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 1iwa_1_G DATA FIRST_RESID 6 DATA SEQUENCE TRIKNSRYES GVIPYAMGYW NPDYQVKDTD VLALFRVTPQ PGVDPIEAAA DATA SEQUENCE AVAGESSTAT WTVVWTDLLT AADLYRAKAY KVDQVPNNPE QYFAYIAYEL DATA SEQUENCE DLFEEGSIAN LTASIIGNVF GFKAVKALRL EDMRLPLAYL KTFQGPATGV DATA SEQUENCE ILERERLDKF GRPLLGCTTK PKLGLSGKNY GRVVYEALKG GLDFVKDDEN DATA SEQUENCE INSQPFMRWR ERYLFTMEAV NKASAATGEV KGHYLNVTAA TMEEMYARAN DATA SEQUENCE FAKELGSVII MIDXLVIGYT AIQTMAKWAR DNDMILHLHR AGNSTYSRQK DATA SEQUENCE NHGMNFRVIC KWMRMAGVDH IHAGTVVGKL EGDPIITRGF YKTLLLPKLE DATA SEQUENCE RNLQEGLFFD MEWASLRKVM PVASGGIHAG QMHQLIHYLG EDVVLQFGGG DATA SEQUENCE TIGHPDGIQA GATANRVALE AMILARNENR DYLTEGPEIL REAAKTCGAL DATA SEQUENCE RTALDLWKDI TFNYTSTDTS DFV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 T HA 0.000 nan 4.350 nan 0.000 0.228 6 T C 0.000 174.653 174.700 -0.078 0.000 1.109 6 T CA 0.000 62.062 62.100 -0.063 0.000 1.349 6 T CB 0.000 68.840 68.868 -0.046 0.000 0.612 7 R N 3.042 123.475 120.500 -0.112 0.000 2.698 7 R HA 0.533 4.873 4.340 -0.000 0.000 0.422 7 R C 0.482 176.693 176.300 -0.148 0.000 1.073 7 R CA -0.763 55.258 56.100 -0.130 0.000 1.054 7 R CB -0.475 29.722 30.300 -0.172 0.000 1.373 7 R HN 0.835 nan 8.270 nan 0.000 0.593 8 I N 0.154 120.659 120.570 -0.108 0.000 3.427 8 I HA -0.079 4.091 4.170 -0.000 0.000 0.272 8 I C 0.704 176.783 176.117 -0.064 0.000 1.285 8 I CA 0.227 61.474 61.300 -0.088 0.000 1.300 8 I CB 0.304 38.273 38.000 -0.053 0.000 1.378 8 I HN -0.007 nan 8.210 nan 0.000 0.634 9 K N 1.932 122.314 120.400 -0.030 0.000 2.211 9 K HA 0.362 4.682 4.320 -0.000 0.000 0.237 9 K C -0.423 176.184 176.600 0.011 0.000 1.002 9 K CA -0.555 55.735 56.287 0.005 0.000 0.885 9 K CB 0.918 33.451 32.500 0.056 0.000 1.136 9 K HN 0.531 nan 8.250 nan 0.000 0.448 10 N N 1.200 119.912 118.700 0.021 0.000 2.639 10 N HA 0.136 4.875 4.740 -0.000 0.000 0.265 10 N C -1.528 173.994 175.510 0.020 0.000 1.689 10 N CA 0.178 53.236 53.050 0.013 0.000 0.813 10 N CB 0.232 38.721 38.487 0.004 0.000 1.353 10 N HN 0.675 nan 8.380 nan 0.000 0.510 11 S N 0.198 115.916 115.700 0.030 0.000 4.151 11 S HA 0.323 4.793 4.470 -0.000 0.000 0.220 11 S C 0.949 175.549 174.600 -0.001 0.000 1.151 11 S CA -0.298 57.919 58.200 0.028 0.000 1.347 11 S CB 1.427 64.665 63.200 0.063 0.000 1.781 11 S HN 0.138 nan 8.310 nan 0.000 0.681 12 R N 0.487 120.979 120.500 -0.012 0.000 2.128 12 R HA 0.346 4.686 4.340 -0.000 0.000 0.211 12 R C 0.542 176.689 176.300 -0.254 0.000 1.067 12 R CA 1.060 57.065 56.100 -0.159 0.000 1.010 12 R CB -1.026 29.125 30.300 -0.249 0.000 0.922 12 R HN 0.691 nan 8.270 nan 0.000 0.457 13 Y N 2.152 122.464 120.300 0.020 0.000 2.718 13 Y HA 0.217 4.767 4.550 -0.000 0.000 0.322 13 Y C -0.291 175.636 175.900 0.046 0.000 1.122 13 Y CA -0.530 57.593 58.100 0.038 0.000 1.348 13 Y CB -0.278 38.223 38.460 0.068 0.000 1.174 13 Y HN 0.207 nan 8.280 nan 0.000 0.523 14 E N -1.124 119.132 120.200 0.093 0.000 2.313 14 E HA 0.287 4.637 4.350 -0.000 0.000 0.272 14 E C -0.282 176.336 176.600 0.030 0.000 1.038 14 E CA -0.730 55.706 56.400 0.061 0.000 0.863 14 E CB 0.972 30.687 29.700 0.025 0.000 1.060 14 E HN -0.030 nan 8.360 nan 0.000 0.402 15 S N 1.509 117.224 115.700 0.026 0.000 2.946 15 S HA 0.305 4.774 4.470 -0.000 0.000 0.349 15 S C 0.047 174.629 174.600 -0.030 0.000 1.189 15 S CA 0.432 58.630 58.200 -0.002 0.000 1.285 15 S CB -0.467 62.733 63.200 -0.000 0.000 1.010 15 S HN 0.686 nan 8.310 nan 0.000 0.538 16 G N 1.593 110.355 108.800 -0.063 0.000 0.000 16 G HA2 0.425 4.385 3.960 -0.000 0.000 0.000 16 G HA3 0.425 4.385 3.960 -0.000 0.000 0.000 16 G C -1.539 173.296 174.900 -0.108 0.000 0.000 16 G CA -0.729 44.328 45.100 -0.071 0.000 0.000 16 G HN 0.480 nan 8.290 nan 0.000 0.000 17 V N 2.345 122.204 119.914 -0.090 0.000 2.370 17 V HA 0.670 4.790 4.120 -0.000 0.000 0.283 17 V C 0.501 176.551 176.094 -0.073 0.000 1.023 17 V CA -0.437 61.806 62.300 -0.095 0.000 0.857 17 V CB 0.640 32.446 31.823 -0.028 0.000 0.985 17 V HN 0.740 nan 8.190 nan 0.000 0.443 18 I N 3.438 123.946 120.570 -0.104 0.000 3.108 18 I HA 0.744 4.914 4.170 -0.000 0.000 0.312 18 I C -2.523 173.506 176.117 -0.147 0.000 1.095 18 I CA -2.578 58.665 61.300 -0.096 0.000 1.000 18 I CB 2.278 40.226 38.000 -0.085 0.000 1.229 18 I HN 0.351 nan 8.210 nan 0.000 0.454 19 P HA 0.121 nan 4.420 nan 0.000 0.274 19 P C -0.364 176.892 177.300 -0.074 0.000 1.246 19 P CA 0.099 63.128 63.100 -0.119 0.000 0.795 19 P CB 0.797 32.484 31.700 -0.020 0.000 1.006 20 Y N 0.582 120.962 120.300 0.134 0.000 2.220 20 Y HA 0.015 4.565 4.550 -0.000 0.000 0.291 20 Y C 2.667 178.719 175.900 0.253 0.000 1.129 20 Y CA 1.481 59.725 58.100 0.240 0.000 1.161 20 Y CB -1.570 36.958 38.460 0.113 0.000 0.997 20 Y HN 0.383 nan 8.280 nan 0.000 0.522 21 A N 0.338 123.341 122.820 0.305 0.000 2.265 21 A HA -0.158 4.162 4.320 -0.000 0.000 0.203 21 A C 1.625 179.347 177.584 0.230 0.000 1.285 21 A CA 0.709 52.904 52.037 0.263 0.000 0.839 21 A CB -1.484 17.577 19.000 0.102 0.000 0.758 21 A HN 0.593 nan 8.150 nan 0.000 0.502 22 M N -2.971 116.663 119.600 0.057 0.000 2.647 22 M HA -0.376 4.104 4.480 -0.000 0.000 0.147 22 M C 1.319 177.457 176.300 -0.269 0.000 0.671 22 M CA 1.353 56.627 55.300 -0.044 0.000 0.435 22 M CB -1.451 31.250 32.600 0.169 0.000 1.597 22 M HN 1.330 nan 8.290 nan 0.000 0.527 23 G N -1.930 106.778 108.800 -0.153 0.000 2.157 23 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.248 23 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.248 23 G C 0.055 174.791 174.900 -0.273 0.000 0.979 23 G CA 0.363 45.333 45.100 -0.217 0.000 0.650 23 G HN 0.574 nan 8.290 nan 0.000 0.529 24 Y N -0.895 119.471 120.300 0.109 0.000 2.546 24 Y HA 0.282 4.832 4.550 -0.000 0.000 0.287 24 Y C 1.498 177.501 175.900 0.172 0.000 1.158 24 Y CA 0.143 58.293 58.100 0.084 0.000 1.307 24 Y CB 0.292 38.801 38.460 0.082 0.000 1.036 24 Y HN 0.495 nan 8.280 nan 0.000 0.532 25 W N 2.041 123.395 121.300 0.090 0.000 2.296 25 W HA 0.353 5.013 4.660 -0.000 0.000 0.316 25 W C -0.963 175.594 176.519 0.062 0.000 1.022 25 W CA -0.742 56.650 57.345 0.078 0.000 1.324 25 W CB 0.904 30.410 29.460 0.076 0.000 1.227 25 W HN -0.182 nan 8.180 nan 0.000 0.409 26 N N 8.495 126.831 118.700 -0.606 0.000 2.648 26 N HA 0.190 4.930 4.740 -0.000 0.000 0.261 26 N C -1.732 173.402 175.510 -0.627 0.000 1.138 26 N CA -1.718 51.016 53.050 -0.528 0.000 0.804 26 N CB 1.751 40.129 38.487 -0.182 0.000 1.237 26 N HN 0.202 nan 8.380 nan 0.000 0.532 27 P HA 0.026 nan 4.420 nan 0.000 0.233 27 P C 0.231 177.431 177.300 -0.166 0.000 1.167 27 P CA 0.702 63.477 63.100 -0.542 0.000 0.770 27 P CB 0.698 32.162 31.700 -0.393 0.000 0.837 28 D N -1.626 118.686 120.400 -0.146 0.000 2.349 28 D HA 0.007 4.647 4.640 -0.000 0.000 0.214 28 D C 0.155 176.429 176.300 -0.043 0.000 1.063 28 D CA -0.627 53.332 54.000 -0.068 0.000 0.847 28 D CB -0.557 40.204 40.800 -0.065 0.000 0.933 28 D HN 0.041 nan 8.370 nan 0.000 0.513 29 Y N 1.907 122.122 120.300 -0.142 0.000 2.610 29 Y HA 0.099 4.649 4.550 -0.000 0.000 0.332 29 Y C 0.022 175.819 175.900 -0.171 0.000 1.201 29 Y CA 0.149 58.159 58.100 -0.150 0.000 1.465 29 Y CB 0.449 38.813 38.460 -0.160 0.000 1.283 29 Y HN -0.163 nan 8.280 nan 0.000 0.563 30 Q N 5.841 125.019 119.800 -1.036 0.000 2.368 30 Q HA 0.290 4.630 4.340 -0.000 0.000 0.256 30 Q C -0.691 174.616 176.000 -1.155 0.000 0.980 30 Q CA -0.602 54.710 55.803 -0.818 0.000 0.887 30 Q CB 1.369 29.824 28.738 -0.472 0.000 1.221 30 Q HN 0.567 nan 8.270 nan 0.000 0.458 31 V N 3.432 122.892 119.914 -0.756 0.000 2.655 31 V HA 0.017 4.137 4.120 -0.000 0.000 0.300 31 V C 0.638 176.570 176.094 -0.270 0.000 1.044 31 V CA 0.268 62.294 62.300 -0.456 0.000 1.095 31 V CB 0.315 31.961 31.823 -0.294 0.000 0.952 31 V HN 0.547 nan 8.190 nan 0.000 0.485 32 K N 2.780 123.091 120.400 -0.149 0.000 2.139 32 K HA 0.353 4.673 4.320 -0.000 0.000 0.243 32 K C 0.191 176.762 176.600 -0.049 0.000 0.983 32 K CA -0.807 55.426 56.287 -0.089 0.000 0.890 32 K CB 0.893 33.367 32.500 -0.044 0.000 1.090 32 K HN 0.469 nan 8.250 nan 0.000 0.445 33 D N 0.509 120.886 120.400 -0.038 0.000 2.371 33 D HA -0.084 4.555 4.640 -0.000 0.000 0.221 33 D C 1.239 177.531 176.300 -0.013 0.000 0.986 33 D CA 1.079 55.064 54.000 -0.025 0.000 0.899 33 D CB 0.088 40.877 40.800 -0.020 0.000 0.902 33 D HN 0.670 nan 8.370 nan 0.000 0.530 34 T N -3.171 111.381 114.554 -0.002 0.000 3.040 34 T HA 0.053 4.403 4.350 -0.000 0.000 0.250 34 T C 0.556 175.268 174.700 0.019 0.000 1.058 34 T CA -0.502 61.608 62.100 0.016 0.000 0.988 34 T CB 0.517 69.401 68.868 0.026 0.000 0.993 34 T HN -0.230 nan 8.240 nan 0.000 0.519 35 D N 1.818 122.231 120.400 0.021 0.000 2.362 35 D HA 0.337 4.977 4.640 -0.000 0.000 0.242 35 D C -0.256 176.043 176.300 -0.001 0.000 1.132 35 D CA -0.210 53.824 54.000 0.056 0.000 0.907 35 D CB 1.761 42.618 40.800 0.096 0.000 1.195 35 D HN 0.058 nan 8.370 nan 0.000 0.429 36 V N 2.756 122.687 119.914 0.029 0.000 2.439 36 V HA 0.327 4.447 4.120 -0.000 0.000 0.282 36 V C 0.389 176.495 176.094 0.020 0.000 1.039 36 V CA -0.546 61.672 62.300 -0.137 0.000 0.913 36 V CB 1.104 32.674 31.823 -0.421 0.000 0.983 36 V HN 0.266 nan 8.190 nan 0.000 0.460 37 L N 3.999 125.127 121.223 -0.158 0.000 2.333 37 L HA 0.963 5.303 4.340 -0.000 0.000 0.269 37 L C -0.075 176.674 176.870 -0.201 0.000 1.010 37 L CA -0.660 54.116 54.840 -0.107 0.000 0.818 37 L CB 2.035 43.853 42.059 -0.402 0.000 1.306 37 L HN 0.704 nan 8.230 nan 0.000 0.430 38 A N 2.161 125.034 122.820 0.089 0.000 2.515 38 A HA 0.796 5.115 4.320 -0.000 0.000 0.298 38 A C -1.716 175.899 177.584 0.052 0.000 1.059 38 A CA -0.431 51.590 52.037 -0.027 0.000 0.698 38 A CB 1.957 20.896 19.000 -0.101 0.000 1.289 38 A HN 0.574 nan 8.150 nan 0.000 0.404 39 L N 1.846 122.964 121.223 -0.174 0.000 2.343 39 L HA 0.806 5.146 4.340 -0.000 0.000 0.278 39 L C -1.807 174.779 176.870 -0.473 0.000 0.996 39 L CA -0.174 54.419 54.840 -0.412 0.000 0.831 39 L CB 0.597 42.153 42.059 -0.839 0.000 1.232 39 L HN 0.569 nan 8.230 nan 0.000 0.413 40 F N 3.568 123.431 119.950 -0.145 0.000 2.458 40 F HA 0.557 5.083 4.527 -0.000 0.000 0.330 40 F C 0.413 176.228 175.800 0.026 0.000 1.082 40 F CA -0.535 57.431 58.000 -0.057 0.000 0.995 40 F CB 1.408 40.378 39.000 -0.049 0.000 1.170 40 F HN 0.380 nan 8.300 nan 0.000 0.478 41 R N 2.893 123.560 120.500 0.279 0.000 2.204 41 R HA 0.580 4.920 4.340 -0.000 0.000 0.341 41 R C -1.822 174.570 176.300 0.154 0.000 1.035 41 R CA -0.289 55.959 56.100 0.248 0.000 0.887 41 R CB 0.535 30.989 30.300 0.256 0.000 1.114 41 R HN 0.555 nan 8.270 nan 0.000 0.473 42 V N 3.844 123.826 119.914 0.113 0.000 2.435 42 V HA 0.316 4.436 4.120 -0.000 0.000 0.290 42 V C 0.002 176.156 176.094 0.100 0.000 1.030 42 V CA -0.604 61.740 62.300 0.073 0.000 0.881 42 V CB 1.844 33.685 31.823 0.032 0.000 0.983 42 V HN 0.731 nan 8.190 nan 0.000 0.445 43 T N 7.099 121.700 114.554 0.079 0.000 3.053 43 T HA 0.332 4.682 4.350 -0.000 0.000 0.363 43 T C -2.492 172.243 174.700 0.058 0.000 1.239 43 T CA -1.021 61.130 62.100 0.086 0.000 1.071 43 T CB 1.112 70.024 68.868 0.074 0.000 1.089 43 T HN 0.517 nan 8.240 nan 0.000 0.527 44 P HA 0.098 nan 4.420 nan 0.000 0.272 44 P C -0.278 177.029 177.300 0.012 0.000 1.223 44 P CA -0.541 62.563 63.100 0.007 0.000 0.784 44 P CB 0.804 32.474 31.700 -0.049 0.000 0.923 45 Q N 2.095 121.895 119.800 -0.000 0.000 2.364 45 Q HA 0.147 4.487 4.340 -0.000 0.000 0.267 45 Q C -1.755 174.240 176.000 -0.009 0.000 0.999 45 Q CA -1.405 54.393 55.803 -0.008 0.000 0.886 45 Q CB -0.368 28.356 28.738 -0.023 0.000 1.243 45 Q HN 0.389 nan 8.270 nan 0.000 0.415 46 P HA -0.064 nan 4.420 nan 0.000 0.260 46 P C 0.321 177.613 177.300 -0.013 0.000 1.185 46 P CA 0.835 63.932 63.100 -0.004 0.000 0.763 46 P CB 0.227 31.925 31.700 -0.003 0.000 0.776 47 G N 1.502 110.292 108.800 -0.016 0.000 2.138 47 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.193 47 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.193 47 G C -0.384 174.498 174.900 -0.029 0.000 0.998 47 G CA -0.342 44.745 45.100 -0.021 0.000 0.668 47 G HN 0.536 nan 8.290 nan 0.000 0.516 48 V N 1.100 120.992 119.914 -0.037 0.000 2.483 48 V HA 0.480 4.599 4.120 -0.000 0.000 0.297 48 V C -0.087 175.952 176.094 -0.091 0.000 1.027 48 V CA -0.945 61.326 62.300 -0.048 0.000 0.855 48 V CB 1.813 33.616 31.823 -0.033 0.000 0.995 48 V HN 0.358 nan 8.190 nan 0.000 0.424 49 D N 8.082 128.418 120.400 -0.106 0.000 2.450 49 D HA 0.097 4.737 4.640 -0.000 0.000 0.247 49 D C -0.939 175.206 176.300 -0.258 0.000 1.162 49 D CA -1.412 52.488 54.000 -0.167 0.000 0.879 49 D CB 1.731 42.441 40.800 -0.150 0.000 1.163 49 D HN 0.247 nan 8.370 nan 0.000 0.472 50 P HA -0.215 nan 4.420 nan 0.000 0.215 50 P C 1.901 178.922 177.300 -0.464 0.000 1.163 50 P CA 1.215 63.959 63.100 -0.593 0.000 0.894 50 P CB 0.192 31.213 31.700 -1.132 0.000 0.791 51 I N -0.200 120.065 120.570 -0.508 0.000 2.151 51 I HA -0.275 3.895 4.170 -0.000 0.000 0.243 51 I C 2.776 178.598 176.117 -0.492 0.000 1.080 51 I CA 1.870 62.746 61.300 -0.706 0.000 1.339 51 I CB -0.749 36.685 38.000 -0.945 0.000 1.039 51 I HN 0.023 nan 8.210 nan 0.000 0.409 52 E N 1.411 121.424 120.200 -0.311 0.000 2.058 52 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 52 E C 2.112 178.669 176.600 -0.072 0.000 0.997 52 E CA 1.887 58.207 56.400 -0.133 0.000 0.801 52 E CB -0.248 29.409 29.700 -0.071 0.000 0.746 52 E HN 0.423 nan 8.360 nan 0.000 0.450 53 A N 0.929 123.682 122.820 -0.111 0.000 1.883 53 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 53 A C 2.501 180.003 177.584 -0.137 0.000 1.186 53 A CA 2.523 54.511 52.037 -0.080 0.000 0.624 53 A CB -1.264 17.677 19.000 -0.098 0.000 0.822 53 A HN 0.424 nan 8.150 nan 0.000 0.444 54 A N -0.201 122.524 122.820 -0.157 0.000 1.908 54 A HA 0.077 4.397 4.320 -0.000 0.000 0.218 54 A C 2.517 180.051 177.584 -0.084 0.000 1.181 54 A CA 2.427 54.398 52.037 -0.111 0.000 0.627 54 A CB -1.075 17.883 19.000 -0.070 0.000 0.818 54 A HN 1.168 nan 8.150 nan 0.000 0.445 55 A N -0.409 122.391 122.820 -0.034 0.000 1.930 55 A HA 0.206 4.526 4.320 -0.000 0.000 0.217 55 A C 2.477 179.931 177.584 -0.217 0.000 1.175 55 A CA 1.944 54.017 52.037 0.060 0.000 0.627 55 A CB -0.917 18.217 19.000 0.222 0.000 0.815 55 A HN 1.053 nan 8.150 nan 0.000 0.443 56 A N -0.431 122.227 122.820 -0.270 0.000 1.877 56 A HA -0.012 4.308 4.320 -0.000 0.000 0.216 56 A C 2.218 179.241 177.584 -0.934 0.000 1.186 56 A CA 1.787 53.408 52.037 -0.693 0.000 0.620 56 A CB -0.965 17.928 19.000 -0.179 0.000 0.822 56 A HN 0.385 nan 8.150 nan 0.000 0.443 57 V N -0.076 119.472 119.914 -0.609 0.000 2.287 57 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 57 V C 3.055 178.818 176.094 -0.551 0.000 1.053 57 V CA 2.037 63.956 62.300 -0.636 0.000 1.027 57 V CB -1.277 30.165 31.823 -0.635 0.000 0.646 57 V HN 0.622 nan 8.190 nan 0.000 0.447 58 A N 0.359 122.925 122.820 -0.424 0.000 1.902 58 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 58 A C 2.393 179.654 177.584 -0.538 0.000 1.181 58 A CA 1.952 53.786 52.037 -0.338 0.000 0.623 58 A CB -1.160 17.750 19.000 -0.150 0.000 0.818 58 A HN 0.525 nan 8.150 nan 0.000 0.443 59 G N -0.542 107.681 108.800 -0.963 0.000 2.434 59 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.214 59 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.214 59 G C 1.214 175.601 174.900 -0.855 0.000 1.202 59 G CA 0.747 44.986 45.100 -1.435 0.000 0.788 59 G HN 0.451 nan 8.290 nan 0.000 0.539 60 E N 0.854 120.519 120.200 -0.891 0.000 2.510 60 E HA -0.075 4.275 4.350 -0.000 0.000 0.202 60 E C 2.002 178.432 176.600 -0.283 0.000 1.072 60 E CA 1.089 57.157 56.400 -0.553 0.000 0.883 60 E CB -0.020 29.212 29.700 -0.780 0.000 0.818 60 E HN 0.592 nan 8.360 nan 0.000 0.548 61 S N -1.835 113.730 115.700 -0.225 0.000 2.819 61 S HA 0.164 4.634 4.470 -0.000 0.000 0.249 61 S C 1.260 175.924 174.600 0.107 0.000 1.030 61 S CA 0.191 58.394 58.200 0.005 0.000 1.052 61 S CB 0.396 63.678 63.200 0.136 0.000 1.017 61 S HN 0.119 nan 8.310 nan 0.000 0.576 62 S N 1.278 116.972 115.700 -0.010 0.000 3.313 62 S HA 0.243 4.713 4.470 -0.000 0.000 0.247 62 S C 1.381 176.001 174.600 0.034 0.000 1.058 62 S CA 0.738 58.965 58.200 0.046 0.000 0.794 62 S CB 0.148 63.359 63.200 0.019 0.000 0.842 62 S HN 0.676 nan 8.310 nan 0.000 0.526 63 T N -1.043 113.522 114.554 0.018 0.000 3.764 63 T HA 0.519 4.869 4.350 -0.000 0.000 0.300 63 T C 0.776 175.509 174.700 0.054 0.000 0.943 63 T CA 0.468 62.602 62.100 0.056 0.000 1.151 63 T CB -0.839 68.109 68.868 0.133 0.000 1.116 63 T HN 1.049 nan 8.240 nan 0.000 0.483 64 A N 1.726 124.573 122.820 0.046 0.000 2.622 64 A HA 0.409 4.729 4.320 -0.000 0.000 0.236 64 A C 0.469 178.132 177.584 0.131 0.000 1.003 64 A CA 1.282 53.373 52.037 0.091 0.000 0.781 64 A CB -0.631 18.220 19.000 -0.248 0.000 0.902 64 A HN 0.892 nan 8.150 nan 0.000 0.496 65 T N 2.585 117.260 114.554 0.202 0.000 2.903 65 T HA 0.479 4.829 4.350 -0.000 0.000 0.299 65 T C 1.122 175.954 174.700 0.221 0.000 1.093 65 T CA 0.020 62.257 62.100 0.228 0.000 1.002 65 T CB 0.441 69.388 68.868 0.132 0.000 1.127 65 T HN 1.192 nan 8.240 nan 0.000 0.488 66 W N 2.645 124.023 121.300 0.130 0.000 2.296 66 W HA 0.003 4.663 4.660 -0.000 0.000 0.296 66 W C 0.370 176.894 176.519 0.008 0.000 1.220 66 W CA 1.353 58.739 57.345 0.068 0.000 1.223 66 W CB -1.510 27.997 29.460 0.077 0.000 1.139 66 W HN 0.648 nan 8.180 nan 0.000 0.534 67 T N 1.291 115.405 114.554 -0.733 0.000 2.879 67 T HA 0.454 4.804 4.350 -0.000 0.000 0.290 67 T C -0.210 174.269 174.700 -0.369 0.000 0.993 67 T CA -0.620 61.075 62.100 -0.675 0.000 0.975 67 T CB 1.598 69.754 68.868 -1.188 0.000 0.981 67 T HN -0.099 nan 8.240 nan 0.000 0.439 68 V N 4.917 124.715 119.914 -0.194 0.000 3.287 68 V HA 0.475 4.595 4.120 -0.000 0.000 0.306 68 V C 0.735 176.826 176.094 -0.005 0.000 1.103 68 V CA -0.096 62.170 62.300 -0.056 0.000 1.159 68 V CB 0.718 32.504 31.823 -0.061 0.000 1.036 68 V HN 0.842 nan 8.190 nan 0.000 0.487 69 V N -0.585 119.395 119.914 0.111 0.000 3.181 69 V HA 0.500 4.620 4.120 -0.000 0.000 0.308 69 V C 0.402 176.602 176.094 0.176 0.000 1.214 69 V CA -0.729 61.633 62.300 0.102 0.000 1.053 69 V CB 1.930 33.718 31.823 -0.058 0.000 1.069 69 V HN 0.979 nan 8.190 nan 0.000 0.441 70 W N 0.366 121.682 121.300 0.027 0.000 2.494 70 W HA -0.003 4.656 4.660 -0.000 0.000 0.286 70 W C 1.573 178.016 176.519 -0.127 0.000 1.218 70 W CA 1.484 58.802 57.345 -0.045 0.000 1.313 70 W CB -1.736 27.708 29.460 -0.027 0.000 1.105 70 W HN 0.786 nan 8.180 nan 0.000 0.561 71 T N -0.396 113.445 114.554 -1.188 0.000 3.026 71 T HA -0.242 4.108 4.350 -0.000 0.000 0.271 71 T C 0.785 175.175 174.700 -0.516 0.000 1.149 71 T CA 1.864 63.307 62.100 -1.095 0.000 1.088 71 T CB -0.682 67.533 68.868 -1.087 0.000 0.857 71 T HN -0.001 nan 8.240 nan 0.000 0.551 72 D N 1.056 121.217 120.400 -0.399 0.000 2.183 72 D HA 0.028 4.668 4.640 -0.000 0.000 0.203 72 D C 1.528 177.631 176.300 -0.327 0.000 0.969 72 D CA 0.388 54.202 54.000 -0.309 0.000 0.842 72 D CB -0.193 40.462 40.800 -0.242 0.000 0.957 72 D HN 0.269 nan 8.370 nan 0.000 0.484 73 L N 0.417 121.406 121.223 -0.390 0.000 2.675 73 L HA 0.044 4.384 4.340 -0.000 0.000 0.238 73 L C 1.130 177.923 176.870 -0.128 0.000 1.155 73 L CA 0.846 55.525 54.840 -0.268 0.000 0.881 73 L CB -0.851 41.078 42.059 -0.217 0.000 1.008 73 L HN 0.225 nan 8.230 nan 0.000 0.443 74 L N -0.772 120.361 121.223 -0.150 0.000 2.700 74 L HA 0.121 4.461 4.340 -0.000 0.000 0.234 74 L C 0.669 177.487 176.870 -0.088 0.000 1.156 74 L CA 0.044 54.823 54.840 -0.103 0.000 0.946 74 L CB 0.066 42.037 42.059 -0.147 0.000 1.216 74 L HN 0.335 nan 8.230 nan 0.000 0.493 75 T N -4.919 109.592 114.554 -0.072 0.000 2.787 75 T HA 0.558 4.908 4.350 -0.000 0.000 0.297 75 T C -0.217 174.549 174.700 0.111 0.000 1.221 75 T CA -0.370 61.740 62.100 0.016 0.000 1.006 75 T CB 2.071 70.883 68.868 -0.094 0.000 1.328 75 T HN -0.107 nan 8.240 nan 0.000 0.509 76 A N 0.719 123.704 122.820 0.276 0.000 3.135 76 A HA 0.674 4.994 4.320 -0.000 0.000 0.253 76 A C 1.950 179.653 177.584 0.198 0.000 1.638 76 A CA 0.250 52.376 52.037 0.148 0.000 1.295 76 A CB -1.594 17.423 19.000 0.028 0.000 1.106 76 A HN 1.474 nan 8.150 nan 0.000 0.648 77 A N 1.127 124.079 122.820 0.219 0.000 1.923 77 A HA -0.350 3.970 4.320 -0.000 0.000 0.222 77 A C 1.648 179.329 177.584 0.161 0.000 1.258 77 A CA 2.661 54.841 52.037 0.238 0.000 0.670 77 A CB -0.869 18.209 19.000 0.130 0.000 0.834 77 A HN 0.628 nan 8.150 nan 0.000 0.470 78 D N -0.405 120.033 120.400 0.062 0.000 2.172 78 D HA -0.187 4.453 4.640 -0.000 0.000 0.196 78 D C 1.763 178.023 176.300 -0.066 0.000 0.999 78 D CA 1.181 55.176 54.000 -0.008 0.000 0.856 78 D CB -0.297 40.493 40.800 -0.016 0.000 0.934 78 D HN 0.365 nan 8.370 nan 0.000 0.453 79 L N -0.014 121.118 121.223 -0.153 0.000 1.994 79 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 79 L C 1.430 178.090 176.870 -0.350 0.000 1.071 79 L CA 1.812 56.454 54.840 -0.331 0.000 0.745 79 L CB -0.854 40.851 42.059 -0.590 0.000 0.892 79 L HN 0.156 nan 8.230 nan 0.000 0.431 80 Y N 0.319 120.608 120.300 -0.020 0.000 2.632 80 Y HA 0.068 4.618 4.550 0.000 0.000 0.301 80 Y C 1.046 176.951 175.900 0.009 0.000 1.172 80 Y CA -0.038 58.049 58.100 -0.021 0.000 1.328 80 Y CB -0.360 38.087 38.460 -0.021 0.000 1.016 80 Y HN 0.089 nan 8.280 nan 0.000 0.529 81 R N 1.173 121.736 120.500 0.103 0.000 2.221 81 R HA 0.553 4.893 4.340 -0.000 0.000 0.327 81 R C -0.007 176.308 176.300 0.025 0.000 1.033 81 R CA -0.449 55.737 56.100 0.144 0.000 0.887 81 R CB 0.902 31.223 30.300 0.034 0.000 1.057 81 R HN 0.100 nan 8.270 nan 0.000 0.455 82 A N 4.328 127.162 122.820 0.024 0.000 2.388 82 A HA 0.244 4.564 4.320 -0.000 0.000 0.257 82 A C -0.217 177.283 177.584 -0.140 0.000 1.095 82 A CA -0.382 51.517 52.037 -0.231 0.000 0.791 82 A CB 0.431 19.109 19.000 -0.538 0.000 1.029 82 A HN 0.622 nan 8.150 nan 0.000 0.489 83 K N 1.607 121.838 120.400 -0.282 0.000 2.397 83 K HA 0.670 4.990 4.320 -0.000 0.000 0.253 83 K C -0.793 175.802 176.600 -0.009 0.000 0.932 83 K CA -0.370 55.812 56.287 -0.174 0.000 0.795 83 K CB 1.849 34.108 32.500 -0.402 0.000 1.159 83 K HN 0.631 nan 8.250 nan 0.000 0.424 84 A N 3.170 126.084 122.820 0.156 0.000 2.309 84 A HA 0.376 4.696 4.320 -0.000 0.000 0.290 84 A C -0.225 177.546 177.584 0.311 0.000 1.206 84 A CA -0.558 51.669 52.037 0.316 0.000 0.850 84 A CB -0.394 18.847 19.000 0.402 0.000 1.118 84 A HN 0.846 nan 8.150 nan 0.000 0.523 85 Y N 0.701 121.095 120.300 0.158 0.000 2.500 85 Y HA 0.552 5.102 4.550 -0.000 0.000 0.246 85 Y C 0.144 176.093 175.900 0.082 0.000 1.146 85 Y CA -0.572 57.501 58.100 -0.044 0.000 1.230 85 Y CB 0.099 38.618 38.460 0.098 0.000 1.214 85 Y HN 0.492 nan 8.280 nan 0.000 0.526 86 K N 1.076 121.477 120.400 0.002 0.000 2.575 86 K HA 0.589 4.909 4.320 -0.000 0.000 0.255 86 K C -2.383 174.432 176.600 0.359 0.000 0.953 86 K CA -0.587 55.780 56.287 0.134 0.000 0.840 86 K CB 2.287 34.618 32.500 -0.281 0.000 1.303 86 K HN -0.046 nan 8.250 nan 0.000 0.438 87 V N 3.436 123.580 119.914 0.384 0.000 2.525 87 V HA 0.422 4.542 4.120 -0.000 0.000 0.299 87 V C -1.099 175.179 176.094 0.306 0.000 1.034 87 V CA -0.833 61.647 62.300 0.300 0.000 0.863 87 V CB 1.812 33.693 31.823 0.096 0.000 0.999 87 V HN 0.768 nan 8.190 nan 0.000 0.423 88 D N 2.380 123.003 120.400 0.372 0.000 2.433 88 D HA 0.396 5.036 4.640 -0.000 0.000 0.236 88 D C -0.459 175.996 176.300 0.258 0.000 1.026 88 D CA -0.472 53.730 54.000 0.337 0.000 0.884 88 D CB 2.193 43.250 40.800 0.427 0.000 1.384 88 D HN 0.566 nan 8.370 nan 0.000 0.477 89 Q N 0.681 120.538 119.800 0.094 0.000 2.259 89 Q HA 0.362 4.702 4.340 -0.000 0.000 0.249 89 Q C -0.720 175.063 176.000 -0.361 0.000 0.914 89 Q CA -0.717 54.881 55.803 -0.342 0.000 0.904 89 Q CB 1.198 29.741 28.738 -0.326 0.000 1.213 89 Q HN 0.217 nan 8.270 nan 0.000 0.428 90 V N 7.409 126.940 119.914 -0.639 0.000 2.540 90 V HA -0.050 4.070 4.120 -0.000 0.000 0.297 90 V C -1.511 174.371 176.094 -0.354 0.000 1.024 90 V CA -0.709 61.227 62.300 -0.606 0.000 1.105 90 V CB 0.599 32.021 31.823 -0.668 0.000 0.938 90 V HN 0.915 nan 8.190 nan 0.000 0.482 91 P HA -0.244 nan 4.420 nan 0.000 0.221 91 P C 0.508 177.684 177.300 -0.208 0.000 1.107 91 P CA 2.032 64.962 63.100 -0.283 0.000 0.986 91 P CB 0.004 31.414 31.700 -0.483 0.000 0.774 92 N N -1.756 116.827 118.700 -0.195 0.000 2.538 92 N HA 0.127 4.866 4.740 -0.000 0.000 0.291 92 N C -0.360 175.069 175.510 -0.135 0.000 1.323 92 N CA -0.129 52.837 53.050 -0.139 0.000 0.934 92 N CB -0.106 38.318 38.487 -0.104 0.000 1.255 92 N HN 0.050 nan 8.380 nan 0.000 0.509 93 N N 0.942 119.531 118.700 -0.185 0.000 2.793 93 N HA 0.091 4.831 4.740 -0.000 0.000 0.251 93 N C -2.573 172.777 175.510 -0.266 0.000 1.308 93 N CA -1.208 51.734 53.050 -0.181 0.000 0.781 93 N CB 1.503 39.892 38.487 -0.164 0.000 1.439 93 N HN -0.016 nan 8.380 nan 0.000 0.562 94 P HA 0.028 nan 4.420 nan 0.000 0.244 94 P C 0.194 177.373 177.300 -0.203 0.000 1.211 94 P CA 0.772 63.724 63.100 -0.246 0.000 0.760 94 P CB 0.450 32.085 31.700 -0.108 0.000 0.961 95 E N -0.659 119.440 120.200 -0.169 0.000 2.389 95 E HA 0.056 4.406 4.350 -0.000 0.000 0.199 95 E C 0.618 177.212 176.600 -0.009 0.000 0.978 95 E CA 0.172 56.557 56.400 -0.024 0.000 0.912 95 E CB 0.278 29.969 29.700 -0.014 0.000 0.907 95 E HN 0.488 nan 8.360 nan 0.000 0.494 96 Q N -0.037 119.620 119.800 -0.238 0.000 2.301 96 Q HA 0.506 4.846 4.340 -0.000 0.000 0.267 96 Q C -1.287 174.389 176.000 -0.539 0.000 1.035 96 Q CA -0.585 55.095 55.803 -0.204 0.000 0.856 96 Q CB 1.726 30.331 28.738 -0.221 0.000 1.337 96 Q HN -0.003 nan 8.270 nan 0.000 0.450 97 Y N -0.196 119.951 120.300 -0.255 0.000 2.544 97 Y HA 0.425 4.975 4.550 -0.000 0.000 0.342 97 Y C -1.114 174.650 175.900 -0.226 0.000 1.062 97 Y CA -1.038 56.906 58.100 -0.260 0.000 1.023 97 Y CB 1.253 39.650 38.460 -0.105 0.000 1.308 97 Y HN 0.489 nan 8.280 nan 0.000 0.457 98 F N 1.851 121.907 119.950 0.178 0.000 2.391 98 F HA 0.655 5.182 4.527 -0.000 0.000 0.359 98 F C 0.330 176.168 175.800 0.064 0.000 1.122 98 F CA -1.244 56.777 58.000 0.036 0.000 1.120 98 F CB 0.863 39.869 39.000 0.010 0.000 1.142 98 F HN 0.498 nan 8.300 nan 0.000 0.483 99 A N 4.639 127.581 122.820 0.203 0.000 2.271 99 A HA 0.619 4.939 4.320 -0.000 0.000 0.317 99 A C -1.473 176.173 177.584 0.104 0.000 1.245 99 A CA -0.491 51.664 52.037 0.196 0.000 0.857 99 A CB -0.060 19.048 19.000 0.181 0.000 1.175 99 A HN 0.582 nan 8.150 nan 0.000 0.512 100 Y N 2.031 122.348 120.300 0.029 0.000 2.327 100 Y HA 0.552 5.102 4.550 -0.000 0.000 0.336 100 Y C 0.247 176.177 175.900 0.050 0.000 1.035 100 Y CA -0.099 57.968 58.100 -0.054 0.000 1.165 100 Y CB 1.069 39.186 38.460 -0.572 0.000 1.181 100 Y HN 0.484 nan 8.280 nan 0.000 0.494 101 I N 2.856 123.716 120.570 0.482 0.000 2.533 101 I HA 0.641 4.811 4.170 -0.000 0.000 0.290 101 I C -0.667 175.718 176.117 0.448 0.000 1.056 101 I CA -1.102 60.454 61.300 0.425 0.000 1.057 101 I CB 1.981 40.166 38.000 0.309 0.000 1.240 101 I HN 0.629 nan 8.210 nan 0.000 0.423 102 A N 5.876 128.823 122.820 0.212 0.000 2.288 102 A HA 0.780 5.100 4.320 -0.000 0.000 0.320 102 A C -1.573 175.970 177.584 -0.069 0.000 1.217 102 A CA -0.275 51.840 52.037 0.130 0.000 0.840 102 A CB 0.422 19.444 19.000 0.037 0.000 1.179 102 A HN 0.554 nan 8.150 nan 0.000 0.504 103 Y N 0.861 121.224 120.300 0.105 0.000 2.341 103 Y HA 0.456 5.006 4.550 -0.000 0.000 0.338 103 Y C 0.470 176.450 175.900 0.134 0.000 0.965 103 Y CA -1.026 57.154 58.100 0.135 0.000 1.108 103 Y CB 1.403 40.056 38.460 0.322 0.000 1.180 103 Y HN 0.826 nan 8.280 nan 0.000 0.458 104 E N 2.850 123.147 120.200 0.163 0.000 2.452 104 E HA -0.037 4.313 4.350 -0.000 0.000 0.261 104 E C 0.747 177.428 176.600 0.134 0.000 0.987 104 E CA 0.260 56.711 56.400 0.084 0.000 0.926 104 E CB 0.619 30.294 29.700 -0.041 0.000 0.934 104 E HN 0.842 nan 8.360 nan 0.000 0.452 105 L N 3.490 124.781 121.223 0.114 0.000 1.990 105 L HA -0.243 4.097 4.340 -0.000 0.000 0.213 105 L C 0.852 177.796 176.870 0.124 0.000 1.072 105 L CA 2.074 56.996 54.840 0.137 0.000 0.755 105 L CB -0.292 41.818 42.059 0.084 0.000 0.889 105 L HN 0.646 nan 8.230 nan 0.000 0.432 106 D N -0.121 120.303 120.400 0.040 0.000 2.393 106 D HA -0.181 4.459 4.640 -0.000 0.000 0.220 106 D C 2.069 178.353 176.300 -0.027 0.000 0.974 106 D CA 0.775 54.786 54.000 0.018 0.000 0.931 106 D CB -0.135 40.655 40.800 -0.018 0.000 0.889 106 D HN 0.388 nan 8.370 nan 0.000 0.512 107 L N -1.045 120.076 121.223 -0.171 0.000 2.341 107 L HA 0.042 4.382 4.340 -0.000 0.000 0.214 107 L C 0.282 176.817 176.870 -0.558 0.000 1.115 107 L CA 0.241 54.841 54.840 -0.399 0.000 0.820 107 L CB -0.064 41.584 42.059 -0.684 0.000 0.944 107 L HN -0.100 nan 8.230 nan 0.000 0.452 108 F N -0.243 119.695 119.950 -0.021 0.000 2.425 108 F HA 0.310 4.837 4.527 -0.000 0.000 0.331 108 F C 0.622 176.480 175.800 0.097 0.000 1.085 108 F CA -1.172 56.825 58.000 -0.006 0.000 1.028 108 F CB 0.901 39.789 39.000 -0.186 0.000 1.177 108 F HN -0.182 nan 8.300 nan 0.000 0.487 109 E N 1.496 121.877 120.200 0.302 0.000 2.289 109 E HA 0.182 4.532 4.350 -0.000 0.000 0.278 109 E C -0.907 175.834 176.600 0.235 0.000 1.032 109 E CA -0.676 55.842 56.400 0.196 0.000 0.854 109 E CB 0.613 30.376 29.700 0.104 0.000 1.046 109 E HN 0.500 nan 8.360 nan 0.000 0.409 110 E N 2.641 122.921 120.200 0.134 0.000 2.465 110 E HA 0.161 4.511 4.350 -0.000 0.000 0.260 110 E C 0.890 177.277 176.600 -0.354 0.000 0.980 110 E CA 1.316 57.698 56.400 -0.029 0.000 0.927 110 E CB 0.465 30.141 29.700 -0.040 0.000 0.934 110 E HN 0.812 nan 8.360 nan 0.000 0.459 111 G N 2.631 110.837 108.800 -0.989 0.000 2.203 111 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.263 111 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.263 111 G C 0.231 174.590 174.900 -0.901 0.000 1.012 111 G CA 0.634 44.728 45.100 -1.676 0.000 0.749 111 G HN 0.533 nan 8.290 nan 0.000 0.512 112 S N -0.215 115.278 115.700 -0.344 0.000 2.566 112 S HA 0.601 5.071 4.470 -0.000 0.000 0.324 112 S C 1.570 176.247 174.600 0.128 0.000 1.081 112 S CA -0.896 57.287 58.200 -0.028 0.000 1.105 112 S CB 0.308 63.511 63.200 0.004 0.000 0.981 112 S HN 0.173 nan 8.310 nan 0.000 0.464 113 I N 4.232 124.856 120.570 0.090 0.000 2.394 113 I HA -0.051 4.119 4.170 -0.000 0.000 0.251 113 I C 2.557 178.536 176.117 -0.229 0.000 1.136 113 I CA 1.243 62.450 61.300 -0.156 0.000 1.425 113 I CB -1.728 36.104 38.000 -0.280 0.000 1.079 113 I HN 0.751 nan 8.210 nan 0.000 0.425 114 A N 0.868 123.664 122.820 -0.039 0.000 1.898 114 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 114 A C 2.246 179.825 177.584 -0.009 0.000 1.181 114 A CA 1.902 53.951 52.037 0.019 0.000 0.620 114 A CB -0.962 18.070 19.000 0.052 0.000 0.819 114 A HN 0.518 nan 8.150 nan 0.000 0.442 115 N N -0.445 118.270 118.700 0.025 0.000 2.084 115 N HA -0.169 4.571 4.740 -0.000 0.000 0.190 115 N C 1.866 177.434 175.510 0.097 0.000 1.030 115 N CA 1.557 54.650 53.050 0.071 0.000 0.849 115 N CB -0.186 38.375 38.487 0.123 0.000 1.012 115 N HN 0.339 nan 8.380 nan 0.000 0.423 116 L N 1.572 122.837 121.223 0.070 0.000 1.971 116 L HA -0.211 4.129 4.340 -0.000 0.000 0.215 116 L C 2.622 179.388 176.870 -0.173 0.000 1.072 116 L CA 2.633 57.459 54.840 -0.024 0.000 0.758 116 L CB -1.446 40.470 42.059 -0.237 0.000 0.889 116 L HN 0.367 nan 8.230 nan 0.000 0.433 117 T N -2.637 111.666 114.554 -0.418 0.000 2.788 117 T HA -0.143 4.207 4.350 -0.000 0.000 0.268 117 T C 1.888 176.527 174.700 -0.101 0.000 1.044 117 T CA 1.193 63.041 62.100 -0.421 0.000 1.139 117 T CB -1.072 67.474 68.868 -0.536 0.000 0.867 117 T HN 0.443 nan 8.240 nan 0.000 0.454 118 A N 1.608 124.403 122.820 -0.041 0.000 1.902 118 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 118 A C 2.706 180.322 177.584 0.054 0.000 1.181 118 A CA 1.897 53.946 52.037 0.019 0.000 0.623 118 A CB -1.024 17.988 19.000 0.021 0.000 0.818 118 A HN 0.541 nan 8.150 nan 0.000 0.443 119 S N -0.035 115.710 115.700 0.074 0.000 2.338 119 S HA -0.089 4.381 4.470 -0.000 0.000 0.218 119 S C 1.842 176.526 174.600 0.139 0.000 1.032 119 S CA 1.425 59.686 58.200 0.102 0.000 0.999 119 S CB -0.346 62.945 63.200 0.152 0.000 0.905 119 S HN 0.467 nan 8.310 nan 0.000 0.439 120 I N 2.000 122.642 120.570 0.120 0.000 2.202 120 I HA -0.043 4.126 4.170 -0.000 0.000 0.242 120 I C 1.926 178.252 176.117 0.348 0.000 1.091 120 I CA 1.390 62.795 61.300 0.175 0.000 1.368 120 I CB -1.101 36.953 38.000 0.090 0.000 1.058 120 I HN 0.392 nan 8.210 nan 0.000 0.410 121 I N -2.428 118.308 120.570 0.278 0.000 3.877 121 I HA 0.431 4.601 4.170 -0.000 0.000 0.332 121 I C 1.740 177.990 176.117 0.221 0.000 1.525 121 I CA -0.036 61.476 61.300 0.354 0.000 1.146 121 I CB -0.082 38.019 38.000 0.168 0.000 1.137 121 I HN -0.047 nan 8.210 nan 0.000 0.424 122 G N 2.094 110.995 108.800 0.168 0.000 2.421 122 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.216 122 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.216 122 G C 1.258 176.237 174.900 0.132 0.000 1.171 122 G CA 1.103 46.272 45.100 0.115 0.000 0.775 122 G HN 0.480 nan 8.290 nan 0.000 0.543 123 N N -0.691 118.098 118.700 0.147 0.000 2.486 123 N HA -0.031 4.709 4.740 -0.000 0.000 0.242 123 N C 2.367 177.977 175.510 0.167 0.000 1.083 123 N CA 1.011 54.147 53.050 0.143 0.000 0.844 123 N CB -0.029 38.514 38.487 0.094 0.000 1.527 123 N HN 0.216 nan 8.380 nan 0.000 0.462 124 V N 0.081 120.037 119.914 0.070 0.000 2.409 124 V HA -0.276 3.844 4.120 -0.000 0.000 0.261 124 V C 1.709 177.788 176.094 -0.025 0.000 1.099 124 V CA 1.729 63.971 62.300 -0.096 0.000 1.100 124 V CB -1.491 30.150 31.823 -0.304 0.000 0.677 124 V HN 0.042 nan 8.190 nan 0.000 0.460 125 F N 2.034 122.036 119.950 0.087 0.000 2.771 125 F HA 0.357 4.884 4.527 -0.000 0.000 0.299 125 F C 2.218 178.148 175.800 0.217 0.000 1.177 125 F CA 0.990 59.095 58.000 0.175 0.000 1.450 125 F CB -0.467 38.631 39.000 0.164 0.000 1.114 125 F HN 0.352 nan 8.300 nan 0.000 0.587 126 G N -1.750 107.237 108.800 0.311 0.000 3.192 126 G HA2 0.014 3.974 3.960 -0.000 0.000 0.239 126 G HA3 0.014 3.974 3.960 -0.000 0.000 0.239 126 G C 0.023 175.043 174.900 0.199 0.000 1.084 126 G CA -0.160 45.075 45.100 0.226 0.000 0.784 126 G HN 0.077 nan 8.290 nan 0.000 0.540 127 F N 2.072 122.040 119.950 0.031 0.000 2.578 127 F HA 0.280 4.807 4.527 -0.000 0.000 0.381 127 F C 1.644 177.441 175.800 -0.005 0.000 1.069 127 F CA -0.225 57.773 58.000 -0.002 0.000 1.231 127 F CB 1.016 39.987 39.000 -0.047 0.000 1.086 127 F HN -0.074 nan 8.300 nan 0.000 0.564 128 K N 3.889 124.049 120.400 -0.400 0.000 1.985 128 K HA -0.136 4.183 4.320 -0.000 0.000 0.210 128 K C 2.141 178.606 176.600 -0.226 0.000 1.047 128 K CA 1.400 57.518 56.287 -0.282 0.000 0.932 128 K CB -0.384 31.931 32.500 -0.308 0.000 0.716 128 K HN 0.763 nan 8.250 nan 0.000 0.439 129 A N 1.136 123.741 122.820 -0.357 0.000 2.104 129 A HA -0.117 4.203 4.320 -0.000 0.000 0.223 129 A C 0.935 178.528 177.584 0.016 0.000 1.164 129 A CA 1.152 53.120 52.037 -0.114 0.000 0.659 129 A CB -0.355 18.639 19.000 -0.010 0.000 0.808 129 A HN 0.089 nan 8.150 nan 0.000 0.465 130 V N 0.200 120.158 119.914 0.072 0.000 2.347 130 V HA 0.158 4.278 4.120 -0.000 0.000 0.280 130 V C 1.216 177.334 176.094 0.040 0.000 1.021 130 V CA -0.240 62.102 62.300 0.070 0.000 0.847 130 V CB 1.331 33.209 31.823 0.092 0.000 0.990 130 V HN 0.553 nan 8.190 nan 0.000 0.444 131 K N 3.620 124.035 120.400 0.025 0.000 2.097 131 K HA 0.111 4.431 4.320 -0.000 0.000 0.206 131 K C 0.609 177.223 176.600 0.024 0.000 1.049 131 K CA 1.437 57.731 56.287 0.013 0.000 0.933 131 K CB 0.181 32.690 32.500 0.014 0.000 0.717 131 K HN 0.847 nan 8.250 nan 0.000 0.442 132 A N 0.205 123.073 122.820 0.079 0.000 2.604 132 A HA 0.604 4.924 4.320 -0.000 0.000 0.295 132 A C -2.067 175.654 177.584 0.228 0.000 1.067 132 A CA -0.818 51.335 52.037 0.193 0.000 0.683 132 A CB 1.557 20.661 19.000 0.175 0.000 1.281 132 A HN 0.116 nan 8.150 nan 0.000 0.407 133 L N 0.627 122.084 121.223 0.390 0.000 2.472 133 L HA 0.836 5.176 4.340 -0.000 0.000 0.260 133 L C -0.671 176.204 176.870 0.007 0.000 0.963 133 L CA -0.147 54.699 54.840 0.009 0.000 0.829 133 L CB 2.005 43.821 42.059 -0.405 0.000 1.348 133 L HN 0.833 nan 8.230 nan 0.000 0.408 134 R N 4.053 124.636 120.500 0.138 0.000 2.510 134 R HA 0.482 4.822 4.340 -0.000 0.000 0.287 134 R C -1.872 174.600 176.300 0.287 0.000 1.084 134 R CA -0.860 55.395 56.100 0.259 0.000 0.934 134 R CB 1.630 32.058 30.300 0.214 0.000 1.201 134 R HN 0.659 nan 8.270 nan 0.000 0.431 135 L N 4.970 126.390 121.223 0.329 0.000 2.342 135 L HA 0.195 4.534 4.340 -0.000 0.000 0.285 135 L C 0.876 177.699 176.870 -0.078 0.000 1.095 135 L CA 0.600 55.441 54.840 0.001 0.000 0.843 135 L CB 0.858 42.936 42.059 0.032 0.000 1.201 135 L HN 0.686 nan 8.230 nan 0.000 0.445 136 E N 2.203 122.307 120.200 -0.161 0.000 2.086 136 E HA 0.026 4.376 4.350 -0.000 0.000 0.190 136 E C -0.074 176.451 176.600 -0.125 0.000 0.975 136 E CA 0.691 57.012 56.400 -0.132 0.000 0.813 136 E CB 0.273 29.792 29.700 -0.301 0.000 0.768 136 E HN 0.781 nan 8.360 nan 0.000 0.457 137 D N -1.831 118.454 120.400 -0.192 0.000 2.671 137 D HA 0.392 5.032 4.640 -0.000 0.000 0.273 137 D C -1.337 174.969 176.300 0.010 0.000 1.264 137 D CA -0.445 53.528 54.000 -0.045 0.000 0.788 137 D CB 1.376 42.255 40.800 0.132 0.000 1.324 137 D HN -0.198 nan 8.370 nan 0.000 0.424 138 M N 0.825 120.427 119.600 0.003 0.000 2.531 138 M HA 0.427 4.907 4.480 -0.000 0.000 0.286 138 M C -1.207 174.899 176.300 -0.323 0.000 1.232 138 M CA -0.886 54.302 55.300 -0.187 0.000 0.877 138 M CB 2.616 35.084 32.600 -0.221 0.000 1.726 138 M HN 0.177 nan 8.290 nan 0.000 0.463 139 R N 3.080 123.199 120.500 -0.635 0.000 2.358 139 R HA 0.532 4.871 4.340 -0.000 0.000 0.309 139 R C -2.079 173.988 176.300 -0.388 0.000 1.026 139 R CA -0.358 55.403 56.100 -0.564 0.000 0.909 139 R CB 0.176 29.970 30.300 -0.844 0.000 1.153 139 R HN 0.722 nan 8.270 nan 0.000 0.515 140 L N 6.957 127.985 121.223 -0.325 0.000 2.260 140 L HA 0.406 4.746 4.340 -0.000 0.000 0.289 140 L C -1.646 175.131 176.870 -0.155 0.000 1.057 140 L CA -1.845 52.863 54.840 -0.220 0.000 0.811 140 L CB 1.303 43.241 42.059 -0.201 0.000 1.184 140 L HN 0.309 nan 8.230 nan 0.000 0.429 141 P HA -0.105 nan 4.420 nan 0.000 0.267 141 P C 0.625 177.943 177.300 0.029 0.000 1.200 141 P CA -0.418 62.666 63.100 -0.026 0.000 0.772 141 P CB 1.233 32.934 31.700 0.001 0.000 0.855 142 L N 4.007 125.237 121.223 0.012 0.000 2.042 142 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 142 L C 2.388 179.304 176.870 0.078 0.000 1.076 142 L CA 2.425 57.285 54.840 0.033 0.000 0.749 142 L CB -1.977 40.095 42.059 0.022 0.000 0.893 142 L HN 0.504 nan 8.230 nan 0.000 0.432 143 A N -2.404 120.470 122.820 0.090 0.000 2.172 143 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 143 A C 2.044 179.743 177.584 0.193 0.000 1.154 143 A CA 1.300 53.405 52.037 0.113 0.000 0.701 143 A CB -0.810 18.247 19.000 0.095 0.000 0.789 143 A HN 0.624 nan 8.150 nan 0.000 0.465 144 Y N -0.627 119.707 120.300 0.058 0.000 2.441 144 Y HA 0.149 4.698 4.550 -0.000 0.000 0.288 144 Y C 1.738 177.769 175.900 0.217 0.000 1.118 144 Y CA 0.243 58.409 58.100 0.111 0.000 1.215 144 Y CB 0.065 38.547 38.460 0.036 0.000 1.118 144 Y HN 0.149 nan 8.280 nan 0.000 0.547 145 L N 0.621 121.907 121.223 0.106 0.000 2.093 145 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 145 L C 1.976 178.942 176.870 0.161 0.000 1.085 145 L CA 1.548 56.440 54.840 0.086 0.000 0.755 145 L CB -1.148 40.964 42.059 0.089 0.000 0.904 145 L HN 0.147 nan 8.230 nan 0.000 0.435 146 K N -0.196 120.271 120.400 0.112 0.000 2.442 146 K HA -0.090 4.230 4.320 -0.000 0.000 0.198 146 K C 1.779 178.405 176.600 0.043 0.000 1.044 146 K CA 1.284 57.619 56.287 0.081 0.000 0.948 146 K CB -0.487 32.050 32.500 0.063 0.000 0.762 146 K HN 0.534 nan 8.250 nan 0.000 0.472 147 T N -2.280 112.285 114.554 0.019 0.000 3.129 147 T HA 0.116 4.466 4.350 -0.000 0.000 0.251 147 T C 0.548 175.041 174.700 -0.345 0.000 1.117 147 T CA -0.177 61.827 62.100 -0.160 0.000 1.034 147 T CB -0.157 68.552 68.868 -0.264 0.000 0.968 147 T HN -0.175 nan 8.240 nan 0.000 0.526 148 F N 1.108 120.967 119.950 -0.152 0.000 2.483 148 F HA 0.510 5.037 4.527 -0.000 0.000 0.329 148 F C 1.593 177.354 175.800 -0.064 0.000 1.064 148 F CA -1.423 56.505 58.000 -0.120 0.000 0.986 148 F CB 1.871 40.790 39.000 -0.135 0.000 1.218 148 F HN -0.127 nan 8.300 nan 0.000 0.484 149 Q N 1.606 121.470 119.800 0.108 0.000 2.137 149 Q HA 0.252 4.592 4.340 -0.000 0.000 0.198 149 Q C 0.767 176.797 176.000 0.049 0.000 0.960 149 Q CA 1.026 56.860 55.803 0.051 0.000 0.847 149 Q CB -0.006 28.747 28.738 0.025 0.000 0.915 149 Q HN 0.980 nan 8.270 nan 0.000 0.448 150 G N 0.700 109.537 108.800 0.062 0.000 2.795 150 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.664 150 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.664 150 G C -2.620 172.261 174.900 -0.031 0.000 1.381 150 G CA -0.538 44.555 45.100 -0.012 0.000 0.853 150 G HN 0.251 nan 8.290 nan 0.000 0.545 151 P HA 0.247 nan 4.420 nan 0.000 0.263 151 P C 1.135 178.415 177.300 -0.034 0.000 1.168 151 P CA 1.124 64.189 63.100 -0.059 0.000 0.759 151 P CB 0.504 32.155 31.700 -0.082 0.000 0.782 152 A N 3.724 126.530 122.820 -0.024 0.000 1.883 152 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 152 A C 1.756 179.326 177.584 -0.023 0.000 1.186 152 A CA 2.430 54.456 52.037 -0.018 0.000 0.624 152 A CB -1.245 17.750 19.000 -0.009 0.000 0.822 152 A HN 0.531 nan 8.150 nan 0.000 0.444 153 T N -2.322 112.218 114.554 -0.023 0.000 3.156 153 T HA 0.490 4.840 4.350 -0.000 0.000 0.236 153 T C 0.942 175.641 174.700 -0.002 0.000 0.978 153 T CA 0.950 63.044 62.100 -0.011 0.000 1.240 153 T CB -0.187 68.677 68.868 -0.007 0.000 0.951 153 T HN 1.733 nan 8.240 nan 0.000 0.420 154 G N 0.565 109.365 108.800 0.001 0.000 2.692 154 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.686 154 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.686 154 G C 0.606 175.527 174.900 0.035 0.000 1.243 154 G CA -0.503 44.597 45.100 -0.001 0.000 0.782 154 G HN 0.223 nan 8.290 nan 0.000 0.625 155 V N 2.176 122.109 119.914 0.032 0.000 2.324 155 V HA -0.244 3.876 4.120 -0.000 0.000 0.250 155 V C 2.929 179.065 176.094 0.070 0.000 1.060 155 V CA 2.263 64.596 62.300 0.055 0.000 1.042 155 V CB -0.662 31.182 31.823 0.034 0.000 0.650 155 V HN 0.696 nan 8.190 nan 0.000 0.450 156 I N -0.660 119.948 120.570 0.063 0.000 2.179 156 I HA -0.181 3.989 4.170 -0.000 0.000 0.242 156 I C 2.338 178.517 176.117 0.103 0.000 1.088 156 I CA 1.636 62.991 61.300 0.091 0.000 1.357 156 I CB -1.207 36.834 38.000 0.067 0.000 1.051 156 I HN 0.336 nan 8.210 nan 0.000 0.409 157 L N 0.982 122.247 121.223 0.070 0.000 2.109 157 L HA -0.127 4.213 4.340 -0.000 0.000 0.207 157 L C 2.491 179.401 176.870 0.068 0.000 1.086 157 L CA 1.671 56.550 54.840 0.066 0.000 0.760 157 L CB -0.764 41.318 42.059 0.039 0.000 0.910 157 L HN 0.288 nan 8.230 nan 0.000 0.437 158 E N -0.456 119.785 120.200 0.069 0.000 2.051 158 E HA -0.253 4.097 4.350 -0.000 0.000 0.192 158 E C 2.244 178.872 176.600 0.047 0.000 0.991 158 E CA 1.304 57.754 56.400 0.083 0.000 0.799 158 E CB -0.066 29.715 29.700 0.134 0.000 0.748 158 E HN 0.491 nan 8.360 nan 0.000 0.449 159 R N 0.297 120.806 120.500 0.015 0.000 2.096 159 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 159 R C 2.298 178.449 176.300 -0.250 0.000 1.127 159 R CA 1.523 57.523 56.100 -0.168 0.000 0.968 159 R CB -0.254 29.963 30.300 -0.139 0.000 0.861 159 R HN 0.332 nan 8.270 nan 0.000 0.440 160 E N 0.426 120.668 120.200 0.069 0.000 2.204 160 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 160 E C 1.981 178.633 176.600 0.086 0.000 0.989 160 E CA 0.694 57.216 56.400 0.203 0.000 0.824 160 E CB 0.066 29.904 29.700 0.229 0.000 0.756 160 E HN 0.304 nan 8.360 nan 0.000 0.477 161 R N 0.074 120.598 120.500 0.040 0.000 2.200 161 R HA 0.057 4.397 4.340 -0.000 0.000 0.208 161 R C 1.990 178.296 176.300 0.010 0.000 1.033 161 R CA 0.528 56.650 56.100 0.037 0.000 1.000 161 R CB 0.114 30.442 30.300 0.046 0.000 0.906 161 R HN 0.182 nan 8.270 nan 0.000 0.462 162 L N 0.031 121.227 121.223 -0.046 0.000 2.513 162 L HA 0.086 4.426 4.340 -0.000 0.000 0.222 162 L C 0.182 176.955 176.870 -0.162 0.000 1.096 162 L CA -0.010 54.776 54.840 -0.090 0.000 0.857 162 L CB -0.033 41.956 42.059 -0.116 0.000 1.026 162 L HN 0.110 nan 8.230 nan 0.000 0.469 163 D N 1.690 121.954 120.400 -0.225 0.000 2.723 163 D HA -0.202 4.438 4.640 -0.000 0.000 0.236 163 D C -0.234 175.814 176.300 -0.420 0.000 1.138 163 D CA 0.866 54.743 54.000 -0.204 0.000 0.676 163 D CB -0.707 40.099 40.800 0.012 0.000 1.069 163 D HN 0.302 nan 8.370 nan 0.000 0.430 164 K N 0.779 120.669 120.400 -0.850 0.000 2.502 164 K HA 0.537 4.857 4.320 -0.000 0.000 0.254 164 K C -0.586 175.518 176.600 -0.827 0.000 0.947 164 K CA -0.625 55.310 56.287 -0.585 0.000 0.834 164 K CB 1.096 33.402 32.500 -0.324 0.000 1.112 164 K HN -0.023 nan 8.250 nan 0.000 0.427 165 F N -0.622 119.331 119.950 0.004 0.000 2.620 165 F HA 0.475 5.002 4.527 -0.000 0.000 0.320 165 F C 1.270 177.073 175.800 0.006 0.000 1.069 165 F CA -0.880 57.126 58.000 0.009 0.000 0.953 165 F CB 1.884 40.890 39.000 0.011 0.000 1.322 165 F HN 0.674 nan 8.300 nan 0.000 0.479 166 G N 1.179 110.108 108.800 0.215 0.000 2.166 166 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.260 166 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.260 166 G C -0.178 174.760 174.900 0.063 0.000 0.986 166 G CA 0.464 45.633 45.100 0.116 0.000 0.683 166 G HN 0.981 nan 8.290 nan 0.000 0.527 167 R N -1.779 118.751 120.500 0.050 0.000 2.663 167 R HA 0.612 4.952 4.340 -0.000 0.000 0.267 167 R C -3.451 172.863 176.300 0.024 0.000 1.038 167 R CA -1.962 54.153 56.100 0.025 0.000 0.886 167 R CB 0.707 31.013 30.300 0.010 0.000 1.249 167 R HN 0.014 nan 8.270 nan 0.000 0.463 168 P HA 0.057 nan 4.420 nan 0.000 0.269 168 P C -0.533 176.789 177.300 0.037 0.000 1.215 168 P CA -0.161 62.969 63.100 0.050 0.000 0.780 168 P CB 0.509 32.254 31.700 0.075 0.000 0.898 169 L N 2.122 123.371 121.223 0.043 0.000 2.399 169 L HA 0.368 4.708 4.340 -0.000 0.000 0.266 169 L C 0.283 177.197 176.870 0.075 0.000 1.114 169 L CA -0.569 54.283 54.840 0.021 0.000 0.804 169 L CB 0.254 42.343 42.059 0.050 0.000 1.146 169 L HN 0.180 nan 8.230 nan 0.000 0.451 170 L N 1.159 122.407 121.223 0.042 0.000 2.329 170 L HA 0.727 5.067 4.340 -0.000 0.000 0.279 170 L C 0.200 177.145 176.870 0.125 0.000 1.014 170 L CA -0.328 54.581 54.840 0.114 0.000 0.814 170 L CB 1.796 43.892 42.059 0.063 0.000 1.257 170 L HN 0.700 nan 8.230 nan 0.000 0.424 171 G N 0.841 109.749 108.800 0.181 0.000 2.725 171 G HA2 0.609 4.569 3.960 -0.000 0.000 0.288 171 G HA3 0.609 4.569 3.960 -0.000 0.000 0.288 171 G C -1.996 172.960 174.900 0.094 0.000 1.399 171 G CA -0.480 44.692 45.100 0.119 0.000 0.859 171 G HN 0.700 nan 8.290 nan 0.000 0.479 172 C N 0.111 119.413 119.300 0.003 0.000 2.871 172 C HA 0.710 5.170 4.460 -0.000 0.000 0.378 172 C C -0.162 174.810 174.990 -0.031 0.000 1.052 172 C CA -0.420 58.610 59.018 0.021 0.000 1.250 172 C CB 0.499 28.272 27.740 0.056 0.000 1.689 172 C HN 0.802 nan 8.230 nan 0.000 0.506 173 T N 5.340 119.885 114.554 -0.014 0.000 2.794 173 T HA 0.324 4.674 4.350 -0.000 0.000 0.296 173 T C 0.601 175.315 174.700 0.024 0.000 0.949 173 T CA 0.505 62.611 62.100 0.010 0.000 1.101 173 T CB 0.797 69.698 68.868 0.055 0.000 0.905 173 T HN 0.877 nan 8.240 nan 0.000 0.516 174 T N 5.761 120.330 114.554 0.025 0.000 2.946 174 T HA 0.119 4.469 4.350 -0.000 0.000 0.312 174 T C 0.285 174.975 174.700 -0.016 0.000 1.066 174 T CA 0.027 62.085 62.100 -0.070 0.000 1.138 174 T CB 0.172 68.847 68.868 -0.322 0.000 1.014 174 T HN 0.304 nan 8.240 nan 0.000 0.544 175 K N 3.077 123.454 120.400 -0.039 0.000 2.464 175 K HA 0.436 4.756 4.320 -0.000 0.000 0.253 175 K C -2.420 174.173 176.600 -0.012 0.000 0.933 175 K CA -2.078 54.210 56.287 0.002 0.000 0.801 175 K CB 1.672 34.185 32.500 0.022 0.000 1.271 175 K HN 0.372 nan 8.250 nan 0.000 0.430 176 P HA 0.161 nan 4.420 nan 0.000 0.270 176 P C 0.249 177.574 177.300 0.041 0.000 1.223 176 P CA -0.222 62.886 63.100 0.013 0.000 0.785 176 P CB 1.037 32.731 31.700 -0.011 0.000 0.923 177 K N 0.041 120.468 120.400 0.045 0.000 2.044 177 K HA -0.082 4.238 4.320 -0.000 0.000 0.210 177 K C 0.909 177.575 176.600 0.109 0.000 1.049 177 K CA 1.274 57.611 56.287 0.084 0.000 0.927 177 K CB -0.308 32.228 32.500 0.060 0.000 0.713 177 K HN 0.402 nan 8.250 nan 0.000 0.443 178 L N -2.554 118.665 121.223 -0.007 0.000 2.256 178 L HA 0.427 4.766 4.340 -0.000 0.000 0.261 178 L C 1.013 177.626 176.870 -0.428 0.000 1.022 178 L CA -0.355 54.375 54.840 -0.184 0.000 0.828 178 L CB 1.995 43.907 42.059 -0.245 0.000 1.374 178 L HN 0.433 nan 8.230 nan 0.000 0.436 179 G N 0.296 108.437 108.800 -1.098 0.000 2.279 179 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.223 179 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.223 179 G C 0.024 174.841 174.900 -0.138 0.000 1.015 179 G CA -0.389 44.302 45.100 -0.682 0.000 0.621 179 G HN 0.317 nan 8.290 nan 0.000 0.506 180 L N 2.450 123.724 121.223 0.086 0.000 2.426 180 L HA 0.484 4.824 4.340 -0.000 0.000 0.271 180 L C 1.594 178.680 176.870 0.361 0.000 1.169 180 L CA 0.263 55.250 54.840 0.245 0.000 0.836 180 L CB 1.193 43.450 42.059 0.330 0.000 1.112 180 L HN 0.563 nan 8.230 nan 0.000 0.465 181 S N 1.518 117.358 115.700 0.234 0.000 2.661 181 S HA 0.265 4.735 4.470 -0.000 0.000 0.265 181 S C 1.137 175.827 174.600 0.149 0.000 1.225 181 S CA -0.203 58.101 58.200 0.174 0.000 0.986 181 S CB 1.400 64.643 63.200 0.072 0.000 1.008 181 S HN 0.743 nan 8.310 nan 0.000 0.565 182 G N 0.527 109.364 108.800 0.061 0.000 2.408 182 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.217 182 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.217 182 G C 1.352 176.107 174.900 -0.241 0.000 1.150 182 G CA 0.917 46.050 45.100 0.055 0.000 0.776 182 G HN 0.711 nan 8.290 nan 0.000 0.542 183 K N 1.347 121.414 120.400 -0.555 0.000 1.984 183 K HA -0.031 4.289 4.320 -0.000 0.000 0.209 183 K C 2.236 178.644 176.600 -0.320 0.000 1.046 183 K CA 1.435 57.215 56.287 -0.845 0.000 0.934 183 K CB -0.427 31.714 32.500 -0.600 0.000 0.717 183 K HN 0.162 nan 8.250 nan 0.000 0.438 184 N N -0.412 118.210 118.700 -0.130 0.000 2.289 184 N HA -0.168 4.572 4.740 -0.000 0.000 0.184 184 N C 1.680 177.201 175.510 0.019 0.000 1.016 184 N CA 0.988 54.017 53.050 -0.034 0.000 0.872 184 N CB -0.355 38.134 38.487 0.003 0.000 0.973 184 N HN 0.251 nan 8.380 nan 0.000 0.433 185 Y N 1.562 121.841 120.300 -0.036 0.000 2.114 185 Y HA -0.111 4.439 4.550 -0.000 0.000 0.284 185 Y C 2.540 178.435 175.900 -0.008 0.000 1.143 185 Y CA 1.843 59.951 58.100 0.014 0.000 1.135 185 Y CB -0.670 37.827 38.460 0.061 0.000 0.980 185 Y HN 0.064 nan 8.280 nan 0.000 0.499 186 G N -0.319 108.574 108.800 0.155 0.000 2.422 186 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.218 186 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.218 186 G C 1.854 176.801 174.900 0.079 0.000 1.146 186 G CA 0.659 45.827 45.100 0.112 0.000 0.769 186 G HN 0.158 nan 8.290 nan 0.000 0.547 187 R N 0.289 120.814 120.500 0.042 0.000 2.091 187 R HA -0.052 4.288 4.340 -0.000 0.000 0.238 187 R C 2.697 179.037 176.300 0.067 0.000 1.136 187 R CA 1.274 57.416 56.100 0.069 0.000 0.959 187 R CB -0.883 29.430 30.300 0.023 0.000 0.856 187 R HN 0.324 nan 8.270 nan 0.000 0.437 188 V N 0.196 120.102 119.914 -0.013 0.000 2.358 188 V HA -0.186 3.933 4.120 -0.000 0.000 0.246 188 V C 2.546 178.617 176.094 -0.037 0.000 1.047 188 V CA 1.391 63.657 62.300 -0.057 0.000 1.035 188 V CB -0.358 31.367 31.823 -0.163 0.000 0.658 188 V HN 0.062 nan 8.190 nan 0.000 0.452 189 V N -0.763 119.132 119.914 -0.032 0.000 2.343 189 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 189 V C 2.226 178.366 176.094 0.078 0.000 1.051 189 V CA 2.474 64.774 62.300 -0.000 0.000 1.036 189 V CB -0.771 31.003 31.823 -0.081 0.000 0.654 189 V HN 0.662 nan 8.190 nan 0.000 0.451 190 Y N 1.443 121.734 120.300 -0.015 0.000 2.114 190 Y HA -0.207 4.343 4.550 -0.000 0.000 0.284 190 Y C 2.615 178.511 175.900 -0.006 0.000 1.143 190 Y CA 1.882 59.982 58.100 -0.000 0.000 1.135 190 Y CB -0.370 38.095 38.460 0.008 0.000 0.980 190 Y HN 0.275 nan 8.280 nan 0.000 0.499 191 E N 0.471 120.563 120.200 -0.180 0.000 2.038 191 E HA -0.240 4.110 4.350 -0.000 0.000 0.195 191 E C 2.458 178.938 176.600 -0.200 0.000 1.000 191 E CA 1.383 57.625 56.400 -0.262 0.000 0.803 191 E CB -1.004 28.631 29.700 -0.110 0.000 0.750 191 E HN 0.556 nan 8.360 nan 0.000 0.448 192 A N 1.144 123.902 122.820 -0.104 0.000 1.902 192 A HA -0.131 4.188 4.320 -0.000 0.000 0.217 192 A C 2.433 179.974 177.584 -0.072 0.000 1.181 192 A CA 1.145 53.141 52.037 -0.069 0.000 0.623 192 A CB -0.662 18.325 19.000 -0.022 0.000 0.818 192 A HN 0.158 nan 8.150 nan 0.000 0.443 193 L N -0.783 120.402 121.223 -0.062 0.000 2.023 193 L HA -0.148 4.192 4.340 -0.000 0.000 0.205 193 L C 2.644 179.454 176.870 -0.100 0.000 1.073 193 L CA 1.823 56.637 54.840 -0.044 0.000 0.745 193 L CB -0.414 41.658 42.059 0.023 0.000 0.900 193 L HN 0.444 nan 8.230 nan 0.000 0.435 194 K N 0.332 120.613 120.400 -0.197 0.000 2.152 194 K HA -0.164 4.156 4.320 -0.000 0.000 0.206 194 K C 1.917 178.412 176.600 -0.174 0.000 1.048 194 K CA 1.399 57.550 56.287 -0.227 0.000 0.933 194 K CB -0.230 31.985 32.500 -0.476 0.000 0.721 194 K HN 0.364 nan 8.250 nan 0.000 0.447 195 G N -0.532 108.165 108.800 -0.172 0.000 2.422 195 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.218 195 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.218 195 G C 0.981 175.818 174.900 -0.106 0.000 1.140 195 G CA 0.926 45.944 45.100 -0.137 0.000 0.775 195 G HN 0.544 nan 8.290 nan 0.000 0.545 196 G N -1.338 107.405 108.800 -0.094 0.000 3.288 196 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.219 196 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.219 196 G C 0.149 175.003 174.900 -0.077 0.000 0.944 196 G CA -0.405 44.645 45.100 -0.082 0.000 0.854 196 G HN 0.296 nan 8.290 nan 0.000 0.632 197 L N 1.421 122.604 121.223 -0.066 0.000 2.371 197 L HA 0.385 4.725 4.340 -0.000 0.000 0.272 197 L C 0.862 177.683 176.870 -0.082 0.000 1.124 197 L CA -0.795 54.016 54.840 -0.049 0.000 0.816 197 L CB 0.895 42.949 42.059 -0.009 0.000 1.129 197 L HN -0.027 nan 8.230 nan 0.000 0.448 198 D N 1.645 121.959 120.400 -0.143 0.000 2.194 198 D HA 0.035 4.675 4.640 -0.000 0.000 0.204 198 D C -0.068 175.969 176.300 -0.437 0.000 0.964 198 D CA 1.506 55.294 54.000 -0.354 0.000 0.846 198 D CB 0.330 40.819 40.800 -0.519 0.000 0.962 198 D HN 0.128 nan 8.370 nan 0.000 0.490 199 F N -0.705 119.252 119.950 0.012 0.000 2.650 199 F HA 0.476 5.003 4.527 -0.000 0.000 0.320 199 F C -0.072 175.662 175.800 -0.111 0.000 1.091 199 F CA -1.170 56.807 58.000 -0.038 0.000 0.962 199 F CB 1.696 40.641 39.000 -0.092 0.000 1.363 199 F HN -0.449 nan 8.300 nan 0.000 0.482 200 V N 0.772 120.740 119.914 0.091 0.000 3.087 200 V HA 0.662 4.782 4.120 -0.000 0.000 0.306 200 V C -1.228 174.701 176.094 -0.274 0.000 1.187 200 V CA -1.201 61.132 62.300 0.055 0.000 0.999 200 V CB 2.723 34.729 31.823 0.306 0.000 1.049 200 V HN 0.782 nan 8.190 nan 0.000 0.431 201 K N 0.211 120.437 120.400 -0.290 0.000 2.556 201 K HA 0.648 4.968 4.320 -0.000 0.000 0.274 201 K C -1.715 174.874 176.600 -0.019 0.000 0.966 201 K CA -1.006 54.979 56.287 -0.504 0.000 0.865 201 K CB 2.281 34.399 32.500 -0.637 0.000 1.444 201 K HN 0.422 nan 8.250 nan 0.000 0.433 202 D N 1.057 121.479 120.400 0.037 0.000 2.344 202 D HA 0.099 4.739 4.640 -0.000 0.000 0.244 202 D C -0.574 175.846 176.300 0.200 0.000 1.134 202 D CA 0.212 54.381 54.000 0.282 0.000 0.930 202 D CB 0.921 41.836 40.800 0.193 0.000 1.175 202 D HN 0.451 nan 8.370 nan 0.000 0.437 203 D N 0.319 120.851 120.400 0.220 0.000 2.329 203 D HA -0.044 4.596 4.640 -0.000 0.000 0.246 203 D C 1.426 177.759 176.300 0.055 0.000 1.111 203 D CA -0.315 53.773 54.000 0.147 0.000 0.941 203 D CB 0.905 41.791 40.800 0.144 0.000 1.169 203 D HN 0.327 nan 8.370 nan 0.000 0.441 204 E N 1.973 122.117 120.200 -0.094 0.000 2.130 204 E HA -0.279 4.071 4.350 -0.000 0.000 0.196 204 E C 0.633 177.149 176.600 -0.140 0.000 0.998 204 E CA 1.308 57.518 56.400 -0.317 0.000 0.806 204 E CB -0.508 28.619 29.700 -0.955 0.000 0.738 204 E HN 0.529 nan 8.360 nan 0.000 0.459 205 N N 0.868 119.537 118.700 -0.052 0.000 2.322 205 N HA 0.015 4.755 4.740 -0.000 0.000 0.194 205 N C 0.146 175.707 175.510 0.085 0.000 1.126 205 N CA -0.082 52.974 53.050 0.011 0.000 0.845 205 N CB 0.086 38.590 38.487 0.029 0.000 0.976 205 N HN 0.094 nan 8.380 nan 0.000 0.475 206 I N 1.787 122.418 120.570 0.103 0.000 2.281 206 I HA 0.205 4.375 4.170 -0.000 0.000 0.293 206 I C 0.157 176.322 176.117 0.080 0.000 1.085 206 I CA -0.088 61.300 61.300 0.147 0.000 1.257 206 I CB -0.134 37.982 38.000 0.194 0.000 1.430 206 I HN 0.160 nan 8.210 nan 0.000 0.489 207 N N 3.355 122.082 118.700 0.045 0.000 3.039 207 N HA 0.173 4.913 4.740 -0.000 0.000 0.188 207 N C -0.276 175.250 175.510 0.026 0.000 1.310 207 N CA -0.332 52.727 53.050 0.014 0.000 1.111 207 N CB 0.559 39.025 38.487 -0.035 0.000 1.311 207 N HN 0.373 nan 8.380 nan 0.000 0.490 208 S N 0.304 115.988 115.700 -0.026 0.000 2.750 208 S HA 0.421 4.891 4.470 -0.000 0.000 0.276 208 S C -1.765 172.754 174.600 -0.134 0.000 1.165 208 S CA -0.425 57.768 58.200 -0.011 0.000 1.047 208 S CB 0.929 64.220 63.200 0.152 0.000 1.056 208 S HN 0.259 nan 8.310 nan 0.000 0.481 209 Q N 3.354 122.951 119.800 -0.338 0.000 2.605 209 Q HA 0.516 4.856 4.340 -0.000 0.000 0.296 209 Q C -2.122 173.640 176.000 -0.396 0.000 1.056 209 Q CA -1.824 53.739 55.803 -0.399 0.000 0.778 209 Q CB 1.183 29.569 28.738 -0.587 0.000 1.497 209 Q HN 0.252 nan 8.270 nan 0.000 0.443 210 P HA -0.165 nan 4.420 nan 0.000 0.217 210 P C 0.490 177.770 177.300 -0.033 0.000 1.148 210 P CA 1.310 64.370 63.100 -0.067 0.000 0.828 210 P CB 0.066 31.790 31.700 0.040 0.000 0.783 211 F N -2.496 117.473 119.950 0.032 0.000 2.710 211 F HA 0.326 4.853 4.527 -0.000 0.000 0.298 211 F C 0.856 176.679 175.800 0.037 0.000 1.137 211 F CA -0.049 57.972 58.000 0.035 0.000 1.444 211 F CB -0.449 38.576 39.000 0.042 0.000 1.111 211 F HN -0.181 nan 8.300 nan 0.000 0.580 212 M N 1.119 120.493 119.600 -0.377 0.000 2.362 212 M HA 0.302 4.782 4.480 -0.000 0.000 0.242 212 M C -1.543 174.600 176.300 -0.261 0.000 0.995 212 M CA -0.540 54.639 55.300 -0.203 0.000 0.904 212 M CB 1.055 33.634 32.600 -0.036 0.000 2.202 212 M HN -0.170 nan 8.290 nan 0.000 0.464 213 R N 3.330 123.747 120.500 -0.139 0.000 2.543 213 R HA 0.340 4.680 4.340 -0.000 0.000 0.268 213 R C 1.050 177.313 176.300 -0.062 0.000 1.067 213 R CA -0.157 55.878 56.100 -0.109 0.000 1.142 213 R CB 0.390 30.601 30.300 -0.148 0.000 1.110 213 R HN 0.961 nan 8.270 nan 0.000 0.549 214 W N 2.668 123.884 121.300 -0.140 0.000 2.363 214 W HA -0.123 4.537 4.660 -0.000 0.000 0.296 214 W C 1.058 177.490 176.519 -0.144 0.000 1.212 214 W CA 0.602 57.872 57.345 -0.126 0.000 1.260 214 W CB -0.624 28.706 29.460 -0.217 0.000 1.131 214 W HN 0.455 nan 8.180 nan 0.000 0.530 215 R N 1.120 120.998 120.500 -1.036 0.000 2.091 215 R HA -0.167 4.173 4.340 -0.000 0.000 0.238 215 R C 2.114 178.323 176.300 -0.151 0.000 1.136 215 R CA 2.351 57.957 56.100 -0.824 0.000 0.959 215 R CB -0.412 29.215 30.300 -1.122 0.000 0.856 215 R HN 0.206 nan 8.270 nan 0.000 0.437 216 E N 0.312 120.460 120.200 -0.087 0.000 2.051 216 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 216 E C 1.977 178.757 176.600 0.299 0.000 0.991 216 E CA 1.076 57.557 56.400 0.136 0.000 0.799 216 E CB -0.163 29.656 29.700 0.198 0.000 0.748 216 E HN 0.205 nan 8.360 nan 0.000 0.449 217 R N -0.384 120.263 120.500 0.245 0.000 2.096 217 R HA -0.213 4.127 4.340 -0.000 0.000 0.240 217 R C 1.979 178.503 176.300 0.374 0.000 1.139 217 R CA 1.526 57.787 56.100 0.267 0.000 0.952 217 R CB -0.292 30.093 30.300 0.141 0.000 0.854 217 R HN 0.206 nan 8.270 nan 0.000 0.436 218 Y N 0.393 120.800 120.300 0.178 0.000 2.097 218 Y HA -0.243 4.307 4.550 -0.000 0.000 0.282 218 Y C 2.218 178.150 175.900 0.054 0.000 1.152 218 Y CA 0.916 59.114 58.100 0.164 0.000 1.136 218 Y CB -0.597 38.024 38.460 0.269 0.000 0.975 218 Y HN 0.077 nan 8.280 nan 0.000 0.498 219 L N -1.287 120.062 121.223 0.210 0.000 1.989 219 L HA -0.251 4.089 4.340 -0.000 0.000 0.211 219 L C 2.355 179.192 176.870 -0.055 0.000 1.071 219 L CA 1.895 56.728 54.840 -0.012 0.000 0.749 219 L CB -1.716 40.263 42.059 -0.134 0.000 0.890 219 L HN 0.201 nan 8.230 nan 0.000 0.431 220 F N -0.139 119.854 119.950 0.071 0.000 2.146 220 F HA -0.193 4.334 4.527 -0.000 0.000 0.298 220 F C 2.614 178.436 175.800 0.036 0.000 1.096 220 F CA 1.538 59.567 58.000 0.049 0.000 1.275 220 F CB -0.702 38.337 39.000 0.065 0.000 1.008 220 F HN 0.057 nan 8.300 nan 0.000 0.480 221 T N 0.058 114.752 114.554 0.233 0.000 2.759 221 T HA -0.198 4.152 4.350 -0.000 0.000 0.269 221 T C 2.030 176.764 174.700 0.056 0.000 1.042 221 T CA 1.176 63.325 62.100 0.083 0.000 1.140 221 T CB -0.151 68.710 68.868 -0.011 0.000 0.864 221 T HN 0.044 nan 8.240 nan 0.000 0.455 222 M N 0.812 120.446 119.600 0.055 0.000 2.229 222 M HA 0.009 4.489 4.480 -0.000 0.000 0.264 222 M C 2.264 178.580 176.300 0.028 0.000 1.063 222 M CA 1.190 56.509 55.300 0.032 0.000 1.114 222 M CB -0.968 31.625 32.600 -0.010 0.000 1.387 222 M HN 0.247 nan 8.290 nan 0.000 0.420 223 E N 0.800 121.015 120.200 0.025 0.000 2.106 223 E HA -0.077 4.273 4.350 -0.000 0.000 0.192 223 E C 1.881 178.487 176.600 0.010 0.000 0.984 223 E CA 1.821 58.224 56.400 0.006 0.000 0.806 223 E CB -0.171 29.534 29.700 0.009 0.000 0.750 223 E HN 0.350 nan 8.360 nan 0.000 0.458 224 A N 0.126 122.975 122.820 0.049 0.000 1.930 224 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 224 A C 2.453 180.122 177.584 0.141 0.000 1.175 224 A CA 1.449 53.536 52.037 0.083 0.000 0.627 224 A CB -0.593 18.483 19.000 0.126 0.000 0.815 224 A HN 0.201 nan 8.150 nan 0.000 0.443 225 V N 0.992 120.970 119.914 0.107 0.000 2.358 225 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 225 V C 2.190 178.346 176.094 0.103 0.000 1.047 225 V CA 1.984 64.356 62.300 0.120 0.000 1.035 225 V CB -0.861 31.035 31.823 0.121 0.000 0.658 225 V HN 0.559 nan 8.190 nan 0.000 0.452 226 N N 0.076 118.818 118.700 0.070 0.000 2.270 226 N HA -0.104 4.636 4.740 -0.000 0.000 0.181 226 N C 1.837 177.382 175.510 0.058 0.000 1.016 226 N CA 0.980 54.061 53.050 0.053 0.000 0.870 226 N CB -0.109 38.394 38.487 0.026 0.000 0.979 226 N HN 0.524 nan 8.380 nan 0.000 0.431 227 K N 1.025 121.460 120.400 0.058 0.000 2.057 227 K HA 0.041 4.361 4.320 -0.000 0.000 0.206 227 K C 2.084 178.817 176.600 0.222 0.000 1.050 227 K CA 0.913 57.239 56.287 0.064 0.000 0.935 227 K CB -0.081 32.329 32.500 -0.151 0.000 0.715 227 K HN 0.066 nan 8.250 nan 0.000 0.439 228 A N 1.077 124.068 122.820 0.284 0.000 1.940 228 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 228 A C 2.264 179.914 177.584 0.110 0.000 1.176 228 A CA 2.121 54.288 52.037 0.217 0.000 0.631 228 A CB -0.638 18.458 19.000 0.160 0.000 0.814 228 A HN 0.283 nan 8.150 nan 0.000 0.446 229 S N -0.436 115.319 115.700 0.092 0.000 2.345 229 S HA -0.028 4.442 4.470 -0.000 0.000 0.220 229 S C 2.208 176.839 174.600 0.052 0.000 1.031 229 S CA 1.542 59.776 58.200 0.057 0.000 0.996 229 S CB -0.513 62.718 63.200 0.052 0.000 0.882 229 S HN 0.857 nan 8.310 nan 0.000 0.445 230 A N 0.786 123.643 122.820 0.061 0.000 2.024 230 A HA 0.216 4.536 4.320 -0.000 0.000 0.220 230 A C 2.115 179.734 177.584 0.057 0.000 1.164 230 A CA 1.725 53.792 52.037 0.051 0.000 0.643 230 A CB -0.886 18.142 19.000 0.047 0.000 0.806 230 A HN 0.768 nan 8.150 nan 0.000 0.451 231 A N -1.136 121.733 122.820 0.082 0.000 2.307 231 A HA 0.325 4.644 4.320 -0.000 0.000 0.218 231 A C 1.658 179.262 177.584 0.033 0.000 1.228 231 A CA 1.501 53.582 52.037 0.074 0.000 0.857 231 A CB -0.396 18.683 19.000 0.132 0.000 0.897 231 A HN 0.744 nan 8.150 nan 0.000 0.495 232 T N -7.079 107.490 114.554 0.025 0.000 3.051 232 T HA 0.402 4.752 4.350 -0.000 0.000 0.254 232 T C 1.387 176.088 174.700 0.002 0.000 0.916 232 T CA 1.030 63.132 62.100 0.003 0.000 0.894 232 T CB -0.002 68.860 68.868 -0.010 0.000 1.251 232 T HN 1.605 nan 8.240 nan 0.000 0.517 233 G N 1.497 110.304 108.800 0.011 0.000 2.143 233 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.249 233 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.249 233 G C -0.308 174.594 174.900 0.003 0.000 0.981 233 G CA 0.271 45.377 45.100 0.009 0.000 0.665 233 G HN 0.720 nan 8.290 nan 0.000 0.528 234 E N -0.771 119.427 120.200 -0.003 0.000 2.235 234 E HA 0.572 4.922 4.350 -0.000 0.000 0.265 234 E C -0.085 176.509 176.600 -0.010 0.000 0.940 234 E CA -1.072 55.318 56.400 -0.018 0.000 0.819 234 E CB 2.484 32.159 29.700 -0.042 0.000 1.206 234 E HN 0.058 nan 8.360 nan 0.000 0.409 235 V N 3.330 123.232 119.914 -0.021 0.000 2.455 235 V HA 0.111 4.231 4.120 -0.000 0.000 0.273 235 V C 0.211 176.295 176.094 -0.017 0.000 1.045 235 V CA 0.009 62.308 62.300 -0.002 0.000 0.976 235 V CB 0.319 32.141 31.823 -0.001 0.000 0.993 235 V HN 0.485 nan 8.190 nan 0.000 0.475 236 K N 2.935 123.353 120.400 0.029 0.000 2.258 236 K HA 0.875 5.195 4.320 -0.000 0.000 0.236 236 K C 0.048 176.745 176.600 0.161 0.000 1.008 236 K CA -0.521 55.794 56.287 0.045 0.000 0.869 236 K CB 2.331 34.868 32.500 0.062 0.000 1.171 236 K HN 0.845 nan 8.250 nan 0.000 0.447 237 G N 0.060 109.033 108.800 0.289 0.000 2.703 237 G HA2 0.391 4.351 3.960 -0.000 0.000 0.294 237 G HA3 0.391 4.351 3.960 -0.000 0.000 0.294 237 G C -2.134 173.080 174.900 0.523 0.000 1.451 237 G CA -0.437 44.934 45.100 0.452 0.000 0.869 237 G HN 0.578 nan 8.290 nan 0.000 0.516 238 H N 0.314 119.538 119.070 0.256 0.000 2.609 238 H HA 0.562 5.118 4.556 -0.000 0.000 0.344 238 H C -0.988 174.453 175.328 0.188 0.000 1.040 238 H CA -0.825 55.330 56.048 0.179 0.000 1.216 238 H CB 0.994 30.836 29.762 0.134 0.000 1.529 238 H HN 0.361 nan 8.280 nan 0.000 0.519 239 Y N 5.699 125.671 120.300 -0.547 0.000 2.683 239 Y HA 0.064 4.614 4.550 -0.000 0.000 0.355 239 Y C 0.186 175.846 175.900 -0.399 0.000 1.199 239 Y CA -0.351 57.482 58.100 -0.445 0.000 1.654 239 Y CB -0.903 37.297 38.460 -0.434 0.000 1.361 239 Y HN 0.456 nan 8.280 nan 0.000 0.493 240 L N 3.655 124.816 121.223 -0.104 0.000 2.361 240 L HA 0.141 4.481 4.340 -0.000 0.000 0.278 240 L C 0.776 177.595 176.870 -0.085 0.000 1.113 240 L CA 0.093 54.824 54.840 -0.183 0.000 0.849 240 L CB 0.322 42.061 42.059 -0.533 0.000 1.155 240 L HN 0.547 nan 8.230 nan 0.000 0.452 241 N N 2.196 120.909 118.700 0.021 0.000 2.411 241 N HA 0.147 4.887 4.740 -0.000 0.000 0.259 241 N C 0.718 176.278 175.510 0.083 0.000 1.103 241 N CA -0.440 52.640 53.050 0.050 0.000 0.954 241 N CB 1.061 39.586 38.487 0.063 0.000 1.085 241 N HN 0.519 nan 8.380 nan 0.000 0.485 242 V N 0.560 120.470 119.914 -0.007 0.000 3.542 242 V HA 0.178 4.298 4.120 -0.000 0.000 0.296 242 V C 0.735 176.717 176.094 -0.186 0.000 1.364 242 V CA -0.245 61.999 62.300 -0.093 0.000 1.118 242 V CB -0.244 31.485 31.823 -0.157 0.000 0.972 242 V HN 0.421 nan 8.190 nan 0.000 0.430 243 T N 2.946 117.421 114.554 -0.131 0.000 2.933 243 T HA 0.537 4.887 4.350 -0.000 0.000 0.306 243 T C 0.187 174.781 174.700 -0.176 0.000 1.045 243 T CA 1.193 63.208 62.100 -0.142 0.000 1.143 243 T CB 0.645 69.454 68.868 -0.099 0.000 1.003 243 T HN 1.152 nan 8.240 nan 0.000 0.540 244 A N 1.721 124.431 122.820 -0.183 0.000 2.564 244 A HA 0.801 5.121 4.320 -0.000 0.000 0.291 244 A C 1.007 178.502 177.584 -0.149 0.000 1.102 244 A CA -0.162 51.763 52.037 -0.188 0.000 0.660 244 A CB 0.151 18.994 19.000 -0.262 0.000 1.283 244 A HN 0.782 nan 8.150 nan 0.000 0.430 245 A N -0.327 122.416 122.820 -0.128 0.000 1.873 245 A HA 0.341 4.661 4.320 -0.000 0.000 0.215 245 A C 1.370 178.893 177.584 -0.101 0.000 1.186 245 A CA 2.565 54.542 52.037 -0.099 0.000 0.616 245 A CB -0.839 18.114 19.000 -0.078 0.000 0.823 245 A HN 2.090 nan 8.150 nan 0.000 0.442 246 T N -5.606 108.881 114.554 -0.112 0.000 2.930 246 T HA 0.512 4.862 4.350 -0.000 0.000 0.290 246 T C 0.626 175.245 174.700 -0.136 0.000 1.052 246 T CA -0.080 61.959 62.100 -0.102 0.000 1.017 246 T CB 1.325 70.150 68.868 -0.072 0.000 1.137 246 T HN 0.013 nan 8.240 nan 0.000 0.511 247 M N 0.627 120.153 119.600 -0.125 0.000 2.159 247 M HA 0.038 4.518 4.480 -0.000 0.000 0.263 247 M C 1.846 178.075 176.300 -0.117 0.000 1.063 247 M CA 1.761 56.949 55.300 -0.186 0.000 1.110 247 M CB -1.006 31.512 32.600 -0.136 0.000 1.374 247 M HN 0.810 nan 8.290 nan 0.000 0.411 248 E N -0.263 119.934 120.200 -0.005 0.000 2.085 248 E HA -0.218 4.131 4.350 -0.000 0.000 0.194 248 E C 1.980 178.569 176.600 -0.017 0.000 0.994 248 E CA 1.477 57.913 56.400 0.061 0.000 0.801 248 E CB -0.292 29.426 29.700 0.030 0.000 0.743 248 E HN 0.503 nan 8.360 nan 0.000 0.453 249 E N -0.064 120.074 120.200 -0.103 0.000 2.107 249 E HA -0.053 4.297 4.350 -0.000 0.000 0.191 249 E C 1.812 178.233 176.600 -0.299 0.000 0.982 249 E CA 1.033 57.318 56.400 -0.192 0.000 0.809 249 E CB -0.049 29.532 29.700 -0.199 0.000 0.756 249 E HN 0.248 nan 8.360 nan 0.000 0.459 250 M N -0.876 118.550 119.600 -0.290 0.000 2.099 250 M HA -0.157 4.323 4.480 -0.000 0.000 0.262 250 M C 1.779 177.859 176.300 -0.367 0.000 1.067 250 M CA 1.265 56.346 55.300 -0.366 0.000 1.124 250 M CB -0.427 31.938 32.600 -0.392 0.000 1.353 250 M HN 0.165 nan 8.290 nan 0.000 0.410 251 Y N 0.529 120.641 120.300 -0.314 0.000 2.128 251 Y HA -0.209 4.341 4.550 -0.000 0.000 0.284 251 Y C 2.719 178.465 175.900 -0.257 0.000 1.154 251 Y CA 1.443 59.341 58.100 -0.337 0.000 1.149 251 Y CB -1.198 37.154 38.460 -0.179 0.000 0.976 251 Y HN 0.241 nan 8.280 nan 0.000 0.505 252 A N 0.128 122.935 122.820 -0.022 0.000 1.917 252 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 252 A C 2.344 179.889 177.584 -0.065 0.000 1.182 252 A CA 2.065 54.090 52.037 -0.020 0.000 0.633 252 A CB -0.560 18.412 19.000 -0.047 0.000 0.819 252 A HN 0.459 nan 8.150 nan 0.000 0.448 253 R N -0.822 119.456 120.500 -0.369 0.000 2.073 253 R HA 0.053 4.393 4.340 -0.000 0.000 0.229 253 R C 2.565 178.895 176.300 0.050 0.000 1.120 253 R CA 1.029 56.877 56.100 -0.420 0.000 0.967 253 R CB -0.477 29.364 30.300 -0.766 0.000 0.862 253 R HN 0.490 nan 8.270 nan 0.000 0.436 254 A N 1.736 124.434 122.820 -0.203 0.000 1.883 254 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 254 A C 1.760 179.340 177.584 -0.008 0.000 1.186 254 A CA 1.835 53.631 52.037 -0.402 0.000 0.624 254 A CB -0.781 17.434 19.000 -1.308 0.000 0.822 254 A HN 0.405 nan 8.150 nan 0.000 0.444 255 N N -1.707 117.070 118.700 0.129 0.000 2.166 255 N HA -0.125 4.615 4.740 -0.000 0.000 0.186 255 N C 1.507 177.285 175.510 0.447 0.000 1.019 255 N CA 1.280 54.575 53.050 0.408 0.000 0.856 255 N CB -0.226 38.454 38.487 0.323 0.000 0.993 255 N HN 0.479 nan 8.380 nan 0.000 0.426 256 F N 1.966 122.090 119.950 0.291 0.000 2.146 256 F HA 0.001 4.528 4.527 -0.000 0.000 0.298 256 F C 2.245 178.272 175.800 0.379 0.000 1.096 256 F CA 0.908 59.107 58.000 0.331 0.000 1.275 256 F CB -0.713 38.541 39.000 0.424 0.000 1.008 256 F HN -0.034 nan 8.300 nan 0.000 0.480 257 A N 0.425 123.531 122.820 0.477 0.000 1.908 257 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 257 A C 2.422 180.122 177.584 0.195 0.000 1.181 257 A CA 1.911 54.103 52.037 0.258 0.000 0.627 257 A CB -0.882 18.254 19.000 0.225 0.000 0.818 257 A HN 0.397 nan 8.150 nan 0.000 0.445 258 K N -0.129 120.464 120.400 0.323 0.000 2.002 258 K HA -0.225 4.095 4.320 -0.000 0.000 0.209 258 K C 2.035 178.731 176.600 0.159 0.000 1.048 258 K CA 1.887 58.345 56.287 0.284 0.000 0.930 258 K CB -0.315 32.435 32.500 0.416 0.000 0.714 258 K HN 0.620 nan 8.250 nan 0.000 0.438 259 E N 0.495 120.798 120.200 0.172 0.000 2.130 259 E HA -0.181 4.169 4.350 -0.000 0.000 0.196 259 E C 1.954 178.557 176.600 0.006 0.000 0.998 259 E CA 1.178 57.643 56.400 0.109 0.000 0.806 259 E CB -0.025 29.790 29.700 0.192 0.000 0.738 259 E HN 0.371 nan 8.360 nan 0.000 0.459 260 L N -1.128 120.044 121.223 -0.086 0.000 2.554 260 L HA 0.143 4.483 4.340 -0.000 0.000 0.226 260 L C 1.553 178.397 176.870 -0.043 0.000 1.137 260 L CA 0.514 55.275 54.840 -0.131 0.000 0.863 260 L CB 0.220 42.111 42.059 -0.280 0.000 0.985 260 L HN 0.424 nan 8.230 nan 0.000 0.451 261 G N -0.483 108.319 108.800 0.004 0.000 2.176 261 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.232 261 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.232 261 G C 0.412 175.338 174.900 0.043 0.000 0.986 261 G CA 0.264 45.379 45.100 0.024 0.000 0.643 261 G HN 0.283 nan 8.290 nan 0.000 0.522 262 S N -0.733 114.996 115.700 0.048 0.000 2.558 262 S HA 0.283 4.753 4.470 -0.000 0.000 0.291 262 S C 1.581 176.230 174.600 0.083 0.000 1.306 262 S CA 0.588 58.829 58.200 0.068 0.000 1.056 262 S CB 1.443 64.675 63.200 0.053 0.000 0.836 262 S HN 1.205 nan 8.310 nan 0.000 0.504 263 V N 5.777 125.752 119.914 0.102 0.000 3.235 263 V HA 0.449 4.569 4.120 -0.000 0.000 0.259 263 V C 0.516 176.656 176.094 0.077 0.000 1.133 263 V CA 0.884 63.245 62.300 0.103 0.000 1.128 263 V CB -0.538 31.375 31.823 0.151 0.000 0.757 263 V HN 0.756 nan 8.190 nan 0.000 0.469 264 I N -0.128 120.475 120.570 0.055 0.000 3.004 264 I HA 0.470 4.640 4.170 -0.000 0.000 0.305 264 I C -1.616 174.461 176.117 -0.067 0.000 1.312 264 I CA -1.027 60.240 61.300 -0.055 0.000 0.992 264 I CB 2.366 40.249 38.000 -0.195 0.000 1.282 264 I HN 0.156 nan 8.210 nan 0.000 0.449 265 I N 2.767 123.255 120.570 -0.137 0.000 3.195 265 I HA 0.628 4.798 4.170 -0.000 0.000 0.313 265 I C -1.431 174.575 176.117 -0.185 0.000 1.237 265 I CA -0.959 60.273 61.300 -0.114 0.000 0.963 265 I CB 2.306 40.288 38.000 -0.029 0.000 1.278 265 I HN 0.723 nan 8.210 nan 0.000 0.460 266 M N 3.456 122.990 119.600 -0.109 0.000 2.619 266 M HA 0.832 5.312 4.480 -0.000 0.000 0.297 266 M C -1.455 174.826 176.300 -0.032 0.000 1.229 266 M CA -0.773 54.500 55.300 -0.046 0.000 0.860 266 M CB 2.850 35.501 32.600 0.086 0.000 1.741 266 M HN 0.730 nan 8.290 nan 0.000 0.462 267 I N -1.507 119.047 120.570 -0.026 0.000 2.802 267 I HA 0.636 4.806 4.170 -0.000 0.000 0.298 267 I C -1.521 174.578 176.117 -0.031 0.000 1.176 267 I CA -0.857 60.411 61.300 -0.053 0.000 1.025 267 I CB 2.282 40.232 38.000 -0.083 0.000 1.243 267 I HN 0.597 nan 8.210 nan 0.000 0.424 271 V N 2.439 122.347 119.914 -0.010 0.000 3.330 271 V HA -0.122 3.998 4.120 -0.000 0.000 0.273 271 V C 2.147 178.201 176.094 -0.068 0.000 1.179 271 V CA 1.924 64.202 62.300 -0.036 0.000 1.174 271 V CB -0.597 31.205 31.823 -0.035 0.000 0.794 271 V HN 0.517 nan 8.190 nan 0.000 0.527 272 I N -1.541 118.986 120.570 -0.073 0.000 2.876 272 I HA 0.477 4.647 4.170 -0.000 0.000 0.264 272 I C 1.009 177.060 176.117 -0.110 0.000 1.204 272 I CA 0.763 62.008 61.300 -0.092 0.000 1.485 272 I CB -0.529 37.412 38.000 -0.098 0.000 1.103 272 I HN 0.295 nan 8.210 nan 0.000 0.446 273 G N 0.243 108.963 108.800 -0.133 0.000 2.650 273 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.686 273 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.686 273 G C -0.327 174.508 174.900 -0.109 0.000 1.205 273 G CA -0.188 44.776 45.100 -0.226 0.000 0.781 273 G HN 0.119 nan 8.290 nan 0.000 0.648 274 Y N 0.631 120.912 120.300 -0.030 0.000 2.151 274 Y HA -0.123 4.427 4.550 -0.000 0.000 0.284 274 Y C 3.316 179.194 175.900 -0.037 0.000 1.166 274 Y CA 2.358 60.438 58.100 -0.034 0.000 1.163 274 Y CB -1.233 37.188 38.460 -0.065 0.000 0.974 274 Y HN 0.643 nan 8.280 nan 0.000 0.511 275 T N 0.094 114.705 114.554 0.096 0.000 2.737 275 T HA -0.158 4.192 4.350 -0.000 0.000 0.265 275 T C 2.276 176.974 174.700 -0.004 0.000 1.038 275 T CA 1.478 63.600 62.100 0.036 0.000 1.144 275 T CB -0.697 68.175 68.868 0.007 0.000 0.866 275 T HN 0.428 nan 8.240 nan 0.000 0.434 276 A N 1.151 123.948 122.820 -0.039 0.000 1.908 276 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 276 A C 2.277 179.816 177.584 -0.075 0.000 1.181 276 A CA 1.425 53.407 52.037 -0.091 0.000 0.627 276 A CB -0.858 18.075 19.000 -0.112 0.000 0.818 276 A HN 0.537 nan 8.150 nan 0.000 0.445 277 I N -0.712 119.848 120.570 -0.016 0.000 2.142 277 I HA -0.319 3.851 4.170 -0.000 0.000 0.240 277 I C 2.826 178.954 176.117 0.019 0.000 1.078 277 I CA 1.633 62.937 61.300 0.008 0.000 1.343 277 I CB -0.506 37.537 38.000 0.071 0.000 1.046 277 I HN 0.423 nan 8.210 nan 0.000 0.405 278 Q N 0.063 119.889 119.800 0.042 0.000 2.135 278 Q HA -0.189 4.151 4.340 -0.000 0.000 0.204 278 Q C 2.250 178.273 176.000 0.038 0.000 0.981 278 Q CA 2.093 57.923 55.803 0.044 0.000 0.856 278 Q CB -0.290 28.476 28.738 0.046 0.000 0.902 278 Q HN 0.529 nan 8.270 nan 0.000 0.425 279 T N 0.734 115.296 114.554 0.013 0.000 2.788 279 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 279 T C 1.747 176.476 174.700 0.049 0.000 1.044 279 T CA 0.962 63.074 62.100 0.021 0.000 1.139 279 T CB -0.013 68.817 68.868 -0.064 0.000 0.867 279 T HN 0.159 nan 8.240 nan 0.000 0.454 280 M N 1.009 120.600 119.600 -0.015 0.000 2.200 280 M HA 0.172 4.652 4.480 -0.000 0.000 0.265 280 M C 2.790 179.187 176.300 0.160 0.000 1.066 280 M CA 0.879 56.198 55.300 0.031 0.000 1.127 280 M CB -1.522 31.035 32.600 -0.071 0.000 1.379 280 M HN 0.298 nan 8.290 nan 0.000 0.420 281 A N 0.379 123.255 122.820 0.093 0.000 1.883 281 A HA -0.231 4.088 4.320 -0.000 0.000 0.217 281 A C 2.343 179.992 177.584 0.107 0.000 1.186 281 A CA 2.203 54.290 52.037 0.084 0.000 0.624 281 A CB -0.692 18.338 19.000 0.050 0.000 0.822 281 A HN 0.497 nan 8.150 nan 0.000 0.444 282 K N -1.781 118.689 120.400 0.117 0.000 2.026 282 K HA -0.225 4.095 4.320 -0.000 0.000 0.208 282 K C 1.883 178.566 176.600 0.138 0.000 1.048 282 K CA 1.654 58.002 56.287 0.103 0.000 0.929 282 K CB -0.376 32.184 32.500 0.099 0.000 0.713 282 K HN 0.623 nan 8.250 nan 0.000 0.439 283 W N 1.191 122.533 121.300 0.070 0.000 2.325 283 W HA -0.263 4.397 4.660 -0.000 0.000 0.299 283 W C 1.848 178.400 176.519 0.054 0.000 1.215 283 W CA 2.426 59.834 57.345 0.104 0.000 1.244 283 W CB -0.264 29.312 29.460 0.193 0.000 1.140 283 W HN 0.225 nan 8.180 nan 0.000 0.523 284 A N 0.434 123.402 122.820 0.247 0.000 1.872 284 A HA -0.157 4.163 4.320 -0.000 0.000 0.214 284 A C 1.931 179.449 177.584 -0.109 0.000 1.187 284 A CA 1.876 53.948 52.037 0.059 0.000 0.614 284 A CB -0.914 18.186 19.000 0.166 0.000 0.826 284 A HN 0.279 nan 8.150 nan 0.000 0.442 285 R N 0.643 121.113 120.500 -0.051 0.000 2.105 285 R HA -0.139 4.201 4.340 -0.000 0.000 0.239 285 R C 0.916 177.142 176.300 -0.123 0.000 1.135 285 R CA 2.145 58.204 56.100 -0.067 0.000 0.967 285 R CB -0.738 29.543 30.300 -0.031 0.000 0.861 285 R HN 0.445 nan 8.270 nan 0.000 0.442 286 D N -0.481 119.812 120.400 -0.178 0.000 2.277 286 D HA -0.009 4.631 4.640 -0.000 0.000 0.208 286 D C 0.248 176.345 176.300 -0.339 0.000 0.962 286 D CA 0.819 54.683 54.000 -0.226 0.000 0.865 286 D CB 0.032 40.703 40.800 -0.215 0.000 0.939 286 D HN 0.290 nan 8.370 nan 0.000 0.510 287 N N 1.177 119.574 118.700 -0.505 0.000 2.291 287 N HA -0.010 4.730 4.740 -0.000 0.000 0.244 287 N C -0.894 174.417 175.510 -0.331 0.000 1.216 287 N CA -0.012 52.713 53.050 -0.541 0.000 0.879 287 N CB 0.996 38.830 38.487 -1.088 0.000 1.167 287 N HN 0.029 nan 8.380 nan 0.000 0.515 288 D N 0.918 121.191 120.400 -0.212 0.000 2.697 288 D HA -0.224 4.415 4.640 -0.000 0.000 0.235 288 D C -0.128 176.122 176.300 -0.082 0.000 1.167 288 D CA 0.777 54.709 54.000 -0.114 0.000 0.656 288 D CB -0.932 39.821 40.800 -0.079 0.000 1.025 288 D HN 0.304 nan 8.370 nan 0.000 0.419 289 M N 0.376 119.925 119.600 -0.084 0.000 2.465 289 M HA 0.450 4.930 4.480 -0.000 0.000 0.316 289 M C -0.852 175.444 176.300 -0.007 0.000 1.121 289 M CA -0.660 54.639 55.300 -0.002 0.000 0.934 289 M CB 1.804 34.468 32.600 0.107 0.000 1.692 289 M HN 0.067 nan 8.290 nan 0.000 0.444 290 I N 4.624 125.170 120.570 -0.039 0.000 2.471 290 I HA 0.183 4.352 4.170 -0.000 0.000 0.286 290 I C -0.845 175.152 176.117 -0.201 0.000 1.079 290 I CA -0.553 60.665 61.300 -0.138 0.000 1.398 290 I CB 0.722 38.604 38.000 -0.196 0.000 1.403 290 I HN 0.509 nan 8.210 nan 0.000 0.530 291 L N 8.027 129.124 121.223 -0.210 0.000 2.277 291 L HA 0.327 4.667 4.340 -0.000 0.000 0.284 291 L C -0.457 176.233 176.870 -0.300 0.000 1.028 291 L CA -0.297 54.431 54.840 -0.187 0.000 0.835 291 L CB 0.533 42.552 42.059 -0.067 0.000 1.215 291 L HN 0.465 nan 8.230 nan 0.000 0.425 292 H N 4.356 123.139 119.070 -0.478 0.000 2.562 292 H HA 0.534 5.090 4.556 -0.000 0.000 0.314 292 H C -1.155 174.051 175.328 -0.203 0.000 1.079 292 H CA -0.499 55.274 56.048 -0.458 0.000 1.349 292 H CB 1.217 30.464 29.762 -0.858 0.000 1.432 292 H HN 0.609 nan 8.280 nan 0.000 0.479 293 L N 6.544 127.398 121.223 -0.615 0.000 2.280 293 L HA 0.242 4.582 4.340 -0.000 0.000 0.287 293 L C -1.165 175.401 176.870 -0.506 0.000 1.023 293 L CA -0.534 54.074 54.840 -0.387 0.000 0.819 293 L CB 0.685 42.624 42.059 -0.200 0.000 1.212 293 L HN 0.772 nan 8.230 nan 0.000 0.420 294 H N 4.772 123.604 119.070 -0.395 0.000 2.604 294 H HA 0.261 4.817 4.556 -0.000 0.000 0.306 294 H C 0.196 175.318 175.328 -0.343 0.000 1.075 294 H CA -0.519 55.223 56.048 -0.510 0.000 1.357 294 H CB 0.944 30.563 29.762 -0.237 0.000 1.426 294 H HN 0.809 nan 8.280 nan 0.000 0.470 295 R N 3.542 123.775 120.500 -0.445 0.000 2.858 295 R HA 0.283 4.623 4.340 -0.000 0.000 0.228 295 R C 0.262 176.565 176.300 0.005 0.000 1.471 295 R CA 0.037 56.064 56.100 -0.122 0.000 1.342 295 R CB -0.638 29.592 30.300 -0.117 0.000 1.152 295 R HN 0.410 nan 8.270 nan 0.000 0.521 296 A N 0.888 123.884 122.820 0.293 0.000 2.584 296 A HA 0.342 4.662 4.320 -0.000 0.000 0.239 296 A C 1.649 179.267 177.584 0.057 0.000 1.043 296 A CA 0.607 52.773 52.037 0.216 0.000 0.756 296 A CB -0.540 18.505 19.000 0.074 0.000 0.963 296 A HN 0.876 nan 8.150 nan 0.000 0.511 297 G N 2.162 110.967 108.800 0.008 0.000 2.189 297 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.267 297 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.267 297 G C 0.901 175.724 174.900 -0.130 0.000 0.975 297 G CA 1.224 46.301 45.100 -0.039 0.000 0.644 297 G HN 1.194 nan 8.290 nan 0.000 0.537 298 N N 0.700 119.304 118.700 -0.160 0.000 2.188 298 N HA -0.031 4.709 4.740 -0.000 0.000 0.184 298 N C 2.069 177.171 175.510 -0.681 0.000 1.018 298 N CA 1.926 54.766 53.050 -0.350 0.000 0.858 298 N CB -0.283 38.131 38.487 -0.121 0.000 0.989 298 N HN 0.290 nan 8.380 nan 0.000 0.426 299 S N -1.042 114.426 115.700 -0.386 0.000 2.653 299 S HA -0.027 4.443 4.470 -0.000 0.000 0.233 299 S C 1.305 175.737 174.600 -0.280 0.000 0.970 299 S CA 0.712 58.726 58.200 -0.310 0.000 0.947 299 S CB -0.388 62.697 63.200 -0.191 0.000 0.771 299 S HN 0.437 nan 8.310 nan 0.000 0.538 300 T N 1.061 115.392 114.554 -0.370 0.000 2.985 300 T HA -0.038 4.312 4.350 -0.000 0.000 0.266 300 T C 1.219 175.874 174.700 -0.074 0.000 1.076 300 T CA 0.934 62.934 62.100 -0.168 0.000 1.135 300 T CB -0.170 68.659 68.868 -0.066 0.000 0.890 300 T HN 0.841 nan 8.240 nan 0.000 0.480 301 Y N -0.702 119.623 120.300 0.042 0.000 2.563 301 Y HA 0.512 5.062 4.550 -0.000 0.000 0.250 301 Y C 1.821 177.755 175.900 0.057 0.000 1.126 301 Y CA -0.272 57.856 58.100 0.048 0.000 1.231 301 Y CB -0.276 38.189 38.460 0.008 0.000 1.288 301 Y HN 0.123 nan 8.280 nan 0.000 0.537 302 S N -0.992 114.657 115.700 -0.086 0.000 2.539 302 S HA 0.227 4.697 4.470 -0.000 0.000 0.221 302 S C 1.653 176.281 174.600 0.047 0.000 0.987 302 S CA -0.107 58.131 58.200 0.062 0.000 0.929 302 S CB 0.203 63.415 63.200 0.020 0.000 0.832 302 S HN 0.252 nan 8.310 nan 0.000 0.492 303 R N 1.835 122.339 120.500 0.006 0.000 2.051 303 R HA 0.218 4.558 4.340 -0.000 0.000 0.225 303 R C 0.338 176.680 176.300 0.070 0.000 1.155 303 R CA 1.300 57.413 56.100 0.021 0.000 0.945 303 R CB -0.585 29.707 30.300 -0.012 0.000 0.840 303 R HN 0.300 nan 8.270 nan 0.000 0.432 304 Q N 1.297 121.151 119.800 0.090 0.000 2.313 304 Q HA 0.005 4.345 4.340 -0.000 0.000 0.266 304 Q C 0.255 176.343 176.000 0.146 0.000 0.989 304 Q CA 0.338 56.209 55.803 0.114 0.000 0.890 304 Q CB 1.150 29.963 28.738 0.125 0.000 1.200 304 Q HN 0.256 nan 8.270 nan 0.000 0.396 305 K N 2.644 123.125 120.400 0.135 0.000 2.439 305 K HA -0.112 4.208 4.320 -0.000 0.000 0.197 305 K C 1.036 177.735 176.600 0.165 0.000 1.041 305 K CA 0.987 57.365 56.287 0.151 0.000 0.970 305 K CB 0.394 32.971 32.500 0.129 0.000 0.773 305 K HN 0.556 nan 8.250 nan 0.000 0.479 306 N N -1.002 117.799 118.700 0.168 0.000 2.405 306 N HA -0.089 4.651 4.740 -0.000 0.000 0.175 306 N C -0.132 175.546 175.510 0.280 0.000 1.051 306 N CA 0.551 53.710 53.050 0.183 0.000 0.899 306 N CB 0.107 38.680 38.487 0.143 0.000 1.000 306 N HN 0.123 nan 8.380 nan 0.000 0.451 307 H N -1.364 117.811 119.070 0.176 0.000 2.930 307 H HA 0.601 5.157 4.556 -0.000 0.000 0.371 307 H C 0.264 175.765 175.328 0.287 0.000 1.169 307 H CA 0.607 56.799 56.048 0.241 0.000 1.157 307 H CB 1.722 31.610 29.762 0.210 0.000 1.789 307 H HN 0.371 nan 8.280 nan 0.000 0.547 308 G N 1.757 110.524 108.800 -0.055 0.000 2.384 308 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.200 308 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.200 308 G C -1.286 173.705 174.900 0.152 0.000 1.205 308 G CA -0.292 44.855 45.100 0.079 0.000 1.116 308 G HN 0.636 nan 8.290 nan 0.000 0.547 309 M N 1.110 120.807 119.600 0.162 0.000 2.393 309 M HA 0.368 4.848 4.480 -0.000 0.000 0.299 309 M C -0.163 176.233 176.300 0.160 0.000 1.103 309 M CA -0.778 54.574 55.300 0.086 0.000 0.910 309 M CB 2.155 34.673 32.600 -0.137 0.000 1.659 309 M HN 0.607 nan 8.290 nan 0.000 0.445 310 N N 1.440 120.186 118.700 0.077 0.000 2.513 310 N HA 0.053 4.793 4.740 -0.000 0.000 0.268 310 N C 0.317 175.850 175.510 0.039 0.000 1.180 310 N CA 0.166 53.291 53.050 0.124 0.000 0.948 310 N CB 0.867 39.438 38.487 0.140 0.000 1.083 310 N HN 0.682 nan 8.380 nan 0.000 0.455 311 F N 4.955 124.837 119.950 -0.113 0.000 2.236 311 F HA -0.177 4.350 4.527 -0.000 0.000 0.302 311 F C 2.416 177.939 175.800 -0.462 0.000 1.073 311 F CA 1.545 59.337 58.000 -0.348 0.000 1.336 311 F CB -0.034 38.587 39.000 -0.632 0.000 1.040 311 F HN 0.699 nan 8.300 nan 0.000 0.507 312 R N -0.189 120.084 120.500 -0.378 0.000 2.127 312 R HA -0.134 4.206 4.340 -0.000 0.000 0.238 312 R C 1.730 177.786 176.300 -0.406 0.000 1.134 312 R CA 1.996 57.942 56.100 -0.256 0.000 0.975 312 R CB -1.342 29.084 30.300 0.210 0.000 0.865 312 R HN 0.292 nan 8.270 nan 0.000 0.447 313 V N 1.255 120.881 119.914 -0.481 0.000 2.307 313 V HA -0.190 3.929 4.120 -0.000 0.000 0.245 313 V C 2.336 177.786 176.094 -1.072 0.000 1.045 313 V CA 1.395 63.231 62.300 -0.775 0.000 1.024 313 V CB -0.433 30.861 31.823 -0.881 0.000 0.651 313 V HN 0.164 nan 8.190 nan 0.000 0.449 314 I N -0.134 119.908 120.570 -0.881 0.000 2.335 314 I HA -0.227 3.943 4.170 -0.000 0.000 0.251 314 I C 2.494 178.273 176.117 -0.564 0.000 1.129 314 I CA 1.192 62.122 61.300 -0.616 0.000 1.402 314 I CB -0.911 36.912 38.000 -0.295 0.000 1.069 314 I HN 0.314 nan 8.210 nan 0.000 0.424 315 C N 0.167 118.993 119.300 -0.790 0.000 2.425 315 C HA -0.162 4.298 4.460 -0.000 0.000 0.277 315 C C 2.719 177.566 174.990 -0.239 0.000 1.280 315 C CA 0.751 59.432 59.018 -0.562 0.000 1.744 315 C CB -0.932 26.476 27.740 -0.554 0.000 1.989 315 C HN 0.459 nan 8.230 nan 0.000 0.491 316 K N -0.633 119.636 120.400 -0.219 0.000 2.062 316 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 316 K C 1.971 178.624 176.600 0.089 0.000 1.051 316 K CA 1.351 57.665 56.287 0.045 0.000 0.941 316 K CB -0.201 32.230 32.500 -0.115 0.000 0.719 316 K HN 0.529 nan 8.250 nan 0.000 0.440 317 W N 0.734 121.917 121.300 -0.196 0.000 2.381 317 W HA -0.044 4.616 4.660 0.000 0.000 0.301 317 W C 1.922 178.308 176.519 -0.222 0.000 1.205 317 W CA 0.541 57.721 57.345 -0.275 0.000 1.285 317 W CB -0.631 28.601 29.460 -0.381 0.000 1.133 317 W HN 0.058 nan 8.180 nan 0.000 0.521 318 M N -0.293 119.329 119.600 0.037 0.000 2.296 318 M HA -0.073 4.407 4.480 -0.000 0.000 0.265 318 M C 2.006 178.275 176.300 -0.053 0.000 1.064 318 M CA 1.101 56.395 55.300 -0.011 0.000 1.109 318 M CB -1.229 31.349 32.600 -0.037 0.000 1.396 318 M HN 0.035 nan 8.290 nan 0.000 0.430 319 R N -0.030 120.419 120.500 -0.085 0.000 2.119 319 R HA 0.011 4.351 4.340 -0.000 0.000 0.222 319 R C 2.006 178.228 176.300 -0.131 0.000 1.088 319 R CA 0.873 56.862 56.100 -0.185 0.000 0.984 319 R CB 0.018 30.069 30.300 -0.415 0.000 0.884 319 R HN 0.317 nan 8.270 nan 0.000 0.447 320 M N -0.190 119.380 119.600 -0.050 0.000 2.099 320 M HA -0.089 4.391 4.480 -0.000 0.000 0.262 320 M C 2.482 178.825 176.300 0.070 0.000 1.067 320 M CA 1.789 57.045 55.300 -0.073 0.000 1.124 320 M CB -0.307 32.034 32.600 -0.432 0.000 1.353 320 M HN 0.178 nan 8.290 nan 0.000 0.410 321 A N -0.002 122.849 122.820 0.051 0.000 1.903 321 A HA -0.072 4.247 4.320 -0.000 0.000 0.219 321 A C 1.944 179.566 177.584 0.064 0.000 1.191 321 A CA 2.126 54.215 52.037 0.087 0.000 0.638 321 A CB -1.106 17.923 19.000 0.047 0.000 0.823 321 A HN 0.730 nan 8.150 nan 0.000 0.451 322 G N -3.429 105.380 108.800 0.015 0.000 2.173 322 G HA2 -0.019 3.940 3.960 -0.000 0.000 0.142 322 G HA3 -0.019 3.940 3.960 -0.000 0.000 0.142 322 G C 0.084 174.971 174.900 -0.022 0.000 1.019 322 G CA -0.026 45.073 45.100 -0.001 0.000 0.699 322 G HN 0.771 nan 8.290 nan 0.000 0.495 323 V N 1.181 121.073 119.914 -0.036 0.000 2.843 323 V HA 0.248 4.368 4.120 -0.000 0.000 0.305 323 V C 1.201 177.256 176.094 -0.065 0.000 1.065 323 V CA 0.808 63.075 62.300 -0.056 0.000 1.116 323 V CB 1.348 33.133 31.823 -0.064 0.000 0.968 323 V HN 0.285 nan 8.190 nan 0.000 0.487 324 D N 0.667 121.021 120.400 -0.076 0.000 2.277 324 D HA 0.122 4.762 4.640 -0.000 0.000 0.209 324 D C 0.549 176.936 176.300 0.145 0.000 0.970 324 D CA 0.930 54.913 54.000 -0.028 0.000 0.874 324 D CB 0.289 41.025 40.800 -0.108 0.000 0.982 324 D HN 0.712 nan 8.370 nan 0.000 0.504 325 H N -0.894 118.099 119.070 -0.129 0.000 2.797 325 H HA 0.660 5.216 4.556 -0.000 0.000 0.372 325 H C -0.828 174.367 175.328 -0.222 0.000 1.168 325 H CA -0.866 55.112 56.048 -0.118 0.000 1.163 325 H CB 3.194 32.958 29.762 0.004 0.000 1.778 325 H HN -0.160 nan 8.280 nan 0.000 0.551 326 I N 1.117 121.674 120.570 -0.022 0.000 2.753 326 I HA 0.073 4.243 4.170 -0.000 0.000 0.291 326 I C -0.895 175.275 176.117 0.088 0.000 1.425 326 I CA -0.415 60.857 61.300 -0.047 0.000 1.039 326 I CB 1.892 39.882 38.000 -0.017 0.000 1.349 326 I HN 0.730 nan 8.210 nan 0.000 0.430 327 H N 6.307 125.309 119.070 -0.114 0.000 3.046 327 H HA 0.257 4.813 4.556 -0.000 0.000 0.303 327 H C 0.352 175.615 175.328 -0.110 0.000 1.002 327 H CA 0.233 56.205 56.048 -0.128 0.000 1.460 327 H CB 1.060 30.673 29.762 -0.248 0.000 1.493 327 H HN 0.630 nan 8.280 nan 0.000 0.559 328 A N 3.818 126.650 122.820 0.022 0.000 2.606 328 A HA 0.399 4.719 4.320 -0.000 0.000 0.290 328 A C 1.084 178.763 177.584 0.157 0.000 1.174 328 A CA 0.149 52.244 52.037 0.097 0.000 0.958 328 A CB 0.006 18.999 19.000 -0.011 0.000 1.194 328 A HN 0.990 nan 8.150 nan 0.000 0.526 329 G N -0.043 108.752 108.800 -0.008 0.000 2.856 329 G HA2 0.114 4.074 3.960 -0.000 0.000 0.674 329 G HA3 0.114 4.074 3.960 -0.000 0.000 0.674 329 G C -0.035 174.906 174.900 0.070 0.000 1.519 329 G CA -0.082 45.015 45.100 -0.006 0.000 0.940 329 G HN 1.725 nan 8.290 nan 0.000 0.564 330 T N -1.886 112.652 114.554 -0.026 0.000 2.856 330 T HA 0.662 5.012 4.350 -0.000 0.000 0.283 330 T C 1.278 175.926 174.700 -0.087 0.000 1.008 330 T CA 0.001 62.073 62.100 -0.047 0.000 0.997 330 T CB 2.010 70.820 68.868 -0.095 0.000 0.992 330 T HN 1.145 nan 8.240 nan 0.000 0.454 331 V N 2.304 122.126 119.914 -0.153 0.000 2.379 331 V HA -0.080 4.040 4.120 -0.000 0.000 0.245 331 V C 2.580 178.573 176.094 -0.169 0.000 1.044 331 V CA 1.809 63.950 62.300 -0.264 0.000 1.036 331 V CB -0.390 31.040 31.823 -0.654 0.000 0.664 331 V HN 0.923 nan 8.190 nan 0.000 0.453 332 V N -1.451 118.409 119.914 -0.091 0.000 3.649 332 V HA 0.458 4.578 4.120 -0.000 0.000 0.275 332 V C 1.243 177.387 176.094 0.083 0.000 1.281 332 V CA 0.458 62.767 62.300 0.016 0.000 1.143 332 V CB -0.924 30.931 31.823 0.054 0.000 0.892 332 V HN 0.307 nan 8.190 nan 0.000 0.441 333 G N 1.689 110.489 108.800 0.000 0.000 2.479 333 G HA2 0.144 4.104 3.960 -0.000 0.000 0.275 333 G HA3 0.144 4.104 3.960 -0.000 0.000 0.275 333 G C 0.744 175.557 174.900 -0.144 0.000 1.421 333 G CA 0.172 45.248 45.100 -0.039 0.000 1.059 333 G HN 0.635 nan 8.290 nan 0.000 0.535 334 K N -1.440 118.667 120.400 -0.488 0.000 2.393 334 K HA 0.216 4.536 4.320 -0.000 0.000 0.193 334 K C 0.158 176.494 176.600 -0.441 0.000 1.026 334 K CA -0.077 55.663 56.287 -0.911 0.000 1.064 334 K CB 0.068 31.844 32.500 -1.207 0.000 0.833 334 K HN 0.076 nan 8.250 nan 0.000 0.521 335 L N 2.448 123.505 121.223 -0.276 0.000 2.334 335 L HA 0.315 4.655 4.340 -0.000 0.000 0.275 335 L C 0.200 176.993 176.870 -0.128 0.000 1.036 335 L CA -0.766 53.958 54.840 -0.193 0.000 0.807 335 L CB 1.201 43.157 42.059 -0.172 0.000 1.231 335 L HN 0.177 nan 8.230 nan 0.000 0.438 336 E N 1.464 121.601 120.200 -0.106 0.000 2.641 336 E HA 0.271 4.620 4.350 -0.000 0.000 0.272 336 E C 0.120 176.698 176.600 -0.035 0.000 0.990 336 E CA 1.057 57.424 56.400 -0.056 0.000 0.971 336 E CB 0.394 30.067 29.700 -0.045 0.000 0.967 336 E HN 0.744 nan 8.360 nan 0.000 0.464 337 G N 3.750 112.540 108.800 -0.017 0.000 3.100 337 G HA2 0.076 4.036 3.960 -0.000 0.000 0.233 337 G HA3 0.076 4.036 3.960 -0.000 0.000 0.233 337 G C -1.242 173.607 174.900 -0.084 0.000 3.794 337 G CA -0.439 44.647 45.100 -0.023 0.000 0.453 337 G HN 0.685 nan 8.290 nan 0.000 0.329 338 D N 3.138 123.492 120.400 -0.077 0.000 2.425 338 D HA 0.314 4.954 4.640 -0.000 0.000 0.247 338 D C 0.232 176.418 176.300 -0.190 0.000 1.147 338 D CA -1.080 52.853 54.000 -0.111 0.000 0.879 338 D CB 1.737 42.492 40.800 -0.074 0.000 1.179 338 D HN 0.143 nan 8.370 nan 0.000 0.456 339 P HA -0.212 nan 4.420 nan 0.000 0.215 339 P C 1.506 178.694 177.300 -0.187 0.000 1.157 339 P CA 1.397 64.317 63.100 -0.302 0.000 0.874 339 P CB 0.148 31.662 31.700 -0.311 0.000 0.790 340 I N -1.050 119.442 120.570 -0.130 0.000 2.500 340 I HA -0.139 4.031 4.170 -0.000 0.000 0.252 340 I C 2.433 178.432 176.117 -0.196 0.000 1.142 340 I CA 0.761 61.990 61.300 -0.118 0.000 1.451 340 I CB -0.413 37.547 38.000 -0.068 0.000 1.093 340 I HN -0.160 nan 8.210 nan 0.000 0.430 341 I N 0.587 121.001 120.570 -0.260 0.000 2.353 341 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 341 I C 2.515 178.116 176.117 -0.859 0.000 1.119 341 I CA 1.563 62.595 61.300 -0.447 0.000 1.417 341 I CB -1.587 36.196 38.000 -0.362 0.000 1.078 341 I HN 0.192 nan 8.210 nan 0.000 0.421 342 T N 0.655 114.841 114.554 -0.612 0.000 2.833 342 T HA -0.172 4.178 4.350 -0.000 0.000 0.269 342 T C 2.064 176.665 174.700 -0.165 0.000 1.054 342 T CA 1.011 62.855 62.100 -0.426 0.000 1.135 342 T CB -0.198 68.571 68.868 -0.165 0.000 0.869 342 T HN 0.280 nan 8.240 nan 0.000 0.466 343 R N 0.665 121.041 120.500 -0.206 0.000 2.075 343 R HA -0.068 4.272 4.340 -0.000 0.000 0.232 343 R C 2.705 179.018 176.300 0.021 0.000 1.126 343 R CA 1.520 57.563 56.100 -0.095 0.000 0.963 343 R CB -0.722 29.517 30.300 -0.102 0.000 0.858 343 R HN 0.447 nan 8.270 nan 0.000 0.435 344 G N 0.310 109.061 108.800 -0.082 0.000 2.440 344 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 344 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 344 G C 1.422 176.457 174.900 0.226 0.000 1.154 344 G CA 0.692 45.799 45.100 0.011 0.000 0.767 344 G HN 0.330 nan 8.290 nan 0.000 0.552 345 F N -0.647 119.414 119.950 0.185 0.000 2.069 345 F HA -0.117 4.410 4.527 -0.000 0.000 0.298 345 F C 2.634 178.562 175.800 0.213 0.000 1.113 345 F CA 0.806 58.935 58.000 0.215 0.000 1.214 345 F CB -0.379 38.833 39.000 0.353 0.000 0.978 345 F HN 0.042 nan 8.300 nan 0.000 0.474 346 Y N 0.889 121.346 120.300 0.262 0.000 2.165 346 Y HA -0.231 4.319 4.550 -0.000 0.000 0.286 346 Y C 2.281 178.246 175.900 0.109 0.000 1.155 346 Y CA 1.198 59.388 58.100 0.150 0.000 1.164 346 Y CB -0.818 37.703 38.460 0.101 0.000 0.978 346 Y HN -0.031 nan 8.280 nan 0.000 0.513 347 K N -0.776 119.785 120.400 0.268 0.000 2.026 347 K HA -0.161 4.159 4.320 -0.000 0.000 0.208 347 K C 2.020 178.736 176.600 0.194 0.000 1.048 347 K CA 1.963 58.361 56.287 0.184 0.000 0.929 347 K CB -0.567 32.018 32.500 0.141 0.000 0.713 347 K HN 0.214 nan 8.250 nan 0.000 0.439 348 T N 1.990 116.678 114.554 0.223 0.000 2.778 348 T HA -0.145 4.204 4.350 -0.000 0.000 0.269 348 T C 1.775 176.598 174.700 0.207 0.000 1.050 348 T CA 1.218 63.489 62.100 0.285 0.000 1.137 348 T CB -0.136 68.862 68.868 0.217 0.000 0.860 348 T HN 0.137 nan 8.240 nan 0.000 0.468 349 L N -0.582 120.671 121.223 0.050 0.000 2.249 349 L HA 0.087 4.427 4.340 -0.000 0.000 0.207 349 L C 1.988 178.765 176.870 -0.156 0.000 1.090 349 L CA 0.364 55.137 54.840 -0.111 0.000 0.802 349 L CB -0.214 41.771 42.059 -0.124 0.000 0.947 349 L HN 0.195 nan 8.230 nan 0.000 0.453 350 L N -0.881 120.314 121.223 -0.047 0.000 2.262 350 L HA 0.147 4.487 4.340 -0.000 0.000 0.197 350 L C 0.772 177.632 176.870 -0.017 0.000 1.073 350 L CA 0.556 55.375 54.840 -0.035 0.000 0.800 350 L CB -0.755 41.325 42.059 0.034 0.000 0.987 350 L HN 0.027 nan 8.230 nan 0.000 0.470 351 L N 2.178 123.439 121.223 0.063 0.000 2.514 351 L HA 0.021 4.361 4.340 -0.000 0.000 0.280 351 L C -1.119 175.845 176.870 0.155 0.000 1.223 351 L CA -0.156 54.751 54.840 0.112 0.000 0.864 351 L CB -0.397 41.754 42.059 0.152 0.000 1.118 351 L HN 0.083 nan 8.230 nan 0.000 0.494 352 P HA -0.048 nan 4.420 nan 0.000 0.240 352 P C -0.038 177.419 177.300 0.263 0.000 1.190 352 P CA 0.646 63.850 63.100 0.172 0.000 0.781 352 P CB 0.614 32.373 31.700 0.098 0.000 0.931 353 K N -0.147 120.390 120.400 0.229 0.000 2.542 353 K HA 0.441 4.761 4.320 -0.000 0.000 0.259 353 K C -1.844 174.837 176.600 0.136 0.000 0.932 353 K CA -0.837 55.543 56.287 0.155 0.000 0.820 353 K CB 1.808 34.361 32.500 0.088 0.000 1.345 353 K HN -0.215 nan 8.250 nan 0.000 0.432 354 L N 2.662 123.922 121.223 0.062 0.000 2.346 354 L HA 0.463 4.803 4.340 -0.000 0.000 0.274 354 L C -0.790 176.090 176.870 0.017 0.000 1.007 354 L CA -0.210 54.660 54.840 0.048 0.000 0.818 354 L CB 1.803 43.870 42.059 0.013 0.000 1.284 354 L HN 0.623 nan 8.230 nan 0.000 0.424 355 E N 2.067 122.275 120.200 0.014 0.000 2.210 355 E HA 0.422 4.772 4.350 -0.000 0.000 0.266 355 E C -0.774 175.804 176.600 -0.036 0.000 0.883 355 E CA -1.017 55.380 56.400 -0.006 0.000 0.761 355 E CB 1.951 31.647 29.700 -0.007 0.000 1.156 355 E HN 0.328 nan 8.360 nan 0.000 0.412 356 R N 2.835 123.307 120.500 -0.047 0.000 2.538 356 R HA -0.079 4.261 4.340 -0.000 0.000 0.273 356 R C -0.529 175.670 176.300 -0.170 0.000 0.967 356 R CA 0.728 56.760 56.100 -0.115 0.000 1.101 356 R CB 0.237 30.473 30.300 -0.107 0.000 0.908 356 R HN 0.481 nan 8.270 nan 0.000 0.411 357 N N 5.653 124.193 118.700 -0.266 0.000 2.793 357 N HA 0.014 4.754 4.740 -0.000 0.000 0.251 357 N C 0.434 175.679 175.510 -0.442 0.000 1.308 357 N CA -0.382 52.502 53.050 -0.277 0.000 0.781 357 N CB 0.742 39.126 38.487 -0.172 0.000 1.439 357 N HN 0.463 nan 8.380 nan 0.000 0.562 358 L N 1.785 122.640 121.223 -0.613 0.000 2.089 358 L HA -0.196 4.144 4.340 -0.000 0.000 0.213 358 L C 2.234 178.802 176.870 -0.502 0.000 1.079 358 L CA 1.755 56.011 54.840 -0.973 0.000 0.758 358 L CB -0.866 40.343 42.059 -1.417 0.000 0.891 358 L HN 0.648 nan 8.230 nan 0.000 0.433 359 Q N -0.312 119.341 119.800 -0.246 0.000 2.084 359 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 359 Q C 2.002 177.937 176.000 -0.108 0.000 0.978 359 Q CA 1.594 57.345 55.803 -0.087 0.000 0.844 359 Q CB -0.002 28.701 28.738 -0.058 0.000 0.898 359 Q HN 0.623 nan 8.270 nan 0.000 0.426 360 E N -1.343 118.760 120.200 -0.162 0.000 2.285 360 E HA -0.015 4.335 4.350 -0.000 0.000 0.194 360 E C 0.939 177.450 176.600 -0.148 0.000 0.997 360 E CA 0.452 56.763 56.400 -0.149 0.000 0.845 360 E CB 0.333 29.957 29.700 -0.126 0.000 0.782 360 E HN 0.539 nan 8.360 nan 0.000 0.491 361 G N 0.797 109.458 108.800 -0.231 0.000 2.179 361 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.220 361 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.220 361 G C -0.181 174.627 174.900 -0.155 0.000 0.990 361 G CA -0.362 44.636 45.100 -0.169 0.000 0.646 361 G HN 0.041 nan 8.290 nan 0.000 0.517 362 L N 1.468 122.544 121.223 -0.245 0.000 2.282 362 L HA 0.598 4.938 4.340 -0.000 0.000 0.287 362 L C 1.136 177.827 176.870 -0.299 0.000 1.075 362 L CA -0.328 54.437 54.840 -0.126 0.000 0.839 362 L CB 0.063 42.079 42.059 -0.071 0.000 1.219 362 L HN 0.069 nan 8.230 nan 0.000 0.434 363 F N 1.771 121.512 119.950 -0.348 0.000 2.710 363 F HA 0.153 4.680 4.527 -0.000 0.000 0.298 363 F C 0.549 175.971 175.800 -0.630 0.000 1.137 363 F CA 0.197 57.850 58.000 -0.578 0.000 1.444 363 F CB -0.226 38.247 39.000 -0.878 0.000 1.111 363 F HN 0.170 nan 8.300 nan 0.000 0.580 364 F N -0.909 119.104 119.950 0.105 0.000 2.579 364 F HA 0.393 4.920 4.527 -0.000 0.000 0.324 364 F C -0.062 175.731 175.800 -0.011 0.000 1.058 364 F CA -1.622 56.417 58.000 0.066 0.000 0.944 364 F CB 0.692 39.722 39.000 0.050 0.000 1.245 364 F HN -0.423 nan 8.300 nan 0.000 0.477 365 D N 1.894 122.419 120.400 0.208 0.000 2.210 365 D HA 0.462 5.102 4.640 -0.000 0.000 0.249 365 D C -0.804 175.514 176.300 0.031 0.000 1.078 365 D CA 0.116 54.161 54.000 0.076 0.000 0.875 365 D CB 1.550 42.384 40.800 0.056 0.000 1.175 365 D HN 0.442 nan 8.370 nan 0.000 0.440 366 M N 2.073 121.641 119.600 -0.054 0.000 2.206 366 M HA 0.135 4.615 4.480 -0.000 0.000 0.272 366 M C -1.169 175.005 176.300 -0.211 0.000 1.012 366 M CA -0.649 54.546 55.300 -0.176 0.000 0.986 366 M CB 1.713 34.125 32.600 -0.313 0.000 1.740 366 M HN 0.098 nan 8.290 nan 0.000 0.472 367 E N 2.451 122.561 120.200 -0.151 0.000 2.383 367 E HA 0.022 4.372 4.350 -0.000 0.000 0.264 367 E C -0.509 176.022 176.600 -0.116 0.000 1.050 367 E CA 0.393 56.754 56.400 -0.066 0.000 0.896 367 E CB 0.939 30.629 29.700 -0.017 0.000 0.982 367 E HN 0.819 nan 8.360 nan 0.000 0.424 368 W N 0.466 121.765 121.300 -0.002 0.000 3.239 368 W HA 0.235 4.895 4.660 -0.000 0.000 0.348 368 W C 0.900 177.413 176.519 -0.010 0.000 1.183 368 W CA 0.393 57.730 57.345 -0.014 0.000 1.819 368 W CB 0.411 29.863 29.460 -0.014 0.000 1.091 368 W HN 0.793 nan 8.180 nan 0.000 0.629 369 A N 0.264 123.216 122.820 0.220 0.000 2.798 369 A HA -0.342 3.978 4.320 -0.000 0.000 0.282 369 A C 1.280 178.949 177.584 0.141 0.000 1.464 369 A CA 1.244 53.373 52.037 0.154 0.000 0.844 369 A CB -1.922 17.162 19.000 0.140 0.000 1.006 369 A HN 0.653 nan 8.150 nan 0.000 0.577 370 S N -3.323 112.464 115.700 0.145 0.000 3.228 370 S HA -0.205 4.265 4.470 -0.000 0.000 0.282 370 S C 0.385 175.015 174.600 0.050 0.000 1.286 370 S CA 1.054 59.305 58.200 0.085 0.000 1.066 370 S CB -1.951 61.285 63.200 0.059 0.000 1.277 370 S HN 1.164 nan 8.310 nan 0.000 0.661 371 L N 1.614 122.876 121.223 0.066 0.000 2.485 371 L HA 0.158 4.498 4.340 -0.000 0.000 0.275 371 L C 1.371 178.158 176.870 -0.138 0.000 1.207 371 L CA 0.229 55.050 54.840 -0.030 0.000 0.855 371 L CB 0.215 42.246 42.059 -0.046 0.000 1.114 371 L HN 0.265 nan 8.230 nan 0.000 0.485 372 R N 1.935 122.362 120.500 -0.123 0.000 2.827 372 R HA 0.093 4.432 4.340 -0.000 0.000 0.269 372 R C -0.305 175.867 176.300 -0.214 0.000 1.048 372 R CA -0.118 55.907 56.100 -0.125 0.000 1.173 372 R CB 0.372 30.626 30.300 -0.075 0.000 1.070 372 R HN 0.469 nan 8.270 nan 0.000 0.498 373 K N 0.815 121.119 120.400 -0.159 0.000 2.201 373 K HA 0.230 4.550 4.320 -0.000 0.000 0.278 373 K C -0.715 175.805 176.600 -0.133 0.000 1.027 373 K CA -0.512 55.668 56.287 -0.179 0.000 0.909 373 K CB 1.516 33.953 32.500 -0.105 0.000 1.062 373 K HN 0.168 nan 8.250 nan 0.000 0.465 374 V N 3.801 123.615 119.914 -0.167 0.000 2.509 374 V HA 0.151 4.271 4.120 -0.000 0.000 0.284 374 V C 0.004 176.050 176.094 -0.081 0.000 1.047 374 V CA -0.707 61.529 62.300 -0.106 0.000 0.952 374 V CB 1.232 32.972 31.823 -0.140 0.000 0.988 374 V HN 0.724 nan 8.190 nan 0.000 0.469 375 M N 9.668 129.254 119.600 -0.023 0.000 2.156 375 M HA 0.366 4.846 4.480 -0.000 0.000 0.345 375 M C -2.344 173.859 176.300 -0.161 0.000 1.398 375 M CA -1.877 53.370 55.300 -0.087 0.000 1.148 375 M CB 0.745 33.272 32.600 -0.122 0.000 1.663 375 M HN 0.351 nan 8.290 nan 0.000 0.464 376 P HA 0.112 nan 4.420 nan 0.000 0.271 376 P C -1.179 175.991 177.300 -0.218 0.000 1.218 376 P CA -0.226 62.668 63.100 -0.342 0.000 0.780 376 P CB 0.733 31.905 31.700 -0.880 0.000 0.901 377 V N 2.255 122.094 119.914 -0.126 0.000 2.495 377 V HA 0.577 4.697 4.120 -0.000 0.000 0.298 377 V C 0.321 176.357 176.094 -0.096 0.000 1.031 377 V CA -0.792 61.472 62.300 -0.059 0.000 0.871 377 V CB 1.541 33.419 31.823 0.092 0.000 0.988 377 V HN 0.716 nan 8.190 nan 0.000 0.432 378 A N 3.419 126.190 122.820 -0.081 0.000 2.271 378 A HA 0.851 5.171 4.320 -0.000 0.000 0.317 378 A C -0.183 177.254 177.584 -0.245 0.000 1.245 378 A CA -0.390 51.589 52.037 -0.096 0.000 0.857 378 A CB 1.281 20.276 19.000 -0.008 0.000 1.175 378 A HN 0.843 nan 8.150 nan 0.000 0.512 379 S N 1.446 116.967 115.700 -0.298 0.000 2.562 379 S HA 0.716 5.186 4.470 -0.000 0.000 0.274 379 S C -0.596 173.851 174.600 -0.256 0.000 1.160 379 S CA 0.325 58.328 58.200 -0.328 0.000 0.933 379 S CB 1.182 64.130 63.200 -0.421 0.000 1.100 379 S HN 2.502 nan 8.310 nan 0.000 0.468 380 G N 1.977 110.639 108.800 -0.231 0.000 2.372 380 G HA2 0.467 4.427 3.960 -0.000 0.000 0.207 380 G HA3 0.467 4.427 3.960 -0.000 0.000 0.207 380 G C 0.823 175.597 174.900 -0.211 0.000 1.473 380 G CA 0.359 45.337 45.100 -0.204 0.000 1.183 380 G HN 2.019 nan 8.290 nan 0.000 0.607 381 G N 0.471 109.176 108.800 -0.158 0.000 2.175 381 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.265 381 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.265 381 G C 0.880 175.843 174.900 0.105 0.000 0.979 381 G CA 1.168 46.262 45.100 -0.010 0.000 0.663 381 G HN 2.241 nan 8.290 nan 0.000 0.533 382 I N -1.254 119.261 120.570 -0.092 0.000 2.662 382 I HA 0.785 4.955 4.170 -0.000 0.000 0.291 382 I C 0.353 176.477 176.117 0.011 0.000 1.046 382 I CA -0.650 60.562 61.300 -0.147 0.000 1.361 382 I CB 0.890 38.670 38.000 -0.366 0.000 1.429 382 I HN 0.403 nan 8.210 nan 0.000 0.558 383 H N 2.444 121.647 119.070 0.220 0.000 3.008 383 H HA 0.739 5.295 4.556 -0.000 0.000 0.354 383 H C -1.002 174.559 175.328 0.388 0.000 1.252 383 H CA -1.032 55.207 56.048 0.319 0.000 1.117 383 H CB 0.870 30.633 29.762 0.002 0.000 1.857 383 H HN 0.878 nan 8.280 nan 0.000 0.547 384 A N 0.591 123.638 122.820 0.379 0.000 2.515 384 A HA 0.487 4.807 4.320 -0.000 0.000 0.263 384 A C 1.365 179.165 177.584 0.361 0.000 1.096 384 A CA 0.864 53.033 52.037 0.221 0.000 0.769 384 A CB -1.438 17.603 19.000 0.068 0.000 1.040 384 A HN 1.710 nan 8.150 nan 0.000 0.505 385 G N 1.506 110.470 108.800 0.272 0.000 3.110 385 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.205 385 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.205 385 G C 0.571 175.648 174.900 0.295 0.000 1.019 385 G CA 0.201 45.465 45.100 0.272 0.000 0.826 385 G HN 0.628 nan 8.290 nan 0.000 0.481 386 Q N -0.115 119.810 119.800 0.207 0.000 2.246 386 Q HA 0.376 4.716 4.340 -0.000 0.000 0.202 386 Q C 2.053 178.207 176.000 0.257 0.000 0.883 386 Q CA -0.127 55.789 55.803 0.189 0.000 0.952 386 Q CB 0.288 28.993 28.738 -0.055 0.000 1.078 386 Q HN 0.400 nan 8.270 nan 0.000 0.493 387 M N 0.905 120.690 119.600 0.309 0.000 2.106 387 M HA -0.223 4.257 4.480 -0.000 0.000 0.259 387 M C 1.879 178.338 176.300 0.265 0.000 1.068 387 M CA 2.123 57.570 55.300 0.245 0.000 1.100 387 M CB -0.304 32.399 32.600 0.171 0.000 1.351 387 M HN 0.468 nan 8.290 nan 0.000 0.404 388 H N -1.580 117.557 119.070 0.111 0.000 2.357 388 H HA -0.129 4.427 4.556 -0.000 0.000 0.301 388 H C 1.727 177.180 175.328 0.207 0.000 1.082 388 H CA 1.312 57.471 56.048 0.186 0.000 1.342 388 H CB -0.806 29.066 29.762 0.183 0.000 1.389 388 H HN 0.634 nan 8.280 nan 0.000 0.511 389 Q N 1.182 120.789 119.800 -0.320 0.000 2.187 389 Q HA -0.023 4.317 4.340 -0.000 0.000 0.199 389 Q C 2.248 178.282 176.000 0.057 0.000 0.957 389 Q CA 0.896 56.538 55.803 -0.268 0.000 0.857 389 Q CB -0.097 28.444 28.738 -0.329 0.000 0.929 389 Q HN 0.510 nan 8.270 nan 0.000 0.453 390 L N 0.570 121.860 121.223 0.112 0.000 1.994 390 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 390 L C 2.482 179.426 176.870 0.124 0.000 1.071 390 L CA 0.809 55.734 54.840 0.142 0.000 0.745 390 L CB -0.399 41.734 42.059 0.124 0.000 0.892 390 L HN 0.243 nan 8.230 nan 0.000 0.431 391 I N -0.611 120.024 120.570 0.108 0.000 2.361 391 I HA -0.316 3.854 4.170 -0.000 0.000 0.251 391 I C 2.539 178.727 176.117 0.118 0.000 1.133 391 I CA 1.572 62.905 61.300 0.054 0.000 1.413 391 I CB -1.445 36.495 38.000 -0.100 0.000 1.073 391 I HN 0.460 nan 8.210 nan 0.000 0.424 392 H N 0.121 119.263 119.070 0.121 0.000 2.395 392 H HA -0.175 4.381 4.556 -0.000 0.000 0.299 392 H C 2.099 177.378 175.328 -0.082 0.000 1.070 392 H CA 1.691 57.777 56.048 0.064 0.000 1.356 392 H CB 0.150 29.840 29.762 -0.120 0.000 1.401 392 H HN 0.190 nan 8.280 nan 0.000 0.524 393 Y N 0.713 120.980 120.300 -0.055 0.000 2.177 393 Y HA -0.006 4.544 4.550 -0.000 0.000 0.291 393 Y C 2.922 178.648 175.900 -0.290 0.000 1.117 393 Y CA 0.789 58.776 58.100 -0.190 0.000 1.114 393 Y CB -0.352 38.051 38.460 -0.094 0.000 1.017 393 Y HN 0.060 nan 8.280 nan 0.000 0.505 394 L N -1.188 120.005 121.223 -0.052 0.000 2.240 394 L HA 0.230 4.569 4.340 -0.000 0.000 0.211 394 L C 1.325 178.173 176.870 -0.036 0.000 1.106 394 L CA 0.587 55.300 54.840 -0.212 0.000 0.793 394 L CB -1.132 40.916 42.059 -0.018 0.000 0.927 394 L HN 0.387 nan 8.230 nan 0.000 0.446 395 G N 0.715 109.520 108.800 0.008 0.000 2.681 395 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.220 395 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.220 395 G C 0.334 175.275 174.900 0.070 0.000 1.353 395 G CA 0.297 45.421 45.100 0.041 0.000 0.872 395 G HN 0.263 nan 8.290 nan 0.000 0.557 396 E N -0.361 119.878 120.200 0.065 0.000 2.028 396 E HA -0.057 4.293 4.350 -0.000 0.000 0.190 396 E C 0.320 176.967 176.600 0.078 0.000 0.984 396 E CA 1.001 57.437 56.400 0.060 0.000 0.800 396 E CB -0.041 29.691 29.700 0.053 0.000 0.758 396 E HN 0.458 nan 8.360 nan 0.000 0.448 397 D N 1.432 121.888 120.400 0.092 0.000 2.402 397 D HA 0.158 4.798 4.640 -0.000 0.000 0.235 397 D C -0.633 175.723 176.300 0.092 0.000 1.226 397 D CA 0.268 54.316 54.000 0.079 0.000 0.918 397 D CB 1.221 42.062 40.800 0.068 0.000 1.043 397 D HN -0.039 nan 8.370 nan 0.000 0.506 398 V N 1.837 121.794 119.914 0.071 0.000 3.155 398 V HA 0.147 4.267 4.120 -0.000 0.000 0.272 398 V C -1.642 174.479 176.094 0.044 0.000 1.639 398 V CA -0.753 61.586 62.300 0.066 0.000 1.006 398 V CB 2.383 34.330 31.823 0.208 0.000 1.244 398 V HN 0.088 nan 8.190 nan 0.000 0.458 399 V N 6.314 126.236 119.914 0.014 0.000 2.294 399 V HA 0.444 4.564 4.120 -0.000 0.000 0.272 399 V C -0.283 175.835 176.094 0.039 0.000 1.027 399 V CA -0.540 61.793 62.300 0.055 0.000 0.823 399 V CB 1.073 32.939 31.823 0.072 0.000 1.030 399 V HN 0.626 nan 8.190 nan 0.000 0.457 400 L N 5.572 126.837 121.223 0.070 0.000 2.456 400 L HA 0.275 4.615 4.340 -0.000 0.000 0.277 400 L C 0.612 177.451 176.870 -0.052 0.000 1.124 400 L CA 0.737 55.568 54.840 -0.015 0.000 0.880 400 L CB 0.210 42.387 42.059 0.196 0.000 1.192 400 L HN 0.629 nan 8.230 nan 0.000 0.463 401 Q N 4.117 123.762 119.800 -0.258 0.000 2.368 401 Q HA 0.364 4.704 4.340 -0.000 0.000 0.256 401 Q C -1.237 174.554 176.000 -0.347 0.000 0.980 401 Q CA -0.243 55.451 55.803 -0.181 0.000 0.887 401 Q CB 0.994 29.635 28.738 -0.160 0.000 1.221 401 Q HN 0.347 nan 8.270 nan 0.000 0.458 402 F N 1.261 121.184 119.950 -0.045 0.000 2.308 402 F HA 0.324 4.851 4.527 -0.000 0.000 0.370 402 F C 1.040 176.806 175.800 -0.056 0.000 1.100 402 F CA -0.629 57.337 58.000 -0.056 0.000 1.108 402 F CB 1.107 40.081 39.000 -0.043 0.000 1.293 402 F HN 0.645 nan 8.300 nan 0.000 0.478 403 G N 1.789 110.615 108.800 0.044 0.000 2.658 403 G HA2 0.040 4.000 3.960 -0.000 0.000 0.217 403 G HA3 0.040 4.000 3.960 -0.000 0.000 0.217 403 G C 1.752 176.671 174.900 0.033 0.000 1.319 403 G CA 0.565 45.684 45.100 0.031 0.000 0.885 403 G HN 0.743 nan 8.290 nan 0.000 0.553 404 G N 0.548 109.346 108.800 -0.003 0.000 2.432 404 G HA2 0.115 4.075 3.960 -0.000 0.000 0.219 404 G HA3 0.115 4.075 3.960 -0.000 0.000 0.219 404 G C 1.667 176.505 174.900 -0.103 0.000 1.135 404 G CA 1.256 46.352 45.100 -0.006 0.000 0.767 404 G HN 0.700 nan 8.290 nan 0.000 0.550 405 G N -0.521 108.154 108.800 -0.208 0.000 2.653 405 G HA2 0.105 4.065 3.960 -0.000 0.000 0.212 405 G HA3 0.105 4.065 3.960 -0.000 0.000 0.212 405 G C 1.350 176.230 174.900 -0.033 0.000 1.138 405 G CA 1.590 46.457 45.100 -0.388 0.000 0.782 405 G HN 0.417 nan 8.290 nan 0.000 0.535 406 T N 0.244 114.854 114.554 0.094 0.000 3.397 406 T HA 0.128 4.478 4.350 -0.000 0.000 0.233 406 T C 2.240 177.055 174.700 0.192 0.000 0.969 406 T CA -0.042 62.143 62.100 0.141 0.000 1.316 406 T CB -0.069 68.851 68.868 0.087 0.000 1.175 406 T HN 0.121 nan 8.240 nan 0.000 0.381 407 I N 1.983 122.633 120.570 0.134 0.000 2.657 407 I HA -0.044 4.126 4.170 -0.000 0.000 0.261 407 I C 2.316 178.550 176.117 0.195 0.000 1.212 407 I CA 1.008 62.382 61.300 0.123 0.000 1.453 407 I CB -0.424 37.616 38.000 0.067 0.000 1.092 407 I HN 0.325 nan 8.210 nan 0.000 0.452 408 G N -0.618 108.367 108.800 0.308 0.000 2.920 408 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.208 408 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.208 408 G C 0.621 175.777 174.900 0.426 0.000 1.159 408 G CA -0.165 45.191 45.100 0.426 0.000 0.784 408 G HN 0.329 nan 8.290 nan 0.000 0.535 409 H N 1.742 120.984 119.070 0.287 0.000 2.764 409 H HA 0.121 4.677 4.556 -0.000 0.000 0.341 409 H C -1.133 174.199 175.328 0.005 0.000 1.072 409 H CA -1.403 54.708 56.048 0.105 0.000 1.444 409 H CB 2.095 31.926 29.762 0.115 0.000 1.458 409 H HN 0.026 nan 8.280 nan 0.000 0.572 410 P HA -0.053 nan 4.420 nan 0.000 0.230 410 P C 0.009 177.397 177.300 0.147 0.000 1.158 410 P CA 0.722 63.831 63.100 0.014 0.000 0.769 410 P CB 0.585 32.196 31.700 -0.148 0.000 0.807 411 D N -0.461 120.182 120.400 0.405 0.000 2.398 411 D HA 0.331 4.971 4.640 -0.000 0.000 0.210 411 D C 1.152 177.472 176.300 0.034 0.000 1.094 411 D CA 0.553 54.652 54.000 0.165 0.000 0.839 411 D CB 0.682 41.569 40.800 0.145 0.000 0.963 411 D HN 0.198 nan 8.370 nan 0.000 0.506 412 G N 0.153 108.987 108.800 0.057 0.000 2.440 412 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.684 412 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.684 412 G C 0.562 175.439 174.900 -0.039 0.000 1.309 412 G CA -0.694 44.403 45.100 -0.006 0.000 0.931 412 G HN 0.067 nan 8.290 nan 0.000 0.612 413 I N 0.373 120.925 120.570 -0.030 0.000 2.315 413 I HA -0.172 3.998 4.170 -0.000 0.000 0.248 413 I C 2.928 178.992 176.117 -0.089 0.000 1.117 413 I CA 1.672 62.952 61.300 -0.033 0.000 1.404 413 I CB -0.243 37.740 38.000 -0.029 0.000 1.071 413 I HN 0.638 nan 8.210 nan 0.000 0.419 414 Q N 0.742 120.468 119.800 -0.124 0.000 2.050 414 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 414 Q C 2.551 178.441 176.000 -0.184 0.000 0.980 414 Q CA 1.729 57.442 55.803 -0.151 0.000 0.840 414 Q CB -0.267 28.378 28.738 -0.155 0.000 0.898 414 Q HN 0.578 nan 8.270 nan 0.000 0.424 415 A N 1.011 123.673 122.820 -0.264 0.000 1.883 415 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 415 A C 2.292 179.600 177.584 -0.460 0.000 1.186 415 A CA 1.828 53.601 52.037 -0.440 0.000 0.624 415 A CB -1.329 17.229 19.000 -0.737 0.000 0.822 415 A HN 0.506 nan 8.150 nan 0.000 0.444 416 G N -0.728 107.855 108.800 -0.360 0.000 2.442 416 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.219 416 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.219 416 G C 1.718 176.597 174.900 -0.036 0.000 1.141 416 G CA 1.538 46.628 45.100 -0.016 0.000 0.763 416 G HN 0.830 nan 8.290 nan 0.000 0.554 417 A N 0.248 123.018 122.820 -0.084 0.000 1.873 417 A HA 0.034 4.354 4.320 -0.000 0.000 0.215 417 A C 2.537 180.056 177.584 -0.109 0.000 1.186 417 A CA 2.339 54.321 52.037 -0.092 0.000 0.616 417 A CB -0.907 18.041 19.000 -0.087 0.000 0.823 417 A HN 0.278 nan 8.150 nan 0.000 0.442 418 T N 0.590 115.077 114.554 -0.112 0.000 2.720 418 T HA -0.065 4.285 4.350 -0.000 0.000 0.268 418 T C 2.210 176.862 174.700 -0.080 0.000 1.037 418 T CA 1.617 63.660 62.100 -0.096 0.000 1.144 418 T CB -0.519 68.290 68.868 -0.099 0.000 0.864 418 T HN 0.600 nan 8.240 nan 0.000 0.444 419 A N 2.886 125.668 122.820 -0.064 0.000 1.859 419 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 419 A C 2.280 179.816 177.584 -0.081 0.000 1.198 419 A CA 1.809 53.833 52.037 -0.022 0.000 0.629 419 A CB -0.775 18.274 19.000 0.081 0.000 0.830 419 A HN 0.444 nan 8.150 nan 0.000 0.446 420 N N -0.623 117.970 118.700 -0.178 0.000 2.120 420 N HA -0.180 4.560 4.740 -0.000 0.000 0.188 420 N C 1.855 177.239 175.510 -0.211 0.000 1.024 420 N CA 1.651 54.492 53.050 -0.348 0.000 0.852 420 N CB -0.473 37.593 38.487 -0.702 0.000 1.003 420 N HN 0.461 nan 8.380 nan 0.000 0.424 421 R N 1.380 121.792 120.500 -0.146 0.000 2.081 421 R HA 0.006 4.346 4.340 -0.000 0.000 0.235 421 R C 1.979 178.240 176.300 -0.064 0.000 1.131 421 R CA 0.965 57.010 56.100 -0.092 0.000 0.960 421 R CB -0.772 29.480 30.300 -0.080 0.000 0.856 421 R HN 0.028 nan 8.270 nan 0.000 0.436 422 V N 0.600 120.479 119.914 -0.059 0.000 2.323 422 V HA -0.122 3.998 4.120 -0.000 0.000 0.244 422 V C 2.348 178.424 176.094 -0.030 0.000 1.041 422 V CA 1.764 64.041 62.300 -0.038 0.000 1.025 422 V CB -0.918 30.887 31.823 -0.030 0.000 0.656 422 V HN 0.512 nan 8.190 nan 0.000 0.451 423 A N 0.051 122.850 122.820 -0.034 0.000 1.883 423 A HA -0.241 4.078 4.320 -0.000 0.000 0.217 423 A C 2.177 179.755 177.584 -0.010 0.000 1.186 423 A CA 2.331 54.359 52.037 -0.015 0.000 0.624 423 A CB -0.667 18.326 19.000 -0.011 0.000 0.822 423 A HN 0.454 nan 8.150 nan 0.000 0.444 424 L N 0.008 121.217 121.223 -0.023 0.000 1.955 424 L HA -0.196 4.144 4.340 -0.000 0.000 0.213 424 L C 2.238 179.099 176.870 -0.016 0.000 1.072 424 L CA 2.714 57.551 54.840 -0.005 0.000 0.755 424 L CB -0.903 41.154 42.059 -0.003 0.000 0.888 424 L HN 0.544 nan 8.230 nan 0.000 0.432 425 E N -0.493 119.694 120.200 -0.021 0.000 2.085 425 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 425 E C 2.142 178.729 176.600 -0.021 0.000 0.994 425 E CA 1.203 57.591 56.400 -0.020 0.000 0.801 425 E CB -0.364 29.324 29.700 -0.019 0.000 0.743 425 E HN 0.683 nan 8.360 nan 0.000 0.453 426 A N 0.922 123.731 122.820 -0.018 0.000 1.908 426 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 426 A C 2.094 179.667 177.584 -0.018 0.000 1.181 426 A CA 1.622 53.651 52.037 -0.013 0.000 0.627 426 A CB -0.379 18.615 19.000 -0.009 0.000 0.818 426 A HN 0.199 nan 8.150 nan 0.000 0.445 427 M N -0.086 119.499 119.600 -0.025 0.000 2.319 427 M HA 0.004 4.484 4.480 -0.000 0.000 0.265 427 M C 1.720 177.940 176.300 -0.133 0.000 1.068 427 M CA 1.519 56.789 55.300 -0.050 0.000 1.118 427 M CB -0.562 32.022 32.600 -0.027 0.000 1.395 427 M HN 0.553 nan 8.290 nan 0.000 0.435 428 I N -2.273 118.232 120.570 -0.108 0.000 2.852 428 I HA -0.009 4.161 4.170 -0.000 0.000 0.264 428 I C 1.770 177.841 176.117 -0.075 0.000 1.179 428 I CA 0.881 62.101 61.300 -0.134 0.000 1.480 428 I CB -0.661 37.288 38.000 -0.085 0.000 1.111 428 I HN 0.239 nan 8.210 nan 0.000 0.441 429 L N 1.725 122.924 121.223 -0.040 0.000 2.017 429 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 429 L C 2.631 179.499 176.870 -0.004 0.000 1.073 429 L CA 2.505 57.336 54.840 -0.014 0.000 0.745 429 L CB -1.229 40.826 42.059 -0.007 0.000 0.894 429 L HN 0.446 nan 8.230 nan 0.000 0.432 430 A N 0.049 122.867 122.820 -0.002 0.000 1.940 430 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 430 A C 2.458 180.083 177.584 0.069 0.000 1.176 430 A CA 1.726 53.785 52.037 0.037 0.000 0.631 430 A CB -0.651 18.384 19.000 0.057 0.000 0.814 430 A HN 0.525 nan 8.150 nan 0.000 0.446 431 R N -0.179 120.321 120.500 -0.001 0.000 2.070 431 R HA -0.186 4.153 4.340 -0.000 0.000 0.233 431 R C 1.731 178.076 176.300 0.076 0.000 1.137 431 R CA 1.968 58.095 56.100 0.044 0.000 0.945 431 R CB -0.429 29.730 30.300 -0.236 0.000 0.845 431 R HN 0.514 nan 8.270 nan 0.000 0.430 432 N N 0.921 119.635 118.700 0.024 0.000 2.272 432 N HA -0.148 4.592 4.740 -0.000 0.000 0.185 432 N C 0.816 176.350 175.510 0.040 0.000 1.014 432 N CA 1.280 54.349 53.050 0.031 0.000 0.870 432 N CB -0.042 38.454 38.487 0.016 0.000 0.975 432 N HN 0.420 nan 8.380 nan 0.000 0.433 433 E N 0.154 120.380 120.200 0.044 0.000 2.494 433 E HA 0.016 4.366 4.350 -0.000 0.000 0.193 433 E C -0.094 176.538 176.600 0.053 0.000 1.074 433 E CA -0.167 56.258 56.400 0.042 0.000 0.867 433 E CB -0.065 29.657 29.700 0.037 0.000 0.924 433 E HN 0.218 nan 8.360 nan 0.000 0.502 434 N N 1.364 120.107 118.700 0.072 0.000 2.782 434 N HA -0.188 4.551 4.740 -0.000 0.000 0.251 434 N C -0.869 174.686 175.510 0.075 0.000 1.101 434 N CA 0.695 53.790 53.050 0.075 0.000 0.764 434 N CB -0.785 37.730 38.487 0.047 0.000 1.122 434 N HN 0.209 nan 8.380 nan 0.000 0.561 435 R N 0.375 120.936 120.500 0.100 0.000 2.615 435 R HA 0.133 4.473 4.340 -0.000 0.000 0.270 435 R C 0.193 176.542 176.300 0.081 0.000 1.081 435 R CA -0.437 55.713 56.100 0.084 0.000 1.154 435 R CB 0.343 30.699 30.300 0.092 0.000 1.063 435 R HN 0.079 nan 8.270 nan 0.000 0.519 436 D N 2.299 122.704 120.400 0.009 0.000 2.551 436 D HA -0.038 4.602 4.640 -0.000 0.000 0.223 436 D C 0.800 177.052 176.300 -0.081 0.000 1.144 436 D CA -0.226 53.720 54.000 -0.090 0.000 1.025 436 D CB -0.061 40.688 40.800 -0.085 0.000 1.085 436 D HN 0.509 nan 8.370 nan 0.000 0.506 437 Y N 1.309 121.621 120.300 0.020 0.000 2.421 437 Y HA -0.025 4.525 4.550 -0.000 0.000 0.292 437 Y C 1.713 177.652 175.900 0.065 0.000 1.136 437 Y CA 0.381 58.504 58.100 0.038 0.000 1.255 437 Y CB -0.485 38.006 38.460 0.052 0.000 0.991 437 Y HN 0.302 nan 8.280 nan 0.000 0.552 438 L N -0.057 120.915 121.223 -0.418 0.000 2.056 438 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 438 L C 1.952 178.796 176.870 -0.044 0.000 1.078 438 L CA 2.030 56.712 54.840 -0.263 0.000 0.749 438 L CB -0.365 41.339 42.059 -0.592 0.000 0.901 438 L HN 0.365 nan 8.230 nan 0.000 0.433 439 T N -1.079 113.421 114.554 -0.090 0.000 2.852 439 T HA -0.101 4.249 4.350 -0.000 0.000 0.256 439 T C 1.431 176.134 174.700 0.006 0.000 1.038 439 T CA 0.879 62.957 62.100 -0.037 0.000 1.141 439 T CB -0.022 68.807 68.868 -0.065 0.000 0.869 439 T HN 0.339 nan 8.240 nan 0.000 0.439 440 E N 0.825 121.028 120.200 0.006 0.000 2.502 440 E HA 0.145 4.495 4.350 -0.000 0.000 0.194 440 E C 2.142 178.742 176.600 -0.001 0.000 1.062 440 E CA -0.027 56.378 56.400 0.008 0.000 0.867 440 E CB -0.146 29.565 29.700 0.018 0.000 0.888 440 E HN 0.478 nan 8.360 nan 0.000 0.510 441 G N 2.908 111.717 108.800 0.015 0.000 2.672 441 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 441 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 441 G C -0.859 173.861 174.900 -0.301 0.000 1.238 441 G CA 0.838 45.851 45.100 -0.145 0.000 0.791 441 G HN 0.244 nan 8.290 nan 0.000 0.606 442 P HA -0.146 nan 4.420 nan 0.000 0.217 442 P C 1.900 179.137 177.300 -0.105 0.000 1.162 442 P CA 1.640 64.615 63.100 -0.209 0.000 0.901 442 P CB 0.007 31.639 31.700 -0.113 0.000 0.793 443 E N -0.621 119.538 120.200 -0.069 0.000 2.058 443 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 443 E C 2.083 178.665 176.600 -0.031 0.000 0.997 443 E CA 1.114 57.492 56.400 -0.037 0.000 0.801 443 E CB -0.835 28.852 29.700 -0.022 0.000 0.746 443 E HN 0.271 nan 8.360 nan 0.000 0.450 444 I N 0.750 121.301 120.570 -0.031 0.000 2.208 444 I HA -0.317 3.852 4.170 -0.000 0.000 0.245 444 I C 2.460 178.565 176.117 -0.019 0.000 1.097 444 I CA 0.998 62.290 61.300 -0.013 0.000 1.363 444 I CB -0.328 37.678 38.000 0.010 0.000 1.051 444 I HN 0.090 nan 8.210 nan 0.000 0.413 445 L N -0.075 121.124 121.223 -0.039 0.000 2.044 445 L HA -0.166 4.174 4.340 -0.000 0.000 0.205 445 L C 2.747 179.608 176.870 -0.015 0.000 1.075 445 L CA 1.143 55.969 54.840 -0.024 0.000 0.747 445 L CB -0.621 41.420 42.059 -0.030 0.000 0.903 445 L HN 0.157 nan 8.230 nan 0.000 0.435 446 R N 0.396 120.883 120.500 -0.022 0.000 2.105 446 R HA -0.244 4.096 4.340 -0.000 0.000 0.239 446 R C 2.239 178.533 176.300 -0.011 0.000 1.135 446 R CA 1.741 57.832 56.100 -0.015 0.000 0.967 446 R CB -0.030 30.259 30.300 -0.020 0.000 0.861 446 R HN 0.236 nan 8.270 nan 0.000 0.442 447 E N -0.188 120.005 120.200 -0.011 0.000 2.107 447 E HA -0.060 4.290 4.350 -0.000 0.000 0.191 447 E C 1.566 178.162 176.600 -0.006 0.000 0.982 447 E CA 1.499 57.894 56.400 -0.007 0.000 0.809 447 E CB -0.121 29.576 29.700 -0.005 0.000 0.756 447 E HN 0.398 nan 8.360 nan 0.000 0.459 448 A N 0.456 123.273 122.820 -0.005 0.000 2.066 448 A HA 0.157 4.477 4.320 -0.000 0.000 0.218 448 A C 2.296 179.878 177.584 -0.003 0.000 1.157 448 A CA 1.293 53.327 52.037 -0.005 0.000 0.670 448 A CB -0.625 18.372 19.000 -0.005 0.000 0.804 448 A HN 0.348 nan 8.150 nan 0.000 0.453 449 A N 0.015 122.834 122.820 -0.002 0.000 2.121 449 A HA -0.085 4.234 4.320 -0.000 0.000 0.218 449 A C 2.008 179.591 177.584 -0.002 0.000 1.154 449 A CA 1.512 53.549 52.037 0.001 0.000 0.679 449 A CB -0.307 18.695 19.000 0.002 0.000 0.795 449 A HN 0.551 nan 8.150 nan 0.000 0.458 450 K N -0.756 119.641 120.400 -0.004 0.000 1.985 450 K HA -0.102 4.218 4.320 -0.000 0.000 0.210 450 K C 2.003 178.600 176.600 -0.005 0.000 1.047 450 K CA 1.885 58.169 56.287 -0.005 0.000 0.932 450 K CB -0.464 32.032 32.500 -0.005 0.000 0.716 450 K HN 0.440 nan 8.250 nan 0.000 0.439 451 T N 0.145 114.696 114.554 -0.005 0.000 2.867 451 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 451 T C 0.963 175.658 174.700 -0.007 0.000 1.057 451 T CA 0.643 62.740 62.100 -0.006 0.000 1.136 451 T CB -0.104 68.760 68.868 -0.007 0.000 0.874 451 T HN 0.230 nan 8.240 nan 0.000 0.466 452 C N 1.808 121.104 119.300 -0.006 0.000 2.322 452 C HA 0.715 5.175 4.460 -0.000 0.000 0.324 452 C C 1.989 176.979 174.990 -0.000 0.000 1.249 452 C CA -0.910 58.103 59.018 -0.007 0.000 1.453 452 C CB 0.210 27.943 27.740 -0.011 0.000 2.145 452 C HN 0.583 nan 8.230 nan 0.000 0.466 453 G N 3.259 112.058 108.800 -0.000 0.000 2.421 453 G HA2 0.013 3.973 3.960 -0.000 0.000 0.217 453 G HA3 0.013 3.973 3.960 -0.000 0.000 0.217 453 G C 1.584 176.503 174.900 0.032 0.000 1.143 453 G CA 1.017 46.123 45.100 0.009 0.000 0.784 453 G HN 1.060 nan 8.290 nan 0.000 0.541 454 A N 0.664 123.500 122.820 0.026 0.000 1.902 454 A HA 0.025 4.345 4.320 -0.000 0.000 0.217 454 A C 2.309 179.974 177.584 0.134 0.000 1.181 454 A CA 1.644 53.721 52.037 0.066 0.000 0.623 454 A CB -0.408 18.567 19.000 -0.042 0.000 0.818 454 A HN 0.454 nan 8.150 nan 0.000 0.443 455 L N -0.043 121.218 121.223 0.064 0.000 2.083 455 L HA -0.118 4.222 4.340 -0.000 0.000 0.209 455 L C 2.360 179.264 176.870 0.057 0.000 1.083 455 L CA 2.343 57.220 54.840 0.062 0.000 0.752 455 L CB -0.726 41.349 42.059 0.027 0.000 0.899 455 L HN 0.482 nan 8.230 nan 0.000 0.433 456 R N -1.022 119.500 120.500 0.036 0.000 2.097 456 R HA -0.195 4.145 4.340 -0.000 0.000 0.236 456 R C 2.060 178.355 176.300 -0.009 0.000 1.135 456 R CA 2.409 58.515 56.100 0.011 0.000 0.934 456 R CB -0.662 29.641 30.300 0.003 0.000 0.846 456 R HN 0.427 nan 8.270 nan 0.000 0.431 457 T N 0.607 115.159 114.554 -0.004 0.000 2.737 457 T HA -0.179 4.170 4.350 -0.000 0.000 0.269 457 T C 1.755 176.337 174.700 -0.198 0.000 1.040 457 T CA 1.421 63.460 62.100 -0.102 0.000 1.142 457 T CB -0.315 68.498 68.868 -0.091 0.000 0.861 457 T HN 0.509 nan 8.240 nan 0.000 0.456 458 A N 1.272 124.051 122.820 -0.067 0.000 1.873 458 A HA 0.053 4.373 4.320 -0.000 0.000 0.215 458 A C 2.280 179.877 177.584 0.022 0.000 1.186 458 A CA 1.075 53.109 52.037 -0.004 0.000 0.616 458 A CB -0.801 18.321 19.000 0.204 0.000 0.823 458 A HN 0.489 nan 8.150 nan 0.000 0.442 459 L N -0.314 120.928 121.223 0.032 0.000 2.187 459 L HA -0.195 4.145 4.340 -0.000 0.000 0.213 459 L C 1.782 178.638 176.870 -0.024 0.000 1.100 459 L CA 1.314 56.176 54.840 0.037 0.000 0.765 459 L CB -0.599 41.477 42.059 0.028 0.000 0.904 459 L HN 0.393 nan 8.230 nan 0.000 0.437 460 D N -0.233 120.114 120.400 -0.088 0.000 2.149 460 D HA -0.097 4.543 4.640 -0.000 0.000 0.206 460 D C 2.185 178.363 176.300 -0.202 0.000 0.967 460 D CA 0.551 54.477 54.000 -0.123 0.000 0.848 460 D CB -0.122 40.600 40.800 -0.129 0.000 0.998 460 D HN 0.203 nan 8.370 nan 0.000 0.474 461 L N 0.169 121.187 121.223 -0.343 0.000 1.934 461 L HA -0.162 4.178 4.340 -0.000 0.000 0.227 461 L C 0.831 177.386 176.870 -0.524 0.000 1.084 461 L CA 1.435 55.915 54.840 -0.600 0.000 0.790 461 L CB -0.100 41.294 42.059 -1.108 0.000 0.896 461 L HN 0.151 nan 8.230 nan 0.000 0.437 462 W N 1.139 122.315 121.300 -0.207 0.000 2.708 462 W HA 0.141 4.801 4.660 -0.000 0.000 0.440 462 W C 1.517 177.819 176.519 -0.363 0.000 0.688 462 W CA -0.325 56.813 57.345 -0.344 0.000 2.213 462 W CB -0.437 28.693 29.460 -0.551 0.000 1.209 462 W HN 0.390 nan 8.180 nan 0.000 0.783 463 K N 1.002 121.370 120.400 -0.054 0.000 2.031 463 K HA -0.155 4.165 4.320 -0.000 0.000 0.205 463 K C 0.282 176.898 176.600 0.027 0.000 1.049 463 K CA 1.776 58.061 56.287 -0.003 0.000 0.939 463 K CB 0.229 32.714 32.500 -0.025 0.000 0.717 463 K HN -0.022 nan 8.250 nan 0.000 0.438 464 D N 0.534 120.933 120.400 -0.001 0.000 2.368 464 D HA 0.109 4.749 4.640 -0.000 0.000 0.218 464 D C -0.380 175.917 176.300 -0.005 0.000 1.112 464 D CA -0.106 53.898 54.000 0.007 0.000 0.834 464 D CB 0.370 41.163 40.800 -0.012 0.000 0.953 464 D HN 0.074 nan 8.370 nan 0.000 0.505 465 I N 1.445 122.011 120.570 -0.007 0.000 2.587 465 I HA 0.151 4.321 4.170 -0.000 0.000 0.284 465 I C 0.645 176.737 176.117 -0.043 0.000 1.134 465 I CA 0.767 62.033 61.300 -0.057 0.000 1.410 465 I CB 0.227 38.196 38.000 -0.051 0.000 1.392 465 I HN -0.100 nan 8.210 nan 0.000 0.545 466 T N 7.009 121.410 114.554 -0.255 0.000 2.982 466 T HA 0.550 4.900 4.350 -0.000 0.000 0.321 466 T C -1.139 173.324 174.700 -0.395 0.000 1.229 466 T CA -0.354 61.618 62.100 -0.213 0.000 1.044 466 T CB 0.686 69.517 68.868 -0.061 0.000 1.184 466 T HN 0.156 nan 8.240 nan 0.000 0.477 467 F N 3.761 123.777 119.950 0.109 0.000 2.366 467 F HA 0.456 4.983 4.527 -0.000 0.000 0.357 467 F C 0.169 176.038 175.800 0.116 0.000 1.107 467 F CA -1.033 57.078 58.000 0.184 0.000 1.208 467 F CB 0.366 39.496 39.000 0.217 0.000 1.464 467 F HN 0.398 nan 8.300 nan 0.000 0.501 468 N N 2.617 121.302 118.700 -0.024 0.000 2.485 468 N HA 0.451 5.191 4.740 -0.000 0.000 0.243 468 N C -1.456 173.818 175.510 -0.393 0.000 0.987 468 N CA -0.431 52.550 53.050 -0.114 0.000 0.940 468 N CB 0.761 39.169 38.487 -0.132 0.000 1.122 468 N HN 0.262 nan 8.380 nan 0.000 0.509 469 Y N -0.491 119.849 120.300 0.065 0.000 2.534 469 Y HA 0.397 4.947 4.550 -0.000 0.000 0.345 469 Y C 0.503 176.420 175.900 0.028 0.000 1.031 469 Y CA -1.082 57.047 58.100 0.048 0.000 1.022 469 Y CB 1.380 39.871 38.460 0.052 0.000 1.292 469 Y HN 0.231 nan 8.280 nan 0.000 0.459 470 T N 1.256 115.914 114.554 0.172 0.000 2.906 470 T HA 0.120 4.470 4.350 -0.000 0.000 0.320 470 T C 0.085 174.843 174.700 0.096 0.000 1.088 470 T CA 0.031 62.191 62.100 0.101 0.000 1.120 470 T CB 0.232 69.147 68.868 0.080 0.000 1.000 470 T HN 0.543 nan 8.240 nan 0.000 0.550 471 S N 1.066 116.803 115.700 0.062 0.000 2.554 471 S HA 0.302 4.772 4.470 -0.000 0.000 0.278 471 S C 1.659 176.289 174.600 0.050 0.000 1.242 471 S CA -0.785 57.444 58.200 0.049 0.000 1.051 471 S CB 1.377 64.596 63.200 0.031 0.000 0.986 471 S HN 0.905 nan 8.310 nan 0.000 0.502 472 T N -1.289 113.294 114.554 0.049 0.000 3.010 472 T HA 0.058 4.408 4.350 -0.000 0.000 0.252 472 T C 0.368 175.111 174.700 0.071 0.000 1.047 472 T CA 0.329 62.462 62.100 0.054 0.000 1.140 472 T CB -0.216 68.679 68.868 0.046 0.000 0.885 472 T HN 0.495 nan 8.240 nan 0.000 0.464 473 D N 2.465 122.912 120.400 0.078 0.000 2.518 473 D HA 0.322 4.962 4.640 -0.000 0.000 0.230 473 D C -0.367 175.985 176.300 0.088 0.000 1.138 473 D CA -0.216 53.848 54.000 0.107 0.000 0.964 473 D CB 0.317 41.202 40.800 0.142 0.000 1.011 473 D HN 0.242 nan 8.370 nan 0.000 0.517 474 T N 0.397 115.000 114.554 0.081 0.000 2.884 474 T HA 0.371 4.721 4.350 -0.000 0.000 0.277 474 T C 0.179 174.929 174.700 0.084 0.000 0.976 474 T CA -0.815 61.322 62.100 0.061 0.000 0.956 474 T CB 1.365 70.263 68.868 0.050 0.000 1.113 474 T HN 0.186 nan 8.240 nan 0.000 0.554 475 S N -0.274 115.466 115.700 0.068 0.000 2.586 475 S HA 0.160 4.629 4.470 -0.000 0.000 0.274 475 S C 0.357 175.033 174.600 0.128 0.000 1.281 475 S CA -0.661 57.601 58.200 0.104 0.000 1.035 475 S CB 0.196 63.437 63.200 0.069 0.000 0.962 475 S HN 0.603 nan 8.310 nan 0.000 0.512 476 D N 2.418 122.950 120.400 0.221 0.000 2.367 476 D HA 0.092 4.732 4.640 -0.000 0.000 0.207 476 D C -0.367 175.825 176.300 -0.181 0.000 1.034 476 D CA 0.631 54.675 54.000 0.073 0.000 0.861 476 D CB 0.169 41.085 40.800 0.195 0.000 0.943 476 D HN 0.514 nan 8.370 nan 0.000 0.515 477 F N 1.254 121.221 119.950 0.027 0.000 2.893 477 F HA 0.186 4.713 4.527 -0.000 0.000 0.340 477 F C 0.380 176.171 175.800 -0.014 0.000 1.300 477 F CA -0.784 57.217 58.000 0.001 0.000 1.227 477 F CB 0.420 39.394 39.000 -0.043 0.000 1.044 477 F HN -0.302 nan 8.300 nan 0.000 0.512 478 V N 0.000 119.970 119.914 0.094 0.000 2.409 478 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 478 V CA 0.000 62.334 62.300 0.057 0.000 1.235 478 V CB 0.000 31.851 31.823 0.047 0.000 1.184 478 V HN 0.000 nan 8.190 nan 0.000 0.556