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 3akz_1_C DATA FIRST_RESID 24 DATA SEQUENCE LVRVRFAPSP TGHLHVGGAR TALFNWMFAR KEGGKFILRI EDTDTERSSR DATA SEQUENCE EYEQQILESL RWCGLDWDEG PDIGGDFGPY RQSERLEIYR EYAEKLVEDK DATA SEQUENCE RAYYVVYDKE DPSKELFTTY EYPHEYKEKG HPVTIKFKVL PGKTSFEDLL DATA SEQUENCE KGYMEFDNST LEDFIIMKSN GFPTYNFAVV VDDHLMRISH VFRGEDHLSN DATA SEQUENCE TPKQLMIYEA FGWEAPVFMH IPLILGSDRT PLSKRHGATS VEHFRREGIL DATA SEQUENCE SRALMNYLAL LGWRVEGDEI FTIEEKLQSF DPKDISNKGV IFDYQKLEWV DATA SEQUENCE NGKHMRRIDL EDLKREFIEW AKYAGKEIPS VDERYFSETL RICREKVNTL DATA SEQUENCE SQLYDIMYPF MNDDYEYEKD YVEKFLKREE AERVLEEAKK AFKDLNSWNM DATA SEQUENCE EEIEKTLRDL SEKGLASKKV VFQLIRGAVT GKLVTPGLFE TIEVLGKERT DATA SEQUENCE LKRLERTLQF LKK 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 24 L HA 0.000 nan 4.340 nan 0.000 0.249 24 L C 0.000 176.882 176.870 0.020 0.000 1.165 24 L CA 0.000 54.847 54.840 0.011 0.000 0.813 24 L CB 0.000 42.065 42.059 0.009 0.000 0.961 25 V N 2.449 122.378 119.914 0.025 0.000 2.872 25 V HA 0.406 4.527 4.120 0.001 0.000 0.307 25 V C 0.299 176.434 176.094 0.069 0.000 1.072 25 V CA 0.395 62.737 62.300 0.069 0.000 1.148 25 V CB 0.849 32.660 31.823 -0.020 0.000 0.954 25 V HN 0.308 nan 8.190 nan 0.000 0.490 26 R N 2.618 123.193 120.500 0.125 0.000 2.510 26 R HA 0.599 4.940 4.340 0.001 0.000 0.287 26 R C -1.443 174.933 176.300 0.125 0.000 1.084 26 R CA -0.394 55.752 56.100 0.077 0.000 0.934 26 R CB 1.895 32.167 30.300 -0.047 0.000 1.201 26 R HN 0.659 nan 8.270 nan 0.000 0.431 27 V N 0.885 120.914 119.914 0.192 0.000 2.841 27 V HA 0.829 4.950 4.120 0.001 0.000 0.310 27 V C -0.463 175.806 176.094 0.291 0.000 1.090 27 V CA -1.078 61.367 62.300 0.243 0.000 0.930 27 V CB 2.626 34.710 31.823 0.435 0.000 1.014 27 V HN 0.776 nan 8.190 nan 0.000 0.425 28 R N 3.097 123.742 120.500 0.242 0.000 2.799 28 R HA 0.634 4.975 4.340 0.001 0.000 0.270 28 R C -2.276 174.229 176.300 0.341 0.000 1.010 28 R CA -0.968 55.234 56.100 0.169 0.000 0.916 28 R CB 1.872 32.168 30.300 -0.008 0.000 1.228 28 R HN 0.889 nan 8.270 nan 0.000 0.469 29 F N 1.323 121.323 119.950 0.083 0.000 2.430 29 F HA 0.665 5.193 4.527 0.001 0.000 0.362 29 F C -0.913 174.905 175.800 0.030 0.000 1.103 29 F CA -0.905 57.205 58.000 0.183 0.000 1.045 29 F CB 1.497 40.737 39.000 0.399 0.000 1.276 29 F HN 0.792 nan 8.300 nan 0.000 0.444 30 A N 8.448 131.081 122.820 -0.311 0.000 2.969 30 A HA 0.501 4.821 4.320 0.001 0.000 0.328 30 A C -2.718 174.593 177.584 -0.456 0.000 1.355 30 A CA -1.353 50.495 52.037 -0.316 0.000 1.018 30 A CB -0.777 18.156 19.000 -0.112 0.000 1.159 30 A HN 0.458 nan 8.150 nan 0.000 0.505 31 P HA 0.243 nan 4.420 nan 0.000 0.284 31 P C -0.278 176.870 177.300 -0.254 0.000 1.253 31 P CA -0.054 62.734 63.100 -0.520 0.000 0.800 31 P CB 1.407 32.742 31.700 -0.608 0.000 0.961 32 S N 4.512 120.102 115.700 -0.184 0.000 2.481 32 S HA 0.187 4.658 4.470 0.001 0.000 0.276 32 S C -1.641 172.912 174.600 -0.077 0.000 1.247 32 S CA -0.892 57.234 58.200 -0.123 0.000 1.053 32 S CB -0.125 62.998 63.200 -0.128 0.000 0.925 32 S HN 0.431 nan 8.310 nan 0.000 0.491 33 P HA 0.069 nan 4.420 nan 0.000 0.232 33 P C 0.671 177.993 177.300 0.036 0.000 1.738 33 P CA 0.009 63.106 63.100 -0.004 0.000 0.948 33 P CB -0.898 30.800 31.700 -0.004 0.000 1.943 34 T N -3.432 111.114 114.554 -0.013 0.000 3.107 34 T HA 0.396 4.746 4.350 0.001 0.000 0.249 34 T C 0.992 175.579 174.700 -0.187 0.000 1.096 34 T CA 0.536 62.597 62.100 -0.066 0.000 1.012 34 T CB 0.361 69.177 68.868 -0.087 0.000 0.977 34 T HN 0.270 nan 8.240 nan 0.000 0.527 35 G N -0.053 108.709 108.800 -0.063 0.000 2.929 35 G HA2 0.486 4.447 3.960 0.001 0.000 0.123 35 G HA3 0.486 4.447 3.960 0.001 0.000 0.123 35 G C -1.869 173.156 174.900 0.208 0.000 1.212 35 G CA -0.780 44.313 45.100 -0.011 0.000 1.238 35 G HN 0.390 nan 8.290 nan 0.000 0.617 36 H N -0.849 118.260 119.070 0.065 0.000 2.690 36 H HA 0.619 5.176 4.556 0.001 0.000 0.368 36 H C -0.354 175.051 175.328 0.130 0.000 1.150 36 H CA -0.715 55.401 56.048 0.112 0.000 1.174 36 H CB 1.944 31.765 29.762 0.099 0.000 1.684 36 H HN 0.462 nan 8.280 nan 0.000 0.538 37 L N 3.502 124.868 121.223 0.237 0.000 2.667 37 L HA -0.007 4.334 4.340 0.001 0.000 0.278 37 L C -0.128 176.896 176.870 0.256 0.000 1.217 37 L CA 0.745 55.732 54.840 0.245 0.000 0.935 37 L CB -0.527 41.668 42.059 0.227 0.000 1.193 37 L HN 0.644 nan 8.230 nan 0.000 0.493 38 H N 4.541 123.706 119.070 0.158 0.000 2.457 38 H HA 0.209 4.766 4.556 0.002 0.000 0.335 38 H C 1.110 176.498 175.328 0.100 0.000 1.115 38 H CA -0.050 56.071 56.048 0.121 0.000 1.219 38 H CB 1.776 31.593 29.762 0.092 0.000 1.471 38 H HN 0.610 nan 8.280 nan 0.000 0.491 39 V N 3.176 123.056 119.914 -0.056 0.000 2.428 39 V HA -0.232 3.889 4.120 0.001 0.000 0.255 39 V C 2.131 178.325 176.094 0.166 0.000 1.080 39 V CA 2.267 64.548 62.300 -0.031 0.000 1.083 39 V CB -1.369 30.197 31.823 -0.428 0.000 0.665 39 V HN 0.783 nan 8.190 nan 0.000 0.461 40 G N 0.404 109.508 108.800 0.506 0.000 2.442 40 G HA2 -0.055 3.906 3.960 0.001 0.000 0.219 40 G HA3 -0.055 3.906 3.960 0.001 0.000 0.219 40 G C 1.487 176.532 174.900 0.241 0.000 1.141 40 G CA 0.888 46.174 45.100 0.310 0.000 0.763 40 G HN 0.838 nan 8.290 nan 0.000 0.554 41 G N 0.520 109.493 108.800 0.287 0.000 2.453 41 G HA2 0.232 4.193 3.960 0.001 0.000 0.215 41 G HA3 0.232 4.193 3.960 0.001 0.000 0.215 41 G C 1.963 176.950 174.900 0.144 0.000 1.147 41 G CA 1.214 46.519 45.100 0.341 0.000 0.802 41 G HN 0.569 nan 8.290 nan 0.000 0.535 42 A N 0.921 123.800 122.820 0.098 0.000 1.933 42 A HA -0.003 4.318 4.320 0.001 0.000 0.218 42 A C 2.274 179.780 177.584 -0.130 0.000 1.175 42 A CA 1.794 53.809 52.037 -0.038 0.000 0.628 42 A CB -0.405 18.613 19.000 0.030 0.000 0.814 42 A HN 0.343 nan 8.150 nan 0.000 0.444 43 R N -0.794 119.670 120.500 -0.062 0.000 2.066 43 R HA -0.106 4.235 4.340 0.001 0.000 0.232 43 R C 2.039 178.244 176.300 -0.158 0.000 1.131 43 R CA 1.969 57.978 56.100 -0.153 0.000 0.955 43 R CB -0.615 29.676 30.300 -0.016 0.000 0.851 43 R HN 0.451 nan 8.270 nan 0.000 0.432 44 T N 0.567 115.156 114.554 0.060 0.000 2.788 44 T HA -0.074 4.277 4.350 0.001 0.000 0.268 44 T C 1.631 176.358 174.700 0.044 0.000 1.044 44 T CA 1.306 63.533 62.100 0.211 0.000 1.139 44 T CB -0.168 68.903 68.868 0.338 0.000 0.867 44 T HN 0.434 nan 8.240 nan 0.000 0.454 45 A N 0.354 122.966 122.820 -0.348 0.000 2.235 45 A HA 0.245 4.566 4.320 0.001 0.000 0.208 45 A C 2.026 179.410 177.584 -0.332 0.000 1.172 45 A CA 0.445 52.087 52.037 -0.659 0.000 0.786 45 A CB -0.389 17.799 19.000 -1.353 0.000 0.804 45 A HN 0.398 nan 8.150 nan 0.000 0.479 46 L N -2.308 118.749 121.223 -0.276 0.000 2.221 46 L HA 0.280 4.621 4.340 0.001 0.000 0.202 46 L C 1.790 178.577 176.870 -0.137 0.000 1.074 46 L CA 1.606 56.273 54.840 -0.288 0.000 0.795 46 L CB -0.644 41.141 42.059 -0.457 0.000 0.960 46 L HN 0.264 nan 8.230 nan 0.000 0.458 47 F N 0.391 120.412 119.950 0.117 0.000 2.234 47 F HA -0.080 4.448 4.527 0.002 0.000 0.299 47 F C 2.137 178.104 175.800 0.278 0.000 1.087 47 F CA 1.179 59.343 58.000 0.274 0.000 1.340 47 F CB -1.149 37.962 39.000 0.186 0.000 1.031 47 F HN 0.234 nan 8.300 nan 0.000 0.500 48 N N -1.179 117.758 118.700 0.394 0.000 2.135 48 N HA -0.179 4.562 4.740 0.001 0.000 0.186 48 N C 1.540 177.226 175.510 0.293 0.000 1.027 48 N CA 1.132 54.455 53.050 0.454 0.000 0.849 48 N CB -0.647 38.157 38.487 0.529 0.000 1.002 48 N HN 0.335 nan 8.380 nan 0.000 0.425 49 W N 1.545 122.676 121.300 -0.282 0.000 2.353 49 W HA -0.068 4.593 4.660 0.001 0.000 0.319 49 W C 2.071 178.479 176.519 -0.185 0.000 1.207 49 W CA 1.487 58.500 57.345 -0.554 0.000 1.291 49 W CB -0.422 28.572 29.460 -0.778 0.000 1.159 49 W HN -0.034 nan 8.180 nan 0.000 0.478 50 M N -0.581 118.989 119.600 -0.050 0.000 2.089 50 M HA -0.256 4.225 4.480 0.001 0.000 0.257 50 M C 2.203 178.449 176.300 -0.090 0.000 1.071 50 M CA 2.171 57.278 55.300 -0.322 0.000 1.096 50 M CB -1.260 30.895 32.600 -0.741 0.000 1.330 50 M HN 0.122 nan 8.290 nan 0.000 0.403 51 F N 1.238 121.294 119.950 0.176 0.000 2.043 51 F HA -0.282 4.247 4.527 0.002 0.000 0.297 51 F C 2.461 178.262 175.800 0.001 0.000 1.121 51 F CA 1.925 60.056 58.000 0.219 0.000 1.199 51 F CB -0.754 38.388 39.000 0.236 0.000 0.968 51 F HN 0.098 nan 8.300 nan 0.000 0.478 52 A N 0.405 123.184 122.820 -0.068 0.000 1.940 52 A HA -0.198 4.123 4.320 0.001 0.000 0.219 52 A C 2.175 179.546 177.584 -0.355 0.000 1.176 52 A CA 1.603 53.510 52.037 -0.217 0.000 0.631 52 A CB -0.605 18.372 19.000 -0.038 0.000 0.814 52 A HN 0.387 nan 8.150 nan 0.000 0.446 53 R N -0.493 119.706 120.500 -0.500 0.000 2.307 53 R HA 0.025 4.366 4.340 0.001 0.000 0.199 53 R C 1.778 177.868 176.300 -0.350 0.000 1.000 53 R CA 1.200 56.976 56.100 -0.539 0.000 1.023 53 R CB -0.335 29.402 30.300 -0.937 0.000 0.908 53 R HN 0.748 nan 8.270 nan 0.000 0.473 54 K N 0.468 120.692 120.400 -0.294 0.000 2.190 54 K HA 0.000 4.321 4.320 0.001 0.000 0.202 54 K C 1.386 177.834 176.600 -0.252 0.000 1.045 54 K CA 0.434 56.603 56.287 -0.196 0.000 0.976 54 K CB 0.453 32.933 32.500 -0.033 0.000 0.849 54 K HN -0.135 nan 8.250 nan 0.000 0.468 55 E N -0.435 119.521 120.200 -0.407 0.000 2.042 55 E HA 0.033 4.384 4.350 0.001 0.000 0.189 55 E C 1.027 177.475 176.600 -0.253 0.000 0.974 55 E CA 1.418 57.595 56.400 -0.373 0.000 0.806 55 E CB 0.491 29.834 29.700 -0.594 0.000 0.769 55 E HN 0.551 nan 8.360 nan 0.000 0.451 56 G N 0.412 109.056 108.800 -0.260 0.000 2.276 56 G HA2 -0.102 3.859 3.960 0.001 0.000 0.177 56 G HA3 -0.102 3.859 3.960 0.001 0.000 0.177 56 G C 0.653 175.479 174.900 -0.123 0.000 1.017 56 G CA 0.088 45.088 45.100 -0.168 0.000 0.750 56 G HN 0.501 nan 8.290 nan 0.000 0.506 57 G N -0.093 108.621 108.800 -0.143 0.000 2.522 57 G HA2 0.466 4.427 3.960 0.001 0.000 0.223 57 G HA3 0.466 4.427 3.960 0.001 0.000 0.223 57 G C -0.150 174.752 174.900 0.003 0.000 1.565 57 G CA 0.177 45.246 45.100 -0.052 0.000 1.053 57 G HN 0.289 nan 8.290 nan 0.000 0.547 58 K N -0.560 119.880 120.400 0.068 0.000 2.601 58 K HA 0.232 4.553 4.320 0.001 0.000 0.249 58 K C -1.787 174.941 176.600 0.214 0.000 0.966 58 K CA -0.655 55.705 56.287 0.120 0.000 0.827 58 K CB 1.907 34.469 32.500 0.104 0.000 1.178 58 K HN 0.308 nan 8.250 nan 0.000 0.437 59 F N 5.076 125.095 119.950 0.114 0.000 2.471 59 F HA 0.359 4.887 4.527 0.001 0.000 0.365 59 F C -0.130 175.803 175.800 0.221 0.000 1.095 59 F CA -0.700 57.423 58.000 0.205 0.000 1.174 59 F CB 0.171 39.355 39.000 0.306 0.000 1.105 59 F HN 0.374 nan 8.300 nan 0.000 0.535 60 I N 6.636 127.033 120.570 -0.289 0.000 2.607 60 I HA 0.298 4.469 4.170 0.001 0.000 0.305 60 I C -1.083 174.657 176.117 -0.628 0.000 0.995 60 I CA -1.271 59.807 61.300 -0.371 0.000 1.148 60 I CB 1.881 39.766 38.000 -0.191 0.000 1.323 60 I HN 0.433 nan 8.210 nan 0.000 0.461 61 L N 6.171 127.025 121.223 -0.615 0.000 2.366 61 L HA 0.459 4.800 4.340 0.001 0.000 0.266 61 L C -0.330 176.246 176.870 -0.490 0.000 1.010 61 L CA -0.101 54.380 54.840 -0.598 0.000 0.879 61 L CB 0.609 42.128 42.059 -0.900 0.000 1.228 61 L HN 0.547 nan 8.230 nan 0.000 0.439 62 R N 4.317 124.653 120.500 -0.274 0.000 2.598 62 R HA 0.644 4.985 4.340 0.001 0.000 0.279 62 R C -1.094 175.132 176.300 -0.124 0.000 0.984 62 R CA -0.796 55.238 56.100 -0.110 0.000 0.999 62 R CB 1.114 31.414 30.300 0.000 0.000 1.114 62 R HN 0.525 nan 8.270 nan 0.000 0.493 63 I N 3.233 123.773 120.570 -0.049 0.000 2.378 63 I HA 0.187 4.358 4.170 0.001 0.000 0.291 63 I C -0.067 176.038 176.117 -0.020 0.000 0.992 63 I CA -0.442 60.819 61.300 -0.065 0.000 1.154 63 I CB 1.857 39.828 38.000 -0.048 0.000 1.315 63 I HN 0.667 nan 8.210 nan 0.000 0.448 64 E N 4.731 124.901 120.200 -0.051 0.000 2.368 64 E HA 0.032 4.383 4.350 0.001 0.000 0.283 64 E C 0.129 176.711 176.600 -0.031 0.000 1.476 64 E CA -0.072 56.316 56.400 -0.020 0.000 1.786 64 E CB -0.068 29.602 29.700 -0.050 0.000 1.518 64 E HN 0.462 nan 8.360 nan 0.000 0.456 65 D N -0.082 120.307 120.400 -0.018 0.000 2.841 65 D HA -0.029 4.612 4.640 0.001 0.000 0.244 65 D C 0.622 176.869 176.300 -0.089 0.000 1.228 65 D CA -0.042 53.931 54.000 -0.046 0.000 0.872 65 D CB 0.014 40.797 40.800 -0.028 0.000 1.082 65 D HN -0.120 nan 8.370 nan 0.000 0.457 66 T N -0.192 114.326 114.554 -0.060 0.000 2.674 66 T HA -0.158 4.192 4.350 0.001 0.000 0.265 66 T C 0.815 175.382 174.700 -0.222 0.000 1.039 66 T CA 0.755 62.813 62.100 -0.070 0.000 1.150 66 T CB -0.142 68.737 68.868 0.018 0.000 0.864 66 T HN 0.317 nan 8.240 nan 0.000 0.427 67 D N 1.957 122.268 120.400 -0.147 0.000 2.424 67 D HA 0.035 4.676 4.640 0.001 0.000 0.244 67 D C 0.859 177.019 176.300 -0.234 0.000 1.134 67 D CA 0.346 54.252 54.000 -0.155 0.000 0.881 67 D CB 1.225 41.978 40.800 -0.078 0.000 1.191 67 D HN 0.340 nan 8.370 nan 0.000 0.445 68 T N 0.109 114.510 114.554 -0.256 0.000 3.134 68 T HA 0.208 4.559 4.350 0.001 0.000 0.260 68 T C 0.654 175.300 174.700 -0.090 0.000 1.027 68 T CA -0.189 61.773 62.100 -0.229 0.000 0.913 68 T CB 0.076 68.774 68.868 -0.283 0.000 1.046 68 T HN 0.451 nan 8.240 nan 0.000 0.553 69 E N 0.189 120.353 120.200 -0.061 0.000 2.758 69 E HA 0.334 4.685 4.350 0.001 0.000 0.215 69 E C 1.288 177.883 176.600 -0.009 0.000 0.985 69 E CA -0.205 56.182 56.400 -0.021 0.000 1.102 69 E CB 0.736 30.427 29.700 -0.014 0.000 1.042 69 E HN 0.319 nan 8.360 nan 0.000 0.480 70 R N -0.297 120.194 120.500 -0.015 0.000 2.658 70 R HA 0.171 4.512 4.340 0.001 0.000 0.223 70 R C -0.406 175.906 176.300 0.020 0.000 0.985 70 R CA 0.244 56.339 56.100 -0.008 0.000 1.290 70 R CB 0.922 31.198 30.300 -0.039 0.000 1.723 70 R HN -0.145 nan 8.270 nan 0.000 0.527 71 S N 1.279 116.981 115.700 0.003 0.000 2.420 71 S HA 0.344 4.815 4.470 0.001 0.000 0.313 71 S C -0.574 174.053 174.600 0.044 0.000 1.079 71 S CA -0.532 57.681 58.200 0.023 0.000 1.104 71 S CB 1.583 64.760 63.200 -0.040 0.000 0.969 71 S HN 0.363 nan 8.310 nan 0.000 0.471 72 S N 3.165 118.938 115.700 0.122 0.000 2.600 72 S HA 0.529 5.000 4.470 0.001 0.000 0.300 72 S C 0.895 175.492 174.600 -0.006 0.000 1.087 72 S CA -1.106 57.121 58.200 0.045 0.000 0.965 72 S CB 1.236 64.453 63.200 0.028 0.000 1.089 72 S HN 0.441 nan 8.310 nan 0.000 0.496 73 R N 1.232 121.706 120.500 -0.044 0.000 2.127 73 R HA -0.092 4.249 4.340 0.001 0.000 0.238 73 R C 1.986 178.226 176.300 -0.099 0.000 1.134 73 R CA 1.745 57.813 56.100 -0.052 0.000 0.975 73 R CB -1.028 29.247 30.300 -0.042 0.000 0.865 73 R HN 0.950 nan 8.270 nan 0.000 0.447 74 E N 0.275 120.360 120.200 -0.192 0.000 2.058 74 E HA -0.191 4.160 4.350 0.001 0.000 0.194 74 E C 0.642 177.048 176.600 -0.325 0.000 0.997 74 E CA 1.133 57.346 56.400 -0.312 0.000 0.801 74 E CB -0.064 29.321 29.700 -0.524 0.000 0.746 74 E HN 0.336 nan 8.360 nan 0.000 0.450 75 Y N 0.424 120.687 120.300 -0.062 0.000 2.465 75 Y HA 0.110 4.661 4.550 0.002 0.000 0.311 75 Y C 1.781 177.579 175.900 -0.171 0.000 1.204 75 Y CA 0.465 58.478 58.100 -0.144 0.000 1.272 75 Y CB -0.039 38.399 38.460 -0.038 0.000 1.083 75 Y HN 0.212 nan 8.280 nan 0.000 0.508 76 E N -0.360 119.819 120.200 -0.036 0.000 2.288 76 E HA -0.117 4.233 4.350 0.001 0.000 0.200 76 E C 1.771 178.343 176.600 -0.047 0.000 0.880 76 E CA 0.213 56.591 56.400 -0.037 0.000 0.971 76 E CB 0.194 29.877 29.700 -0.028 0.000 0.954 76 E HN 0.232 nan 8.360 nan 0.000 0.489 77 Q N 0.618 120.389 119.800 -0.049 0.000 2.291 77 Q HA -0.123 4.218 4.340 0.001 0.000 0.206 77 Q C 1.609 177.595 176.000 -0.022 0.000 0.976 77 Q CA 1.369 57.161 55.803 -0.019 0.000 0.875 77 Q CB 0.123 28.851 28.738 -0.018 0.000 0.927 77 Q HN 0.197 nan 8.270 nan 0.000 0.450 78 Q N -0.910 118.831 119.800 -0.098 0.000 2.444 78 Q HA 0.120 4.461 4.340 0.001 0.000 0.206 78 Q C 1.325 177.273 176.000 -0.086 0.000 0.948 78 Q CA 0.516 56.242 55.803 -0.128 0.000 0.946 78 Q CB 0.547 29.043 28.738 -0.404 0.000 1.027 78 Q HN 0.520 nan 8.270 nan 0.000 0.513 79 I N -1.083 119.462 120.570 -0.041 0.000 3.445 79 I HA -0.064 4.106 4.170 0.001 0.000 0.288 79 I C 1.785 177.976 176.117 0.124 0.000 1.198 79 I CA 0.170 61.499 61.300 0.049 0.000 1.417 79 I CB 0.077 38.103 38.000 0.044 0.000 1.205 79 I HN 0.040 nan 8.210 nan 0.000 0.448 80 L N 1.033 122.319 121.223 0.105 0.000 2.127 80 L HA -0.211 4.130 4.340 0.001 0.000 0.211 80 L C 2.543 179.600 176.870 0.310 0.000 1.089 80 L CA 1.372 56.337 54.840 0.208 0.000 0.757 80 L CB -0.445 41.712 42.059 0.164 0.000 0.899 80 L HN 0.283 nan 8.230 nan 0.000 0.434 81 E N 0.262 120.574 120.200 0.187 0.000 2.046 81 E HA -0.143 4.208 4.350 0.001 0.000 0.190 81 E C 2.192 178.896 176.600 0.173 0.000 0.982 81 E CA 1.671 58.162 56.400 0.152 0.000 0.800 81 E CB -0.104 29.636 29.700 0.066 0.000 0.756 81 E HN 0.221 nan 8.360 nan 0.000 0.449 82 S N 0.622 116.410 115.700 0.147 0.000 2.387 82 S HA -0.156 4.315 4.470 0.001 0.000 0.230 82 S C 1.845 176.610 174.600 0.275 0.000 1.035 82 S CA 1.238 59.547 58.200 0.182 0.000 1.014 82 S CB -0.405 62.891 63.200 0.160 0.000 0.836 82 S HN 0.228 nan 8.310 nan 0.000 0.466 83 L N 0.734 122.120 121.223 0.272 0.000 1.921 83 L HA -0.117 4.224 4.340 0.001 0.000 0.219 83 L C 2.662 179.642 176.870 0.184 0.000 1.081 83 L CA 1.464 56.471 54.840 0.280 0.000 0.771 83 L CB -0.531 41.820 42.059 0.486 0.000 0.888 83 L HN 0.156 nan 8.230 nan 0.000 0.433 84 R N -0.480 120.133 120.500 0.188 0.000 2.211 84 R HA -0.254 4.087 4.340 0.001 0.000 0.240 84 R C 1.850 178.139 176.300 -0.020 0.000 1.144 84 R CA 1.310 57.386 56.100 -0.040 0.000 0.992 84 R CB -0.800 29.412 30.300 -0.147 0.000 0.869 84 R HN 0.506 nan 8.270 nan 0.000 0.462 85 W N -1.211 120.039 121.300 -0.082 0.000 2.525 85 W HA -0.084 4.576 4.660 0.001 0.000 0.259 85 W C 0.869 177.314 176.519 -0.123 0.000 1.253 85 W CA 0.707 57.993 57.345 -0.099 0.000 1.262 85 W CB 0.000 29.411 29.460 -0.082 0.000 1.122 85 W HN 0.074 nan 8.180 nan 0.000 0.607 86 C N 0.310 119.519 119.300 -0.152 0.000 2.791 86 C HA 0.491 4.952 4.460 0.001 0.000 0.270 86 C C 2.010 176.733 174.990 -0.444 0.000 1.257 86 C CA 0.722 59.543 59.018 -0.329 0.000 1.699 86 C CB -0.910 26.733 27.740 -0.163 0.000 1.904 86 C HN 0.648 nan 8.230 nan 0.000 0.603 87 G N 1.011 109.546 108.800 -0.441 0.000 2.195 87 G HA2 -0.242 3.719 3.960 0.001 0.000 0.246 87 G HA3 -0.242 3.719 3.960 0.001 0.000 0.246 87 G C 0.157 174.521 174.900 -0.892 0.000 0.984 87 G CA -0.221 44.547 45.100 -0.554 0.000 0.633 87 G HN 0.524 nan 8.290 nan 0.000 0.525 88 L N 2.823 123.548 121.223 -0.830 0.000 2.400 88 L HA 0.319 4.660 4.340 0.001 0.000 0.262 88 L C 0.137 176.734 176.870 -0.454 0.000 1.309 88 L CA -0.107 54.096 54.840 -1.062 0.000 1.186 88 L CB -0.477 41.250 42.059 -0.553 0.000 1.375 88 L HN 0.399 nan 8.230 nan 0.000 0.433 89 D N 0.245 120.402 120.400 -0.406 0.000 2.312 89 D HA 0.263 4.904 4.640 0.001 0.000 0.252 89 D C -0.288 176.273 176.300 0.436 0.000 1.150 89 D CA -0.624 53.328 54.000 -0.079 0.000 0.870 89 D CB 0.573 41.333 40.800 -0.067 0.000 1.153 89 D HN 0.263 nan 8.370 nan 0.000 0.457 90 W N 1.345 122.902 121.300 0.428 0.000 2.359 90 W HA 0.497 5.158 4.660 0.002 0.000 0.344 90 W C -0.202 176.427 176.519 0.184 0.000 1.170 90 W CA -0.939 56.619 57.345 0.355 0.000 1.296 90 W CB 0.533 29.969 29.460 -0.041 0.000 1.197 90 W HN 0.145 nan 8.180 nan 0.000 0.618 91 D N 0.280 120.901 120.400 0.368 0.000 2.392 91 D HA 0.048 4.689 4.640 0.001 0.000 0.206 91 D C -0.362 176.059 176.300 0.201 0.000 1.046 91 D CA 0.633 54.771 54.000 0.230 0.000 0.865 91 D CB 0.397 41.312 40.800 0.192 0.000 0.969 91 D HN 0.553 nan 8.370 nan 0.000 0.509 92 E N -0.545 119.741 120.200 0.143 0.000 2.335 92 E HA 0.627 4.978 4.350 0.001 0.000 0.280 92 E C -0.341 175.932 176.600 -0.546 0.000 0.918 92 E CA -0.800 55.536 56.400 -0.108 0.000 0.765 92 E CB 2.729 32.351 29.700 -0.131 0.000 1.218 92 E HN 0.070 nan 8.360 nan 0.000 0.425 93 G N 1.641 110.046 108.800 -0.658 0.000 2.341 93 G HA2 0.214 4.175 3.960 0.001 0.000 0.299 93 G HA3 0.214 4.175 3.960 0.001 0.000 0.299 93 G C -2.633 172.218 174.900 -0.083 0.000 1.274 93 G CA -0.734 43.919 45.100 -0.745 0.000 0.853 93 G HN 0.263 nan 8.290 nan 0.000 0.493 94 P HA -0.072 nan 4.420 nan 0.000 0.213 94 P C 1.353 178.733 177.300 0.133 0.000 1.176 94 P CA 2.233 65.387 63.100 0.090 0.000 0.919 94 P CB 0.063 31.757 31.700 -0.010 0.000 0.791 95 D N 0.119 120.604 120.400 0.142 0.000 2.087 95 D HA -0.101 4.540 4.640 0.001 0.000 0.201 95 D C 1.002 177.436 176.300 0.223 0.000 0.980 95 D CA 0.750 54.864 54.000 0.190 0.000 0.849 95 D CB -1.214 39.731 40.800 0.242 0.000 1.001 95 D HN 0.133 nan 8.370 nan 0.000 0.452 96 I N 2.511 123.285 120.570 0.340 0.000 2.691 96 I HA 0.095 4.266 4.170 0.001 0.000 0.288 96 I C 1.459 177.722 176.117 0.245 0.000 1.143 96 I CA -0.247 61.230 61.300 0.295 0.000 1.364 96 I CB 0.042 38.280 38.000 0.396 0.000 1.435 96 I HN 0.050 nan 8.210 nan 0.000 0.551 97 G N 4.644 113.562 108.800 0.197 0.000 2.771 97 G HA2 0.387 4.348 3.960 0.001 0.000 0.242 97 G HA3 0.387 4.348 3.960 0.001 0.000 0.242 97 G C 0.179 175.226 174.900 0.246 0.000 1.233 97 G CA 0.169 45.398 45.100 0.216 0.000 0.858 97 G HN 0.827 nan 8.290 nan 0.000 0.591 98 G N -1.372 107.615 108.800 0.312 0.000 2.660 98 G HA2 0.469 4.430 3.960 0.001 0.000 0.290 98 G HA3 0.469 4.430 3.960 0.001 0.000 0.290 98 G C -0.609 174.393 174.900 0.170 0.000 1.432 98 G CA -0.503 44.783 45.100 0.310 0.000 0.807 98 G HN 0.354 nan 8.290 nan 0.000 0.485 99 D N 0.089 120.518 120.400 0.048 0.000 2.538 99 D HA 0.213 4.854 4.640 0.001 0.000 0.234 99 D C -0.439 175.483 176.300 -0.631 0.000 1.191 99 D CA 0.386 54.221 54.000 -0.276 0.000 0.828 99 D CB 0.181 40.750 40.800 -0.385 0.000 0.981 99 D HN 0.155 nan 8.370 nan 0.000 0.490 100 F N -0.129 119.852 119.950 0.052 0.000 2.548 100 F HA 0.280 4.808 4.527 0.002 0.000 0.379 100 F C 0.919 176.543 175.800 -0.293 0.000 1.380 100 F CA -0.747 57.239 58.000 -0.024 0.000 1.095 100 F CB 0.908 39.962 39.000 0.090 0.000 1.270 100 F HN -0.157 nan 8.300 nan 0.000 0.509 101 G N -0.038 108.471 108.800 -0.485 0.000 3.107 101 G HA2 0.658 4.619 3.960 0.001 0.000 0.232 101 G HA3 0.658 4.619 3.960 0.001 0.000 0.232 101 G C -2.407 172.223 174.900 -0.450 0.000 1.339 101 G CA -1.446 43.058 45.100 -0.992 0.000 1.033 101 G HN -0.116 nan 8.290 nan 0.000 0.567 102 P HA 0.208 nan 4.420 nan 0.000 0.270 102 P C -1.198 175.792 177.300 -0.517 0.000 1.227 102 P CA 0.125 62.981 63.100 -0.407 0.000 0.788 102 P CB 0.252 31.852 31.700 -0.166 0.000 0.926 103 Y N 0.535 120.836 120.300 0.000 0.000 2.724 103 Y HA 0.372 4.922 4.550 0.001 0.000 0.370 103 Y C 0.465 176.361 175.900 -0.007 0.000 0.978 103 Y CA -0.212 57.880 58.100 -0.013 0.000 1.443 103 Y CB 0.136 38.565 38.460 -0.051 0.000 1.386 103 Y HN -0.081 nan 8.280 nan 0.000 0.557 104 R N 0.701 121.261 120.500 0.100 0.000 2.512 104 R HA 0.218 4.559 4.340 0.001 0.000 0.291 104 R C 0.434 176.835 176.300 0.167 0.000 1.097 104 R CA -0.445 55.719 56.100 0.108 0.000 0.940 104 R CB 1.810 32.159 30.300 0.082 0.000 1.198 104 R HN 0.317 nan 8.270 nan 0.000 0.429 105 Q N 0.556 120.483 119.800 0.211 0.000 2.112 105 Q HA -0.155 4.186 4.340 0.001 0.000 0.206 105 Q C 1.482 177.761 176.000 0.465 0.000 0.987 105 Q CA 2.393 58.417 55.803 0.368 0.000 0.858 105 Q CB -0.100 28.758 28.738 0.201 0.000 0.905 105 Q HN 0.699 nan 8.270 nan 0.000 0.420 106 S N 0.441 116.347 115.700 0.344 0.000 2.402 106 S HA -0.089 4.382 4.470 0.001 0.000 0.229 106 S C 1.269 176.047 174.600 0.297 0.000 1.021 106 S CA 0.668 59.157 58.200 0.482 0.000 0.974 106 S CB -0.124 63.272 63.200 0.328 0.000 0.800 106 S HN 0.382 nan 8.310 nan 0.000 0.484 107 E N 0.872 121.177 120.200 0.175 0.000 2.335 107 E HA 0.223 4.574 4.350 0.001 0.000 0.191 107 E C 0.285 176.887 176.600 0.003 0.000 1.077 107 E CA -0.132 56.313 56.400 0.075 0.000 1.010 107 E CB 0.105 29.829 29.700 0.040 0.000 1.141 107 E HN 0.512 nan 8.360 nan 0.000 0.452 108 R N -0.184 120.320 120.500 0.007 0.000 2.534 108 R HA 0.196 4.537 4.340 0.001 0.000 0.438 108 R C 1.317 177.440 176.300 -0.294 0.000 0.913 108 R CA -0.081 55.869 56.100 -0.250 0.000 1.130 108 R CB 0.323 30.329 30.300 -0.489 0.000 1.611 108 R HN 0.087 nan 8.270 nan 0.000 0.571 109 L N 1.134 122.348 121.223 -0.017 0.000 1.978 109 L HA -0.268 4.073 4.340 0.001 0.000 0.218 109 L C 1.902 178.766 176.870 -0.011 0.000 1.075 109 L CA 1.938 56.796 54.840 0.031 0.000 0.767 109 L CB -0.351 41.669 42.059 -0.067 0.000 0.890 109 L HN 0.302 nan 8.230 nan 0.000 0.434 110 E N 0.115 120.280 120.200 -0.059 0.000 2.097 110 E HA -0.248 4.103 4.350 0.001 0.000 0.196 110 E C 2.147 178.708 176.600 -0.065 0.000 1.000 110 E CA 1.489 57.858 56.400 -0.053 0.000 0.804 110 E CB -0.208 29.454 29.700 -0.063 0.000 0.740 110 E HN 0.480 nan 8.360 nan 0.000 0.454 111 I N 0.397 120.874 120.570 -0.154 0.000 2.045 111 I HA -0.321 3.850 4.170 0.001 0.000 0.233 111 I C 2.226 178.381 176.117 0.064 0.000 1.048 111 I CA 1.450 62.666 61.300 -0.140 0.000 1.313 111 I CB -0.681 37.111 38.000 -0.346 0.000 1.043 111 I HN 0.109 nan 8.210 nan 0.000 0.393 112 Y N 0.680 121.112 120.300 0.219 0.000 2.283 112 Y HA -0.289 4.262 4.550 0.002 0.000 0.285 112 Y C 2.607 178.735 175.900 0.379 0.000 1.176 112 Y CA 1.253 59.542 58.100 0.316 0.000 1.229 112 Y CB -1.032 37.570 38.460 0.237 0.000 0.975 112 Y HN 0.141 nan 8.280 nan 0.000 0.537 113 R N 0.776 121.470 120.500 0.323 0.000 2.070 113 R HA -0.131 4.210 4.340 0.001 0.000 0.233 113 R C 2.016 178.417 176.300 0.169 0.000 1.137 113 R CA 1.857 58.086 56.100 0.216 0.000 0.945 113 R CB -0.416 29.946 30.300 0.103 0.000 0.845 113 R HN 0.466 nan 8.270 nan 0.000 0.430 114 E N -1.062 119.174 120.200 0.060 0.000 2.012 114 E HA -0.239 4.112 4.350 0.001 0.000 0.197 114 E C 2.017 178.646 176.600 0.049 0.000 1.007 114 E CA 1.813 58.183 56.400 -0.051 0.000 0.816 114 E CB -0.392 29.141 29.700 -0.278 0.000 0.762 114 E HN 0.369 nan 8.360 nan 0.000 0.451 115 Y N 0.529 120.997 120.300 0.280 0.000 2.241 115 Y HA -0.239 4.312 4.550 0.001 0.000 0.286 115 Y C 2.341 178.567 175.900 0.544 0.000 1.166 115 Y CA 1.121 59.480 58.100 0.432 0.000 1.203 115 Y CB -0.642 38.023 38.460 0.341 0.000 0.977 115 Y HN 0.093 nan 8.280 nan 0.000 0.529 116 A N -0.332 122.809 122.820 0.534 0.000 2.014 116 A HA -0.095 4.226 4.320 0.001 0.000 0.218 116 A C 2.079 179.714 177.584 0.085 0.000 1.163 116 A CA 1.300 53.440 52.037 0.172 0.000 0.652 116 A CB -0.229 18.823 19.000 0.087 0.000 0.808 116 A HN 0.306 nan 8.150 nan 0.000 0.449 117 E N 0.320 120.602 120.200 0.136 0.000 2.170 117 E HA -0.061 4.290 4.350 0.001 0.000 0.191 117 E C 1.677 178.317 176.600 0.066 0.000 0.981 117 E CA 0.756 57.204 56.400 0.081 0.000 0.830 117 E CB -0.224 29.522 29.700 0.076 0.000 0.775 117 E HN 0.632 nan 8.360 nan 0.000 0.470 118 K N 0.549 121.027 120.400 0.130 0.000 2.283 118 K HA -0.015 4.306 4.320 0.001 0.000 0.202 118 K C 2.205 178.831 176.600 0.044 0.000 1.048 118 K CA 0.575 56.937 56.287 0.126 0.000 0.948 118 K CB 0.060 32.718 32.500 0.265 0.000 0.742 118 K HN 0.079 nan 8.250 nan 0.000 0.458 119 L N 0.024 121.254 121.223 0.012 0.000 2.071 119 L HA -0.112 4.229 4.340 0.001 0.000 0.201 119 L C 2.278 179.097 176.870 -0.085 0.000 1.076 119 L CA 0.630 55.407 54.840 -0.105 0.000 0.755 119 L CB -0.494 41.485 42.059 -0.134 0.000 0.915 119 L HN -0.089 nan 8.230 nan 0.000 0.445 120 V N -0.695 119.156 119.914 -0.105 0.000 2.392 120 V HA -0.205 3.915 4.120 0.001 0.000 0.249 120 V C 1.307 177.377 176.094 -0.040 0.000 1.059 120 V CA 1.358 63.581 62.300 -0.127 0.000 1.051 120 V CB -0.505 31.058 31.823 -0.433 0.000 0.658 120 V HN 0.376 nan 8.190 nan 0.000 0.455 121 E N 0.451 120.631 120.200 -0.034 0.000 2.422 121 E HA 0.190 4.541 4.350 0.001 0.000 0.267 121 E C -0.166 176.406 176.600 -0.047 0.000 1.466 121 E CA 0.293 56.686 56.400 -0.011 0.000 1.767 121 E CB 0.135 29.848 29.700 0.021 0.000 1.471 121 E HN 0.661 nan 8.360 nan 0.000 0.446 122 D N -0.059 120.284 120.400 -0.095 0.000 3.333 122 D HA 0.015 4.656 4.640 0.001 0.000 0.281 122 D C -0.323 175.868 176.300 -0.180 0.000 1.578 122 D CA -0.147 53.781 54.000 -0.121 0.000 0.857 122 D CB -0.184 40.563 40.800 -0.088 0.000 1.603 122 D HN -0.048 nan 8.370 nan 0.000 0.508 123 K N -0.015 120.216 120.400 -0.281 0.000 2.971 123 K HA -0.278 4.043 4.320 0.001 0.000 0.265 123 K C 0.915 177.423 176.600 -0.154 0.000 1.052 123 K CA 0.941 56.996 56.287 -0.388 0.000 0.780 123 K CB -0.673 31.560 32.500 -0.446 0.000 1.214 123 K HN 0.404 nan 8.250 nan 0.000 0.478 124 R N -0.786 119.645 120.500 -0.115 0.000 2.308 124 R HA 0.267 4.608 4.340 0.001 0.000 0.202 124 R C 0.574 176.789 176.300 -0.141 0.000 0.898 124 R CA 0.662 56.665 56.100 -0.162 0.000 1.046 124 R CB 0.899 31.094 30.300 -0.175 0.000 1.026 124 R HN 0.249 nan 8.270 nan 0.000 0.512 125 A N 0.126 122.949 122.820 0.005 0.000 2.568 125 A HA 0.655 4.976 4.320 0.001 0.000 0.291 125 A C -1.793 175.895 177.584 0.173 0.000 1.159 125 A CA -0.788 51.260 52.037 0.018 0.000 0.679 125 A CB 1.085 20.002 19.000 -0.138 0.000 1.285 125 A HN 0.162 nan 8.150 nan 0.000 0.428 126 Y N -3.249 116.896 120.300 -0.259 0.000 2.689 126 Y HA 0.761 5.312 4.550 0.001 0.000 0.333 126 Y C -1.587 174.076 175.900 -0.395 0.000 1.208 126 Y CA -1.827 56.046 58.100 -0.378 0.000 1.055 126 Y CB 0.156 38.316 38.460 -0.501 0.000 1.304 126 Y HN 0.622 nan 8.280 nan 0.000 0.455 127 Y N 0.315 120.574 120.300 -0.068 0.000 2.354 127 Y HA 0.659 5.211 4.550 0.002 0.000 0.322 127 Y C -0.274 175.495 175.900 -0.220 0.000 1.253 127 Y CA -1.367 56.638 58.100 -0.158 0.000 1.272 127 Y CB 1.621 40.028 38.460 -0.089 0.000 1.255 127 Y HN 0.480 nan 8.280 nan 0.000 0.500 128 V N 2.831 122.643 119.914 -0.171 0.000 2.447 128 V HA 0.291 4.411 4.120 0.001 0.000 0.292 128 V C -0.703 174.866 176.094 -0.875 0.000 1.021 128 V CA -0.970 61.046 62.300 -0.473 0.000 0.850 128 V CB 1.221 32.765 31.823 -0.464 0.000 1.005 128 V HN 0.516 nan 8.190 nan 0.000 0.426 129 V N 5.480 124.805 119.914 -0.981 0.000 2.583 129 V HA 0.438 4.559 4.120 0.001 0.000 0.287 129 V C -0.566 174.894 176.094 -1.058 0.000 1.051 129 V CA -0.270 61.403 62.300 -1.045 0.000 1.010 129 V CB 0.919 31.853 31.823 -1.481 0.000 0.988 129 V HN 0.715 nan 8.190 nan 0.000 0.478 130 Y N 1.475 121.587 120.300 -0.314 0.000 2.524 130 Y HA 0.457 5.008 4.550 0.001 0.000 0.344 130 Y C 0.368 176.219 175.900 -0.082 0.000 1.012 130 Y CA -1.241 56.749 58.100 -0.183 0.000 1.068 130 Y CB 1.132 39.540 38.460 -0.086 0.000 1.249 130 Y HN 0.695 nan 8.280 nan 0.000 0.468 131 D N 0.448 120.929 120.400 0.134 0.000 2.274 131 D HA 0.063 4.704 4.640 0.001 0.000 0.256 131 D C 0.755 177.230 176.300 0.293 0.000 1.274 131 D CA 0.391 54.503 54.000 0.188 0.000 0.998 131 D CB 0.656 41.522 40.800 0.110 0.000 1.139 131 D HN 0.610 nan 8.370 nan 0.000 0.540 132 K N -0.996 119.536 120.400 0.219 0.000 2.464 132 K HA 0.083 4.404 4.320 0.001 0.000 0.206 132 K C 1.110 177.745 176.600 0.057 0.000 1.186 132 K CA -0.190 56.156 56.287 0.098 0.000 0.990 132 K CB 0.372 32.872 32.500 0.001 0.000 1.003 132 K HN 0.232 nan 8.250 nan 0.000 0.562 133 E N 1.158 121.399 120.200 0.067 0.000 2.042 133 E HA -0.062 4.289 4.350 0.001 0.000 0.189 133 E C 0.148 176.767 176.600 0.031 0.000 0.974 133 E CA 0.858 57.283 56.400 0.042 0.000 0.806 133 E CB 0.016 29.743 29.700 0.045 0.000 0.769 133 E HN 0.273 nan 8.360 nan 0.000 0.451 134 D N 0.138 120.559 120.400 0.035 0.000 2.177 134 D HA 0.102 4.742 4.640 0.001 0.000 0.247 134 D C -1.789 174.515 176.300 0.007 0.000 1.063 134 D CA -2.159 51.852 54.000 0.019 0.000 0.867 134 D CB 2.063 42.875 40.800 0.020 0.000 1.168 134 D HN -0.287 nan 8.370 nan 0.000 0.445 135 P HA -0.151 nan 4.420 nan 0.000 0.214 135 P C 0.137 177.379 177.300 -0.097 0.000 1.172 135 P CA 1.466 64.539 63.100 -0.045 0.000 0.925 135 P CB 0.127 31.800 31.700 -0.045 0.000 0.793 136 S N -1.541 114.098 115.700 -0.102 0.000 2.252 136 S HA 0.356 4.827 4.470 0.001 0.000 0.180 136 S C -0.138 174.439 174.600 -0.038 0.000 1.534 136 S CA -0.690 57.407 58.200 -0.172 0.000 1.141 136 S CB -0.167 62.925 63.200 -0.180 0.000 1.122 136 S HN -0.033 nan 8.310 nan 0.000 0.475 137 K N 2.170 122.597 120.400 0.044 0.000 2.533 137 K HA 0.193 4.514 4.320 0.001 0.000 0.207 137 K C -0.053 176.645 176.600 0.164 0.000 1.052 137 K CA -0.259 56.080 56.287 0.087 0.000 1.030 137 K CB 0.404 32.939 32.500 0.059 0.000 1.522 137 K HN 0.730 nan 8.250 nan 0.000 0.543 138 E N 2.703 123.053 120.200 0.250 0.000 2.708 138 E HA -0.144 4.207 4.350 0.001 0.000 0.260 138 E C 0.184 176.751 176.600 -0.056 0.000 0.937 138 E CA 0.215 56.709 56.400 0.158 0.000 0.953 138 E CB 0.570 30.348 29.700 0.129 0.000 0.915 138 E HN 0.592 nan 8.360 nan 0.000 0.487 139 L N 4.617 125.675 121.223 -0.274 0.000 2.262 139 L HA 0.227 4.568 4.340 0.001 0.000 0.197 139 L C 0.230 177.005 176.870 -0.159 0.000 1.073 139 L CA 0.152 54.830 54.840 -0.271 0.000 0.800 139 L CB 0.086 41.834 42.059 -0.518 0.000 0.987 139 L HN 0.589 nan 8.230 nan 0.000 0.470 140 F N -2.424 117.369 119.950 -0.261 0.000 2.770 140 F HA 0.484 5.012 4.527 0.001 0.000 0.313 140 F C -0.555 175.106 175.800 -0.231 0.000 1.154 140 F CA -1.452 56.413 58.000 -0.224 0.000 0.923 140 F CB 0.365 39.227 39.000 -0.229 0.000 1.301 140 F HN -0.146 nan 8.300 nan 0.000 0.449 141 T N -1.029 113.613 114.554 0.147 0.000 2.927 141 T HA 0.792 5.143 4.350 0.001 0.000 0.281 141 T C -0.480 174.275 174.700 0.092 0.000 0.998 141 T CA -0.058 62.091 62.100 0.081 0.000 1.019 141 T CB 1.791 70.620 68.868 -0.066 0.000 1.061 141 T HN 1.371 nan 8.240 nan 0.000 0.518 142 T N -0.325 114.231 114.554 0.004 0.000 2.770 142 T HA 0.393 4.744 4.350 0.001 0.000 0.323 142 T C -1.073 173.560 174.700 -0.112 0.000 1.683 142 T CA -0.625 61.434 62.100 -0.069 0.000 1.024 142 T CB 0.744 69.707 68.868 0.158 0.000 1.557 142 T HN 0.596 nan 8.240 nan 0.000 0.494 143 Y N 0.421 120.805 120.300 0.139 0.000 2.522 143 Y HA 0.406 4.956 4.550 0.001 0.000 0.277 143 Y C 1.472 177.509 175.900 0.230 0.000 1.104 143 Y CA -0.204 57.956 58.100 0.099 0.000 1.260 143 Y CB 0.267 38.744 38.460 0.027 0.000 1.151 143 Y HN 0.453 nan 8.280 nan 0.000 0.539 144 E N 0.342 120.760 120.200 0.364 0.000 2.408 144 E HA -0.081 4.270 4.350 0.001 0.000 0.259 144 E C -1.117 175.688 176.600 0.342 0.000 1.110 144 E CA -0.248 56.336 56.400 0.306 0.000 0.929 144 E CB 0.408 30.222 29.700 0.191 0.000 0.971 144 E HN 0.146 nan 8.360 nan 0.000 0.438 145 Y N 3.487 123.796 120.300 0.016 0.000 2.436 145 Y HA 0.138 4.689 4.550 0.001 0.000 0.343 145 Y C -1.835 173.774 175.900 -0.484 0.000 1.008 145 Y CA -2.653 55.255 58.100 -0.319 0.000 1.241 145 Y CB 0.694 38.968 38.460 -0.311 0.000 1.153 145 Y HN 0.166 nan 8.280 nan 0.000 0.521 146 P HA 0.015 nan 4.420 nan 0.000 0.267 146 P C -0.026 176.986 177.300 -0.481 0.000 1.328 146 P CA 0.512 63.373 63.100 -0.398 0.000 0.990 146 P CB 0.427 31.958 31.700 -0.282 0.000 1.168 147 H N 3.563 122.575 119.070 -0.097 0.000 2.260 147 H HA -0.103 4.454 4.556 0.002 0.000 0.304 147 H C 1.967 177.267 175.328 -0.047 0.000 1.059 147 H CA 1.620 57.636 56.048 -0.053 0.000 1.305 147 H CB -0.420 29.358 29.762 0.028 0.000 1.388 147 H HN 0.465 nan 8.280 nan 0.000 0.496 148 E N 1.383 121.633 120.200 0.083 0.000 2.047 148 E HA -0.187 4.164 4.350 0.001 0.000 0.191 148 E C 2.111 178.701 176.600 -0.018 0.000 0.987 148 E CA 0.967 57.350 56.400 -0.028 0.000 0.799 148 E CB -1.107 28.509 29.700 -0.140 0.000 0.752 148 E HN 0.395 nan 8.360 nan 0.000 0.449 149 Y N 1.626 121.964 120.300 0.063 0.000 2.151 149 Y HA -0.196 4.355 4.550 0.002 0.000 0.284 149 Y C 2.593 178.560 175.900 0.111 0.000 1.166 149 Y CA 2.015 60.190 58.100 0.124 0.000 1.163 149 Y CB -0.510 37.964 38.460 0.023 0.000 0.974 149 Y HN 0.102 nan 8.280 nan 0.000 0.511 150 K N 0.568 121.036 120.400 0.113 0.000 2.103 150 K HA -0.073 4.248 4.320 0.001 0.000 0.204 150 K C 0.699 177.310 176.600 0.017 0.000 1.052 150 K CA 1.164 57.461 56.287 0.016 0.000 0.945 150 K CB -0.065 32.363 32.500 -0.121 0.000 0.722 150 K HN 0.029 nan 8.250 nan 0.000 0.443 151 E N 0.906 121.119 120.200 0.021 0.000 2.351 151 E HA 0.047 4.398 4.350 0.001 0.000 0.236 151 E C -0.175 176.416 176.600 -0.014 0.000 1.341 151 E CA 0.224 56.627 56.400 0.004 0.000 1.579 151 E CB 0.229 29.936 29.700 0.012 0.000 1.393 151 E HN 0.288 nan 8.360 nan 0.000 0.438 152 K N -1.318 119.059 120.400 -0.039 0.000 2.608 152 K HA 0.168 4.489 4.320 0.001 0.000 0.209 152 K C 0.583 177.008 176.600 -0.292 0.000 1.369 152 K CA 0.329 56.546 56.287 -0.117 0.000 1.029 152 K CB 1.646 34.124 32.500 -0.036 0.000 1.139 152 K HN 0.177 nan 8.250 nan 0.000 0.623 153 G N 2.379 111.044 108.800 -0.225 0.000 2.207 153 G HA2 -0.171 3.790 3.960 0.001 0.000 0.216 153 G HA3 -0.171 3.790 3.960 0.001 0.000 0.216 153 G C -0.829 173.906 174.900 -0.276 0.000 1.053 153 G CA -0.458 44.510 45.100 -0.220 0.000 0.764 153 G HN 0.281 nan 8.290 nan 0.000 0.495 154 H N 0.126 119.214 119.070 0.031 0.000 2.595 154 H HA 0.375 4.932 4.556 0.002 0.000 0.313 154 H C -2.437 172.903 175.328 0.019 0.000 1.023 154 H CA -1.995 54.070 56.048 0.027 0.000 1.218 154 H CB 1.671 31.447 29.762 0.023 0.000 1.403 154 H HN 0.116 nan 8.280 nan 0.000 0.477 155 P HA -0.017 nan 4.420 nan 0.000 0.266 155 P C -0.467 176.963 177.300 0.216 0.000 1.195 155 P CA 0.001 63.216 63.100 0.191 0.000 0.768 155 P CB 0.838 32.654 31.700 0.194 0.000 0.838 156 V N 3.081 123.062 119.914 0.113 0.000 2.447 156 V HA 0.392 4.513 4.120 0.001 0.000 0.292 156 V C 0.470 176.623 176.094 0.098 0.000 1.021 156 V CA -0.423 61.880 62.300 0.005 0.000 0.850 156 V CB 1.475 33.208 31.823 -0.151 0.000 1.005 156 V HN 0.660 nan 8.190 nan 0.000 0.426 157 T N 2.815 117.459 114.554 0.150 0.000 2.870 157 T HA 0.863 5.214 4.350 0.001 0.000 0.277 157 T C -0.465 174.257 174.700 0.036 0.000 1.000 157 T CA -0.809 61.374 62.100 0.137 0.000 0.982 157 T CB 2.042 71.037 68.868 0.212 0.000 1.249 157 T HN 0.315 nan 8.240 nan 0.000 0.589 158 I N 0.293 120.823 120.570 -0.066 0.000 2.647 158 I HA 0.496 4.667 4.170 0.001 0.000 0.295 158 I C -0.356 175.520 176.117 -0.402 0.000 1.078 158 I CA -1.045 60.102 61.300 -0.256 0.000 1.048 158 I CB 2.460 40.327 38.000 -0.222 0.000 1.239 158 I HN 0.576 nan 8.210 nan 0.000 0.421 159 K N 3.757 123.746 120.400 -0.684 0.000 2.350 159 K HA 0.552 4.873 4.320 0.001 0.000 0.241 159 K C -1.429 174.840 176.600 -0.552 0.000 0.994 159 K CA -0.795 55.103 56.287 -0.648 0.000 0.839 159 K CB 2.630 34.717 32.500 -0.687 0.000 1.244 159 K HN 0.316 nan 8.250 nan 0.000 0.443 160 F N 1.867 121.447 119.950 -0.617 0.000 2.415 160 F HA 0.273 4.801 4.527 0.001 0.000 0.348 160 F C -0.199 175.539 175.800 -0.103 0.000 1.119 160 F CA -0.802 56.931 58.000 -0.445 0.000 1.069 160 F CB 0.960 39.520 39.000 -0.733 0.000 1.124 160 F HN 0.235 nan 8.300 nan 0.000 0.472 161 K N 5.833 125.864 120.400 -0.614 0.000 2.165 161 K HA 0.200 4.521 4.320 0.001 0.000 0.270 161 K C -0.670 175.594 176.600 -0.560 0.000 1.091 161 K CA -0.169 55.876 56.287 -0.405 0.000 1.019 161 K CB 0.176 32.494 32.500 -0.303 0.000 1.101 161 K HN 0.396 nan 8.250 nan 0.000 0.397 162 V N 6.321 126.123 119.914 -0.186 0.000 2.390 162 V HA 0.009 4.130 4.120 0.001 0.000 0.260 162 V C 0.627 176.699 176.094 -0.037 0.000 1.043 162 V CA 0.017 62.309 62.300 -0.013 0.000 1.047 162 V CB -0.601 31.319 31.823 0.163 0.000 1.066 162 V HN 0.568 nan 8.190 nan 0.000 0.481 163 L N 7.824 129.009 121.223 -0.063 0.000 2.466 163 L HA 0.404 4.745 4.340 0.001 0.000 0.257 163 L C -1.433 175.445 176.870 0.014 0.000 1.189 163 L CA -1.667 53.150 54.840 -0.038 0.000 0.813 163 L CB 0.546 42.574 42.059 -0.052 0.000 1.118 163 L HN 0.385 nan 8.230 nan 0.000 0.471 164 P HA 0.259 nan 4.420 nan 0.000 0.274 164 P C -0.144 177.181 177.300 0.043 0.000 1.264 164 P CA 0.117 63.233 63.100 0.027 0.000 0.795 164 P CB 0.726 32.435 31.700 0.016 0.000 1.064 165 G N -0.530 108.299 108.800 0.049 0.000 2.381 165 G HA2 -0.020 3.941 3.960 0.001 0.000 0.672 165 G HA3 -0.020 3.941 3.960 0.001 0.000 0.672 165 G C -1.549 173.397 174.900 0.076 0.000 1.324 165 G CA -0.852 44.284 45.100 0.061 0.000 0.975 165 G HN 0.526 nan 8.290 nan 0.000 0.593 166 K N 1.046 121.497 120.400 0.084 0.000 2.347 166 K HA 0.481 4.802 4.320 0.001 0.000 0.262 166 K C -0.109 176.566 176.600 0.124 0.000 1.052 166 K CA -0.468 55.875 56.287 0.094 0.000 0.946 166 K CB 1.266 33.813 32.500 0.077 0.000 1.220 166 K HN 0.475 nan 8.250 nan 0.000 0.450 167 T N 2.307 116.957 114.554 0.160 0.000 2.817 167 T HA 0.095 4.446 4.350 0.001 0.000 0.295 167 T C 0.148 174.982 174.700 0.223 0.000 0.958 167 T CA -0.066 62.159 62.100 0.210 0.000 1.157 167 T CB 0.218 69.216 68.868 0.217 0.000 0.898 167 T HN 0.649 nan 8.240 nan 0.000 0.536 168 S N 2.694 118.512 115.700 0.196 0.000 2.564 168 S HA 0.884 5.355 4.470 0.001 0.000 0.274 168 S C -1.039 173.688 174.600 0.212 0.000 1.124 168 S CA -1.146 57.074 58.200 0.034 0.000 0.869 168 S CB 1.702 64.905 63.200 0.005 0.000 1.105 168 S HN 0.700 nan 8.310 nan 0.000 0.472 169 F N -1.307 118.692 119.950 0.081 0.000 2.713 169 F HA 0.826 5.355 4.527 0.004 0.000 0.311 169 F C -1.025 174.872 175.800 0.162 0.000 1.141 169 F CA -1.062 57.035 58.000 0.161 0.000 0.939 169 F CB 1.139 40.248 39.000 0.182 0.000 1.325 169 F HN 0.596 nan 8.300 nan 0.000 0.453 170 E N 1.777 122.269 120.200 0.487 0.000 2.042 170 E HA 0.222 4.573 4.350 0.001 0.000 0.260 170 E C -1.338 175.536 176.600 0.456 0.000 0.975 170 E CA -0.217 56.398 56.400 0.358 0.000 0.799 170 E CB 0.175 30.032 29.700 0.262 0.000 1.131 170 E HN 0.633 nan 8.360 nan 0.000 0.423 171 D N 3.253 123.953 120.400 0.500 0.000 2.417 171 D HA -0.065 4.576 4.640 0.001 0.000 0.250 171 D C 0.963 177.448 176.300 0.309 0.000 1.166 171 D CA -0.140 54.175 54.000 0.525 0.000 0.881 171 D CB 0.699 41.823 40.800 0.540 0.000 1.164 171 D HN 0.444 nan 8.370 nan 0.000 0.467 172 L N 4.084 125.476 121.223 0.282 0.000 2.450 172 L HA -0.058 4.283 4.340 0.001 0.000 0.225 172 L C 1.104 178.050 176.870 0.127 0.000 1.145 172 L CA 1.587 56.541 54.840 0.189 0.000 0.801 172 L CB -0.364 41.823 42.059 0.213 0.000 0.924 172 L HN 0.724 nan 8.230 nan 0.000 0.447 173 L N -2.999 118.314 121.223 0.149 0.000 2.738 173 L HA 0.120 4.460 4.340 0.001 0.000 0.175 173 L C 2.237 179.159 176.870 0.087 0.000 1.125 173 L CA -0.153 54.736 54.840 0.082 0.000 0.857 173 L CB -0.331 41.767 42.059 0.064 0.000 1.300 173 L HN -0.150 nan 8.230 nan 0.000 0.499 174 K N 0.959 121.434 120.400 0.125 0.000 1.987 174 K HA 0.076 4.397 4.320 0.001 0.000 0.216 174 K C 0.934 177.567 176.600 0.056 0.000 1.051 174 K CA 1.379 57.714 56.287 0.080 0.000 0.942 174 K CB -0.744 31.808 32.500 0.086 0.000 0.722 174 K HN 0.612 nan 8.250 nan 0.000 0.444 175 G N -0.864 107.983 108.800 0.079 0.000 2.293 175 G HA2 -0.154 3.807 3.960 0.001 0.000 0.282 175 G HA3 -0.154 3.807 3.960 0.001 0.000 0.282 175 G C -1.499 173.426 174.900 0.041 0.000 1.299 175 G CA -0.355 44.789 45.100 0.073 0.000 1.018 175 G HN 0.166 nan 8.290 nan 0.000 0.478 176 Y N 2.295 122.553 120.300 -0.070 0.000 2.770 176 Y HA 0.502 5.051 4.550 -0.002 0.000 0.342 176 Y C 0.689 176.424 175.900 -0.275 0.000 1.221 176 Y CA -0.188 57.833 58.100 -0.133 0.000 1.560 176 Y CB 0.174 38.577 38.460 -0.095 0.000 1.213 176 Y HN 0.399 nan 8.280 nan 0.000 0.525 177 M N 5.853 124.859 119.600 -0.990 0.000 2.157 177 M HA 0.184 4.665 4.480 0.001 0.000 0.354 177 M C -0.533 174.948 176.300 -1.365 0.000 1.170 177 M CA -0.539 54.040 55.300 -1.201 0.000 1.060 177 M CB 1.083 32.787 32.600 -1.492 0.000 1.615 177 M HN 0.665 nan 8.290 nan 0.000 0.460 178 E N 3.164 122.621 120.200 -1.238 0.000 2.133 178 E HA 0.653 5.004 4.350 0.001 0.000 0.274 178 E C -1.942 174.125 176.600 -0.887 0.000 0.930 178 E CA -0.070 55.812 56.400 -0.864 0.000 0.770 178 E CB 0.774 30.158 29.700 -0.527 0.000 1.104 178 E HN 0.338 nan 8.360 nan 0.000 0.403 179 F N 1.897 121.733 119.950 -0.189 0.000 2.599 179 F HA 0.392 4.920 4.527 0.001 0.000 0.311 179 F C -0.428 175.347 175.800 -0.042 0.000 1.076 179 F CA -1.048 56.892 58.000 -0.100 0.000 0.937 179 F CB 2.023 40.979 39.000 -0.074 0.000 1.282 179 F HN 0.311 nan 8.300 nan 0.000 0.460 180 D N 0.435 120.952 120.400 0.195 0.000 2.375 180 D HA 0.307 4.948 4.640 0.001 0.000 0.247 180 D C 0.081 176.443 176.300 0.104 0.000 1.061 180 D CA -0.413 53.656 54.000 0.114 0.000 0.834 180 D CB 1.285 42.128 40.800 0.071 0.000 1.247 180 D HN 0.426 nan 8.370 nan 0.000 0.489 181 N N 0.704 119.458 118.700 0.089 0.000 2.512 181 N HA -0.044 4.697 4.740 0.001 0.000 0.183 181 N C 1.148 176.696 175.510 0.064 0.000 1.073 181 N CA 0.454 53.552 53.050 0.080 0.000 0.911 181 N CB 0.252 38.789 38.487 0.083 0.000 0.964 181 N HN 0.188 nan 8.380 nan 0.000 0.447 182 S N -0.935 114.798 115.700 0.055 0.000 2.496 182 S HA -0.039 4.431 4.470 0.001 0.000 0.224 182 S C 1.529 176.154 174.600 0.042 0.000 0.996 182 S CA 0.924 59.149 58.200 0.043 0.000 0.927 182 S CB -0.185 63.036 63.200 0.034 0.000 0.774 182 S HN 0.577 nan 8.310 nan 0.000 0.524 183 T N -0.156 114.427 114.554 0.049 0.000 3.235 183 T HA 0.489 4.839 4.350 0.001 0.000 0.251 183 T C -0.094 174.630 174.700 0.039 0.000 1.060 183 T CA -0.269 61.858 62.100 0.045 0.000 0.949 183 T CB -0.205 68.697 68.868 0.056 0.000 1.020 183 T HN 0.131 nan 8.240 nan 0.000 0.564 184 L N -0.000 121.249 121.223 0.043 0.000 2.403 184 L HA 0.762 5.103 4.340 0.001 0.000 0.253 184 L C -1.747 175.166 176.870 0.073 0.000 1.045 184 L CA -0.615 54.251 54.840 0.044 0.000 0.845 184 L CB 2.260 44.334 42.059 0.024 0.000 1.447 184 L HN -0.087 nan 8.230 nan 0.000 0.411 185 E N 0.117 120.377 120.200 0.101 0.000 2.378 185 E HA 0.340 4.691 4.350 0.001 0.000 0.265 185 E C -1.498 175.233 176.600 0.219 0.000 0.932 185 E CA -0.763 55.714 56.400 0.127 0.000 0.795 185 E CB 1.122 30.884 29.700 0.104 0.000 1.296 185 E HN 0.519 nan 8.360 nan 0.000 0.438 186 D N 2.184 122.703 120.400 0.198 0.000 2.402 186 D HA 0.053 4.694 4.640 0.001 0.000 0.268 186 D C 0.117 176.560 176.300 0.238 0.000 1.294 186 D CA 0.483 54.620 54.000 0.228 0.000 0.945 186 D CB -0.444 40.478 40.800 0.203 0.000 1.112 186 D HN 0.158 nan 8.370 nan 0.000 0.517 187 F N 0.618 120.624 119.950 0.093 0.000 2.377 187 F HA 0.478 5.006 4.527 0.001 0.000 0.328 187 F C 0.298 176.108 175.800 0.017 0.000 1.094 187 F CA -1.548 56.485 58.000 0.055 0.000 1.093 187 F CB 0.262 39.296 39.000 0.056 0.000 1.214 187 F HN 0.105 nan 8.300 nan 0.000 0.518 188 I N 3.408 123.971 120.570 -0.012 0.000 2.588 188 I HA 0.107 4.278 4.170 0.001 0.000 0.283 188 I C 1.049 177.063 176.117 -0.172 0.000 1.119 188 I CA -0.050 61.171 61.300 -0.132 0.000 1.419 188 I CB 0.963 38.958 38.000 -0.007 0.000 1.394 188 I HN 0.822 nan 8.210 nan 0.000 0.562 189 I N 2.610 122.998 120.570 -0.304 0.000 4.240 189 I HA 0.340 4.511 4.170 0.001 0.000 0.331 189 I C -0.278 175.731 176.117 -0.181 0.000 1.381 189 I CA 0.109 61.224 61.300 -0.308 0.000 1.136 189 I CB 0.596 38.130 38.000 -0.778 0.000 1.137 189 I HN 0.362 nan 8.210 nan 0.000 0.411 190 M N 2.569 122.105 119.600 -0.106 0.000 2.164 190 M HA 0.422 4.903 4.480 0.001 0.000 0.260 190 M C -1.000 175.333 176.300 0.055 0.000 0.974 190 M CA -0.402 54.903 55.300 0.008 0.000 1.020 190 M CB 2.165 34.758 32.600 -0.011 0.000 1.903 190 M HN 0.079 nan 8.290 nan 0.000 0.469 191 K N 0.557 121.018 120.400 0.102 0.000 2.355 191 K HA 0.166 4.487 4.320 0.001 0.000 0.270 191 K C 1.161 177.825 176.600 0.106 0.000 1.003 191 K CA 0.053 56.405 56.287 0.107 0.000 0.957 191 K CB 0.790 33.378 32.500 0.146 0.000 0.939 191 K HN 0.728 nan 8.250 nan 0.000 0.482 192 S N 1.169 116.928 115.700 0.098 0.000 2.465 192 S HA -0.215 4.255 4.470 0.001 0.000 0.241 192 S C 1.247 175.896 174.600 0.082 0.000 1.000 192 S CA 1.653 59.911 58.200 0.097 0.000 0.964 192 S CB -0.567 62.692 63.200 0.097 0.000 0.763 192 S HN 0.779 nan 8.310 nan 0.000 0.512 193 N N 0.794 119.555 118.700 0.102 0.000 2.467 193 N HA 0.350 5.091 4.740 0.001 0.000 0.184 193 N C 1.304 176.825 175.510 0.019 0.000 1.106 193 N CA 0.799 53.915 53.050 0.110 0.000 0.892 193 N CB -0.174 38.443 38.487 0.216 0.000 0.969 193 N HN 0.525 nan 8.380 nan 0.000 0.454 194 G N -0.782 108.024 108.800 0.010 0.000 2.424 194 G HA2 -0.226 3.735 3.960 0.001 0.000 0.207 194 G HA3 -0.226 3.735 3.960 0.001 0.000 0.207 194 G C -0.237 174.606 174.900 -0.094 0.000 1.061 194 G CA -0.277 44.760 45.100 -0.105 0.000 0.657 194 G HN 0.211 nan 8.290 nan 0.000 0.508 195 F N 4.904 124.925 119.950 0.118 0.000 2.541 195 F HA 0.402 4.929 4.527 0.001 0.000 0.378 195 F C -1.216 174.642 175.800 0.097 0.000 1.068 195 F CA -1.449 56.621 58.000 0.117 0.000 1.199 195 F CB 0.565 39.616 39.000 0.085 0.000 1.091 195 F HN -0.026 nan 8.300 nan 0.000 0.555 196 P HA 0.062 nan 4.420 nan 0.000 0.276 196 P C -0.092 177.297 177.300 0.148 0.000 1.235 196 P CA -0.352 62.873 63.100 0.209 0.000 0.772 196 P CB 0.812 32.700 31.700 0.313 0.000 0.871 197 T N 1.203 115.855 114.554 0.164 0.000 2.856 197 T HA -0.156 4.195 4.350 0.001 0.000 0.329 197 T C 1.092 175.879 174.700 0.145 0.000 1.094 197 T CA 0.067 62.262 62.100 0.159 0.000 1.112 197 T CB -0.040 68.931 68.868 0.172 0.000 1.009 197 T HN 0.405 nan 8.240 nan 0.000 0.550 198 Y N 3.362 123.683 120.300 0.035 0.000 2.030 198 Y HA -0.298 4.253 4.550 0.001 0.000 0.274 198 Y C 2.187 178.086 175.900 -0.002 0.000 1.153 198 Y CA 2.585 60.675 58.100 -0.017 0.000 1.115 198 Y CB -1.288 37.165 38.460 -0.011 0.000 0.969 198 Y HN 0.826 nan 8.280 nan 0.000 0.488 199 N N -0.495 118.113 118.700 -0.152 0.000 2.139 199 N HA -0.305 4.436 4.740 0.001 0.000 0.199 199 N C 1.580 177.012 175.510 -0.130 0.000 1.003 199 N CA 2.246 55.182 53.050 -0.189 0.000 0.892 199 N CB -0.977 37.583 38.487 0.121 0.000 1.039 199 N HN 0.532 nan 8.380 nan 0.000 0.461 200 F N 0.638 120.502 119.950 -0.144 0.000 2.262 200 F HA 0.349 4.877 4.527 0.001 0.000 0.292 200 F C 1.377 177.031 175.800 -0.242 0.000 1.081 200 F CA 0.354 58.258 58.000 -0.160 0.000 1.355 200 F CB -0.511 38.425 39.000 -0.106 0.000 1.069 200 F HN -0.024 nan 8.300 nan 0.000 0.506 201 A N 0.408 122.955 122.820 -0.454 0.000 2.863 201 A HA 0.389 4.709 4.320 0.001 0.000 0.246 201 A C 0.627 177.913 177.584 -0.498 0.000 1.772 201 A CA 0.939 52.568 52.037 -0.679 0.000 1.456 201 A CB -1.311 17.333 19.000 -0.594 0.000 0.930 201 A HN 0.305 nan 8.150 nan 0.000 0.630 202 V N -1.954 117.658 119.914 -0.503 0.000 3.273 202 V HA -0.056 4.065 4.120 0.001 0.000 0.208 202 V C 1.881 177.797 176.094 -0.296 0.000 1.464 202 V CA 0.782 62.865 62.300 -0.362 0.000 1.270 202 V CB -0.208 31.323 31.823 -0.487 0.000 1.161 202 V HN 0.216 nan 8.190 nan 0.000 0.512 203 V N 0.817 120.472 119.914 -0.431 0.000 2.913 203 V HA -0.122 3.999 4.120 0.001 0.000 0.260 203 V C 2.109 178.000 176.094 -0.337 0.000 1.098 203 V CA 1.900 63.860 62.300 -0.567 0.000 1.121 203 V CB -0.077 31.318 31.823 -0.713 0.000 0.714 203 V HN 0.441 nan 8.190 nan 0.000 0.487 204 V N -0.175 119.505 119.914 -0.391 0.000 2.949 204 V HA -0.024 4.097 4.120 0.001 0.000 0.245 204 V C 1.826 177.771 176.094 -0.249 0.000 1.086 204 V CA 1.318 63.373 62.300 -0.407 0.000 1.097 204 V CB -0.039 31.547 31.823 -0.395 0.000 0.762 204 V HN 0.523 nan 8.190 nan 0.000 0.470 205 D N 0.500 120.824 120.400 -0.125 0.000 2.154 205 D HA -0.108 4.533 4.640 0.001 0.000 0.211 205 D C 1.750 178.001 176.300 -0.082 0.000 0.977 205 D CA 1.179 55.150 54.000 -0.048 0.000 0.869 205 D CB -0.297 40.519 40.800 0.026 0.000 1.022 205 D HN 0.266 nan 8.370 nan 0.000 0.461 206 D N -0.539 119.829 120.400 -0.053 0.000 2.190 206 D HA -0.183 4.458 4.640 0.001 0.000 0.200 206 D C 1.700 177.956 176.300 -0.075 0.000 0.992 206 D CA 1.079 55.055 54.000 -0.040 0.000 0.854 206 D CB -0.275 40.553 40.800 0.046 0.000 0.936 206 D HN 0.325 nan 8.370 nan 0.000 0.462 207 H N 0.578 119.537 119.070 -0.184 0.000 2.267 207 H HA 0.045 4.602 4.556 0.002 0.000 0.302 207 H C 2.145 177.238 175.328 -0.391 0.000 1.056 207 H CA 1.334 57.188 56.048 -0.323 0.000 1.269 207 H CB -0.583 28.797 29.762 -0.636 0.000 1.385 207 H HN -0.002 nan 8.280 nan 0.000 0.501 208 L N -0.291 120.589 121.223 -0.572 0.000 2.013 208 L HA -0.216 4.124 4.340 0.001 0.000 0.212 208 L C 2.587 179.290 176.870 -0.278 0.000 1.073 208 L CA 1.763 56.329 54.840 -0.456 0.000 0.753 208 L CB -0.497 41.412 42.059 -0.250 0.000 0.890 208 L HN 0.400 nan 8.230 nan 0.000 0.432 209 M N -0.628 118.828 119.600 -0.241 0.000 2.686 209 M HA -0.018 4.463 4.480 0.001 0.000 0.246 209 M C -0.159 175.713 176.300 -0.714 0.000 1.096 209 M CA 0.428 55.542 55.300 -0.310 0.000 1.076 209 M CB -0.147 32.397 32.600 -0.094 0.000 1.504 209 M HN 0.098 nan 8.290 nan 0.000 0.524 210 R N 1.591 121.751 120.500 -0.566 0.000 2.190 210 R HA -0.140 4.201 4.340 0.001 0.000 0.331 210 R C -1.394 174.676 176.300 -0.382 0.000 1.136 210 R CA 0.245 56.041 56.100 -0.507 0.000 1.036 210 R CB -1.302 28.630 30.300 -0.614 0.000 2.930 210 R HN 0.226 nan 8.270 nan 0.000 0.501 211 I N 2.335 122.753 120.570 -0.253 0.000 2.448 211 I HA 0.060 4.231 4.170 0.001 0.000 0.281 211 I C 1.737 177.736 176.117 -0.197 0.000 1.027 211 I CA -0.194 60.997 61.300 -0.182 0.000 1.111 211 I CB 1.421 39.336 38.000 -0.141 0.000 1.236 211 I HN 0.649 nan 8.210 nan 0.000 0.452 212 S N 5.463 121.082 115.700 -0.134 0.000 2.335 212 S HA -0.073 4.398 4.470 0.001 0.000 0.216 212 S C 0.576 174.943 174.600 -0.388 0.000 1.032 212 S CA 0.952 59.044 58.200 -0.179 0.000 1.000 212 S CB -0.320 62.906 63.200 0.044 0.000 0.928 212 S HN 0.641 nan 8.310 nan 0.000 0.434 213 H N -0.006 118.860 119.070 -0.339 0.000 2.457 213 H HA 0.671 5.228 4.556 0.002 0.000 0.335 213 H C -1.040 173.829 175.328 -0.765 0.000 1.115 213 H CA -0.697 54.926 56.048 -0.709 0.000 1.219 213 H CB 1.594 30.761 29.762 -0.993 0.000 1.471 213 H HN 0.102 nan 8.280 nan 0.000 0.491 214 V N 5.027 124.503 119.914 -0.731 0.000 2.235 214 V HA 0.169 4.290 4.120 0.001 0.000 0.266 214 V C -0.862 175.074 176.094 -0.263 0.000 1.055 214 V CA -0.597 61.474 62.300 -0.382 0.000 0.844 214 V CB -0.900 30.798 31.823 -0.207 0.000 1.097 214 V HN 0.512 nan 8.190 nan 0.000 0.453 215 F N 4.836 124.814 119.950 0.048 0.000 2.411 215 F HA 0.732 5.260 4.527 0.001 0.000 0.355 215 F C 0.877 176.748 175.800 0.120 0.000 1.117 215 F CA -0.790 57.236 58.000 0.043 0.000 1.139 215 F CB 0.698 39.713 39.000 0.026 0.000 1.120 215 F HN 0.489 nan 8.300 nan 0.000 0.493 216 R N 0.989 121.637 120.500 0.246 0.000 3.145 216 R HA 0.856 5.197 4.340 0.001 0.000 0.253 216 R C -0.246 176.199 176.300 0.243 0.000 1.289 216 R CA -1.252 54.996 56.100 0.247 0.000 1.030 216 R CB 0.378 30.789 30.300 0.184 0.000 1.387 216 R HN 0.611 nan 8.270 nan 0.000 0.466 217 G N -0.247 108.725 108.800 0.287 0.000 2.476 217 G HA2 0.223 4.184 3.960 0.001 0.000 0.286 217 G HA3 0.223 4.184 3.960 0.001 0.000 0.286 217 G C -0.069 175.035 174.900 0.340 0.000 1.177 217 G CA -0.623 44.638 45.100 0.267 0.000 0.870 217 G HN 0.628 nan 8.290 nan 0.000 0.528 218 E N 0.198 120.565 120.200 0.280 0.000 2.516 218 E HA -0.078 4.273 4.350 0.001 0.000 0.199 218 E C 0.895 177.583 176.600 0.146 0.000 1.069 218 E CA 0.471 57.033 56.400 0.270 0.000 0.876 218 E CB 0.250 30.049 29.700 0.165 0.000 0.843 218 E HN 0.686 nan 8.360 nan 0.000 0.530 219 D N -0.051 120.398 120.400 0.082 0.000 2.349 219 D HA -0.127 4.514 4.640 0.001 0.000 0.224 219 D C 0.966 177.148 176.300 -0.197 0.000 1.029 219 D CA 0.611 54.556 54.000 -0.092 0.000 0.879 219 D CB 0.023 40.708 40.800 -0.192 0.000 0.906 219 D HN 0.284 nan 8.370 nan 0.000 0.528 220 H N -0.313 118.869 119.070 0.186 0.000 2.923 220 H HA 0.153 4.710 4.556 0.001 0.000 0.268 220 H C 1.530 176.933 175.328 0.125 0.000 1.148 220 H CA -0.353 55.802 56.048 0.178 0.000 1.146 220 H CB 0.877 30.784 29.762 0.242 0.000 1.607 220 H HN 0.066 nan 8.280 nan 0.000 0.566 221 L N 0.705 121.923 121.223 -0.008 0.000 2.265 221 L HA -0.045 4.295 4.340 0.001 0.000 0.215 221 L C 1.626 178.420 176.870 -0.127 0.000 1.117 221 L CA 1.304 55.887 54.840 -0.428 0.000 0.782 221 L CB -0.086 41.721 42.059 -0.421 0.000 0.914 221 L HN -0.044 nan 8.230 nan 0.000 0.441 222 S N -0.855 114.785 115.700 -0.099 0.000 2.501 222 S HA 0.047 4.518 4.470 0.001 0.000 0.220 222 S C 1.445 175.876 174.600 -0.283 0.000 0.997 222 S CA 0.624 58.694 58.200 -0.216 0.000 0.919 222 S CB -0.207 62.936 63.200 -0.094 0.000 0.778 222 S HN 0.529 nan 8.310 nan 0.000 0.523 223 N N 1.020 119.639 118.700 -0.135 0.000 2.415 223 N HA 0.053 4.794 4.740 0.001 0.000 0.176 223 N C 1.486 176.861 175.510 -0.225 0.000 1.042 223 N CA 0.720 53.686 53.050 -0.141 0.000 0.902 223 N CB -0.312 38.215 38.487 0.067 0.000 0.986 223 N HN 0.170 nan 8.380 nan 0.000 0.447 224 T N 1.221 115.632 114.554 -0.239 0.000 2.699 224 T HA -0.103 4.247 4.350 0.001 0.000 0.268 224 T C -0.837 173.657 174.700 -0.344 0.000 1.036 224 T CA 1.234 63.084 62.100 -0.416 0.000 1.147 224 T CB -1.113 67.383 68.868 -0.620 0.000 0.862 224 T HN 0.250 nan 8.240 nan 0.000 0.446 225 P HA -0.064 nan 4.420 nan 0.000 0.216 225 P C 1.348 178.566 177.300 -0.137 0.000 1.150 225 P CA 1.220 64.208 63.100 -0.187 0.000 0.837 225 P CB -0.024 31.410 31.700 -0.442 0.000 0.786 226 K N -0.645 119.604 120.400 -0.252 0.000 2.103 226 K HA -0.100 4.221 4.320 0.001 0.000 0.204 226 K C 2.254 178.769 176.600 -0.142 0.000 1.052 226 K CA 1.100 57.218 56.287 -0.282 0.000 0.945 226 K CB -0.248 31.811 32.500 -0.734 0.000 0.722 226 K HN 0.255 nan 8.250 nan 0.000 0.443 227 Q N 0.722 120.429 119.800 -0.156 0.000 2.079 227 Q HA -0.063 4.278 4.340 0.001 0.000 0.200 227 Q C 2.177 178.225 176.000 0.080 0.000 0.974 227 Q CA 1.010 56.753 55.803 -0.101 0.000 0.840 227 Q CB -0.102 28.576 28.738 -0.100 0.000 0.898 227 Q HN 0.279 nan 8.270 nan 0.000 0.430 228 L N 0.097 121.406 121.223 0.143 0.000 2.042 228 L HA -0.223 4.117 4.340 0.001 0.000 0.210 228 L C 2.511 179.525 176.870 0.239 0.000 1.076 228 L CA 1.109 56.124 54.840 0.292 0.000 0.749 228 L CB -0.488 41.677 42.059 0.178 0.000 0.893 228 L HN 0.345 nan 8.230 nan 0.000 0.432 229 M N -0.244 119.440 119.600 0.141 0.000 2.065 229 M HA -0.252 4.229 4.480 0.001 0.000 0.259 229 M C 2.323 178.647 176.300 0.040 0.000 1.069 229 M CA 1.972 57.376 55.300 0.173 0.000 1.110 229 M CB -0.501 32.284 32.600 0.308 0.000 1.328 229 M HN 0.190 nan 8.290 nan 0.000 0.405 230 I N -1.233 119.211 120.570 -0.210 0.000 2.423 230 I HA -0.292 3.879 4.170 0.001 0.000 0.254 230 I C 2.042 178.117 176.117 -0.071 0.000 1.151 230 I CA 1.335 62.449 61.300 -0.310 0.000 1.421 230 I CB -0.545 37.304 38.000 -0.252 0.000 1.079 230 I HN 0.224 nan 8.210 nan 0.000 0.431 231 Y N 1.078 121.417 120.300 0.066 0.000 2.337 231 Y HA -0.108 4.443 4.550 0.001 0.000 0.293 231 Y C 2.377 178.307 175.900 0.052 0.000 1.123 231 Y CA 1.019 59.192 58.100 0.121 0.000 1.201 231 Y CB -0.213 38.347 38.460 0.167 0.000 1.011 231 Y HN 0.197 nan 8.280 nan 0.000 0.545 232 E N -1.014 119.308 120.200 0.203 0.000 2.442 232 E HA 0.073 4.424 4.350 0.001 0.000 0.195 232 E C 1.963 178.587 176.600 0.040 0.000 1.030 232 E CA 0.498 56.976 56.400 0.129 0.000 0.869 232 E CB 0.099 29.889 29.700 0.150 0.000 0.857 232 E HN 0.375 nan 8.360 nan 0.000 0.505 233 A N 0.135 122.941 122.820 -0.023 0.000 2.030 233 A HA 0.033 4.354 4.320 0.001 0.000 0.215 233 A C 1.354 178.692 177.584 -0.411 0.000 1.164 233 A CA 0.467 52.419 52.037 -0.142 0.000 0.697 233 A CB -0.058 18.923 19.000 -0.032 0.000 0.827 233 A HN 0.119 nan 8.150 nan 0.000 0.457 234 F N -0.850 118.842 119.950 -0.429 0.000 2.721 234 F HA 0.343 4.872 4.527 0.002 0.000 0.301 234 F C 1.867 177.248 175.800 -0.698 0.000 1.096 234 F CA 0.336 57.813 58.000 -0.871 0.000 1.308 234 F CB 0.319 38.031 39.000 -2.147 0.000 1.086 234 F HN 0.338 nan 8.300 nan 0.000 0.587 235 G N -0.798 107.910 108.800 -0.154 0.000 2.162 235 G HA2 -0.279 3.682 3.960 0.001 0.000 0.260 235 G HA3 -0.279 3.682 3.960 0.001 0.000 0.260 235 G C -0.107 174.915 174.900 0.203 0.000 0.976 235 G CA -0.251 44.870 45.100 0.034 0.000 0.655 235 G HN 0.148 nan 8.290 nan 0.000 0.533 236 W N 1.489 122.879 121.300 0.150 0.000 2.345 236 W HA 0.550 5.211 4.660 0.002 0.000 0.308 236 W C 0.654 177.241 176.519 0.113 0.000 1.273 236 W CA -1.811 55.591 57.345 0.095 0.000 1.243 236 W CB 0.176 29.583 29.460 -0.089 0.000 1.260 236 W HN 0.332 nan 8.180 nan 0.000 0.509 237 E N 2.594 122.939 120.200 0.242 0.000 2.159 237 E HA 0.342 4.693 4.350 0.001 0.000 0.272 237 E C 0.480 176.980 176.600 -0.166 0.000 1.138 237 E CA -0.290 56.143 56.400 0.055 0.000 0.915 237 E CB 0.390 30.115 29.700 0.040 0.000 1.028 237 E HN 0.442 nan 8.360 nan 0.000 0.423 238 A N 5.571 128.157 122.820 -0.390 0.000 2.583 238 A HA 0.105 4.426 4.320 0.001 0.000 0.231 238 A C -2.026 175.184 177.584 -0.623 0.000 1.065 238 A CA -0.827 50.666 52.037 -0.908 0.000 0.760 238 A CB -0.156 18.518 19.000 -0.543 0.000 1.001 238 A HN 0.571 nan 8.150 nan 0.000 0.509 239 P HA 0.317 nan 4.420 nan 0.000 0.302 239 P C -0.706 176.005 177.300 -0.982 0.000 1.301 239 P CA -0.583 62.054 63.100 -0.772 0.000 0.745 239 P CB 0.285 31.549 31.700 -0.727 0.000 1.331 240 V N 0.476 119.857 119.914 -0.888 0.000 2.461 240 V HA 0.220 4.341 4.120 0.001 0.000 0.275 240 V C -0.246 175.380 176.094 -0.780 0.000 1.047 240 V CA 0.221 62.092 62.300 -0.715 0.000 0.955 240 V CB -0.607 30.794 31.823 -0.704 0.000 0.988 240 V HN 0.255 nan 8.190 nan 0.000 0.471 241 F N 4.803 124.662 119.950 -0.152 0.000 2.469 241 F HA 0.735 5.263 4.527 0.002 0.000 0.332 241 F C 0.145 176.011 175.800 0.110 0.000 1.103 241 F CA -0.840 57.099 58.000 -0.102 0.000 0.979 241 F CB 1.763 40.660 39.000 -0.172 0.000 1.137 241 F HN 0.355 nan 8.300 nan 0.000 0.463 242 M N 4.060 123.874 119.600 0.357 0.000 2.284 242 M HA 0.315 4.796 4.480 0.001 0.000 0.229 242 M C -1.949 174.523 176.300 0.288 0.000 0.984 242 M CA -0.439 55.096 55.300 0.392 0.000 1.016 242 M CB 0.614 33.468 32.600 0.423 0.000 2.379 242 M HN 0.653 nan 8.290 nan 0.000 0.459 243 H N 4.807 124.026 119.070 0.248 0.000 2.934 243 H HA 0.368 4.925 4.556 0.002 0.000 0.273 243 H C -0.224 175.187 175.328 0.138 0.000 1.121 243 H CA 0.244 56.418 56.048 0.210 0.000 1.451 243 H CB 0.009 29.888 29.762 0.195 0.000 1.469 243 H HN 0.562 nan 8.280 nan 0.000 0.476 244 I N 5.274 125.956 120.570 0.186 0.000 2.696 244 I HA 0.077 4.248 4.170 0.001 0.000 0.284 244 I C -1.801 174.398 176.117 0.137 0.000 1.129 244 I CA -1.851 59.504 61.300 0.091 0.000 1.410 244 I CB 0.650 38.704 38.000 0.088 0.000 1.399 244 I HN 0.362 nan 8.210 nan 0.000 0.579 245 P HA 0.066 nan 4.420 nan 0.000 0.270 245 P C -0.703 176.683 177.300 0.144 0.000 1.221 245 P CA 0.185 63.350 63.100 0.108 0.000 0.788 245 P CB 0.482 32.229 31.700 0.079 0.000 0.904 246 L N 1.058 122.356 121.223 0.125 0.000 2.335 246 L HA 0.531 4.871 4.340 0.001 0.000 0.268 246 L C 0.307 177.254 176.870 0.129 0.000 1.016 246 L CA -0.934 53.981 54.840 0.126 0.000 0.805 246 L CB 0.702 42.815 42.059 0.090 0.000 1.311 246 L HN 0.178 nan 8.230 nan 0.000 0.456 247 I N 1.817 122.468 120.570 0.135 0.000 2.355 247 I HA 0.344 4.515 4.170 0.001 0.000 0.288 247 I C -0.260 175.949 176.117 0.153 0.000 0.999 247 I CA -0.237 61.161 61.300 0.164 0.000 1.163 247 I CB 1.303 39.428 38.000 0.207 0.000 1.316 247 I HN 0.333 nan 8.210 nan 0.000 0.454 248 L N 4.650 125.960 121.223 0.144 0.000 2.492 248 L HA 0.771 5.112 4.340 0.001 0.000 0.263 248 L C 0.843 177.814 176.870 0.169 0.000 1.062 248 L CA -0.702 54.219 54.840 0.136 0.000 0.817 248 L CB 0.999 43.122 42.059 0.107 0.000 1.441 248 L HN 0.573 nan 8.230 nan 0.000 0.493 249 G N -1.283 107.627 108.800 0.183 0.000 2.705 249 G HA2 0.333 4.294 3.960 0.001 0.000 0.299 249 G HA3 0.333 4.294 3.960 0.001 0.000 0.299 249 G C 0.693 175.753 174.900 0.268 0.000 1.315 249 G CA 0.254 45.510 45.100 0.260 0.000 1.045 249 G HN 0.659 nan 8.290 nan 0.000 0.517 250 S N -0.528 115.437 115.700 0.441 0.000 2.440 250 S HA -0.174 4.297 4.470 0.001 0.000 0.238 250 S C 1.292 175.986 174.600 0.158 0.000 1.010 250 S CA 1.875 60.254 58.200 0.298 0.000 0.972 250 S CB -0.245 63.165 63.200 0.351 0.000 0.774 250 S HN 0.630 nan 8.310 nan 0.000 0.501 251 D N 0.791 121.278 120.400 0.145 0.000 2.336 251 D HA 0.072 4.713 4.640 0.001 0.000 0.228 251 D C 0.456 176.806 176.300 0.084 0.000 1.120 251 D CA -0.338 53.714 54.000 0.087 0.000 0.839 251 D CB -0.862 39.978 40.800 0.067 0.000 0.932 251 D HN 0.404 nan 8.370 nan 0.000 0.509 252 R N -0.508 120.051 120.500 0.099 0.000 3.627 252 R HA -0.162 4.178 4.340 0.001 0.000 0.281 252 R C -0.224 176.119 176.300 0.072 0.000 1.140 252 R CA 1.274 57.423 56.100 0.082 0.000 0.761 252 R CB -2.921 27.417 30.300 0.062 0.000 1.181 252 R HN 0.592 nan 8.270 nan 0.000 0.472 253 T N -3.675 110.929 114.554 0.083 0.000 2.924 253 T HA 0.526 4.877 4.350 0.001 0.000 0.291 253 T C -2.833 171.909 174.700 0.070 0.000 1.045 253 T CA -2.516 59.623 62.100 0.064 0.000 1.015 253 T CB 2.696 71.598 68.868 0.056 0.000 1.103 253 T HN -0.272 nan 8.240 nan 0.000 0.496 254 P HA 0.029 nan 4.420 nan 0.000 0.245 254 P C -0.159 177.164 177.300 0.037 0.000 1.123 254 P CA -0.207 62.903 63.100 0.016 0.000 0.853 254 P CB -0.321 31.368 31.700 -0.018 0.000 0.786 255 L N 3.984 125.255 121.223 0.081 0.000 2.578 255 L HA 0.029 4.370 4.340 0.001 0.000 0.279 255 L C 1.161 178.167 176.870 0.226 0.000 1.227 255 L CA 1.541 56.505 54.840 0.206 0.000 0.900 255 L CB 0.009 42.258 42.059 0.317 0.000 1.144 255 L HN 0.357 nan 8.230 nan 0.000 0.496 256 S N 3.054 118.948 115.700 0.322 0.000 5.084 256 S HA 0.290 4.761 4.470 0.001 0.000 0.156 256 S C -0.298 174.443 174.600 0.235 0.000 1.073 256 S CA 0.142 58.511 58.200 0.282 0.000 1.336 256 S CB -0.045 63.216 63.200 0.103 0.000 1.919 256 S HN 0.672 nan 8.310 nan 0.000 0.624 257 K N 0.857 121.358 120.400 0.169 0.000 2.793 257 K HA 0.396 4.717 4.320 0.001 0.000 0.269 257 K C -0.811 175.871 176.600 0.136 0.000 1.124 257 K CA -0.325 56.038 56.287 0.127 0.000 1.074 257 K CB 0.551 33.078 32.500 0.045 0.000 1.322 257 K HN 0.178 nan 8.250 nan 0.000 0.532 258 R N 1.245 121.890 120.500 0.241 0.000 2.555 258 R HA 0.135 4.476 4.340 0.001 0.000 0.312 258 R C 0.312 176.637 176.300 0.041 0.000 0.938 258 R CA 0.108 56.291 56.100 0.138 0.000 1.112 258 R CB 0.371 30.747 30.300 0.127 0.000 1.535 258 R HN 0.545 nan 8.270 nan 0.000 0.525 259 H N -1.383 117.770 119.070 0.138 0.000 3.058 259 H HA 0.441 4.997 4.556 0.001 0.000 0.258 259 H C 1.283 176.627 175.328 0.026 0.000 1.015 259 H CA 0.887 57.030 56.048 0.159 0.000 1.210 259 H CB 1.485 31.492 29.762 0.408 0.000 1.481 259 H HN 0.326 nan 8.280 nan 0.000 0.492 260 G N -0.121 108.734 108.800 0.091 0.000 3.118 260 G HA2 0.328 4.288 3.960 0.001 0.000 0.105 260 G HA3 0.328 4.288 3.960 0.001 0.000 0.105 260 G C -0.835 173.945 174.900 -0.201 0.000 1.918 260 G CA -0.013 45.031 45.100 -0.093 0.000 1.038 260 G HN 0.535 nan 8.290 nan 0.000 0.293 261 A N 0.324 122.928 122.820 -0.359 0.000 2.667 261 A HA 0.636 4.957 4.320 0.001 0.000 0.291 261 A C 0.044 177.365 177.584 -0.440 0.000 1.123 261 A CA 0.791 52.563 52.037 -0.441 0.000 0.832 261 A CB 0.678 19.252 19.000 -0.710 0.000 1.396 261 A HN 0.738 nan 8.150 nan 0.000 0.401 262 T N 0.930 115.369 114.554 -0.192 0.000 3.434 262 T HA 0.112 4.463 4.350 0.001 0.000 0.249 262 T C 0.910 175.475 174.700 -0.226 0.000 1.050 262 T CA 0.989 62.997 62.100 -0.154 0.000 0.952 262 T CB -0.417 68.328 68.868 -0.204 0.000 1.046 262 T HN 0.680 nan 8.240 nan 0.000 0.590 263 S N 0.584 116.135 115.700 -0.248 0.000 2.565 263 S HA 0.191 4.661 4.470 0.001 0.000 0.276 263 S C 1.602 176.205 174.600 0.004 0.000 1.326 263 S CA -0.720 57.431 58.200 -0.081 0.000 1.045 263 S CB 0.736 63.895 63.200 -0.069 0.000 0.918 263 S HN 0.135 nan 8.310 nan 0.000 0.505 264 V N 4.525 124.545 119.914 0.178 0.000 2.490 264 V HA -0.071 4.050 4.120 0.001 0.000 0.250 264 V C 2.399 178.590 176.094 0.163 0.000 1.061 264 V CA 1.998 64.486 62.300 0.313 0.000 1.064 264 V CB -0.869 31.107 31.823 0.256 0.000 0.670 264 V HN 0.851 nan 8.190 nan 0.000 0.461 265 E N -0.432 119.805 120.200 0.062 0.000 2.208 265 E HA -0.191 4.160 4.350 0.001 0.000 0.193 265 E C 2.012 178.613 176.600 0.001 0.000 0.988 265 E CA 1.032 57.420 56.400 -0.019 0.000 0.828 265 E CB -0.248 29.491 29.700 0.065 0.000 0.763 265 E HN 0.805 nan 8.360 nan 0.000 0.478 266 H N -0.770 118.210 119.070 -0.150 0.000 2.270 266 H HA -0.118 4.439 4.556 0.001 0.000 0.299 266 H C 1.384 176.612 175.328 -0.166 0.000 1.077 266 H CA 2.115 58.015 56.048 -0.247 0.000 1.294 266 H CB -0.516 28.952 29.762 -0.490 0.000 1.371 266 H HN 0.173 nan 8.280 nan 0.000 0.491 267 F N 0.589 120.504 119.950 -0.059 0.000 2.236 267 F HA -0.139 4.389 4.527 0.001 0.000 0.302 267 F C 2.903 178.701 175.800 -0.004 0.000 1.073 267 F CA 1.598 59.566 58.000 -0.053 0.000 1.336 267 F CB -0.500 38.574 39.000 0.123 0.000 1.040 267 F HN 0.215 nan 8.300 nan 0.000 0.507 268 R N 0.362 120.927 120.500 0.107 0.000 2.066 268 R HA -0.080 4.261 4.340 0.001 0.000 0.224 268 R C 2.344 178.739 176.300 0.158 0.000 1.122 268 R CA 0.804 56.901 56.100 -0.005 0.000 0.974 268 R CB -0.193 29.693 30.300 -0.690 0.000 0.871 268 R HN -0.028 nan 8.270 nan 0.000 0.435 269 R N 0.897 121.469 120.500 0.121 0.000 2.200 269 R HA -0.094 4.246 4.340 0.001 0.000 0.234 269 R C 1.569 177.964 176.300 0.158 0.000 1.127 269 R CA 1.482 57.663 56.100 0.135 0.000 0.989 269 R CB -0.051 30.249 30.300 -0.000 0.000 0.869 269 R HN 0.336 nan 8.270 nan 0.000 0.459 270 E N -1.740 118.516 120.200 0.093 0.000 2.102 270 E HA 0.157 4.508 4.350 0.001 0.000 0.190 270 E C 0.744 177.507 176.600 0.271 0.000 0.971 270 E CA 1.205 57.673 56.400 0.113 0.000 0.821 270 E CB 0.239 29.867 29.700 -0.120 0.000 0.777 270 E HN 0.375 nan 8.360 nan 0.000 0.460 271 G N 0.962 109.887 108.800 0.208 0.000 2.263 271 G HA2 -0.071 3.890 3.960 0.001 0.000 0.207 271 G HA3 -0.071 3.890 3.960 0.001 0.000 0.207 271 G C -0.340 174.523 174.900 -0.062 0.000 1.072 271 G CA -0.563 44.458 45.100 -0.131 0.000 0.800 271 G HN -0.001 nan 8.290 nan 0.000 0.491 272 I N 1.672 122.313 120.570 0.118 0.000 2.312 272 I HA 0.368 4.539 4.170 0.001 0.000 0.290 272 I C 0.622 176.836 176.117 0.162 0.000 1.008 272 I CA -1.218 60.150 61.300 0.113 0.000 1.226 272 I CB 1.012 39.116 38.000 0.173 0.000 1.371 272 I HN -0.043 nan 8.210 nan 0.000 0.468 273 L N 5.138 126.371 121.223 0.017 0.000 2.601 273 L HA -0.056 4.285 4.340 0.001 0.000 0.277 273 L C 1.855 178.625 176.870 -0.167 0.000 1.219 273 L CA 0.726 55.533 54.840 -0.054 0.000 0.915 273 L CB -0.088 41.899 42.059 -0.120 0.000 1.160 273 L HN 0.696 nan 8.230 nan 0.000 0.494 274 S N 3.420 118.881 115.700 -0.398 0.000 2.440 274 S HA -0.175 4.296 4.470 0.001 0.000 0.238 274 S C 1.906 176.231 174.600 -0.459 0.000 1.010 274 S CA 1.550 59.315 58.200 -0.724 0.000 0.972 274 S CB -0.135 62.073 63.200 -1.653 0.000 0.774 274 S HN 0.775 nan 8.310 nan 0.000 0.501 275 R N 0.060 120.328 120.500 -0.386 0.000 2.275 275 R HA 0.299 4.640 4.340 0.001 0.000 0.199 275 R C 2.065 178.080 176.300 -0.474 0.000 0.989 275 R CA 0.941 56.841 56.100 -0.333 0.000 1.016 275 R CB -0.386 29.785 30.300 -0.215 0.000 0.918 275 R HN 0.347 nan 8.270 nan 0.000 0.473 276 A N 1.530 124.044 122.820 -0.510 0.000 1.943 276 A HA 0.038 4.358 4.320 0.001 0.000 0.213 276 A C 2.013 179.420 177.584 -0.295 0.000 1.181 276 A CA 0.274 51.961 52.037 -0.583 0.000 0.653 276 A CB -0.180 18.550 19.000 -0.451 0.000 0.833 276 A HN 0.274 nan 8.150 nan 0.000 0.451 277 L N -0.536 120.575 121.223 -0.186 0.000 2.027 277 L HA -0.117 4.224 4.340 0.001 0.000 0.206 277 L C 2.213 179.052 176.870 -0.052 0.000 1.074 277 L CA 2.004 56.806 54.840 -0.065 0.000 0.745 277 L CB -0.533 41.518 42.059 -0.013 0.000 0.898 277 L HN 0.274 nan 8.230 nan 0.000 0.433 278 M N -0.476 119.045 119.600 -0.132 0.000 2.213 278 M HA -0.167 4.314 4.480 0.001 0.000 0.263 278 M C 2.119 178.362 176.300 -0.094 0.000 1.062 278 M CA 1.551 56.772 55.300 -0.132 0.000 1.105 278 M CB -1.896 30.600 32.600 -0.175 0.000 1.385 278 M HN 0.467 nan 8.290 nan 0.000 0.417 279 N N 0.064 118.675 118.700 -0.148 0.000 2.309 279 N HA -0.192 4.549 4.740 0.001 0.000 0.182 279 N C 1.567 176.964 175.510 -0.188 0.000 1.018 279 N CA 1.066 53.965 53.050 -0.252 0.000 0.876 279 N CB -0.179 38.070 38.487 -0.397 0.000 0.972 279 N HN 0.331 nan 8.380 nan 0.000 0.434 280 Y N 0.607 120.786 120.300 -0.202 0.000 2.269 280 Y HA 0.218 4.769 4.550 0.002 0.000 0.294 280 Y C 1.608 177.491 175.900 -0.029 0.000 1.120 280 Y CA 0.988 59.012 58.100 -0.126 0.000 1.159 280 Y CB -0.257 38.124 38.460 -0.133 0.000 1.024 280 Y HN 0.035 nan 8.280 nan 0.000 0.532 281 L N -0.087 121.090 121.223 -0.076 0.000 2.633 281 L HA -0.084 4.256 4.340 0.001 0.000 0.235 281 L C 2.105 178.910 176.870 -0.109 0.000 1.163 281 L CA 0.850 55.614 54.840 -0.127 0.000 0.859 281 L CB -0.590 41.411 42.059 -0.095 0.000 0.973 281 L HN 0.353 nan 8.230 nan 0.000 0.451 282 A N -0.532 122.277 122.820 -0.019 0.000 1.984 282 A HA 0.027 4.348 4.320 0.001 0.000 0.203 282 A C 1.910 179.666 177.584 0.287 0.000 1.292 282 A CA -0.016 52.134 52.037 0.188 0.000 0.782 282 A CB -0.318 18.863 19.000 0.303 0.000 0.924 282 A HN 0.208 nan 8.150 nan 0.000 0.475 283 L N 0.464 121.773 121.223 0.143 0.000 2.187 283 L HA 0.028 4.369 4.340 0.001 0.000 0.213 283 L C 0.630 177.554 176.870 0.090 0.000 1.100 283 L CA 1.269 56.191 54.840 0.138 0.000 0.765 283 L CB -0.630 41.439 42.059 0.017 0.000 0.904 283 L HN 0.350 nan 8.230 nan 0.000 0.437 284 L N 0.477 121.687 121.223 -0.021 0.000 2.451 284 L HA 0.291 4.632 4.340 0.001 0.000 0.272 284 L C 1.141 178.090 176.870 0.131 0.000 1.258 284 L CA 0.462 55.291 54.840 -0.019 0.000 1.132 284 L CB -0.865 41.105 42.059 -0.148 0.000 1.361 284 L HN 0.447 nan 8.230 nan 0.000 0.438 285 G N 1.061 109.960 108.800 0.165 0.000 3.465 285 G HA2 -0.157 3.804 3.960 0.001 0.000 0.219 285 G HA3 -0.157 3.804 3.960 0.001 0.000 0.219 285 G C -0.952 174.127 174.900 0.298 0.000 0.984 285 G CA -0.608 44.609 45.100 0.196 0.000 0.864 285 G HN 0.387 nan 8.290 nan 0.000 0.485 286 W N 2.157 123.521 121.300 0.106 0.000 2.835 286 W HA 0.786 5.447 4.660 0.001 0.000 0.326 286 W C -0.680 175.916 176.519 0.129 0.000 1.024 286 W CA -1.564 55.841 57.345 0.100 0.000 1.267 286 W CB 1.223 30.744 29.460 0.102 0.000 1.267 286 W HN 0.054 nan 8.180 nan 0.000 0.412 287 R N 5.028 125.378 120.500 -0.250 0.000 2.612 287 R HA 0.351 4.692 4.340 0.001 0.000 0.273 287 R C -0.294 175.583 176.300 -0.706 0.000 1.376 287 R CA -0.217 55.691 56.100 -0.320 0.000 1.171 287 R CB -0.106 30.112 30.300 -0.138 0.000 1.151 287 R HN 0.372 nan 8.270 nan 0.000 0.560 288 V N 3.765 123.053 119.914 -1.043 0.000 2.928 288 V HA -0.096 4.025 4.120 0.001 0.000 0.307 288 V C 0.905 176.709 176.094 -0.483 0.000 1.105 288 V CA 0.609 62.175 62.300 -1.222 0.000 1.223 288 V CB 0.725 31.955 31.823 -0.989 0.000 0.930 288 V HN 0.923 nan 8.190 nan 0.000 0.499 289 E N 3.800 123.811 120.200 -0.316 0.000 2.153 289 E HA -0.087 4.264 4.350 0.001 0.000 0.194 289 E C 1.863 178.411 176.600 -0.085 0.000 0.988 289 E CA 1.203 57.526 56.400 -0.129 0.000 0.811 289 E CB -0.270 29.404 29.700 -0.043 0.000 0.746 289 E HN 0.981 nan 8.360 nan 0.000 0.466 290 G N 1.107 109.857 108.800 -0.085 0.000 2.666 290 G HA2 -0.192 3.769 3.960 0.001 0.000 0.215 290 G HA3 -0.192 3.769 3.960 0.001 0.000 0.215 290 G C 0.513 175.405 174.900 -0.012 0.000 1.294 290 G CA 0.877 45.957 45.100 -0.032 0.000 0.811 290 G HN 0.220 nan 8.290 nan 0.000 0.594 291 D N -1.445 118.965 120.400 0.018 0.000 2.836 291 D HA 0.041 4.682 4.640 0.001 0.000 0.215 291 D C 1.036 177.412 176.300 0.126 0.000 1.255 291 D CA -0.294 53.739 54.000 0.054 0.000 0.822 291 D CB 1.251 42.081 40.800 0.048 0.000 1.656 291 D HN 0.417 nan 8.370 nan 0.000 0.511 292 E N 2.169 122.418 120.200 0.081 0.000 2.396 292 E HA -0.062 4.289 4.350 0.001 0.000 0.200 292 E C 0.461 177.025 176.600 -0.062 0.000 1.023 292 E CA 0.726 57.173 56.400 0.079 0.000 0.857 292 E CB 0.239 30.002 29.700 0.105 0.000 0.775 292 E HN 0.383 nan 8.360 nan 0.000 0.525 293 I N 1.091 121.619 120.570 -0.071 0.000 2.412 293 I HA 0.403 4.574 4.170 0.001 0.000 0.296 293 I C -0.447 175.614 176.117 -0.093 0.000 0.987 293 I CA -1.099 60.060 61.300 -0.235 0.000 1.180 293 I CB 0.935 38.793 38.000 -0.237 0.000 1.340 293 I HN 0.061 nan 8.210 nan 0.000 0.455 294 F N 1.858 121.842 119.950 0.056 0.000 3.652 294 F HA 0.572 5.100 4.527 0.001 0.000 0.329 294 F C -1.073 174.812 175.800 0.141 0.000 1.092 294 F CA -1.080 56.938 58.000 0.031 0.000 0.841 294 F CB 0.663 39.682 39.000 0.031 0.000 1.621 294 F HN 0.351 nan 8.300 nan 0.000 0.495 295 T N -0.350 114.550 114.554 0.577 0.000 2.876 295 T HA 0.551 4.901 4.350 0.001 0.000 0.289 295 T C 0.250 175.165 174.700 0.360 0.000 1.014 295 T CA -0.667 61.653 62.100 0.367 0.000 0.986 295 T CB 1.686 70.664 68.868 0.184 0.000 1.021 295 T HN 0.638 nan 8.240 nan 0.000 0.458 296 I N 1.098 121.804 120.570 0.226 0.000 2.546 296 I HA -0.026 4.145 4.170 0.001 0.000 0.255 296 I C 2.448 178.611 176.117 0.077 0.000 1.163 296 I CA 1.018 62.402 61.300 0.140 0.000 1.457 296 I CB -1.051 36.982 38.000 0.055 0.000 1.092 296 I HN 0.944 nan 8.210 nan 0.000 0.434 297 E N 1.669 121.911 120.200 0.069 0.000 2.049 297 E HA -0.280 4.071 4.350 0.001 0.000 0.198 297 E C 2.002 178.621 176.600 0.032 0.000 1.007 297 E CA 2.280 58.716 56.400 0.059 0.000 0.809 297 E CB 0.133 29.854 29.700 0.034 0.000 0.749 297 E HN 0.729 nan 8.360 nan 0.000 0.450 298 E N 0.118 120.332 120.200 0.023 0.000 2.024 298 E HA -0.042 4.309 4.350 0.001 0.000 0.190 298 E C 0.290 176.869 176.600 -0.034 0.000 0.974 298 E CA 0.077 56.473 56.400 -0.005 0.000 0.810 298 E CB -0.266 29.434 29.700 -0.000 0.000 0.775 298 E HN -0.129 nan 8.360 nan 0.000 0.453 299 K N 1.219 121.582 120.400 -0.062 0.000 2.320 299 K HA -0.009 4.312 4.320 0.001 0.000 0.269 299 K C -0.037 176.508 176.600 -0.092 0.000 1.182 299 K CA 0.394 56.605 56.287 -0.127 0.000 1.190 299 K CB 0.739 33.025 32.500 -0.356 0.000 0.850 299 K HN 0.319 nan 8.250 nan 0.000 0.467 300 L N 2.358 123.548 121.223 -0.056 0.000 4.496 300 L HA 0.004 4.345 4.340 0.001 0.000 0.451 300 L C 0.978 177.853 176.870 0.008 0.000 1.083 300 L CA 0.465 55.279 54.840 -0.043 0.000 1.633 300 L CB 0.143 42.133 42.059 -0.115 0.000 1.550 300 L HN 0.338 nan 8.230 nan 0.000 0.593 301 Q N -0.117 119.680 119.800 -0.005 0.000 2.061 301 Q HA 0.173 4.513 4.340 0.001 0.000 0.195 301 Q C 1.603 177.589 176.000 -0.023 0.000 0.967 301 Q CA 1.628 57.422 55.803 -0.015 0.000 0.829 301 Q CB 0.149 28.875 28.738 -0.019 0.000 0.900 301 Q HN 0.615 nan 8.270 nan 0.000 0.450 302 S N -0.244 115.425 115.700 -0.052 0.000 2.614 302 S HA 0.107 4.578 4.470 0.001 0.000 0.230 302 S C 0.313 174.792 174.600 -0.200 0.000 0.952 302 S CA -0.627 57.486 58.200 -0.145 0.000 0.949 302 S CB -0.608 62.467 63.200 -0.207 0.000 0.786 302 S HN 0.196 nan 8.310 nan 0.000 0.478 303 F N 4.286 124.110 119.950 -0.210 0.000 2.616 303 F HA 0.213 4.741 4.527 0.002 0.000 0.331 303 F C 0.161 175.870 175.800 -0.150 0.000 1.309 303 F CA -1.140 56.758 58.000 -0.171 0.000 1.068 303 F CB -0.592 38.369 39.000 -0.065 0.000 1.464 303 F HN 0.218 nan 8.300 nan 0.000 0.667 304 D N 7.388 127.449 120.400 -0.566 0.000 2.280 304 D HA 0.211 4.851 4.640 0.001 0.000 0.236 304 D C -2.047 173.853 176.300 -0.667 0.000 1.082 304 D CA -2.026 51.643 54.000 -0.551 0.000 0.834 304 D CB 2.229 42.811 40.800 -0.364 0.000 1.100 304 D HN 0.183 nan 8.370 nan 0.000 0.486 305 P HA -0.161 nan 4.420 nan 0.000 0.216 305 P C 0.891 177.905 177.300 -0.476 0.000 1.157 305 P CA 1.458 64.133 63.100 -0.709 0.000 0.880 305 P CB 0.247 31.506 31.700 -0.735 0.000 0.791 306 K N -0.842 119.353 120.400 -0.341 0.000 2.520 306 K HA -0.162 4.159 4.320 0.001 0.000 0.197 306 K C 0.978 177.459 176.600 -0.198 0.000 1.043 306 K CA 1.271 57.426 56.287 -0.220 0.000 0.944 306 K CB -0.566 31.843 32.500 -0.153 0.000 0.770 306 K HN 0.254 nan 8.250 nan 0.000 0.480 307 D N 0.576 120.820 120.400 -0.260 0.000 2.317 307 D HA 0.006 4.647 4.640 0.001 0.000 0.211 307 D C 0.258 176.497 176.300 -0.101 0.000 0.966 307 D CA 0.545 54.429 54.000 -0.193 0.000 0.876 307 D CB 0.098 40.696 40.800 -0.336 0.000 0.927 307 D HN 0.140 nan 8.370 nan 0.000 0.519 308 I N 1.151 121.606 120.570 -0.191 0.000 2.494 308 I HA -0.036 4.135 4.170 0.001 0.000 0.289 308 I C 0.645 176.712 176.117 -0.084 0.000 1.106 308 I CA -0.202 61.000 61.300 -0.163 0.000 1.369 308 I CB 0.502 38.261 38.000 -0.402 0.000 1.410 308 I HN -0.130 nan 8.210 nan 0.000 0.523 309 S N 5.639 121.335 115.700 -0.007 0.000 2.525 309 S HA 0.011 4.482 4.470 0.001 0.000 0.285 309 S C 0.541 175.146 174.600 0.008 0.000 1.283 309 S CA -0.796 57.411 58.200 0.011 0.000 1.072 309 S CB -0.114 63.110 63.200 0.040 0.000 0.867 309 S HN 0.682 nan 8.310 nan 0.000 0.492 310 N N 4.343 123.048 118.700 0.008 0.000 2.744 310 N HA 0.183 4.924 4.740 0.001 0.000 0.290 310 N C -0.892 174.639 175.510 0.034 0.000 1.206 310 N CA -0.047 53.016 53.050 0.022 0.000 1.119 310 N CB -0.123 38.379 38.487 0.024 0.000 1.449 310 N HN 0.457 nan 8.380 nan 0.000 0.514 311 K N -0.045 120.380 120.400 0.042 0.000 2.422 311 K HA 0.457 4.778 4.320 0.001 0.000 0.251 311 K C 0.153 176.789 176.600 0.060 0.000 0.933 311 K CA -1.182 55.133 56.287 0.047 0.000 0.798 311 K CB 2.066 34.592 32.500 0.044 0.000 1.238 311 K HN 0.376 nan 8.250 nan 0.000 0.428 312 G N 2.171 111.006 108.800 0.058 0.000 3.284 312 G HA2 0.182 4.143 3.960 0.001 0.000 0.251 312 G HA3 0.182 4.143 3.960 0.001 0.000 0.251 312 G C 0.626 175.571 174.900 0.075 0.000 0.913 312 G CA -0.349 44.792 45.100 0.068 0.000 1.947 312 G HN 0.421 nan 8.290 nan 0.000 0.635 313 V N -0.626 119.335 119.914 0.078 0.000 3.552 313 V HA 0.202 4.323 4.120 0.001 0.000 0.296 313 V C 0.644 176.798 176.094 0.099 0.000 1.193 313 V CA -0.138 62.210 62.300 0.079 0.000 1.314 313 V CB 0.332 32.199 31.823 0.073 0.000 1.053 313 V HN 0.286 nan 8.190 nan 0.000 0.507 314 I N 0.623 121.250 120.570 0.096 0.000 2.910 314 I HA 0.507 4.678 4.170 0.001 0.000 0.310 314 I C -0.541 175.664 176.117 0.147 0.000 1.043 314 I CA -0.565 60.806 61.300 0.118 0.000 1.053 314 I CB 1.911 39.965 38.000 0.090 0.000 1.242 314 I HN 0.688 nan 8.210 nan 0.000 0.452 315 F N 2.546 122.465 119.950 -0.052 0.000 2.399 315 F HA 0.389 4.917 4.527 0.001 0.000 0.334 315 F C -0.379 175.263 175.800 -0.265 0.000 1.097 315 F CA -0.317 57.622 58.000 -0.101 0.000 1.076 315 F CB 0.989 39.892 39.000 -0.163 0.000 1.162 315 F HN 0.285 nan 8.300 nan 0.000 0.495 316 D N 4.463 124.395 120.400 -0.780 0.000 2.473 316 D HA 0.156 4.796 4.640 0.001 0.000 0.253 316 D C 0.139 175.915 176.300 -0.873 0.000 1.233 316 D CA -0.274 53.340 54.000 -0.644 0.000 0.908 316 D CB 0.504 41.144 40.800 -0.267 0.000 1.170 316 D HN 0.395 nan 8.370 nan 0.000 0.558 317 Y N 1.935 122.024 120.300 -0.352 0.000 2.145 317 Y HA -0.195 4.356 4.550 0.002 0.000 0.286 317 Y C 2.333 178.098 175.900 -0.224 0.000 1.145 317 Y CA 1.094 59.059 58.100 -0.226 0.000 1.148 317 Y CB -0.561 37.957 38.460 0.097 0.000 0.981 317 Y HN 0.465 nan 8.280 nan 0.000 0.507 318 Q N 0.004 119.809 119.800 0.008 0.000 2.173 318 Q HA -0.278 4.063 4.340 0.001 0.000 0.208 318 Q C 2.137 178.094 176.000 -0.072 0.000 0.989 318 Q CA 1.962 57.758 55.803 -0.011 0.000 0.872 318 Q CB -0.224 28.507 28.738 -0.011 0.000 0.909 318 Q HN 0.255 nan 8.270 nan 0.000 0.420 319 K N 0.752 121.025 120.400 -0.213 0.000 2.076 319 K HA -0.094 4.226 4.320 0.001 0.000 0.204 319 K C 1.745 178.149 176.600 -0.327 0.000 1.051 319 K CA 0.534 56.707 56.287 -0.191 0.000 0.949 319 K CB -0.345 32.029 32.500 -0.209 0.000 0.726 319 K HN 0.119 nan 8.250 nan 0.000 0.443 320 L N 1.571 122.331 121.223 -0.773 0.000 2.017 320 L HA -0.080 4.260 4.340 0.001 0.000 0.208 320 L C 2.122 178.824 176.870 -0.279 0.000 1.073 320 L CA 2.069 56.465 54.840 -0.741 0.000 0.745 320 L CB -0.758 40.811 42.059 -0.817 0.000 0.894 320 L HN 0.435 nan 8.230 nan 0.000 0.432 321 E N -1.596 118.522 120.200 -0.137 0.000 2.110 321 E HA -0.300 4.051 4.350 0.001 0.000 0.193 321 E C 1.984 178.591 176.600 0.013 0.000 0.988 321 E CA 1.425 57.809 56.400 -0.027 0.000 0.804 321 E CB -0.442 29.281 29.700 0.038 0.000 0.745 321 E HN 0.648 nan 8.360 nan 0.000 0.458 322 W N 0.639 121.857 121.300 -0.137 0.000 2.354 322 W HA -0.208 4.453 4.660 0.001 0.000 0.315 322 W C 1.936 178.401 176.519 -0.090 0.000 1.206 322 W CA 1.593 58.877 57.345 -0.101 0.000 1.290 322 W CB -0.698 28.700 29.460 -0.103 0.000 1.152 322 W HN -0.098 nan 8.180 nan 0.000 0.489 323 V N 1.577 121.327 119.914 -0.272 0.000 2.343 323 V HA -0.363 3.758 4.120 0.001 0.000 0.247 323 V C 2.220 178.144 176.094 -0.284 0.000 1.051 323 V CA 2.327 64.357 62.300 -0.450 0.000 1.036 323 V CB -1.478 30.197 31.823 -0.248 0.000 0.654 323 V HN 0.374 nan 8.190 nan 0.000 0.451 324 N N 1.126 119.694 118.700 -0.220 0.000 2.018 324 N HA -0.174 4.567 4.740 0.001 0.000 0.196 324 N C 1.879 177.312 175.510 -0.129 0.000 1.043 324 N CA 2.136 55.080 53.050 -0.177 0.000 0.856 324 N CB -0.726 37.686 38.487 -0.125 0.000 1.042 324 N HN 0.394 nan 8.380 nan 0.000 0.423 325 G N 0.427 109.141 108.800 -0.144 0.000 2.450 325 G HA2 -0.237 3.724 3.960 0.001 0.000 0.220 325 G HA3 -0.237 3.724 3.960 0.001 0.000 0.220 325 G C 1.445 176.247 174.900 -0.163 0.000 1.130 325 G CA 0.660 45.681 45.100 -0.132 0.000 0.760 325 G HN 0.261 nan 8.290 nan 0.000 0.557 326 K N 0.297 120.539 120.400 -0.263 0.000 2.218 326 K HA -0.123 4.198 4.320 0.001 0.000 0.205 326 K C 1.992 178.469 176.600 -0.205 0.000 1.046 326 K CA 1.258 57.363 56.287 -0.303 0.000 0.933 326 K CB -0.419 31.784 32.500 -0.495 0.000 0.728 326 K HN 0.439 nan 8.250 nan 0.000 0.454 327 H N 0.084 119.017 119.070 -0.229 0.000 2.415 327 H HA 0.195 4.752 4.556 0.001 0.000 0.297 327 H C 2.055 177.300 175.328 -0.140 0.000 1.048 327 H CA 0.965 56.911 56.048 -0.170 0.000 1.365 327 H CB -0.085 29.582 29.762 -0.159 0.000 1.421 327 H HN 0.034 nan 8.280 nan 0.000 0.533 328 M N 0.024 119.612 119.600 -0.021 0.000 2.144 328 M HA -0.233 4.248 4.480 0.001 0.000 0.260 328 M C 1.907 178.151 176.300 -0.093 0.000 1.067 328 M CA 1.806 57.068 55.300 -0.063 0.000 1.095 328 M CB -0.152 32.395 32.600 -0.089 0.000 1.365 328 M HN 0.248 nan 8.290 nan 0.000 0.406 329 R N -0.710 119.723 120.500 -0.111 0.000 2.080 329 R HA -0.014 4.327 4.340 0.001 0.000 0.222 329 R C 2.304 178.531 176.300 -0.122 0.000 1.107 329 R CA 0.897 56.925 56.100 -0.120 0.000 0.980 329 R CB -0.437 29.790 30.300 -0.123 0.000 0.879 329 R HN 0.369 nan 8.270 nan 0.000 0.439 330 R N 2.192 122.601 120.500 -0.150 0.000 2.113 330 R HA -0.108 4.233 4.340 0.001 0.000 0.231 330 R C 1.024 177.253 176.300 -0.119 0.000 1.129 330 R CA 1.505 57.507 56.100 -0.164 0.000 0.915 330 R CB -0.859 29.278 30.300 -0.271 0.000 0.837 330 R HN 0.215 nan 8.270 nan 0.000 0.430 331 I N 1.335 121.846 120.570 -0.099 0.000 2.948 331 I HA -0.038 4.133 4.170 0.001 0.000 0.303 331 I C -0.133 175.946 176.117 -0.064 0.000 1.224 331 I CA -0.180 61.082 61.300 -0.063 0.000 1.442 331 I CB 0.146 38.127 38.000 -0.030 0.000 1.328 331 I HN 0.229 nan 8.210 nan 0.000 0.578 332 D N 4.347 124.716 120.400 -0.053 0.000 2.423 332 D HA 0.069 4.710 4.640 0.001 0.000 0.238 332 D C 1.102 177.368 176.300 -0.057 0.000 1.142 332 D CA -0.100 53.868 54.000 -0.054 0.000 0.884 332 D CB 0.929 41.705 40.800 -0.041 0.000 1.199 332 D HN 0.635 nan 8.370 nan 0.000 0.438 333 L N 2.034 123.212 121.223 -0.075 0.000 2.197 333 L HA -0.191 4.150 4.340 0.001 0.000 0.215 333 L C 2.178 179.013 176.870 -0.059 0.000 1.095 333 L CA 0.997 55.778 54.840 -0.097 0.000 0.764 333 L CB -0.496 41.486 42.059 -0.128 0.000 0.897 333 L HN 0.559 nan 8.230 nan 0.000 0.436 334 E N 0.215 120.395 120.200 -0.033 0.000 2.012 334 E HA -0.280 4.071 4.350 0.001 0.000 0.197 334 E C 1.782 178.395 176.600 0.022 0.000 1.007 334 E CA 1.884 58.284 56.400 -0.000 0.000 0.816 334 E CB -0.354 29.345 29.700 -0.000 0.000 0.762 334 E HN 0.473 nan 8.360 nan 0.000 0.451 335 D N 0.167 120.573 120.400 0.010 0.000 2.144 335 D HA -0.155 4.486 4.640 0.001 0.000 0.199 335 D C 2.072 178.399 176.300 0.045 0.000 0.984 335 D CA 0.538 54.552 54.000 0.023 0.000 0.834 335 D CB -0.105 40.697 40.800 0.003 0.000 0.955 335 D HN 0.024 nan 8.370 nan 0.000 0.465 336 L N 1.054 122.289 121.223 0.021 0.000 2.012 336 L HA -0.139 4.202 4.340 0.001 0.000 0.210 336 L C 2.143 179.091 176.870 0.130 0.000 1.073 336 L CA 1.887 56.746 54.840 0.032 0.000 0.748 336 L CB -0.656 41.370 42.059 -0.056 0.000 0.891 336 L HN -0.041 nan 8.230 nan 0.000 0.431 337 K N -0.867 119.604 120.400 0.118 0.000 2.147 337 K HA -0.181 4.140 4.320 0.001 0.000 0.205 337 K C 2.248 179.026 176.600 0.297 0.000 1.049 337 K CA 1.251 57.700 56.287 0.270 0.000 0.936 337 K CB -0.028 32.602 32.500 0.218 0.000 0.722 337 K HN 0.346 nan 8.250 nan 0.000 0.446 338 R N 0.236 120.848 120.500 0.186 0.000 2.090 338 R HA -0.066 4.275 4.340 0.001 0.000 0.228 338 R C 1.849 178.253 176.300 0.174 0.000 1.110 338 R CA 1.344 57.537 56.100 0.155 0.000 0.973 338 R CB 0.029 30.386 30.300 0.094 0.000 0.869 338 R HN 0.314 nan 8.270 nan 0.000 0.440 339 E N -0.652 119.658 120.200 0.183 0.000 2.385 339 E HA -0.082 4.269 4.350 0.001 0.000 0.194 339 E C 1.211 177.992 176.600 0.302 0.000 1.013 339 E CA 0.284 56.803 56.400 0.198 0.000 0.866 339 E CB 0.145 29.921 29.700 0.127 0.000 0.832 339 E HN 0.180 nan 8.360 nan 0.000 0.500 340 F N 1.188 121.248 119.950 0.182 0.000 2.147 340 F HA 0.020 4.548 4.527 0.001 0.000 0.291 340 F C 1.861 177.878 175.800 0.362 0.000 1.093 340 F CA 0.920 59.071 58.000 0.250 0.000 1.263 340 F CB -0.038 39.105 39.000 0.237 0.000 1.036 340 F HN -0.140 nan 8.300 nan 0.000 0.481 341 I N 0.424 121.158 120.570 0.274 0.000 2.142 341 I HA -0.274 3.897 4.170 0.001 0.000 0.240 341 I C 2.206 178.353 176.117 0.050 0.000 1.078 341 I CA 1.720 63.078 61.300 0.097 0.000 1.343 341 I CB -0.707 37.389 38.000 0.161 0.000 1.046 341 I HN 0.173 nan 8.210 nan 0.000 0.405 342 E N 0.016 120.289 120.200 0.122 0.000 2.160 342 E HA -0.292 4.059 4.350 0.001 0.000 0.195 342 E C 1.812 178.484 176.600 0.119 0.000 0.991 342 E CA 1.619 58.082 56.400 0.105 0.000 0.810 342 E CB -0.253 29.528 29.700 0.135 0.000 0.742 342 E HN 0.586 nan 8.360 nan 0.000 0.466 343 W N 1.665 122.951 121.300 -0.023 0.000 2.353 343 W HA -0.190 4.471 4.660 0.001 0.000 0.319 343 W C 2.420 178.870 176.519 -0.115 0.000 1.207 343 W CA 2.081 59.408 57.345 -0.030 0.000 1.291 343 W CB -0.648 28.772 29.460 -0.066 0.000 1.159 343 W HN -0.021 nan 8.180 nan 0.000 0.478 344 A N 0.463 122.973 122.820 -0.517 0.000 2.076 344 A HA -0.249 4.071 4.320 0.001 0.000 0.220 344 A C 2.042 179.298 177.584 -0.546 0.000 1.160 344 A CA 2.037 53.540 52.037 -0.890 0.000 0.653 344 A CB -0.965 17.652 19.000 -0.639 0.000 0.801 344 A HN 0.497 nan 8.150 nan 0.000 0.455 345 K N -2.156 118.069 120.400 -0.293 0.000 2.217 345 K HA -0.130 4.191 4.320 0.001 0.000 0.202 345 K C 1.592 178.104 176.600 -0.146 0.000 1.051 345 K CA 1.308 57.495 56.287 -0.168 0.000 0.952 345 K CB -0.219 32.246 32.500 -0.058 0.000 0.736 345 K HN 0.530 nan 8.250 nan 0.000 0.453 346 Y N 0.100 120.204 120.300 -0.326 0.000 2.500 346 Y HA 0.255 4.806 4.550 0.001 0.000 0.270 346 Y C 1.435 177.085 175.900 -0.417 0.000 1.134 346 Y CA 0.123 58.042 58.100 -0.301 0.000 1.293 346 Y CB 0.189 38.510 38.460 -0.233 0.000 1.063 346 Y HN 0.111 nan 8.280 nan 0.000 0.534 347 A N -0.578 121.841 122.820 -0.669 0.000 1.849 347 A HA 0.494 4.814 4.320 0.001 0.000 0.214 347 A C 1.797 179.047 177.584 -0.556 0.000 1.269 347 A CA 1.613 53.178 52.037 -0.787 0.000 0.605 347 A CB -1.003 17.232 19.000 -1.274 0.000 0.937 347 A HN 0.521 nan 8.150 nan 0.000 0.461 348 G N -0.574 107.926 108.800 -0.499 0.000 2.302 348 G HA2 0.173 4.134 3.960 0.001 0.000 0.108 348 G HA3 0.173 4.134 3.960 0.001 0.000 0.108 348 G C -0.406 174.328 174.900 -0.276 0.000 0.930 348 G CA 0.136 45.036 45.100 -0.334 0.000 1.168 348 G HN 0.674 nan 8.290 nan 0.000 0.398 349 K N 2.410 122.663 120.400 -0.246 0.000 2.336 349 K HA 0.351 4.672 4.320 0.001 0.000 0.262 349 K C -0.137 176.364 176.600 -0.165 0.000 0.992 349 K CA 0.620 56.821 56.287 -0.144 0.000 0.927 349 K CB 0.901 33.368 32.500 -0.055 0.000 0.956 349 K HN 0.831 nan 8.250 nan 0.000 0.495 350 E N 0.770 120.946 120.200 -0.039 0.000 2.392 350 E HA 0.452 4.803 4.350 0.001 0.000 0.269 350 E C -0.668 176.012 176.600 0.133 0.000 0.924 350 E CA -1.121 55.272 56.400 -0.012 0.000 0.784 350 E CB 1.112 30.781 29.700 -0.051 0.000 1.292 350 E HN 0.314 nan 8.360 nan 0.000 0.447 351 I N 2.002 122.657 120.570 0.141 0.000 2.365 351 I HA 0.260 4.431 4.170 0.001 0.000 0.291 351 I C -1.846 174.311 176.117 0.067 0.000 1.004 351 I CA -2.215 59.186 61.300 0.168 0.000 1.311 351 I CB 0.077 38.177 38.000 0.167 0.000 1.401 351 I HN 0.530 nan 8.210 nan 0.000 0.491 352 P HA -0.070 nan 4.420 nan 0.000 0.272 352 P C 0.055 177.365 177.300 0.015 0.000 1.239 352 P CA -0.113 63.005 63.100 0.029 0.000 0.807 352 P CB 0.382 32.092 31.700 0.017 0.000 0.951 353 S N 0.319 116.024 115.700 0.009 0.000 2.611 353 S HA 0.196 4.667 4.470 0.001 0.000 0.317 353 S C 0.001 174.615 174.600 0.022 0.000 1.208 353 S CA -0.645 57.561 58.200 0.010 0.000 1.217 353 S CB -1.464 61.739 63.200 0.005 0.000 1.085 353 S HN 0.284 nan 8.310 nan 0.000 0.529 354 V N 2.813 122.753 119.914 0.042 0.000 2.732 354 V HA 0.580 4.701 4.120 0.001 0.000 0.310 354 V C 0.199 176.373 176.094 0.133 0.000 1.053 354 V CA -1.323 61.041 62.300 0.107 0.000 0.957 354 V CB 1.505 33.425 31.823 0.162 0.000 1.018 354 V HN 0.649 nan 8.190 nan 0.000 0.452 355 D N 2.194 122.699 120.400 0.175 0.000 2.455 355 D HA 0.065 4.706 4.640 0.001 0.000 0.241 355 D C 1.188 177.619 176.300 0.217 0.000 1.138 355 D CA 0.098 54.197 54.000 0.165 0.000 0.877 355 D CB 1.277 42.173 40.800 0.160 0.000 1.187 355 D HN 0.689 nan 8.370 nan 0.000 0.451 356 E N 3.079 123.373 120.200 0.157 0.000 2.333 356 E HA -0.198 4.153 4.350 0.001 0.000 0.198 356 E C 1.541 178.239 176.600 0.162 0.000 1.007 356 E CA 0.708 57.205 56.400 0.161 0.000 0.845 356 E CB 0.141 29.906 29.700 0.108 0.000 0.766 356 E HN 0.410 nan 8.360 nan 0.000 0.507 357 R N -0.405 120.190 120.500 0.159 0.000 2.087 357 R HA -0.035 4.306 4.340 0.001 0.000 0.213 357 R C 2.148 178.549 176.300 0.168 0.000 1.137 357 R CA 0.469 56.648 56.100 0.131 0.000 1.022 357 R CB -0.911 29.454 30.300 0.108 0.000 0.920 357 R HN 0.050 nan 8.270 nan 0.000 0.451 358 Y N 0.535 120.892 120.300 0.094 0.000 2.014 358 Y HA -0.312 4.239 4.550 0.001 0.000 0.272 358 Y C 1.864 177.857 175.900 0.155 0.000 1.164 358 Y CA 2.395 60.562 58.100 0.112 0.000 1.114 358 Y CB -0.995 37.536 38.460 0.118 0.000 0.961 358 Y HN 0.191 nan 8.280 nan 0.000 0.489 359 F N 0.668 120.643 119.950 0.042 0.000 2.192 359 F HA -0.195 4.333 4.527 0.001 0.000 0.301 359 F C 2.206 177.956 175.800 -0.084 0.000 1.079 359 F CA 1.950 59.920 58.000 -0.050 0.000 1.303 359 F CB -0.846 38.208 39.000 0.090 0.000 1.024 359 F HN -0.004 nan 8.300 nan 0.000 0.494 360 S N 0.159 115.768 115.700 -0.151 0.000 2.727 360 S HA -0.055 4.416 4.470 0.001 0.000 0.226 360 S C 1.482 175.936 174.600 -0.243 0.000 0.963 360 S CA 0.564 58.615 58.200 -0.247 0.000 0.950 360 S CB -0.263 62.896 63.200 -0.069 0.000 0.779 360 S HN 0.474 nan 8.310 nan 0.000 0.532 361 E N 0.348 120.388 120.200 -0.268 0.000 2.520 361 E HA 0.011 4.362 4.350 0.001 0.000 0.201 361 E C 2.390 178.826 176.600 -0.274 0.000 0.894 361 E CA 1.276 57.546 56.400 -0.215 0.000 1.161 361 E CB -1.052 28.565 29.700 -0.138 0.000 1.137 361 E HN 0.564 nan 8.360 nan 0.000 0.510 362 T N 1.544 115.889 114.554 -0.348 0.000 2.652 362 T HA -0.189 4.162 4.350 0.001 0.000 0.267 362 T C 2.036 176.487 174.700 -0.415 0.000 1.039 362 T CA 1.502 63.386 62.100 -0.360 0.000 1.153 362 T CB -0.630 68.029 68.868 -0.347 0.000 0.863 362 T HN 0.049 nan 8.240 nan 0.000 0.428 363 L N 1.483 122.393 121.223 -0.522 0.000 2.189 363 L HA 0.058 4.399 4.340 0.001 0.000 0.214 363 L C 2.688 179.306 176.870 -0.420 0.000 1.097 363 L CA 1.708 56.205 54.840 -0.571 0.000 0.764 363 L CB -0.844 40.687 42.059 -0.880 0.000 0.900 363 L HN 0.301 nan 8.230 nan 0.000 0.436 364 R N -0.829 119.460 120.500 -0.352 0.000 2.189 364 R HA -0.021 4.320 4.340 0.001 0.000 0.218 364 R C 1.817 177.996 176.300 -0.202 0.000 1.074 364 R CA 1.326 57.279 56.100 -0.246 0.000 0.991 364 R CB -0.072 30.110 30.300 -0.197 0.000 0.883 364 R HN 0.525 nan 8.270 nan 0.000 0.457 365 I N -1.265 119.173 120.570 -0.221 0.000 3.939 365 I HA -0.061 4.110 4.170 0.001 0.000 0.313 365 I C 1.516 177.504 176.117 -0.216 0.000 1.274 365 I CA -0.134 61.059 61.300 -0.179 0.000 1.301 365 I CB 0.492 38.407 38.000 -0.141 0.000 1.105 365 I HN 0.161 nan 8.210 nan 0.000 0.427 366 C N 1.264 120.388 119.300 -0.293 0.000 2.495 366 C HA -0.017 4.444 4.460 0.001 0.000 0.275 366 C C 2.769 177.616 174.990 -0.238 0.000 1.392 366 C CA 0.336 59.172 59.018 -0.303 0.000 1.766 366 C CB -1.118 26.387 27.740 -0.391 0.000 1.933 366 C HN 0.521 nan 8.230 nan 0.000 0.519 367 R N 1.302 121.658 120.500 -0.239 0.000 2.235 367 R HA -0.005 4.336 4.340 0.001 0.000 0.213 367 R C 1.121 177.334 176.300 -0.147 0.000 1.059 367 R CA 1.237 57.218 56.100 -0.199 0.000 0.997 367 R CB -0.390 29.786 30.300 -0.207 0.000 0.884 367 R HN 0.376 nan 8.270 nan 0.000 0.462 368 E N 0.933 121.052 120.200 -0.136 0.000 2.476 368 E HA 0.027 4.378 4.350 0.001 0.000 0.191 368 E C 0.209 176.759 176.600 -0.083 0.000 1.064 368 E CA 0.327 56.667 56.400 -0.100 0.000 0.866 368 E CB 0.569 30.216 29.700 -0.088 0.000 0.952 368 E HN 0.292 nan 8.360 nan 0.000 0.492 369 K N 0.159 120.502 120.400 -0.095 0.000 2.501 369 K HA 0.189 4.510 4.320 0.001 0.000 0.204 369 K C 0.461 177.022 176.600 -0.064 0.000 1.067 369 K CA -0.106 56.136 56.287 -0.075 0.000 1.060 369 K CB 1.371 33.818 32.500 -0.089 0.000 0.873 369 K HN -0.006 nan 8.250 nan 0.000 0.540 370 V N -2.745 117.127 119.914 -0.070 0.000 3.159 370 V HA 0.550 4.671 4.120 0.001 0.000 0.308 370 V C -0.174 175.886 176.094 -0.056 0.000 1.190 370 V CA -0.954 61.312 62.300 -0.057 0.000 1.037 370 V CB 2.274 34.055 31.823 -0.069 0.000 1.060 370 V HN -0.079 nan 8.190 nan 0.000 0.437 371 N N 0.484 119.160 118.700 -0.041 0.000 2.159 371 N HA 0.202 4.943 4.740 0.001 0.000 0.217 371 N C 0.268 175.743 175.510 -0.058 0.000 1.223 371 N CA 0.866 53.889 53.050 -0.045 0.000 0.896 371 N CB 1.361 39.846 38.487 -0.002 0.000 1.064 371 N HN 1.059 nan 8.380 nan 0.000 0.518 372 T N -3.194 111.318 114.554 -0.069 0.000 2.865 372 T HA 0.474 4.824 4.350 0.001 0.000 0.294 372 T C 0.960 175.551 174.700 -0.181 0.000 1.119 372 T CA -0.662 61.377 62.100 -0.102 0.000 1.007 372 T CB 1.220 70.051 68.868 -0.062 0.000 1.225 372 T HN -0.178 nan 8.240 nan 0.000 0.515 373 L N 0.800 121.807 121.223 -0.359 0.000 2.313 373 L HA 0.090 4.430 4.340 0.001 0.000 0.214 373 L C 2.860 179.187 176.870 -0.904 0.000 1.119 373 L CA 0.755 55.168 54.840 -0.711 0.000 0.809 373 L CB -0.374 40.876 42.059 -1.348 0.000 0.933 373 L HN 0.845 nan 8.230 nan 0.000 0.449 374 S N -0.405 115.032 115.700 -0.440 0.000 2.395 374 S HA -0.147 4.324 4.470 0.001 0.000 0.225 374 S C 1.924 176.603 174.600 0.132 0.000 1.027 374 S CA 1.054 59.275 58.200 0.035 0.000 0.965 374 S CB 0.104 63.414 63.200 0.184 0.000 0.812 374 S HN 0.440 nan 8.310 nan 0.000 0.482 375 Q N 0.159 119.979 119.800 0.033 0.000 2.049 375 Q HA -0.007 4.333 4.340 0.001 0.000 0.198 375 Q C 2.143 178.179 176.000 0.060 0.000 0.971 375 Q CA 1.271 57.103 55.803 0.048 0.000 0.833 375 Q CB -0.364 28.378 28.738 0.006 0.000 0.896 375 Q HN 0.439 nan 8.270 nan 0.000 0.434 376 L N 0.180 121.422 121.223 0.031 0.000 2.261 376 L HA -0.209 4.131 4.340 0.001 0.000 0.216 376 L C 1.917 178.929 176.870 0.237 0.000 1.114 376 L CA 1.636 56.499 54.840 0.037 0.000 0.777 376 L CB -0.460 41.580 42.059 -0.032 0.000 0.910 376 L HN 0.217 nan 8.230 nan 0.000 0.440 377 Y N 0.042 120.496 120.300 0.257 0.000 2.190 377 Y HA -0.070 4.481 4.550 0.001 0.000 0.290 377 Y C 2.190 178.268 175.900 0.297 0.000 1.115 377 Y CA 1.546 59.905 58.100 0.432 0.000 1.107 377 Y CB -0.476 38.301 38.460 0.528 0.000 1.033 377 Y HN 0.215 nan 8.280 nan 0.000 0.502 378 D N 0.288 120.734 120.400 0.078 0.000 2.354 378 D HA -0.158 4.483 4.640 0.001 0.000 0.216 378 D C 1.766 178.055 176.300 -0.019 0.000 0.970 378 D CA 1.307 55.263 54.000 -0.073 0.000 0.905 378 D CB 0.033 40.866 40.800 0.054 0.000 0.903 378 D HN 0.415 nan 8.370 nan 0.000 0.508 379 I N -0.272 120.304 120.570 0.009 0.000 3.708 379 I HA 0.074 4.245 4.170 0.001 0.000 0.302 379 I C 1.682 177.780 176.117 -0.032 0.000 1.255 379 I CA 0.354 61.648 61.300 -0.010 0.000 1.362 379 I CB 0.189 38.162 38.000 -0.046 0.000 1.100 379 I HN -0.186 nan 8.210 nan 0.000 0.434 380 M N -1.388 118.199 119.600 -0.023 0.000 2.495 380 M HA -0.012 4.469 4.480 0.001 0.000 0.237 380 M C 1.441 177.829 176.300 0.148 0.000 1.131 380 M CA 0.428 55.700 55.300 -0.046 0.000 1.032 380 M CB 0.025 32.627 32.600 0.002 0.000 1.513 380 M HN 0.293 nan 8.290 nan 0.000 0.488 381 Y N 2.559 122.836 120.300 -0.038 0.000 2.163 381 Y HA -0.019 4.532 4.550 0.001 0.000 0.288 381 Y C -0.926 175.053 175.900 0.133 0.000 1.136 381 Y CA 1.657 59.731 58.100 -0.043 0.000 1.147 381 Y CB -1.362 36.975 38.460 -0.204 0.000 0.987 381 Y HN 0.239 nan 8.280 nan 0.000 0.509 382 P HA -0.177 nan 4.420 nan 0.000 0.223 382 P C 1.019 178.376 177.300 0.094 0.000 1.144 382 P CA 1.540 64.694 63.100 0.091 0.000 0.783 382 P CB -0.331 31.287 31.700 -0.136 0.000 0.771 383 F N -1.179 118.762 119.950 -0.014 0.000 2.664 383 F HA 0.152 4.680 4.527 0.002 0.000 0.296 383 F C 2.412 178.328 175.800 0.194 0.000 1.125 383 F CA 0.742 58.795 58.000 0.088 0.000 1.444 383 F CB -0.584 38.434 39.000 0.030 0.000 1.114 383 F HN -0.202 nan 8.300 nan 0.000 0.576 384 M N -1.108 118.633 119.600 0.235 0.000 2.501 384 M HA 0.140 4.621 4.480 0.001 0.000 0.261 384 M C -0.064 176.215 176.300 -0.034 0.000 1.129 384 M CA 0.751 56.140 55.300 0.149 0.000 1.126 384 M CB -0.509 32.144 32.600 0.089 0.000 1.359 384 M HN -0.063 nan 8.290 nan 0.000 0.471 385 N N -0.260 118.338 118.700 -0.169 0.000 2.853 385 N HA 0.227 4.968 4.740 0.001 0.000 0.258 385 N C -0.842 174.593 175.510 -0.125 0.000 1.444 385 N CA -0.451 52.476 53.050 -0.206 0.000 0.837 385 N CB 1.339 39.587 38.487 -0.399 0.000 1.489 385 N HN -0.081 nan 8.380 nan 0.000 0.529 386 D N -0.088 120.206 120.400 -0.177 0.000 2.462 386 D HA 0.067 4.708 4.640 0.001 0.000 0.221 386 D C -0.176 175.843 176.300 -0.467 0.000 1.173 386 D CA 0.207 54.033 54.000 -0.291 0.000 0.831 386 D CB 0.260 40.941 40.800 -0.198 0.000 1.001 386 D HN 0.577 nan 8.370 nan 0.000 0.499 387 D N -0.703 119.501 120.400 -0.327 0.000 2.402 387 D HA -0.049 4.592 4.640 0.001 0.000 0.216 387 D C 0.755 176.955 176.300 -0.167 0.000 1.128 387 D CA -0.544 53.317 54.000 -0.232 0.000 0.833 387 D CB -0.428 40.335 40.800 -0.061 0.000 0.971 387 D HN 0.122 nan 8.370 nan 0.000 0.503 388 Y N 0.426 120.687 120.300 -0.066 0.000 2.546 388 Y HA 0.397 4.948 4.550 0.001 0.000 0.351 388 Y C 0.241 176.060 175.900 -0.134 0.000 1.266 388 Y CA -1.045 57.022 58.100 -0.055 0.000 1.487 388 Y CB 0.296 38.667 38.460 -0.148 0.000 1.365 388 Y HN -0.103 nan 8.280 nan 0.000 0.642 389 E N 0.226 120.529 120.200 0.172 0.000 2.299 389 E HA 0.328 4.679 4.350 0.001 0.000 0.265 389 E C -1.740 174.868 176.600 0.013 0.000 0.911 389 E CA -1.144 55.315 56.400 0.098 0.000 0.789 389 E CB 1.462 31.230 29.700 0.114 0.000 1.246 389 E HN 0.591 nan 8.360 nan 0.000 0.427 390 Y N 1.148 121.518 120.300 0.116 0.000 2.327 390 Y HA 0.140 4.691 4.550 0.001 0.000 0.336 390 Y C 0.704 176.694 175.900 0.150 0.000 1.035 390 Y CA -0.589 57.600 58.100 0.147 0.000 1.165 390 Y CB 0.418 39.067 38.460 0.316 0.000 1.181 390 Y HN 0.320 nan 8.280 nan 0.000 0.494 391 E N 1.719 122.041 120.200 0.203 0.000 2.459 391 E HA -0.140 4.211 4.350 0.001 0.000 0.264 391 E C 0.916 177.630 176.600 0.190 0.000 1.055 391 E CA -0.071 56.414 56.400 0.143 0.000 0.957 391 E CB 0.691 30.423 29.700 0.054 0.000 0.952 391 E HN 0.503 nan 8.360 nan 0.000 0.448 392 K N 2.313 122.798 120.400 0.142 0.000 2.160 392 K HA -0.214 4.107 4.320 0.001 0.000 0.206 392 K C 1.009 177.694 176.600 0.140 0.000 1.047 392 K CA 1.754 58.123 56.287 0.137 0.000 0.930 392 K CB 0.011 32.572 32.500 0.102 0.000 0.720 392 K HN 0.446 nan 8.250 nan 0.000 0.450 393 D N -0.920 119.557 120.400 0.128 0.000 2.077 393 D HA -0.189 4.452 4.640 0.001 0.000 0.196 393 D C 1.739 178.157 176.300 0.197 0.000 0.986 393 D CA 1.226 55.321 54.000 0.158 0.000 0.829 393 D CB -0.526 40.333 40.800 0.099 0.000 0.983 393 D HN 0.239 nan 8.370 nan 0.000 0.453 394 Y N 2.062 122.298 120.300 -0.107 0.000 2.298 394 Y HA -0.239 4.312 4.550 0.001 0.000 0.287 394 Y C 2.008 178.005 175.900 0.160 0.000 1.164 394 Y CA 0.831 58.876 58.100 -0.092 0.000 1.229 394 Y CB -0.271 38.147 38.460 -0.070 0.000 0.977 394 Y HN -0.214 nan 8.280 nan 0.000 0.538 395 V N -0.146 119.833 119.914 0.108 0.000 2.251 395 V HA -0.141 3.980 4.120 0.001 0.000 0.237 395 V C 1.122 177.213 176.094 -0.004 0.000 1.040 395 V CA 1.671 63.983 62.300 0.019 0.000 1.005 395 V CB -0.434 31.463 31.823 0.123 0.000 0.645 395 V HN 0.107 nan 8.190 nan 0.000 0.458 396 E N 0.541 120.776 120.200 0.058 0.000 2.325 396 E HA 0.218 4.569 4.350 0.001 0.000 0.295 396 E C 0.582 177.238 176.600 0.092 0.000 1.461 396 E CA 0.159 56.587 56.400 0.046 0.000 1.698 396 E CB 0.470 30.196 29.700 0.043 0.000 1.496 396 E HN 0.584 nan 8.360 nan 0.000 0.474 397 K N -1.181 119.298 120.400 0.132 0.000 2.116 397 K HA 0.012 4.333 4.320 0.001 0.000 0.125 397 K C 0.298 176.964 176.600 0.110 0.000 2.138 397 K CA 0.104 56.491 56.287 0.166 0.000 1.184 397 K CB -0.017 32.683 32.500 0.334 0.000 2.323 397 K HN 0.010 nan 8.250 nan 0.000 0.469 398 F N 0.418 120.331 119.950 -0.062 0.000 2.536 398 F HA 0.226 4.754 4.527 0.001 0.000 0.278 398 F C 1.752 177.423 175.800 -0.215 0.000 0.945 398 F CA 0.049 58.004 58.000 -0.075 0.000 1.244 398 F CB -0.334 38.705 39.000 0.065 0.000 1.118 398 F HN -0.034 nan 8.300 nan 0.000 0.725 399 L N 0.990 122.067 121.223 -0.244 0.000 2.179 399 L HA 0.000 4.341 4.340 0.001 0.000 0.208 399 L C 2.234 178.995 176.870 -0.182 0.000 1.096 399 L CA 1.649 56.291 54.840 -0.331 0.000 0.779 399 L CB -0.781 40.933 42.059 -0.574 0.000 0.922 399 L HN 0.090 nan 8.230 nan 0.000 0.443 400 K N 0.098 120.415 120.400 -0.138 0.000 2.211 400 K HA -0.148 4.172 4.320 0.001 0.000 0.204 400 K C 0.492 177.041 176.600 -0.085 0.000 1.047 400 K CA 0.493 56.717 56.287 -0.105 0.000 0.935 400 K CB 0.014 32.473 32.500 -0.068 0.000 0.728 400 K HN 0.285 nan 8.250 nan 0.000 0.452 401 R N 1.370 121.823 120.500 -0.079 0.000 2.623 401 R HA -0.067 4.274 4.340 0.001 0.000 0.271 401 R C 1.146 177.408 176.300 -0.064 0.000 1.043 401 R CA 0.054 56.112 56.100 -0.071 0.000 1.083 401 R CB 0.516 30.769 30.300 -0.078 0.000 0.974 401 R HN 0.321 nan 8.270 nan 0.000 0.436 402 E N 2.793 122.960 120.200 -0.055 0.000 2.012 402 E HA -0.261 4.090 4.350 0.001 0.000 0.197 402 E C 1.341 177.915 176.600 -0.043 0.000 1.007 402 E CA 1.676 58.047 56.400 -0.048 0.000 0.816 402 E CB 0.103 29.779 29.700 -0.041 0.000 0.762 402 E HN 0.674 nan 8.360 nan 0.000 0.451 403 E N 0.554 120.731 120.200 -0.040 0.000 2.393 403 E HA -0.200 4.150 4.350 0.001 0.000 0.201 403 E C 1.565 178.148 176.600 -0.029 0.000 1.025 403 E CA 1.073 57.453 56.400 -0.034 0.000 0.856 403 E CB -0.423 29.256 29.700 -0.035 0.000 0.771 403 E HN 0.337 nan 8.360 nan 0.000 0.526 404 A N 1.092 123.892 122.820 -0.033 0.000 2.248 404 A HA -0.151 4.169 4.320 0.001 0.000 0.210 404 A C 1.997 179.567 177.584 -0.023 0.000 1.174 404 A CA 1.177 53.201 52.037 -0.023 0.000 0.750 404 A CB -0.496 18.480 19.000 -0.041 0.000 0.780 404 A HN 0.430 nan 8.150 nan 0.000 0.478 405 E N 0.613 120.796 120.200 -0.029 0.000 2.022 405 E HA -0.178 4.173 4.350 0.001 0.000 0.190 405 E C 2.245 178.834 176.600 -0.018 0.000 0.973 405 E CA 0.713 57.097 56.400 -0.027 0.000 0.816 405 E CB -0.236 29.445 29.700 -0.031 0.000 0.781 405 E HN 0.665 nan 8.360 nan 0.000 0.456 406 R N 0.506 120.997 120.500 -0.016 0.000 2.139 406 R HA -0.118 4.223 4.340 0.001 0.000 0.243 406 R C 2.116 178.412 176.300 -0.007 0.000 1.145 406 R CA 1.625 57.719 56.100 -0.010 0.000 0.976 406 R CB -0.863 29.430 30.300 -0.011 0.000 0.866 406 R HN 0.104 nan 8.270 nan 0.000 0.449 407 V N 1.654 121.562 119.914 -0.010 0.000 2.490 407 V HA -0.181 3.940 4.120 0.001 0.000 0.250 407 V C 2.350 178.437 176.094 -0.011 0.000 1.061 407 V CA 1.588 63.884 62.300 -0.007 0.000 1.064 407 V CB -0.400 31.419 31.823 -0.007 0.000 0.670 407 V HN 0.315 nan 8.190 nan 0.000 0.461 408 L N -1.019 120.195 121.223 -0.014 0.000 2.202 408 L HA 0.040 4.381 4.340 0.001 0.000 0.205 408 L C 2.619 179.461 176.870 -0.047 0.000 1.083 408 L CA 0.681 55.499 54.840 -0.035 0.000 0.790 408 L CB -0.531 41.525 42.059 -0.004 0.000 0.942 408 L HN 0.224 nan 8.230 nan 0.000 0.452 409 E N 0.436 120.623 120.200 -0.021 0.000 2.153 409 E HA -0.257 4.094 4.350 0.001 0.000 0.194 409 E C 1.844 178.444 176.600 -0.001 0.000 0.988 409 E CA 1.134 57.528 56.400 -0.011 0.000 0.811 409 E CB 0.064 29.762 29.700 -0.004 0.000 0.746 409 E HN 0.340 nan 8.360 nan 0.000 0.466 410 E N 0.550 120.755 120.200 0.009 0.000 2.371 410 E HA 0.029 4.380 4.350 0.001 0.000 0.194 410 E C 1.450 178.099 176.600 0.083 0.000 1.012 410 E CA 0.718 57.148 56.400 0.049 0.000 0.860 410 E CB -0.056 29.677 29.700 0.056 0.000 0.811 410 E HN 0.147 nan 8.360 nan 0.000 0.502 411 A N 0.279 123.066 122.820 -0.055 0.000 2.235 411 A HA 0.018 4.339 4.320 0.001 0.000 0.208 411 A C 1.890 179.267 177.584 -0.346 0.000 1.172 411 A CA 0.790 52.584 52.037 -0.405 0.000 0.786 411 A CB -0.286 18.340 19.000 -0.624 0.000 0.804 411 A HN 0.141 nan 8.150 nan 0.000 0.479 412 K N -0.766 119.597 120.400 -0.062 0.000 2.367 412 K HA 0.151 4.472 4.320 0.001 0.000 0.195 412 K C 1.722 178.380 176.600 0.097 0.000 1.060 412 K CA 0.679 56.971 56.287 0.009 0.000 1.022 412 K CB 0.083 32.584 32.500 0.002 0.000 0.894 412 K HN 0.356 nan 8.250 nan 0.000 0.540 413 K N -0.535 119.939 120.400 0.124 0.000 2.306 413 K HA 0.194 4.515 4.320 0.001 0.000 0.200 413 K C 1.579 178.277 176.600 0.163 0.000 1.083 413 K CA 0.632 56.992 56.287 0.122 0.000 0.959 413 K CB 0.235 32.783 32.500 0.081 0.000 0.994 413 K HN 0.061 nan 8.250 nan 0.000 0.492 414 A N 0.105 123.062 122.820 0.228 0.000 2.209 414 A HA 0.029 4.350 4.320 0.001 0.000 0.212 414 A C 1.066 178.741 177.584 0.151 0.000 1.158 414 A CA 0.739 52.887 52.037 0.184 0.000 0.742 414 A CB -0.335 18.778 19.000 0.189 0.000 0.790 414 A HN 0.318 nan 8.150 nan 0.000 0.472 415 F N -1.090 118.868 119.950 0.012 0.000 2.720 415 F HA 0.262 4.789 4.527 0.001 0.000 0.301 415 F C 1.920 177.760 175.800 0.066 0.000 1.103 415 F CA 0.485 58.492 58.000 0.012 0.000 1.291 415 F CB 0.263 39.275 39.000 0.020 0.000 1.086 415 F HN 0.159 nan 8.300 nan 0.000 0.592 416 K N 0.120 120.661 120.400 0.235 0.000 2.262 416 K HA -0.014 4.307 4.320 0.001 0.000 0.200 416 K C 0.412 177.084 176.600 0.120 0.000 1.049 416 K CA 0.827 57.218 56.287 0.173 0.000 0.979 416 K CB 0.120 32.700 32.500 0.135 0.000 0.773 416 K HN -0.010 nan 8.250 nan 0.000 0.474 417 D N 1.537 121.991 120.400 0.089 0.000 2.413 417 D HA 0.032 4.673 4.640 0.001 0.000 0.237 417 D C -0.394 175.925 176.300 0.031 0.000 1.171 417 D CA 0.310 54.342 54.000 0.054 0.000 0.839 417 D CB 0.187 41.011 40.800 0.039 0.000 0.950 417 D HN 0.228 nan 8.370 nan 0.000 0.499 418 L N 2.552 123.802 121.223 0.046 0.000 2.352 418 L HA 0.135 4.475 4.340 0.001 0.000 0.272 418 L C 1.694 178.613 176.870 0.081 0.000 1.109 418 L CA -0.540 54.312 54.840 0.019 0.000 0.952 418 L CB 0.441 42.476 42.059 -0.041 0.000 1.314 418 L HN -0.058 nan 8.230 nan 0.000 0.427 419 N N 0.058 118.792 118.700 0.056 0.000 2.443 419 N HA -0.126 4.614 4.740 0.001 0.000 0.184 419 N C 0.628 176.191 175.510 0.089 0.000 1.037 419 N CA 0.332 53.423 53.050 0.068 0.000 0.896 419 N CB 0.295 38.807 38.487 0.042 0.000 0.959 419 N HN 0.443 nan 8.380 nan 0.000 0.442 420 S N -1.230 114.522 115.700 0.085 0.000 2.600 420 S HA 0.479 4.950 4.470 0.001 0.000 0.300 420 S C -2.118 172.588 174.600 0.177 0.000 1.087 420 S CA -0.810 57.457 58.200 0.112 0.000 0.965 420 S CB 1.288 64.521 63.200 0.054 0.000 1.089 420 S HN 0.370 nan 8.310 nan 0.000 0.496 421 W N 5.165 126.468 121.300 0.005 0.000 2.728 421 W HA 0.397 5.058 4.660 0.001 0.000 0.324 421 W C -1.125 175.405 176.519 0.019 0.000 1.012 421 W CA -0.552 56.801 57.345 0.013 0.000 1.279 421 W CB 0.959 30.435 29.460 0.026 0.000 1.289 421 W HN 1.069 nan 8.180 nan 0.000 0.418 422 N N 2.263 121.018 118.700 0.092 0.000 3.622 422 N HA 0.346 5.087 4.740 0.001 0.000 0.352 422 N C 0.607 176.133 175.510 0.027 0.000 1.559 422 N CA -0.491 52.630 53.050 0.119 0.000 0.801 422 N CB 0.721 39.257 38.487 0.081 0.000 2.399 422 N HN 0.116 nan 8.380 nan 0.000 0.545 423 M N -0.380 119.242 119.600 0.035 0.000 2.134 423 M HA 0.052 4.533 4.480 0.001 0.000 0.262 423 M C 1.907 178.202 176.300 -0.008 0.000 1.076 423 M CA 1.582 56.899 55.300 0.029 0.000 1.143 423 M CB -0.413 32.190 32.600 0.005 0.000 1.346 423 M HN 0.740 nan 8.290 nan 0.000 0.421 424 E N 0.544 120.721 120.200 -0.039 0.000 2.110 424 E HA -0.203 4.147 4.350 0.001 0.000 0.193 424 E C 1.826 178.389 176.600 -0.061 0.000 0.988 424 E CA 0.996 57.365 56.400 -0.052 0.000 0.804 424 E CB 0.185 29.854 29.700 -0.052 0.000 0.745 424 E HN 0.326 nan 8.360 nan 0.000 0.458 425 E N 0.508 120.654 120.200 -0.090 0.000 2.070 425 E HA -0.210 4.140 4.350 0.001 0.000 0.197 425 E C 2.149 178.621 176.600 -0.214 0.000 1.004 425 E CA 1.287 57.590 56.400 -0.163 0.000 0.805 425 E CB -0.236 29.334 29.700 -0.217 0.000 0.744 425 E HN 0.495 nan 8.360 nan 0.000 0.451 426 I N 0.465 120.921 120.570 -0.191 0.000 3.251 426 I HA -0.090 4.081 4.170 0.001 0.000 0.277 426 I C 2.093 178.225 176.117 0.025 0.000 1.268 426 I CA 0.444 61.656 61.300 -0.147 0.000 1.449 426 I CB -0.091 37.842 38.000 -0.111 0.000 1.083 426 I HN 0.011 nan 8.210 nan 0.000 0.464 427 E N 1.360 121.598 120.200 0.063 0.000 2.465 427 E HA -0.068 4.283 4.350 0.001 0.000 0.191 427 E C 1.669 178.314 176.600 0.076 0.000 1.053 427 E CA 0.185 56.676 56.400 0.152 0.000 0.869 427 E CB 0.418 30.144 29.700 0.043 0.000 0.977 427 E HN 0.369 nan 8.360 nan 0.000 0.483 428 K N -1.549 118.859 120.400 0.013 0.000 2.703 428 K HA 0.068 4.388 4.320 0.001 0.000 0.196 428 K C 1.676 178.256 176.600 -0.034 0.000 1.457 428 K CA 0.566 56.850 56.287 -0.004 0.000 1.115 428 K CB 0.121 32.599 32.500 -0.036 0.000 1.661 428 K HN -0.071 nan 8.250 nan 0.000 0.552 429 T N 2.516 116.996 114.554 -0.123 0.000 2.653 429 T HA -0.165 4.186 4.350 0.001 0.000 0.268 429 T C 1.587 176.222 174.700 -0.107 0.000 1.035 429 T CA 1.765 63.735 62.100 -0.217 0.000 1.154 429 T CB -0.141 68.417 68.868 -0.517 0.000 0.862 429 T HN 0.060 nan 8.240 nan 0.000 0.441 430 L N 0.346 121.563 121.223 -0.010 0.000 2.240 430 L HA 0.184 4.525 4.340 0.001 0.000 0.211 430 L C 2.452 179.403 176.870 0.136 0.000 1.106 430 L CA 1.225 56.141 54.840 0.126 0.000 0.793 430 L CB -0.653 41.584 42.059 0.297 0.000 0.927 430 L HN 0.110 nan 8.230 nan 0.000 0.446 431 R N -0.201 120.395 120.500 0.160 0.000 2.148 431 R HA -0.120 4.221 4.340 0.001 0.000 0.223 431 R C 1.436 177.777 176.300 0.069 0.000 1.088 431 R CA 1.136 57.336 56.100 0.166 0.000 0.985 431 R CB -0.012 30.375 30.300 0.145 0.000 0.880 431 R HN 0.385 nan 8.270 nan 0.000 0.451 432 D N 0.426 120.843 120.400 0.028 0.000 2.162 432 D HA -0.095 4.545 4.640 0.001 0.000 0.205 432 D C 1.935 178.233 176.300 -0.003 0.000 0.964 432 D CA 0.878 54.882 54.000 0.006 0.000 0.847 432 D CB 0.020 40.814 40.800 -0.010 0.000 0.988 432 D HN 0.271 nan 8.370 nan 0.000 0.480 433 L N 1.469 122.688 121.223 -0.007 0.000 2.201 433 L HA -0.112 4.229 4.340 0.001 0.000 0.212 433 L C 2.593 179.424 176.870 -0.066 0.000 1.105 433 L CA 0.889 55.720 54.840 -0.015 0.000 0.775 433 L CB -0.468 41.605 42.059 0.023 0.000 0.913 433 L HN 0.037 nan 8.230 nan 0.000 0.440 434 S N -0.615 115.018 115.700 -0.112 0.000 2.402 434 S HA -0.136 4.335 4.470 0.001 0.000 0.229 434 S C 1.087 175.644 174.600 -0.072 0.000 1.021 434 S CA 0.563 58.657 58.200 -0.176 0.000 0.974 434 S CB -0.280 62.765 63.200 -0.258 0.000 0.800 434 S HN 0.472 nan 8.310 nan 0.000 0.484 435 E N 0.929 121.112 120.200 -0.027 0.000 2.427 435 E HA 0.312 4.663 4.350 0.001 0.000 0.259 435 E C -0.026 176.568 176.600 -0.009 0.000 1.267 435 E CA -0.196 56.200 56.400 -0.007 0.000 1.425 435 E CB 0.323 30.030 29.700 0.012 0.000 1.482 435 E HN 0.504 nan 8.360 nan 0.000 0.460 436 K N -0.832 119.557 120.400 -0.018 0.000 2.590 436 K HA 0.144 4.464 4.320 0.001 0.000 0.218 436 K C 0.974 177.565 176.600 -0.014 0.000 1.536 436 K CA 0.318 56.597 56.287 -0.013 0.000 1.013 436 K CB 1.577 34.070 32.500 -0.011 0.000 1.265 436 K HN 0.325 nan 8.250 nan 0.000 0.603 437 G N 1.887 110.674 108.800 -0.021 0.000 2.157 437 G HA2 -0.278 3.682 3.960 0.001 0.000 0.248 437 G HA3 -0.278 3.682 3.960 0.001 0.000 0.248 437 G C 0.773 175.659 174.900 -0.024 0.000 0.979 437 G CA 0.314 45.402 45.100 -0.020 0.000 0.650 437 G HN 0.140 nan 8.290 nan 0.000 0.529 438 L N -0.439 120.767 121.223 -0.027 0.000 2.187 438 L HA 0.335 4.676 4.340 0.001 0.000 0.213 438 L C 1.609 178.460 176.870 -0.032 0.000 1.100 438 L CA 1.695 56.519 54.840 -0.026 0.000 0.765 438 L CB -0.514 41.530 42.059 -0.025 0.000 0.904 438 L HN 1.034 nan 8.230 nan 0.000 0.437 439 A N -1.502 121.294 122.820 -0.041 0.000 2.456 439 A HA 0.424 4.745 4.320 0.001 0.000 0.294 439 A C -0.455 177.100 177.584 -0.050 0.000 1.057 439 A CA -0.170 51.841 52.037 -0.043 0.000 0.623 439 A CB 0.193 19.167 19.000 -0.044 0.000 1.338 439 A HN 0.004 nan 8.150 nan 0.000 0.464 440 S N 0.190 115.864 115.700 -0.045 0.000 2.568 440 S HA 0.192 4.663 4.470 0.001 0.000 0.282 440 S C 0.873 175.441 174.600 -0.052 0.000 1.338 440 S CA 0.600 58.778 58.200 -0.037 0.000 1.045 440 S CB 0.769 63.951 63.200 -0.030 0.000 0.873 440 S HN 0.983 nan 8.310 nan 0.000 0.516 441 K N 1.599 121.980 120.400 -0.032 0.000 2.360 441 K HA -0.172 4.149 4.320 0.001 0.000 0.201 441 K C 1.985 178.586 176.600 0.002 0.000 1.046 441 K CA 1.492 57.750 56.287 -0.048 0.000 0.940 441 K CB -0.116 32.420 32.500 0.061 0.000 0.748 441 K HN 0.771 nan 8.250 nan 0.000 0.465 442 K N 0.057 120.491 120.400 0.058 0.000 2.044 442 K HA -0.054 4.266 4.320 0.001 0.000 0.204 442 K C 1.826 178.489 176.600 0.105 0.000 1.045 442 K CA 1.001 57.369 56.287 0.136 0.000 0.951 442 K CB 0.079 32.627 32.500 0.080 0.000 0.738 442 K HN -0.048 nan 8.250 nan 0.000 0.443 443 V N 1.514 121.442 119.914 0.023 0.000 2.380 443 V HA -0.253 3.868 4.120 0.001 0.000 0.251 443 V C 2.357 178.472 176.094 0.034 0.000 1.063 443 V CA 1.606 63.928 62.300 0.037 0.000 1.055 443 V CB -0.337 31.477 31.823 -0.016 0.000 0.657 443 V HN 0.182 nan 8.190 nan 0.000 0.455 444 V N -0.654 119.198 119.914 -0.104 0.000 2.332 444 V HA -0.262 3.859 4.120 0.001 0.000 0.248 444 V C 2.127 178.109 176.094 -0.188 0.000 1.055 444 V CA 2.262 64.424 62.300 -0.230 0.000 1.038 444 V CB -0.767 30.759 31.823 -0.495 0.000 0.651 444 V HN 0.489 nan 8.190 nan 0.000 0.450 445 F N -0.627 119.377 119.950 0.090 0.000 2.387 445 F HA 0.051 4.579 4.527 0.001 0.000 0.294 445 F C 2.483 178.348 175.800 0.109 0.000 1.093 445 F CA 0.419 58.466 58.000 0.077 0.000 1.420 445 F CB -0.654 38.372 39.000 0.044 0.000 1.086 445 F HN 0.078 nan 8.300 nan 0.000 0.531 446 Q N 0.357 120.366 119.800 0.349 0.000 2.291 446 Q HA -0.032 4.309 4.340 0.001 0.000 0.205 446 Q C 2.309 178.570 176.000 0.435 0.000 0.970 446 Q CA 0.947 56.999 55.803 0.414 0.000 0.876 446 Q CB -0.311 28.800 28.738 0.622 0.000 0.935 446 Q HN 0.458 nan 8.270 nan 0.000 0.455 447 L N -0.419 121.028 121.223 0.374 0.000 2.071 447 L HA -0.070 4.270 4.340 0.001 0.000 0.201 447 L C 2.144 179.160 176.870 0.244 0.000 1.076 447 L CA 0.353 55.459 54.840 0.444 0.000 0.755 447 L CB -0.395 41.830 42.059 0.278 0.000 0.915 447 L HN 0.125 nan 8.230 nan 0.000 0.445 448 I N 0.252 120.912 120.570 0.150 0.000 2.194 448 I HA -0.327 3.844 4.170 0.001 0.000 0.246 448 I C 2.674 178.799 176.117 0.014 0.000 1.093 448 I CA 1.479 62.826 61.300 0.078 0.000 1.355 448 I CB -1.247 36.826 38.000 0.123 0.000 1.046 448 I HN 0.389 nan 8.210 nan 0.000 0.413 449 R N 0.877 121.387 120.500 0.016 0.000 2.112 449 R HA -0.196 4.145 4.340 0.001 0.000 0.242 449 R C 2.271 178.428 176.300 -0.238 0.000 1.137 449 R CA 2.185 58.240 56.100 -0.075 0.000 0.944 449 R CB -0.519 29.758 30.300 -0.038 0.000 0.857 449 R HN 0.433 nan 8.270 nan 0.000 0.435 450 G N -0.966 107.574 108.800 -0.433 0.000 2.603 450 G HA2 -0.018 3.943 3.960 0.001 0.000 0.214 450 G HA3 -0.018 3.943 3.960 0.001 0.000 0.214 450 G C 1.285 175.916 174.900 -0.449 0.000 1.140 450 G CA 0.356 44.988 45.100 -0.781 0.000 0.800 450 G HN 0.444 nan 8.290 nan 0.000 0.533 451 A N 0.390 123.131 122.820 -0.132 0.000 2.259 451 A HA 0.273 4.594 4.320 0.001 0.000 0.212 451 A C 2.160 179.825 177.584 0.136 0.000 1.178 451 A CA 1.944 54.119 52.037 0.231 0.000 0.734 451 A CB -0.275 18.842 19.000 0.196 0.000 0.774 451 A HN 0.944 nan 8.150 nan 0.000 0.481 452 V N -5.045 114.804 119.914 -0.108 0.000 3.305 452 V HA 0.098 4.219 4.120 0.001 0.000 0.247 452 V C 1.635 177.341 176.094 -0.647 0.000 1.426 452 V CA 1.286 63.466 62.300 -0.200 0.000 1.162 452 V CB -0.276 31.461 31.823 -0.144 0.000 0.961 452 V HN 0.457 nan 8.190 nan 0.000 0.449 453 T N -3.257 110.865 114.554 -0.719 0.000 2.969 453 T HA 0.425 4.775 4.350 0.001 0.000 0.250 453 T C 1.791 175.881 174.700 -1.017 0.000 1.021 453 T CA 1.184 62.743 62.100 -0.903 0.000 1.003 453 T CB 0.516 69.122 68.868 -0.436 0.000 1.040 453 T HN 1.782 nan 8.240 nan 0.000 0.492 454 G N 1.612 109.879 108.800 -0.888 0.000 2.148 454 G HA2 -0.225 3.736 3.960 0.001 0.000 0.254 454 G HA3 -0.225 3.736 3.960 0.001 0.000 0.254 454 G C -0.157 174.513 174.900 -0.383 0.000 0.981 454 G CA 0.396 45.016 45.100 -0.801 0.000 0.670 454 G HN 0.726 nan 8.290 nan 0.000 0.528 455 K N -0.948 119.234 120.400 -0.365 0.000 2.469 455 K HA 0.577 4.898 4.320 0.001 0.000 0.254 455 K C 0.889 177.342 176.600 -0.244 0.000 0.939 455 K CA -1.038 55.114 56.287 -0.226 0.000 0.812 455 K CB 1.682 34.094 32.500 -0.146 0.000 1.301 455 K HN -0.007 nan 8.250 nan 0.000 0.433 456 L N 1.380 122.478 121.223 -0.208 0.000 2.599 456 L HA 0.113 4.454 4.340 0.001 0.000 0.230 456 L C -0.101 176.709 176.870 -0.100 0.000 1.141 456 L CA 0.142 54.862 54.840 -0.201 0.000 0.877 456 L CB 0.223 42.132 42.059 -0.251 0.000 1.009 456 L HN 0.196 nan 8.230 nan 0.000 0.447 457 V N -0.142 119.720 119.914 -0.086 0.000 2.357 457 V HA 0.344 4.465 4.120 0.001 0.000 0.281 457 V C -0.029 176.035 176.094 -0.050 0.000 1.015 457 V CA -0.436 61.832 62.300 -0.054 0.000 0.827 457 V CB 1.389 33.190 31.823 -0.037 0.000 1.018 457 V HN 0.279 nan 8.190 nan 0.000 0.432 458 T N 2.936 117.463 114.554 -0.045 0.000 2.906 458 T HA 0.775 5.126 4.350 0.001 0.000 0.295 458 T C -2.624 172.053 174.700 -0.038 0.000 1.075 458 T CA -1.899 60.192 62.100 -0.015 0.000 1.005 458 T CB 2.362 71.242 68.868 0.020 0.000 1.136 458 T HN 0.309 nan 8.240 nan 0.000 0.498 459 P HA 0.309 nan 4.420 nan 0.000 0.291 459 P C 0.528 177.789 177.300 -0.064 0.000 1.287 459 P CA -0.333 62.727 63.100 -0.067 0.000 0.767 459 P CB -0.249 31.388 31.700 -0.104 0.000 1.290 460 G N 0.400 109.166 108.800 -0.056 0.000 2.209 460 G HA2 -0.049 3.912 3.960 0.001 0.000 0.271 460 G HA3 -0.049 3.912 3.960 0.001 0.000 0.271 460 G C 0.795 175.618 174.900 -0.128 0.000 1.111 460 G CA -0.101 44.949 45.100 -0.084 0.000 1.092 460 G HN 0.483 nan 8.290 nan 0.000 0.416 461 L N 3.659 124.699 121.223 -0.306 0.000 2.351 461 L HA -0.035 4.305 4.340 0.001 0.000 0.220 461 L C 2.081 178.839 176.870 -0.187 0.000 1.127 461 L CA 1.367 56.057 54.840 -0.250 0.000 0.786 461 L CB -0.485 41.377 42.059 -0.328 0.000 0.914 461 L HN 0.536 nan 8.230 nan 0.000 0.443 462 F N -0.191 119.753 119.950 -0.010 0.000 2.293 462 F HA -0.100 4.428 4.527 0.001 0.000 0.300 462 F C 2.276 178.083 175.800 0.012 0.000 1.086 462 F CA 1.286 59.278 58.000 -0.014 0.000 1.375 462 F CB -0.352 38.632 39.000 -0.026 0.000 1.045 462 F HN 0.267 nan 8.300 nan 0.000 0.516 463 E N -1.741 118.572 120.200 0.188 0.000 2.541 463 E HA 0.035 4.386 4.350 0.001 0.000 0.219 463 E C 1.784 178.486 176.600 0.170 0.000 0.922 463 E CA 0.349 56.846 56.400 0.162 0.000 1.095 463 E CB 0.115 29.893 29.700 0.129 0.000 1.112 463 E HN 0.139 nan 8.360 nan 0.000 0.516 464 T N 1.542 116.182 114.554 0.145 0.000 2.699 464 T HA -0.133 4.218 4.350 0.001 0.000 0.268 464 T C 1.859 176.659 174.700 0.167 0.000 1.036 464 T CA 1.097 63.324 62.100 0.211 0.000 1.147 464 T CB -0.019 68.928 68.868 0.133 0.000 0.862 464 T HN 0.150 nan 8.240 nan 0.000 0.446 465 I N 0.161 120.816 120.570 0.142 0.000 2.731 465 I HA 0.037 4.208 4.170 0.001 0.000 0.260 465 I C 2.647 178.990 176.117 0.378 0.000 1.138 465 I CA 0.631 62.047 61.300 0.193 0.000 1.461 465 I CB -0.292 37.789 38.000 0.136 0.000 1.128 465 I HN 0.254 nan 8.210 nan 0.000 0.438 466 E N 1.170 121.568 120.200 0.330 0.000 2.118 466 E HA -0.246 4.105 4.350 0.001 0.000 0.195 466 E C 2.269 179.116 176.600 0.412 0.000 0.992 466 E CA 1.355 58.044 56.400 0.480 0.000 0.804 466 E CB 0.158 30.025 29.700 0.278 0.000 0.741 466 E HN 0.292 nan 8.360 nan 0.000 0.458 467 V N 0.595 120.686 119.914 0.294 0.000 2.719 467 V HA -0.145 3.976 4.120 0.001 0.000 0.252 467 V C 2.006 178.303 176.094 0.338 0.000 1.065 467 V CA 0.908 63.358 62.300 0.249 0.000 1.086 467 V CB -0.168 31.769 31.823 0.189 0.000 0.700 467 V HN 0.276 nan 8.190 nan 0.000 0.467 468 L N 0.673 122.077 121.223 0.301 0.000 1.921 468 L HA 0.265 4.606 4.340 0.001 0.000 0.219 468 L C 1.262 178.229 176.870 0.161 0.000 1.081 468 L CA 1.631 56.620 54.840 0.249 0.000 0.771 468 L CB -0.898 41.243 42.059 0.137 0.000 0.888 468 L HN 0.543 nan 8.230 nan 0.000 0.433 469 G N -1.845 106.989 108.800 0.056 0.000 2.347 469 G HA2 -0.081 3.880 3.960 0.001 0.000 0.321 469 G HA3 -0.081 3.880 3.960 0.001 0.000 0.321 469 G C -0.214 174.273 174.900 -0.689 0.000 1.412 469 G CA -0.056 44.842 45.100 -0.337 0.000 0.990 469 G HN 0.063 nan 8.290 nan 0.000 0.637 470 K N -0.373 119.388 120.400 -1.066 0.000 2.280 470 K HA -0.035 4.285 4.320 0.001 0.000 0.202 470 K C 1.829 178.285 176.600 -0.240 0.000 1.047 470 K CA 2.148 57.863 56.287 -0.953 0.000 0.942 470 K CB -0.037 32.110 32.500 -0.587 0.000 0.739 470 K HN 0.599 nan 8.250 nan 0.000 0.457 471 E N -0.304 119.786 120.200 -0.184 0.000 2.132 471 E HA 0.012 4.363 4.350 0.001 0.000 0.193 471 E C 0.947 177.547 176.600 0.000 0.000 0.951 471 E CA 0.093 56.457 56.400 -0.061 0.000 0.843 471 E CB 0.204 29.852 29.700 -0.087 0.000 0.807 471 E HN 0.129 nan 8.360 nan 0.000 0.467 472 R N 1.088 121.579 120.500 -0.015 0.000 2.845 472 R HA 0.044 4.385 4.340 0.001 0.000 0.220 472 R C 0.358 176.721 176.300 0.106 0.000 1.528 472 R CA 0.478 56.596 56.100 0.030 0.000 1.374 472 R CB -0.007 30.295 30.300 0.003 0.000 1.104 472 R HN 0.133 nan 8.270 nan 0.000 0.510 473 T N -1.484 113.170 114.554 0.168 0.000 3.601 473 T HA 0.081 4.431 4.350 0.001 0.000 0.242 473 T C 1.502 176.307 174.700 0.176 0.000 0.958 473 T CA -0.330 61.914 62.100 0.239 0.000 1.120 473 T CB -0.062 69.123 68.868 0.528 0.000 1.154 473 T HN 0.039 nan 8.240 nan 0.000 0.375 474 L N 1.384 122.743 121.223 0.226 0.000 2.042 474 L HA -0.065 4.276 4.340 0.001 0.000 0.210 474 L C 2.449 179.368 176.870 0.083 0.000 1.076 474 L CA 1.573 56.503 54.840 0.151 0.000 0.749 474 L CB -0.622 41.551 42.059 0.191 0.000 0.893 474 L HN 0.231 nan 8.230 nan 0.000 0.432 475 K N -0.031 120.416 120.400 0.079 0.000 2.031 475 K HA -0.095 4.226 4.320 0.001 0.000 0.205 475 K C 2.284 178.920 176.600 0.060 0.000 1.049 475 K CA 1.005 57.323 56.287 0.052 0.000 0.939 475 K CB -0.149 32.369 32.500 0.030 0.000 0.717 475 K HN 0.231 nan 8.250 nan 0.000 0.438 476 R N 1.008 121.558 120.500 0.084 0.000 2.081 476 R HA -0.074 4.266 4.340 0.001 0.000 0.235 476 R C 2.411 178.792 176.300 0.134 0.000 1.131 476 R CA 1.208 57.387 56.100 0.132 0.000 0.960 476 R CB -0.538 29.866 30.300 0.174 0.000 0.856 476 R HN 0.146 nan 8.270 nan 0.000 0.436 477 L N 0.515 121.782 121.223 0.074 0.000 2.042 477 L HA -0.221 4.120 4.340 0.001 0.000 0.210 477 L C 2.565 179.462 176.870 0.045 0.000 1.076 477 L CA 1.329 56.187 54.840 0.030 0.000 0.749 477 L CB -0.426 41.575 42.059 -0.097 0.000 0.893 477 L HN 0.177 nan 8.230 nan 0.000 0.432 478 E N 0.614 120.839 120.200 0.041 0.000 2.110 478 E HA -0.240 4.110 4.350 0.001 0.000 0.193 478 E C 2.201 178.839 176.600 0.064 0.000 0.988 478 E CA 1.228 57.653 56.400 0.041 0.000 0.804 478 E CB -0.119 29.602 29.700 0.035 0.000 0.745 478 E HN 0.212 nan 8.360 nan 0.000 0.458 479 R N -0.528 120.020 120.500 0.081 0.000 2.083 479 R HA -0.121 4.220 4.340 0.001 0.000 0.237 479 R C 1.897 178.273 176.300 0.125 0.000 1.137 479 R CA 2.040 58.194 56.100 0.090 0.000 0.951 479 R CB -0.568 29.786 30.300 0.090 0.000 0.851 479 R HN 0.208 nan 8.270 nan 0.000 0.434 480 T N 1.632 116.277 114.554 0.151 0.000 2.915 480 T HA -0.055 4.296 4.350 0.001 0.000 0.269 480 T C 1.801 176.581 174.700 0.132 0.000 1.071 480 T CA 1.050 63.238 62.100 0.146 0.000 1.132 480 T CB -0.054 68.936 68.868 0.202 0.000 0.878 480 T HN 0.160 nan 8.240 nan 0.000 0.479 481 L N 0.758 122.034 121.223 0.088 0.000 1.961 481 L HA -0.130 4.211 4.340 0.001 0.000 0.210 481 L C 2.995 179.889 176.870 0.041 0.000 1.072 481 L CA 1.176 56.043 54.840 0.045 0.000 0.749 481 L CB -0.601 41.475 42.059 0.028 0.000 0.889 481 L HN 0.130 nan 8.230 nan 0.000 0.432 482 Q N -0.677 119.159 119.800 0.060 0.000 2.226 482 Q HA -0.210 4.131 4.340 0.001 0.000 0.204 482 Q C 2.017 178.063 176.000 0.077 0.000 0.975 482 Q CA 1.476 57.311 55.803 0.053 0.000 0.866 482 Q CB -0.453 28.320 28.738 0.058 0.000 0.915 482 Q HN 0.421 nan 8.270 nan 0.000 0.440 483 F N 1.056 120.971 119.950 -0.058 0.000 2.325 483 F HA -0.111 4.417 4.527 0.001 0.000 0.299 483 F C 1.811 177.549 175.800 -0.104 0.000 1.090 483 F CA 0.343 58.290 58.000 -0.088 0.000 1.392 483 F CB -0.174 38.736 39.000 -0.150 0.000 1.053 483 F HN 0.076 nan 8.300 nan 0.000 0.521 484 L N 1.118 122.247 121.223 -0.156 0.000 2.261 484 L HA -0.169 4.172 4.340 0.001 0.000 0.216 484 L C 1.786 178.506 176.870 -0.250 0.000 1.114 484 L CA 1.733 56.429 54.840 -0.239 0.000 0.777 484 L CB -0.979 41.012 42.059 -0.113 0.000 0.910 484 L HN 0.049 nan 8.230 nan 0.000 0.440 485 K N 0.103 120.389 120.400 -0.190 0.000 2.551 485 K HA -0.049 4.272 4.320 0.001 0.000 0.192 485 K C 0.495 176.977 176.600 -0.196 0.000 1.027 485 K CA 0.065 56.263 56.287 -0.149 0.000 1.059 485 K CB -0.112 32.338 32.500 -0.083 0.000 0.831 485 K HN 0.309 nan 8.250 nan 0.000 0.508 486 K N 0.000 120.190 120.400 -0.350 0.000 2.780 486 K HA 0.000 4.321 4.320 0.001 0.000 0.191 486 K CA 0.000 56.062 56.287 -0.376 0.000 0.838 486 K CB 0.000 32.359 32.500 -0.235 0.000 1.064 486 K HN 0.000 nan 8.250 nan 0.000 0.543