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 1yrq_1_K DATA FIRST_RESID 6 DATA SEQUENCE PTPQSTFTGP IVVDPITRIE GHLRIMVEVE NGKVKDAWSS SQLFRGLEII DATA SEQUENCE LKGRDPRDAQ HFTQRACGVC TYVHALASSR CVDDAVKVSI PANARMMRNL DATA SEQUENCE VMASQYLHDH LVHFYHLHAL DWVDVTAALK ADPNKAAKLA ASIAPARPGN DATA SEQUENCE SAKALKAVQD KLKAFVESGQ LGIFTNAYFL GGHKAYYLPP EVNLIATAHY DATA SEQUENCE LEALHMQVKA ASAMAILGGK NPHTQFTVVG GCSNYQGLTK DPLANYLALS DATA SEQUENCE KEVcQFVNEC YIPDLLAVAG FYKDWGGIGG TSNYLAFGEF ATDDSSPSKH DATA SEQUENCE LATSQFPSGV ITGRDLGKVD NVDLGAIYED VKYSWYAPGG DGKHPYDGVT DATA SEQUENCE DPKYTKLDDK DHYSWMKAPR YKGKAMEVGP LARTFIAYAK GQPDFKKVVD DATA SEQUENCE MVLGKLSVPA TALHSTLGRT AARGIETAIV cANMEKWIKE MADSGAKDNT DATA SEQUENCE LCAKWEMPEE SKGVGLADAP RGALSHWIRI KGKKIDNFQL VVPSTWNLGP DATA SEQUENCE RGAQGDKSPV EEALIGTPIA DPKRPVEILR TVHAFDPCIA CGVH 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 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.306 177.300 0.009 0.000 1.155 6 P CA 0.000 63.085 63.100 -0.025 0.000 0.800 6 P CB 0.000 31.687 31.700 -0.021 0.000 0.726 7 T N 4.078 118.670 114.554 0.064 0.000 2.769 7 T HA 0.325 4.675 4.350 -0.000 0.000 0.293 7 T C -2.088 172.706 174.700 0.157 0.000 0.931 7 T CA -0.434 61.760 62.100 0.158 0.000 1.139 7 T CB -0.059 68.883 68.868 0.124 0.000 0.881 7 T HN 0.199 nan 8.240 nan 0.000 0.532 8 P HA 0.142 nan 4.420 nan 0.000 0.265 8 P C -0.431 176.967 177.300 0.163 0.000 1.193 8 P CA -0.083 63.134 63.100 0.196 0.000 0.765 8 P CB 0.435 32.305 31.700 0.284 0.000 0.823 9 Q N 1.680 121.550 119.800 0.117 0.000 2.331 9 Q HA 0.306 4.646 4.340 -0.000 0.000 0.249 9 Q C -0.447 175.606 176.000 0.088 0.000 0.913 9 Q CA -0.424 55.440 55.803 0.102 0.000 0.874 9 Q CB 1.369 30.155 28.738 0.081 0.000 1.384 9 Q HN 0.602 nan 8.270 nan 0.000 0.427 10 S N 1.471 117.228 115.700 0.096 0.000 2.641 10 S HA 0.139 4.609 4.470 -0.000 0.000 0.251 10 S C 0.917 175.581 174.600 0.107 0.000 1.332 10 S CA 0.560 58.819 58.200 0.098 0.000 0.968 10 S CB 0.679 63.947 63.200 0.113 0.000 0.987 10 S HN 0.741 nan 8.310 nan 0.000 0.587 11 T N -2.246 112.375 114.554 0.112 0.000 3.186 11 T HA 0.260 4.610 4.350 -0.000 0.000 0.257 11 T C 0.024 174.791 174.700 0.112 0.000 1.029 11 T CA -0.567 61.586 62.100 0.089 0.000 0.916 11 T CB -0.920 67.982 68.868 0.057 0.000 1.041 11 T HN 0.509 nan 8.240 nan 0.000 0.562 12 F N 3.003 122.964 119.950 0.018 0.000 2.602 12 F HA 0.371 4.898 4.527 -0.000 0.000 0.367 12 F C -0.154 175.657 175.800 0.019 0.000 1.126 12 F CA 0.536 58.546 58.000 0.017 0.000 1.321 12 F CB 0.567 39.577 39.000 0.017 0.000 1.094 12 F HN 0.007 nan 8.300 nan 0.000 0.594 13 T N 4.758 118.760 114.554 -0.919 0.000 2.881 13 T HA 0.692 5.042 4.350 -0.000 0.000 0.291 13 T C -0.216 173.879 174.700 -1.007 0.000 0.990 13 T CA -0.130 61.543 62.100 -0.712 0.000 0.976 13 T CB 1.041 69.720 68.868 -0.316 0.000 0.970 13 T HN 1.148 nan 8.240 nan 0.000 0.438 14 G N 4.195 112.595 108.800 -0.667 0.000 2.356 14 G HA2 0.385 4.345 3.960 -0.000 0.000 0.288 14 G HA3 0.385 4.345 3.960 -0.000 0.000 0.288 14 G C -3.479 171.456 174.900 0.057 0.000 1.302 14 G CA -0.880 44.029 45.100 -0.319 0.000 0.887 14 G HN 0.529 nan 8.290 nan 0.000 0.521 15 P HA 0.708 nan 4.420 nan 0.000 0.287 15 P C -0.752 176.710 177.300 0.270 0.000 1.270 15 P CA -0.495 62.720 63.100 0.192 0.000 0.844 15 P CB 1.789 33.546 31.700 0.096 0.000 1.068 16 I N 1.319 122.011 120.570 0.204 0.000 2.499 16 I HA 0.322 4.492 4.170 -0.000 0.000 0.288 16 I C -0.487 175.697 176.117 0.112 0.000 1.048 16 I CA -1.161 60.219 61.300 0.133 0.000 1.062 16 I CB 2.528 40.587 38.000 0.098 0.000 1.238 16 I HN -0.025 nan 8.210 nan 0.000 0.426 17 V N 6.665 126.632 119.914 0.088 0.000 2.459 17 V HA 0.423 4.543 4.120 -0.000 0.000 0.295 17 V C -0.189 175.962 176.094 0.095 0.000 1.029 17 V CA -0.689 61.666 62.300 0.091 0.000 0.874 17 V CB 2.213 34.082 31.823 0.076 0.000 0.985 17 V HN 0.405 nan 8.190 nan 0.000 0.438 18 V N 3.699 123.678 119.914 0.109 0.000 2.334 18 V HA 0.578 4.697 4.120 -0.000 0.000 0.281 18 V C -0.760 175.408 176.094 0.122 0.000 1.016 18 V CA -0.283 62.087 62.300 0.117 0.000 0.832 18 V CB 1.413 33.310 31.823 0.122 0.000 0.999 18 V HN 0.927 nan 8.190 nan 0.000 0.439 19 D N 5.529 126.001 120.400 0.119 0.000 2.764 19 D HA 0.490 5.130 4.640 -0.000 0.000 0.227 19 D C -2.538 173.831 176.300 0.115 0.000 1.347 19 D CA -0.716 53.361 54.000 0.129 0.000 0.953 19 D CB 2.753 43.633 40.800 0.133 0.000 1.476 19 D HN 0.438 nan 8.370 nan 0.000 0.585 20 P HA 0.453 nan 4.420 nan 0.000 0.290 20 P C -0.177 177.195 177.300 0.120 0.000 1.275 20 P CA -0.705 62.478 63.100 0.138 0.000 0.841 20 P CB 1.215 33.003 31.700 0.147 0.000 1.042 21 I N 2.921 123.568 120.570 0.128 0.000 2.494 21 I HA 0.021 4.191 4.170 -0.000 0.000 0.289 21 I C 1.448 177.647 176.117 0.138 0.000 1.106 21 I CA 0.458 61.827 61.300 0.115 0.000 1.369 21 I CB -0.193 37.871 38.000 0.106 0.000 1.410 21 I HN 0.521 nan 8.210 nan 0.000 0.523 22 T N 3.683 118.320 114.554 0.139 0.000 2.849 22 T HA 0.443 4.793 4.350 -0.000 0.000 0.276 22 T C 0.776 175.606 174.700 0.217 0.000 0.971 22 T CA -0.770 61.407 62.100 0.128 0.000 0.949 22 T CB 0.875 69.781 68.868 0.062 0.000 1.093 22 T HN 0.619 nan 8.240 nan 0.000 0.545 23 R N -0.185 120.369 120.500 0.090 0.000 3.422 23 R HA -0.135 4.204 4.340 -0.000 0.000 0.267 23 R C -0.152 176.148 176.300 0.000 0.000 1.074 23 R CA 0.852 56.937 56.100 -0.025 0.000 0.718 23 R CB -2.216 27.966 30.300 -0.196 0.000 1.157 23 R HN 0.803 nan 8.270 nan 0.000 0.440 24 I N -4.732 115.907 120.570 0.115 0.000 3.279 24 I HA 0.530 4.700 4.170 -0.000 0.000 0.315 24 I C -0.235 175.936 176.117 0.089 0.000 1.187 24 I CA -1.242 60.150 61.300 0.153 0.000 0.953 24 I CB 1.977 40.106 38.000 0.215 0.000 1.279 24 I HN -0.221 nan 8.210 nan 0.000 0.465 25 E N 1.966 122.223 120.200 0.095 0.000 2.259 25 E HA 0.567 4.916 4.350 -0.000 0.000 0.281 25 E C 0.125 176.730 176.600 0.007 0.000 1.027 25 E CA 1.043 57.473 56.400 0.050 0.000 0.838 25 E CB 1.045 30.796 29.700 0.085 0.000 1.066 25 E HN 1.042 nan 8.360 nan 0.000 0.401 26 G N 4.237 112.961 108.800 -0.128 0.000 2.582 26 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.222 26 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.222 26 G C -1.005 173.676 174.900 -0.365 0.000 1.311 26 G CA -0.586 44.362 45.100 -0.253 0.000 0.915 26 G HN 0.683 nan 8.290 nan 0.000 0.528 27 H N -0.392 118.761 119.070 0.139 0.000 2.792 27 H HA 0.575 5.131 4.556 -0.000 0.000 0.298 27 H C -0.612 174.828 175.328 0.185 0.000 1.042 27 H CA -0.404 55.733 56.048 0.149 0.000 1.300 27 H CB 1.257 31.102 29.762 0.138 0.000 1.431 27 H HN 0.513 nan 8.280 nan 0.000 0.496 28 L N 3.184 124.556 121.223 0.247 0.000 2.346 28 L HA 0.444 4.784 4.340 -0.000 0.000 0.276 28 L C -0.134 176.867 176.870 0.218 0.000 1.006 28 L CA -0.625 54.353 54.840 0.230 0.000 0.817 28 L CB 1.689 43.857 42.059 0.181 0.000 1.272 28 L HN 0.509 nan 8.230 nan 0.000 0.421 29 R N 5.611 126.249 120.500 0.231 0.000 2.494 29 R HA 0.630 4.969 4.340 -0.000 0.000 0.305 29 R C -1.620 174.795 176.300 0.191 0.000 0.959 29 R CA -0.692 55.530 56.100 0.204 0.000 0.864 29 R CB 1.136 31.569 30.300 0.222 0.000 1.159 29 R HN 0.604 nan 8.270 nan 0.000 0.446 30 I N 5.332 125.999 120.570 0.161 0.000 2.404 30 I HA 0.337 4.507 4.170 -0.000 0.000 0.293 30 I C -0.527 175.685 176.117 0.158 0.000 0.992 30 I CA -1.003 60.393 61.300 0.160 0.000 1.149 30 I CB 1.750 39.828 38.000 0.130 0.000 1.315 30 I HN 0.734 nan 8.210 nan 0.000 0.446 31 M N 7.141 126.859 119.600 0.197 0.000 2.383 31 M HA 0.613 5.093 4.480 -0.000 0.000 0.325 31 M C -0.356 176.148 176.300 0.340 0.000 1.092 31 M CA -0.717 54.702 55.300 0.200 0.000 0.961 31 M CB 2.166 34.810 32.600 0.073 0.000 1.672 31 M HN 0.353 nan 8.290 nan 0.000 0.438 32 V N -1.611 118.470 119.914 0.279 0.000 3.040 32 V HA 0.752 4.872 4.120 -0.000 0.000 0.312 32 V C -0.946 175.327 176.094 0.298 0.000 1.115 32 V CA -0.737 61.740 62.300 0.296 0.000 0.998 32 V CB 2.328 34.256 31.823 0.174 0.000 1.042 32 V HN 0.745 nan 8.190 nan 0.000 0.433 33 E N 1.470 121.848 120.200 0.297 0.000 2.166 33 E HA 0.684 5.034 4.350 -0.000 0.000 0.275 33 E C -1.185 175.500 176.600 0.141 0.000 0.941 33 E CA -0.364 56.162 56.400 0.211 0.000 0.784 33 E CB 2.176 32.010 29.700 0.224 0.000 1.115 33 E HN 0.698 nan 8.360 nan 0.000 0.399 34 V N 2.042 122.035 119.914 0.131 0.000 2.628 34 V HA 0.442 4.562 4.120 -0.000 0.000 0.306 34 V C -0.107 175.995 176.094 0.014 0.000 1.045 34 V CA -0.814 61.557 62.300 0.120 0.000 0.905 34 V CB 2.102 34.093 31.823 0.281 0.000 0.997 34 V HN 0.599 nan 8.190 nan 0.000 0.436 35 E N 2.959 123.169 120.200 0.017 0.000 2.265 35 E HA 0.350 4.700 4.350 -0.000 0.000 0.262 35 E C -0.625 175.976 176.600 0.001 0.000 0.889 35 E CA -0.580 55.805 56.400 -0.024 0.000 0.789 35 E CB 0.841 30.531 29.700 -0.016 0.000 1.221 35 E HN 0.751 nan 8.360 nan 0.000 0.414 36 N N 3.174 121.867 118.700 -0.013 0.000 2.727 36 N HA -0.236 4.504 4.740 -0.000 0.000 0.249 36 N C 0.573 176.118 175.510 0.058 0.000 1.048 36 N CA 1.482 54.542 53.050 0.018 0.000 0.714 36 N CB -1.404 37.090 38.487 0.010 0.000 0.959 36 N HN 0.984 nan 8.380 nan 0.000 0.544 37 G N -1.440 107.423 108.800 0.106 0.000 2.162 37 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.260 37 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.260 37 G C -0.025 174.939 174.900 0.107 0.000 0.976 37 G CA 0.918 46.102 45.100 0.139 0.000 0.655 37 G HN 0.551 nan 8.290 nan 0.000 0.533 38 K N -0.090 120.358 120.400 0.081 0.000 2.378 38 K HA 0.578 4.898 4.320 -0.000 0.000 0.252 38 K C 0.192 176.828 176.600 0.060 0.000 0.931 38 K CA -0.921 55.401 56.287 0.059 0.000 0.794 38 K CB 2.792 35.309 32.500 0.028 0.000 1.181 38 K HN 0.014 nan 8.250 nan 0.000 0.425 39 V N 3.915 123.864 119.914 0.058 0.000 2.585 39 V HA -0.027 4.092 4.120 -0.000 0.000 0.296 39 V C 1.097 177.202 176.094 0.018 0.000 1.035 39 V CA 0.529 62.863 62.300 0.056 0.000 1.084 39 V CB 0.712 32.568 31.823 0.055 0.000 0.953 39 V HN 0.830 nan 8.190 nan 0.000 0.483 40 K N 1.729 122.136 120.400 0.012 0.000 2.380 40 K HA 0.345 4.665 4.320 -0.000 0.000 0.198 40 K C -0.106 176.450 176.600 -0.073 0.000 1.070 40 K CA -0.081 56.193 56.287 -0.020 0.000 1.040 40 K CB 0.797 33.294 32.500 -0.005 0.000 0.903 40 K HN 0.559 nan 8.250 nan 0.000 0.549 41 D N -0.171 120.170 120.400 -0.098 0.000 2.836 41 D HA 0.489 5.129 4.640 -0.000 0.000 0.215 41 D C -1.934 174.116 176.300 -0.417 0.000 1.255 41 D CA -0.290 53.524 54.000 -0.311 0.000 0.822 41 D CB 2.285 42.912 40.800 -0.289 0.000 1.656 41 D HN 0.236 nan 8.370 nan 0.000 0.511 42 A N 2.394 124.777 122.820 -0.729 0.000 2.454 42 A HA 0.842 5.162 4.320 -0.000 0.000 0.302 42 A C -1.491 175.632 177.584 -0.768 0.000 1.079 42 A CA -0.773 50.990 52.037 -0.457 0.000 0.731 42 A CB 1.804 20.693 19.000 -0.185 0.000 1.299 42 A HN 0.385 nan 8.150 nan 0.000 0.413 43 W N 0.702 121.917 121.300 -0.142 0.000 2.957 43 W HA 0.500 5.160 4.660 -0.000 0.000 0.336 43 W C -0.218 176.288 176.519 -0.021 0.000 1.087 43 W CA -0.519 56.690 57.345 -0.228 0.000 1.235 43 W CB 2.370 31.478 29.460 -0.587 0.000 1.399 43 W HN 0.684 nan 8.180 nan 0.000 0.480 44 S N 2.150 118.041 115.700 0.319 0.000 2.420 44 S HA 0.342 4.812 4.470 -0.000 0.000 0.313 44 S C -0.507 174.302 174.600 0.349 0.000 1.079 44 S CA -0.067 58.290 58.200 0.262 0.000 1.104 44 S CB 0.829 64.112 63.200 0.139 0.000 0.969 44 S HN 0.337 nan 8.310 nan 0.000 0.471 45 S N 4.331 120.217 115.700 0.310 0.000 2.601 45 S HA 0.482 4.952 4.470 -0.000 0.000 0.312 45 S C -0.471 174.317 174.600 0.314 0.000 1.107 45 S CA -0.595 57.794 58.200 0.314 0.000 1.129 45 S CB 0.403 63.806 63.200 0.339 0.000 0.982 45 S HN 0.670 nan 8.310 nan 0.000 0.469 46 S N 4.263 120.150 115.700 0.312 0.000 2.523 46 S HA 0.283 4.752 4.470 -0.000 0.000 0.275 46 S C 0.682 175.664 174.600 0.636 0.000 1.281 46 S CA -0.614 57.829 58.200 0.405 0.000 1.050 46 S CB 1.155 64.575 63.200 0.366 0.000 0.937 46 S HN 0.736 nan 8.310 nan 0.000 0.492 47 Q N 1.017 121.156 119.800 0.566 0.000 2.194 47 Q HA 0.313 4.652 4.340 -0.000 0.000 0.214 47 Q C -0.748 175.507 176.000 0.424 0.000 0.838 47 Q CA -0.021 56.125 55.803 0.572 0.000 0.972 47 Q CB 0.481 29.445 28.738 0.377 0.000 1.131 47 Q HN 0.556 nan 8.270 nan 0.000 0.498 48 L N -0.086 121.337 121.223 0.333 0.000 2.431 48 L HA 0.595 4.935 4.340 -0.000 0.000 0.266 48 L C -1.729 175.033 176.870 -0.181 0.000 0.978 48 L CA -0.880 53.962 54.840 0.003 0.000 0.822 48 L CB 1.828 43.938 42.059 0.084 0.000 1.310 48 L HN -0.109 nan 8.230 nan 0.000 0.409 49 F N 4.276 123.777 119.950 -0.748 0.000 2.520 49 F HA 0.639 5.166 4.527 -0.000 0.000 0.322 49 F C 0.498 176.049 175.800 -0.415 0.000 1.103 49 F CA -0.302 57.263 58.000 -0.725 0.000 0.926 49 F CB 1.922 40.011 39.000 -1.519 0.000 1.154 49 F HN 0.630 nan 8.300 nan 0.000 0.453 50 R N 2.285 122.150 120.500 -1.058 0.000 2.197 50 R HA 0.349 4.689 4.340 -0.000 0.000 0.188 50 R C 0.397 176.179 176.300 -0.864 0.000 1.015 50 R CA 0.288 55.979 56.100 -0.682 0.000 1.132 50 R CB 0.426 30.512 30.300 -0.357 0.000 1.134 50 R HN 0.934 nan 8.270 nan 0.000 0.560 51 G N 1.628 109.715 108.800 -1.190 0.000 2.270 51 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.224 51 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.224 51 G C 0.521 175.308 174.900 -0.188 0.000 1.079 51 G CA -0.043 44.661 45.100 -0.660 0.000 0.807 51 G HN 0.124 nan 8.290 nan 0.000 0.492 52 L N -0.630 120.503 121.223 -0.150 0.000 2.043 52 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 52 L C 2.757 179.603 176.870 -0.040 0.000 1.075 52 L CA 2.363 57.167 54.840 -0.061 0.000 0.752 52 L CB -0.400 41.627 42.059 -0.053 0.000 0.891 52 L HN 0.522 nan 8.230 nan 0.000 0.432 53 E N 0.128 120.356 120.200 0.048 0.000 2.204 53 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 53 E C 2.226 178.864 176.600 0.063 0.000 0.989 53 E CA 0.899 57.351 56.400 0.086 0.000 0.824 53 E CB -0.056 29.749 29.700 0.176 0.000 0.756 53 E HN 0.513 nan 8.360 nan 0.000 0.477 54 I N 0.680 121.298 120.570 0.079 0.000 2.353 54 I HA -0.218 3.952 4.170 -0.000 0.000 0.248 54 I C 2.216 178.332 176.117 -0.001 0.000 1.119 54 I CA 0.940 62.283 61.300 0.072 0.000 1.417 54 I CB -0.059 38.020 38.000 0.133 0.000 1.078 54 I HN 0.085 nan 8.210 nan 0.000 0.421 55 I N 0.315 120.860 120.570 -0.042 0.000 2.394 55 I HA -0.254 3.916 4.170 -0.000 0.000 0.251 55 I C 2.269 178.239 176.117 -0.245 0.000 1.136 55 I CA 1.255 62.496 61.300 -0.100 0.000 1.425 55 I CB -0.059 37.909 38.000 -0.054 0.000 1.079 55 I HN 0.199 nan 8.210 nan 0.000 0.425 56 L N 0.364 121.421 121.223 -0.275 0.000 2.291 56 L HA -0.099 4.241 4.340 -0.000 0.000 0.214 56 L C 1.366 178.114 176.870 -0.204 0.000 1.120 56 L CA 0.369 54.980 54.840 -0.381 0.000 0.799 56 L CB -0.340 41.482 42.059 -0.395 0.000 0.925 56 L HN 0.124 nan 8.230 nan 0.000 0.446 57 K N 0.547 120.891 120.400 -0.093 0.000 2.511 57 K HA 0.021 4.341 4.320 -0.000 0.000 0.280 57 K C 1.096 177.666 176.600 -0.050 0.000 1.008 57 K CA 0.907 57.175 56.287 -0.031 0.000 1.050 57 K CB 0.223 32.725 32.500 0.003 0.000 0.889 57 K HN 0.259 nan 8.250 nan 0.000 0.484 58 G N 3.311 112.097 108.800 -0.023 0.000 2.205 58 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.261 58 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.261 58 G C 0.163 175.042 174.900 -0.035 0.000 0.980 58 G CA 0.301 45.389 45.100 -0.020 0.000 0.632 58 G HN 0.650 nan 8.290 nan 0.000 0.533 59 R N 0.240 120.693 120.500 -0.078 0.000 2.549 59 R HA 0.440 4.780 4.340 -0.000 0.000 0.259 59 R C -0.340 175.938 176.300 -0.035 0.000 1.095 59 R CA -0.584 55.461 56.100 -0.092 0.000 1.148 59 R CB 0.339 30.498 30.300 -0.235 0.000 1.181 59 R HN 0.170 nan 8.270 nan 0.000 0.571 60 D N 1.091 121.488 120.400 -0.004 0.000 2.371 60 D HA 0.042 4.682 4.640 -0.000 0.000 0.256 60 D C -1.699 174.630 176.300 0.048 0.000 1.193 60 D CA -1.958 52.070 54.000 0.046 0.000 0.881 60 D CB 1.278 42.123 40.800 0.074 0.000 1.143 60 D HN 0.108 nan 8.370 nan 0.000 0.473 61 P HA -0.108 nan 4.420 nan 0.000 0.218 61 P C 1.097 178.436 177.300 0.064 0.000 1.146 61 P CA 1.073 64.223 63.100 0.084 0.000 0.813 61 P CB 0.226 31.989 31.700 0.105 0.000 0.778 62 R N -0.777 119.783 120.500 0.099 0.000 2.189 62 R HA -0.094 4.246 4.340 -0.000 0.000 0.223 62 R C 1.354 177.728 176.300 0.122 0.000 1.092 62 R CA 1.083 57.246 56.100 0.105 0.000 0.989 62 R CB -0.528 29.886 30.300 0.191 0.000 0.876 62 R HN 0.227 nan 8.270 nan 0.000 0.457 63 D N 0.279 120.761 120.400 0.138 0.000 2.289 63 D HA 0.010 4.650 4.640 -0.000 0.000 0.207 63 D C 1.685 178.100 176.300 0.190 0.000 0.966 63 D CA 0.749 54.897 54.000 0.247 0.000 0.868 63 D CB 0.029 40.973 40.800 0.241 0.000 0.943 63 D HN 0.174 nan 8.370 nan 0.000 0.514 64 A N 1.445 124.258 122.820 -0.012 0.000 1.908 64 A HA -0.286 4.034 4.320 -0.000 0.000 0.218 64 A C 2.136 179.633 177.584 -0.146 0.000 1.181 64 A CA 2.121 54.035 52.037 -0.205 0.000 0.627 64 A CB -0.800 17.962 19.000 -0.397 0.000 0.818 64 A HN 0.414 nan 8.150 nan 0.000 0.445 65 Q N -1.474 118.230 119.800 -0.161 0.000 2.226 65 Q HA -0.207 4.133 4.340 -0.000 0.000 0.204 65 Q C 1.698 177.543 176.000 -0.259 0.000 0.975 65 Q CA 1.653 57.322 55.803 -0.223 0.000 0.866 65 Q CB -0.589 27.937 28.738 -0.354 0.000 0.915 65 Q HN 0.780 nan 8.270 nan 0.000 0.440 66 H N -0.747 118.323 119.070 0.001 0.000 2.436 66 H HA 0.008 4.564 4.556 -0.000 0.000 0.294 66 H C 1.462 176.703 175.328 -0.146 0.000 1.048 66 H CA 1.035 57.037 56.048 -0.076 0.000 1.353 66 H CB -0.114 29.597 29.762 -0.085 0.000 1.414 66 H HN 0.305 nan 8.280 nan 0.000 0.536 67 F N 1.306 121.214 119.950 -0.070 0.000 2.128 67 F HA -0.158 4.369 4.527 -0.000 0.000 0.295 67 F C 2.921 178.614 175.800 -0.178 0.000 1.100 67 F CA 1.719 59.640 58.000 -0.131 0.000 1.260 67 F CB -0.541 38.356 39.000 -0.170 0.000 1.009 67 F HN 0.174 nan 8.300 nan 0.000 0.476 68 T N -2.281 112.263 114.554 -0.018 0.000 2.951 68 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 68 T C 1.844 176.511 174.700 -0.056 0.000 1.073 68 T CA 1.199 63.248 62.100 -0.086 0.000 1.134 68 T CB -0.574 68.282 68.868 -0.021 0.000 0.884 68 T HN 0.349 nan 8.240 nan 0.000 0.479 69 Q N 0.575 120.354 119.800 -0.035 0.000 2.181 69 Q HA -0.105 4.235 4.340 -0.000 0.000 0.205 69 Q C 2.005 177.936 176.000 -0.115 0.000 0.980 69 Q CA 1.195 56.983 55.803 -0.026 0.000 0.862 69 Q CB -0.061 28.610 28.738 -0.112 0.000 0.905 69 Q HN 0.338 nan 8.270 nan 0.000 0.429 70 R N -0.377 119.998 120.500 -0.210 0.000 2.323 70 R HA 0.103 4.443 4.340 -0.000 0.000 0.198 70 R C 1.633 177.911 176.300 -0.037 0.000 0.988 70 R CA 0.680 56.698 56.100 -0.135 0.000 1.041 70 R CB -0.435 29.774 30.300 -0.152 0.000 0.926 70 R HN 0.331 nan 8.270 nan 0.000 0.476 71 A N -0.602 122.144 122.820 -0.122 0.000 1.986 71 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 71 A C 0.858 178.456 177.584 0.023 0.000 1.171 71 A CA 1.328 53.272 52.037 -0.154 0.000 0.640 71 A CB -0.135 18.517 19.000 -0.579 0.000 0.811 71 A HN 0.406 nan 8.150 nan 0.000 0.451 72 C N -3.473 115.914 119.300 0.146 0.000 3.046 72 C HA 0.578 5.038 4.460 -0.000 0.000 0.388 72 C C 1.174 176.354 174.990 0.316 0.000 1.041 72 C CA -0.210 58.947 59.018 0.233 0.000 1.241 72 C CB 0.979 28.892 27.740 0.288 0.000 1.638 72 C HN 0.539 nan 8.230 nan 0.000 0.539 73 G N 2.643 111.565 108.800 0.203 0.000 3.126 73 G HA2 0.232 4.192 3.960 -0.000 0.000 0.224 73 G HA3 0.232 4.192 3.960 -0.000 0.000 0.224 73 G C 0.917 175.843 174.900 0.044 0.000 1.142 73 G CA 0.913 46.040 45.100 0.045 0.000 0.759 73 G HN 0.691 nan 8.290 nan 0.000 0.550 74 V N 1.143 121.125 119.914 0.114 0.000 2.374 74 V HA -0.064 4.056 4.120 -0.000 0.000 0.241 74 V C 2.238 178.430 176.094 0.163 0.000 1.034 74 V CA 1.441 63.819 62.300 0.131 0.000 1.037 74 V CB -0.287 31.614 31.823 0.131 0.000 0.682 74 V HN 0.583 nan 8.190 nan 0.000 0.463 75 C N 1.198 120.603 119.300 0.176 0.000 3.089 75 C HA 0.415 4.875 4.460 -0.000 0.000 0.548 75 C C 1.129 176.252 174.990 0.220 0.000 1.205 75 C CA -1.012 58.111 59.018 0.175 0.000 1.398 75 C CB -2.373 25.448 27.740 0.136 0.000 1.764 75 C HN 0.430 nan 8.230 nan 0.000 0.638 76 T N -0.154 114.533 114.554 0.221 0.000 2.795 76 T HA 0.197 4.547 4.350 -0.000 0.000 0.314 76 T C 0.536 175.448 174.700 0.352 0.000 1.069 76 T CA 1.601 63.877 62.100 0.293 0.000 1.071 76 T CB 0.148 69.122 68.868 0.177 0.000 0.988 76 T HN 1.422 nan 8.240 nan 0.000 0.543 77 Y N 1.101 121.534 120.300 0.221 0.000 2.802 77 Y HA -0.382 4.168 4.550 -0.000 0.000 0.485 77 Y C 1.571 177.530 175.900 0.098 0.000 1.190 77 Y CA 3.280 61.480 58.100 0.168 0.000 2.757 77 Y CB -2.112 36.446 38.460 0.163 0.000 0.919 77 Y HN 0.497 nan 8.280 nan 0.000 0.540 78 V N -0.955 118.882 119.914 -0.129 0.000 2.490 78 V HA -0.204 3.916 4.120 -0.000 0.000 0.250 78 V C 2.228 178.059 176.094 -0.440 0.000 1.061 78 V CA 2.522 64.594 62.300 -0.379 0.000 1.064 78 V CB -0.884 30.824 31.823 -0.190 0.000 0.670 78 V HN 0.686 nan 8.190 nan 0.000 0.461 79 H N 0.975 119.956 119.070 -0.149 0.000 2.395 79 H HA 0.170 4.726 4.556 -0.000 0.000 0.299 79 H C 2.556 177.781 175.328 -0.172 0.000 1.070 79 H CA 1.706 57.690 56.048 -0.108 0.000 1.356 79 H CB -0.281 29.544 29.762 0.105 0.000 1.401 79 H HN 0.587 nan 8.280 nan 0.000 0.524 80 A N 1.265 124.037 122.820 -0.081 0.000 1.940 80 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 80 A C 2.488 179.880 177.584 -0.320 0.000 1.176 80 A CA 1.342 53.273 52.037 -0.175 0.000 0.631 80 A CB -0.669 18.263 19.000 -0.114 0.000 0.814 80 A HN 0.283 nan 8.150 nan 0.000 0.446 81 L N -0.394 120.506 121.223 -0.538 0.000 2.005 81 L HA 0.034 4.374 4.340 -0.000 0.000 0.207 81 L C 2.698 179.308 176.870 -0.434 0.000 1.072 81 L CA 2.182 56.689 54.840 -0.555 0.000 0.744 81 L CB -0.986 40.597 42.059 -0.794 0.000 0.895 81 L HN 0.323 nan 8.230 nan 0.000 0.433 82 A N -1.253 121.257 122.820 -0.516 0.000 1.892 82 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 82 A C 2.442 179.772 177.584 -0.423 0.000 1.188 82 A CA 2.318 53.986 52.037 -0.614 0.000 0.631 82 A CB -1.200 17.125 19.000 -1.124 0.000 0.822 82 A HN 0.533 nan 8.150 nan 0.000 0.447 83 S N -0.314 115.249 115.700 -0.229 0.000 2.382 83 S HA -0.100 4.370 4.470 -0.000 0.000 0.228 83 S C 2.327 176.907 174.600 -0.034 0.000 1.027 83 S CA 1.409 59.707 58.200 0.163 0.000 0.991 83 S CB -0.261 63.097 63.200 0.263 0.000 0.823 83 S HN 0.656 nan 8.310 nan 0.000 0.469 84 S N 1.146 116.744 115.700 -0.170 0.000 2.355 84 S HA 0.011 4.481 4.470 -0.000 0.000 0.222 84 S C 1.918 176.385 174.600 -0.222 0.000 1.031 84 S CA 0.766 58.837 58.200 -0.214 0.000 0.993 84 S CB -0.156 62.889 63.200 -0.260 0.000 0.859 84 S HN 0.430 nan 8.310 nan 0.000 0.453 85 R N 0.205 120.559 120.500 -0.243 0.000 2.096 85 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 85 R C 2.722 178.885 176.300 -0.227 0.000 1.127 85 R CA 1.410 57.362 56.100 -0.247 0.000 0.968 85 R CB -0.846 29.273 30.300 -0.303 0.000 0.861 85 R HN 0.514 nan 8.270 nan 0.000 0.440 86 C N 0.224 119.398 119.300 -0.210 0.000 2.436 86 C HA -0.053 4.406 4.460 -0.000 0.000 0.277 86 C C 2.571 177.484 174.990 -0.128 0.000 1.241 86 C CA 0.684 59.591 59.018 -0.184 0.000 1.721 86 C CB -0.706 26.947 27.740 -0.144 0.000 2.043 86 C HN 0.282 nan 8.230 nan 0.000 0.472 87 V N 1.418 121.272 119.914 -0.100 0.000 2.427 87 V HA -0.126 3.994 4.120 -0.000 0.000 0.248 87 V C 2.309 178.277 176.094 -0.211 0.000 1.051 87 V CA 2.345 64.572 62.300 -0.122 0.000 1.048 87 V CB -0.815 30.936 31.823 -0.119 0.000 0.666 87 V HN 0.515 nan 8.190 nan 0.000 0.456 88 D N 0.201 120.456 120.400 -0.242 0.000 2.158 88 D HA -0.216 4.424 4.640 -0.000 0.000 0.197 88 D C 1.915 178.120 176.300 -0.159 0.000 0.995 88 D CA 1.878 55.729 54.000 -0.247 0.000 0.846 88 D CB -0.193 40.476 40.800 -0.217 0.000 0.941 88 D HN 0.549 nan 8.370 nan 0.000 0.456 89 D N -0.227 120.093 120.400 -0.133 0.000 2.194 89 D HA 0.031 4.671 4.640 -0.000 0.000 0.204 89 D C 1.912 178.179 176.300 -0.055 0.000 0.964 89 D CA 1.106 55.052 54.000 -0.090 0.000 0.846 89 D CB 0.005 40.743 40.800 -0.104 0.000 0.962 89 D HN 0.059 nan 8.370 nan 0.000 0.490 90 A N 0.147 122.934 122.820 -0.056 0.000 1.933 90 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 90 A C 2.207 179.789 177.584 -0.004 0.000 1.175 90 A CA 1.870 53.894 52.037 -0.023 0.000 0.628 90 A CB -0.655 18.338 19.000 -0.012 0.000 0.814 90 A HN 0.389 nan 8.150 nan 0.000 0.444 91 V N -5.441 114.463 119.914 -0.017 0.000 3.621 91 V HA 0.265 4.385 4.120 -0.000 0.000 0.285 91 V C 0.193 176.321 176.094 0.057 0.000 1.346 91 V CA 0.252 62.586 62.300 0.056 0.000 1.104 91 V CB -0.440 31.457 31.823 0.123 0.000 0.913 91 V HN 0.349 nan 8.190 nan 0.000 0.432 92 K N -0.082 120.322 120.400 0.007 0.000 3.162 92 K HA -0.128 4.192 4.320 -0.000 0.000 0.268 92 K C -0.368 176.248 176.600 0.027 0.000 1.062 92 K CA 0.992 57.286 56.287 0.012 0.000 0.769 92 K CB -2.097 30.420 32.500 0.027 0.000 1.274 92 K HN 0.670 nan 8.250 nan 0.000 0.478 93 V N 0.289 120.203 119.914 -0.000 0.000 2.547 93 V HA 0.515 4.635 4.120 -0.000 0.000 0.299 93 V C -0.162 175.921 176.094 -0.018 0.000 1.040 93 V CA -0.417 61.894 62.300 0.018 0.000 0.913 93 V CB 2.009 33.849 31.823 0.029 0.000 0.992 93 V HN 0.398 nan 8.190 nan 0.000 0.449 94 S N 6.919 122.621 115.700 0.004 0.000 2.422 94 S HA 0.523 4.993 4.470 -0.000 0.000 0.308 94 S C -0.195 174.401 174.600 -0.007 0.000 1.097 94 S CA -0.823 57.372 58.200 -0.008 0.000 1.099 94 S CB 0.264 63.467 63.200 0.004 0.000 0.976 94 S HN 0.797 nan 8.310 nan 0.000 0.471 95 I N 3.146 123.698 120.570 -0.029 0.000 2.779 95 I HA 0.519 4.689 4.170 -0.000 0.000 0.285 95 I C -2.441 173.671 176.117 -0.008 0.000 1.134 95 I CA -2.063 59.221 61.300 -0.027 0.000 1.398 95 I CB -0.106 37.858 38.000 -0.060 0.000 1.404 95 I HN 0.329 nan 8.210 nan 0.000 0.587 96 P HA 0.152 nan 4.420 nan 0.000 0.272 96 P C 0.363 177.667 177.300 0.005 0.000 1.223 96 P CA -0.227 62.881 63.100 0.013 0.000 0.784 96 P CB 1.089 32.806 31.700 0.027 0.000 0.923 97 A N 2.773 125.600 122.820 0.012 0.000 1.903 97 A HA -0.292 4.028 4.320 -0.000 0.000 0.219 97 A C 1.925 179.511 177.584 0.004 0.000 1.191 97 A CA 2.071 54.113 52.037 0.009 0.000 0.638 97 A CB -1.428 17.582 19.000 0.017 0.000 0.823 97 A HN 0.567 nan 8.150 nan 0.000 0.451 98 N N 0.156 118.862 118.700 0.010 0.000 2.205 98 N HA -0.121 4.618 4.740 -0.000 0.000 0.186 98 N C 1.766 177.271 175.510 -0.008 0.000 1.015 98 N CA 1.540 54.592 53.050 0.004 0.000 0.862 98 N CB -0.511 37.984 38.487 0.013 0.000 0.986 98 N HN 0.549 nan 8.380 nan 0.000 0.429 99 A N 1.100 123.912 122.820 -0.013 0.000 1.898 99 A HA -0.058 4.262 4.320 -0.000 0.000 0.214 99 A C 2.251 179.827 177.584 -0.014 0.000 1.183 99 A CA 0.894 52.919 52.037 -0.020 0.000 0.622 99 A CB -0.375 18.599 19.000 -0.042 0.000 0.824 99 A HN 0.226 nan 8.150 nan 0.000 0.444 100 R N -0.460 120.027 120.500 -0.021 0.000 2.083 100 R HA -0.159 4.181 4.340 -0.000 0.000 0.237 100 R C 2.072 178.350 176.300 -0.036 0.000 1.137 100 R CA 2.131 58.214 56.100 -0.027 0.000 0.951 100 R CB -0.378 29.907 30.300 -0.025 0.000 0.851 100 R HN 0.537 nan 8.270 nan 0.000 0.434 101 M N 0.025 119.603 119.600 -0.037 0.000 2.117 101 M HA -0.183 4.297 4.480 -0.000 0.000 0.262 101 M C 2.568 178.836 176.300 -0.053 0.000 1.065 101 M CA 1.879 57.143 55.300 -0.060 0.000 1.114 101 M CB -0.260 32.322 32.600 -0.029 0.000 1.361 101 M HN 0.317 nan 8.290 nan 0.000 0.408 102 M N 0.089 119.679 119.600 -0.016 0.000 2.156 102 M HA -0.155 4.325 4.480 -0.000 0.000 0.264 102 M C 2.150 178.499 176.300 0.082 0.000 1.067 102 M CA 1.709 57.006 55.300 -0.005 0.000 1.131 102 M CB -0.063 32.554 32.600 0.029 0.000 1.368 102 M HN 0.067 nan 8.290 nan 0.000 0.416 103 R N 0.248 120.832 120.500 0.139 0.000 2.073 103 R HA -0.122 4.218 4.340 -0.000 0.000 0.234 103 R C 1.808 178.201 176.300 0.155 0.000 1.134 103 R CA 1.855 58.094 56.100 0.232 0.000 0.952 103 R CB -0.563 29.815 30.300 0.130 0.000 0.850 103 R HN 0.465 nan 8.270 nan 0.000 0.433 104 N N 0.654 119.365 118.700 0.019 0.000 2.188 104 N HA -0.101 4.639 4.740 -0.000 0.000 0.184 104 N C 1.798 177.278 175.510 -0.051 0.000 1.018 104 N CA 0.933 53.957 53.050 -0.043 0.000 0.858 104 N CB -0.186 38.203 38.487 -0.162 0.000 0.989 104 N HN 0.162 nan 8.380 nan 0.000 0.426 105 L N 0.141 121.315 121.223 -0.082 0.000 2.017 105 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 105 L C 2.057 178.954 176.870 0.045 0.000 1.073 105 L CA 0.828 55.668 54.840 0.000 0.000 0.745 105 L CB -0.362 41.707 42.059 0.016 0.000 0.894 105 L HN -0.004 nan 8.230 nan 0.000 0.432 106 V N -0.680 119.184 119.914 -0.083 0.000 2.407 106 V HA -0.326 3.794 4.120 -0.000 0.000 0.248 106 V C 2.399 178.412 176.094 -0.135 0.000 1.055 106 V CA 1.791 63.937 62.300 -0.256 0.000 1.049 106 V CB -0.414 31.017 31.823 -0.653 0.000 0.662 106 V HN 0.442 nan 8.190 nan 0.000 0.455 107 M N 1.177 120.838 119.600 0.102 0.000 2.108 107 M HA -0.099 4.381 4.480 -0.000 0.000 0.261 107 M C 2.073 178.551 176.300 0.298 0.000 1.066 107 M CA 2.212 57.698 55.300 0.309 0.000 1.107 107 M CB -0.866 31.856 32.600 0.203 0.000 1.356 107 M HN 0.247 nan 8.290 nan 0.000 0.406 108 A N -1.210 121.770 122.820 0.267 0.000 1.883 108 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 108 A C 2.320 180.034 177.584 0.217 0.000 1.186 108 A CA 2.321 54.480 52.037 0.204 0.000 0.624 108 A CB -1.265 17.792 19.000 0.095 0.000 0.822 108 A HN 0.582 nan 8.150 nan 0.000 0.444 109 S N -0.915 114.893 115.700 0.180 0.000 2.382 109 S HA -0.188 4.282 4.470 -0.000 0.000 0.228 109 S C 2.155 176.866 174.600 0.185 0.000 1.027 109 S CA 1.662 59.954 58.200 0.152 0.000 0.991 109 S CB -0.249 63.031 63.200 0.134 0.000 0.823 109 S HN 0.707 nan 8.310 nan 0.000 0.469 110 Q N 0.224 120.149 119.800 0.208 0.000 2.079 110 Q HA -0.098 4.241 4.340 -0.000 0.000 0.200 110 Q C 1.570 177.739 176.000 0.281 0.000 0.974 110 Q CA 1.614 57.566 55.803 0.248 0.000 0.840 110 Q CB -0.579 28.332 28.738 0.288 0.000 0.898 110 Q HN 0.542 nan 8.270 nan 0.000 0.430 111 Y N 0.362 120.716 120.300 0.090 0.000 2.114 111 Y HA -0.250 4.300 4.550 -0.000 0.000 0.282 111 Y C 2.022 177.895 175.900 -0.045 0.000 1.165 111 Y CA 1.635 59.695 58.100 -0.066 0.000 1.148 111 Y CB -0.493 38.016 38.460 0.081 0.000 0.972 111 Y HN 0.131 nan 8.280 nan 0.000 0.504 112 L N -1.539 119.849 121.223 0.275 0.000 2.027 112 L HA -0.262 4.078 4.340 -0.000 0.000 0.206 112 L C 2.587 179.587 176.870 0.216 0.000 1.074 112 L CA 1.821 56.809 54.840 0.245 0.000 0.745 112 L CB -0.942 41.238 42.059 0.202 0.000 0.898 112 L HN 0.361 nan 8.230 nan 0.000 0.433 113 H N 0.251 119.398 119.070 0.128 0.000 2.290 113 H HA -0.236 4.320 4.556 -0.000 0.000 0.298 113 H C 1.906 177.310 175.328 0.127 0.000 1.087 113 H CA 2.243 58.357 56.048 0.109 0.000 1.291 113 H CB 0.070 29.880 29.762 0.081 0.000 1.369 113 H HN 0.307 nan 8.280 nan 0.000 0.492 114 D N -0.328 120.168 120.400 0.160 0.000 2.097 114 D HA -0.161 4.479 4.640 -0.000 0.000 0.195 114 D C 2.139 178.545 176.300 0.178 0.000 0.989 114 D CA 1.100 55.179 54.000 0.130 0.000 0.827 114 D CB -0.224 40.628 40.800 0.086 0.000 0.966 114 D HN 0.454 nan 8.370 nan 0.000 0.456 115 H N 0.349 119.486 119.070 0.113 0.000 2.353 115 H HA -0.001 4.555 4.556 -0.000 0.000 0.300 115 H C 2.378 177.707 175.328 0.001 0.000 1.090 115 H CA 0.469 56.596 56.048 0.131 0.000 1.327 115 H CB -0.668 29.234 29.762 0.233 0.000 1.383 115 H HN 0.180 nan 8.280 nan 0.000 0.508 116 L N -0.293 120.976 121.223 0.077 0.000 1.989 116 L HA -0.183 4.157 4.340 -0.000 0.000 0.211 116 L C 2.501 179.374 176.870 0.005 0.000 1.071 116 L CA 1.062 55.870 54.840 -0.054 0.000 0.749 116 L CB -0.393 41.717 42.059 0.086 0.000 0.890 116 L HN 0.113 nan 8.230 nan 0.000 0.431 117 V N -0.868 119.039 119.914 -0.011 0.000 2.343 117 V HA -0.342 3.777 4.120 -0.000 0.000 0.247 117 V C 2.466 178.605 176.094 0.075 0.000 1.051 117 V CA 1.928 64.270 62.300 0.071 0.000 1.036 117 V CB -0.878 30.927 31.823 -0.030 0.000 0.654 117 V HN 0.558 nan 8.190 nan 0.000 0.451 118 H N -0.821 118.271 119.070 0.036 0.000 2.321 118 H HA -0.230 4.326 4.556 -0.000 0.000 0.300 118 H C 2.290 177.643 175.328 0.042 0.000 1.087 118 H CA 2.414 58.496 56.048 0.057 0.000 1.319 118 H CB -0.141 29.687 29.762 0.110 0.000 1.379 118 H HN 0.433 nan 8.280 nan 0.000 0.501 119 F N 0.709 120.533 119.950 -0.210 0.000 2.102 119 F HA -0.208 4.319 4.527 -0.000 0.000 0.298 119 F C 1.906 177.455 175.800 -0.419 0.000 1.105 119 F CA 1.514 59.304 58.000 -0.351 0.000 1.239 119 F CB -0.807 37.844 39.000 -0.582 0.000 0.991 119 F HN 0.099 nan 8.300 nan 0.000 0.474 120 Y N -1.128 118.909 120.300 -0.438 0.000 2.243 120 Y HA -0.099 4.451 4.550 -0.000 0.000 0.293 120 Y C 2.284 177.892 175.900 -0.487 0.000 1.124 120 Y CA 1.963 59.706 58.100 -0.595 0.000 1.159 120 Y CB -0.384 37.606 38.460 -0.784 0.000 1.008 120 Y HN 0.142 nan 8.280 nan 0.000 0.527 121 H N -1.942 117.089 119.070 -0.065 0.000 2.750 121 H HA 0.188 4.743 4.556 -0.000 0.000 0.263 121 H C 1.470 176.765 175.328 -0.056 0.000 0.964 121 H CA 0.377 56.363 56.048 -0.104 0.000 1.205 121 H CB 0.487 30.127 29.762 -0.204 0.000 1.454 121 H HN 0.188 nan 8.280 nan 0.000 0.503 122 L N -1.400 119.764 121.223 -0.098 0.000 2.433 122 L HA 0.105 4.445 4.340 -0.000 0.000 0.200 122 L C 1.913 178.542 176.870 -0.401 0.000 1.059 122 L CA 0.642 55.328 54.840 -0.256 0.000 0.835 122 L CB -0.103 41.790 42.059 -0.277 0.000 1.076 122 L HN 0.330 nan 8.230 nan 0.000 0.481 123 H N -0.093 118.648 119.070 -0.547 0.000 2.476 123 H HA 0.127 4.683 4.556 -0.000 0.000 0.292 123 H C 2.249 177.476 175.328 -0.168 0.000 1.019 123 H CA 0.724 56.544 56.048 -0.380 0.000 1.330 123 H CB 0.650 30.200 29.762 -0.353 0.000 1.451 123 H HN 0.250 nan 8.280 nan 0.000 0.535 124 A N 1.155 123.830 122.820 -0.241 0.000 1.978 124 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 124 A C 2.150 179.732 177.584 -0.004 0.000 1.170 124 A CA 0.984 52.868 52.037 -0.255 0.000 0.636 124 A CB -0.725 18.032 19.000 -0.404 0.000 0.810 124 A HN 0.424 nan 8.150 nan 0.000 0.448 125 L N -0.497 120.771 121.223 0.074 0.000 2.549 125 L HA -0.110 4.230 4.340 -0.000 0.000 0.229 125 L C 1.116 178.116 176.870 0.217 0.000 1.158 125 L CA 0.639 55.604 54.840 0.209 0.000 0.842 125 L CB -0.472 41.776 42.059 0.315 0.000 0.952 125 L HN 0.276 nan 8.230 nan 0.000 0.452 126 D N -1.063 119.298 120.400 -0.065 0.000 2.305 126 D HA -0.086 4.554 4.640 -0.000 0.000 0.206 126 D C 1.551 177.256 176.300 -0.992 0.000 0.974 126 D CA 0.960 54.690 54.000 -0.450 0.000 0.871 126 D CB 0.133 40.521 40.800 -0.687 0.000 0.947 126 D HN 0.357 nan 8.370 nan 0.000 0.516 127 W N -0.050 120.955 121.300 -0.492 0.000 2.873 127 W HA 0.265 4.925 4.660 -0.000 0.000 0.282 127 W C 0.131 176.500 176.519 -0.250 0.000 1.118 127 W CA -0.149 56.796 57.345 -0.667 0.000 1.480 127 W CB 0.429 29.454 29.460 -0.724 0.000 0.954 127 W HN -0.371 nan 8.180 nan 0.000 0.591 128 V N 2.167 122.139 119.914 0.097 0.000 2.435 128 V HA 0.203 4.323 4.120 -0.000 0.000 0.290 128 V C -0.675 175.315 176.094 -0.173 0.000 1.030 128 V CA -0.604 61.705 62.300 0.015 0.000 0.881 128 V CB 1.584 33.364 31.823 -0.071 0.000 0.983 128 V HN -0.170 nan 8.190 nan 0.000 0.445 129 D N 3.855 124.058 120.400 -0.329 0.000 2.428 129 D HA 0.257 4.897 4.640 -0.000 0.000 0.221 129 D C 0.820 176.598 176.300 -0.870 0.000 1.123 129 D CA -0.176 53.271 54.000 -0.920 0.000 0.869 129 D CB 1.699 42.229 40.800 -0.449 0.000 1.032 129 D HN 0.198 nan 8.370 nan 0.000 0.506 130 V N 3.351 122.506 119.914 -1.266 0.000 2.287 130 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 130 V C 2.567 178.367 176.094 -0.490 0.000 1.053 130 V CA 2.553 64.402 62.300 -0.751 0.000 1.027 130 V CB -0.931 30.367 31.823 -0.874 0.000 0.646 130 V HN 0.759 nan 8.190 nan 0.000 0.447 131 T N -1.120 113.198 114.554 -0.395 0.000 2.915 131 T HA -0.054 4.296 4.350 -0.000 0.000 0.269 131 T C 1.824 176.433 174.700 -0.152 0.000 1.071 131 T CA 1.217 63.217 62.100 -0.167 0.000 1.132 131 T CB -0.401 68.461 68.868 -0.010 0.000 0.878 131 T HN 0.473 nan 8.240 nan 0.000 0.479 132 A N 1.459 124.158 122.820 -0.202 0.000 2.121 132 A HA 0.492 4.812 4.320 -0.000 0.000 0.218 132 A C 2.683 180.189 177.584 -0.130 0.000 1.154 132 A CA 1.195 53.149 52.037 -0.138 0.000 0.679 132 A CB -1.101 17.819 19.000 -0.134 0.000 0.795 132 A HN 0.697 nan 8.150 nan 0.000 0.458 133 A N -0.084 122.635 122.820 -0.169 0.000 2.070 133 A HA -0.026 4.294 4.320 -0.000 0.000 0.220 133 A C 1.938 179.464 177.584 -0.096 0.000 1.159 133 A CA 1.254 53.209 52.037 -0.137 0.000 0.656 133 A CB -0.533 18.370 19.000 -0.163 0.000 0.800 133 A HN 0.504 nan 8.150 nan 0.000 0.453 134 L N -1.364 119.807 121.223 -0.087 0.000 2.376 134 L HA -0.106 4.234 4.340 -0.000 0.000 0.219 134 L C 2.039 178.884 176.870 -0.042 0.000 1.133 134 L CA 1.116 55.923 54.840 -0.054 0.000 0.816 134 L CB -0.252 41.783 42.059 -0.041 0.000 0.933 134 L HN 0.330 nan 8.230 nan 0.000 0.449 135 K N 0.260 120.632 120.400 -0.047 0.000 2.400 135 K HA 0.167 4.487 4.320 -0.000 0.000 0.194 135 K C 0.885 177.465 176.600 -0.034 0.000 1.033 135 K CA -0.019 56.247 56.287 -0.035 0.000 1.021 135 K CB 0.185 32.664 32.500 -0.034 0.000 0.808 135 K HN 0.171 nan 8.250 nan 0.000 0.505 136 A N 1.981 124.776 122.820 -0.042 0.000 2.407 136 A HA 0.000 4.320 4.320 -0.000 0.000 0.248 136 A C -0.318 177.250 177.584 -0.027 0.000 1.082 136 A CA -0.307 51.708 52.037 -0.038 0.000 0.785 136 A CB 0.219 19.190 19.000 -0.048 0.000 1.020 136 A HN 0.191 nan 8.150 nan 0.000 0.489 137 D N 2.678 123.066 120.400 -0.020 0.000 2.295 137 D HA 0.239 4.879 4.640 -0.000 0.000 0.248 137 D C -1.791 174.501 176.300 -0.014 0.000 1.154 137 D CA -1.552 52.440 54.000 -0.014 0.000 0.857 137 D CB 1.337 42.132 40.800 -0.009 0.000 1.117 137 D HN 0.131 nan 8.370 nan 0.000 0.468 138 P HA -0.101 nan 4.420 nan 0.000 0.218 138 P C 1.011 178.306 177.300 -0.007 0.000 1.148 138 P CA 0.727 63.819 63.100 -0.013 0.000 0.822 138 P CB 0.328 32.022 31.700 -0.011 0.000 0.784 139 N N -0.012 118.685 118.700 -0.004 0.000 2.120 139 N HA -0.134 4.606 4.740 -0.000 0.000 0.188 139 N C 1.503 177.013 175.510 0.000 0.000 1.024 139 N CA 1.272 54.321 53.050 -0.001 0.000 0.852 139 N CB -0.397 38.090 38.487 -0.000 0.000 1.003 139 N HN 0.283 nan 8.380 nan 0.000 0.424 140 K N 0.829 121.229 120.400 -0.001 0.000 2.148 140 K HA 0.077 4.397 4.320 -0.000 0.000 0.204 140 K C 2.069 178.670 176.600 0.002 0.000 1.050 140 K CA 0.934 57.222 56.287 0.001 0.000 0.942 140 K CB -0.012 32.488 32.500 0.000 0.000 0.724 140 K HN 0.116 nan 8.250 nan 0.000 0.446 141 A N 1.300 124.118 122.820 -0.005 0.000 1.968 141 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 141 A C 2.308 179.893 177.584 0.001 0.000 1.169 141 A CA 1.504 53.537 52.037 -0.007 0.000 0.638 141 A CB -0.470 18.516 19.000 -0.023 0.000 0.812 141 A HN 0.297 nan 8.150 nan 0.000 0.446 142 A N 0.024 122.846 122.820 0.003 0.000 1.898 142 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 142 A C 2.149 179.741 177.584 0.014 0.000 1.181 142 A CA 1.865 53.908 52.037 0.010 0.000 0.620 142 A CB -0.440 18.565 19.000 0.009 0.000 0.819 142 A HN 0.497 nan 8.150 nan 0.000 0.442 143 K N -0.289 120.118 120.400 0.011 0.000 2.026 143 K HA -0.100 4.220 4.320 -0.000 0.000 0.208 143 K C 2.010 178.621 176.600 0.018 0.000 1.048 143 K CA 1.478 57.773 56.287 0.013 0.000 0.929 143 K CB -0.313 32.193 32.500 0.010 0.000 0.713 143 K HN 0.504 nan 8.250 nan 0.000 0.439 144 L N 0.608 121.845 121.223 0.022 0.000 2.046 144 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 144 L C 2.388 179.281 176.870 0.039 0.000 1.077 144 L CA 1.630 56.490 54.840 0.034 0.000 0.747 144 L CB -0.511 41.570 42.059 0.038 0.000 0.896 144 L HN 0.270 nan 8.230 nan 0.000 0.432 145 A N 0.072 122.913 122.820 0.037 0.000 1.908 145 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 145 A C 2.416 180.024 177.584 0.040 0.000 1.181 145 A CA 1.791 53.857 52.037 0.049 0.000 0.627 145 A CB -0.939 18.094 19.000 0.055 0.000 0.818 145 A HN 0.597 nan 8.150 nan 0.000 0.445 146 A N -0.084 122.753 122.820 0.028 0.000 2.076 146 A HA -0.049 4.270 4.320 -0.000 0.000 0.220 146 A C 2.285 179.876 177.584 0.012 0.000 1.160 146 A CA 2.187 54.234 52.037 0.018 0.000 0.653 146 A CB -0.639 18.369 19.000 0.013 0.000 0.801 146 A HN 1.101 nan 8.150 nan 0.000 0.455 147 S N -0.923 114.787 115.700 0.016 0.000 2.524 147 S HA 0.216 4.686 4.470 -0.000 0.000 0.215 147 S C 1.099 175.704 174.600 0.009 0.000 0.986 147 S CA 0.348 58.554 58.200 0.010 0.000 0.911 147 S CB -0.454 62.753 63.200 0.012 0.000 0.805 147 S HN 0.861 nan 8.310 nan 0.000 0.501 148 I N -2.073 118.509 120.570 0.020 0.000 4.147 148 I HA 0.803 4.973 4.170 -0.000 0.000 0.329 148 I C 0.069 176.191 176.117 0.007 0.000 1.424 148 I CA -0.669 60.641 61.300 0.017 0.000 1.127 148 I CB 0.749 38.779 38.000 0.051 0.000 1.128 148 I HN 0.287 nan 8.210 nan 0.000 0.417 149 A N 0.598 123.420 122.820 0.004 0.000 2.599 149 A HA 0.733 5.052 4.320 -0.000 0.000 0.294 149 A C -2.977 174.597 177.584 -0.015 0.000 1.055 149 A CA -1.057 50.975 52.037 -0.009 0.000 0.683 149 A CB 0.145 19.158 19.000 0.021 0.000 1.278 149 A HN -0.017 nan 8.150 nan 0.000 0.412 150 P HA 0.330 nan 4.420 nan 0.000 0.266 150 P C 0.128 177.418 177.300 -0.017 0.000 1.193 150 P CA 0.570 63.651 63.100 -0.033 0.000 0.770 150 P CB 0.503 32.173 31.700 -0.050 0.000 0.836 151 A N 3.966 126.779 122.820 -0.011 0.000 2.511 151 A HA 0.402 4.721 4.320 -0.000 0.000 0.242 151 A C 0.500 178.084 177.584 0.000 0.000 1.069 151 A CA 0.293 52.330 52.037 -0.001 0.000 0.763 151 A CB -0.212 18.787 19.000 -0.002 0.000 1.001 151 A HN 0.686 nan 8.150 nan 0.000 0.498 152 R N 1.896 122.404 120.500 0.013 0.000 2.664 152 R HA 0.436 4.776 4.340 -0.000 0.000 0.266 152 R C -2.879 173.438 176.300 0.028 0.000 1.046 152 R CA -1.342 54.769 56.100 0.017 0.000 0.885 152 R CB 0.788 31.097 30.300 0.015 0.000 1.254 152 R HN 0.365 nan 8.270 nan 0.000 0.465 153 P HA -0.063 nan 4.420 nan 0.000 0.223 153 P C 1.151 178.474 177.300 0.038 0.000 1.151 153 P CA 1.485 64.601 63.100 0.027 0.000 0.787 153 P CB -0.007 31.705 31.700 0.020 0.000 0.788 154 G N 0.133 108.965 108.800 0.054 0.000 2.625 154 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.214 154 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.214 154 G C 1.132 176.095 174.900 0.104 0.000 1.132 154 G CA 0.210 45.359 45.100 0.080 0.000 0.782 154 G HN 0.245 nan 8.290 nan 0.000 0.538 155 N N 0.146 118.900 118.700 0.091 0.000 2.214 155 N HA 0.120 4.860 4.740 -0.000 0.000 0.214 155 N C 0.841 176.379 175.510 0.046 0.000 1.132 155 N CA -0.010 53.094 53.050 0.089 0.000 0.856 155 N CB 0.756 39.305 38.487 0.104 0.000 1.020 155 N HN 0.325 nan 8.380 nan 0.000 0.509 156 S N -0.850 114.871 115.700 0.035 0.000 2.624 156 S HA 0.533 5.003 4.470 -0.000 0.000 0.263 156 S C 1.602 176.211 174.600 0.014 0.000 1.287 156 S CA -0.201 58.012 58.200 0.021 0.000 0.990 156 S CB 1.480 64.690 63.200 0.017 0.000 0.950 156 S HN 0.131 nan 8.310 nan 0.000 0.561 157 A N 1.303 124.129 122.820 0.009 0.000 1.883 157 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 157 A C 2.159 179.744 177.584 0.003 0.000 1.186 157 A CA 1.989 54.029 52.037 0.004 0.000 0.624 157 A CB -1.123 17.879 19.000 0.003 0.000 0.822 157 A HN 0.996 nan 8.150 nan 0.000 0.444 158 K N -0.283 120.120 120.400 0.005 0.000 2.097 158 K HA -0.058 4.262 4.320 -0.000 0.000 0.206 158 K C 2.001 178.604 176.600 0.005 0.000 1.049 158 K CA 1.469 57.759 56.287 0.005 0.000 0.933 158 K CB -0.349 32.154 32.500 0.006 0.000 0.717 158 K HN 0.336 nan 8.250 nan 0.000 0.442 159 A N 0.924 123.748 122.820 0.008 0.000 1.929 159 A HA 0.001 4.321 4.320 -0.000 0.000 0.216 159 A C 2.060 179.646 177.584 0.003 0.000 1.176 159 A CA 0.955 52.997 52.037 0.009 0.000 0.628 159 A CB -0.411 18.601 19.000 0.020 0.000 0.816 159 A HN 0.324 nan 8.150 nan 0.000 0.444 160 L N -0.834 120.389 121.223 -0.001 0.000 2.240 160 L HA -0.088 4.252 4.340 -0.000 0.000 0.211 160 L C 2.495 179.356 176.870 -0.016 0.000 1.106 160 L CA 1.585 56.416 54.840 -0.016 0.000 0.793 160 L CB -0.274 41.773 42.059 -0.020 0.000 0.927 160 L HN 0.480 nan 8.230 nan 0.000 0.446 161 K N 0.789 121.183 120.400 -0.009 0.000 2.155 161 K HA -0.073 4.247 4.320 -0.000 0.000 0.203 161 K C 2.063 178.661 176.600 -0.003 0.000 1.052 161 K CA 1.162 57.445 56.287 -0.007 0.000 0.948 161 K CB 0.009 32.507 32.500 -0.003 0.000 0.728 161 K HN 0.177 nan 8.250 nan 0.000 0.448 162 A N 0.427 123.246 122.820 -0.001 0.000 1.968 162 A HA -0.019 4.301 4.320 -0.000 0.000 0.217 162 A C 2.167 179.752 177.584 0.001 0.000 1.169 162 A CA 1.211 53.250 52.037 0.002 0.000 0.638 162 A CB -0.458 18.544 19.000 0.003 0.000 0.812 162 A HN 0.144 nan 8.150 nan 0.000 0.446 163 V N -0.028 119.882 119.914 -0.006 0.000 2.261 163 V HA -0.316 3.804 4.120 -0.000 0.000 0.246 163 V C 2.719 178.804 176.094 -0.014 0.000 1.047 163 V CA 2.309 64.602 62.300 -0.011 0.000 1.015 163 V CB -0.788 31.022 31.823 -0.021 0.000 0.642 163 V HN 0.765 nan 8.190 nan 0.000 0.446 164 Q N -0.400 119.388 119.800 -0.021 0.000 2.135 164 Q HA -0.283 4.057 4.340 -0.000 0.000 0.204 164 Q C 1.898 177.897 176.000 -0.001 0.000 0.981 164 Q CA 2.171 57.961 55.803 -0.021 0.000 0.856 164 Q CB -0.123 28.600 28.738 -0.025 0.000 0.902 164 Q HN 0.640 nan 8.270 nan 0.000 0.425 165 D N 0.107 120.511 120.400 0.006 0.000 2.117 165 D HA -0.115 4.525 4.640 -0.000 0.000 0.198 165 D C 1.651 177.972 176.300 0.036 0.000 0.982 165 D CA 1.085 55.096 54.000 0.018 0.000 0.828 165 D CB 0.007 40.817 40.800 0.016 0.000 0.967 165 D HN 0.202 nan 8.370 nan 0.000 0.464 166 K N -0.115 120.306 120.400 0.035 0.000 2.026 166 K HA -0.117 4.203 4.320 -0.000 0.000 0.208 166 K C 2.002 178.657 176.600 0.091 0.000 1.048 166 K CA 0.569 56.890 56.287 0.057 0.000 0.929 166 K CB -0.230 32.292 32.500 0.036 0.000 0.713 166 K HN 0.022 nan 8.250 nan 0.000 0.439 167 L N 1.743 123.000 121.223 0.057 0.000 2.093 167 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 167 L C 2.159 179.105 176.870 0.127 0.000 1.085 167 L CA 1.740 56.627 54.840 0.079 0.000 0.755 167 L CB -0.302 41.750 42.059 -0.013 0.000 0.904 167 L HN 0.047 nan 8.230 nan 0.000 0.435 168 K N -0.604 119.839 120.400 0.072 0.000 2.002 168 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 168 K C 2.015 178.662 176.600 0.079 0.000 1.048 168 K CA 1.407 57.729 56.287 0.058 0.000 0.930 168 K CB -0.283 32.235 32.500 0.030 0.000 0.714 168 K HN 0.409 nan 8.250 nan 0.000 0.438 169 A N 0.895 123.768 122.820 0.089 0.000 1.908 169 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 169 A C 2.029 179.683 177.584 0.117 0.000 1.181 169 A CA 1.537 53.626 52.037 0.086 0.000 0.627 169 A CB -0.903 18.147 19.000 0.083 0.000 0.818 169 A HN 0.535 nan 8.150 nan 0.000 0.445 170 F N 0.777 120.748 119.950 0.036 0.000 2.069 170 F HA -0.191 4.336 4.527 -0.000 0.000 0.298 170 F C 2.264 178.098 175.800 0.056 0.000 1.113 170 F CA 2.241 60.275 58.000 0.057 0.000 1.214 170 F CB -0.350 38.703 39.000 0.087 0.000 0.978 170 F HN 0.028 nan 8.300 nan 0.000 0.474 171 V N 0.270 120.273 119.914 0.149 0.000 2.490 171 V HA -0.263 3.857 4.120 -0.000 0.000 0.250 171 V C 1.991 178.061 176.094 -0.040 0.000 1.061 171 V CA 2.180 64.502 62.300 0.037 0.000 1.064 171 V CB -0.715 31.159 31.823 0.085 0.000 0.670 171 V HN 0.383 nan 8.190 nan 0.000 0.461 172 E N 0.428 120.615 120.200 -0.021 0.000 2.371 172 E HA -0.101 4.249 4.350 -0.000 0.000 0.194 172 E C 2.274 178.841 176.600 -0.055 0.000 1.012 172 E CA 0.981 57.365 56.400 -0.028 0.000 0.860 172 E CB -0.114 29.583 29.700 -0.005 0.000 0.811 172 E HN 0.742 nan 8.360 nan 0.000 0.502 173 S N -0.054 115.588 115.700 -0.097 0.000 2.419 173 S HA -0.104 4.366 4.470 -0.000 0.000 0.235 173 S C 1.882 176.412 174.600 -0.116 0.000 1.019 173 S CA 1.064 59.196 58.200 -0.114 0.000 0.982 173 S CB -0.307 62.783 63.200 -0.183 0.000 0.789 173 S HN 0.401 nan 8.310 nan 0.000 0.490 174 G N 0.223 108.945 108.800 -0.131 0.000 2.199 174 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.254 174 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.254 174 G C -0.093 174.729 174.900 -0.130 0.000 0.982 174 G CA 0.263 45.301 45.100 -0.103 0.000 0.632 174 G HN 0.650 nan 8.290 nan 0.000 0.529 175 Q N 0.061 119.729 119.800 -0.220 0.000 2.462 175 Q HA 0.594 4.934 4.340 -0.000 0.000 0.247 175 Q C 1.260 177.051 176.000 -0.347 0.000 1.044 175 Q CA -0.603 55.070 55.803 -0.216 0.000 0.803 175 Q CB 1.093 29.722 28.738 -0.182 0.000 1.190 175 Q HN 0.354 nan 8.270 nan 0.000 0.507 176 L N 1.421 122.561 121.223 -0.138 0.000 2.552 176 L HA 0.008 4.348 4.340 -0.000 0.000 0.227 176 L C 1.313 178.320 176.870 0.228 0.000 1.146 176 L CA 0.631 55.500 54.840 0.047 0.000 0.858 176 L CB -0.646 41.499 42.059 0.143 0.000 0.969 176 L HN 0.981 nan 8.230 nan 0.000 0.451 177 G N 2.368 111.230 108.800 0.104 0.000 2.685 177 G HA2 -0.430 3.530 3.960 -0.000 0.000 0.329 177 G HA3 -0.430 3.530 3.960 -0.000 0.000 0.329 177 G C 0.883 175.789 174.900 0.010 0.000 1.271 177 G CA 0.749 45.916 45.100 0.111 0.000 1.003 177 G HN 0.492 nan 8.290 nan 0.000 0.549 178 I N -1.966 118.520 120.570 -0.140 0.000 3.334 178 I HA 0.285 4.455 4.170 -0.000 0.000 0.282 178 I C 1.912 177.839 176.117 -0.316 0.000 1.313 178 I CA 1.420 62.554 61.300 -0.277 0.000 1.396 178 I CB -0.323 37.445 38.000 -0.386 0.000 1.054 178 I HN 0.178 nan 8.210 nan 0.000 0.495 179 F N 1.233 121.239 119.950 0.093 0.000 2.727 179 F HA 0.235 4.761 4.527 -0.000 0.000 0.302 179 F C 1.268 177.041 175.800 -0.046 0.000 1.097 179 F CA -0.452 57.568 58.000 0.034 0.000 1.330 179 F CB -0.851 38.237 39.000 0.148 0.000 1.084 179 F HN -0.134 nan 8.300 nan 0.000 0.578 180 T N 2.731 117.351 114.554 0.110 0.000 2.891 180 T HA -0.109 4.240 4.350 -0.000 0.000 0.296 180 T C 0.667 175.356 174.700 -0.018 0.000 1.025 180 T CA 0.352 62.475 62.100 0.039 0.000 1.149 180 T CB -0.166 68.712 68.868 0.017 0.000 1.007 180 T HN 0.275 nan 8.240 nan 0.000 0.528 181 N N -0.319 118.365 118.700 -0.026 0.000 2.693 181 N HA -0.190 4.550 4.740 -0.000 0.000 0.249 181 N C 0.272 175.709 175.510 -0.121 0.000 1.119 181 N CA 0.862 53.886 53.050 -0.043 0.000 0.717 181 N CB -1.545 36.934 38.487 -0.012 0.000 1.071 181 N HN 0.939 nan 8.380 nan 0.000 0.555 182 A N -0.446 122.222 122.820 -0.253 0.000 2.507 182 A HA 0.132 4.452 4.320 -0.000 0.000 0.235 182 A C 1.114 178.453 177.584 -0.409 0.000 1.070 182 A CA 0.168 51.874 52.037 -0.552 0.000 0.768 182 A CB 0.129 18.399 19.000 -1.217 0.000 1.011 182 A HN 0.236 nan 8.150 nan 0.000 0.502 183 Y N 0.852 120.915 120.300 -0.396 0.000 2.509 183 Y HA -0.089 4.461 4.550 -0.000 0.000 0.293 183 Y C 1.657 177.454 175.900 -0.170 0.000 1.133 183 Y CA 1.314 59.326 58.100 -0.146 0.000 1.283 183 Y CB -0.757 37.720 38.460 0.028 0.000 1.001 183 Y HN 0.770 nan 8.280 nan 0.000 0.555 184 F N -1.819 118.049 119.950 -0.137 0.000 2.789 184 F HA 0.257 4.784 4.527 -0.000 0.000 0.300 184 F C 0.368 176.050 175.800 -0.198 0.000 1.132 184 F CA -0.910 56.812 58.000 -0.464 0.000 1.404 184 F CB -1.280 37.127 39.000 -0.989 0.000 1.114 184 F HN -0.296 nan 8.300 nan 0.000 0.584 185 L N 2.177 123.347 121.223 -0.087 0.000 2.513 185 L HA 0.273 4.613 4.340 -0.000 0.000 0.272 185 L C 1.485 178.377 176.870 0.037 0.000 1.187 185 L CA 0.921 55.770 54.840 0.015 0.000 0.895 185 L CB 0.003 42.030 42.059 -0.054 0.000 1.147 185 L HN 0.654 nan 8.230 nan 0.000 0.483 186 G N 2.058 110.886 108.800 0.048 0.000 2.179 186 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.260 186 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.260 186 G C 0.558 175.481 174.900 0.039 0.000 0.977 186 G CA 0.071 45.190 45.100 0.032 0.000 0.641 186 G HN 1.510 nan 8.290 nan 0.000 0.533 187 G N -1.232 107.603 108.800 0.058 0.000 2.692 187 G HA2 0.399 4.359 3.960 -0.000 0.000 0.686 187 G HA3 0.399 4.359 3.960 -0.000 0.000 0.686 187 G C -0.887 174.093 174.900 0.133 0.000 1.243 187 G CA 0.416 45.562 45.100 0.077 0.000 0.782 187 G HN 2.061 nan 8.290 nan 0.000 0.625 188 H N 1.695 120.810 119.070 0.076 0.000 3.099 188 H HA 0.304 4.860 4.556 -0.000 0.000 0.342 188 H C 1.209 176.685 175.328 0.246 0.000 1.054 188 H CA -0.500 55.635 56.048 0.146 0.000 1.328 188 H CB 1.218 31.077 29.762 0.162 0.000 1.876 188 H HN 0.543 nan 8.280 nan 0.000 0.495 189 K N 2.537 123.138 120.400 0.334 0.000 2.089 189 K HA -0.135 4.185 4.320 -0.000 0.000 0.210 189 K C 1.519 178.463 176.600 0.573 0.000 1.048 189 K CA 1.572 58.077 56.287 0.365 0.000 0.926 189 K CB 0.003 32.634 32.500 0.219 0.000 0.714 189 K HN 0.526 nan 8.250 nan 0.000 0.448 190 A N 0.256 123.525 122.820 0.750 0.000 2.235 190 A HA -0.062 4.258 4.320 -0.000 0.000 0.208 190 A C 0.056 177.694 177.584 0.090 0.000 1.172 190 A CA 0.409 52.694 52.037 0.414 0.000 0.786 190 A CB -0.198 18.948 19.000 0.243 0.000 0.804 190 A HN 0.163 nan 8.150 nan 0.000 0.479 191 Y N -0.477 119.936 120.300 0.189 0.000 2.385 191 Y HA 0.386 4.936 4.550 -0.000 0.000 0.341 191 Y C 0.402 176.445 175.900 0.237 0.000 0.965 191 Y CA -0.575 57.605 58.100 0.133 0.000 1.180 191 Y CB 0.645 39.170 38.460 0.109 0.000 1.139 191 Y HN 0.292 nan 8.280 nan 0.000 0.502 192 Y N 1.059 121.424 120.300 0.110 0.000 2.497 192 Y HA 0.199 4.749 4.550 -0.000 0.000 0.265 192 Y C 0.681 176.459 175.900 -0.204 0.000 1.111 192 Y CA -0.695 57.331 58.100 -0.122 0.000 1.288 192 Y CB -0.314 37.903 38.460 -0.404 0.000 1.082 192 Y HN 0.321 nan 8.280 nan 0.000 0.536 193 L N 3.831 125.022 121.223 -0.054 0.000 2.456 193 L HA 0.152 4.492 4.340 -0.000 0.000 0.272 193 L C -1.934 174.782 176.870 -0.257 0.000 1.189 193 L CA -1.816 52.830 54.840 -0.324 0.000 0.846 193 L CB 0.006 41.950 42.059 -0.193 0.000 1.111 193 L HN -0.095 nan 8.230 nan 0.000 0.475 194 P HA 0.137 nan 4.420 nan 0.000 0.271 194 P C -2.272 174.937 177.300 -0.152 0.000 1.218 194 P CA -1.546 61.432 63.100 -0.203 0.000 0.780 194 P CB 0.226 31.813 31.700 -0.189 0.000 0.901 195 P HA -0.215 nan 4.420 nan 0.000 0.216 195 P C 1.309 178.554 177.300 -0.091 0.000 1.154 195 P CA 1.659 64.704 63.100 -0.092 0.000 0.865 195 P CB -0.002 31.658 31.700 -0.067 0.000 0.789 196 E N -0.825 119.331 120.200 -0.074 0.000 2.097 196 E HA -0.144 4.206 4.350 -0.000 0.000 0.196 196 E C 1.960 178.520 176.600 -0.066 0.000 1.000 196 E CA 1.100 57.465 56.400 -0.058 0.000 0.804 196 E CB -1.216 28.465 29.700 -0.032 0.000 0.740 196 E HN 0.060 nan 8.360 nan 0.000 0.454 197 V N 1.483 121.345 119.914 -0.087 0.000 2.548 197 V HA -0.201 3.918 4.120 -0.000 0.000 0.249 197 V C 1.761 177.806 176.094 -0.082 0.000 1.055 197 V CA 1.433 63.689 62.300 -0.074 0.000 1.065 197 V CB -0.482 31.266 31.823 -0.125 0.000 0.681 197 V HN 0.290 nan 8.190 nan 0.000 0.462 198 N N 0.231 118.865 118.700 -0.110 0.000 2.120 198 N HA -0.141 4.599 4.740 -0.000 0.000 0.188 198 N C 1.714 177.144 175.510 -0.133 0.000 1.024 198 N CA 1.291 54.263 53.050 -0.129 0.000 0.852 198 N CB -0.355 38.035 38.487 -0.161 0.000 1.003 198 N HN 0.352 nan 8.380 nan 0.000 0.424 199 L N 1.476 122.628 121.223 -0.118 0.000 2.005 199 L HA 0.006 4.346 4.340 -0.000 0.000 0.207 199 L C 2.063 178.849 176.870 -0.140 0.000 1.072 199 L CA 1.257 56.028 54.840 -0.116 0.000 0.744 199 L CB -0.867 41.139 42.059 -0.088 0.000 0.895 199 L HN 0.058 nan 8.230 nan 0.000 0.433 200 I N -0.165 120.318 120.570 -0.144 0.000 2.151 200 I HA -0.344 3.826 4.170 -0.000 0.000 0.243 200 I C 2.557 178.440 176.117 -0.391 0.000 1.080 200 I CA 1.474 62.621 61.300 -0.254 0.000 1.339 200 I CB -0.644 37.275 38.000 -0.135 0.000 1.039 200 I HN 0.373 nan 8.210 nan 0.000 0.409 201 A N -0.242 122.492 122.820 -0.143 0.000 1.972 201 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 201 A C 2.364 179.983 177.584 0.058 0.000 1.169 201 A CA 2.329 54.380 52.037 0.023 0.000 0.635 201 A CB -0.919 18.117 19.000 0.061 0.000 0.810 201 A HN 0.409 nan 8.150 nan 0.000 0.446 202 T N -0.105 114.418 114.554 -0.052 0.000 2.851 202 T HA 0.121 4.471 4.350 -0.000 0.000 0.262 202 T C 2.298 177.010 174.700 0.021 0.000 1.043 202 T CA 1.175 63.251 62.100 -0.040 0.000 1.140 202 T CB -0.406 68.374 68.868 -0.146 0.000 0.872 202 T HN 0.576 nan 8.240 nan 0.000 0.446 203 A N 1.565 124.346 122.820 -0.065 0.000 1.892 203 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 203 A C 1.893 179.532 177.584 0.093 0.000 1.188 203 A CA 2.085 54.105 52.037 -0.028 0.000 0.631 203 A CB -1.070 17.872 19.000 -0.098 0.000 0.822 203 A HN 0.743 nan 8.150 nan 0.000 0.447 204 H N -3.664 115.462 119.070 0.094 0.000 2.389 204 H HA -0.121 4.435 4.556 -0.000 0.000 0.299 204 H C 2.014 177.241 175.328 -0.169 0.000 1.081 204 H CA 1.257 57.318 56.048 0.021 0.000 1.345 204 H CB -0.223 29.567 29.762 0.046 0.000 1.393 204 H HN 0.656 nan 8.280 nan 0.000 0.520 205 Y N 1.982 122.259 120.300 -0.039 0.000 2.069 205 Y HA -0.313 4.237 4.550 -0.000 0.000 0.278 205 Y C 2.147 178.104 175.900 0.095 0.000 1.175 205 Y CA 1.634 59.735 58.100 0.002 0.000 1.134 205 Y CB -0.531 38.013 38.460 0.140 0.000 0.965 205 Y HN 0.069 nan 8.280 nan 0.000 0.498 206 L N -0.204 121.222 121.223 0.339 0.000 2.046 206 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 206 L C 2.433 179.328 176.870 0.042 0.000 1.077 206 L CA 1.752 56.711 54.840 0.198 0.000 0.747 206 L CB -0.672 41.469 42.059 0.136 0.000 0.896 206 L HN 0.287 nan 8.230 nan 0.000 0.432 207 E N 0.423 120.631 120.200 0.013 0.000 2.058 207 E HA -0.240 4.109 4.350 -0.000 0.000 0.194 207 E C 2.339 178.776 176.600 -0.271 0.000 0.997 207 E CA 1.223 57.565 56.400 -0.096 0.000 0.801 207 E CB -0.218 29.543 29.700 0.102 0.000 0.746 207 E HN 0.497 nan 8.360 nan 0.000 0.450 208 A N 1.490 124.143 122.820 -0.279 0.000 1.948 208 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 208 A C 2.224 179.754 177.584 -0.090 0.000 1.177 208 A CA 1.192 53.005 52.037 -0.373 0.000 0.636 208 A CB -0.766 18.000 19.000 -0.389 0.000 0.815 208 A HN 0.157 nan 8.150 nan 0.000 0.449 209 L N -1.388 119.844 121.223 0.015 0.000 2.043 209 L HA -0.260 4.080 4.340 -0.000 0.000 0.212 209 L C 2.620 179.475 176.870 -0.025 0.000 1.075 209 L CA 1.770 56.555 54.840 -0.091 0.000 0.752 209 L CB -0.803 41.201 42.059 -0.093 0.000 0.891 209 L HN 0.577 nan 8.230 nan 0.000 0.432 210 H N -1.651 117.322 119.070 -0.162 0.000 2.363 210 H HA -0.157 4.399 4.556 -0.000 0.000 0.301 210 H C 2.239 177.454 175.328 -0.189 0.000 1.074 210 H CA 1.255 57.213 56.048 -0.150 0.000 1.354 210 H CB 0.120 29.806 29.762 -0.127 0.000 1.397 210 H HN 0.217 nan 8.280 nan 0.000 0.516 211 M N 1.902 121.384 119.600 -0.196 0.000 2.159 211 M HA -0.192 4.288 4.480 -0.000 0.000 0.263 211 M C 2.339 178.560 176.300 -0.133 0.000 1.063 211 M CA 1.622 56.747 55.300 -0.291 0.000 1.110 211 M CB -0.121 32.028 32.600 -0.751 0.000 1.374 211 M HN 0.241 nan 8.290 nan 0.000 0.411 212 Q N -1.202 118.547 119.800 -0.085 0.000 2.170 212 Q HA -0.070 4.270 4.340 -0.000 0.000 0.203 212 Q C 1.646 177.733 176.000 0.145 0.000 0.976 212 Q CA 2.062 57.894 55.803 0.049 0.000 0.858 212 Q CB -1.525 27.199 28.738 -0.025 0.000 0.907 212 Q HN 0.380 nan 8.270 nan 0.000 0.433 213 V N 1.280 121.208 119.914 0.024 0.000 2.252 213 V HA -0.319 3.801 4.120 -0.000 0.000 0.249 213 V C 2.291 178.381 176.094 -0.007 0.000 1.056 213 V CA 2.392 64.685 62.300 -0.011 0.000 1.022 213 V CB -0.640 31.137 31.823 -0.076 0.000 0.641 213 V HN 0.420 nan 8.190 nan 0.000 0.445 214 K N -0.116 120.276 120.400 -0.014 0.000 2.103 214 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 214 K C 2.251 178.856 176.600 0.009 0.000 1.048 214 K CA 1.492 57.771 56.287 -0.013 0.000 0.930 214 K CB -0.381 32.102 32.500 -0.029 0.000 0.716 214 K HN 0.509 nan 8.250 nan 0.000 0.444 215 A N 1.154 124.009 122.820 0.058 0.000 1.929 215 A HA -0.032 4.288 4.320 -0.000 0.000 0.216 215 A C 2.298 179.916 177.584 0.056 0.000 1.176 215 A CA 1.572 53.665 52.037 0.093 0.000 0.628 215 A CB -0.474 18.648 19.000 0.203 0.000 0.816 215 A HN 0.320 nan 8.150 nan 0.000 0.444 216 A N -0.674 122.153 122.820 0.011 0.000 1.930 216 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 216 A C 2.409 179.948 177.584 -0.075 0.000 1.175 216 A CA 1.870 53.822 52.037 -0.141 0.000 0.627 216 A CB -0.766 18.085 19.000 -0.248 0.000 0.815 216 A HN 0.413 nan 8.150 nan 0.000 0.443 217 S N -0.178 115.499 115.700 -0.038 0.000 2.370 217 S HA -0.089 4.381 4.470 -0.000 0.000 0.226 217 S C 2.322 176.927 174.600 0.008 0.000 1.033 217 S CA 1.293 59.479 58.200 -0.023 0.000 1.011 217 S CB -0.438 62.753 63.200 -0.015 0.000 0.852 217 S HN 0.793 nan 8.310 nan 0.000 0.457 218 A N 1.402 124.240 122.820 0.031 0.000 1.877 218 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 218 A C 2.130 179.844 177.584 0.216 0.000 1.186 218 A CA 1.763 53.873 52.037 0.121 0.000 0.620 218 A CB -0.699 18.281 19.000 -0.034 0.000 0.822 218 A HN 0.530 nan 8.150 nan 0.000 0.443 219 M N -0.261 119.396 119.600 0.094 0.000 2.144 219 M HA -0.202 4.278 4.480 -0.000 0.000 0.260 219 M C 2.084 178.306 176.300 -0.130 0.000 1.067 219 M CA 1.864 57.164 55.300 0.000 0.000 1.095 219 M CB -0.195 32.368 32.600 -0.061 0.000 1.365 219 M HN 0.420 nan 8.290 nan 0.000 0.406 220 A N -0.079 122.684 122.820 -0.096 0.000 2.119 220 A HA -0.011 4.309 4.320 -0.000 0.000 0.217 220 A C 1.856 179.359 177.584 -0.134 0.000 1.153 220 A CA 0.832 52.797 52.037 -0.121 0.000 0.692 220 A CB -0.855 18.100 19.000 -0.076 0.000 0.799 220 A HN 0.618 nan 8.150 nan 0.000 0.458 221 I N -0.571 119.938 120.570 -0.102 0.000 2.286 221 I HA -0.242 3.928 4.170 -0.000 0.000 0.248 221 I C 2.103 178.072 176.117 -0.247 0.000 1.115 221 I CA 1.155 62.383 61.300 -0.119 0.000 1.392 221 I CB -0.104 37.872 38.000 -0.040 0.000 1.065 221 I HN 0.308 nan 8.210 nan 0.000 0.418 222 L N -0.739 120.246 121.223 -0.397 0.000 2.357 222 L HA 0.161 4.501 4.340 -0.000 0.000 0.211 222 L C 2.317 178.688 176.870 -0.831 0.000 1.075 222 L CA 0.779 55.272 54.840 -0.578 0.000 0.830 222 L CB -0.537 41.093 42.059 -0.716 0.000 0.996 222 L HN 0.209 nan 8.230 nan 0.000 0.467 223 G N -1.291 107.056 108.800 -0.756 0.000 3.042 223 G HA2 0.313 4.273 3.960 -0.000 0.000 0.212 223 G HA3 0.313 4.273 3.960 -0.000 0.000 0.212 223 G C 1.291 176.067 174.900 -0.207 0.000 1.166 223 G CA 0.640 45.252 45.100 -0.814 0.000 0.767 223 G HN 0.460 nan 8.290 nan 0.000 0.546 224 G N 0.253 108.961 108.800 -0.155 0.000 2.454 224 G HA2 -0.247 3.712 3.960 -0.000 0.000 0.225 224 G HA3 -0.247 3.712 3.960 -0.000 0.000 0.225 224 G C 0.379 175.267 174.900 -0.020 0.000 1.138 224 G CA 0.941 46.024 45.100 -0.028 0.000 0.667 224 G HN 1.315 nan 8.290 nan 0.000 0.512 225 K N -0.826 119.564 120.400 -0.016 0.000 2.711 225 K HA 0.575 4.894 4.320 -0.000 0.000 0.294 225 K C -1.972 174.618 176.600 -0.016 0.000 1.037 225 K CA -0.734 55.545 56.287 -0.014 0.000 0.858 225 K CB 1.228 33.736 32.500 0.013 0.000 1.521 225 K HN 0.505 nan 8.250 nan 0.000 0.386 226 N N 1.288 119.964 118.700 -0.040 0.000 2.406 226 N HA 0.406 5.146 4.740 -0.000 0.000 0.283 226 N C -2.932 172.524 175.510 -0.090 0.000 1.074 226 N CA -0.915 52.095 53.050 -0.067 0.000 0.916 226 N CB 2.002 40.416 38.487 -0.121 0.000 1.639 226 N HN 0.590 nan 8.380 nan 0.000 0.485 227 P HA 0.413 nan 4.420 nan 0.000 0.274 227 P C -1.184 176.097 177.300 -0.032 0.000 1.237 227 P CA 0.453 63.468 63.100 -0.141 0.000 0.793 227 P CB 0.254 31.769 31.700 -0.308 0.000 0.977 228 H N -1.767 117.349 119.070 0.076 0.000 3.371 228 H HA -0.085 4.471 4.556 -0.000 0.000 0.368 228 H C 0.001 175.408 175.328 0.132 0.000 1.178 228 H CA 0.208 56.322 56.048 0.110 0.000 1.191 228 H CB -2.176 27.633 29.762 0.077 0.000 1.547 228 H HN 0.589 nan 8.280 nan 0.000 0.411 229 T N -1.103 113.643 114.554 0.320 0.000 2.734 229 T HA 0.321 4.671 4.350 -0.000 0.000 0.314 229 T C 0.744 175.643 174.700 0.332 0.000 1.057 229 T CA -0.308 61.978 62.100 0.310 0.000 1.047 229 T CB 1.881 71.012 68.868 0.439 0.000 0.991 229 T HN 0.566 nan 8.240 nan 0.000 0.540 230 Q N 0.604 120.617 119.800 0.355 0.000 3.853 230 Q HA 0.374 4.714 4.340 -0.000 0.000 0.220 230 Q C -0.793 175.400 176.000 0.321 0.000 0.826 230 Q CA -0.481 55.491 55.803 0.283 0.000 0.821 230 Q CB 0.187 29.035 28.738 0.183 0.000 1.546 230 Q HN 0.872 nan 8.270 nan 0.000 0.410 231 F N -2.300 117.691 119.950 0.068 0.000 2.964 231 F HA 0.347 4.874 4.527 -0.000 0.000 0.371 231 F C 0.211 176.019 175.800 0.014 0.000 1.026 231 F CA -0.331 57.680 58.000 0.019 0.000 1.106 231 F CB 0.454 39.438 39.000 -0.027 0.000 1.135 231 F HN 0.014 nan 8.300 nan 0.000 0.557 232 T N 2.023 116.171 114.554 -0.675 0.000 2.845 232 T HA 0.655 5.004 4.350 -0.000 0.000 0.288 232 T C -0.239 174.312 174.700 -0.249 0.000 0.980 232 T CA -0.131 61.622 62.100 -0.578 0.000 1.071 232 T CB 1.833 70.347 68.868 -0.591 0.000 0.941 232 T HN 0.578 nan 8.240 nan 0.000 0.487 233 V N 0.005 119.804 119.914 -0.193 0.000 3.102 233 V HA 0.726 4.846 4.120 -0.000 0.000 0.312 233 V C -0.032 175.965 176.094 -0.162 0.000 1.135 233 V CA -1.402 60.842 62.300 -0.094 0.000 1.022 233 V CB 1.594 33.421 31.823 0.006 0.000 1.056 233 V HN 0.768 nan 8.190 nan 0.000 0.436 234 V N 3.008 122.803 119.914 -0.199 0.000 2.509 234 V HA 0.467 4.587 4.120 -0.000 0.000 0.297 234 V C 1.645 177.481 176.094 -0.430 0.000 1.014 234 V CA 1.845 63.851 62.300 -0.490 0.000 1.127 234 V CB -0.279 30.938 31.823 -1.010 0.000 0.925 234 V HN 1.903 nan 8.190 nan 0.000 0.480 235 G N 2.952 111.532 108.800 -0.366 0.000 2.195 235 G HA2 0.135 4.095 3.960 -0.000 0.000 0.224 235 G HA3 0.135 4.095 3.960 -0.000 0.000 0.224 235 G C 0.599 175.454 174.900 -0.076 0.000 0.990 235 G CA -0.016 44.989 45.100 -0.159 0.000 0.639 235 G HN 1.868 nan 8.290 nan 0.000 0.514 236 G N -1.769 106.962 108.800 -0.116 0.000 2.530 236 G HA2 0.432 4.392 3.960 -0.000 0.000 0.081 236 G HA3 0.432 4.392 3.960 -0.000 0.000 0.081 236 G C -0.633 174.175 174.900 -0.154 0.000 1.062 236 G CA 0.603 45.639 45.100 -0.106 0.000 1.108 236 G HN 1.365 nan 8.290 nan 0.000 0.466 237 C N -0.143 119.074 119.300 -0.138 0.000 3.080 237 C HA 0.754 5.214 4.460 -0.000 0.000 0.307 237 C C 1.484 176.373 174.990 -0.168 0.000 1.311 237 C CA 0.311 59.230 59.018 -0.165 0.000 1.533 237 C CB 1.538 29.238 27.740 -0.066 0.000 1.970 237 C HN 1.235 nan 8.230 nan 0.000 0.467 238 S N -0.197 115.438 115.700 -0.110 0.000 2.523 238 S HA 0.034 4.504 4.470 -0.000 0.000 0.217 238 S C 0.222 174.707 174.600 -0.191 0.000 0.996 238 S CA 0.311 58.441 58.200 -0.117 0.000 0.921 238 S CB -0.350 62.863 63.200 0.022 0.000 0.829 238 S HN 0.729 nan 8.310 nan 0.000 0.495 239 N N 1.204 119.819 118.700 -0.141 0.000 2.868 239 N HA 0.261 5.001 4.740 -0.000 0.000 0.252 239 N C -0.125 175.306 175.510 -0.131 0.000 1.130 239 N CA -0.650 52.362 53.050 -0.065 0.000 1.026 239 N CB -0.439 38.060 38.487 0.020 0.000 1.335 239 N HN 0.262 nan 8.380 nan 0.000 0.516 240 Y N 0.675 120.997 120.300 0.037 0.000 2.274 240 Y HA -0.150 4.400 4.550 -0.000 0.000 0.290 240 Y C 2.354 178.257 175.900 0.006 0.000 1.145 240 Y CA 1.189 59.302 58.100 0.022 0.000 1.203 240 Y CB -0.082 38.391 38.460 0.022 0.000 0.984 240 Y HN 0.560 nan 8.280 nan 0.000 0.533 241 Q N 0.111 119.991 119.800 0.133 0.000 2.170 241 Q HA -0.134 4.206 4.340 -0.000 0.000 0.203 241 Q C 2.280 178.287 176.000 0.011 0.000 0.976 241 Q CA 1.399 57.242 55.803 0.065 0.000 0.858 241 Q CB -0.520 28.245 28.738 0.044 0.000 0.907 241 Q HN 0.525 nan 8.270 nan 0.000 0.433 242 G N 0.462 109.244 108.800 -0.030 0.000 2.625 242 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.214 242 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.214 242 G C 1.044 175.897 174.900 -0.078 0.000 1.132 242 G CA 0.163 45.206 45.100 -0.095 0.000 0.782 242 G HN 0.326 nan 8.290 nan 0.000 0.538 243 L N 1.238 122.451 121.223 -0.018 0.000 2.628 243 L HA 0.184 4.524 4.340 -0.000 0.000 0.229 243 L C 1.262 178.142 176.870 0.016 0.000 1.137 243 L CA 0.014 54.855 54.840 0.001 0.000 0.909 243 L CB -0.099 41.984 42.059 0.039 0.000 1.137 243 L HN 0.194 nan 8.230 nan 0.000 0.470 244 T N -4.702 109.860 114.554 0.013 0.000 2.944 244 T HA 0.187 4.537 4.350 -0.000 0.000 0.284 244 T C 0.956 175.666 174.700 0.016 0.000 1.010 244 T CA -0.750 61.363 62.100 0.021 0.000 1.025 244 T CB 2.415 71.299 68.868 0.026 0.000 1.079 244 T HN -0.038 nan 8.240 nan 0.000 0.516 245 K N 0.397 120.809 120.400 0.020 0.000 2.001 245 K HA -0.224 4.096 4.320 -0.000 0.000 0.214 245 K C 1.412 178.025 176.600 0.022 0.000 1.050 245 K CA 2.275 58.574 56.287 0.021 0.000 0.934 245 K CB -0.398 32.114 32.500 0.019 0.000 0.718 245 K HN 0.637 nan 8.250 nan 0.000 0.443 246 D N -0.229 120.182 120.400 0.019 0.000 2.097 246 D HA -0.074 4.565 4.640 -0.000 0.000 0.197 246 D C -0.795 175.519 176.300 0.023 0.000 0.984 246 D CA 1.091 55.103 54.000 0.019 0.000 0.826 246 D CB -1.435 39.374 40.800 0.015 0.000 0.973 246 D HN 0.270 nan 8.370 nan 0.000 0.460 247 P HA -0.086 nan 4.420 nan 0.000 0.216 247 P C 1.611 178.932 177.300 0.035 0.000 1.153 247 P CA 0.862 63.969 63.100 0.011 0.000 0.858 247 P CB 0.016 31.707 31.700 -0.016 0.000 0.789 248 L N -1.838 119.405 121.223 0.034 0.000 2.313 248 L HA 0.006 4.346 4.340 -0.000 0.000 0.214 248 L C 2.328 179.267 176.870 0.116 0.000 1.119 248 L CA 0.861 55.748 54.840 0.078 0.000 0.809 248 L CB -0.767 41.319 42.059 0.044 0.000 0.933 248 L HN -0.053 nan 8.230 nan 0.000 0.449 249 A N 0.119 122.981 122.820 0.071 0.000 1.929 249 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 249 A C 2.040 179.657 177.584 0.056 0.000 1.176 249 A CA 1.677 53.747 52.037 0.055 0.000 0.628 249 A CB -0.461 18.559 19.000 0.034 0.000 0.816 249 A HN 0.385 nan 8.150 nan 0.000 0.444 250 N N -1.351 117.387 118.700 0.064 0.000 2.171 250 N HA -0.161 4.579 4.740 -0.000 0.000 0.184 250 N C 1.545 177.108 175.510 0.089 0.000 1.021 250 N CA 1.560 54.645 53.050 0.058 0.000 0.854 250 N CB -0.487 38.029 38.487 0.048 0.000 0.994 250 N HN 0.495 nan 8.380 nan 0.000 0.426 251 Y N 0.722 121.010 120.300 -0.020 0.000 2.128 251 Y HA -0.157 4.393 4.550 -0.000 0.000 0.284 251 Y C 2.144 178.037 175.900 -0.011 0.000 1.154 251 Y CA 1.427 59.513 58.100 -0.024 0.000 1.149 251 Y CB -0.747 37.694 38.460 -0.032 0.000 0.976 251 Y HN 0.148 nan 8.280 nan 0.000 0.505 252 L N 0.492 121.737 121.223 0.036 0.000 2.012 252 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 252 L C 2.457 179.280 176.870 -0.078 0.000 1.073 252 L CA 2.247 57.053 54.840 -0.057 0.000 0.748 252 L CB -1.341 40.729 42.059 0.017 0.000 0.891 252 L HN 0.260 nan 8.230 nan 0.000 0.431 253 A N -0.493 122.307 122.820 -0.034 0.000 1.858 253 A HA -0.173 4.146 4.320 -0.000 0.000 0.216 253 A C 2.263 179.819 177.584 -0.048 0.000 1.190 253 A CA 2.021 54.039 52.037 -0.031 0.000 0.617 253 A CB -0.982 18.013 19.000 -0.010 0.000 0.827 253 A HN 0.495 nan 8.150 nan 0.000 0.443 254 L N -0.407 120.783 121.223 -0.055 0.000 2.012 254 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 254 L C 2.885 179.697 176.870 -0.098 0.000 1.073 254 L CA 1.665 56.468 54.840 -0.063 0.000 0.748 254 L CB -0.554 41.474 42.059 -0.052 0.000 0.891 254 L HN 0.335 nan 8.230 nan 0.000 0.431 255 S N -0.436 115.152 115.700 -0.187 0.000 2.383 255 S HA -0.198 4.272 4.470 -0.000 0.000 0.229 255 S C 1.939 176.475 174.600 -0.108 0.000 1.030 255 S CA 1.353 59.428 58.200 -0.208 0.000 1.002 255 S CB -0.121 62.839 63.200 -0.399 0.000 0.829 255 S HN 0.339 nan 8.310 nan 0.000 0.467 256 K N 0.950 121.297 120.400 -0.088 0.000 2.155 256 K HA -0.007 4.313 4.320 -0.000 0.000 0.203 256 K C 2.137 178.726 176.600 -0.018 0.000 1.052 256 K CA 0.933 57.190 56.287 -0.050 0.000 0.948 256 K CB -0.036 32.437 32.500 -0.045 0.000 0.728 256 K HN 0.381 nan 8.250 nan 0.000 0.448 257 E N 0.217 120.407 120.200 -0.017 0.000 2.077 257 E HA -0.164 4.186 4.350 -0.000 0.000 0.193 257 E C 1.927 178.551 176.600 0.040 0.000 0.989 257 E CA 1.196 57.600 56.400 0.007 0.000 0.800 257 E CB 0.063 29.759 29.700 -0.007 0.000 0.746 257 E HN 0.030 nan 8.360 nan 0.000 0.452 258 V N 0.659 120.589 119.914 0.026 0.000 2.343 258 V HA -0.297 3.823 4.120 -0.000 0.000 0.247 258 V C 2.357 178.530 176.094 0.132 0.000 1.051 258 V CA 1.447 63.791 62.300 0.074 0.000 1.036 258 V CB -0.375 31.476 31.823 0.048 0.000 0.654 258 V HN 0.469 nan 8.190 nan 0.000 0.451 259 c N -0.603 118.038 118.600 0.067 0.000 2.440 259 c HA -0.154 4.416 4.570 -0.000 0.000 0.278 259 c C 2.838 176.958 174.090 0.050 0.000 1.295 259 c CA 1.238 57.598 56.329 0.052 0.000 1.738 259 c CB -0.915 41.591 42.510 -0.006 0.000 1.987 259 c HN 0.689 nan 8.230 nan 0.000 0.492 260 Q N -0.062 119.768 119.800 0.050 0.000 2.096 260 Q HA -0.268 4.072 4.340 -0.000 0.000 0.204 260 Q C 2.030 178.075 176.000 0.075 0.000 0.982 260 Q CA 1.930 57.758 55.803 0.042 0.000 0.850 260 Q CB -0.414 28.347 28.738 0.039 0.000 0.901 260 Q HN 0.656 nan 8.270 nan 0.000 0.422 261 F N 0.176 120.116 119.950 -0.015 0.000 2.171 261 F HA -0.173 4.354 4.527 -0.000 0.000 0.300 261 F C 1.932 177.756 175.800 0.040 0.000 1.090 261 F CA 1.155 59.148 58.000 -0.012 0.000 1.293 261 F CB -0.152 38.841 39.000 -0.011 0.000 1.013 261 F HN -0.069 nan 8.300 nan 0.000 0.486 262 V N 0.829 120.830 119.914 0.145 0.000 2.343 262 V HA -0.331 3.789 4.120 -0.000 0.000 0.247 262 V C 2.030 178.088 176.094 -0.060 0.000 1.051 262 V CA 2.260 64.630 62.300 0.117 0.000 1.036 262 V CB -0.676 31.246 31.823 0.164 0.000 0.654 262 V HN 0.388 nan 8.190 nan 0.000 0.451 263 N N -0.364 118.290 118.700 -0.076 0.000 2.333 263 N HA -0.077 4.663 4.740 -0.000 0.000 0.178 263 N C 1.761 177.185 175.510 -0.143 0.000 1.018 263 N CA 0.902 53.881 53.050 -0.118 0.000 0.882 263 N CB -0.070 38.362 38.487 -0.090 0.000 0.984 263 N HN 0.594 nan 8.380 nan 0.000 0.434 264 E N -0.539 119.563 120.200 -0.163 0.000 2.230 264 E HA 0.061 4.411 4.350 -0.000 0.000 0.192 264 E C 1.087 177.512 176.600 -0.292 0.000 0.987 264 E CA 0.520 56.808 56.400 -0.186 0.000 0.841 264 E CB 0.338 29.948 29.700 -0.149 0.000 0.783 264 E HN 0.298 nan 8.360 nan 0.000 0.481 265 C N -1.043 117.982 119.300 -0.458 0.000 2.508 265 C HA 0.088 4.548 4.460 -0.000 0.000 0.407 265 C C 2.173 177.040 174.990 -0.205 0.000 1.494 265 C CA -0.484 58.170 59.018 -0.606 0.000 2.531 265 C CB -0.832 26.093 27.740 -1.358 0.000 2.480 265 C HN 0.433 nan 8.230 nan 0.000 0.614 266 Y N 2.954 123.043 120.300 -0.350 0.000 2.049 266 Y HA -0.112 4.437 4.550 -0.000 0.000 0.277 266 Y C 2.218 177.885 175.900 -0.388 0.000 1.143 266 Y CA 1.615 59.572 58.100 -0.238 0.000 1.115 266 Y CB -0.924 37.448 38.460 -0.147 0.000 0.975 266 Y HN 0.158 nan 8.280 nan 0.000 0.487 267 I N 0.811 121.145 120.570 -0.394 0.000 2.179 267 I HA -0.206 3.964 4.170 -0.000 0.000 0.242 267 I C -0.340 175.595 176.117 -0.303 0.000 1.088 267 I CA 1.469 62.478 61.300 -0.484 0.000 1.357 267 I CB -2.792 34.973 38.000 -0.391 0.000 1.051 267 I HN 0.181 nan 8.210 nan 0.000 0.409 268 P HA -0.122 nan 4.420 nan 0.000 0.215 268 P C 1.187 178.461 177.300 -0.043 0.000 1.157 268 P CA 1.457 64.495 63.100 -0.103 0.000 0.868 268 P CB 0.022 31.682 31.700 -0.067 0.000 0.788 269 D N -1.007 119.404 120.400 0.018 0.000 2.144 269 D HA -0.133 4.507 4.640 -0.000 0.000 0.199 269 D C 1.840 178.170 176.300 0.051 0.000 0.984 269 D CA 0.875 54.962 54.000 0.145 0.000 0.834 269 D CB -0.847 40.183 40.800 0.383 0.000 0.955 269 D HN 0.034 nan 8.370 nan 0.000 0.465 270 L N 0.470 121.558 121.223 -0.226 0.000 2.046 270 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 270 L C 2.097 178.834 176.870 -0.221 0.000 1.077 270 L CA 1.411 56.027 54.840 -0.374 0.000 0.747 270 L CB -0.486 41.135 42.059 -0.729 0.000 0.896 270 L HN 0.018 nan 8.230 nan 0.000 0.432 271 L N -0.779 120.326 121.223 -0.197 0.000 2.093 271 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 271 L C 2.674 179.508 176.870 -0.061 0.000 1.085 271 L CA 1.006 55.761 54.840 -0.142 0.000 0.755 271 L CB -1.004 40.967 42.059 -0.145 0.000 0.904 271 L HN 0.374 nan 8.230 nan 0.000 0.435 272 A N -0.085 122.738 122.820 0.005 0.000 1.877 272 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 272 A C 2.353 180.074 177.584 0.228 0.000 1.186 272 A CA 1.855 53.962 52.037 0.118 0.000 0.620 272 A CB -0.882 18.224 19.000 0.177 0.000 0.822 272 A HN 0.168 nan 8.150 nan 0.000 0.443 273 V N -0.205 119.808 119.914 0.165 0.000 2.343 273 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 273 V C 3.025 179.222 176.094 0.172 0.000 1.051 273 V CA 1.961 64.379 62.300 0.197 0.000 1.036 273 V CB -1.087 30.724 31.823 -0.020 0.000 0.654 273 V HN 0.626 nan 8.190 nan 0.000 0.451 274 A N 0.283 123.095 122.820 -0.014 0.000 1.969 274 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 274 A C 2.408 180.016 177.584 0.039 0.000 1.169 274 A CA 1.644 53.660 52.037 -0.034 0.000 0.635 274 A CB -1.082 17.844 19.000 -0.123 0.000 0.810 274 A HN 0.523 nan 8.150 nan 0.000 0.445 275 G N -1.031 107.759 108.800 -0.017 0.000 2.440 275 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.218 275 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.218 275 G C 1.277 176.078 174.900 -0.165 0.000 1.154 275 G CA 1.199 46.214 45.100 -0.143 0.000 0.767 275 G HN 0.458 nan 8.290 nan 0.000 0.552 276 F N -1.189 118.798 119.950 0.062 0.000 2.512 276 F HA 0.255 4.781 4.527 -0.000 0.000 0.296 276 F C 1.106 176.938 175.800 0.053 0.000 1.110 276 F CA 0.280 58.287 58.000 0.012 0.000 1.446 276 F CB 0.130 39.098 39.000 -0.054 0.000 1.092 276 F HN 0.093 nan 8.300 nan 0.000 0.554 277 Y N -0.315 120.206 120.300 0.368 0.000 2.774 277 Y HA 0.223 4.773 4.550 -0.000 0.000 0.305 277 Y C 1.442 177.559 175.900 0.362 0.000 1.067 277 Y CA -0.785 57.590 58.100 0.457 0.000 1.304 277 Y CB -0.407 38.236 38.460 0.304 0.000 1.209 277 Y HN -0.128 nan 8.280 nan 0.000 0.543 278 K N 0.525 121.115 120.400 0.317 0.000 2.189 278 K HA -0.251 4.069 4.320 -0.000 0.000 0.207 278 K C 1.373 178.122 176.600 0.248 0.000 1.046 278 K CA 2.009 58.419 56.287 0.204 0.000 0.928 278 K CB -0.113 32.444 32.500 0.095 0.000 0.720 278 K HN 0.589 nan 8.250 nan 0.000 0.458 279 D N -0.469 120.124 120.400 0.323 0.000 2.263 279 D HA -0.195 4.444 4.640 -0.000 0.000 0.208 279 D C 1.191 177.602 176.300 0.185 0.000 0.971 279 D CA 0.835 54.975 54.000 0.233 0.000 0.867 279 D CB -0.673 40.263 40.800 0.227 0.000 0.929 279 D HN 0.281 nan 8.370 nan 0.000 0.492 280 W N 1.254 122.711 121.300 0.261 0.000 3.077 280 W HA 0.378 5.038 4.660 -0.000 0.000 0.245 280 W C 2.189 178.805 176.519 0.161 0.000 1.316 280 W CA 0.445 57.936 57.345 0.244 0.000 1.537 280 W CB 0.067 29.738 29.460 0.351 0.000 1.131 280 W HN 0.108 nan 8.180 nan 0.000 0.695 281 G N -0.606 108.336 108.800 0.237 0.000 2.920 281 G HA2 0.120 4.080 3.960 -0.000 0.000 0.208 281 G HA3 0.120 4.080 3.960 -0.000 0.000 0.208 281 G C 1.310 176.272 174.900 0.103 0.000 1.159 281 G CA 0.581 45.770 45.100 0.149 0.000 0.784 281 G HN 0.296 nan 8.290 nan 0.000 0.535 282 G N -0.024 108.811 108.800 0.059 0.000 3.735 282 G HA2 0.479 4.439 3.960 -0.000 0.000 0.283 282 G HA3 0.479 4.439 3.960 -0.000 0.000 0.283 282 G C -0.104 174.776 174.900 -0.034 0.000 1.007 282 G CA -0.270 44.841 45.100 0.020 0.000 0.821 282 G HN 0.287 nan 8.290 nan 0.000 0.505 283 I N -0.458 120.079 120.570 -0.056 0.000 2.608 283 I HA 0.547 4.716 4.170 -0.000 0.000 0.295 283 I C 1.008 177.149 176.117 0.041 0.000 1.049 283 I CA -0.438 60.788 61.300 -0.123 0.000 1.063 283 I CB 2.301 39.998 38.000 -0.506 0.000 1.248 283 I HN 0.150 nan 8.210 nan 0.000 0.424 284 G N 3.540 112.381 108.800 0.068 0.000 2.136 284 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.242 284 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.242 284 G C 0.376 175.381 174.900 0.175 0.000 0.989 284 G CA -0.084 45.113 45.100 0.162 0.000 0.682 284 G HN 1.051 nan 8.290 nan 0.000 0.522 285 G N -0.482 108.407 108.800 0.148 0.000 2.507 285 G HA2 0.763 4.723 3.960 -0.000 0.000 0.271 285 G HA3 0.763 4.723 3.960 -0.000 0.000 0.271 285 G C 0.379 175.361 174.900 0.138 0.000 1.189 285 G CA 0.976 46.184 45.100 0.179 0.000 0.859 285 G HN 1.383 nan 8.290 nan 0.000 0.542 286 T N -2.599 112.033 114.554 0.130 0.000 2.742 286 T HA 0.629 4.979 4.350 -0.000 0.000 0.282 286 T C 0.732 175.340 174.700 -0.153 0.000 1.025 286 T CA -0.198 61.902 62.100 -0.001 0.000 1.020 286 T CB 1.751 70.622 68.868 0.005 0.000 1.317 286 T HN 0.253 nan 8.240 nan 0.000 0.538 287 S N 0.096 115.636 115.700 -0.266 0.000 2.554 287 S HA 0.318 4.788 4.470 -0.000 0.000 0.227 287 S C 0.023 174.388 174.600 -0.391 0.000 1.050 287 S CA -0.383 57.635 58.200 -0.303 0.000 0.927 287 S CB 0.038 63.127 63.200 -0.184 0.000 0.859 287 S HN 0.707 nan 8.310 nan 0.000 0.494 288 N N 0.972 119.369 118.700 -0.504 0.000 2.314 288 N HA 0.497 5.237 4.740 -0.000 0.000 0.294 288 N C -1.626 173.510 175.510 -0.623 0.000 1.029 288 N CA -0.257 52.552 53.050 -0.401 0.000 0.845 288 N CB 1.352 39.723 38.487 -0.194 0.000 1.321 288 N HN 0.155 nan 8.380 nan 0.000 0.481 289 Y N 0.411 120.662 120.300 -0.081 0.000 2.499 289 Y HA 0.650 5.200 4.550 -0.000 0.000 0.347 289 Y C -0.303 175.469 175.900 -0.214 0.000 0.987 289 Y CA -1.144 56.900 58.100 -0.094 0.000 1.044 289 Y CB 2.182 40.644 38.460 0.004 0.000 1.245 289 Y HN 0.370 nan 8.280 nan 0.000 0.461 290 L N 2.029 123.164 121.223 -0.148 0.000 2.455 290 L HA 0.996 5.336 4.340 -0.000 0.000 0.264 290 L C -1.560 175.094 176.870 -0.360 0.000 0.968 290 L CA -0.422 54.195 54.840 -0.371 0.000 0.827 290 L CB 1.968 43.590 42.059 -0.728 0.000 1.317 290 L HN 0.725 nan 8.230 nan 0.000 0.407 291 A N 3.584 126.223 122.820 -0.301 0.000 2.515 291 A HA 0.613 4.933 4.320 -0.000 0.000 0.298 291 A C -0.493 177.005 177.584 -0.143 0.000 1.059 291 A CA -0.478 51.402 52.037 -0.262 0.000 0.698 291 A CB 0.819 19.768 19.000 -0.085 0.000 1.289 291 A HN 0.781 nan 8.150 nan 0.000 0.404 292 F N 1.727 121.681 119.950 0.007 0.000 2.743 292 F HA 0.389 4.916 4.527 -0.000 0.000 0.297 292 F C 1.635 177.502 175.800 0.113 0.000 1.131 292 F CA 0.823 58.864 58.000 0.069 0.000 1.426 292 F CB 0.375 39.420 39.000 0.076 0.000 1.116 292 F HN 1.059 nan 8.300 nan 0.000 0.583 293 G N 1.370 110.301 108.800 0.218 0.000 2.730 293 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.686 293 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.686 293 G C -1.359 173.594 174.900 0.088 0.000 1.343 293 G CA -0.828 44.338 45.100 0.110 0.000 0.826 293 G HN 0.187 nan 8.290 nan 0.000 0.582 294 E N -1.162 119.025 120.200 -0.022 0.000 2.430 294 E HA 0.743 5.093 4.350 -0.000 0.000 0.279 294 E C 0.079 176.440 176.600 -0.398 0.000 1.003 294 E CA -0.550 55.657 56.400 -0.323 0.000 0.801 294 E CB 0.726 30.024 29.700 -0.669 0.000 1.313 294 E HN 1.515 nan 8.360 nan 0.000 0.459 295 F N -0.548 119.272 119.950 -0.218 0.000 3.006 295 F HA -0.141 4.385 4.527 -0.000 0.000 0.318 295 F C 0.174 175.846 175.800 -0.213 0.000 0.936 295 F CA 0.304 58.085 58.000 -0.366 0.000 1.151 295 F CB -1.659 37.022 39.000 -0.533 0.000 1.212 295 F HN 0.404 nan 8.300 nan 0.000 0.687 296 A N 0.369 123.144 122.820 -0.076 0.000 2.371 296 A HA 0.551 4.871 4.320 -0.000 0.000 0.257 296 A C 1.336 178.906 177.584 -0.022 0.000 1.089 296 A CA 0.259 52.254 52.037 -0.071 0.000 0.794 296 A CB 0.465 19.394 19.000 -0.120 0.000 1.029 296 A HN 0.564 nan 8.150 nan 0.000 0.488 297 T N -1.374 113.182 114.554 0.004 0.000 3.067 297 T HA 0.100 4.450 4.350 -0.000 0.000 0.257 297 T C 0.080 174.786 174.700 0.011 0.000 1.105 297 T CA 0.993 63.104 62.100 0.018 0.000 1.104 297 T CB -0.042 68.851 68.868 0.042 0.000 0.925 297 T HN 0.601 nan 8.240 nan 0.000 0.498 298 D N 0.777 121.180 120.400 0.006 0.000 2.476 298 D HA 0.228 4.868 4.640 -0.000 0.000 0.251 298 D C -1.181 175.129 176.300 0.017 0.000 1.291 298 D CA -0.475 53.531 54.000 0.010 0.000 0.939 298 D CB 1.168 41.975 40.800 0.013 0.000 1.221 298 D HN -0.111 nan 8.370 nan 0.000 0.567 299 D N 1.836 122.245 120.400 0.014 0.000 2.615 299 D HA 0.015 4.655 4.640 -0.000 0.000 0.236 299 D C 1.432 177.728 176.300 -0.008 0.000 1.233 299 D CA 0.127 54.140 54.000 0.021 0.000 0.829 299 D CB 0.628 41.433 40.800 0.008 0.000 1.024 299 D HN 0.391 nan 8.370 nan 0.000 0.490 300 S N -0.731 114.968 115.700 -0.002 0.000 2.453 300 S HA -0.037 4.433 4.470 -0.000 0.000 0.231 300 S C 1.066 175.654 174.600 -0.019 0.000 1.005 300 S CA 0.145 58.339 58.200 -0.010 0.000 0.949 300 S CB 0.096 63.296 63.200 0.000 0.000 0.774 300 S HN 0.214 nan 8.310 nan 0.000 0.510 301 S N -0.605 115.087 115.700 -0.013 0.000 2.615 301 S HA 0.564 5.034 4.470 -0.000 0.000 0.269 301 S C -2.983 171.604 174.600 -0.022 0.000 1.161 301 S CA -1.191 56.993 58.200 -0.026 0.000 0.817 301 S CB 1.075 64.268 63.200 -0.012 0.000 1.131 301 S HN -0.048 nan 8.310 nan 0.000 0.467 302 P HA -0.008 nan 4.420 nan 0.000 0.215 302 P C 1.438 178.740 177.300 0.004 0.000 1.153 302 P CA 1.514 64.567 63.100 -0.077 0.000 0.853 302 P CB -0.121 31.497 31.700 -0.137 0.000 0.788 303 S N -0.600 115.106 115.700 0.009 0.000 2.368 303 S HA -0.123 4.347 4.470 -0.000 0.000 0.225 303 S C 1.806 176.428 174.600 0.037 0.000 1.030 303 S CA 1.191 59.409 58.200 0.029 0.000 0.999 303 S CB -0.551 62.665 63.200 0.027 0.000 0.844 303 S HN 0.151 nan 8.310 nan 0.000 0.459 304 K N 0.482 120.903 120.400 0.035 0.000 2.103 304 K HA -0.019 4.301 4.320 -0.000 0.000 0.204 304 K C 1.930 178.550 176.600 0.033 0.000 1.052 304 K CA 1.026 57.331 56.287 0.029 0.000 0.945 304 K CB -0.590 31.924 32.500 0.022 0.000 0.722 304 K HN 0.521 nan 8.250 nan 0.000 0.443 305 H N 1.301 120.350 119.070 -0.034 0.000 2.289 305 H HA -0.057 4.499 4.556 -0.000 0.000 0.296 305 H C 1.995 177.319 175.328 -0.007 0.000 1.091 305 H CA 1.967 57.991 56.048 -0.039 0.000 1.274 305 H CB -0.244 29.471 29.762 -0.079 0.000 1.364 305 H HN 0.007 nan 8.280 nan 0.000 0.490 306 L N -0.452 120.794 121.223 0.038 0.000 2.131 306 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 306 L C 2.695 179.553 176.870 -0.020 0.000 1.092 306 L CA 0.989 55.843 54.840 0.023 0.000 0.759 306 L CB -0.419 41.695 42.059 0.092 0.000 0.903 306 L HN 0.487 nan 8.230 nan 0.000 0.435 307 A N -0.834 121.979 122.820 -0.012 0.000 2.030 307 A HA -0.068 4.252 4.320 -0.000 0.000 0.215 307 A C 2.077 179.655 177.584 -0.010 0.000 1.164 307 A CA 1.417 53.454 52.037 0.001 0.000 0.697 307 A CB -0.363 18.646 19.000 0.015 0.000 0.827 307 A HN 0.435 nan 8.150 nan 0.000 0.457 308 T N -3.370 111.161 114.554 -0.038 0.000 3.085 308 T HA 0.261 4.611 4.350 -0.000 0.000 0.264 308 T C 0.390 175.066 174.700 -0.040 0.000 1.019 308 T CA 0.190 62.278 62.100 -0.020 0.000 0.910 308 T CB -0.178 68.686 68.868 -0.007 0.000 1.059 308 T HN 0.041 nan 8.240 nan 0.000 0.542 309 S N 2.625 118.253 115.700 -0.119 0.000 2.546 309 S HA 0.066 4.536 4.470 -0.000 0.000 0.290 309 S C 1.318 175.975 174.600 0.095 0.000 1.262 309 S CA -0.298 57.839 58.200 -0.104 0.000 1.083 309 S CB 0.739 63.811 63.200 -0.214 0.000 0.859 309 S HN 0.525 nan 8.310 nan 0.000 0.495 310 Q N 1.647 121.571 119.800 0.207 0.000 2.224 310 Q HA -0.021 4.319 4.340 -0.000 0.000 0.203 310 Q C -0.370 175.991 176.000 0.603 0.000 0.970 310 Q CA 0.857 56.872 55.803 0.354 0.000 0.865 310 Q CB 0.035 29.019 28.738 0.410 0.000 0.922 310 Q HN 0.580 nan 8.270 nan 0.000 0.445 311 F N 2.492 122.619 119.950 0.294 0.000 2.377 311 F HA 0.275 4.801 4.527 -0.000 0.000 0.360 311 F C -1.926 173.913 175.800 0.065 0.000 1.147 311 F CA -3.748 54.400 58.000 0.245 0.000 1.170 311 F CB 0.275 39.514 39.000 0.399 0.000 1.339 311 F HN -0.054 nan 8.300 nan 0.000 0.552 312 P HA 0.128 nan 4.420 nan 0.000 0.274 312 P C -0.201 177.115 177.300 0.026 0.000 1.237 312 P CA -0.232 62.899 63.100 0.052 0.000 0.793 312 P CB 1.182 32.886 31.700 0.008 0.000 0.977 313 S N -0.023 115.693 115.700 0.027 0.000 2.672 313 S HA 0.830 5.300 4.470 -0.000 0.000 0.276 313 S C 0.308 174.922 174.600 0.023 0.000 1.207 313 S CA 0.107 58.336 58.200 0.047 0.000 1.002 313 S CB 0.638 63.897 63.200 0.098 0.000 0.998 313 S HN 0.903 nan 8.310 nan 0.000 0.542 314 G N -0.775 108.032 108.800 0.012 0.000 2.327 314 G HA2 0.444 4.404 3.960 -0.000 0.000 0.291 314 G HA3 0.444 4.404 3.960 -0.000 0.000 0.291 314 G C -1.962 172.906 174.900 -0.053 0.000 1.290 314 G CA -0.215 44.885 45.100 -0.001 0.000 0.857 314 G HN 1.426 nan 8.290 nan 0.000 0.520 315 V N 0.485 120.373 119.914 -0.044 0.000 2.655 315 V HA 0.554 4.674 4.120 -0.000 0.000 0.301 315 V C -0.447 175.638 176.094 -0.015 0.000 1.082 315 V CA -0.408 61.833 62.300 -0.098 0.000 0.899 315 V CB 1.501 33.227 31.823 -0.161 0.000 1.014 315 V HN 0.718 nan 8.190 nan 0.000 0.429 316 I N 3.328 123.913 120.570 0.024 0.000 2.441 316 I HA 0.641 4.811 4.170 -0.000 0.000 0.295 316 I C -0.015 176.129 176.117 0.045 0.000 0.994 316 I CA -0.041 61.298 61.300 0.066 0.000 1.144 316 I CB 2.372 40.453 38.000 0.135 0.000 1.314 316 I HN 0.575 nan 8.210 nan 0.000 0.445 317 T N 3.507 118.073 114.554 0.020 0.000 2.861 317 T HA 0.471 4.821 4.350 -0.000 0.000 0.287 317 T C 0.416 175.098 174.700 -0.030 0.000 1.003 317 T CA -0.168 61.926 62.100 -0.009 0.000 0.977 317 T CB 1.662 70.541 68.868 0.019 0.000 0.996 317 T HN 0.993 nan 8.240 nan 0.000 0.448 318 G N 2.996 111.754 108.800 -0.070 0.000 2.273 318 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.280 318 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.280 318 G C 0.528 175.354 174.900 -0.123 0.000 1.047 318 G CA 0.466 45.512 45.100 -0.090 0.000 0.869 318 G HN 0.922 nan 8.290 nan 0.000 0.502 319 R N -1.739 118.668 120.500 -0.155 0.000 3.946 319 R HA -0.225 4.115 4.340 -0.000 0.000 0.329 319 R C 0.249 176.481 176.300 -0.113 0.000 1.209 319 R CA 1.309 57.263 56.100 -0.244 0.000 0.909 319 R CB -1.462 28.516 30.300 -0.537 0.000 1.355 319 R HN 0.538 nan 8.270 nan 0.000 0.539 320 D N 1.127 121.496 120.400 -0.052 0.000 2.422 320 D HA 0.110 4.749 4.640 -0.000 0.000 0.227 320 D C 1.058 177.357 176.300 -0.001 0.000 1.190 320 D CA -0.183 53.805 54.000 -0.020 0.000 0.905 320 D CB 0.472 41.266 40.800 -0.010 0.000 1.034 320 D HN 0.241 nan 8.370 nan 0.000 0.507 321 L N 2.554 123.783 121.223 0.009 0.000 2.622 321 L HA 0.113 4.453 4.340 -0.000 0.000 0.233 321 L C 1.995 178.881 176.870 0.026 0.000 1.156 321 L CA 0.426 55.285 54.840 0.031 0.000 0.866 321 L CB 0.029 42.134 42.059 0.077 0.000 0.980 321 L HN 0.406 nan 8.230 nan 0.000 0.448 322 G N -0.191 108.619 108.800 0.017 0.000 3.088 322 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.217 322 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.217 322 G C 0.807 175.714 174.900 0.011 0.000 1.159 322 G CA -0.129 44.978 45.100 0.011 0.000 0.760 322 G HN 0.192 nan 8.290 nan 0.000 0.550 323 K N 1.132 121.541 120.400 0.015 0.000 3.029 323 K HA 0.384 4.704 4.320 -0.000 0.000 0.169 323 K C -0.779 175.836 176.600 0.024 0.000 1.090 323 K CA -0.348 55.950 56.287 0.019 0.000 0.883 323 K CB 1.010 33.523 32.500 0.021 0.000 1.080 323 K HN -0.070 nan 8.250 nan 0.000 0.613 324 V N 2.614 122.540 119.914 0.020 0.000 2.479 324 V HA 0.086 4.206 4.120 -0.000 0.000 0.281 324 V C 0.284 176.396 176.094 0.030 0.000 1.031 324 V CA -0.166 62.147 62.300 0.022 0.000 1.038 324 V CB 0.600 32.431 31.823 0.012 0.000 0.981 324 V HN 0.509 nan 8.190 nan 0.000 0.478 325 D N 3.016 123.440 120.400 0.040 0.000 2.340 325 D HA 0.297 4.937 4.640 -0.000 0.000 0.251 325 D C 0.111 176.451 176.300 0.066 0.000 1.080 325 D CA -0.464 53.572 54.000 0.061 0.000 0.971 325 D CB 0.716 41.571 40.800 0.091 0.000 1.137 325 D HN 0.436 nan 8.370 nan 0.000 0.475 326 N N -0.415 118.335 118.700 0.084 0.000 2.482 326 N HA 0.114 4.854 4.740 -0.000 0.000 0.260 326 N C -0.453 175.143 175.510 0.143 0.000 1.236 326 N CA -0.270 52.838 53.050 0.096 0.000 0.938 326 N CB 0.775 39.317 38.487 0.092 0.000 1.128 326 N HN 0.068 nan 8.380 nan 0.000 0.448 327 V N 1.310 121.318 119.914 0.157 0.000 2.508 327 V HA -0.008 4.112 4.120 -0.000 0.000 0.281 327 V C 0.499 176.762 176.094 0.281 0.000 1.041 327 V CA -0.164 62.279 62.300 0.240 0.000 1.016 327 V CB 0.706 32.689 31.823 0.266 0.000 0.984 327 V HN 0.541 nan 8.190 nan 0.000 0.478 328 D N 4.601 125.241 120.400 0.400 0.000 2.473 328 D HA 0.260 4.900 4.640 -0.000 0.000 0.226 328 D C 0.931 177.441 176.300 0.351 0.000 1.089 328 D CA -0.292 53.887 54.000 0.297 0.000 0.883 328 D CB 1.101 42.026 40.800 0.207 0.000 1.029 328 D HN 0.443 nan 8.370 nan 0.000 0.517 329 L N 2.460 123.877 121.223 0.322 0.000 2.261 329 L HA -0.030 4.310 4.340 -0.000 0.000 0.216 329 L C 2.204 179.364 176.870 0.483 0.000 1.114 329 L CA 1.158 56.252 54.840 0.422 0.000 0.777 329 L CB -0.032 42.236 42.059 0.348 0.000 0.910 329 L HN 0.437 nan 8.230 nan 0.000 0.440 330 G N -0.873 108.110 108.800 0.306 0.000 2.712 330 G HA2 0.065 4.025 3.960 -0.000 0.000 0.212 330 G HA3 0.065 4.025 3.960 -0.000 0.000 0.212 330 G C 1.406 176.433 174.900 0.212 0.000 1.142 330 G CA 0.580 45.797 45.100 0.195 0.000 0.789 330 G HN 0.426 nan 8.290 nan 0.000 0.535 331 A N -0.106 122.814 122.820 0.166 0.000 2.348 331 A HA 0.521 4.841 4.320 -0.000 0.000 0.224 331 A C 0.711 178.335 177.584 0.068 0.000 1.227 331 A CA -0.374 51.677 52.037 0.023 0.000 0.885 331 A CB 0.048 18.876 19.000 -0.285 0.000 0.933 331 A HN 0.274 nan 8.150 nan 0.000 0.506 332 I N 1.338 122.043 120.570 0.224 0.000 2.441 332 I HA 0.353 4.523 4.170 -0.000 0.000 0.287 332 I C -0.080 176.055 176.117 0.030 0.000 1.049 332 I CA -0.282 61.148 61.300 0.218 0.000 1.381 332 I CB 0.541 38.746 38.000 0.341 0.000 1.409 332 I HN 0.516 nan 8.210 nan 0.000 0.523 333 Y N 3.386 123.655 120.300 -0.052 0.000 2.677 333 Y HA 0.736 5.286 4.550 -0.000 0.000 0.334 333 Y C -1.174 174.605 175.900 -0.202 0.000 1.154 333 Y CA -1.317 56.684 58.100 -0.164 0.000 1.070 333 Y CB 1.116 39.529 38.460 -0.078 0.000 1.294 333 Y HN 0.386 nan 8.280 nan 0.000 0.475 334 E N 0.984 121.186 120.200 0.004 0.000 2.248 334 E HA 0.318 4.668 4.350 -0.000 0.000 0.267 334 E C -1.687 174.949 176.600 0.060 0.000 0.877 334 E CA -1.035 55.304 56.400 -0.101 0.000 0.759 334 E CB 2.120 31.710 29.700 -0.184 0.000 1.182 334 E HN 0.528 nan 8.360 nan 0.000 0.418 335 D N 1.096 121.523 120.400 0.043 0.000 2.217 335 D HA 0.238 4.878 4.640 -0.000 0.000 0.248 335 D C 0.458 176.774 176.300 0.026 0.000 1.008 335 D CA -0.365 53.681 54.000 0.076 0.000 0.914 335 D CB 2.168 43.042 40.800 0.123 0.000 1.182 335 D HN 0.269 nan 8.370 nan 0.000 0.451 336 V N -1.017 118.919 119.914 0.036 0.000 3.330 336 V HA 0.188 4.308 4.120 -0.000 0.000 0.309 336 V C 1.635 177.755 176.094 0.044 0.000 1.481 336 V CA -0.243 62.098 62.300 0.069 0.000 1.068 336 V CB 0.211 32.095 31.823 0.101 0.000 0.935 336 V HN 0.389 nan 8.190 nan 0.000 0.453 337 K N 1.049 121.442 120.400 -0.012 0.000 2.113 337 K HA -0.129 4.191 4.320 -0.000 0.000 0.208 337 K C 1.238 177.557 176.600 -0.469 0.000 1.047 337 K CA 2.374 58.551 56.287 -0.184 0.000 0.928 337 K CB -0.308 32.072 32.500 -0.200 0.000 0.716 337 K HN 0.625 nan 8.250 nan 0.000 0.446 338 Y N 0.372 120.547 120.300 -0.209 0.000 2.607 338 Y HA 0.307 4.857 4.550 -0.000 0.000 0.266 338 Y C -0.143 175.441 175.900 -0.527 0.000 1.178 338 Y CA -0.683 57.192 58.100 -0.374 0.000 1.226 338 Y CB 0.785 39.072 38.460 -0.288 0.000 1.144 338 Y HN -0.082 nan 8.280 nan 0.000 0.528 339 S N -1.327 114.255 115.700 -0.196 0.000 2.704 339 S HA 0.234 4.704 4.470 -0.000 0.000 0.305 339 S C -0.550 173.878 174.600 -0.286 0.000 1.107 339 S CA -0.819 57.205 58.200 -0.293 0.000 0.993 339 S CB 0.938 64.189 63.200 0.085 0.000 1.110 339 S HN 0.274 nan 8.310 nan 0.000 0.534 340 W N 2.457 123.430 121.300 -0.545 0.000 1.564 340 W HA 0.324 4.984 4.660 -0.000 0.000 0.448 340 W C -0.994 174.986 176.519 -0.898 0.000 0.601 340 W CA -0.531 56.298 57.345 -0.861 0.000 2.326 340 W CB -1.408 27.123 29.460 -1.548 0.000 1.355 340 W HN 0.546 nan 8.180 nan 0.000 0.382 341 Y N 0.134 120.419 120.300 -0.026 0.000 2.630 341 Y HA 0.609 5.159 4.550 -0.000 0.000 0.337 341 Y C 0.600 176.478 175.900 -0.037 0.000 1.051 341 Y CA -1.782 56.316 58.100 -0.004 0.000 1.121 341 Y CB 0.270 38.745 38.460 0.025 0.000 1.299 341 Y HN -0.044 nan 8.280 nan 0.000 0.498 342 A N 2.713 125.624 122.820 0.151 0.000 2.445 342 A HA 0.373 4.693 4.320 -0.000 0.000 0.242 342 A C -2.268 175.351 177.584 0.059 0.000 1.075 342 A CA -1.139 50.933 52.037 0.059 0.000 0.777 342 A CB -0.776 18.258 19.000 0.057 0.000 1.013 342 A HN 0.467 nan 8.150 nan 0.000 0.493 343 P HA 0.236 nan 4.420 nan 0.000 0.270 343 P C 0.757 178.068 177.300 0.018 0.000 1.223 343 P CA 1.194 64.310 63.100 0.028 0.000 0.785 343 P CB 0.528 32.236 31.700 0.014 0.000 0.923 344 G N 0.686 109.491 108.800 0.009 0.000 2.143 344 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.248 344 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.248 344 G C 0.803 175.702 174.900 -0.000 0.000 0.991 344 G CA 0.121 45.220 45.100 -0.000 0.000 0.689 344 G HN 0.885 nan 8.290 nan 0.000 0.522 345 G N -0.683 108.122 108.800 0.008 0.000 3.337 345 G HA2 0.383 4.343 3.960 -0.000 0.000 0.246 345 G HA3 0.383 4.343 3.960 -0.000 0.000 0.246 345 G C 0.172 175.065 174.900 -0.011 0.000 1.131 345 G CA 0.328 45.427 45.100 -0.002 0.000 0.773 345 G HN 0.454 nan 8.290 nan 0.000 0.544 346 D N 0.329 120.723 120.400 -0.010 0.000 2.362 346 D HA 0.389 5.028 4.640 -0.000 0.000 0.242 346 D C 1.311 177.586 176.300 -0.042 0.000 1.132 346 D CA 1.115 55.110 54.000 -0.008 0.000 0.907 346 D CB 1.378 42.171 40.800 -0.011 0.000 1.195 346 D HN 0.227 nan 8.370 nan 0.000 0.429 347 G N 1.219 109.996 108.800 -0.038 0.000 2.160 347 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.244 347 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.244 347 G C -0.014 174.813 174.900 -0.122 0.000 1.022 347 G CA -0.061 44.899 45.100 -0.234 0.000 0.741 347 G HN 0.336 nan 8.290 nan 0.000 0.508 348 K N 0.974 121.373 120.400 -0.000 0.000 2.262 348 K HA 0.244 4.564 4.320 -0.000 0.000 0.282 348 K C 0.468 177.068 176.600 0.001 0.000 1.066 348 K CA -0.761 55.522 56.287 -0.007 0.000 0.901 348 K CB 0.827 33.305 32.500 -0.036 0.000 1.089 348 K HN 0.490 nan 8.250 nan 0.000 0.476 349 H N 4.491 123.519 119.070 -0.069 0.000 2.972 349 H HA -0.015 4.541 4.556 -0.000 0.000 0.343 349 H C -1.583 173.550 175.328 -0.325 0.000 1.054 349 H CA -0.820 55.122 56.048 -0.177 0.000 1.412 349 H CB 1.114 30.794 29.762 -0.138 0.000 1.385 349 H HN 0.225 nan 8.280 nan 0.000 0.600 350 P HA -0.179 nan 4.420 nan 0.000 0.217 350 P C 0.863 177.916 177.300 -0.413 0.000 1.148 350 P CA 1.291 63.822 63.100 -0.948 0.000 0.828 350 P CB -0.075 30.336 31.700 -2.149 0.000 0.783 351 Y N -0.026 120.187 120.300 -0.145 0.000 2.352 351 Y HA -0.098 4.451 4.550 -0.000 0.000 0.292 351 Y C 1.439 177.352 175.900 0.021 0.000 1.136 351 Y CA 0.761 58.897 58.100 0.060 0.000 1.227 351 Y CB -0.875 37.684 38.460 0.165 0.000 0.991 351 Y HN 0.061 nan 8.280 nan 0.000 0.545 352 D N -0.708 119.782 120.400 0.150 0.000 2.424 352 D HA 0.146 4.786 4.640 -0.000 0.000 0.220 352 D C 0.993 177.303 176.300 0.017 0.000 1.150 352 D CA 0.135 54.178 54.000 0.072 0.000 0.831 352 D CB -0.042 40.792 40.800 0.057 0.000 0.981 352 D HN 0.150 nan 8.370 nan 0.000 0.500 353 G N 0.462 109.252 108.800 -0.016 0.000 2.491 353 G HA2 0.326 4.286 3.960 -0.000 0.000 0.238 353 G HA3 0.326 4.286 3.960 -0.000 0.000 0.238 353 G C -0.052 174.838 174.900 -0.017 0.000 1.277 353 G CA 0.038 45.106 45.100 -0.052 0.000 0.851 353 G HN 0.036 nan 8.290 nan 0.000 0.573 354 V N 0.734 120.625 119.914 -0.039 0.000 2.760 354 V HA 0.570 4.690 4.120 -0.000 0.000 0.309 354 V C -0.217 175.842 176.094 -0.058 0.000 1.077 354 V CA -0.654 61.635 62.300 -0.020 0.000 0.910 354 V CB 2.598 34.413 31.823 -0.012 0.000 1.008 354 V HN 0.831 nan 8.190 nan 0.000 0.424 355 T N 2.530 117.086 114.554 0.003 0.000 3.068 355 T HA 0.289 4.639 4.350 -0.000 0.000 0.364 355 T C -0.964 173.826 174.700 0.150 0.000 1.161 355 T CA -0.269 61.840 62.100 0.016 0.000 1.155 355 T CB 0.366 69.307 68.868 0.122 0.000 1.060 355 T HN 0.649 nan 8.240 nan 0.000 0.513 356 D N 4.585 125.103 120.400 0.197 0.000 2.434 356 D HA 0.282 4.922 4.640 -0.000 0.000 0.275 356 D C -2.323 174.143 176.300 0.277 0.000 1.172 356 D CA -2.122 51.999 54.000 0.203 0.000 0.916 356 D CB 1.239 42.113 40.800 0.124 0.000 1.041 356 D HN 0.165 nan 8.370 nan 0.000 0.501 357 P HA 0.101 nan 4.420 nan 0.000 0.265 357 P C -0.493 176.830 177.300 0.038 0.000 1.193 357 P CA -0.055 63.059 63.100 0.023 0.000 0.765 357 P CB 0.706 32.234 31.700 -0.287 0.000 0.823 358 K N 3.402 123.784 120.400 -0.030 0.000 2.695 358 K HA 0.208 4.528 4.320 -0.000 0.000 0.255 358 K C -1.656 174.857 176.600 -0.144 0.000 1.016 358 K CA -0.669 55.590 56.287 -0.048 0.000 0.928 358 K CB 0.900 33.361 32.500 -0.066 0.000 1.235 358 K HN 0.350 nan 8.250 nan 0.000 0.467 359 Y N 2.620 122.753 120.300 -0.278 0.000 2.301 359 Y HA 0.137 4.687 4.550 -0.000 0.000 0.328 359 Y C 1.191 176.861 175.900 -0.384 0.000 1.242 359 Y CA 0.964 58.702 58.100 -0.604 0.000 1.323 359 Y CB 1.392 39.559 38.460 -0.489 0.000 1.266 359 Y HN 0.774 nan 8.280 nan 0.000 0.527 360 T N 0.393 114.344 114.554 -1.004 0.000 3.478 360 T HA 0.331 4.681 4.350 -0.000 0.000 0.223 360 T C -0.580 173.772 174.700 -0.579 0.000 0.958 360 T CA 0.216 62.021 62.100 -0.492 0.000 1.324 360 T CB 0.200 68.954 68.868 -0.191 0.000 1.262 360 T HN 0.647 nan 8.240 nan 0.000 0.379 361 K N -0.114 119.896 120.400 -0.649 0.000 2.642 361 K HA 0.593 4.912 4.320 -0.000 0.000 0.290 361 K C -1.904 174.629 176.600 -0.111 0.000 1.006 361 K CA -1.069 55.045 56.287 -0.288 0.000 0.869 361 K CB 1.085 33.540 32.500 -0.074 0.000 1.499 361 K HN 0.208 nan 8.250 nan 0.000 0.403 362 L N 2.532 123.793 121.223 0.064 0.000 2.462 362 L HA 0.182 4.522 4.340 -0.000 0.000 0.272 362 L C -0.563 176.388 176.870 0.134 0.000 1.166 362 L CA 1.390 56.342 54.840 0.185 0.000 0.880 362 L CB -0.399 41.756 42.059 0.161 0.000 1.142 362 L HN 0.790 nan 8.230 nan 0.000 0.473 363 D N 1.375 121.878 120.400 0.171 0.000 3.017 363 D HA -0.204 4.436 4.640 -0.000 0.000 0.220 363 D C -0.288 175.980 176.300 -0.054 0.000 1.141 363 D CA 1.075 55.076 54.000 0.001 0.000 0.848 363 D CB -1.341 39.424 40.800 -0.059 0.000 1.102 363 D HN 0.740 nan 8.370 nan 0.000 0.427 364 D N 0.644 121.072 120.400 0.047 0.000 2.346 364 D HA 0.039 4.679 4.640 -0.000 0.000 0.260 364 D C 1.263 177.573 176.300 0.016 0.000 1.252 364 D CA -0.059 53.960 54.000 0.032 0.000 0.895 364 D CB 0.763 41.627 40.800 0.108 0.000 1.097 364 D HN -0.134 nan 8.370 nan 0.000 0.489 365 K N 2.841 123.203 120.400 -0.064 0.000 2.362 365 K HA -0.074 4.246 4.320 -0.000 0.000 0.200 365 K C 0.533 177.267 176.600 0.222 0.000 1.046 365 K CA 0.613 56.867 56.287 -0.055 0.000 0.952 365 K CB 0.275 32.694 32.500 -0.134 0.000 0.753 365 K HN 0.552 nan 8.250 nan 0.000 0.466 366 D N -0.335 120.114 120.400 0.082 0.000 2.333 366 D HA -0.025 4.615 4.640 -0.000 0.000 0.208 366 D C 0.084 176.070 176.300 -0.524 0.000 0.984 366 D CA 0.686 54.593 54.000 -0.155 0.000 0.873 366 D CB 0.323 40.980 40.800 -0.238 0.000 0.935 366 D HN 0.241 nan 8.370 nan 0.000 0.521 367 H N -0.288 118.740 119.070 -0.069 0.000 3.277 367 H HA 0.084 4.640 4.556 -0.000 0.000 0.329 367 H C -0.786 174.097 175.328 -0.742 0.000 1.034 367 H CA -0.377 55.409 56.048 -0.438 0.000 1.530 367 H CB 0.466 30.005 29.762 -0.372 0.000 1.837 367 H HN 0.086 nan 8.280 nan 0.000 0.493 368 Y N 0.819 120.557 120.300 -0.936 0.000 2.767 368 Y HA 0.519 5.069 4.550 -0.000 0.000 0.254 368 Y C -0.199 174.949 175.900 -1.254 0.000 1.133 368 Y CA -0.602 56.914 58.100 -0.973 0.000 1.225 368 Y CB 0.774 39.043 38.460 -0.319 0.000 1.312 368 Y HN 0.310 nan 8.280 nan 0.000 0.560 369 S N -0.802 113.837 115.700 -1.769 0.000 2.537 369 S HA 0.263 4.733 4.470 -0.000 0.000 0.271 369 S C -1.027 173.276 174.600 -0.495 0.000 1.148 369 S CA -0.680 56.974 58.200 -0.910 0.000 0.868 369 S CB 0.242 63.189 63.200 -0.422 0.000 1.115 369 S HN 0.402 nan 8.310 nan 0.000 0.461 370 W N 2.553 123.975 121.300 0.203 0.000 2.905 370 W HA 0.299 4.959 4.660 -0.000 0.000 0.251 370 W C 1.109 177.802 176.519 0.289 0.000 1.305 370 W CA -0.383 57.127 57.345 0.276 0.000 1.465 370 W CB 0.186 29.893 29.460 0.412 0.000 1.122 370 W HN 0.322 nan 8.180 nan 0.000 0.659 371 M N 1.449 121.263 119.600 0.357 0.000 2.243 371 M HA 0.086 4.566 4.480 -0.000 0.000 0.341 371 M C 0.590 177.017 176.300 0.212 0.000 1.130 371 M CA 0.606 56.054 55.300 0.245 0.000 1.162 371 M CB 0.734 33.414 32.600 0.133 0.000 1.497 371 M HN -0.197 nan 8.290 nan 0.000 0.456 372 K N 1.155 121.645 120.400 0.149 0.000 2.127 372 K HA 0.584 4.904 4.320 -0.000 0.000 0.240 372 K C -0.443 176.129 176.600 -0.047 0.000 1.024 372 K CA -0.622 55.688 56.287 0.038 0.000 0.918 372 K CB 0.775 33.224 32.500 -0.085 0.000 1.108 372 K HN 0.722 nan 8.250 nan 0.000 0.485 373 A N 2.514 125.288 122.820 -0.076 0.000 2.394 373 A HA 0.387 4.707 4.320 -0.000 0.000 0.333 373 A C -2.498 174.953 177.584 -0.222 0.000 1.397 373 A CA -1.732 50.236 52.037 -0.114 0.000 0.884 373 A CB 0.210 19.181 19.000 -0.048 0.000 1.147 373 A HN 0.288 nan 8.150 nan 0.000 0.505 374 P HA 0.541 nan 4.420 nan 0.000 0.279 374 P C -0.512 176.418 177.300 -0.618 0.000 1.239 374 P CA -0.277 62.358 63.100 -0.775 0.000 0.789 374 P CB 0.976 31.743 31.700 -1.555 0.000 0.933 375 R N 1.808 121.968 120.500 -0.568 0.000 2.799 375 R HA 0.471 4.811 4.340 -0.000 0.000 0.270 375 R C -1.596 174.616 176.300 -0.146 0.000 1.010 375 R CA -0.845 55.101 56.100 -0.257 0.000 0.916 375 R CB 1.400 31.434 30.300 -0.444 0.000 1.228 375 R HN 0.495 nan 8.270 nan 0.000 0.469 376 Y N 1.423 121.718 120.300 -0.008 0.000 2.402 376 Y HA 0.214 4.764 4.550 -0.000 0.000 0.325 376 Y C -0.270 175.688 175.900 0.098 0.000 1.009 376 Y CA -0.406 57.751 58.100 0.096 0.000 1.278 376 Y CB 0.695 39.243 38.460 0.147 0.000 1.105 376 Y HN 0.672 nan 8.280 nan 0.000 0.476 377 K N 4.225 124.573 120.400 -0.087 0.000 3.035 377 K HA -0.249 4.070 4.320 -0.000 0.000 0.262 377 K C 0.956 177.649 176.600 0.154 0.000 1.024 377 K CA 1.025 57.339 56.287 0.045 0.000 0.748 377 K CB -1.571 30.901 32.500 -0.046 0.000 1.247 377 K HN 1.276 nan 8.250 nan 0.000 0.482 378 G N -0.447 108.496 108.800 0.238 0.000 2.176 378 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.253 378 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.253 378 G C -0.080 174.897 174.900 0.130 0.000 0.979 378 G CA 0.793 46.022 45.100 0.215 0.000 0.641 378 G HN 0.337 nan 8.290 nan 0.000 0.530 379 K N 0.491 120.969 120.400 0.130 0.000 2.203 379 K HA 0.746 5.066 4.320 -0.000 0.000 0.251 379 K C 0.447 177.129 176.600 0.138 0.000 0.944 379 K CA -0.180 56.175 56.287 0.113 0.000 0.829 379 K CB 2.011 34.578 32.500 0.111 0.000 1.125 379 K HN 0.470 nan 8.250 nan 0.000 0.430 380 A N 3.157 126.032 122.820 0.092 0.000 2.407 380 A HA 0.420 4.740 4.320 -0.000 0.000 0.248 380 A C -0.361 177.277 177.584 0.090 0.000 1.082 380 A CA 0.039 52.146 52.037 0.117 0.000 0.785 380 A CB 0.216 19.244 19.000 0.046 0.000 1.020 380 A HN 0.542 nan 8.150 nan 0.000 0.489 381 M N 1.705 121.392 119.600 0.145 0.000 2.263 381 M HA 0.296 4.776 4.480 -0.000 0.000 0.295 381 M C -0.382 175.898 176.300 -0.034 0.000 1.028 381 M CA -0.254 55.007 55.300 -0.065 0.000 0.921 381 M CB 1.629 34.022 32.600 -0.347 0.000 1.601 381 M HN 0.960 nan 8.290 nan 0.000 0.440 382 E N 2.951 123.097 120.200 -0.091 0.000 2.283 382 E HA 0.566 4.916 4.350 -0.000 0.000 0.278 382 E C -1.062 175.571 176.600 0.055 0.000 1.027 382 E CA -0.611 55.833 56.400 0.074 0.000 0.843 382 E CB 1.251 31.022 29.700 0.119 0.000 1.062 382 E HN 0.543 nan 8.360 nan 0.000 0.401 383 V N 0.884 120.857 119.914 0.099 0.000 3.126 383 V HA 0.998 5.118 4.120 -0.000 0.000 0.314 383 V C 0.346 176.503 176.094 0.105 0.000 1.138 383 V CA 0.114 62.410 62.300 -0.007 0.000 1.034 383 V CB 0.994 32.706 31.823 -0.185 0.000 1.075 383 V HN 1.052 nan 8.190 nan 0.000 0.442 384 G N 1.501 110.337 108.800 0.060 0.000 2.373 384 G HA2 0.048 4.008 3.960 -0.000 0.000 0.634 384 G HA3 0.048 4.008 3.960 -0.000 0.000 0.634 384 G C -2.516 172.433 174.900 0.083 0.000 1.267 384 G CA -0.051 45.100 45.100 0.086 0.000 1.008 384 G HN 0.667 nan 8.290 nan 0.000 0.497 385 P HA -0.057 nan 4.420 nan 0.000 0.216 385 P C 2.194 179.486 177.300 -0.014 0.000 1.150 385 P CA 1.463 64.607 63.100 0.073 0.000 0.843 385 P CB 0.105 31.800 31.700 -0.009 0.000 0.787 386 L N -0.675 120.519 121.223 -0.048 0.000 2.109 386 L HA -0.000 4.340 4.340 -0.000 0.000 0.207 386 L C 2.205 178.983 176.870 -0.153 0.000 1.086 386 L CA 1.803 56.550 54.840 -0.155 0.000 0.760 386 L CB -1.589 40.444 42.059 -0.042 0.000 0.910 386 L HN -0.128 nan 8.230 nan 0.000 0.437 387 A N -0.244 122.604 122.820 0.045 0.000 1.858 387 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 387 A C 2.413 179.959 177.584 -0.064 0.000 1.190 387 A CA 1.779 53.858 52.037 0.071 0.000 0.617 387 A CB -0.566 18.534 19.000 0.167 0.000 0.827 387 A HN 0.463 nan 8.150 nan 0.000 0.443 388 R N -1.015 119.451 120.500 -0.057 0.000 2.091 388 R HA -0.115 4.225 4.340 -0.000 0.000 0.238 388 R C 2.294 178.371 176.300 -0.372 0.000 1.136 388 R CA 1.880 57.898 56.100 -0.138 0.000 0.959 388 R CB -0.787 29.522 30.300 0.015 0.000 0.856 388 R HN 0.549 nan 8.270 nan 0.000 0.437 389 T N 0.555 114.926 114.554 -0.305 0.000 2.737 389 T HA -0.092 4.258 4.350 -0.000 0.000 0.265 389 T C 1.546 176.037 174.700 -0.348 0.000 1.038 389 T CA 1.262 63.145 62.100 -0.362 0.000 1.144 389 T CB -0.275 68.436 68.868 -0.262 0.000 0.866 389 T HN 0.158 nan 8.240 nan 0.000 0.434 390 F N 0.663 120.431 119.950 -0.302 0.000 2.134 390 F HA -0.033 4.494 4.527 -0.000 0.000 0.299 390 F C 2.206 177.896 175.800 -0.182 0.000 1.097 390 F CA 0.715 58.552 58.000 -0.271 0.000 1.264 390 F CB -0.319 38.382 39.000 -0.498 0.000 1.001 390 F HN 0.106 nan 8.300 nan 0.000 0.479 391 I N -0.272 120.274 120.570 -0.040 0.000 2.142 391 I HA -0.327 3.843 4.170 -0.000 0.000 0.240 391 I C 2.687 178.726 176.117 -0.130 0.000 1.078 391 I CA 1.223 62.483 61.300 -0.067 0.000 1.343 391 I CB -0.706 37.244 38.000 -0.083 0.000 1.046 391 I HN 0.094 nan 8.210 nan 0.000 0.405 392 A N 0.079 122.705 122.820 -0.323 0.000 1.865 392 A HA -0.318 4.001 4.320 -0.000 0.000 0.217 392 A C 2.313 179.797 177.584 -0.166 0.000 1.191 392 A CA 1.860 53.649 52.037 -0.414 0.000 0.623 392 A CB -1.285 17.018 19.000 -1.162 0.000 0.826 392 A HN 0.507 nan 8.150 nan 0.000 0.444 393 Y N 0.586 120.756 120.300 -0.217 0.000 2.151 393 Y HA -0.210 4.340 4.550 -0.000 0.000 0.284 393 Y C 2.710 178.595 175.900 -0.026 0.000 1.166 393 Y CA 1.471 59.536 58.100 -0.059 0.000 1.163 393 Y CB -0.551 37.892 38.460 -0.029 0.000 0.974 393 Y HN 0.319 nan 8.280 nan 0.000 0.511 394 A N -0.280 122.567 122.820 0.046 0.000 1.972 394 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 394 A C 2.094 179.637 177.584 -0.068 0.000 1.169 394 A CA 1.711 53.740 52.037 -0.012 0.000 0.635 394 A CB -0.457 18.568 19.000 0.041 0.000 0.810 394 A HN 0.499 nan 8.150 nan 0.000 0.446 395 K N -1.436 118.923 120.400 -0.068 0.000 2.444 395 K HA 0.202 4.522 4.320 -0.000 0.000 0.193 395 K C 0.965 177.521 176.600 -0.073 0.000 1.024 395 K CA 0.442 56.694 56.287 -0.059 0.000 1.077 395 K CB -0.026 32.446 32.500 -0.046 0.000 0.833 395 K HN 0.624 nan 8.250 nan 0.000 0.517 396 G N 2.004 110.730 108.800 -0.123 0.000 2.160 396 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.251 396 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.251 396 G C -0.073 174.797 174.900 -0.051 0.000 1.008 396 G CA -0.079 44.944 45.100 -0.128 0.000 0.724 396 G HN 0.325 nan 8.290 nan 0.000 0.514 397 Q N -0.013 119.779 119.800 -0.013 0.000 2.320 397 Q HA 0.033 4.373 4.340 -0.000 0.000 0.311 397 Q C -0.674 175.380 176.000 0.090 0.000 1.083 397 Q CA -0.233 55.610 55.803 0.066 0.000 1.001 397 Q CB 0.800 29.607 28.738 0.115 0.000 1.074 397 Q HN 0.277 nan 8.270 nan 0.000 0.379 398 P HA -0.155 nan 4.420 nan 0.000 0.215 398 P C 0.462 177.783 177.300 0.034 0.000 1.157 398 P CA 1.137 64.256 63.100 0.031 0.000 0.868 398 P CB 0.311 32.021 31.700 0.017 0.000 0.788 399 D N -1.619 118.803 120.400 0.036 0.000 2.117 399 D HA -0.108 4.532 4.640 -0.000 0.000 0.197 399 D C 1.842 178.085 176.300 -0.095 0.000 0.987 399 D CA 1.061 55.027 54.000 -0.056 0.000 0.829 399 D CB -0.838 39.900 40.800 -0.105 0.000 0.961 399 D HN 0.131 nan 8.370 nan 0.000 0.460 400 F N 1.041 120.952 119.950 -0.065 0.000 2.102 400 F HA -0.138 4.389 4.527 -0.000 0.000 0.298 400 F C 2.394 178.240 175.800 0.076 0.000 1.105 400 F CA 1.080 59.051 58.000 -0.049 0.000 1.239 400 F CB -0.164 38.795 39.000 -0.068 0.000 0.991 400 F HN -0.150 nan 8.300 nan 0.000 0.474 401 K N 0.920 121.477 120.400 0.261 0.000 2.032 401 K HA -0.238 4.082 4.320 -0.000 0.000 0.209 401 K C 2.129 178.837 176.600 0.181 0.000 1.048 401 K CA 1.690 58.119 56.287 0.237 0.000 0.927 401 K CB -0.247 32.243 32.500 -0.016 0.000 0.712 401 K HN 0.075 nan 8.250 nan 0.000 0.441 402 K N -0.166 120.269 120.400 0.059 0.000 2.026 402 K HA -0.108 4.212 4.320 -0.000 0.000 0.208 402 K C 1.841 178.420 176.600 -0.035 0.000 1.048 402 K CA 1.639 57.927 56.287 0.001 0.000 0.929 402 K CB -0.040 32.438 32.500 -0.037 0.000 0.713 402 K HN 0.056 nan 8.250 nan 0.000 0.439 403 V N 0.691 120.556 119.914 -0.082 0.000 2.453 403 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 403 V C 2.275 178.286 176.094 -0.138 0.000 1.048 403 V CA 1.251 63.462 62.300 -0.147 0.000 1.049 403 V CB 0.071 31.747 31.823 -0.245 0.000 0.672 403 V HN 0.159 nan 8.190 nan 0.000 0.457 404 V N 0.109 119.964 119.914 -0.099 0.000 2.427 404 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 404 V C 2.257 178.259 176.094 -0.155 0.000 1.051 404 V CA 2.029 64.215 62.300 -0.190 0.000 1.048 404 V CB -0.611 31.011 31.823 -0.335 0.000 0.666 404 V HN 0.546 nan 8.190 nan 0.000 0.456 405 D N -0.461 119.924 120.400 -0.025 0.000 2.097 405 D HA -0.174 4.466 4.640 -0.000 0.000 0.195 405 D C 2.113 178.380 176.300 -0.054 0.000 0.989 405 D CA 1.168 55.165 54.000 -0.005 0.000 0.827 405 D CB -0.377 40.460 40.800 0.061 0.000 0.966 405 D HN 0.244 nan 8.370 nan 0.000 0.456 406 M N 0.880 120.439 119.600 -0.069 0.000 2.143 406 M HA -0.167 4.313 4.480 -0.000 0.000 0.258 406 M C 1.780 178.014 176.300 -0.110 0.000 1.071 406 M CA 1.272 56.519 55.300 -0.089 0.000 1.088 406 M CB -0.289 32.249 32.600 -0.104 0.000 1.360 406 M HN -0.114 nan 8.290 nan 0.000 0.404 407 V N 0.583 120.415 119.914 -0.137 0.000 2.407 407 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 407 V C 2.563 178.576 176.094 -0.136 0.000 1.041 407 V CA 1.156 63.362 62.300 -0.157 0.000 1.040 407 V CB -0.545 31.158 31.823 -0.200 0.000 0.671 407 V HN 0.476 nan 8.190 nan 0.000 0.455 408 L N 0.337 121.479 121.223 -0.135 0.000 2.191 408 L HA -0.072 4.268 4.340 -0.000 0.000 0.212 408 L C 2.509 179.334 176.870 -0.076 0.000 1.103 408 L CA 1.580 56.355 54.840 -0.108 0.000 0.769 408 L CB -1.110 40.885 42.059 -0.107 0.000 0.908 408 L HN 0.486 nan 8.230 nan 0.000 0.438 409 G N -0.323 108.435 108.800 -0.071 0.000 2.454 409 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.214 409 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.214 409 G C 1.646 176.507 174.900 -0.065 0.000 1.217 409 G CA 0.137 45.202 45.100 -0.058 0.000 0.799 409 G HN 0.032 nan 8.290 nan 0.000 0.538 410 K N 0.256 120.609 120.400 -0.078 0.000 2.107 410 K HA -0.046 4.274 4.320 -0.000 0.000 0.211 410 K C 2.356 178.905 176.600 -0.085 0.000 1.049 410 K CA 1.141 57.378 56.287 -0.083 0.000 0.927 410 K CB -0.500 31.942 32.500 -0.098 0.000 0.714 410 K HN 0.375 nan 8.250 nan 0.000 0.452 411 L N 0.579 121.750 121.223 -0.087 0.000 2.592 411 L HA 0.057 4.397 4.340 -0.000 0.000 0.227 411 L C 0.237 177.068 176.870 -0.064 0.000 1.127 411 L CA -0.085 54.706 54.840 -0.081 0.000 0.884 411 L CB 0.010 42.020 42.059 -0.083 0.000 1.065 411 L HN -0.047 nan 8.230 nan 0.000 0.457 412 S N 0.564 116.229 115.700 -0.058 0.000 3.447 412 S HA -0.120 4.350 4.470 -0.000 0.000 0.371 412 S C -0.021 174.558 174.600 -0.035 0.000 0.951 412 S CA 0.708 58.882 58.200 -0.043 0.000 1.269 412 S CB -1.805 61.370 63.200 -0.041 0.000 0.919 412 S HN 0.406 nan 8.310 nan 0.000 0.516 413 V N -2.378 117.513 119.914 -0.038 0.000 3.102 413 V HA 0.974 5.094 4.120 -0.000 0.000 0.312 413 V C -2.359 173.718 176.094 -0.028 0.000 1.135 413 V CA -2.474 59.810 62.300 -0.026 0.000 1.022 413 V CB 2.078 33.886 31.823 -0.024 0.000 1.056 413 V HN 0.105 nan 8.190 nan 0.000 0.436 414 P HA 0.419 nan 4.420 nan 0.000 0.279 414 P C 0.564 177.849 177.300 -0.025 0.000 1.276 414 P CA 0.082 63.178 63.100 -0.006 0.000 0.801 414 P CB 1.488 33.198 31.700 0.017 0.000 1.127 415 A N 0.328 123.136 122.820 -0.019 0.000 2.015 415 A HA -0.111 4.208 4.320 -0.000 0.000 0.219 415 A C 1.961 179.542 177.584 -0.006 0.000 1.163 415 A CA 2.142 54.148 52.037 -0.052 0.000 0.646 415 A CB -1.979 17.010 19.000 -0.017 0.000 0.806 415 A HN 0.693 nan 8.150 nan 0.000 0.448 416 T N -2.484 112.094 114.554 0.041 0.000 3.007 416 T HA 0.118 4.468 4.350 -0.000 0.000 0.270 416 T C 1.706 176.464 174.700 0.097 0.000 1.107 416 T CA 1.285 63.446 62.100 0.102 0.000 1.118 416 T CB -0.410 68.545 68.868 0.145 0.000 0.889 416 T HN 0.522 nan 8.240 nan 0.000 0.506 417 A N 1.244 124.090 122.820 0.044 0.000 2.121 417 A HA 0.262 4.582 4.320 -0.000 0.000 0.218 417 A C 2.320 179.928 177.584 0.041 0.000 1.154 417 A CA 0.712 52.777 52.037 0.047 0.000 0.679 417 A CB -0.737 18.273 19.000 0.017 0.000 0.795 417 A HN 0.589 nan 8.150 nan 0.000 0.458 418 L N -0.549 120.668 121.223 -0.010 0.000 2.313 418 L HA -0.046 4.294 4.340 -0.000 0.000 0.214 418 L C 0.451 177.397 176.870 0.128 0.000 1.119 418 L CA 0.265 55.074 54.840 -0.051 0.000 0.809 418 L CB -0.565 41.318 42.059 -0.293 0.000 0.933 418 L HN 0.427 nan 8.230 nan 0.000 0.449 419 H N 1.372 120.671 119.070 0.382 0.000 3.460 419 H HA 0.207 4.763 4.556 -0.000 0.000 0.238 419 H C 0.248 175.699 175.328 0.206 0.000 1.752 419 H CA 0.288 56.533 56.048 0.328 0.000 1.503 419 H CB -0.357 29.515 29.762 0.183 0.000 1.830 419 H HN 0.257 nan 8.280 nan 0.000 0.614 420 S N -0.600 115.259 115.700 0.266 0.000 2.643 420 S HA 0.094 4.564 4.470 -0.000 0.000 0.266 420 S C 0.827 175.536 174.600 0.183 0.000 1.130 420 S CA -0.680 57.642 58.200 0.203 0.000 0.817 420 S CB 1.303 64.610 63.200 0.177 0.000 1.107 420 S HN 0.155 nan 8.310 nan 0.000 0.471 421 T N 0.981 115.688 114.554 0.254 0.000 2.821 421 T HA -0.034 4.316 4.350 -0.000 0.000 0.267 421 T C 1.730 176.595 174.700 0.276 0.000 1.046 421 T CA 1.709 63.994 62.100 0.309 0.000 1.139 421 T CB -0.578 68.643 68.868 0.589 0.000 0.871 421 T HN 0.528 nan 8.240 nan 0.000 0.454 422 L N 1.427 122.819 121.223 0.282 0.000 2.056 422 L HA 0.152 4.492 4.340 -0.000 0.000 0.207 422 L C 2.519 179.396 176.870 0.012 0.000 1.078 422 L CA 2.056 56.971 54.840 0.125 0.000 0.749 422 L CB -1.302 40.855 42.059 0.164 0.000 0.901 422 L HN 0.258 nan 8.230 nan 0.000 0.433 423 G N -0.742 108.073 108.800 0.024 0.000 2.446 423 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.217 423 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.217 423 G C 1.830 176.667 174.900 -0.106 0.000 1.168 423 G CA 0.844 45.901 45.100 -0.071 0.000 0.771 423 G HN 0.431 nan 8.290 nan 0.000 0.551 424 R N -0.323 120.155 120.500 -0.038 0.000 2.091 424 R HA -0.079 4.261 4.340 -0.000 0.000 0.238 424 R C 2.683 178.955 176.300 -0.047 0.000 1.136 424 R CA 1.952 58.011 56.100 -0.068 0.000 0.959 424 R CB -0.495 29.734 30.300 -0.119 0.000 0.856 424 R HN 0.336 nan 8.270 nan 0.000 0.437 425 T N 0.404 114.968 114.554 0.017 0.000 2.674 425 T HA -0.102 4.247 4.350 -0.000 0.000 0.265 425 T C 1.799 176.441 174.700 -0.096 0.000 1.039 425 T CA 1.381 63.506 62.100 0.042 0.000 1.150 425 T CB -0.354 68.519 68.868 0.008 0.000 0.864 425 T HN 0.466 nan 8.240 nan 0.000 0.427 426 A N 1.525 124.246 122.820 -0.165 0.000 1.908 426 A HA 0.061 4.381 4.320 -0.000 0.000 0.218 426 A C 2.640 180.075 177.584 -0.248 0.000 1.181 426 A CA 2.019 53.914 52.037 -0.237 0.000 0.627 426 A CB -1.165 17.697 19.000 -0.230 0.000 0.818 426 A HN 0.517 nan 8.150 nan 0.000 0.445 427 A N -0.333 122.353 122.820 -0.223 0.000 1.908 427 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 427 A C 2.224 179.710 177.584 -0.163 0.000 1.181 427 A CA 1.890 53.801 52.037 -0.211 0.000 0.627 427 A CB -0.538 18.322 19.000 -0.233 0.000 0.818 427 A HN 0.576 nan 8.150 nan 0.000 0.445 428 R N -0.651 119.741 120.500 -0.180 0.000 2.117 428 R HA -0.148 4.192 4.340 -0.000 0.000 0.243 428 R C 2.147 178.315 176.300 -0.220 0.000 1.143 428 R CA 1.768 57.695 56.100 -0.287 0.000 0.968 428 R CB -0.597 29.537 30.300 -0.276 0.000 0.863 428 R HN 0.481 nan 8.270 nan 0.000 0.444 429 G N 0.416 109.050 108.800 -0.276 0.000 2.396 429 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.214 429 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.214 429 G C 1.451 176.119 174.900 -0.386 0.000 1.166 429 G CA 0.526 45.295 45.100 -0.551 0.000 0.793 429 G HN 0.240 nan 8.290 nan 0.000 0.533 430 I N 1.637 122.023 120.570 -0.306 0.000 2.118 430 I HA -0.269 3.901 4.170 -0.000 0.000 0.241 430 I C 2.951 178.917 176.117 -0.250 0.000 1.070 430 I CA 2.028 63.158 61.300 -0.284 0.000 1.327 430 I CB -0.285 37.559 38.000 -0.260 0.000 1.034 430 I HN 0.474 nan 8.210 nan 0.000 0.405 431 E N 0.250 120.390 120.200 -0.099 0.000 2.268 431 E HA -0.164 4.186 4.350 -0.000 0.000 0.195 431 E C 1.836 178.581 176.600 0.241 0.000 0.995 431 E CA 1.560 57.985 56.400 0.042 0.000 0.836 431 E CB -0.412 29.527 29.700 0.398 0.000 0.763 431 E HN 0.387 nan 8.360 nan 0.000 0.491 432 T N 1.118 115.814 114.554 0.236 0.000 2.777 432 T HA -0.080 4.270 4.350 -0.000 0.000 0.266 432 T C 2.032 176.789 174.700 0.095 0.000 1.040 432 T CA 1.462 63.737 62.100 0.292 0.000 1.141 432 T CB -0.272 68.809 68.868 0.357 0.000 0.868 432 T HN 0.420 nan 8.240 nan 0.000 0.444 433 A N 1.027 123.809 122.820 -0.064 0.000 1.933 433 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 433 A C 2.267 179.777 177.584 -0.123 0.000 1.175 433 A CA 1.151 53.115 52.037 -0.122 0.000 0.628 433 A CB -0.722 18.155 19.000 -0.205 0.000 0.814 433 A HN 0.536 nan 8.150 nan 0.000 0.444 434 I N -0.735 119.749 120.570 -0.143 0.000 2.353 434 I HA -0.162 4.008 4.170 -0.000 0.000 0.248 434 I C 2.297 178.383 176.117 -0.051 0.000 1.119 434 I CA 0.765 61.967 61.300 -0.163 0.000 1.417 434 I CB -0.264 37.504 38.000 -0.387 0.000 1.078 434 I HN 0.139 nan 8.210 nan 0.000 0.421 435 V N 0.252 120.217 119.914 0.084 0.000 2.295 435 V HA -0.343 3.777 4.120 -0.000 0.000 0.246 435 V C 2.620 178.631 176.094 -0.139 0.000 1.049 435 V CA 1.849 64.131 62.300 -0.029 0.000 1.024 435 V CB -0.589 31.294 31.823 0.100 0.000 0.648 435 V HN 0.564 nan 8.190 nan 0.000 0.447 436 c N 0.201 118.765 118.600 -0.060 0.000 2.401 436 c HA -0.174 4.396 4.570 -0.000 0.000 0.276 436 c C 3.021 177.013 174.090 -0.164 0.000 1.233 436 c CA 1.041 57.321 56.329 -0.082 0.000 1.753 436 c CB -1.285 41.205 42.510 -0.034 0.000 2.029 436 c HN 0.642 nan 8.230 nan 0.000 0.478 437 A N 0.012 122.714 122.820 -0.198 0.000 2.119 437 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 437 A C 1.833 179.211 177.584 -0.344 0.000 1.153 437 A CA 1.319 53.220 52.037 -0.227 0.000 0.692 437 A CB -0.400 18.480 19.000 -0.200 0.000 0.799 437 A HN 0.736 nan 8.150 nan 0.000 0.458 438 N N -0.865 117.508 118.700 -0.544 0.000 2.325 438 N HA 0.031 4.771 4.740 -0.000 0.000 0.182 438 N C 1.304 176.282 175.510 -0.887 0.000 1.088 438 N CA 0.220 52.686 53.050 -0.974 0.000 0.879 438 N CB -0.024 37.369 38.487 -1.823 0.000 0.983 438 N HN 0.268 nan 8.380 nan 0.000 0.471 439 M N 1.317 120.656 119.600 -0.435 0.000 2.073 439 M HA -0.186 4.294 4.480 -0.000 0.000 0.258 439 M C 2.161 178.425 176.300 -0.060 0.000 1.070 439 M CA 1.541 56.771 55.300 -0.117 0.000 1.103 439 M CB -1.122 31.422 32.600 -0.093 0.000 1.321 439 M HN 0.203 nan 8.290 nan 0.000 0.405 440 E N 0.224 120.353 120.200 -0.118 0.000 2.072 440 E HA -0.221 4.129 4.350 -0.000 0.000 0.191 440 E C 2.095 178.669 176.600 -0.043 0.000 0.985 440 E CA 1.555 57.919 56.400 -0.060 0.000 0.801 440 E CB -0.043 29.613 29.700 -0.073 0.000 0.750 440 E HN 0.442 nan 8.360 nan 0.000 0.452 441 K N -0.223 120.098 120.400 -0.132 0.000 2.044 441 K HA -0.196 4.124 4.320 -0.000 0.000 0.210 441 K C 1.876 178.509 176.600 0.056 0.000 1.049 441 K CA 1.805 58.032 56.287 -0.100 0.000 0.927 441 K CB -0.252 32.106 32.500 -0.236 0.000 0.713 441 K HN 0.262 nan 8.250 nan 0.000 0.443 442 W N 1.058 122.338 121.300 -0.032 0.000 2.358 442 W HA -0.070 4.590 4.660 -0.000 0.000 0.303 442 W C 1.993 178.521 176.519 0.016 0.000 1.208 442 W CA 0.619 57.952 57.345 -0.020 0.000 1.274 442 W CB -0.680 28.748 29.460 -0.052 0.000 1.138 442 W HN 0.115 nan 8.180 nan 0.000 0.515 443 I N 0.068 120.800 120.570 0.271 0.000 2.252 443 I HA -0.284 3.885 4.170 -0.000 0.000 0.245 443 I C 2.534 178.730 176.117 0.132 0.000 1.102 443 I CA 1.389 62.814 61.300 0.208 0.000 1.385 443 I CB -0.601 37.530 38.000 0.218 0.000 1.064 443 I HN -0.140 nan 8.210 nan 0.000 0.414 444 K N 1.115 121.576 120.400 0.102 0.000 2.097 444 K HA -0.252 4.068 4.320 -0.000 0.000 0.206 444 K C 2.086 178.729 176.600 0.072 0.000 1.049 444 K CA 1.548 57.877 56.287 0.069 0.000 0.933 444 K CB -0.077 32.449 32.500 0.043 0.000 0.717 444 K HN 0.268 nan 8.250 nan 0.000 0.442 445 E N 0.456 120.714 120.200 0.097 0.000 2.070 445 E HA -0.261 4.089 4.350 -0.000 0.000 0.197 445 E C 1.992 178.635 176.600 0.072 0.000 1.004 445 E CA 1.666 58.121 56.400 0.093 0.000 0.805 445 E CB -0.064 29.717 29.700 0.135 0.000 0.744 445 E HN 0.366 nan 8.360 nan 0.000 0.451 446 M N -0.377 119.268 119.600 0.075 0.000 2.236 446 M HA -0.030 4.449 4.480 -0.000 0.000 0.266 446 M C 2.128 178.450 176.300 0.036 0.000 1.070 446 M CA 1.301 56.628 55.300 0.044 0.000 1.137 446 M CB 0.080 32.696 32.600 0.027 0.000 1.378 446 M HN 0.167 nan 8.290 nan 0.000 0.426 447 A N 0.576 123.423 122.820 0.045 0.000 1.877 447 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 447 A C 1.626 179.231 177.584 0.035 0.000 1.186 447 A CA 2.163 54.223 52.037 0.038 0.000 0.620 447 A CB -0.943 18.083 19.000 0.044 0.000 0.822 447 A HN 0.511 nan 8.150 nan 0.000 0.443 448 D N -0.594 119.829 120.400 0.038 0.000 2.097 448 D HA -0.116 4.524 4.640 -0.000 0.000 0.195 448 D C 2.304 178.624 176.300 0.033 0.000 0.989 448 D CA 1.637 55.657 54.000 0.033 0.000 0.827 448 D CB -0.473 40.348 40.800 0.034 0.000 0.966 448 D HN 0.392 nan 8.370 nan 0.000 0.456 449 S N -0.275 115.446 115.700 0.035 0.000 2.348 449 S HA -0.108 4.362 4.470 -0.000 0.000 0.221 449 S C 2.192 176.813 174.600 0.035 0.000 1.033 449 S CA 1.895 60.116 58.200 0.034 0.000 1.010 449 S CB -0.722 62.498 63.200 0.034 0.000 0.891 449 S HN 0.313 nan 8.310 nan 0.000 0.442 450 G N 0.574 109.395 108.800 0.035 0.000 2.462 450 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.220 450 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.220 450 G C 1.598 176.523 174.900 0.042 0.000 1.121 450 G CA 1.022 46.147 45.100 0.042 0.000 0.758 450 G HN 0.716 nan 8.290 nan 0.000 0.559 451 A N 0.631 123.472 122.820 0.035 0.000 1.969 451 A HA 0.072 4.392 4.320 -0.000 0.000 0.218 451 A C 2.314 179.915 177.584 0.029 0.000 1.169 451 A CA 1.842 53.897 52.037 0.030 0.000 0.635 451 A CB -0.208 18.808 19.000 0.026 0.000 0.810 451 A HN 0.406 nan 8.150 nan 0.000 0.445 452 K N -1.035 119.383 120.400 0.030 0.000 2.076 452 K HA 0.024 4.343 4.320 -0.000 0.000 0.204 452 K C -0.164 176.454 176.600 0.030 0.000 1.051 452 K CA 1.126 57.429 56.287 0.027 0.000 0.949 452 K CB 0.118 32.633 32.500 0.026 0.000 0.726 452 K HN 0.486 nan 8.250 nan 0.000 0.443 453 D N -0.200 120.223 120.400 0.038 0.000 2.891 453 D HA 0.035 4.675 4.640 -0.000 0.000 0.224 453 D C -0.989 175.350 176.300 0.064 0.000 1.321 453 D CA -0.672 53.355 54.000 0.045 0.000 0.929 453 D CB 0.783 41.607 40.800 0.041 0.000 1.551 453 D HN 0.010 nan 8.370 nan 0.000 0.574 454 N N 2.194 120.945 118.700 0.085 0.000 2.295 454 N HA 0.039 4.779 4.740 -0.000 0.000 0.221 454 N C -0.561 175.081 175.510 0.220 0.000 1.129 454 N CA -0.240 52.896 53.050 0.144 0.000 0.836 454 N CB -0.111 38.478 38.487 0.170 0.000 1.040 454 N HN 0.253 nan 8.380 nan 0.000 0.494 455 T N 1.467 116.113 114.554 0.154 0.000 2.849 455 T HA -0.022 4.328 4.350 -0.000 0.000 0.289 455 T C 0.855 175.636 174.700 0.134 0.000 1.010 455 T CA 0.192 62.390 62.100 0.163 0.000 1.161 455 T CB 0.792 69.718 68.868 0.096 0.000 0.989 455 T HN 0.215 nan 8.240 nan 0.000 0.523 456 L N 2.943 124.245 121.223 0.132 0.000 3.076 456 L HA 0.430 4.769 4.340 -0.000 0.000 0.271 456 L C 0.189 177.044 176.870 -0.026 0.000 1.152 456 L CA 0.279 55.102 54.840 -0.028 0.000 0.996 456 L CB 0.734 42.611 42.059 -0.303 0.000 1.453 456 L HN 0.753 nan 8.230 nan 0.000 0.571 457 C N 0.311 119.644 119.300 0.054 0.000 2.698 457 C HA 0.877 5.337 4.460 -0.000 0.000 0.309 457 C C 0.135 175.187 174.990 0.104 0.000 1.186 457 C CA -0.301 58.755 59.018 0.064 0.000 1.474 457 C CB 0.696 28.491 27.740 0.092 0.000 2.020 457 C HN 0.460 nan 8.230 nan 0.000 0.474 458 A N 4.346 127.233 122.820 0.111 0.000 2.311 458 A HA 0.743 5.063 4.320 -0.000 0.000 0.334 458 A C -0.638 177.079 177.584 0.222 0.000 1.139 458 A CA -0.557 51.560 52.037 0.133 0.000 0.830 458 A CB 0.615 19.674 19.000 0.099 0.000 1.234 458 A HN 0.898 nan 8.150 nan 0.000 0.483 459 K N 1.265 121.768 120.400 0.171 0.000 2.270 459 K HA 0.377 4.697 4.320 -0.000 0.000 0.276 459 K C -0.570 176.182 176.600 0.254 0.000 1.023 459 K CA 0.144 56.522 56.287 0.152 0.000 0.955 459 K CB 0.695 33.226 32.500 0.052 0.000 0.975 459 K HN 0.748 nan 8.250 nan 0.000 0.471 460 W N 0.744 122.049 121.300 0.009 0.000 2.961 460 W HA 0.474 5.134 4.660 -0.000 0.000 0.368 460 W C -1.392 175.132 176.519 0.008 0.000 1.213 460 W CA -0.761 56.588 57.345 0.006 0.000 1.173 460 W CB 0.840 30.302 29.460 0.003 0.000 1.487 460 W HN 0.427 nan 8.180 nan 0.000 0.585 461 E N 1.363 121.679 120.200 0.193 0.000 2.290 461 E HA 0.282 4.632 4.350 -0.000 0.000 0.274 461 E C -1.187 175.541 176.600 0.214 0.000 0.889 461 E CA -1.223 55.165 56.400 -0.020 0.000 0.760 461 E CB 3.151 32.852 29.700 0.002 0.000 1.206 461 E HN 0.306 nan 8.360 nan 0.000 0.419 462 M N 5.135 124.797 119.600 0.103 0.000 2.227 462 M HA 0.198 4.678 4.480 -0.000 0.000 0.349 462 M C -2.382 173.999 176.300 0.136 0.000 1.443 462 M CA -1.532 53.925 55.300 0.262 0.000 1.110 462 M CB 0.356 33.080 32.600 0.206 0.000 1.773 462 M HN 0.154 nan 8.290 nan 0.000 0.463 463 P HA 0.163 nan 4.420 nan 0.000 0.277 463 P C -0.310 177.026 177.300 0.061 0.000 1.240 463 P CA -0.145 63.001 63.100 0.077 0.000 0.798 463 P CB 0.864 32.605 31.700 0.067 0.000 0.979 464 E N 1.330 121.554 120.200 0.039 0.000 2.058 464 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 464 E C 0.245 176.863 176.600 0.030 0.000 0.997 464 E CA 1.572 57.991 56.400 0.031 0.000 0.801 464 E CB 0.088 29.800 29.700 0.020 0.000 0.746 464 E HN 0.637 nan 8.360 nan 0.000 0.450 465 E N -0.595 119.619 120.200 0.024 0.000 2.278 465 E HA 0.462 4.812 4.350 -0.000 0.000 0.272 465 E C -1.592 175.011 176.600 0.005 0.000 0.890 465 E CA -0.507 55.901 56.400 0.013 0.000 0.770 465 E CB 1.458 31.160 29.700 0.003 0.000 1.212 465 E HN 0.071 nan 8.360 nan 0.000 0.415 466 S N 2.450 118.149 115.700 -0.002 0.000 2.636 466 S HA 0.532 5.002 4.470 -0.000 0.000 0.268 466 S C -1.977 172.595 174.600 -0.048 0.000 1.159 466 S CA -0.884 57.304 58.200 -0.020 0.000 0.815 466 S CB 1.078 64.280 63.200 0.004 0.000 1.130 466 S HN 0.546 nan 8.310 nan 0.000 0.471 467 K N 0.279 120.625 120.400 -0.091 0.000 2.395 467 K HA 0.884 5.204 4.320 -0.000 0.000 0.247 467 K C -0.278 176.309 176.600 -0.022 0.000 0.973 467 K CA -0.992 55.221 56.287 -0.123 0.000 0.828 467 K CB 1.805 34.034 32.500 -0.451 0.000 1.272 467 K HN 0.741 nan 8.250 nan 0.000 0.439 468 G N 0.061 108.928 108.800 0.113 0.000 2.692 468 G HA2 0.523 4.483 3.960 -0.000 0.000 0.291 468 G HA3 0.523 4.483 3.960 -0.000 0.000 0.291 468 G C -1.981 172.990 174.900 0.117 0.000 1.423 468 G CA -0.736 44.423 45.100 0.098 0.000 0.843 468 G HN 0.499 nan 8.290 nan 0.000 0.486 469 V N -0.086 119.768 119.914 -0.100 0.000 2.686 469 V HA 0.896 5.016 4.120 -0.000 0.000 0.306 469 V C 0.014 175.826 176.094 -0.471 0.000 1.065 469 V CA 0.113 62.125 62.300 -0.479 0.000 0.894 469 V CB 1.838 33.142 31.823 -0.866 0.000 1.004 469 V HN 1.440 nan 8.190 nan 0.000 0.424 470 G N 6.582 115.062 108.800 -0.535 0.000 2.487 470 G HA2 0.661 4.621 3.960 -0.000 0.000 0.314 470 G HA3 0.661 4.621 3.960 -0.000 0.000 0.314 470 G C -1.252 173.318 174.900 -0.550 0.000 1.267 470 G CA -0.590 44.233 45.100 -0.460 0.000 0.937 470 G HN 0.780 nan 8.290 nan 0.000 0.481 471 L N 1.526 122.403 121.223 -0.576 0.000 2.334 471 L HA 0.866 5.206 4.340 -0.000 0.000 0.276 471 L C 0.285 176.842 176.870 -0.521 0.000 1.014 471 L CA -0.852 53.648 54.840 -0.568 0.000 0.815 471 L CB 2.150 43.803 42.059 -0.677 0.000 1.268 471 L HN 0.638 nan 8.230 nan 0.000 0.428 472 A N 1.309 124.007 122.820 -0.203 0.000 2.574 472 A HA 0.550 4.870 4.320 -0.000 0.000 0.297 472 A C -1.744 175.894 177.584 0.089 0.000 1.062 472 A CA -0.587 51.369 52.037 -0.135 0.000 0.686 472 A CB 1.665 20.536 19.000 -0.215 0.000 1.285 472 A HN 0.636 nan 8.150 nan 0.000 0.403 473 D N 1.586 122.053 120.400 0.111 0.000 2.428 473 D HA 0.567 5.207 4.640 -0.000 0.000 0.221 473 D C 0.571 176.963 176.300 0.153 0.000 1.123 473 D CA 0.643 54.720 54.000 0.128 0.000 0.869 473 D CB 1.222 42.126 40.800 0.173 0.000 1.032 473 D HN 0.821 nan 8.370 nan 0.000 0.506 474 A N 4.107 126.975 122.820 0.080 0.000 2.296 474 A HA 0.394 4.714 4.320 -0.000 0.000 0.264 474 A C -1.278 176.264 177.584 -0.071 0.000 1.097 474 A CA -0.942 51.124 52.037 0.048 0.000 0.811 474 A CB 0.193 19.175 19.000 -0.031 0.000 1.072 474 A HN 0.373 nan 8.150 nan 0.000 0.495 475 P HA -0.155 nan 4.420 nan 0.000 0.217 475 P C 1.036 178.291 177.300 -0.075 0.000 1.151 475 P CA 1.594 64.408 63.100 -0.477 0.000 0.849 475 P CB 0.069 31.564 31.700 -0.342 0.000 0.787 476 R N -1.863 118.635 120.500 -0.004 0.000 2.310 476 R HA 0.354 4.694 4.340 -0.000 0.000 0.202 476 R C 1.173 177.518 176.300 0.074 0.000 0.933 476 R CA 0.508 56.644 56.100 0.060 0.000 1.054 476 R CB 0.110 30.465 30.300 0.092 0.000 0.985 476 R HN 0.239 nan 8.270 nan 0.000 0.489 477 G N 0.129 108.957 108.800 0.046 0.000 2.255 477 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.216 477 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.216 477 G C -1.374 173.510 174.900 -0.027 0.000 1.307 477 G CA -0.564 44.547 45.100 0.019 0.000 1.162 477 G HN 0.187 nan 8.290 nan 0.000 0.494 478 A N -0.051 122.654 122.820 -0.191 0.000 2.444 478 A HA 0.585 4.905 4.320 -0.000 0.000 0.287 478 A C -0.066 177.530 177.584 0.020 0.000 1.195 478 A CA 0.569 52.350 52.037 -0.427 0.000 0.858 478 A CB 0.183 18.373 19.000 -1.350 0.000 1.117 478 A HN 1.981 nan 8.150 nan 0.000 0.521 479 L N 3.736 125.114 121.223 0.258 0.000 2.322 479 L HA 0.747 5.087 4.340 -0.000 0.000 0.281 479 L C 0.021 177.094 176.870 0.338 0.000 1.014 479 L CA 0.186 55.195 54.840 0.282 0.000 0.815 479 L CB 1.930 44.006 42.059 0.028 0.000 1.247 479 L HN 0.625 nan 8.230 nan 0.000 0.421 480 S N 2.630 118.531 115.700 0.334 0.000 2.571 480 S HA 0.601 5.071 4.470 -0.000 0.000 0.284 480 S C -0.920 173.706 174.600 0.043 0.000 1.128 480 S CA -0.714 57.471 58.200 -0.025 0.000 0.970 480 S CB 0.842 63.946 63.200 -0.158 0.000 1.039 480 S HN 0.778 nan 8.310 nan 0.000 0.485 481 H N 0.959 119.761 119.070 -0.447 0.000 2.495 481 H HA 0.461 5.017 4.556 -0.000 0.000 0.348 481 H C -1.539 173.382 175.328 -0.679 0.000 1.113 481 H CA -0.749 55.099 56.048 -0.333 0.000 1.195 481 H CB 1.317 30.996 29.762 -0.139 0.000 1.521 481 H HN 0.639 nan 8.280 nan 0.000 0.509 482 W N 4.273 125.300 121.300 -0.456 0.000 2.647 482 W HA 0.449 5.109 4.660 -0.000 0.000 0.328 482 W C -0.766 175.471 176.519 -0.470 0.000 1.018 482 W CA -0.478 56.629 57.345 -0.396 0.000 1.245 482 W CB 1.172 30.381 29.460 -0.419 0.000 1.356 482 W HN 0.309 nan 8.180 nan 0.000 0.443 483 I N 3.464 123.989 120.570 -0.075 0.000 2.530 483 I HA 0.551 4.721 4.170 -0.000 0.000 0.297 483 I C -0.379 175.813 176.117 0.125 0.000 1.011 483 I CA -1.251 59.995 61.300 -0.090 0.000 1.107 483 I CB 1.253 39.170 38.000 -0.140 0.000 1.285 483 I HN 0.370 nan 8.210 nan 0.000 0.436 484 R N 7.553 128.115 120.500 0.102 0.000 2.393 484 R HA 0.557 4.896 4.340 -0.000 0.000 0.315 484 R C -1.170 175.166 176.300 0.059 0.000 0.952 484 R CA -0.720 55.411 56.100 0.052 0.000 0.842 484 R CB 1.790 32.120 30.300 0.050 0.000 1.163 484 R HN 0.555 nan 8.270 nan 0.000 0.450 485 I N 2.960 123.554 120.570 0.040 0.000 2.331 485 I HA 0.277 4.447 4.170 -0.000 0.000 0.292 485 I C -0.023 176.114 176.117 0.033 0.000 0.998 485 I CA -0.294 61.036 61.300 0.050 0.000 1.267 485 I CB 1.293 39.327 38.000 0.056 0.000 1.386 485 I HN 0.345 nan 8.210 nan 0.000 0.476 486 K N 4.615 125.037 120.400 0.036 0.000 2.507 486 K HA 0.519 4.839 4.320 -0.000 0.000 0.251 486 K C 0.212 176.829 176.600 0.028 0.000 0.943 486 K CA -0.347 55.955 56.287 0.025 0.000 0.794 486 K CB 1.747 34.259 32.500 0.020 0.000 1.188 486 K HN 0.767 nan 8.250 nan 0.000 0.428 487 G N 3.851 112.666 108.800 0.025 0.000 2.221 487 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.265 487 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.265 487 G C 0.066 174.985 174.900 0.033 0.000 1.041 487 G CA 0.719 45.834 45.100 0.025 0.000 0.807 487 G HN 0.852 nan 8.290 nan 0.000 0.502 488 K N -2.493 117.933 120.400 0.043 0.000 3.407 488 K HA -0.212 4.108 4.320 -0.000 0.000 0.312 488 K C 0.899 177.537 176.600 0.063 0.000 1.302 488 K CA 1.947 58.270 56.287 0.059 0.000 0.931 488 K CB -0.646 31.887 32.500 0.055 0.000 1.257 488 K HN 0.554 nan 8.250 nan 0.000 0.454 489 K N 0.262 120.694 120.400 0.053 0.000 2.346 489 K HA 0.471 4.791 4.320 -0.000 0.000 0.238 489 K C 0.289 176.925 176.600 0.059 0.000 1.039 489 K CA -0.884 55.433 56.287 0.050 0.000 0.861 489 K CB 0.914 33.433 32.500 0.032 0.000 1.278 489 K HN -0.019 nan 8.250 nan 0.000 0.460 490 I N 2.005 122.609 120.570 0.057 0.000 2.421 490 I HA -0.076 4.094 4.170 -0.000 0.000 0.291 490 I C 1.129 177.288 176.117 0.069 0.000 1.089 490 I CA 0.355 61.708 61.300 0.088 0.000 1.354 490 I CB 0.360 38.411 38.000 0.086 0.000 1.413 490 I HN 0.614 nan 8.210 nan 0.000 0.513 491 D N 4.903 125.348 120.400 0.076 0.000 2.201 491 D HA -0.032 4.608 4.640 -0.000 0.000 0.209 491 D C 0.340 176.686 176.300 0.077 0.000 0.961 491 D CA 0.976 55.012 54.000 0.060 0.000 0.861 491 D CB 0.433 41.262 40.800 0.047 0.000 0.997 491 D HN 0.433 nan 8.370 nan 0.000 0.486 492 N N -1.073 117.692 118.700 0.109 0.000 2.308 492 N HA 0.291 5.031 4.740 -0.000 0.000 0.283 492 N C -2.155 173.470 175.510 0.193 0.000 1.105 492 N CA -0.606 52.523 53.050 0.131 0.000 0.840 492 N CB 1.140 39.692 38.487 0.108 0.000 1.633 492 N HN -0.034 nan 8.380 nan 0.000 0.476 493 F N 2.146 122.126 119.950 0.050 0.000 2.617 493 F HA 0.459 4.986 4.527 -0.000 0.000 0.325 493 F C -1.137 174.682 175.800 0.031 0.000 1.179 493 F CA -0.391 57.635 58.000 0.044 0.000 0.965 493 F CB 1.330 40.319 39.000 -0.019 0.000 1.232 493 F HN 0.250 nan 8.300 nan 0.000 0.461 494 Q N 6.103 125.937 119.800 0.057 0.000 2.340 494 Q HA 0.498 4.838 4.340 -0.000 0.000 0.268 494 Q C -1.512 174.548 176.000 0.100 0.000 1.031 494 Q CA -1.013 54.854 55.803 0.108 0.000 0.804 494 Q CB 3.073 31.827 28.738 0.026 0.000 1.286 494 Q HN 0.584 nan 8.270 nan 0.000 0.448 495 L N 1.658 122.893 121.223 0.019 0.000 2.309 495 L HA 0.520 4.860 4.340 -0.000 0.000 0.282 495 L C -0.326 176.574 176.870 0.050 0.000 1.036 495 L CA -0.612 54.164 54.840 -0.106 0.000 0.806 495 L CB 1.680 43.368 42.059 -0.619 0.000 1.220 495 L HN 0.270 nan 8.230 nan 0.000 0.429 496 V N 4.101 124.160 119.914 0.242 0.000 2.409 496 V HA 0.560 4.680 4.120 -0.000 0.000 0.290 496 V C -0.271 176.026 176.094 0.338 0.000 1.017 496 V CA -0.624 61.820 62.300 0.239 0.000 0.841 496 V CB 1.763 33.728 31.823 0.237 0.000 1.003 496 V HN 0.464 nan 8.190 nan 0.000 0.426 497 V N 6.464 126.559 119.914 0.302 0.000 2.815 497 V HA 0.421 4.540 4.120 -0.000 0.000 0.314 497 V C -1.555 174.771 176.094 0.388 0.000 1.064 497 V CA -1.808 60.705 62.300 0.355 0.000 0.952 497 V CB 2.210 34.260 31.823 0.378 0.000 1.020 497 V HN 0.536 nan 8.190 nan 0.000 0.439 498 P HA -0.135 nan 4.420 nan 0.000 0.215 498 P C 1.635 179.125 177.300 0.317 0.000 1.163 498 P CA 1.548 64.853 63.100 0.342 0.000 0.894 498 P CB 0.173 31.989 31.700 0.194 0.000 0.791 499 S N -1.438 114.414 115.700 0.255 0.000 2.474 499 S HA -0.081 4.389 4.470 -0.000 0.000 0.235 499 S C 1.726 176.436 174.600 0.184 0.000 0.997 499 S CA 1.449 59.775 58.200 0.209 0.000 0.949 499 S CB -1.135 62.183 63.200 0.197 0.000 0.766 499 S HN 0.314 nan 8.310 nan 0.000 0.517 500 T N 0.566 115.240 114.554 0.199 0.000 2.737 500 T HA -0.107 4.243 4.350 -0.000 0.000 0.265 500 T C 1.328 176.047 174.700 0.032 0.000 1.038 500 T CA 1.042 63.199 62.100 0.094 0.000 1.144 500 T CB -0.353 68.545 68.868 0.049 0.000 0.866 500 T HN 0.550 nan 8.240 nan 0.000 0.434 501 W N 2.122 123.459 121.300 0.062 0.000 2.333 501 W HA -0.081 4.578 4.660 -0.000 0.000 0.316 501 W C 2.488 178.992 176.519 -0.026 0.000 1.215 501 W CA 0.577 57.932 57.345 0.015 0.000 1.278 501 W CB -0.447 29.020 29.460 0.012 0.000 1.154 501 W HN 0.174 nan 8.180 nan 0.000 0.486 502 N N -0.258 118.573 118.700 0.219 0.000 2.216 502 N HA -0.058 4.682 4.740 -0.000 0.000 0.183 502 N C 1.240 176.629 175.510 -0.201 0.000 1.017 502 N CA 1.233 54.271 53.050 -0.019 0.000 0.861 502 N CB -0.523 37.987 38.487 0.040 0.000 0.986 502 N HN 0.163 nan 8.380 nan 0.000 0.428 503 L N -0.506 120.675 121.223 -0.070 0.000 3.069 503 L HA 0.373 4.713 4.340 -0.000 0.000 0.271 503 L C 1.144 178.012 176.870 -0.005 0.000 1.201 503 L CA -0.302 54.492 54.840 -0.076 0.000 1.015 503 L CB 0.753 42.805 42.059 -0.013 0.000 1.371 503 L HN -0.074 nan 8.230 nan 0.000 0.574 504 G N 0.715 109.512 108.800 -0.005 0.000 2.683 504 G HA2 0.328 4.288 3.960 -0.000 0.000 0.260 504 G HA3 0.328 4.288 3.960 -0.000 0.000 0.260 504 G C -2.381 172.502 174.900 -0.029 0.000 1.238 504 G CA -0.534 44.559 45.100 -0.012 0.000 0.934 504 G HN -0.092 nan 8.290 nan 0.000 0.534 505 P HA 0.270 nan 4.420 nan 0.000 0.317 505 P C -0.199 177.058 177.300 -0.072 0.000 1.307 505 P CA -0.784 62.254 63.100 -0.104 0.000 0.749 505 P CB 0.935 32.331 31.700 -0.507 0.000 1.377 506 R N -1.025 119.422 120.500 -0.090 0.000 2.738 506 R HA 0.426 4.766 4.340 -0.000 0.000 0.268 506 R C 1.131 177.403 176.300 -0.046 0.000 1.062 506 R CA 0.167 56.152 56.100 -0.192 0.000 1.158 506 R CB -0.467 29.479 30.300 -0.589 0.000 1.046 506 R HN 0.561 nan 8.270 nan 0.000 0.493 507 G N -0.263 108.539 108.800 0.003 0.000 2.532 507 G HA2 0.342 4.302 3.960 -0.000 0.000 0.291 507 G HA3 0.342 4.302 3.960 -0.000 0.000 0.291 507 G C 0.603 175.627 174.900 0.207 0.000 1.349 507 G CA -0.058 45.100 45.100 0.098 0.000 1.038 507 G HN 0.626 nan 8.290 nan 0.000 0.518 508 A N -1.315 121.612 122.820 0.178 0.000 2.070 508 A HA -0.024 4.295 4.320 -0.000 0.000 0.220 508 A C 2.071 179.750 177.584 0.158 0.000 1.159 508 A CA 1.615 53.745 52.037 0.156 0.000 0.656 508 A CB -0.287 18.769 19.000 0.094 0.000 0.800 508 A HN 0.594 nan 8.150 nan 0.000 0.453 509 Q N -1.530 118.351 119.800 0.135 0.000 2.320 509 Q HA 0.335 4.675 4.340 -0.000 0.000 0.201 509 Q C 1.079 177.135 176.000 0.094 0.000 0.910 509 Q CA 0.427 56.289 55.803 0.099 0.000 0.946 509 Q CB 0.235 29.016 28.738 0.071 0.000 1.062 509 Q HN 0.800 nan 8.270 nan 0.000 0.503 510 G N 1.792 110.670 108.800 0.130 0.000 2.159 510 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.256 510 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.256 510 G C -0.380 174.444 174.900 -0.126 0.000 0.977 510 G CA 0.264 45.357 45.100 -0.012 0.000 0.652 510 G HN 0.526 nan 8.290 nan 0.000 0.531 511 D N 0.726 121.087 120.400 -0.065 0.000 2.351 511 D HA 0.372 5.012 4.640 -0.000 0.000 0.251 511 D C 0.483 176.715 176.300 -0.114 0.000 1.137 511 D CA -0.208 53.747 54.000 -0.075 0.000 0.879 511 D CB 1.161 41.946 40.800 -0.024 0.000 1.181 511 D HN 0.313 nan 8.370 nan 0.000 0.448 512 K N 0.935 121.252 120.400 -0.138 0.000 2.380 512 K HA 0.107 4.426 4.320 -0.000 0.000 0.267 512 K C 0.827 177.367 176.600 -0.100 0.000 0.990 512 K CA -0.277 55.916 56.287 -0.156 0.000 0.946 512 K CB 0.519 32.907 32.500 -0.186 0.000 0.937 512 K HN 0.663 nan 8.250 nan 0.000 0.491 513 S N 2.019 117.662 115.700 -0.094 0.000 2.617 513 S HA 0.116 4.586 4.470 -0.000 0.000 0.259 513 S C -1.884 172.659 174.600 -0.094 0.000 1.301 513 S CA -1.231 56.925 58.200 -0.073 0.000 0.984 513 S CB 0.824 63.981 63.200 -0.072 0.000 0.954 513 S HN 0.333 nan 8.310 nan 0.000 0.572 514 P HA -0.125 nan 4.420 nan 0.000 0.214 514 P C 1.725 178.895 177.300 -0.218 0.000 1.163 514 P CA 0.806 63.848 63.100 -0.097 0.000 0.889 514 P CB -0.155 31.505 31.700 -0.067 0.000 0.790 515 V N 0.057 119.644 119.914 -0.545 0.000 2.343 515 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 515 V C 2.042 178.062 176.094 -0.124 0.000 1.051 515 V CA 2.001 64.000 62.300 -0.502 0.000 1.036 515 V CB -0.959 30.543 31.823 -0.534 0.000 0.654 515 V HN 0.111 nan 8.190 nan 0.000 0.451 516 E N -0.450 119.672 120.200 -0.130 0.000 2.077 516 E HA -0.286 4.064 4.350 -0.000 0.000 0.193 516 E C 2.137 178.672 176.600 -0.109 0.000 0.989 516 E CA 1.546 57.870 56.400 -0.127 0.000 0.800 516 E CB -0.085 29.509 29.700 -0.178 0.000 0.746 516 E HN 0.676 nan 8.360 nan 0.000 0.452 517 E N 0.800 120.953 120.200 -0.078 0.000 2.107 517 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 517 E C 1.878 178.493 176.600 0.025 0.000 0.982 517 E CA 1.068 57.441 56.400 -0.044 0.000 0.809 517 E CB -0.078 29.599 29.700 -0.039 0.000 0.756 517 E HN 0.229 nan 8.360 nan 0.000 0.459 518 A N 0.321 123.207 122.820 0.111 0.000 2.019 518 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 518 A C 2.127 179.803 177.584 0.153 0.000 1.164 518 A CA 0.946 53.105 52.037 0.202 0.000 0.644 518 A CB -0.559 18.712 19.000 0.453 0.000 0.805 518 A HN 0.338 nan 8.150 nan 0.000 0.449 519 L N 0.108 121.396 121.223 0.109 0.000 2.201 519 L HA -0.032 4.308 4.340 -0.000 0.000 0.212 519 L C 0.178 177.069 176.870 0.036 0.000 1.105 519 L CA -0.035 54.856 54.840 0.085 0.000 0.775 519 L CB -0.305 41.787 42.059 0.056 0.000 0.913 519 L HN 0.248 nan 8.230 nan 0.000 0.440 520 I N 0.970 121.539 120.570 -0.002 0.000 2.668 520 I HA 0.026 4.196 4.170 -0.000 0.000 0.285 520 I C 1.403 177.514 176.117 -0.010 0.000 1.168 520 I CA 1.088 62.373 61.300 -0.026 0.000 1.424 520 I CB -0.217 37.751 38.000 -0.054 0.000 1.377 520 I HN 0.373 nan 8.210 nan 0.000 0.560 521 G N 4.397 113.191 108.800 -0.011 0.000 2.176 521 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.232 521 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.232 521 G C 0.481 175.363 174.900 -0.031 0.000 0.986 521 G CA -0.031 45.058 45.100 -0.019 0.000 0.643 521 G HN 0.570 nan 8.290 nan 0.000 0.522 522 T N 4.077 118.625 114.554 -0.010 0.000 2.888 522 T HA 0.463 4.813 4.350 -0.000 0.000 0.301 522 T C -1.902 172.803 174.700 0.009 0.000 1.001 522 T CA 0.103 62.193 62.100 -0.017 0.000 1.147 522 T CB 1.670 70.576 68.868 0.063 0.000 0.931 522 T HN 0.265 nan 8.240 nan 0.000 0.541 523 P HA 0.363 nan 4.420 nan 0.000 0.285 523 P C -0.959 176.407 177.300 0.110 0.000 1.259 523 P CA -0.602 62.525 63.100 0.044 0.000 0.794 523 P CB 0.728 32.442 31.700 0.022 0.000 0.940 524 I N 2.897 123.538 120.570 0.117 0.000 2.390 524 I HA 0.214 4.384 4.170 -0.000 0.000 0.283 524 I C 1.456 177.644 176.117 0.119 0.000 1.016 524 I CA -0.886 60.487 61.300 0.121 0.000 1.151 524 I CB 0.446 38.508 38.000 0.104 0.000 1.293 524 I HN 0.400 nan 8.210 nan 0.000 0.458 525 A N 4.525 127.440 122.820 0.157 0.000 1.929 525 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 525 A C 0.717 178.323 177.584 0.036 0.000 1.176 525 A CA 1.255 53.375 52.037 0.139 0.000 0.628 525 A CB -0.020 19.122 19.000 0.237 0.000 0.816 525 A HN 0.649 nan 8.150 nan 0.000 0.444 526 D N -1.995 118.401 120.400 -0.007 0.000 2.386 526 D HA 0.255 4.895 4.640 -0.000 0.000 0.247 526 D C -2.287 173.910 176.300 -0.171 0.000 1.336 526 D CA -1.710 52.213 54.000 -0.127 0.000 0.976 526 D CB 1.583 42.217 40.800 -0.276 0.000 1.257 526 D HN -0.033 nan 8.370 nan 0.000 0.570 527 P HA -0.171 nan 4.420 nan 0.000 0.221 527 P C 1.141 178.209 177.300 -0.386 0.000 1.145 527 P CA 0.750 63.568 63.100 -0.470 0.000 0.795 527 P CB 0.644 31.720 31.700 -1.039 0.000 0.775 528 K N 0.545 120.768 120.400 -0.295 0.000 2.217 528 K HA -0.040 4.280 4.320 -0.000 0.000 0.202 528 K C 1.010 177.430 176.600 -0.300 0.000 1.051 528 K CA 0.904 57.053 56.287 -0.231 0.000 0.952 528 K CB 0.056 32.457 32.500 -0.165 0.000 0.736 528 K HN 0.011 nan 8.250 nan 0.000 0.453 529 R N 0.788 121.052 120.500 -0.394 0.000 2.653 529 R HA 0.210 4.550 4.340 -0.000 0.000 0.269 529 R C -2.458 173.475 176.300 -0.612 0.000 1.603 529 R CA -1.332 54.272 56.100 -0.826 0.000 1.671 529 R CB 1.418 31.463 30.300 -0.425 0.000 1.300 529 R HN 0.057 nan 8.270 nan 0.000 0.668 530 P HA -0.001 nan 4.420 nan 0.000 0.220 530 P C 1.001 178.307 177.300 0.010 0.000 1.806 530 P CA 0.023 63.053 63.100 -0.117 0.000 0.976 530 P CB 0.701 32.365 31.700 -0.060 0.000 1.952 531 V N 2.270 122.200 119.914 0.027 0.000 2.469 531 V HA -0.283 3.837 4.120 -0.000 0.000 0.251 531 V C 1.903 177.960 176.094 -0.061 0.000 1.064 531 V CA 2.170 64.517 62.300 0.079 0.000 1.066 531 V CB -0.680 31.104 31.823 -0.066 0.000 0.667 531 V HN 0.163 nan 8.190 nan 0.000 0.461 532 E N 0.378 120.586 120.200 0.014 0.000 2.160 532 E HA -0.189 4.160 4.350 -0.000 0.000 0.195 532 E C 1.946 178.653 176.600 0.180 0.000 0.991 532 E CA 1.977 58.475 56.400 0.163 0.000 0.810 532 E CB -0.371 29.551 29.700 0.370 0.000 0.742 532 E HN 0.714 nan 8.360 nan 0.000 0.466 533 I N 0.396 121.034 120.570 0.114 0.000 2.226 533 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 533 I C 2.094 178.222 176.117 0.019 0.000 1.100 533 I CA 0.977 62.335 61.300 0.097 0.000 1.374 533 I CB -0.237 37.815 38.000 0.087 0.000 1.057 533 I HN 0.113 nan 8.210 nan 0.000 0.413 534 L N 0.052 121.243 121.223 -0.052 0.000 2.083 534 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 534 L C 2.757 179.474 176.870 -0.255 0.000 1.083 534 L CA 1.377 56.065 54.840 -0.254 0.000 0.752 534 L CB -0.600 41.357 42.059 -0.170 0.000 0.899 534 L HN 0.179 nan 8.230 nan 0.000 0.433 535 R N -0.724 119.642 120.500 -0.222 0.000 2.073 535 R HA -0.139 4.201 4.340 -0.000 0.000 0.234 535 R C 2.359 178.716 176.300 0.095 0.000 1.134 535 R CA 2.000 57.916 56.100 -0.305 0.000 0.952 535 R CB -0.417 29.256 30.300 -1.046 0.000 0.850 535 R HN 0.294 nan 8.270 nan 0.000 0.433 536 T N 0.257 114.930 114.554 0.199 0.000 2.732 536 T HA -0.076 4.273 4.350 -0.000 0.000 0.261 536 T C 1.911 176.792 174.700 0.303 0.000 1.040 536 T CA 1.237 63.533 62.100 0.325 0.000 1.145 536 T CB -0.116 68.978 68.868 0.375 0.000 0.866 536 T HN -0.027 nan 8.240 nan 0.000 0.427 537 V N 1.200 121.229 119.914 0.191 0.000 2.282 537 V HA -0.262 3.857 4.120 -0.000 0.000 0.249 537 V C 2.169 178.383 176.094 0.201 0.000 1.057 537 V CA 1.929 64.339 62.300 0.183 0.000 1.032 537 V CB -0.738 31.098 31.823 0.023 0.000 0.645 537 V HN 0.667 nan 8.190 nan 0.000 0.447 538 H N -0.375 118.738 119.070 0.072 0.000 2.421 538 H HA -0.065 4.491 4.556 -0.000 0.000 0.298 538 H C 2.300 177.533 175.328 -0.158 0.000 1.087 538 H CA 0.939 56.944 56.048 -0.072 0.000 1.330 538 H CB -0.152 29.430 29.762 -0.300 0.000 1.388 538 H HN 0.472 nan 8.280 nan 0.000 0.526 539 A N 0.762 123.568 122.820 -0.024 0.000 1.986 539 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 539 A C 1.728 179.309 177.584 -0.005 0.000 1.171 539 A CA 1.456 53.536 52.037 0.073 0.000 0.640 539 A CB -0.898 18.196 19.000 0.157 0.000 0.811 539 A HN 0.393 nan 8.150 nan 0.000 0.451 540 F N -0.684 119.324 119.950 0.097 0.000 2.811 540 F HA 0.068 4.595 4.527 -0.000 0.000 0.301 540 F C 0.765 176.576 175.800 0.018 0.000 1.151 540 F CA 0.667 58.713 58.000 0.077 0.000 1.412 540 F CB 0.079 39.140 39.000 0.101 0.000 1.113 540 F HN 0.289 nan 8.300 nan 0.000 0.579 541 D N 0.504 120.970 120.400 0.111 0.000 2.812 541 D HA -0.154 4.486 4.640 -0.000 0.000 0.237 541 D C -2.628 173.738 176.300 0.111 0.000 1.162 541 D CA -0.111 53.843 54.000 -0.077 0.000 0.740 541 D CB -0.415 40.129 40.800 -0.426 0.000 1.000 541 D HN 0.091 nan 8.370 nan 0.000 0.416 542 P HA 0.184 nan 4.420 nan 0.000 0.271 542 P C -0.295 177.106 177.300 0.168 0.000 1.216 542 P CA -0.622 62.592 63.100 0.190 0.000 0.776 542 P CB 1.289 33.107 31.700 0.196 0.000 0.881 543 C N 5.701 125.100 119.300 0.164 0.000 2.407 543 C HA 0.345 4.805 4.460 -0.000 0.000 0.328 543 C C 1.371 176.462 174.990 0.169 0.000 1.137 543 C CA -0.496 58.618 59.018 0.160 0.000 1.390 543 C CB -0.980 26.863 27.740 0.172 0.000 1.989 543 C HN 0.489 nan 8.230 nan 0.000 0.432 544 I N 4.014 124.672 120.570 0.147 0.000 2.584 544 I HA 0.036 4.206 4.170 -0.000 0.000 0.255 544 I C 2.514 178.731 176.117 0.167 0.000 1.145 544 I CA 1.463 62.863 61.300 0.166 0.000 1.462 544 I CB -1.526 36.577 38.000 0.173 0.000 1.102 544 I HN 0.785 nan 8.210 nan 0.000 0.433 545 A N 0.332 123.236 122.820 0.141 0.000 1.933 545 A HA -0.203 4.116 4.320 -0.000 0.000 0.218 545 A C 2.603 180.290 177.584 0.172 0.000 1.175 545 A CA 1.665 53.778 52.037 0.127 0.000 0.628 545 A CB -1.116 17.945 19.000 0.102 0.000 0.814 545 A HN 0.458 nan 8.150 nan 0.000 0.444 546 C N -1.082 118.355 119.300 0.228 0.000 2.413 546 C HA -0.036 4.424 4.460 -0.000 0.000 0.277 546 C C 3.051 178.291 174.990 0.417 0.000 1.228 546 C CA 0.932 60.154 59.018 0.339 0.000 1.731 546 C CB -1.563 26.391 27.740 0.357 0.000 2.042 546 C HN 0.699 nan 8.230 nan 0.000 0.468 547 G N -0.306 108.673 108.800 0.298 0.000 2.418 547 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.217 547 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.217 547 G C 1.556 176.557 174.900 0.168 0.000 1.158 547 G CA 1.592 46.850 45.100 0.263 0.000 0.771 547 G HN 0.443 nan 8.290 nan 0.000 0.545 548 V N 1.388 121.347 119.914 0.075 0.000 2.575 548 V HA 0.115 4.234 4.120 -0.000 0.000 0.242 548 V C 1.181 176.898 176.094 -0.628 0.000 1.045 548 V CA 0.780 63.008 62.300 -0.121 0.000 1.065 548 V CB -0.876 31.030 31.823 0.138 0.000 0.717 548 V HN 0.774 nan 8.190 nan 0.000 0.467 549 H N 0.000 119.088 119.070 0.030 0.000 2.539 549 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 549 H CA 0.000 55.996 56.048 -0.086 0.000 1.023 549 H CB 0.000 29.720 29.762 -0.071 0.000 1.292 549 H HN 0.000 nan 8.280 nan 0.000 0.496