.000 1.261 299 G CA -0.250 44.283 45.100 -0.945 0.000 0.871 299 G HN 1.906 nan 8.290 nan 0.000 0.491 300 c N -2.073 116.285 118.600 -0.403 0.000 3.321 300 c HA 0.970 5.540 4.570 -0.001 0.000 0.329 300 c C -0.445 173.649 174.090 0.007 0.000 1.394 300 c CA 0.120 56.353 56.329 -0.160 0.000 1.291 300 c CB 1.306 43.705 42.510 -0.185 0.000 1.606 300 c HN 1.778 nan 8.230 nan 0.000 0.463 301 T N 0.317 114.903 114.554 0.053 0.000 2.883 301 T HA 0.811 5.161 4.350 -0.001 0.000 0.301 301 T C -1.648 173.129 174.700 0.129 0.000 1.158 301 T CA -0.358 61.811 62.100 0.115 0.000 1.007 301 T CB 1.707 70.595 68.868 0.034 0.000 1.186 301 T HN 1.189 nan 8.240 nan 0.000 0.499 302 R N 2.396 122.998 120.500 0.169 0.000 2.658 302 R HA 0.516 4.856 4.340 -0.001 0.000 0.287 302 R C -0.565 175.802 176.300 0.111 0.000 1.209 302 R CA 0.437 56.615 56.100 0.131 0.000 1.046 302 R CB 0.648 31.026 30.300 0.130 0.000 1.247 302 R HN 1.470 nan 8.270 nan 0.000 0.405 303 A N 2.567 125.429 122.820 0.070 0.000 3.115 303 A HA -0.077 4.242 4.320 -0.001 0.000 0.263 303 A C 0.996 178.594 177.584 0.023 0.000 1.391 303 A CA 1.398 53.465 52.037 0.049 0.000 0.778 303 A CB -2.083 16.955 19.000 0.063 0.000 1.034 303 A HN 2.103 nan 8.150 nan 0.000 0.551 304 G N -3.439 105.368 108.800 0.011 0.000 2.234 304 G HA2 -0.032 3.927 3.960 -0.001 0.000 0.260 304 G HA3 -0.032 3.927 3.960 -0.001 0.000 0.260 304 G C 0.485 175.359 174.900 -0.044 0.000 0.987 304 G CA 0.514 45.608 45.100 -0.010 0.000 0.625 304 G HN 1.922 nan 8.290 nan 0.000 0.532 305 V N 1.350 121.225 119.914 -0.063 0.000 2.432 305 V HA 0.506 4.626 4.120 -0.001 0.000 0.275 305 V C 0.312 176.237 176.094 -0.282 0.000 1.043 305 V CA -0.432 61.747 62.300 -0.203 0.000 0.925 305 V CB 1.563 33.234 31.823 -0.253 0.000 0.985 305 V HN 0.379 nan 8.190 nan 0.000 0.466 306 E N 3.656 123.653 120.200 -0.338 0.000 2.175 306 E HA 0.449 4.799 4.350 -0.001 0.000 0.278 306 E C -1.657 174.692 176.600 -0.417 0.000 0.969 306 E CA -0.511 55.738 56.400 -0.253 0.000 0.796 306 E CB 1.631 31.263 29.700 -0.113 0.000 1.104 306 E HN 0.657 nan 8.360 nan 0.000 0.395 307 Y N 2.110 122.375 120.300 -0.059 0.000 2.478 307 Y HA 0.308 4.858 4.550 -0.001 0.000 0.329 307 Y C 0.793 176.618 175.900 -0.125 0.000 0.967 307 Y CA -0.670 57.418 58.100 -0.019 0.000 1.255 307 Y CB 0.869 39.348 38.460 0.032 0.000 1.103 307 Y HN 0.313 nan 8.280 nan 0.000 0.497 308 R N 2.258 122.835 120.500 0.129 0.000 2.565 308 R HA 0.247 4.586 4.340 -0.001 0.000 0.347 308 R C -1.017 175.499 176.300 0.361 0.000 1.010 308 R CA -0.274 55.892 56.100 0.110 0.000 1.126 308 R CB 0.787 31.123 30.300 0.060 0.000 1.331 308 R HN 0.473 nan 8.270 nan 0.000 0.552 309 L N 2.051 123.556 121.223 0.470 0.000 2.324 309 L HA 0.338 4.677 4.340 -0.001 0.000 0.274 309 L C -0.682 176.272 176.870 0.140 0.000 1.012 309 L CA -0.829 54.184 54.840 0.289 0.000 0.859 309 L CB 1.231 43.399 42.059 0.181 0.000 1.224 309 L HN -0.061 nan 8.230 nan 0.000 0.429 310 L N 3.934 125.077 121.223 -0.133 0.000 2.455 310 L HA 0.182 4.522 4.340 -0.001 0.000 0.272 310 L C 0.843 177.573 176.870 -0.233 0.000 1.174 310 L CA 1.022 55.474 54.840 -0.646 0.000 0.869 310 L CB 0.565 42.305 42.059 -0.532 0.000 1.130 310 L HN 0.676 nan 8.230 nan 0.000 0.474 311 Q N 4.454 124.097 119.800 -0.262 0.000 2.471 311 Q HA 0.524 4.864 4.340 -0.001 0.000 0.241 311 Q C -0.181 175.779 176.000 -0.067 0.000 0.886 311 Q CA 0.782 56.520 55.803 -0.108 0.000 0.953 311 Q CB 0.729 29.419 28.738 -0.081 0.000 1.108 311 Q HN 0.767 nan 8.270 nan 0.000 0.575 312 A N -0.209 122.552 122.820 -0.099 0.000 2.597 312 A HA 0.813 5.133 4.320 -0.001 0.000 0.292 312 A C -1.725 175.805 177.584 -0.090 0.000 1.057 312 A CA 0.049 52.055 52.037 -0.052 0.000 0.674 312 A CB 1.130 20.120 19.000 -0.016 0.000 1.278 312 A HN 0.122 nan 8.150 nan 0.000 0.416 313 A N -0.227 122.481 122.820 -0.188 0.000 2.610 313 A HA 0.859 5.178 4.320 -0.001 0.000 0.291 313 A C -1.769 175.415 177.584 -0.668 0.000 1.086 313 A CA -0.347 51.520 52.037 -0.283 0.000 0.677 313 A CB 1.133 20.023 19.000 -0.182 0.000 1.278 313 A HN 2.197 nan 8.150 nan 0.000 0.414 314 Y N 0.069 120.059 120.300 -0.517 0.000 2.376 314 Y HA 0.527 5.076 4.550 -0.001 0.000 0.321 314 Y C -1.701 174.211 175.900 0.020 0.000 1.189 314 Y CA -0.569 57.334 58.100 -0.329 0.000 1.069 314 Y CB 1.391 39.810 38.460 -0.068 0.000 1.292 314 Y HN 0.892 nan 8.280 nan 0.000 0.430 315 L N 5.702 126.791 121.223 -0.224 0.000 2.305 315 L HA 0.912 5.251 4.340 -0.001 0.000 0.281 315 L C -0.632 176.231 176.870 -0.013 0.000 1.085 315 L CA 0.405 55.127 54.840 -0.198 0.000 0.813 315 L CB 0.652 42.435 42.059 -0.460 0.000 1.157 315 L HN 0.773 nan 8.230 nan 0.000 0.436 316 A N 3.859 126.821 122.820 0.238 0.000 2.557 316 A HA 0.703 5.023 4.320 -0.001 0.000 0.292 316 A C -1.310 176.451 177.584 0.294 0.000 1.139 316 A CA -0.891 51.348 52.037 0.336 0.000 0.665 316 A CB 0.991 20.296 19.000 0.507 0.000 1.285 316 A HN 0.415 nan 8.150 nan 0.000 0.433 317 K N 0.651 121.202 120.400 0.252 0.000 2.168 317 K HA 0.368 4.688 4.320 -0.001 0.000 0.258 317 K C -1.798 174.967 176.600 0.276 0.000 1.010 317 K CA -1.948 54.456 56.287 0.195 0.000 0.929 317 K CB 0.575 33.147 32.500 0.119 0.000 0.998 317 K HN 0.409 nan 8.250 nan 0.000 0.479 318 P HA -0.058 nan 4.420 nan 0.000 0.218 318 P C 0.248 177.655 177.300 0.179 0.000 1.152 318 P CA 0.784 64.029 63.100 0.240 0.000 0.826 318 P CB 0.238 32.047 31.700 0.182 0.000 0.790 319 G N 0.636 109.485 108.800 0.082 0.000 2.758 319 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.686 319 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.686 319 G C 0.544 175.419 174.900 -0.040 0.000 1.389 319 G CA -0.192 44.907 45.100 -0.002 0.000 0.845 319 G HN 0.077 nan 8.290 nan 0.000 0.572 320 E N 0.264 120.395 120.200 -0.115 0.000 2.051 320 E HA -0.126 4.224 4.350 -0.001 0.000 0.192 320 E C 3.014 179.549 176.600 -0.108 0.000 0.991 320 E CA 2.080 58.407 56.400 -0.122 0.000 0.799 320 E CB -0.679 28.910 29.700 -0.184 0.000 0.748 320 E HN 1.038 nan 8.360 nan 0.000 0.449 321 A N 1.425 124.175 122.820 -0.117 0.000 1.865 321 A HA -0.168 4.151 4.320 -0.001 0.000 0.217 321 A C 2.437 179.933 177.584 -0.147 0.000 1.191 321 A CA 1.404 53.377 52.037 -0.106 0.000 0.623 321 A CB -0.849 18.110 19.000 -0.070 0.000 0.826 321 A HN 0.198 nan 8.150 nan 0.000 0.444 322 L N -0.963 120.174 121.223 -0.145 0.000 2.093 322 L HA -0.184 4.155 4.340 -0.001 0.000 0.208 322 L C 3.118 179.839 176.870 -0.249 0.000 1.085 322 L CA 0.968 55.626 54.840 -0.302 0.000 0.755 322 L CB -0.653 41.321 42.059 -0.142 0.000 0.904 322 L HN 0.475 nan 8.230 nan 0.000 0.435 323 A N -0.229 122.561 122.820 -0.050 0.000 1.908 323 A HA -0.277 4.043 4.320 -0.001 0.000 0.218 323 A C 2.207 179.784 177.584 -0.010 0.000 1.181 323 A CA 1.724 53.779 52.037 0.029 0.000 0.627 323 A CB -0.469 18.544 19.000 0.022 0.000 0.818 323 A HN 0.453 nan 8.150 nan 0.000 0.445 324 Q N -0.705 119.055 119.800 -0.067 0.000 2.020 324 Q HA -0.102 4.238 4.340 -0.001 0.000 0.202 324 Q C 2.461 178.408 176.000 -0.088 0.000 0.982 324 Q CA 1.638 57.403 55.803 -0.065 0.000 0.838 324 Q CB -0.437 28.256 28.738 -0.076 0.000 0.899 324 Q HN 0.676 nan 8.270 nan 0.000 0.423 325 A N 0.119 122.819 122.820 -0.201 0.000 1.940 325 A HA -0.168 4.152 4.320 -0.001 0.000 0.219 325 A C 1.474 178.956 177.584 -0.169 0.000 1.176 325 A CA 1.366 53.242 52.037 -0.269 0.000 0.631 325 A CB -0.486 18.225 19.000 -0.482 0.000 0.814 325 A HN 0.349 nan 8.150 nan 0.000 0.446 326 F N -1.193 118.741 119.950 -0.027 0.000 2.776 326 F HA 0.203 4.730 4.527 -0.001 0.000 0.300 326 F C 1.014 176.803 175.800 -0.017 0.000 1.116 326 F CA -0.293 57.690 58.000 -0.028 0.000 1.375 326 F CB -0.747 38.230 39.000 -0.037 0.000 1.109 326 F HN 0.347 nan 8.300 nan 0.000 0.585 327 N N 1.598 120.377 118.700 0.132 0.000 2.725 327 N HA -0.234 4.505 4.740 -0.001 0.000 0.251 327 N C -0.457 175.104 175.510 0.085 0.000 1.031 327 N CA 0.818 53.916 53.050 0.080 0.000 0.720 327 N CB -1.315 37.209 38.487 0.062 0.000 0.930 327 N HN 0.542 nan 8.380 nan 0.000 0.543 328 I N -3.929 116.702 120.570 0.102 0.000 3.067 328 I HA 0.626 4.796 4.170 -0.001 0.000 0.312 328 I C 0.675 176.826 176.117 0.056 0.000 1.073 328 I CA -1.087 60.261 61.300 0.079 0.000 1.016 328 I CB 1.808 39.866 38.000 0.096 0.000 1.227 328 I HN 0.086 nan 8.210 nan 0.000 0.456 329 S N 1.535 117.261 115.700 0.043 0.000 2.592 329 S HA 0.185 4.654 4.470 -0.001 0.000 0.271 329 S C 1.009 175.629 174.600 0.033 0.000 1.326 329 S CA -0.042 58.175 58.200 0.030 0.000 1.024 329 S CB 1.166 64.381 63.200 0.024 0.000 0.921 329 S HN 0.698 nan 8.310 nan 0.000 0.527 330 S N 1.587 117.298 115.700 0.018 0.000 2.400 330 S HA -0.113 4.356 4.470 -0.001 0.000 0.232 330 S C 1.126 175.742 174.600 0.027 0.000 1.025 330 S CA 1.551 59.760 58.200 0.016 0.000 0.993 330 S CB -0.456 62.740 63.200 -0.007 0.000 0.808 330 S HN 0.927 nan 8.310 nan 0.000 0.478 331 D N 0.752 121.167 120.400 0.025 0.000 2.358 331 D HA 0.096 4.736 4.640 -0.001 0.000 0.224 331 D C 0.091 176.413 176.300 0.037 0.000 1.123 331 D CA -0.060 53.957 54.000 0.030 0.000 0.833 331 D CB -0.327 40.485 40.800 0.021 0.000 0.946 331 D HN 0.320 nan 8.370 nan 0.000 0.505 332 E N 0.609 120.833 120.200 0.041 0.000 2.319 332 E HA 0.154 4.503 4.350 -0.001 0.000 0.268 332 E C -0.460 176.160 176.600 0.033 0.000 1.050 332 E CA -0.642 55.780 56.400 0.037 0.000 0.878 332 E CB 0.859 30.580 29.700 0.035 0.000 1.066 332 E HN 0.087 nan 8.360 nan 0.000 0.406 333 D N 1.028 121.433 120.400 0.009 0.000 2.341 333 D HA 0.217 4.856 4.640 -0.001 0.000 0.245 333 D C -0.769 175.490 176.300 -0.068 0.000 1.106 333 D CA -0.018 53.968 54.000 -0.023 0.000 0.905 333 D CB 1.391 42.152 40.800 -0.066 0.000 1.202 333 D HN -0.032 nan 8.370 nan 0.000 0.426 334 V N 2.337 122.212 119.914 -0.064 0.000 2.638 334 V HA 0.213 4.332 4.120 -0.001 0.000 0.306 334 V C -0.503 175.471 176.094 -0.201 0.000 1.052 334 V CA -0.956 61.243 62.300 -0.167 0.000 0.885 334 V CB 2.128 33.849 31.823 -0.171 0.000 0.999 334 V HN 0.313 nan 8.190 nan 0.000 0.424 335 L N 5.457 126.542 121.223 -0.230 0.000 2.260 335 L HA 0.616 4.956 4.340 -0.001 0.000 0.289 335 L C -0.931 175.947 176.870 0.014 0.000 1.057 335 L CA 0.477 55.246 54.840 -0.118 0.000 0.811 335 L CB 0.306 42.291 42.059 -0.123 0.000 1.184 335 L HN 0.446 nan 8.230 nan 0.000 0.429 336 F N 4.593 124.646 119.950 0.171 0.000 2.404 336 F HA 0.753 5.280 4.527 -0.001 0.000 0.339 336 F C 0.580 176.505 175.800 0.209 0.000 1.105 336 F CA -0.060 58.074 58.000 0.223 0.000 1.087 336 F CB 1.619 40.731 39.000 0.187 0.000 1.143 336 F HN 0.656 nan 8.300 nan 0.000 0.491 337 A N 3.754 126.836 122.820 0.436 0.000 2.515 337 A HA 0.792 5.111 4.320 -0.001 0.000 0.298 337 A C -1.492 176.236 177.584 0.240 0.000 1.059 337 A CA -0.656 51.563 52.037 0.303 0.000 0.698 337 A CB 1.286 20.540 19.000 0.423 0.000 1.289 337 A HN 0.513 nan 8.150 nan 0.000 0.404 338 I N 1.436 122.038 120.570 0.053 0.000 2.354 338 I HA 0.468 4.637 4.170 -0.001 0.000 0.292 338 I C -1.091 174.968 176.117 -0.097 0.000 0.989 338 I CA -0.259 61.066 61.300 0.042 0.000 1.188 338 I CB 0.564 38.571 38.000 0.012 0.000 1.342 338 I HN 0.533 nan 8.210 nan 0.000 0.457 339 F N 3.032 123.000 119.950 0.031 0.000 2.532 339 F HA 0.397 4.924 4.527 -0.001 0.000 0.321 339 F C 0.761 176.636 175.800 0.124 0.000 1.089 339 F CA -0.362 57.675 58.000 0.061 0.000 0.926 339 F CB 2.051 41.102 39.000 0.084 0.000 1.168 339 F HN 0.303 nan 8.300 nan 0.000 0.459 340 S N 1.787 117.671 115.700 0.307 0.000 2.632 340 S HA 0.267 4.736 4.470 -0.001 0.000 0.271 340 S C -0.322 174.474 174.600 0.328 0.000 1.260 340 S CA -0.891 57.473 58.200 0.274 0.000 1.010 340 S CB 1.116 64.390 63.200 0.123 0.000 0.965 340 S HN 0.506 nan 8.310 nan 0.000 0.534 341 K N 0.921 121.459 120.400 0.229 0.000 2.448 341 K HA 0.358 4.678 4.320 -0.001 0.000 0.278 341 K C 0.815 177.402 176.600 -0.021 0.000 1.009 341 K CA 0.834 57.106 56.287 -0.025 0.000 0.995 341 K CB -0.294 32.144 32.500 -0.105 0.000 0.917 341 K HN 0.853 nan 8.250 nan 0.000 0.481 342 G N 2.563 111.317 108.800 -0.077 0.000 2.693 342 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.226 342 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.226 342 G C -0.008 174.893 174.900 0.001 0.000 1.354 342 G CA 0.175 45.242 45.100 -0.055 0.000 0.873 342 G HN 0.702 nan 8.290 nan 0.000 0.562 343 Q N -0.452 119.318 119.800 -0.049 0.000 2.164 343 Q HA 0.191 4.530 4.340 -0.001 0.000 0.226 343 Q C 0.865 176.849 176.000 -0.027 0.000 0.813 343 Q CA 0.116 55.924 55.803 0.008 0.000 0.978 343 Q CB 1.047 29.821 28.738 0.060 0.000 1.149 343 Q HN 0.533 nan 8.270 nan 0.000 0.489 344 K N 0.846 121.169 120.400 -0.127 0.000 2.210 344 K HA 0.330 4.650 4.320 -0.001 0.000 0.236 344 K C -0.436 176.171 176.600 0.012 0.000 1.016 344 K CA -0.650 55.598 56.287 -0.065 0.000 0.913 344 K CB 0.863 33.263 32.500 -0.167 0.000 1.141 344 K HN -0.082 nan 8.250 nan 0.000 0.462 345 Q N 0.177 120.008 119.800 0.053 0.000 2.459 345 Q HA -0.255 4.084 4.340 -0.001 0.000 0.322 345 Q C -0.160 175.655 176.000 -0.309 0.000 1.427 345 Q CA 0.258 56.022 55.803 -0.064 0.000 0.861 345 Q CB -1.701 27.160 28.738 0.205 0.000 1.137 345 Q HN 0.614 nan 8.270 nan 0.000 0.394 346 Y N 0.387 120.257 120.300 -0.717 0.000 2.242 346 Y HA -0.199 4.351 4.550 -0.001 0.000 0.291 346 Y C 2.035 177.483 175.900 -0.753 0.000 1.137 346 Y CA 2.337 59.871 58.100 -0.942 0.000 1.181 346 Y CB 0.233 37.648 38.460 -1.741 0.000 0.989 346 Y HN 0.538 nan 8.280 nan 0.000 0.527 347 H N -1.433 117.296 119.070 -0.569 0.000 2.470 347 H HA 0.021 4.577 4.556 -0.001 0.000 0.289 347 H C 0.021 175.111 175.328 -0.396 0.000 1.033 347 H CA 1.415 57.160 56.048 -0.505 0.000 1.331 347 H CB -0.291 29.270 29.762 -0.336 0.000 1.414 347 H HN 0.567 nan 8.280 nan 0.000 0.545 348 H N -1.793 117.254 119.070 -0.037 0.000 2.379 348 H HA 0.417 4.973 4.556 -0.001 0.000 0.229 348 H C -2.994 172.301 175.328 -0.054 0.000 1.423 348 H CA -2.907 53.119 56.048 -0.037 0.000 1.375 348 H CB -0.074 29.694 29.762 0.010 0.000 1.592 348 H HN -0.025 nan 8.280 nan 0.000 0.507 349 P HA 0.086 nan 4.420 nan 0.000 0.268 349 P C -2.032 175.293 177.300 0.041 0.000 1.205 349 P CA -0.883 62.215 63.100 -0.003 0.000 0.771 349 P CB 0.737 32.397 31.700 -0.066 0.000 0.858 350 P HA 0.042 nan 4.420 nan 0.000 0.275 350 P C 0.018 177.346 177.300 0.047 0.000 1.270 350 P CA 0.049 63.176 63.100 0.044 0.000 0.791 350 P CB 0.788 32.512 31.700 0.040 0.000 1.089 351 D N -1.329 119.099 120.400 0.047 0.000 2.194 351 D HA -0.048 4.592 4.640 -0.001 0.000 0.204 351 D C -0.173 176.176 176.300 0.083 0.000 0.964 351 D CA 0.978 55.010 54.000 0.055 0.000 0.846 351 D CB -0.553 40.274 40.800 0.045 0.000 0.962 351 D HN 0.340 nan 8.370 nan 0.000 0.490 352 D N 1.033 121.491 120.400 0.097 0.000 2.479 352 D HA 0.059 4.699 4.640 -0.001 0.000 0.257 352 D C 0.272 176.738 176.300 0.277 0.000 1.230 352 D CA 0.507 54.609 54.000 0.169 0.000 0.912 352 D CB 0.244 41.123 40.800 0.132 0.000 1.130 352 D HN 0.032 nan 8.370 nan 0.000 0.515 353 S N 0.240 116.089 115.700 0.249 0.000 2.638 353 S HA 0.907 5.377 4.470 -0.001 0.000 0.274 353 S C -0.946 173.539 174.600 -0.191 0.000 1.157 353 S CA -1.099 57.198 58.200 0.163 0.000 0.826 353 S CB 2.265 65.531 63.200 0.111 0.000 1.139 353 S HN 0.485 nan 8.310 nan 0.000 0.474 354 A N 0.223 122.852 122.820 -0.318 0.000 2.539 354 A HA 0.798 5.117 4.320 -0.001 0.000 0.296 354 A C -1.594 175.948 177.584 -0.070 0.000 1.073 354 A CA -0.733 51.038 52.037 -0.444 0.000 0.700 354 A CB 1.463 19.784 19.000 -1.131 0.000 1.296 354 A HN 1.288 nan 8.150 nan 0.000 0.405 355 L N 1.133 122.370 121.223 0.022 0.000 2.282 355 L HA 0.785 5.125 4.340 -0.001 0.000 0.288 355 L C -0.863 176.080 176.870 0.122 0.000 1.033 355 L CA -0.071 54.848 54.840 0.132 0.000 0.807 355 L CB 0.810 42.968 42.059 0.165 0.000 1.209 355 L HN 0.703 nan 8.230 nan 0.000 0.423 356 c N 3.863 122.585 118.600 0.202 0.000 2.712 356 c HA 0.937 5.507 4.570 -0.001 0.000 0.308 356 c C -0.028 174.127 174.090 0.109 0.000 1.201 356 c CA -0.685 55.704 56.329 0.101 0.000 1.554 356 c CB 1.325 43.907 42.510 0.120 0.000 2.117 356 c HN 1.027 nan 8.230 nan 0.000 0.480 357 A N 1.642 124.380 122.820 -0.135 0.000 2.343 357 A HA 0.914 5.234 4.320 -0.001 0.000 0.316 357 A C -1.282 176.050 177.584 -0.420 0.000 1.104 357 A CA -0.275 51.636 52.037 -0.210 0.000 0.768 357 A CB 0.502 19.399 19.000 -0.173 0.000 1.213 357 A HN 0.732 nan 8.150 nan 0.000 0.456 358 F N 3.093 122.896 119.950 -0.245 0.000 2.496 358 F HA 0.416 4.942 4.527 -0.001 0.000 0.341 358 F C -2.309 173.191 175.800 -0.500 0.000 1.134 358 F CA -2.247 55.567 58.000 -0.311 0.000 0.968 358 F CB 2.231 41.185 39.000 -0.076 0.000 1.205 358 F HN 0.305 nan 8.300 nan 0.000 0.436 359 P HA 0.032 nan 4.420 nan 0.000 0.267 359 P C 0.980 178.130 177.300 -0.251 0.000 1.205 359 P CA -0.169 62.608 63.100 -0.539 0.000 0.765 359 P CB 0.804 32.069 31.700 -0.724 0.000 0.828 360 I N 2.647 123.104 120.570 -0.188 0.000 2.315 360 I HA -0.216 3.953 4.170 -0.001 0.000 0.251 360 I C 2.361 178.428 176.117 -0.083 0.000 1.125 360 I CA 1.480 62.692 61.300 -0.147 0.000 1.392 360 I CB -1.132 36.791 38.000 -0.129 0.000 1.065 360 I HN 0.548 nan 8.210 nan 0.000 0.424 361 R N 0.780 121.234 120.500 -0.077 0.000 2.081 361 R HA -0.144 4.196 4.340 -0.001 0.000 0.235 361 R C 2.242 178.517 176.300 -0.042 0.000 1.131 361 R CA 1.659 57.737 56.100 -0.036 0.000 0.960 361 R CB -0.030 30.257 30.300 -0.023 0.000 0.856 361 R HN 0.345 nan 8.270 nan 0.000 0.436 362 A N 0.776 123.548 122.820 -0.080 0.000 1.929 362 A HA -0.067 4.253 4.320 -0.001 0.000 0.216 362 A C 2.120 179.693 177.584 -0.018 0.000 1.176 362 A CA 0.853 52.860 52.037 -0.050 0.000 0.628 362 A CB -0.323 18.627 19.000 -0.083 0.000 0.816 362 A HN 0.284 nan 8.150 nan 0.000 0.444 363 I N 0.293 120.849 120.570 -0.023 0.000 2.127 363 I HA -0.301 3.868 4.170 -0.001 0.000 0.241 363 I C 2.137 178.242 176.117 -0.020 0.000 1.075 363 I CA 1.409 62.702 61.300 -0.011 0.000 1.334 363 I CB -0.476 37.499 38.000 -0.042 0.000 1.040 363 I HN 0.286 nan 8.210 nan 0.000 0.405 364 N N 0.689 119.372 118.700 -0.028 0.000 2.149 364 N HA -0.186 4.554 4.740 -0.001 0.000 0.188 364 N C 1.749 177.232 175.510 -0.044 0.000 1.019 364 N CA 1.178 54.188 53.050 -0.066 0.000 0.857 364 N CB -0.511 37.948 38.487 -0.046 0.000 0.997 364 N HN 0.217 nan 8.380 nan 0.000 0.426 365 L N 1.435 122.647 121.223 -0.018 0.000 2.056 365 L HA -0.102 4.237 4.340 -0.001 0.000 0.207 365 L C 2.236 179.104 176.870 -0.004 0.000 1.078 365 L CA 1.692 56.528 54.840 -0.006 0.000 0.749 365 L CB -0.844 41.215 42.059 0.001 0.000 0.901 365 L HN 0.189 nan 8.230 nan 0.000 0.433 366 Q N -0.830 118.970 119.800 0.001 0.000 2.230 366 Q HA -0.141 4.199 4.340 -0.001 0.000 0.202 366 Q C 2.188 178.192 176.000 0.008 0.000 0.963 366 Q CA 1.563 57.374 55.803 0.013 0.000 0.866 366 Q CB -0.091 28.666 28.738 0.031 0.000 0.931 366 Q HN 0.653 nan 8.270 nan 0.000 0.452 367 I N 0.443 121.005 120.570 -0.013 0.000 2.233 367 I HA -0.255 3.915 4.170 -0.001 0.000 0.243 367 I C 2.491 178.603 176.117 -0.009 0.000 1.093 367 I CA 1.148 62.434 61.300 -0.022 0.000 1.380 367 I CB -0.258 37.696 38.000 -0.078 0.000 1.067 367 I HN 0.200 nan 8.210 nan 0.000 0.413 368 K N 1.280 121.669 120.400 -0.020 0.000 2.074 368 K HA -0.248 4.071 4.320 -0.001 0.000 0.209 368 K C 1.911 178.501 176.600 -0.015 0.000 1.048 368 K CA 1.845 58.123 56.287 -0.014 0.000 0.926 368 K CB -0.036 32.457 32.500 -0.011 0.000 0.713 368 K HN 0.325 nan 8.250 nan 0.000 0.444 369 E N -0.285 119.912 120.200 -0.005 0.000 2.150 369 E HA -0.204 4.145 4.350 -0.001 0.000 0.193 369 E C 2.087 178.697 176.600 0.017 0.000 0.985 369 E CA 0.844 57.245 56.400 0.001 0.000 0.814 369 E CB 0.007 29.710 29.700 0.005 0.000 0.752 369 E HN 0.182 nan 8.360 nan 0.000 0.466 370 R N 1.215 121.732 120.500 0.027 0.000 2.073 370 R HA -0.115 4.224 4.340 -0.001 0.000 0.234 370 R C 2.076 178.415 176.300 0.065 0.000 1.134 370 R CA 1.201 57.328 56.100 0.046 0.000 0.952 370 R CB -0.555 29.774 30.300 0.049 0.000 0.850 370 R HN 0.120 nan 8.270 nan 0.000 0.433 371 L N 0.235 121.497 121.223 0.064 0.000 2.012 371 L HA -0.245 4.095 4.340 -0.001 0.000 0.210 371 L C 2.667 179.593 176.870 0.092 0.000 1.073 371 L CA 1.908 56.807 54.840 0.098 0.000 0.748 371 L CB -0.444 41.627 42.059 0.020 0.000 0.891 371 L HN 0.356 nan 8.230 nan 0.000 0.431 372 Q N -1.257 118.548 119.800 0.008 0.000 2.079 372 Q HA -0.201 4.138 4.340 -0.001 0.000 0.200 372 Q C 2.474 178.521 176.000 0.079 0.000 0.974 372 Q CA 1.718 57.523 55.803 0.003 0.000 0.840 372 Q CB -0.173 28.538 28.738 -0.044 0.000 0.898 372 Q HN 0.387 nan 8.270 nan 0.000 0.430 373 S N -0.198 115.544 115.700 0.070 0.000 2.368 373 S HA -0.209 4.261 4.470 -0.001 0.000 0.225 373 S C 2.075 176.744 174.600 0.115 0.000 1.030 373 S CA 1.294 59.550 58.200 0.094 0.000 0.999 373 S CB -0.534 62.704 63.200 0.064 0.000 0.844 373 S HN 0.616 nan 8.310 nan 0.000 0.459 374 c N 0.352 119.012 118.600 0.100 0.000 2.446 374 c HA 0.068 4.638 4.570 -0.001 0.000 0.277 374 c C 2.199 176.297 174.090 0.013 0.000 1.275 374 c CA 0.627 56.985 56.329 0.049 0.000 1.727 374 c CB -1.757 40.778 42.510 0.041 0.000 2.010 374 c HN 0.749 nan 8.230 nan 0.000 0.486 375 Y N -0.819 119.479 120.300 -0.003 0.000 2.616 375 Y HA -0.034 4.516 4.550 -0.001 0.000 0.296 375 Y C 2.232 178.157 175.900 0.043 0.000 1.154 375 Y CA 1.663 59.756 58.100 -0.012 0.000 1.325 375 Y CB -0.480 37.932 38.460 -0.080 0.000 1.007 375 Y HN 0.566 nan 8.280 nan 0.000 0.542 376 H N -0.739 118.374 119.070 0.071 0.000 2.539 376 H HA 0.210 4.766 4.556 -0.001 0.000 0.267 376 H C 1.701 177.030 175.328 0.002 0.000 0.982 376 H CA 0.450 56.517 56.048 0.031 0.000 1.146 376 H CB -0.067 29.708 29.762 0.022 0.000 1.382 376 H HN 0.248 nan 8.280 nan 0.000 0.577 377 G N 0.657 109.418 108.800 -0.064 0.000 2.132 377 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.234 377 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.234 377 G C -0.217 174.632 174.900 -0.085 0.000 0.989 377 G CA 0.110 45.137 45.100 -0.121 0.000 0.676 377 G HN 0.523 nan 8.290 nan 0.000 0.522 378 E N 0.410 120.597 120.200 -0.021 0.000 2.152 378 E HA 0.491 4.841 4.350 -0.001 0.000 0.285 378 E C 1.157 177.757 176.600 -0.001 0.000 1.043 378 E CA 0.322 56.725 56.400 0.005 0.000 0.839 378 E CB 1.002 30.738 29.700 0.060 0.000 1.069 378 E HN 1.332 nan 8.360 nan 0.000 0.399 379 G N 4.124 112.918 108.800 -0.010 0.000 2.539 379 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.256 379 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.256 379 G C -0.342 174.547 174.900 -0.019 0.000 1.233 379 G CA -0.472 44.624 45.100 -0.008 0.000 0.936 379 G HN 0.569 nan 8.290 nan 0.000 0.571 380 N N -0.641 118.053 118.700 -0.012 0.000 2.577 380 N HA 0.562 5.302 4.740 -0.001 0.000 0.285 380 N C 1.521 177.025 175.510 -0.011 0.000 1.309 380 N CA -0.488 52.550 53.050 -0.020 0.000 0.798 380 N CB 1.332 39.807 38.487 -0.019 0.000 1.463 380 N HN 0.391 nan 8.380 nan 0.000 0.518 381 L N 0.542 121.753 121.223 -0.020 0.000 2.201 381 L HA 0.008 4.348 4.340 -0.001 0.000 0.212 381 L C -0.085 176.792 176.870 0.011 0.000 1.105 381 L CA 0.849 55.684 54.840 -0.007 0.000 0.775 381 L CB -0.541 41.502 42.059 -0.027 0.000 0.913 381 L HN 0.590 nan 8.230 nan 0.000 0.440 382 E N 0.419 120.622 120.200 0.005 0.000 2.222 382 E HA -0.223 4.126 4.350 -0.001 0.000 0.189 382 E C -0.409 176.215 176.600 0.040 0.000 1.415 382 E CA 0.089 56.504 56.400 0.025 0.000 0.689 382 E CB -1.002 28.724 29.700 0.043 0.000 1.107 382 E HN 0.122 nan 8.360 nan 0.000 0.350 383 L N 1.281 122.501 121.223 -0.006 0.000 2.472 383 L HA 0.269 4.609 4.340 -0.001 0.000 0.256 383 L C 0.489 177.278 176.870 -0.134 0.000 1.560 383 L CA -0.292 54.523 54.840 -0.041 0.000 0.805 383 L CB 0.695 42.693 42.059 -0.101 0.000 1.017 383 L HN 0.036 nan 8.230 nan 0.000 0.519 384 N N 1.160 119.849 118.700 -0.017 0.000 2.094 384 N HA -0.248 4.492 4.740 -0.001 0.000 0.191 384 N C 1.620 177.108 175.510 -0.038 0.000 1.023 384 N CA 2.112 55.148 53.050 -0.024 0.000 0.857 384 N CB -0.260 38.245 38.487 0.030 0.000 1.013 384 N HN 0.822 nan 8.380 nan 0.000 0.426 385 W N 0.587 121.867 121.300 -0.034 0.000 2.374 385 W HA -0.061 4.599 4.660 -0.001 0.000 0.288 385 W C 1.209 177.676 176.519 -0.086 0.000 1.218 385 W CA 0.303 57.593 57.345 -0.092 0.000 1.245 385 W CB -0.736 28.714 29.460 -0.017 0.000 1.126 385 W HN 0.028 nan 8.180 nan 0.000 0.545 386 L N 0.892 121.560 121.223 -0.926 0.000 2.357 386 L HA 0.226 4.566 4.340 -0.001 0.000 0.211 386 L C 2.267 178.853 176.870 -0.472 0.000 1.075 386 L CA 1.214 55.454 54.840 -1.001 0.000 0.830 386 L CB -0.725 40.400 42.059 -1.557 0.000 0.996 386 L HN -0.088 nan 8.230 nan 0.000 0.467 387 L N -0.858 120.153 121.223 -0.355 0.000 2.298 387 L HA 0.301 4.641 4.340 -0.001 0.000 0.209 387 L C 1.652 178.434 176.870 -0.146 0.000 1.084 387 L CA 0.744 55.454 54.840 -0.217 0.000 0.816 387 L CB -0.490 41.464 42.059 -0.175 0.000 0.967 387 L HN 0.412 nan 8.230 nan 0.000 0.460 388 G N 1.312 110.035 108.800 -0.128 0.000 2.162 388 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.260 388 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.260 388 G C 0.169 175.027 174.900 -0.069 0.000 0.976 388 G CA 0.831 45.878 45.100 -0.088 0.000 0.655 388 G HN 0.542 nan 8.290 nan 0.000 0.533 389 K N -1.456 118.901 120.400 -0.071 0.000 2.736 389 K HA 0.417 4.736 4.320 -0.001 0.000 0.290 389 K C -1.937 174.630 176.600 -0.054 0.000 1.033 389 K CA -1.087 55.167 56.287 -0.055 0.000 0.852 389 K CB 0.332 32.801 32.500 -0.052 0.000 1.494 389 K HN -0.126 nan 8.250 nan 0.000 0.378 390 D N 1.311 121.686 120.400 -0.042 0.000 2.450 390 D HA 0.242 4.881 4.640 -0.001 0.000 0.247 390 D C -0.666 175.606 176.300 -0.045 0.000 1.162 390 D CA 0.108 54.085 54.000 -0.038 0.000 0.879 390 D CB 1.163 41.945 40.800 -0.029 0.000 1.163 390 D HN 0.339 nan 8.370 nan 0.000 0.472 391 V N 3.538 123.423 119.914 -0.049 0.000 2.531 391 V HA 0.164 4.284 4.120 -0.001 0.000 0.301 391 V C 0.292 176.354 176.094 -0.053 0.000 1.034 391 V CA -0.911 61.355 62.300 -0.055 0.000 0.865 391 V CB 1.783 33.567 31.823 -0.066 0.000 0.995 391 V HN 0.379 nan 8.190 nan 0.000 0.424 392 Q N 1.760 121.526 119.800 -0.056 0.000 2.364 392 Q HA 0.196 4.535 4.340 -0.001 0.000 0.267 392 Q C -0.221 175.733 176.000 -0.076 0.000 0.999 392 Q CA -0.194 55.574 55.803 -0.059 0.000 0.886 392 Q CB 0.930 29.633 28.738 -0.059 0.000 1.243 392 Q HN 0.800 nan 8.270 nan 0.000 0.415 393 c N 2.652 121.206 118.600 -0.076 0.000 2.653 393 c HA 0.101 4.671 4.570 -0.001 0.000 0.421 393 c C 0.604 174.615 174.090 -0.132 0.000 1.334 393 c CA -0.100 56.165 56.329 -0.107 0.000 1.885 393 c CB -0.130 42.332 42.510 -0.079 0.000 2.645 393 c HN 0.612 nan 8.230 nan 0.000 0.601 394 T N 4.375 118.812 114.554 -0.194 0.000 2.744 394 T HA 0.193 4.543 4.350 -0.001 0.000 0.291 394 T C -0.004 174.579 174.700 -0.196 0.000 0.957 394 T CA -0.276 61.715 62.100 -0.183 0.000 1.002 394 T CB 0.557 69.310 68.868 -0.192 0.000 0.919 394 T HN 0.635 nan 8.240 nan 0.000 0.468 395 K N 2.378 122.704 120.400 -0.123 0.000 2.368 395 K HA 0.549 4.869 4.320 -0.001 0.000 0.282 395 K C -0.703 175.882 176.600 -0.025 0.000 1.035 395 K CA -0.331 55.911 56.287 -0.075 0.000 0.973 395 K CB 0.282 32.721 32.500 -0.101 0.000 0.957 395 K HN 0.738 nan 8.250 nan 0.000 0.474 396 A N 5.028 127.887 122.820 0.066 0.000 2.589 396 A HA 0.423 4.742 4.320 -0.001 0.000 0.296 396 A C -2.714 174.964 177.584 0.158 0.000 1.062 396 A CA -1.265 50.840 52.037 0.114 0.000 0.686 396 A CB 1.458 20.544 19.000 0.144 0.000 1.282 396 A HN 0.601 nan 8.150 nan 0.000 0.404 397 P HA 0.346 nan 4.420 nan 0.000 0.230 397 P C -0.936 176.403 177.300 0.065 0.000 1.791 397 P CA 0.184 63.330 63.100 0.076 0.000 1.020 397 P CB -0.035 31.698 31.700 0.054 0.000 1.977 398 V N 3.793 123.738 119.914 0.052 0.000 2.483 398 V HA 0.350 4.470 4.120 -0.001 0.000 0.297 398 V C -2.206 173.786 176.094 -0.171 0.000 1.027 398 V CA -1.980 60.297 62.300 -0.039 0.000 0.855 398 V CB 2.043 33.829 31.823 -0.062 0.000 0.995 398 V HN 0.182 nan 8.190 nan 0.000 0.424 399 P HA 0.373 nan 4.420 nan 0.000 0.276 399 P C -0.885 176.269 177.300 -0.243 0.000 1.235 399 P CA -0.201 62.819 63.100 -0.133 0.000 0.772 399 P CB 0.474 32.146 31.700 -0.046 0.000 0.871 400 I N 4.094 124.477 120.570 -0.312 0.000 2.330 400 I HA 0.236 4.405 4.170 -0.001 0.000 0.289 400 I C 0.654 176.692 176.117 -0.132 0.000 1.001 400 I CA -0.590 60.468 61.300 -0.405 0.000 1.193 400 I CB 1.086 38.764 38.000 -0.536 0.000 1.345 400 I HN 0.454 nan 8.210 nan 0.000 0.461 401 D N 4.499 124.903 120.400 0.006 0.000 2.494 401 D HA 0.196 4.836 4.640 -0.001 0.000 0.259 401 D C 0.191 176.561 176.300 0.116 0.000 1.109 401 D CA -0.478 53.557 54.000 0.058 0.000 1.040 401 D CB 1.406 42.254 40.800 0.080 0.000 1.175 401 D HN 0.236 nan 8.370 nan 0.000 0.584 402 D N -0.559 119.909 120.400 0.114 0.000 2.190 402 D HA -0.148 4.492 4.640 -0.001 0.000 0.200 402 D C 0.376 176.855 176.300 0.298 0.000 0.992 402 D CA 1.333 55.430 54.000 0.161 0.000 0.854 402 D CB -0.279 40.604 40.800 0.139 0.000 0.936 402 D HN 0.418 nan 8.370 nan 0.000 0.462 403 N N -0.661 118.188 118.700 0.248 0.000 2.389 403 N HA 0.092 4.832 4.740 -0.001 0.000 0.260 403 N C -0.479 175.158 175.510 0.213 0.000 1.191 403 N CA -0.383 52.810 53.050 0.238 0.000 0.885 403 N CB 0.164 38.679 38.487 0.047 0.000 1.162 403 N HN -0.026 nan 8.380 nan 0.000 0.512 404 F N 0.477 120.498 119.950 0.119 0.000 2.608 404 F HA 0.000 4.527 4.527 -0.001 0.000 0.380 404 F C 0.622 176.489 175.800 0.112 0.000 1.083 404 F CA -0.236 57.801 58.000 0.062 0.000 1.266 404 F CB 0.498 39.499 39.000 0.001 0.000 1.076 404 F HN 0.148 nan 8.300 nan 0.000 0.574 405 c N 5.470 123.696 118.600 -0.623 0.000 2.863 405 c HA 0.578 5.148 4.570 -0.001 0.000 0.284 405 c C 0.620 174.398 174.090 -0.520 0.000 1.426 405 c CA 0.208 56.297 56.329 -0.400 0.000 1.782 405 c CB -1.547 40.834 42.510 -0.215 0.000 2.554 405 c HN 1.299 nan 8.230 nan 0.000 0.566 406 G N 0.965 109.060 108.800 -1.176 0.000 2.758 406 G HA2 -0.062 3.898 3.960 -0.001 0.000 0.686 406 G HA3 -0.062 3.898 3.960 -0.001 0.000 0.686 406 G C -1.104 173.670 174.900 -0.210 0.000 1.389 406 G CA -0.589 44.226 45.100 -0.474 0.000 0.845 406 G HN 0.331 nan 8.290 nan 0.000 0.572 407 L N -0.314 120.968 121.223 0.099 0.000 2.251 407 L HA 0.552 4.891 4.340 -0.001 0.000 0.244 407 L C 1.079 177.824 176.870 -0.207 0.000 1.095 407 L CA -0.404 54.478 54.840 0.070 0.000 0.910 407 L CB 1.553 43.734 42.059 0.204 0.000 1.516 407 L HN 0.801 nan 8.230 nan 0.000 0.429 408 D N -0.089 120.105 120.400 -0.343 0.000 2.363 408 D HA 0.025 4.665 4.640 -0.001 0.000 0.226 408 D C 0.385 176.528 176.300 -0.261 0.000 1.020 408 D CA 0.220 53.859 54.000 -0.602 0.000 0.892 408 D CB -0.343 40.210 40.800 -0.412 0.000 0.900 408 D HN 0.390 nan 8.370 nan 0.000 0.531 409 I N -4.069 116.430 120.570 -0.118 0.000 2.783 409 I HA 0.334 4.504 4.170 -0.001 0.000 0.312 409 I C -0.105 175.951 176.117 -0.101 0.000 0.988 409 I CA -0.983 60.253 61.300 -0.106 0.000 1.182 409 I CB 0.699 38.632 38.000 -0.112 0.000 1.368 409 I HN -0.325 nan 8.210 nan 0.000 0.511 410 N N 1.702 120.308 118.700 -0.157 0.000 2.721 410 N HA -0.244 4.496 4.740 -0.001 0.000 0.249 410 N C -0.889 174.620 175.510 -0.002 0.000 1.072 410 N CA 1.390 54.355 53.050 -0.142 0.000 0.710 410 N CB -1.201 37.074 38.487 -0.353 0.000 0.993 410 N HN 0.871 nan 8.380 nan 0.000 0.547 411 Q N -2.059 117.739 119.800 -0.004 0.000 2.482 411 Q HA 0.711 5.051 4.340 -0.001 0.000 0.286 411 Q C -3.037 172.963 176.000 -0.000 0.000 1.007 411 Q CA -1.339 54.495 55.803 0.052 0.000 0.801 411 Q CB 1.006 29.811 28.738 0.112 0.000 1.455 411 Q HN -0.102 nan 8.270 nan 0.000 0.398 412 P HA 0.207 nan 4.420 nan 0.000 0.272 412 P C -1.233 176.120 177.300 0.089 0.000 1.223 412 P CA -0.434 62.700 63.100 0.056 0.000 0.784 412 P CB 0.616 32.202 31.700 -0.190 0.000 0.923 413 L N 1.646 122.990 121.223 0.203 0.000 2.307 413 L HA 0.693 5.033 4.340 -0.001 0.000 0.284 413 L C 0.341 177.307 176.870 0.161 0.000 1.023 413 L CA -0.002 54.925 54.840 0.145 0.000 0.810 413 L CB 1.276 43.425 42.059 0.149 0.000 1.231 413 L HN 0.639 nan 8.230 nan 0.000 0.423 414 G N 2.125 110.992 108.800 0.111 0.000 3.135 414 G HA2 0.814 4.774 3.960 -0.001 0.000 0.159 414 G HA3 0.814 4.774 3.960 -0.001 0.000 0.159 414 G C -0.630 174.331 174.900 0.101 0.000 1.244 414 G CA -0.485 44.691 45.100 0.126 0.000 0.965 414 G HN 1.154 nan 8.290 nan 0.000 0.599 415 G N -2.286 106.577 108.800 0.104 0.000 2.386 415 G HA2 0.405 4.365 3.960 -0.001 0.000 0.302 415 G HA3 0.405 4.365 3.960 -0.001 0.000 0.302 415 G C -0.042 174.918 174.900 0.100 0.000 1.629 415 G CA 0.550 45.704 45.100 0.089 0.000 0.917 415 G HN 0.735 nan 8.290 nan 0.000 0.676 416 S N -0.577 115.174 115.700 0.085 0.000 2.483 416 S HA 0.164 4.634 4.470 -0.001 0.000 0.221 416 S C 1.270 175.923 174.600 0.089 0.000 1.030 416 S CA 0.721 58.973 58.200 0.087 0.000 0.925 416 S CB 0.295 63.535 63.200 0.067 0.000 0.795 416 S HN 0.735 nan 8.310 nan 0.000 0.511 417 T N 4.862 119.465 114.554 0.082 0.000 2.761 417 T HA 0.318 4.668 4.350 -0.001 0.000 0.296 417 T C -2.595 172.166 174.700 0.101 0.000 0.934 417 T CA -1.064 61.085 62.100 0.081 0.000 1.091 417 T CB 1.003 69.911 68.868 0.067 0.000 0.896 417 T HN 0.061 nan 8.240 nan 0.000 0.515 418 P HA 0.197 nan 4.420 nan 0.000 0.271 418 P C -0.635 176.760 177.300 0.157 0.000 1.218 418 P CA -0.538 62.650 63.100 0.147 0.000 0.780 418 P CB 0.457 32.233 31.700 0.128 0.000 0.901 419 V N 3.601 123.646 119.914 0.218 0.000 2.455 419 V HA 0.085 4.205 4.120 -0.001 0.000 0.273 419 V C 0.677 176.988 176.094 0.360 0.000 1.045 419 V CA -0.038 62.416 62.300 0.256 0.000 0.976 419 V CB 0.005 31.984 31.823 0.260 0.000 0.993 419 V HN 0.460 nan 8.190 nan 0.000 0.475 420 E N 3.585 123.923 120.200 0.229 0.000 2.227 420 E HA 0.481 4.831 4.350 -0.001 0.000 0.282 420 E C 0.388 176.974 176.600 -0.024 0.000 1.015 420 E CA -0.060 56.418 56.400 0.130 0.000 0.823 420 E CB 2.136 31.862 29.700 0.043 0.000 1.081 420 E HN 0.769 nan 8.360 nan 0.000 0.396 421 G N 1.261 109.826 108.800 -0.392 0.000 2.488 421 G HA2 0.405 4.365 3.960 -0.001 0.000 0.318 421 G HA3 0.405 4.365 3.960 -0.001 0.000 0.318 421 G C -0.866 173.763 174.900 -0.453 0.000 1.188 421 G CA -0.630 43.815 45.100 -1.093 0.000 0.944 421 G HN 0.345 nan 8.290 nan 0.000 0.495 422 L N 0.889 121.928 121.223 -0.307 0.000 2.283 422 L HA 0.395 4.734 4.340 -0.001 0.000 0.287 422 L C 0.667 177.476 176.870 -0.101 0.000 1.073 422 L CA -0.225 54.568 54.840 -0.079 0.000 0.822 422 L CB 0.411 42.535 42.059 0.108 0.000 1.186 422 L HN 0.378 nan 8.230 nan 0.000 0.436 423 T N 6.775 121.277 114.554 -0.088 0.000 2.853 423 T HA 0.175 4.525 4.350 -0.001 0.000 0.298 423 T C 1.417 176.084 174.700 -0.054 0.000 0.978 423 T CA 0.130 62.184 62.100 -0.077 0.000 1.152 423 T CB 0.477 69.302 68.868 -0.071 0.000 0.914 423 T HN 0.584 nan 8.240 nan 0.000 0.539 424 L N 2.150 123.365 121.223 -0.013 0.000 2.467 424 L HA 0.393 4.732 4.340 -0.001 0.000 0.213 424 L C 0.046 176.944 176.870 0.047 0.000 1.053 424 L CA 0.112 54.966 54.840 0.023 0.000 0.847 424 L CB 0.295 42.416 42.059 0.104 0.000 1.075 424 L HN 0.611 nan 8.230 nan 0.000 0.479 425 Y N 0.561 120.790 120.300 -0.119 0.000 2.480 425 Y HA 0.418 4.967 4.550 -0.001 0.000 0.329 425 Y C -0.793 175.017 175.900 -0.150 0.000 1.127 425 Y CA -1.134 56.889 58.100 -0.129 0.000 1.037 425 Y CB 1.645 40.056 38.460 -0.083 0.000 1.320 425 Y HN -0.021 nan 8.280 nan 0.000 0.446 426 T N 1.332 115.429 114.554 -0.761 0.000 2.907 426 T HA 0.763 5.112 4.350 -0.001 0.000 0.292 426 T C -0.837 173.470 174.700 -0.656 0.000 1.043 426 T CA -0.818 60.953 62.100 -0.549 0.000 1.003 426 T CB 1.975 70.675 68.868 -0.281 0.000 1.084 426 T HN 0.738 nan 8.240 nan 0.000 0.483 427 T N -0.492 113.904 114.554 -0.264 0.000 2.883 427 T HA 0.604 4.953 4.350 -0.001 0.000 0.301 427 T C 0.267 174.969 174.700 0.003 0.000 1.158 427 T CA -0.075 61.953 62.100 -0.121 0.000 1.007 427 T CB 1.551 70.425 68.868 0.010 0.000 1.186 427 T HN 1.013 nan 8.240 nan 0.000 0.499 428 S N 1.895 117.606 115.700 0.017 0.000 2.780 428 S HA 0.323 4.792 4.470 -0.001 0.000 0.248 428 S C 1.136 175.759 174.600 0.038 0.000 1.036 428 S CA -0.702 57.523 58.200 0.041 0.000 1.061 428 S CB 0.252 63.472 63.200 0.034 0.000 1.037 428 S HN 0.576 nan 8.310 nan 0.000 0.584 429 R N 1.574 122.098 120.500 0.039 0.000 2.049 429 R HA 0.330 4.669 4.340 -0.001 0.000 0.202 429 R C -0.498 175.828 176.300 0.044 0.000 1.306 429 R CA 0.469 56.592 56.100 0.039 0.000 1.107 429 R CB -0.960 29.364 30.300 0.040 0.000 0.996 429 R HN 0.387 nan 8.270 nan 0.000 0.469 430 D N 1.524 121.957 120.400 0.055 0.000 2.440 430 D HA 0.139 4.778 4.640 -0.001 0.000 0.239 430 D C -0.634 175.703 176.300 0.061 0.000 1.084 430 D CA -0.456 53.576 54.000 0.054 0.000 0.843 430 D CB 0.955 41.788 40.800 0.054 0.000 1.097 430 D HN -0.118 nan 8.370 nan 0.000 0.531 431 R N 3.762 124.292 120.500 0.050 0.000 2.538 431 R HA 0.123 4.463 4.340 -0.001 0.000 0.282 431 R C -0.067 176.264 176.300 0.051 0.000 1.009 431 R CA -0.106 56.025 56.100 0.051 0.000 1.063 431 R CB 0.356 30.677 30.300 0.034 0.000 0.945 431 R HN 0.488 nan 8.270 nan 0.000 0.414 432 L N 4.481 125.740 121.223 0.060 0.000 2.367 432 L HA 0.161 4.500 4.340 -0.001 0.000 0.275 432 L C 1.472 178.361 176.870 0.031 0.000 1.129 432 L CA -0.132 54.740 54.840 0.054 0.000 0.839 432 L CB 1.300 43.404 42.059 0.074 0.000 1.133 432 L HN 0.854 nan 8.230 nan 0.000 0.453 433 T N -3.081 111.488 114.554 0.025 0.000 2.958 433 T HA 0.179 4.529 4.350 -0.001 0.000 0.256 433 T C 0.474 175.183 174.700 0.015 0.000 0.983 433 T CA 0.274 62.380 62.100 0.011 0.000 0.924 433 T CB 0.438 69.313 68.868 0.012 0.000 1.136 433 T HN 0.625 nan 8.240 nan 0.000 0.506 434 S N -0.245 115.467 115.700 0.020 0.000 2.625 434 S HA 0.797 5.267 4.470 -0.001 0.000 0.271 434 S C -1.694 172.909 174.600 0.005 0.000 1.161 434 S CA -0.602 57.609 58.200 0.019 0.000 0.820 434 S CB 2.082 65.299 63.200 0.029 0.000 1.137 434 S HN 0.731 nan 8.310 nan 0.000 0.470 435 V N -0.095 119.813 119.914 -0.009 0.000 2.924 435 V HA 0.862 4.982 4.120 -0.001 0.000 0.300 435 V C -1.031 174.959 176.094 -0.172 0.000 1.227 435 V CA 0.311 62.586 62.300 -0.043 0.000 0.954 435 V CB 1.409 33.245 31.823 0.021 0.000 1.055 435 V HN 1.948 nan 8.190 nan 0.000 0.429 436 A N 4.102 126.730 122.820 -0.320 0.000 2.566 436 A HA 1.003 5.323 4.320 -0.001 0.000 0.292 436 A C -0.756 176.601 177.584 -0.379 0.000 1.112 436 A CA -0.090 51.424 52.037 -0.872 0.000 0.707 436 A CB 2.260 20.786 19.000 -0.791 0.000 1.302 436 A HN 1.613 nan 8.150 nan 0.000 0.409 437 S N -0.822 114.688 115.700 -0.316 0.000 2.543 437 S HA 0.755 5.225 4.470 -0.001 0.000 0.274 437 S C -1.387 173.438 174.600 0.374 0.000 1.149 437 S CA -0.209 58.026 58.200 0.058 0.000 0.866 437 S CB 1.076 63.964 63.200 -0.521 0.000 1.111 437 S HN 1.838 nan 8.310 nan 0.000 0.457 438 Y N 0.422 120.772 120.300 0.082 0.000 2.840 438 Y HA 0.847 5.397 4.550 -0.001 0.000 0.324 438 Y C -1.920 174.001 175.900 0.035 0.000 1.378 438 Y CA -1.268 56.823 58.100 -0.014 0.000 1.077 438 Y CB 0.794 39.044 38.460 -0.348 0.000 1.361 438 Y HN 0.384 nan 8.280 nan 0.000 0.459 439 V N 2.085 121.779 119.914 -0.367 0.000 2.448 439 V HA 0.318 4.437 4.120 -0.001 0.000 0.295 439 V C -1.571 174.228 176.094 -0.492 0.000 1.025 439 V CA -0.604 61.477 62.300 -0.364 0.000 0.859 439 V CB 1.192 32.947 31.823 -0.112 0.000 0.988 439 V HN 0.710 nan 8.190 nan 0.000 0.431 440 Y N 4.917 124.888 120.300 -0.548 0.000 2.326 440 Y HA 0.442 4.992 4.550 -0.001 0.000 0.331 440 Y C 0.725 176.560 175.900 -0.109 0.000 0.962 440 Y CA -0.578 57.333 58.100 -0.316 0.000 1.167 440 Y CB 1.039 39.288 38.460 -0.351 0.000 1.148 440 Y HN 0.804 nan 8.280 nan 0.000 0.463 441 N N 4.199 122.619 118.700 -0.466 0.000 2.721 441 N HA -0.211 4.529 4.740 -0.001 0.000 0.249 441 N C 0.744 176.145 175.510 -0.181 0.000 1.072 441 N CA 1.865 54.747 53.050 -0.279 0.000 0.710 441 N CB -1.154 37.233 38.487 -0.168 0.000 0.993 441 N HN 1.452 nan 8.380 nan 0.000 0.547 442 G N -2.693 105.982 108.800 -0.208 0.000 2.179 442 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.260 442 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.260 442 G C -0.146 174.541 174.900 -0.354 0.000 0.977 442 G CA 0.500 45.434 45.100 -0.277 0.000 0.641 442 G HN 0.486 nan 8.290 nan 0.000 0.533 443 Y N 1.028 121.254 120.300 -0.122 0.000 2.342 443 Y HA 0.641 5.191 4.550 -0.001 0.000 0.334 443 Y C 0.809 176.618 175.900 -0.151 0.000 1.067 443 Y CA -0.322 57.704 58.100 -0.123 0.000 1.128 443 Y CB 1.963 40.337 38.460 -0.143 0.000 1.200 443 Y HN 0.116 nan 8.280 nan 0.000 0.464 444 S N 2.961 118.694 115.700 0.054 0.000 2.439 444 S HA 0.443 4.913 4.470 -0.001 0.000 0.282 444 S C -0.869 173.694 174.600 -0.062 0.000 1.170 444 S CA -0.580 57.616 58.200 -0.006 0.000 1.054 444 S CB -0.265 62.991 63.200 0.094 0.000 0.956 444 S HN 0.446 nan 8.310 nan 0.000 0.490 445 V N 6.903 126.725 119.914 -0.154 0.000 2.347 445 V HA 0.401 4.521 4.120 -0.001 0.000 0.280 445 V C -0.322 175.596 176.094 -0.293 0.000 1.021 445 V CA -0.622 61.561 62.300 -0.195 0.000 0.847 445 V CB 1.472 33.212 31.823 -0.137 0.000 0.990 445 V HN 0.748 nan 8.190 nan 0.000 0.444 446 V N 5.951 125.633 119.914 -0.386 0.000 2.384 446 V HA 0.487 4.607 4.120 -0.001 0.000 0.287 446 V C -0.467 175.341 176.094 -0.477 0.000 1.020 446 V CA -0.548 61.520 62.300 -0.386 0.000 0.850 446 V CB 1.207 32.844 31.823 -0.310 0.000 0.987 446 V HN 0.637 nan 8.190 nan 0.000 0.436 447 F N 3.727 123.600 119.950 -0.128 0.000 2.411 447 F HA 0.590 5.116 4.527 -0.001 0.000 0.350 447 F C 0.188 175.885 175.800 -0.171 0.000 1.114 447 F CA -0.675 57.232 58.000 -0.155 0.000 1.135 447 F CB 1.549 40.451 39.000 -0.164 0.000 1.120 447 F HN 0.176 nan 8.300 nan 0.000 0.495 448 V N 3.277 123.177 119.914 -0.024 0.000 2.376 448 V HA 0.557 4.677 4.120 -0.001 0.000 0.287 448 V C 0.427 176.510 176.094 -0.018 0.000 1.015 448 V CA -0.925 61.352 62.300 -0.038 0.000 0.834 448 V CB 1.245 33.019 31.823 -0.082 0.000 1.001 448 V HN 0.922 nan 8.190 nan 0.000 0.428 449 G N 3.164 111.968 108.800 0.006 0.000 2.539 449 G HA2 0.586 4.546 3.960 -0.001 0.000 0.258 449 G HA3 0.586 4.546 3.960 -0.001 0.000 0.258 449 G C 0.109 175.031 174.900 0.036 0.000 1.202 449 G CA 0.293 45.409 45.100 0.027 0.000 0.851 449 G HN 0.795 nan 8.290 nan 0.000 0.556 450 T N -2.336 112.249 114.554 0.053 0.000 2.907 450 T HA 0.402 4.751 4.350 -0.001 0.000 0.290 450 T C 1.198 175.934 174.700 0.059 0.000 1.066 450 T CA -0.530 61.601 62.100 0.052 0.000 1.012 450 T CB 1.988 70.885 68.868 0.049 0.000 1.184 450 T HN 0.582 nan 8.240 nan 0.000 0.522 451 K N 0.251 120.678 120.400 0.043 0.000 2.283 451 K HA -0.055 4.265 4.320 -0.001 0.000 0.202 451 K C 1.455 178.080 176.600 0.042 0.000 1.048 451 K CA 1.652 57.958 56.287 0.032 0.000 0.948 451 K CB -0.313 32.198 32.500 0.018 0.000 0.742 451 K HN 0.603 nan 8.250 nan 0.000 0.458 452 S N -0.869 114.864 115.700 0.056 0.000 2.582 452 S HA 0.282 4.752 4.470 -0.001 0.000 0.234 452 S C 0.935 175.596 174.600 0.102 0.000 0.961 452 S CA -0.018 58.220 58.200 0.063 0.000 0.953 452 S CB 0.426 63.655 63.200 0.049 0.000 0.800 452 S HN 0.542 nan 8.310 nan 0.000 0.471 453 G N 0.610 109.498 108.800 0.146 0.000 2.137 453 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.237 453 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.237 453 G C -0.148 174.832 174.900 0.133 0.000 1.002 453 G CA -0.004 45.254 45.100 0.265 0.000 0.702 453 G HN 0.538 nan 8.290 nan 0.000 0.515 454 K N -0.722 119.723 120.400 0.075 0.000 2.098 454 K HA 0.800 5.120 4.320 -0.001 0.000 0.261 454 K C -0.154 176.448 176.600 0.002 0.000 0.987 454 K CA -0.855 55.445 56.287 0.022 0.000 0.916 454 K CB 1.465 33.977 32.500 0.020 0.000 1.039 454 K HN 0.267 nan 8.250 nan 0.000 0.455 455 L N 2.122 123.325 121.223 -0.032 0.000 2.343 455 L HA 0.389 4.728 4.340 -0.001 0.000 0.278 455 L C -1.119 175.717 176.870 -0.057 0.000 0.996 455 L CA -0.181 54.637 54.840 -0.037 0.000 0.831 455 L CB 1.000 43.021 42.059 -0.063 0.000 1.232 455 L HN 0.439 nan 8.230 nan 0.000 0.413 456 K N 4.471 124.816 120.400 -0.091 0.000 2.174 456 K HA 0.432 4.752 4.320 -0.001 0.000 0.275 456 K C -0.764 175.674 176.600 -0.268 0.000 1.015 456 K CA -0.493 55.675 56.287 -0.198 0.000 0.933 456 K CB 1.122 33.457 32.500 -0.274 0.000 1.025 456 K HN 0.440 nan 8.250 nan 0.000 0.463 457 K N 3.271 123.405 120.400 -0.443 0.000 2.367 457 K HA 0.381 4.701 4.320 -0.001 0.000 0.263 457 K C -0.700 175.418 176.600 -0.804 0.000 1.000 457 K CA -0.286 55.585 56.287 -0.693 0.000 0.891 457 K CB 0.919 32.911 32.500 -0.847 0.000 1.117 457 K HN 0.377 nan 8.250 nan 0.000 0.443 458 I N 2.656 122.929 120.570 -0.495 0.000 2.406 458 I HA 0.298 4.468 4.170 -0.001 0.000 0.290 458 I C -0.066 176.020 176.117 -0.051 0.000 0.999 458 I CA -0.823 60.312 61.300 -0.275 0.000 1.124 458 I CB 1.654 39.457 38.000 -0.328 0.000 1.289 458 I HN 0.415 nan 8.210 nan 0.000 0.441 459 R N 5.810 126.378 120.500 0.113 0.000 2.221 459 R HA 0.668 5.008 4.340 -0.001 0.000 0.327 459 R C -0.556 175.770 176.300 0.044 0.000 1.033 459 R CA -0.379 55.763 56.100 0.070 0.000 0.887 459 R CB 1.017 31.321 30.300 0.007 0.000 1.057 459 R HN 0.744 nan 8.270 nan 0.000 0.455 460 A N 4.332 127.182 122.820 0.049 0.000 2.331 460 A HA 0.392 4.712 4.320 -0.001 0.000 0.283 460 A C -1.015 176.602 177.584 0.056 0.000 1.142 460 A CA -0.442 51.636 52.037 0.068 0.000 0.812 460 A CB 0.563 19.640 19.000 0.128 0.000 1.074 460 A HN 0.911 nan 8.150 nan 0.000 0.497 461 D N 0.150 120.564 120.400 0.023 0.000 2.639 461 D HA 0.548 5.188 4.640 -0.001 0.000 0.271 461 D C 0.242 176.506 176.300 -0.060 0.000 1.254 461 D CA 0.071 54.061 54.000 -0.018 0.000 0.810 461 D CB 0.341 41.144 40.800 0.005 0.000 1.351 461 D HN 0.632 nan 8.370 nan 0.000 0.427 462 G N -1.102 107.634 108.800 -0.107 0.000 2.516 462 G HA2 0.503 4.463 3.960 -0.001 0.000 0.276 462 G HA3 0.503 4.463 3.960 -0.001 0.000 0.276 462 G C -2.299 172.562 174.900 -0.066 0.000 1.390 462 G CA -1.191 43.828 45.100 -0.136 0.000 1.050 462 G HN 0.438 nan 8.290 nan 0.000 0.519 463 P HA 0.183 nan 4.420 nan 0.000 0.266 463 P C -2.307 174.991 177.300 -0.003 0.000 1.193 463 P CA -0.359 62.736 63.100 -0.008 0.000 0.770 463 P CB 0.031 31.726 31.700 -0.009 0.000 0.836 464 P HA 0.282 nan 4.420 nan 0.000 0.292 464 P C -0.682 176.697 177.300 0.133 0.000 1.326 464 P CA -0.235 62.904 63.100 0.064 0.000 0.787 464 P CB 0.318 32.045 31.700 0.045 0.000 0.903 465 H N 0.435 119.503 119.070 -0.004 0.000 2.839 465 H HA -0.112 4.444 4.556 -0.001 0.000 0.298 465 H C 0.467 175.808 175.328 0.020 0.000 1.224 465 H CA 1.299 57.351 56.048 0.006 0.000 1.144 465 H CB -1.301 28.464 29.762 0.005 0.000 1.372 465 H HN 0.647 nan 8.280 nan 0.000 0.408 466 G N -0.956 107.842 108.800 -0.004 0.000 2.441 466 G HA2 0.606 4.566 3.960 -0.001 0.000 0.334 466 G HA3 0.606 4.566 3.960 -0.001 0.000 0.334 466 G C 0.626 175.508 174.900 -0.030 0.000 1.161 466 G CA -0.234 44.862 45.100 -0.006 0.000 0.935 466 G HN 0.467 nan 8.290 nan 0.000 0.488 467 G N -1.596 107.212 108.800 0.014 0.000 2.525 467 G HA2 0.514 4.474 3.960 -0.001 0.000 0.287 467 G HA3 0.514 4.474 3.960 -0.001 0.000 0.287 467 G C -1.015 173.925 174.900 0.067 0.000 1.350 467 G CA -0.390 44.734 45.100 0.040 0.000 1.039 467 G HN 0.832 nan 8.290 nan 0.000 0.513 468 V N -0.114 119.839 119.914 0.064 0.000 2.638 468 V HA 0.329 4.449 4.120 -0.001 0.000 0.306 468 V C -0.168 175.951 176.094 0.042 0.000 1.052 468 V CA -0.687 61.665 62.300 0.087 0.000 0.885 468 V CB 1.595 33.470 31.823 0.086 0.000 0.999 468 V HN 0.825 nan 8.190 nan 0.000 0.424 469 Q N 3.156 122.957 119.800 0.001 0.000 2.296 469 Q HA 0.167 4.507 4.340 -0.001 0.000 0.263 469 Q C 0.060 176.040 176.000 -0.033 0.000 1.026 469 Q CA -0.171 55.545 55.803 -0.145 0.000 0.912 469 Q CB 0.590 29.220 28.738 -0.179 0.000 1.198 469 Q HN 0.907 nan 8.270 nan 0.000 0.407 470 Y N 2.139 122.398 120.300 -0.068 0.000 2.481 470 Y HA 0.460 5.010 4.550 -0.001 0.000 0.258 470 Y C -0.159 175.745 175.900 0.007 0.000 1.103 470 Y CA -0.487 57.593 58.100 -0.032 0.000 1.287 470 Y CB 0.661 39.088 38.460 -0.055 0.000 1.108 470 Y HN 0.575 nan 8.280 nan 0.000 0.529 471 E N 0.715 120.658 120.200 -0.428 0.000 2.363 471 E HA 0.421 4.771 4.350 -0.001 0.000 0.281 471 E C -1.951 174.507 176.600 -0.237 0.000 0.953 471 E CA -0.811 55.455 56.400 -0.224 0.000 0.778 471 E CB 2.015 31.642 29.700 -0.122 0.000 1.220 471 E HN 0.231 nan 8.360 nan 0.000 0.431 472 M N 4.021 123.556 119.600 -0.108 0.000 2.326 472 M HA 0.481 4.961 4.480 -0.001 0.000 0.306 472 M C -1.846 174.430 176.300 -0.040 0.000 1.054 472 M CA -0.827 54.421 55.300 -0.085 0.000 0.922 472 M CB 1.874 34.441 32.600 -0.056 0.000 1.632 472 M HN 0.355 nan 8.290 nan 0.000 0.436 473 V N 2.592 122.486 119.914 -0.034 0.000 2.628 473 V HA 0.429 4.548 4.120 -0.001 0.000 0.306 473 V C -0.225 175.864 176.094 -0.008 0.000 1.045 473 V CA -0.672 61.625 62.300 -0.004 0.000 0.905 473 V CB 2.248 34.073 31.823 0.004 0.000 0.997 473 V HN 0.887 nan 8.190 nan 0.000 0.436 474 S N 2.675 118.381 115.700 0.010 0.000 2.439 474 S HA 0.297 4.767 4.470 -0.001 0.000 0.282 474 S C 0.748 175.336 174.600 -0.021 0.000 1.170 474 S CA -0.454 57.743 58.200 -0.005 0.000 1.054 474 S CB 1.310 64.511 63.200 0.002 0.000 0.956 474 S HN 0.513 nan 8.310 nan 0.000 0.490 475 V N 3.370 123.196 119.914 -0.147 0.000 2.581 475 V HA 0.228 4.347 4.120 -0.001 0.000 0.240 475 V C -0.209 175.576 176.094 -0.515 0.000 1.054 475 V CA 0.867 62.928 62.300 -0.397 0.000 1.076 475 V CB -0.175 31.158 31.823 -0.816 0.000 0.748 475 V HN 0.713 nan 8.190 nan 0.000 0.474 476 F N 0.651 120.631 119.950 0.048 0.000 2.347 476 F HA 0.525 5.051 4.527 -0.001 0.000 0.366 476 F C 0.925 176.739 175.800 0.025 0.000 1.107 476 F CA -1.092 56.928 58.000 0.033 0.000 1.058 476 F CB 1.211 40.224 39.000 0.023 0.000 1.236 476 F HN -0.218 nan 8.300 nan 0.000 0.456 477 K N 0.995 121.488 120.400 0.156 0.000 2.209 477 K HA -0.133 4.186 4.320 -0.001 0.000 0.204 477 K C 1.469 178.121 176.600 0.086 0.000 1.048 477 K CA 1.122 57.462 56.287 0.088 0.000 0.940 477 K CB -0.233 32.299 32.500 0.054 0.000 0.729 477 K HN 0.604 nan 8.250 nan 0.000 0.451 478 D N -0.942 119.521 120.400 0.105 0.000 2.363 478 D HA 0.030 4.669 4.640 -0.001 0.000 0.226 478 D C 0.829 177.165 176.300 0.060 0.000 1.020 478 D CA 0.706 54.745 54.000 0.065 0.000 0.892 478 D CB -0.291 40.537 40.800 0.047 0.000 0.900 478 D HN 0.173 nan 8.370 nan 0.000 0.531 479 G N -0.120 108.736 108.800 0.095 0.000 2.160 479 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.244 479 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.244 479 G C 0.058 174.997 174.900 0.065 0.000 1.022 479 G CA 0.229 45.377 45.100 0.081 0.000 0.741 479 G HN 0.420 nan 8.290 nan 0.000 0.508 480 S N 1.456 117.192 115.700 0.060 0.000 2.565 480 S HA 0.503 4.972 4.470 -0.001 0.000 0.276 480 S C -1.852 172.740 174.600 -0.013 0.000 1.326 480 S CA -0.895 57.283 58.200 -0.037 0.000 1.045 480 S CB 1.429 64.523 63.200 -0.177 0.000 0.918 480 S HN 0.264 nan 8.310 nan 0.000 0.505 481 P HA 0.102 nan 4.420 nan 0.000 0.266 481 P C -0.508 176.788 177.300 -0.006 0.000 1.195 481 P CA 0.059 63.158 63.100 -0.001 0.000 0.768 481 P CB 0.208 31.892 31.700 -0.026 0.000 0.838 482 I N 3.519 124.143 120.570 0.089 0.000 2.416 482 I HA 0.097 4.266 4.170 -0.001 0.000 0.288 482 I C 0.936 177.090 176.117 0.061 0.000 1.051 482 I CA -0.363 61.019 61.300 0.137 0.000 1.375 482 I CB 0.121 38.245 38.000 0.206 0.000 1.407 482 I HN 0.149 nan 8.210 nan 0.000 0.516 483 L N 6.397 127.648 121.223 0.046 0.000 2.476 483 L HA 0.260 4.600 4.340 -0.001 0.000 0.255 483 L C 1.750 178.659 176.870 0.066 0.000 1.218 483 L CA -0.566 54.296 54.840 0.038 0.000 0.819 483 L CB 0.209 42.284 42.059 0.027 0.000 1.119 483 L HN 0.626 nan 8.230 nan 0.000 0.485 484 R N -0.142 120.406 120.500 0.080 0.000 2.081 484 R HA -0.078 4.261 4.340 -0.001 0.000 0.235 484 R C -0.290 176.102 176.300 0.154 0.000 1.131 484 R CA 0.886 57.056 56.100 0.117 0.000 0.960 484 R CB -0.296 30.101 30.300 0.162 0.000 0.856 484 R HN 0.594 nan 8.270 nan 0.000 0.436 485 D N 1.250 121.758 120.400 0.181 0.000 2.344 485 D HA 0.176 4.815 4.640 -0.001 0.000 0.253 485 D C -0.197 176.184 176.300 0.136 0.000 1.255 485 D CA 0.695 54.826 54.000 0.218 0.000 0.894 485 D CB 0.590 41.545 40.800 0.259 0.000 1.067 485 D HN 0.008 nan 8.370 nan 0.000 0.492 486 M N 1.460 121.124 119.600 0.108 0.000 2.530 486 M HA 0.741 5.220 4.480 -0.001 0.000 0.307 486 M C -0.591 175.706 176.300 -0.005 0.000 1.161 486 M CA -0.905 54.384 55.300 -0.017 0.000 0.903 486 M CB 2.550 35.046 32.600 -0.173 0.000 1.711 486 M HN 0.275 nan 8.290 nan 0.000 0.451 487 A N 1.742 124.526 122.820 -0.061 0.000 2.549 487 A HA 0.875 5.195 4.320 -0.001 0.000 0.297 487 A C -1.638 175.916 177.584 -0.050 0.000 1.061 487 A CA -0.628 51.429 52.037 0.032 0.000 0.690 487 A CB 1.050 20.149 19.000 0.164 0.000 1.287 487 A HN 0.681 nan 8.150 nan 0.000 0.402 488 F N 1.453 121.476 119.950 0.121 0.000 2.371 488 F HA 0.479 5.005 4.527 -0.001 0.000 0.329 488 F C 1.581 177.485 175.800 0.174 0.000 1.107 488 F CA 0.490 58.514 58.000 0.039 0.000 1.137 488 F CB 1.476 40.435 39.000 -0.070 0.000 1.214 488 F HN 0.686 nan 8.300 nan 0.000 0.536 489 S N 1.533 117.448 115.700 0.358 0.000 2.617 489 S HA 0.220 4.690 4.470 -0.001 0.000 0.259 489 S C 1.249 175.998 174.600 0.248 0.000 1.301 489 S CA -0.639 57.780 58.200 0.365 0.000 0.984 489 S CB 0.400 63.811 63.200 0.352 0.000 0.954 489 S HN 0.615 nan 8.310 nan 0.000 0.572 490 I N 0.964 121.658 120.570 0.208 0.000 2.335 490 I HA -0.207 3.962 4.170 -0.001 0.000 0.251 490 I C 1.288 177.469 176.117 0.107 0.000 1.129 490 I CA 1.523 62.914 61.300 0.153 0.000 1.402 490 I CB -0.572 37.510 38.000 0.137 0.000 1.069 490 I HN 0.678 nan 8.210 nan 0.000 0.424 491 N N 0.043 118.800 118.700 0.095 0.000 2.282 491 N HA 0.111 4.850 4.740 -0.001 0.000 0.240 491 N C -0.423 175.092 175.510 0.010 0.000 1.182 491 N CA -0.125 52.960 53.050 0.057 0.000 0.874 491 N CB 0.689 39.212 38.487 0.059 0.000 1.126 491 N HN 0.046 nan 8.380 nan 0.000 0.516 492 Q N -0.334 119.450 119.800 -0.026 0.000 2.481 492 Q HA -0.197 4.143 4.340 -0.001 0.000 0.272 492 Q C 0.546 176.447 176.000 -0.164 0.000 1.157 492 Q CA 0.487 56.180 55.803 -0.184 0.000 0.935 492 Q CB -1.868 26.506 28.738 -0.607 0.000 1.338 492 Q HN 0.527 nan 8.270 nan 0.000 0.494 493 L N -1.749 119.392 121.223 -0.137 0.000 2.179 493 L HA 0.030 4.370 4.340 -0.001 0.000 0.208 493 L C 0.382 176.854 176.870 -0.664 0.000 1.096 493 L CA 1.084 55.688 54.840 -0.394 0.000 0.779 493 L CB 0.000 41.798 42.059 -0.435 0.000 0.922 493 L HN 0.247 nan 8.230 nan 0.000 0.443 494 Y N -1.090 119.086 120.300 -0.207 0.000 2.545 494 Y HA 0.537 5.087 4.550 -0.001 0.000 0.348 494 Y C -0.537 175.085 175.900 -0.462 0.000 1.002 494 Y CA -1.119 56.745 58.100 -0.393 0.000 1.039 494 Y CB 2.018 40.148 38.460 -0.551 0.000 1.271 494 Y HN -0.278 nan 8.280 nan 0.000 0.467 495 L N 2.458 123.379 121.223 -0.504 0.000 2.305 495 L HA 0.532 4.872 4.340 -0.001 0.000 0.284 495 L C -1.664 174.866 176.870 -0.567 0.000 1.013 495 L CA -0.804 53.617 54.840 -0.699 0.000 0.819 495 L CB 0.330 41.757 42.059 -1.053 0.000 1.227 495 L HN 0.483 nan 8.230 nan 0.000 0.417 496 Y N 4.348 124.469 120.300 -0.298 0.000 2.336 496 Y HA 0.545 5.095 4.550 -0.001 0.000 0.335 496 Y C 0.163 175.956 175.900 -0.177 0.000 1.046 496 Y CA -0.209 57.771 58.100 -0.199 0.000 1.198 496 Y CB 1.222 39.601 38.460 -0.136 0.000 1.182 496 Y HN 0.327 nan 8.280 nan 0.000 0.502 497 V N 5.521 125.444 119.914 0.015 0.000 2.823 497 V HA 0.562 4.682 4.120 -0.001 0.000 0.312 497 V C -0.306 175.941 176.094 0.254 0.000 1.072 497 V CA -1.068 61.268 62.300 0.060 0.000 0.937 497 V CB 2.071 33.869 31.823 -0.041 0.000 1.013 497 V HN 0.810 nan 8.190 nan 0.000 0.430 498 M N 2.861 122.633 119.600 0.287 0.000 2.501 498 M HA 0.838 5.317 4.480 -0.001 0.000 0.293 498 M C -0.604 175.732 176.300 0.060 0.000 1.192 498 M CA -0.269 55.183 55.300 0.252 0.000 0.886 498 M CB 2.420 35.101 32.600 0.134 0.000 1.710 498 M HN 0.647 nan 8.290 nan 0.000 0.457 499 S N 1.070 116.587 115.700 -0.304 0.000 2.776 499 S HA 0.464 4.934 4.470 -0.001 0.000 0.306 499 S C 0.429 174.938 174.600 -0.151 0.000 1.114 499 S CA -0.581 57.338 58.200 -0.467 0.000 0.973 499 S CB 1.433 63.971 63.200 -1.102 0.000 1.250 499 S HN 0.869 nan 8.310 nan 0.000 0.549 500 E N 0.104 120.196 120.200 -0.180 0.000 2.265 500 E HA -0.038 4.312 4.350 -0.001 0.000 0.196 500 E C 1.353 177.788 176.600 -0.275 0.000 0.996 500 E CA 0.825 57.147 56.400 -0.131 0.000 0.832 500 E CB -0.045 29.576 29.700 -0.133 0.000 0.756 500 E HN 0.472 nan 8.360 nan 0.000 0.491 501 R N -0.817 119.502 120.500 -0.301 0.000 2.531 501 R HA 0.236 4.576 4.340 -0.001 0.000 0.316 501 R C 0.059 176.207 176.300 -0.254 0.000 0.955 501 R CA 0.006 55.852 56.100 -0.422 0.000 1.120 501 R CB 1.020 31.167 30.300 -0.255 0.000 1.361 501 R HN -0.056 nan 8.270 nan 0.000 0.534 502 Q N 0.317 120.140 119.800 0.039 0.000 2.377 502 Q HA 0.446 4.786 4.340 -0.001 0.000 0.279 502 Q C -1.600 174.630 176.000 0.384 0.000 1.049 502 Q CA -0.764 55.169 55.803 0.217 0.000 0.825 502 Q CB 3.598 32.383 28.738 0.078 0.000 1.401 502 Q HN -0.107 nan 8.270 nan 0.000 0.404 503 V N 1.457 121.552 119.914 0.301 0.000 2.540 503 V HA 0.618 4.738 4.120 -0.001 0.000 0.302 503 V C -0.606 175.612 176.094 0.206 0.000 1.035 503 V CA -0.432 61.989 62.300 0.202 0.000 0.873 503 V CB 1.994 33.822 31.823 0.008 0.000 0.992 503 V HN 0.788 nan 8.190 nan 0.000 0.428 504 T N 4.407 119.075 114.554 0.189 0.000 2.881 504 T HA 0.428 4.777 4.350 -0.001 0.000 0.290 504 T C -0.344 174.319 174.700 -0.062 0.000 1.000 504 T CA -0.594 61.542 62.100 0.060 0.000 0.978 504 T CB 1.599 70.442 68.868 -0.042 0.000 0.997 504 T HN 0.643 nan 8.240 nan 0.000 0.443 505 R N 3.034 123.454 120.500 -0.134 0.000 2.205 505 R HA 0.500 4.840 4.340 -0.001 0.000 0.342 505 R C -1.096 174.939 176.300 -0.441 0.000 1.058 505 R CA -0.285 55.556 56.100 -0.433 0.000 0.904 505 R CB 0.084 30.059 30.300 -0.542 0.000 1.089 505 R HN 0.408 nan 8.270 nan 0.000 0.471 506 V N 7.760 127.358 119.914 -0.526 0.000 2.370 506 V HA 0.309 4.429 4.120 -0.001 0.000 0.279 506 V C -2.043 173.802 176.094 -0.415 0.000 1.029 506 V CA -2.333 59.557 62.300 -0.684 0.000 0.870 506 V CB 1.516 32.927 31.823 -0.687 0.000 0.984 506 V HN 0.780 nan 8.190 nan 0.000 0.451 507 P HA 0.074 nan 4.420 nan 0.000 0.265 507 P C 0.983 178.090 177.300 -0.322 0.000 1.193 507 P CA 0.172 63.087 63.100 -0.309 0.000 0.765 507 P CB 0.845 32.432 31.700 -0.187 0.000 0.823 508 V N 1.880 121.578 119.914 -0.360 0.000 2.490 508 V HA -0.172 3.947 4.120 -0.001 0.000 0.250 508 V C 1.021 177.006 176.094 -0.181 0.000 1.061 508 V CA 1.998 64.170 62.300 -0.213 0.000 1.064 508 V CB -0.973 30.728 31.823 -0.203 0.000 0.670 508 V HN 0.722 nan 8.190 nan 0.000 0.461 509 E N -2.111 117.915 120.200 -0.291 0.000 2.367 509 E HA 0.544 4.894 4.350 -0.001 0.000 0.273 509 E C -0.863 175.684 176.600 -0.089 0.000 0.903 509 E CA -0.549 55.743 56.400 -0.179 0.000 0.764 509 E CB 1.855 31.369 29.700 -0.311 0.000 1.252 509 E HN -0.110 nan 8.360 nan 0.000 0.446 510 S N 1.094 116.795 115.700 0.003 0.000 2.327 510 S HA 0.163 4.632 4.470 -0.001 0.000 0.203 510 S C 0.256 174.863 174.600 0.012 0.000 1.326 510 S CA -0.624 57.573 58.200 -0.004 0.000 1.248 510 S CB -0.494 62.704 63.200 -0.004 0.000 1.199 510 S HN 0.696 nan 8.310 nan 0.000 0.422 511 c N 2.392 121.048 118.600 0.093 0.000 2.403 511 c HA -0.121 4.449 4.570 -0.001 0.000 0.279 511 c C 2.877 177.076 174.090 0.182 0.000 1.269 511 c CA 1.016 57.489 56.329 0.240 0.000 1.774 511 c CB -0.754 41.896 42.510 0.234 0.000 1.993 511 c HN 0.791 nan 8.230 nan 0.000 0.496 512 E N 2.372 122.615 120.200 0.072 0.000 2.401 512 E HA -0.282 4.067 4.350 -0.001 0.000 0.199 512 E C 1.818 178.421 176.600 0.005 0.000 1.023 512 E CA 1.516 57.951 56.400 0.058 0.000 0.859 512 E CB -0.779 28.934 29.700 0.022 0.000 0.780 512 E HN 0.912 nan 8.360 nan 0.000 0.523 513 Q N 0.021 119.736 119.800 -0.143 0.000 2.364 513 Q HA -0.115 4.225 4.340 -0.001 0.000 0.207 513 Q C -0.154 175.679 176.000 -0.279 0.000 0.970 513 Q CA 0.598 56.244 55.803 -0.261 0.000 0.888 513 Q CB -0.564 27.927 28.738 -0.412 0.000 0.951 513 Q HN 0.277 nan 8.270 nan 0.000 0.469 514 Y N 1.871 122.242 120.300 0.118 0.000 2.383 514 Y HA 0.183 4.732 4.550 -0.001 0.000 0.344 514 Y C 1.241 177.274 175.900 0.222 0.000 0.986 514 Y CA -0.038 58.143 58.100 0.135 0.000 1.175 514 Y CB 1.496 40.035 38.460 0.132 0.000 1.152 514 Y HN 0.114 nan 8.280 nan 0.000 0.511 515 T N -2.550 112.176 114.554 0.287 0.000 3.040 515 T HA 0.124 4.474 4.350 -0.001 0.000 0.250 515 T C 0.503 175.340 174.700 0.229 0.000 1.058 515 T CA 0.335 62.605 62.100 0.283 0.000 0.988 515 T CB -0.214 68.752 68.868 0.164 0.000 0.993 515 T HN 0.598 nan 8.240 nan 0.000 0.519 516 T N -2.367 112.176 114.554 -0.018 0.000 2.916 516 T HA 0.428 4.778 4.350 -0.001 0.000 0.292 516 T C 1.166 175.266 174.700 -1.000 0.000 1.055 516 T CA -0.507 61.315 62.100 -0.464 0.000 1.009 516 T CB 1.234 69.941 68.868 -0.268 0.000 1.118 516 T HN 0.055 nan 8.240 nan 0.000 0.497 517 c N 1.796 119.367 118.600 -1.715 0.000 2.413 517 c HA 0.087 4.656 4.570 -0.001 0.000 0.277 517 c C 2.937 176.656 174.090 -0.618 0.000 1.265 517 c CA 1.777 57.181 56.329 -1.541 0.000 1.752 517 c CB -1.870 39.771 42.510 -1.448 0.000 1.998 517 c HN 1.059 nan 8.230 nan 0.000 0.489 518 G N -0.407 108.118 108.800 -0.458 0.000 2.433 518 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.216 518 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.216 518 G C 1.545 176.317 174.900 -0.214 0.000 1.186 518 G CA 0.993 45.932 45.100 -0.268 0.000 0.779 518 G HN 0.730 nan 8.290 nan 0.000 0.543 519 E N -0.598 119.494 120.200 -0.180 0.000 2.038 519 E HA -0.186 4.163 4.350 -0.001 0.000 0.195 519 E C 2.527 178.970 176.600 -0.260 0.000 1.000 519 E CA 1.041 57.371 56.400 -0.117 0.000 0.803 519 E CB -0.421 29.314 29.700 0.058 0.000 0.750 519 E HN 0.389 nan 8.360 nan 0.000 0.448 520 c N 0.839 119.333 118.600 -0.177 0.000 2.349 520 c HA -0.195 4.374 4.570 -0.001 0.000 0.274 520 c C 2.375 176.297 174.090 -0.281 0.000 1.178 520 c CA 1.033 57.258 56.329 -0.173 0.000 1.769 520 c CB -0.948 41.667 42.510 0.175 0.000 2.047 520 c HN 0.360 nan 8.230 nan 0.000 0.448 521 L N 1.055 122.151 121.223 -0.211 0.000 2.612 521 L HA 0.081 4.421 4.340 -0.001 0.000 0.230 521 L C 1.826 178.576 176.870 -0.200 0.000 1.140 521 L CA 0.983 55.709 54.840 -0.191 0.000 0.896 521 L CB -0.201 41.766 42.059 -0.154 0.000 1.065 521 L HN 0.596 nan 8.230 nan 0.000 0.447 522 S N -3.262 112.301 115.700 -0.229 0.000 2.650 522 S HA 0.026 4.496 4.470 -0.001 0.000 0.240 522 S C 1.610 176.084 174.600 -0.211 0.000 1.007 522 S CA 0.098 58.187 58.200 -0.184 0.000 0.984 522 S CB 0.256 63.374 63.200 -0.138 0.000 0.910 522 S HN 0.328 nan 8.310 nan 0.000 0.509 523 S N 1.001 116.499 115.700 -0.337 0.000 2.436 523 S HA 0.373 4.843 4.470 -0.001 0.000 0.228 523 S C 1.888 176.367 174.600 -0.202 0.000 1.014 523 S CA 0.822 58.804 58.200 -0.364 0.000 0.950 523 S CB -0.788 61.901 63.200 -0.853 0.000 0.784 523 S HN 1.528 nan 8.310 nan 0.000 0.504 524 G N 1.135 109.773 108.800 -0.269 0.000 2.199 524 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.254 524 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.254 524 G C -0.204 174.301 174.900 -0.659 0.000 0.982 524 G CA 0.187 45.102 45.100 -0.309 0.000 0.632 524 G HN 0.651 nan 8.290 nan 0.000 0.529 525 D N 1.262 121.249 120.400 -0.688 0.000 2.336 525 D HA 0.447 5.087 4.640 -0.001 0.000 0.249 525 D C -0.655 175.277 176.300 -0.614 0.000 1.213 525 D CA -1.975 51.469 54.000 -0.927 0.000 0.870 525 D CB 1.312 41.926 40.800 -0.310 0.000 1.076 525 D HN 0.145 nan 8.370 nan 0.000 0.483 526 P HA -0.052 nan 4.420 nan 0.000 0.230 526 P C 0.365 177.455 177.300 -0.352 0.000 1.158 526 P CA 0.968 63.677 63.100 -0.652 0.000 0.769 526 P CB 0.161 31.406 31.700 -0.758 0.000 0.807 527 H N -2.286 116.635 119.070 -0.249 0.000 2.482 527 H HA 0.089 4.645 4.556 -0.001 0.000 0.286 527 H C 0.379 175.708 175.328 0.001 0.000 1.017 527 H CA 0.113 55.994 56.048 -0.278 0.000 1.322 527 H CB -0.323 29.231 29.762 -0.348 0.000 1.426 527 H HN 0.100 nan 8.280 nan 0.000 0.546 528 c N 1.982 120.640 118.600 0.098 0.000 2.347 528 c HA 0.694 5.264 4.570 -0.001 0.000 0.353 528 c C 1.160 175.320 174.090 0.117 0.000 1.273 528 c CA -0.575 55.840 56.329 0.143 0.000 1.861 528 c CB 0.195 42.759 42.510 0.090 0.000 2.420 528 c HN 0.583 nan 8.230 nan 0.000 0.542 529 G N 1.805 110.718 108.800 0.188 0.000 2.642 529 G HA2 0.591 4.551 3.960 -0.001 0.000 0.293 529 G HA3 0.591 4.551 3.960 -0.001 0.000 0.293 529 G C -1.637 173.129 174.900 -0.223 0.000 1.341 529 G CA -0.359 44.587 45.100 -0.256 0.000 0.916 529 G HN 0.823 nan 8.290 nan 0.000 0.474 530 W N 1.619 122.577 121.300 -0.570 0.000 2.316 530 W HA 0.430 5.090 4.660 -0.001 0.000 0.308 530 W C -0.615 175.795 176.519 -0.182 0.000 1.106 530 W CA -1.200 55.998 57.345 -0.244 0.000 1.262 530 W CB 1.360 30.723 29.460 -0.163 0.000 1.233 530 W HN 0.463 nan 8.180 nan 0.000 0.447 531 c N 7.341 125.671 118.600 -0.449 0.000 2.492 531 c HA 0.348 4.918 4.570 -0.001 0.000 0.362 531 c C 1.637 175.479 174.090 -0.414 0.000 1.207 531 c CA 0.492 56.696 56.329 -0.209 0.000 1.626 531 c CB -0.975 41.469 42.510 -0.109 0.000 2.239 531 c HN 0.828 nan 8.230 nan 0.000 0.547 532 A N 5.356 128.091 122.820 -0.141 0.000 1.859 532 A HA -0.161 4.159 4.320 -0.001 0.000 0.218 532 A C 2.004 179.532 177.584 -0.094 0.000 1.209 532 A CA 1.722 53.751 52.037 -0.014 0.000 0.639 532 A CB -0.579 18.441 19.000 0.032 0.000 0.835 532 A HN 0.879 nan 8.150 nan 0.000 0.450 533 L N -1.568 119.519 121.223 -0.227 0.000 2.313 533 L HA -0.064 4.276 4.340 -0.001 0.000 0.214 533 L C 1.983 178.645 176.870 -0.348 0.000 1.119 533 L CA 0.701 55.271 54.840 -0.450 0.000 0.809 533 L CB -0.485 41.266 42.059 -0.512 0.000 0.933 533 L HN 0.528 nan 8.230 nan 0.000 0.449 534 H N -0.512 118.439 119.070 -0.197 0.000 2.539 534 H HA 0.043 4.599 4.556 -0.001 0.000 0.269 534 H C 0.353 175.577 175.328 -0.174 0.000 0.980 534 H CA -0.015 55.940 56.048 -0.155 0.000 1.152 534 H CB 0.249 29.915 29.762 -0.160 0.000 1.407 534 H HN 0.262 nan 8.280 nan 0.000 0.564 535 N N 1.281 119.897 118.700 -0.140 0.000 2.705 535 N HA -0.193 4.546 4.740 -0.001 0.000 0.255 535 N C -0.600 174.588 175.510 -0.538 0.000 1.008 535 N CA 0.754 53.712 53.050 -0.153 0.000 0.742 535 N CB -1.070 37.529 38.487 0.187 0.000 0.906 535 N HN 0.512 nan 8.380 nan 0.000 0.541 536 M N -2.260 116.661 119.600 -1.133 0.000 2.470 536 M HA 0.439 4.919 4.480 -0.001 0.000 0.285 536 M C -1.022 174.812 176.300 -0.777 0.000 1.213 536 M CA -1.017 53.835 55.300 -0.747 0.000 0.901 536 M CB 1.695 34.133 32.600 -0.269 0.000 1.718 536 M HN 0.072 nan 8.290 nan 0.000 0.469 537 c N 3.134 121.641 118.600 -0.155 0.000 2.325 537 c HA 0.914 5.484 4.570 -0.001 0.000 0.347 537 c C 0.200 174.369 174.090 0.132 0.000 1.263 537 c CA 0.696 57.130 56.329 0.174 0.000 1.806 537 c CB -0.218 42.572 42.510 0.467 0.000 2.405 537 c HN 1.002 nan 8.230 nan 0.000 0.537 538 S N 5.472 121.278 115.700 0.178 0.000 2.672 538 S HA 0.635 5.105 4.470 -0.001 0.000 0.271 538 S C -1.161 173.601 174.600 0.270 0.000 1.171 538 S CA -1.019 57.281 58.200 0.166 0.000 0.817 538 S CB 0.784 64.028 63.200 0.074 0.000 1.150 538 S HN 0.844 nan 8.310 nan 0.000 0.478 539 R N 0.494 121.087 120.500 0.156 0.000 2.594 539 R HA 0.412 4.751 4.340 -0.001 0.000 0.272 539 R C 1.618 177.896 176.300 -0.037 0.000 1.074 539 R CA -0.484 55.711 56.100 0.157 0.000 1.105 539 R CB 0.289 30.652 30.300 0.106 0.000 1.008 539 R HN 0.765 nan 8.270 nan 0.000 0.472 540 R N 1.725 122.067 120.500 -0.264 0.000 2.119 540 R HA -0.240 4.099 4.340 -0.001 0.000 0.246 540 R C 0.855 176.914 176.300 -0.401 0.000 1.146 540 R CA 2.568 58.108 56.100 -0.933 0.000 0.962 540 R CB -0.247 29.688 30.300 -0.608 0.000 0.863 540 R HN 0.844 nan 8.270 nan 0.000 0.442 541 D N -0.441 119.883 120.400 -0.126 0.000 2.350 541 D HA -0.122 4.518 4.640 -0.001 0.000 0.216 541 D C 0.945 177.225 176.300 -0.032 0.000 0.968 541 D CA 0.854 54.834 54.000 -0.033 0.000 0.894 541 D CB 0.069 40.885 40.800 0.026 0.000 0.909 541 D HN 0.187 nan 8.370 nan 0.000 0.520 542 K N -0.542 119.820 120.400 -0.064 0.000 2.374 542 K HA 0.115 4.435 4.320 -0.001 0.000 0.196 542 K C -0.161 176.374 176.600 -0.108 0.000 1.023 542 K CA -0.137 56.112 56.287 -0.063 0.000 1.103 542 K CB 0.493 32.968 32.500 -0.042 0.000 0.848 542 K HN 0.226 nan 8.250 nan 0.000 0.528 543 c N 4.150 122.667 118.600 -0.137 0.000 2.239 543 c HA 0.200 4.770 4.570 -0.001 0.000 0.323 543 c C 0.361 174.354 174.090 -0.163 0.000 1.205 543 c CA -0.810 55.430 56.329 -0.149 0.000 1.584 543 c CB -0.560 41.904 42.510 -0.076 0.000 2.201 543 c HN 0.496 nan 8.230 nan 0.000 0.475 544 Q N 5.485 125.177 119.800 -0.180 0.000 2.315 544 Q HA 0.210 4.550 4.340 -0.001 0.000 0.289 544 Q C 0.324 176.094 176.000 -0.384 0.000 1.044 544 Q CA 0.406 56.109 55.803 -0.166 0.000 0.920 544 Q CB 0.365 29.048 28.738 -0.091 0.000 1.214 544 Q HN 0.827 nan 8.270 nan 0.000 0.392 545 R N 0.951 120.910 120.500 -0.900 0.000 3.770 545 R HA -0.287 4.052 4.340 -0.001 0.000 0.305 545 R C 0.822 176.376 176.300 -1.243 0.000 1.184 545 R CA 0.526 55.637 56.100 -1.649 0.000 0.823 545 R CB -2.422 27.415 30.300 -0.771 0.000 1.285 545 R HN 0.860 nan 8.270 nan 0.000 0.499 546 A N 0.501 122.848 122.820 -0.788 0.000 2.024 546 A HA -0.156 4.164 4.320 -0.001 0.000 0.220 546 A C 1.692 179.195 177.584 -0.134 0.000 1.164 546 A CA 1.440 53.307 52.037 -0.284 0.000 0.643 546 A CB -0.719 18.135 19.000 -0.243 0.000 0.806 546 A HN 0.713 nan 8.150 nan 0.000 0.451 547 W N 0.002 121.291 121.300 -0.018 0.000 2.937 547 W HA 0.332 4.992 4.660 -0.001 0.000 0.245 547 W C 0.260 176.787 176.519 0.013 0.000 1.306 547 W CA 0.063 57.406 57.345 -0.004 0.000 1.470 547 W CB -0.249 29.200 29.460 -0.018 0.000 1.132 547 W HN 0.169 nan 8.180 nan 0.000 0.675 548 E N 1.130 121.092 120.200 -0.397 0.000 2.313 548 E HA 0.388 4.738 4.350 -0.001 0.000 0.272 548 E C 0.183 176.729 176.600 -0.089 0.000 1.038 548 E CA -0.610 55.664 56.400 -0.210 0.000 0.863 548 E CB 1.088 30.593 29.700 -0.325 0.000 1.060 548 E HN 0.068 nan 8.360 nan 0.000 0.402 549 A N 3.603 126.406 122.820 -0.029 0.000 2.563 549 A HA -0.100 4.220 4.320 -0.001 0.000 0.256 549 A C 0.226 177.802 177.584 -0.012 0.000 1.056 549 A CA 0.061 52.097 52.037 -0.002 0.000 0.775 549 A CB -0.378 18.625 19.000 0.005 0.000 0.973 549 A HN 0.821 nan 8.150 nan 0.000 0.516 550 N N 0.341 119.050 118.700 0.015 0.000 2.800 550 N HA -0.154 4.586 4.740 -0.001 0.000 0.250 550 N C 0.809 176.327 175.510 0.013 0.000 1.078 550 N CA 1.335 54.399 53.050 0.022 0.000 0.804 550 N CB -0.613 37.883 38.487 0.016 0.000 1.135 550 N HN 0.764 nan 8.380 nan 0.000 0.565 551 R N -0.674 119.824 120.500 -0.003 0.000 2.193 551 R HA 0.184 4.524 4.340 -0.001 0.000 0.213 551 R C 0.265 176.629 176.300 0.106 0.000 1.055 551 R CA 0.513 56.600 56.100 -0.021 0.000 0.995 551 R CB -0.060 30.162 30.300 -0.130 0.000 0.893 551 R HN 0.301 nan 8.270 nan 0.000 0.459 552 F N 0.227 120.157 119.950 -0.034 0.000 2.539 552 F HA 0.526 5.052 4.527 -0.001 0.000 0.328 552 F C -1.003 174.833 175.800 0.060 0.000 1.148 552 F CA -1.485 56.520 58.000 0.009 0.000 0.940 552 F CB 1.346 40.349 39.000 0.006 0.000 1.194 552 F HN -0.118 nan 8.300 nan 0.000 0.438 553 A N 3.929 126.544 122.820 -0.341 0.000 2.289 553 A HA 0.696 5.015 4.320 -0.001 0.000 0.298 553 A C 0.264 177.611 177.584 -0.396 0.000 1.208 553 A CA 0.185 52.089 52.037 -0.222 0.000 0.845 553 A CB 0.736 19.709 19.000 -0.045 0.000 1.125 553 A HN 1.188 nan 8.150 nan 0.000 0.517 554 A N 1.973 124.684 122.820 -0.182 0.000 2.431 554 A HA 0.530 4.850 4.320 -0.001 0.000 0.239 554 A C 0.714 178.259 177.584 -0.064 0.000 1.230 554 A CA 0.753 52.724 52.037 -0.110 0.000 0.928 554 A CB -0.138 18.894 19.000 0.053 0.000 1.006 554 A HN 1.645 nan 8.150 nan 0.000 0.520 555 S N -1.425 114.234 115.700 -0.069 0.000 2.536 555 S HA 0.425 4.894 4.470 -0.001 0.000 0.271 555 S C 0.411 174.966 174.600 -0.074 0.000 1.134 555 S CA -0.244 57.919 58.200 -0.062 0.000 0.897 555 S CB 0.790 63.970 63.200 -0.033 0.000 1.094 555 S HN 0.577 nan 8.310 nan 0.000 0.473 556 I N 2.940 123.457 120.570 -0.088 0.000 2.358 556 I HA -0.259 3.911 4.170 -0.001 0.000 0.257 556 I C 2.260 178.327 176.117 -0.082 0.000 1.123 556 I CA 2.593 63.831 61.300 -0.102 0.000 1.393 556 I CB -0.539 37.400 38.000 -0.101 0.000 1.073 556 I HN 0.895 nan 8.210 nan 0.000 0.437 557 S N -0.473 115.191 115.700 -0.059 0.000 2.399 557 S HA -0.236 4.233 4.470 -0.001 0.000 0.231 557 S C 1.754 176.332 174.600 -0.036 0.000 1.022 557 S CA 1.176 59.350 58.200 -0.043 0.000 0.983 557 S CB -0.739 62.443 63.200 -0.030 0.000 0.803 557 S HN 0.732 nan 8.310 nan 0.000 0.480 558 Q N 0.142 119.921 119.800 -0.035 0.000 2.444 558 Q HA 0.234 4.573 4.340 -0.001 0.000 0.206 558 Q C -0.121 175.873 176.000 -0.009 0.000 0.948 558 Q CA -0.274 55.519 55.803 -0.016 0.000 0.946 558 Q CB -0.244 28.488 28.738 -0.010 0.000 1.027 558 Q HN 0.506 nan 8.270 nan 0.000 0.513 559 c N 1.942 120.516 118.600 -0.044 0.000 2.648 559 c HA 0.127 4.696 4.570 -0.001 0.000 0.419 559 c C 0.855 174.933 174.090 -0.020 0.000 1.352 559 c CA -0.495 55.797 56.329 -0.061 0.000 1.816 559 c CB -0.703 41.713 42.510 -0.157 0.000 2.598 559 c HN 0.474 nan 8.230 nan 0.000 0.598 560 M N 3.440 123.059 119.600 0.033 0.000 2.245 560 M HA 0.249 4.729 4.480 -0.001 0.000 0.330 560 M C 0.564 176.870 176.300 0.010 0.000 1.098 560 M CA 0.865 56.198 55.300 0.055 0.000 1.172 560 M CB 0.459 33.144 32.600 0.142 0.000 1.467 560 M HN 0.879 nan 8.290 nan 0.000 0.454 561 S N 1.987 117.690 115.700 0.006 0.000 2.569 561 S HA 0.815 5.285 4.470 -0.001 0.000 0.280 561 S C -1.265 173.325 174.600 -0.017 0.000 1.111 561 S CA -1.090 57.100 58.200 -0.016 0.000 0.887 561 S CB 2.001 65.189 63.200 -0.021 0.000 1.095 561 S HN 0.565 nan 8.310 nan 0.000 0.476 562 L N 1.172 122.374 121.223 -0.035 0.000 2.341 562 L HA 0.628 4.968 4.340 -0.001 0.000 0.278 562 L C -0.916 175.937 176.870 -0.028 0.000 1.005 562 L CA -0.265 54.548 54.840 -0.045 0.000 0.818 562 L CB 1.478 43.485 42.059 -0.086 0.000 1.259 562 L HN 0.906 nan 8.230 nan 0.000 0.418 563 E N 4.067 124.257 120.200 -0.017 0.000 2.187 563 E HA 0.601 4.950 4.350 -0.001 0.000 0.268 563 E C -1.301 175.309 176.600 0.016 0.000 0.896 563 E CA -0.877 55.526 56.400 0.006 0.000 0.766 563 E CB 2.465 32.174 29.700 0.014 0.000 1.142 563 E HN 0.380 nan 8.360 nan 0.000 0.408 564 V N 1.816 121.756 119.914 0.044 0.000 2.581 564 V HA 0.334 4.453 4.120 -0.001 0.000 0.303 564 V C -0.713 175.465 176.094 0.141 0.000 1.041 564 V CA -0.864 61.475 62.300 0.065 0.000 0.907 564 V CB 1.386 33.246 31.823 0.062 0.000 0.994 564 V HN 0.703 nan 8.190 nan 0.000 0.442 565 H N 5.400 124.491 119.070 0.035 0.000 2.970 565 H HA 0.571 5.126 4.556 -0.001 0.000 0.315 565 H C -2.801 172.565 175.328 0.062 0.000 0.992 565 H CA -1.457 54.618 56.048 0.045 0.000 1.363 565 H CB 2.252 32.028 29.762 0.023 0.000 1.532 565 H HN 0.520 nan 8.280 nan 0.000 0.514 566 P HA 0.126 nan 4.420 nan 0.000 0.281 566 P C -0.181 177.168 177.300 0.081 0.000 1.281 566 P CA -0.596 62.405 63.100 -0.165 0.000 0.811 566 P CB 1.447 33.036 31.700 -0.184 0.000 1.154 567 N N -1.238 117.490 118.700 0.046 0.000 2.409 567 N HA -0.041 4.699 4.740 -0.001 0.000 0.179 567 N C 0.215 175.671 175.510 -0.091 0.000 1.032 567 N CA 0.302 53.397 53.050 0.075 0.000 0.898 567 N CB -0.296 38.195 38.487 0.007 0.000 0.971 567 N HN 0.439 nan 8.380 nan 0.000 0.441 568 S N -0.575 115.033 115.700 -0.153 0.000 2.556 568 S HA 0.699 5.168 4.470 -0.001 0.000 0.271 568 S C -0.689 173.751 174.600 -0.267 0.000 1.135 568 S CA -1.137 56.830 58.200 -0.388 0.000 0.858 568 S CB 1.419 64.553 63.200 -0.111 0.000 1.114 568 S HN 0.330 nan 8.310 nan 0.000 0.468 569 I N -1.423 118.822 120.570 -0.542 0.000 3.095 569 I HA 0.773 4.943 4.170 -0.001 0.000 0.310 569 I C -0.335 175.228 176.117 -0.923 0.000 1.196 569 I CA -0.896 60.122 61.300 -0.469 0.000 0.985 569 I CB 1.894 39.778 38.000 -0.194 0.000 1.250 569 I HN 0.657 nan 8.210 nan 0.000 0.446 570 S N 1.479 116.711 115.700 -0.780 0.000 2.584 570 S HA 0.281 4.750 4.470 -0.001 0.000 0.273 570 S C 1.220 175.739 174.600 -0.134 0.000 1.311 570 S CA -0.247 57.549 58.200 -0.674 0.000 1.034 570 S CB 1.448 64.535 63.200 -0.190 0.000 0.939 570 S HN 0.800 nan 8.310 nan 0.000 0.513 571 V N 3.336 123.246 119.914 -0.007 0.000 2.469 571 V HA -0.065 4.055 4.120 -0.001 0.000 0.251 571 V C 1.838 177.980 176.094 0.080 0.000 1.064 571 V CA 2.137 64.487 62.300 0.083 0.000 1.066 571 V CB -1.335 30.504 31.823 0.026 0.000 0.667 571 V HN 0.766 nan 8.190 nan 0.000 0.461 572 S N 0.285 116.019 115.700 0.057 0.000 2.607 572 S HA 0.012 4.482 4.470 -0.001 0.000 0.224 572 S C 0.923 175.536 174.600 0.023 0.000 0.969 572 S CA 0.987 59.228 58.200 0.068 0.000 0.927 572 S CB -0.428 62.804 63.200 0.053 0.000 0.772 572 S HN 0.825 nan 8.310 nan 0.000 0.533 573 D N 1.721 122.123 120.400 0.003 0.000 2.930 573 D HA 0.150 4.790 4.640 -0.001 0.000 0.304 573 D C -0.005 176.278 176.300 -0.029 0.000 1.298 573 D CA -0.720 53.241 54.000 -0.066 0.000 0.949 573 D CB -0.251 40.519 40.800 -0.050 0.000 1.013 573 D HN 0.492 nan 8.370 nan 0.000 0.510 574 H N -1.447 117.644 119.070 0.034 0.000 2.547 574 H HA 0.525 5.081 4.556 -0.001 0.000 0.362 574 H C 0.604 175.942 175.328 0.016 0.000 1.181 574 H CA -0.582 55.488 56.048 0.036 0.000 1.376 574 H CB 0.794 30.554 29.762 -0.004 0.000 1.488 574 H HN -0.055 nan 8.280 nan 0.000 0.583 575 S N -0.590 115.203 115.700 0.154 0.000 3.706 575 S HA -0.242 4.228 4.470 -0.001 0.000 0.363 575 S C 0.236 174.850 174.600 0.022 0.000 0.999 575 S CA 0.824 59.073 58.200 0.081 0.000 1.143 575 S CB -1.375 61.919 63.200 0.157 0.000 0.902 575 S HN 0.897 nan 8.310 nan 0.000 0.476 576 R N 0.424 120.939 120.500 0.025 0.000 2.486 576 R HA 0.584 4.924 4.340 -0.001 0.000 0.286 576 R C -0.105 176.219 176.300 0.041 0.000 0.999 576 R CA -0.784 55.330 56.100 0.023 0.000 0.993 576 R CB 0.499 30.815 30.300 0.027 0.000 1.084 576 R HN 0.388 nan 8.270 nan 0.000 0.487 577 L N 6.049 127.295 121.223 0.039 0.000 2.325 577 L HA 0.237 4.576 4.340 -0.001 0.000 0.284 577 L C -0.439 176.467 176.870 0.061 0.000 1.089 577 L CA -0.217 54.652 54.840 0.050 0.000 0.836 577 L CB 0.533 42.618 42.059 0.044 0.000 1.184 577 L HN 0.453 nan 8.230 nan 0.000 0.444 578 L N 3.103 124.363 121.223 0.062 0.000 2.343 578 L HA 0.455 4.794 4.340 -0.001 0.000 0.275 578 L C 0.342 177.249 176.870 0.061 0.000 1.056 578 L CA -0.481 54.393 54.840 0.057 0.000 0.804 578 L CB 1.581 43.640 42.059 0.000 0.000 1.203 578 L HN 0.565 nan 8.230 nan 0.000 0.440 579 S N 3.124 118.885 115.700 0.102 0.000 2.456 579 S HA 0.659 5.128 4.470 -0.001 0.000 0.316 579 S C -0.611 174.021 174.600 0.053 0.000 1.089 579 S CA -0.896 57.348 58.200 0.074 0.000 1.101 579 S CB 1.252 64.499 63.200 0.078 0.000 0.995 579 S HN 0.318 nan 8.310 nan 0.000 0.468 580 L N 3.245 124.473 121.223 0.009 0.000 2.331 580 L HA 0.683 5.022 4.340 -0.001 0.000 0.275 580 L C -0.481 176.384 176.870 -0.008 0.000 1.022 580 L CA -0.818 54.015 54.840 -0.012 0.000 0.812 580 L CB 1.700 43.727 42.059 -0.053 0.000 1.257 580 L HN 0.594 nan 8.230 nan 0.000 0.435 581 V N 2.687 122.596 119.914 -0.009 0.000 2.577 581 V HA 0.424 4.544 4.120 -0.001 0.000 0.303 581 V C -0.254 175.839 176.094 -0.001 0.000 1.042 581 V CA -0.713 61.584 62.300 -0.004 0.000 0.872 581 V CB 2.551 34.370 31.823 -0.007 0.000 0.998 581 V HN 0.449 nan 8.190 nan 0.000 0.423 582 V N 4.607 124.530 119.914 0.015 0.000 2.328 582 V HA 0.413 4.533 4.120 -0.001 0.000 0.278 582 V C 0.132 176.247 176.094 0.036 0.000 1.021 582 V CA -0.923 61.396 62.300 0.032 0.000 0.838 582 V CB 1.093 32.963 31.823 0.079 0.000 0.999 582 V HN 0.819 nan 8.190 nan 0.000 0.447 583 N N 4.360 123.075 118.700 0.025 0.000 2.520 583 N HA 0.153 4.892 4.740 -0.001 0.000 0.273 583 N C 0.274 175.805 175.510 0.034 0.000 1.155 583 N CA 0.095 53.157 53.050 0.021 0.000 0.967 583 N CB 0.758 39.249 38.487 0.008 0.000 1.092 583 N HN 0.792 nan 8.380 nan 0.000 0.457 584 D N -1.782 118.635 120.400 0.029 0.000 3.041 584 D HA -0.164 4.476 4.640 -0.001 0.000 0.220 584 D C -0.186 176.143 176.300 0.048 0.000 1.157 584 D CA 0.556 54.575 54.000 0.033 0.000 0.876 584 D CB -1.298 39.520 40.800 0.030 0.000 1.107 584 D HN 0.641 nan 8.370 nan 0.000 0.422 585 A N 0.875 123.727 122.820 0.053 0.000 2.407 585 A HA 0.528 4.848 4.320 -0.001 0.000 0.248 585 A C -1.469 176.128 177.584 0.022 0.000 1.082 585 A CA -0.601 51.473 52.037 0.062 0.000 0.785 585 A CB 0.546 19.595 19.000 0.081 0.000 1.020 585 A HN 0.023 nan 8.150 nan 0.000 0.489 586 P HA 0.138 nan 4.420 nan 0.000 0.302 586 P C -0.457 176.816 177.300 -0.046 0.000 1.307 586 P CA -0.806 62.268 63.100 -0.044 0.000 0.754 586 P CB 0.306 31.950 31.700 -0.093 0.000 1.298 587 N N -0.501 118.164 118.700 -0.058 0.000 2.412 587 N HA -0.016 4.723 4.740 -0.001 0.000 0.258 587 N C 0.461 175.934 175.510 -0.063 0.000 1.236 587 N CA 0.513 53.534 53.050 -0.048 0.000 0.882 587 N CB -0.401 38.057 38.487 -0.048 0.000 1.066 587 N HN 0.270 nan 8.380 nan 0.000 0.465 588 L N 1.638 122.843 121.223 -0.029 0.000 2.858 588 L HA 0.180 4.520 4.340 -0.001 0.000 0.251 588 L C 1.522 178.388 176.870 -0.007 0.000 1.149 588 L CA -0.118 54.712 54.840 -0.016 0.000 0.955 588 L CB 0.008 42.092 42.059 0.042 0.000 1.289 588 L HN 0.443 nan 8.230 nan 0.000 0.542 589 S N 0.407 116.101 115.700 -0.010 0.000 2.465 589 S HA -0.133 4.337 4.470 -0.001 0.000 0.241 589 S C 1.654 176.250 174.600 -0.007 0.000 1.000 589 S CA 1.057 59.254 58.200 -0.004 0.000 0.964 589 S CB -0.135 63.062 63.200 -0.005 0.000 0.763 589 S HN 0.389 nan 8.310 nan 0.000 0.512 590 E N 0.660 120.848 120.200 -0.020 0.000 2.409 590 E HA 0.141 4.490 4.350 -0.001 0.000 0.198 590 E C 1.121 177.715 176.600 -0.010 0.000 1.024 590 E CA 0.467 56.854 56.400 -0.022 0.000 0.861 590 E CB -0.256 29.418 29.700 -0.044 0.000 0.788 590 E HN 0.531 nan 8.360 nan 0.000 0.521 591 G N 0.442 109.243 108.800 0.002 0.000 2.528 591 G HA2 0.023 3.983 3.960 -0.001 0.000 0.681 591 G HA3 0.023 3.983 3.960 -0.001 0.000 0.681 591 G C -1.141 173.784 174.900 0.042 0.000 1.340 591 G CA -0.824 44.287 45.100 0.018 0.000 0.855 591 G HN -0.008 nan 8.290 nan 0.000 0.649 592 I N 0.918 121.519 120.570 0.053 0.000 2.571 592 I HA 0.671 4.841 4.170 -0.001 0.000 0.289 592 I C 0.428 176.573 176.117 0.047 0.000 1.115 592 I CA -0.621 60.726 61.300 0.078 0.000 1.045 592 I CB 1.457 39.506 38.000 0.082 0.000 1.238 592 I HN 1.211 nan 8.210 nan 0.000 0.424 593 A N 5.108 127.955 122.820 0.044 0.000 2.320 593 A HA 0.723 5.042 4.320 -0.001 0.000 0.334 593 A C -0.837 176.739 177.584 -0.013 0.000 1.147 593 A CA -0.346 51.706 52.037 0.025 0.000 0.820 593 A CB 1.280 20.300 19.000 0.033 0.000 1.218 593 A HN 0.749 nan 8.150 nan 0.000 0.482 594 c N 1.760 120.353 118.600 -0.012 0.000 2.298 594 c HA 0.725 5.294 4.570 -0.001 0.000 0.323 594 c C 0.693 174.755 174.090 -0.047 0.000 1.284 594 c CA -0.346 55.927 56.329 -0.094 0.000 1.577 594 c CB 0.086 42.533 42.510 -0.104 0.000 2.249 594 c HN 0.943 nan 8.230 nan 0.000 0.497 595 A N 3.581 126.327 122.820 -0.123 0.000 2.256 595 A HA 0.715 5.034 4.320 -0.001 0.000 0.317 595 A C -0.594 176.935 177.584 -0.092 0.000 1.318 595 A CA -0.308 51.718 52.037 -0.018 0.000 0.894 595 A CB 0.025 19.023 19.000 -0.004 0.000 1.165 595 A HN 0.776 nan 8.150 nan 0.000 0.525 596 F N 3.447 123.417 119.950 0.033 0.000 2.509 596 F HA 0.424 4.950 4.527 -0.001 0.000 0.350 596 F C 1.648 177.521 175.800 0.122 0.000 1.220 596 F CA 1.105 59.160 58.000 0.091 0.000 1.151 596 F CB 0.166 39.253 39.000 0.144 0.000 1.379 596 F HN 1.044 nan 8.300 nan 0.000 0.610 597 G N 3.418 112.341 108.800 0.206 0.000 2.627 597 G HA2 -0.457 3.503 3.960 -0.001 0.000 0.312 597 G HA3 -0.457 3.503 3.960 -0.001 0.000 0.312 597 G C 1.103 176.090 174.900 0.145 0.000 1.299 597 G CA 0.669 45.873 45.100 0.174 0.000 0.989 597 G HN 0.689 nan 8.290 nan 0.000 0.547 598 N N 1.090 119.873 118.700 0.139 0.000 2.398 598 N HA 0.103 4.843 4.740 -0.001 0.000 0.188 598 N C 2.106 177.673 175.510 0.095 0.000 1.122 598 N CA 1.276 54.386 53.050 0.101 0.000 0.866 598 N CB -0.156 38.381 38.487 0.083 0.000 0.970 598 N HN 0.624 nan 8.380 nan 0.000 0.462 599 L N 0.498 121.798 121.223 0.127 0.000 1.960 599 L HA 0.022 4.362 4.340 -0.001 0.000 0.209 599 L C 1.222 178.141 176.870 0.081 0.000 1.090 599 L CA 1.389 56.283 54.840 0.090 0.000 0.759 599 L CB -0.951 41.167 42.059 0.098 0.000 0.892 599 L HN 0.297 nan 8.230 nan 0.000 0.436 600 T N -2.564 112.070 114.554 0.132 0.000 2.940 600 T HA 0.511 4.861 4.350 -0.001 0.000 0.288 600 T C -0.724 174.082 174.700 0.177 0.000 1.045 600 T CA -0.734 61.435 62.100 0.115 0.000 1.018 600 T CB 2.688 71.591 68.868 0.059 0.000 1.151 600 T HN 0.215 nan 8.240 nan 0.000 0.529 601 E N 0.787 121.065 120.200 0.130 0.000 2.317 601 E HA 0.516 4.865 4.350 -0.001 0.000 0.270 601 E C -1.098 175.563 176.600 0.103 0.000 0.899 601 E CA -0.878 55.598 56.400 0.126 0.000 0.814 601 E CB 1.815 31.563 29.700 0.079 0.000 1.296 601 E HN 0.780 nan 8.360 nan 0.000 0.404 602 V N 0.840 120.830 119.914 0.127 0.000 2.919 602 V HA 0.565 4.685 4.120 -0.001 0.000 0.316 602 V C -0.035 176.103 176.094 0.072 0.000 1.077 602 V CA -0.946 61.410 62.300 0.095 0.000 0.977 602 V CB 1.742 33.633 31.823 0.112 0.000 1.039 602 V HN 0.755 nan 8.190 nan 0.000 0.441 603 E N 1.546 121.778 120.200 0.054 0.000 2.344 603 E HA 0.505 4.855 4.350 -0.001 0.000 0.270 603 E C 0.274 176.900 176.600 0.043 0.000 1.021 603 E CA 0.100 56.526 56.400 0.042 0.000 0.887 603 E CB 0.944 30.664 29.700 0.034 0.000 0.997 603 E HN 1.141 nan 8.360 nan 0.000 0.429 604 G N 2.851 111.672 108.800 0.035 0.000 2.462 604 G HA2 0.221 4.181 3.960 -0.001 0.000 0.319 604 G HA3 0.221 4.181 3.960 -0.001 0.000 0.319 604 G C -0.968 173.948 174.900 0.027 0.000 1.171 604 G CA -0.540 44.577 45.100 0.029 0.000 0.920 604 G HN 0.522 nan 8.290 nan 0.000 0.499 605 Q N -0.105 119.710 119.800 0.024 0.000 2.303 605 Q HA 0.495 4.834 4.340 -0.001 0.000 0.257 605 Q C -0.711 175.301 176.000 0.019 0.000 0.941 605 Q CA -0.323 55.493 55.803 0.022 0.000 0.931 605 Q CB 1.526 30.277 28.738 0.021 0.000 1.215 605 Q HN 0.261 nan 8.270 nan 0.000 0.437 606 V N 3.318 123.243 119.914 0.019 0.000 2.427 606 V HA 0.651 4.771 4.120 -0.001 0.000 0.286 606 V C -0.553 175.549 176.094 0.014 0.000 1.034 606 V CA -0.487 61.824 62.300 0.019 0.000 0.893 606 V CB 1.727 33.564 31.823 0.022 0.000 0.982 606 V HN 0.764 nan 8.190 nan 0.000 0.452 607 S N 3.354 119.062 115.700 0.013 0.000 2.680 607 S HA 0.608 5.078 4.470 -0.001 0.000 0.262 607 S C 0.352 174.957 174.600 0.009 0.000 1.138 607 S CA 0.547 58.753 58.200 0.009 0.000 1.072 607 S CB 0.557 63.761 63.200 0.007 0.000 1.097 607 S HN 1.750 nan 8.310 nan 0.000 0.468 608 G N 4.115 112.920 108.800 0.008 0.000 2.602 608 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.310 608 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.310 608 G C 0.856 175.764 174.900 0.014 0.000 1.183 608 G CA 1.025 46.130 45.100 0.008 0.000 0.979 608 G HN 1.964 nan 8.290 nan 0.000 0.545 609 S N 0.439 116.148 115.700 0.016 0.000 2.602 609 S HA 0.508 4.977 4.470 -0.001 0.000 0.240 609 S C 0.445 175.059 174.600 0.022 0.000 0.992 609 S CA 0.602 58.818 58.200 0.026 0.000 0.971 609 S CB 0.446 63.661 63.200 0.026 0.000 0.855 609 S HN 0.765 nan 8.310 nan 0.000 0.481 610 Q N 0.981 120.790 119.800 0.014 0.000 2.256 610 Q HA 0.693 5.033 4.340 -0.001 0.000 0.257 610 Q C -1.320 174.687 176.000 0.012 0.000 0.936 610 Q CA -0.822 54.986 55.803 0.008 0.000 0.903 610 Q CB 2.318 31.056 28.738 0.001 0.000 1.263 610 Q HN 0.237 nan 8.270 nan 0.000 0.440 611 V N 3.322 123.239 119.914 0.006 0.000 2.577 611 V HA 0.376 4.496 4.120 -0.001 0.000 0.303 611 V C -0.693 175.402 176.094 0.002 0.000 1.042 611 V CA -0.814 61.489 62.300 0.005 0.000 0.872 611 V CB 1.723 33.544 31.823 -0.003 0.000 0.998 611 V HN 0.691 nan 8.190 nan 0.000 0.423 612 I N 3.633 124.210 120.570 0.012 0.000 2.353 612 I HA 0.551 4.720 4.170 -0.001 0.000 0.293 612 I C -0.059 176.075 176.117 0.028 0.000 0.992 612 I CA 0.031 61.344 61.300 0.021 0.000 1.268 612 I CB 1.278 39.294 38.000 0.027 0.000 1.387 612 I HN 0.639 nan 8.210 nan 0.000 0.478 613 c N 6.638 125.262 118.600 0.040 0.000 2.994 613 c HA 0.570 5.139 4.570 -0.001 0.000 0.305 613 c C 0.070 174.230 174.090 0.116 0.000 1.251 613 c CA -0.791 55.585 56.329 0.079 0.000 1.478 613 c CB 2.126 44.680 42.510 0.073 0.000 1.922 613 c HN 0.546 nan 8.230 nan 0.000 0.472 614 I N 2.202 122.846 120.570 0.123 0.000 2.331 614 I HA 0.284 4.454 4.170 -0.001 0.000 0.292 614 I C 0.796 176.919 176.117 0.009 0.000 0.998 614 I CA 0.271 61.615 61.300 0.073 0.000 1.267 614 I CB 1.334 39.359 38.000 0.042 0.000 1.386 614 I HN 0.740 nan 8.210 nan 0.000 0.476 615 S N 7.281 122.947 115.700 -0.056 0.000 2.550 615 S HA 0.103 4.572 4.470 -0.001 0.000 0.285 615 S C -2.231 172.175 174.600 -0.324 0.000 1.326 615 S CA -0.680 57.330 58.200 -0.316 0.000 1.037 615 S CB 0.312 63.493 63.200 -0.031 0.000 0.838 615 S HN 0.323 nan 8.310 nan 0.000 0.519 616 P HA 0.227 nan 4.420 nan 0.000 0.269 616 P C 0.310 177.552 177.300 -0.098 0.000 1.209 616 P CA -0.120 62.822 63.100 -0.263 0.000 0.776 616 P CB 0.135 31.672 31.700 -0.272 0.000 0.876 617 G N 3.105 111.850 108.800 -0.092 0.000 2.683 617 G HA2 0.116 4.076 3.960 -0.001 0.000 0.260 617 G HA3 0.116 4.076 3.960 -0.001 0.000 0.260 617 G C -1.426 173.327 174.900 -0.246 0.000 1.238 617 G CA -0.897 44.135 45.100 -0.113 0.000 0.934 617 G HN 0.326 nan 8.290 nan 0.000 0.534 618 P HA -0.077 nan 4.420 nan 0.000 0.216 618 P C 1.108 178.243 177.300 -0.276 0.000 1.150 618 P CA 1.106 63.887 63.100 -0.531 0.000 0.837 618 P CB 0.229 31.508 31.700 -0.702 0.000 0.786 619 K N -0.308 119.959 120.400 -0.223 0.000 2.505 619 K HA 0.033 4.352 4.320 -0.001 0.000 0.192 619 K C 0.656 177.166 176.600 -0.150 0.000 1.025 619 K CA 0.556 56.747 56.287 -0.159 0.000 1.086 619 K CB -0.068 32.357 32.500 -0.124 0.000 0.840 619 K HN 0.237 nan 8.250 nan 0.000 0.514 620 D N -0.063 120.233 120.400 -0.173 0.000 2.502 620 D HA -0.013 4.627 4.640 -0.001 0.000 0.232 620 D C 0.163 176.320 176.300 -0.239 0.000 1.137 620 D CA 0.115 54.015 54.000 -0.168 0.000 0.827 620 D CB 0.950 41.670 40.800 -0.133 0.000 1.141 620 D HN -0.070 nan 8.370 nan 0.000 0.517 621 V N 2.111 121.857 119.914 -0.279 0.000 2.458 621 V HA 0.181 4.301 4.120 -0.001 0.000 0.287 621 V C -1.934 173.879 176.094 -0.468 0.000 1.009 621 V CA -1.311 60.724 62.300 -0.442 0.000 1.091 621 V CB -0.467 31.165 31.823 -0.319 0.000 0.960 621 V HN -0.094 nan 8.190 nan 0.000 0.476 622 P HA 0.101 nan 4.420 nan 0.000 0.271 622 P C -0.194 176.779 177.300 -0.546 0.000 1.233 622 P CA 0.039 62.765 63.100 -0.624 0.000 0.795 622 P CB 0.547 31.753 31.700 -0.823 0.000 0.936 623 V N -0.758 118.807 119.914 -0.582 0.000 2.318 623 V HA 0.259 4.379 4.120 -0.001 0.000 0.271 623 V C 0.570 176.451 176.094 -0.355 0.000 1.030 623 V CA -1.129 60.947 62.300 -0.375 0.000 0.844 623 V CB 0.055 31.717 31.823 -0.268 0.000 1.015 623 V HN 0.235 nan 8.190 nan 0.000 0.460 624 I N 5.519 125.975 120.570 -0.191 0.000 2.845 624 I HA 0.152 4.322 4.170 -0.001 0.000 0.296 624 I C -0.993 175.096 176.117 -0.047 0.000 1.216 624 I CA -0.879 60.391 61.300 -0.050 0.000 1.438 624 I CB -0.383 37.633 38.000 0.027 0.000 1.342 624 I HN 0.493 nan 8.210 nan 0.000 0.577 629 D N -0.615 119.876 120.400 0.151 0.000 2.407 629 D HA 0.058 4.698 4.640 -0.001 0.000 0.208 629 D C -0.037 176.465 176.300 0.336 0.000 1.083 629 D CA 0.249 54.379 54.000 0.218 0.000 0.844 629 D CB 0.684 41.618 40.800 0.223 0.000 0.967 629 D HN 0.505 nan 8.370 nan 0.000 0.506 630 W N 0.070 121.452 121.300 0.137 0.000 3.032 630 W HA 0.649 5.309 4.660 -0.001 0.000 0.335 630 W C -2.213 174.439 176.519 0.222 0.000 1.154 630 W CA -1.908 55.547 57.345 0.182 0.000 1.204 630 W CB 0.339 29.875 29.460 0.127 0.000 1.416 630 W HN -0.245 nan 8.180 nan 0.000 0.521 631 F N 2.945 122.983 119.950 0.147 0.000 2.460 631 F HA 0.635 5.162 4.527 -0.001 0.000 0.341 631 F C 0.379 176.313 175.800 0.223 0.000 1.130 631 F CA -0.339 57.643 58.000 -0.031 0.000 0.962 631 F CB 1.221 40.225 39.000 0.008 0.000 1.171 631 F HN 0.557 nan 8.300 nan 0.000 0.436 632 G N 5.303 113.849 108.800 -0.424 0.000 2.539 632 G HA2 0.512 4.472 3.960 -0.001 0.000 0.258 632 G HA3 0.512 4.472 3.960 -0.001 0.000 0.258 632 G C -1.678 173.027 174.900 -0.326 0.000 1.202 632 G CA -0.268 44.799 45.100 -0.054 0.000 0.851 632 G HN 0.701 nan 8.290 nan 0.000 0.556 633 L N -0.885 120.355 121.223 0.028 0.000 2.801 633 L HA 0.609 4.948 4.340 -0.001 0.000 0.264 633 L C -1.406 175.553 176.870 0.149 0.000 1.086 633 L CA -0.766 54.150 54.840 0.127 0.000 0.920 633 L CB 2.305 44.610 42.059 0.410 0.000 1.529 633 L HN 0.404 nan 8.230 nan 0.000 0.399 634 E N 2.010 122.296 120.200 0.143 0.000 2.235 634 E HA 0.343 4.692 4.350 -0.001 0.000 0.252 634 E C -1.471 175.141 176.600 0.021 0.000 0.886 634 E CA -0.602 55.842 56.400 0.074 0.000 0.767 634 E CB 1.833 31.556 29.700 0.038 0.000 1.205 634 E HN 0.440 nan 8.360 nan 0.000 0.421 635 L N 3.550 124.744 121.223 -0.048 0.000 2.315 635 L HA 0.175 4.515 4.340 -0.001 0.000 0.283 635 L C -0.425 176.293 176.870 -0.253 0.000 1.089 635 L CA 0.345 55.018 54.840 -0.278 0.000 0.833 635 L CB 0.371 42.156 42.059 -0.456 0.000 1.170 635 L HN 0.330 nan 8.230 nan 0.000 0.442 636 Q N 5.046 124.689 119.800 -0.261 0.000 2.342 636 Q HA 0.622 4.961 4.340 -0.001 0.000 0.267 636 Q C -1.257 174.578 176.000 -0.276 0.000 1.038 636 Q CA -0.723 54.943 55.803 -0.228 0.000 0.832 636 Q CB 2.501 31.156 28.738 -0.139 0.000 1.323 636 Q HN 0.592 nan 8.270 nan 0.000 0.448 637 L N 1.600 122.603 121.223 -0.368 0.000 2.309 637 L HA 0.587 4.927 4.340 -0.001 0.000 0.282 637 L C -0.134 176.537 176.870 -0.331 0.000 1.036 637 L CA -0.681 53.930 54.840 -0.382 0.000 0.806 637 L CB 1.324 43.066 42.059 -0.527 0.000 1.220 637 L HN 0.445 nan 8.230 nan 0.000 0.429 638 R N 1.548 122.009 120.500 -0.065 0.000 2.445 638 R HA 0.350 4.689 4.340 -0.001 0.000 0.308 638 R C -0.536 175.939 176.300 0.291 0.000 0.961 638 R CA -0.350 55.816 56.100 0.111 0.000 0.862 638 R CB 1.881 32.216 30.300 0.059 0.000 1.144 638 R HN 0.650 nan 8.270 nan 0.000 0.447 639 S N 2.772 118.712 115.700 0.400 0.000 2.474 639 S HA 0.071 4.541 4.470 -0.001 0.000 0.276 639 S C 0.975 175.591 174.600 0.028 0.000 1.227 639 S CA -0.353 57.939 58.200 0.153 0.000 1.050 639 S CB 1.096 64.173 63.200 -0.205 0.000 0.939 639 S HN 0.788 nan 8.310 nan 0.000 0.490 640 K N 3.420 123.830 120.400 0.016 0.000 2.288 640 K HA -0.041 4.279 4.320 -0.001 0.000 0.201 640 K C 1.802 178.378 176.600 -0.039 0.000 1.048 640 K CA 1.228 57.513 56.287 -0.004 0.000 0.956 640 K CB -0.054 32.450 32.500 0.007 0.000 0.746 640 K HN 0.842 nan 8.250 nan 0.000 0.461 641 E N -0.260 119.893 120.200 -0.078 0.000 2.208 641 E HA -0.131 4.219 4.350 -0.001 0.000 0.193 641 E C 1.120 177.642 176.600 -0.130 0.000 0.988 641 E CA 1.625 57.965 56.400 -0.100 0.000 0.828 641 E CB 0.262 29.883 29.700 -0.132 0.000 0.763 641 E HN 0.458 nan 8.360 nan 0.000 0.478 642 T N -5.367 109.073 114.554 -0.189 0.000 2.954 642 T HA 0.328 4.678 4.350 -0.001 0.000 0.252 642 T C 1.427 176.040 174.700 -0.145 0.000 0.983 642 T CA 0.502 62.435 62.100 -0.277 0.000 0.941 642 T CB 0.905 69.351 68.868 -0.704 0.000 1.141 642 T HN 0.248 nan 8.240 nan 0.000 0.500 643 G N 1.957 110.711 108.800 -0.077 0.000 2.179 643 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.260 643 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.260 643 G C -0.084 174.822 174.900 0.009 0.000 0.977 643 G CA 0.130 45.221 45.100 -0.016 0.000 0.641 643 G HN 0.632 nan 8.290 nan 0.000 0.533 644 K N 0.593 120.990 120.400 -0.005 0.000 2.156 644 K HA 0.565 4.884 4.320 -0.001 0.000 0.271 644 K C 0.768 177.467 176.600 0.166 0.000 0.995 644 K CA -0.979 55.340 56.287 0.053 0.000 0.890 644 K CB 1.459 33.964 32.500 0.008 0.000 1.073 644 K HN 0.295 nan 8.250 nan 0.000 0.454 645 I N 4.532 125.178 120.570 0.127 0.000 2.598 645 I HA -0.045 4.125 4.170 -0.001 0.000 0.284 645 I C 0.828 177.048 176.117 0.172 0.000 1.140 645 I CA 0.311 61.668 61.300 0.096 0.000 1.420 645 I CB 0.036 38.053 38.000 0.028 0.000 1.387 645 I HN 0.645 nan 8.210 nan 0.000 0.553 646 F N 5.116 125.085 119.950 0.032 0.000 2.817 646 F HA 0.514 5.041 4.527 -0.001 0.000 0.333 646 F C -0.284 175.579 175.800 0.104 0.000 1.085 646 F CA -0.375 57.673 58.000 0.080 0.000 1.170 646 F CB 0.110 39.135 39.000 0.041 0.000 1.066 646 F HN 0.057 nan 8.300 nan 0.000 0.564 647 V N 0.591 120.247 119.914 -0.430 0.000 3.178 647 V HA 0.750 4.870 4.120 -0.001 0.000 0.302 647 V C -0.735 175.211 176.094 -0.246 0.000 1.262 647 V CA -0.415 61.730 62.300 -0.259 0.000 1.030 647 V CB 1.546 33.195 31.823 -0.290 0.000 1.074 647 V HN 0.381 nan 8.190 nan 0.000 0.438 648 S N 0.198 115.809 115.700 -0.147 0.000 2.565 648 S HA 0.863 5.332 4.470 -0.001 0.000 0.269 648 S C -1.023 173.525 174.600 -0.086 0.000 1.153 648 S CA -0.280 57.843 58.200 -0.129 0.000 0.835 648 S CB 2.269 65.415 63.200 -0.090 0.000 1.122 648 S HN 1.355 nan 8.310 nan 0.000 0.462 649 T N 0.179 114.690 114.554 -0.072 0.000 2.894 649 T HA 0.460 4.810 4.350 -0.001 0.000 0.309 649 T C -1.409 173.299 174.700 0.013 0.000 1.208 649 T CA -0.462 61.619 62.100 -0.031 0.000 1.016 649 T CB 1.857 70.707 68.868 -0.031 0.000 1.192 649 T HN 0.816 nan 8.240 nan 0.000 0.491 650 E N 2.087 122.308 120.200 0.035 0.000 2.384 650 E HA 0.353 4.703 4.350 -0.001 0.000 0.266 650 E C -1.407 175.287 176.600 0.157 0.000 1.012 650 E CA -0.181 56.265 56.400 0.076 0.000 0.901 650 E CB 0.418 30.142 29.700 0.042 0.000 0.967 650 E HN 0.433 nan 8.360 nan 0.000 0.435 651 F N 3.692 123.646 119.950 0.006 0.000 2.539 651 F HA 0.399 4.926 4.527 -0.001 0.000 0.318 651 F C -0.981 174.842 175.800 0.038 0.000 1.135 651 F CA -0.797 57.200 58.000 -0.006 0.000 0.915 651 F CB 1.267 40.260 39.000 -0.011 0.000 1.176 651 F HN 0.242 nan 8.300 nan 0.000 0.440 652 K N 5.487 125.474 120.400 -0.689 0.000 2.164 652 K HA 0.512 4.832 4.320 -0.001 0.000 0.258 652 K C -1.585 174.654 176.600 -0.602 0.000 0.951 652 K CA -0.672 55.408 56.287 -0.346 0.000 0.844 652 K CB 1.920 34.341 32.500 -0.131 0.000 1.099 652 K HN 0.448 nan 8.250 nan 0.000 0.435 653 F N 2.185 122.125 119.950 -0.016 0.000 2.480 653 F HA 0.387 4.913 4.527 -0.001 0.000 0.329 653 F C -0.188 175.695 175.800 0.139 0.000 1.091 653 F CA -0.476 57.506 58.000 -0.031 0.000 0.972 653 F CB 1.127 40.183 39.000 0.094 0.000 1.150 653 F HN 0.438 nan 8.300 nan 0.000 0.467 654 Y N 0.176 120.640 120.300 0.273 0.000 2.638 654 Y HA 0.653 5.202 4.550 -0.001 0.000 0.339 654 Y C -1.418 174.581 175.900 0.164 0.000 1.084 654 Y CA -2.080 56.148 58.100 0.213 0.000 1.068 654 Y CB 1.339 39.878 38.460 0.133 0.000 1.294 654 Y HN 0.476 nan 8.280 nan 0.000 0.480 655 N N 0.367 119.322 118.700 0.426 0.000 2.675 655 N HA 0.195 4.935 4.740 -0.001 0.000 0.254 655 N C -1.761 173.884 175.510 0.225 0.000 1.224 655 N CA -0.470 52.740 53.050 0.267 0.000 0.777 655 N CB 0.532 39.112 38.487 0.156 0.000 1.256 655 N HN 0.843 nan 8.380 nan 0.000 0.531 656 C N 2.064 121.510 119.300 0.243 0.000 3.479 656 C HA 0.402 4.861 4.460 -0.001 0.000 0.546 656 C C 0.218 175.260 174.990 0.087 0.000 1.207 656 C CA 0.124 59.217 59.018 0.124 0.000 1.334 656 C CB -2.803 24.994 27.740 0.095 0.000 1.611 656 C HN 0.597 nan 8.230 nan 0.000 0.640 657 S N 0.000 115.750 115.700 0.083 0.000 2.498 657 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 657 S CA 0.000 58.234 58.200 0.057 0.000 1.107 657 S CB 0.000 63.233 63.200 0.054 0.000 0.593 657 S HN 0.000 nan 8.310 nan 0.000 0.517