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 3hqq_1_Q DATA FIRST_RESID 1 DATA SEQUENCE SQLAHNLTLS IFDPVANYRA ARIICTIGPS TQSVEALKGL IQSGMSVARM DATA SEQUENCE NFSHGSHEYH QTTINNVRQA AAELGVNIAI ALDTKGPEIR TGQFVGGDAV DATA SEQUENCE MERGATCYVT TDPAFADKGT KDKFYIDYQN LSKVVRPGNY IYIDDGILIL DATA SEQUENCE QVQSHEDEQT LECTVTNSHT ISDRRGVNLP GCDVDLPAVS AKDRVDLQFG DATA SEQUENCE VEQGVDMIFA SFIRSAEQVG DVRKALGPKG RDIMIICKIE NHQGVQNIDS DATA SEQUENCE IIEESDGIMV ARGDLGVEIP AEKVVVAQKI LISKCNVAGK PVICATQMLE DATA SEQUENCE SMTYNPRPTR AEVSDVANAV FNGADCVMLS GETAKGKYPN EVVQYMARIC DATA SEQUENCE LEAQSALNEY VFFNSIKKLQ HIPMSADEAV CSSAVNSVYE TKAKAMVVLS DATA SEQUENCE NTGRSARLVA KYRPNCPIVC VTTRLQTCRQ LNITQGVESV FFDADKLGHD DATA SEQUENCE EGKEHRVAAG VEFAKSKGYV QTGDYCVVIH ADHKVKGYAN QTRILLVE 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.600 174.600 0.000 0.000 1.055 1 S CA 0.000 58.195 58.200 -0.008 0.000 1.107 1 S CB 0.000 63.198 63.200 -0.003 0.000 0.593 2 Q N 0.604 120.387 119.800 -0.027 0.000 2.224 2 Q HA 0.163 4.503 4.340 -0.000 0.000 0.203 2 Q C 1.606 177.621 176.000 0.025 0.000 0.970 2 Q CA 1.783 57.571 55.803 -0.026 0.000 0.865 2 Q CB -0.371 28.324 28.738 -0.073 0.000 0.922 2 Q HN 0.720 nan 8.270 nan 0.000 0.445 3 L N -0.568 120.661 121.223 0.011 0.000 1.994 3 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 3 L C 2.139 179.027 176.870 0.029 0.000 1.071 3 L CA 1.404 56.252 54.840 0.012 0.000 0.745 3 L CB -0.648 41.411 42.059 0.001 0.000 0.892 3 L HN 0.412 nan 8.230 nan 0.000 0.431 4 A N -0.917 121.928 122.820 0.042 0.000 1.877 4 A HA -0.338 3.982 4.320 -0.000 0.000 0.216 4 A C 2.023 179.639 177.584 0.053 0.000 1.186 4 A CA 1.974 54.035 52.037 0.041 0.000 0.620 4 A CB -1.042 17.985 19.000 0.045 0.000 0.822 4 A HN 0.655 nan 8.150 nan 0.000 0.443 5 H N 0.450 119.514 119.070 -0.010 0.000 2.390 5 H HA -0.141 4.415 4.556 0.000 0.000 0.298 5 H C 1.896 177.215 175.328 -0.015 0.000 1.106 5 H CA 2.063 58.106 56.048 -0.008 0.000 1.297 5 H CB -0.089 29.667 29.762 -0.010 0.000 1.375 5 H HN 0.420 nan 8.280 nan 0.000 0.509 6 N N 0.175 118.878 118.700 0.005 0.000 2.272 6 N HA -0.126 4.614 4.740 -0.000 0.000 0.185 6 N C 1.852 177.309 175.510 -0.089 0.000 1.014 6 N CA 1.103 54.119 53.050 -0.057 0.000 0.870 6 N CB -0.159 38.317 38.487 -0.018 0.000 0.975 6 N HN 0.450 nan 8.380 nan 0.000 0.433 7 L N 0.325 121.508 121.223 -0.067 0.000 2.217 7 L HA -0.065 4.275 4.340 -0.000 0.000 0.211 7 L C 2.185 179.014 176.870 -0.069 0.000 1.107 7 L CA 1.220 56.031 54.840 -0.049 0.000 0.783 7 L CB -0.582 41.464 42.059 -0.023 0.000 0.919 7 L HN 0.264 nan 8.230 nan 0.000 0.442 8 T N -2.474 112.004 114.554 -0.126 0.000 3.100 8 T HA 0.138 4.488 4.350 -0.000 0.000 0.253 8 T C 0.772 175.389 174.700 -0.139 0.000 1.118 8 T CA -0.170 61.853 62.100 -0.127 0.000 1.058 8 T CB -0.314 68.463 68.868 -0.152 0.000 0.953 8 T HN 0.042 nan 8.240 nan 0.000 0.515 9 L N 1.848 122.973 121.223 -0.163 0.000 2.452 9 L HA 0.525 4.865 4.340 -0.000 0.000 0.267 9 L C 0.495 177.348 176.870 -0.029 0.000 1.188 9 L CA -0.545 54.235 54.840 -0.101 0.000 0.821 9 L CB 0.919 42.923 42.059 -0.091 0.000 1.102 9 L HN 0.151 nan 8.230 nan 0.000 0.470 10 S N 0.995 116.699 115.700 0.007 0.000 2.541 10 S HA 0.383 4.853 4.470 -0.000 0.000 0.280 10 S C 0.711 175.345 174.600 0.055 0.000 1.112 10 S CA -0.898 57.328 58.200 0.045 0.000 0.925 10 S CB 1.427 64.672 63.200 0.075 0.000 1.067 10 S HN 0.612 nan 8.310 nan 0.000 0.479 11 I N 1.166 121.765 120.570 0.049 0.000 2.454 11 I HA 0.065 4.235 4.170 -0.000 0.000 0.254 11 I C 0.898 176.991 176.117 -0.041 0.000 1.156 11 I CA 1.639 62.935 61.300 -0.007 0.000 1.433 11 I CB -0.276 37.693 38.000 -0.052 0.000 1.082 11 I HN 0.551 nan 8.210 nan 0.000 0.432 12 F N 2.255 122.209 119.950 0.007 0.000 2.773 12 F HA 0.199 4.726 4.527 0.000 0.000 0.304 12 F C 0.448 176.253 175.800 0.008 0.000 1.129 12 F CA -0.540 57.464 58.000 0.007 0.000 1.378 12 F CB -0.478 38.525 39.000 0.004 0.000 1.095 12 F HN 0.079 nan 8.300 nan 0.000 0.565 13 D N 2.545 123.041 120.400 0.159 0.000 2.424 13 D HA 0.084 4.724 4.640 -0.000 0.000 0.244 13 D C -1.995 174.362 176.300 0.096 0.000 1.134 13 D CA -1.179 52.888 54.000 0.112 0.000 0.881 13 D CB 0.234 41.077 40.800 0.073 0.000 1.191 13 D HN 0.069 nan 8.370 nan 0.000 0.445 14 P HA 0.045 nan 4.420 nan 0.000 0.275 14 P C -0.012 177.318 177.300 0.049 0.000 1.227 14 P CA -0.536 62.608 63.100 0.072 0.000 0.781 14 P CB 0.810 32.554 31.700 0.072 0.000 0.906 15 V N 0.625 120.557 119.914 0.030 0.000 3.385 15 V HA 0.645 4.765 4.120 -0.000 0.000 0.301 15 V C 0.451 176.554 176.094 0.016 0.000 1.082 15 V CA -0.711 61.597 62.300 0.013 0.000 1.085 15 V CB -0.177 31.640 31.823 -0.009 0.000 1.152 15 V HN 0.754 nan 8.190 nan 0.000 0.465 16 A N 1.710 124.520 122.820 -0.016 0.000 2.346 16 A HA 0.305 4.625 4.320 -0.000 0.000 0.252 16 A C 1.119 178.729 177.584 0.045 0.000 1.089 16 A CA 0.035 52.067 52.037 -0.007 0.000 0.797 16 A CB -0.321 18.590 19.000 -0.148 0.000 1.047 16 A HN 1.127 nan 8.150 nan 0.000 0.494 17 N N -0.927 117.862 118.700 0.149 0.000 2.461 17 N HA 0.079 4.819 4.740 -0.000 0.000 0.188 17 N C -0.338 175.366 175.510 0.323 0.000 1.134 17 N CA 0.334 53.515 53.050 0.217 0.000 0.878 17 N CB -0.042 38.595 38.487 0.250 0.000 0.972 17 N HN 0.740 nan 8.380 nan 0.000 0.456 18 Y N -1.305 119.028 120.300 0.054 0.000 2.534 18 Y HA 0.498 5.048 4.550 -0.000 0.000 0.345 18 Y C -1.097 174.814 175.900 0.019 0.000 1.031 18 Y CA -1.626 56.497 58.100 0.038 0.000 1.022 18 Y CB 1.250 39.650 38.460 -0.099 0.000 1.292 18 Y HN -0.228 nan 8.280 nan 0.000 0.459 19 R N 2.772 123.266 120.500 -0.010 0.000 2.265 19 R HA 0.680 5.020 4.340 -0.000 0.000 0.328 19 R C 0.166 176.461 176.300 -0.009 0.000 0.969 19 R CA 0.232 56.273 56.100 -0.097 0.000 0.832 19 R CB 1.431 31.720 30.300 -0.019 0.000 1.139 19 R HN 1.071 nan 8.270 nan 0.000 0.457 20 A N 4.408 127.171 122.820 -0.096 0.000 1.873 20 A HA 0.050 4.370 4.320 -0.000 0.000 0.215 20 A C 0.988 178.592 177.584 0.034 0.000 1.186 20 A CA 1.265 53.325 52.037 0.039 0.000 0.616 20 A CB -0.339 18.669 19.000 0.014 0.000 0.823 20 A HN 0.772 nan 8.150 nan 0.000 0.442 21 A N 0.201 123.020 122.820 -0.002 0.000 2.386 21 A HA 0.530 4.850 4.320 -0.000 0.000 0.248 21 A C 0.297 177.894 177.584 0.022 0.000 1.082 21 A CA -0.366 51.674 52.037 0.005 0.000 0.789 21 A CB 0.206 19.198 19.000 -0.015 0.000 1.025 21 A HN 0.413 nan 8.150 nan 0.000 0.490 22 R N 0.736 121.253 120.500 0.028 0.000 2.589 22 R HA 0.581 4.921 4.340 -0.000 0.000 0.293 22 R C -1.153 175.170 176.300 0.039 0.000 0.963 22 R CA -0.445 55.679 56.100 0.040 0.000 0.905 22 R CB 1.344 31.674 30.300 0.050 0.000 1.144 22 R HN 0.676 nan 8.270 nan 0.000 0.459 23 I N 3.434 124.032 120.570 0.046 0.000 2.404 23 I HA 0.431 4.601 4.170 -0.000 0.000 0.293 23 I C 0.149 176.304 176.117 0.064 0.000 0.992 23 I CA -0.587 60.742 61.300 0.048 0.000 1.149 23 I CB 1.498 39.525 38.000 0.043 0.000 1.315 23 I HN 0.296 nan 8.210 nan 0.000 0.446 24 I N 5.048 125.661 120.570 0.072 0.000 2.404 24 I HA 0.440 4.610 4.170 -0.000 0.000 0.293 24 I C -0.825 175.348 176.117 0.094 0.000 0.992 24 I CA -0.474 60.887 61.300 0.102 0.000 1.149 24 I CB 1.697 39.781 38.000 0.139 0.000 1.315 24 I HN 0.515 nan 8.210 nan 0.000 0.446 25 C N 3.428 122.786 119.300 0.098 0.000 2.408 25 C HA 0.494 4.954 4.460 -0.000 0.000 0.321 25 C C 0.454 175.507 174.990 0.104 0.000 1.245 25 C CA -0.579 58.492 59.018 0.087 0.000 1.523 25 C CB 1.488 29.269 27.740 0.069 0.000 2.178 25 C HN 0.697 nan 8.230 nan 0.000 0.488 26 T N 4.582 119.198 114.554 0.104 0.000 2.817 26 T HA 0.408 4.758 4.350 -0.000 0.000 0.293 26 T C 0.038 174.804 174.700 0.110 0.000 0.964 26 T CA -0.162 62.011 62.100 0.122 0.000 1.085 26 T CB 0.288 69.228 68.868 0.120 0.000 0.921 26 T HN 0.383 nan 8.240 nan 0.000 0.502 27 I N 3.421 124.073 120.570 0.137 0.000 2.312 27 I HA 0.548 4.718 4.170 -0.000 0.000 0.290 27 I C 0.839 177.064 176.117 0.180 0.000 1.008 27 I CA -0.234 61.145 61.300 0.132 0.000 1.226 27 I CB 0.494 38.565 38.000 0.119 0.000 1.371 27 I HN 0.791 nan 8.210 nan 0.000 0.468 28 G N 6.972 115.856 108.800 0.140 0.000 3.222 28 G HA2 0.548 4.508 3.960 -0.000 0.000 0.263 28 G HA3 0.548 4.508 3.960 -0.000 0.000 0.263 28 G C -2.408 172.580 174.900 0.147 0.000 1.312 28 G CA -0.624 44.568 45.100 0.153 0.000 0.934 28 G HN 0.251 nan 8.290 nan 0.000 0.577 29 P HA -0.015 nan 4.420 nan 0.000 0.216 29 P C 2.056 179.385 177.300 0.048 0.000 1.150 29 P CA 1.551 64.706 63.100 0.092 0.000 0.837 29 P CB 0.153 31.873 31.700 0.033 0.000 0.786 30 S N -1.157 114.558 115.700 0.026 0.000 2.419 30 S HA -0.082 4.388 4.470 -0.000 0.000 0.233 30 S C 1.452 176.062 174.600 0.017 0.000 1.016 30 S CA 1.866 60.071 58.200 0.009 0.000 0.974 30 S CB -0.922 62.273 63.200 -0.008 0.000 0.786 30 S HN 0.375 nan 8.310 nan 0.000 0.492 31 T N -1.630 112.944 114.554 0.033 0.000 3.091 31 T HA 0.299 4.649 4.350 -0.000 0.000 0.277 31 T C 1.109 175.823 174.700 0.024 0.000 0.996 31 T CA -0.358 61.760 62.100 0.030 0.000 0.897 31 T CB 0.229 69.120 68.868 0.038 0.000 1.109 31 T HN 0.178 nan 8.240 nan 0.000 0.534 32 Q N 2.241 122.053 119.800 0.019 0.000 2.167 32 Q HA -0.002 4.338 4.340 -0.000 0.000 0.202 32 Q C 1.177 177.157 176.000 -0.033 0.000 0.970 32 Q CA 0.800 56.590 55.803 -0.023 0.000 0.855 32 Q CB 0.020 28.714 28.738 -0.073 0.000 0.911 32 Q HN 0.669 nan 8.270 nan 0.000 0.438 33 S N -1.078 114.612 115.700 -0.016 0.000 2.572 33 S HA 0.037 4.507 4.470 -0.000 0.000 0.279 33 S C 1.240 175.835 174.600 -0.009 0.000 1.341 33 S CA -0.507 57.683 58.200 -0.016 0.000 1.043 33 S CB 1.482 64.678 63.200 -0.007 0.000 0.887 33 S HN 0.113 nan 8.310 nan 0.000 0.516 34 V N 2.258 122.166 119.914 -0.011 0.000 2.407 34 V HA -0.117 4.003 4.120 -0.000 0.000 0.248 34 V C 2.787 178.882 176.094 0.001 0.000 1.055 34 V CA 2.377 64.674 62.300 -0.006 0.000 1.049 34 V CB -1.160 30.658 31.823 -0.007 0.000 0.662 34 V HN 0.957 nan 8.190 nan 0.000 0.455 35 E N 0.319 120.519 120.200 0.001 0.000 2.077 35 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 35 E C 2.218 178.824 176.600 0.009 0.000 0.989 35 E CA 1.509 57.912 56.400 0.005 0.000 0.800 35 E CB -0.530 29.172 29.700 0.004 0.000 0.746 35 E HN 0.547 nan 8.360 nan 0.000 0.452 36 A N 0.181 123.006 122.820 0.008 0.000 1.902 36 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 36 A C 2.263 179.857 177.584 0.017 0.000 1.181 36 A CA 1.243 53.288 52.037 0.013 0.000 0.623 36 A CB -0.681 18.326 19.000 0.011 0.000 0.818 36 A HN 0.295 nan 8.150 nan 0.000 0.443 37 L N -1.181 120.051 121.223 0.015 0.000 2.083 37 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 37 L C 2.593 179.475 176.870 0.020 0.000 1.083 37 L CA 1.711 56.562 54.840 0.018 0.000 0.752 37 L CB -0.354 41.712 42.059 0.013 0.000 0.899 37 L HN 0.322 nan 8.230 nan 0.000 0.433 38 K N -0.025 120.385 120.400 0.016 0.000 2.097 38 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 38 K C 2.054 178.667 176.600 0.022 0.000 1.049 38 K CA 1.276 57.573 56.287 0.018 0.000 0.933 38 K CB -0.424 32.085 32.500 0.014 0.000 0.717 38 K HN 0.349 nan 8.250 nan 0.000 0.442 39 G N 0.501 109.314 108.800 0.022 0.000 2.418 39 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 39 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 39 G C 1.298 176.217 174.900 0.031 0.000 1.158 39 G CA 0.512 45.627 45.100 0.026 0.000 0.771 39 G HN 0.092 nan 8.290 nan 0.000 0.545 40 L N 0.468 121.710 121.223 0.032 0.000 2.046 40 L HA 0.109 4.449 4.340 -0.000 0.000 0.208 40 L C 2.788 179.681 176.870 0.038 0.000 1.077 40 L CA 1.080 55.943 54.840 0.037 0.000 0.747 40 L CB -0.519 41.563 42.059 0.038 0.000 0.896 40 L HN 0.205 nan 8.230 nan 0.000 0.432 41 I N -1.251 119.340 120.570 0.035 0.000 2.226 41 I HA -0.332 3.838 4.170 -0.000 0.000 0.245 41 I C 2.452 178.591 176.117 0.038 0.000 1.100 41 I CA 1.141 62.464 61.300 0.037 0.000 1.374 41 I CB -0.202 37.818 38.000 0.033 0.000 1.057 41 I HN 0.368 nan 8.210 nan 0.000 0.413 42 Q N -0.237 119.583 119.800 0.033 0.000 2.167 42 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 42 Q C 2.305 178.324 176.000 0.032 0.000 0.970 42 Q CA 1.501 57.323 55.803 0.032 0.000 0.855 42 Q CB -0.085 28.669 28.738 0.027 0.000 0.911 42 Q HN 0.406 nan 8.270 nan 0.000 0.438 43 S N -1.062 114.658 115.700 0.033 0.000 2.453 43 S HA 0.031 4.501 4.470 -0.000 0.000 0.231 43 S C 1.168 175.789 174.600 0.035 0.000 1.005 43 S CA 0.910 59.130 58.200 0.033 0.000 0.949 43 S CB 0.397 63.621 63.200 0.039 0.000 0.774 43 S HN 0.656 nan 8.310 nan 0.000 0.510 44 G N 1.071 109.895 108.800 0.040 0.000 2.200 44 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.145 44 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.145 44 G C -0.046 174.883 174.900 0.048 0.000 1.021 44 G CA -0.202 44.924 45.100 0.044 0.000 0.720 44 G HN 0.408 nan 8.290 nan 0.000 0.494 45 M N 1.350 120.979 119.600 0.048 0.000 2.188 45 M HA 0.600 5.080 4.480 -0.000 0.000 0.354 45 M C 0.939 177.271 176.300 0.053 0.000 1.342 45 M CA 0.422 55.753 55.300 0.052 0.000 1.117 45 M CB 1.000 33.631 32.600 0.050 0.000 1.670 45 M HN -0.032 nan 8.290 nan 0.000 0.466 46 S N 3.313 119.048 115.700 0.058 0.000 2.506 46 S HA 0.231 4.701 4.470 -0.000 0.000 0.219 46 S C -0.047 174.587 174.600 0.057 0.000 1.031 46 S CA -0.316 57.919 58.200 0.058 0.000 0.911 46 S CB 0.495 63.732 63.200 0.062 0.000 0.812 46 S HN 0.642 nan 8.310 nan 0.000 0.497 47 V N 1.626 121.580 119.914 0.067 0.000 2.638 47 V HA 0.779 4.899 4.120 -0.000 0.000 0.306 47 V C -0.666 175.471 176.094 0.072 0.000 1.052 47 V CA -1.129 61.214 62.300 0.071 0.000 0.885 47 V CB 1.458 33.349 31.823 0.114 0.000 0.999 47 V HN 0.259 nan 8.190 nan 0.000 0.424 48 A N 4.588 127.437 122.820 0.048 0.000 2.276 48 A HA 0.802 5.122 4.320 -0.000 0.000 0.316 48 A C -0.139 177.471 177.584 0.043 0.000 1.229 48 A CA -0.618 51.452 52.037 0.055 0.000 0.851 48 A CB 0.709 19.737 19.000 0.046 0.000 1.165 48 A HN 0.867 nan 8.150 nan 0.000 0.513 49 R N 3.290 123.841 120.500 0.085 0.000 2.338 49 R HA 0.635 4.975 4.340 -0.000 0.000 0.317 49 R C -1.061 175.313 176.300 0.123 0.000 0.968 49 R CA -0.384 55.767 56.100 0.085 0.000 0.849 49 R CB 0.752 31.177 30.300 0.209 0.000 1.128 49 R HN 0.783 nan 8.270 nan 0.000 0.448 50 M N 3.546 123.208 119.600 0.104 0.000 2.205 50 M HA 0.254 4.734 4.480 -0.000 0.000 0.344 50 M C -0.412 175.986 176.300 0.163 0.000 1.085 50 M CA -0.856 54.541 55.300 0.161 0.000 1.001 50 M CB 1.672 34.357 32.600 0.141 0.000 1.626 50 M HN 0.410 nan 8.290 nan 0.000 0.442 51 N N 2.146 120.989 118.700 0.238 0.000 2.426 51 N HA 0.259 4.999 4.740 -0.000 0.000 0.257 51 N C -0.572 175.088 175.510 0.250 0.000 1.002 51 N CA -0.248 52.965 53.050 0.270 0.000 0.942 51 N CB 0.569 39.253 38.487 0.329 0.000 1.112 51 N HN 0.508 nan 8.380 nan 0.000 0.499 52 F N 1.209 121.135 119.950 -0.040 0.000 2.811 52 F HA 0.128 4.655 4.527 -0.000 0.000 0.301 52 F C 2.068 177.879 175.800 0.018 0.000 1.151 52 F CA 0.162 58.156 58.000 -0.011 0.000 1.412 52 F CB 0.077 39.038 39.000 -0.064 0.000 1.113 52 F HN 0.459 nan 8.300 nan 0.000 0.579 53 S N -1.660 114.064 115.700 0.041 0.000 2.481 53 S HA -0.054 4.416 4.470 -0.000 0.000 0.231 53 S C 0.145 174.476 174.600 -0.447 0.000 0.996 53 S CA 0.684 58.736 58.200 -0.246 0.000 0.942 53 S CB -0.403 62.547 63.200 -0.416 0.000 0.768 53 S HN 0.392 nan 8.310 nan 0.000 0.520 54 H N -1.142 117.971 119.070 0.072 0.000 2.747 54 H HA 0.608 5.164 4.556 -0.000 0.000 0.371 54 H C 0.666 175.944 175.328 -0.083 0.000 1.161 54 H CA -0.085 55.949 56.048 -0.024 0.000 1.167 54 H CB 1.370 31.110 29.762 -0.037 0.000 1.732 54 H HN 0.217 nan 8.280 nan 0.000 0.544 55 G N 0.626 109.322 108.800 -0.174 0.000 2.642 55 G HA2 0.054 4.014 3.960 -0.000 0.000 0.231 55 G HA3 0.054 4.014 3.960 -0.000 0.000 0.231 55 G C -0.489 174.260 174.900 -0.252 0.000 1.338 55 G CA -0.217 44.620 45.100 -0.438 0.000 0.883 55 G HN 1.276 nan 8.290 nan 0.000 0.570 56 S N -3.296 112.247 115.700 -0.261 0.000 2.672 56 S HA 0.647 5.117 4.470 -0.000 0.000 0.271 56 S C 0.526 175.083 174.600 -0.072 0.000 1.171 56 S CA 0.321 58.445 58.200 -0.127 0.000 0.817 56 S CB 1.249 64.387 63.200 -0.104 0.000 1.150 56 S HN 0.931 nan 8.310 nan 0.000 0.478 57 H N 0.172 119.085 119.070 -0.260 0.000 2.387 57 H HA -0.039 4.517 4.556 -0.000 0.000 0.299 57 H C 1.983 177.213 175.328 -0.164 0.000 1.090 57 H CA 1.622 57.400 56.048 -0.451 0.000 1.332 57 H CB 0.149 29.553 29.762 -0.595 0.000 1.386 57 H HN 0.769 nan 8.280 nan 0.000 0.516 58 E N 0.580 120.814 120.200 0.058 0.000 2.051 58 E HA -0.219 4.131 4.350 -0.000 0.000 0.192 58 E C 1.938 178.564 176.600 0.044 0.000 0.991 58 E CA 0.934 57.375 56.400 0.068 0.000 0.799 58 E CB -0.079 29.648 29.700 0.045 0.000 0.748 58 E HN 0.455 nan 8.360 nan 0.000 0.449 59 Y N 0.752 120.965 120.300 -0.145 0.000 2.145 59 Y HA -0.247 4.303 4.550 -0.000 0.000 0.286 59 Y C 2.287 178.067 175.900 -0.200 0.000 1.145 59 Y CA 2.068 60.037 58.100 -0.219 0.000 1.148 59 Y CB -0.188 38.047 38.460 -0.374 0.000 0.981 59 Y HN 0.198 nan 8.280 nan 0.000 0.507 60 H N -0.698 118.389 119.070 0.029 0.000 2.423 60 H HA -0.138 4.418 4.556 -0.000 0.000 0.297 60 H C 2.061 177.444 175.328 0.092 0.000 1.075 60 H CA 1.584 57.639 56.048 0.011 0.000 1.342 60 H CB -0.280 29.418 29.762 -0.107 0.000 1.395 60 H HN 0.401 nan 8.280 nan 0.000 0.530 61 Q N 0.716 120.664 119.800 0.248 0.000 2.084 61 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 61 Q C 2.074 178.115 176.000 0.068 0.000 0.978 61 Q CA 1.967 57.912 55.803 0.235 0.000 0.844 61 Q CB -0.224 28.675 28.738 0.269 0.000 0.898 61 Q HN 0.299 nan 8.270 nan 0.000 0.426 62 T N -0.421 114.110 114.554 -0.037 0.000 2.746 62 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 62 T C 1.716 176.353 174.700 -0.105 0.000 1.039 62 T CA 1.700 63.737 62.100 -0.104 0.000 1.142 62 T CB -0.576 68.160 68.868 -0.219 0.000 0.866 62 T HN 0.373 nan 8.240 nan 0.000 0.444 63 T N 1.936 116.416 114.554 -0.123 0.000 2.746 63 T HA 0.040 4.390 4.350 -0.000 0.000 0.267 63 T C 1.968 176.674 174.700 0.009 0.000 1.039 63 T CA 0.849 62.916 62.100 -0.057 0.000 1.142 63 T CB -0.390 68.484 68.868 0.011 0.000 0.866 63 T HN 0.321 nan 8.240 nan 0.000 0.444 64 I N 1.516 122.114 120.570 0.046 0.000 2.179 64 I HA -0.199 3.971 4.170 -0.000 0.000 0.242 64 I C 2.339 178.459 176.117 0.005 0.000 1.088 64 I CA 0.987 62.308 61.300 0.036 0.000 1.357 64 I CB -0.323 37.706 38.000 0.050 0.000 1.051 64 I HN 0.174 nan 8.210 nan 0.000 0.409 65 N N 1.035 119.735 118.700 0.001 0.000 2.142 65 N HA -0.151 4.589 4.740 -0.000 0.000 0.186 65 N C 1.552 177.053 175.510 -0.015 0.000 1.023 65 N CA 1.253 54.297 53.050 -0.010 0.000 0.852 65 N CB -0.689 37.793 38.487 -0.010 0.000 0.998 65 N HN 0.316 nan 8.380 nan 0.000 0.424 66 N N 0.416 119.103 118.700 -0.021 0.000 2.166 66 N HA -0.066 4.674 4.740 -0.000 0.000 0.186 66 N C 1.785 177.289 175.510 -0.010 0.000 1.019 66 N CA 0.432 53.470 53.050 -0.020 0.000 0.856 66 N CB -0.498 37.969 38.487 -0.033 0.000 0.993 66 N HN 0.040 nan 8.380 nan 0.000 0.426 67 V N 0.990 120.901 119.914 -0.005 0.000 2.307 67 V HA -0.172 3.948 4.120 -0.000 0.000 0.245 67 V C 2.273 178.364 176.094 -0.005 0.000 1.045 67 V CA 1.502 63.803 62.300 0.001 0.000 1.024 67 V CB -0.352 31.475 31.823 0.008 0.000 0.651 67 V HN 0.220 nan 8.190 nan 0.000 0.449 68 R N -0.443 120.051 120.500 -0.012 0.000 2.081 68 R HA -0.197 4.143 4.340 -0.000 0.000 0.235 68 R C 2.464 178.755 176.300 -0.015 0.000 1.131 68 R CA 1.740 57.829 56.100 -0.018 0.000 0.960 68 R CB -0.348 29.937 30.300 -0.025 0.000 0.856 68 R HN 0.574 nan 8.270 nan 0.000 0.436 69 Q N 0.072 119.864 119.800 -0.013 0.000 2.084 69 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 69 Q C 2.000 177.996 176.000 -0.006 0.000 0.978 69 Q CA 1.641 57.438 55.803 -0.010 0.000 0.844 69 Q CB -0.046 28.686 28.738 -0.010 0.000 0.898 69 Q HN 0.389 nan 8.270 nan 0.000 0.426 70 A N 0.689 123.507 122.820 -0.003 0.000 1.898 70 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 70 A C 2.255 179.842 177.584 0.005 0.000 1.181 70 A CA 1.619 53.657 52.037 0.002 0.000 0.620 70 A CB -0.875 18.128 19.000 0.005 0.000 0.819 70 A HN 0.537 nan 8.150 nan 0.000 0.442 71 A N -0.131 122.691 122.820 0.003 0.000 1.902 71 A HA 0.175 4.495 4.320 -0.000 0.000 0.217 71 A C 2.496 180.081 177.584 0.002 0.000 1.181 71 A CA 2.036 54.075 52.037 0.004 0.000 0.623 71 A CB -0.985 18.014 19.000 -0.001 0.000 0.818 71 A HN 1.037 nan 8.150 nan 0.000 0.443 72 A N -0.333 122.484 122.820 -0.005 0.000 1.902 72 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 72 A C 1.904 179.489 177.584 0.001 0.000 1.181 72 A CA 1.700 53.733 52.037 -0.006 0.000 0.623 72 A CB -0.521 18.472 19.000 -0.012 0.000 0.818 72 A HN 0.616 nan 8.150 nan 0.000 0.443 73 E N -0.744 119.458 120.200 0.002 0.000 2.204 73 E HA -0.045 4.305 4.350 -0.000 0.000 0.195 73 E C 1.244 177.850 176.600 0.010 0.000 0.990 73 E CA 0.717 57.120 56.400 0.005 0.000 0.821 73 E CB -0.089 29.614 29.700 0.004 0.000 0.750 73 E HN 0.598 nan 8.360 nan 0.000 0.477 74 L N -0.830 120.401 121.223 0.013 0.000 2.693 74 L HA 0.238 4.578 4.340 -0.000 0.000 0.235 74 L C 0.868 177.754 176.870 0.026 0.000 1.127 74 L CA -0.009 54.843 54.840 0.020 0.000 0.914 74 L CB 0.574 42.646 42.059 0.022 0.000 1.193 74 L HN 0.168 nan 8.230 nan 0.000 0.502 75 G N 1.692 110.506 108.800 0.023 0.000 2.338 75 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.296 75 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.296 75 G C -0.046 174.879 174.900 0.041 0.000 1.040 75 G CA 0.509 45.627 45.100 0.031 0.000 1.004 75 G HN 0.285 nan 8.290 nan 0.000 0.509 76 V N -3.843 116.089 119.914 0.031 0.000 3.130 76 V HA 0.788 4.908 4.120 -0.000 0.000 0.310 76 V C -0.335 175.768 176.094 0.016 0.000 1.158 76 V CA -1.959 60.362 62.300 0.037 0.000 1.029 76 V CB 2.248 34.098 31.823 0.045 0.000 1.057 76 V HN 0.160 nan 8.190 nan 0.000 0.436 77 N N 2.138 120.847 118.700 0.015 0.000 2.424 77 N HA 0.596 5.336 4.740 -0.000 0.000 0.271 77 N C -1.381 174.133 175.510 0.006 0.000 0.985 77 N CA -0.326 52.721 53.050 -0.006 0.000 0.921 77 N CB 1.993 40.469 38.487 -0.020 0.000 1.149 77 N HN 0.574 nan 8.380 nan 0.000 0.492 78 I N 1.578 122.148 120.570 -0.001 0.000 2.406 78 I HA 0.319 4.489 4.170 -0.000 0.000 0.290 78 I C 0.573 176.688 176.117 -0.002 0.000 0.999 78 I CA -1.070 60.235 61.300 0.009 0.000 1.124 78 I CB 1.090 39.098 38.000 0.013 0.000 1.289 78 I HN 0.378 nan 8.210 nan 0.000 0.441 79 A N 7.584 130.407 122.820 0.005 0.000 2.445 79 A HA 0.553 4.873 4.320 -0.000 0.000 0.242 79 A C -0.087 177.484 177.584 -0.021 0.000 1.075 79 A CA 0.005 52.037 52.037 -0.009 0.000 0.777 79 A CB 0.206 19.210 19.000 0.006 0.000 1.013 79 A HN 0.648 nan 8.150 nan 0.000 0.493 80 I N 1.429 121.970 120.570 -0.048 0.000 2.406 80 I HA 0.515 4.685 4.170 -0.000 0.000 0.290 80 I C 0.399 176.433 176.117 -0.138 0.000 0.999 80 I CA -0.131 61.130 61.300 -0.064 0.000 1.124 80 I CB 1.844 39.815 38.000 -0.048 0.000 1.289 80 I HN 0.704 nan 8.210 nan 0.000 0.441 81 A N 7.359 130.054 122.820 -0.208 0.000 2.342 81 A HA 0.710 5.030 4.320 -0.000 0.000 0.323 81 A C -1.080 176.278 177.584 -0.377 0.000 1.125 81 A CA -0.525 51.240 52.037 -0.455 0.000 0.785 81 A CB 1.319 19.771 19.000 -0.913 0.000 1.221 81 A HN 0.752 nan 8.150 nan 0.000 0.463 82 L N 2.471 123.465 121.223 -0.382 0.000 2.280 82 L HA 0.406 4.746 4.340 -0.000 0.000 0.287 82 L C -0.929 175.779 176.870 -0.270 0.000 1.023 82 L CA -0.524 54.130 54.840 -0.310 0.000 0.819 82 L CB 0.966 42.791 42.059 -0.389 0.000 1.212 82 L HN 0.685 nan 8.230 nan 0.000 0.420 83 D N 4.285 124.622 120.400 -0.105 0.000 2.456 83 D HA 0.125 4.765 4.640 -0.000 0.000 0.219 83 D C 0.008 176.360 176.300 0.087 0.000 1.126 83 D CA -0.152 53.895 54.000 0.078 0.000 0.890 83 D CB 1.091 42.020 40.800 0.214 0.000 1.025 83 D HN 0.615 nan 8.370 nan 0.000 0.511 84 T N 0.596 115.169 114.554 0.031 0.000 2.900 84 T HA 0.045 4.395 4.350 -0.000 0.000 0.307 84 T C 1.322 176.080 174.700 0.097 0.000 1.065 84 T CA -0.377 61.746 62.100 0.039 0.000 1.105 84 T CB 1.952 70.823 68.868 0.004 0.000 0.979 84 T HN 0.356 nan 8.240 nan 0.000 0.544 85 K N 1.931 122.397 120.400 0.110 0.000 2.025 85 K HA 0.158 4.478 4.320 -0.000 0.000 0.207 85 K C 1.181 177.793 176.600 0.021 0.000 1.049 85 K CA 1.096 57.412 56.287 0.048 0.000 0.933 85 K CB -1.006 31.519 32.500 0.042 0.000 0.714 85 K HN 1.191 nan 8.250 nan 0.000 0.438 86 G N 0.862 109.686 108.800 0.040 0.000 2.795 86 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.664 86 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.664 86 G C -2.706 172.201 174.900 0.012 0.000 1.381 86 G CA -0.466 44.660 45.100 0.043 0.000 0.853 86 G HN 0.218 nan 8.290 nan 0.000 0.545 87 P HA 0.316 nan 4.420 nan 0.000 0.271 87 P C -0.286 176.947 177.300 -0.111 0.000 1.216 87 P CA 0.520 63.620 63.100 0.001 0.000 0.771 87 P CB 0.855 32.599 31.700 0.075 0.000 0.864 88 E N 1.927 122.067 120.200 -0.101 0.000 2.288 88 E HA 0.509 4.859 4.350 -0.000 0.000 0.268 88 E C -0.444 176.091 176.600 -0.109 0.000 0.885 88 E CA -0.880 55.435 56.400 -0.141 0.000 0.767 88 E CB 1.933 31.579 29.700 -0.090 0.000 1.220 88 E HN 0.375 nan 8.360 nan 0.000 0.427 89 I N 2.615 123.107 120.570 -0.129 0.000 2.336 89 I HA 0.385 4.555 4.170 -0.000 0.000 0.292 89 I C 0.075 176.181 176.117 -0.017 0.000 0.991 89 I CA -0.465 60.792 61.300 -0.071 0.000 1.227 89 I CB 0.793 38.738 38.000 -0.092 0.000 1.366 89 I HN 0.225 nan 8.210 nan 0.000 0.466 90 R N 3.137 123.645 120.500 0.013 0.000 2.795 90 R HA 0.469 4.809 4.340 -0.000 0.000 0.275 90 R C -0.313 176.024 176.300 0.061 0.000 0.981 90 R CA -0.751 55.376 56.100 0.046 0.000 0.917 90 R CB 2.545 32.873 30.300 0.047 0.000 1.202 90 R HN 0.725 nan 8.270 nan 0.000 0.469 91 T N -1.127 113.500 114.554 0.120 0.000 2.766 91 T HA 0.292 4.642 4.350 -0.000 0.000 0.295 91 T C 0.919 175.691 174.700 0.119 0.000 1.024 91 T CA -0.326 61.875 62.100 0.169 0.000 1.018 91 T CB 1.033 70.060 68.868 0.266 0.000 1.002 91 T HN 0.614 nan 8.240 nan 0.000 0.532 92 G N -0.018 108.875 108.800 0.155 0.000 2.504 92 G HA2 0.441 4.401 3.960 -0.000 0.000 0.257 92 G HA3 0.441 4.401 3.960 -0.000 0.000 0.257 92 G C -0.383 174.363 174.900 -0.257 0.000 1.451 92 G CA -0.889 44.275 45.100 0.106 0.000 1.059 92 G HN 0.875 nan 8.290 nan 0.000 0.550 93 Q N -0.806 118.847 119.800 -0.245 0.000 2.260 93 Q HA 0.426 4.766 4.340 -0.000 0.000 0.242 93 Q C -1.345 174.347 176.000 -0.514 0.000 0.932 93 Q CA 0.017 55.649 55.803 -0.285 0.000 0.891 93 Q CB 1.593 30.272 28.738 -0.099 0.000 1.222 93 Q HN 0.340 nan 8.270 nan 0.000 0.453 94 F N -0.302 119.667 119.950 0.033 0.000 2.458 94 F HA 0.301 4.828 4.527 -0.000 0.000 0.330 94 F C 0.213 176.027 175.800 0.024 0.000 1.082 94 F CA -1.196 56.819 58.000 0.026 0.000 0.995 94 F CB 0.959 39.935 39.000 -0.039 0.000 1.170 94 F HN 0.173 nan 8.300 nan 0.000 0.478 95 V N 2.055 122.100 119.914 0.218 0.000 2.673 95 V HA 0.298 4.418 4.120 -0.000 0.000 0.303 95 V C 0.970 177.128 176.094 0.107 0.000 1.046 95 V CA 1.053 63.428 62.300 0.126 0.000 1.126 95 V CB 0.367 32.255 31.823 0.109 0.000 0.934 95 V HN 1.073 nan 8.190 nan 0.000 0.487 96 G N 3.579 112.419 108.800 0.068 0.000 2.155 96 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.257 96 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.257 96 G C 1.193 176.122 174.900 0.050 0.000 0.983 96 G CA 0.692 45.821 45.100 0.047 0.000 0.676 96 G HN 2.264 nan 8.290 nan 0.000 0.528 97 G N -1.116 107.730 108.800 0.076 0.000 2.284 97 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.261 97 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.261 97 G C 0.152 175.119 174.900 0.111 0.000 0.997 97 G CA 1.351 46.500 45.100 0.081 0.000 0.621 97 G HN 1.741 nan 8.290 nan 0.000 0.534 98 D N -0.720 119.730 120.400 0.084 0.000 2.579 98 D HA 0.808 5.448 4.640 -0.000 0.000 0.257 98 D C -0.564 175.643 176.300 -0.154 0.000 1.176 98 D CA 0.546 54.529 54.000 -0.029 0.000 0.914 98 D CB 1.507 42.270 40.800 -0.062 0.000 1.431 98 D HN 1.172 nan 8.370 nan 0.000 0.454 99 A N 1.006 123.573 122.820 -0.422 0.000 2.480 99 A HA 0.507 4.827 4.320 -0.000 0.000 0.289 99 A C -1.557 175.772 177.584 -0.426 0.000 1.044 99 A CA -0.625 51.117 52.037 -0.491 0.000 0.761 99 A CB 1.324 19.783 19.000 -0.902 0.000 1.289 99 A HN 0.330 nan 8.150 nan 0.000 0.401 100 V N 4.624 124.389 119.914 -0.248 0.000 2.322 100 V HA 0.233 4.353 4.120 -0.000 0.000 0.258 100 V C -0.041 175.968 176.094 -0.141 0.000 1.074 100 V CA -0.135 62.056 62.300 -0.182 0.000 0.909 100 V CB 0.479 32.235 31.823 -0.112 0.000 1.090 100 V HN 0.819 nan 8.190 nan 0.000 0.486 101 M N 4.728 124.236 119.600 -0.152 0.000 2.108 101 M HA 0.393 4.873 4.480 -0.000 0.000 0.347 101 M C 0.276 176.557 176.300 -0.032 0.000 1.326 101 M CA 0.223 55.474 55.300 -0.081 0.000 1.126 101 M CB 0.375 32.929 32.600 -0.076 0.000 1.606 101 M HN 0.579 nan 8.290 nan 0.000 0.462 102 E N 2.227 122.419 120.200 -0.014 0.000 2.248 102 E HA 0.391 4.741 4.350 -0.000 0.000 0.272 102 E C -0.187 176.417 176.600 0.007 0.000 1.008 102 E CA -0.895 55.503 56.400 -0.004 0.000 0.856 102 E CB 2.019 31.717 29.700 -0.004 0.000 1.120 102 E HN 0.458 nan 8.360 nan 0.000 0.397 103 R N 0.530 121.035 120.500 0.008 0.000 2.537 103 R HA 0.123 4.463 4.340 -0.000 0.000 0.280 103 R C 0.763 177.069 176.300 0.010 0.000 1.058 103 R CA 1.331 57.437 56.100 0.011 0.000 1.057 103 R CB 0.047 30.352 30.300 0.007 0.000 0.973 103 R HN 0.856 nan 8.270 nan 0.000 0.438 104 G N 2.176 110.983 108.800 0.012 0.000 2.268 104 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.240 104 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.240 104 G C 0.180 175.083 174.900 0.004 0.000 1.010 104 G CA 0.120 45.225 45.100 0.008 0.000 0.618 104 G HN 0.972 nan 8.290 nan 0.000 0.516 105 A N 0.386 123.210 122.820 0.006 0.000 2.466 105 A HA 0.583 4.903 4.320 -0.000 0.000 0.238 105 A C 0.697 178.272 177.584 -0.015 0.000 1.074 105 A CA 1.501 53.540 52.037 0.004 0.000 0.774 105 A CB 0.223 19.230 19.000 0.012 0.000 1.015 105 A HN 0.847 nan 8.150 nan 0.000 0.498 106 T N 1.200 115.738 114.554 -0.027 0.000 2.799 106 T HA 0.507 4.857 4.350 -0.000 0.000 0.286 106 T C 0.069 174.701 174.700 -0.113 0.000 0.973 106 T CA 0.119 62.158 62.100 -0.102 0.000 1.035 106 T CB 0.168 68.972 68.868 -0.108 0.000 0.932 106 T HN 1.184 nan 8.240 nan 0.000 0.469 107 C N 2.544 121.714 119.300 -0.218 0.000 3.154 107 C HA 0.859 5.319 4.460 -0.000 0.000 0.312 107 C C -1.749 172.968 174.990 -0.455 0.000 1.349 107 C CA -1.227 57.704 59.018 -0.146 0.000 1.518 107 C CB 0.322 28.123 27.740 0.102 0.000 1.934 107 C HN 0.804 nan 8.230 nan 0.000 0.462 108 Y N 0.874 121.147 120.300 -0.045 0.000 2.361 108 Y HA 0.592 5.142 4.550 0.000 0.000 0.337 108 Y C 0.298 176.006 175.900 -0.319 0.000 0.965 108 Y CA -0.689 57.322 58.100 -0.148 0.000 1.091 108 Y CB 2.064 40.443 38.460 -0.136 0.000 1.182 108 Y HN 0.827 nan 8.280 nan 0.000 0.450 109 V N 0.497 120.248 119.914 -0.272 0.000 2.417 109 V HA 0.837 4.957 4.120 -0.000 0.000 0.291 109 V C -0.486 175.451 176.094 -0.262 0.000 1.024 109 V CA -0.274 61.734 62.300 -0.487 0.000 0.861 109 V CB 1.433 32.941 31.823 -0.524 0.000 0.985 109 V HN 0.773 nan 8.190 nan 0.000 0.436 110 T N 2.571 116.981 114.554 -0.241 0.000 2.907 110 T HA 0.570 4.920 4.350 -0.000 0.000 0.292 110 T C 0.788 175.470 174.700 -0.030 0.000 1.043 110 T CA 0.320 62.349 62.100 -0.118 0.000 1.003 110 T CB 1.869 70.636 68.868 -0.168 0.000 1.084 110 T HN 1.162 nan 8.240 nan 0.000 0.483 111 T N 0.025 114.582 114.554 0.005 0.000 3.105 111 T HA 0.211 4.561 4.350 -0.000 0.000 0.253 111 T C 0.366 175.243 174.700 0.295 0.000 1.047 111 T CA -0.371 61.769 62.100 0.066 0.000 0.944 111 T CB -0.151 68.697 68.868 -0.034 0.000 1.016 111 T HN 0.524 nan 8.240 nan 0.000 0.544 112 D N 3.705 124.261 120.400 0.259 0.000 2.412 112 D HA 0.095 4.735 4.640 -0.000 0.000 0.257 112 D C -1.031 175.446 176.300 0.294 0.000 1.217 112 D CA -2.169 51.987 54.000 0.261 0.000 0.897 112 D CB 1.522 42.471 40.800 0.248 0.000 1.132 112 D HN 0.105 nan 8.370 nan 0.000 0.493 113 P HA -0.080 nan 4.420 nan 0.000 0.223 113 P C 1.087 178.264 177.300 -0.206 0.000 1.151 113 P CA 0.574 63.587 63.100 -0.143 0.000 0.787 113 P CB 0.079 31.758 31.700 -0.036 0.000 0.788 114 A N -0.342 122.440 122.820 -0.063 0.000 2.054 114 A HA -0.187 4.133 4.320 -0.000 0.000 0.223 114 A C 1.639 179.007 177.584 -0.360 0.000 1.169 114 A CA 1.469 53.397 52.037 -0.181 0.000 0.655 114 A CB -1.820 17.087 19.000 -0.155 0.000 0.812 114 A HN 0.193 nan 8.150 nan 0.000 0.462 115 F N -1.145 118.711 119.950 -0.157 0.000 2.693 115 F HA 0.342 4.869 4.527 -0.000 0.000 0.303 115 F C 2.196 177.884 175.800 -0.186 0.000 1.097 115 F CA 0.234 58.174 58.000 -0.100 0.000 1.330 115 F CB 0.070 39.092 39.000 0.036 0.000 1.067 115 F HN 0.230 nan 8.300 nan 0.000 0.565 116 A N 0.266 122.878 122.820 -0.346 0.000 2.015 116 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 116 A C 1.475 178.967 177.584 -0.153 0.000 1.163 116 A CA 1.934 53.723 52.037 -0.413 0.000 0.646 116 A CB -0.499 18.134 19.000 -0.613 0.000 0.806 116 A HN 0.392 nan 8.150 nan 0.000 0.448 117 D N -1.463 118.856 120.400 -0.135 0.000 2.538 117 D HA 0.077 4.717 4.640 -0.000 0.000 0.231 117 D C 0.379 176.646 176.300 -0.054 0.000 1.229 117 D CA 0.044 53.991 54.000 -0.088 0.000 0.828 117 D CB -0.248 40.499 40.800 -0.088 0.000 1.035 117 D HN 0.541 nan 8.370 nan 0.000 0.495 118 K N -0.384 120.004 120.400 -0.020 0.000 3.147 118 K HA 0.382 4.702 4.320 -0.000 0.000 0.190 118 K C 0.436 177.161 176.600 0.209 0.000 1.094 118 K CA -0.741 55.572 56.287 0.045 0.000 1.024 118 K CB 0.404 32.873 32.500 -0.052 0.000 0.700 118 K HN -0.008 nan 8.250 nan 0.000 0.424 119 G N 1.116 110.038 108.800 0.204 0.000 2.667 119 G HA2 0.401 4.361 3.960 -0.000 0.000 0.250 119 G HA3 0.401 4.361 3.960 -0.000 0.000 0.250 119 G C -0.147 175.025 174.900 0.453 0.000 1.212 119 G CA 0.353 45.678 45.100 0.374 0.000 0.874 119 G HN 0.420 nan 8.290 nan 0.000 0.561 120 T N -3.222 111.655 114.554 0.539 0.000 2.762 120 T HA 0.390 4.740 4.350 -0.000 0.000 0.301 120 T C 1.084 175.986 174.700 0.336 0.000 1.299 120 T CA -0.160 62.165 62.100 0.375 0.000 1.005 120 T CB 1.580 70.597 68.868 0.248 0.000 1.377 120 T HN 0.637 nan 8.240 nan 0.000 0.504 121 K N 0.226 120.708 120.400 0.136 0.000 2.211 121 K HA -0.153 4.167 4.320 -0.000 0.000 0.204 121 K C 0.926 177.660 176.600 0.224 0.000 1.047 121 K CA 1.945 58.284 56.287 0.087 0.000 0.935 121 K CB -0.383 32.114 32.500 -0.004 0.000 0.728 121 K HN 0.488 nan 8.250 nan 0.000 0.452 122 D N 0.929 121.472 120.400 0.238 0.000 2.123 122 D HA -0.057 4.583 4.640 -0.000 0.000 0.200 122 D C 0.280 176.773 176.300 0.322 0.000 0.976 122 D CA 1.183 55.334 54.000 0.252 0.000 0.831 122 D CB 0.205 41.126 40.800 0.203 0.000 0.974 122 D HN 0.282 nan 8.370 nan 0.000 0.469 123 K N -0.308 120.298 120.400 0.343 0.000 2.571 123 K HA 0.318 4.638 4.320 -0.000 0.000 0.252 123 K C -1.751 175.070 176.600 0.368 0.000 0.956 123 K CA -0.571 55.861 56.287 0.243 0.000 0.822 123 K CB 1.178 33.690 32.500 0.019 0.000 1.286 123 K HN -0.064 nan 8.250 nan 0.000 0.439 124 F N 0.925 120.977 119.950 0.169 0.000 2.715 124 F HA 0.542 5.069 4.527 -0.000 0.000 0.318 124 F C -1.777 174.135 175.800 0.187 0.000 1.141 124 F CA -1.316 56.811 58.000 0.212 0.000 0.950 124 F CB 0.606 39.804 39.000 0.330 0.000 1.374 124 F HN 0.383 nan 8.300 nan 0.000 0.477 125 Y N 2.147 122.564 120.300 0.195 0.000 2.323 125 Y HA 0.741 5.291 4.550 -0.000 0.000 0.331 125 Y C -1.043 174.936 175.900 0.132 0.000 1.092 125 Y CA -1.359 56.794 58.100 0.088 0.000 1.150 125 Y CB 1.051 39.586 38.460 0.125 0.000 1.200 125 Y HN 0.610 nan 8.280 nan 0.000 0.472 126 I N 5.736 126.056 120.570 -0.417 0.000 2.433 126 I HA 0.183 4.353 4.170 -0.000 0.000 0.292 126 I C -0.223 175.408 176.117 -0.810 0.000 1.001 126 I CA -0.708 60.363 61.300 -0.381 0.000 1.119 126 I CB 1.770 39.686 38.000 -0.141 0.000 1.289 126 I HN 0.703 nan 8.210 nan 0.000 0.438 127 D N 4.837 124.893 120.400 -0.574 0.000 2.319 127 D HA -0.140 4.500 4.640 -0.000 0.000 0.230 127 D C -0.073 176.188 176.300 -0.065 0.000 1.094 127 D CA 0.090 53.809 54.000 -0.469 0.000 0.856 127 D CB -0.079 40.703 40.800 -0.030 0.000 0.915 127 D HN 0.293 nan 8.370 nan 0.000 0.517 128 Y N 2.064 122.254 120.300 -0.182 0.000 2.518 128 Y HA 0.251 4.801 4.550 0.000 0.000 0.344 128 Y C 1.020 176.886 175.900 -0.057 0.000 0.982 128 Y CA -1.115 56.943 58.100 -0.070 0.000 1.234 128 Y CB 0.978 39.413 38.460 -0.042 0.000 1.114 128 Y HN -0.218 nan 8.280 nan 0.000 0.515 129 Q N 3.061 122.813 119.800 -0.080 0.000 2.291 129 Q HA -0.141 4.199 4.340 -0.000 0.000 0.206 129 Q C 0.585 176.396 176.000 -0.315 0.000 0.976 129 Q CA 1.001 56.719 55.803 -0.143 0.000 0.875 129 Q CB 0.087 28.811 28.738 -0.022 0.000 0.927 129 Q HN 0.681 nan 8.270 nan 0.000 0.450 130 N N 0.549 118.849 118.700 -0.668 0.000 2.370 130 N HA -0.022 4.718 4.740 -0.000 0.000 0.198 130 N C 1.403 176.463 175.510 -0.750 0.000 1.156 130 N CA -0.051 52.594 53.050 -0.676 0.000 0.839 130 N CB 0.070 38.204 38.487 -0.588 0.000 0.989 130 N HN 0.125 nan 8.380 nan 0.000 0.468 131 L N 0.696 121.501 121.223 -0.696 0.000 1.997 131 L HA -0.209 4.131 4.340 -0.000 0.000 0.216 131 L C 1.960 178.754 176.870 -0.126 0.000 1.074 131 L CA 1.774 56.432 54.840 -0.304 0.000 0.763 131 L CB -0.871 41.111 42.059 -0.128 0.000 0.890 131 L HN 0.045 nan 8.230 nan 0.000 0.434 132 S N -0.757 114.888 115.700 -0.091 0.000 2.382 132 S HA -0.177 4.293 4.470 -0.000 0.000 0.228 132 S C 1.808 176.427 174.600 0.032 0.000 1.027 132 S CA 1.437 59.663 58.200 0.044 0.000 0.991 132 S CB -0.261 62.960 63.200 0.034 0.000 0.823 132 S HN 0.490 nan 8.310 nan 0.000 0.469 133 K N 0.541 120.899 120.400 -0.071 0.000 2.211 133 K HA 0.051 4.371 4.320 -0.000 0.000 0.203 133 K C 1.715 178.303 176.600 -0.019 0.000 1.050 133 K CA 0.823 57.071 56.287 -0.065 0.000 0.945 133 K CB -0.094 32.354 32.500 -0.087 0.000 0.732 133 K HN 0.184 nan 8.250 nan 0.000 0.451 134 V N 0.962 120.868 119.914 -0.013 0.000 2.992 134 V HA -0.009 4.111 4.120 -0.000 0.000 0.250 134 V C 0.782 176.901 176.094 0.042 0.000 1.090 134 V CA 0.508 62.830 62.300 0.036 0.000 1.101 134 V CB 0.605 32.493 31.823 0.108 0.000 0.743 134 V HN -0.055 nan 8.190 nan 0.000 0.468 135 V N 0.662 120.603 119.914 0.045 0.000 2.713 135 V HA 0.475 4.595 4.120 -0.000 0.000 0.307 135 V C 0.026 176.142 176.094 0.036 0.000 1.052 135 V CA -0.651 61.660 62.300 0.020 0.000 0.967 135 V CB 1.727 33.544 31.823 -0.010 0.000 1.019 135 V HN 0.360 nan 8.190 nan 0.000 0.459 136 R N 2.635 123.123 120.500 -0.020 0.000 2.888 136 R HA 0.499 4.839 4.340 -0.000 0.000 0.266 136 R C -2.824 173.406 176.300 -0.116 0.000 1.020 136 R CA -2.123 53.964 56.100 -0.022 0.000 0.963 136 R CB 1.368 31.667 30.300 -0.002 0.000 1.197 136 R HN 0.389 nan 8.270 nan 0.000 0.481 137 P HA -0.077 nan 4.420 nan 0.000 0.260 137 P C 0.536 177.743 177.300 -0.155 0.000 1.172 137 P CA 1.398 64.407 63.100 -0.151 0.000 0.760 137 P CB 0.446 32.085 31.700 -0.101 0.000 0.773 138 G N 2.565 111.235 108.800 -0.218 0.000 2.349 138 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.213 138 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.213 138 G C 0.473 175.089 174.900 -0.473 0.000 1.044 138 G CA -0.463 44.465 45.100 -0.286 0.000 0.633 138 G HN 0.523 nan 8.290 nan 0.000 0.506 139 N N 0.604 119.105 118.700 -0.331 0.000 2.374 139 N HA 0.388 5.128 4.740 -0.000 0.000 0.241 139 N C -0.459 174.804 175.510 -0.412 0.000 1.262 139 N CA 0.501 53.366 53.050 -0.309 0.000 0.880 139 N CB 0.051 38.448 38.487 -0.150 0.000 1.105 139 N HN 0.345 nan 8.380 nan 0.000 0.438 140 Y N 0.346 120.609 120.300 -0.063 0.000 2.420 140 Y HA 0.520 5.070 4.550 0.000 0.000 0.334 140 Y C 0.378 176.226 175.900 -0.087 0.000 1.094 140 Y CA -0.539 57.539 58.100 -0.036 0.000 1.126 140 Y CB 1.171 39.631 38.460 -0.001 0.000 1.217 140 Y HN 0.256 nan 8.280 nan 0.000 0.462 141 I N 3.891 124.574 120.570 0.189 0.000 2.439 141 I HA 0.217 4.387 4.170 -0.000 0.000 0.283 141 I C -1.333 174.970 176.117 0.311 0.000 1.023 141 I CA -0.858 60.526 61.300 0.140 0.000 1.100 141 I CB 0.749 38.814 38.000 0.107 0.000 1.238 141 I HN 0.426 nan 8.210 nan 0.000 0.445 142 Y N 6.670 127.037 120.300 0.112 0.000 2.313 142 Y HA 0.560 5.110 4.550 -0.000 0.000 0.332 142 Y C 0.256 176.215 175.900 0.098 0.000 1.071 142 Y CA -1.264 56.890 58.100 0.090 0.000 1.169 142 Y CB 1.022 39.517 38.460 0.059 0.000 1.192 142 Y HN 0.305 nan 8.280 nan 0.000 0.487 143 I N 2.554 123.276 120.570 0.255 0.000 2.582 143 I HA 0.200 4.370 4.170 -0.000 0.000 0.292 143 I C -0.544 175.662 176.117 0.149 0.000 1.066 143 I CA -0.838 60.582 61.300 0.200 0.000 1.053 143 I CB 1.998 40.132 38.000 0.223 0.000 1.241 143 I HN 0.540 nan 8.210 nan 0.000 0.421 144 D N 4.784 125.263 120.400 0.132 0.000 2.767 144 D HA -0.180 4.460 4.640 -0.000 0.000 0.239 144 D C -0.071 176.274 176.300 0.074 0.000 1.103 144 D CA 1.077 55.146 54.000 0.115 0.000 0.710 144 D CB -0.643 40.258 40.800 0.167 0.000 1.084 144 D HN 0.854 nan 8.370 nan 0.000 0.435 145 D N -1.897 118.542 120.400 0.065 0.000 3.059 145 D HA -0.133 4.507 4.640 -0.000 0.000 0.208 145 D C 1.107 177.409 176.300 0.003 0.000 1.079 145 D CA 1.847 55.869 54.000 0.037 0.000 0.986 145 D CB -1.480 39.331 40.800 0.018 0.000 1.090 145 D HN 1.234 nan 8.370 nan 0.000 0.428 146 G N 0.210 109.019 108.800 0.015 0.000 2.143 146 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.249 146 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.249 146 G C 1.150 175.855 174.900 -0.326 0.000 0.981 146 G CA 0.498 45.489 45.100 -0.182 0.000 0.665 146 G HN 0.512 nan 8.290 nan 0.000 0.528 147 I N -0.751 119.710 120.570 -0.180 0.000 2.286 147 I HA 0.087 4.257 4.170 -0.000 0.000 0.245 147 I C 1.384 177.362 176.117 -0.231 0.000 1.104 147 I CA 0.726 61.865 61.300 -0.268 0.000 1.397 147 I CB -0.016 37.763 38.000 -0.370 0.000 1.072 147 I HN 0.269 nan 8.210 nan 0.000 0.417 148 L N 1.879 123.070 121.223 -0.053 0.000 2.264 148 L HA 0.436 4.776 4.340 -0.000 0.000 0.289 148 L C -0.555 176.340 176.870 0.042 0.000 1.044 148 L CA 0.117 54.981 54.840 0.040 0.000 0.807 148 L CB 0.715 42.865 42.059 0.152 0.000 1.192 148 L HN -0.043 nan 8.230 nan 0.000 0.425 149 I N 6.751 127.339 120.570 0.030 0.000 2.359 149 I HA 0.301 4.471 4.170 -0.000 0.000 0.284 149 I C -0.607 175.625 176.117 0.190 0.000 1.018 149 I CA -0.425 60.951 61.300 0.126 0.000 1.173 149 I CB 1.029 39.036 38.000 0.012 0.000 1.326 149 I HN 0.491 nan 8.210 nan 0.000 0.462 150 L N 6.039 127.406 121.223 0.240 0.000 2.357 150 L HA 0.481 4.821 4.340 -0.000 0.000 0.273 150 L C -0.063 176.936 176.870 0.216 0.000 1.080 150 L CA -0.520 54.430 54.840 0.183 0.000 0.803 150 L CB 1.270 43.421 42.059 0.153 0.000 1.174 150 L HN 0.583 nan 8.230 nan 0.000 0.443 151 Q N 1.451 121.325 119.800 0.123 0.000 2.316 151 Q HA 0.406 4.746 4.340 -0.000 0.000 0.264 151 Q C -1.249 174.690 176.000 -0.103 0.000 0.987 151 Q CA -0.754 55.046 55.803 -0.006 0.000 0.852 151 Q CB 2.310 31.021 28.738 -0.046 0.000 1.287 151 Q HN 0.459 nan 8.270 nan 0.000 0.448 152 V N 5.010 124.822 119.914 -0.170 0.000 2.479 152 V HA -0.027 4.093 4.120 -0.000 0.000 0.281 152 V C 0.655 176.633 176.094 -0.193 0.000 1.031 152 V CA 0.180 62.369 62.300 -0.185 0.000 1.038 152 V CB 1.126 32.828 31.823 -0.201 0.000 0.981 152 V HN 0.875 nan 8.190 nan 0.000 0.478 153 Q N 3.001 122.695 119.800 -0.178 0.000 2.387 153 Q HA 0.212 4.552 4.340 -0.000 0.000 0.208 153 Q C 0.676 176.587 176.000 -0.149 0.000 0.935 153 Q CA 0.818 56.534 55.803 -0.145 0.000 0.891 153 Q CB 0.684 29.353 28.738 -0.116 0.000 1.007 153 Q HN 0.896 nan 8.270 nan 0.000 0.548 154 S N -0.955 114.636 115.700 -0.182 0.000 2.611 154 S HA 0.416 4.886 4.470 -0.000 0.000 0.268 154 S C -1.286 173.168 174.600 -0.243 0.000 1.156 154 S CA -0.937 57.159 58.200 -0.173 0.000 0.817 154 S CB 0.698 63.868 63.200 -0.050 0.000 1.122 154 S HN 0.226 nan 8.310 nan 0.000 0.466 155 H N 1.060 120.121 119.070 -0.016 0.000 2.911 155 H HA 0.372 4.928 4.556 -0.000 0.000 0.273 155 H C 1.110 176.445 175.328 0.011 0.000 1.157 155 H CA -0.164 55.877 56.048 -0.011 0.000 1.402 155 H CB 1.142 30.890 29.762 -0.022 0.000 1.463 155 H HN 0.856 nan 8.280 nan 0.000 0.475 156 E N 2.674 122.943 120.200 0.115 0.000 2.070 156 E HA -0.187 4.163 4.350 -0.000 0.000 0.197 156 E C 0.174 176.810 176.600 0.060 0.000 1.004 156 E CA 2.114 58.575 56.400 0.101 0.000 0.805 156 E CB 0.315 30.094 29.700 0.132 0.000 0.744 156 E HN 0.877 nan 8.360 nan 0.000 0.451 157 D N -2.908 117.529 120.400 0.062 0.000 2.921 157 D HA 0.135 4.775 4.640 -0.000 0.000 0.329 157 D C 0.245 176.563 176.300 0.029 0.000 1.293 157 D CA -0.566 53.452 54.000 0.031 0.000 0.964 157 D CB -0.301 40.498 40.800 -0.001 0.000 1.435 157 D HN -0.048 nan 8.370 nan 0.000 0.548 158 E N -1.115 119.081 120.200 -0.007 0.000 2.409 158 E HA -0.077 4.273 4.350 -0.000 0.000 0.198 158 E C 0.675 177.263 176.600 -0.020 0.000 1.024 158 E CA 0.857 57.236 56.400 -0.034 0.000 0.861 158 E CB 0.111 29.785 29.700 -0.044 0.000 0.788 158 E HN 0.350 nan 8.360 nan 0.000 0.521 159 Q N -0.884 118.916 119.800 -0.000 0.000 2.140 159 Q HA 0.127 4.467 4.340 -0.000 0.000 0.227 159 Q C -0.546 175.449 176.000 -0.008 0.000 0.798 159 Q CA 0.131 55.932 55.803 -0.003 0.000 0.987 159 Q CB 1.860 30.604 28.738 0.009 0.000 1.161 159 Q HN -0.076 nan 8.270 nan 0.000 0.480 160 T N 0.833 115.393 114.554 0.010 0.000 2.916 160 T HA 0.538 4.888 4.350 -0.000 0.000 0.298 160 T C -0.943 173.779 174.700 0.037 0.000 1.031 160 T CA -0.504 61.593 62.100 -0.005 0.000 0.993 160 T CB 1.505 70.356 68.868 -0.030 0.000 1.045 160 T HN 0.023 nan 8.240 nan 0.000 0.454 161 L N 2.338 123.554 121.223 -0.012 0.000 2.322 161 L HA 0.517 4.857 4.340 -0.000 0.000 0.281 161 L C 0.481 177.303 176.870 -0.079 0.000 1.014 161 L CA -0.879 53.919 54.840 -0.070 0.000 0.815 161 L CB 1.687 43.662 42.059 -0.139 0.000 1.247 161 L HN 0.645 nan 8.230 nan 0.000 0.421 162 E N 2.604 122.747 120.200 -0.096 0.000 2.259 162 E HA 0.282 4.632 4.350 -0.000 0.000 0.281 162 E C -1.381 175.040 176.600 -0.299 0.000 1.037 162 E CA -0.456 55.757 56.400 -0.312 0.000 0.854 162 E CB 1.055 30.666 29.700 -0.149 0.000 1.051 162 E HN 0.595 nan 8.360 nan 0.000 0.409 163 C N 3.277 122.364 119.300 -0.356 0.000 2.614 163 C HA 0.452 4.912 4.460 -0.000 0.000 0.320 163 C C -0.008 174.881 174.990 -0.169 0.000 1.200 163 C CA -0.651 58.245 59.018 -0.204 0.000 1.700 163 C CB 1.698 29.358 27.740 -0.133 0.000 2.275 163 C HN 0.724 nan 8.230 nan 0.000 0.492 164 T N 1.804 116.303 114.554 -0.092 0.000 2.845 164 T HA 0.359 4.709 4.350 -0.000 0.000 0.288 164 T C -0.099 174.604 174.700 0.006 0.000 0.980 164 T CA -0.205 61.868 62.100 -0.044 0.000 1.071 164 T CB 0.867 69.722 68.868 -0.021 0.000 0.941 164 T HN 0.446 nan 8.240 nan 0.000 0.487 165 V N 4.340 124.263 119.914 0.016 0.000 2.389 165 V HA 0.147 4.267 4.120 -0.000 0.000 0.264 165 V C 1.782 177.904 176.094 0.046 0.000 1.049 165 V CA -0.036 62.291 62.300 0.044 0.000 0.932 165 V CB 0.577 32.423 31.823 0.037 0.000 1.011 165 V HN 1.187 nan 8.190 nan 0.000 0.475 166 T N 0.931 115.526 114.554 0.068 0.000 3.067 166 T HA 0.057 4.407 4.350 -0.000 0.000 0.257 166 T C 0.604 175.320 174.700 0.027 0.000 1.105 166 T CA 0.357 62.493 62.100 0.061 0.000 1.104 166 T CB -0.082 68.847 68.868 0.101 0.000 0.925 166 T HN 0.703 nan 8.240 nan 0.000 0.498 167 N N -0.103 118.609 118.700 0.020 0.000 2.484 167 N HA 0.238 4.978 4.740 -0.000 0.000 0.269 167 N C -1.786 173.735 175.510 0.018 0.000 1.237 167 N CA -0.615 52.435 53.050 0.000 0.000 0.838 167 N CB 1.617 40.083 38.487 -0.035 0.000 1.593 167 N HN -0.022 nan 8.380 nan 0.000 0.485 168 S N 0.282 115.993 115.700 0.017 0.000 2.565 168 S HA 0.364 4.834 4.470 -0.000 0.000 0.276 168 S C -0.880 173.784 174.600 0.106 0.000 1.326 168 S CA 0.145 58.367 58.200 0.037 0.000 1.045 168 S CB -0.285 62.926 63.200 0.019 0.000 0.918 168 S HN 0.728 nan 8.310 nan 0.000 0.505 169 H N 0.268 119.304 119.070 -0.057 0.000 3.136 169 H HA 0.219 4.775 4.556 -0.000 0.000 0.313 169 H C -1.099 174.170 175.328 -0.097 0.000 1.103 169 H CA -0.368 55.639 56.048 -0.069 0.000 1.437 169 H CB 0.404 30.128 29.762 -0.065 0.000 2.063 169 H HN 0.516 nan 8.280 nan 0.000 0.495 170 T N 5.982 120.260 114.554 -0.460 0.000 2.832 170 T HA 0.497 4.847 4.350 -0.000 0.000 0.296 170 T C 0.390 174.699 174.700 -0.651 0.000 0.968 170 T CA -0.349 61.484 62.100 -0.445 0.000 1.107 170 T CB -0.225 68.465 68.868 -0.297 0.000 0.916 170 T HN 0.447 nan 8.240 nan 0.000 0.517 171 I N 0.517 120.787 120.570 -0.500 0.000 2.465 171 I HA 0.709 4.879 4.170 -0.000 0.000 0.291 171 I C 0.319 176.231 176.117 -0.341 0.000 1.014 171 I CA -0.901 60.154 61.300 -0.408 0.000 1.093 171 I CB 2.036 39.837 38.000 -0.331 0.000 1.267 171 I HN 0.543 nan 8.210 nan 0.000 0.431 172 S N 2.683 118.308 115.700 -0.125 0.000 2.666 172 S HA 0.383 4.853 4.470 -0.000 0.000 0.279 172 S C -0.284 174.459 174.600 0.239 0.000 1.149 172 S CA -0.784 57.428 58.200 0.021 0.000 1.020 172 S CB 0.578 63.783 63.200 0.009 0.000 1.127 172 S HN 0.650 nan 8.310 nan 0.000 0.537 173 D N 1.056 121.599 120.400 0.238 0.000 2.488 173 D HA 0.162 4.802 4.640 -0.000 0.000 0.238 173 D C 0.206 176.580 176.300 0.122 0.000 1.138 173 D CA 0.798 54.908 54.000 0.183 0.000 0.873 173 D CB -0.144 40.706 40.800 0.085 0.000 1.183 173 D HN 0.556 nan 8.370 nan 0.000 0.458 174 R N 0.250 120.797 120.500 0.079 0.000 3.332 174 R HA -0.235 4.105 4.340 -0.000 0.000 0.263 174 R C -0.210 176.145 176.300 0.091 0.000 1.053 174 R CA 0.275 56.417 56.100 0.069 0.000 0.705 174 R CB -1.243 29.085 30.300 0.048 0.000 1.166 174 R HN 0.305 nan 8.270 nan 0.000 0.427 175 R N 0.241 120.818 120.500 0.129 0.000 2.615 175 R HA 0.316 4.656 4.340 -0.000 0.000 0.270 175 R C 1.016 177.377 176.300 0.101 0.000 1.081 175 R CA 0.849 57.017 56.100 0.113 0.000 1.154 175 R CB 0.632 31.006 30.300 0.125 0.000 1.063 175 R HN 0.321 nan 8.270 nan 0.000 0.519 176 G N 0.431 109.277 108.800 0.077 0.000 2.467 176 G HA2 0.406 4.366 3.960 -0.000 0.000 0.257 176 G HA3 0.406 4.366 3.960 -0.000 0.000 0.257 176 G C -0.858 174.091 174.900 0.081 0.000 1.227 176 G CA -0.324 44.807 45.100 0.053 0.000 0.835 176 G HN 0.489 nan 8.290 nan 0.000 0.556 177 V N 0.334 120.287 119.914 0.064 0.000 2.864 177 V HA 0.716 4.836 4.120 -0.000 0.000 0.314 177 V C -0.482 175.648 176.094 0.060 0.000 1.073 177 V CA -1.303 61.057 62.300 0.100 0.000 0.956 177 V CB 2.016 33.914 31.823 0.125 0.000 1.023 177 V HN 0.775 nan 8.190 nan 0.000 0.435 178 N N 2.739 121.498 118.700 0.098 0.000 2.469 178 N HA 0.665 5.405 4.740 -0.000 0.000 0.286 178 N C -1.876 173.623 175.510 -0.019 0.000 1.275 178 N CA -0.567 52.508 53.050 0.041 0.000 0.790 178 N CB 2.114 40.647 38.487 0.076 0.000 1.446 178 N HN 0.507 nan 8.380 nan 0.000 0.501 179 L N 2.084 123.279 121.223 -0.046 0.000 2.480 179 L HA 0.329 4.669 4.340 -0.000 0.000 0.253 179 L C -1.824 174.987 176.870 -0.097 0.000 1.324 179 L CA -1.534 53.266 54.840 -0.065 0.000 0.916 179 L CB 1.010 43.086 42.059 0.028 0.000 1.160 179 L HN 0.377 nan 8.230 nan 0.000 0.503 180 P HA -0.017 nan 4.420 nan 0.000 0.223 180 P C 1.090 178.329 177.300 -0.102 0.000 1.151 180 P CA 0.790 63.801 63.100 -0.148 0.000 0.787 180 P CB 0.508 32.062 31.700 -0.244 0.000 0.788 181 G N -1.584 107.157 108.800 -0.099 0.000 3.707 181 G HA2 0.255 4.215 3.960 -0.000 0.000 0.286 181 G HA3 0.255 4.215 3.960 -0.000 0.000 0.286 181 G C -0.452 174.385 174.900 -0.106 0.000 1.112 181 G CA -0.015 45.014 45.100 -0.118 0.000 0.861 181 G HN 0.240 nan 8.290 nan 0.000 0.534 182 C N 0.635 119.892 119.300 -0.072 0.000 2.547 182 C HA 0.409 4.869 4.460 -0.000 0.000 0.313 182 C C -0.937 174.054 174.990 0.003 0.000 1.191 182 C CA -1.259 57.748 59.018 -0.020 0.000 1.474 182 C CB 1.878 29.632 27.740 0.023 0.000 2.081 182 C HN 0.373 nan 8.230 nan 0.000 0.476 183 D N 2.757 123.166 120.400 0.014 0.000 2.422 183 D HA 0.204 4.844 4.640 -0.000 0.000 0.227 183 D C 0.027 176.365 176.300 0.064 0.000 1.190 183 D CA 0.246 54.260 54.000 0.023 0.000 0.905 183 D CB 1.011 41.820 40.800 0.015 0.000 1.034 183 D HN 0.220 nan 8.370 nan 0.000 0.507 184 V N 2.971 122.915 119.914 0.050 0.000 2.555 184 V HA 0.030 4.150 4.120 -0.000 0.000 0.286 184 V C 0.851 176.974 176.094 0.049 0.000 1.044 184 V CA -0.138 62.204 62.300 0.069 0.000 1.026 184 V CB 1.283 33.134 31.823 0.047 0.000 0.981 184 V HN 0.476 nan 8.190 nan 0.000 0.480 185 D N 3.446 123.943 120.400 0.162 0.000 2.696 185 D HA 0.174 4.814 4.640 -0.000 0.000 0.269 185 D C 0.155 176.544 176.300 0.148 0.000 1.319 185 D CA -0.424 53.654 54.000 0.131 0.000 0.826 185 D CB -0.199 40.685 40.800 0.140 0.000 1.086 185 D HN 0.361 nan 8.370 nan 0.000 0.481 186 L N 0.467 121.743 121.223 0.090 0.000 2.529 186 L HA 0.166 4.506 4.340 -0.000 0.000 0.287 186 L C -1.605 175.312 176.870 0.080 0.000 1.241 186 L CA -1.223 53.671 54.840 0.089 0.000 0.857 186 L CB -0.260 41.822 42.059 0.038 0.000 1.113 186 L HN -0.022 nan 8.230 nan 0.000 0.504 187 P HA 0.007 nan 4.420 nan 0.000 0.270 187 P C 0.025 177.361 177.300 0.060 0.000 1.223 187 P CA -0.178 62.959 63.100 0.061 0.000 0.785 187 P CB 0.614 32.351 31.700 0.061 0.000 0.923 188 A N 1.399 124.245 122.820 0.043 0.000 1.930 188 A HA 0.018 4.338 4.320 -0.000 0.000 0.217 188 A C 0.809 178.429 177.584 0.060 0.000 1.175 188 A CA 1.429 53.492 52.037 0.043 0.000 0.627 188 A CB -0.493 18.521 19.000 0.023 0.000 0.815 188 A HN 0.412 nan 8.150 nan 0.000 0.443 189 V N 1.108 121.053 119.914 0.052 0.000 2.483 189 V HA 0.372 4.492 4.120 -0.000 0.000 0.297 189 V C 0.388 176.513 176.094 0.052 0.000 1.027 189 V CA -0.305 62.025 62.300 0.050 0.000 0.855 189 V CB 1.458 33.304 31.823 0.038 0.000 0.995 189 V HN 0.570 nan 8.190 nan 0.000 0.424 190 S N 4.633 120.366 115.700 0.055 0.000 2.617 190 S HA 0.477 4.947 4.470 -0.000 0.000 0.259 190 S C 1.481 176.112 174.600 0.051 0.000 1.301 190 S CA 0.248 58.480 58.200 0.053 0.000 0.984 190 S CB 1.405 64.634 63.200 0.049 0.000 0.954 190 S HN 1.074 nan 8.310 nan 0.000 0.572 191 A N 0.838 123.687 122.820 0.049 0.000 1.930 191 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 191 A C 2.188 179.804 177.584 0.053 0.000 1.175 191 A CA 1.617 53.682 52.037 0.047 0.000 0.627 191 A CB -0.901 18.124 19.000 0.041 0.000 0.815 191 A HN 0.917 nan 8.150 nan 0.000 0.443 192 K N -0.394 120.038 120.400 0.053 0.000 2.057 192 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 192 K C 1.241 177.903 176.600 0.104 0.000 1.049 192 K CA 1.666 57.994 56.287 0.068 0.000 0.931 192 K CB -0.259 32.276 32.500 0.059 0.000 0.714 192 K HN 0.355 nan 8.250 nan 0.000 0.440 193 D N 0.534 120.984 120.400 0.082 0.000 2.123 193 D HA -0.169 4.471 4.640 -0.000 0.000 0.196 193 D C 2.020 178.357 176.300 0.061 0.000 0.992 193 D CA 1.071 55.110 54.000 0.066 0.000 0.833 193 D CB -0.135 40.693 40.800 0.047 0.000 0.954 193 D HN 0.208 nan 8.370 nan 0.000 0.455 194 R N 0.158 120.695 120.500 0.063 0.000 2.091 194 R HA -0.094 4.246 4.340 -0.000 0.000 0.238 194 R C 2.191 178.543 176.300 0.087 0.000 1.136 194 R CA 0.763 56.899 56.100 0.060 0.000 0.959 194 R CB -0.149 30.183 30.300 0.054 0.000 0.856 194 R HN 0.056 nan 8.270 nan 0.000 0.437 195 V N 0.786 120.772 119.914 0.120 0.000 2.871 195 V HA -0.153 3.967 4.120 -0.000 0.000 0.256 195 V C 1.186 177.445 176.094 0.275 0.000 1.082 195 V CA 1.534 63.948 62.300 0.190 0.000 1.105 195 V CB -0.229 31.692 31.823 0.162 0.000 0.713 195 V HN 0.286 nan 8.190 nan 0.000 0.473 196 D N 0.105 120.625 120.400 0.200 0.000 2.137 196 D HA -0.031 4.609 4.640 -0.000 0.000 0.202 196 D C 2.146 178.422 176.300 -0.040 0.000 0.970 196 D CA 0.953 55.025 54.000 0.120 0.000 0.837 196 D CB -0.101 40.732 40.800 0.056 0.000 0.981 196 D HN 0.300 nan 8.370 nan 0.000 0.475 197 L N 0.398 121.608 121.223 -0.020 0.000 2.046 197 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 197 L C 2.456 179.321 176.870 -0.008 0.000 1.077 197 L CA 0.943 55.758 54.840 -0.043 0.000 0.747 197 L CB -0.267 41.779 42.059 -0.023 0.000 0.896 197 L HN 0.002 nan 8.230 nan 0.000 0.432 198 Q N 0.031 119.859 119.800 0.048 0.000 2.124 198 Q HA -0.249 4.091 4.340 -0.000 0.000 0.202 198 Q C 2.005 178.040 176.000 0.059 0.000 0.977 198 Q CA 1.819 57.655 55.803 0.055 0.000 0.850 198 Q CB -0.461 28.330 28.738 0.087 0.000 0.901 198 Q HN 0.448 nan 8.270 nan 0.000 0.429 199 F N -0.370 119.542 119.950 -0.064 0.000 2.134 199 F HA -0.008 4.519 4.527 -0.000 0.000 0.299 199 F C 1.823 177.542 175.800 -0.135 0.000 1.097 199 F CA 1.863 59.792 58.000 -0.119 0.000 1.264 199 F CB -0.590 38.208 39.000 -0.336 0.000 1.001 199 F HN 0.160 nan 8.300 nan 0.000 0.479 200 G N -0.013 108.741 108.800 -0.077 0.000 2.418 200 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.217 200 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.217 200 G C 1.701 176.489 174.900 -0.185 0.000 1.158 200 G CA 1.160 46.156 45.100 -0.173 0.000 0.771 200 G HN 0.343 nan 8.290 nan 0.000 0.545 201 V N 0.704 120.539 119.914 -0.132 0.000 2.343 201 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 201 V C 2.650 178.663 176.094 -0.135 0.000 1.051 201 V CA 2.247 64.482 62.300 -0.108 0.000 1.036 201 V CB -0.567 31.218 31.823 -0.064 0.000 0.654 201 V HN 0.451 nan 8.190 nan 0.000 0.451 202 E N -0.275 119.824 120.200 -0.168 0.000 2.077 202 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 202 E C 2.039 178.494 176.600 -0.242 0.000 0.989 202 E CA 1.055 57.346 56.400 -0.182 0.000 0.800 202 E CB -0.084 29.505 29.700 -0.184 0.000 0.746 202 E HN 0.489 nan 8.360 nan 0.000 0.452 203 Q N -0.651 118.923 119.800 -0.375 0.000 2.320 203 Q HA 0.111 4.451 4.340 -0.000 0.000 0.201 203 Q C 0.598 176.473 176.000 -0.210 0.000 0.910 203 Q CA 0.575 56.175 55.803 -0.339 0.000 0.946 203 Q CB 0.871 29.294 28.738 -0.524 0.000 1.062 203 Q HN 0.369 nan 8.270 nan 0.000 0.503 204 G N 1.461 110.156 108.800 -0.174 0.000 2.295 204 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.287 204 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.287 204 G C 0.385 175.219 174.900 -0.111 0.000 1.055 204 G CA 0.400 45.426 45.100 -0.122 0.000 0.922 204 G HN 0.375 nan 8.290 nan 0.000 0.503 205 V N -2.698 117.141 119.914 -0.126 0.000 2.843 205 V HA 0.334 4.454 4.120 -0.000 0.000 0.305 205 V C 1.350 177.386 176.094 -0.097 0.000 1.065 205 V CA 0.537 62.770 62.300 -0.112 0.000 1.116 205 V CB 1.012 32.756 31.823 -0.131 0.000 0.968 205 V HN 0.246 nan 8.190 nan 0.000 0.487 206 D N 3.559 123.905 120.400 -0.090 0.000 2.117 206 D HA 0.013 4.653 4.640 -0.000 0.000 0.198 206 D C 0.798 177.055 176.300 -0.071 0.000 0.982 206 D CA 2.124 56.081 54.000 -0.071 0.000 0.828 206 D CB 0.114 40.881 40.800 -0.056 0.000 0.967 206 D HN 0.834 nan 8.370 nan 0.000 0.464 207 M N -0.809 118.722 119.600 -0.115 0.000 2.622 207 M HA 0.461 4.941 4.480 -0.000 0.000 0.276 207 M C -1.666 174.520 176.300 -0.189 0.000 1.265 207 M CA -0.915 54.321 55.300 -0.107 0.000 0.850 207 M CB 2.998 35.569 32.600 -0.049 0.000 1.720 207 M HN -0.375 nan 8.290 nan 0.000 0.465 208 I N 2.411 122.921 120.570 -0.099 0.000 2.378 208 I HA 0.423 4.593 4.170 -0.000 0.000 0.291 208 I C -1.326 174.855 176.117 0.106 0.000 0.992 208 I CA -0.375 60.870 61.300 -0.093 0.000 1.154 208 I CB 1.459 39.433 38.000 -0.044 0.000 1.315 208 I HN 0.598 nan 8.210 nan 0.000 0.448 209 F N 4.560 124.498 119.950 -0.019 0.000 2.368 209 F HA 0.427 4.954 4.527 -0.000 0.000 0.362 209 F C 0.870 176.672 175.800 0.004 0.000 1.137 209 F CA -1.445 56.557 58.000 0.002 0.000 1.161 209 F CB 0.716 39.726 39.000 0.017 0.000 1.265 209 F HN 0.455 nan 8.300 nan 0.000 0.530 210 A N 3.147 126.080 122.820 0.187 0.000 2.310 210 A HA 0.499 4.819 4.320 -0.000 0.000 0.300 210 A C 0.511 178.163 177.584 0.114 0.000 1.269 210 A CA -0.351 51.753 52.037 0.112 0.000 0.909 210 A CB -0.103 18.942 19.000 0.076 0.000 1.144 210 A HN 0.597 nan 8.150 nan 0.000 0.540 211 S N 1.460 117.236 115.700 0.125 0.000 2.579 211 S HA 0.320 4.790 4.470 -0.000 0.000 0.275 211 S C 0.248 174.984 174.600 0.227 0.000 1.345 211 S CA 0.031 58.323 58.200 0.154 0.000 1.031 211 S CB -0.152 63.127 63.200 0.132 0.000 0.892 211 S HN 1.203 nan 8.310 nan 0.000 0.529 212 F N 0.942 120.900 119.950 0.014 0.000 2.943 212 F HA -0.165 4.362 4.527 -0.000 0.000 0.258 212 F C -0.410 175.391 175.800 0.003 0.000 0.995 212 F CA -0.284 57.719 58.000 0.004 0.000 0.896 212 F CB -1.159 37.839 39.000 -0.004 0.000 0.821 212 F HN 0.424 nan 8.300 nan 0.000 0.828 213 I N 4.006 124.562 120.570 -0.022 0.000 2.347 213 I HA 0.041 4.211 4.170 -0.000 0.000 0.294 213 I C 1.552 177.577 176.117 -0.153 0.000 1.090 213 I CA -0.096 61.162 61.300 -0.071 0.000 1.314 213 I CB 0.776 38.763 38.000 -0.022 0.000 1.423 213 I HN 0.252 nan 8.210 nan 0.000 0.503 214 R N 4.261 124.627 120.500 -0.224 0.000 2.115 214 R HA -0.015 4.325 4.340 -0.000 0.000 0.226 214 R C 0.687 176.924 176.300 -0.106 0.000 1.100 214 R CA 0.467 56.448 56.100 -0.200 0.000 0.980 214 R CB -0.478 29.680 30.300 -0.238 0.000 0.875 214 R HN 0.657 nan 8.270 nan 0.000 0.445 215 S N -2.238 113.417 115.700 -0.076 0.000 2.596 215 S HA 0.618 5.088 4.470 -0.000 0.000 0.270 215 S C 0.427 175.008 174.600 -0.032 0.000 1.155 215 S CA -0.346 57.825 58.200 -0.048 0.000 0.827 215 S CB 1.762 64.938 63.200 -0.039 0.000 1.130 215 S HN 0.060 nan 8.310 nan 0.000 0.467 216 A N 0.806 123.611 122.820 -0.024 0.000 1.933 216 A HA -0.030 4.290 4.320 -0.000 0.000 0.218 216 A C 1.949 179.526 177.584 -0.012 0.000 1.175 216 A CA 1.840 53.867 52.037 -0.017 0.000 0.628 216 A CB -1.141 17.850 19.000 -0.015 0.000 0.814 216 A HN 1.008 nan 8.150 nan 0.000 0.444 217 E N -0.426 119.767 120.200 -0.012 0.000 2.110 217 E HA -0.278 4.072 4.350 -0.000 0.000 0.193 217 E C 2.134 178.730 176.600 -0.005 0.000 0.988 217 E CA 1.353 57.748 56.400 -0.008 0.000 0.804 217 E CB -0.224 29.472 29.700 -0.007 0.000 0.745 217 E HN 0.754 nan 8.360 nan 0.000 0.458 218 Q N 0.170 119.964 119.800 -0.010 0.000 2.124 218 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 218 Q C 2.228 178.228 176.000 -0.000 0.000 0.977 218 Q CA 1.728 57.527 55.803 -0.006 0.000 0.850 218 Q CB 0.174 28.901 28.738 -0.018 0.000 0.901 218 Q HN 0.287 nan 8.270 nan 0.000 0.429 219 V N 0.145 120.058 119.914 -0.003 0.000 2.343 219 V HA -0.209 3.911 4.120 -0.000 0.000 0.247 219 V C 2.316 178.412 176.094 0.004 0.000 1.051 219 V CA 1.858 64.160 62.300 0.003 0.000 1.036 219 V CB -1.284 30.540 31.823 0.001 0.000 0.654 219 V HN 0.574 nan 8.190 nan 0.000 0.451 220 G N -0.186 108.615 108.800 0.002 0.000 2.422 220 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 220 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 220 G C 1.226 176.129 174.900 0.005 0.000 1.146 220 G CA 1.009 46.110 45.100 0.003 0.000 0.769 220 G HN 0.502 nan 8.290 nan 0.000 0.547 221 D N 0.256 120.659 120.400 0.006 0.000 2.144 221 D HA -0.084 4.556 4.640 -0.000 0.000 0.199 221 D C 2.754 179.061 176.300 0.010 0.000 0.984 221 D CA 0.642 54.648 54.000 0.009 0.000 0.834 221 D CB -0.332 40.475 40.800 0.012 0.000 0.955 221 D HN 0.223 nan 8.370 nan 0.000 0.465 222 V N 0.905 120.825 119.914 0.010 0.000 2.343 222 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 222 V C 2.479 178.575 176.094 0.004 0.000 1.051 222 V CA 1.359 63.664 62.300 0.009 0.000 1.036 222 V CB -0.388 31.442 31.823 0.011 0.000 0.654 222 V HN 0.038 nan 8.190 nan 0.000 0.451 223 R N 1.000 121.503 120.500 0.004 0.000 2.096 223 R HA -0.160 4.180 4.340 -0.000 0.000 0.235 223 R C 2.233 178.534 176.300 0.002 0.000 1.127 223 R CA 1.932 58.034 56.100 0.002 0.000 0.968 223 R CB -0.504 29.797 30.300 0.003 0.000 0.861 223 R HN 0.533 nan 8.270 nan 0.000 0.440 224 K N -0.799 119.603 120.400 0.004 0.000 2.103 224 K HA 0.027 4.347 4.320 -0.000 0.000 0.204 224 K C 1.812 178.416 176.600 0.007 0.000 1.052 224 K CA 1.118 57.408 56.287 0.006 0.000 0.945 224 K CB -0.156 32.348 32.500 0.007 0.000 0.722 224 K HN 0.213 nan 8.250 nan 0.000 0.443 225 A N 1.250 124.075 122.820 0.008 0.000 1.972 225 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 225 A C 2.037 179.624 177.584 0.004 0.000 1.169 225 A CA 1.092 53.135 52.037 0.010 0.000 0.635 225 A CB -0.531 18.477 19.000 0.012 0.000 0.810 225 A HN 0.314 nan 8.150 nan 0.000 0.446 226 L N -1.329 119.893 121.223 -0.002 0.000 2.093 226 L HA 0.089 4.429 4.340 -0.000 0.000 0.208 226 L C 1.652 178.517 176.870 -0.007 0.000 1.085 226 L CA 0.691 55.525 54.840 -0.010 0.000 0.755 226 L CB -1.015 41.034 42.059 -0.016 0.000 0.904 226 L HN 0.690 nan 8.230 nan 0.000 0.435 227 G N -0.821 107.978 108.800 -0.002 0.000 2.681 227 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.220 227 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.220 227 G C -2.134 172.764 174.900 -0.003 0.000 1.353 227 G CA -0.245 44.854 45.100 -0.001 0.000 0.872 227 G HN 0.050 nan 8.290 nan 0.000 0.557 228 P HA 0.024 nan 4.420 nan 0.000 0.216 228 P C 1.842 179.138 177.300 -0.005 0.000 1.153 228 P CA 1.665 64.764 63.100 -0.002 0.000 0.848 228 P CB 0.026 31.727 31.700 0.000 0.000 0.787 229 K N -0.771 119.624 120.400 -0.008 0.000 2.209 229 K HA 0.004 4.324 4.320 -0.000 0.000 0.204 229 K C 1.893 178.482 176.600 -0.019 0.000 1.048 229 K CA 1.492 57.770 56.287 -0.013 0.000 0.940 229 K CB -0.815 31.675 32.500 -0.016 0.000 0.729 229 K HN 0.211 nan 8.250 nan 0.000 0.451 230 G N 1.580 110.369 108.800 -0.018 0.000 3.337 230 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.246 230 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.246 230 G C 1.281 176.171 174.900 -0.017 0.000 1.131 230 G CA -0.376 44.710 45.100 -0.023 0.000 0.773 230 G HN 0.288 nan 8.290 nan 0.000 0.544 231 R N 0.016 120.510 120.500 -0.011 0.000 2.152 231 R HA 0.001 4.341 4.340 -0.000 0.000 0.232 231 R C 0.487 176.785 176.300 -0.004 0.000 1.117 231 R CA 1.379 57.476 56.100 -0.005 0.000 0.981 231 R CB -0.129 30.170 30.300 -0.001 0.000 0.870 231 R HN 0.026 nan 8.270 nan 0.000 0.451 232 D N 0.878 121.275 120.400 -0.006 0.000 2.340 232 D HA 0.203 4.843 4.640 -0.000 0.000 0.217 232 D C 0.226 176.521 176.300 -0.008 0.000 1.081 232 D CA 0.108 54.105 54.000 -0.003 0.000 0.842 232 D CB 0.225 41.024 40.800 -0.002 0.000 0.934 232 D HN 0.255 nan 8.370 nan 0.000 0.511 233 I N 1.118 121.679 120.570 -0.016 0.000 2.441 233 I HA 0.103 4.273 4.170 -0.000 0.000 0.287 233 I C 0.752 176.863 176.117 -0.009 0.000 1.049 233 I CA -0.339 60.948 61.300 -0.022 0.000 1.381 233 I CB 0.946 38.922 38.000 -0.040 0.000 1.409 233 I HN -0.360 nan 8.210 nan 0.000 0.523 234 M N 6.658 126.257 119.600 -0.001 0.000 2.200 234 M HA 0.325 4.805 4.480 -0.000 0.000 0.355 234 M C -0.468 175.850 176.300 0.031 0.000 1.283 234 M CA 0.205 55.517 55.300 0.021 0.000 1.124 234 M CB 0.587 33.209 32.600 0.036 0.000 1.625 234 M HN 0.392 nan 8.290 nan 0.000 0.463 235 I N 4.889 125.481 120.570 0.037 0.000 2.306 235 I HA 0.273 4.443 4.170 -0.000 0.000 0.288 235 I C -0.499 175.663 176.117 0.076 0.000 1.036 235 I CA -0.595 60.736 61.300 0.052 0.000 1.221 235 I CB 0.620 38.639 38.000 0.032 0.000 1.385 235 I HN 0.464 nan 8.210 nan 0.000 0.472 236 I N 5.765 126.416 120.570 0.136 0.000 2.315 236 I HA 0.183 4.353 4.170 -0.000 0.000 0.291 236 I C 0.023 176.192 176.117 0.086 0.000 1.006 236 I CA -0.444 60.932 61.300 0.126 0.000 1.265 236 I CB 1.041 39.173 38.000 0.222 0.000 1.387 236 I HN 0.538 nan 8.210 nan 0.000 0.475 237 C N 6.697 126.015 119.300 0.031 0.000 2.265 237 C HA 0.305 4.765 4.460 -0.000 0.000 0.332 237 C C 0.802 175.788 174.990 -0.006 0.000 1.248 237 C CA -1.060 57.970 59.018 0.020 0.000 1.727 237 C CB -0.473 27.272 27.740 0.009 0.000 2.348 237 C HN 0.615 nan 8.230 nan 0.000 0.519 238 K N 3.544 123.949 120.400 0.008 0.000 2.339 238 K HA 0.391 4.711 4.320 -0.000 0.000 0.286 238 K C -0.295 176.315 176.600 0.016 0.000 1.050 238 K CA 0.002 56.288 56.287 -0.002 0.000 0.956 238 K CB 0.505 33.022 32.500 0.028 0.000 0.990 238 K HN 0.516 nan 8.250 nan 0.000 0.475 239 I N 4.039 124.611 120.570 0.002 0.000 2.306 239 I HA 0.082 4.252 4.170 -0.000 0.000 0.288 239 I C 0.681 176.818 176.117 0.033 0.000 1.036 239 I CA 0.130 61.433 61.300 0.004 0.000 1.221 239 I CB 0.749 38.739 38.000 -0.017 0.000 1.385 239 I HN 0.793 nan 8.210 nan 0.000 0.472 240 E N 4.026 124.273 120.200 0.077 0.000 2.606 240 E HA 0.073 4.423 4.350 -0.000 0.000 0.224 240 E C -0.154 176.540 176.600 0.157 0.000 0.930 240 E CA -0.120 56.358 56.400 0.130 0.000 1.125 240 E CB 0.677 30.498 29.700 0.202 0.000 1.123 240 E HN 0.718 nan 8.360 nan 0.000 0.522 241 N N -0.807 117.958 118.700 0.109 0.000 3.102 241 N HA 0.075 4.815 4.740 -0.000 0.000 0.299 241 N C 0.443 175.987 175.510 0.056 0.000 1.482 241 N CA -0.647 52.469 53.050 0.109 0.000 0.785 241 N CB 0.487 39.052 38.487 0.130 0.000 1.680 241 N HN -0.178 nan 8.380 nan 0.000 0.594 242 H N -0.692 118.378 119.070 -0.001 0.000 2.290 242 H HA -0.022 4.534 4.556 -0.000 0.000 0.298 242 H C 1.504 176.811 175.328 -0.036 0.000 1.087 242 H CA 2.296 58.336 56.048 -0.012 0.000 1.291 242 H CB 0.215 29.974 29.762 -0.006 0.000 1.369 242 H HN 0.623 nan 8.280 nan 0.000 0.492 243 Q N -0.782 119.064 119.800 0.077 0.000 2.096 243 Q HA -0.138 4.202 4.340 -0.000 0.000 0.204 243 Q C 2.516 178.478 176.000 -0.064 0.000 0.982 243 Q CA 1.175 56.980 55.803 0.003 0.000 0.850 243 Q CB -0.263 28.446 28.738 -0.049 0.000 0.901 243 Q HN 0.672 nan 8.270 nan 0.000 0.422 244 G N -0.188 108.557 108.800 -0.091 0.000 2.418 244 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.217 244 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.217 244 G C 1.454 176.306 174.900 -0.079 0.000 1.158 244 G CA 0.912 45.960 45.100 -0.086 0.000 0.771 244 G HN 0.236 nan 8.290 nan 0.000 0.545 245 V N 0.723 120.576 119.914 -0.101 0.000 2.343 245 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 245 V C 2.769 178.788 176.094 -0.125 0.000 1.051 245 V CA 2.241 64.469 62.300 -0.120 0.000 1.036 245 V CB -0.475 31.246 31.823 -0.170 0.000 0.654 245 V HN 0.533 nan 8.190 nan 0.000 0.451 246 Q N 0.309 120.020 119.800 -0.149 0.000 2.124 246 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 246 Q C 1.256 177.220 176.000 -0.059 0.000 0.977 246 Q CA 1.574 57.315 55.803 -0.104 0.000 0.850 246 Q CB -0.067 28.631 28.738 -0.067 0.000 0.901 246 Q HN 0.598 nan 8.270 nan 0.000 0.429 247 N N 0.767 119.434 118.700 -0.054 0.000 2.295 247 N HA 0.019 4.759 4.740 -0.000 0.000 0.221 247 N C 1.034 176.520 175.510 -0.039 0.000 1.129 247 N CA 0.008 53.034 53.050 -0.040 0.000 0.836 247 N CB 0.346 38.810 38.487 -0.038 0.000 1.040 247 N HN 0.273 nan 8.380 nan 0.000 0.494 248 I N 1.260 121.804 120.570 -0.043 0.000 2.226 248 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 248 I C 1.400 177.500 176.117 -0.029 0.000 1.100 248 I CA 1.611 62.889 61.300 -0.037 0.000 1.374 248 I CB 0.048 38.025 38.000 -0.040 0.000 1.057 248 I HN 0.011 nan 8.210 nan 0.000 0.413 249 D N -0.084 120.300 120.400 -0.027 0.000 2.097 249 D HA -0.167 4.473 4.640 -0.000 0.000 0.195 249 D C 2.450 178.738 176.300 -0.021 0.000 0.989 249 D CA 1.840 55.826 54.000 -0.022 0.000 0.827 249 D CB -0.439 40.348 40.800 -0.022 0.000 0.966 249 D HN 0.515 nan 8.370 nan 0.000 0.456 250 S N 0.565 116.252 115.700 -0.022 0.000 2.382 250 S HA -0.108 4.362 4.470 -0.000 0.000 0.228 250 S C 2.296 176.885 174.600 -0.019 0.000 1.027 250 S CA 0.525 58.713 58.200 -0.020 0.000 0.991 250 S CB -0.661 62.528 63.200 -0.020 0.000 0.823 250 S HN 0.231 nan 8.310 nan 0.000 0.469 251 I N 1.322 121.879 120.570 -0.022 0.000 2.226 251 I HA -0.108 4.062 4.170 -0.000 0.000 0.245 251 I C 2.455 178.564 176.117 -0.014 0.000 1.100 251 I CA 1.265 62.553 61.300 -0.020 0.000 1.374 251 I CB -0.368 37.616 38.000 -0.026 0.000 1.057 251 I HN 0.278 nan 8.210 nan 0.000 0.413 252 I N 0.236 120.796 120.570 -0.016 0.000 2.226 252 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 252 I C 2.640 178.751 176.117 -0.009 0.000 1.100 252 I CA 1.114 62.407 61.300 -0.012 0.000 1.374 252 I CB -0.317 37.675 38.000 -0.014 0.000 1.057 252 I HN 0.244 nan 8.210 nan 0.000 0.413 253 E N 0.745 120.938 120.200 -0.012 0.000 2.038 253 E HA -0.237 4.113 4.350 -0.000 0.000 0.195 253 E C 2.081 178.677 176.600 -0.007 0.000 1.000 253 E CA 1.380 57.773 56.400 -0.011 0.000 0.803 253 E CB -0.141 29.550 29.700 -0.014 0.000 0.750 253 E HN 0.363 nan 8.360 nan 0.000 0.448 254 E N 0.851 121.047 120.200 -0.007 0.000 2.106 254 E HA -0.068 4.282 4.350 -0.000 0.000 0.192 254 E C 1.334 177.935 176.600 0.001 0.000 0.984 254 E CA 0.429 56.827 56.400 -0.004 0.000 0.806 254 E CB -0.448 29.249 29.700 -0.005 0.000 0.750 254 E HN 0.201 nan 8.360 nan 0.000 0.458 255 S N 0.476 116.177 115.700 0.002 0.000 2.634 255 S HA 0.097 4.567 4.470 -0.000 0.000 0.261 255 S C 0.612 175.219 174.600 0.012 0.000 1.271 255 S CA -0.474 57.731 58.200 0.009 0.000 0.985 255 S CB 1.071 64.276 63.200 0.008 0.000 0.968 255 S HN -0.090 nan 8.310 nan 0.000 0.568 256 D N 0.220 120.632 120.400 0.021 0.000 2.369 256 D HA 0.329 4.969 4.640 -0.000 0.000 0.211 256 D C 0.759 177.074 176.300 0.026 0.000 1.077 256 D CA 0.680 54.694 54.000 0.024 0.000 0.842 256 D CB 0.592 41.411 40.800 0.031 0.000 0.947 256 D HN 0.784 nan 8.370 nan 0.000 0.509 257 G N 0.261 109.074 108.800 0.022 0.000 2.316 257 G HA2 0.346 4.306 3.960 -0.000 0.000 0.296 257 G HA3 0.346 4.306 3.960 -0.000 0.000 0.296 257 G C -1.949 172.951 174.900 0.000 0.000 1.399 257 G CA -0.686 44.422 45.100 0.013 0.000 0.833 257 G HN -0.071 nan 8.290 nan 0.000 0.565 258 I N 0.558 121.116 120.570 -0.020 0.000 2.647 258 I HA 0.558 4.728 4.170 -0.000 0.000 0.295 258 I C -0.267 175.803 176.117 -0.079 0.000 1.078 258 I CA -0.751 60.526 61.300 -0.038 0.000 1.048 258 I CB 2.005 39.989 38.000 -0.028 0.000 1.239 258 I HN 0.605 nan 8.210 nan 0.000 0.421 259 M N 5.213 124.751 119.600 -0.103 0.000 2.294 259 M HA 0.421 4.901 4.480 -0.000 0.000 0.335 259 M C -1.187 175.067 176.300 -0.077 0.000 1.079 259 M CA -0.790 54.428 55.300 -0.138 0.000 0.982 259 M CB 1.763 34.217 32.600 -0.244 0.000 1.651 259 M HN 0.244 nan 8.290 nan 0.000 0.437 260 V N 4.893 124.770 119.914 -0.061 0.000 2.313 260 V HA 0.252 4.372 4.120 -0.000 0.000 0.252 260 V C 0.529 176.607 176.094 -0.026 0.000 1.112 260 V CA -0.464 61.816 62.300 -0.033 0.000 0.984 260 V CB 0.008 31.818 31.823 -0.022 0.000 1.157 260 V HN 0.870 nan 8.190 nan 0.000 0.493 261 A N 5.443 128.254 122.820 -0.014 0.000 2.922 261 A HA 0.332 4.652 4.320 -0.000 0.000 0.298 261 A C 1.474 179.071 177.584 0.020 0.000 1.588 261 A CA -0.329 51.708 52.037 0.001 0.000 1.288 261 A CB -0.305 18.707 19.000 0.020 0.000 1.130 261 A HN 0.837 nan 8.150 nan 0.000 0.557 262 R N 1.558 122.067 120.500 0.014 0.000 2.092 262 R HA -0.115 4.225 4.340 -0.000 0.000 0.231 262 R C 2.298 178.617 176.300 0.032 0.000 1.119 262 R CA 1.438 57.550 56.100 0.021 0.000 0.970 262 R CB -0.095 30.214 30.300 0.014 0.000 0.864 262 R HN 0.690 nan 8.270 nan 0.000 0.440 263 G N 1.353 110.173 108.800 0.034 0.000 2.433 263 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.216 263 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.216 263 G C 0.974 175.903 174.900 0.049 0.000 1.186 263 G CA 0.952 46.076 45.100 0.040 0.000 0.779 263 G HN 0.218 nan 8.290 nan 0.000 0.543 264 D N 0.242 120.674 120.400 0.054 0.000 2.117 264 D HA -0.060 4.580 4.640 -0.000 0.000 0.197 264 D C 2.478 178.829 176.300 0.085 0.000 0.987 264 D CA 0.353 54.393 54.000 0.066 0.000 0.829 264 D CB -0.092 40.749 40.800 0.067 0.000 0.961 264 D HN 0.202 nan 8.370 nan 0.000 0.460 265 L N 0.952 122.221 121.223 0.076 0.000 2.083 265 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 265 L C 2.416 179.329 176.870 0.070 0.000 1.083 265 L CA 1.399 56.283 54.840 0.073 0.000 0.752 265 L CB -0.545 41.543 42.059 0.049 0.000 0.899 265 L HN 0.048 nan 8.230 nan 0.000 0.433 266 G N -0.866 107.971 108.800 0.061 0.000 2.422 266 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 266 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 266 G C 1.489 176.434 174.900 0.076 0.000 1.146 266 G CA 1.020 46.155 45.100 0.057 0.000 0.769 266 G HN 0.336 nan 8.290 nan 0.000 0.547 267 V N 0.618 120.590 119.914 0.096 0.000 2.323 267 V HA -0.084 4.036 4.120 -0.000 0.000 0.244 267 V C 2.638 178.838 176.094 0.175 0.000 1.041 267 V CA 1.714 64.103 62.300 0.149 0.000 1.025 267 V CB -0.503 31.416 31.823 0.160 0.000 0.656 267 V HN 0.255 nan 8.190 nan 0.000 0.451 268 E N -0.081 120.199 120.200 0.133 0.000 2.110 268 E HA -0.007 4.343 4.350 -0.000 0.000 0.193 268 E C 0.442 177.112 176.600 0.117 0.000 0.988 268 E CA 0.948 57.419 56.400 0.118 0.000 0.804 268 E CB 0.096 29.879 29.700 0.138 0.000 0.745 268 E HN 0.471 nan 8.360 nan 0.000 0.458 269 I N 0.484 121.122 120.570 0.113 0.000 2.689 269 I HA 0.205 4.375 4.170 -0.000 0.000 0.299 269 I C -2.510 173.662 176.117 0.091 0.000 1.059 269 I CA -2.827 58.538 61.300 0.109 0.000 1.055 269 I CB 2.258 40.310 38.000 0.088 0.000 1.243 269 I HN -0.268 nan 8.210 nan 0.000 0.425 270 P HA 0.146 nan 4.420 nan 0.000 0.271 270 P C -0.099 177.229 177.300 0.047 0.000 1.216 270 P CA -0.171 62.966 63.100 0.062 0.000 0.776 270 P CB 0.884 32.615 31.700 0.053 0.000 0.881 271 A N 3.960 126.802 122.820 0.038 0.000 1.902 271 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 271 A C 1.838 179.435 177.584 0.022 0.000 1.181 271 A CA 1.468 53.523 52.037 0.029 0.000 0.623 271 A CB -1.069 17.944 19.000 0.021 0.000 0.818 271 A HN 0.667 nan 8.150 nan 0.000 0.443 272 E N 0.574 120.786 120.200 0.019 0.000 2.333 272 E HA -0.215 4.135 4.350 -0.000 0.000 0.198 272 E C 1.425 178.034 176.600 0.016 0.000 1.007 272 E CA 1.518 57.927 56.400 0.015 0.000 0.845 272 E CB -0.264 29.444 29.700 0.013 0.000 0.766 272 E HN 0.598 nan 8.360 nan 0.000 0.507 273 K N 0.504 120.917 120.400 0.021 0.000 2.243 273 K HA 0.059 4.379 4.320 -0.000 0.000 0.201 273 K C 2.113 178.720 176.600 0.013 0.000 1.051 273 K CA 0.650 56.948 56.287 0.018 0.000 0.970 273 K CB 0.167 32.682 32.500 0.025 0.000 0.755 273 K HN -0.067 nan 8.250 nan 0.000 0.465 274 V N 0.814 120.738 119.914 0.017 0.000 2.453 274 V HA -0.257 3.863 4.120 -0.000 0.000 0.252 274 V C 2.042 178.142 176.094 0.010 0.000 1.068 274 V CA 1.518 63.826 62.300 0.014 0.000 1.070 274 V CB -0.490 31.344 31.823 0.019 0.000 0.664 274 V HN 0.083 nan 8.190 nan 0.000 0.461 275 V N -0.300 119.620 119.914 0.011 0.000 2.295 275 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 275 V C 2.402 178.500 176.094 0.007 0.000 1.049 275 V CA 1.971 64.278 62.300 0.011 0.000 1.024 275 V CB -0.496 31.335 31.823 0.012 0.000 0.648 275 V HN 0.436 nan 8.190 nan 0.000 0.447 276 V N 0.442 120.358 119.914 0.003 0.000 2.343 276 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 276 V C 2.723 178.812 176.094 -0.007 0.000 1.051 276 V CA 1.950 64.249 62.300 -0.003 0.000 1.036 276 V CB -1.232 30.588 31.823 -0.004 0.000 0.654 276 V HN 0.551 nan 8.190 nan 0.000 0.451 277 A N -0.788 122.026 122.820 -0.009 0.000 1.933 277 A HA -0.309 4.011 4.320 -0.000 0.000 0.218 277 A C 2.264 179.843 177.584 -0.009 0.000 1.175 277 A CA 2.138 54.165 52.037 -0.016 0.000 0.628 277 A CB -0.529 18.460 19.000 -0.019 0.000 0.814 277 A HN 0.599 nan 8.150 nan 0.000 0.444 278 Q N -0.273 119.526 119.800 -0.002 0.000 2.050 278 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 278 Q C 2.026 178.030 176.000 0.007 0.000 0.980 278 Q CA 1.927 57.731 55.803 0.003 0.000 0.840 278 Q CB -0.120 28.623 28.738 0.009 0.000 0.898 278 Q HN 0.684 nan 8.270 nan 0.000 0.424 279 K N -0.014 120.390 120.400 0.007 0.000 2.026 279 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 279 K C 2.059 178.659 176.600 -0.000 0.000 1.048 279 K CA 1.472 57.763 56.287 0.006 0.000 0.929 279 K CB -0.123 32.378 32.500 0.001 0.000 0.713 279 K HN 0.245 nan 8.250 nan 0.000 0.439 280 I N 0.652 121.218 120.570 -0.007 0.000 2.179 280 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 280 I C 1.945 178.057 176.117 -0.009 0.000 1.088 280 I CA 0.935 62.228 61.300 -0.011 0.000 1.357 280 I CB -0.149 37.840 38.000 -0.019 0.000 1.051 280 I HN 0.038 nan 8.210 nan 0.000 0.409 281 L N 0.149 121.366 121.223 -0.009 0.000 2.093 281 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 281 L C 2.315 179.185 176.870 0.000 0.000 1.085 281 L CA 1.762 56.596 54.840 -0.010 0.000 0.755 281 L CB -0.579 41.471 42.059 -0.015 0.000 0.904 281 L HN 0.174 nan 8.230 nan 0.000 0.435 282 I N -1.598 118.978 120.570 0.010 0.000 2.252 282 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 282 I C 2.414 178.555 176.117 0.041 0.000 1.102 282 I CA 1.092 62.409 61.300 0.028 0.000 1.385 282 I CB -0.287 37.738 38.000 0.042 0.000 1.064 282 I HN 0.177 nan 8.210 nan 0.000 0.414 283 S N 0.525 116.245 115.700 0.033 0.000 2.368 283 S HA -0.172 4.298 4.470 -0.000 0.000 0.225 283 S C 1.963 176.576 174.600 0.022 0.000 1.030 283 S CA 1.276 59.496 58.200 0.034 0.000 0.999 283 S CB -0.137 63.067 63.200 0.006 0.000 0.844 283 S HN 0.346 nan 8.310 nan 0.000 0.459 284 K N 0.216 120.620 120.400 0.007 0.000 2.097 284 K HA -0.051 4.269 4.320 -0.000 0.000 0.206 284 K C 2.304 178.904 176.600 0.000 0.000 1.049 284 K CA 1.231 57.517 56.287 -0.000 0.000 0.933 284 K CB -0.314 32.181 32.500 -0.008 0.000 0.717 284 K HN 0.354 nan 8.250 nan 0.000 0.442 285 C N 0.878 120.180 119.300 0.003 0.000 2.446 285 C HA -0.069 4.391 4.460 -0.000 0.000 0.277 285 C C 2.181 177.172 174.990 0.001 0.000 1.275 285 C CA 0.781 59.799 59.018 0.001 0.000 1.727 285 C CB -1.209 26.531 27.740 0.000 0.000 2.010 285 C HN 0.544 nan 8.230 nan 0.000 0.486 286 N N 0.520 119.232 118.700 0.020 0.000 2.120 286 N HA -0.126 4.614 4.740 -0.000 0.000 0.188 286 N C 1.574 177.075 175.510 -0.014 0.000 1.024 286 N CA 1.206 54.268 53.050 0.021 0.000 0.852 286 N CB -0.129 38.429 38.487 0.119 0.000 1.003 286 N HN 0.280 nan 8.380 nan 0.000 0.424 287 V N 1.273 121.187 119.914 -0.000 0.000 2.358 287 V HA -0.168 3.952 4.120 -0.000 0.000 0.246 287 V C 2.176 178.253 176.094 -0.029 0.000 1.047 287 V CA 1.785 64.074 62.300 -0.018 0.000 1.035 287 V CB -0.681 31.140 31.823 -0.004 0.000 0.658 287 V HN 0.361 nan 8.190 nan 0.000 0.452 288 A N -0.415 122.394 122.820 -0.019 0.000 2.168 288 A HA 0.278 4.598 4.320 -0.000 0.000 0.215 288 A C 1.926 179.498 177.584 -0.021 0.000 1.152 288 A CA 1.010 53.038 52.037 -0.015 0.000 0.716 288 A CB -0.772 18.222 19.000 -0.010 0.000 0.794 288 A HN 1.287 nan 8.150 nan 0.000 0.465 289 G N -0.468 108.307 108.800 -0.041 0.000 2.273 289 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.280 289 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.280 289 G C -0.044 174.845 174.900 -0.017 0.000 1.047 289 G CA 0.784 45.858 45.100 -0.042 0.000 0.869 289 G HN 0.626 nan 8.290 nan 0.000 0.502 290 K N 0.330 120.722 120.400 -0.013 0.000 2.318 290 K HA 0.524 4.844 4.320 -0.000 0.000 0.249 290 K C -2.560 174.038 176.600 -0.002 0.000 0.942 290 K CA -2.252 54.034 56.287 -0.002 0.000 0.808 290 K CB 2.749 35.249 32.500 0.001 0.000 1.189 290 K HN -0.034 nan 8.250 nan 0.000 0.428 291 P HA 0.012 nan 4.420 nan 0.000 0.268 291 P C -0.911 176.387 177.300 -0.003 0.000 1.204 291 P CA -0.257 62.847 63.100 0.006 0.000 0.768 291 P CB 0.866 32.578 31.700 0.021 0.000 0.842 292 V N 4.982 124.891 119.914 -0.008 0.000 2.709 292 V HA 0.512 4.632 4.120 -0.000 0.000 0.308 292 V C -0.717 175.360 176.094 -0.028 0.000 1.062 292 V CA -0.958 61.331 62.300 -0.019 0.000 0.901 292 V CB 1.578 33.397 31.823 -0.007 0.000 1.003 292 V HN 0.295 nan 8.190 nan 0.000 0.425 293 I N 6.192 126.727 120.570 -0.058 0.000 2.433 293 I HA 0.461 4.631 4.170 -0.000 0.000 0.292 293 I C -0.320 175.759 176.117 -0.063 0.000 1.001 293 I CA -0.389 60.867 61.300 -0.074 0.000 1.119 293 I CB 1.713 39.624 38.000 -0.149 0.000 1.289 293 I HN 0.623 nan 8.210 nan 0.000 0.438 294 C N 6.320 125.595 119.300 -0.040 0.000 2.285 294 C HA 0.864 5.324 4.460 -0.000 0.000 0.335 294 C C 0.395 175.367 174.990 -0.030 0.000 1.267 294 C CA -0.122 58.879 59.018 -0.029 0.000 1.762 294 C CB -0.641 27.091 27.740 -0.014 0.000 2.365 294 C HN 0.859 nan 8.230 nan 0.000 0.527 295 A N 4.815 127.618 122.820 -0.029 0.000 2.401 295 A HA 0.920 5.240 4.320 -0.000 0.000 0.310 295 A C -0.171 177.411 177.584 -0.004 0.000 1.075 295 A CA -0.141 51.883 52.037 -0.021 0.000 0.746 295 A CB 1.033 20.010 19.000 -0.039 0.000 1.277 295 A HN 1.335 nan 8.150 nan 0.000 0.425 296 T N 1.336 115.893 114.554 0.005 0.000 0.554 296 T HA -0.086 4.264 4.350 -0.000 0.000 0.772 296 T C 0.105 174.811 174.700 0.010 0.000 0.992 296 T CA 0.488 62.595 62.100 0.013 0.000 4.069 296 T CB -1.131 67.749 68.868 0.020 0.000 2.299 296 T HN 1.487 nan 8.240 nan 0.000 0.397 297 Q N 0.094 119.900 119.800 0.009 0.000 2.452 297 Q HA -0.271 4.069 4.340 -0.000 0.000 0.248 297 Q C 1.555 177.553 176.000 -0.003 0.000 0.874 297 Q CA 1.517 57.323 55.803 0.005 0.000 1.208 297 Q CB -1.076 27.670 28.738 0.014 0.000 1.569 297 Q HN 0.817 nan 8.270 nan 0.000 0.579 298 M N -0.490 119.106 119.600 -0.006 0.000 2.117 298 M HA -0.116 4.364 4.480 -0.000 0.000 0.262 298 M C 1.063 177.350 176.300 -0.023 0.000 1.065 298 M CA 1.519 56.812 55.300 -0.011 0.000 1.114 298 M CB 0.168 32.763 32.600 -0.009 0.000 1.361 298 M HN 0.235 nan 8.290 nan 0.000 0.408 299 L N -0.391 120.814 121.223 -0.031 0.000 2.913 299 L HA 0.158 4.498 4.340 -0.000 0.000 0.283 299 L C 1.029 177.858 176.870 -0.068 0.000 1.336 299 L CA -0.332 54.475 54.840 -0.055 0.000 0.815 299 L CB 0.463 42.487 42.059 -0.058 0.000 1.188 299 L HN 0.085 nan 8.230 nan 0.000 0.551 300 E N 0.945 121.116 120.200 -0.048 0.000 2.118 300 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 300 E C 2.089 178.635 176.600 -0.090 0.000 0.992 300 E CA 2.004 58.372 56.400 -0.054 0.000 0.804 300 E CB 0.277 29.980 29.700 0.005 0.000 0.741 300 E HN 0.538 nan 8.360 nan 0.000 0.458 301 S N -0.542 115.143 115.700 -0.025 0.000 2.474 301 S HA -0.084 4.386 4.470 -0.000 0.000 0.235 301 S C 1.822 176.395 174.600 -0.046 0.000 0.997 301 S CA 0.816 59.049 58.200 0.056 0.000 0.949 301 S CB -0.179 63.062 63.200 0.068 0.000 0.766 301 S HN 0.285 nan 8.310 nan 0.000 0.517 302 M N 1.473 120.994 119.600 -0.131 0.000 2.618 302 M HA 0.051 4.531 4.480 -0.000 0.000 0.240 302 M C 1.385 177.607 176.300 -0.130 0.000 1.123 302 M CA 0.518 55.748 55.300 -0.115 0.000 1.060 302 M CB -0.477 32.046 32.600 -0.129 0.000 1.535 302 M HN 0.381 nan 8.290 nan 0.000 0.507 303 T N -0.273 114.034 114.554 -0.411 0.000 2.833 303 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 303 T C 0.842 175.213 174.700 -0.548 0.000 1.054 303 T CA 1.409 63.136 62.100 -0.622 0.000 1.135 303 T CB -0.161 68.069 68.868 -1.062 0.000 0.869 303 T HN 0.520 nan 8.240 nan 0.000 0.466 304 Y N 0.042 120.414 120.300 0.120 0.000 2.432 304 Y HA 0.448 4.998 4.550 -0.000 0.000 0.252 304 Y C 0.622 176.683 175.900 0.269 0.000 1.097 304 Y CA -1.219 56.970 58.100 0.148 0.000 1.250 304 Y CB -0.115 38.387 38.460 0.070 0.000 1.245 304 Y HN 0.082 nan 8.280 nan 0.000 0.522 305 N N 2.615 121.481 118.700 0.277 0.000 2.292 305 N HA 0.217 4.957 4.740 -0.000 0.000 0.303 305 N C -2.261 173.037 175.510 -0.354 0.000 1.140 305 N CA -2.043 51.052 53.050 0.075 0.000 0.788 305 N CB 2.100 40.604 38.487 0.028 0.000 1.361 305 N HN -0.247 nan 8.380 nan 0.000 0.489 306 P HA -0.070 nan 4.420 nan 0.000 0.221 306 P C -0.247 176.817 177.300 -0.394 0.000 1.150 306 P CA 1.258 63.858 63.100 -0.833 0.000 0.800 306 P CB 0.559 31.934 31.700 -0.542 0.000 0.787 307 R N -0.221 120.104 120.500 -0.293 0.000 2.744 307 R HA 0.485 4.825 4.340 -0.000 0.000 0.279 307 R C -2.541 173.569 176.300 -0.318 0.000 0.977 307 R CA -2.208 53.706 56.100 -0.311 0.000 0.906 307 R CB 2.061 32.267 30.300 -0.157 0.000 1.197 307 R HN -0.020 nan 8.270 nan 0.000 0.463 308 P HA 0.077 nan 4.420 nan 0.000 0.278 308 P C -0.496 176.701 177.300 -0.172 0.000 1.258 308 P CA -0.453 62.464 63.100 -0.305 0.000 0.811 308 P CB 0.916 32.374 31.700 -0.404 0.000 1.063 309 T N -0.503 113.988 114.554 -0.105 0.000 2.813 309 T HA 0.154 4.504 4.350 -0.000 0.000 0.297 309 T C 1.505 176.176 174.700 -0.049 0.000 1.036 309 T CA -0.531 61.534 62.100 -0.059 0.000 1.044 309 T CB 0.434 69.283 68.868 -0.032 0.000 0.993 309 T HN 0.185 nan 8.240 nan 0.000 0.535 310 R N 1.504 121.989 120.500 -0.026 0.000 2.081 310 R HA -0.004 4.336 4.340 -0.000 0.000 0.235 310 R C 2.722 179.018 176.300 -0.007 0.000 1.131 310 R CA 1.590 57.682 56.100 -0.012 0.000 0.960 310 R CB -1.854 28.445 30.300 -0.002 0.000 0.856 310 R HN 0.867 nan 8.270 nan 0.000 0.436 311 A N 1.339 124.155 122.820 -0.007 0.000 1.933 311 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 311 A C 2.078 179.658 177.584 -0.007 0.000 1.175 311 A CA 1.489 53.525 52.037 -0.002 0.000 0.628 311 A CB -0.319 18.680 19.000 -0.001 0.000 0.814 311 A HN 0.380 nan 8.150 nan 0.000 0.444 312 E N -0.543 119.645 120.200 -0.020 0.000 2.047 312 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 312 E C 1.985 178.569 176.600 -0.026 0.000 0.987 312 E CA 1.246 57.629 56.400 -0.029 0.000 0.799 312 E CB -0.235 29.434 29.700 -0.052 0.000 0.752 312 E HN 0.365 nan 8.360 nan 0.000 0.449 313 V N 0.910 120.809 119.914 -0.025 0.000 2.343 313 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 313 V C 2.457 178.550 176.094 -0.001 0.000 1.051 313 V CA 1.970 64.267 62.300 -0.005 0.000 1.036 313 V CB -0.529 31.302 31.823 0.014 0.000 0.654 313 V HN 0.321 nan 8.190 nan 0.000 0.451 314 S N -0.077 115.627 115.700 0.007 0.000 2.383 314 S HA -0.288 4.182 4.470 -0.000 0.000 0.229 314 S C 1.868 176.474 174.600 0.010 0.000 1.030 314 S CA 2.183 60.396 58.200 0.021 0.000 1.002 314 S CB -0.492 62.727 63.200 0.033 0.000 0.829 314 S HN 0.697 nan 8.310 nan 0.000 0.467 315 D N 0.384 120.785 120.400 0.001 0.000 2.097 315 D HA -0.084 4.556 4.640 -0.000 0.000 0.195 315 D C 1.902 178.187 176.300 -0.025 0.000 0.989 315 D CA 1.518 55.515 54.000 -0.004 0.000 0.827 315 D CB -0.332 40.466 40.800 -0.004 0.000 0.966 315 D HN 0.330 nan 8.370 nan 0.000 0.456 316 V N 0.739 120.633 119.914 -0.035 0.000 2.343 316 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 316 V C 2.575 178.599 176.094 -0.116 0.000 1.051 316 V CA 1.729 63.997 62.300 -0.053 0.000 1.036 316 V CB -0.992 30.811 31.823 -0.033 0.000 0.654 316 V HN 0.323 nan 8.190 nan 0.000 0.451 317 A N 0.545 123.273 122.820 -0.153 0.000 1.877 317 A HA -0.222 4.098 4.320 -0.000 0.000 0.216 317 A C 2.101 179.371 177.584 -0.524 0.000 1.186 317 A CA 1.967 53.791 52.037 -0.354 0.000 0.620 317 A CB -0.675 18.168 19.000 -0.261 0.000 0.822 317 A HN 0.590 nan 8.150 nan 0.000 0.443 318 N N 0.422 119.028 118.700 -0.156 0.000 2.223 318 N HA -0.114 4.626 4.740 -0.000 0.000 0.185 318 N C 1.880 177.406 175.510 0.027 0.000 1.016 318 N CA 1.360 54.445 53.050 0.058 0.000 0.863 318 N CB -0.444 38.122 38.487 0.131 0.000 0.983 318 N HN 0.494 nan 8.380 nan 0.000 0.429 319 A N 0.927 123.728 122.820 -0.031 0.000 1.933 319 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 319 A C 2.526 180.108 177.584 -0.004 0.000 1.175 319 A CA 1.187 53.220 52.037 -0.008 0.000 0.628 319 A CB -0.670 18.318 19.000 -0.019 0.000 0.814 319 A HN 0.102 nan 8.150 nan 0.000 0.444 320 V N -0.975 118.888 119.914 -0.086 0.000 2.343 320 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 320 V C 2.311 178.452 176.094 0.079 0.000 1.051 320 V CA 1.906 64.167 62.300 -0.065 0.000 1.036 320 V CB -1.065 30.643 31.823 -0.190 0.000 0.654 320 V HN 0.528 nan 8.190 nan 0.000 0.451 321 F N 0.908 120.907 119.950 0.082 0.000 2.171 321 F HA -0.114 4.413 4.527 -0.000 0.000 0.300 321 F C 2.232 178.076 175.800 0.073 0.000 1.090 321 F CA 1.064 59.113 58.000 0.082 0.000 1.293 321 F CB -1.395 37.631 39.000 0.044 0.000 1.013 321 F HN 0.253 nan 8.300 nan 0.000 0.486 322 N N -0.720 118.119 118.700 0.232 0.000 2.289 322 N HA -0.033 4.707 4.740 -0.000 0.000 0.184 322 N C 1.450 177.069 175.510 0.181 0.000 1.016 322 N CA 0.810 53.945 53.050 0.143 0.000 0.872 322 N CB -0.165 38.379 38.487 0.094 0.000 0.973 322 N HN 0.396 nan 8.380 nan 0.000 0.433 323 G N -0.149 108.809 108.800 0.262 0.000 2.154 323 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.186 323 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.186 323 G C -0.004 174.989 174.900 0.156 0.000 1.000 323 G CA -0.068 45.243 45.100 0.351 0.000 0.664 323 G HN 0.475 nan 8.290 nan 0.000 0.513 324 A N 0.060 122.935 122.820 0.092 0.000 2.477 324 A HA 0.565 4.885 4.320 -0.000 0.000 0.246 324 A C 1.085 178.679 177.584 0.017 0.000 1.078 324 A CA 1.040 53.101 52.037 0.040 0.000 0.770 324 A CB 0.220 19.233 19.000 0.022 0.000 1.011 324 A HN 0.292 nan 8.150 nan 0.000 0.494 325 D N 0.353 120.756 120.400 0.005 0.000 2.117 325 D HA -0.022 4.618 4.640 -0.000 0.000 0.197 325 D C 0.131 176.435 176.300 0.007 0.000 0.987 325 D CA 1.622 55.623 54.000 0.001 0.000 0.829 325 D CB -0.008 40.794 40.800 0.003 0.000 0.961 325 D HN 0.552 nan 8.370 nan 0.000 0.460 326 C N -0.043 119.259 119.300 0.003 0.000 2.712 326 C HA 0.688 5.148 4.460 -0.000 0.000 0.308 326 C C -0.193 174.795 174.990 -0.004 0.000 1.201 326 C CA -1.222 57.799 59.018 0.006 0.000 1.554 326 C CB 1.481 29.229 27.740 0.013 0.000 2.117 326 C HN 0.128 nan 8.230 nan 0.000 0.480 327 V N 0.691 120.606 119.914 0.002 0.000 2.919 327 V HA 0.834 4.954 4.120 -0.000 0.000 0.316 327 V C -0.575 175.526 176.094 0.011 0.000 1.077 327 V CA -0.690 61.609 62.300 -0.002 0.000 0.977 327 V CB 1.774 33.593 31.823 -0.006 0.000 1.039 327 V HN 1.006 nan 8.190 nan 0.000 0.441 328 M N 2.865 122.469 119.600 0.008 0.000 2.518 328 M HA 0.744 5.224 4.480 -0.000 0.000 0.300 328 M C -2.122 174.195 176.300 0.027 0.000 1.175 328 M CA -0.627 54.687 55.300 0.024 0.000 0.890 328 M CB 2.248 34.854 32.600 0.010 0.000 1.710 328 M HN 0.744 nan 8.290 nan 0.000 0.453 329 L N 2.436 123.685 121.223 0.042 0.000 2.362 329 L HA 0.551 4.891 4.340 -0.000 0.000 0.275 329 L C -0.198 176.700 176.870 0.046 0.000 0.998 329 L CA -0.284 54.577 54.840 0.035 0.000 0.820 329 L CB 2.185 44.264 42.059 0.033 0.000 1.270 329 L HN 0.852 nan 8.230 nan 0.000 0.415 330 S N 1.062 116.781 115.700 0.032 0.000 3.026 330 S HA 0.153 4.623 4.470 -0.000 0.000 0.169 330 S C 1.570 176.182 174.600 0.021 0.000 0.680 330 S CA 0.470 58.695 58.200 0.042 0.000 0.826 330 S CB -0.093 63.133 63.200 0.043 0.000 0.779 330 S HN 0.866 nan 8.310 nan 0.000 0.664 331 G N 1.240 110.039 108.800 -0.003 0.000 2.422 331 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.218 331 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.218 331 G C 1.037 175.903 174.900 -0.056 0.000 1.140 331 G CA 0.877 45.958 45.100 -0.031 0.000 0.775 331 G HN 0.499 nan 8.290 nan 0.000 0.545 332 E N 0.249 120.412 120.200 -0.061 0.000 2.160 332 E HA -0.096 4.254 4.350 -0.000 0.000 0.195 332 E C 2.714 179.296 176.600 -0.031 0.000 0.991 332 E CA 1.751 58.106 56.400 -0.075 0.000 0.810 332 E CB -0.230 29.436 29.700 -0.057 0.000 0.742 332 E HN 0.604 nan 8.360 nan 0.000 0.466 333 T N -2.847 111.705 114.554 -0.004 0.000 3.023 333 T HA 0.357 4.707 4.350 -0.000 0.000 0.249 333 T C 1.973 176.683 174.700 0.018 0.000 1.050 333 T CA 0.266 62.375 62.100 0.015 0.000 1.088 333 T CB 0.120 69.010 68.868 0.036 0.000 0.946 333 T HN 0.130 nan 8.240 nan 0.000 0.480 334 A N 3.314 126.143 122.820 0.014 0.000 1.873 334 A HA 0.044 4.364 4.320 -0.000 0.000 0.215 334 A C 2.187 179.767 177.584 -0.006 0.000 1.186 334 A CA 1.544 53.590 52.037 0.016 0.000 0.616 334 A CB -0.340 18.663 19.000 0.005 0.000 0.823 334 A HN 0.724 nan 8.150 nan 0.000 0.442 335 K N -1.270 119.114 120.400 -0.028 0.000 2.483 335 K HA 0.307 4.627 4.320 -0.000 0.000 0.206 335 K C 0.681 177.256 176.600 -0.041 0.000 1.086 335 K CA 0.243 56.511 56.287 -0.033 0.000 1.052 335 K CB 0.154 32.631 32.500 -0.038 0.000 0.904 335 K HN 0.247 nan 8.250 nan 0.000 0.557 336 G N 1.504 110.268 108.800 -0.059 0.000 2.606 336 G HA2 0.072 4.032 3.960 -0.000 0.000 0.252 336 G HA3 0.072 4.032 3.960 -0.000 0.000 0.252 336 G C 0.170 175.009 174.900 -0.102 0.000 1.206 336 G CA -0.539 44.508 45.100 -0.088 0.000 0.861 336 G HN 0.063 nan 8.290 nan 0.000 0.561 337 K N -0.408 119.894 120.400 -0.163 0.000 2.097 337 K HA -0.057 4.263 4.320 -0.000 0.000 0.205 337 K C -0.147 176.128 176.600 -0.542 0.000 1.050 337 K CA 1.225 57.269 56.287 -0.405 0.000 0.938 337 K CB -0.021 32.112 32.500 -0.610 0.000 0.718 337 K HN 0.577 nan 8.250 nan 0.000 0.442 338 Y N -0.476 119.812 120.300 -0.019 0.000 2.562 338 Y HA 0.212 4.762 4.550 -0.000 0.000 0.363 338 Y C -2.112 173.787 175.900 -0.001 0.000 0.991 338 Y CA -2.168 55.931 58.100 -0.002 0.000 1.121 338 Y CB 1.042 39.503 38.460 0.002 0.000 1.159 338 Y HN 0.035 nan 8.280 nan 0.000 0.651 339 P HA -0.132 nan 4.420 nan 0.000 0.215 339 P C 1.122 178.469 177.300 0.079 0.000 1.157 339 P CA 1.552 64.691 63.100 0.064 0.000 0.863 339 P CB 0.508 32.229 31.700 0.034 0.000 0.787 340 N N -0.142 118.607 118.700 0.082 0.000 2.120 340 N HA -0.148 4.592 4.740 -0.000 0.000 0.188 340 N C 1.620 177.186 175.510 0.093 0.000 1.024 340 N CA 1.291 54.387 53.050 0.077 0.000 0.852 340 N CB -0.669 37.858 38.487 0.067 0.000 1.003 340 N HN 0.228 nan 8.380 nan 0.000 0.424 341 E N 0.696 120.973 120.200 0.128 0.000 2.110 341 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 341 E C 1.994 178.692 176.600 0.163 0.000 0.988 341 E CA 0.307 56.791 56.400 0.140 0.000 0.804 341 E CB -0.421 29.364 29.700 0.142 0.000 0.745 341 E HN 0.055 nan 8.360 nan 0.000 0.458 342 V N 0.007 119.999 119.914 0.129 0.000 2.343 342 V HA -0.218 3.902 4.120 -0.000 0.000 0.247 342 V C 2.001 178.159 176.094 0.107 0.000 1.051 342 V CA 1.417 63.776 62.300 0.099 0.000 1.036 342 V CB -0.095 31.756 31.823 0.047 0.000 0.654 342 V HN 0.150 nan 8.190 nan 0.000 0.451 343 V N -0.322 119.643 119.914 0.085 0.000 2.343 343 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 343 V C 2.448 178.583 176.094 0.069 0.000 1.051 343 V CA 2.467 64.809 62.300 0.069 0.000 1.036 343 V CB -0.709 31.149 31.823 0.057 0.000 0.654 343 V HN 0.604 nan 8.190 nan 0.000 0.451 344 Q N -1.546 118.295 119.800 0.068 0.000 2.124 344 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 344 Q C 2.181 178.185 176.000 0.008 0.000 0.977 344 Q CA 2.028 57.846 55.803 0.026 0.000 0.850 344 Q CB -0.230 28.511 28.738 0.005 0.000 0.901 344 Q HN 0.707 nan 8.270 nan 0.000 0.429 345 Y N 0.125 120.418 120.300 -0.012 0.000 2.181 345 Y HA -0.223 4.327 4.550 -0.000 0.000 0.288 345 Y C 2.267 178.152 175.900 -0.024 0.000 1.146 345 Y CA 1.539 59.626 58.100 -0.023 0.000 1.164 345 Y CB -0.044 38.398 38.460 -0.030 0.000 0.982 345 Y HN 0.126 nan 8.280 nan 0.000 0.515 346 M N -1.019 118.674 119.600 0.155 0.000 2.117 346 M HA -0.200 4.280 4.480 -0.000 0.000 0.262 346 M C 2.287 178.607 176.300 0.035 0.000 1.065 346 M CA 1.855 57.202 55.300 0.078 0.000 1.114 346 M CB -0.148 32.484 32.600 0.053 0.000 1.361 346 M HN 0.277 nan 8.290 nan 0.000 0.408 347 A N 0.288 123.122 122.820 0.024 0.000 1.902 347 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 347 A C 2.138 179.709 177.584 -0.021 0.000 1.181 347 A CA 1.925 53.964 52.037 0.002 0.000 0.623 347 A CB -0.773 18.230 19.000 0.006 0.000 0.818 347 A HN 0.613 nan 8.150 nan 0.000 0.443 348 R N -0.216 120.261 120.500 -0.038 0.000 2.081 348 R HA -0.072 4.268 4.340 -0.000 0.000 0.235 348 R C 1.894 178.166 176.300 -0.047 0.000 1.131 348 R CA 1.761 57.820 56.100 -0.067 0.000 0.960 348 R CB -0.407 29.806 30.300 -0.145 0.000 0.856 348 R HN 0.531 nan 8.270 nan 0.000 0.436 349 I N 0.195 120.755 120.570 -0.016 0.000 2.286 349 I HA -0.340 3.830 4.170 -0.000 0.000 0.248 349 I C 2.458 178.539 176.117 -0.059 0.000 1.115 349 I CA 0.921 62.210 61.300 -0.018 0.000 1.392 349 I CB -0.272 37.737 38.000 0.015 0.000 1.065 349 I HN 0.324 nan 8.210 nan 0.000 0.418 350 C N 0.098 119.365 119.300 -0.055 0.000 2.429 350 C HA -0.130 4.330 4.460 -0.000 0.000 0.277 350 C C 2.682 177.624 174.990 -0.079 0.000 1.262 350 C CA 0.372 59.344 59.018 -0.076 0.000 1.733 350 C CB -0.826 26.883 27.740 -0.050 0.000 2.010 350 C HN 0.455 nan 8.230 nan 0.000 0.483 351 L N 1.283 122.467 121.223 -0.065 0.000 2.056 351 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 351 L C 2.474 179.312 176.870 -0.053 0.000 1.078 351 L CA 1.986 56.783 54.840 -0.071 0.000 0.749 351 L CB -1.086 40.937 42.059 -0.059 0.000 0.901 351 L HN 0.306 nan 8.230 nan 0.000 0.433 352 E N -0.347 119.828 120.200 -0.041 0.000 2.077 352 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 352 E C 2.140 178.749 176.600 0.014 0.000 0.989 352 E CA 1.498 57.889 56.400 -0.015 0.000 0.800 352 E CB -0.282 29.407 29.700 -0.018 0.000 0.746 352 E HN 0.436 nan 8.360 nan 0.000 0.452 353 A N 0.462 123.255 122.820 -0.045 0.000 1.972 353 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 353 A C 2.211 179.850 177.584 0.091 0.000 1.169 353 A CA 1.683 53.672 52.037 -0.080 0.000 0.635 353 A CB -0.643 18.059 19.000 -0.496 0.000 0.810 353 A HN 0.421 nan 8.150 nan 0.000 0.446 354 Q N -0.136 119.675 119.800 0.018 0.000 2.124 354 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 354 Q C 2.174 178.223 176.000 0.082 0.000 0.977 354 Q CA 1.699 57.522 55.803 0.033 0.000 0.850 354 Q CB -0.106 28.586 28.738 -0.077 0.000 0.901 354 Q HN 0.657 nan 8.270 nan 0.000 0.429 355 S N 0.366 116.112 115.700 0.075 0.000 2.368 355 S HA -0.138 4.332 4.470 -0.000 0.000 0.225 355 S C 1.920 176.619 174.600 0.165 0.000 1.030 355 S CA 1.048 59.306 58.200 0.098 0.000 0.999 355 S CB -0.252 62.992 63.200 0.073 0.000 0.844 355 S HN 0.552 nan 8.310 nan 0.000 0.459 356 A N 0.578 123.534 122.820 0.226 0.000 2.121 356 A HA 0.166 4.486 4.320 -0.000 0.000 0.218 356 A C 0.878 178.664 177.584 0.337 0.000 1.154 356 A CA 0.334 52.538 52.037 0.277 0.000 0.679 356 A CB -0.394 18.804 19.000 0.329 0.000 0.795 356 A HN 0.383 nan 8.150 nan 0.000 0.458 357 L N 0.797 122.227 121.223 0.346 0.000 2.455 357 L HA 0.156 4.496 4.340 -0.000 0.000 0.272 357 L C 0.074 177.089 176.870 0.243 0.000 1.174 357 L CA -0.018 55.015 54.840 0.321 0.000 0.869 357 L CB 0.200 42.453 42.059 0.325 0.000 1.130 357 L HN 0.224 nan 8.230 nan 0.000 0.474 358 N N 3.092 121.869 118.700 0.129 0.000 2.602 358 N HA 0.072 4.812 4.740 -0.000 0.000 0.238 358 N C 0.606 176.244 175.510 0.214 0.000 1.084 358 N CA 0.004 53.087 53.050 0.056 0.000 0.952 358 N CB 0.595 38.910 38.487 -0.286 0.000 1.244 358 N HN 0.657 nan 8.380 nan 0.000 0.512 359 E N 1.203 121.580 120.200 0.295 0.000 2.153 359 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 359 E C 0.840 177.665 176.600 0.375 0.000 0.988 359 E CA 1.103 57.721 56.400 0.363 0.000 0.811 359 E CB -0.064 29.858 29.700 0.369 0.000 0.746 359 E HN 0.605 nan 8.360 nan 0.000 0.466 360 Y N 0.351 120.725 120.300 0.122 0.000 2.163 360 Y HA -0.218 4.332 4.550 0.000 0.000 0.288 360 Y C 2.061 177.959 175.900 -0.004 0.000 1.136 360 Y CA 1.109 59.117 58.100 -0.154 0.000 1.147 360 Y CB -0.285 38.030 38.460 -0.241 0.000 0.987 360 Y HN -0.140 nan 8.280 nan 0.000 0.509 361 V N -0.233 119.685 119.914 0.006 0.000 2.343 361 V HA -0.309 3.811 4.120 -0.000 0.000 0.247 361 V C 2.237 178.307 176.094 -0.039 0.000 1.051 361 V CA 2.099 64.342 62.300 -0.094 0.000 1.036 361 V CB -0.900 30.870 31.823 -0.088 0.000 0.654 361 V HN 0.486 nan 8.190 nan 0.000 0.451 362 F N -0.505 119.418 119.950 -0.046 0.000 2.126 362 F HA -0.270 4.257 4.527 -0.000 0.000 0.299 362 F C 2.216 178.037 175.800 0.035 0.000 1.096 362 F CA 1.911 59.913 58.000 0.002 0.000 1.255 362 F CB -0.177 38.862 39.000 0.064 0.000 0.997 362 F HN 0.273 nan 8.300 nan 0.000 0.479 363 F N 1.541 121.563 119.950 0.121 0.000 2.102 363 F HA -0.243 4.284 4.527 -0.000 0.000 0.298 363 F C 2.163 177.959 175.800 -0.008 0.000 1.105 363 F CA 1.782 59.816 58.000 0.057 0.000 1.239 363 F CB -1.073 37.916 39.000 -0.018 0.000 0.991 363 F HN -0.119 nan 8.300 nan 0.000 0.474 364 N N 0.332 118.733 118.700 -0.499 0.000 2.166 364 N HA -0.145 4.595 4.740 -0.000 0.000 0.186 364 N C 2.022 177.364 175.510 -0.280 0.000 1.019 364 N CA 1.576 54.293 53.050 -0.554 0.000 0.856 364 N CB -0.621 37.557 38.487 -0.514 0.000 0.993 364 N HN 0.302 nan 8.380 nan 0.000 0.426 365 S N 1.202 116.806 115.700 -0.160 0.000 2.368 365 S HA -0.004 4.466 4.470 -0.000 0.000 0.225 365 S C 2.139 176.706 174.600 -0.054 0.000 1.030 365 S CA 0.598 58.737 58.200 -0.101 0.000 0.999 365 S CB -0.150 62.987 63.200 -0.104 0.000 0.844 365 S HN 0.228 nan 8.310 nan 0.000 0.459 366 I N 1.521 122.094 120.570 0.005 0.000 2.226 366 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 366 I C 2.475 178.592 176.117 0.001 0.000 1.100 366 I CA 1.193 62.497 61.300 0.008 0.000 1.374 366 I CB -0.164 37.836 38.000 0.000 0.000 1.057 366 I HN 0.207 nan 8.210 nan 0.000 0.413 367 K N 1.113 121.515 120.400 0.003 0.000 2.057 367 K HA -0.197 4.123 4.320 -0.000 0.000 0.207 367 K C 2.018 178.603 176.600 -0.025 0.000 1.049 367 K CA 1.314 57.624 56.287 0.038 0.000 0.931 367 K CB 0.070 32.435 32.500 -0.225 0.000 0.714 367 K HN 0.148 nan 8.250 nan 0.000 0.440 368 K N 0.484 120.839 120.400 -0.075 0.000 2.209 368 K HA -0.124 4.196 4.320 -0.000 0.000 0.204 368 K C 1.932 178.515 176.600 -0.029 0.000 1.048 368 K CA 0.980 57.230 56.287 -0.061 0.000 0.940 368 K CB -0.085 32.369 32.500 -0.076 0.000 0.729 368 K HN 0.280 nan 8.250 nan 0.000 0.451 369 L N 1.307 122.521 121.223 -0.015 0.000 2.554 369 L HA -0.031 4.309 4.340 -0.000 0.000 0.226 369 L C 0.589 177.476 176.870 0.028 0.000 1.137 369 L CA 0.176 55.017 54.840 0.001 0.000 0.863 369 L CB -0.034 42.021 42.059 -0.006 0.000 0.985 369 L HN 0.066 nan 8.230 nan 0.000 0.451 370 Q N -0.134 119.693 119.800 0.045 0.000 2.293 370 Q HA 0.099 4.439 4.340 -0.000 0.000 0.251 370 Q C -0.409 175.640 176.000 0.082 0.000 0.930 370 Q CA -0.208 55.644 55.803 0.081 0.000 0.893 370 Q CB 0.787 29.595 28.738 0.117 0.000 1.215 370 Q HN 0.167 nan 8.270 nan 0.000 0.425 371 H N 1.445 120.522 119.070 0.011 0.000 2.848 371 H HA 0.209 4.765 4.556 -0.000 0.000 0.341 371 H C -0.932 174.398 175.328 0.003 0.000 1.060 371 H CA 0.021 56.071 56.048 0.003 0.000 1.444 371 H CB 0.351 30.113 29.762 0.000 0.000 1.446 371 H HN 0.307 nan 8.280 nan 0.000 0.583 372 I N 7.783 127.972 120.570 -0.637 0.000 2.436 372 I HA 0.259 4.429 4.170 -0.000 0.000 0.289 372 I C -1.829 173.944 176.117 -0.573 0.000 1.010 372 I CA -2.743 58.285 61.300 -0.453 0.000 1.098 372 I CB 1.181 39.052 38.000 -0.216 0.000 1.266 372 I HN 0.752 nan 8.210 nan 0.000 0.434 373 P HA 0.489 nan 4.420 nan 0.000 0.297 373 P C -0.289 176.964 177.300 -0.078 0.000 1.303 373 P CA -0.280 62.721 63.100 -0.165 0.000 0.753 373 P CB 1.196 32.857 31.700 -0.065 0.000 1.281 374 M N -1.368 118.242 119.600 0.016 0.000 2.599 374 M HA 0.230 4.710 4.480 -0.000 0.000 0.173 374 M C 0.209 176.533 176.300 0.040 0.000 2.093 374 M CA -0.121 55.235 55.300 0.094 0.000 1.278 374 M CB -0.040 32.611 32.600 0.086 0.000 1.354 374 M HN 0.441 nan 8.290 nan 0.000 0.619 375 S N -0.205 115.499 115.700 0.006 0.000 2.535 375 S HA 0.724 5.194 4.470 -0.000 0.000 0.272 375 S C 0.132 174.700 174.600 -0.053 0.000 1.149 375 S CA -0.288 57.886 58.200 -0.044 0.000 0.888 375 S CB 1.760 64.924 63.200 -0.060 0.000 1.110 375 S HN 0.493 nan 8.310 nan 0.000 0.463 376 A N 2.377 125.142 122.820 -0.091 0.000 1.892 376 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 376 A C 1.871 179.463 177.584 0.014 0.000 1.188 376 A CA 2.333 54.350 52.037 -0.035 0.000 0.631 376 A CB -1.258 17.736 19.000 -0.010 0.000 0.822 376 A HN 1.023 nan 8.150 nan 0.000 0.447 377 D N -0.260 120.134 120.400 -0.010 0.000 2.144 377 D HA -0.219 4.421 4.640 -0.000 0.000 0.199 377 D C 1.711 178.038 176.300 0.045 0.000 0.984 377 D CA 1.502 55.552 54.000 0.083 0.000 0.834 377 D CB -0.772 40.106 40.800 0.131 0.000 0.955 377 D HN 0.691 nan 8.370 nan 0.000 0.465 378 E N 0.917 121.133 120.200 0.026 0.000 2.077 378 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 378 E C 2.143 178.730 176.600 -0.022 0.000 0.989 378 E CA 1.266 57.695 56.400 0.049 0.000 0.800 378 E CB -0.174 29.577 29.700 0.085 0.000 0.746 378 E HN 0.292 nan 8.360 nan 0.000 0.452 379 A N 0.235 123.038 122.820 -0.028 0.000 1.933 379 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 379 A C 2.401 179.945 177.584 -0.068 0.000 1.175 379 A CA 1.348 53.350 52.037 -0.058 0.000 0.628 379 A CB -0.624 18.356 19.000 -0.034 0.000 0.814 379 A HN 0.236 nan 8.150 nan 0.000 0.444 380 V N -0.814 119.079 119.914 -0.034 0.000 2.295 380 V HA -0.319 3.801 4.120 -0.000 0.000 0.246 380 V C 2.666 178.724 176.094 -0.059 0.000 1.049 380 V CA 2.155 64.434 62.300 -0.034 0.000 1.024 380 V CB -0.878 30.945 31.823 -0.000 0.000 0.648 380 V HN 0.732 nan 8.190 nan 0.000 0.447 381 C N -0.459 118.807 119.300 -0.057 0.000 2.446 381 C HA -0.124 4.336 4.460 -0.000 0.000 0.277 381 C C 3.282 178.158 174.990 -0.190 0.000 1.275 381 C CA 1.425 60.403 59.018 -0.067 0.000 1.727 381 C CB -0.979 26.778 27.740 0.028 0.000 2.010 381 C HN 0.705 nan 8.230 nan 0.000 0.486 382 S N 1.594 117.045 115.700 -0.415 0.000 2.356 382 S HA -0.174 4.296 4.470 -0.000 0.000 0.223 382 S C 2.084 176.624 174.600 -0.101 0.000 1.032 382 S CA 2.438 60.297 58.200 -0.568 0.000 1.005 382 S CB -0.665 62.065 63.200 -0.784 0.000 0.867 382 S HN 0.723 nan 8.310 nan 0.000 0.449 383 S N 1.674 117.327 115.700 -0.079 0.000 2.399 383 S HA 0.083 4.553 4.470 -0.000 0.000 0.231 383 S C 2.114 176.703 174.600 -0.018 0.000 1.022 383 S CA 1.202 59.401 58.200 -0.003 0.000 0.983 383 S CB -0.987 62.200 63.200 -0.021 0.000 0.803 383 S HN 0.828 nan 8.310 nan 0.000 0.480 384 A N 1.250 124.033 122.820 -0.061 0.000 1.933 384 A HA 0.079 4.399 4.320 -0.000 0.000 0.218 384 A C 2.407 179.935 177.584 -0.094 0.000 1.175 384 A CA 1.628 53.621 52.037 -0.073 0.000 0.628 384 A CB -1.084 17.870 19.000 -0.077 0.000 0.814 384 A HN 0.500 nan 8.150 nan 0.000 0.444 385 V N 1.231 121.066 119.914 -0.131 0.000 2.407 385 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 385 V C 2.474 178.431 176.094 -0.230 0.000 1.055 385 V CA 2.069 64.220 62.300 -0.248 0.000 1.049 385 V CB -0.991 30.610 31.823 -0.371 0.000 0.662 385 V HN 0.787 nan 8.190 nan 0.000 0.455 386 N N 0.013 118.671 118.700 -0.071 0.000 2.166 386 N HA -0.177 4.563 4.740 -0.000 0.000 0.186 386 N C 1.944 177.534 175.510 0.133 0.000 1.019 386 N CA 1.711 54.875 53.050 0.190 0.000 0.856 386 N CB 0.037 38.726 38.487 0.338 0.000 0.993 386 N HN 0.427 nan 8.380 nan 0.000 0.426 387 S N 0.050 115.767 115.700 0.029 0.000 2.382 387 S HA -0.062 4.408 4.470 -0.000 0.000 0.228 387 S C 2.062 176.637 174.600 -0.042 0.000 1.027 387 S CA 0.763 58.953 58.200 -0.017 0.000 0.991 387 S CB -0.105 63.058 63.200 -0.061 0.000 0.823 387 S HN 0.197 nan 8.310 nan 0.000 0.469 388 V N 0.386 120.246 119.914 -0.091 0.000 2.295 388 V HA -0.186 3.934 4.120 -0.000 0.000 0.246 388 V C 1.883 177.890 176.094 -0.145 0.000 1.049 388 V CA 1.670 63.874 62.300 -0.160 0.000 1.024 388 V CB -0.834 30.814 31.823 -0.291 0.000 0.648 388 V HN 0.490 nan 8.190 nan 0.000 0.447 389 Y N 0.600 120.889 120.300 -0.017 0.000 2.181 389 Y HA -0.184 4.366 4.550 -0.000 0.000 0.288 389 Y C 2.578 178.493 175.900 0.026 0.000 1.146 389 Y CA 1.697 59.818 58.100 0.035 0.000 1.164 389 Y CB -0.366 38.189 38.460 0.158 0.000 0.982 389 Y HN 0.301 nan 8.280 nan 0.000 0.515 390 E N -0.763 119.539 120.200 0.169 0.000 2.110 390 E HA -0.166 4.184 4.350 -0.000 0.000 0.193 390 E C 1.983 178.614 176.600 0.050 0.000 0.988 390 E CA 1.828 58.285 56.400 0.095 0.000 0.804 390 E CB -0.116 29.627 29.700 0.072 0.000 0.745 390 E HN 0.539 nan 8.360 nan 0.000 0.458 391 T N -2.283 112.284 114.554 0.023 0.000 3.081 391 T HA 0.140 4.490 4.350 -0.000 0.000 0.250 391 T C 0.561 175.346 174.700 0.142 0.000 1.100 391 T CA -0.098 62.030 62.100 0.047 0.000 1.038 391 T CB 0.042 68.847 68.868 -0.104 0.000 0.962 391 T HN -0.003 nan 8.240 nan 0.000 0.516 392 K N 0.950 121.398 120.400 0.080 0.000 3.096 392 K HA -0.108 4.212 4.320 -0.000 0.000 0.266 392 K C 0.177 176.818 176.600 0.069 0.000 1.043 392 K CA 0.038 56.360 56.287 0.060 0.000 0.758 392 K CB -2.040 30.501 32.500 0.068 0.000 1.260 392 K HN 0.727 nan 8.250 nan 0.000 0.481 393 A N 1.169 124.021 122.820 0.053 0.000 2.477 393 A HA 0.067 4.387 4.320 -0.000 0.000 0.246 393 A C 1.026 178.602 177.584 -0.013 0.000 1.078 393 A CA 0.129 52.205 52.037 0.064 0.000 0.770 393 A CB 0.324 19.345 19.000 0.035 0.000 1.011 393 A HN 0.334 nan 8.150 nan 0.000 0.494 394 K N 0.795 121.197 120.400 0.004 0.000 2.374 394 K HA 0.380 4.700 4.320 -0.000 0.000 0.196 394 K C 0.299 176.862 176.600 -0.062 0.000 1.023 394 K CA 0.938 57.209 56.287 -0.025 0.000 1.103 394 K CB 0.276 32.781 32.500 0.008 0.000 0.848 394 K HN 0.789 nan 8.250 nan 0.000 0.528 395 A N 0.880 123.671 122.820 -0.048 0.000 2.599 395 A HA 0.740 5.060 4.320 -0.000 0.000 0.290 395 A C -1.730 175.825 177.584 -0.049 0.000 1.101 395 A CA -0.707 51.293 52.037 -0.062 0.000 0.674 395 A CB 1.527 20.544 19.000 0.028 0.000 1.277 395 A HN 0.101 nan 8.150 nan 0.000 0.419 396 M N 0.751 120.321 119.600 -0.051 0.000 2.446 396 M HA 0.604 5.084 4.480 -0.000 0.000 0.294 396 M C -1.857 174.440 176.300 -0.005 0.000 1.158 396 M CA -0.589 54.687 55.300 -0.040 0.000 0.899 396 M CB 2.459 35.014 32.600 -0.074 0.000 1.687 396 M HN 0.514 nan 8.290 nan 0.000 0.455 397 V N 3.904 123.822 119.914 0.008 0.000 2.588 397 V HA 0.729 4.849 4.120 -0.000 0.000 0.304 397 V C -0.947 175.160 176.094 0.023 0.000 1.042 397 V CA -0.725 61.589 62.300 0.024 0.000 0.877 397 V CB 1.967 33.817 31.823 0.044 0.000 0.996 397 V HN 0.674 nan 8.190 nan 0.000 0.425 398 V N 4.024 123.949 119.914 0.019 0.000 2.823 398 V HA 0.616 4.736 4.120 -0.000 0.000 0.312 398 V C -0.875 175.234 176.094 0.024 0.000 1.072 398 V CA -0.987 61.330 62.300 0.028 0.000 0.937 398 V CB 1.980 33.815 31.823 0.021 0.000 1.013 398 V HN 0.545 nan 8.190 nan 0.000 0.430 399 L N 2.890 124.137 121.223 0.040 0.000 2.257 399 L HA 0.698 5.038 4.340 -0.000 0.000 0.290 399 L C 0.313 177.196 176.870 0.021 0.000 1.044 399 L CA 0.608 55.454 54.840 0.010 0.000 0.810 399 L CB 1.116 43.172 42.059 -0.005 0.000 1.193 399 L HN 0.875 nan 8.230 nan 0.000 0.425 400 S N 2.619 118.329 115.700 0.017 0.000 2.614 400 S HA 0.490 4.960 4.470 -0.000 0.000 0.288 400 S C 0.442 175.064 174.600 0.037 0.000 1.137 400 S CA -0.705 57.514 58.200 0.031 0.000 0.992 400 S CB 0.710 63.932 63.200 0.037 0.000 1.026 400 S HN 0.632 nan 8.310 nan 0.000 0.486 401 N N 2.244 120.968 118.700 0.041 0.000 2.349 401 N HA -0.050 4.690 4.740 -0.000 0.000 0.180 401 N C 1.906 177.448 175.510 0.054 0.000 1.024 401 N CA 1.578 54.661 53.050 0.054 0.000 0.869 401 N CB -0.718 37.799 38.487 0.049 0.000 1.022 401 N HN 0.787 nan 8.380 nan 0.000 0.433 402 T N -2.068 112.513 114.554 0.045 0.000 2.995 402 T HA 0.136 4.486 4.350 -0.000 0.000 0.269 402 T C 1.555 176.278 174.700 0.039 0.000 1.091 402 T CA 1.495 63.619 62.100 0.040 0.000 1.128 402 T CB -0.147 68.744 68.868 0.038 0.000 0.891 402 T HN 0.370 nan 8.240 nan 0.000 0.492 403 G N 1.160 109.985 108.800 0.041 0.000 2.195 403 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.246 403 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.246 403 G C 0.984 175.908 174.900 0.039 0.000 0.984 403 G CA 0.534 45.657 45.100 0.039 0.000 0.633 403 G HN 0.574 nan 8.290 nan 0.000 0.525 404 R N 0.728 121.253 120.500 0.042 0.000 2.080 404 R HA -0.035 4.305 4.340 -0.000 0.000 0.236 404 R C 2.826 179.158 176.300 0.053 0.000 1.137 404 R CA 2.188 58.315 56.100 0.046 0.000 0.943 404 R CB -0.424 29.905 30.300 0.048 0.000 0.846 404 R HN 0.418 nan 8.270 nan 0.000 0.431 405 S N 0.166 115.900 115.700 0.057 0.000 2.370 405 S HA -0.175 4.295 4.470 -0.000 0.000 0.226 405 S C 1.924 176.558 174.600 0.056 0.000 1.033 405 S CA 1.246 59.484 58.200 0.062 0.000 1.011 405 S CB -0.194 63.042 63.200 0.060 0.000 0.852 405 S HN 0.537 nan 8.310 nan 0.000 0.457 406 A N 1.765 124.612 122.820 0.045 0.000 1.902 406 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 406 A C 2.147 179.756 177.584 0.041 0.000 1.181 406 A CA 1.240 53.300 52.037 0.038 0.000 0.623 406 A CB -0.435 18.582 19.000 0.029 0.000 0.818 406 A HN 0.412 nan 8.150 nan 0.000 0.443 407 R N -1.310 119.214 120.500 0.041 0.000 2.096 407 R HA -0.084 4.256 4.340 -0.000 0.000 0.235 407 R C 2.045 178.374 176.300 0.049 0.000 1.127 407 R CA 1.308 57.429 56.100 0.036 0.000 0.968 407 R CB -0.503 29.815 30.300 0.030 0.000 0.861 407 R HN 0.450 nan 8.270 nan 0.000 0.440 408 L N 0.542 121.809 121.223 0.075 0.000 2.046 408 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 408 L C 2.097 179.089 176.870 0.203 0.000 1.077 408 L CA 1.522 56.438 54.840 0.126 0.000 0.747 408 L CB -0.249 41.883 42.059 0.123 0.000 0.896 408 L HN -0.069 nan 8.230 nan 0.000 0.432 409 V N -0.475 119.526 119.914 0.146 0.000 2.358 409 V HA -0.248 3.872 4.120 -0.000 0.000 0.246 409 V C 2.689 178.863 176.094 0.133 0.000 1.047 409 V CA 1.526 63.915 62.300 0.148 0.000 1.035 409 V CB -1.204 30.659 31.823 0.067 0.000 0.658 409 V HN 0.556 nan 8.190 nan 0.000 0.452 410 A N 0.151 123.012 122.820 0.068 0.000 2.019 410 A HA -0.247 4.073 4.320 -0.000 0.000 0.219 410 A C 2.307 179.888 177.584 -0.005 0.000 1.164 410 A CA 1.954 54.006 52.037 0.026 0.000 0.644 410 A CB -0.520 18.487 19.000 0.011 0.000 0.805 410 A HN 0.597 nan 8.150 nan 0.000 0.449 411 K N -1.491 118.901 120.400 -0.014 0.000 2.211 411 K HA -0.176 4.144 4.320 -0.000 0.000 0.204 411 K C 0.924 177.367 176.600 -0.263 0.000 1.047 411 K CA 1.579 57.775 56.287 -0.153 0.000 0.935 411 K CB -0.317 32.065 32.500 -0.197 0.000 0.728 411 K HN 0.527 nan 8.250 nan 0.000 0.452 412 Y N 1.141 121.483 120.300 0.070 0.000 2.461 412 Y HA 0.221 4.771 4.550 -0.000 0.000 0.277 412 Y C -0.187 175.798 175.900 0.142 0.000 1.182 412 Y CA -0.173 58.037 58.100 0.183 0.000 1.276 412 Y CB 0.420 39.031 38.460 0.253 0.000 1.087 412 Y HN -0.032 nan 8.280 nan 0.000 0.519 413 R N -0.418 120.132 120.500 0.082 0.000 3.146 413 R HA -0.155 4.185 4.340 -0.000 0.000 0.250 413 R C -2.981 173.399 176.300 0.135 0.000 0.912 413 R CA 0.186 56.306 56.100 0.035 0.000 0.633 413 R CB -2.067 28.160 30.300 -0.121 0.000 1.180 413 R HN 0.269 nan 8.270 nan 0.000 0.464 414 P HA 0.012 nan 4.420 nan 0.000 0.272 414 P C 0.419 177.673 177.300 -0.076 0.000 1.240 414 P CA -0.160 62.861 63.100 -0.132 0.000 0.791 414 P CB 0.439 32.028 31.700 -0.185 0.000 0.978 415 N N 0.055 118.594 118.700 -0.268 0.000 2.295 415 N HA 0.060 4.800 4.740 -0.000 0.000 0.221 415 N C -0.214 175.304 175.510 0.013 0.000 1.129 415 N CA -0.453 52.585 53.050 -0.021 0.000 0.836 415 N CB -1.142 37.401 38.487 0.094 0.000 1.040 415 N HN 0.446 nan 8.380 nan 0.000 0.494 416 C N -2.709 116.534 119.300 -0.094 0.000 3.171 416 C HA 0.751 5.211 4.460 -0.000 0.000 0.308 416 C C -3.017 171.660 174.990 -0.522 0.000 1.334 416 C CA -1.958 56.903 59.018 -0.261 0.000 1.473 416 C CB 1.472 29.071 27.740 -0.234 0.000 1.866 416 C HN 0.006 nan 8.230 nan 0.000 0.465 417 P HA 0.413 nan 4.420 nan 0.000 0.269 417 P C -0.836 176.235 177.300 -0.381 0.000 1.209 417 P CA 0.297 62.839 63.100 -0.931 0.000 0.776 417 P CB 0.301 31.246 31.700 -1.258 0.000 0.876 418 I N 1.931 122.375 120.570 -0.211 0.000 2.378 418 I HA 0.261 4.431 4.170 -0.000 0.000 0.291 418 I C -0.491 175.611 176.117 -0.026 0.000 0.992 418 I CA -0.782 60.464 61.300 -0.090 0.000 1.154 418 I CB 1.742 39.712 38.000 -0.051 0.000 1.315 418 I HN -0.055 nan 8.210 nan 0.000 0.448 419 V N 5.817 125.734 119.914 0.006 0.000 2.378 419 V HA 0.244 4.364 4.120 -0.000 0.000 0.288 419 V C -0.314 175.771 176.094 -0.016 0.000 1.016 419 V CA -0.639 61.674 62.300 0.021 0.000 0.840 419 V CB 1.517 33.408 31.823 0.114 0.000 0.994 419 V HN 0.864 nan 8.190 nan 0.000 0.431 420 C N 6.628 125.901 119.300 -0.045 0.000 2.330 420 C HA 0.762 5.222 4.460 -0.000 0.000 0.344 420 C C 0.016 174.975 174.990 -0.051 0.000 1.273 420 C CA -0.169 58.830 59.018 -0.031 0.000 1.879 420 C CB 0.431 28.163 27.740 -0.013 0.000 2.376 420 C HN 0.701 nan 8.230 nan 0.000 0.534 421 V N 6.368 126.261 119.914 -0.034 0.000 2.357 421 V HA 0.558 4.678 4.120 -0.000 0.000 0.284 421 V C 0.416 176.504 176.094 -0.010 0.000 1.018 421 V CA 0.022 62.299 62.300 -0.038 0.000 0.841 421 V CB 1.524 33.303 31.823 -0.073 0.000 0.991 421 V HN 1.001 nan 8.190 nan 0.000 0.437 422 T N 2.136 116.717 114.554 0.045 0.000 2.893 422 T HA 0.400 4.750 4.350 -0.000 0.000 0.291 422 T C 0.837 175.632 174.700 0.158 0.000 1.028 422 T CA 0.233 62.390 62.100 0.095 0.000 0.995 422 T CB 1.737 70.674 68.868 0.115 0.000 1.051 422 T HN 0.845 nan 8.240 nan 0.000 0.470 423 T N 1.313 115.965 114.554 0.162 0.000 3.122 423 T HA 0.395 4.745 4.350 -0.000 0.000 0.250 423 T C 0.504 175.441 174.700 0.395 0.000 1.067 423 T CA -0.229 61.995 62.100 0.206 0.000 0.966 423 T CB -0.023 68.946 68.868 0.169 0.000 1.002 423 T HN 0.329 nan 8.240 nan 0.000 0.542 424 R N 0.221 120.929 120.500 0.347 0.000 2.480 424 R HA 0.610 4.950 4.340 -0.000 0.000 0.306 424 R C 0.826 177.200 176.300 0.124 0.000 0.958 424 R CA -0.629 55.611 56.100 0.234 0.000 0.861 424 R CB 1.214 31.585 30.300 0.118 0.000 1.171 424 R HN 0.056 nan 8.270 nan 0.000 0.445 425 L N 1.645 122.794 121.223 -0.123 0.000 2.083 425 L HA -0.218 4.122 4.340 -0.000 0.000 0.209 425 L C 2.198 179.001 176.870 -0.112 0.000 1.083 425 L CA 1.499 56.174 54.840 -0.275 0.000 0.752 425 L CB -0.054 41.721 42.059 -0.473 0.000 0.899 425 L HN 0.719 nan 8.230 nan 0.000 0.433 426 Q N -0.657 119.101 119.800 -0.069 0.000 2.170 426 Q HA -0.202 4.138 4.340 -0.000 0.000 0.203 426 Q C 1.965 177.958 176.000 -0.012 0.000 0.976 426 Q CA 2.036 57.815 55.803 -0.041 0.000 0.858 426 Q CB 0.060 28.780 28.738 -0.031 0.000 0.907 426 Q HN 0.374 nan 8.270 nan 0.000 0.433 427 T N -0.306 114.256 114.554 0.012 0.000 2.788 427 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 427 T C 1.840 176.556 174.700 0.027 0.000 1.044 427 T CA 1.298 63.416 62.100 0.030 0.000 1.139 427 T CB -0.388 68.513 68.868 0.055 0.000 0.867 427 T HN 0.455 nan 8.240 nan 0.000 0.454 428 C N 1.397 120.712 119.300 0.024 0.000 2.429 428 C HA -0.018 4.442 4.460 -0.000 0.000 0.277 428 C C 2.822 177.816 174.990 0.007 0.000 1.262 428 C CA 0.373 59.402 59.018 0.018 0.000 1.733 428 C CB -1.004 26.744 27.740 0.013 0.000 2.010 428 C HN 0.557 nan 8.230 nan 0.000 0.483 429 R N 0.543 121.038 120.500 -0.008 0.000 2.075 429 R HA -0.132 4.208 4.340 -0.000 0.000 0.232 429 R C 2.298 178.603 176.300 0.009 0.000 1.126 429 R CA 1.205 57.302 56.100 -0.005 0.000 0.963 429 R CB -0.424 29.862 30.300 -0.023 0.000 0.858 429 R HN 0.657 nan 8.270 nan 0.000 0.435 430 Q N 0.613 120.419 119.800 0.009 0.000 2.170 430 Q HA -0.069 4.271 4.340 -0.000 0.000 0.203 430 Q C 1.966 177.986 176.000 0.032 0.000 0.976 430 Q CA 0.961 56.776 55.803 0.020 0.000 0.858 430 Q CB 0.011 28.759 28.738 0.016 0.000 0.907 430 Q HN 0.371 nan 8.270 nan 0.000 0.433 431 L N 0.771 122.012 121.223 0.030 0.000 2.622 431 L HA -0.073 4.267 4.340 -0.000 0.000 0.233 431 L C 1.090 177.983 176.870 0.039 0.000 1.156 431 L CA 0.013 54.873 54.840 0.033 0.000 0.866 431 L CB -0.196 41.880 42.059 0.028 0.000 0.980 431 L HN 0.186 nan 8.230 nan 0.000 0.448 432 N N 0.675 119.400 118.700 0.042 0.000 2.512 432 N HA -0.082 4.658 4.740 -0.000 0.000 0.183 432 N C 1.554 177.100 175.510 0.060 0.000 1.073 432 N CA 0.795 53.875 53.050 0.050 0.000 0.911 432 N CB 0.007 38.523 38.487 0.047 0.000 0.964 432 N HN 0.531 nan 8.380 nan 0.000 0.447 433 I N -4.031 116.576 120.570 0.062 0.000 3.956 433 I HA 0.242 4.412 4.170 -0.000 0.000 0.333 433 I C -0.322 175.822 176.117 0.045 0.000 1.302 433 I CA 0.054 61.393 61.300 0.065 0.000 1.122 433 I CB 0.083 38.137 38.000 0.090 0.000 1.013 433 I HN -0.279 nan 8.210 nan 0.000 0.405 434 T N 3.083 117.661 114.554 0.039 0.000 2.767 434 T HA 0.334 4.684 4.350 -0.000 0.000 0.284 434 T C -0.125 174.592 174.700 0.028 0.000 0.973 434 T CA -0.421 61.695 62.100 0.028 0.000 0.996 434 T CB 1.303 70.186 68.868 0.026 0.000 0.927 434 T HN 0.401 nan 8.240 nan 0.000 0.456 435 Q N 1.857 121.667 119.800 0.016 0.000 2.392 435 Q HA 0.459 4.799 4.340 -0.000 0.000 0.262 435 Q C 1.087 177.109 176.000 0.037 0.000 1.003 435 Q CA 0.421 56.237 55.803 0.022 0.000 0.888 435 Q CB -0.135 28.602 28.738 -0.001 0.000 1.260 435 Q HN 0.842 nan 8.270 nan 0.000 0.435 436 G N 0.353 109.198 108.800 0.075 0.000 2.153 436 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.252 436 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.252 436 G C -0.369 174.571 174.900 0.067 0.000 0.994 436 G CA 0.102 45.274 45.100 0.119 0.000 0.698 436 G HN 0.693 nan 8.290 nan 0.000 0.521 437 V N -0.145 119.804 119.914 0.059 0.000 2.656 437 V HA 0.655 4.775 4.120 -0.000 0.000 0.307 437 V C -0.059 176.068 176.094 0.054 0.000 1.051 437 V CA -0.781 61.541 62.300 0.037 0.000 0.893 437 V CB 2.005 33.844 31.823 0.026 0.000 0.999 437 V HN 0.358 nan 8.190 nan 0.000 0.426 438 E N 1.764 121.991 120.200 0.045 0.000 2.222 438 E HA 0.615 4.965 4.350 -0.000 0.000 0.267 438 E C -1.157 175.390 176.600 -0.088 0.000 0.884 438 E CA -0.482 55.941 56.400 0.039 0.000 0.764 438 E CB 2.257 32.066 29.700 0.181 0.000 1.169 438 E HN 0.646 nan 8.360 nan 0.000 0.413 439 S N 1.258 116.888 115.700 -0.117 0.000 2.509 439 S HA 0.467 4.937 4.470 -0.000 0.000 0.297 439 S C -0.625 173.825 174.600 -0.251 0.000 1.118 439 S CA -0.747 57.372 58.200 -0.135 0.000 1.074 439 S CB 1.453 64.635 63.200 -0.029 0.000 1.038 439 S HN 0.229 nan 8.310 nan 0.000 0.498 440 V N 3.817 123.601 119.914 -0.217 0.000 2.409 440 V HA 0.406 4.526 4.120 -0.000 0.000 0.291 440 V C -0.622 175.506 176.094 0.057 0.000 1.020 440 V CA -0.784 61.422 62.300 -0.157 0.000 0.848 440 V CB 0.967 32.654 31.823 -0.225 0.000 0.990 440 V HN 0.840 nan 8.190 nan 0.000 0.430 441 F N 6.069 126.010 119.950 -0.014 0.000 2.427 441 F HA 0.591 5.118 4.527 -0.000 0.000 0.352 441 F C -0.723 175.144 175.800 0.111 0.000 1.100 441 F CA -1.060 56.964 58.000 0.040 0.000 1.191 441 F CB 0.765 39.774 39.000 0.015 0.000 1.128 441 F HN 0.429 nan 8.300 nan 0.000 0.533 442 F N 6.458 125.908 119.950 -0.833 0.000 2.460 442 F HA 0.278 4.805 4.527 -0.000 0.000 0.341 442 F C -0.630 174.565 175.800 -1.008 0.000 1.130 442 F CA -0.885 56.700 58.000 -0.693 0.000 0.962 442 F CB 0.543 39.356 39.000 -0.311 0.000 1.171 442 F HN 0.404 nan 8.300 nan 0.000 0.436 443 D N 5.083 124.770 120.400 -1.189 0.000 2.374 443 D HA 0.282 4.922 4.640 -0.000 0.000 0.240 443 D C 0.918 176.922 176.300 -0.494 0.000 1.229 443 D CA 0.375 53.941 54.000 -0.724 0.000 0.895 443 D CB 1.618 42.190 40.800 -0.380 0.000 1.046 443 D HN 0.718 nan 8.370 nan 0.000 0.498 444 A N 4.056 126.770 122.820 -0.177 0.000 1.933 444 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 444 A C 1.700 179.210 177.584 -0.122 0.000 1.175 444 A CA 1.314 53.340 52.037 -0.019 0.000 0.628 444 A CB -0.098 19.008 19.000 0.177 0.000 0.814 444 A HN 0.489 nan 8.150 nan 0.000 0.444 445 D N -0.477 119.867 120.400 -0.093 0.000 2.084 445 D HA -0.122 4.518 4.640 -0.000 0.000 0.194 445 D C 1.955 178.173 176.300 -0.137 0.000 0.990 445 D CA 1.691 55.632 54.000 -0.099 0.000 0.826 445 D CB -0.208 40.571 40.800 -0.035 0.000 0.971 445 D HN 0.385 nan 8.370 nan 0.000 0.453 446 K N 0.163 120.471 120.400 -0.154 0.000 2.026 446 K HA 0.032 4.352 4.320 -0.000 0.000 0.208 446 K C 1.606 178.074 176.600 -0.221 0.000 1.048 446 K CA 0.978 57.163 56.287 -0.170 0.000 0.929 446 K CB -0.105 32.291 32.500 -0.174 0.000 0.713 446 K HN 0.129 nan 8.250 nan 0.000 0.439 447 L N -0.559 120.470 121.223 -0.324 0.000 2.640 447 L HA 0.345 4.685 4.340 -0.000 0.000 0.230 447 L C 0.547 177.309 176.870 -0.181 0.000 1.123 447 L CA -0.189 54.446 54.840 -0.342 0.000 0.900 447 L CB 0.177 41.843 42.059 -0.655 0.000 1.146 447 L HN 0.394 nan 8.230 nan 0.000 0.484 448 G N -0.450 108.258 108.800 -0.152 0.000 2.746 448 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.685 448 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.685 448 G C 0.044 174.980 174.900 0.060 0.000 1.350 448 G CA -0.520 44.515 45.100 -0.107 0.000 0.837 448 G HN 0.157 nan 8.290 nan 0.000 0.564 449 H N 0.505 119.634 119.070 0.099 0.000 2.524 449 H HA 0.039 4.595 4.556 -0.000 0.000 0.282 449 H C 1.704 177.085 175.328 0.088 0.000 1.016 449 H CA 1.571 57.675 56.048 0.093 0.000 1.270 449 H CB -0.051 29.741 29.762 0.049 0.000 1.394 449 H HN 0.847 nan 8.280 nan 0.000 0.568 450 D N 1.161 121.700 120.400 0.231 0.000 2.689 450 D HA -0.164 4.476 4.640 -0.000 0.000 0.237 450 D C 1.211 177.529 176.300 0.030 0.000 1.148 450 D CA 0.750 54.837 54.000 0.145 0.000 0.656 450 D CB -0.622 40.215 40.800 0.062 0.000 1.050 450 D HN 0.607 nan 8.370 nan 0.000 0.426 451 E N -0.997 119.231 120.200 0.046 0.000 2.204 451 E HA -0.116 4.234 4.350 -0.000 0.000 0.195 451 E C 2.105 178.702 176.600 -0.005 0.000 0.990 451 E CA 1.239 57.644 56.400 0.009 0.000 0.821 451 E CB -0.348 29.359 29.700 0.011 0.000 0.750 451 E HN 0.514 nan 8.360 nan 0.000 0.477 452 G N 0.866 109.645 108.800 -0.035 0.000 2.880 452 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.209 452 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.209 452 G C 0.641 175.521 174.900 -0.035 0.000 1.157 452 G CA 0.248 45.352 45.100 0.006 0.000 0.779 452 G HN 0.196 nan 8.290 nan 0.000 0.539 453 K N -0.944 119.361 120.400 -0.158 0.000 3.548 453 K HA -0.223 4.097 4.320 -0.000 0.000 0.296 453 K C 1.634 178.042 176.600 -0.320 0.000 1.324 453 K CA 1.347 57.448 56.287 -0.311 0.000 0.976 453 K CB -1.253 30.918 32.500 -0.549 0.000 1.294 453 K HN 0.612 nan 8.250 nan 0.000 0.464 454 E N -0.044 119.991 120.200 -0.276 0.000 2.110 454 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 454 E C 1.460 177.904 176.600 -0.260 0.000 0.988 454 E CA 1.619 57.857 56.400 -0.271 0.000 0.804 454 E CB -0.291 29.229 29.700 -0.299 0.000 0.745 454 E HN 0.607 nan 8.360 nan 0.000 0.458 455 H N 0.734 119.739 119.070 -0.108 0.000 2.326 455 H HA 0.074 4.630 4.556 -0.000 0.000 0.301 455 H C 2.275 177.476 175.328 -0.211 0.000 1.081 455 H CA 1.263 57.265 56.048 -0.077 0.000 1.334 455 H CB 0.047 29.841 29.762 0.054 0.000 1.385 455 H HN -0.010 nan 8.280 nan 0.000 0.504 456 R N 0.257 120.522 120.500 -0.392 0.000 2.081 456 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 456 R C 2.313 178.491 176.300 -0.203 0.000 1.131 456 R CA 1.272 57.066 56.100 -0.509 0.000 0.960 456 R CB -0.299 29.637 30.300 -0.608 0.000 0.856 456 R HN 0.151 nan 8.270 nan 0.000 0.436 457 V N 0.894 120.706 119.914 -0.171 0.000 2.343 457 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 457 V C 2.409 178.495 176.094 -0.013 0.000 1.051 457 V CA 1.968 64.223 62.300 -0.075 0.000 1.036 457 V CB -0.658 31.122 31.823 -0.070 0.000 0.654 457 V HN 0.420 nan 8.190 nan 0.000 0.451 458 A N -0.074 122.745 122.820 -0.000 0.000 1.933 458 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 458 A C 2.423 180.052 177.584 0.074 0.000 1.175 458 A CA 2.028 54.092 52.037 0.046 0.000 0.628 458 A CB -0.718 18.324 19.000 0.071 0.000 0.814 458 A HN 0.564 nan 8.150 nan 0.000 0.444 459 A N -0.464 122.408 122.820 0.086 0.000 1.902 459 A HA 0.136 4.456 4.320 -0.000 0.000 0.217 459 A C 2.415 180.071 177.584 0.121 0.000 1.181 459 A CA 1.903 54.011 52.037 0.118 0.000 0.623 459 A CB -1.374 17.721 19.000 0.158 0.000 0.818 459 A HN 0.712 nan 8.150 nan 0.000 0.443 460 G N -0.685 108.160 108.800 0.075 0.000 2.418 460 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.217 460 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.217 460 G C 1.518 176.509 174.900 0.153 0.000 1.158 460 G CA 1.177 46.334 45.100 0.095 0.000 0.771 460 G HN 0.302 nan 8.290 nan 0.000 0.545 461 V N 0.797 120.775 119.914 0.106 0.000 2.343 461 V HA -0.147 3.973 4.120 -0.000 0.000 0.247 461 V C 2.719 178.873 176.094 0.100 0.000 1.051 461 V CA 2.330 64.688 62.300 0.097 0.000 1.036 461 V CB -0.141 31.721 31.823 0.065 0.000 0.654 461 V HN 0.484 nan 8.190 nan 0.000 0.451 462 E N 0.197 120.459 120.200 0.104 0.000 2.077 462 E HA -0.259 4.091 4.350 -0.000 0.000 0.193 462 E C 1.916 178.570 176.600 0.090 0.000 0.989 462 E CA 1.687 58.137 56.400 0.083 0.000 0.800 462 E CB -0.535 29.216 29.700 0.086 0.000 0.746 462 E HN 0.559 nan 8.360 nan 0.000 0.452 463 F N 0.529 120.486 119.950 0.012 0.000 2.134 463 F HA -0.115 4.412 4.527 0.000 0.000 0.299 463 F C 2.035 177.816 175.800 -0.032 0.000 1.097 463 F CA 1.755 59.755 58.000 0.001 0.000 1.264 463 F CB -0.524 38.495 39.000 0.032 0.000 1.001 463 F HN 0.121 nan 8.300 nan 0.000 0.479 464 A N 0.252 123.147 122.820 0.125 0.000 1.933 464 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 464 A C 2.282 179.783 177.584 -0.139 0.000 1.175 464 A CA 1.693 53.749 52.037 0.032 0.000 0.628 464 A CB -0.665 18.441 19.000 0.176 0.000 0.814 464 A HN 0.443 nan 8.150 nan 0.000 0.444 465 K N 0.014 120.361 120.400 -0.088 0.000 2.057 465 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 465 K C 2.529 179.018 176.600 -0.185 0.000 1.049 465 K CA 1.573 57.798 56.287 -0.103 0.000 0.931 465 K CB -0.216 32.255 32.500 -0.048 0.000 0.714 465 K HN 0.638 nan 8.250 nan 0.000 0.440 466 S N 1.143 116.705 115.700 -0.231 0.000 2.382 466 S HA -0.106 4.364 4.470 -0.000 0.000 0.228 466 S C 1.654 176.021 174.600 -0.389 0.000 1.027 466 S CA 1.075 59.114 58.200 -0.269 0.000 0.991 466 S CB -0.022 63.040 63.200 -0.229 0.000 0.823 466 S HN 0.130 nan 8.310 nan 0.000 0.469 467 K N 0.564 120.584 120.400 -0.634 0.000 2.444 467 K HA 0.207 4.527 4.320 -0.000 0.000 0.193 467 K C 1.400 177.601 176.600 -0.666 0.000 1.024 467 K CA 0.637 56.474 56.287 -0.749 0.000 1.077 467 K CB -0.131 31.668 32.500 -1.167 0.000 0.833 467 K HN 0.648 nan 8.250 nan 0.000 0.517 468 G N 1.278 109.800 108.800 -0.464 0.000 2.159 468 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.256 468 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.256 468 G C 0.584 175.421 174.900 -0.105 0.000 0.977 468 G CA 0.255 45.212 45.100 -0.238 0.000 0.652 468 G HN 0.205 nan 8.290 nan 0.000 0.531 469 Y N -0.020 120.240 120.300 -0.067 0.000 2.224 469 Y HA 0.231 4.781 4.550 -0.000 0.000 0.289 469 Y C 1.958 177.832 175.900 -0.043 0.000 1.146 469 Y CA 0.882 58.950 58.100 -0.054 0.000 1.182 469 Y CB -0.680 37.733 38.460 -0.078 0.000 0.983 469 Y HN 0.769 nan 8.280 nan 0.000 0.524 470 V N -1.476 118.485 119.914 0.078 0.000 2.914 470 V HA 0.695 4.815 4.120 -0.000 0.000 0.314 470 V C -0.899 175.191 176.094 -0.006 0.000 1.084 470 V CA -1.228 61.092 62.300 0.033 0.000 0.963 470 V CB 2.069 33.914 31.823 0.036 0.000 1.025 470 V HN 0.156 nan 8.190 nan 0.000 0.432 471 Q N 0.769 120.560 119.800 -0.015 0.000 2.587 471 Q HA 0.644 4.984 4.340 -0.000 0.000 0.293 471 Q C -0.538 175.442 176.000 -0.033 0.000 1.083 471 Q CA -0.894 54.894 55.803 -0.025 0.000 0.792 471 Q CB 1.455 30.178 28.738 -0.026 0.000 1.484 471 Q HN 0.880 nan 8.270 nan 0.000 0.446 472 T N -1.224 113.311 114.554 -0.033 0.000 2.940 472 T HA 0.388 4.738 4.350 -0.000 0.000 0.309 472 T C 1.121 175.785 174.700 -0.059 0.000 1.056 472 T CA 0.302 62.380 62.100 -0.036 0.000 1.137 472 T CB 0.509 69.361 68.868 -0.027 0.000 0.976 472 T HN 1.085 nan 8.240 nan 0.000 0.547 473 G N 1.746 110.499 108.800 -0.078 0.000 2.195 473 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.246 473 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.246 473 G C -0.162 174.595 174.900 -0.239 0.000 0.984 473 G CA -0.052 44.968 45.100 -0.132 0.000 0.633 473 G HN 0.792 nan 8.290 nan 0.000 0.525 474 D N -0.093 120.199 120.400 -0.181 0.000 2.344 474 D HA 0.521 5.161 4.640 -0.000 0.000 0.244 474 D C 0.157 176.349 176.300 -0.180 0.000 1.134 474 D CA 0.052 53.928 54.000 -0.207 0.000 0.930 474 D CB 0.376 41.129 40.800 -0.078 0.000 1.175 474 D HN 0.134 nan 8.370 nan 0.000 0.437 475 Y N 0.081 120.377 120.300 -0.008 0.000 2.308 475 Y HA 0.296 4.846 4.550 0.000 0.000 0.329 475 Y C 0.450 176.340 175.900 -0.018 0.000 1.111 475 Y CA -0.994 57.098 58.100 -0.013 0.000 1.179 475 Y CB 1.270 39.718 38.460 -0.019 0.000 1.201 475 Y HN 0.203 nan 8.280 nan 0.000 0.483 476 C N 4.248 123.648 119.300 0.166 0.000 2.396 476 C HA 0.801 5.261 4.460 -0.000 0.000 0.321 476 C C -0.824 174.191 174.990 0.042 0.000 1.233 476 C CA -0.661 58.404 59.018 0.079 0.000 1.440 476 C CB -0.311 27.468 27.740 0.065 0.000 2.110 476 C HN 0.619 nan 8.230 nan 0.000 0.473 477 V N 6.900 126.814 119.914 0.001 0.000 2.407 477 V HA 0.531 4.651 4.120 -0.000 0.000 0.278 477 V C -0.040 176.034 176.094 -0.034 0.000 1.037 477 V CA -0.188 62.091 62.300 -0.036 0.000 0.900 477 V CB 1.497 33.281 31.823 -0.066 0.000 0.983 477 V HN 0.742 nan 8.190 nan 0.000 0.459 478 V N 6.654 126.540 119.914 -0.046 0.000 2.604 478 V HA 0.575 4.695 4.120 -0.000 0.000 0.305 478 V C -0.375 175.646 176.094 -0.122 0.000 1.043 478 V CA -0.492 61.786 62.300 -0.037 0.000 0.888 478 V CB 2.033 33.864 31.823 0.014 0.000 0.995 478 V HN 0.690 nan 8.190 nan 0.000 0.429 479 I N 5.491 126.007 120.570 -0.089 0.000 2.447 479 I HA 0.712 4.882 4.170 -0.000 0.000 0.287 479 I C -0.457 175.611 176.117 -0.082 0.000 1.023 479 I CA -0.247 60.964 61.300 -0.148 0.000 1.083 479 I CB 1.654 39.619 38.000 -0.059 0.000 1.245 479 I HN 1.031 nan 8.210 nan 0.000 0.434 480 H N 3.877 122.915 119.070 -0.053 0.000 2.888 480 H HA 0.792 5.348 4.556 -0.000 0.000 0.267 480 H C -0.970 174.303 175.328 -0.091 0.000 1.482 480 H CA -1.009 55.000 56.048 -0.066 0.000 1.165 480 H CB 0.466 30.183 29.762 -0.075 0.000 1.866 480 H HN 0.542 nan 8.280 nan 0.000 0.599 481 A N 0.391 123.274 122.820 0.105 0.000 2.313 481 A HA 0.420 4.740 4.320 -0.000 0.000 0.261 481 A C -0.125 177.492 177.584 0.056 0.000 1.090 481 A CA 0.160 52.187 52.037 -0.017 0.000 0.807 481 A CB -0.296 18.642 19.000 -0.103 0.000 1.055 481 A HN 0.810 nan 8.150 nan 0.000 0.492 482 D N -1.046 119.307 120.400 -0.078 0.000 2.440 482 D HA 0.126 4.766 4.640 -0.000 0.000 0.269 482 D C 0.792 177.029 176.300 -0.105 0.000 1.249 482 D CA -0.070 53.834 54.000 -0.160 0.000 1.055 482 D CB -0.092 40.611 40.800 -0.162 0.000 1.104 482 D HN 0.466 nan 8.370 nan 0.000 0.561 483 H N -0.961 118.099 119.070 -0.017 0.000 2.357 483 H HA -0.027 4.529 4.556 -0.000 0.000 0.301 483 H C 1.767 177.074 175.328 -0.036 0.000 1.082 483 H CA 1.348 57.380 56.048 -0.027 0.000 1.342 483 H CB -0.080 29.669 29.762 -0.022 0.000 1.389 483 H HN 0.473 nan 8.280 nan 0.000 0.511 484 K N 0.833 121.277 120.400 0.074 0.000 2.031 484 K HA -0.005 4.315 4.320 -0.000 0.000 0.205 484 K C 0.428 177.014 176.600 -0.025 0.000 1.049 484 K CA 0.279 56.578 56.287 0.021 0.000 0.939 484 K CB 0.177 32.685 32.500 0.014 0.000 0.717 484 K HN -0.072 nan 8.250 nan 0.000 0.438 485 V N 3.224 123.093 119.914 -0.075 0.000 2.637 485 V HA 0.031 4.151 4.120 -0.000 0.000 0.296 485 V C 0.023 176.012 176.094 -0.174 0.000 1.046 485 V CA 0.215 62.420 62.300 -0.158 0.000 1.066 485 V CB 1.115 32.755 31.823 -0.304 0.000 0.968 485 V HN 0.206 nan 8.190 nan 0.000 0.483 486 K N 2.704 123.015 120.400 -0.149 0.000 2.371 486 K HA 0.630 4.950 4.320 -0.000 0.000 0.251 486 K C 0.770 177.344 176.600 -0.044 0.000 0.934 486 K CA 0.035 56.268 56.287 -0.090 0.000 0.798 486 K CB 1.732 34.211 32.500 -0.034 0.000 1.204 486 K HN 0.903 nan 8.250 nan 0.000 0.427 487 G N 1.568 110.363 108.800 -0.009 0.000 2.213 487 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.236 487 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.236 487 G C -0.347 174.674 174.900 0.201 0.000 0.991 487 G CA 0.815 45.971 45.100 0.094 0.000 0.629 487 G HN 0.669 nan 8.290 nan 0.000 0.517 488 Y N -2.660 117.647 120.300 0.013 0.000 2.725 488 Y HA 0.778 5.328 4.550 -0.000 0.000 0.333 488 Y C -0.330 175.579 175.900 0.014 0.000 1.242 488 Y CA -1.271 56.837 58.100 0.014 0.000 1.059 488 Y CB 0.675 39.142 38.460 0.012 0.000 1.306 488 Y HN 0.984 nan 8.280 nan 0.000 0.454 489 A N 1.280 124.165 122.820 0.108 0.000 2.260 489 A HA 0.395 4.715 4.320 -0.000 0.000 0.314 489 A C -0.213 177.404 177.584 0.055 0.000 1.257 489 A CA -0.348 51.688 52.037 -0.001 0.000 0.871 489 A CB -0.496 18.523 19.000 0.032 0.000 1.166 489 A HN 0.960 nan 8.150 nan 0.000 0.522 490 N N 1.633 120.282 118.700 -0.085 0.000 2.203 490 N HA 0.102 4.842 4.740 -0.000 0.000 0.207 490 N C 0.090 175.570 175.510 -0.049 0.000 1.130 490 N CA -0.214 52.838 53.050 0.004 0.000 0.861 490 N CB 0.401 38.874 38.487 -0.025 0.000 1.005 490 N HN 0.669 nan 8.380 nan 0.000 0.507 491 Q N 0.456 120.189 119.800 -0.111 0.000 2.372 491 Q HA 0.327 4.667 4.340 -0.000 0.000 0.273 491 Q C -1.707 174.164 176.000 -0.215 0.000 1.078 491 Q CA -0.708 54.992 55.803 -0.170 0.000 0.806 491 Q CB 2.471 31.071 28.738 -0.229 0.000 1.332 491 Q HN 0.102 nan 8.270 nan 0.000 0.435 492 T N 2.335 116.782 114.554 -0.178 0.000 2.876 492 T HA 0.714 5.064 4.350 -0.000 0.000 0.289 492 T C -1.465 173.139 174.700 -0.160 0.000 1.014 492 T CA -0.477 61.519 62.100 -0.173 0.000 0.986 492 T CB 0.897 69.696 68.868 -0.115 0.000 1.021 492 T HN 0.621 nan 8.240 nan 0.000 0.458 493 R N 3.153 123.561 120.500 -0.154 0.000 2.628 493 R HA 0.602 4.942 4.340 -0.000 0.000 0.288 493 R C -0.889 175.361 176.300 -0.083 0.000 0.980 493 R CA -0.697 55.337 56.100 -0.108 0.000 0.891 493 R CB 1.950 32.195 30.300 -0.093 0.000 1.188 493 R HN 0.520 nan 8.270 nan 0.000 0.450 494 I N 4.947 125.466 120.570 -0.085 0.000 2.307 494 I HA 0.250 4.420 4.170 -0.000 0.000 0.289 494 I C -0.656 175.445 176.117 -0.027 0.000 1.021 494 I CA -0.717 60.529 61.300 -0.090 0.000 1.224 494 I CB 0.597 38.477 38.000 -0.201 0.000 1.376 494 I HN 0.343 nan 8.210 nan 0.000 0.470 495 L N 5.763 127.008 121.223 0.036 0.000 2.334 495 L HA 0.647 4.987 4.340 -0.000 0.000 0.276 495 L C -0.557 176.406 176.870 0.155 0.000 1.014 495 L CA -0.899 53.989 54.840 0.079 0.000 0.815 495 L CB 0.941 43.031 42.059 0.052 0.000 1.268 495 L HN 0.301 nan 8.230 nan 0.000 0.428 496 L N 3.174 124.486 121.223 0.150 0.000 2.349 496 L HA 0.587 4.927 4.340 -0.000 0.000 0.275 496 L C -0.056 176.846 176.870 0.053 0.000 1.115 496 L CA -0.056 54.857 54.840 0.121 0.000 0.820 496 L CB 1.564 43.680 42.059 0.096 0.000 1.135 496 L HN 0.640 nan 8.230 nan 0.000 0.445 497 V N 2.784 122.708 119.914 0.018 0.000 2.439 497 V HA 0.700 4.820 4.120 -0.000 0.000 0.282 497 V C -0.277 175.815 176.094 -0.003 0.000 1.039 497 V CA -0.353 61.954 62.300 0.012 0.000 0.913 497 V CB 1.252 33.083 31.823 0.013 0.000 0.983 497 V HN 0.934 nan 8.190 nan 0.000 0.460 498 E N 0.000 120.202 120.200 0.004 0.000 2.725 498 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 498 E CA 0.000 56.399 56.400 -0.001 0.000 0.976 498 E CB 0.000 29.702 29.700 0.004 0.000 0.812 498 E HN 0.000 nan 8.360 nan 0.000 0.440