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 3itk_1_F DATA FIRST_RESID 0 DATA SEQUENCE SMFEIKKICC IGAGYVGGPT CSVIAHMCPE IRVTVVDVNE SRINAWNSPT DATA SEQUENCE LPIYEPGLKE VVESCRGKNL FFSTNIDDAI KEADLVFISV NTPTKTYGMG DATA SEQUENCE KGRAADLKYI EACARRIVQN SNGYKIVTEK SAVPVRAAES IRRIFDANTK DATA SEQUENCE PNLNLQVLSN PEFLAEGTAI KDLKNPDRVL IGGDETPEGQ RAVQALCAVY DATA SEQUENCE EHWVPREKIL TTNTWSSELS KLAANAFLAQ RISSINSISA LCEATGADVE DATA SEQUENCE EVATAIGMDQ RIGNKFLKAS VGFGGSCFQK DVLNLVYLCE ALNLPEVARY DATA SEQUENCE WQQVIDMNDY QRRRFASRII DSLFNTVTDK KIAILGFAFK KDTGDTRESS DATA SEQUENCE SIYISKYLMD EGAHLHIYDP KVPREQIVVD LSHPGVSEDD QVSRLVTISK DATA SEQUENCE DPYEACDGAH AVVICTEWDM FKELDYERIH KKMLKPAFIF DGRRVLDGLH DATA SEQUENCE NELQTIGFQI ETIGKKV 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.626 174.600 0.044 0.000 1.055 0 S CA 0.000 58.215 58.200 0.025 0.000 1.107 0 S CB 0.000 63.211 63.200 0.018 0.000 0.593 1 M N 0.997 120.630 119.600 0.055 0.000 2.292 1 M HA 0.672 5.152 4.480 -0.000 0.000 0.286 1 M C 0.190 176.527 176.300 0.061 0.000 1.002 1 M CA 0.029 55.353 55.300 0.040 0.000 1.029 1 M CB -0.788 31.828 32.600 0.026 0.000 1.537 1 M HN 0.974 nan 8.290 nan 0.000 0.543 2 F N 1.889 121.820 119.950 -0.033 0.000 2.443 2 F HA 0.535 5.062 4.527 -0.000 0.000 0.353 2 F C 0.426 176.233 175.800 0.012 0.000 1.101 2 F CA -0.277 57.704 58.000 -0.032 0.000 1.226 2 F CB 0.466 39.426 39.000 -0.068 0.000 1.140 2 F HN 0.418 nan 8.300 nan 0.000 0.557 3 E N 6.275 125.873 120.200 -1.003 0.000 2.218 3 E HA 0.331 4.681 4.350 -0.000 0.000 0.263 3 E C -0.849 175.258 176.600 -0.822 0.000 0.879 3 E CA -0.698 55.325 56.400 -0.628 0.000 0.762 3 E CB 1.118 30.617 29.700 -0.335 0.000 1.166 3 E HN 0.577 nan 8.360 nan 0.000 0.415 4 I N 5.005 125.346 120.570 -0.382 0.000 2.505 4 I HA -0.026 4.144 4.170 -0.000 0.000 0.287 4 I C 1.184 177.215 176.117 -0.142 0.000 1.104 4 I CA 0.305 61.504 61.300 -0.168 0.000 1.387 4 I CB 0.430 38.423 38.000 -0.011 0.000 1.404 4 I HN 0.410 nan 8.210 nan 0.000 0.528 5 K N 5.231 125.559 120.400 -0.119 0.000 2.399 5 K HA 0.253 4.573 4.320 -0.000 0.000 0.196 5 K C 0.121 176.695 176.600 -0.044 0.000 1.117 5 K CA 0.544 56.783 56.287 -0.081 0.000 0.965 5 K CB 0.546 32.998 32.500 -0.080 0.000 0.983 5 K HN 0.462 nan 8.250 nan 0.000 0.531 6 K N 1.106 121.491 120.400 -0.025 0.000 2.426 6 K HA 0.488 4.808 4.320 -0.000 0.000 0.254 6 K C -0.725 175.863 176.600 -0.021 0.000 0.936 6 K CA -0.320 55.957 56.287 -0.017 0.000 0.801 6 K CB 2.315 34.808 32.500 -0.013 0.000 1.139 6 K HN -0.119 nan 8.250 nan 0.000 0.424 7 I N 2.435 122.992 120.570 -0.021 0.000 2.406 7 I HA 0.259 4.429 4.170 -0.000 0.000 0.290 7 I C -0.477 175.635 176.117 -0.007 0.000 0.999 7 I CA -0.983 60.302 61.300 -0.025 0.000 1.124 7 I CB 1.656 39.664 38.000 0.013 0.000 1.289 7 I HN 0.633 nan 8.210 nan 0.000 0.441 8 C N 6.594 125.885 119.300 -0.014 0.000 2.355 8 C HA 0.656 5.116 4.460 -0.000 0.000 0.332 8 C C -0.050 174.983 174.990 0.071 0.000 1.255 8 C CA -0.482 58.541 59.018 0.007 0.000 1.792 8 C CB 0.592 28.328 27.740 -0.008 0.000 2.300 8 C HN 0.957 nan 8.230 nan 0.000 0.515 9 C N 7.810 127.157 119.300 0.078 0.000 2.322 9 C HA 0.607 5.067 4.460 -0.000 0.000 0.324 9 C C -0.235 174.791 174.990 0.061 0.000 1.249 9 C CA -0.682 58.416 59.018 0.133 0.000 1.453 9 C CB -0.808 26.992 27.740 0.099 0.000 2.145 9 C HN 0.846 nan 8.230 nan 0.000 0.466 10 I N 6.376 126.996 120.570 0.083 0.000 2.294 10 I HA 0.533 4.703 4.170 -0.000 0.000 0.295 10 I C 0.862 177.013 176.117 0.057 0.000 1.098 10 I CA 0.947 62.285 61.300 0.063 0.000 1.277 10 I CB 0.359 38.404 38.000 0.074 0.000 1.434 10 I HN 1.028 nan 8.210 nan 0.000 0.498 11 G N 4.531 113.354 108.800 0.038 0.000 2.952 11 G HA2 0.234 4.194 3.960 -0.000 0.000 0.431 11 G HA3 0.234 4.194 3.960 -0.000 0.000 0.431 11 G C -0.512 174.398 174.900 0.018 0.000 1.325 11 G CA -0.383 44.739 45.100 0.035 0.000 1.146 11 G HN 0.760 nan 8.290 nan 0.000 0.581 12 A N 1.402 124.256 122.820 0.057 0.000 3.159 12 A HA 0.803 5.122 4.320 -0.000 0.000 0.301 12 A C 1.207 178.937 177.584 0.243 0.000 1.271 12 A CA 0.949 53.020 52.037 0.057 0.000 0.998 12 A CB -0.126 18.943 19.000 0.116 0.000 1.101 12 A HN 1.866 nan 8.150 nan 0.000 0.610 13 G N -1.571 107.315 108.800 0.144 0.000 2.857 13 G HA2 0.408 4.368 3.960 -0.000 0.000 0.217 13 G HA3 0.408 4.368 3.960 -0.000 0.000 0.217 13 G C 0.431 175.391 174.900 0.100 0.000 1.357 13 G CA -0.363 44.818 45.100 0.134 0.000 1.033 13 G HN 0.237 nan 8.290 nan 0.000 0.571 14 Y N -1.093 119.298 120.300 0.151 0.000 2.256 14 Y HA -0.095 4.455 4.550 -0.000 0.000 0.288 14 Y C 2.797 178.747 175.900 0.083 0.000 1.155 14 Y CA 1.155 59.333 58.100 0.129 0.000 1.203 14 Y CB -0.141 38.377 38.460 0.096 0.000 0.980 14 Y HN 0.074 nan 8.280 nan 0.000 0.530 15 V N -1.392 118.626 119.914 0.173 0.000 2.391 15 V HA -0.058 4.062 4.120 -0.000 0.000 0.237 15 V C 2.506 178.594 176.094 -0.009 0.000 1.046 15 V CA 1.548 63.885 62.300 0.060 0.000 1.053 15 V CB -1.253 30.577 31.823 0.011 0.000 0.704 15 V HN 0.412 nan 8.190 nan 0.000 0.475 16 G N 0.340 109.122 108.800 -0.030 0.000 2.476 16 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.218 16 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.218 16 G C 1.609 176.418 174.900 -0.152 0.000 1.164 16 G CA 1.232 46.270 45.100 -0.103 0.000 0.768 16 G HN 0.590 nan 8.290 nan 0.000 0.560 17 G N 1.591 110.305 108.800 -0.144 0.000 2.484 17 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.215 17 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.215 17 G C 0.090 174.902 174.900 -0.146 0.000 1.219 17 G CA 1.373 46.261 45.100 -0.353 0.000 0.791 17 G HN 0.432 nan 8.290 nan 0.000 0.550 18 P HA -0.002 nan 4.420 nan 0.000 0.215 18 P C 2.109 179.403 177.300 -0.011 0.000 1.157 18 P CA 1.738 64.866 63.100 0.047 0.000 0.863 18 P CB -0.275 31.478 31.700 0.089 0.000 0.787 19 T N -0.784 113.750 114.554 -0.033 0.000 2.607 19 T HA -0.217 4.133 4.350 -0.000 0.000 0.267 19 T C 1.874 176.521 174.700 -0.089 0.000 1.049 19 T CA 1.765 63.833 62.100 -0.053 0.000 1.162 19 T CB -1.374 67.404 68.868 -0.150 0.000 0.863 19 T HN 0.131 nan 8.240 nan 0.000 0.424 20 C N 1.275 120.486 119.300 -0.149 0.000 2.440 20 C HA -0.004 4.456 4.460 -0.000 0.000 0.278 20 C C 3.217 178.118 174.990 -0.148 0.000 1.295 20 C CA 0.657 59.584 59.018 -0.152 0.000 1.738 20 C CB -1.223 26.398 27.740 -0.197 0.000 1.987 20 C HN 0.560 nan 8.230 nan 0.000 0.492 21 S N 0.891 116.515 115.700 -0.126 0.000 2.368 21 S HA -0.130 4.340 4.470 -0.000 0.000 0.225 21 S C 1.882 176.424 174.600 -0.097 0.000 1.030 21 S CA 1.379 59.527 58.200 -0.087 0.000 0.999 21 S CB -0.360 62.840 63.200 -0.000 0.000 0.844 21 S HN 0.498 nan 8.310 nan 0.000 0.459 22 V N 2.106 121.957 119.914 -0.105 0.000 2.427 22 V HA -0.126 3.994 4.120 -0.000 0.000 0.248 22 V C 2.045 177.948 176.094 -0.319 0.000 1.051 22 V CA 1.325 63.520 62.300 -0.176 0.000 1.048 22 V CB -0.670 31.070 31.823 -0.139 0.000 0.666 22 V HN 0.445 nan 8.190 nan 0.000 0.456 23 I N 0.411 120.845 120.570 -0.227 0.000 2.179 23 I HA -0.250 3.919 4.170 -0.000 0.000 0.242 23 I C 2.690 178.676 176.117 -0.219 0.000 1.088 23 I CA 1.491 62.650 61.300 -0.235 0.000 1.357 23 I CB -0.608 37.355 38.000 -0.061 0.000 1.051 23 I HN 0.298 nan 8.210 nan 0.000 0.409 24 A N 0.218 122.945 122.820 -0.155 0.000 1.865 24 A HA -0.331 3.989 4.320 -0.000 0.000 0.217 24 A C 2.205 179.725 177.584 -0.107 0.000 1.191 24 A CA 2.261 54.221 52.037 -0.128 0.000 0.623 24 A CB -1.089 17.832 19.000 -0.131 0.000 0.826 24 A HN 0.500 nan 8.150 nan 0.000 0.444 25 H N -0.940 118.005 119.070 -0.209 0.000 2.387 25 H HA -0.067 4.489 4.556 -0.000 0.000 0.299 25 H C 1.803 176.996 175.328 -0.225 0.000 1.099 25 H CA 2.211 58.141 56.048 -0.196 0.000 1.315 25 H CB -0.059 29.585 29.762 -0.197 0.000 1.380 25 H HN 0.328 nan 8.280 nan 0.000 0.513 26 M N -1.036 118.353 119.600 -0.352 0.000 2.510 26 M HA 0.089 4.568 4.480 -0.000 0.000 0.256 26 M C 0.361 176.549 176.300 -0.187 0.000 1.132 26 M CA 0.330 55.393 55.300 -0.395 0.000 1.105 26 M CB -0.111 31.991 32.600 -0.830 0.000 1.375 26 M HN 0.248 nan 8.290 nan 0.000 0.477 27 C N 1.856 121.031 119.300 -0.207 0.000 2.787 27 C HA 0.313 4.773 4.460 -0.000 0.000 0.265 27 C C -1.237 173.670 174.990 -0.138 0.000 1.190 27 C CA -1.067 57.828 59.018 -0.207 0.000 1.616 27 C CB -0.307 27.213 27.740 -0.367 0.000 1.732 27 C HN 0.228 nan 8.230 nan 0.000 0.433 28 P HA -0.156 nan 4.420 nan 0.000 0.222 28 P C 1.513 178.788 177.300 -0.041 0.000 1.147 28 P CA 1.422 64.482 63.100 -0.067 0.000 0.790 28 P CB 0.145 31.811 31.700 -0.056 0.000 0.780 29 E N -0.061 120.121 120.200 -0.031 0.000 2.489 29 E HA 0.000 4.350 4.350 -0.000 0.000 0.193 29 E C 0.257 176.837 176.600 -0.032 0.000 1.057 29 E CA 0.068 56.459 56.400 -0.015 0.000 0.866 29 E CB -0.386 29.320 29.700 0.010 0.000 0.916 29 E HN 0.267 nan 8.360 nan 0.000 0.500 30 I N 1.755 122.288 120.570 -0.062 0.000 2.412 30 I HA 0.292 4.462 4.170 -0.000 0.000 0.296 30 I C 0.311 176.408 176.117 -0.033 0.000 0.987 30 I CA -0.947 60.313 61.300 -0.065 0.000 1.180 30 I CB 1.699 39.630 38.000 -0.116 0.000 1.340 30 I HN -0.128 nan 8.210 nan 0.000 0.455 31 R N 6.046 126.544 120.500 -0.005 0.000 2.265 31 R HA 0.622 4.962 4.340 -0.000 0.000 0.319 31 R C -1.719 174.600 176.300 0.031 0.000 1.006 31 R CA -0.385 55.745 56.100 0.049 0.000 0.880 31 R CB 1.115 31.457 30.300 0.070 0.000 1.077 31 R HN 0.457 nan 8.270 nan 0.000 0.454 32 V N 4.053 123.989 119.914 0.036 0.000 2.407 32 V HA 0.355 4.474 4.120 -0.000 0.000 0.291 32 V C -0.549 175.519 176.094 -0.043 0.000 1.018 32 V CA -0.687 61.596 62.300 -0.028 0.000 0.842 32 V CB 1.887 33.653 31.823 -0.096 0.000 0.996 32 V HN 0.831 nan 8.190 nan 0.000 0.426 33 T N 4.304 118.825 114.554 -0.055 0.000 2.864 33 T HA 0.489 4.839 4.350 -0.000 0.000 0.299 33 T C -0.302 174.304 174.700 -0.157 0.000 1.011 33 T CA -0.372 61.682 62.100 -0.077 0.000 0.975 33 T CB 1.485 70.341 68.868 -0.019 0.000 0.962 33 T HN 0.327 nan 8.240 nan 0.000 0.448 34 V N 4.706 124.422 119.914 -0.330 0.000 2.439 34 V HA 0.663 4.783 4.120 -0.000 0.000 0.282 34 V C 0.366 176.399 176.094 -0.102 0.000 1.039 34 V CA -0.644 61.495 62.300 -0.268 0.000 0.913 34 V CB 1.216 32.747 31.823 -0.487 0.000 0.983 34 V HN 0.772 nan 8.190 nan 0.000 0.460 35 V N 1.144 121.041 119.914 -0.028 0.000 3.001 35 V HA 0.864 4.984 4.120 -0.000 0.000 0.314 35 V C -0.987 175.137 176.094 0.050 0.000 1.099 35 V CA -0.537 61.781 62.300 0.030 0.000 0.989 35 V CB 2.274 34.112 31.823 0.026 0.000 1.040 35 V HN 0.868 nan 8.190 nan 0.000 0.434 36 D N 0.331 120.775 120.400 0.073 0.000 2.663 36 D HA 0.282 4.922 4.640 -0.000 0.000 0.233 36 D C 0.455 176.801 176.300 0.076 0.000 1.240 36 D CA 0.195 54.242 54.000 0.079 0.000 0.774 36 D CB 2.709 43.574 40.800 0.108 0.000 1.443 36 D HN 0.821 nan 8.370 nan 0.000 0.441 37 V N 0.691 120.646 119.914 0.068 0.000 2.871 37 V HA 0.102 4.222 4.120 -0.000 0.000 0.256 37 V C 0.888 177.020 176.094 0.063 0.000 1.082 37 V CA 0.701 63.039 62.300 0.063 0.000 1.105 37 V CB -0.399 31.462 31.823 0.062 0.000 0.713 37 V HN 0.443 nan 8.190 nan 0.000 0.473 38 N N 1.605 120.346 118.700 0.068 0.000 2.421 38 N HA 0.024 4.764 4.740 -0.000 0.000 0.260 38 N C 0.878 176.432 175.510 0.073 0.000 1.173 38 N CA 0.364 53.452 53.050 0.064 0.000 0.960 38 N CB 1.132 39.656 38.487 0.061 0.000 1.273 38 N HN 0.519 nan 8.380 nan 0.000 0.497 39 E N 1.083 121.319 120.200 0.060 0.000 2.097 39 E HA -0.204 4.146 4.350 -0.000 0.000 0.196 39 E C 1.635 178.269 176.600 0.056 0.000 1.000 39 E CA 1.503 57.940 56.400 0.061 0.000 0.804 39 E CB 0.009 29.736 29.700 0.046 0.000 0.740 39 E HN 0.617 nan 8.360 nan 0.000 0.454 40 S N -0.226 115.496 115.700 0.038 0.000 2.382 40 S HA -0.197 4.273 4.470 -0.000 0.000 0.228 40 S C 2.003 176.607 174.600 0.006 0.000 1.027 40 S CA 1.484 59.694 58.200 0.016 0.000 0.991 40 S CB -0.101 63.101 63.200 0.003 0.000 0.823 40 S HN 0.194 nan 8.310 nan 0.000 0.469 41 R N 0.248 120.770 120.500 0.037 0.000 2.073 41 R HA 0.072 4.411 4.340 -0.000 0.000 0.229 41 R C 2.099 178.488 176.300 0.148 0.000 1.120 41 R CA 1.556 57.682 56.100 0.044 0.000 0.967 41 R CB -0.336 30.026 30.300 0.104 0.000 0.862 41 R HN 0.389 nan 8.270 nan 0.000 0.436 42 I N 1.834 122.529 120.570 0.210 0.000 2.226 42 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 42 I C 1.501 177.715 176.117 0.162 0.000 1.100 42 I CA 1.271 62.732 61.300 0.269 0.000 1.374 42 I CB -1.431 36.696 38.000 0.211 0.000 1.057 42 I HN 0.261 nan 8.210 nan 0.000 0.413 43 N N 1.574 120.324 118.700 0.082 0.000 2.069 43 N HA -0.159 4.581 4.740 -0.000 0.000 0.191 43 N C 1.949 177.444 175.510 -0.025 0.000 1.031 43 N CA 1.835 54.906 53.050 0.035 0.000 0.852 43 N CB -0.412 38.084 38.487 0.016 0.000 1.018 43 N HN 0.380 nan 8.380 nan 0.000 0.423 44 A N 0.188 122.955 122.820 -0.088 0.000 1.902 44 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 44 A C 2.104 179.502 177.584 -0.310 0.000 1.181 44 A CA 1.132 53.045 52.037 -0.208 0.000 0.623 44 A CB -1.195 17.636 19.000 -0.281 0.000 0.818 44 A HN 0.437 nan 8.150 nan 0.000 0.443 45 W N 0.299 121.414 121.300 -0.307 0.000 2.350 45 W HA -0.129 4.531 4.660 -0.000 0.000 0.289 45 W C 1.617 177.800 176.519 -0.560 0.000 1.215 45 W CA 1.118 58.080 57.345 -0.639 0.000 1.236 45 W CB -0.102 28.663 29.460 -1.158 0.000 1.130 45 W HN 0.308 nan 8.180 nan 0.000 0.541 46 N N -0.269 118.391 118.700 -0.067 0.000 2.336 46 N HA -0.001 4.739 4.740 -0.000 0.000 0.189 46 N C 0.518 176.023 175.510 -0.007 0.000 1.113 46 N CA 0.694 53.753 53.050 0.015 0.000 0.858 46 N CB 0.050 38.598 38.487 0.101 0.000 0.970 46 N HN 0.036 nan 8.380 nan 0.000 0.471 47 S N -0.036 115.629 115.700 -0.058 0.000 2.758 47 S HA 0.512 4.982 4.470 -0.000 0.000 0.292 47 S C -1.942 172.617 174.600 -0.069 0.000 1.131 47 S CA -1.055 57.111 58.200 -0.057 0.000 0.997 47 S CB 1.907 65.062 63.200 -0.075 0.000 1.111 47 S HN -0.231 nan 8.310 nan 0.000 0.552 48 P HA 0.175 nan 4.420 nan 0.000 0.233 48 P C -0.290 176.964 177.300 -0.076 0.000 1.167 48 P CA 0.735 63.803 63.100 -0.054 0.000 0.770 48 P CB -0.041 31.636 31.700 -0.038 0.000 0.837 49 T N 0.869 115.359 114.554 -0.107 0.000 3.060 49 T HA 0.348 4.698 4.350 -0.000 0.000 0.367 49 T C 0.147 174.721 174.700 -0.210 0.000 1.229 49 T CA -0.545 61.478 62.100 -0.127 0.000 1.104 49 T CB 0.107 68.910 68.868 -0.107 0.000 1.083 49 T HN -0.130 nan 8.240 nan 0.000 0.524 50 L N 4.241 125.309 121.223 -0.258 0.000 2.467 50 L HA 0.218 4.557 4.340 -0.000 0.000 0.270 50 L C -0.689 175.872 176.870 -0.515 0.000 1.205 50 L CA -1.612 52.935 54.840 -0.488 0.000 0.828 50 L CB 0.501 42.261 42.059 -0.498 0.000 1.101 50 L HN 0.313 nan 8.230 nan 0.000 0.479 51 P HA 0.026 nan 4.420 nan 0.000 0.236 51 P C -0.144 176.907 177.300 -0.415 0.000 1.177 51 P CA 0.898 63.668 63.100 -0.549 0.000 0.773 51 P CB 0.099 31.409 31.700 -0.651 0.000 0.878 52 I N -4.784 115.498 120.570 -0.480 0.000 2.730 52 I HA 0.527 4.697 4.170 -0.000 0.000 0.298 52 I C -1.302 174.771 176.117 -0.072 0.000 1.089 52 I CA -1.804 59.333 61.300 -0.272 0.000 1.041 52 I CB 2.219 39.895 38.000 -0.541 0.000 1.235 52 I HN -0.349 nan 8.210 nan 0.000 0.423 53 Y N 4.039 124.331 120.300 -0.013 0.000 2.341 53 Y HA 0.581 5.131 4.550 -0.000 0.000 0.340 53 Y C -0.700 175.256 175.900 0.094 0.000 0.997 53 Y CA -0.117 58.002 58.100 0.031 0.000 1.149 53 Y CB 0.838 39.346 38.460 0.079 0.000 1.171 53 Y HN 0.585 nan 8.280 nan 0.000 0.494 54 E N 7.837 127.703 120.200 -0.556 0.000 2.278 54 E HA 0.297 4.647 4.350 -0.000 0.000 0.272 54 E C -2.891 173.376 176.600 -0.554 0.000 0.890 54 E CA -2.373 53.735 56.400 -0.486 0.000 0.770 54 E CB 2.073 31.687 29.700 -0.143 0.000 1.212 54 E HN 0.452 nan 8.360 nan 0.000 0.415 55 P HA 0.104 nan 4.420 nan 0.000 0.262 55 P C 0.766 177.993 177.300 -0.123 0.000 1.199 55 P CA 0.938 63.888 63.100 -0.250 0.000 0.763 55 P CB 0.463 32.082 31.700 -0.135 0.000 0.790 56 G N 2.632 111.389 108.800 -0.071 0.000 2.225 56 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.254 56 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.254 56 G C 0.711 175.575 174.900 -0.060 0.000 0.988 56 G CA 0.295 45.364 45.100 -0.051 0.000 0.625 56 G HN 0.551 nan 8.290 nan 0.000 0.527 57 L N 1.292 122.479 121.223 -0.059 0.000 2.046 57 L HA 0.253 4.593 4.340 -0.000 0.000 0.208 57 L C 2.575 179.442 176.870 -0.005 0.000 1.077 57 L CA 3.208 58.036 54.840 -0.021 0.000 0.747 57 L CB -0.595 41.468 42.059 0.006 0.000 0.896 57 L HN 0.397 nan 8.230 nan 0.000 0.432 58 K N -0.645 119.748 120.400 -0.011 0.000 2.063 58 K HA -0.243 4.077 4.320 -0.000 0.000 0.208 58 K C 1.911 178.500 176.600 -0.019 0.000 1.048 58 K CA 1.902 58.186 56.287 -0.005 0.000 0.928 58 K CB -0.017 32.484 32.500 0.000 0.000 0.713 58 K HN 0.335 nan 8.250 nan 0.000 0.442 59 E N 0.022 120.200 120.200 -0.038 0.000 2.106 59 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 59 E C 1.893 178.423 176.600 -0.116 0.000 0.984 59 E CA 1.099 57.464 56.400 -0.059 0.000 0.806 59 E CB -0.026 29.640 29.700 -0.056 0.000 0.750 59 E HN 0.082 nan 8.360 nan 0.000 0.458 60 V N 0.023 119.841 119.914 -0.161 0.000 2.307 60 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 60 V C 2.222 178.229 176.094 -0.144 0.000 1.045 60 V CA 1.270 63.395 62.300 -0.290 0.000 1.024 60 V CB -0.458 31.195 31.823 -0.284 0.000 0.651 60 V HN 0.129 nan 8.190 nan 0.000 0.449 61 V N 0.121 120.022 119.914 -0.022 0.000 2.332 61 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 61 V C 2.389 178.507 176.094 0.039 0.000 1.055 61 V CA 2.226 64.571 62.300 0.075 0.000 1.038 61 V CB -0.648 31.279 31.823 0.172 0.000 0.651 61 V HN 0.637 nan 8.190 nan 0.000 0.450 62 E N 0.281 120.485 120.200 0.007 0.000 2.285 62 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 62 E C 2.238 178.834 176.600 -0.007 0.000 0.997 62 E CA 1.119 57.520 56.400 0.003 0.000 0.845 62 E CB -0.127 29.573 29.700 -0.001 0.000 0.782 62 E HN 0.760 nan 8.360 nan 0.000 0.491 63 S N 0.105 115.793 115.700 -0.021 0.000 2.515 63 S HA -0.082 4.388 4.470 -0.000 0.000 0.231 63 S C 1.937 176.556 174.600 0.031 0.000 0.987 63 S CA 0.774 58.983 58.200 0.015 0.000 0.936 63 S CB -0.351 62.875 63.200 0.043 0.000 0.766 63 S HN 0.459 nan 8.310 nan 0.000 0.528 64 C N -0.940 118.359 119.300 -0.003 0.000 4.015 64 C HA 0.503 4.963 4.460 -0.000 0.000 0.323 64 C C 0.616 175.520 174.990 -0.143 0.000 1.724 64 C CA -1.119 57.869 59.018 -0.050 0.000 1.828 64 C CB -1.345 26.379 27.740 -0.027 0.000 3.083 64 C HN 0.473 nan 8.230 nan 0.000 0.640 65 R N 1.768 122.211 120.500 -0.095 0.000 2.522 65 R HA 0.429 4.769 4.340 -0.000 0.000 0.284 65 R C 1.446 177.611 176.300 -0.226 0.000 1.032 65 R CA 1.709 57.726 56.100 -0.138 0.000 1.049 65 R CB -0.047 30.291 30.300 0.064 0.000 0.956 65 R HN 1.106 nan 8.270 nan 0.000 0.422 66 G N 3.272 111.758 108.800 -0.523 0.000 2.176 66 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.253 66 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.253 66 G C 0.511 175.274 174.900 -0.230 0.000 0.979 66 G CA 0.627 45.532 45.100 -0.326 0.000 0.641 66 G HN 0.655 nan 8.290 nan 0.000 0.530 67 K N -0.380 119.815 120.400 -0.343 0.000 2.324 67 K HA 0.163 4.483 4.320 -0.000 0.000 0.222 67 K C 1.588 178.126 176.600 -0.103 0.000 1.107 67 K CA 0.706 56.923 56.287 -0.116 0.000 0.873 67 K CB -0.030 32.423 32.500 -0.078 0.000 1.270 67 K HN 0.320 nan 8.250 nan 0.000 0.456 68 N N 0.647 119.210 118.700 -0.228 0.000 2.184 68 N HA 0.078 4.817 4.740 -0.000 0.000 0.234 68 N C -0.697 174.659 175.510 -0.257 0.000 1.282 68 N CA -0.196 52.793 53.050 -0.101 0.000 0.877 68 N CB 0.459 38.930 38.487 -0.026 0.000 1.184 68 N HN 0.044 nan 8.380 nan 0.000 0.510 69 L N 0.502 121.349 121.223 -0.626 0.000 2.362 69 L HA 0.729 5.069 4.340 -0.000 0.000 0.275 69 L C -1.853 174.471 176.870 -0.909 0.000 0.998 69 L CA -0.544 53.958 54.840 -0.563 0.000 0.820 69 L CB 1.193 43.038 42.059 -0.356 0.000 1.270 69 L HN -0.064 nan 8.230 nan 0.000 0.415 70 F N 4.397 124.122 119.950 -0.375 0.000 2.591 70 F HA 0.606 5.132 4.527 -0.000 0.000 0.309 70 F C -1.020 174.483 175.800 -0.496 0.000 1.098 70 F CA -0.387 57.458 58.000 -0.259 0.000 0.937 70 F CB 2.013 40.936 39.000 -0.128 0.000 1.250 70 F HN 0.176 nan 8.300 nan 0.000 0.447 71 F N 1.404 121.437 119.950 0.137 0.000 2.507 71 F HA 0.646 5.173 4.527 -0.000 0.000 0.328 71 F C -0.014 175.839 175.800 0.088 0.000 1.136 71 F CA -0.637 57.391 58.000 0.048 0.000 0.930 71 F CB 2.204 41.230 39.000 0.044 0.000 1.166 71 F HN 0.364 nan 8.300 nan 0.000 0.436 72 S N 0.260 116.082 115.700 0.204 0.000 2.556 72 S HA 0.437 4.906 4.470 -0.000 0.000 0.271 72 S C 0.326 174.989 174.600 0.106 0.000 1.135 72 S CA -0.160 58.122 58.200 0.136 0.000 0.858 72 S CB 1.462 64.710 63.200 0.079 0.000 1.114 72 S HN 0.740 nan 8.310 nan 0.000 0.468 73 T N 0.118 114.725 114.554 0.088 0.000 3.107 73 T HA 0.185 4.535 4.350 -0.000 0.000 0.249 73 T C 0.601 175.331 174.700 0.049 0.000 1.096 73 T CA 0.041 62.184 62.100 0.071 0.000 1.012 73 T CB -0.421 68.488 68.868 0.067 0.000 0.977 73 T HN 0.412 nan 8.240 nan 0.000 0.527 74 N N 1.823 120.547 118.700 0.039 0.000 2.971 74 N HA 0.196 4.936 4.740 -0.000 0.000 0.294 74 N C 0.906 176.427 175.510 0.018 0.000 1.210 74 N CA -0.381 52.682 53.050 0.022 0.000 1.157 74 N CB -0.726 37.766 38.487 0.008 0.000 1.450 74 N HN 0.479 nan 8.380 nan 0.000 0.527 75 I N 0.414 120.999 120.570 0.026 0.000 2.127 75 I HA -0.313 3.857 4.170 -0.000 0.000 0.241 75 I C 1.408 177.533 176.117 0.013 0.000 1.075 75 I CA 1.124 62.438 61.300 0.024 0.000 1.334 75 I CB -0.037 37.985 38.000 0.036 0.000 1.040 75 I HN 0.269 nan 8.210 nan 0.000 0.405 76 D N 0.834 121.241 120.400 0.011 0.000 2.123 76 D HA -0.180 4.459 4.640 -0.000 0.000 0.196 76 D C 1.822 178.117 176.300 -0.008 0.000 0.992 76 D CA 1.368 55.370 54.000 0.003 0.000 0.833 76 D CB -0.419 40.383 40.800 0.003 0.000 0.954 76 D HN 0.320 nan 8.370 nan 0.000 0.455 77 D N 0.170 120.563 120.400 -0.012 0.000 2.123 77 D HA -0.013 4.627 4.640 -0.000 0.000 0.200 77 D C 2.052 178.334 176.300 -0.029 0.000 0.976 77 D CA 1.198 55.185 54.000 -0.023 0.000 0.831 77 D CB -0.398 40.385 40.800 -0.028 0.000 0.974 77 D HN 0.112 nan 8.370 nan 0.000 0.469 78 A N 0.812 123.616 122.820 -0.027 0.000 1.917 78 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 78 A C 2.336 179.905 177.584 -0.025 0.000 1.182 78 A CA 1.120 53.140 52.037 -0.029 0.000 0.633 78 A CB -0.803 18.184 19.000 -0.020 0.000 0.819 78 A HN 0.233 nan 8.150 nan 0.000 0.448 79 I N -0.758 119.802 120.570 -0.017 0.000 2.252 79 I HA -0.232 3.938 4.170 -0.000 0.000 0.245 79 I C 2.701 178.798 176.117 -0.032 0.000 1.102 79 I CA 1.690 62.977 61.300 -0.022 0.000 1.385 79 I CB -0.348 37.643 38.000 -0.014 0.000 1.064 79 I HN 0.365 nan 8.210 nan 0.000 0.414 80 K N 1.074 121.457 120.400 -0.029 0.000 2.026 80 K HA -0.186 4.134 4.320 -0.000 0.000 0.208 80 K C 1.752 178.335 176.600 -0.027 0.000 1.048 80 K CA 1.836 58.105 56.287 -0.031 0.000 0.929 80 K CB -0.500 31.984 32.500 -0.026 0.000 0.713 80 K HN 0.534 nan 8.250 nan 0.000 0.439 81 E N -0.276 119.907 120.200 -0.028 0.000 2.347 81 E HA 0.115 4.465 4.350 -0.000 0.000 0.196 81 E C 0.538 177.130 176.600 -0.014 0.000 1.008 81 E CA 0.393 56.779 56.400 -0.024 0.000 0.852 81 E CB 0.059 29.737 29.700 -0.037 0.000 0.783 81 E HN 0.533 nan 8.360 nan 0.000 0.505 82 A N 1.365 124.173 122.820 -0.021 0.000 2.331 82 A HA 0.080 4.400 4.320 -0.000 0.000 0.283 82 A C 0.397 177.980 177.584 -0.001 0.000 1.142 82 A CA -0.540 51.485 52.037 -0.019 0.000 0.812 82 A CB 0.564 19.543 19.000 -0.036 0.000 1.074 82 A HN -0.052 nan 8.150 nan 0.000 0.497 83 D N 0.306 120.728 120.400 0.037 0.000 2.183 83 D HA -0.011 4.629 4.640 -0.000 0.000 0.203 83 D C 0.194 176.502 176.300 0.013 0.000 0.969 83 D CA 1.134 55.206 54.000 0.121 0.000 0.842 83 D CB 0.227 41.165 40.800 0.230 0.000 0.957 83 D HN 0.325 nan 8.370 nan 0.000 0.484 84 L N 1.079 122.264 121.223 -0.064 0.000 2.470 84 L HA 0.338 4.677 4.340 -0.000 0.000 0.268 84 L C -1.572 175.156 176.870 -0.236 0.000 0.964 84 L CA -0.686 54.045 54.840 -0.182 0.000 0.839 84 L CB 2.018 43.939 42.059 -0.230 0.000 1.276 84 L HN -0.366 nan 8.230 nan 0.000 0.403 85 V N 5.640 125.414 119.914 -0.232 0.000 2.378 85 V HA 0.435 4.555 4.120 -0.000 0.000 0.288 85 V C -0.257 175.740 176.094 -0.162 0.000 1.016 85 V CA -0.501 61.714 62.300 -0.141 0.000 0.840 85 V CB 1.337 33.133 31.823 -0.046 0.000 0.994 85 V HN 0.537 nan 8.190 nan 0.000 0.431 86 F N 4.606 124.564 119.950 0.014 0.000 2.396 86 F HA 0.529 5.056 4.527 -0.000 0.000 0.343 86 F C 0.447 176.260 175.800 0.022 0.000 1.104 86 F CA -0.612 57.400 58.000 0.020 0.000 1.161 86 F CB 1.034 40.041 39.000 0.011 0.000 1.146 86 F HN 0.272 nan 8.300 nan 0.000 0.522 87 I N 2.454 123.165 120.570 0.236 0.000 2.328 87 I HA 0.179 4.349 4.170 -0.000 0.000 0.287 87 I C 0.175 176.365 176.117 0.122 0.000 1.012 87 I CA -0.111 61.276 61.300 0.145 0.000 1.195 87 I CB 1.344 39.408 38.000 0.107 0.000 1.350 87 I HN 0.513 nan 8.210 nan 0.000 0.464 88 S N 6.607 122.360 115.700 0.088 0.000 2.422 88 S HA 0.327 4.796 4.470 -0.000 0.000 0.226 88 S C -0.161 174.461 174.600 0.037 0.000 1.242 88 S CA -0.588 57.638 58.200 0.044 0.000 1.231 88 S CB -0.168 63.036 63.200 0.007 0.000 1.067 88 S HN 0.426 nan 8.310 nan 0.000 0.462 89 V N -0.096 119.844 119.914 0.043 0.000 3.336 89 V HA 0.664 4.784 4.120 -0.000 0.000 0.314 89 V C 0.296 176.391 176.094 0.002 0.000 1.088 89 V CA -1.167 61.145 62.300 0.021 0.000 1.033 89 V CB 0.595 32.445 31.823 0.045 0.000 1.181 89 V HN 0.383 nan 8.190 nan 0.000 0.449 90 N N 1.513 120.170 118.700 -0.071 0.000 2.530 90 N HA 0.344 5.084 4.740 -0.000 0.000 0.273 90 N C -0.027 175.500 175.510 0.029 0.000 1.173 90 N CA 0.583 53.589 53.050 -0.073 0.000 0.967 90 N CB 1.262 39.644 38.487 -0.175 0.000 1.109 90 N HN 1.056 nan 8.380 nan 0.000 0.453 91 T N -0.756 113.827 114.554 0.048 0.000 3.401 91 T HA 0.339 4.689 4.350 -0.000 0.000 0.341 91 T C -2.659 172.080 174.700 0.066 0.000 1.674 91 T CA -1.620 60.533 62.100 0.089 0.000 1.600 91 T CB 0.961 69.862 68.868 0.056 0.000 0.974 91 T HN 0.238 nan 8.240 nan 0.000 0.672 92 P HA 0.231 nan 4.420 nan 0.000 0.275 92 P C 0.072 177.399 177.300 0.046 0.000 1.228 92 P CA -0.016 63.123 63.100 0.066 0.000 0.786 92 P CB 0.596 32.356 31.700 0.100 0.000 0.927 93 T N 2.748 117.306 114.554 0.007 0.000 2.933 93 T HA 0.004 4.354 4.350 -0.000 0.000 0.306 93 T C 0.629 175.294 174.700 -0.059 0.000 1.045 93 T CA 0.179 62.255 62.100 -0.040 0.000 1.143 93 T CB -0.106 68.736 68.868 -0.043 0.000 1.003 93 T HN 0.276 nan 8.240 nan 0.000 0.540 94 K N 2.021 122.321 120.400 -0.166 0.000 2.401 94 K HA 0.120 4.439 4.320 -0.000 0.000 0.278 94 K C 1.393 177.834 176.600 -0.266 0.000 1.018 94 K CA -0.005 56.079 56.287 -0.338 0.000 0.981 94 K CB 0.403 32.526 32.500 -0.628 0.000 0.933 94 K HN 0.767 nan 8.250 nan 0.000 0.477 95 T N -0.316 114.157 114.554 -0.134 0.000 3.134 95 T HA 0.151 4.501 4.350 -0.000 0.000 0.260 95 T C -0.352 174.400 174.700 0.086 0.000 1.027 95 T CA -0.368 61.745 62.100 0.022 0.000 0.913 95 T CB -0.347 68.602 68.868 0.135 0.000 1.046 95 T HN 0.577 nan 8.240 nan 0.000 0.553 96 Y N -2.209 118.091 120.300 0.000 0.000 2.670 96 Y HA 0.695 5.245 4.550 -0.001 0.000 0.334 96 Y C 0.501 176.402 175.900 0.002 0.000 1.185 96 Y CA -1.201 56.901 58.100 0.004 0.000 1.053 96 Y CB 0.697 39.160 38.460 0.006 0.000 1.298 96 Y HN 0.361 nan 8.280 nan 0.000 0.459 97 G N 1.087 109.994 108.800 0.180 0.000 2.692 97 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.248 97 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.248 97 G C -0.491 174.410 174.900 0.002 0.000 1.340 97 G CA -0.184 44.986 45.100 0.117 0.000 0.896 97 G HN 0.900 nan 8.290 nan 0.000 0.570 98 M N 0.802 120.418 119.600 0.026 0.000 2.245 98 M HA 0.387 4.867 4.480 -0.000 0.000 0.330 98 M C 1.708 177.984 176.300 -0.040 0.000 1.098 98 M CA 1.597 56.917 55.300 0.032 0.000 1.172 98 M CB 0.459 33.111 32.600 0.085 0.000 1.467 98 M HN 2.402 nan 8.290 nan 0.000 0.454 99 G N 0.995 109.767 108.800 -0.047 0.000 2.179 99 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.260 99 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.260 99 G C 0.212 174.922 174.900 -0.317 0.000 0.977 99 G CA 0.341 45.235 45.100 -0.344 0.000 0.641 99 G HN 0.720 nan 8.290 nan 0.000 0.533 100 K N 0.906 121.186 120.400 -0.200 0.000 2.466 100 K HA 0.350 4.670 4.320 -0.000 0.000 0.278 100 K C 1.585 178.101 176.600 -0.140 0.000 1.048 100 K CA 1.122 57.302 56.287 -0.179 0.000 1.088 100 K CB -0.525 31.924 32.500 -0.085 0.000 0.884 100 K HN 1.585 nan 8.250 nan 0.000 0.478 101 G N 3.872 112.588 108.800 -0.140 0.000 2.179 101 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.257 101 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.257 101 G C 0.500 175.337 174.900 -0.104 0.000 1.010 101 G CA 0.746 45.792 45.100 -0.089 0.000 0.736 101 G HN 0.807 nan 8.290 nan 0.000 0.513 102 R N -1.085 119.296 120.500 -0.197 0.000 2.840 102 R HA 0.478 4.818 4.340 -0.000 0.000 0.173 102 R C 1.193 177.288 176.300 -0.341 0.000 0.791 102 R CA 0.438 56.398 56.100 -0.233 0.000 1.069 102 R CB 0.083 30.230 30.300 -0.255 0.000 1.537 102 R HN 0.648 nan 8.270 nan 0.000 0.609 103 A N 1.640 124.137 122.820 -0.539 0.000 2.302 103 A HA 0.747 5.067 4.320 -0.000 0.000 0.285 103 A C -0.161 177.290 177.584 -0.222 0.000 1.105 103 A CA -0.231 51.528 52.037 -0.464 0.000 0.816 103 A CB 0.819 19.434 19.000 -0.643 0.000 1.067 103 A HN 0.342 nan 8.150 nan 0.000 0.489 104 A N 0.490 123.244 122.820 -0.109 0.000 2.264 104 A HA 0.601 4.921 4.320 -0.000 0.000 0.304 104 A C -0.531 177.041 177.584 -0.020 0.000 1.100 104 A CA -0.350 51.660 52.037 -0.045 0.000 0.839 104 A CB 0.527 19.524 19.000 -0.004 0.000 1.121 104 A HN 0.769 nan 8.150 nan 0.000 0.496 105 D N 0.815 121.232 120.400 0.028 0.000 2.425 105 D HA 0.394 5.034 4.640 -0.000 0.000 0.240 105 D C 0.462 176.812 176.300 0.084 0.000 1.080 105 D CA -0.287 53.748 54.000 0.060 0.000 0.836 105 D CB 0.995 41.862 40.800 0.111 0.000 1.125 105 D HN 0.342 nan 8.370 nan 0.000 0.525 106 L N 3.763 125.020 121.223 0.056 0.000 2.552 106 L HA -0.014 4.326 4.340 -0.000 0.000 0.227 106 L C 2.428 179.314 176.870 0.027 0.000 1.146 106 L CA 0.206 55.075 54.840 0.049 0.000 0.858 106 L CB -0.172 41.904 42.059 0.028 0.000 0.969 106 L HN 0.464 nan 8.230 nan 0.000 0.451 107 K N 0.945 121.331 120.400 -0.022 0.000 2.071 107 K HA -0.297 4.022 4.320 -0.000 0.000 0.217 107 K C 1.921 178.412 176.600 -0.182 0.000 1.054 107 K CA 2.362 58.554 56.287 -0.157 0.000 0.937 107 K CB -0.489 31.837 32.500 -0.291 0.000 0.719 107 K HN 0.195 nan 8.250 nan 0.000 0.454 108 Y N 0.614 120.937 120.300 0.038 0.000 2.373 108 Y HA -0.021 4.529 4.550 0.000 0.000 0.293 108 Y C 2.201 178.119 175.900 0.031 0.000 1.129 108 Y CA 0.928 59.050 58.100 0.036 0.000 1.226 108 Y CB -0.079 38.405 38.460 0.041 0.000 1.000 108 Y HN 0.073 nan 8.280 nan 0.000 0.549 109 I N -0.204 120.457 120.570 0.152 0.000 2.286 109 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 109 I C 2.082 178.223 176.117 0.040 0.000 1.104 109 I CA 1.265 62.617 61.300 0.087 0.000 1.397 109 I CB -0.196 37.840 38.000 0.060 0.000 1.072 109 I HN 0.267 nan 8.210 nan 0.000 0.417 110 E N 0.883 121.093 120.200 0.016 0.000 2.051 110 E HA -0.242 4.108 4.350 -0.000 0.000 0.192 110 E C 2.328 178.941 176.600 0.021 0.000 0.991 110 E CA 1.338 57.736 56.400 -0.004 0.000 0.799 110 E CB -0.206 29.484 29.700 -0.016 0.000 0.748 110 E HN 0.507 nan 8.360 nan 0.000 0.449 111 A N 1.115 123.951 122.820 0.027 0.000 1.883 111 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 111 A C 2.503 180.133 177.584 0.076 0.000 1.186 111 A CA 1.540 53.603 52.037 0.045 0.000 0.624 111 A CB -1.061 17.967 19.000 0.047 0.000 0.822 111 A HN 0.383 nan 8.150 nan 0.000 0.444 112 C N -1.116 118.242 119.300 0.095 0.000 2.413 112 C HA 0.013 4.473 4.460 -0.000 0.000 0.277 112 C C 3.323 178.384 174.990 0.119 0.000 1.265 112 C CA 0.809 59.889 59.018 0.103 0.000 1.752 112 C CB -1.451 26.351 27.740 0.105 0.000 1.998 112 C HN 0.707 nan 8.230 nan 0.000 0.489 113 A N 0.573 123.457 122.820 0.107 0.000 1.877 113 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 113 A C 2.222 179.961 177.584 0.257 0.000 1.186 113 A CA 1.484 53.628 52.037 0.180 0.000 0.620 113 A CB -0.513 18.468 19.000 -0.032 0.000 0.822 113 A HN 0.667 nan 8.150 nan 0.000 0.443 114 R N -1.198 119.387 120.500 0.141 0.000 2.073 114 R HA -0.148 4.192 4.340 -0.000 0.000 0.234 114 R C 2.459 178.813 176.300 0.090 0.000 1.134 114 R CA 1.658 57.826 56.100 0.112 0.000 0.952 114 R CB -0.321 30.018 30.300 0.066 0.000 0.850 114 R HN 0.431 nan 8.270 nan 0.000 0.433 115 R N 1.107 121.655 120.500 0.081 0.000 2.117 115 R HA -0.116 4.224 4.340 -0.000 0.000 0.243 115 R C 1.962 178.292 176.300 0.051 0.000 1.143 115 R CA 1.475 57.612 56.100 0.061 0.000 0.968 115 R CB -0.449 29.890 30.300 0.064 0.000 0.863 115 R HN 0.231 nan 8.270 nan 0.000 0.444 116 I N -1.045 119.573 120.570 0.080 0.000 2.202 116 I HA -0.240 3.930 4.170 -0.000 0.000 0.242 116 I C 2.236 178.323 176.117 -0.050 0.000 1.091 116 I CA 1.143 62.463 61.300 0.035 0.000 1.368 116 I CB -0.335 37.726 38.000 0.102 0.000 1.058 116 I HN 0.086 nan 8.210 nan 0.000 0.410 117 V N 0.458 120.352 119.914 -0.035 0.000 2.295 117 V HA -0.346 3.774 4.120 -0.000 0.000 0.246 117 V C 2.445 178.504 176.094 -0.058 0.000 1.049 117 V CA 2.377 64.613 62.300 -0.108 0.000 1.024 117 V CB -0.430 31.364 31.823 -0.047 0.000 0.648 117 V HN 0.571 nan 8.190 nan 0.000 0.447 118 Q N -0.256 119.536 119.800 -0.013 0.000 2.268 118 Q HA -0.236 4.104 4.340 -0.000 0.000 0.210 118 Q C 1.202 177.191 176.000 -0.019 0.000 0.988 118 Q CA 2.082 57.880 55.803 -0.008 0.000 0.883 118 Q CB -0.122 28.622 28.738 0.010 0.000 0.911 118 Q HN 0.698 nan 8.270 nan 0.000 0.430 119 N N -0.036 118.648 118.700 -0.027 0.000 2.282 119 N HA 0.145 4.885 4.740 -0.000 0.000 0.240 119 N C -1.132 174.348 175.510 -0.049 0.000 1.182 119 N CA 0.049 53.082 53.050 -0.029 0.000 0.874 119 N CB 1.301 39.778 38.487 -0.017 0.000 1.126 119 N HN -0.064 nan 8.380 nan 0.000 0.516 120 S N 0.369 116.026 115.700 -0.072 0.000 2.513 120 S HA 0.511 4.980 4.470 -0.000 0.000 0.299 120 S C -0.485 174.063 174.600 -0.086 0.000 1.087 120 S CA -0.719 57.422 58.200 -0.097 0.000 1.012 120 S CB 2.056 65.157 63.200 -0.164 0.000 1.044 120 S HN 0.141 nan 8.310 nan 0.000 0.485 121 N N 0.401 119.056 118.700 -0.074 0.000 2.329 121 N HA 0.646 5.386 4.740 -0.000 0.000 0.282 121 N C 0.203 175.684 175.510 -0.049 0.000 1.198 121 N CA 0.100 53.115 53.050 -0.059 0.000 0.790 121 N CB 2.121 40.586 38.487 -0.037 0.000 1.579 121 N HN 0.891 nan 8.380 nan 0.000 0.475 122 G N 0.606 109.385 108.800 -0.035 0.000 2.525 122 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.248 122 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.248 122 G C -0.977 173.928 174.900 0.009 0.000 1.238 122 G CA -0.201 44.899 45.100 0.001 0.000 0.926 122 G HN 0.547 nan 8.290 nan 0.000 0.574 123 Y N 2.694 122.926 120.300 -0.112 0.000 2.308 123 Y HA 0.659 5.209 4.550 -0.000 0.000 0.329 123 Y C 0.514 176.324 175.900 -0.149 0.000 1.111 123 Y CA 0.087 58.085 58.100 -0.170 0.000 1.179 123 Y CB 0.875 39.173 38.460 -0.270 0.000 1.201 123 Y HN 0.595 nan 8.280 nan 0.000 0.483 124 K N 6.833 126.802 120.400 -0.719 0.000 2.557 124 K HA 0.413 4.732 4.320 -0.000 0.000 0.257 124 K C -1.734 174.464 176.600 -0.670 0.000 0.933 124 K CA -0.707 55.240 56.287 -0.567 0.000 0.820 124 K CB 2.136 34.460 32.500 -0.293 0.000 1.330 124 K HN 0.572 nan 8.250 nan 0.000 0.432 125 I N 2.591 122.872 120.570 -0.482 0.000 2.315 125 I HA 0.239 4.408 4.170 -0.000 0.000 0.291 125 I C -0.466 175.543 176.117 -0.181 0.000 1.006 125 I CA -1.018 60.100 61.300 -0.304 0.000 1.265 125 I CB 1.434 39.325 38.000 -0.183 0.000 1.387 125 I HN 0.162 nan 8.210 nan 0.000 0.475 126 V N 5.569 125.439 119.914 -0.074 0.000 2.378 126 V HA 0.343 4.463 4.120 -0.000 0.000 0.288 126 V C -0.022 176.080 176.094 0.013 0.000 1.016 126 V CA -0.338 61.966 62.300 0.007 0.000 0.840 126 V CB 1.683 33.633 31.823 0.212 0.000 0.994 126 V HN 0.707 nan 8.190 nan 0.000 0.431 127 T N 3.925 118.465 114.554 -0.024 0.000 2.791 127 T HA 0.338 4.688 4.350 -0.000 0.000 0.288 127 T C -0.380 174.416 174.700 0.162 0.000 0.999 127 T CA -0.359 61.769 62.100 0.046 0.000 0.952 127 T CB 1.343 70.200 68.868 -0.019 0.000 0.938 127 T HN 0.755 nan 8.240 nan 0.000 0.444 128 E N 2.744 123.015 120.200 0.119 0.000 2.223 128 E HA 0.227 4.577 4.350 -0.000 0.000 0.282 128 E C 0.755 177.418 176.600 0.105 0.000 1.046 128 E CA -0.174 56.286 56.400 0.100 0.000 0.857 128 E CB 0.628 30.356 29.700 0.046 0.000 1.055 128 E HN 0.270 nan 8.360 nan 0.000 0.409 129 K N 2.489 122.948 120.400 0.099 0.000 2.334 129 K HA 0.010 4.330 4.320 -0.000 0.000 0.195 129 K C 1.507 178.082 176.600 -0.042 0.000 1.045 129 K CA 0.912 57.214 56.287 0.027 0.000 1.004 129 K CB 0.262 32.755 32.500 -0.012 0.000 0.837 129 K HN 0.621 nan 8.250 nan 0.000 0.510 130 S N 0.493 116.180 115.700 -0.022 0.000 2.377 130 S HA -0.001 4.469 4.470 -0.000 0.000 0.223 130 S C 1.517 176.075 174.600 -0.070 0.000 1.030 130 S CA 0.951 59.124 58.200 -0.045 0.000 0.970 130 S CB -0.070 63.121 63.200 -0.014 0.000 0.830 130 S HN 0.227 nan 8.310 nan 0.000 0.473 131 A N 0.150 122.943 122.820 -0.046 0.000 2.767 131 A HA -0.166 4.154 4.320 -0.000 0.000 0.282 131 A C 1.183 178.746 177.584 -0.034 0.000 1.416 131 A CA 1.133 53.141 52.037 -0.047 0.000 0.932 131 A CB -2.574 16.366 19.000 -0.100 0.000 0.979 131 A HN 0.623 nan 8.150 nan 0.000 0.616 132 V N 1.196 121.097 119.914 -0.021 0.000 2.252 132 V HA 0.045 4.164 4.120 -0.000 0.000 0.167 132 V C -1.179 174.930 176.094 0.024 0.000 0.936 132 V CA 0.942 63.236 62.300 -0.010 0.000 1.256 132 V CB -1.024 30.791 31.823 -0.013 0.000 0.759 132 V HN 0.593 nan 8.190 nan 0.000 0.449 133 P HA -0.013 nan 4.420 nan 0.000 0.263 133 P C -0.418 176.936 177.300 0.091 0.000 1.168 133 P CA 0.662 63.797 63.100 0.058 0.000 0.759 133 P CB 0.031 31.760 31.700 0.049 0.000 0.782 134 V N 1.355 121.348 119.914 0.132 0.000 2.673 134 V HA 0.111 4.231 4.120 -0.000 0.000 0.303 134 V C 1.111 177.290 176.094 0.142 0.000 1.046 134 V CA -0.298 62.126 62.300 0.207 0.000 1.126 134 V CB -0.495 31.478 31.823 0.250 0.000 0.934 134 V HN 0.754 nan 8.190 nan 0.000 0.487 135 R N 1.279 121.878 120.500 0.165 0.000 3.762 135 R HA -0.187 4.153 4.340 -0.000 0.000 0.328 135 R C 1.181 177.513 176.300 0.054 0.000 1.164 135 R CA 0.790 56.939 56.100 0.081 0.000 0.861 135 R CB -2.321 27.992 30.300 0.020 0.000 1.408 135 R HN 1.235 nan 8.270 nan 0.000 0.502 136 A N 1.007 123.867 122.820 0.066 0.000 1.845 136 A HA 0.065 4.385 4.320 -0.000 0.000 0.215 136 A C 2.335 179.921 177.584 0.004 0.000 1.195 136 A CA 1.792 53.849 52.037 0.033 0.000 0.616 136 A CB -0.450 18.573 19.000 0.038 0.000 0.832 136 A HN 0.546 nan 8.150 nan 0.000 0.443 137 A N -0.559 122.272 122.820 0.020 0.000 1.969 137 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 137 A C 1.832 179.394 177.584 -0.036 0.000 1.169 137 A CA 1.896 53.928 52.037 -0.009 0.000 0.635 137 A CB -0.446 18.569 19.000 0.025 0.000 0.810 137 A HN 0.508 nan 8.150 nan 0.000 0.445 138 E N 0.501 120.697 120.200 -0.006 0.000 2.110 138 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 138 E C 2.407 178.968 176.600 -0.065 0.000 0.988 138 E CA 1.613 57.998 56.400 -0.026 0.000 0.804 138 E CB -0.322 29.373 29.700 -0.008 0.000 0.745 138 E HN 0.788 nan 8.360 nan 0.000 0.458 139 S N 0.125 115.786 115.700 -0.065 0.000 2.402 139 S HA -0.091 4.379 4.470 -0.000 0.000 0.229 139 S C 2.071 176.574 174.600 -0.162 0.000 1.021 139 S CA 0.696 58.847 58.200 -0.082 0.000 0.974 139 S CB -0.438 62.733 63.200 -0.049 0.000 0.800 139 S HN 0.190 nan 8.310 nan 0.000 0.484 140 I N 1.502 121.931 120.570 -0.235 0.000 2.226 140 I HA -0.148 4.022 4.170 -0.000 0.000 0.245 140 I C 3.085 178.820 176.117 -0.637 0.000 1.100 140 I CA 1.468 62.465 61.300 -0.505 0.000 1.374 140 I CB -0.370 37.331 38.000 -0.499 0.000 1.057 140 I HN 0.281 nan 8.210 nan 0.000 0.413 141 R N 1.047 121.348 120.500 -0.331 0.000 2.083 141 R HA -0.225 4.115 4.340 -0.000 0.000 0.237 141 R C 2.543 178.781 176.300 -0.102 0.000 1.137 141 R CA 1.715 57.709 56.100 -0.177 0.000 0.951 141 R CB -0.249 30.011 30.300 -0.066 0.000 0.851 141 R HN 0.214 nan 8.270 nan 0.000 0.434 142 R N 0.449 120.893 120.500 -0.095 0.000 2.094 142 R HA -0.172 4.168 4.340 -0.000 0.000 0.239 142 R C 2.200 178.491 176.300 -0.015 0.000 1.137 142 R CA 2.113 58.188 56.100 -0.042 0.000 0.943 142 R CB -0.400 29.875 30.300 -0.042 0.000 0.850 142 R HN 0.293 nan 8.270 nan 0.000 0.433 143 I N 0.292 120.830 120.570 -0.054 0.000 2.226 143 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 143 I C 1.809 178.049 176.117 0.204 0.000 1.100 143 I CA 0.941 62.259 61.300 0.030 0.000 1.374 143 I CB -0.239 37.753 38.000 -0.014 0.000 1.057 143 I HN 0.161 nan 8.210 nan 0.000 0.413 144 F N 0.882 120.827 119.950 -0.008 0.000 2.234 144 F HA -0.184 4.343 4.527 -0.000 0.000 0.299 144 F C 2.248 178.041 175.800 -0.011 0.000 1.087 144 F CA 0.924 58.915 58.000 -0.014 0.000 1.340 144 F CB -1.156 37.831 39.000 -0.021 0.000 1.031 144 F HN 0.151 nan 8.300 nan 0.000 0.500 145 D N -0.033 120.471 120.400 0.174 0.000 2.149 145 D HA -0.033 4.607 4.640 -0.000 0.000 0.201 145 D C 2.295 178.635 176.300 0.066 0.000 0.972 145 D CA 1.199 55.255 54.000 0.093 0.000 0.835 145 D CB -0.419 40.416 40.800 0.058 0.000 0.966 145 D HN 0.162 nan 8.370 nan 0.000 0.476 146 A N 0.132 122.992 122.820 0.066 0.000 2.216 146 A HA -0.067 4.253 4.320 -0.000 0.000 0.214 146 A C 0.917 178.529 177.584 0.047 0.000 1.160 146 A CA 0.715 52.781 52.037 0.048 0.000 0.725 146 A CB -0.041 18.983 19.000 0.042 0.000 0.784 146 A HN 0.059 nan 8.150 nan 0.000 0.472 147 N N 0.683 119.419 118.700 0.060 0.000 2.672 147 N HA 0.095 4.834 4.740 -0.000 0.000 0.295 147 N C -0.458 175.057 175.510 0.009 0.000 1.924 147 N CA 0.309 53.382 53.050 0.038 0.000 0.851 147 N CB 0.941 39.462 38.487 0.058 0.000 1.281 147 N HN 0.463 nan 8.380 nan 0.000 0.494 148 T N -1.600 112.959 114.554 0.008 0.000 2.849 148 T HA 0.510 4.860 4.350 -0.000 0.000 0.284 148 T C 0.121 174.813 174.700 -0.014 0.000 1.004 148 T CA -0.284 61.812 62.100 -0.007 0.000 1.021 148 T CB 2.227 71.096 68.868 0.003 0.000 1.013 148 T HN 0.093 nan 8.240 nan 0.000 0.527 149 K N 1.125 121.512 120.400 -0.021 0.000 2.600 149 K HA 0.321 4.640 4.320 -0.000 0.000 0.262 149 K C -3.196 173.390 176.600 -0.023 0.000 0.935 149 K CA -1.446 54.827 56.287 -0.024 0.000 0.866 149 K CB 1.696 34.174 32.500 -0.038 0.000 1.354 149 K HN 0.409 nan 8.250 nan 0.000 0.419 150 P HA 0.116 nan 4.420 nan 0.000 0.261 150 P C -0.492 176.796 177.300 -0.019 0.000 1.183 150 P CA 0.475 63.566 63.100 -0.016 0.000 0.761 150 P CB 0.351 32.044 31.700 -0.012 0.000 0.785 151 N N -0.498 118.192 118.700 -0.017 0.000 2.965 151 N HA -0.180 4.560 4.740 -0.000 0.000 0.232 151 N C -0.190 175.307 175.510 -0.021 0.000 0.913 151 N CA 0.593 53.634 53.050 -0.015 0.000 0.981 151 N CB -1.333 37.147 38.487 -0.013 0.000 1.077 151 N HN 0.290 nan 8.380 nan 0.000 0.589 152 L N 2.048 123.249 121.223 -0.037 0.000 2.313 152 L HA 0.408 4.748 4.340 -0.000 0.000 0.282 152 L C 0.232 177.067 176.870 -0.060 0.000 1.092 152 L CA 0.093 54.893 54.840 -0.067 0.000 0.831 152 L CB 0.542 42.545 42.059 -0.095 0.000 1.159 152 L HN 0.144 nan 8.230 nan 0.000 0.442 153 N N 5.157 123.821 118.700 -0.060 0.000 2.664 153 N HA 0.309 5.049 4.740 -0.000 0.000 0.257 153 N C -1.714 173.694 175.510 -0.169 0.000 1.108 153 N CA -0.319 52.708 53.050 -0.038 0.000 0.822 153 N CB 0.395 38.936 38.487 0.089 0.000 1.199 153 N HN 0.568 nan 8.380 nan 0.000 0.529 154 L N 2.215 123.305 121.223 -0.221 0.000 2.260 154 L HA 0.426 4.765 4.340 -0.000 0.000 0.289 154 L C 0.181 176.996 176.870 -0.092 0.000 1.057 154 L CA -0.600 54.065 54.840 -0.292 0.000 0.811 154 L CB 1.022 42.732 42.059 -0.582 0.000 1.184 154 L HN 0.266 nan 8.230 nan 0.000 0.429 155 Q N 3.111 122.828 119.800 -0.137 0.000 2.271 155 Q HA 0.420 4.760 4.340 -0.000 0.000 0.258 155 Q C -0.646 175.382 176.000 0.047 0.000 0.936 155 Q CA -0.601 55.191 55.803 -0.018 0.000 0.909 155 Q CB 2.811 31.520 28.738 -0.049 0.000 1.253 155 Q HN 0.332 nan 8.270 nan 0.000 0.440 156 V N 4.522 124.488 119.914 0.087 0.000 2.383 156 V HA 0.417 4.537 4.120 -0.000 0.000 0.275 156 V C 0.267 176.386 176.094 0.041 0.000 1.036 156 V CA -0.405 61.935 62.300 0.067 0.000 0.889 156 V CB 0.803 32.640 31.823 0.022 0.000 0.985 156 V HN 0.546 nan 8.190 nan 0.000 0.459 157 L N 3.190 124.436 121.223 0.038 0.000 2.303 157 L HA 0.677 5.017 4.340 -0.000 0.000 0.266 157 L C 0.114 177.016 176.870 0.053 0.000 1.011 157 L CA -0.438 54.431 54.840 0.047 0.000 0.818 157 L CB 2.205 44.297 42.059 0.055 0.000 1.326 157 L HN 0.630 nan 8.230 nan 0.000 0.435 158 S N 1.299 117.030 115.700 0.052 0.000 2.472 158 S HA 0.417 4.887 4.470 -0.000 0.000 0.303 158 S C -0.657 173.971 174.600 0.047 0.000 1.099 158 S CA -0.591 57.634 58.200 0.042 0.000 1.077 158 S CB 0.817 64.026 63.200 0.016 0.000 1.031 158 S HN 0.763 nan 8.310 nan 0.000 0.487 159 N N 4.398 123.125 118.700 0.044 0.000 2.824 159 N HA 0.267 5.007 4.740 -0.000 0.000 0.224 159 N C -3.200 172.273 175.510 -0.062 0.000 1.418 159 N CA -1.161 51.911 53.050 0.037 0.000 0.743 159 N CB 1.199 39.803 38.487 0.196 0.000 1.395 159 N HN 0.332 nan 8.380 nan 0.000 0.548 160 P HA 0.205 nan 4.420 nan 0.000 0.275 160 P C -0.603 176.354 177.300 -0.572 0.000 1.227 160 P CA 0.024 62.910 63.100 -0.356 0.000 0.781 160 P CB 0.918 32.357 31.700 -0.436 0.000 0.906 161 E N 1.385 121.288 120.200 -0.496 0.000 2.277 161 E HA 0.283 4.633 4.350 -0.000 0.000 0.274 161 E C -0.428 175.830 176.600 -0.570 0.000 1.022 161 E CA -0.357 55.795 56.400 -0.412 0.000 0.853 161 E CB 0.485 30.073 29.700 -0.185 0.000 1.086 161 E HN 0.341 nan 8.360 nan 0.000 0.397 162 F N 1.310 121.236 119.950 -0.040 0.000 2.791 162 F HA 0.258 4.785 4.527 -0.000 0.000 0.308 162 F C 0.510 176.305 175.800 -0.009 0.000 1.138 162 F CA -0.357 57.619 58.000 -0.039 0.000 1.294 162 F CB 0.073 39.042 39.000 -0.052 0.000 0.975 162 F HN 0.128 nan 8.300 nan 0.000 0.512 163 L N 1.490 122.779 121.223 0.110 0.000 2.578 163 L HA 0.133 4.473 4.340 -0.000 0.000 0.279 163 L C 0.766 177.705 176.870 0.116 0.000 1.227 163 L CA -0.266 54.638 54.840 0.106 0.000 0.900 163 L CB 0.234 42.342 42.059 0.081 0.000 1.144 163 L HN 0.197 nan 8.230 nan 0.000 0.496 164 A N 4.483 127.383 122.820 0.133 0.000 2.252 164 A HA 0.331 4.651 4.320 -0.000 0.000 0.309 164 A C 0.040 177.691 177.584 0.112 0.000 1.285 164 A CA -0.627 51.499 52.037 0.149 0.000 0.900 164 A CB 0.087 19.193 19.000 0.178 0.000 1.157 164 A HN 0.767 nan 8.150 nan 0.000 0.536 165 E N 1.146 121.425 120.200 0.132 0.000 2.376 165 E HA 0.370 4.720 4.350 -0.000 0.000 0.266 165 E C 1.156 177.749 176.600 -0.012 0.000 1.009 165 E CA 0.955 57.413 56.400 0.097 0.000 0.902 165 E CB 0.531 30.322 29.700 0.152 0.000 0.972 165 E HN 1.165 nan 8.360 nan 0.000 0.439 166 G N 2.707 111.486 108.800 -0.035 0.000 2.279 166 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.223 166 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.223 166 G C 0.818 175.682 174.900 -0.060 0.000 1.015 166 G CA 0.304 45.348 45.100 -0.094 0.000 0.621 166 G HN 0.656 nan 8.290 nan 0.000 0.506 167 T N -2.448 112.099 114.554 -0.012 0.000 3.393 167 T HA 0.721 5.071 4.350 -0.000 0.000 0.298 167 T C 1.845 176.566 174.700 0.036 0.000 1.004 167 T CA 1.276 63.383 62.100 0.011 0.000 0.956 167 T CB 0.677 69.565 68.868 0.033 0.000 1.182 167 T HN 1.397 nan 8.240 nan 0.000 0.497 168 A N 2.316 125.157 122.820 0.036 0.000 1.883 168 A HA 0.055 4.374 4.320 -0.000 0.000 0.217 168 A C 2.157 179.775 177.584 0.057 0.000 1.186 168 A CA 1.351 53.424 52.037 0.060 0.000 0.624 168 A CB -0.605 18.437 19.000 0.070 0.000 0.822 168 A HN 0.509 nan 8.150 nan 0.000 0.444 169 I N 0.123 120.710 120.570 0.028 0.000 2.202 169 I HA -0.209 3.961 4.170 -0.000 0.000 0.242 169 I C 3.051 179.195 176.117 0.044 0.000 1.091 169 I CA 2.018 63.331 61.300 0.021 0.000 1.368 169 I CB -1.655 36.336 38.000 -0.015 0.000 1.058 169 I HN 0.492 nan 8.210 nan 0.000 0.410 170 K N 0.789 121.214 120.400 0.042 0.000 2.026 170 K HA -0.203 4.116 4.320 -0.000 0.000 0.208 170 K C 1.723 178.376 176.600 0.088 0.000 1.048 170 K CA 1.974 58.297 56.287 0.060 0.000 0.929 170 K CB -1.205 31.323 32.500 0.046 0.000 0.713 170 K HN 0.386 nan 8.250 nan 0.000 0.439 171 D N 0.492 120.945 120.400 0.088 0.000 2.149 171 D HA -0.104 4.536 4.640 -0.000 0.000 0.198 171 D C 1.855 178.244 176.300 0.147 0.000 0.990 171 D CA 1.318 55.382 54.000 0.108 0.000 0.839 171 D CB -0.074 40.790 40.800 0.107 0.000 0.948 171 D HN 0.451 nan 8.370 nan 0.000 0.460 172 L N 0.026 121.346 121.223 0.163 0.000 2.270 172 L HA 0.019 4.359 4.340 -0.000 0.000 0.210 172 L C 2.211 179.313 176.870 0.386 0.000 1.104 172 L CA 0.660 55.651 54.840 0.250 0.000 0.804 172 L CB 0.009 42.186 42.059 0.196 0.000 0.937 172 L HN -0.132 nan 8.230 nan 0.000 0.450 173 K N -0.204 120.349 120.400 0.255 0.000 2.305 173 K HA -0.024 4.296 4.320 -0.000 0.000 0.199 173 K C 0.484 177.317 176.600 0.389 0.000 1.047 173 K CA 0.503 56.959 56.287 0.282 0.000 0.976 173 K CB 0.130 32.700 32.500 0.116 0.000 0.765 173 K HN 0.054 nan 8.250 nan 0.000 0.474 174 N N 0.714 119.571 118.700 0.262 0.000 2.687 174 N HA 0.123 4.863 4.740 -0.000 0.000 0.275 174 N C -2.929 172.655 175.510 0.124 0.000 1.789 174 N CA -1.790 51.370 53.050 0.183 0.000 0.806 174 N CB 0.768 39.333 38.487 0.128 0.000 1.256 174 N HN -0.127 nan 8.380 nan 0.000 0.500 175 P HA 0.276 nan 4.420 nan 0.000 0.278 175 P C 0.016 177.321 177.300 0.008 0.000 1.238 175 P CA -0.117 63.021 63.100 0.065 0.000 0.794 175 P CB 1.613 33.344 31.700 0.052 0.000 0.955 176 D N 1.014 121.408 120.400 -0.010 0.000 2.097 176 D HA -0.093 4.547 4.640 -0.000 0.000 0.195 176 D C 1.053 177.309 176.300 -0.073 0.000 0.989 176 D CA 1.774 55.744 54.000 -0.049 0.000 0.827 176 D CB 0.168 40.919 40.800 -0.081 0.000 0.966 176 D HN 0.438 nan 8.370 nan 0.000 0.456 177 R N -0.406 120.049 120.500 -0.076 0.000 2.663 177 R HA 0.388 4.727 4.340 -0.000 0.000 0.267 177 R C -1.922 174.344 176.300 -0.057 0.000 1.038 177 R CA -0.739 55.311 56.100 -0.084 0.000 0.886 177 R CB 0.604 30.841 30.300 -0.105 0.000 1.249 177 R HN -0.174 nan 8.270 nan 0.000 0.463 178 V N 2.744 122.583 119.914 -0.125 0.000 2.435 178 V HA 0.462 4.582 4.120 -0.000 0.000 0.290 178 V C -0.496 175.531 176.094 -0.111 0.000 1.030 178 V CA -0.928 61.251 62.300 -0.201 0.000 0.881 178 V CB 1.386 32.926 31.823 -0.471 0.000 0.983 178 V HN 0.616 nan 8.190 nan 0.000 0.445 179 L N 7.049 128.243 121.223 -0.048 0.000 2.305 179 L HA 0.672 5.012 4.340 -0.000 0.000 0.284 179 L C -0.625 176.220 176.870 -0.040 0.000 1.013 179 L CA 0.028 54.865 54.840 -0.006 0.000 0.819 179 L CB 1.117 43.242 42.059 0.109 0.000 1.227 179 L HN 0.528 nan 8.230 nan 0.000 0.417 180 I N 4.362 124.919 120.570 -0.022 0.000 2.499 180 I HA 0.582 4.752 4.170 -0.000 0.000 0.288 180 I C 0.220 176.345 176.117 0.013 0.000 1.048 180 I CA -0.610 60.696 61.300 0.011 0.000 1.062 180 I CB 2.099 40.123 38.000 0.042 0.000 1.238 180 I HN 0.707 nan 8.210 nan 0.000 0.426 181 G N 3.293 112.105 108.800 0.019 0.000 2.452 181 G HA2 0.816 4.775 3.960 -0.000 0.000 0.324 181 G HA3 0.816 4.775 3.960 -0.000 0.000 0.324 181 G C -0.704 174.220 174.900 0.039 0.000 1.214 181 G CA -0.785 44.328 45.100 0.021 0.000 0.947 181 G HN 0.871 nan 8.290 nan 0.000 0.478 182 G N 0.564 109.389 108.800 0.043 0.000 2.646 182 G HA2 0.484 4.444 3.960 -0.000 0.000 0.291 182 G HA3 0.484 4.444 3.960 -0.000 0.000 0.291 182 G C -1.182 173.747 174.900 0.048 0.000 1.445 182 G CA -0.874 44.255 45.100 0.048 0.000 0.814 182 G HN 0.512 nan 8.290 nan 0.000 0.495 183 D N 0.319 120.748 120.400 0.049 0.000 2.563 183 D HA 0.304 4.944 4.640 -0.000 0.000 0.229 183 D C 1.626 177.950 176.300 0.041 0.000 1.159 183 D CA 0.889 54.917 54.000 0.046 0.000 0.869 183 D CB 0.712 41.537 40.800 0.042 0.000 1.203 183 D HN 0.768 nan 8.370 nan 0.000 0.478 184 E N 0.974 121.197 120.200 0.038 0.000 2.515 184 E HA -0.048 4.301 4.350 -0.000 0.000 0.201 184 E C 1.118 177.735 176.600 0.028 0.000 1.071 184 E CA 0.911 57.330 56.400 0.032 0.000 0.880 184 E CB -0.768 28.950 29.700 0.030 0.000 0.828 184 E HN 0.597 nan 8.360 nan 0.000 0.540 185 T N -2.842 111.730 114.554 0.029 0.000 2.813 185 T HA 0.281 4.631 4.350 -0.000 0.000 0.297 185 T C -1.634 173.082 174.700 0.027 0.000 1.036 185 T CA -0.684 61.432 62.100 0.026 0.000 1.044 185 T CB 1.442 70.327 68.868 0.028 0.000 0.993 185 T HN -0.059 nan 8.240 nan 0.000 0.535 186 P HA 0.044 nan 4.420 nan 0.000 0.218 186 P C 1.602 178.917 177.300 0.024 0.000 1.152 186 P CA 0.553 63.664 63.100 0.020 0.000 0.826 186 P CB 0.105 31.811 31.700 0.011 0.000 0.790 187 E N -0.231 119.986 120.200 0.028 0.000 2.110 187 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 187 E C 2.235 178.872 176.600 0.061 0.000 0.988 187 E CA 1.524 57.950 56.400 0.043 0.000 0.804 187 E CB -1.129 28.602 29.700 0.052 0.000 0.745 187 E HN 0.220 nan 8.360 nan 0.000 0.458 188 G N 0.977 109.808 108.800 0.052 0.000 2.402 188 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 188 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 188 G C 1.536 176.471 174.900 0.057 0.000 1.162 188 G CA 0.333 45.466 45.100 0.055 0.000 0.777 188 G HN 0.151 nan 8.290 nan 0.000 0.539 189 Q N 0.065 119.894 119.800 0.048 0.000 2.167 189 Q HA 0.066 4.406 4.340 -0.000 0.000 0.202 189 Q C 2.634 178.668 176.000 0.058 0.000 0.970 189 Q CA 0.590 56.422 55.803 0.047 0.000 0.855 189 Q CB -0.243 28.516 28.738 0.036 0.000 0.911 189 Q HN 0.462 nan 8.270 nan 0.000 0.438 190 R N -0.013 120.522 120.500 0.058 0.000 2.081 190 R HA -0.067 4.273 4.340 -0.000 0.000 0.235 190 R C 2.188 178.556 176.300 0.113 0.000 1.131 190 R CA 1.184 57.325 56.100 0.069 0.000 0.960 190 R CB -0.215 30.106 30.300 0.034 0.000 0.856 190 R HN 0.211 nan 8.270 nan 0.000 0.436 191 A N 0.402 123.295 122.820 0.122 0.000 1.877 191 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 191 A C 2.299 179.954 177.584 0.118 0.000 1.186 191 A CA 1.444 53.565 52.037 0.140 0.000 0.620 191 A CB -0.614 18.444 19.000 0.097 0.000 0.822 191 A HN 0.145 nan 8.150 nan 0.000 0.443 192 V N 0.106 120.077 119.914 0.094 0.000 2.287 192 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 192 V C 2.780 178.935 176.094 0.102 0.000 1.053 192 V CA 2.177 64.531 62.300 0.090 0.000 1.027 192 V CB -0.757 31.106 31.823 0.068 0.000 0.646 192 V HN 0.548 nan 8.190 nan 0.000 0.447 193 Q N -0.283 119.575 119.800 0.096 0.000 2.124 193 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 193 Q C 2.424 178.498 176.000 0.122 0.000 0.977 193 Q CA 1.911 57.772 55.803 0.095 0.000 0.850 193 Q CB -0.807 27.978 28.738 0.078 0.000 0.901 193 Q HN 0.664 nan 8.270 nan 0.000 0.429 194 A N 0.724 123.642 122.820 0.163 0.000 1.902 194 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 194 A C 2.099 179.774 177.584 0.152 0.000 1.181 194 A CA 1.370 53.527 52.037 0.200 0.000 0.623 194 A CB -0.593 18.628 19.000 0.369 0.000 0.818 194 A HN 0.335 nan 8.150 nan 0.000 0.443 195 L N -0.380 120.931 121.223 0.147 0.000 2.056 195 L HA -0.111 4.229 4.340 -0.000 0.000 0.207 195 L C 2.472 179.463 176.870 0.201 0.000 1.078 195 L CA 1.784 56.711 54.840 0.145 0.000 0.749 195 L CB -1.093 41.069 42.059 0.172 0.000 0.901 195 L HN 0.461 nan 8.230 nan 0.000 0.433 196 C N -0.291 119.123 119.300 0.189 0.000 2.393 196 C HA -0.241 4.219 4.460 -0.000 0.000 0.276 196 C C 3.005 178.085 174.990 0.149 0.000 1.215 196 C CA 0.974 60.097 59.018 0.175 0.000 1.743 196 C CB -1.538 26.262 27.740 0.100 0.000 2.044 196 C HN 0.732 nan 8.230 nan 0.000 0.464 197 A N -0.096 122.797 122.820 0.122 0.000 1.948 197 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 197 A C 2.229 179.945 177.584 0.219 0.000 1.177 197 A CA 2.436 54.545 52.037 0.120 0.000 0.636 197 A CB -0.732 18.327 19.000 0.099 0.000 0.815 197 A HN 0.428 nan 8.150 nan 0.000 0.449 198 V N -1.816 118.191 119.914 0.155 0.000 2.261 198 V HA -0.287 3.832 4.120 -0.000 0.000 0.246 198 V C 2.318 178.491 176.094 0.132 0.000 1.047 198 V CA 2.062 64.418 62.300 0.094 0.000 1.015 198 V CB -1.078 30.674 31.823 -0.118 0.000 0.642 198 V HN 0.693 nan 8.190 nan 0.000 0.446 199 Y N 0.259 120.588 120.300 0.048 0.000 2.439 199 Y HA -0.091 4.458 4.550 -0.000 0.000 0.292 199 Y C 2.501 178.182 175.900 -0.365 0.000 1.130 199 Y CA 1.019 58.906 58.100 -0.356 0.000 1.254 199 Y CB -0.160 38.076 38.460 -0.373 0.000 1.000 199 Y HN 0.317 nan 8.280 nan 0.000 0.554 200 E N -0.790 119.444 120.200 0.055 0.000 2.409 200 E HA -0.187 4.162 4.350 -0.000 0.000 0.198 200 E C 1.188 177.820 176.600 0.054 0.000 1.024 200 E CA 0.584 56.989 56.400 0.008 0.000 0.861 200 E CB -0.135 29.569 29.700 0.006 0.000 0.788 200 E HN 0.659 nan 8.360 nan 0.000 0.521 201 H N -1.093 118.045 119.070 0.112 0.000 2.456 201 H HA -0.142 4.414 4.556 -0.000 0.000 0.296 201 H C 1.245 176.788 175.328 0.357 0.000 1.079 201 H CA 1.768 57.955 56.048 0.231 0.000 1.322 201 H CB -0.019 29.931 29.762 0.314 0.000 1.388 201 H HN 0.477 nan 8.280 nan 0.000 0.538 202 W N -2.042 119.359 121.300 0.170 0.000 1.807 202 W HA 0.477 5.137 4.660 -0.000 0.000 0.251 202 W C -1.541 175.040 176.519 0.103 0.000 0.848 202 W CA -0.236 57.176 57.345 0.113 0.000 1.157 202 W CB 0.327 29.851 29.460 0.106 0.000 0.992 202 W HN -0.308 nan 8.180 nan 0.000 0.506 203 V N 3.446 123.148 119.914 -0.352 0.000 2.444 203 V HA 0.439 4.558 4.120 -0.000 0.000 0.294 203 V C -2.022 173.978 176.094 -0.156 0.000 1.022 203 V CA -2.154 59.937 62.300 -0.348 0.000 0.850 203 V CB 1.495 32.988 31.823 -0.550 0.000 0.992 203 V HN -0.245 nan 8.190 nan 0.000 0.426 204 P HA 0.117 nan 4.420 nan 0.000 0.266 204 P C 0.617 177.878 177.300 -0.066 0.000 1.195 204 P CA -0.193 62.874 63.100 -0.055 0.000 0.768 204 P CB 0.718 32.397 31.700 -0.035 0.000 0.838 205 R N 3.663 124.134 120.500 -0.048 0.000 2.105 205 R HA -0.211 4.129 4.340 -0.000 0.000 0.239 205 R C 1.684 177.958 176.300 -0.044 0.000 1.135 205 R CA 2.143 58.218 56.100 -0.042 0.000 0.967 205 R CB -0.963 29.321 30.300 -0.026 0.000 0.861 205 R HN 0.590 nan 8.270 nan 0.000 0.442 206 E N -0.102 120.074 120.200 -0.040 0.000 2.267 206 E HA -0.197 4.152 4.350 -0.000 0.000 0.197 206 E C 1.152 177.721 176.600 -0.051 0.000 0.998 206 E CA 1.496 57.873 56.400 -0.039 0.000 0.830 206 E CB -0.177 29.503 29.700 -0.033 0.000 0.751 206 E HN 0.284 nan 8.360 nan 0.000 0.491 207 K N 0.350 120.712 120.400 -0.063 0.000 2.417 207 K HA 0.240 4.560 4.320 -0.000 0.000 0.196 207 K C -0.171 176.371 176.600 -0.096 0.000 1.023 207 K CA -0.020 56.220 56.287 -0.078 0.000 1.122 207 K CB 0.368 32.820 32.500 -0.080 0.000 0.850 207 K HN 0.163 nan 8.250 nan 0.000 0.521 208 I N 1.895 122.412 120.570 -0.087 0.000 2.339 208 I HA 0.174 4.343 4.170 -0.000 0.000 0.290 208 I C -0.957 175.122 176.117 -0.063 0.000 0.994 208 I CA -1.025 60.219 61.300 -0.093 0.000 1.191 208 I CB 1.270 39.222 38.000 -0.081 0.000 1.343 208 I HN -0.145 nan 8.210 nan 0.000 0.458 209 L N 7.173 128.358 121.223 -0.063 0.000 2.298 209 L HA 0.469 4.809 4.340 -0.000 0.000 0.284 209 L C 0.126 176.977 176.870 -0.032 0.000 1.013 209 L CA -0.030 54.782 54.840 -0.047 0.000 0.824 209 L CB 1.531 43.558 42.059 -0.053 0.000 1.221 209 L HN 0.634 nan 8.230 nan 0.000 0.418 210 T N 0.333 114.876 114.554 -0.019 0.000 2.794 210 T HA 0.768 5.118 4.350 -0.000 0.000 0.280 210 T C -0.059 174.638 174.700 -0.005 0.000 0.987 210 T CA -0.562 61.535 62.100 -0.004 0.000 0.993 210 T CB 1.776 70.649 68.868 0.008 0.000 0.939 210 T HN 0.566 nan 8.240 nan 0.000 0.449 211 T N 1.650 116.203 114.554 -0.001 0.000 2.618 211 T HA 0.531 4.880 4.350 -0.000 0.000 0.293 211 T C -0.779 173.929 174.700 0.014 0.000 1.093 211 T CA -0.775 61.324 62.100 -0.002 0.000 1.061 211 T CB 1.026 69.880 68.868 -0.024 0.000 1.498 211 T HN 0.926 nan 8.240 nan 0.000 0.494 212 N N -0.322 118.391 118.700 0.023 0.000 2.379 212 N HA 0.289 5.028 4.740 -0.000 0.000 0.260 212 N C 1.334 176.873 175.510 0.049 0.000 1.254 212 N CA 0.216 53.295 53.050 0.049 0.000 0.958 212 N CB 0.238 38.771 38.487 0.076 0.000 1.208 212 N HN 0.674 nan 8.380 nan 0.000 0.532 213 T N -3.689 110.915 114.554 0.082 0.000 2.770 213 T HA -0.197 4.153 4.350 -0.000 0.000 0.263 213 T C 1.338 176.104 174.700 0.110 0.000 1.039 213 T CA 0.523 62.672 62.100 0.082 0.000 1.142 213 T CB -0.789 68.132 68.868 0.090 0.000 0.868 213 T HN 0.670 nan 8.240 nan 0.000 0.435 214 W N 1.481 122.781 121.300 -0.001 0.000 2.335 214 W HA -0.178 4.482 4.660 0.001 0.000 0.311 214 W C 2.508 179.026 176.519 -0.001 0.000 1.213 214 W CA 1.458 58.801 57.345 -0.002 0.000 1.274 214 W CB -0.532 28.927 29.460 -0.002 0.000 1.148 214 W HN 0.425 nan 8.180 nan 0.000 0.498 215 S N -0.075 115.457 115.700 -0.279 0.000 2.423 215 S HA -0.186 4.284 4.470 -0.000 0.000 0.231 215 S C 2.091 176.506 174.600 -0.308 0.000 1.014 215 S CA 1.684 59.658 58.200 -0.376 0.000 0.965 215 S CB -0.635 62.488 63.200 -0.128 0.000 0.785 215 S HN 0.323 nan 8.310 nan 0.000 0.495 216 S N 0.709 116.294 115.700 -0.191 0.000 2.356 216 S HA -0.105 4.365 4.470 -0.000 0.000 0.223 216 S C 1.767 176.249 174.600 -0.197 0.000 1.032 216 S CA 1.602 59.718 58.200 -0.140 0.000 1.005 216 S CB -0.431 62.728 63.200 -0.068 0.000 0.867 216 S HN 0.709 nan 8.310 nan 0.000 0.449 217 E N 0.233 120.274 120.200 -0.266 0.000 2.072 217 E HA -0.084 4.266 4.350 -0.000 0.000 0.190 217 E C 2.077 178.424 176.600 -0.422 0.000 0.982 217 E CA 1.023 57.265 56.400 -0.263 0.000 0.803 217 E CB -0.272 29.349 29.700 -0.132 0.000 0.755 217 E HN 0.348 nan 8.360 nan 0.000 0.453 218 L N 1.080 121.806 121.223 -0.827 0.000 2.042 218 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 218 L C 2.116 178.776 176.870 -0.351 0.000 1.076 218 L CA 1.738 56.150 54.840 -0.713 0.000 0.749 218 L CB -0.431 41.043 42.059 -0.974 0.000 0.893 218 L HN -0.069 nan 8.230 nan 0.000 0.432 219 S N -1.204 114.322 115.700 -0.290 0.000 2.399 219 S HA -0.213 4.257 4.470 -0.000 0.000 0.231 219 S C 2.109 176.675 174.600 -0.056 0.000 1.022 219 S CA 1.267 59.368 58.200 -0.164 0.000 0.983 219 S CB -0.232 62.892 63.200 -0.125 0.000 0.803 219 S HN 0.461 nan 8.310 nan 0.000 0.480 220 K N 1.353 121.746 120.400 -0.011 0.000 2.031 220 K HA 0.169 4.489 4.320 -0.000 0.000 0.205 220 K C 2.024 178.647 176.600 0.038 0.000 1.049 220 K CA 0.628 56.988 56.287 0.121 0.000 0.939 220 K CB -0.899 31.580 32.500 -0.035 0.000 0.717 220 K HN 0.459 nan 8.250 nan 0.000 0.438 221 L N 0.056 121.238 121.223 -0.069 0.000 2.012 221 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 221 L C 2.830 179.631 176.870 -0.115 0.000 1.073 221 L CA 1.816 56.604 54.840 -0.087 0.000 0.748 221 L CB -0.776 41.215 42.059 -0.114 0.000 0.891 221 L HN 0.460 nan 8.230 nan 0.000 0.431 222 A N -0.172 122.569 122.820 -0.132 0.000 1.877 222 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 222 A C 2.506 180.074 177.584 -0.028 0.000 1.186 222 A CA 1.779 53.750 52.037 -0.109 0.000 0.620 222 A CB -0.720 18.215 19.000 -0.108 0.000 0.822 222 A HN 0.433 nan 8.150 nan 0.000 0.443 223 A N 0.202 122.968 122.820 -0.091 0.000 1.902 223 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 223 A C 1.946 179.529 177.584 -0.003 0.000 1.181 223 A CA 1.751 53.708 52.037 -0.133 0.000 0.623 223 A CB -0.664 18.191 19.000 -0.242 0.000 0.818 223 A HN 0.561 nan 8.150 nan 0.000 0.443 224 N N 0.339 119.083 118.700 0.073 0.000 2.223 224 N HA -0.105 4.635 4.740 -0.000 0.000 0.185 224 N C 1.864 177.420 175.510 0.077 0.000 1.016 224 N CA 1.425 54.579 53.050 0.173 0.000 0.863 224 N CB -0.447 38.164 38.487 0.208 0.000 0.983 224 N HN 0.493 nan 8.380 nan 0.000 0.429 225 A N 0.294 123.105 122.820 -0.016 0.000 1.930 225 A HA -0.042 4.278 4.320 -0.000 0.000 0.217 225 A C 1.949 179.592 177.584 0.097 0.000 1.175 225 A CA 0.804 52.771 52.037 -0.117 0.000 0.627 225 A CB -0.690 17.907 19.000 -0.673 0.000 0.815 225 A HN 0.125 nan 8.150 nan 0.000 0.443 226 F N 0.055 119.981 119.950 -0.039 0.000 2.146 226 F HA -0.065 4.462 4.527 -0.001 0.000 0.298 226 F C 2.121 177.867 175.800 -0.091 0.000 1.096 226 F CA 1.232 59.265 58.000 0.055 0.000 1.275 226 F CB -0.451 38.556 39.000 0.012 0.000 1.008 226 F HN 0.089 nan 8.300 nan 0.000 0.480 227 L N -0.709 120.492 121.223 -0.037 0.000 2.017 227 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 227 L C 2.696 179.318 176.870 -0.413 0.000 1.073 227 L CA 1.276 55.925 54.840 -0.318 0.000 0.745 227 L CB -1.057 40.706 42.059 -0.493 0.000 0.894 227 L HN 0.122 nan 8.230 nan 0.000 0.432 228 A N -0.688 121.731 122.820 -0.669 0.000 1.972 228 A HA -0.278 4.042 4.320 -0.000 0.000 0.219 228 A C 2.253 179.641 177.584 -0.326 0.000 1.169 228 A CA 1.748 53.229 52.037 -0.927 0.000 0.635 228 A CB -0.555 17.828 19.000 -1.028 0.000 0.810 228 A HN 0.503 nan 8.150 nan 0.000 0.446 229 Q N -0.429 119.305 119.800 -0.110 0.000 2.124 229 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 229 Q C 2.217 178.200 176.000 -0.029 0.000 0.977 229 Q CA 1.590 57.376 55.803 -0.029 0.000 0.850 229 Q CB -0.081 28.643 28.738 -0.022 0.000 0.901 229 Q HN 0.691 nan 8.270 nan 0.000 0.429 230 R N -0.249 120.243 120.500 -0.012 0.000 2.092 230 R HA -0.091 4.249 4.340 -0.000 0.000 0.231 230 R C 2.238 178.570 176.300 0.053 0.000 1.119 230 R CA 1.444 57.566 56.100 0.036 0.000 0.970 230 R CB -0.203 30.152 30.300 0.092 0.000 0.864 230 R HN 0.329 nan 8.270 nan 0.000 0.440 231 I N 0.017 120.622 120.570 0.058 0.000 2.202 231 I HA -0.230 3.939 4.170 -0.000 0.000 0.242 231 I C 2.129 178.312 176.117 0.111 0.000 1.091 231 I CA 1.206 62.559 61.300 0.088 0.000 1.368 231 I CB -0.160 37.916 38.000 0.125 0.000 1.058 231 I HN 0.036 nan 8.210 nan 0.000 0.410 232 S N 0.079 115.864 115.700 0.143 0.000 2.402 232 S HA -0.136 4.334 4.470 -0.000 0.000 0.229 232 S C 2.218 176.844 174.600 0.042 0.000 1.021 232 S CA 1.404 59.674 58.200 0.116 0.000 0.974 232 S CB -0.143 63.143 63.200 0.144 0.000 0.800 232 S HN 0.359 nan 8.310 nan 0.000 0.484 233 S N 1.366 117.074 115.700 0.013 0.000 2.356 233 S HA -0.017 4.453 4.470 -0.000 0.000 0.223 233 S C 1.806 176.410 174.600 0.007 0.000 1.032 233 S CA 0.905 59.099 58.200 -0.010 0.000 1.005 233 S CB -0.297 62.887 63.200 -0.027 0.000 0.867 233 S HN 0.387 nan 8.310 nan 0.000 0.449 234 I N 2.541 123.122 120.570 0.018 0.000 2.439 234 I HA -0.069 4.101 4.170 -0.000 0.000 0.251 234 I C 1.597 177.722 176.117 0.014 0.000 1.139 234 I CA 0.951 62.260 61.300 0.015 0.000 1.438 234 I CB -0.339 37.669 38.000 0.014 0.000 1.085 234 I HN 0.109 nan 8.210 nan 0.000 0.427 235 N N 0.153 118.866 118.700 0.022 0.000 2.188 235 N HA -0.161 4.578 4.740 -0.000 0.000 0.184 235 N C 2.131 177.667 175.510 0.042 0.000 1.018 235 N CA 1.593 54.654 53.050 0.018 0.000 0.858 235 N CB -0.494 38.002 38.487 0.015 0.000 0.989 235 N HN 0.530 nan 8.380 nan 0.000 0.426 236 S N 0.718 116.448 115.700 0.049 0.000 2.382 236 S HA -0.048 4.421 4.470 -0.000 0.000 0.228 236 S C 1.918 176.546 174.600 0.047 0.000 1.027 236 S CA 0.568 58.806 58.200 0.063 0.000 0.991 236 S CB -0.293 62.918 63.200 0.019 0.000 0.823 236 S HN 0.073 nan 8.310 nan 0.000 0.469 237 I N 3.412 123.997 120.570 0.025 0.000 2.361 237 I HA -0.109 4.061 4.170 -0.000 0.000 0.251 237 I C 2.996 179.128 176.117 0.024 0.000 1.133 237 I CA 1.487 62.798 61.300 0.019 0.000 1.413 237 I CB -1.932 36.073 38.000 0.009 0.000 1.073 237 I HN 0.629 nan 8.210 nan 0.000 0.424 238 S N 1.666 117.380 115.700 0.023 0.000 2.370 238 S HA -0.169 4.301 4.470 -0.000 0.000 0.226 238 S C 2.298 176.919 174.600 0.034 0.000 1.033 238 S CA 1.193 59.404 58.200 0.019 0.000 1.011 238 S CB -0.645 62.557 63.200 0.002 0.000 0.852 238 S HN 0.389 nan 8.310 nan 0.000 0.457 239 A N 1.788 124.642 122.820 0.056 0.000 1.908 239 A HA 0.033 4.353 4.320 -0.000 0.000 0.218 239 A C 2.266 179.889 177.584 0.066 0.000 1.181 239 A CA 1.689 53.774 52.037 0.081 0.000 0.627 239 A CB -0.976 18.130 19.000 0.177 0.000 0.818 239 A HN 0.524 nan 8.150 nan 0.000 0.445 240 L N -0.341 120.914 121.223 0.053 0.000 2.131 240 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 240 L C 2.484 179.371 176.870 0.029 0.000 1.092 240 L CA 1.617 56.479 54.840 0.036 0.000 0.759 240 L CB -0.949 41.125 42.059 0.024 0.000 0.903 240 L HN 0.511 nan 8.230 nan 0.000 0.435 241 C N -0.493 118.823 119.300 0.027 0.000 2.429 241 C HA -0.139 4.321 4.460 -0.000 0.000 0.277 241 C C 2.538 177.545 174.990 0.029 0.000 1.262 241 C CA 0.757 59.789 59.018 0.023 0.000 1.733 241 C CB -0.799 26.952 27.740 0.018 0.000 2.010 241 C HN 0.556 nan 8.230 nan 0.000 0.483 242 E N 0.832 121.054 120.200 0.037 0.000 2.153 242 E HA -0.140 4.209 4.350 -0.000 0.000 0.194 242 E C 2.169 178.793 176.600 0.040 0.000 0.988 242 E CA 1.351 57.777 56.400 0.043 0.000 0.811 242 E CB -0.167 29.563 29.700 0.050 0.000 0.746 242 E HN 0.700 nan 8.360 nan 0.000 0.466 243 A N 0.539 123.381 122.820 0.038 0.000 2.132 243 A HA -0.041 4.279 4.320 -0.000 0.000 0.213 243 A C 2.173 179.773 177.584 0.027 0.000 1.154 243 A CA 1.330 53.387 52.037 0.034 0.000 0.753 243 A CB -0.137 18.884 19.000 0.035 0.000 0.826 243 A HN 0.332 nan 8.150 nan 0.000 0.469 244 T N -6.248 108.321 114.554 0.024 0.000 2.999 244 T HA 0.444 4.794 4.350 -0.000 0.000 0.247 244 T C 1.438 176.149 174.700 0.018 0.000 1.012 244 T CA 1.179 63.291 62.100 0.019 0.000 1.048 244 T CB 0.480 69.357 68.868 0.015 0.000 1.020 244 T HN 1.503 nan 8.240 nan 0.000 0.478 245 G N 1.490 110.302 108.800 0.020 0.000 2.201 245 G HA2 0.074 4.034 3.960 -0.000 0.000 0.212 245 G HA3 0.074 4.034 3.960 -0.000 0.000 0.212 245 G C 0.381 175.289 174.900 0.013 0.000 0.994 245 G CA -0.082 45.029 45.100 0.018 0.000 0.644 245 G HN 1.077 nan 8.290 nan 0.000 0.508 246 A N 0.057 122.884 122.820 0.012 0.000 2.386 246 A HA 0.511 4.831 4.320 -0.000 0.000 0.246 246 A C 0.163 177.750 177.584 0.006 0.000 1.089 246 A CA 0.761 52.802 52.037 0.007 0.000 0.790 246 A CB 0.389 19.393 19.000 0.007 0.000 1.042 246 A HN 0.432 nan 8.150 nan 0.000 0.497 247 D N 1.081 121.481 120.400 -0.001 0.000 2.391 247 D HA 0.230 4.870 4.640 -0.000 0.000 0.245 247 D C 0.691 176.986 176.300 -0.008 0.000 1.069 247 D CA -0.458 53.538 54.000 -0.007 0.000 0.831 247 D CB 1.935 42.723 40.800 -0.020 0.000 1.204 247 D HN 0.182 nan 8.370 nan 0.000 0.503 248 V N 4.492 124.402 119.914 -0.006 0.000 2.626 248 V HA -0.144 3.976 4.120 -0.000 0.000 0.252 248 V C 1.894 177.981 176.094 -0.011 0.000 1.067 248 V CA 1.618 63.914 62.300 -0.006 0.000 1.081 248 V CB -0.159 31.661 31.823 -0.004 0.000 0.686 248 V HN 0.526 nan 8.190 nan 0.000 0.468 249 E N -0.142 120.046 120.200 -0.019 0.000 2.107 249 E HA -0.189 4.160 4.350 -0.000 0.000 0.191 249 E C 2.124 178.714 176.600 -0.017 0.000 0.982 249 E CA 1.288 57.676 56.400 -0.021 0.000 0.809 249 E CB -0.097 29.584 29.700 -0.032 0.000 0.756 249 E HN 0.745 nan 8.360 nan 0.000 0.459 250 E N 0.449 120.639 120.200 -0.017 0.000 2.038 250 E HA -0.143 4.206 4.350 -0.000 0.000 0.195 250 E C 2.252 178.848 176.600 -0.006 0.000 1.000 250 E CA 1.274 57.667 56.400 -0.012 0.000 0.803 250 E CB -0.018 29.675 29.700 -0.012 0.000 0.750 250 E HN 0.015 nan 8.360 nan 0.000 0.448 251 V N 1.364 121.275 119.914 -0.005 0.000 2.343 251 V HA -0.279 3.841 4.120 -0.000 0.000 0.247 251 V C 2.317 178.411 176.094 0.001 0.000 1.051 251 V CA 1.844 64.144 62.300 -0.001 0.000 1.036 251 V CB -0.728 31.095 31.823 0.000 0.000 0.654 251 V HN 0.333 nan 8.190 nan 0.000 0.451 252 A N -0.286 122.534 122.820 -0.000 0.000 1.933 252 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 252 A C 2.397 179.984 177.584 0.005 0.000 1.175 252 A CA 2.478 54.517 52.037 0.003 0.000 0.628 252 A CB -0.926 18.074 19.000 -0.000 0.000 0.814 252 A HN 0.513 nan 8.150 nan 0.000 0.444 253 T N 0.313 114.868 114.554 0.001 0.000 2.708 253 T HA -0.015 4.335 4.350 -0.000 0.000 0.266 253 T C 2.248 176.951 174.700 0.005 0.000 1.037 253 T CA 1.602 63.704 62.100 0.003 0.000 1.146 253 T CB -0.471 68.396 68.868 -0.001 0.000 0.865 253 T HN 0.597 nan 8.240 nan 0.000 0.435 254 A N 1.052 123.873 122.820 0.003 0.000 1.902 254 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 254 A C 2.308 179.896 177.584 0.006 0.000 1.181 254 A CA 1.203 53.242 52.037 0.004 0.000 0.623 254 A CB -0.781 18.221 19.000 0.002 0.000 0.818 254 A HN 0.513 nan 8.150 nan 0.000 0.443 255 I N -0.492 120.082 120.570 0.007 0.000 2.202 255 I HA -0.184 3.985 4.170 -0.000 0.000 0.242 255 I C 2.620 178.745 176.117 0.013 0.000 1.091 255 I CA 1.247 62.553 61.300 0.010 0.000 1.368 255 I CB -0.548 37.459 38.000 0.011 0.000 1.058 255 I HN 0.406 nan 8.210 nan 0.000 0.410 256 G N 0.152 108.961 108.800 0.015 0.000 2.534 256 G HA2 -0.141 3.818 3.960 -0.000 0.000 0.217 256 G HA3 -0.141 3.818 3.960 -0.000 0.000 0.217 256 G C 1.625 176.535 174.900 0.017 0.000 1.128 256 G CA 0.111 45.223 45.100 0.020 0.000 0.784 256 G HN 0.259 nan 8.290 nan 0.000 0.542 257 M N 0.574 120.182 119.600 0.012 0.000 2.562 257 M HA 0.075 4.555 4.480 -0.000 0.000 0.257 257 M C 0.508 176.814 176.300 0.010 0.000 1.099 257 M CA 0.184 55.490 55.300 0.010 0.000 1.099 257 M CB 0.212 32.817 32.600 0.008 0.000 1.427 257 M HN -0.007 nan 8.290 nan 0.000 0.489 258 D N 1.393 121.799 120.400 0.010 0.000 2.346 258 D HA -0.005 4.635 4.640 -0.000 0.000 0.260 258 D C 0.633 176.939 176.300 0.011 0.000 1.252 258 D CA 0.422 54.427 54.000 0.010 0.000 0.895 258 D CB 0.889 41.694 40.800 0.010 0.000 1.097 258 D HN 0.298 nan 8.370 nan 0.000 0.489 259 Q N 2.736 122.541 119.800 0.008 0.000 2.364 259 Q HA -0.112 4.228 4.340 -0.000 0.000 0.209 259 Q C 1.545 177.550 176.000 0.007 0.000 0.977 259 Q CA 0.853 56.660 55.803 0.007 0.000 0.885 259 Q CB 0.321 29.062 28.738 0.004 0.000 0.941 259 Q HN 0.454 nan 8.270 nan 0.000 0.464 260 R N -0.380 120.125 120.500 0.008 0.000 2.193 260 R HA 0.013 4.353 4.340 -0.000 0.000 0.213 260 R C 1.736 178.046 176.300 0.016 0.000 1.055 260 R CA 0.778 56.884 56.100 0.010 0.000 0.995 260 R CB 0.141 30.448 30.300 0.011 0.000 0.893 260 R HN 0.256 nan 8.270 nan 0.000 0.459 261 I N -0.550 120.032 120.570 0.019 0.000 2.810 261 I HA 0.149 4.319 4.170 -0.000 0.000 0.262 261 I C 0.956 177.089 176.117 0.028 0.000 1.131 261 I CA 0.494 61.810 61.300 0.026 0.000 1.453 261 I CB -0.020 37.995 38.000 0.025 0.000 1.161 261 I HN 0.262 nan 8.210 nan 0.000 0.444 262 G N 2.330 111.144 108.800 0.023 0.000 2.758 262 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.686 262 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.686 262 G C -0.098 174.823 174.900 0.036 0.000 1.389 262 G CA 0.024 45.139 45.100 0.025 0.000 0.845 262 G HN 0.466 nan 8.290 nan 0.000 0.572 263 N N -0.791 117.932 118.700 0.039 0.000 2.214 263 N HA 0.150 4.890 4.740 -0.000 0.000 0.214 263 N C 0.265 175.814 175.510 0.066 0.000 1.132 263 N CA 0.075 53.151 53.050 0.043 0.000 0.856 263 N CB 0.514 39.020 38.487 0.030 0.000 1.020 263 N HN 0.507 nan 8.380 nan 0.000 0.509 264 K N 0.328 120.787 120.400 0.097 0.000 2.098 264 K HA 0.264 4.584 4.320 -0.000 0.000 0.258 264 K C -0.105 176.667 176.600 0.286 0.000 0.973 264 K CA -0.849 55.545 56.287 0.179 0.000 0.898 264 K CB 0.447 33.066 32.500 0.199 0.000 1.057 264 K HN 0.151 nan 8.250 nan 0.000 0.447 265 F N 0.624 120.579 119.950 0.008 0.000 3.074 265 F HA -0.249 4.278 4.527 -0.000 0.000 0.287 265 F C 0.175 175.971 175.800 -0.007 0.000 0.932 265 F CA 0.168 58.168 58.000 0.000 0.000 0.995 265 F CB -0.939 38.052 39.000 -0.015 0.000 0.966 265 F HN 0.387 nan 8.300 nan 0.000 0.721 266 L N -0.214 121.050 121.223 0.067 0.000 3.255 266 L HA 0.143 4.483 4.340 -0.000 0.000 0.293 266 L C 0.292 177.157 176.870 -0.007 0.000 1.302 266 L CA -0.124 54.737 54.840 0.036 0.000 0.977 266 L CB 0.881 42.965 42.059 0.042 0.000 1.390 266 L HN -0.037 nan 8.230 nan 0.000 0.588 267 K N 1.109 121.480 120.400 -0.049 0.000 2.281 267 K HA 0.726 5.046 4.320 -0.000 0.000 0.272 267 K C 0.259 176.826 176.600 -0.056 0.000 1.048 267 K CA -0.228 56.023 56.287 -0.060 0.000 0.898 267 K CB 1.267 33.711 32.500 -0.094 0.000 1.128 267 K HN 0.301 nan 8.250 nan 0.000 0.460 268 A N 3.055 125.850 122.820 -0.040 0.000 2.466 268 A HA 0.539 4.858 4.320 -0.000 0.000 0.238 268 A C 0.359 177.902 177.584 -0.068 0.000 1.074 268 A CA 0.561 52.572 52.037 -0.043 0.000 0.774 268 A CB -0.052 18.927 19.000 -0.034 0.000 1.015 268 A HN 1.385 nan 8.150 nan 0.000 0.498 269 S N -0.495 115.152 115.700 -0.089 0.000 2.661 269 S HA 0.329 4.799 4.470 -0.000 0.000 0.268 269 S C 0.377 174.848 174.600 -0.215 0.000 1.162 269 S CA 0.124 58.240 58.200 -0.140 0.000 0.817 269 S CB 0.740 63.882 63.200 -0.097 0.000 1.141 269 S HN 1.733 nan 8.310 nan 0.000 0.477 270 V N 0.516 120.233 119.914 -0.329 0.000 2.720 270 V HA 0.411 4.531 4.120 -0.000 0.000 0.256 270 V C 0.914 176.873 176.094 -0.226 0.000 1.082 270 V CA 2.260 64.308 62.300 -0.420 0.000 1.101 270 V CB -0.351 31.117 31.823 -0.591 0.000 0.693 270 V HN 1.811 nan 8.190 nan 0.000 0.479 271 G N -0.734 107.971 108.800 -0.158 0.000 2.351 271 G HA2 0.275 4.235 3.960 -0.000 0.000 0.296 271 G HA3 0.275 4.235 3.960 -0.000 0.000 0.296 271 G C -0.788 174.075 174.900 -0.062 0.000 1.685 271 G CA -0.412 44.583 45.100 -0.174 0.000 0.936 271 G HN 0.657 nan 8.290 nan 0.000 0.714 272 F N 0.942 120.913 119.950 0.035 0.000 2.496 272 F HA 0.790 5.316 4.527 -0.000 0.000 0.344 272 F C 0.703 176.604 175.800 0.168 0.000 1.155 272 F CA -0.241 57.840 58.000 0.134 0.000 1.302 272 F CB 0.858 39.947 39.000 0.149 0.000 1.159 272 F HN 0.827 nan 8.300 nan 0.000 0.595 273 G N -0.639 108.496 108.800 0.558 0.000 2.975 273 G HA2 0.713 4.673 3.960 -0.000 0.000 0.291 273 G HA3 0.713 4.673 3.960 -0.000 0.000 0.291 273 G C -0.566 174.252 174.900 -0.137 0.000 1.334 273 G CA -0.561 44.710 45.100 0.285 0.000 0.843 273 G HN 1.784 nan 8.290 nan 0.000 0.548 274 G N -1.666 106.676 108.800 -0.763 0.000 2.603 274 G HA2 0.329 4.289 3.960 -0.000 0.000 0.686 274 G HA3 0.329 4.289 3.960 -0.000 0.000 0.686 274 G C 0.633 175.170 174.900 -0.605 0.000 1.286 274 G CA 0.607 44.849 45.100 -1.430 0.000 0.871 274 G HN 1.973 nan 8.290 nan 0.000 0.568 275 S N -1.797 113.582 115.700 -0.534 0.000 2.634 275 S HA 0.293 4.763 4.470 -0.000 0.000 0.221 275 S C 1.586 176.047 174.600 -0.232 0.000 0.952 275 S CA 1.348 59.380 58.200 -0.279 0.000 0.930 275 S CB 0.101 63.173 63.200 -0.214 0.000 0.780 275 S HN 1.831 nan 8.310 nan 0.000 0.498 276 C N -0.467 118.638 119.300 -0.325 0.000 2.553 276 C HA 0.461 4.921 4.460 -0.000 0.000 0.447 276 C C 1.731 176.630 174.990 -0.151 0.000 1.351 276 C CA -0.172 58.676 59.018 -0.284 0.000 2.354 276 C CB -1.075 26.405 27.740 -0.433 0.000 2.905 276 C HN 0.461 nan 8.230 nan 0.000 0.554 277 F N 1.860 121.769 119.950 -0.070 0.000 2.074 277 F HA 0.038 4.565 4.527 -0.000 0.000 0.293 277 F C 2.642 178.454 175.800 0.020 0.000 1.116 277 F CA 1.950 59.880 58.000 -0.117 0.000 1.212 277 F CB -1.379 37.399 39.000 -0.369 0.000 0.998 277 F HN 0.305 nan 8.300 nan 0.000 0.471 278 Q N 0.587 120.620 119.800 0.389 0.000 2.084 278 Q HA -0.242 4.098 4.340 -0.000 0.000 0.202 278 Q C 2.338 178.426 176.000 0.148 0.000 0.978 278 Q CA 1.868 57.855 55.803 0.306 0.000 0.844 278 Q CB -0.155 28.725 28.738 0.236 0.000 0.898 278 Q HN 0.329 nan 8.270 nan 0.000 0.426 279 K N -0.213 120.238 120.400 0.085 0.000 2.057 279 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 279 K C 1.332 177.954 176.600 0.037 0.000 1.049 279 K CA 1.780 58.089 56.287 0.036 0.000 0.931 279 K CB 0.088 32.587 32.500 -0.002 0.000 0.714 279 K HN 0.257 nan 8.250 nan 0.000 0.440 280 D N -0.101 120.324 120.400 0.042 0.000 2.123 280 D HA -0.104 4.535 4.640 -0.000 0.000 0.200 280 D C 1.923 178.234 176.300 0.018 0.000 0.976 280 D CA 0.820 54.833 54.000 0.022 0.000 0.831 280 D CB -0.095 40.717 40.800 0.019 0.000 0.974 280 D HN -0.002 nan 8.370 nan 0.000 0.469 281 V N 1.089 121.035 119.914 0.052 0.000 2.358 281 V HA -0.183 3.937 4.120 -0.000 0.000 0.246 281 V C 2.633 178.783 176.094 0.093 0.000 1.047 281 V CA 1.022 63.358 62.300 0.060 0.000 1.035 281 V CB -0.441 31.467 31.823 0.142 0.000 0.658 281 V HN 0.207 nan 8.190 nan 0.000 0.452 282 L N 0.104 121.385 121.223 0.097 0.000 2.042 282 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 282 L C 2.523 179.451 176.870 0.097 0.000 1.076 282 L CA 1.694 56.589 54.840 0.090 0.000 0.749 282 L CB -0.696 41.395 42.059 0.053 0.000 0.893 282 L HN 0.435 nan 8.230 nan 0.000 0.432 283 N N -0.085 118.659 118.700 0.073 0.000 2.188 283 N HA -0.173 4.567 4.740 -0.000 0.000 0.184 283 N C 1.835 177.423 175.510 0.129 0.000 1.018 283 N CA 1.054 54.165 53.050 0.101 0.000 0.858 283 N CB -0.100 38.426 38.487 0.066 0.000 0.989 283 N HN 0.160 nan 8.380 nan 0.000 0.426 284 L N 1.391 122.654 121.223 0.067 0.000 2.046 284 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 284 L C 2.172 179.104 176.870 0.103 0.000 1.077 284 L CA 1.232 56.090 54.840 0.029 0.000 0.747 284 L CB -0.582 41.396 42.059 -0.136 0.000 0.896 284 L HN -0.115 nan 8.230 nan 0.000 0.432 285 V N -1.329 118.672 119.914 0.145 0.000 2.343 285 V HA -0.326 3.794 4.120 -0.000 0.000 0.247 285 V C 2.256 178.464 176.094 0.190 0.000 1.051 285 V CA 1.962 64.374 62.300 0.187 0.000 1.036 285 V CB -0.950 30.987 31.823 0.190 0.000 0.654 285 V HN 0.534 nan 8.190 nan 0.000 0.451 286 Y N 0.368 120.704 120.300 0.061 0.000 2.145 286 Y HA -0.245 4.305 4.550 0.000 0.000 0.286 286 Y C 2.259 178.187 175.900 0.046 0.000 1.145 286 Y CA 1.794 59.921 58.100 0.045 0.000 1.148 286 Y CB -0.383 38.096 38.460 0.031 0.000 0.981 286 Y HN 0.205 nan 8.280 nan 0.000 0.507 287 L N -0.318 120.977 121.223 0.121 0.000 2.012 287 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 287 L C 2.407 179.281 176.870 0.007 0.000 1.073 287 L CA 2.068 56.933 54.840 0.041 0.000 0.748 287 L CB -1.280 40.853 42.059 0.124 0.000 0.891 287 L HN 0.398 nan 8.230 nan 0.000 0.431 288 C N -0.117 119.218 119.300 0.059 0.000 2.429 288 C HA -0.142 4.318 4.460 -0.000 0.000 0.277 288 C C 2.539 177.539 174.990 0.017 0.000 1.262 288 C CA 0.957 60.013 59.018 0.064 0.000 1.733 288 C CB -1.062 26.754 27.740 0.127 0.000 2.010 288 C HN 0.600 nan 8.230 nan 0.000 0.483 289 E N 1.200 121.394 120.200 -0.010 0.000 2.077 289 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 289 E C 2.338 178.875 176.600 -0.106 0.000 0.989 289 E CA 1.461 57.831 56.400 -0.050 0.000 0.800 289 E CB -0.313 29.352 29.700 -0.058 0.000 0.746 289 E HN 0.696 nan 8.360 nan 0.000 0.452 290 A N 0.976 123.686 122.820 -0.184 0.000 2.066 290 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 290 A C 1.989 179.510 177.584 -0.106 0.000 1.157 290 A CA 0.690 52.612 52.037 -0.191 0.000 0.670 290 A CB -0.269 18.564 19.000 -0.280 0.000 0.804 290 A HN 0.115 nan 8.150 nan 0.000 0.453 291 L N -0.331 120.849 121.223 -0.070 0.000 2.612 291 L HA 0.089 4.429 4.340 -0.000 0.000 0.230 291 L C -0.123 176.733 176.870 -0.024 0.000 1.140 291 L CA -0.203 54.612 54.840 -0.042 0.000 0.896 291 L CB -0.391 41.657 42.059 -0.019 0.000 1.065 291 L HN 0.372 nan 8.230 nan 0.000 0.447 292 N N 0.835 119.519 118.700 -0.026 0.000 2.756 292 N HA -0.181 4.559 4.740 -0.000 0.000 0.248 292 N C -0.316 175.196 175.510 0.004 0.000 1.062 292 N CA 0.681 53.723 53.050 -0.013 0.000 0.696 292 N CB -1.392 37.086 38.487 -0.016 0.000 0.946 292 N HN 0.329 nan 8.380 nan 0.000 0.548 293 L N 0.532 121.766 121.223 0.017 0.000 2.784 293 L HA 0.224 4.564 4.340 -0.000 0.000 0.241 293 L C -1.203 175.699 176.870 0.052 0.000 1.352 293 L CA -1.204 53.658 54.840 0.037 0.000 0.911 293 L CB 1.016 43.108 42.059 0.055 0.000 1.227 293 L HN -0.092 nan 8.230 nan 0.000 0.501 294 P HA -0.113 nan 4.420 nan 0.000 0.223 294 P C 0.835 178.170 177.300 0.058 0.000 1.151 294 P CA 1.066 64.194 63.100 0.047 0.000 0.787 294 P CB 0.585 32.303 31.700 0.029 0.000 0.788 295 E N -0.023 120.205 120.200 0.048 0.000 2.106 295 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 295 E C 2.129 178.775 176.600 0.078 0.000 0.984 295 E CA 0.888 57.316 56.400 0.046 0.000 0.806 295 E CB -1.123 28.587 29.700 0.016 0.000 0.750 295 E HN 0.055 nan 8.360 nan 0.000 0.458 296 V N 1.019 120.991 119.914 0.097 0.000 2.358 296 V HA -0.214 3.905 4.120 -0.000 0.000 0.246 296 V C 2.231 178.502 176.094 0.294 0.000 1.047 296 V CA 1.602 64.010 62.300 0.179 0.000 1.035 296 V CB -0.887 31.053 31.823 0.195 0.000 0.658 296 V HN 0.331 nan 8.190 nan 0.000 0.452 297 A N 1.734 124.682 122.820 0.214 0.000 1.865 297 A HA -0.282 4.038 4.320 -0.000 0.000 0.217 297 A C 2.390 180.092 177.584 0.196 0.000 1.191 297 A CA 2.420 54.585 52.037 0.213 0.000 0.623 297 A CB -0.571 18.511 19.000 0.136 0.000 0.826 297 A HN 0.701 nan 8.150 nan 0.000 0.444 298 R N -2.399 118.181 120.500 0.133 0.000 2.115 298 R HA -0.114 4.226 4.340 -0.000 0.000 0.226 298 R C 2.068 178.396 176.300 0.046 0.000 1.100 298 R CA 1.559 57.708 56.100 0.082 0.000 0.980 298 R CB -0.766 29.564 30.300 0.051 0.000 0.875 298 R HN 0.494 nan 8.270 nan 0.000 0.445 299 Y N 0.807 121.053 120.300 -0.089 0.000 2.097 299 Y HA -0.229 4.321 4.550 -0.000 0.000 0.282 299 Y C 1.484 177.174 175.900 -0.351 0.000 1.152 299 Y CA 1.883 59.826 58.100 -0.263 0.000 1.136 299 Y CB -0.336 37.898 38.460 -0.376 0.000 0.975 299 Y HN 0.065 nan 8.280 nan 0.000 0.498 300 W N -0.043 121.325 121.300 0.113 0.000 2.436 300 W HA -0.106 4.554 4.660 -0.001 0.000 0.284 300 W C 2.531 179.041 176.519 -0.015 0.000 1.225 300 W CA 1.022 58.377 57.345 0.018 0.000 1.271 300 W CB -0.583 28.936 29.460 0.098 0.000 1.114 300 W HN 0.104 nan 8.180 nan 0.000 0.559 301 Q N 0.611 120.518 119.800 0.178 0.000 2.181 301 Q HA -0.240 4.099 4.340 -0.000 0.000 0.205 301 Q C 2.075 178.100 176.000 0.041 0.000 0.980 301 Q CA 1.650 57.521 55.803 0.113 0.000 0.862 301 Q CB -0.514 28.274 28.738 0.084 0.000 0.905 301 Q HN 0.166 nan 8.270 nan 0.000 0.429 302 Q N -0.658 119.111 119.800 -0.052 0.000 2.181 302 Q HA -0.116 4.223 4.340 -0.000 0.000 0.205 302 Q C 2.106 178.076 176.000 -0.050 0.000 0.980 302 Q CA 1.482 57.223 55.803 -0.103 0.000 0.862 302 Q CB -0.391 28.207 28.738 -0.235 0.000 0.905 302 Q HN 0.367 nan 8.270 nan 0.000 0.429 303 V N 0.988 120.900 119.914 -0.002 0.000 2.343 303 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 303 V C 2.248 178.453 176.094 0.184 0.000 1.051 303 V CA 1.237 63.598 62.300 0.102 0.000 1.036 303 V CB -0.464 31.472 31.823 0.187 0.000 0.654 303 V HN 0.247 nan 8.190 nan 0.000 0.451 304 I N 0.207 120.875 120.570 0.163 0.000 2.233 304 I HA -0.133 4.037 4.170 -0.000 0.000 0.243 304 I C 2.302 178.432 176.117 0.021 0.000 1.093 304 I CA 1.401 62.768 61.300 0.112 0.000 1.380 304 I CB -1.468 36.595 38.000 0.105 0.000 1.067 304 I HN 0.313 nan 8.210 nan 0.000 0.413 305 D N 0.478 120.891 120.400 0.022 0.000 2.158 305 D HA -0.239 4.400 4.640 -0.000 0.000 0.197 305 D C 2.085 178.398 176.300 0.021 0.000 0.995 305 D CA 1.242 55.246 54.000 0.005 0.000 0.846 305 D CB -0.254 40.538 40.800 -0.013 0.000 0.941 305 D HN 0.214 nan 8.370 nan 0.000 0.456 306 M N 0.690 120.302 119.600 0.021 0.000 2.200 306 M HA -0.066 4.413 4.480 -0.000 0.000 0.265 306 M C 1.501 177.839 176.300 0.062 0.000 1.066 306 M CA 1.314 56.654 55.300 0.067 0.000 1.127 306 M CB -0.491 32.133 32.600 0.039 0.000 1.379 306 M HN -0.173 nan 8.290 nan 0.000 0.420 307 N N 0.418 119.090 118.700 -0.048 0.000 2.120 307 N HA -0.157 4.583 4.740 -0.000 0.000 0.188 307 N C 1.108 176.499 175.510 -0.199 0.000 1.024 307 N CA 1.766 54.677 53.050 -0.231 0.000 0.852 307 N CB -0.213 37.918 38.487 -0.594 0.000 1.003 307 N HN 0.382 nan 8.380 nan 0.000 0.424 308 D N -1.100 119.220 120.400 -0.133 0.000 2.144 308 D HA -0.161 4.479 4.640 -0.000 0.000 0.200 308 D C 1.564 177.868 176.300 0.006 0.000 0.978 308 D CA 0.697 54.641 54.000 -0.093 0.000 0.833 308 D CB -0.431 40.331 40.800 -0.062 0.000 0.961 308 D HN 0.446 nan 8.370 nan 0.000 0.470 309 Y N 1.404 121.661 120.300 -0.073 0.000 2.242 309 Y HA -0.203 4.347 4.550 -0.000 0.000 0.291 309 Y C 2.366 178.233 175.900 -0.055 0.000 1.137 309 Y CA 1.566 59.633 58.100 -0.055 0.000 1.181 309 Y CB -0.225 38.206 38.460 -0.048 0.000 0.989 309 Y HN -0.156 nan 8.280 nan 0.000 0.527 310 Q N 0.747 120.419 119.800 -0.213 0.000 2.084 310 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 310 Q C 2.298 178.171 176.000 -0.212 0.000 0.978 310 Q CA 2.016 57.651 55.803 -0.281 0.000 0.844 310 Q CB -0.198 28.456 28.738 -0.140 0.000 0.898 310 Q HN 0.479 nan 8.270 nan 0.000 0.426 311 R N -0.533 119.882 120.500 -0.140 0.000 2.070 311 R HA -0.112 4.227 4.340 -0.000 0.000 0.233 311 R C 2.510 178.775 176.300 -0.060 0.000 1.137 311 R CA 1.691 57.768 56.100 -0.039 0.000 0.945 311 R CB -0.359 29.943 30.300 0.004 0.000 0.845 311 R HN 0.211 nan 8.270 nan 0.000 0.430 312 R N 1.249 121.661 120.500 -0.147 0.000 2.105 312 R HA -0.160 4.180 4.340 -0.000 0.000 0.239 312 R C 2.364 178.436 176.300 -0.380 0.000 1.135 312 R CA 1.874 57.750 56.100 -0.374 0.000 0.967 312 R CB -0.062 30.115 30.300 -0.206 0.000 0.861 312 R HN 0.248 nan 8.270 nan 0.000 0.442 313 R N -1.098 119.196 120.500 -0.344 0.000 2.119 313 R HA -0.090 4.250 4.340 -0.000 0.000 0.222 313 R C 2.003 178.188 176.300 -0.192 0.000 1.088 313 R CA 1.016 56.928 56.100 -0.315 0.000 0.984 313 R CB -0.779 29.241 30.300 -0.467 0.000 0.884 313 R HN 0.165 nan 8.270 nan 0.000 0.447 314 F N 2.631 122.405 119.950 -0.295 0.000 2.095 314 F HA -0.076 4.451 4.527 -0.000 0.000 0.298 314 F C 2.489 178.118 175.800 -0.285 0.000 1.104 314 F CA 1.511 59.372 58.000 -0.231 0.000 1.232 314 F CB -0.563 38.337 39.000 -0.166 0.000 0.987 314 F HN 0.146 nan 8.300 nan 0.000 0.475 315 A N -0.936 121.696 122.820 -0.312 0.000 1.933 315 A HA -0.161 4.158 4.320 -0.000 0.000 0.218 315 A C 2.379 179.680 177.584 -0.470 0.000 1.175 315 A CA 1.990 53.765 52.037 -0.436 0.000 0.628 315 A CB -1.218 17.507 19.000 -0.458 0.000 0.814 315 A HN 0.410 nan 8.150 nan 0.000 0.444 316 S N -0.774 114.680 115.700 -0.410 0.000 2.402 316 S HA -0.105 4.365 4.470 -0.000 0.000 0.229 316 S C 2.052 176.458 174.600 -0.323 0.000 1.021 316 S CA 1.176 59.180 58.200 -0.325 0.000 0.974 316 S CB -0.241 62.809 63.200 -0.249 0.000 0.800 316 S HN 0.600 nan 8.310 nan 0.000 0.484 317 R N 0.595 120.877 120.500 -0.363 0.000 2.066 317 R HA 0.064 4.404 4.340 -0.000 0.000 0.232 317 R C 2.172 178.130 176.300 -0.570 0.000 1.131 317 R CA 1.186 57.081 56.100 -0.343 0.000 0.955 317 R CB -0.488 29.659 30.300 -0.254 0.000 0.851 317 R HN 0.364 nan 8.270 nan 0.000 0.432 318 I N 0.768 120.760 120.570 -0.963 0.000 2.091 318 I HA -0.361 3.809 4.170 -0.000 0.000 0.239 318 I C 2.248 177.929 176.117 -0.727 0.000 1.061 318 I CA 1.682 62.206 61.300 -1.293 0.000 1.317 318 I CB -0.306 36.974 38.000 -1.200 0.000 1.031 318 I HN 0.134 nan 8.210 nan 0.000 0.401 319 I N 0.284 120.551 120.570 -0.506 0.000 2.252 319 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 319 I C 2.066 178.007 176.117 -0.293 0.000 1.102 319 I CA 1.327 62.419 61.300 -0.347 0.000 1.385 319 I CB -0.493 37.359 38.000 -0.248 0.000 1.064 319 I HN 0.217 nan 8.210 nan 0.000 0.414 320 D N 0.519 120.764 120.400 -0.258 0.000 2.104 320 D HA -0.160 4.480 4.640 -0.000 0.000 0.194 320 D C 2.384 178.568 176.300 -0.193 0.000 0.994 320 D CA 1.376 55.276 54.000 -0.166 0.000 0.830 320 D CB -0.264 40.465 40.800 -0.118 0.000 0.959 320 D HN 0.125 nan 8.370 nan 0.000 0.452 321 S N -0.233 115.287 115.700 -0.299 0.000 2.419 321 S HA -0.023 4.447 4.470 -0.000 0.000 0.233 321 S C 1.537 175.728 174.600 -0.683 0.000 1.016 321 S CA 0.420 58.394 58.200 -0.377 0.000 0.974 321 S CB -0.016 62.954 63.200 -0.382 0.000 0.786 321 S HN 0.267 nan 8.310 nan 0.000 0.492 322 L N 1.160 121.970 121.223 -0.689 0.000 2.851 322 L HA 0.339 4.679 4.340 -0.000 0.000 0.237 322 L C -0.454 176.005 176.870 -0.685 0.000 1.257 322 L CA -0.113 54.220 54.840 -0.846 0.000 1.061 322 L CB -0.730 40.997 42.059 -0.553 0.000 1.372 322 L HN 0.267 nan 8.230 nan 0.000 0.493 323 F N -1.129 118.771 119.950 -0.084 0.000 3.057 323 F HA -0.334 4.193 4.527 -0.000 0.000 0.287 323 F C 1.173 176.934 175.800 -0.066 0.000 0.834 323 F CA 0.373 58.343 58.000 -0.051 0.000 1.147 323 F CB -2.138 36.849 39.000 -0.023 0.000 1.245 323 F HN 0.477 nan 8.300 nan 0.000 0.509 324 N N -0.190 118.514 118.700 0.007 0.000 2.713 324 N HA -0.224 4.516 4.740 -0.000 0.000 0.251 324 N C -0.221 175.274 175.510 -0.024 0.000 1.117 324 N CA 1.648 54.682 53.050 -0.026 0.000 0.770 324 N CB -0.608 37.879 38.487 0.001 0.000 1.137 324 N HN 0.650 nan 8.380 nan 0.000 0.566 325 T N -1.578 112.959 114.554 -0.029 0.000 2.886 325 T HA 0.617 4.967 4.350 -0.000 0.000 0.292 325 T C -0.128 174.503 174.700 -0.116 0.000 1.012 325 T CA 0.033 62.107 62.100 -0.044 0.000 0.982 325 T CB 1.539 70.411 68.868 0.007 0.000 1.018 325 T HN 0.134 nan 8.240 nan 0.000 0.451 326 V N 4.119 123.961 119.914 -0.121 0.000 3.415 326 V HA 0.333 4.453 4.120 -0.000 0.000 0.315 326 V C 0.408 176.412 176.094 -0.149 0.000 1.516 326 V CA -0.009 62.190 62.300 -0.169 0.000 1.122 326 V CB 0.309 32.031 31.823 -0.169 0.000 0.988 326 V HN 0.966 nan 8.190 nan 0.000 0.474 327 T N 2.092 116.577 114.554 -0.116 0.000 2.902 327 T HA 0.160 4.510 4.350 -0.000 0.000 0.301 327 T C 0.646 175.235 174.700 -0.186 0.000 1.012 327 T CA 1.157 63.188 62.100 -0.116 0.000 1.151 327 T CB 0.363 69.192 68.868 -0.065 0.000 0.946 327 T HN 0.621 nan 8.240 nan 0.000 0.542 328 D N 0.811 121.014 120.400 -0.329 0.000 3.028 328 D HA -0.147 4.493 4.640 -0.000 0.000 0.211 328 D C 0.185 176.245 176.300 -0.401 0.000 1.136 328 D CA 1.294 54.950 54.000 -0.573 0.000 0.987 328 D CB -0.510 40.144 40.800 -0.243 0.000 1.128 328 D HN 0.594 nan 8.370 nan 0.000 0.406 329 K N 0.781 121.023 120.400 -0.264 0.000 2.249 329 K HA 0.232 4.552 4.320 -0.000 0.000 0.280 329 K C 0.647 177.260 176.600 0.022 0.000 1.033 329 K CA -0.309 55.888 56.287 -0.149 0.000 0.946 329 K CB 1.553 33.796 32.500 -0.428 0.000 1.005 329 K HN -0.009 nan 8.250 nan 0.000 0.469 330 K N 3.983 124.508 120.400 0.208 0.000 2.258 330 K HA 0.280 4.600 4.320 -0.000 0.000 0.284 330 K C -0.840 175.865 176.600 0.174 0.000 1.051 330 K CA -0.278 56.121 56.287 0.187 0.000 0.923 330 K CB 0.504 33.052 32.500 0.080 0.000 1.046 330 K HN 0.509 nan 8.250 nan 0.000 0.474 331 I N 3.470 124.135 120.570 0.158 0.000 2.478 331 I HA 0.256 4.426 4.170 -0.000 0.000 0.287 331 I C -0.448 175.756 176.117 0.145 0.000 1.042 331 I CA -1.022 60.360 61.300 0.136 0.000 1.067 331 I CB 2.002 40.058 38.000 0.094 0.000 1.233 331 I HN 0.680 nan 8.210 nan 0.000 0.431 332 A N 7.742 130.632 122.820 0.117 0.000 2.354 332 A HA 0.558 4.878 4.320 -0.000 0.000 0.281 332 A C -0.286 177.366 177.584 0.113 0.000 1.174 332 A CA -0.205 51.897 52.037 0.109 0.000 0.828 332 A CB 0.098 19.130 19.000 0.052 0.000 1.099 332 A HN 0.527 nan 8.150 nan 0.000 0.516 333 I N 4.599 125.254 120.570 0.143 0.000 2.307 333 I HA 0.166 4.335 4.170 -0.000 0.000 0.287 333 I C -0.307 175.898 176.117 0.146 0.000 1.054 333 I CA -0.040 61.357 61.300 0.161 0.000 1.218 333 I CB 0.541 38.675 38.000 0.224 0.000 1.398 333 I HN 0.514 nan 8.210 nan 0.000 0.475 334 L N 6.150 127.393 121.223 0.032 0.000 2.268 334 L HA 0.600 4.939 4.340 -0.000 0.000 0.289 334 L C 0.628 177.568 176.870 0.117 0.000 1.064 334 L CA -0.309 54.457 54.840 -0.123 0.000 0.824 334 L CB 0.646 42.256 42.059 -0.749 0.000 1.202 334 L HN 0.828 nan 8.230 nan 0.000 0.433 335 G N 2.249 111.306 108.800 0.429 0.000 3.233 335 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.686 335 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.686 335 G C -0.818 174.365 174.900 0.473 0.000 1.153 335 G CA -0.669 44.804 45.100 0.622 0.000 0.853 335 G HN 0.493 nan 8.290 nan 0.000 0.582 336 F N 1.951 122.069 119.950 0.280 0.000 2.819 336 F HA 0.632 5.159 4.527 -0.000 0.000 0.325 336 F C 1.757 177.673 175.800 0.193 0.000 1.041 336 F CA 1.176 59.287 58.000 0.184 0.000 1.184 336 F CB 0.365 39.430 39.000 0.108 0.000 1.019 336 F HN 1.036 nan 8.300 nan 0.000 0.590 337 A N 0.757 123.794 122.820 0.362 0.000 2.466 337 A HA 0.156 4.476 4.320 -0.000 0.000 0.238 337 A C 0.921 178.547 177.584 0.070 0.000 1.074 337 A CA 0.178 52.350 52.037 0.224 0.000 0.774 337 A CB -0.508 18.635 19.000 0.238 0.000 1.015 337 A HN 0.551 nan 8.150 nan 0.000 0.498 338 F N 0.308 120.255 119.950 -0.006 0.000 2.365 338 F HA 0.161 4.688 4.527 -0.000 0.000 0.300 338 F C 0.675 176.447 175.800 -0.046 0.000 1.090 338 F CA 0.923 58.905 58.000 -0.029 0.000 1.408 338 F CB -0.244 38.746 39.000 -0.016 0.000 1.060 338 F HN 0.626 nan 8.300 nan 0.000 0.534 339 K N 0.438 120.326 120.400 -0.853 0.000 2.556 339 K HA 0.338 4.658 4.320 -0.000 0.000 0.289 339 K C -1.209 174.914 176.600 -0.795 0.000 1.040 339 K CA -1.209 54.648 56.287 -0.716 0.000 0.894 339 K CB 1.218 33.250 32.500 -0.781 0.000 1.547 339 K HN 0.137 nan 8.250 nan 0.000 0.417 340 K N 0.245 120.149 120.400 -0.826 0.000 2.180 340 K HA 0.133 4.453 4.320 -0.000 0.000 0.251 340 K C -0.842 175.164 176.600 -0.990 0.000 1.014 340 K CA 0.192 55.689 56.287 -1.317 0.000 0.913 340 K CB 0.109 32.042 32.500 -0.945 0.000 1.008 340 K HN 0.648 nan 8.250 nan 0.000 0.490 341 D N -0.515 119.175 120.400 -1.185 0.000 2.837 341 D HA -0.161 4.479 4.640 -0.000 0.000 0.230 341 D C -0.726 175.610 176.300 0.059 0.000 1.152 341 D CA 1.804 55.727 54.000 -0.128 0.000 0.736 341 D CB -1.356 39.397 40.800 -0.079 0.000 1.084 341 D HN 0.782 nan 8.370 nan 0.000 0.429 342 T N -3.213 111.419 114.554 0.131 0.000 2.802 342 T HA 0.579 4.929 4.350 -0.000 0.000 0.311 342 T C 0.851 175.794 174.700 0.405 0.000 1.405 342 T CA 0.012 62.277 62.100 0.275 0.000 1.016 342 T CB 1.649 70.545 68.868 0.046 0.000 1.352 342 T HN -0.061 nan 8.240 nan 0.000 0.498 343 G N 0.788 109.831 108.800 0.406 0.000 3.088 343 G HA2 0.182 4.141 3.960 -0.000 0.000 0.217 343 G HA3 0.182 4.141 3.960 -0.000 0.000 0.217 343 G C 0.236 175.315 174.900 0.298 0.000 1.159 343 G CA -0.095 45.209 45.100 0.340 0.000 0.760 343 G HN 0.695 nan 8.290 nan 0.000 0.550 344 D N 1.353 121.902 120.400 0.247 0.000 2.434 344 D HA 0.129 4.768 4.640 -0.000 0.000 0.252 344 D C 1.616 178.080 176.300 0.274 0.000 1.185 344 D CA 0.439 54.519 54.000 0.133 0.000 0.886 344 D CB 1.267 42.012 40.800 -0.091 0.000 1.148 344 D HN 0.156 nan 8.370 nan 0.000 0.483 345 T N 0.624 115.310 114.554 0.219 0.000 3.092 345 T HA 0.189 4.539 4.350 -0.000 0.000 0.258 345 T C 0.906 175.676 174.700 0.116 0.000 1.031 345 T CA -0.446 61.782 62.100 0.214 0.000 0.925 345 T CB 0.100 69.125 68.868 0.261 0.000 1.036 345 T HN 0.201 nan 8.240 nan 0.000 0.544 346 R N 2.477 123.001 120.500 0.039 0.000 2.484 346 R HA 0.116 4.456 4.340 -0.000 0.000 0.293 346 R C 0.131 176.384 176.300 -0.078 0.000 1.023 346 R CA -0.052 56.017 56.100 -0.052 0.000 1.037 346 R CB 0.048 30.271 30.300 -0.128 0.000 0.951 346 R HN 0.231 nan 8.270 nan 0.000 0.418 347 E N -0.314 119.895 120.200 0.015 0.000 2.660 347 E HA -0.231 4.118 4.350 -0.000 0.000 0.260 347 E C -0.353 176.335 176.600 0.147 0.000 1.122 347 E CA 1.047 57.521 56.400 0.122 0.000 0.755 347 E CB -1.478 28.261 29.700 0.065 0.000 1.345 347 E HN 0.601 nan 8.360 nan 0.000 0.421 348 S N -0.290 115.467 115.700 0.094 0.000 2.546 348 S HA 0.128 4.598 4.470 -0.000 0.000 0.290 348 S C 1.507 176.152 174.600 0.075 0.000 1.290 348 S CA 0.479 58.730 58.200 0.086 0.000 1.069 348 S CB 0.829 63.983 63.200 -0.078 0.000 0.846 348 S HN 0.223 nan 8.310 nan 0.000 0.495 349 S N 3.969 119.726 115.700 0.096 0.000 2.419 349 S HA -0.101 4.369 4.470 -0.000 0.000 0.235 349 S C 2.097 176.732 174.600 0.057 0.000 1.019 349 S CA 1.486 59.752 58.200 0.111 0.000 0.982 349 S CB -0.310 62.907 63.200 0.028 0.000 0.789 349 S HN 0.819 nan 8.310 nan 0.000 0.490 350 S N 1.844 117.478 115.700 -0.110 0.000 2.383 350 S HA -0.061 4.409 4.470 -0.000 0.000 0.229 350 S C 1.728 176.134 174.600 -0.322 0.000 1.030 350 S CA 1.033 59.099 58.200 -0.223 0.000 1.002 350 S CB -0.456 62.483 63.200 -0.435 0.000 0.829 350 S HN 0.468 nan 8.310 nan 0.000 0.467 351 I N 0.185 120.439 120.570 -0.528 0.000 2.118 351 I HA -0.269 3.901 4.170 -0.000 0.000 0.241 351 I C 2.134 178.084 176.117 -0.278 0.000 1.070 351 I CA 1.736 62.795 61.300 -0.401 0.000 1.327 351 I CB -0.451 37.239 38.000 -0.515 0.000 1.034 351 I HN 0.283 nan 8.210 nan 0.000 0.405 352 Y N -0.088 120.163 120.300 -0.082 0.000 2.263 352 Y HA -0.128 4.422 4.550 -0.000 0.000 0.292 352 Y C 2.443 178.373 175.900 0.051 0.000 1.130 352 Y CA 0.675 58.735 58.100 -0.067 0.000 1.179 352 Y CB -0.148 38.285 38.460 -0.044 0.000 0.998 352 Y HN 0.053 nan 8.280 nan 0.000 0.532 353 I N -0.802 119.923 120.570 0.259 0.000 2.315 353 I HA -0.252 3.917 4.170 -0.000 0.000 0.248 353 I C 2.243 178.473 176.117 0.188 0.000 1.117 353 I CA 1.245 62.712 61.300 0.279 0.000 1.404 353 I CB -1.384 36.768 38.000 0.253 0.000 1.071 353 I HN 0.117 nan 8.210 nan 0.000 0.419 354 S N 0.690 116.470 115.700 0.132 0.000 2.368 354 S HA -0.142 4.328 4.470 -0.000 0.000 0.225 354 S C 1.964 176.610 174.600 0.076 0.000 1.030 354 S CA 1.091 59.371 58.200 0.133 0.000 0.999 354 S CB -0.069 63.261 63.200 0.216 0.000 0.844 354 S HN 0.397 nan 8.310 nan 0.000 0.459 355 K N 0.246 120.644 120.400 -0.002 0.000 2.057 355 K HA -0.056 4.263 4.320 -0.000 0.000 0.206 355 K C 1.861 178.431 176.600 -0.051 0.000 1.050 355 K CA 1.155 57.396 56.287 -0.077 0.000 0.935 355 K CB -0.443 31.932 32.500 -0.208 0.000 0.715 355 K HN 0.477 nan 8.250 nan 0.000 0.439 356 Y N 1.295 121.610 120.300 0.025 0.000 2.165 356 Y HA -0.214 4.336 4.550 -0.000 0.000 0.286 356 Y C 2.317 178.205 175.900 -0.020 0.000 1.155 356 Y CA 0.943 59.045 58.100 0.003 0.000 1.164 356 Y CB -0.196 38.258 38.460 -0.009 0.000 0.978 356 Y HN -0.034 nan 8.280 nan 0.000 0.513 357 L N -1.121 120.188 121.223 0.143 0.000 2.156 357 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 357 L C 2.268 179.169 176.870 0.051 0.000 1.095 357 L CA 0.934 55.807 54.840 0.054 0.000 0.770 357 L CB -0.403 41.673 42.059 0.029 0.000 0.914 357 L HN 0.314 nan 8.230 nan 0.000 0.439 358 M N -0.453 119.185 119.600 0.063 0.000 2.213 358 M HA -0.217 4.263 4.480 -0.000 0.000 0.263 358 M C 1.553 177.885 176.300 0.053 0.000 1.062 358 M CA 1.503 56.840 55.300 0.060 0.000 1.105 358 M CB -0.332 32.301 32.600 0.055 0.000 1.385 358 M HN 0.116 nan 8.290 nan 0.000 0.417 359 D N 0.146 120.578 120.400 0.053 0.000 2.371 359 D HA -0.101 4.539 4.640 -0.000 0.000 0.221 359 D C 1.445 177.771 176.300 0.043 0.000 0.986 359 D CA 0.829 54.861 54.000 0.052 0.000 0.899 359 D CB 0.242 41.079 40.800 0.062 0.000 0.902 359 D HN 0.180 nan 8.370 nan 0.000 0.530 360 E N -0.936 119.282 120.200 0.031 0.000 2.481 360 E HA 0.213 4.563 4.350 -0.000 0.000 0.198 360 E C 1.386 177.979 176.600 -0.010 0.000 1.027 360 E CA 0.506 56.907 56.400 0.001 0.000 0.900 360 E CB 0.699 30.383 29.700 -0.027 0.000 0.993 360 E HN 0.268 nan 8.360 nan 0.000 0.482 361 G N 1.467 110.274 108.800 0.011 0.000 2.141 361 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.242 361 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.242 361 G C 0.562 175.458 174.900 -0.007 0.000 0.982 361 G CA 0.155 45.261 45.100 0.010 0.000 0.662 361 G HN 0.484 nan 8.290 nan 0.000 0.527 362 A N -0.068 122.756 122.820 0.006 0.000 2.466 362 A HA 0.537 4.856 4.320 -0.000 0.000 0.238 362 A C 0.260 177.936 177.584 0.153 0.000 1.074 362 A CA 0.282 52.327 52.037 0.013 0.000 0.774 362 A CB 0.122 19.136 19.000 0.023 0.000 1.015 362 A HN 0.636 nan 8.150 nan 0.000 0.498 363 H N 1.507 120.627 119.070 0.083 0.000 2.724 363 H HA 0.334 4.890 4.556 -0.000 0.000 0.278 363 H C -0.702 174.752 175.328 0.210 0.000 1.159 363 H CA -0.549 55.579 56.048 0.134 0.000 1.254 363 H CB 0.438 30.304 29.762 0.174 0.000 1.412 363 H HN 0.473 nan 8.280 nan 0.000 0.488 364 L N 4.479 125.858 121.223 0.259 0.000 2.305 364 L HA 0.207 4.547 4.340 -0.000 0.000 0.281 364 L C 0.296 177.292 176.870 0.211 0.000 1.085 364 L CA -0.201 54.770 54.840 0.219 0.000 0.813 364 L CB 0.596 42.734 42.059 0.132 0.000 1.157 364 L HN 0.632 nan 8.230 nan 0.000 0.436 365 H N 5.204 124.322 119.070 0.080 0.000 2.685 365 H HA 0.428 4.984 4.556 -0.000 0.000 0.307 365 H C -0.496 174.875 175.328 0.073 0.000 1.017 365 H CA -0.586 55.499 56.048 0.061 0.000 1.237 365 H CB 1.638 31.437 29.762 0.061 0.000 1.409 365 H HN 0.437 nan 8.280 nan 0.000 0.488 366 I N 3.729 124.366 120.570 0.111 0.000 2.353 366 I HA 0.132 4.302 4.170 -0.000 0.000 0.293 366 I C -0.667 175.525 176.117 0.126 0.000 0.992 366 I CA -0.658 60.703 61.300 0.102 0.000 1.268 366 I CB 1.033 39.018 38.000 -0.025 0.000 1.387 366 I HN 0.478 nan 8.210 nan 0.000 0.478 367 Y N 6.067 126.399 120.300 0.054 0.000 2.462 367 Y HA 0.511 5.061 4.550 -0.000 0.000 0.346 367 Y C -1.191 174.778 175.900 0.116 0.000 0.976 367 Y CA -0.656 57.471 58.100 0.045 0.000 1.044 367 Y CB 1.600 40.077 38.460 0.028 0.000 1.230 367 Y HN 0.528 nan 8.280 nan 0.000 0.455 368 D N 7.095 126.905 120.400 -0.984 0.000 2.977 368 D HA 0.227 4.867 4.640 -0.000 0.000 0.220 368 D C -2.429 173.178 176.300 -1.155 0.000 1.267 368 D CA -1.697 51.837 54.000 -0.777 0.000 0.884 368 D CB 3.129 43.831 40.800 -0.163 0.000 1.667 368 D HN 0.379 nan 8.370 nan 0.000 0.536 369 P HA 0.002 nan 4.420 nan 0.000 0.230 369 P C 0.586 177.524 177.300 -0.603 0.000 1.158 369 P CA 0.602 63.214 63.100 -0.815 0.000 0.769 369 P CB 0.677 31.861 31.700 -0.860 0.000 0.807 370 K N -1.441 118.663 120.400 -0.494 0.000 2.538 370 K HA 0.184 4.504 4.320 -0.000 0.000 0.215 370 K C 0.301 176.857 176.600 -0.075 0.000 1.345 370 K CA 0.049 56.193 56.287 -0.239 0.000 0.985 370 K CB 0.879 33.322 32.500 -0.096 0.000 1.116 370 K HN -0.005 nan 8.250 nan 0.000 0.582 371 V N 5.196 125.078 119.914 -0.054 0.000 2.508 371 V HA 0.119 4.239 4.120 -0.000 0.000 0.281 371 V C -2.213 173.841 176.094 -0.067 0.000 1.041 371 V CA -1.314 60.995 62.300 0.015 0.000 1.016 371 V CB 0.448 32.324 31.823 0.089 0.000 0.984 371 V HN 0.034 nan 8.190 nan 0.000 0.478 372 P HA 0.111 nan 4.420 nan 0.000 0.268 372 P C 0.854 178.102 177.300 -0.087 0.000 1.204 372 P CA -0.278 62.785 63.100 -0.062 0.000 0.768 372 P CB 0.430 32.110 31.700 -0.033 0.000 0.842 373 R N 2.836 123.276 120.500 -0.100 0.000 2.103 373 R HA -0.239 4.101 4.340 -0.000 0.000 0.242 373 R C 0.961 177.198 176.300 -0.105 0.000 1.142 373 R CA 1.893 57.923 56.100 -0.117 0.000 0.960 373 R CB -0.641 29.602 30.300 -0.095 0.000 0.858 373 R HN 0.314 nan 8.270 nan 0.000 0.439 374 E N 0.568 120.725 120.200 -0.071 0.000 2.153 374 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 374 E C 1.994 178.568 176.600 -0.043 0.000 0.988 374 E CA 1.424 57.793 56.400 -0.052 0.000 0.811 374 E CB -0.105 29.575 29.700 -0.034 0.000 0.746 374 E HN 0.385 nan 8.360 nan 0.000 0.466 375 Q N 0.541 120.321 119.800 -0.035 0.000 2.119 375 Q HA -0.049 4.291 4.340 -0.000 0.000 0.201 375 Q C 1.834 177.819 176.000 -0.025 0.000 0.972 375 Q CA 1.265 57.068 55.803 -0.000 0.000 0.847 375 Q CB -0.106 28.656 28.738 0.040 0.000 0.903 375 Q HN 0.367 nan 8.270 nan 0.000 0.433 376 I N -0.758 119.724 120.570 -0.146 0.000 2.226 376 I HA -0.239 3.931 4.170 -0.000 0.000 0.245 376 I C 1.947 177.945 176.117 -0.198 0.000 1.100 376 I CA 0.848 61.931 61.300 -0.361 0.000 1.374 376 I CB -0.305 37.300 38.000 -0.658 0.000 1.057 376 I HN 0.042 nan 8.210 nan 0.000 0.413 377 V N 0.352 120.187 119.914 -0.131 0.000 2.548 377 V HA -0.178 3.942 4.120 -0.000 0.000 0.249 377 V C 2.441 178.518 176.094 -0.028 0.000 1.055 377 V CA 1.166 63.421 62.300 -0.076 0.000 1.065 377 V CB -0.132 31.651 31.823 -0.067 0.000 0.681 377 V HN 0.227 nan 8.190 nan 0.000 0.462 378 V N 0.188 120.094 119.914 -0.014 0.000 2.295 378 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 378 V C 2.270 178.376 176.094 0.020 0.000 1.049 378 V CA 2.235 64.541 62.300 0.010 0.000 1.024 378 V CB -0.622 31.213 31.823 0.020 0.000 0.648 378 V HN 0.546 nan 8.190 nan 0.000 0.447 379 D N -0.071 120.355 120.400 0.044 0.000 2.178 379 D HA -0.053 4.587 4.640 -0.000 0.000 0.202 379 D C 1.795 178.117 176.300 0.036 0.000 0.974 379 D CA 1.067 55.112 54.000 0.074 0.000 0.841 379 D CB -0.072 40.870 40.800 0.236 0.000 0.953 379 D HN 0.347 nan 8.370 nan 0.000 0.478 380 L N 0.069 121.317 121.223 0.041 0.000 2.611 380 L HA 0.119 4.459 4.340 -0.000 0.000 0.229 380 L C 0.515 177.383 176.870 -0.004 0.000 1.137 380 L CA 0.028 54.877 54.840 0.015 0.000 0.901 380 L CB 0.238 42.318 42.059 0.035 0.000 1.098 380 L HN -0.223 nan 8.230 nan 0.000 0.456 381 S N -1.938 113.764 115.700 0.004 0.000 2.638 381 S HA 0.410 4.880 4.470 -0.000 0.000 0.298 381 S C -0.463 174.157 174.600 0.033 0.000 1.111 381 S CA -0.590 57.648 58.200 0.063 0.000 1.027 381 S CB 1.027 64.260 63.200 0.056 0.000 1.064 381 S HN 0.143 nan 8.310 nan 0.000 0.525 382 H N 2.496 121.562 119.070 -0.008 0.000 2.803 382 H HA 0.239 4.794 4.556 -0.000 0.000 0.330 382 H C -2.076 173.254 175.328 0.003 0.000 1.057 382 H CA -0.977 55.069 56.048 -0.004 0.000 1.458 382 H CB -0.078 29.683 29.762 -0.001 0.000 1.470 382 H HN 0.285 nan 8.280 nan 0.000 0.560 383 P HA 0.010 nan 4.420 nan 0.000 0.264 383 P C 0.745 178.086 177.300 0.070 0.000 1.183 383 P CA 0.656 63.789 63.100 0.056 0.000 0.763 383 P CB 0.508 32.234 31.700 0.043 0.000 0.807 384 G N 0.584 109.417 108.800 0.055 0.000 2.198 384 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.260 384 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.260 384 G C 0.054 174.980 174.900 0.044 0.000 1.025 384 G CA 0.058 45.187 45.100 0.047 0.000 0.769 384 G HN 0.880 nan 8.290 nan 0.000 0.507 385 V N -1.311 118.634 119.914 0.051 0.000 2.357 385 V HA 0.766 4.886 4.120 -0.000 0.000 0.281 385 V C 0.984 177.098 176.094 0.033 0.000 1.015 385 V CA 0.652 62.976 62.300 0.040 0.000 0.827 385 V CB 1.419 33.273 31.823 0.052 0.000 1.018 385 V HN 0.283 nan 8.190 nan 0.000 0.432 386 S N 2.609 118.321 115.700 0.020 0.000 2.461 386 S HA 0.054 4.524 4.470 -0.000 0.000 0.228 386 S C 0.793 175.397 174.600 0.007 0.000 1.005 386 S CA 0.924 59.132 58.200 0.014 0.000 0.942 386 S CB 0.145 63.352 63.200 0.011 0.000 0.776 386 S HN 0.826 nan 8.310 nan 0.000 0.514 387 E N 1.900 122.102 120.200 0.004 0.000 2.220 387 E HA 0.176 4.526 4.350 -0.000 0.000 0.256 387 E C -1.824 174.775 176.600 -0.002 0.000 0.881 387 E CA -0.274 56.125 56.400 -0.002 0.000 0.766 387 E CB 1.038 30.733 29.700 -0.008 0.000 1.187 387 E HN 0.040 nan 8.360 nan 0.000 0.419 388 D N 3.297 123.701 120.400 0.006 0.000 2.274 388 D HA 0.051 4.691 4.640 -0.000 0.000 0.239 388 D C 0.614 176.908 176.300 -0.008 0.000 1.104 388 D CA -0.273 53.730 54.000 0.006 0.000 0.840 388 D CB 1.440 42.281 40.800 0.069 0.000 1.100 388 D HN 0.385 nan 8.370 nan 0.000 0.477 389 D N 2.474 122.856 120.400 -0.031 0.000 2.144 389 D HA -0.190 4.450 4.640 -0.000 0.000 0.199 389 D C 1.552 177.845 176.300 -0.012 0.000 0.984 389 D CA 1.279 55.264 54.000 -0.026 0.000 0.834 389 D CB 0.241 41.020 40.800 -0.035 0.000 0.955 389 D HN 0.531 nan 8.370 nan 0.000 0.465 390 Q N -0.360 119.438 119.800 -0.004 0.000 2.119 390 Q HA -0.092 4.248 4.340 -0.000 0.000 0.201 390 Q C 2.100 178.119 176.000 0.033 0.000 0.972 390 Q CA 0.913 56.732 55.803 0.027 0.000 0.847 390 Q CB 0.181 28.953 28.738 0.057 0.000 0.903 390 Q HN 0.180 nan 8.270 nan 0.000 0.433 391 V N 0.872 120.805 119.914 0.032 0.000 2.307 391 V HA -0.239 3.880 4.120 -0.000 0.000 0.245 391 V C 2.341 178.423 176.094 -0.020 0.000 1.045 391 V CA 1.998 64.304 62.300 0.011 0.000 1.024 391 V CB -0.542 31.288 31.823 0.011 0.000 0.651 391 V HN 0.527 nan 8.190 nan 0.000 0.449 392 S N -0.316 115.370 115.700 -0.024 0.000 2.453 392 S HA -0.128 4.342 4.470 -0.000 0.000 0.231 392 S C 1.986 176.555 174.600 -0.051 0.000 1.005 392 S CA 0.881 59.055 58.200 -0.043 0.000 0.949 392 S CB -0.346 62.832 63.200 -0.036 0.000 0.774 392 S HN 0.535 nan 8.310 nan 0.000 0.510 393 R N 0.428 120.910 120.500 -0.030 0.000 2.093 393 R HA 0.298 4.638 4.340 -0.000 0.000 0.224 393 R C 1.767 178.034 176.300 -0.055 0.000 1.101 393 R CA 1.166 57.248 56.100 -0.030 0.000 0.979 393 R CB -0.165 30.143 30.300 0.013 0.000 0.877 393 R HN 0.409 nan 8.270 nan 0.000 0.441 394 L N -0.425 120.790 121.223 -0.013 0.000 2.672 394 L HA 0.232 4.572 4.340 -0.000 0.000 0.236 394 L C -0.274 176.593 176.870 -0.005 0.000 1.092 394 L CA -0.113 54.754 54.840 0.045 0.000 0.887 394 L CB 1.168 43.288 42.059 0.102 0.000 1.168 394 L HN -0.142 nan 8.230 nan 0.000 0.502 395 V N 0.094 119.972 119.914 -0.061 0.000 2.384 395 V HA 0.372 4.492 4.120 -0.000 0.000 0.287 395 V C -0.140 175.838 176.094 -0.192 0.000 1.020 395 V CA -0.361 61.881 62.300 -0.097 0.000 0.850 395 V CB 1.512 33.294 31.823 -0.069 0.000 0.987 395 V HN 0.046 nan 8.190 nan 0.000 0.436 396 T N 5.842 120.200 114.554 -0.326 0.000 2.855 396 T HA 0.601 4.951 4.350 -0.000 0.000 0.281 396 T C -0.394 174.154 174.700 -0.253 0.000 1.007 396 T CA -0.404 61.463 62.100 -0.388 0.000 1.009 396 T CB 1.468 69.852 68.868 -0.806 0.000 0.983 396 T HN 0.298 nan 8.240 nan 0.000 0.455 397 I N 3.067 123.539 120.570 -0.164 0.000 2.328 397 I HA 0.303 4.473 4.170 -0.000 0.000 0.287 397 I C 0.528 176.626 176.117 -0.031 0.000 1.012 397 I CA -0.480 60.757 61.300 -0.105 0.000 1.195 397 I CB 0.843 38.768 38.000 -0.124 0.000 1.350 397 I HN 0.572 nan 8.210 nan 0.000 0.464 398 S N 4.845 120.576 115.700 0.051 0.000 2.610 398 S HA 0.390 4.860 4.470 -0.000 0.000 0.273 398 S C 1.267 175.976 174.600 0.182 0.000 1.274 398 S CA -0.472 57.806 58.200 0.130 0.000 1.023 398 S CB 1.521 64.836 63.200 0.192 0.000 0.962 398 S HN 0.733 nan 8.310 nan 0.000 0.523 399 K N 0.421 120.914 120.400 0.154 0.000 2.400 399 K HA 0.185 4.505 4.320 -0.000 0.000 0.194 399 K C 0.051 176.790 176.600 0.232 0.000 1.033 399 K CA 1.256 57.640 56.287 0.162 0.000 1.021 399 K CB -0.646 31.901 32.500 0.078 0.000 0.808 399 K HN 0.917 nan 8.250 nan 0.000 0.505 400 D N -4.002 116.468 120.400 0.116 0.000 2.623 400 D HA 0.249 4.889 4.640 -0.000 0.000 0.241 400 D C -2.609 173.407 176.300 -0.473 0.000 1.241 400 D CA -1.318 52.518 54.000 -0.273 0.000 0.788 400 D CB 1.654 42.405 40.800 -0.082 0.000 1.413 400 D HN -0.148 nan 8.370 nan 0.000 0.429 401 P HA -0.088 nan 4.420 nan 0.000 0.223 401 P C 0.762 177.802 177.300 -0.433 0.000 1.151 401 P CA 0.988 63.700 63.100 -0.647 0.000 0.787 401 P CB -0.061 31.178 31.700 -0.768 0.000 0.788 402 Y N 0.507 120.695 120.300 -0.186 0.000 2.220 402 Y HA -0.088 4.462 4.550 -0.000 0.000 0.291 402 Y C 2.788 178.648 175.900 -0.066 0.000 1.129 402 Y CA 1.065 59.098 58.100 -0.112 0.000 1.161 402 Y CB -0.972 37.425 38.460 -0.104 0.000 0.997 402 Y HN -0.032 nan 8.280 nan 0.000 0.522 403 E N 0.818 121.069 120.200 0.085 0.000 2.085 403 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 403 E C 2.337 178.966 176.600 0.048 0.000 0.994 403 E CA 1.227 57.668 56.400 0.068 0.000 0.801 403 E CB -0.202 29.551 29.700 0.089 0.000 0.743 403 E HN 0.416 nan 8.360 nan 0.000 0.453 404 A N 0.159 123.007 122.820 0.047 0.000 1.972 404 A HA -0.179 4.140 4.320 -0.000 0.000 0.219 404 A C 2.453 180.031 177.584 -0.010 0.000 1.169 404 A CA 1.506 53.586 52.037 0.071 0.000 0.635 404 A CB -0.641 18.416 19.000 0.096 0.000 0.810 404 A HN 0.448 nan 8.150 nan 0.000 0.446 405 C N 0.104 119.389 119.300 -0.025 0.000 2.697 405 C HA 0.137 4.597 4.460 -0.000 0.000 0.267 405 C C 0.744 175.730 174.990 -0.007 0.000 1.278 405 C CA -0.624 58.391 59.018 -0.006 0.000 1.708 405 C CB -1.204 26.538 27.740 0.004 0.000 1.860 405 C HN 0.528 nan 8.230 nan 0.000 0.589 406 D N 0.592 120.975 120.400 -0.029 0.000 2.336 406 D HA 0.355 4.995 4.640 -0.000 0.000 0.249 406 D C 1.138 177.398 176.300 -0.067 0.000 1.213 406 D CA 1.187 55.172 54.000 -0.026 0.000 0.870 406 D CB 0.349 41.145 40.800 -0.007 0.000 1.076 406 D HN 0.482 nan 8.370 nan 0.000 0.483 407 G N 2.908 111.669 108.800 -0.064 0.000 2.160 407 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.251 407 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.251 407 G C 0.449 175.289 174.900 -0.100 0.000 1.008 407 G CA 0.300 45.346 45.100 -0.090 0.000 0.724 407 G HN 0.837 nan 8.290 nan 0.000 0.514 408 A N -1.110 121.672 122.820 -0.063 0.000 2.322 408 A HA 0.739 5.059 4.320 -0.000 0.000 0.269 408 A C 0.850 178.438 177.584 0.006 0.000 1.094 408 A CA 0.554 52.595 52.037 0.007 0.000 0.807 408 A CB 0.481 19.507 19.000 0.043 0.000 1.047 408 A HN 0.482 nan 8.150 nan 0.000 0.487 409 H N 0.290 119.401 119.070 0.069 0.000 2.497 409 H HA 0.444 5.000 4.556 -0.000 0.000 0.282 409 H C 0.728 176.184 175.328 0.214 0.000 1.003 409 H CA 1.450 57.569 56.048 0.119 0.000 1.307 409 H CB 0.326 30.139 29.762 0.086 0.000 1.437 409 H HN 0.793 nan 8.280 nan 0.000 0.544 410 A N 0.145 123.150 122.820 0.309 0.000 2.539 410 A HA 0.594 4.914 4.320 -0.000 0.000 0.296 410 A C -1.426 176.288 177.584 0.216 0.000 1.073 410 A CA -0.650 51.578 52.037 0.318 0.000 0.700 410 A CB 1.492 20.719 19.000 0.378 0.000 1.296 410 A HN -0.015 nan 8.150 nan 0.000 0.405 411 V N 1.866 121.895 119.914 0.192 0.000 2.326 411 V HA 0.403 4.523 4.120 -0.000 0.000 0.281 411 V C -0.518 175.667 176.094 0.151 0.000 1.015 411 V CA -0.504 61.861 62.300 0.108 0.000 0.823 411 V CB 1.167 33.004 31.823 0.024 0.000 1.009 411 V HN 0.619 nan 8.190 nan 0.000 0.436 412 V N 6.590 126.599 119.914 0.159 0.000 2.333 412 V HA 0.416 4.536 4.120 -0.000 0.000 0.274 412 V C 0.167 176.354 176.094 0.155 0.000 1.028 412 V CA -0.297 62.130 62.300 0.213 0.000 0.851 412 V CB 1.368 33.291 31.823 0.167 0.000 1.000 412 V HN 0.683 nan 8.190 nan 0.000 0.456 413 I N 4.447 125.113 120.570 0.159 0.000 2.281 413 I HA 0.160 4.330 4.170 -0.000 0.000 0.293 413 I C 0.767 176.988 176.117 0.173 0.000 1.085 413 I CA 0.005 61.360 61.300 0.091 0.000 1.257 413 I CB 0.767 38.814 38.000 0.078 0.000 1.430 413 I HN 0.659 nan 8.210 nan 0.000 0.489 414 C N 3.406 122.818 119.300 0.185 0.000 2.780 414 C HA 0.157 4.617 4.460 -0.000 0.000 0.267 414 C C 1.009 176.081 174.990 0.136 0.000 1.266 414 C CA 0.407 59.518 59.018 0.155 0.000 1.709 414 C CB -0.360 27.476 27.740 0.160 0.000 1.975 414 C HN 0.724 nan 8.230 nan 0.000 0.582 415 T N 1.161 115.862 114.554 0.245 0.000 2.971 415 T HA 0.178 4.528 4.350 -0.000 0.000 0.304 415 T C 0.022 174.867 174.700 0.243 0.000 1.038 415 T CA -0.253 61.954 62.100 0.179 0.000 1.007 415 T CB 1.385 70.404 68.868 0.251 0.000 1.055 415 T HN 0.306 nan 8.240 nan 0.000 0.451 416 E N 1.814 122.010 120.200 -0.007 0.000 2.424 416 E HA -0.009 4.341 4.350 -0.000 0.000 0.237 416 E C -0.815 175.749 176.600 -0.059 0.000 1.381 416 E CA -0.576 55.841 56.400 0.028 0.000 1.587 416 E CB -0.291 29.378 29.700 -0.052 0.000 1.398 416 E HN 0.622 nan 8.360 nan 0.000 0.439 417 W N 1.597 122.843 121.300 -0.090 0.000 2.295 417 W HA 0.022 4.682 4.660 -0.000 0.000 0.335 417 W C 1.214 177.543 176.519 -0.317 0.000 1.351 417 W CA -0.179 56.955 57.345 -0.352 0.000 1.273 417 W CB 0.583 29.552 29.460 -0.819 0.000 1.214 417 W HN 0.152 nan 8.180 nan 0.000 0.563 418 D N 3.136 123.572 120.400 0.061 0.000 2.218 418 D HA -0.205 4.435 4.640 -0.000 0.000 0.204 418 D C 2.153 178.476 176.300 0.037 0.000 0.976 418 D CA 1.684 55.717 54.000 0.056 0.000 0.853 418 D CB -0.088 40.749 40.800 0.062 0.000 0.939 418 D HN 0.566 nan 8.370 nan 0.000 0.481 419 M N -0.987 118.581 119.600 -0.053 0.000 2.358 419 M HA -0.091 4.389 4.480 -0.000 0.000 0.264 419 M C 1.439 177.785 176.300 0.077 0.000 1.064 419 M CA 1.215 56.485 55.300 -0.050 0.000 1.093 419 M CB -0.518 32.004 32.600 -0.129 0.000 1.401 419 M HN -0.209 nan 8.290 nan 0.000 0.440 420 F N 1.848 121.890 119.950 0.155 0.000 2.407 420 F HA 0.059 4.586 4.527 -0.000 0.000 0.299 420 F C 2.094 178.018 175.800 0.207 0.000 1.097 420 F CA 0.660 58.750 58.000 0.151 0.000 1.422 420 F CB -0.917 38.202 39.000 0.198 0.000 1.067 420 F HN 0.218 nan 8.300 nan 0.000 0.539 421 K N 0.282 120.875 120.400 0.323 0.000 2.365 421 K HA -0.098 4.222 4.320 -0.000 0.000 0.199 421 K C 1.077 177.830 176.600 0.254 0.000 1.045 421 K CA 1.041 57.486 56.287 0.265 0.000 0.962 421 K CB -0.156 32.444 32.500 0.166 0.000 0.759 421 K HN 0.392 nan 8.250 nan 0.000 0.469 422 E N 0.430 120.749 120.200 0.197 0.000 2.498 422 E HA 0.132 4.481 4.350 -0.000 0.000 0.203 422 E C -0.029 176.622 176.600 0.085 0.000 1.013 422 E CA -0.236 56.243 56.400 0.131 0.000 0.927 422 E CB 0.411 30.165 29.700 0.090 0.000 1.012 422 E HN 0.134 nan 8.360 nan 0.000 0.482 423 L N 1.995 123.216 121.223 -0.003 0.000 2.483 423 L HA 0.016 4.356 4.340 -0.000 0.000 0.275 423 L C 0.660 177.418 176.870 -0.187 0.000 1.220 423 L CA -0.025 54.675 54.840 -0.233 0.000 0.833 423 L CB 0.190 41.801 42.059 -0.746 0.000 1.102 423 L HN 0.012 nan 8.230 nan 0.000 0.490 424 D N 1.231 121.644 120.400 0.022 0.000 2.470 424 D HA 0.019 4.658 4.640 -0.000 0.000 0.226 424 D C 0.713 177.057 176.300 0.072 0.000 1.196 424 D CA 0.077 54.124 54.000 0.079 0.000 0.979 424 D CB 0.194 41.041 40.800 0.079 0.000 1.059 424 D HN 0.294 nan 8.370 nan 0.000 0.515 425 Y N 1.342 121.760 120.300 0.197 0.000 2.333 425 Y HA -0.125 4.424 4.550 -0.000 0.000 0.290 425 Y C 2.293 178.369 175.900 0.294 0.000 1.144 425 Y CA 0.599 58.855 58.100 0.259 0.000 1.228 425 Y CB 0.259 38.852 38.460 0.221 0.000 0.985 425 Y HN 0.352 nan 8.280 nan 0.000 0.542 426 E N 0.424 120.800 120.200 0.293 0.000 2.070 426 E HA -0.279 4.071 4.350 -0.000 0.000 0.197 426 E C 2.249 178.949 176.600 0.166 0.000 1.004 426 E CA 1.259 57.762 56.400 0.172 0.000 0.805 426 E CB -0.306 29.450 29.700 0.093 0.000 0.744 426 E HN 0.454 nan 8.360 nan 0.000 0.451 427 R N 0.492 121.077 120.500 0.142 0.000 2.096 427 R HA -0.092 4.248 4.340 -0.000 0.000 0.235 427 R C 2.457 178.850 176.300 0.154 0.000 1.127 427 R CA 1.029 57.188 56.100 0.099 0.000 0.968 427 R CB -0.196 30.123 30.300 0.030 0.000 0.861 427 R HN 0.131 nan 8.270 nan 0.000 0.440 428 I N -0.141 120.579 120.570 0.251 0.000 2.286 428 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 428 I C 2.627 178.902 176.117 0.264 0.000 1.104 428 I CA 1.144 62.610 61.300 0.277 0.000 1.397 428 I CB -0.555 37.633 38.000 0.315 0.000 1.072 428 I HN 0.364 nan 8.210 nan 0.000 0.417 429 H N 2.279 121.454 119.070 0.174 0.000 2.290 429 H HA -0.208 4.348 4.556 -0.000 0.000 0.298 429 H C 2.071 177.337 175.328 -0.103 0.000 1.087 429 H CA 1.864 57.825 56.048 -0.144 0.000 1.291 429 H CB 0.088 29.587 29.762 -0.437 0.000 1.369 429 H HN 0.230 nan 8.280 nan 0.000 0.492 430 K N 0.331 120.736 120.400 0.008 0.000 2.160 430 K HA -0.139 4.181 4.320 -0.000 0.000 0.206 430 K C 2.064 178.604 176.600 -0.099 0.000 1.047 430 K CA 1.387 57.645 56.287 -0.050 0.000 0.930 430 K CB 0.060 32.566 32.500 0.011 0.000 0.720 430 K HN 0.312 nan 8.250 nan 0.000 0.450 431 K N -0.377 119.986 120.400 -0.062 0.000 2.358 431 K HA 0.176 4.496 4.320 -0.000 0.000 0.197 431 K C 0.547 177.099 176.600 -0.081 0.000 1.025 431 K CA -0.167 56.087 56.287 -0.056 0.000 1.104 431 K CB 0.389 32.882 32.500 -0.012 0.000 0.855 431 K HN 0.076 nan 8.250 nan 0.000 0.531 432 M N 1.170 120.698 119.600 -0.119 0.000 2.227 432 M HA 0.197 4.677 4.480 -0.000 0.000 0.316 432 M C 0.082 176.267 176.300 -0.192 0.000 1.144 432 M CA -0.382 54.844 55.300 -0.124 0.000 1.121 432 M CB 0.740 33.300 32.600 -0.067 0.000 1.440 432 M HN -0.058 nan 8.290 nan 0.000 0.473 433 L N 1.654 122.750 121.223 -0.212 0.000 2.439 433 L HA 0.276 4.616 4.340 -0.000 0.000 0.261 433 L C -0.016 176.747 176.870 -0.178 0.000 1.153 433 L CA -0.463 54.233 54.840 -0.240 0.000 0.808 433 L CB 0.392 42.191 42.059 -0.433 0.000 1.126 433 L HN 0.456 nan 8.230 nan 0.000 0.460 434 K N 1.998 122.322 120.400 -0.127 0.000 2.207 434 K HA 0.513 4.833 4.320 -0.000 0.000 0.255 434 K C -2.262 174.352 176.600 0.024 0.000 0.941 434 K CA -1.753 54.478 56.287 -0.093 0.000 0.825 434 K CB 0.976 33.410 32.500 -0.110 0.000 1.119 434 K HN 0.366 nan 8.250 nan 0.000 0.430 435 P HA 0.280 nan 4.420 nan 0.000 0.275 435 P C -1.028 176.176 177.300 -0.159 0.000 1.228 435 P CA -0.548 62.480 63.100 -0.120 0.000 0.786 435 P CB 0.846 32.430 31.700 -0.192 0.000 0.927 436 A N 3.060 125.748 122.820 -0.221 0.000 2.260 436 A HA 0.547 4.867 4.320 -0.000 0.000 0.308 436 A C -0.582 176.967 177.584 -0.059 0.000 1.254 436 A CA -0.531 51.484 52.037 -0.037 0.000 0.874 436 A CB -0.328 18.654 19.000 -0.030 0.000 1.153 436 A HN 0.429 nan 8.150 nan 0.000 0.527 437 F N 1.669 121.681 119.950 0.103 0.000 2.425 437 F HA 0.587 5.113 4.527 -0.000 0.000 0.331 437 F C 0.339 176.006 175.800 -0.221 0.000 1.085 437 F CA -0.420 57.502 58.000 -0.131 0.000 1.028 437 F CB 1.692 40.547 39.000 -0.242 0.000 1.177 437 F HN 0.341 nan 8.300 nan 0.000 0.487 438 I N 3.266 123.660 120.570 -0.293 0.000 2.418 438 I HA 0.297 4.467 4.170 -0.000 0.000 0.287 438 I C -1.311 174.526 176.117 -0.467 0.000 1.008 438 I CA -0.556 60.534 61.300 -0.349 0.000 1.104 438 I CB 1.422 39.122 38.000 -0.500 0.000 1.264 438 I HN 0.370 nan 8.210 nan 0.000 0.438 439 F N 3.997 123.964 119.950 0.029 0.000 2.347 439 F HA 0.248 4.775 4.527 -0.000 0.000 0.366 439 F C 0.282 176.208 175.800 0.209 0.000 1.107 439 F CA -0.775 57.279 58.000 0.091 0.000 1.058 439 F CB 0.840 39.808 39.000 -0.053 0.000 1.236 439 F HN 0.352 nan 8.300 nan 0.000 0.456 440 D N 2.741 123.325 120.400 0.307 0.000 2.441 440 D HA 0.181 4.820 4.640 -0.000 0.000 0.221 440 D C 1.211 177.623 176.300 0.188 0.000 1.156 440 D CA -0.138 53.988 54.000 0.209 0.000 0.896 440 D CB 1.358 42.229 40.800 0.118 0.000 1.028 440 D HN 0.707 nan 8.370 nan 0.000 0.509 441 G N 3.317 112.179 108.800 0.104 0.000 2.776 441 G HA2 -0.115 3.844 3.960 -0.000 0.000 0.209 441 G HA3 -0.115 3.844 3.960 -0.000 0.000 0.209 441 G C 1.147 175.914 174.900 -0.221 0.000 1.145 441 G CA 0.022 44.901 45.100 -0.369 0.000 0.791 441 G HN 0.351 nan 8.290 nan 0.000 0.530 442 R N -0.713 119.751 120.500 -0.060 0.000 2.539 442 R HA 0.150 4.490 4.340 -0.000 0.000 0.342 442 R C 0.554 176.847 176.300 -0.012 0.000 0.941 442 R CA -0.455 55.620 56.100 -0.041 0.000 1.146 442 R CB 0.313 30.617 30.300 0.006 0.000 1.541 442 R HN 0.145 nan 8.270 nan 0.000 0.525 443 R N -0.179 120.328 120.500 0.011 0.000 3.863 443 R HA -0.136 4.204 4.340 -0.000 0.000 0.313 443 R C 1.004 177.325 176.300 0.035 0.000 1.202 443 R CA 0.864 56.976 56.100 0.020 0.000 0.852 443 R CB -2.972 27.321 30.300 -0.011 0.000 1.292 443 R HN 0.158 nan 8.270 nan 0.000 0.519 444 V N 0.297 120.249 119.914 0.063 0.000 2.809 444 V HA -0.037 4.083 4.120 -0.000 0.000 0.256 444 V C 1.873 178.024 176.094 0.096 0.000 1.080 444 V CA 1.694 64.047 62.300 0.088 0.000 1.102 444 V CB -0.039 31.875 31.823 0.152 0.000 0.705 444 V HN 0.392 nan 8.190 nan 0.000 0.475 445 L N -0.441 120.836 121.223 0.090 0.000 2.667 445 L HA 0.274 4.613 4.340 -0.000 0.000 0.232 445 L C 0.182 177.125 176.870 0.120 0.000 1.138 445 L CA -0.352 54.535 54.840 0.078 0.000 0.921 445 L CB -0.224 41.829 42.059 -0.010 0.000 1.180 445 L HN 0.233 nan 8.230 nan 0.000 0.487 446 D N 1.252 121.693 120.400 0.068 0.000 2.571 446 D HA 0.197 4.837 4.640 -0.000 0.000 0.231 446 D C 1.326 177.626 176.300 -0.000 0.000 1.133 446 D CA 1.669 55.651 54.000 -0.031 0.000 0.862 446 D CB 0.896 41.654 40.800 -0.070 0.000 1.179 446 D HN 0.313 nan 8.370 nan 0.000 0.474 447 G N 1.596 110.381 108.800 -0.025 0.000 2.363 447 G HA2 -0.322 3.637 3.960 -0.000 0.000 0.238 447 G HA3 -0.322 3.637 3.960 -0.000 0.000 0.238 447 G C 1.142 176.071 174.900 0.049 0.000 1.062 447 G CA 0.262 45.368 45.100 0.011 0.000 0.629 447 G HN 0.493 nan 8.290 nan 0.000 0.514 448 L N 1.120 122.384 121.223 0.069 0.000 2.610 448 L HA 0.142 4.482 4.340 -0.000 0.000 0.232 448 L C 2.282 179.195 176.870 0.072 0.000 1.149 448 L CA 0.561 55.434 54.840 0.054 0.000 0.872 448 L CB -0.575 41.490 42.059 0.009 0.000 0.992 448 L HN 0.425 nan 8.230 nan 0.000 0.447 449 H N 0.581 119.622 119.070 -0.048 0.000 2.289 449 H HA -0.182 4.374 4.556 -0.000 0.000 0.296 449 H C 1.847 177.155 175.328 -0.034 0.000 1.091 449 H CA 1.775 57.793 56.048 -0.050 0.000 1.274 449 H CB 0.257 29.998 29.762 -0.035 0.000 1.364 449 H HN 0.452 nan 8.280 nan 0.000 0.490 450 N N 0.804 119.564 118.700 0.100 0.000 2.058 450 N HA -0.167 4.573 4.740 -0.000 0.000 0.191 450 N C 1.941 177.462 175.510 0.017 0.000 1.037 450 N CA 0.918 53.995 53.050 0.045 0.000 0.848 450 N CB -0.617 37.892 38.487 0.037 0.000 1.021 450 N HN 0.522 nan 8.380 nan 0.000 0.422 451 E N 0.903 121.117 120.200 0.022 0.000 2.147 451 E HA -0.180 4.170 4.350 -0.000 0.000 0.199 451 E C 1.971 178.579 176.600 0.013 0.000 1.005 451 E CA 0.928 57.339 56.400 0.018 0.000 0.810 451 E CB -0.092 29.627 29.700 0.033 0.000 0.736 451 E HN 0.299 nan 8.360 nan 0.000 0.460 452 L N 0.080 121.296 121.223 -0.011 0.000 2.109 452 L HA -0.166 4.173 4.340 -0.000 0.000 0.207 452 L C 2.749 179.646 176.870 0.046 0.000 1.086 452 L CA 1.150 55.995 54.840 0.009 0.000 0.760 452 L CB -0.279 41.676 42.059 -0.173 0.000 0.910 452 L HN 0.191 nan 8.230 nan 0.000 0.437 453 Q N -0.635 119.150 119.800 -0.026 0.000 2.050 453 Q HA -0.189 4.150 4.340 -0.000 0.000 0.202 453 Q C 2.169 178.131 176.000 -0.063 0.000 0.980 453 Q CA 2.186 57.965 55.803 -0.040 0.000 0.840 453 Q CB -0.221 28.494 28.738 -0.038 0.000 0.898 453 Q HN 0.417 nan 8.270 nan 0.000 0.424 454 T N 1.112 115.636 114.554 -0.051 0.000 2.759 454 T HA -0.139 4.211 4.350 -0.000 0.000 0.269 454 T C 1.738 176.361 174.700 -0.128 0.000 1.042 454 T CA 0.995 63.054 62.100 -0.068 0.000 1.140 454 T CB -0.172 68.673 68.868 -0.039 0.000 0.864 454 T HN 0.230 nan 8.240 nan 0.000 0.455 455 I N 0.159 120.637 120.570 -0.152 0.000 2.394 455 I HA -0.009 4.160 4.170 -0.000 0.000 0.251 455 I C 2.079 177.797 176.117 -0.666 0.000 1.136 455 I CA 1.279 62.385 61.300 -0.324 0.000 1.425 455 I CB -0.177 37.675 38.000 -0.247 0.000 1.079 455 I HN 0.517 nan 8.210 nan 0.000 0.425 456 G N -0.314 108.190 108.800 -0.494 0.000 2.321 456 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.174 456 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.174 456 G C 0.026 174.760 174.900 -0.276 0.000 1.008 456 G CA -0.746 44.094 45.100 -0.434 0.000 0.739 456 G HN 0.125 nan 8.290 nan 0.000 0.502 457 F N 1.371 121.238 119.950 -0.139 0.000 2.371 457 F HA 0.564 5.091 4.527 -0.000 0.000 0.329 457 F C 1.105 176.761 175.800 -0.240 0.000 1.107 457 F CA -0.343 57.570 58.000 -0.146 0.000 1.137 457 F CB 0.987 39.891 39.000 -0.161 0.000 1.214 457 F HN -0.073 nan 8.300 nan 0.000 0.536 458 Q N 2.973 122.689 119.800 -0.139 0.000 2.349 458 Q HA 0.369 4.709 4.340 -0.000 0.000 0.254 458 Q C -0.742 175.135 176.000 -0.206 0.000 0.980 458 Q CA -0.325 55.344 55.803 -0.223 0.000 0.924 458 Q CB 1.622 30.114 28.738 -0.411 0.000 1.209 458 Q HN 0.521 nan 8.270 nan 0.000 0.445 459 I N 2.381 122.820 120.570 -0.218 0.000 2.339 459 I HA 0.297 4.467 4.170 -0.000 0.000 0.290 459 I C -0.808 175.151 176.117 -0.264 0.000 0.994 459 I CA -0.299 60.799 61.300 -0.338 0.000 1.191 459 I CB 0.759 38.451 38.000 -0.513 0.000 1.343 459 I HN 0.565 nan 8.210 nan 0.000 0.458 460 E N 4.839 124.912 120.200 -0.212 0.000 2.288 460 E HA 0.475 4.825 4.350 -0.000 0.000 0.268 460 E C -1.160 175.517 176.600 0.129 0.000 0.885 460 E CA -0.754 55.644 56.400 -0.003 0.000 0.767 460 E CB 2.602 32.333 29.700 0.053 0.000 1.220 460 E HN 0.533 nan 8.360 nan 0.000 0.427 461 T N 1.223 115.899 114.554 0.204 0.000 2.841 461 T HA 0.449 4.799 4.350 -0.000 0.000 0.296 461 T C -0.627 174.183 174.700 0.184 0.000 1.166 461 T CA -0.614 61.618 62.100 0.221 0.000 1.007 461 T CB 0.879 69.870 68.868 0.206 0.000 1.253 461 T HN 0.336 nan 8.240 nan 0.000 0.511 462 I N 2.221 122.867 120.570 0.127 0.000 2.618 462 I HA 0.299 4.469 4.170 -0.000 0.000 0.284 462 I C 1.477 177.616 176.117 0.037 0.000 1.146 462 I CA 1.135 62.469 61.300 0.057 0.000 1.425 462 I CB 0.555 38.516 38.000 -0.066 0.000 1.383 462 I HN 1.059 nan 8.210 nan 0.000 0.562 463 G N 4.903 113.726 108.800 0.038 0.000 2.198 463 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.257 463 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.257 463 G C -0.049 174.868 174.900 0.029 0.000 1.042 463 G CA 0.109 45.224 45.100 0.026 0.000 0.791 463 G HN 0.699 nan 8.290 nan 0.000 0.502 464 K N -0.242 120.188 120.400 0.051 0.000 2.513 464 K HA 0.451 4.771 4.320 -0.000 0.000 0.251 464 K C -0.028 176.612 176.600 0.066 0.000 0.939 464 K CA -0.980 55.337 56.287 0.050 0.000 0.793 464 K CB 1.203 33.737 32.500 0.057 0.000 1.241 464 K HN 0.100 nan 8.250 nan 0.000 0.431 465 K N 3.264 123.695 120.400 0.053 0.000 2.350 465 K HA 0.098 4.418 4.320 -0.000 0.000 0.279 465 K C 0.112 176.753 176.600 0.067 0.000 1.027 465 K CA -0.398 55.922 56.287 0.055 0.000 0.969 465 K CB 0.798 33.324 32.500 0.042 0.000 0.954 465 K HN 0.384 nan 8.250 nan 0.000 0.474 466 V N 0.000 119.958 119.914 0.073 0.000 2.409 466 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 466 V CA 0.000 62.348 62.300 0.081 0.000 1.235 466 V CB 0.000 31.875 31.823 0.086 0.000 1.184 466 V HN 0.000 nan 8.190 nan 0.000 0.556