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 2w70_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLDKIVIANR GEIALRILRA CKELGIKTVA VHSSADRDLK HVLLADETVC DATA SEQUENCE IGPAPSVKSY LNIPAIISAA EITGAVAIHP GYGFLSENAN FAEQVERSGF DATA SEQUENCE IFIGPKAETI RLMGDKVSAI AAMKKAGVPC VPGSDGPLGD DMDKNRAIAK DATA SEQUENCE RIGYPVIIKA SGGGGGRGMR VVRGDAELAQ SISMTRAEAK AAFSNDMVYM DATA SEQUENCE EKYLENPRHV EIQVLADGQG NAIYLAERDC SMQRRHQKVV EEAPAPGITP DATA SEQUENCE ELRRYIGERC AKACVDIGYR GAGTFEFLFE NGEFYFIEMN TRIQVEHPVT DATA SEQUENCE EMITGVDLIK EQLRIAAGQP LSIKQEEVHV RGHAVECRIN AEDPNTFLPS DATA SEQUENCE PGKITRFHAP GGFGVRWESH IYAGYTVPPY YDSMIGKLIC YGENRDVAIA DATA SEQUENCE RMKNALQELI IDGIKTNVDL QIRIMNDENF QHGGTNIHYL EKKLGL 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.301 176.300 0.002 0.000 1.140 1 M CA 0.000 55.300 55.300 -0.001 0.000 0.988 1 M CB 0.000 32.600 32.600 0.001 0.000 1.302 2 L N 2.808 124.034 121.223 0.004 0.000 2.455 2 L HA 0.163 4.504 4.340 0.001 0.000 0.272 2 L C 0.820 177.699 176.870 0.016 0.000 1.174 2 L CA 0.048 54.895 54.840 0.011 0.000 0.869 2 L CB 0.276 42.343 42.059 0.014 0.000 1.130 2 L HN 0.852 nan 8.230 nan 0.000 0.474 3 D N 2.406 122.817 120.400 0.019 0.000 2.117 3 D HA -0.109 4.531 4.640 0.001 0.000 0.198 3 D C 0.516 176.831 176.300 0.025 0.000 0.982 3 D CA 1.464 55.475 54.000 0.019 0.000 0.828 3 D CB 0.397 41.209 40.800 0.018 0.000 0.967 3 D HN 0.472 nan 8.370 nan 0.000 0.464 4 K N -0.380 120.042 120.400 0.036 0.000 2.561 4 K HA 0.349 4.669 4.320 0.001 0.000 0.254 4 K C -1.614 175.020 176.600 0.055 0.000 0.942 4 K CA -0.802 55.511 56.287 0.043 0.000 0.818 4 K CB 1.179 33.707 32.500 0.047 0.000 1.306 4 K HN 0.184 nan 8.250 nan 0.000 0.435 5 I N 0.345 120.942 120.570 0.045 0.000 2.785 5 I HA 0.557 4.728 4.170 0.001 0.000 0.302 5 I C -1.063 175.073 176.117 0.033 0.000 1.069 5 I CA -1.079 60.247 61.300 0.044 0.000 1.045 5 I CB 2.178 40.201 38.000 0.039 0.000 1.236 5 I HN 0.179 nan 8.210 nan 0.000 0.429 6 V N 5.862 125.785 119.914 0.015 0.000 2.465 6 V HA 0.326 4.447 4.120 0.001 0.000 0.279 6 V C 0.313 176.421 176.094 0.023 0.000 1.045 6 V CA -0.275 62.030 62.300 0.008 0.000 0.938 6 V CB 1.248 33.050 31.823 -0.035 0.000 0.986 6 V HN 0.510 nan 8.190 nan 0.000 0.467 7 I N 4.723 125.308 120.570 0.025 0.000 2.269 7 I HA 0.318 4.488 4.170 0.001 0.000 0.293 7 I C 0.918 177.029 176.117 -0.010 0.000 1.106 7 I CA -0.076 61.216 61.300 -0.013 0.000 1.248 7 I CB 1.006 38.978 38.000 -0.047 0.000 1.444 7 I HN 0.680 nan 8.210 nan 0.000 0.497 8 A N 6.183 129.004 122.820 0.002 0.000 3.118 8 A HA 0.332 4.652 4.320 0.001 0.000 0.256 8 A C 0.174 177.692 177.584 -0.111 0.000 1.667 8 A CA 0.032 52.068 52.037 -0.001 0.000 1.338 8 A CB -0.567 18.487 19.000 0.090 0.000 1.127 8 A HN 0.779 nan 8.150 nan 0.000 0.634 9 N N 0.048 118.620 118.700 -0.213 0.000 3.441 9 N HA 0.420 5.161 4.740 0.001 0.000 0.313 9 N C -0.978 174.196 175.510 -0.560 0.000 1.526 9 N CA -0.376 52.404 53.050 -0.449 0.000 0.871 9 N CB 1.299 39.581 38.487 -0.343 0.000 1.779 9 N HN 0.654 nan 8.380 nan 0.000 0.529 10 R N -0.925 119.191 120.500 -0.641 0.000 2.870 10 R HA 0.699 5.040 4.340 0.001 0.000 0.262 10 R C 0.505 176.474 176.300 -0.552 0.000 1.112 10 R CA -0.001 55.750 56.100 -0.581 0.000 0.976 10 R CB 0.180 29.983 30.300 -0.828 0.000 1.261 10 R HN 0.684 nan 8.270 nan 0.000 0.453 11 G N 0.981 109.429 108.800 -0.587 0.000 2.564 11 G HA2 -0.457 3.503 3.960 0.001 0.000 0.273 11 G HA3 -0.457 3.503 3.960 0.001 0.000 0.273 11 G C 0.644 175.155 174.900 -0.647 0.000 1.242 11 G CA 1.049 45.569 45.100 -0.966 0.000 0.951 11 G HN 1.018 nan 8.290 nan 0.000 0.564 12 E N -0.371 119.638 120.200 -0.318 0.000 2.106 12 E HA 0.035 4.386 4.350 0.001 0.000 0.192 12 E C 2.471 178.962 176.600 -0.182 0.000 0.984 12 E CA 2.043 58.387 56.400 -0.093 0.000 0.806 12 E CB -0.173 29.529 29.700 0.004 0.000 0.750 12 E HN 0.775 nan 8.360 nan 0.000 0.458 13 I N 0.898 121.313 120.570 -0.258 0.000 2.315 13 I HA -0.046 4.124 4.170 0.001 0.000 0.248 13 I C 2.212 178.081 176.117 -0.414 0.000 1.117 13 I CA 1.251 62.351 61.300 -0.333 0.000 1.404 13 I CB -0.688 36.890 38.000 -0.704 0.000 1.071 13 I HN 0.243 nan 8.210 nan 0.000 0.419 14 A N -0.004 122.492 122.820 -0.541 0.000 1.902 14 A HA -0.187 4.133 4.320 0.001 0.000 0.217 14 A C 2.226 179.480 177.584 -0.550 0.000 1.181 14 A CA 1.849 53.452 52.037 -0.724 0.000 0.623 14 A CB -1.073 17.131 19.000 -1.328 0.000 0.818 14 A HN 0.472 nan 8.150 nan 0.000 0.443 15 L N -0.195 120.800 121.223 -0.379 0.000 2.046 15 L HA -0.104 4.237 4.340 0.001 0.000 0.208 15 L C 2.404 179.207 176.870 -0.112 0.000 1.077 15 L CA 2.448 57.206 54.840 -0.136 0.000 0.747 15 L CB -0.665 41.360 42.059 -0.057 0.000 0.896 15 L HN 0.428 nan 8.230 nan 0.000 0.432 16 R N 0.083 120.504 120.500 -0.131 0.000 2.083 16 R HA -0.165 4.175 4.340 0.001 0.000 0.237 16 R C 2.138 178.373 176.300 -0.109 0.000 1.137 16 R CA 2.313 58.366 56.100 -0.078 0.000 0.951 16 R CB -0.817 29.468 30.300 -0.025 0.000 0.851 16 R HN 0.522 nan 8.270 nan 0.000 0.434 17 I N 0.182 120.628 120.570 -0.207 0.000 2.252 17 I HA -0.225 3.946 4.170 0.001 0.000 0.245 17 I C 2.325 178.363 176.117 -0.132 0.000 1.102 17 I CA 1.070 62.226 61.300 -0.240 0.000 1.385 17 I CB -0.307 37.431 38.000 -0.436 0.000 1.064 17 I HN 0.232 nan 8.210 nan 0.000 0.414 18 L N 0.888 122.047 121.223 -0.106 0.000 2.012 18 L HA -0.251 4.090 4.340 0.001 0.000 0.210 18 L C 2.803 179.662 176.870 -0.018 0.000 1.073 18 L CA 1.704 56.525 54.840 -0.032 0.000 0.748 18 L CB -0.303 41.769 42.059 0.022 0.000 0.891 18 L HN 0.093 nan 8.230 nan 0.000 0.431 19 R N -0.338 120.149 120.500 -0.022 0.000 2.083 19 R HA -0.174 4.166 4.340 0.001 0.000 0.237 19 R C 2.356 178.653 176.300 -0.006 0.000 1.137 19 R CA 1.418 57.514 56.100 -0.007 0.000 0.951 19 R CB -0.722 29.577 30.300 -0.002 0.000 0.851 19 R HN 0.570 nan 8.270 nan 0.000 0.434 20 A N 0.747 123.557 122.820 -0.016 0.000 1.883 20 A HA -0.218 4.103 4.320 0.001 0.000 0.217 20 A C 2.454 180.035 177.584 -0.005 0.000 1.186 20 A CA 1.664 53.695 52.037 -0.010 0.000 0.624 20 A CB -0.976 18.013 19.000 -0.019 0.000 0.822 20 A HN 0.482 nan 8.150 nan 0.000 0.444 21 C N -0.646 118.648 119.300 -0.010 0.000 2.413 21 C HA -0.113 4.348 4.460 0.001 0.000 0.276 21 C C 2.751 177.743 174.990 0.004 0.000 1.236 21 C CA 1.381 60.399 59.018 -0.000 0.000 1.735 21 C CB -1.080 26.660 27.740 0.000 0.000 2.031 21 C HN 0.615 nan 8.230 nan 0.000 0.474 22 K N 0.551 120.953 120.400 0.003 0.000 2.057 22 K HA -0.175 4.146 4.320 0.001 0.000 0.207 22 K C 1.902 178.506 176.600 0.006 0.000 1.049 22 K CA 1.456 57.747 56.287 0.006 0.000 0.931 22 K CB -0.296 32.208 32.500 0.007 0.000 0.714 22 K HN 0.610 nan 8.250 nan 0.000 0.440 23 E N 0.701 120.905 120.200 0.006 0.000 2.118 23 E HA -0.166 4.185 4.350 0.001 0.000 0.195 23 E C 1.699 178.303 176.600 0.006 0.000 0.992 23 E CA 0.940 57.345 56.400 0.007 0.000 0.804 23 E CB -0.022 29.682 29.700 0.008 0.000 0.741 23 E HN 0.257 nan 8.360 nan 0.000 0.458 24 L N -0.536 120.691 121.223 0.006 0.000 2.591 24 L HA 0.152 4.492 4.340 0.001 0.000 0.228 24 L C 1.211 178.085 176.870 0.006 0.000 1.133 24 L CA 0.228 55.071 54.840 0.005 0.000 0.880 24 L CB 0.150 42.213 42.059 0.005 0.000 1.033 24 L HN 0.271 nan 8.230 nan 0.000 0.450 25 G N 1.174 109.978 108.800 0.006 0.000 2.160 25 G HA2 -0.289 3.671 3.960 0.001 0.000 0.251 25 G HA3 -0.289 3.671 3.960 0.001 0.000 0.251 25 G C 0.161 175.066 174.900 0.008 0.000 1.008 25 G CA -0.114 44.990 45.100 0.007 0.000 0.724 25 G HN 0.320 nan 8.290 nan 0.000 0.514 26 I N 0.611 121.187 120.570 0.010 0.000 2.342 26 I HA 0.256 4.426 4.170 0.001 0.000 0.291 26 I C 0.859 176.985 176.117 0.015 0.000 1.010 26 I CA -0.575 60.733 61.300 0.013 0.000 1.308 26 I CB 0.980 38.988 38.000 0.014 0.000 1.400 26 I HN -0.006 nan 8.210 nan 0.000 0.488 27 K N 4.213 124.623 120.400 0.018 0.000 2.382 27 K HA 0.243 4.563 4.320 0.001 0.000 0.275 27 K C 0.096 176.710 176.600 0.023 0.000 1.009 27 K CA -0.188 56.110 56.287 0.019 0.000 0.970 27 K CB 0.590 33.102 32.500 0.021 0.000 0.934 27 K HN 0.666 nan 8.250 nan 0.000 0.479 28 T N -1.799 112.769 114.554 0.023 0.000 2.823 28 T HA 0.478 4.829 4.350 0.001 0.000 0.279 28 T C -0.408 174.311 174.700 0.031 0.000 0.998 28 T CA -0.967 61.150 62.100 0.029 0.000 0.994 28 T CB 1.207 70.094 68.868 0.032 0.000 0.960 28 T HN 0.139 nan 8.240 nan 0.000 0.448 29 V N 2.341 122.277 119.914 0.037 0.000 2.350 29 V HA 0.678 4.799 4.120 0.001 0.000 0.285 29 V C 0.355 176.482 176.094 0.056 0.000 1.014 29 V CA -1.029 61.293 62.300 0.038 0.000 0.831 29 V CB 0.994 32.834 31.823 0.030 0.000 1.000 29 V HN 1.242 nan 8.190 nan 0.000 0.433 30 A N 5.535 128.393 122.820 0.063 0.000 2.316 30 A HA 0.680 5.000 4.320 0.001 0.000 0.311 30 A C -0.009 177.652 177.584 0.128 0.000 1.339 30 A CA -0.429 51.669 52.037 0.103 0.000 0.960 30 A CB 0.506 19.478 19.000 -0.046 0.000 1.152 30 A HN 1.160 nan 8.150 nan 0.000 0.547 31 V N 2.285 122.266 119.914 0.112 0.000 2.546 31 V HA 0.783 4.904 4.120 0.001 0.000 0.284 31 V C -0.314 175.853 176.094 0.121 0.000 1.050 31 V CA -0.292 62.025 62.300 0.028 0.000 0.981 31 V CB 0.248 32.047 31.823 -0.039 0.000 0.990 31 V HN 1.097 nan 8.190 nan 0.000 0.474 32 H N 1.334 120.376 119.070 -0.048 0.000 3.016 32 H HA 0.780 5.337 4.556 0.001 0.000 0.362 32 H C -0.187 175.007 175.328 -0.224 0.000 1.233 32 H CA -0.181 55.848 56.048 -0.033 0.000 1.124 32 H CB 1.086 30.867 29.762 0.032 0.000 1.850 32 H HN 0.909 nan 8.280 nan 0.000 0.549 33 S N 0.530 116.102 115.700 -0.214 0.000 2.624 33 S HA 0.102 4.573 4.470 0.001 0.000 0.263 33 S C 1.288 175.951 174.600 0.105 0.000 1.287 33 S CA -0.122 57.965 58.200 -0.187 0.000 0.990 33 S CB 0.962 64.096 63.200 -0.110 0.000 0.950 33 S HN 1.055 nan 8.310 nan 0.000 0.561 34 S N 0.745 116.461 115.700 0.027 0.000 2.419 34 S HA -0.065 4.405 4.470 0.001 0.000 0.233 34 S C 1.800 176.480 174.600 0.135 0.000 1.016 34 S CA 0.619 58.871 58.200 0.087 0.000 0.974 34 S CB -1.083 62.123 63.200 0.009 0.000 0.786 34 S HN 1.136 nan 8.310 nan 0.000 0.492 35 A N 1.012 123.920 122.820 0.147 0.000 2.167 35 A HA 0.108 4.428 4.320 0.001 0.000 0.214 35 A C 1.278 179.037 177.584 0.293 0.000 1.151 35 A CA 0.986 53.160 52.037 0.228 0.000 0.735 35 A CB -0.181 18.990 19.000 0.285 0.000 0.802 35 A HN 0.432 nan 8.150 nan 0.000 0.467 36 D N -1.418 119.157 120.400 0.292 0.000 2.501 36 D HA 0.123 4.764 4.640 0.001 0.000 0.226 36 D C 1.453 177.787 176.300 0.056 0.000 1.198 36 D CA -0.103 54.052 54.000 0.258 0.000 0.830 36 D CB 0.062 41.044 40.800 0.304 0.000 1.014 36 D HN 0.431 nan 8.370 nan 0.000 0.496 37 R N 0.664 121.167 120.500 0.006 0.000 2.159 37 R HA -0.090 4.251 4.340 0.001 0.000 0.237 37 R C 0.204 176.427 176.300 -0.129 0.000 1.131 37 R CA 1.208 57.170 56.100 -0.230 0.000 0.982 37 R CB 0.292 30.575 30.300 -0.028 0.000 0.868 37 R HN -0.065 nan 8.270 nan 0.000 0.453 38 D N 0.235 120.675 120.400 0.067 0.000 2.388 38 D HA 0.073 4.714 4.640 0.001 0.000 0.221 38 D C -0.155 176.323 176.300 0.298 0.000 1.133 38 D CA -0.043 54.067 54.000 0.183 0.000 0.831 38 D CB 0.232 41.199 40.800 0.279 0.000 0.962 38 D HN 0.222 nan 8.370 nan 0.000 0.502 39 L N 1.296 122.623 121.223 0.174 0.000 2.485 39 L HA -0.004 4.337 4.340 0.001 0.000 0.275 39 L C 2.068 178.981 176.870 0.073 0.000 1.207 39 L CA 0.092 55.016 54.840 0.140 0.000 0.855 39 L CB 1.057 43.164 42.059 0.079 0.000 1.114 39 L HN -0.114 nan 8.230 nan 0.000 0.485 40 K N 2.326 122.806 120.400 0.133 0.000 2.044 40 K HA -0.256 4.064 4.320 0.001 0.000 0.210 40 K C 2.058 178.672 176.600 0.022 0.000 1.049 40 K CA 2.061 58.393 56.287 0.075 0.000 0.927 40 K CB -0.118 32.448 32.500 0.111 0.000 0.713 40 K HN 0.831 nan 8.250 nan 0.000 0.443 41 H N -0.357 118.691 119.070 -0.037 0.000 2.423 41 H HA -0.047 4.509 4.556 0.001 0.000 0.297 41 H C 1.914 177.214 175.328 -0.047 0.000 1.075 41 H CA 1.271 57.288 56.048 -0.053 0.000 1.342 41 H CB -0.560 29.153 29.762 -0.081 0.000 1.395 41 H HN 0.048 nan 8.280 nan 0.000 0.530 42 V N 1.971 121.428 119.914 -0.763 0.000 2.295 42 V HA -0.242 3.878 4.120 0.001 0.000 0.246 42 V C 3.109 179.048 176.094 -0.258 0.000 1.049 42 V CA 1.660 63.628 62.300 -0.553 0.000 1.024 42 V CB -0.641 30.865 31.823 -0.529 0.000 0.648 42 V HN 0.291 nan 8.190 nan 0.000 0.447 43 L N -0.838 120.276 121.223 -0.181 0.000 2.265 43 L HA -0.125 4.216 4.340 0.001 0.000 0.215 43 L C 2.118 178.938 176.870 -0.084 0.000 1.117 43 L CA 1.203 55.976 54.840 -0.113 0.000 0.782 43 L CB -0.390 41.609 42.059 -0.100 0.000 0.914 43 L HN 0.324 nan 8.230 nan 0.000 0.441 44 L N -0.836 120.341 121.223 -0.076 0.000 2.513 44 L HA 0.226 4.567 4.340 0.001 0.000 0.222 44 L C 1.415 178.267 176.870 -0.029 0.000 1.096 44 L CA -0.445 54.371 54.840 -0.039 0.000 0.857 44 L CB -0.158 41.893 42.059 -0.014 0.000 1.026 44 L HN 0.093 nan 8.230 nan 0.000 0.469 45 A N 0.135 122.927 122.820 -0.046 0.000 2.406 45 A HA 0.017 4.337 4.320 0.001 0.000 0.243 45 A C 0.740 178.317 177.584 -0.013 0.000 1.082 45 A CA -0.197 51.828 52.037 -0.020 0.000 0.786 45 A CB 0.223 19.205 19.000 -0.030 0.000 1.029 45 A HN 0.160 nan 8.150 nan 0.000 0.495 46 D N 0.316 120.717 120.400 0.002 0.000 2.117 46 D HA -0.024 4.617 4.640 0.001 0.000 0.198 46 D C 0.282 176.585 176.300 0.005 0.000 0.982 46 D CA 1.425 55.427 54.000 0.004 0.000 0.828 46 D CB 0.247 41.053 40.800 0.010 0.000 0.967 46 D HN 0.738 nan 8.370 nan 0.000 0.464 47 E N -0.647 119.560 120.200 0.010 0.000 2.343 47 E HA 0.414 4.765 4.350 0.001 0.000 0.270 47 E C -0.657 175.956 176.600 0.022 0.000 0.895 47 E CA -0.570 55.839 56.400 0.016 0.000 0.767 47 E CB 2.547 32.259 29.700 0.020 0.000 1.248 47 E HN -0.033 nan 8.360 nan 0.000 0.440 48 T N -1.833 112.742 114.554 0.036 0.000 2.900 48 T HA 0.687 5.038 4.350 0.001 0.000 0.295 48 T C -0.816 173.926 174.700 0.069 0.000 1.044 48 T CA -0.711 61.438 62.100 0.082 0.000 0.995 48 T CB 1.302 70.236 68.868 0.111 0.000 1.072 48 T HN 0.149 nan 8.240 nan 0.000 0.473 49 V N 1.673 121.605 119.914 0.031 0.000 2.569 49 V HA 0.426 4.547 4.120 0.001 0.000 0.301 49 V C 0.122 175.995 176.094 -0.367 0.000 1.044 49 V CA -1.189 61.054 62.300 -0.094 0.000 0.874 49 V CB 1.510 33.285 31.823 -0.079 0.000 1.002 49 V HN 1.298 nan 8.190 nan 0.000 0.424 50 C N 6.833 125.876 119.300 -0.430 0.000 2.482 50 C HA 0.453 4.913 4.460 0.001 0.000 0.378 50 C C 1.644 176.410 174.990 -0.374 0.000 1.284 50 C CA -0.246 58.386 59.018 -0.645 0.000 1.826 50 C CB -1.210 26.323 27.740 -0.344 0.000 2.473 50 C HN 0.889 nan 8.230 nan 0.000 0.562 51 I N 4.325 124.655 120.570 -0.400 0.000 3.956 51 I HA 0.539 4.710 4.170 0.001 0.000 0.333 51 I C 0.807 176.772 176.117 -0.253 0.000 1.302 51 I CA 0.431 61.560 61.300 -0.285 0.000 1.122 51 I CB -0.504 37.322 38.000 -0.289 0.000 1.013 51 I HN 0.801 nan 8.210 nan 0.000 0.405 52 G N 1.492 110.141 108.800 -0.251 0.000 2.369 52 G HA2 0.147 4.107 3.960 0.001 0.000 0.293 52 G HA3 0.147 4.107 3.960 0.001 0.000 0.293 52 G C -3.306 171.491 174.900 -0.171 0.000 1.301 52 G CA -0.787 44.202 45.100 -0.185 0.000 0.913 52 G HN -0.072 nan 8.290 nan 0.000 0.540 53 P HA 0.403 nan 4.420 nan 0.000 0.274 53 P C 1.222 178.427 177.300 -0.159 0.000 1.260 53 P CA 0.761 63.783 63.100 -0.129 0.000 0.793 53 P CB 0.641 32.275 31.700 -0.110 0.000 1.048 54 A N 0.842 123.520 122.820 -0.236 0.000 1.892 54 A HA -0.062 4.259 4.320 0.001 0.000 0.218 54 A C -1.115 176.340 177.584 -0.215 0.000 1.188 54 A CA 1.499 53.323 52.037 -0.355 0.000 0.631 54 A CB -2.630 15.698 19.000 -1.120 0.000 0.822 54 A HN 0.540 nan 8.150 nan 0.000 0.447 55 P HA 0.148 nan 4.420 nan 0.000 0.265 55 P C 0.584 177.951 177.300 0.112 0.000 1.193 55 P CA 0.381 63.462 63.100 -0.032 0.000 0.765 55 P CB 0.881 32.563 31.700 -0.029 0.000 0.823 56 S N 1.844 117.716 115.700 0.288 0.000 2.383 56 S HA -0.142 4.328 4.470 0.001 0.000 0.229 56 S C 1.890 176.600 174.600 0.185 0.000 1.030 56 S CA 1.075 59.507 58.200 0.388 0.000 1.002 56 S CB -0.741 62.834 63.200 0.625 0.000 0.829 56 S HN 0.426 nan 8.310 nan 0.000 0.467 57 V N 1.875 121.866 119.914 0.128 0.000 2.469 57 V HA -0.167 3.953 4.120 0.001 0.000 0.251 57 V C 1.759 177.858 176.094 0.008 0.000 1.064 57 V CA 1.650 63.988 62.300 0.064 0.000 1.066 57 V CB -0.334 31.519 31.823 0.051 0.000 0.667 57 V HN 0.326 nan 8.190 nan 0.000 0.461 58 K N 0.117 120.507 120.400 -0.017 0.000 2.400 58 K HA 0.153 4.473 4.320 0.001 0.000 0.194 58 K C 1.633 178.157 176.600 -0.126 0.000 1.033 58 K CA 1.023 57.272 56.287 -0.064 0.000 1.021 58 K CB 0.425 32.883 32.500 -0.071 0.000 0.808 58 K HN 0.754 nan 8.250 nan 0.000 0.505 59 S N -1.191 114.408 115.700 -0.168 0.000 3.799 59 S HA 0.056 4.526 4.470 0.001 0.000 0.170 59 S C 1.608 175.968 174.600 -0.400 0.000 0.840 59 S CA -0.317 57.664 58.200 -0.366 0.000 1.025 59 S CB -0.567 62.296 63.200 -0.563 0.000 1.455 59 S HN 0.017 nan 8.310 nan 0.000 0.804 60 Y N 2.306 122.483 120.300 -0.204 0.000 2.497 60 Y HA 0.341 4.891 4.550 0.001 0.000 0.292 60 Y C 1.840 177.576 175.900 -0.273 0.000 1.137 60 Y CA 0.548 58.398 58.100 -0.415 0.000 1.285 60 Y CB -0.507 37.352 38.460 -1.001 0.000 0.991 60 Y HN 0.244 nan 8.280 nan 0.000 0.556 61 L N -0.290 120.939 121.223 0.010 0.000 2.667 61 L HA 0.125 4.465 4.340 0.001 0.000 0.232 61 L C 0.524 177.351 176.870 -0.072 0.000 1.138 61 L CA -0.113 54.728 54.840 0.001 0.000 0.921 61 L CB -0.069 42.054 42.059 0.107 0.000 1.180 61 L HN 0.005 nan 8.230 nan 0.000 0.487 62 N N 1.421 120.059 118.700 -0.102 0.000 2.555 62 N HA 0.171 4.912 4.740 0.001 0.000 0.244 62 N C 0.980 176.438 175.510 -0.087 0.000 1.114 62 N CA 0.100 53.098 53.050 -0.086 0.000 0.963 62 N CB 0.586 39.013 38.487 -0.100 0.000 1.276 62 N HN 0.171 nan 8.380 nan 0.000 0.510 63 I N 3.986 124.522 120.570 -0.056 0.000 2.127 63 I HA -0.178 3.992 4.170 0.001 0.000 0.241 63 I C -0.694 175.458 176.117 0.059 0.000 1.075 63 I CA 1.016 62.326 61.300 0.017 0.000 1.334 63 I CB -0.951 37.116 38.000 0.112 0.000 1.040 63 I HN 0.401 nan 8.210 nan 0.000 0.405 64 P HA -0.185 nan 4.420 nan 0.000 0.215 64 P C 1.470 178.772 177.300 0.004 0.000 1.153 64 P CA 1.869 64.986 63.100 0.028 0.000 0.853 64 P CB -0.045 31.663 31.700 0.014 0.000 0.788 65 A N -0.799 122.004 122.820 -0.028 0.000 1.902 65 A HA -0.176 4.145 4.320 0.001 0.000 0.217 65 A C 2.212 179.761 177.584 -0.058 0.000 1.181 65 A CA 1.493 53.495 52.037 -0.058 0.000 0.623 65 A CB -1.590 17.350 19.000 -0.100 0.000 0.818 65 A HN 0.116 nan 8.150 nan 0.000 0.443 66 I N -0.067 120.474 120.570 -0.048 0.000 2.202 66 I HA -0.208 3.963 4.170 0.001 0.000 0.242 66 I C 2.166 178.263 176.117 -0.034 0.000 1.091 66 I CA 0.805 62.084 61.300 -0.034 0.000 1.368 66 I CB -0.248 37.752 38.000 0.000 0.000 1.058 66 I HN 0.235 nan 8.210 nan 0.000 0.410 67 I N 0.175 120.748 120.570 0.006 0.000 2.226 67 I HA -0.285 3.885 4.170 0.001 0.000 0.245 67 I C 2.790 178.903 176.117 -0.007 0.000 1.100 67 I CA 1.484 62.759 61.300 -0.042 0.000 1.374 67 I CB -1.386 36.649 38.000 0.059 0.000 1.057 67 I HN 0.241 nan 8.210 nan 0.000 0.413 68 S N 0.865 116.575 115.700 0.017 0.000 2.365 68 S HA -0.211 4.260 4.470 0.001 0.000 0.225 68 S C 2.277 176.886 174.600 0.015 0.000 1.039 68 S CA 1.803 60.019 58.200 0.026 0.000 1.033 68 S CB -0.237 62.967 63.200 0.006 0.000 0.887 68 S HN 0.487 nan 8.310 nan 0.000 0.447 69 A N 1.400 124.206 122.820 -0.022 0.000 1.908 69 A HA 0.091 4.411 4.320 0.001 0.000 0.218 69 A C 2.494 180.072 177.584 -0.010 0.000 1.181 69 A CA 2.127 54.148 52.037 -0.027 0.000 0.627 69 A CB -1.459 17.507 19.000 -0.056 0.000 0.818 69 A HN 0.831 nan 8.150 nan 0.000 0.445 70 A N -0.418 122.364 122.820 -0.063 0.000 1.933 70 A HA -0.163 4.158 4.320 0.001 0.000 0.218 70 A C 1.934 179.639 177.584 0.201 0.000 1.175 70 A CA 1.670 53.653 52.037 -0.090 0.000 0.628 70 A CB -0.494 18.123 19.000 -0.638 0.000 0.814 70 A HN 0.656 nan 8.150 nan 0.000 0.444 71 E N -0.237 120.125 120.200 0.270 0.000 2.028 71 E HA -0.159 4.191 4.350 0.001 0.000 0.191 71 E C 2.066 178.755 176.600 0.149 0.000 0.988 71 E CA 1.374 57.958 56.400 0.307 0.000 0.799 71 E CB -0.396 29.446 29.700 0.236 0.000 0.755 71 E HN 0.842 nan 8.360 nan 0.000 0.447 72 I N 0.596 121.221 120.570 0.093 0.000 2.394 72 I HA -0.172 3.999 4.170 0.001 0.000 0.251 72 I C 2.268 178.416 176.117 0.051 0.000 1.136 72 I CA 1.876 63.209 61.300 0.055 0.000 1.425 72 I CB -0.439 37.580 38.000 0.030 0.000 1.079 72 I HN 0.045 nan 8.210 nan 0.000 0.425 73 T N -1.843 112.747 114.554 0.060 0.000 3.113 73 T HA 0.300 4.650 4.350 0.001 0.000 0.256 73 T C 1.580 176.320 174.700 0.068 0.000 1.131 73 T CA 0.416 62.548 62.100 0.053 0.000 1.074 73 T CB -0.223 68.671 68.868 0.044 0.000 0.944 73 T HN 0.802 nan 8.240 nan 0.000 0.516 74 G N 1.345 110.202 108.800 0.096 0.000 2.176 74 G HA2 -0.033 3.927 3.960 0.001 0.000 0.252 74 G HA3 -0.033 3.927 3.960 0.001 0.000 0.252 74 G C 0.284 175.255 174.900 0.118 0.000 1.024 74 G CA -0.041 45.114 45.100 0.090 0.000 0.755 74 G HN 1.158 nan 8.290 nan 0.000 0.507 75 A N -0.819 122.111 122.820 0.183 0.000 2.406 75 A HA 0.709 5.030 4.320 0.001 0.000 0.243 75 A C 1.676 179.441 177.584 0.302 0.000 1.082 75 A CA 0.764 52.919 52.037 0.197 0.000 0.786 75 A CB 0.829 19.921 19.000 0.154 0.000 1.029 75 A HN 1.632 nan 8.150 nan 0.000 0.495 76 V N -2.702 117.347 119.914 0.225 0.000 3.605 76 V HA 0.641 4.761 4.120 0.001 0.000 0.284 76 V C 0.517 176.778 176.094 0.279 0.000 1.386 76 V CA 0.783 63.206 62.300 0.206 0.000 1.053 76 V CB -0.965 30.901 31.823 0.073 0.000 0.857 76 V HN 1.718 nan 8.190 nan 0.000 0.436 77 A N 0.119 123.079 122.820 0.235 0.000 2.606 77 A HA 0.873 5.194 4.320 0.001 0.000 0.293 77 A C -1.351 176.252 177.584 0.032 0.000 1.082 77 A CA -0.628 51.487 52.037 0.131 0.000 0.685 77 A CB 1.699 20.727 19.000 0.047 0.000 1.284 77 A HN 0.284 nan 8.150 nan 0.000 0.408 78 I N 1.671 122.223 120.570 -0.030 0.000 2.466 78 I HA 0.314 4.485 4.170 0.001 0.000 0.289 78 I C -0.938 175.122 176.117 -0.095 0.000 1.026 78 I CA -0.533 60.741 61.300 -0.044 0.000 1.078 78 I CB 1.995 39.970 38.000 -0.042 0.000 1.249 78 I HN 0.730 nan 8.210 nan 0.000 0.429 79 H N 8.511 127.509 119.070 -0.120 0.000 2.556 79 H HA 0.347 4.904 4.556 0.001 0.000 0.310 79 H C -2.098 173.165 175.328 -0.108 0.000 1.057 79 H CA -2.245 53.697 56.048 -0.175 0.000 1.264 79 H CB 2.071 31.744 29.762 -0.148 0.000 1.404 79 H HN 0.320 nan 8.280 nan 0.000 0.462 80 P HA 0.091 nan 4.420 nan 0.000 0.249 80 P C 0.871 178.271 177.300 0.167 0.000 1.229 80 P CA 0.920 64.148 63.100 0.213 0.000 0.788 80 P CB 0.731 32.614 31.700 0.306 0.000 1.072 81 G N 1.140 110.084 108.800 0.240 0.000 2.596 81 G HA2 -0.260 3.700 3.960 0.001 0.000 0.295 81 G HA3 -0.260 3.700 3.960 0.001 0.000 0.295 81 G C -0.506 174.437 174.900 0.071 0.000 1.240 81 G CA 0.634 45.714 45.100 -0.033 0.000 0.985 81 G HN 0.456 nan 8.290 nan 0.000 0.555 82 Y N -1.163 119.182 120.300 0.075 0.000 2.598 82 Y HA 0.697 5.247 4.550 0.001 0.000 0.340 82 Y C 1.008 176.934 175.900 0.043 0.000 1.038 82 Y CA -0.522 57.615 58.100 0.062 0.000 1.100 82 Y CB 0.822 39.302 38.460 0.033 0.000 1.281 82 Y HN 2.534 nan 8.280 nan 0.000 0.488 83 G N 1.418 110.382 108.800 0.273 0.000 2.601 83 G HA2 -0.271 3.689 3.960 0.001 0.000 0.261 83 G HA3 -0.271 3.689 3.960 0.001 0.000 0.261 83 G C 0.168 175.113 174.900 0.075 0.000 1.289 83 G CA 0.539 45.670 45.100 0.052 0.000 0.920 83 G HN 1.286 nan 8.290 nan 0.000 0.571 84 F N -1.868 118.115 119.950 0.056 0.000 2.784 84 F HA -0.325 4.203 4.527 0.001 0.000 0.231 84 F C 2.291 178.097 175.800 0.010 0.000 1.467 84 F CA 2.452 60.463 58.000 0.018 0.000 1.913 84 F CB -1.186 37.796 39.000 -0.031 0.000 0.488 84 F HN 0.435 nan 8.300 nan 0.000 0.282 85 L N 0.344 121.687 121.223 0.200 0.000 2.667 85 L HA 0.131 4.472 4.340 0.001 0.000 0.232 85 L C 1.870 178.908 176.870 0.281 0.000 1.138 85 L CA 0.605 55.488 54.840 0.071 0.000 0.921 85 L CB -0.214 41.584 42.059 -0.436 0.000 1.180 85 L HN 0.519 nan 8.230 nan 0.000 0.487 86 S N -0.507 115.366 115.700 0.288 0.000 2.419 86 S HA -0.149 4.321 4.470 0.001 0.000 0.233 86 S C 1.270 176.064 174.600 0.323 0.000 1.016 86 S CA 0.920 59.327 58.200 0.345 0.000 0.974 86 S CB -0.121 63.230 63.200 0.253 0.000 0.786 86 S HN 0.536 nan 8.310 nan 0.000 0.492 87 E N 1.186 121.519 120.200 0.222 0.000 2.569 87 E HA 0.228 4.578 4.350 0.001 0.000 0.205 87 E C -0.543 176.135 176.600 0.130 0.000 1.006 87 E CA -0.324 56.174 56.400 0.163 0.000 0.985 87 E CB 0.173 29.941 29.700 0.113 0.000 1.060 87 E HN 0.348 nan 8.360 nan 0.000 0.460 88 N N 1.228 120.027 118.700 0.164 0.000 2.469 88 N HA 0.121 4.861 4.740 0.001 0.000 0.239 88 N C 0.585 176.146 175.510 0.085 0.000 1.053 88 N CA 0.025 53.155 53.050 0.133 0.000 0.937 88 N CB 1.236 39.819 38.487 0.159 0.000 1.163 88 N HN 0.108 nan 8.380 nan 0.000 0.509 89 A N 4.443 127.279 122.820 0.027 0.000 1.933 89 A HA -0.179 4.142 4.320 0.001 0.000 0.218 89 A C 1.849 179.392 177.584 -0.069 0.000 1.175 89 A CA 1.180 53.189 52.037 -0.047 0.000 0.628 89 A CB -0.224 18.761 19.000 -0.025 0.000 0.814 89 A HN 0.662 nan 8.150 nan 0.000 0.444 90 N N -0.900 117.799 118.700 -0.001 0.000 2.166 90 N HA -0.142 4.599 4.740 0.001 0.000 0.186 90 N C 1.421 176.946 175.510 0.026 0.000 1.019 90 N CA 1.477 54.532 53.050 0.009 0.000 0.856 90 N CB -0.645 37.868 38.487 0.043 0.000 0.993 90 N HN 0.637 nan 8.380 nan 0.000 0.426 91 F N 1.484 121.376 119.950 -0.097 0.000 2.075 91 F HA -0.176 4.351 4.527 0.001 0.000 0.297 91 F C 2.217 177.865 175.800 -0.255 0.000 1.113 91 F CA 1.472 59.408 58.000 -0.107 0.000 1.218 91 F CB -0.179 38.799 39.000 -0.037 0.000 0.984 91 F HN 0.048 nan 8.300 nan 0.000 0.472 92 A N 0.070 122.500 122.820 -0.651 0.000 1.892 92 A HA -0.322 3.998 4.320 0.001 0.000 0.218 92 A C 2.142 179.331 177.584 -0.659 0.000 1.188 92 A CA 2.121 53.400 52.037 -1.264 0.000 0.631 92 A CB -1.197 17.025 19.000 -1.296 0.000 0.822 92 A HN 0.640 nan 8.150 nan 0.000 0.447 93 E N -1.128 118.850 120.200 -0.370 0.000 2.051 93 E HA -0.303 4.047 4.350 0.001 0.000 0.192 93 E C 2.210 178.712 176.600 -0.165 0.000 0.991 93 E CA 1.582 57.857 56.400 -0.209 0.000 0.799 93 E CB -0.151 29.475 29.700 -0.124 0.000 0.748 93 E HN 0.582 nan 8.360 nan 0.000 0.449 94 Q N 0.271 119.978 119.800 -0.154 0.000 2.119 94 Q HA -0.100 4.240 4.340 0.001 0.000 0.201 94 Q C 2.057 178.002 176.000 -0.092 0.000 0.972 94 Q CA 1.397 57.151 55.803 -0.081 0.000 0.847 94 Q CB -0.231 28.501 28.738 -0.010 0.000 0.903 94 Q HN 0.233 nan 8.270 nan 0.000 0.433 95 V N 0.889 120.650 119.914 -0.255 0.000 2.287 95 V HA -0.278 3.843 4.120 0.001 0.000 0.248 95 V C 2.101 178.226 176.094 0.052 0.000 1.053 95 V CA 2.331 64.537 62.300 -0.157 0.000 1.027 95 V CB -0.522 31.092 31.823 -0.348 0.000 0.646 95 V HN 0.456 nan 8.190 nan 0.000 0.447 96 E N -0.399 119.775 120.200 -0.042 0.000 2.072 96 E HA -0.181 4.169 4.350 0.001 0.000 0.191 96 E C 2.474 179.070 176.600 -0.007 0.000 0.985 96 E CA 0.884 57.281 56.400 -0.005 0.000 0.801 96 E CB -0.170 29.502 29.700 -0.046 0.000 0.750 96 E HN 0.524 nan 8.360 nan 0.000 0.452 97 R N 0.434 120.922 120.500 -0.020 0.000 2.096 97 R HA -0.040 4.300 4.340 0.001 0.000 0.235 97 R C 2.195 178.497 176.300 0.004 0.000 1.127 97 R CA 1.103 57.195 56.100 -0.013 0.000 0.968 97 R CB -0.078 30.213 30.300 -0.015 0.000 0.861 97 R HN -0.031 nan 8.270 nan 0.000 0.440 98 S N -0.802 114.933 115.700 0.057 0.000 2.607 98 S HA 0.079 4.549 4.470 0.001 0.000 0.224 98 S C 1.078 175.631 174.600 -0.079 0.000 0.969 98 S CA 0.759 59.012 58.200 0.088 0.000 0.927 98 S CB 0.766 64.136 63.200 0.283 0.000 0.772 98 S HN 0.688 nan 8.310 nan 0.000 0.533 99 G N 0.618 109.358 108.800 -0.099 0.000 2.144 99 G HA2 -0.217 3.743 3.960 0.001 0.000 0.218 99 G HA3 -0.217 3.743 3.960 0.001 0.000 0.218 99 G C -0.100 174.601 174.900 -0.333 0.000 0.988 99 G CA -0.515 44.443 45.100 -0.236 0.000 0.659 99 G HN 0.412 nan 8.290 nan 0.000 0.522 100 F N 0.138 120.072 119.950 -0.026 0.000 2.440 100 F HA 0.701 5.228 4.527 0.001 0.000 0.328 100 F C 1.153 176.944 175.800 -0.015 0.000 1.070 100 F CA -1.217 56.771 58.000 -0.019 0.000 1.011 100 F CB 0.989 39.979 39.000 -0.016 0.000 1.226 100 F HN -0.065 nan 8.300 nan 0.000 0.491 101 I N 2.449 123.132 120.570 0.188 0.000 2.416 101 I HA 0.046 4.216 4.170 0.001 0.000 0.288 101 I C -0.508 175.677 176.117 0.113 0.000 1.051 101 I CA -0.108 61.254 61.300 0.103 0.000 1.375 101 I CB 0.428 38.453 38.000 0.042 0.000 1.407 101 I HN 0.421 nan 8.210 nan 0.000 0.516 102 F N 7.683 127.591 119.950 -0.070 0.000 2.411 102 F HA 0.428 4.956 4.527 0.001 0.000 0.355 102 F C 0.313 176.028 175.800 -0.141 0.000 1.117 102 F CA -0.544 57.378 58.000 -0.130 0.000 1.139 102 F CB 0.570 39.467 39.000 -0.172 0.000 1.120 102 F HN 0.272 nan 8.300 nan 0.000 0.493 103 I N 7.352 127.461 120.570 -0.768 0.000 2.270 103 I HA 0.385 4.555 4.170 0.001 0.000 0.300 103 I C 0.595 176.162 176.117 -0.916 0.000 1.186 103 I CA 0.315 61.190 61.300 -0.708 0.000 1.431 103 I CB -0.930 36.647 38.000 -0.705 0.000 1.485 103 I HN 0.801 nan 8.210 nan 0.000 0.650 104 G N 6.324 114.795 108.800 -0.549 0.000 2.325 104 G HA2 0.296 4.256 3.960 0.001 0.000 0.295 104 G HA3 0.296 4.256 3.960 0.001 0.000 0.295 104 G C -3.303 171.575 174.900 -0.035 0.000 1.274 104 G CA -0.703 44.236 45.100 -0.269 0.000 0.857 104 G HN 0.112 nan 8.290 nan 0.000 0.499 105 P HA 0.320 nan 4.420 nan 0.000 0.277 105 P C -0.493 176.799 177.300 -0.015 0.000 1.271 105 P CA -0.482 62.507 63.100 -0.185 0.000 0.795 105 P CB 0.521 32.028 31.700 -0.321 0.000 1.101 106 K N 0.076 120.430 120.400 -0.077 0.000 2.414 106 K HA 0.134 4.454 4.320 0.001 0.000 0.272 106 K C 1.508 178.065 176.600 -0.072 0.000 0.993 106 K CA 0.193 56.445 56.287 -0.059 0.000 0.964 106 K CB 0.155 32.624 32.500 -0.052 0.000 0.925 106 K HN 0.463 nan 8.250 nan 0.000 0.487 107 A N 3.600 126.349 122.820 -0.118 0.000 1.917 107 A HA -0.198 4.122 4.320 0.001 0.000 0.219 107 A C 1.713 179.259 177.584 -0.063 0.000 1.182 107 A CA 1.484 53.442 52.037 -0.131 0.000 0.633 107 A CB -0.201 18.704 19.000 -0.159 0.000 0.819 107 A HN 0.763 nan 8.150 nan 0.000 0.448 108 E N -0.518 119.655 120.200 -0.044 0.000 2.204 108 E HA -0.117 4.234 4.350 0.001 0.000 0.195 108 E C 2.042 178.643 176.600 0.001 0.000 0.990 108 E CA 1.592 57.980 56.400 -0.020 0.000 0.821 108 E CB -0.549 29.140 29.700 -0.017 0.000 0.750 108 E HN 0.668 nan 8.360 nan 0.000 0.477 109 T N 1.461 116.021 114.554 0.009 0.000 2.857 109 T HA -0.034 4.316 4.350 0.001 0.000 0.266 109 T C 2.139 176.879 174.700 0.068 0.000 1.048 109 T CA 0.590 62.721 62.100 0.052 0.000 1.139 109 T CB -0.112 68.795 68.868 0.065 0.000 0.874 109 T HN 0.104 nan 8.240 nan 0.000 0.455 110 I N 1.715 122.311 120.570 0.044 0.000 2.163 110 I HA -0.240 3.930 4.170 0.001 0.000 0.243 110 I C 2.750 178.886 176.117 0.033 0.000 1.085 110 I CA 1.426 62.757 61.300 0.051 0.000 1.347 110 I CB -0.371 37.646 38.000 0.030 0.000 1.044 110 I HN 0.258 nan 8.210 nan 0.000 0.408 111 R N 0.565 121.073 120.500 0.013 0.000 2.092 111 R HA -0.138 4.203 4.340 0.001 0.000 0.231 111 R C 2.284 178.590 176.300 0.010 0.000 1.119 111 R CA 1.035 57.140 56.100 0.009 0.000 0.970 111 R CB -0.881 29.420 30.300 0.001 0.000 0.864 111 R HN 0.236 nan 8.270 nan 0.000 0.440 112 L N 1.001 122.233 121.223 0.015 0.000 1.989 112 L HA -0.096 4.245 4.340 0.001 0.000 0.211 112 L C 1.995 178.874 176.870 0.015 0.000 1.071 112 L CA 1.883 56.731 54.840 0.013 0.000 0.749 112 L CB -0.223 41.849 42.059 0.021 0.000 0.890 112 L HN 0.144 nan 8.230 nan 0.000 0.431 113 M N -1.034 118.585 119.600 0.032 0.000 2.541 113 M HA 0.176 4.656 4.480 0.001 0.000 0.252 113 M C 2.044 178.361 176.300 0.027 0.000 1.125 113 M CA 0.888 56.211 55.300 0.037 0.000 1.091 113 M CB -1.598 31.025 32.600 0.039 0.000 1.420 113 M HN 0.385 nan 8.290 nan 0.000 0.486 114 G N 0.029 108.839 108.800 0.017 0.000 2.430 114 G HA2 -0.120 3.841 3.960 0.001 0.000 0.216 114 G HA3 -0.120 3.841 3.960 0.001 0.000 0.216 114 G C 0.153 175.039 174.900 -0.023 0.000 1.146 114 G CA 0.057 45.157 45.100 0.000 0.000 0.793 114 G HN 0.433 nan 8.290 nan 0.000 0.537 115 D N -0.465 119.924 120.400 -0.019 0.000 2.280 115 D HA 0.295 4.935 4.640 0.001 0.000 0.243 115 D C 1.476 177.746 176.300 -0.051 0.000 1.129 115 D CA -0.344 53.635 54.000 -0.035 0.000 0.848 115 D CB 0.943 41.727 40.800 -0.026 0.000 1.107 115 D HN -0.009 nan 8.370 nan 0.000 0.471 116 K N 2.237 122.592 120.400 -0.075 0.000 2.097 116 K HA -0.082 4.238 4.320 0.001 0.000 0.205 116 K C 1.722 178.148 176.600 -0.289 0.000 1.050 116 K CA 0.714 56.920 56.287 -0.134 0.000 0.938 116 K CB 0.040 32.489 32.500 -0.085 0.000 0.718 116 K HN 0.334 nan 8.250 nan 0.000 0.442 117 V N 1.846 121.565 119.914 -0.324 0.000 2.261 117 V HA -0.273 3.848 4.120 0.001 0.000 0.246 117 V C 2.569 178.571 176.094 -0.153 0.000 1.047 117 V CA 2.340 64.456 62.300 -0.306 0.000 1.015 117 V CB -0.563 31.153 31.823 -0.178 0.000 0.642 117 V HN 0.449 nan 8.190 nan 0.000 0.446 118 S N 0.795 116.439 115.700 -0.093 0.000 2.383 118 S HA -0.103 4.368 4.470 0.001 0.000 0.227 118 S C 2.089 176.660 174.600 -0.050 0.000 1.026 118 S CA 1.241 59.407 58.200 -0.056 0.000 0.981 118 S CB -0.486 62.694 63.200 -0.034 0.000 0.818 118 S HN 0.558 nan 8.310 nan 0.000 0.472 119 A N 2.220 125.019 122.820 -0.035 0.000 1.858 119 A HA 0.064 4.384 4.320 0.001 0.000 0.216 119 A C 2.230 179.789 177.584 -0.042 0.000 1.190 119 A CA 1.548 53.585 52.037 -0.000 0.000 0.617 119 A CB -0.927 18.134 19.000 0.101 0.000 0.827 119 A HN 0.558 nan 8.150 nan 0.000 0.443 120 I N -0.157 120.416 120.570 0.006 0.000 2.163 120 I HA -0.303 3.867 4.170 0.001 0.000 0.243 120 I C 2.987 179.061 176.117 -0.073 0.000 1.085 120 I CA 1.123 62.424 61.300 0.002 0.000 1.347 120 I CB -0.342 37.659 38.000 0.003 0.000 1.044 120 I HN 0.363 nan 8.210 nan 0.000 0.408 121 A N 0.688 123.466 122.820 -0.070 0.000 1.908 121 A HA -0.232 4.089 4.320 0.001 0.000 0.218 121 A C 2.534 180.075 177.584 -0.071 0.000 1.181 121 A CA 2.105 54.107 52.037 -0.058 0.000 0.627 121 A CB -0.961 18.010 19.000 -0.049 0.000 0.818 121 A HN 0.452 nan 8.150 nan 0.000 0.445 122 A N -1.113 121.656 122.820 -0.084 0.000 1.902 122 A HA -0.105 4.216 4.320 0.001 0.000 0.217 122 A C 2.180 179.681 177.584 -0.138 0.000 1.181 122 A CA 1.979 53.963 52.037 -0.089 0.000 0.623 122 A CB -0.447 18.511 19.000 -0.070 0.000 0.818 122 A HN 0.438 nan 8.150 nan 0.000 0.443 123 M N -0.483 118.977 119.600 -0.233 0.000 2.132 123 M HA -0.072 4.409 4.480 0.001 0.000 0.263 123 M C 2.084 178.265 176.300 -0.198 0.000 1.065 123 M CA 1.727 56.827 55.300 -0.333 0.000 1.122 123 M CB -1.187 30.968 32.600 -0.742 0.000 1.365 123 M HN 0.510 nan 8.290 nan 0.000 0.411 124 K N 0.582 120.906 120.400 -0.128 0.000 2.032 124 K HA -0.214 4.107 4.320 0.001 0.000 0.209 124 K C 2.151 178.715 176.600 -0.060 0.000 1.048 124 K CA 1.591 57.843 56.287 -0.060 0.000 0.927 124 K CB -0.076 32.410 32.500 -0.023 0.000 0.712 124 K HN 0.169 nan 8.250 nan 0.000 0.441 125 K N -0.040 120.322 120.400 -0.064 0.000 2.063 125 K HA -0.140 4.181 4.320 0.001 0.000 0.208 125 K C 1.778 178.339 176.600 -0.065 0.000 1.048 125 K CA 1.414 57.669 56.287 -0.054 0.000 0.928 125 K CB -0.146 32.325 32.500 -0.048 0.000 0.713 125 K HN 0.226 nan 8.250 nan 0.000 0.442 126 A N -0.169 122.597 122.820 -0.089 0.000 2.119 126 A HA 0.121 4.442 4.320 0.001 0.000 0.217 126 A C 1.387 178.901 177.584 -0.117 0.000 1.153 126 A CA 1.186 53.162 52.037 -0.102 0.000 0.692 126 A CB -0.301 18.625 19.000 -0.124 0.000 0.799 126 A HN 0.599 nan 8.150 nan 0.000 0.458 127 G N -2.003 106.731 108.800 -0.109 0.000 2.148 127 G HA2 -0.149 3.811 3.960 0.001 0.000 0.203 127 G HA3 -0.149 3.811 3.960 0.001 0.000 0.203 127 G C 0.048 174.870 174.900 -0.130 0.000 0.993 127 G CA -0.037 44.999 45.100 -0.107 0.000 0.661 127 G HN 0.747 nan 8.290 nan 0.000 0.518 128 V N 2.978 122.808 119.914 -0.140 0.000 2.488 128 V HA 0.436 4.556 4.120 0.001 0.000 0.277 128 V C -1.131 174.975 176.094 0.020 0.000 1.046 128 V CA -1.246 60.992 62.300 -0.104 0.000 0.986 128 V CB 1.283 32.996 31.823 -0.183 0.000 0.989 128 V HN 0.265 nan 8.190 nan 0.000 0.475 129 P HA 0.238 nan 4.420 nan 0.000 0.271 129 P C -0.685 176.798 177.300 0.305 0.000 1.216 129 P CA -0.119 63.080 63.100 0.165 0.000 0.771 129 P CB 0.786 32.563 31.700 0.127 0.000 0.864 130 C N 2.024 121.495 119.300 0.286 0.000 2.771 130 C HA 0.420 4.880 4.460 0.001 0.000 0.333 130 C C 0.356 175.603 174.990 0.428 0.000 1.267 130 C CA -0.648 58.591 59.018 0.369 0.000 1.721 130 C CB 2.011 29.909 27.740 0.262 0.000 2.222 130 C HN 0.357 nan 8.230 nan 0.000 0.485 131 V N 3.180 123.319 119.914 0.375 0.000 2.521 131 V HA 0.147 4.267 4.120 0.001 0.000 0.286 131 V C -2.015 174.184 176.094 0.176 0.000 1.034 131 V CA -0.633 61.814 62.300 0.245 0.000 1.045 131 V CB 0.036 31.922 31.823 0.106 0.000 0.974 131 V HN 0.757 nan 8.190 nan 0.000 0.480 132 P HA 0.262 nan 4.420 nan 0.000 0.261 132 P C 0.349 177.691 177.300 0.071 0.000 1.173 132 P CA 0.832 63.989 63.100 0.094 0.000 0.760 132 P CB 0.388 32.123 31.700 0.058 0.000 0.783 133 G N 0.678 109.525 108.800 0.078 0.000 2.561 133 G HA2 0.321 4.281 3.960 0.001 0.000 0.310 133 G HA3 0.321 4.281 3.960 0.001 0.000 0.310 133 G C 0.702 175.646 174.900 0.074 0.000 1.292 133 G CA 0.012 45.163 45.100 0.085 0.000 0.811 133 G HN 0.302 nan 8.290 nan 0.000 0.482 134 S N -0.506 115.251 115.700 0.094 0.000 2.447 134 S HA 0.031 4.502 4.470 0.001 0.000 0.233 134 S C 0.539 175.176 174.600 0.061 0.000 1.006 134 S CA 1.378 59.622 58.200 0.073 0.000 0.957 134 S CB -0.206 63.049 63.200 0.093 0.000 0.773 134 S HN 0.684 nan 8.310 nan 0.000 0.507 135 D N 1.846 122.285 120.400 0.064 0.000 2.737 135 D HA -0.016 4.625 4.640 0.001 0.000 0.238 135 D C 0.379 176.691 176.300 0.021 0.000 1.157 135 D CA 1.529 55.548 54.000 0.032 0.000 0.694 135 D CB -1.649 39.168 40.800 0.029 0.000 1.021 135 D HN 0.941 nan 8.370 nan 0.000 0.420 136 G N -0.687 108.126 108.800 0.023 0.000 2.353 136 G HA2 0.284 4.244 3.960 0.001 0.000 0.308 136 G HA3 0.284 4.244 3.960 0.001 0.000 0.308 136 G C -3.219 171.717 174.900 0.061 0.000 1.418 136 G CA -0.845 44.269 45.100 0.022 0.000 0.966 136 G HN 0.023 nan 8.290 nan 0.000 0.638 137 P HA 0.447 nan 4.420 nan 0.000 0.274 137 P C 0.017 177.363 177.300 0.077 0.000 1.231 137 P CA -0.341 62.812 63.100 0.088 0.000 0.790 137 P CB 0.932 32.671 31.700 0.064 0.000 0.951 138 L N 1.407 122.680 121.223 0.084 0.000 2.331 138 L HA 0.404 4.745 4.340 0.001 0.000 0.278 138 L C 1.499 178.397 176.870 0.046 0.000 1.106 138 L CA -0.165 54.711 54.840 0.058 0.000 0.824 138 L CB 0.495 42.585 42.059 0.051 0.000 1.142 138 L HN 0.503 nan 8.230 nan 0.000 0.443 139 G N 0.997 109.819 108.800 0.036 0.000 2.531 139 G HA2 0.152 4.112 3.960 0.001 0.000 0.281 139 G HA3 0.152 4.112 3.960 0.001 0.000 0.281 139 G C 0.050 174.966 174.900 0.027 0.000 1.382 139 G CA -0.335 44.783 45.100 0.030 0.000 1.045 139 G HN 0.639 nan 8.290 nan 0.000 0.533 140 D N -0.852 119.562 120.400 0.023 0.000 2.339 140 D HA 0.069 4.710 4.640 0.001 0.000 0.217 140 D C 0.065 176.377 176.300 0.020 0.000 1.050 140 D CA 0.066 54.078 54.000 0.021 0.000 0.856 140 D CB 0.349 41.160 40.800 0.019 0.000 0.922 140 D HN 0.236 nan 8.370 nan 0.000 0.518 141 D N 0.732 121.144 120.400 0.020 0.000 2.358 141 D HA -0.001 4.640 4.640 0.001 0.000 0.258 141 D C 1.337 177.650 176.300 0.021 0.000 1.223 141 D CA -0.062 53.949 54.000 0.019 0.000 0.886 141 D CB 0.752 41.563 40.800 0.018 0.000 1.120 141 D HN -0.237 nan 8.370 nan 0.000 0.482 142 M N 2.498 122.111 119.600 0.021 0.000 2.200 142 M HA -0.085 4.396 4.480 0.001 0.000 0.265 142 M C 1.078 177.394 176.300 0.026 0.000 1.066 142 M CA 0.972 56.286 55.300 0.024 0.000 1.127 142 M CB -0.582 32.031 32.600 0.023 0.000 1.379 142 M HN 0.376 nan 8.290 nan 0.000 0.420 143 D N 0.727 121.141 120.400 0.023 0.000 2.123 143 D HA -0.130 4.511 4.640 0.001 0.000 0.196 143 D C 2.055 178.368 176.300 0.022 0.000 0.992 143 D CA 1.252 55.266 54.000 0.022 0.000 0.833 143 D CB -0.121 40.690 40.800 0.019 0.000 0.954 143 D HN 0.350 nan 8.370 nan 0.000 0.455 144 K N 0.068 120.480 120.400 0.020 0.000 2.031 144 K HA -0.020 4.300 4.320 0.001 0.000 0.205 144 K C 1.805 178.416 176.600 0.017 0.000 1.049 144 K CA 0.645 56.943 56.287 0.018 0.000 0.939 144 K CB 0.031 32.542 32.500 0.018 0.000 0.717 144 K HN 0.002 nan 8.250 nan 0.000 0.438 145 N N 0.982 119.694 118.700 0.021 0.000 2.149 145 N HA -0.168 4.573 4.740 0.001 0.000 0.188 145 N C 1.676 177.198 175.510 0.020 0.000 1.019 145 N CA 1.099 54.161 53.050 0.020 0.000 0.857 145 N CB -0.118 38.385 38.487 0.026 0.000 0.997 145 N HN 0.159 nan 8.380 nan 0.000 0.426 146 R N 0.435 120.955 120.500 0.034 0.000 2.115 146 R HA 0.080 4.420 4.340 0.001 0.000 0.226 146 R C 1.915 178.233 176.300 0.030 0.000 1.100 146 R CA 1.045 57.177 56.100 0.053 0.000 0.980 146 R CB -0.061 30.277 30.300 0.064 0.000 0.875 146 R HN 0.176 nan 8.270 nan 0.000 0.445 147 A N 0.728 123.559 122.820 0.018 0.000 1.930 147 A HA -0.090 4.230 4.320 0.001 0.000 0.217 147 A C 2.033 179.609 177.584 -0.013 0.000 1.175 147 A CA 0.978 53.020 52.037 0.008 0.000 0.627 147 A CB -0.334 18.673 19.000 0.012 0.000 0.815 147 A HN 0.282 nan 8.150 nan 0.000 0.443 148 I N -0.153 120.406 120.570 -0.018 0.000 2.179 148 I HA -0.282 3.888 4.170 0.001 0.000 0.242 148 I C 2.971 179.035 176.117 -0.089 0.000 1.088 148 I CA 1.106 62.386 61.300 -0.033 0.000 1.357 148 I CB -0.313 37.678 38.000 -0.015 0.000 1.051 148 I HN 0.344 nan 8.210 nan 0.000 0.409 149 A N 0.683 123.418 122.820 -0.142 0.000 1.940 149 A HA -0.235 4.086 4.320 0.001 0.000 0.219 149 A C 2.300 179.659 177.584 -0.376 0.000 1.176 149 A CA 1.727 53.549 52.037 -0.359 0.000 0.631 149 A CB -0.445 18.270 19.000 -0.475 0.000 0.814 149 A HN 0.341 nan 8.150 nan 0.000 0.446 150 K N -0.938 119.367 120.400 -0.159 0.000 2.103 150 K HA -0.094 4.227 4.320 0.001 0.000 0.204 150 K C 2.378 178.949 176.600 -0.048 0.000 1.052 150 K CA 1.224 57.477 56.287 -0.057 0.000 0.945 150 K CB -0.146 32.366 32.500 0.020 0.000 0.722 150 K HN 0.485 nan 8.250 nan 0.000 0.443 151 R N 1.283 121.755 120.500 -0.047 0.000 2.066 151 R HA -0.093 4.248 4.340 0.001 0.000 0.232 151 R C 2.127 178.406 176.300 -0.036 0.000 1.131 151 R CA 1.341 57.425 56.100 -0.027 0.000 0.955 151 R CB -0.209 30.082 30.300 -0.015 0.000 0.851 151 R HN 0.111 nan 8.270 nan 0.000 0.432 152 I N 0.106 120.636 120.570 -0.067 0.000 2.202 152 I HA -0.027 4.144 4.170 0.001 0.000 0.242 152 I C 0.890 176.963 176.117 -0.074 0.000 1.091 152 I CA 1.138 62.399 61.300 -0.066 0.000 1.368 152 I CB -0.304 37.643 38.000 -0.089 0.000 1.058 152 I HN 0.522 nan 8.210 nan 0.000 0.410 153 G N -0.101 108.621 108.800 -0.129 0.000 3.209 153 G HA2 -0.194 3.767 3.960 0.001 0.000 0.686 153 G HA3 -0.194 3.767 3.960 0.001 0.000 0.686 153 G C -0.737 174.104 174.900 -0.099 0.000 1.065 153 G CA -0.994 44.059 45.100 -0.079 0.000 0.812 153 G HN 0.029 nan 8.290 nan 0.000 0.573 154 Y N 2.494 122.807 120.300 0.021 0.000 2.379 154 Y HA 0.453 5.003 4.550 0.001 0.000 0.337 154 Y C -0.488 175.434 175.900 0.036 0.000 1.238 154 Y CA -0.464 57.651 58.100 0.024 0.000 1.405 154 Y CB 0.475 38.942 38.460 0.012 0.000 1.310 154 Y HN 0.572 nan 8.280 nan 0.000 0.569 155 P HA 0.307 nan 4.420 nan 0.000 0.277 155 P C -1.014 176.405 177.300 0.197 0.000 1.240 155 P CA -0.347 62.925 63.100 0.287 0.000 0.798 155 P CB 1.447 33.280 31.700 0.221 0.000 0.979 156 V N -0.102 119.904 119.914 0.152 0.000 3.158 156 V HA 0.722 4.843 4.120 0.001 0.000 0.315 156 V C -0.393 175.733 176.094 0.053 0.000 1.148 156 V CA -1.132 61.202 62.300 0.057 0.000 1.042 156 V CB 1.953 33.721 31.823 -0.091 0.000 1.101 156 V HN 0.574 nan 8.190 nan 0.000 0.448 157 I N 1.137 121.730 120.570 0.039 0.000 2.619 157 I HA 0.566 4.736 4.170 0.001 0.000 0.292 157 I C -1.416 174.653 176.117 -0.079 0.000 1.100 157 I CA -0.899 60.396 61.300 -0.008 0.000 1.043 157 I CB 1.876 39.939 38.000 0.105 0.000 1.239 157 I HN 0.583 nan 8.210 nan 0.000 0.420 158 I N 6.889 127.396 120.570 -0.106 0.000 2.331 158 I HA 0.434 4.605 4.170 0.001 0.000 0.292 158 I C -0.236 175.740 176.117 -0.234 0.000 0.998 158 I CA -0.475 60.730 61.300 -0.158 0.000 1.267 158 I CB 0.989 38.936 38.000 -0.087 0.000 1.386 158 I HN 0.533 nan 8.210 nan 0.000 0.476 159 K N 3.871 123.997 120.400 -0.456 0.000 2.375 159 K HA 0.756 5.077 4.320 0.001 0.000 0.249 159 K C -0.634 175.761 176.600 -0.343 0.000 0.942 159 K CA -0.829 55.162 56.287 -0.494 0.000 0.806 159 K CB 2.796 34.796 32.500 -0.834 0.000 1.227 159 K HN 0.682 nan 8.250 nan 0.000 0.430 160 A N 1.106 123.866 122.820 -0.099 0.000 2.362 160 A HA 0.119 4.439 4.320 0.001 0.000 0.276 160 A C 1.142 178.802 177.584 0.126 0.000 1.153 160 A CA -0.117 51.942 52.037 0.037 0.000 0.813 160 A CB 0.939 19.990 19.000 0.085 0.000 1.081 160 A HN 0.774 nan 8.150 nan 0.000 0.507 161 S N 2.291 118.112 115.700 0.202 0.000 2.383 161 S HA -0.057 4.413 4.470 0.001 0.000 0.227 161 S C 1.716 176.311 174.600 -0.008 0.000 1.026 161 S CA 1.857 60.161 58.200 0.174 0.000 0.981 161 S CB -0.257 63.017 63.200 0.123 0.000 0.818 161 S HN 1.050 nan 8.310 nan 0.000 0.472 162 G N -0.013 108.738 108.800 -0.082 0.000 2.985 162 G HA2 0.434 4.395 3.960 0.001 0.000 0.209 162 G HA3 0.434 4.395 3.960 0.001 0.000 0.209 162 G C 0.561 175.027 174.900 -0.723 0.000 1.165 162 G CA 0.296 45.261 45.100 -0.226 0.000 0.776 162 G HN 0.600 nan 8.290 nan 0.000 0.541 163 G N -0.900 107.426 108.800 -0.791 0.000 2.574 163 G HA2 0.579 4.540 3.960 0.001 0.000 0.248 163 G HA3 0.579 4.540 3.960 0.001 0.000 0.248 163 G C -0.147 174.459 174.900 -0.491 0.000 1.422 163 G CA -0.319 44.079 45.100 -1.171 0.000 1.051 163 G HN 0.940 nan 8.290 nan 0.000 0.560 164 G N -2.678 105.958 108.800 -0.273 0.000 1.895 164 G HA2 0.595 4.555 3.960 0.001 0.000 0.302 164 G HA3 0.595 4.555 3.960 0.001 0.000 0.302 164 G C 0.177 175.035 174.900 -0.069 0.000 1.691 164 G CA 0.812 45.833 45.100 -0.131 0.000 0.929 164 G HN 2.113 nan 8.290 nan 0.000 0.629 165 G N 0.935 109.682 108.800 -0.088 0.000 4.013 165 G HA2 0.234 4.195 3.960 0.001 0.000 0.255 165 G HA3 0.234 4.195 3.960 0.001 0.000 0.255 165 G C 1.183 175.911 174.900 -0.288 0.000 1.765 165 G CA 1.324 46.357 45.100 -0.111 0.000 1.396 165 G HN 2.088 nan 8.290 nan 0.000 0.605 166 G N 0.226 108.903 108.800 -0.204 0.000 2.709 166 G HA2 0.397 4.357 3.960 0.001 0.000 0.197 166 G HA3 0.397 4.357 3.960 0.001 0.000 0.197 166 G C 0.693 175.564 174.900 -0.049 0.000 1.111 166 G CA 0.570 45.502 45.100 -0.281 0.000 0.716 166 G HN 0.607 nan 8.290 nan 0.000 0.754 167 R N 0.433 120.968 120.500 0.059 0.000 2.643 167 R HA 0.413 4.754 4.340 0.001 0.000 0.270 167 R C 1.057 177.448 176.300 0.150 0.000 1.061 167 R CA 0.817 56.994 56.100 0.129 0.000 1.107 167 R CB 0.396 30.829 30.300 0.220 0.000 0.999 167 R HN 0.430 nan 8.270 nan 0.000 0.460 168 G N 2.416 111.291 108.800 0.124 0.000 2.298 168 G HA2 -0.280 3.680 3.960 0.001 0.000 0.287 168 G HA3 -0.280 3.680 3.960 0.001 0.000 0.287 168 G C -0.210 174.703 174.900 0.021 0.000 1.075 168 G CA 0.063 45.228 45.100 0.109 0.000 0.960 168 G HN 0.451 nan 8.290 nan 0.000 0.502 169 M N -0.812 118.786 119.600 -0.003 0.000 2.324 169 M HA 0.565 5.045 4.480 0.001 0.000 0.288 169 M C -0.047 176.236 176.300 -0.029 0.000 1.097 169 M CA -0.595 54.681 55.300 -0.040 0.000 0.928 169 M CB 2.535 35.102 32.600 -0.055 0.000 1.648 169 M HN 0.188 nan 8.290 nan 0.000 0.460 170 R N 1.620 122.089 120.500 -0.052 0.000 2.522 170 R HA 0.587 4.927 4.340 0.001 0.000 0.283 170 R C -1.463 174.776 176.300 -0.102 0.000 1.074 170 R CA -0.697 55.366 56.100 -0.061 0.000 0.925 170 R CB 2.692 32.965 30.300 -0.044 0.000 1.205 170 R HN 0.468 nan 8.270 nan 0.000 0.436 171 V N 3.939 123.749 119.914 -0.172 0.000 2.530 171 V HA 0.268 4.389 4.120 0.001 0.000 0.282 171 V C 0.067 176.063 176.094 -0.164 0.000 1.048 171 V CA -0.425 61.697 62.300 -0.297 0.000 0.997 171 V CB 1.481 32.924 31.823 -0.634 0.000 0.987 171 V HN 0.405 nan 8.190 nan 0.000 0.477 172 V N 6.246 126.114 119.914 -0.077 0.000 2.448 172 V HA 0.468 4.589 4.120 0.001 0.000 0.295 172 V C 0.561 176.717 176.094 0.103 0.000 1.025 172 V CA -0.615 61.700 62.300 0.025 0.000 0.859 172 V CB 1.602 33.499 31.823 0.124 0.000 0.988 172 V HN 0.848 nan 8.190 nan 0.000 0.431 173 R N 2.409 122.891 120.500 -0.030 0.000 2.437 173 R HA 0.502 4.842 4.340 0.001 0.000 0.257 173 R C 0.608 176.650 176.300 -0.431 0.000 0.927 173 R CA 0.238 56.286 56.100 -0.088 0.000 1.078 173 R CB 1.370 31.622 30.300 -0.080 0.000 1.161 173 R HN 0.833 nan 8.270 nan 0.000 0.529 174 G N -0.733 107.694 108.800 -0.622 0.000 2.646 174 G HA2 0.069 4.029 3.960 0.001 0.000 0.291 174 G HA3 0.069 4.029 3.960 0.001 0.000 0.291 174 G C -0.793 173.771 174.900 -0.559 0.000 1.445 174 G CA -0.568 44.041 45.100 -0.819 0.000 0.814 174 G HN -0.179 nan 8.290 nan 0.000 0.495 175 D N 0.234 120.405 120.400 -0.381 0.000 2.219 175 D HA -0.069 4.572 4.640 0.001 0.000 0.205 175 D C 2.562 178.838 176.300 -0.041 0.000 0.970 175 D CA 1.415 55.380 54.000 -0.059 0.000 0.851 175 D CB 0.081 40.886 40.800 0.008 0.000 0.943 175 D HN 0.461 nan 8.370 nan 0.000 0.488 176 A N 0.771 123.542 122.820 -0.082 0.000 1.969 176 A HA -0.153 4.167 4.320 0.001 0.000 0.218 176 A C 1.899 179.458 177.584 -0.041 0.000 1.169 176 A CA 1.231 53.236 52.037 -0.052 0.000 0.635 176 A CB -0.193 18.771 19.000 -0.061 0.000 0.810 176 A HN 0.049 nan 8.150 nan 0.000 0.445 177 E N -0.883 119.283 120.200 -0.056 0.000 2.478 177 E HA 0.097 4.447 4.350 0.001 0.000 0.194 177 E C 1.563 178.159 176.600 -0.006 0.000 1.045 177 E CA -0.022 56.356 56.400 -0.037 0.000 0.868 177 E CB -0.061 29.606 29.700 -0.056 0.000 0.885 177 E HN 0.481 nan 8.360 nan 0.000 0.505 178 L N 0.647 121.882 121.223 0.020 0.000 2.027 178 L HA -0.081 4.260 4.340 0.001 0.000 0.206 178 L C 2.026 178.916 176.870 0.034 0.000 1.074 178 L CA 1.872 56.747 54.840 0.059 0.000 0.745 178 L CB -0.727 41.402 42.059 0.116 0.000 0.898 178 L HN 0.135 nan 8.230 nan 0.000 0.433 179 A N -0.981 121.853 122.820 0.024 0.000 1.851 179 A HA -0.292 4.028 4.320 0.001 0.000 0.216 179 A C 2.201 179.791 177.584 0.010 0.000 1.195 179 A CA 2.092 54.139 52.037 0.017 0.000 0.622 179 A CB -0.729 18.279 19.000 0.012 0.000 0.831 179 A HN 0.644 nan 8.150 nan 0.000 0.444 180 Q N -0.400 119.403 119.800 0.004 0.000 2.167 180 Q HA -0.074 4.266 4.340 0.001 0.000 0.202 180 Q C 2.405 178.404 176.000 -0.001 0.000 0.970 180 Q CA 1.413 57.216 55.803 -0.000 0.000 0.855 180 Q CB -0.127 28.607 28.738 -0.006 0.000 0.911 180 Q HN 0.657 nan 8.270 nan 0.000 0.438 181 S N 0.798 116.497 115.700 -0.002 0.000 2.368 181 S HA -0.093 4.378 4.470 0.001 0.000 0.224 181 S C 1.922 176.519 174.600 -0.004 0.000 1.029 181 S CA 0.888 59.084 58.200 -0.006 0.000 0.988 181 S CB -0.116 63.079 63.200 -0.007 0.000 0.838 181 S HN 0.292 nan 8.310 nan 0.000 0.462 182 I N 2.016 122.589 120.570 0.004 0.000 2.252 182 I HA -0.178 3.992 4.170 0.001 0.000 0.245 182 I C 2.683 178.805 176.117 0.009 0.000 1.102 182 I CA 1.327 62.630 61.300 0.005 0.000 1.385 182 I CB -0.484 37.524 38.000 0.013 0.000 1.064 182 I HN 0.358 nan 8.210 nan 0.000 0.414 183 S N 0.888 116.594 115.700 0.009 0.000 2.368 183 S HA -0.151 4.319 4.470 0.001 0.000 0.224 183 S C 2.055 176.661 174.600 0.009 0.000 1.029 183 S CA 0.948 59.155 58.200 0.010 0.000 0.988 183 S CB -0.516 62.689 63.200 0.008 0.000 0.838 183 S HN 0.335 nan 8.310 nan 0.000 0.462 184 M N 1.342 120.944 119.600 0.004 0.000 2.132 184 M HA -0.064 4.416 4.480 0.001 0.000 0.263 184 M C 2.428 178.732 176.300 0.007 0.000 1.065 184 M CA 1.714 57.015 55.300 0.003 0.000 1.122 184 M CB -0.986 31.613 32.600 -0.002 0.000 1.365 184 M HN 0.394 nan 8.290 nan 0.000 0.411 185 T N -0.251 114.307 114.554 0.006 0.000 2.821 185 T HA -0.152 4.198 4.350 0.001 0.000 0.267 185 T C 1.749 176.468 174.700 0.031 0.000 1.046 185 T CA 1.289 63.396 62.100 0.013 0.000 1.139 185 T CB -0.319 68.545 68.868 -0.007 0.000 0.871 185 T HN 0.381 nan 8.240 nan 0.000 0.454 186 R N 1.039 121.556 120.500 0.028 0.000 2.081 186 R HA -0.003 4.338 4.340 0.001 0.000 0.235 186 R C 2.566 178.890 176.300 0.040 0.000 1.131 186 R CA 1.406 57.530 56.100 0.040 0.000 0.960 186 R CB -0.437 29.883 30.300 0.032 0.000 0.856 186 R HN 0.357 nan 8.270 nan 0.000 0.436 187 A N 0.878 123.712 122.820 0.024 0.000 1.898 187 A HA -0.144 4.176 4.320 0.001 0.000 0.216 187 A C 1.866 179.454 177.584 0.006 0.000 1.181 187 A CA 1.549 53.594 52.037 0.014 0.000 0.620 187 A CB -0.373 18.631 19.000 0.006 0.000 0.819 187 A HN 0.516 nan 8.150 nan 0.000 0.442 188 E N -0.282 119.922 120.200 0.006 0.000 2.208 188 E HA 0.008 4.358 4.350 0.001 0.000 0.193 188 E C 2.169 178.757 176.600 -0.020 0.000 0.988 188 E CA 0.639 57.029 56.400 -0.017 0.000 0.828 188 E CB -0.198 29.498 29.700 -0.008 0.000 0.763 188 E HN 0.625 nan 8.360 nan 0.000 0.478 189 A N 1.696 124.557 122.820 0.068 0.000 1.897 189 A HA -0.183 4.137 4.320 0.001 0.000 0.215 189 A C 2.059 179.726 177.584 0.138 0.000 1.181 189 A CA 1.310 53.469 52.037 0.203 0.000 0.620 189 A CB -0.245 18.897 19.000 0.236 0.000 0.821 189 A HN 0.032 nan 8.150 nan 0.000 0.443 190 K N -0.270 120.174 120.400 0.072 0.000 2.057 190 K HA -0.062 4.259 4.320 0.001 0.000 0.206 190 K C 2.103 178.699 176.600 -0.007 0.000 1.050 190 K CA 1.158 57.474 56.287 0.048 0.000 0.935 190 K CB -0.298 32.224 32.500 0.036 0.000 0.715 190 K HN 0.354 nan 8.250 nan 0.000 0.439 191 A N 0.538 123.331 122.820 -0.045 0.000 2.015 191 A HA -0.051 4.269 4.320 0.001 0.000 0.219 191 A C 2.107 179.596 177.584 -0.159 0.000 1.163 191 A CA 1.788 53.778 52.037 -0.079 0.000 0.646 191 A CB -0.415 18.543 19.000 -0.071 0.000 0.806 191 A HN 0.479 nan 8.150 nan 0.000 0.448 192 A N -1.566 121.072 122.820 -0.303 0.000 1.901 192 A HA 0.406 4.727 4.320 0.001 0.000 0.210 192 A C 1.438 178.656 177.584 -0.611 0.000 1.208 192 A CA 0.876 52.540 52.037 -0.621 0.000 0.644 192 A CB -0.187 18.127 19.000 -1.143 0.000 0.863 192 A HN 0.467 nan 8.150 nan 0.000 0.454 193 F N -0.098 119.864 119.950 0.019 0.000 2.661 193 F HA 0.237 4.764 4.527 0.001 0.000 0.306 193 F C 1.088 176.901 175.800 0.023 0.000 1.094 193 F CA 0.481 58.494 58.000 0.022 0.000 1.254 193 F CB 0.403 39.418 39.000 0.026 0.000 1.040 193 F HN 0.088 nan 8.300 nan 0.000 0.562 194 S N 0.796 116.567 115.700 0.117 0.000 3.476 194 S HA -0.272 4.199 4.470 0.001 0.000 0.309 194 S C -0.224 174.438 174.600 0.103 0.000 1.222 194 S CA 0.934 59.186 58.200 0.086 0.000 0.922 194 S CB -1.791 61.452 63.200 0.072 0.000 1.023 194 S HN 0.575 nan 8.310 nan 0.000 0.591 195 N N 1.248 120.036 118.700 0.147 0.000 2.533 195 N HA 0.314 5.054 4.740 0.001 0.000 0.289 195 N C -0.340 175.251 175.510 0.134 0.000 1.103 195 N CA -0.367 52.760 53.050 0.127 0.000 0.877 195 N CB 1.390 39.954 38.487 0.128 0.000 1.419 195 N HN 0.170 nan 8.380 nan 0.000 0.517 196 D N 3.035 123.491 120.400 0.093 0.000 2.340 196 D HA 0.000 4.641 4.640 0.001 0.000 0.220 196 D C 0.431 176.781 176.300 0.083 0.000 1.039 196 D CA -0.127 53.924 54.000 0.084 0.000 0.866 196 D CB 0.034 40.869 40.800 0.058 0.000 0.913 196 D HN 0.478 nan 8.370 nan 0.000 0.523 197 M N 1.841 121.494 119.600 0.088 0.000 2.238 197 M HA 0.170 4.650 4.480 0.001 0.000 0.350 197 M C -0.582 175.789 176.300 0.117 0.000 1.321 197 M CA -0.133 55.221 55.300 0.091 0.000 1.097 197 M CB 0.864 33.513 32.600 0.082 0.000 1.713 197 M HN -0.030 nan 8.290 nan 0.000 0.455 198 V N 3.414 123.399 119.914 0.119 0.000 3.040 198 V HA 0.795 4.916 4.120 0.001 0.000 0.312 198 V C -1.427 174.783 176.094 0.193 0.000 1.115 198 V CA -0.864 61.507 62.300 0.119 0.000 0.998 198 V CB 1.642 33.483 31.823 0.030 0.000 1.042 198 V HN 0.924 nan 8.190 nan 0.000 0.433 199 Y N 0.686 120.995 120.300 0.017 0.000 2.669 199 Y HA 0.879 5.430 4.550 0.001 0.000 0.335 199 Y C -0.689 175.221 175.900 0.016 0.000 1.116 199 Y CA -1.838 56.272 58.100 0.016 0.000 1.081 199 Y CB 2.150 40.621 38.460 0.019 0.000 1.297 199 Y HN 0.892 nan 8.280 nan 0.000 0.484 200 M N 1.884 121.545 119.600 0.102 0.000 2.395 200 M HA 0.497 4.978 4.480 0.001 0.000 0.307 200 M C -1.901 174.452 176.300 0.088 0.000 1.091 200 M CA -0.295 55.006 55.300 0.002 0.000 0.919 200 M CB 2.343 34.945 32.600 0.004 0.000 1.662 200 M HN 0.967 nan 8.290 nan 0.000 0.440 201 E N 2.471 122.693 120.200 0.037 0.000 2.416 201 E HA 0.414 4.765 4.350 0.001 0.000 0.273 201 E C -1.578 175.038 176.600 0.026 0.000 0.935 201 E CA -1.257 55.183 56.400 0.067 0.000 0.784 201 E CB 2.071 31.845 29.700 0.122 0.000 1.301 201 E HN 0.545 nan 8.360 nan 0.000 0.454 202 K N 1.051 121.454 120.400 0.005 0.000 2.489 202 K HA -0.032 4.288 4.320 0.001 0.000 0.278 202 K C -1.201 175.416 176.600 0.029 0.000 1.000 202 K CA -0.066 56.215 56.287 -0.010 0.000 1.012 202 K CB 0.301 32.762 32.500 -0.064 0.000 0.903 202 K HN 0.546 nan 8.250 nan 0.000 0.485 203 Y N 5.790 126.059 120.300 -0.051 0.000 2.383 203 Y HA 0.231 4.782 4.550 0.001 0.000 0.344 203 Y C -0.801 175.077 175.900 -0.037 0.000 0.986 203 Y CA -0.634 57.449 58.100 -0.028 0.000 1.175 203 Y CB 0.459 38.923 38.460 0.008 0.000 1.152 203 Y HN 0.413 nan 8.280 nan 0.000 0.511 204 L N 6.889 127.808 121.223 -0.506 0.000 2.290 204 L HA 0.196 4.537 4.340 0.001 0.000 0.284 204 L C 1.182 177.687 176.870 -0.609 0.000 1.078 204 L CA -0.359 54.217 54.840 -0.440 0.000 0.815 204 L CB 1.042 42.895 42.059 -0.343 0.000 1.162 204 L HN 0.689 nan 8.230 nan 0.000 0.435 205 E N 2.286 122.302 120.200 -0.306 0.000 2.046 205 E HA -0.094 4.256 4.350 0.001 0.000 0.190 205 E C 0.130 176.741 176.600 0.019 0.000 0.982 205 E CA 1.337 57.650 56.400 -0.145 0.000 0.800 205 E CB 0.120 29.822 29.700 0.003 0.000 0.756 205 E HN 0.644 nan 8.360 nan 0.000 0.449 206 N N 0.839 119.548 118.700 0.015 0.000 2.703 206 N HA 0.148 4.889 4.740 0.001 0.000 0.283 206 N C -2.694 172.828 175.510 0.020 0.000 1.851 206 N CA -0.698 52.414 53.050 0.104 0.000 0.826 206 N CB 1.750 40.303 38.487 0.109 0.000 1.239 206 N HN 0.044 nan 8.380 nan 0.000 0.495 207 P HA 0.274 nan 4.420 nan 0.000 0.278 207 P C -0.541 176.783 177.300 0.039 0.000 1.258 207 P CA -0.352 62.740 63.100 -0.013 0.000 0.811 207 P CB 1.544 33.226 31.700 -0.030 0.000 1.063 208 R N -0.471 120.101 120.500 0.120 0.000 2.643 208 R HA 0.380 4.721 4.340 0.001 0.000 0.272 208 R C 0.127 176.561 176.300 0.224 0.000 0.995 208 R CA -0.651 55.558 56.100 0.181 0.000 1.032 208 R CB 0.498 30.945 30.300 0.246 0.000 1.126 208 R HN 0.610 nan 8.270 nan 0.000 0.505 209 H N 1.114 120.261 119.070 0.127 0.000 2.705 209 H HA 0.346 4.903 4.556 0.001 0.000 0.291 209 H C -1.182 174.248 175.328 0.169 0.000 1.085 209 H CA -0.455 55.678 56.048 0.142 0.000 1.357 209 H CB 0.583 30.398 29.762 0.089 0.000 1.419 209 H HN 0.113 nan 8.280 nan 0.000 0.462 210 V N 6.472 126.469 119.914 0.138 0.000 2.531 210 V HA 0.255 4.376 4.120 0.001 0.000 0.301 210 V C -0.519 175.718 176.094 0.238 0.000 1.034 210 V CA -0.801 61.628 62.300 0.216 0.000 0.865 210 V CB 1.524 33.462 31.823 0.192 0.000 0.995 210 V HN 0.917 nan 8.190 nan 0.000 0.424 211 E N 5.187 125.534 120.200 0.246 0.000 2.288 211 E HA 0.649 4.999 4.350 0.001 0.000 0.268 211 E C -1.656 175.092 176.600 0.246 0.000 0.885 211 E CA -0.959 55.605 56.400 0.273 0.000 0.767 211 E CB 2.670 32.516 29.700 0.243 0.000 1.220 211 E HN 0.381 nan 8.360 nan 0.000 0.427 212 I N 2.343 123.097 120.570 0.306 0.000 2.339 212 I HA 0.173 4.343 4.170 0.001 0.000 0.290 212 I C -0.045 176.227 176.117 0.260 0.000 0.994 212 I CA -0.702 60.740 61.300 0.236 0.000 1.191 212 I CB 1.076 39.192 38.000 0.193 0.000 1.343 212 I HN 0.712 nan 8.210 nan 0.000 0.458 213 Q N 6.070 125.989 119.800 0.197 0.000 2.286 213 Q HA 0.482 4.823 4.340 0.001 0.000 0.257 213 Q C -0.817 175.305 176.000 0.203 0.000 0.941 213 Q CA -0.203 55.705 55.803 0.176 0.000 0.912 213 Q CB 1.241 30.062 28.738 0.137 0.000 1.192 213 Q HN 0.548 nan 8.270 nan 0.000 0.410 214 V N 1.768 121.798 119.914 0.194 0.000 3.001 214 V HA 0.752 4.873 4.120 0.001 0.000 0.314 214 V C -0.990 175.201 176.094 0.161 0.000 1.099 214 V CA -1.059 61.361 62.300 0.199 0.000 0.989 214 V CB 1.972 33.959 31.823 0.273 0.000 1.040 214 V HN 0.752 nan 8.190 nan 0.000 0.434 215 L N 2.254 123.565 121.223 0.147 0.000 2.410 215 L HA 0.938 5.278 4.340 0.001 0.000 0.270 215 L C -0.212 176.745 176.870 0.146 0.000 0.983 215 L CA -0.622 54.299 54.840 0.135 0.000 0.822 215 L CB 2.052 44.155 42.059 0.073 0.000 1.285 215 L HN 1.099 nan 8.230 nan 0.000 0.409 216 A N 0.971 123.896 122.820 0.174 0.000 2.422 216 A HA 0.560 4.880 4.320 0.001 0.000 0.302 216 A C -0.411 177.215 177.584 0.070 0.000 1.041 216 A CA -0.585 51.542 52.037 0.149 0.000 0.708 216 A CB 1.306 20.463 19.000 0.262 0.000 1.257 216 A HN 0.796 nan 8.150 nan 0.000 0.414 217 D N 0.795 121.218 120.400 0.039 0.000 2.349 217 D HA 0.260 4.901 4.640 0.001 0.000 0.215 217 D C 1.175 177.469 176.300 -0.010 0.000 1.016 217 D CA 0.917 54.920 54.000 0.005 0.000 0.870 217 D CB 0.014 40.816 40.800 0.003 0.000 0.917 217 D HN 1.649 nan 8.370 nan 0.000 0.524 218 G N 0.380 109.181 108.800 0.001 0.000 2.155 218 G HA2 -0.358 3.602 3.960 0.001 0.000 0.257 218 G HA3 -0.358 3.602 3.960 0.001 0.000 0.257 218 G C 0.649 175.547 174.900 -0.003 0.000 0.983 218 G CA 0.461 45.555 45.100 -0.011 0.000 0.676 218 G HN 0.485 nan 8.290 nan 0.000 0.528 219 Q N -1.107 118.695 119.800 0.004 0.000 2.155 219 Q HA 0.452 4.792 4.340 0.001 0.000 0.220 219 Q C 1.675 177.679 176.000 0.007 0.000 0.819 219 Q CA 0.407 56.212 55.803 0.002 0.000 1.032 219 Q CB 1.065 29.802 28.738 -0.002 0.000 1.151 219 Q HN 1.375 nan 8.270 nan 0.000 0.487 220 G N 1.160 109.970 108.800 0.016 0.000 2.195 220 G HA2 -0.183 3.777 3.960 0.001 0.000 0.224 220 G HA3 -0.183 3.777 3.960 0.001 0.000 0.224 220 G C -0.120 174.792 174.900 0.021 0.000 0.990 220 G CA -0.516 44.595 45.100 0.018 0.000 0.639 220 G HN 0.267 nan 8.290 nan 0.000 0.514 221 N N 1.056 119.771 118.700 0.023 0.000 2.430 221 N HA 0.705 5.445 4.740 0.001 0.000 0.292 221 N C -0.204 175.333 175.510 0.044 0.000 1.051 221 N CA 0.604 53.668 53.050 0.024 0.000 0.917 221 N CB 1.931 40.425 38.487 0.012 0.000 1.164 221 N HN 0.981 nan 8.380 nan 0.000 0.484 222 A N 1.828 124.675 122.820 0.046 0.000 2.517 222 A HA 0.677 4.998 4.320 0.001 0.000 0.297 222 A C -0.609 177.010 177.584 0.059 0.000 1.050 222 A CA -0.772 51.309 52.037 0.074 0.000 0.694 222 A CB 0.980 20.040 19.000 0.100 0.000 1.277 222 A HN 0.681 nan 8.150 nan 0.000 0.400 223 I N -0.675 119.930 120.570 0.058 0.000 2.892 223 I HA 0.884 5.054 4.170 0.001 0.000 0.306 223 I C -0.844 175.320 176.117 0.078 0.000 1.078 223 I CA -1.241 60.064 61.300 0.008 0.000 1.032 223 I CB 2.107 40.057 38.000 -0.084 0.000 1.229 223 I HN 0.750 nan 8.210 nan 0.000 0.435 224 Y N 2.528 122.821 120.300 -0.011 0.000 2.409 224 Y HA 0.794 5.345 4.550 0.001 0.000 0.339 224 Y C -1.167 174.729 175.900 -0.007 0.000 1.033 224 Y CA -1.525 56.574 58.100 -0.002 0.000 1.094 224 Y CB 1.390 39.827 38.460 -0.038 0.000 1.210 224 Y HN 0.462 nan 8.280 nan 0.000 0.456 225 L N 4.807 126.094 121.223 0.107 0.000 2.825 225 L HA 0.684 5.025 4.340 0.001 0.000 0.236 225 L C 0.579 177.512 176.870 0.106 0.000 1.301 225 L CA 0.275 55.135 54.840 0.033 0.000 0.977 225 L CB -0.181 41.898 42.059 0.033 0.000 1.300 225 L HN 1.146 nan 8.230 nan 0.000 0.486 226 A N 0.510 123.444 122.820 0.190 0.000 6.219 226 A HA -0.110 4.210 4.320 0.001 0.000 0.263 226 A C 0.329 177.984 177.584 0.119 0.000 2.100 226 A CA 1.172 53.306 52.037 0.163 0.000 0.709 226 A CB -0.617 18.436 19.000 0.089 0.000 1.081 226 A HN 0.611 nan 8.150 nan 0.000 0.372 227 E N 0.424 120.668 120.200 0.072 0.000 2.378 227 E HA 0.811 5.161 4.350 0.001 0.000 0.265 227 E C -0.637 176.001 176.600 0.064 0.000 0.932 227 E CA -0.893 55.549 56.400 0.070 0.000 0.795 227 E CB 1.364 31.087 29.700 0.039 0.000 1.296 227 E HN 0.788 nan 8.360 nan 0.000 0.438 228 R N 0.458 121.016 120.500 0.096 0.000 2.686 228 R HA 0.350 4.691 4.340 0.001 0.000 0.283 228 R C -1.015 175.368 176.300 0.138 0.000 0.978 228 R CA -0.845 55.310 56.100 0.092 0.000 0.897 228 R CB 1.696 32.055 30.300 0.099 0.000 1.192 228 R HN 0.538 nan 8.270 nan 0.000 0.457 229 D N 1.711 122.183 120.400 0.119 0.000 2.232 229 D HA 0.211 4.851 4.640 0.001 0.000 0.242 229 D C -0.485 175.909 176.300 0.156 0.000 1.093 229 D CA -0.300 53.794 54.000 0.158 0.000 0.845 229 D CB 1.277 42.153 40.800 0.126 0.000 1.124 229 D HN 0.583 nan 8.370 nan 0.000 0.467 230 C N 2.913 122.320 119.300 0.178 0.000 2.887 230 C HA 0.209 4.670 4.460 0.001 0.000 0.240 230 C C 1.767 176.748 174.990 -0.016 0.000 1.872 230 C CA -0.543 58.487 59.018 0.019 0.000 1.626 230 C CB -1.062 26.586 27.740 -0.154 0.000 3.115 230 C HN 0.519 nan 8.230 nan 0.000 0.488 231 S N 0.922 116.681 115.700 0.099 0.000 2.453 231 S HA -0.027 4.444 4.470 0.001 0.000 0.231 231 S C 0.863 175.501 174.600 0.063 0.000 1.005 231 S CA 0.750 59.011 58.200 0.101 0.000 0.949 231 S CB -0.162 63.120 63.200 0.136 0.000 0.774 231 S HN 0.651 nan 8.310 nan 0.000 0.510 232 M N 2.946 122.585 119.600 0.065 0.000 2.341 232 M HA 0.182 4.663 4.480 0.001 0.000 0.336 232 M C -0.438 175.852 176.300 -0.015 0.000 1.489 232 M CA 0.562 55.893 55.300 0.051 0.000 1.278 232 M CB -0.395 32.229 32.600 0.040 0.000 1.657 232 M HN 0.123 nan 8.290 nan 0.000 0.455 233 Q N 2.849 122.632 119.800 -0.028 0.000 2.456 233 Q HA 0.642 4.982 4.340 0.001 0.000 0.283 233 Q C -1.040 174.892 176.000 -0.113 0.000 1.084 233 Q CA -1.084 54.672 55.803 -0.078 0.000 0.801 233 Q CB 3.043 31.733 28.738 -0.081 0.000 1.434 233 Q HN 0.590 nan 8.270 nan 0.000 0.419 234 R N 1.011 121.416 120.500 -0.158 0.000 2.538 234 R HA 0.338 4.678 4.340 0.001 0.000 0.292 234 R C -0.865 175.309 176.300 -0.211 0.000 1.008 234 R CA -0.339 55.630 56.100 -0.218 0.000 0.896 234 R CB 0.900 31.000 30.300 -0.335 0.000 1.187 234 R HN 0.729 nan 8.270 nan 0.000 0.440 235 R N 4.328 124.690 120.500 -0.231 0.000 3.405 235 R HA -0.207 4.133 4.340 0.001 0.000 0.258 235 R C -0.555 175.688 176.300 -0.096 0.000 1.030 235 R CA 1.117 57.102 56.100 -0.193 0.000 0.691 235 R CB -1.852 28.389 30.300 -0.098 0.000 1.093 235 R HN 0.948 nan 8.270 nan 0.000 0.448 236 H N -2.967 116.080 119.070 -0.037 0.000 3.179 236 H HA -0.166 4.390 4.556 0.001 0.000 0.250 236 H C -0.130 175.158 175.328 -0.066 0.000 1.142 236 H CA 1.631 57.657 56.048 -0.036 0.000 1.165 236 H CB -0.788 28.969 29.762 -0.007 0.000 1.253 236 H HN 0.514 nan 8.280 nan 0.000 0.325 237 Q N 1.301 121.089 119.800 -0.020 0.000 2.271 237 Q HA 0.359 4.700 4.340 0.001 0.000 0.258 237 Q C 0.386 176.331 176.000 -0.093 0.000 0.936 237 Q CA -0.603 55.166 55.803 -0.057 0.000 0.909 237 Q CB 2.054 30.752 28.738 -0.066 0.000 1.253 237 Q HN 0.252 nan 8.270 nan 0.000 0.440 238 K N 0.996 121.331 120.400 -0.109 0.000 2.401 238 K HA 0.126 4.446 4.320 0.001 0.000 0.278 238 K C 0.570 177.116 176.600 -0.090 0.000 1.018 238 K CA -0.137 56.079 56.287 -0.118 0.000 0.981 238 K CB 0.929 33.339 32.500 -0.149 0.000 0.933 238 K HN 0.307 nan 8.250 nan 0.000 0.477 239 V N 1.925 121.795 119.914 -0.073 0.000 3.090 239 V HA 0.046 4.167 4.120 0.001 0.000 0.237 239 V C 0.051 176.120 176.094 -0.043 0.000 1.209 239 V CA 0.157 62.423 62.300 -0.056 0.000 1.209 239 V CB 1.102 32.891 31.823 -0.058 0.000 0.971 239 V HN 0.448 nan 8.190 nan 0.000 0.477 240 V N 0.940 120.830 119.914 -0.041 0.000 2.709 240 V HA 0.616 4.737 4.120 0.001 0.000 0.308 240 V C -1.168 174.939 176.094 0.021 0.000 1.062 240 V CA -0.587 61.700 62.300 -0.021 0.000 0.901 240 V CB 2.151 33.928 31.823 -0.076 0.000 1.003 240 V HN 0.447 nan 8.190 nan 0.000 0.425 241 E N 2.362 122.587 120.200 0.042 0.000 2.312 241 E HA 0.753 5.103 4.350 0.001 0.000 0.267 241 E C -1.061 175.596 176.600 0.096 0.000 0.894 241 E CA -0.859 55.577 56.400 0.060 0.000 0.773 241 E CB 2.526 32.237 29.700 0.020 0.000 1.241 241 E HN 0.868 nan 8.360 nan 0.000 0.432 242 E N 0.069 120.327 120.200 0.097 0.000 2.413 242 E HA 0.859 5.209 4.350 0.001 0.000 0.277 242 E C -1.562 175.012 176.600 -0.043 0.000 0.958 242 E CA -1.508 54.930 56.400 0.064 0.000 0.779 242 E CB 1.892 31.711 29.700 0.199 0.000 1.278 242 E HN 0.455 nan 8.360 nan 0.000 0.456 243 A N 1.791 124.472 122.820 -0.231 0.000 2.488 243 A HA 0.667 4.988 4.320 0.001 0.000 0.298 243 A C -2.794 174.444 177.584 -0.577 0.000 1.044 243 A CA -1.529 50.357 52.037 -0.251 0.000 0.693 243 A CB 1.554 20.499 19.000 -0.093 0.000 1.272 243 A HN 0.519 nan 8.150 nan 0.000 0.402 244 P HA 0.372 nan 4.420 nan 0.000 0.275 244 P C -0.021 177.243 177.300 -0.061 0.000 1.270 244 P CA -0.047 62.981 63.100 -0.119 0.000 0.791 244 P CB 0.639 32.329 31.700 -0.017 0.000 1.089 245 A N 0.902 123.721 122.820 -0.002 0.000 2.362 245 A HA 0.447 4.767 4.320 0.001 0.000 0.276 245 A C -2.138 175.461 177.584 0.026 0.000 1.153 245 A CA -1.457 50.592 52.037 0.019 0.000 0.813 245 A CB -1.309 17.676 19.000 -0.026 0.000 1.081 245 A HN 0.353 nan 8.150 nan 0.000 0.507 246 P HA 0.231 nan 4.420 nan 0.000 0.265 246 P C 1.180 178.471 177.300 -0.014 0.000 1.187 246 P CA 1.815 64.921 63.100 0.011 0.000 0.766 246 P CB 0.697 32.374 31.700 -0.038 0.000 0.820 247 G N 2.466 111.254 108.800 -0.019 0.000 2.253 247 G HA2 -0.219 3.742 3.960 0.001 0.000 0.251 247 G HA3 -0.219 3.742 3.960 0.001 0.000 0.251 247 G C 0.187 175.081 174.900 -0.009 0.000 0.998 247 G CA -0.415 44.684 45.100 -0.002 0.000 0.621 247 G HN 0.488 nan 8.290 nan 0.000 0.524 248 I N 3.469 124.008 120.570 -0.051 0.000 2.436 248 I HA 0.268 4.438 4.170 0.001 0.000 0.289 248 I C 1.488 177.602 176.117 -0.005 0.000 1.083 248 I CA 0.411 61.673 61.300 -0.064 0.000 1.372 248 I CB -0.131 37.809 38.000 -0.101 0.000 1.408 248 I HN 0.377 nan 8.210 nan 0.000 0.516 249 T N 4.850 119.413 114.554 0.014 0.000 2.882 249 T HA 0.279 4.629 4.350 0.001 0.000 0.287 249 T C -1.710 173.011 174.700 0.034 0.000 1.014 249 T CA -1.525 60.589 62.100 0.024 0.000 1.049 249 T CB 1.090 69.972 68.868 0.024 0.000 1.001 249 T HN 0.304 nan 8.240 nan 0.000 0.525 250 P HA -0.158 nan 4.420 nan 0.000 0.216 250 P C 1.732 179.066 177.300 0.057 0.000 1.150 250 P CA 1.066 64.199 63.100 0.054 0.000 0.837 250 P CB 0.042 31.774 31.700 0.053 0.000 0.786 251 E N -0.338 119.890 120.200 0.046 0.000 2.106 251 E HA -0.146 4.205 4.350 0.001 0.000 0.192 251 E C 1.945 178.581 176.600 0.060 0.000 0.984 251 E CA 1.028 57.458 56.400 0.048 0.000 0.806 251 E CB -1.367 28.352 29.700 0.032 0.000 0.750 251 E HN 0.182 nan 8.360 nan 0.000 0.458 252 L N 1.624 122.880 121.223 0.055 0.000 2.109 252 L HA -0.023 4.317 4.340 0.001 0.000 0.207 252 L C 2.844 179.753 176.870 0.065 0.000 1.086 252 L CA 1.601 56.496 54.840 0.093 0.000 0.760 252 L CB -0.626 41.504 42.059 0.117 0.000 0.910 252 L HN 0.062 nan 8.230 nan 0.000 0.437 253 R N -0.051 120.461 120.500 0.021 0.000 2.083 253 R HA -0.213 4.127 4.340 0.001 0.000 0.237 253 R C 2.434 178.648 176.300 -0.143 0.000 1.137 253 R CA 1.958 58.031 56.100 -0.045 0.000 0.951 253 R CB -0.225 30.099 30.300 0.040 0.000 0.851 253 R HN 0.523 nan 8.270 nan 0.000 0.434 254 R N -1.328 119.149 120.500 -0.039 0.000 2.115 254 R HA -0.144 4.196 4.340 0.001 0.000 0.226 254 R C 2.137 178.316 176.300 -0.201 0.000 1.100 254 R CA 1.317 57.365 56.100 -0.086 0.000 0.980 254 R CB -1.008 29.346 30.300 0.090 0.000 0.875 254 R HN 0.296 nan 8.270 nan 0.000 0.445 255 Y N 1.597 121.769 120.300 -0.214 0.000 2.030 255 Y HA -0.271 4.279 4.550 0.001 0.000 0.274 255 Y C 2.136 177.814 175.900 -0.371 0.000 1.153 255 Y CA 1.991 59.958 58.100 -0.223 0.000 1.115 255 Y CB -0.225 38.153 38.460 -0.136 0.000 0.969 255 Y HN 0.082 nan 8.280 nan 0.000 0.488 256 I N 0.664 120.990 120.570 -0.407 0.000 2.439 256 I HA -0.064 4.106 4.170 0.001 0.000 0.251 256 I C 2.425 178.080 176.117 -0.771 0.000 1.139 256 I CA 1.668 62.523 61.300 -0.743 0.000 1.438 256 I CB -1.016 36.201 38.000 -1.305 0.000 1.085 256 I HN 0.367 nan 8.210 nan 0.000 0.427 257 G N -0.358 107.903 108.800 -0.898 0.000 2.421 257 G HA2 -0.242 3.718 3.960 0.001 0.000 0.216 257 G HA3 -0.242 3.718 3.960 0.001 0.000 0.216 257 G C 1.566 175.819 174.900 -1.080 0.000 1.171 257 G CA 0.772 45.028 45.100 -1.407 0.000 0.775 257 G HN 0.469 nan 8.290 nan 0.000 0.543 258 E N -0.002 119.716 120.200 -0.803 0.000 2.110 258 E HA -0.091 4.259 4.350 0.001 0.000 0.193 258 E C 2.738 179.130 176.600 -0.348 0.000 0.988 258 E CA 0.553 56.740 56.400 -0.354 0.000 0.804 258 E CB -0.067 29.492 29.700 -0.235 0.000 0.745 258 E HN 0.324 nan 8.360 nan 0.000 0.458 259 R N -0.119 120.096 120.500 -0.475 0.000 2.092 259 R HA -0.067 4.273 4.340 0.001 0.000 0.231 259 R C 2.429 178.467 176.300 -0.438 0.000 1.119 259 R CA 1.187 57.027 56.100 -0.433 0.000 0.970 259 R CB -0.249 29.750 30.300 -0.503 0.000 0.864 259 R HN 0.226 nan 8.270 nan 0.000 0.440 260 C N -0.185 118.795 119.300 -0.534 0.000 2.446 260 C HA -0.017 4.443 4.460 0.001 0.000 0.277 260 C C 2.861 177.589 174.990 -0.436 0.000 1.275 260 C CA 0.732 59.294 59.018 -0.760 0.000 1.727 260 C CB -0.855 26.445 27.740 -0.733 0.000 2.010 260 C HN 0.597 nan 8.230 nan 0.000 0.486 261 A N 0.474 123.173 122.820 -0.202 0.000 1.902 261 A HA -0.228 4.092 4.320 0.001 0.000 0.217 261 A C 2.239 179.791 177.584 -0.054 0.000 1.181 261 A CA 2.003 54.024 52.037 -0.028 0.000 0.623 261 A CB -0.602 18.448 19.000 0.082 0.000 0.818 261 A HN 0.675 nan 8.150 nan 0.000 0.443 262 K N -0.271 120.060 120.400 -0.115 0.000 2.032 262 K HA -0.136 4.185 4.320 0.001 0.000 0.209 262 K C 2.180 178.724 176.600 -0.094 0.000 1.048 262 K CA 1.320 57.548 56.287 -0.099 0.000 0.927 262 K CB -0.369 32.053 32.500 -0.130 0.000 0.712 262 K HN 0.359 nan 8.250 nan 0.000 0.441 263 A N 0.983 123.704 122.820 -0.164 0.000 1.940 263 A HA -0.212 4.109 4.320 0.001 0.000 0.219 263 A C 2.466 180.054 177.584 0.008 0.000 1.176 263 A CA 1.831 53.791 52.037 -0.128 0.000 0.631 263 A CB -1.100 17.738 19.000 -0.270 0.000 0.814 263 A HN 0.592 nan 8.150 nan 0.000 0.446 264 C N -1.357 117.977 119.300 0.058 0.000 2.413 264 C HA -0.094 4.366 4.460 0.001 0.000 0.276 264 C C 2.746 177.817 174.990 0.135 0.000 1.236 264 C CA 1.168 60.287 59.018 0.167 0.000 1.735 264 C CB -1.325 26.530 27.740 0.193 0.000 2.031 264 C HN 0.483 nan 8.230 nan 0.000 0.474 265 V N 1.143 121.099 119.914 0.070 0.000 2.343 265 V HA -0.199 3.921 4.120 0.001 0.000 0.247 265 V C 2.065 178.181 176.094 0.038 0.000 1.051 265 V CA 2.296 64.625 62.300 0.049 0.000 1.036 265 V CB -0.730 31.105 31.823 0.020 0.000 0.654 265 V HN 0.465 nan 8.190 nan 0.000 0.451 266 D N 0.384 120.796 120.400 0.019 0.000 2.144 266 D HA -0.105 4.535 4.640 0.001 0.000 0.199 266 D C 1.818 178.133 176.300 0.025 0.000 0.984 266 D CA 1.690 55.694 54.000 0.007 0.000 0.834 266 D CB -0.182 40.606 40.800 -0.021 0.000 0.955 266 D HN 0.669 nan 8.370 nan 0.000 0.465 267 I N -3.943 116.661 120.570 0.057 0.000 3.883 267 I HA 0.341 4.512 4.170 0.001 0.000 0.326 267 I C 1.073 177.249 176.117 0.097 0.000 1.283 267 I CA 0.321 61.666 61.300 0.075 0.000 1.161 267 I CB 0.030 38.089 38.000 0.098 0.000 1.012 267 I HN -0.020 nan 8.210 nan 0.000 0.421 268 G N 1.547 110.403 108.800 0.093 0.000 2.221 268 G HA2 -0.362 3.598 3.960 0.001 0.000 0.265 268 G HA3 -0.362 3.598 3.960 0.001 0.000 0.265 268 G C 0.018 174.975 174.900 0.096 0.000 1.041 268 G CA 0.270 45.415 45.100 0.074 0.000 0.807 268 G HN 0.671 nan 8.290 nan 0.000 0.502 269 Y N 0.395 120.715 120.300 0.034 0.000 2.597 269 Y HA 0.427 4.978 4.550 0.001 0.000 0.336 269 Y C 0.970 176.889 175.900 0.031 0.000 1.216 269 Y CA 0.282 58.404 58.100 0.037 0.000 1.463 269 Y CB 0.508 39.007 38.460 0.064 0.000 1.303 269 Y HN 0.351 nan 8.280 nan 0.000 0.576 270 R N 4.054 124.174 120.500 -0.634 0.000 2.502 270 R HA 0.550 4.891 4.340 0.001 0.000 0.300 270 R C -0.390 175.607 176.300 -0.505 0.000 0.984 270 R CA 0.268 56.141 56.100 -0.377 0.000 0.882 270 R CB 1.051 31.212 30.300 -0.232 0.000 1.180 270 R HN 1.017 nan 8.270 nan 0.000 0.444 271 G N 2.004 110.689 108.800 -0.192 0.000 2.500 271 G HA2 0.029 3.989 3.960 0.001 0.000 0.209 271 G HA3 0.029 3.989 3.960 0.001 0.000 0.209 271 G C -1.084 173.883 174.900 0.111 0.000 1.283 271 G CA -0.452 44.593 45.100 -0.092 0.000 0.960 271 G HN 0.826 nan 8.290 nan 0.000 0.528 272 A N -0.456 122.426 122.820 0.103 0.000 2.340 272 A HA 0.923 5.243 4.320 0.001 0.000 0.268 272 A C 0.856 178.614 177.584 0.291 0.000 1.100 272 A CA 1.206 53.343 52.037 0.167 0.000 0.803 272 A CB 0.881 19.925 19.000 0.075 0.000 1.043 272 A HN 2.561 nan 8.150 nan 0.000 0.488 273 G N -0.403 108.515 108.800 0.197 0.000 2.677 273 G HA2 0.590 4.551 3.960 0.001 0.000 0.291 273 G HA3 0.590 4.551 3.960 0.001 0.000 0.291 273 G C -1.134 173.703 174.900 -0.106 0.000 1.435 273 G CA -0.360 44.737 45.100 -0.005 0.000 0.826 273 G HN 0.794 nan 8.290 nan 0.000 0.491 274 T N 0.634 115.063 114.554 -0.208 0.000 2.881 274 T HA 0.516 4.866 4.350 0.001 0.000 0.290 274 T C -1.235 173.297 174.700 -0.280 0.000 1.000 274 T CA -0.192 61.843 62.100 -0.108 0.000 0.978 274 T CB 1.071 69.946 68.868 0.011 0.000 0.997 274 T HN 0.292 nan 8.240 nan 0.000 0.443 275 F N 2.339 122.302 119.950 0.023 0.000 2.391 275 F HA 0.345 4.872 4.527 0.001 0.000 0.359 275 F C 1.077 176.808 175.800 -0.116 0.000 1.122 275 F CA -0.789 57.202 58.000 -0.014 0.000 1.120 275 F CB 0.805 39.853 39.000 0.081 0.000 1.142 275 F HN 0.424 nan 8.300 nan 0.000 0.483 276 E N 3.905 123.983 120.200 -0.202 0.000 2.197 276 E HA 0.430 4.780 4.350 0.001 0.000 0.281 276 E C -1.176 175.089 176.600 -0.558 0.000 0.995 276 E CA -0.459 55.770 56.400 -0.284 0.000 0.808 276 E CB 1.335 30.896 29.700 -0.233 0.000 1.093 276 E HN 0.343 nan 8.360 nan 0.000 0.394 277 F N 1.496 121.376 119.950 -0.117 0.000 2.561 277 F HA 0.392 4.919 4.527 0.001 0.000 0.321 277 F C -0.059 175.742 175.800 0.003 0.000 1.065 277 F CA -0.980 57.055 58.000 0.058 0.000 0.934 277 F CB 1.062 40.269 39.000 0.346 0.000 1.215 277 F HN 0.171 nan 8.300 nan 0.000 0.471 278 L N 2.392 123.800 121.223 0.309 0.000 2.312 278 L HA 0.376 4.717 4.340 0.001 0.000 0.281 278 L C -1.019 176.097 176.870 0.410 0.000 1.070 278 L CA -0.441 54.557 54.840 0.264 0.000 0.805 278 L CB 1.070 43.222 42.059 0.156 0.000 1.174 278 L HN 0.538 nan 8.230 nan 0.000 0.434 279 F N 3.398 123.403 119.950 0.092 0.000 2.460 279 F HA 0.488 5.015 4.527 0.001 0.000 0.341 279 F C -0.346 175.426 175.800 -0.047 0.000 1.130 279 F CA -0.215 57.726 58.000 -0.098 0.000 0.962 279 F CB 1.143 39.968 39.000 -0.291 0.000 1.171 279 F HN 0.478 nan 8.300 nan 0.000 0.436 280 E N 4.742 124.609 120.200 -0.554 0.000 2.321 280 E HA 0.243 4.593 4.350 0.001 0.000 0.278 280 E C -0.856 175.465 176.600 -0.465 0.000 0.902 280 E CA -0.697 55.452 56.400 -0.418 0.000 0.758 280 E CB 1.120 30.737 29.700 -0.138 0.000 1.213 280 E HN 0.712 nan 8.360 nan 0.000 0.426 281 N N 2.469 120.924 118.700 -0.407 0.000 2.714 281 N HA -0.229 4.511 4.740 0.001 0.000 0.252 281 N C 0.514 175.799 175.510 -0.374 0.000 1.014 281 N CA 1.563 54.438 53.050 -0.292 0.000 0.735 281 N CB -1.397 37.001 38.487 -0.147 0.000 0.924 281 N HN 0.970 nan 8.380 nan 0.000 0.540 282 G N -1.386 107.021 108.800 -0.654 0.000 2.166 282 G HA2 -0.325 3.635 3.960 0.001 0.000 0.260 282 G HA3 -0.325 3.635 3.960 0.001 0.000 0.260 282 G C -0.272 174.378 174.900 -0.416 0.000 0.986 282 G CA 0.796 45.619 45.100 -0.462 0.000 0.683 282 G HN 0.506 nan 8.290 nan 0.000 0.527 283 E N -0.829 118.996 120.200 -0.624 0.000 2.238 283 E HA 0.634 4.984 4.350 0.001 0.000 0.267 283 E C -0.652 175.642 176.600 -0.510 0.000 0.887 283 E CA -0.787 55.348 56.400 -0.442 0.000 0.769 283 E CB 1.338 30.806 29.700 -0.387 0.000 1.187 283 E HN 0.119 nan 8.360 nan 0.000 0.416 284 F N 1.478 121.272 119.950 -0.260 0.000 2.404 284 F HA 0.352 4.880 4.527 0.001 0.000 0.339 284 F C -0.275 175.355 175.800 -0.284 0.000 1.105 284 F CA -0.519 57.412 58.000 -0.115 0.000 1.087 284 F CB 0.872 39.709 39.000 -0.272 0.000 1.143 284 F HN 0.293 nan 8.300 nan 0.000 0.491 285 Y N 3.156 123.793 120.300 0.561 0.000 2.322 285 Y HA 0.259 4.809 4.550 0.001 0.000 0.324 285 Y C -0.424 175.786 175.900 0.517 0.000 1.027 285 Y CA -1.403 56.978 58.100 0.467 0.000 1.179 285 Y CB 1.035 39.637 38.460 0.236 0.000 1.136 285 Y HN 0.481 nan 8.280 nan 0.000 0.449 286 F N 5.546 125.752 119.950 0.427 0.000 2.578 286 F HA 0.196 4.724 4.527 0.001 0.000 0.376 286 F C 0.809 176.596 175.800 -0.021 0.000 1.085 286 F CA 0.123 58.056 58.000 -0.113 0.000 1.260 286 F CB 0.628 39.539 39.000 -0.149 0.000 1.095 286 F HN 0.570 nan 8.300 nan 0.000 0.573 287 I N 0.922 120.905 120.570 -0.979 0.000 3.812 287 I HA 0.350 4.520 4.170 0.001 0.000 0.292 287 I C -0.564 174.929 176.117 -1.039 0.000 1.206 287 I CA -0.081 60.803 61.300 -0.693 0.000 1.370 287 I CB 0.119 37.944 38.000 -0.291 0.000 1.328 287 I HN 0.576 nan 8.210 nan 0.000 0.453 288 E N 1.511 120.884 120.200 -1.378 0.000 2.401 288 E HA 0.439 4.789 4.350 0.001 0.000 0.280 288 E C -1.470 174.853 176.600 -0.462 0.000 1.039 288 E CA -0.914 55.020 56.400 -0.777 0.000 0.814 288 E CB 2.147 31.662 29.700 -0.309 0.000 1.275 288 E HN 0.171 nan 8.360 nan 0.000 0.448 289 M N 2.338 121.906 119.600 -0.054 0.000 2.294 289 M HA 0.397 4.877 4.480 0.001 0.000 0.335 289 M C -1.542 174.676 176.300 -0.136 0.000 1.079 289 M CA -0.691 54.526 55.300 -0.138 0.000 0.982 289 M CB 1.404 33.866 32.600 -0.229 0.000 1.651 289 M HN 0.462 nan 8.290 nan 0.000 0.437 290 N N 3.530 122.140 118.700 -0.150 0.000 2.426 290 N HA 0.198 4.938 4.740 0.001 0.000 0.257 290 N C -0.447 175.041 175.510 -0.038 0.000 1.002 290 N CA -0.116 52.898 53.050 -0.059 0.000 0.942 290 N CB 1.353 39.825 38.487 -0.025 0.000 1.112 290 N HN 0.626 nan 8.380 nan 0.000 0.499 291 T N 0.205 114.791 114.554 0.054 0.000 3.389 291 T HA 0.390 4.741 4.350 0.001 0.000 0.238 291 T C 0.375 175.197 174.700 0.203 0.000 1.178 291 T CA -0.678 61.538 62.100 0.193 0.000 1.117 291 T CB -0.448 68.561 68.868 0.236 0.000 1.177 291 T HN 0.718 nan 8.240 nan 0.000 0.653 292 R N -0.976 119.620 120.500 0.160 0.000 2.780 292 R HA 0.579 4.919 4.340 0.001 0.000 0.280 292 R C -1.584 174.787 176.300 0.117 0.000 1.016 292 R CA -1.211 54.969 56.100 0.133 0.000 0.854 292 R CB 0.183 30.575 30.300 0.153 0.000 1.293 292 R HN 0.122 nan 8.270 nan 0.000 0.483 293 I N 1.050 121.690 120.570 0.118 0.000 2.779 293 I HA 0.105 4.276 4.170 0.001 0.000 0.285 293 I C -0.302 175.921 176.117 0.177 0.000 1.134 293 I CA 0.464 61.828 61.300 0.105 0.000 1.398 293 I CB 0.917 38.936 38.000 0.031 0.000 1.404 293 I HN 0.521 nan 8.210 nan 0.000 0.587 294 Q N 3.631 123.530 119.800 0.166 0.000 2.351 294 Q HA 0.344 4.684 4.340 0.001 0.000 0.273 294 Q C 0.928 176.993 176.000 0.108 0.000 1.077 294 Q CA -0.908 54.946 55.803 0.084 0.000 0.843 294 Q CB 1.981 30.738 28.738 0.032 0.000 1.367 294 Q HN 0.528 nan 8.270 nan 0.000 0.449 295 V N 1.324 121.044 119.914 -0.323 0.000 2.250 295 V HA -0.320 3.801 4.120 0.001 0.000 0.253 295 V C 1.867 177.920 176.094 -0.068 0.000 1.065 295 V CA 2.488 64.595 62.300 -0.321 0.000 1.039 295 V CB -0.566 30.976 31.823 -0.467 0.000 0.647 295 V HN 0.879 nan 8.190 nan 0.000 0.446 296 E N 0.844 121.007 120.200 -0.061 0.000 2.463 296 E HA -0.170 4.180 4.350 0.001 0.000 0.191 296 E C 1.751 178.332 176.600 -0.032 0.000 1.083 296 E CA 0.608 56.974 56.400 -0.057 0.000 0.872 296 E CB -0.823 28.858 29.700 -0.032 0.000 0.966 296 E HN 0.930 nan 8.360 nan 0.000 0.491 297 H N 1.076 120.157 119.070 0.020 0.000 2.426 297 H HA -0.006 4.551 4.556 0.001 0.000 0.298 297 H C -0.956 174.391 175.328 0.032 0.000 1.107 297 H CA 1.134 57.205 56.048 0.037 0.000 1.298 297 H CB -1.705 28.090 29.762 0.055 0.000 1.377 297 H HN 0.175 nan 8.280 nan 0.000 0.519 298 P HA -0.139 nan 4.420 nan 0.000 0.218 298 P C 2.259 179.517 177.300 -0.070 0.000 1.148 298 P CA 1.889 64.836 63.100 -0.255 0.000 0.822 298 P CB -0.255 31.267 31.700 -0.297 0.000 0.784 299 V N -3.813 116.075 119.914 -0.043 0.000 2.515 299 V HA -0.203 3.917 4.120 0.001 0.000 0.250 299 V C 1.898 178.003 176.094 0.019 0.000 1.058 299 V CA 2.447 64.749 62.300 0.003 0.000 1.064 299 V CB -2.231 29.593 31.823 0.002 0.000 0.675 299 V HN 0.059 nan 8.190 nan 0.000 0.461 300 T N 0.459 115.031 114.554 0.031 0.000 2.857 300 T HA -0.096 4.255 4.350 0.001 0.000 0.266 300 T C 1.804 176.530 174.700 0.044 0.000 1.048 300 T CA 1.836 63.964 62.100 0.047 0.000 1.139 300 T CB -0.289 68.624 68.868 0.075 0.000 0.874 300 T HN 0.691 nan 8.240 nan 0.000 0.455 301 E N 0.874 121.103 120.200 0.048 0.000 2.077 301 E HA -0.094 4.256 4.350 0.001 0.000 0.193 301 E C 2.218 178.813 176.600 -0.009 0.000 0.989 301 E CA 0.933 57.354 56.400 0.035 0.000 0.800 301 E CB -0.157 29.578 29.700 0.059 0.000 0.746 301 E HN 0.354 nan 8.360 nan 0.000 0.452 302 M N 0.468 120.058 119.600 -0.016 0.000 2.117 302 M HA -0.106 4.375 4.480 0.001 0.000 0.262 302 M C 2.569 178.811 176.300 -0.095 0.000 1.065 302 M CA 1.328 56.577 55.300 -0.085 0.000 1.114 302 M CB -0.880 31.730 32.600 0.017 0.000 1.361 302 M HN 0.228 nan 8.290 nan 0.000 0.408 303 I N -2.558 118.040 120.570 0.048 0.000 3.603 303 I HA 0.022 4.192 4.170 0.001 0.000 0.297 303 I C 1.761 177.917 176.117 0.064 0.000 1.269 303 I CA 1.135 62.506 61.300 0.118 0.000 1.361 303 I CB -0.481 37.587 38.000 0.113 0.000 1.063 303 I HN 0.229 nan 8.210 nan 0.000 0.448 304 T N -3.514 111.055 114.554 0.025 0.000 2.971 304 T HA 0.430 4.781 4.350 0.001 0.000 0.252 304 T C 1.674 176.376 174.700 0.004 0.000 1.022 304 T CA 0.512 62.623 62.100 0.018 0.000 0.980 304 T CB 0.463 69.335 68.868 0.006 0.000 1.044 304 T HN 0.573 nan 8.240 nan 0.000 0.501 305 G N 1.201 109.990 108.800 -0.017 0.000 2.184 305 G HA2 -0.246 3.714 3.960 0.001 0.000 0.264 305 G HA3 -0.246 3.714 3.960 0.001 0.000 0.264 305 G C 0.100 174.996 174.900 -0.006 0.000 0.975 305 G CA 0.128 45.215 45.100 -0.022 0.000 0.642 305 G HN 0.761 nan 8.290 nan 0.000 0.536 306 V N 1.640 121.555 119.914 0.003 0.000 2.530 306 V HA 0.384 4.504 4.120 0.001 0.000 0.282 306 V C 0.337 176.447 176.094 0.027 0.000 1.048 306 V CA -0.413 61.893 62.300 0.010 0.000 0.997 306 V CB 1.765 33.592 31.823 0.007 0.000 0.987 306 V HN 0.329 nan 8.190 nan 0.000 0.477 307 D N 4.479 124.894 120.400 0.025 0.000 2.422 307 D HA 0.195 4.836 4.640 0.001 0.000 0.227 307 D C 0.938 177.259 176.300 0.034 0.000 1.190 307 D CA -0.037 53.986 54.000 0.037 0.000 0.905 307 D CB 1.104 41.920 40.800 0.026 0.000 1.034 307 D HN 0.465 nan 8.370 nan 0.000 0.507 308 L N 3.758 125.012 121.223 0.052 0.000 2.141 308 L HA -0.161 4.179 4.340 0.001 0.000 0.209 308 L C 2.099 178.957 176.870 -0.019 0.000 1.094 308 L CA 0.468 55.321 54.840 0.022 0.000 0.763 308 L CB -0.127 41.954 42.059 0.037 0.000 0.908 308 L HN 0.503 nan 8.230 nan 0.000 0.437 309 I N 0.079 120.625 120.570 -0.040 0.000 2.202 309 I HA -0.239 3.931 4.170 0.001 0.000 0.242 309 I C 2.428 178.547 176.117 0.005 0.000 1.091 309 I CA 1.498 62.778 61.300 -0.033 0.000 1.368 309 I CB -0.996 36.966 38.000 -0.064 0.000 1.058 309 I HN 0.258 nan 8.210 nan 0.000 0.410 310 K N 0.545 120.948 120.400 0.005 0.000 2.063 310 K HA -0.182 4.139 4.320 0.001 0.000 0.208 310 K C 1.962 178.563 176.600 0.002 0.000 1.048 310 K CA 1.120 57.410 56.287 0.006 0.000 0.928 310 K CB -0.033 32.472 32.500 0.007 0.000 0.713 310 K HN 0.264 nan 8.250 nan 0.000 0.442 311 E N 1.040 121.241 120.200 0.002 0.000 2.106 311 E HA -0.187 4.164 4.350 0.001 0.000 0.192 311 E C 2.030 178.624 176.600 -0.011 0.000 0.984 311 E CA 1.113 57.512 56.400 -0.001 0.000 0.806 311 E CB -0.103 29.600 29.700 0.005 0.000 0.750 311 E HN 0.396 nan 8.360 nan 0.000 0.458 312 Q N 0.182 119.973 119.800 -0.015 0.000 2.096 312 Q HA -0.115 4.226 4.340 0.001 0.000 0.204 312 Q C 2.430 178.392 176.000 -0.063 0.000 0.982 312 Q CA 1.035 56.810 55.803 -0.048 0.000 0.850 312 Q CB -0.132 28.579 28.738 -0.046 0.000 0.901 312 Q HN 0.278 nan 8.270 nan 0.000 0.422 313 L N -0.216 120.992 121.223 -0.025 0.000 2.072 313 L HA -0.148 4.193 4.340 0.001 0.000 0.205 313 L C 2.476 179.331 176.870 -0.025 0.000 1.079 313 L CA 0.999 55.827 54.840 -0.021 0.000 0.752 313 L CB -0.280 41.784 42.059 0.008 0.000 0.906 313 L HN 0.126 nan 8.230 nan 0.000 0.436 314 R N 0.144 120.634 120.500 -0.018 0.000 2.073 314 R HA -0.121 4.220 4.340 0.001 0.000 0.234 314 R C 2.296 178.582 176.300 -0.023 0.000 1.134 314 R CA 1.372 57.463 56.100 -0.016 0.000 0.952 314 R CB -0.417 29.877 30.300 -0.010 0.000 0.850 314 R HN 0.279 nan 8.270 nan 0.000 0.433 315 I N 0.666 121.218 120.570 -0.030 0.000 2.163 315 I HA -0.285 3.886 4.170 0.001 0.000 0.243 315 I C 2.576 178.664 176.117 -0.048 0.000 1.085 315 I CA 1.371 62.649 61.300 -0.037 0.000 1.347 315 I CB -0.382 37.593 38.000 -0.042 0.000 1.044 315 I HN 0.213 nan 8.210 nan 0.000 0.408 316 A N 0.550 123.331 122.820 -0.065 0.000 1.972 316 A HA -0.102 4.218 4.320 0.001 0.000 0.219 316 A C 2.342 179.902 177.584 -0.041 0.000 1.169 316 A CA 1.648 53.643 52.037 -0.070 0.000 0.635 316 A CB -0.704 18.233 19.000 -0.104 0.000 0.810 316 A HN 0.441 nan 8.150 nan 0.000 0.446 317 A N -1.756 121.046 122.820 -0.031 0.000 2.235 317 A HA 0.397 4.717 4.320 0.001 0.000 0.208 317 A C 1.761 179.334 177.584 -0.018 0.000 1.172 317 A CA 1.210 53.235 52.037 -0.019 0.000 0.786 317 A CB -1.021 17.971 19.000 -0.014 0.000 0.804 317 A HN 1.880 nan 8.150 nan 0.000 0.479 318 G N -1.409 107.378 108.800 -0.022 0.000 2.157 318 G HA2 -0.240 3.721 3.960 0.001 0.000 0.248 318 G HA3 -0.240 3.721 3.960 0.001 0.000 0.248 318 G C 0.009 174.900 174.900 -0.016 0.000 0.979 318 G CA 0.189 45.278 45.100 -0.019 0.000 0.650 318 G HN 0.626 nan 8.290 nan 0.000 0.529 319 Q N 1.516 121.307 119.800 -0.015 0.000 2.288 319 Q HA 0.379 4.720 4.340 0.001 0.000 0.258 319 Q C -1.961 174.032 176.000 -0.011 0.000 0.957 319 Q CA -1.556 54.240 55.803 -0.012 0.000 0.919 319 Q CB 1.434 30.166 28.738 -0.011 0.000 1.185 319 Q HN 0.328 nan 8.270 nan 0.000 0.408 320 P HA -0.020 nan 4.420 nan 0.000 0.272 320 P C -0.371 176.926 177.300 -0.006 0.000 1.240 320 P CA -0.156 62.940 63.100 -0.006 0.000 0.791 320 P CB 0.744 32.441 31.700 -0.006 0.000 0.978 321 L N 1.415 122.636 121.223 -0.003 0.000 2.559 321 L HA -0.049 4.291 4.340 0.001 0.000 0.274 321 L C 1.909 178.774 176.870 -0.009 0.000 1.205 321 L CA 0.344 55.182 54.840 -0.005 0.000 0.907 321 L CB 0.009 42.067 42.059 -0.002 0.000 1.153 321 L HN 0.534 nan 8.230 nan 0.000 0.490 322 S N 3.325 119.019 115.700 -0.011 0.000 2.486 322 S HA 0.169 4.639 4.470 0.001 0.000 0.220 322 S C 0.601 175.190 174.600 -0.018 0.000 1.011 322 S CA -0.267 57.926 58.200 -0.012 0.000 0.921 322 S CB 0.033 63.227 63.200 -0.009 0.000 0.785 322 S HN 0.462 nan 8.310 nan 0.000 0.517 323 I N 2.577 123.133 120.570 -0.024 0.000 2.352 323 I HA 0.333 4.503 4.170 0.001 0.000 0.290 323 I C -0.156 175.930 176.117 -0.052 0.000 1.036 323 I CA -0.591 60.685 61.300 -0.040 0.000 1.336 323 I CB 0.956 38.929 38.000 -0.046 0.000 1.407 323 I HN -0.036 nan 8.210 nan 0.000 0.497 324 K N 3.912 124.276 120.400 -0.061 0.000 2.087 324 K HA 0.199 4.519 4.320 0.001 0.000 0.255 324 K C 0.620 177.147 176.600 -0.121 0.000 0.988 324 K CA -0.510 55.735 56.287 -0.071 0.000 0.915 324 K CB 0.825 33.294 32.500 -0.051 0.000 1.043 324 K HN 0.328 nan 8.250 nan 0.000 0.457 325 Q N 1.876 121.595 119.800 -0.134 0.000 2.096 325 Q HA -0.237 4.104 4.340 0.001 0.000 0.204 325 Q C 1.269 177.124 176.000 -0.241 0.000 0.982 325 Q CA 2.084 57.755 55.803 -0.220 0.000 0.850 325 Q CB -0.040 28.588 28.738 -0.183 0.000 0.901 325 Q HN 0.735 nan 8.270 nan 0.000 0.422 326 E N -0.373 119.735 120.200 -0.154 0.000 2.267 326 E HA -0.234 4.116 4.350 0.001 0.000 0.197 326 E C 1.124 177.589 176.600 -0.225 0.000 0.998 326 E CA 1.458 57.779 56.400 -0.131 0.000 0.830 326 E CB -0.256 29.420 29.700 -0.041 0.000 0.751 326 E HN 0.552 nan 8.360 nan 0.000 0.491 327 E N 0.835 120.899 120.200 -0.227 0.000 2.478 327 E HA 0.070 4.420 4.350 0.001 0.000 0.194 327 E C -0.227 176.112 176.600 -0.435 0.000 1.045 327 E CA -0.054 56.213 56.400 -0.222 0.000 0.868 327 E CB 0.795 30.444 29.700 -0.085 0.000 0.885 327 E HN 0.039 nan 8.360 nan 0.000 0.505 328 V N 1.993 121.587 119.914 -0.533 0.000 2.385 328 V HA 0.157 4.278 4.120 0.001 0.000 0.269 328 V C -0.634 175.099 176.094 -0.602 0.000 1.043 328 V CA -0.267 61.769 62.300 -0.440 0.000 0.906 328 V CB 0.403 32.023 31.823 -0.339 0.000 0.995 328 V HN 0.183 nan 8.190 nan 0.000 0.467 329 H N 1.901 120.948 119.070 -0.038 0.000 2.679 329 H HA 0.548 5.104 4.556 0.001 0.000 0.360 329 H C -0.630 174.701 175.328 0.007 0.000 1.105 329 H CA -0.852 55.189 56.048 -0.013 0.000 1.196 329 H CB 1.933 31.695 29.762 -0.001 0.000 1.636 329 H HN 0.426 nan 8.280 nan 0.000 0.531 330 V N 3.419 123.415 119.914 0.135 0.000 2.488 330 V HA 0.268 4.389 4.120 0.001 0.000 0.277 330 V C 0.235 176.401 176.094 0.119 0.000 1.046 330 V CA -0.032 62.330 62.300 0.104 0.000 0.986 330 V CB 0.678 32.550 31.823 0.082 0.000 0.989 330 V HN 0.697 nan 8.190 nan 0.000 0.475 331 R N 3.421 124.001 120.500 0.134 0.000 2.533 331 R HA 0.600 4.940 4.340 0.001 0.000 0.288 331 R C 0.277 176.722 176.300 0.242 0.000 1.039 331 R CA 0.488 56.681 56.100 0.154 0.000 0.909 331 R CB 1.725 32.113 30.300 0.146 0.000 1.195 331 R HN 1.057 nan 8.270 nan 0.000 0.438 332 G N 2.196 111.090 108.800 0.157 0.000 2.598 332 G HA2 -0.308 3.653 3.960 0.001 0.000 0.244 332 G HA3 -0.308 3.653 3.960 0.001 0.000 0.244 332 G C -1.165 173.762 174.900 0.044 0.000 1.302 332 G CA 0.314 45.427 45.100 0.022 0.000 0.903 332 G HN 0.877 nan 8.290 nan 0.000 0.575 333 H N -0.932 117.978 119.070 -0.266 0.000 3.038 333 H HA 0.685 5.242 4.556 0.001 0.000 0.362 333 H C -0.156 175.107 175.328 -0.109 0.000 1.167 333 H CA 0.439 56.411 56.048 -0.127 0.000 1.197 333 H CB 1.538 31.210 29.762 -0.150 0.000 1.840 333 H HN 1.493 nan 8.280 nan 0.000 0.540 334 A N 3.361 126.148 122.820 -0.056 0.000 2.449 334 A HA 0.682 5.003 4.320 0.001 0.000 0.302 334 A C -1.479 176.163 177.584 0.096 0.000 1.048 334 A CA -0.583 51.513 52.037 0.098 0.000 0.708 334 A CB 1.456 20.546 19.000 0.150 0.000 1.274 334 A HN 0.412 nan 8.150 nan 0.000 0.410 335 V N 1.362 121.368 119.914 0.155 0.000 2.604 335 V HA 0.569 4.689 4.120 0.001 0.000 0.305 335 V C -0.149 176.015 176.094 0.117 0.000 1.043 335 V CA -0.532 61.870 62.300 0.169 0.000 0.888 335 V CB 1.688 33.658 31.823 0.245 0.000 0.995 335 V HN 0.978 nan 8.190 nan 0.000 0.429 336 E N 2.736 122.989 120.200 0.088 0.000 2.176 336 E HA 0.489 4.839 4.350 0.001 0.000 0.267 336 E C -1.572 175.056 176.600 0.046 0.000 0.893 336 E CA -0.456 55.977 56.400 0.056 0.000 0.761 336 E CB 1.622 31.329 29.700 0.013 0.000 1.133 336 E HN 0.747 nan 8.360 nan 0.000 0.409 337 C N 5.015 124.349 119.300 0.055 0.000 2.264 337 C HA 0.434 4.894 4.460 0.001 0.000 0.324 337 C C 0.177 175.198 174.990 0.052 0.000 1.267 337 C CA -0.708 58.336 59.018 0.044 0.000 1.618 337 C CB -0.050 27.727 27.740 0.061 0.000 2.278 337 C HN 0.737 nan 8.230 nan 0.000 0.499 338 R N 3.098 123.612 120.500 0.024 0.000 2.489 338 R HA 0.325 4.665 4.340 0.001 0.000 0.287 338 R C -0.358 175.980 176.300 0.063 0.000 1.053 338 R CA 0.004 56.118 56.100 0.023 0.000 1.036 338 R CB 0.364 30.661 30.300 -0.005 0.000 0.966 338 R HN 0.539 nan 8.270 nan 0.000 0.432 339 I N 3.518 124.139 120.570 0.086 0.000 2.312 339 I HA 0.221 4.392 4.170 0.001 0.000 0.290 339 I C -0.375 175.807 176.117 0.108 0.000 1.008 339 I CA -0.701 60.679 61.300 0.134 0.000 1.226 339 I CB 0.936 39.082 38.000 0.244 0.000 1.371 339 I HN 0.534 nan 8.210 nan 0.000 0.468 340 N N 3.877 122.641 118.700 0.107 0.000 2.269 340 N HA 0.590 5.331 4.740 0.001 0.000 0.304 340 N C -0.221 175.351 175.510 0.103 0.000 1.072 340 N CA -0.564 52.546 53.050 0.100 0.000 0.802 340 N CB 2.072 40.615 38.487 0.093 0.000 1.348 340 N HN 0.652 nan 8.380 nan 0.000 0.484 341 A N 1.932 124.809 122.820 0.095 0.000 2.807 341 A HA 0.369 4.689 4.320 0.001 0.000 0.307 341 A C -0.271 177.356 177.584 0.072 0.000 1.532 341 A CA -0.026 52.058 52.037 0.078 0.000 1.215 341 A CB -0.758 18.284 19.000 0.070 0.000 1.127 341 A HN 0.741 nan 8.150 nan 0.000 0.543 342 E N 1.361 121.606 120.200 0.076 0.000 2.401 342 E HA 0.203 4.553 4.350 0.001 0.000 0.280 342 E C -1.671 174.952 176.600 0.038 0.000 1.039 342 E CA -0.967 55.481 56.400 0.080 0.000 0.814 342 E CB 0.687 30.481 29.700 0.157 0.000 1.275 342 E HN 0.290 nan 8.360 nan 0.000 0.448 343 D N 2.209 122.598 120.400 -0.018 0.000 2.455 343 D HA 0.033 4.673 4.640 0.001 0.000 0.241 343 D C -1.279 174.879 176.300 -0.236 0.000 1.138 343 D CA -1.446 52.489 54.000 -0.109 0.000 0.877 343 D CB 1.257 41.975 40.800 -0.136 0.000 1.187 343 D HN 0.225 nan 8.370 nan 0.000 0.451 344 P HA -0.038 nan 4.420 nan 0.000 0.233 344 P C 0.416 177.411 177.300 -0.508 0.000 1.167 344 P CA 0.672 63.630 63.100 -0.235 0.000 0.770 344 P CB 0.577 32.222 31.700 -0.091 0.000 0.837 345 N N -0.911 117.456 118.700 -0.555 0.000 2.545 345 N HA -0.011 4.729 4.740 0.001 0.000 0.190 345 N C 1.707 176.780 175.510 -0.729 0.000 1.043 345 N CA 1.605 54.324 53.050 -0.551 0.000 0.879 345 N CB -0.405 37.929 38.487 -0.254 0.000 1.210 345 N HN 0.212 nan 8.380 nan 0.000 0.437 346 T N -2.081 112.136 114.554 -0.561 0.000 3.037 346 T HA 0.122 4.472 4.350 0.001 0.000 0.252 346 T C 0.447 175.039 174.700 -0.180 0.000 1.073 346 T CA -0.012 61.910 62.100 -0.296 0.000 1.091 346 T CB -0.276 68.516 68.868 -0.126 0.000 0.935 346 T HN 0.101 nan 8.240 nan 0.000 0.488 347 F N -0.844 119.103 119.950 -0.005 0.000 3.006 347 F HA -0.140 4.388 4.527 0.001 0.000 0.289 347 F C 0.274 176.072 175.800 -0.003 0.000 0.772 347 F CA -0.461 57.537 58.000 -0.003 0.000 1.162 347 F CB -2.569 36.428 39.000 -0.004 0.000 1.382 347 F HN 0.319 nan 8.300 nan 0.000 0.406 348 L N 3.374 124.636 121.223 0.066 0.000 2.513 348 L HA 0.324 4.664 4.340 0.001 0.000 0.272 348 L C -1.731 175.166 176.870 0.043 0.000 1.187 348 L CA -1.164 53.702 54.840 0.044 0.000 0.895 348 L CB 0.085 42.146 42.059 0.004 0.000 1.147 348 L HN -0.270 nan 8.230 nan 0.000 0.483 349 P HA 0.029 nan 4.420 nan 0.000 0.267 349 P C -1.018 176.287 177.300 0.009 0.000 1.200 349 P CA 0.038 63.156 63.100 0.031 0.000 0.772 349 P CB 0.666 32.376 31.700 0.016 0.000 0.855 350 S N 2.546 118.253 115.700 0.012 0.000 2.060 350 S HA 0.351 4.821 4.470 0.001 0.000 0.156 350 S C -2.469 172.124 174.600 -0.011 0.000 1.690 350 S CA -1.673 56.526 58.200 -0.002 0.000 1.238 350 S CB -0.304 62.900 63.200 0.007 0.000 1.150 350 S HN 0.237 nan 8.310 nan 0.000 0.437 351 P HA 0.621 nan 4.420 nan 0.000 0.274 351 P C 0.417 177.676 177.300 -0.069 0.000 1.246 351 P CA 0.329 63.392 63.100 -0.060 0.000 0.795 351 P CB 0.941 32.574 31.700 -0.112 0.000 1.006 352 G N -0.304 108.441 108.800 -0.091 0.000 2.369 352 G HA2 0.053 4.013 3.960 0.001 0.000 0.295 352 G HA3 0.053 4.013 3.960 0.001 0.000 0.295 352 G C -1.598 173.233 174.900 -0.115 0.000 1.298 352 G CA -0.846 44.198 45.100 -0.093 0.000 0.940 352 G HN 0.654 nan 8.290 nan 0.000 0.536 353 K N 0.233 120.578 120.400 -0.092 0.000 2.297 353 K HA 0.528 4.848 4.320 0.001 0.000 0.286 353 K C 0.175 176.747 176.600 -0.048 0.000 1.053 353 K CA -0.547 55.684 56.287 -0.094 0.000 0.940 353 K CB 0.321 32.784 32.500 -0.061 0.000 1.019 353 K HN 0.351 nan 8.250 nan 0.000 0.475 354 I N 5.143 125.685 120.570 -0.048 0.000 2.363 354 I HA -0.036 4.134 4.170 0.001 0.000 0.292 354 I C 1.529 177.674 176.117 0.047 0.000 1.075 354 I CA -0.095 61.212 61.300 0.013 0.000 1.333 354 I CB 1.111 39.118 38.000 0.013 0.000 1.415 354 I HN 0.811 nan 8.210 nan 0.000 0.502 355 T N 2.941 117.530 114.554 0.058 0.000 3.054 355 T HA 0.096 4.447 4.350 0.001 0.000 0.259 355 T C 0.819 175.574 174.700 0.092 0.000 1.092 355 T CA 0.096 62.234 62.100 0.064 0.000 1.121 355 T CB 0.234 69.127 68.868 0.042 0.000 0.912 355 T HN 0.548 nan 8.240 nan 0.000 0.489 356 R N -0.428 120.143 120.500 0.118 0.000 2.584 356 R HA 0.604 4.944 4.340 0.001 0.000 0.276 356 R C -2.390 174.050 176.300 0.232 0.000 1.046 356 R CA -1.031 55.154 56.100 0.141 0.000 0.906 356 R CB 1.716 32.063 30.300 0.080 0.000 1.215 356 R HN 0.285 nan 8.270 nan 0.000 0.449 357 F N 3.285 123.281 119.950 0.076 0.000 2.573 357 F HA 0.435 4.963 4.527 0.001 0.000 0.316 357 F C -1.665 174.199 175.800 0.108 0.000 1.148 357 F CA -0.581 57.463 58.000 0.074 0.000 0.940 357 F CB 1.746 40.798 39.000 0.086 0.000 1.214 357 F HN 0.718 nan 8.300 nan 0.000 0.448 358 H N 4.206 122.702 119.070 -0.957 0.000 2.840 358 H HA 0.723 5.279 4.556 0.001 0.000 0.340 358 H C -1.218 173.409 175.328 -1.168 0.000 1.004 358 H CA -0.273 55.229 56.048 -0.909 0.000 1.288 358 H CB 1.773 31.285 29.762 -0.418 0.000 1.607 358 H HN 0.883 nan 8.280 nan 0.000 0.522 359 A N 5.864 127.796 122.820 -1.480 0.000 2.316 359 A HA 0.486 4.806 4.320 0.001 0.000 0.284 359 A C -2.328 174.786 177.584 -0.783 0.000 1.115 359 A CA -1.452 49.869 52.037 -1.192 0.000 0.812 359 A CB -0.011 18.412 19.000 -0.963 0.000 1.064 359 A HN 0.613 nan 8.150 nan 0.000 0.489 360 P HA 0.425 nan 4.420 nan 0.000 0.275 360 P C 0.145 177.338 177.300 -0.179 0.000 1.228 360 P CA 0.183 63.115 63.100 -0.280 0.000 0.786 360 P CB 1.482 33.069 31.700 -0.189 0.000 0.927 361 G N -0.583 108.167 108.800 -0.083 0.000 3.211 361 G HA2 0.773 4.734 3.960 0.001 0.000 0.262 361 G HA3 0.773 4.734 3.960 0.001 0.000 0.262 361 G C -0.458 174.467 174.900 0.041 0.000 1.352 361 G CA -0.658 44.435 45.100 -0.011 0.000 1.004 361 G HN 0.817 nan 8.290 nan 0.000 0.559 362 G N -2.114 106.733 108.800 0.079 0.000 2.440 362 G HA2 0.389 4.350 3.960 0.001 0.000 0.684 362 G HA3 0.389 4.350 3.960 0.001 0.000 0.684 362 G C -0.814 174.214 174.900 0.212 0.000 1.309 362 G CA -0.481 44.694 45.100 0.126 0.000 0.931 362 G HN 1.328 nan 8.290 nan 0.000 0.612 363 F N 2.023 122.003 119.950 0.050 0.000 2.578 363 F HA 0.456 4.984 4.527 0.001 0.000 0.381 363 F C 1.618 177.475 175.800 0.095 0.000 1.069 363 F CA 0.886 58.926 58.000 0.067 0.000 1.231 363 F CB 0.607 39.644 39.000 0.061 0.000 1.086 363 F HN 2.199 nan 8.300 nan 0.000 0.564 364 G N 3.790 112.598 108.800 0.013 0.000 2.179 364 G HA2 -0.187 3.773 3.960 0.001 0.000 0.260 364 G HA3 -0.187 3.773 3.960 0.001 0.000 0.260 364 G C -0.432 174.510 174.900 0.070 0.000 0.977 364 G CA 0.104 45.170 45.100 -0.058 0.000 0.641 364 G HN 0.781 nan 8.290 nan 0.000 0.533 365 V N 1.124 121.099 119.914 0.102 0.000 2.370 365 V HA 0.661 4.781 4.120 0.001 0.000 0.279 365 V C 0.579 176.755 176.094 0.138 0.000 1.029 365 V CA -0.496 61.874 62.300 0.116 0.000 0.870 365 V CB 1.524 33.408 31.823 0.101 0.000 0.984 365 V HN 0.469 nan 8.190 nan 0.000 0.451 366 R N 5.085 125.677 120.500 0.154 0.000 2.480 366 R HA 0.361 4.701 4.340 0.001 0.000 0.306 366 R C -1.457 174.993 176.300 0.251 0.000 0.958 366 R CA -0.602 55.595 56.100 0.162 0.000 0.861 366 R CB 1.472 31.829 30.300 0.095 0.000 1.171 366 R HN 0.837 nan 8.270 nan 0.000 0.445 367 W N 6.267 127.592 121.300 0.041 0.000 2.471 367 W HA 0.343 5.004 4.660 0.001 0.000 0.318 367 W C -1.312 175.240 176.519 0.054 0.000 1.034 367 W CA -0.607 56.770 57.345 0.054 0.000 1.224 367 W CB 1.779 31.279 29.460 0.067 0.000 1.335 367 W HN 0.535 nan 8.180 nan 0.000 0.452 368 E N 4.812 124.662 120.200 -0.582 0.000 2.255 368 E HA 0.275 4.625 4.350 0.001 0.000 0.245 368 E C -1.098 175.030 176.600 -0.787 0.000 0.909 368 E CA -0.170 55.929 56.400 -0.502 0.000 0.747 368 E CB 1.806 31.346 29.700 -0.267 0.000 1.215 368 E HN 0.317 nan 8.360 nan 0.000 0.424 369 S N 1.352 116.617 115.700 -0.726 0.000 2.543 369 S HA 0.152 4.622 4.470 0.001 0.000 0.274 369 S C 0.276 174.762 174.600 -0.190 0.000 1.149 369 S CA -0.650 57.239 58.200 -0.518 0.000 0.866 369 S CB 0.555 63.262 63.200 -0.822 0.000 1.111 369 S HN 0.601 nan 8.310 nan 0.000 0.457 370 H N 3.454 122.394 119.070 -0.216 0.000 2.548 370 H HA 0.262 4.818 4.556 0.001 0.000 0.265 370 H C 1.027 176.201 175.328 -0.256 0.000 0.969 370 H CA 0.256 56.196 56.048 -0.180 0.000 1.155 370 H CB -0.737 28.901 29.762 -0.205 0.000 1.394 370 H HN 0.666 nan 8.280 nan 0.000 0.570 371 I N -0.305 119.842 120.570 -0.705 0.000 2.882 371 I HA 0.367 4.537 4.170 0.001 0.000 0.286 371 I C -0.635 175.177 176.117 -0.508 0.000 1.139 371 I CA -0.961 59.881 61.300 -0.764 0.000 1.379 371 I CB 0.664 38.258 38.000 -0.677 0.000 1.410 371 I HN 0.060 nan 8.210 nan 0.000 0.594 372 Y N 2.414 122.466 120.300 -0.415 0.000 2.624 372 Y HA 0.720 5.270 4.550 0.001 0.000 0.334 372 Y C -0.653 175.274 175.900 0.044 0.000 1.155 372 Y CA -1.501 56.508 58.100 -0.152 0.000 1.046 372 Y CB 0.480 38.935 38.460 -0.008 0.000 1.316 372 Y HN 0.840 nan 8.280 nan 0.000 0.457 373 A N 1.412 124.466 122.820 0.390 0.000 2.522 373 A HA 0.461 4.781 4.320 0.001 0.000 0.256 373 A C 1.383 179.137 177.584 0.284 0.000 1.086 373 A CA 1.015 53.230 52.037 0.298 0.000 0.763 373 A CB -1.245 17.932 19.000 0.296 0.000 1.024 373 A HN 2.296 nan 8.150 nan 0.000 0.502 374 G N 0.837 109.725 108.800 0.146 0.000 2.213 374 G HA2 -0.255 3.705 3.960 0.001 0.000 0.236 374 G HA3 -0.255 3.705 3.960 0.001 0.000 0.236 374 G C 0.155 175.070 174.900 0.025 0.000 0.991 374 G CA 0.350 45.526 45.100 0.126 0.000 0.629 374 G HN 1.525 nan 8.290 nan 0.000 0.517 375 Y N 2.764 122.840 120.300 -0.374 0.000 2.425 375 Y HA 0.553 5.104 4.550 0.001 0.000 0.331 375 Y C 0.444 176.185 175.900 -0.264 0.000 1.157 375 Y CA 0.623 58.365 58.100 -0.597 0.000 1.372 375 Y CB 0.995 38.713 38.460 -1.236 0.000 1.253 375 Y HN 0.052 nan 8.280 nan 0.000 0.536 376 T N 6.800 120.802 114.554 -0.920 0.000 2.744 376 T HA 0.299 4.650 4.350 0.001 0.000 0.291 376 T C -0.702 173.385 174.700 -1.022 0.000 0.957 376 T CA -0.575 61.107 62.100 -0.695 0.000 1.002 376 T CB 0.383 69.039 68.868 -0.353 0.000 0.919 376 T HN 0.472 nan 8.240 nan 0.000 0.468 377 V N 8.252 127.853 119.914 -0.520 0.000 2.421 377 V HA 0.183 4.303 4.120 0.001 0.000 0.271 377 V C -1.870 174.158 176.094 -0.109 0.000 1.031 377 V CA -1.520 60.675 62.300 -0.175 0.000 1.032 377 V CB 0.081 31.909 31.823 0.007 0.000 1.009 377 V HN 0.695 nan 8.190 nan 0.000 0.477 378 P HA 0.251 nan 4.420 nan 0.000 0.274 378 P C -2.032 175.151 177.300 -0.195 0.000 1.231 378 P CA -1.835 61.237 63.100 -0.047 0.000 0.790 378 P CB 0.230 32.078 31.700 0.246 0.000 0.951 379 P HA -0.054 nan 4.420 nan 0.000 0.237 379 P C 0.517 177.498 177.300 -0.531 0.000 1.178 379 P CA 1.199 63.997 63.100 -0.503 0.000 0.766 379 P CB -0.150 31.211 31.700 -0.565 0.000 0.876 380 Y N -1.786 118.308 120.300 -0.344 0.000 2.519 380 Y HA 0.079 4.629 4.550 0.001 0.000 0.287 380 Y C 1.167 176.728 175.900 -0.565 0.000 1.128 380 Y CA 0.117 57.861 58.100 -0.593 0.000 1.282 380 Y CB -0.354 37.501 38.460 -1.008 0.000 1.027 380 Y HN -0.070 nan 8.280 nan 0.000 0.551 381 Y N -1.024 119.408 120.300 0.220 0.000 2.805 381 Y HA 0.335 4.886 4.550 0.001 0.000 0.321 381 Y C 0.054 176.020 175.900 0.110 0.000 1.203 381 Y CA -2.024 56.195 58.100 0.199 0.000 1.165 381 Y CB 0.271 38.878 38.460 0.246 0.000 1.371 381 Y HN -0.326 nan 8.280 nan 0.000 0.564 382 D N -0.079 120.480 120.400 0.264 0.000 2.390 382 D HA 0.012 4.653 4.640 0.001 0.000 0.236 382 D C 0.964 177.349 176.300 0.141 0.000 1.189 382 D CA 0.748 54.831 54.000 0.138 0.000 0.887 382 D CB 0.806 41.660 40.800 0.090 0.000 1.198 382 D HN 0.550 nan 8.370 nan 0.000 0.444 383 S N 1.383 117.141 115.700 0.097 0.000 2.489 383 S HA -0.078 4.392 4.470 0.001 0.000 0.228 383 S C 1.038 175.701 174.600 0.106 0.000 0.995 383 S CA 0.053 58.311 58.200 0.096 0.000 0.934 383 S CB -0.078 63.168 63.200 0.077 0.000 0.771 383 S HN 0.517 nan 8.310 nan 0.000 0.522 384 M N 2.737 122.397 119.600 0.100 0.000 2.194 384 M HA 0.293 4.774 4.480 0.001 0.000 0.347 384 M C 0.590 176.973 176.300 0.138 0.000 1.439 384 M CA -0.116 55.241 55.300 0.094 0.000 1.131 384 M CB 0.539 33.178 32.600 0.064 0.000 1.733 384 M HN 0.494 nan 8.290 nan 0.000 0.467 385 I N 1.316 121.957 120.570 0.118 0.000 4.070 385 I HA 0.565 4.736 4.170 0.001 0.000 0.328 385 I C 0.535 176.643 176.117 -0.015 0.000 1.298 385 I CA -0.245 61.125 61.300 0.116 0.000 1.173 385 I CB 0.419 38.456 38.000 0.060 0.000 1.051 385 I HN 0.635 nan 8.210 nan 0.000 0.409 386 G N 1.189 109.960 108.800 -0.048 0.000 2.523 386 G HA2 0.543 4.504 3.960 0.001 0.000 0.291 386 G HA3 0.543 4.504 3.960 0.001 0.000 0.291 386 G C -1.942 172.823 174.900 -0.225 0.000 1.450 386 G CA -0.875 44.049 45.100 -0.294 0.000 0.790 386 G HN 0.077 nan 8.290 nan 0.000 0.496 387 K N -0.078 120.085 120.400 -0.395 0.000 2.507 387 K HA 0.532 4.852 4.320 0.001 0.000 0.251 387 K C -1.623 174.918 176.600 -0.098 0.000 0.943 387 K CA -0.822 55.365 56.287 -0.167 0.000 0.794 387 K CB 2.909 35.328 32.500 -0.136 0.000 1.188 387 K HN 0.309 nan 8.250 nan 0.000 0.428 388 L N 4.444 125.757 121.223 0.151 0.000 2.287 388 L HA 0.513 4.854 4.340 0.001 0.000 0.287 388 L C -1.449 175.520 176.870 0.164 0.000 1.022 388 L CA -0.491 54.534 54.840 0.308 0.000 0.814 388 L CB 0.792 43.083 42.059 0.388 0.000 1.217 388 L HN 0.543 nan 8.230 nan 0.000 0.420 389 I N 4.969 125.628 120.570 0.149 0.000 2.418 389 I HA 0.412 4.583 4.170 0.001 0.000 0.287 389 I C -0.787 175.404 176.117 0.125 0.000 1.008 389 I CA -0.065 61.297 61.300 0.104 0.000 1.104 389 I CB 1.636 39.668 38.000 0.052 0.000 1.264 389 I HN 0.486 nan 8.210 nan 0.000 0.438 390 C N 5.358 124.732 119.300 0.124 0.000 2.408 390 C HA 0.550 5.011 4.460 0.001 0.000 0.321 390 C C -0.515 174.559 174.990 0.140 0.000 1.245 390 C CA -0.801 58.288 59.018 0.120 0.000 1.523 390 C CB 0.904 28.700 27.740 0.094 0.000 2.178 390 C HN 0.687 nan 8.230 nan 0.000 0.488 391 Y N 1.652 121.944 120.300 -0.013 0.000 2.446 391 Y HA 0.794 5.344 4.550 0.001 0.000 0.338 391 Y C 0.174 176.024 175.900 -0.084 0.000 1.055 391 Y CA 0.084 58.165 58.100 -0.031 0.000 1.101 391 Y CB 1.589 40.017 38.460 -0.054 0.000 1.221 391 Y HN 0.821 nan 8.280 nan 0.000 0.460 392 G N 3.016 111.242 108.800 -0.957 0.000 2.684 392 G HA2 0.221 4.181 3.960 0.001 0.000 0.290 392 G HA3 0.221 4.181 3.960 0.001 0.000 0.290 392 G C -0.477 173.884 174.900 -0.898 0.000 1.425 392 G CA -0.553 44.097 45.100 -0.750 0.000 0.822 392 G HN 0.642 nan 8.290 nan 0.000 0.482 393 E N -0.672 119.277 120.200 -0.418 0.000 2.268 393 E HA -0.085 4.266 4.350 0.001 0.000 0.195 393 E C 0.427 176.923 176.600 -0.174 0.000 0.995 393 E CA 1.173 57.443 56.400 -0.217 0.000 0.836 393 E CB -0.223 29.435 29.700 -0.070 0.000 0.763 393 E HN 0.525 nan 8.360 nan 0.000 0.491 394 N N -1.068 117.513 118.700 -0.200 0.000 2.853 394 N HA 0.169 4.910 4.740 0.001 0.000 0.258 394 N C 0.190 175.561 175.510 -0.233 0.000 1.444 394 N CA -0.834 52.115 53.050 -0.167 0.000 0.837 394 N CB 1.132 39.537 38.487 -0.136 0.000 1.489 394 N HN -0.179 nan 8.380 nan 0.000 0.529 395 R N -0.551 119.721 120.500 -0.380 0.000 2.091 395 R HA -0.141 4.200 4.340 0.001 0.000 0.238 395 R C 0.174 176.274 176.300 -0.334 0.000 1.136 395 R CA 1.965 57.682 56.100 -0.638 0.000 0.959 395 R CB -0.404 29.339 30.300 -0.928 0.000 0.856 395 R HN 0.634 nan 8.270 nan 0.000 0.437 396 D N -0.305 119.947 120.400 -0.248 0.000 2.117 396 D HA -0.134 4.507 4.640 0.001 0.000 0.197 396 D C 1.910 178.143 176.300 -0.112 0.000 0.987 396 D CA 1.219 55.123 54.000 -0.160 0.000 0.829 396 D CB -0.152 40.571 40.800 -0.129 0.000 0.961 396 D HN 0.093 nan 8.370 nan 0.000 0.460 397 V N 1.343 121.183 119.914 -0.123 0.000 2.295 397 V HA -0.231 3.889 4.120 0.001 0.000 0.246 397 V C 2.536 178.575 176.094 -0.091 0.000 1.049 397 V CA 1.734 63.973 62.300 -0.102 0.000 1.024 397 V CB -0.864 30.881 31.823 -0.129 0.000 0.648 397 V HN 0.182 nan 8.190 nan 0.000 0.447 398 A N 0.103 122.853 122.820 -0.115 0.000 1.892 398 A HA -0.241 4.079 4.320 0.001 0.000 0.218 398 A C 2.188 179.784 177.584 0.018 0.000 1.188 398 A CA 2.314 54.322 52.037 -0.048 0.000 0.631 398 A CB -0.629 18.373 19.000 0.004 0.000 0.822 398 A HN 0.518 nan 8.150 nan 0.000 0.447 399 I N -0.464 120.113 120.570 0.013 0.000 2.252 399 I HA -0.262 3.909 4.170 0.001 0.000 0.245 399 I C 2.987 179.139 176.117 0.059 0.000 1.102 399 I CA 0.957 62.304 61.300 0.078 0.000 1.385 399 I CB -0.381 37.657 38.000 0.064 0.000 1.064 399 I HN 0.372 nan 8.210 nan 0.000 0.414 400 A N 0.997 123.828 122.820 0.017 0.000 1.883 400 A HA -0.235 4.086 4.320 0.001 0.000 0.217 400 A C 2.397 179.996 177.584 0.026 0.000 1.186 400 A CA 1.695 53.742 52.037 0.018 0.000 0.624 400 A CB -0.613 18.386 19.000 -0.002 0.000 0.822 400 A HN 0.322 nan 8.150 nan 0.000 0.444 401 R N -1.914 118.597 120.500 0.019 0.000 2.096 401 R HA -0.114 4.227 4.340 0.001 0.000 0.235 401 R C 2.213 178.541 176.300 0.047 0.000 1.127 401 R CA 1.627 57.744 56.100 0.029 0.000 0.968 401 R CB -0.374 29.935 30.300 0.016 0.000 0.861 401 R HN 0.563 nan 8.270 nan 0.000 0.440 402 M N 1.455 121.092 119.600 0.061 0.000 2.086 402 M HA -0.155 4.326 4.480 0.001 0.000 0.261 402 M C 1.602 177.940 176.300 0.062 0.000 1.067 402 M CA 1.805 57.151 55.300 0.076 0.000 1.116 402 M CB -0.010 32.651 32.600 0.101 0.000 1.348 402 M HN -0.111 nan 8.290 nan 0.000 0.407 403 K N -0.199 120.237 120.400 0.060 0.000 2.032 403 K HA -0.175 4.145 4.320 0.001 0.000 0.209 403 K C 1.815 178.436 176.600 0.034 0.000 1.048 403 K CA 2.130 58.446 56.287 0.048 0.000 0.927 403 K CB -0.556 31.974 32.500 0.049 0.000 0.712 403 K HN 0.589 nan 8.250 nan 0.000 0.441 404 N N 0.442 119.161 118.700 0.032 0.000 2.084 404 N HA -0.156 4.584 4.740 0.001 0.000 0.190 404 N C 1.936 177.455 175.510 0.015 0.000 1.030 404 N CA 0.850 53.914 53.050 0.023 0.000 0.849 404 N CB -0.152 38.350 38.487 0.025 0.000 1.012 404 N HN 0.186 nan 8.380 nan 0.000 0.423 405 A N 1.380 124.213 122.820 0.022 0.000 1.933 405 A HA -0.073 4.248 4.320 0.001 0.000 0.218 405 A C 2.153 179.731 177.584 -0.009 0.000 1.175 405 A CA 1.002 53.043 52.037 0.007 0.000 0.628 405 A CB -0.697 18.324 19.000 0.036 0.000 0.814 405 A HN 0.176 nan 8.150 nan 0.000 0.444 406 L N -0.656 120.577 121.223 0.017 0.000 2.131 406 L HA -0.205 4.136 4.340 0.001 0.000 0.210 406 L C 2.763 179.632 176.870 -0.002 0.000 1.092 406 L CA 0.995 55.845 54.840 0.016 0.000 0.759 406 L CB -0.373 41.707 42.059 0.035 0.000 0.903 406 L HN 0.409 nan 8.230 nan 0.000 0.435 407 Q N -0.206 119.593 119.800 -0.002 0.000 2.172 407 Q HA -0.160 4.180 4.340 0.001 0.000 0.200 407 Q C 1.938 177.924 176.000 -0.022 0.000 0.964 407 Q CA 1.121 56.920 55.803 -0.007 0.000 0.855 407 Q CB 0.014 28.752 28.738 -0.000 0.000 0.918 407 Q HN 0.594 nan 8.270 nan 0.000 0.444 408 E N 0.327 120.508 120.200 -0.033 0.000 2.216 408 E HA -0.069 4.282 4.350 0.001 0.000 0.192 408 E C 0.274 176.824 176.600 -0.084 0.000 0.988 408 E CA -0.215 56.159 56.400 -0.043 0.000 0.834 408 E CB 0.130 29.805 29.700 -0.042 0.000 0.772 408 E HN 0.032 nan 8.360 nan 0.000 0.479 409 L N 1.959 123.108 121.223 -0.122 0.000 2.477 409 L HA 0.107 4.448 4.340 0.001 0.000 0.272 409 L C -0.599 176.205 176.870 -0.110 0.000 1.157 409 L CA 0.765 55.487 54.840 -0.196 0.000 0.889 409 L CB 0.200 42.156 42.059 -0.172 0.000 1.158 409 L HN -0.077 nan 8.230 nan 0.000 0.473 410 I N 6.939 127.425 120.570 -0.139 0.000 2.389 410 I HA 0.395 4.566 4.170 0.001 0.000 0.288 410 I C -0.588 175.575 176.117 0.076 0.000 0.999 410 I CA -0.299 60.979 61.300 -0.037 0.000 1.129 410 I CB 1.349 39.325 38.000 -0.039 0.000 1.288 410 I HN 0.490 nan 8.210 nan 0.000 0.444 411 I N 5.418 126.070 120.570 0.135 0.000 2.540 411 I HA 0.294 4.464 4.170 0.001 0.000 0.280 411 I C -1.303 174.888 176.117 0.123 0.000 1.083 411 I CA -0.518 60.911 61.300 0.215 0.000 1.080 411 I CB 1.330 39.467 38.000 0.228 0.000 1.205 411 I HN 0.410 nan 8.210 nan 0.000 0.459 412 D N 3.606 124.072 120.400 0.111 0.000 2.272 412 D HA 0.660 5.301 4.640 0.001 0.000 0.247 412 D C 0.996 177.329 176.300 0.056 0.000 0.990 412 D CA 0.306 54.346 54.000 0.067 0.000 0.931 412 D CB 2.205 43.037 40.800 0.054 0.000 1.195 412 D HN 0.757 nan 8.370 nan 0.000 0.477 413 G N 0.124 108.944 108.800 0.033 0.000 2.254 413 G HA2 -0.185 3.776 3.960 0.001 0.000 0.225 413 G HA3 -0.185 3.776 3.960 0.001 0.000 0.225 413 G C 0.264 175.169 174.900 0.008 0.000 1.003 413 G CA 0.337 45.448 45.100 0.018 0.000 0.622 413 G HN 0.631 nan 8.290 nan 0.000 0.507 414 I N -2.891 117.689 120.570 0.017 0.000 2.969 414 I HA 0.794 4.965 4.170 0.001 0.000 0.307 414 I C -0.555 175.575 176.117 0.021 0.000 1.149 414 I CA -1.665 59.643 61.300 0.012 0.000 1.008 414 I CB 1.779 39.786 38.000 0.012 0.000 1.232 414 I HN -0.225 nan 8.210 nan 0.000 0.435 415 K N 2.618 123.026 120.400 0.013 0.000 2.237 415 K HA 0.495 4.815 4.320 0.001 0.000 0.270 415 K C -0.015 176.605 176.600 0.034 0.000 1.015 415 K CA -0.164 56.131 56.287 0.013 0.000 0.949 415 K CB 1.383 33.880 32.500 -0.006 0.000 0.976 415 K HN 0.951 nan 8.250 nan 0.000 0.472 416 T N -2.104 112.474 114.554 0.041 0.000 2.864 416 T HA 0.250 4.600 4.350 0.001 0.000 0.289 416 T C 0.586 175.322 174.700 0.060 0.000 1.082 416 T CA -0.914 61.226 62.100 0.066 0.000 1.009 416 T CB 0.973 69.896 68.868 0.091 0.000 1.234 416 T HN 0.468 nan 8.240 nan 0.000 0.526 417 N N 0.523 119.276 118.700 0.089 0.000 2.370 417 N HA 0.015 4.756 4.740 0.001 0.000 0.198 417 N C 1.361 176.918 175.510 0.079 0.000 1.156 417 N CA -0.081 53.027 53.050 0.097 0.000 0.839 417 N CB -0.654 37.923 38.487 0.151 0.000 0.989 417 N HN 0.386 nan 8.380 nan 0.000 0.468 418 V N 0.925 120.883 119.914 0.072 0.000 2.332 418 V HA -0.257 3.864 4.120 0.001 0.000 0.248 418 V C 1.669 177.789 176.094 0.042 0.000 1.055 418 V CA 2.103 64.442 62.300 0.065 0.000 1.038 418 V CB -0.476 31.386 31.823 0.065 0.000 0.651 418 V HN 0.253 nan 8.190 nan 0.000 0.450 419 D N -0.402 120.015 120.400 0.029 0.000 2.144 419 D HA -0.137 4.503 4.640 0.001 0.000 0.199 419 D C 1.900 178.212 176.300 0.019 0.000 0.984 419 D CA 1.012 55.022 54.000 0.016 0.000 0.834 419 D CB -0.284 40.516 40.800 0.000 0.000 0.955 419 D HN 0.361 nan 8.370 nan 0.000 0.465 420 L N 0.887 122.129 121.223 0.032 0.000 2.046 420 L HA -0.157 4.184 4.340 0.001 0.000 0.208 420 L C 1.980 178.868 176.870 0.030 0.000 1.077 420 L CA 1.676 56.545 54.840 0.048 0.000 0.747 420 L CB -0.548 41.577 42.059 0.110 0.000 0.896 420 L HN -0.084 nan 8.230 nan 0.000 0.432 421 Q N -0.240 119.576 119.800 0.027 0.000 2.124 421 Q HA -0.176 4.165 4.340 0.001 0.000 0.202 421 Q C 2.386 178.377 176.000 -0.015 0.000 0.977 421 Q CA 2.100 57.900 55.803 -0.005 0.000 0.850 421 Q CB -0.350 28.399 28.738 0.019 0.000 0.901 421 Q HN 0.614 nan 8.270 nan 0.000 0.429 422 I N 0.406 120.982 120.570 0.010 0.000 2.163 422 I HA -0.306 3.864 4.170 0.001 0.000 0.243 422 I C 2.527 178.654 176.117 0.016 0.000 1.085 422 I CA 1.216 62.526 61.300 0.016 0.000 1.347 422 I CB -0.230 37.782 38.000 0.021 0.000 1.044 422 I HN 0.152 nan 8.210 nan 0.000 0.408 423 R N 0.589 121.098 120.500 0.016 0.000 2.091 423 R HA -0.144 4.197 4.340 0.001 0.000 0.238 423 R C 2.307 178.621 176.300 0.023 0.000 1.136 423 R CA 1.476 57.591 56.100 0.026 0.000 0.959 423 R CB -0.366 29.951 30.300 0.028 0.000 0.856 423 R HN 0.365 nan 8.270 nan 0.000 0.437 424 I N 0.243 120.796 120.570 -0.027 0.000 2.252 424 I HA -0.267 3.903 4.170 0.001 0.000 0.245 424 I C 2.186 178.201 176.117 -0.170 0.000 1.102 424 I CA 0.969 62.201 61.300 -0.114 0.000 1.385 424 I CB -0.193 37.662 38.000 -0.241 0.000 1.064 424 I HN 0.153 nan 8.210 nan 0.000 0.414 425 M N 0.228 119.758 119.600 -0.117 0.000 2.213 425 M HA -0.141 4.339 4.480 0.001 0.000 0.263 425 M C 1.545 177.952 176.300 0.179 0.000 1.062 425 M CA 1.477 56.807 55.300 0.050 0.000 1.105 425 M CB -1.349 31.289 32.600 0.064 0.000 1.385 425 M HN 0.252 nan 8.290 nan 0.000 0.417 426 N N 0.642 119.408 118.700 0.110 0.000 2.461 426 N HA -0.038 4.702 4.740 0.001 0.000 0.188 426 N C 0.227 175.818 175.510 0.134 0.000 1.134 426 N CA 0.234 53.350 53.050 0.110 0.000 0.878 426 N CB -0.073 38.457 38.487 0.071 0.000 0.972 426 N HN 0.385 nan 8.380 nan 0.000 0.456 427 D N 1.280 121.787 120.400 0.178 0.000 2.383 427 D HA -0.005 4.635 4.640 0.001 0.000 0.252 427 D C 0.596 177.014 176.300 0.197 0.000 1.166 427 D CA 0.132 54.252 54.000 0.201 0.000 0.879 427 D CB 1.192 42.145 40.800 0.256 0.000 1.164 427 D HN 0.157 nan 8.370 nan 0.000 0.462 428 E N 2.763 123.046 120.200 0.139 0.000 2.153 428 E HA -0.153 4.197 4.350 0.001 0.000 0.194 428 E C 1.249 177.892 176.600 0.072 0.000 0.988 428 E CA 0.632 57.089 56.400 0.095 0.000 0.811 428 E CB 0.245 29.988 29.700 0.070 0.000 0.746 428 E HN 0.499 nan 8.360 nan 0.000 0.466 429 N N 0.408 119.137 118.700 0.048 0.000 2.216 429 N HA -0.118 4.622 4.740 0.001 0.000 0.183 429 N C 1.664 177.133 175.510 -0.067 0.000 1.017 429 N CA 0.652 53.655 53.050 -0.079 0.000 0.861 429 N CB -0.285 38.035 38.487 -0.277 0.000 0.986 429 N HN 0.151 nan 8.380 nan 0.000 0.428 430 F N 2.328 122.196 119.950 -0.138 0.000 2.134 430 F HA -0.152 4.376 4.527 0.001 0.000 0.299 430 F C 2.401 178.188 175.800 -0.022 0.000 1.097 430 F CA 1.339 59.293 58.000 -0.076 0.000 1.264 430 F CB -0.036 38.956 39.000 -0.013 0.000 1.001 430 F HN -0.022 nan 8.300 nan 0.000 0.479 431 Q N -0.808 118.937 119.800 -0.092 0.000 2.124 431 Q HA -0.269 4.072 4.340 0.001 0.000 0.202 431 Q C 2.244 178.132 176.000 -0.188 0.000 0.977 431 Q CA 1.610 57.303 55.803 -0.183 0.000 0.850 431 Q CB -0.561 28.172 28.738 -0.008 0.000 0.901 431 Q HN 0.583 nan 8.270 nan 0.000 0.429 432 H N -0.165 118.799 119.070 -0.177 0.000 2.357 432 H HA -0.011 4.545 4.556 0.001 0.000 0.301 432 H C 0.658 175.871 175.328 -0.190 0.000 1.082 432 H CA 1.602 57.559 56.048 -0.151 0.000 1.342 432 H CB 0.166 29.866 29.762 -0.102 0.000 1.389 432 H HN 0.280 nan 8.280 nan 0.000 0.511 433 G N -1.954 106.768 108.800 -0.130 0.000 2.662 433 G HA2 0.090 4.051 3.960 0.001 0.000 0.686 433 G HA3 0.090 4.051 3.960 0.001 0.000 0.686 433 G C 0.614 175.515 174.900 0.001 0.000 1.271 433 G CA 0.200 45.195 45.100 -0.176 0.000 0.816 433 G HN 1.031 nan 8.290 nan 0.000 0.608 434 G N -1.248 107.552 108.800 0.001 0.000 2.147 434 G HA2 0.170 4.131 3.960 0.001 0.000 0.244 434 G HA3 0.170 4.131 3.960 0.001 0.000 0.244 434 G C 0.970 175.903 174.900 0.055 0.000 1.005 434 G CA 1.433 46.569 45.100 0.060 0.000 0.713 434 G HN 2.805 nan 8.290 nan 0.000 0.515 435 T N -0.622 113.938 114.554 0.011 0.000 2.926 435 T HA 0.458 4.809 4.350 0.001 0.000 0.307 435 T C 0.783 175.527 174.700 0.074 0.000 1.059 435 T CA 0.245 62.325 62.100 -0.033 0.000 1.122 435 T CB 1.320 70.053 68.868 -0.225 0.000 0.972 435 T HN 0.947 nan 8.240 nan 0.000 0.545 436 N N 1.704 120.469 118.700 0.109 0.000 2.405 436 N HA 0.233 4.974 4.740 0.001 0.000 0.269 436 N C 1.269 176.828 175.510 0.081 0.000 1.249 436 N CA -0.945 52.167 53.050 0.104 0.000 0.974 436 N CB 0.080 38.631 38.487 0.107 0.000 1.204 436 N HN 0.810 nan 8.380 nan 0.000 0.565 437 I N -4.056 116.481 120.570 -0.055 0.000 2.916 437 I HA -0.033 4.138 4.170 0.001 0.000 0.267 437 I C 0.470 176.450 176.117 -0.229 0.000 1.263 437 I CA 1.018 62.229 61.300 -0.148 0.000 1.471 437 I CB -0.441 37.438 38.000 -0.201 0.000 1.089 437 I HN 0.403 nan 8.210 nan 0.000 0.468 438 H N -0.862 118.269 119.070 0.103 0.000 2.551 438 H HA 0.062 4.618 4.556 0.001 0.000 0.271 438 H C 1.472 176.843 175.328 0.072 0.000 0.984 438 H CA 0.310 56.399 56.048 0.067 0.000 1.164 438 H CB -0.105 29.695 29.762 0.064 0.000 1.437 438 H HN 0.447 nan 8.280 nan 0.000 0.550 439 Y N 1.615 121.977 120.300 0.104 0.000 2.145 439 Y HA -0.214 4.337 4.550 0.001 0.000 0.286 439 Y C 2.347 178.284 175.900 0.061 0.000 1.145 439 Y CA 1.020 59.173 58.100 0.087 0.000 1.148 439 Y CB -0.283 38.229 38.460 0.087 0.000 0.981 439 Y HN 0.097 nan 8.280 nan 0.000 0.507 440 L N 0.816 122.065 121.223 0.043 0.000 2.017 440 L HA -0.189 4.152 4.340 0.001 0.000 0.208 440 L C 2.051 178.850 176.870 -0.119 0.000 1.073 440 L CA 2.115 56.929 54.840 -0.043 0.000 0.745 440 L CB -0.905 41.164 42.059 0.017 0.000 0.894 440 L HN 0.310 nan 8.230 nan 0.000 0.432 441 E N -0.495 119.658 120.200 -0.077 0.000 2.150 441 E HA -0.252 4.098 4.350 0.001 0.000 0.193 441 E C 2.048 178.598 176.600 -0.084 0.000 0.985 441 E CA 1.395 57.754 56.400 -0.067 0.000 0.814 441 E CB -0.082 29.590 29.700 -0.046 0.000 0.752 441 E HN 0.655 nan 8.360 nan 0.000 0.466 442 K N 1.319 121.646 120.400 -0.122 0.000 2.103 442 K HA -0.125 4.196 4.320 0.001 0.000 0.204 442 K C 2.086 178.563 176.600 -0.205 0.000 1.052 442 K CA 1.204 57.408 56.287 -0.138 0.000 0.945 442 K CB -0.074 32.362 32.500 -0.108 0.000 0.722 442 K HN -0.126 nan 8.250 nan 0.000 0.443 443 K N 1.331 121.505 120.400 -0.375 0.000 2.044 443 K HA -0.126 4.194 4.320 0.001 0.000 0.210 443 K C 1.911 178.432 176.600 -0.130 0.000 1.049 443 K CA 1.625 57.721 56.287 -0.318 0.000 0.927 443 K CB -0.137 32.113 32.500 -0.417 0.000 0.713 443 K HN 0.270 nan 8.250 nan 0.000 0.443 444 L N -0.295 120.875 121.223 -0.088 0.000 2.554 444 L HA 0.114 4.454 4.340 0.001 0.000 0.226 444 L C 1.004 177.869 176.870 -0.008 0.000 1.137 444 L CA 0.438 55.270 54.840 -0.013 0.000 0.863 444 L CB -0.043 42.047 42.059 0.050 0.000 0.985 444 L HN 0.586 nan 8.230 nan 0.000 0.451 445 G N 1.005 109.785 108.800 -0.034 0.000 2.225 445 G HA2 -0.251 3.709 3.960 0.001 0.000 0.264 445 G HA3 -0.251 3.709 3.960 0.001 0.000 0.264 445 G C -0.032 174.864 174.900 -0.007 0.000 1.060 445 G CA 0.094 45.181 45.100 -0.022 0.000 0.833 445 G HN 0.236 nan 8.290 nan 0.000 0.498 446 L N 0.000 121.219 121.223 -0.007 0.000 2.949 446 L HA 0.000 4.340 4.340 0.001 0.000 0.249 446 L CA 0.000 54.841 54.840 0.002 0.000 0.813 446 L CB 0.000 42.065 42.059 0.011 0.000 0.961 446 L HN 0.000 nan 8.230 nan 0.000 0.502