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 1nir_1_B DATA FIRST_RESID 5 DATA SEQUENCE KAAEQYQGAA SAVDPAHVVR TNGAPDMSES EFNEAKQIYF QRCAGCHGVL DATA SEQUENCE RKGATGKPLT PDITQQRGQQ YLEALITYGT PLGMPNWGSS GELSKEQITL DATA SEQUENCE MAKYIQHTPP QPPEWGMPEM RESWKVLVKP EDRPKKQLND LDLPNLFSVT DATA SEQUENCE LRDAGQIALV DGDSKKIVKV IDTGYAVHIS RMSASGRYLL VIGRDARIDM DATA SEQUENCE IDLWAKEPTK VAEIKIGIEA RSVESSKFKG YEDRYTIAGA YWPPQFAIMD DATA SEQUENCE GETLEPKQIV STRGMTVDTQ TYHPEPRVAA IIASHEHPEF IVNVKETGKV DATA SEQUENCE LLVNYKDIDN LTVTSIGAAP FLHDGGWDSS HRYFMTAANN SNKVAVIDSK DATA SEQUENCE DRRLSALVDV GKTPHPGRGA NFVHPKYGPV WSTSHLGDGS ISLIGTDPKN DATA SEQUENCE HPQYAWKKVA ELQGQGGGSL FIKTHPKSSH LYVDTTFNPD ARISQSVAVF DATA SEQUENCE DLKNLDAKYQ VLPIAEWADL GEGAKRVVQP EYNKRGDEVW FSVWNGKNDS DATA SEQUENCE SALVVVDDKT LKLKAVVKDP RLITPTGKFN VYNTQHDVY 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.616 176.600 0.027 0.000 0.988 5 K CA 0.000 56.298 56.287 0.018 0.000 0.838 5 K CB 0.000 32.508 32.500 0.013 0.000 1.064 6 A N 1.714 124.548 122.820 0.022 0.000 1.858 6 A HA -0.004 4.316 4.320 0.001 0.000 0.216 6 A C 2.282 179.904 177.584 0.063 0.000 1.190 6 A CA 2.144 54.196 52.037 0.026 0.000 0.617 6 A CB -0.607 18.391 19.000 -0.003 0.000 0.827 6 A HN 0.304 nan 8.150 nan 0.000 0.443 7 A N -0.390 122.467 122.820 0.062 0.000 2.067 7 A HA -0.095 4.225 4.320 0.001 0.000 0.219 7 A C 1.842 179.517 177.584 0.151 0.000 1.158 7 A CA 1.445 53.562 52.037 0.133 0.000 0.661 7 A CB -0.441 18.613 19.000 0.089 0.000 0.801 7 A HN 0.668 nan 8.150 nan 0.000 0.452 8 E N -0.524 119.726 120.200 0.083 0.000 2.107 8 E HA -0.157 4.194 4.350 0.001 0.000 0.191 8 E C 1.921 178.553 176.600 0.052 0.000 0.982 8 E CA 0.997 57.430 56.400 0.054 0.000 0.809 8 E CB -0.088 29.631 29.700 0.032 0.000 0.756 8 E HN 0.525 nan 8.360 nan 0.000 0.459 9 Q N -0.320 119.521 119.800 0.069 0.000 2.331 9 Q HA -0.103 4.237 4.340 0.001 0.000 0.203 9 Q C 1.814 177.869 176.000 0.092 0.000 0.944 9 Q CA 0.721 56.560 55.803 0.060 0.000 0.892 9 Q CB -0.291 28.479 28.738 0.054 0.000 0.983 9 Q HN 0.387 nan 8.270 nan 0.000 0.482 10 Y N 2.054 122.351 120.300 -0.006 0.000 2.181 10 Y HA -0.161 4.389 4.550 0.001 0.000 0.288 10 Y C 1.116 177.011 175.900 -0.007 0.000 1.146 10 Y CA 1.652 59.748 58.100 -0.007 0.000 1.164 10 Y CB 0.098 38.554 38.460 -0.007 0.000 0.982 10 Y HN 0.097 nan 8.280 nan 0.000 0.515 11 Q N -0.612 119.098 119.800 -0.151 0.000 2.211 11 Q HA 0.220 4.561 4.340 0.001 0.000 0.231 11 Q C 1.696 177.630 176.000 -0.111 0.000 0.865 11 Q CA 0.270 55.937 55.803 -0.227 0.000 0.997 11 Q CB 0.392 29.046 28.738 -0.140 0.000 1.101 11 Q HN 0.557 nan 8.270 nan 0.000 0.468 12 G N 0.449 109.206 108.800 -0.072 0.000 2.539 12 G HA2 0.150 4.111 3.960 0.001 0.000 0.215 12 G HA3 0.150 4.111 3.960 0.001 0.000 0.215 12 G C 0.693 175.567 174.900 -0.044 0.000 1.141 12 G CA 0.315 45.390 45.100 -0.041 0.000 0.806 12 G HN 0.429 nan 8.290 nan 0.000 0.533 13 A N 0.454 123.239 122.820 -0.058 0.000 2.492 13 A HA 0.590 4.910 4.320 0.001 0.000 0.236 13 A C 0.982 178.537 177.584 -0.048 0.000 1.078 13 A CA 0.351 52.359 52.037 -0.048 0.000 0.773 13 A CB -0.011 18.956 19.000 -0.055 0.000 1.023 13 A HN 1.079 nan 8.150 nan 0.000 0.504 14 A N 1.089 123.887 122.820 -0.036 0.000 2.425 14 A HA 0.485 4.805 4.320 0.001 0.000 0.242 14 A C 0.929 178.490 177.584 -0.037 0.000 1.077 14 A CA 0.557 52.575 52.037 -0.032 0.000 0.781 14 A CB -0.134 18.853 19.000 -0.022 0.000 1.020 14 A HN 1.534 nan 8.150 nan 0.000 0.494 15 S N 0.477 116.157 115.700 -0.034 0.000 2.585 15 S HA 0.359 4.829 4.470 0.001 0.000 0.273 15 S C 1.305 175.886 174.600 -0.031 0.000 1.339 15 S CA 0.002 58.180 58.200 -0.037 0.000 1.028 15 S CB 0.733 63.914 63.200 -0.033 0.000 0.906 15 S HN 1.474 nan 8.310 nan 0.000 0.528 16 A N 3.858 126.657 122.820 -0.035 0.000 2.167 16 A HA 0.218 4.538 4.320 0.001 0.000 0.214 16 A C 0.719 178.285 177.584 -0.030 0.000 1.151 16 A CA 0.208 52.226 52.037 -0.032 0.000 0.735 16 A CB -0.437 18.541 19.000 -0.037 0.000 0.802 16 A HN 0.678 nan 8.150 nan 0.000 0.467 17 V N 1.967 121.865 119.914 -0.027 0.000 2.585 17 V HA 0.033 4.153 4.120 0.001 0.000 0.296 17 V C 0.067 176.161 176.094 0.000 0.000 1.035 17 V CA -0.205 62.084 62.300 -0.020 0.000 1.084 17 V CB 0.761 32.573 31.823 -0.018 0.000 0.953 17 V HN 0.421 nan 8.190 nan 0.000 0.483 18 D N 6.829 127.241 120.400 0.019 0.000 2.316 18 D HA 0.248 4.888 4.640 0.001 0.000 0.245 18 D C -1.468 174.888 176.300 0.094 0.000 1.171 18 D CA -2.128 51.916 54.000 0.073 0.000 0.856 18 D CB 1.907 42.791 40.800 0.141 0.000 1.090 18 D HN 0.223 nan 8.370 nan 0.000 0.476 19 P HA -0.127 nan 4.420 nan 0.000 0.217 19 P C 0.831 178.140 177.300 0.015 0.000 1.148 19 P CA 1.198 64.313 63.100 0.025 0.000 0.828 19 P CB 0.224 31.929 31.700 0.008 0.000 0.783 20 A N -1.451 121.378 122.820 0.016 0.000 2.121 20 A HA -0.164 4.156 4.320 0.001 0.000 0.218 20 A C 1.345 178.797 177.584 -0.221 0.000 1.154 20 A CA 1.384 53.365 52.037 -0.093 0.000 0.679 20 A CB -1.297 17.630 19.000 -0.123 0.000 0.795 20 A HN 0.292 nan 8.150 nan 0.000 0.458 21 H N -1.943 117.116 119.070 -0.017 0.000 2.652 21 H HA 0.309 4.865 4.556 0.001 0.000 0.274 21 H C -0.302 175.015 175.328 -0.019 0.000 1.021 21 H CA -0.003 56.035 56.048 -0.018 0.000 1.187 21 H CB 0.536 30.288 29.762 -0.017 0.000 1.505 21 H HN 0.177 nan 8.280 nan 0.000 0.530 22 V N 2.983 122.933 119.914 0.061 0.000 2.385 22 V HA 0.158 4.279 4.120 0.001 0.000 0.269 22 V C 0.154 176.248 176.094 -0.000 0.000 1.043 22 V CA -0.771 61.545 62.300 0.027 0.000 0.906 22 V CB 0.918 32.750 31.823 0.015 0.000 0.995 22 V HN 0.150 nan 8.190 nan 0.000 0.467 23 V N 3.346 123.258 119.914 -0.003 0.000 2.483 23 V HA 0.638 4.758 4.120 0.001 0.000 0.295 23 V C 0.002 176.084 176.094 -0.019 0.000 1.035 23 V CA -1.023 61.267 62.300 -0.018 0.000 0.896 23 V CB 1.520 33.331 31.823 -0.020 0.000 0.986 23 V HN 0.870 nan 8.190 nan 0.000 0.447 24 R N 2.927 123.412 120.500 -0.025 0.000 2.265 24 R HA 0.426 4.766 4.340 0.001 0.000 0.314 24 R C -0.362 175.919 176.300 -0.032 0.000 1.053 24 R CA -0.227 55.858 56.100 -0.026 0.000 0.931 24 R CB 0.906 31.189 30.300 -0.028 0.000 1.024 24 R HN 0.941 nan 8.270 nan 0.000 0.457 25 T N 4.626 119.161 114.554 -0.031 0.000 2.794 25 T HA 0.295 4.646 4.350 0.001 0.000 0.296 25 T C -0.211 174.455 174.700 -0.056 0.000 0.949 25 T CA -0.357 61.718 62.100 -0.041 0.000 1.101 25 T CB 0.533 69.381 68.868 -0.034 0.000 0.905 25 T HN 0.629 nan 8.240 nan 0.000 0.516 26 N N 0.304 118.959 118.700 -0.074 0.000 3.386 26 N HA 0.371 5.112 4.740 0.001 0.000 0.305 26 N C 0.259 175.702 175.510 -0.111 0.000 1.380 26 N CA 0.446 53.434 53.050 -0.104 0.000 0.832 26 N CB 0.618 39.055 38.487 -0.083 0.000 1.714 26 N HN 0.823 nan 8.380 nan 0.000 0.419 27 G N -0.590 108.137 108.800 -0.121 0.000 2.134 27 G HA2 0.140 4.100 3.960 0.001 0.000 0.209 27 G HA3 0.140 4.100 3.960 0.001 0.000 0.209 27 G C -0.062 174.757 174.900 -0.135 0.000 0.993 27 G CA 0.611 45.650 45.100 -0.101 0.000 0.669 27 G HN 0.875 nan 8.290 nan 0.000 0.519 28 A N 0.369 123.049 122.820 -0.233 0.000 2.293 28 A HA 0.854 5.175 4.320 0.001 0.000 0.302 28 A C -1.751 175.707 177.584 -0.210 0.000 1.119 28 A CA -1.308 50.527 52.037 -0.337 0.000 0.823 28 A CB 0.615 19.093 19.000 -0.870 0.000 1.097 28 A HN 0.164 nan 8.150 nan 0.000 0.491 29 P HA 0.141 nan 4.420 nan 0.000 0.267 29 P C -0.822 176.585 177.300 0.178 0.000 1.205 29 P CA -0.082 63.053 63.100 0.059 0.000 0.765 29 P CB 0.350 32.103 31.700 0.089 0.000 0.828 30 D N 3.317 123.793 120.400 0.126 0.000 2.443 30 D HA 0.223 4.863 4.640 0.001 0.000 0.239 30 D C 0.523 176.918 176.300 0.159 0.000 1.136 30 D CA 0.794 54.885 54.000 0.152 0.000 0.879 30 D CB 0.262 41.110 40.800 0.080 0.000 1.195 30 D HN 0.353 nan 8.370 nan 0.000 0.443 31 M N -1.026 118.667 119.600 0.155 0.000 2.365 31 M HA 0.334 4.814 4.480 0.001 0.000 0.287 31 M C -0.343 176.007 176.300 0.083 0.000 1.154 31 M CA -0.990 54.380 55.300 0.115 0.000 0.941 31 M CB 1.886 34.567 32.600 0.134 0.000 1.704 31 M HN 0.206 nan 8.290 nan 0.000 0.479 32 S N 0.506 116.247 115.700 0.068 0.000 2.626 32 S HA 0.183 4.653 4.470 0.001 0.000 0.257 32 S C 0.751 175.389 174.600 0.064 0.000 1.288 32 S CA 0.278 58.505 58.200 0.045 0.000 0.980 32 S CB 1.263 64.485 63.200 0.036 0.000 0.975 32 S HN 0.947 nan 8.310 nan 0.000 0.577 33 E N 0.271 120.493 120.200 0.035 0.000 2.051 33 E HA -0.166 4.184 4.350 0.001 0.000 0.192 33 E C 2.185 178.841 176.600 0.094 0.000 0.991 33 E CA 1.292 57.722 56.400 0.049 0.000 0.799 33 E CB -0.370 29.339 29.700 0.016 0.000 0.748 33 E HN 0.708 nan 8.360 nan 0.000 0.449 34 S N 0.045 115.782 115.700 0.061 0.000 2.370 34 S HA -0.221 4.250 4.470 0.001 0.000 0.226 34 S C 1.734 176.367 174.600 0.055 0.000 1.033 34 S CA 1.672 59.901 58.200 0.049 0.000 1.011 34 S CB -0.210 63.008 63.200 0.031 0.000 0.852 34 S HN 0.312 nan 8.310 nan 0.000 0.457 35 E N -0.515 119.727 120.200 0.070 0.000 2.028 35 E HA -0.065 4.285 4.350 0.001 0.000 0.190 35 E C 1.838 178.484 176.600 0.075 0.000 0.984 35 E CA 1.192 57.628 56.400 0.059 0.000 0.800 35 E CB -0.361 29.380 29.700 0.068 0.000 0.758 35 E HN 0.654 nan 8.360 nan 0.000 0.448 36 F N 2.673 122.612 119.950 -0.019 0.000 2.095 36 F HA -0.208 4.319 4.527 0.000 0.000 0.298 36 F C 1.908 177.711 175.800 0.006 0.000 1.104 36 F CA 1.417 59.419 58.000 0.005 0.000 1.232 36 F CB -0.041 38.937 39.000 -0.037 0.000 0.987 36 F HN -0.071 nan 8.300 nan 0.000 0.475 37 N N 0.419 119.244 118.700 0.209 0.000 2.244 37 N HA -0.191 4.549 4.740 0.001 0.000 0.183 37 N C 1.884 177.366 175.510 -0.048 0.000 1.016 37 N CA 1.346 54.456 53.050 0.099 0.000 0.866 37 N CB -0.533 38.020 38.487 0.111 0.000 0.980 37 N HN 0.548 nan 8.380 nan 0.000 0.430 38 E N 0.643 120.807 120.200 -0.059 0.000 2.072 38 E HA -0.067 4.283 4.350 0.001 0.000 0.191 38 E C 1.748 178.231 176.600 -0.195 0.000 0.985 38 E CA 0.908 57.252 56.400 -0.093 0.000 0.801 38 E CB 0.045 29.707 29.700 -0.062 0.000 0.750 38 E HN 0.295 nan 8.360 nan 0.000 0.452 39 A N 1.521 124.161 122.820 -0.300 0.000 1.898 39 A HA -0.186 4.135 4.320 0.001 0.000 0.216 39 A C 2.114 179.189 177.584 -0.848 0.000 1.181 39 A CA 1.596 53.314 52.037 -0.531 0.000 0.620 39 A CB -0.442 18.218 19.000 -0.566 0.000 0.819 39 A HN 0.175 nan 8.150 nan 0.000 0.442 40 K N -0.508 119.367 120.400 -0.874 0.000 2.097 40 K HA -0.238 4.083 4.320 0.001 0.000 0.206 40 K C 2.292 178.833 176.600 -0.098 0.000 1.049 40 K CA 1.768 57.695 56.287 -0.601 0.000 0.933 40 K CB -0.174 32.203 32.500 -0.204 0.000 0.717 40 K HN 0.642 nan 8.250 nan 0.000 0.442 41 Q N 0.515 120.250 119.800 -0.109 0.000 2.084 41 Q HA -0.135 4.205 4.340 0.001 0.000 0.202 41 Q C 1.987 177.963 176.000 -0.039 0.000 0.978 41 Q CA 1.551 57.343 55.803 -0.019 0.000 0.844 41 Q CB -0.014 28.697 28.738 -0.045 0.000 0.898 41 Q HN 0.392 nan 8.270 nan 0.000 0.426 42 I N -0.234 120.249 120.570 -0.145 0.000 2.315 42 I HA -0.245 3.925 4.170 0.001 0.000 0.248 42 I C 2.076 178.056 176.117 -0.229 0.000 1.117 42 I CA 0.906 62.094 61.300 -0.187 0.000 1.404 42 I CB -0.327 37.530 38.000 -0.239 0.000 1.071 42 I HN 0.306 nan 8.210 nan 0.000 0.419 43 Y N 1.293 121.360 120.300 -0.387 0.000 2.097 43 Y HA -0.296 4.255 4.550 0.000 0.000 0.282 43 Y C 2.183 177.860 175.900 -0.372 0.000 1.152 43 Y CA 1.817 59.653 58.100 -0.441 0.000 1.136 43 Y CB -0.427 37.687 38.460 -0.578 0.000 0.975 43 Y HN -0.019 nan 8.280 nan 0.000 0.498 44 F N 0.111 120.032 119.950 -0.048 0.000 2.325 44 F HA -0.132 4.395 4.527 0.000 0.000 0.299 44 F C 2.407 178.145 175.800 -0.103 0.000 1.090 44 F CA 1.393 59.358 58.000 -0.058 0.000 1.392 44 F CB -0.358 38.658 39.000 0.027 0.000 1.053 44 F HN 0.129 nan 8.300 nan 0.000 0.521 45 Q N -0.660 119.158 119.800 0.030 0.000 2.163 45 Q HA -0.026 4.314 4.340 0.001 0.000 0.198 45 Q C 1.837 177.801 176.000 -0.060 0.000 0.954 45 Q CA 0.803 56.608 55.803 0.003 0.000 0.851 45 Q CB 0.210 28.943 28.738 -0.009 0.000 0.928 45 Q HN 0.187 nan 8.270 nan 0.000 0.459 46 R N -1.614 118.767 120.500 -0.199 0.000 2.342 46 R HA 0.187 4.527 4.340 0.001 0.000 0.204 46 R C 1.570 177.671 176.300 -0.333 0.000 0.882 46 R CA 0.483 56.430 56.100 -0.256 0.000 1.041 46 R CB 0.177 30.148 30.300 -0.547 0.000 1.188 46 R HN 0.231 nan 8.270 nan 0.000 0.598 47 C N -0.169 118.809 119.300 -0.537 0.000 2.964 47 C HA 0.435 4.896 4.460 0.001 0.000 0.358 47 C C 2.528 177.129 174.990 -0.648 0.000 1.289 47 C CA 0.091 58.759 59.018 -0.583 0.000 1.856 47 C CB 0.017 27.244 27.740 -0.855 0.000 2.488 47 C HN 0.409 nan 8.230 nan 0.000 0.604 48 A N 1.966 124.277 122.820 -0.847 0.000 1.933 48 A HA 0.093 4.413 4.320 0.001 0.000 0.218 48 A C 2.348 179.861 177.584 -0.119 0.000 1.175 48 A CA 2.173 53.898 52.037 -0.521 0.000 0.628 48 A CB -1.326 17.471 19.000 -0.339 0.000 0.814 48 A HN 0.538 nan 8.150 nan 0.000 0.444 49 G N -0.895 107.870 108.800 -0.057 0.000 2.513 49 G HA2 -0.347 3.613 3.960 0.001 0.000 0.219 49 G HA3 -0.347 3.613 3.960 0.001 0.000 0.219 49 G C 1.589 176.499 174.900 0.018 0.000 1.160 49 G CA 1.516 46.644 45.100 0.047 0.000 0.767 49 G HN 0.539 nan 8.290 nan 0.000 0.571 50 C N -1.264 118.006 119.300 -0.051 0.000 2.538 50 C HA 0.223 4.683 4.460 0.001 0.000 0.281 50 C C 2.357 177.255 174.990 -0.152 0.000 1.320 50 C CA 0.394 59.336 59.018 -0.128 0.000 1.714 50 C CB -0.751 26.855 27.740 -0.223 0.000 2.095 50 C HN 0.507 nan 8.230 nan 0.000 0.497 51 H N 0.441 119.501 119.070 -0.018 0.000 2.551 51 H HA 0.240 4.796 4.556 0.000 0.000 0.266 51 H C 1.471 176.861 175.328 0.103 0.000 0.964 51 H CA 1.195 57.275 56.048 0.054 0.000 1.180 51 H CB -0.254 29.551 29.762 0.072 0.000 1.408 51 H HN 0.597 nan 8.280 nan 0.000 0.563 52 G N 0.061 108.957 108.800 0.160 0.000 2.829 52 G HA2 -0.269 3.691 3.960 0.001 0.000 0.628 52 G HA3 -0.269 3.691 3.960 0.001 0.000 0.628 52 G C 0.978 175.996 174.900 0.198 0.000 1.412 52 G CA -0.101 45.100 45.100 0.168 0.000 0.864 52 G HN 0.145 nan 8.290 nan 0.000 0.544 53 V N 0.454 120.467 119.914 0.164 0.000 2.427 53 V HA -0.038 4.082 4.120 0.001 0.000 0.248 53 V C 2.548 178.652 176.094 0.017 0.000 1.051 53 V CA 2.360 64.716 62.300 0.094 0.000 1.048 53 V CB -0.441 31.306 31.823 -0.127 0.000 0.666 53 V HN 0.497 nan 8.190 nan 0.000 0.456 54 L N -0.634 120.623 121.223 0.057 0.000 2.628 54 L HA 0.294 4.634 4.340 0.001 0.000 0.229 54 L C 0.894 177.783 176.870 0.032 0.000 1.137 54 L CA 0.010 54.870 54.840 0.033 0.000 0.909 54 L CB -0.123 41.993 42.059 0.096 0.000 1.137 54 L HN 0.298 nan 8.230 nan 0.000 0.470 55 R N 0.186 120.744 120.500 0.097 0.000 3.651 55 R HA -0.185 4.155 4.340 0.001 0.000 0.292 55 R C 0.210 176.602 176.300 0.153 0.000 1.161 55 R CA 0.650 56.839 56.100 0.148 0.000 0.787 55 R CB -1.855 28.457 30.300 0.021 0.000 1.249 55 R HN 0.377 nan 8.270 nan 0.000 0.476 56 K N -0.878 119.610 120.400 0.148 0.000 2.592 56 K HA 0.149 4.470 4.320 0.001 0.000 0.203 56 K C 1.429 178.204 176.600 0.292 0.000 1.070 56 K CA 0.430 56.794 56.287 0.127 0.000 1.062 56 K CB 1.323 33.740 32.500 -0.138 0.000 0.814 56 K HN 0.307 nan 8.250 nan 0.000 0.502 57 G N 0.723 109.686 108.800 0.272 0.000 2.603 57 G HA2 0.095 4.055 3.960 0.001 0.000 0.214 57 G HA3 0.095 4.055 3.960 0.001 0.000 0.214 57 G C 0.569 175.610 174.900 0.234 0.000 1.140 57 G CA 0.176 45.423 45.100 0.246 0.000 0.800 57 G HN 0.300 nan 8.290 nan 0.000 0.533 58 A N 0.230 123.129 122.820 0.132 0.000 2.256 58 A HA 0.682 5.002 4.320 0.001 0.000 0.318 58 A C 0.797 178.449 177.584 0.113 0.000 1.103 58 A CA 0.199 52.224 52.037 -0.020 0.000 0.860 58 A CB 0.261 19.061 19.000 -0.333 0.000 1.182 58 A HN 0.423 nan 8.150 nan 0.000 0.501 59 T N -1.373 113.160 114.554 -0.036 0.000 2.813 59 T HA 0.543 4.894 4.350 0.001 0.000 0.297 59 T C 0.882 175.632 174.700 0.084 0.000 1.036 59 T CA 0.445 62.574 62.100 0.050 0.000 1.044 59 T CB 0.442 69.257 68.868 -0.089 0.000 0.993 59 T HN 2.619 nan 8.240 nan 0.000 0.535 60 G N 0.947 109.809 108.800 0.104 0.000 2.632 60 G HA2 -0.164 3.796 3.960 0.001 0.000 0.224 60 G HA3 -0.164 3.796 3.960 0.001 0.000 0.224 60 G C -0.687 174.283 174.900 0.117 0.000 1.341 60 G CA -0.421 44.740 45.100 0.101 0.000 0.880 60 G HN 0.970 nan 8.290 nan 0.000 0.566 61 K N 1.881 122.345 120.400 0.106 0.000 2.368 61 K HA 0.379 4.700 4.320 0.001 0.000 0.282 61 K C -1.791 174.876 176.600 0.112 0.000 1.035 61 K CA -0.748 55.592 56.287 0.089 0.000 0.973 61 K CB 0.578 33.114 32.500 0.060 0.000 0.957 61 K HN 0.359 nan 8.250 nan 0.000 0.474 62 P HA 0.003 nan 4.420 nan 0.000 0.271 62 P C -0.133 177.198 177.300 0.051 0.000 1.233 62 P CA -0.093 63.063 63.100 0.093 0.000 0.789 62 P CB 0.503 32.231 31.700 0.047 0.000 0.951 63 L N 0.187 121.426 121.223 0.028 0.000 2.928 63 L HA 0.135 4.476 4.340 0.001 0.000 0.236 63 L C 0.814 177.647 176.870 -0.062 0.000 1.290 63 L CA -0.159 54.656 54.840 -0.041 0.000 1.099 63 L CB -1.154 40.836 42.059 -0.115 0.000 1.437 63 L HN 0.420 nan 8.230 nan 0.000 0.493 64 T N -3.701 110.828 114.554 -0.041 0.000 2.904 64 T HA 0.236 4.586 4.350 0.001 0.000 0.290 64 T C -1.635 173.030 174.700 -0.057 0.000 1.018 64 T CA -1.796 60.272 62.100 -0.054 0.000 1.075 64 T CB 1.272 70.120 68.868 -0.034 0.000 0.986 64 T HN -0.094 nan 8.240 nan 0.000 0.523 65 P HA -0.122 nan 4.420 nan 0.000 0.221 65 P C 1.113 178.380 177.300 -0.055 0.000 1.145 65 P CA 1.040 64.099 63.100 -0.067 0.000 0.795 65 P CB -0.023 31.633 31.700 -0.074 0.000 0.775 66 D N -0.810 119.564 120.400 -0.044 0.000 2.183 66 D HA -0.117 4.523 4.640 0.001 0.000 0.203 66 D C 1.726 178.001 176.300 -0.041 0.000 0.969 66 D CA 0.989 54.966 54.000 -0.038 0.000 0.842 66 D CB -0.742 40.042 40.800 -0.026 0.000 0.957 66 D HN 0.129 nan 8.370 nan 0.000 0.484 67 I N 1.387 121.932 120.570 -0.041 0.000 2.556 67 I HA -0.108 4.063 4.170 0.001 0.000 0.251 67 I C 2.547 178.626 176.117 -0.063 0.000 1.105 67 I CA 1.375 62.645 61.300 -0.049 0.000 1.436 67 I CB -1.424 36.556 38.000 -0.032 0.000 1.139 67 I HN 0.162 nan 8.210 nan 0.000 0.438 68 T N -0.785 113.740 114.554 -0.048 0.000 2.759 68 T HA -0.225 4.125 4.350 0.001 0.000 0.269 68 T C 1.757 176.432 174.700 -0.040 0.000 1.042 68 T CA 1.274 63.352 62.100 -0.037 0.000 1.140 68 T CB -0.451 68.398 68.868 -0.032 0.000 0.864 68 T HN 0.342 nan 8.240 nan 0.000 0.455 69 Q N 0.390 120.160 119.800 -0.050 0.000 2.245 69 Q HA -0.024 4.316 4.340 0.001 0.000 0.201 69 Q C 2.523 178.492 176.000 -0.051 0.000 0.955 69 Q CA 0.932 56.706 55.803 -0.048 0.000 0.870 69 Q CB -0.135 28.569 28.738 -0.057 0.000 0.945 69 Q HN 0.722 nan 8.270 nan 0.000 0.461 70 Q N 0.324 120.084 119.800 -0.066 0.000 2.079 70 Q HA -0.162 4.178 4.340 0.001 0.000 0.200 70 Q C 1.912 177.844 176.000 -0.112 0.000 0.974 70 Q CA 0.899 56.654 55.803 -0.080 0.000 0.840 70 Q CB 0.253 28.940 28.738 -0.086 0.000 0.898 70 Q HN 0.146 nan 8.270 nan 0.000 0.430 71 R N -0.039 120.366 120.500 -0.159 0.000 2.070 71 R HA 0.047 4.387 4.340 0.001 0.000 0.233 71 R C 0.973 177.235 176.300 -0.062 0.000 1.137 71 R CA 1.245 57.187 56.100 -0.264 0.000 0.945 71 R CB -1.045 29.055 30.300 -0.334 0.000 0.845 71 R HN 0.441 nan 8.270 nan 0.000 0.430 72 G N -0.267 108.533 108.800 0.000 0.000 2.662 72 G HA2 -0.188 3.772 3.960 0.001 0.000 0.686 72 G HA3 -0.188 3.772 3.960 0.001 0.000 0.686 72 G C 0.251 175.207 174.900 0.094 0.000 1.271 72 G CA -0.141 44.985 45.100 0.043 0.000 0.816 72 G HN 0.066 nan 8.290 nan 0.000 0.608 73 Q N -0.061 119.782 119.800 0.072 0.000 2.029 73 Q HA -0.202 4.138 4.340 0.001 0.000 0.209 73 Q C 2.852 178.908 176.000 0.095 0.000 0.999 73 Q CA 2.799 58.647 55.803 0.075 0.000 0.857 73 Q CB -0.389 28.383 28.738 0.056 0.000 0.926 73 Q HN 0.795 nan 8.270 nan 0.000 0.415 74 Q N -0.981 118.877 119.800 0.097 0.000 2.030 74 Q HA -0.212 4.128 4.340 0.001 0.000 0.204 74 Q C 1.955 178.029 176.000 0.123 0.000 0.986 74 Q CA 1.813 57.673 55.803 0.096 0.000 0.843 74 Q CB -0.409 28.383 28.738 0.089 0.000 0.904 74 Q HN 0.403 nan 8.270 nan 0.000 0.420 75 Y N 1.187 121.513 120.300 0.043 0.000 2.128 75 Y HA -0.246 4.304 4.550 0.001 0.000 0.284 75 Y C 1.792 177.728 175.900 0.059 0.000 1.154 75 Y CA 1.497 59.628 58.100 0.051 0.000 1.149 75 Y CB -0.162 38.321 38.460 0.038 0.000 0.976 75 Y HN 0.023 nan 8.280 nan 0.000 0.505 76 L N -0.172 121.234 121.223 0.305 0.000 2.017 76 L HA -0.220 4.120 4.340 0.001 0.000 0.208 76 L C 2.425 179.347 176.870 0.086 0.000 1.073 76 L CA 1.841 56.805 54.840 0.207 0.000 0.745 76 L CB -0.651 41.500 42.059 0.154 0.000 0.894 76 L HN 0.260 nan 8.230 nan 0.000 0.432 77 E N 0.171 120.410 120.200 0.065 0.000 2.077 77 E HA -0.220 4.131 4.350 0.001 0.000 0.193 77 E C 2.295 178.896 176.600 0.002 0.000 0.989 77 E CA 1.171 57.587 56.400 0.028 0.000 0.800 77 E CB -0.138 29.579 29.700 0.029 0.000 0.746 77 E HN 0.503 nan 8.360 nan 0.000 0.452 78 A N 1.214 124.042 122.820 0.013 0.000 1.898 78 A HA -0.141 4.180 4.320 0.001 0.000 0.216 78 A C 2.158 179.782 177.584 0.066 0.000 1.181 78 A CA 0.889 52.966 52.037 0.066 0.000 0.620 78 A CB -0.531 18.481 19.000 0.020 0.000 0.819 78 A HN 0.231 nan 8.150 nan 0.000 0.442 79 L N -0.607 120.582 121.223 -0.056 0.000 2.109 79 L HA -0.053 4.287 4.340 0.001 0.000 0.207 79 L C 2.282 179.198 176.870 0.077 0.000 1.086 79 L CA 1.169 55.997 54.840 -0.020 0.000 0.760 79 L CB -0.171 41.863 42.059 -0.041 0.000 0.910 79 L HN 0.407 nan 8.230 nan 0.000 0.437 80 I N -1.062 119.555 120.570 0.078 0.000 2.439 80 I HA -0.246 3.925 4.170 0.001 0.000 0.251 80 I C 2.247 178.436 176.117 0.121 0.000 1.139 80 I CA 1.270 62.662 61.300 0.152 0.000 1.438 80 I CB -0.392 37.660 38.000 0.087 0.000 1.085 80 I HN 0.225 nan 8.210 nan 0.000 0.427 81 T N -0.244 114.270 114.554 -0.067 0.000 2.737 81 T HA -0.147 4.203 4.350 0.001 0.000 0.265 81 T C 1.386 175.820 174.700 -0.442 0.000 1.038 81 T CA 1.626 63.533 62.100 -0.322 0.000 1.144 81 T CB -0.188 68.287 68.868 -0.656 0.000 0.866 81 T HN 0.286 nan 8.240 nan 0.000 0.434 82 Y N 0.523 120.824 120.300 0.001 0.000 2.442 82 Y HA 0.444 4.994 4.550 0.000 0.000 0.250 82 Y C 1.688 177.563 175.900 -0.041 0.000 1.113 82 Y CA -0.239 57.843 58.100 -0.031 0.000 1.273 82 Y CB -0.229 38.207 38.460 -0.042 0.000 1.138 82 Y HN 0.358 nan 8.280 nan 0.000 0.522 83 G N 0.897 109.759 108.800 0.103 0.000 2.752 83 G HA2 -0.112 3.848 3.960 0.001 0.000 0.234 83 G HA3 -0.112 3.848 3.960 0.001 0.000 0.234 83 G C -0.133 174.804 174.900 0.062 0.000 1.367 83 G CA -0.069 45.068 45.100 0.062 0.000 0.879 83 G HN 0.589 nan 8.290 nan 0.000 0.563 84 T N -2.620 111.957 114.554 0.038 0.000 2.896 84 T HA 0.775 5.126 4.350 0.001 0.000 0.297 84 T C -1.612 173.092 174.700 0.006 0.000 1.108 84 T CA -0.383 61.735 62.100 0.030 0.000 1.004 84 T CB 2.811 71.707 68.868 0.048 0.000 1.159 84 T HN 0.691 nan 8.240 nan 0.000 0.499 85 P HA 0.199 nan 4.420 nan 0.000 0.247 85 P C 0.541 177.832 177.300 -0.015 0.000 1.225 85 P CA 0.182 63.274 63.100 -0.012 0.000 0.768 85 P CB 0.010 31.703 31.700 -0.011 0.000 1.020 86 L N -0.939 120.279 121.223 -0.008 0.000 2.984 86 L HA 0.419 4.759 4.340 0.001 0.000 0.246 86 L C 1.282 178.132 176.870 -0.033 0.000 1.268 86 L CA 0.263 55.093 54.840 -0.016 0.000 1.054 86 L CB -0.357 41.701 42.059 -0.002 0.000 1.393 86 L HN 0.087 nan 8.230 nan 0.000 0.532 87 G N 0.432 109.208 108.800 -0.040 0.000 2.201 87 G HA2 -0.275 3.685 3.960 0.001 0.000 0.212 87 G HA3 -0.275 3.685 3.960 0.001 0.000 0.212 87 G C -0.005 174.872 174.900 -0.039 0.000 0.994 87 G CA -0.130 44.934 45.100 -0.060 0.000 0.644 87 G HN 0.233 nan 8.290 nan 0.000 0.508 88 M N 3.507 123.108 119.600 0.002 0.000 2.063 88 M HA 0.564 5.045 4.480 0.001 0.000 0.348 88 M C -2.103 174.202 176.300 0.009 0.000 1.180 88 M CA -3.378 51.959 55.300 0.063 0.000 1.059 88 M CB 0.883 33.558 32.600 0.125 0.000 1.544 88 M HN 0.060 nan 8.290 nan 0.000 0.447 89 P HA 0.136 nan 4.420 nan 0.000 0.272 89 P C -1.185 175.862 177.300 -0.421 0.000 1.230 89 P CA -0.151 62.770 63.100 -0.299 0.000 0.788 89 P CB 0.302 31.692 31.700 -0.516 0.000 0.949 90 N N 0.958 119.386 118.700 -0.453 0.000 2.434 90 N HA 0.062 4.803 4.740 0.001 0.000 0.272 90 N C -0.354 174.829 175.510 -0.544 0.000 1.040 90 N CA -0.473 52.376 53.050 -0.334 0.000 0.956 90 N CB 0.755 39.145 38.487 -0.162 0.000 1.108 90 N HN 0.480 nan 8.380 nan 0.000 0.481 91 W N 1.419 122.675 121.300 -0.072 0.000 3.013 91 W HA 0.350 5.011 4.660 0.000 0.000 0.280 91 W C 1.930 178.390 176.519 -0.099 0.000 1.249 91 W CA -0.044 57.256 57.345 -0.074 0.000 1.577 91 W CB 0.365 29.787 29.460 -0.064 0.000 1.057 91 W HN 0.739 nan 8.180 nan 0.000 0.613 92 G N -0.539 108.260 108.800 -0.002 0.000 2.486 92 G HA2 -0.101 3.859 3.960 0.001 0.000 0.210 92 G HA3 -0.101 3.859 3.960 0.001 0.000 0.210 92 G C 1.526 176.359 174.900 -0.111 0.000 1.168 92 G CA 0.826 45.874 45.100 -0.086 0.000 0.820 92 G HN 0.052 nan 8.290 nan 0.000 0.544 93 S N 1.454 117.064 115.700 -0.150 0.000 2.382 93 S HA -0.153 4.318 4.470 0.001 0.000 0.228 93 S C 2.708 177.274 174.600 -0.056 0.000 1.027 93 S CA 1.758 59.913 58.200 -0.075 0.000 0.991 93 S CB -0.266 62.927 63.200 -0.011 0.000 0.823 93 S HN 0.588 nan 8.310 nan 0.000 0.469 94 S N 0.557 116.206 115.700 -0.085 0.000 2.453 94 S HA 0.226 4.697 4.470 0.001 0.000 0.231 94 S C 1.661 176.233 174.600 -0.048 0.000 1.005 94 S CA 0.893 59.042 58.200 -0.085 0.000 0.949 94 S CB -0.464 62.644 63.200 -0.154 0.000 0.774 94 S HN 0.852 nan 8.310 nan 0.000 0.510 95 G N 0.853 109.637 108.800 -0.027 0.000 2.141 95 G HA2 -0.235 3.725 3.960 0.001 0.000 0.242 95 G HA3 -0.235 3.725 3.960 0.001 0.000 0.242 95 G C 0.659 175.574 174.900 0.026 0.000 0.982 95 G CA 0.370 45.469 45.100 -0.003 0.000 0.662 95 G HN 0.412 nan 8.290 nan 0.000 0.527 96 E N -0.421 119.812 120.200 0.055 0.000 2.051 96 E HA 0.043 4.393 4.350 0.001 0.000 0.192 96 E C 1.528 178.215 176.600 0.146 0.000 0.991 96 E CA 0.938 57.417 56.400 0.132 0.000 0.799 96 E CB 0.016 29.864 29.700 0.248 0.000 0.748 96 E HN 0.648 nan 8.360 nan 0.000 0.449 97 L N 0.334 121.651 121.223 0.156 0.000 2.319 97 L HA 0.246 4.586 4.340 0.001 0.000 0.267 97 L C 0.508 177.403 176.870 0.041 0.000 1.011 97 L CA -0.767 54.124 54.840 0.085 0.000 0.818 97 L CB 1.863 43.967 42.059 0.075 0.000 1.316 97 L HN -0.048 nan 8.230 nan 0.000 0.432 98 S N -0.114 115.594 115.700 0.013 0.000 2.669 98 S HA 0.203 4.674 4.470 0.001 0.000 0.270 98 S C 0.621 175.217 174.600 -0.008 0.000 1.225 98 S CA -0.541 57.659 58.200 0.001 0.000 0.991 98 S CB 1.707 64.905 63.200 -0.003 0.000 0.987 98 S HN 0.603 nan 8.310 nan 0.000 0.552 99 K N 0.645 121.038 120.400 -0.012 0.000 2.211 99 K HA -0.006 4.314 4.320 0.001 0.000 0.203 99 K C 1.535 178.129 176.600 -0.010 0.000 1.050 99 K CA 1.490 57.768 56.287 -0.016 0.000 0.945 99 K CB -0.694 31.797 32.500 -0.014 0.000 0.732 99 K HN 0.709 nan 8.250 nan 0.000 0.451 100 E N 0.361 120.556 120.200 -0.008 0.000 2.072 100 E HA -0.103 4.247 4.350 0.001 0.000 0.191 100 E C 2.041 178.632 176.600 -0.016 0.000 0.985 100 E CA 1.308 57.704 56.400 -0.007 0.000 0.801 100 E CB -0.076 29.620 29.700 -0.006 0.000 0.750 100 E HN 0.420 nan 8.360 nan 0.000 0.452 101 Q N -0.131 119.654 119.800 -0.025 0.000 2.123 101 Q HA -0.027 4.313 4.340 0.001 0.000 0.199 101 Q C 2.201 178.169 176.000 -0.053 0.000 0.966 101 Q CA 0.897 56.672 55.803 -0.046 0.000 0.845 101 Q CB -0.044 28.663 28.738 -0.052 0.000 0.907 101 Q HN 0.317 nan 8.270 nan 0.000 0.439 102 I N 0.239 120.788 120.570 -0.036 0.000 2.226 102 I HA -0.255 3.916 4.170 0.001 0.000 0.245 102 I C 2.082 178.190 176.117 -0.016 0.000 1.100 102 I CA 1.107 62.388 61.300 -0.031 0.000 1.374 102 I CB -0.305 37.683 38.000 -0.020 0.000 1.057 102 I HN 0.192 nan 8.210 nan 0.000 0.413 103 T N 1.288 115.839 114.554 -0.006 0.000 2.833 103 T HA -0.110 4.240 4.350 0.001 0.000 0.269 103 T C 1.932 176.643 174.700 0.018 0.000 1.054 103 T CA 1.175 63.282 62.100 0.011 0.000 1.135 103 T CB -0.199 68.677 68.868 0.014 0.000 0.869 103 T HN 0.245 nan 8.240 nan 0.000 0.466 104 L N 0.137 121.359 121.223 -0.001 0.000 2.072 104 L HA -0.042 4.298 4.340 0.001 0.000 0.205 104 L C 2.645 179.519 176.870 0.006 0.000 1.079 104 L CA 0.757 55.596 54.840 -0.001 0.000 0.752 104 L CB -0.433 41.603 42.059 -0.039 0.000 0.906 104 L HN 0.246 nan 8.230 nan 0.000 0.436 105 M N -0.436 119.147 119.600 -0.028 0.000 2.117 105 M HA -0.135 4.346 4.480 0.001 0.000 0.262 105 M C 2.566 178.900 176.300 0.057 0.000 1.065 105 M CA 1.850 57.141 55.300 -0.015 0.000 1.114 105 M CB -1.425 31.122 32.600 -0.087 0.000 1.361 105 M HN 0.263 nan 8.290 nan 0.000 0.408 106 A N 0.244 123.089 122.820 0.042 0.000 1.933 106 A HA -0.164 4.156 4.320 0.001 0.000 0.218 106 A C 2.320 179.950 177.584 0.076 0.000 1.175 106 A CA 1.534 53.605 52.037 0.057 0.000 0.628 106 A CB -0.464 18.569 19.000 0.054 0.000 0.814 106 A HN 0.484 nan 8.150 nan 0.000 0.444 107 K N -1.914 118.543 120.400 0.095 0.000 2.062 107 K HA -0.087 4.233 4.320 0.001 0.000 0.205 107 K C 1.970 178.695 176.600 0.209 0.000 1.051 107 K CA 1.354 57.726 56.287 0.142 0.000 0.941 107 K CB -0.348 32.237 32.500 0.142 0.000 0.719 107 K HN 0.584 nan 8.250 nan 0.000 0.440 108 Y N 2.665 122.961 120.300 -0.007 0.000 2.097 108 Y HA -0.209 4.342 4.550 0.000 0.000 0.282 108 Y C 1.889 177.750 175.900 -0.065 0.000 1.152 108 Y CA 1.691 59.714 58.100 -0.129 0.000 1.136 108 Y CB -0.284 38.004 38.460 -0.285 0.000 0.975 108 Y HN 0.042 nan 8.280 nan 0.000 0.498 109 I N -1.174 119.349 120.570 -0.077 0.000 3.241 109 I HA -0.130 4.040 4.170 0.001 0.000 0.280 109 I C 1.375 177.425 176.117 -0.112 0.000 1.320 109 I CA 1.124 62.321 61.300 -0.171 0.000 1.413 109 I CB -0.529 37.429 38.000 -0.070 0.000 1.060 109 I HN 0.332 nan 8.210 nan 0.000 0.500 110 Q N 0.094 119.876 119.800 -0.030 0.000 2.360 110 Q HA 0.184 4.525 4.340 0.001 0.000 0.202 110 Q C 0.154 176.095 176.000 -0.099 0.000 0.915 110 Q CA 0.136 55.910 55.803 -0.047 0.000 0.943 110 Q CB 0.240 28.960 28.738 -0.029 0.000 1.064 110 Q HN 0.667 nan 8.270 nan 0.000 0.511 111 H N -0.157 118.825 119.070 -0.147 0.000 2.544 111 H HA 0.223 4.779 4.556 0.000 0.000 0.342 111 H C -0.077 175.161 175.328 -0.151 0.000 1.185 111 H CA -0.485 55.500 56.048 -0.105 0.000 1.264 111 H CB 1.428 31.183 29.762 -0.012 0.000 1.607 111 H HN -0.056 nan 8.280 nan 0.000 0.550 112 T N 3.607 118.183 114.554 0.038 0.000 2.940 112 T HA 0.054 4.404 4.350 0.001 0.000 0.309 112 T C -2.166 172.508 174.700 -0.043 0.000 1.056 112 T CA -0.821 61.270 62.100 -0.015 0.000 1.137 112 T CB 0.182 69.053 68.868 0.006 0.000 0.976 112 T HN 0.302 nan 8.240 nan 0.000 0.547 113 P HA 0.243 nan 4.420 nan 0.000 0.271 113 P C -2.366 174.930 177.300 -0.006 0.000 1.226 113 P CA -1.125 61.900 63.100 -0.124 0.000 0.765 113 P CB -0.224 31.405 31.700 -0.118 0.000 0.835 114 P HA 0.096 nan 4.420 nan 0.000 0.271 114 P C -0.487 176.863 177.300 0.083 0.000 1.216 114 P CA 0.035 63.224 63.100 0.148 0.000 0.771 114 P CB 0.435 32.315 31.700 0.300 0.000 0.864 115 Q N 3.491 123.327 119.800 0.060 0.000 2.274 115 Q HA 0.341 4.681 4.340 0.001 0.000 0.256 115 Q C -1.954 174.053 176.000 0.010 0.000 0.927 115 Q CA -1.432 54.391 55.803 0.033 0.000 0.939 115 Q CB 0.491 29.287 28.738 0.097 0.000 1.201 115 Q HN 0.397 nan 8.270 nan 0.000 0.426 116 P HA 0.326 nan 4.420 nan 0.000 0.279 116 P C -2.384 175.036 177.300 0.201 0.000 1.276 116 P CA -1.119 61.932 63.100 -0.081 0.000 0.801 116 P CB -0.068 31.364 31.700 -0.447 0.000 1.127 117 P HA 0.195 nan 4.420 nan 0.000 0.278 117 P C -0.409 177.187 177.300 0.493 0.000 1.258 117 P CA -0.206 63.091 63.100 0.328 0.000 0.811 117 P CB 0.906 32.761 31.700 0.258 0.000 1.063 118 E N 0.062 120.462 120.200 0.333 0.000 2.385 118 E HA 0.191 4.541 4.350 0.001 0.000 0.254 118 E C -0.731 176.051 176.600 0.303 0.000 1.228 118 E CA 0.061 56.607 56.400 0.243 0.000 0.956 118 E CB 0.614 30.383 29.700 0.114 0.000 1.116 118 E HN 0.582 nan 8.360 nan 0.000 0.507 119 W N 0.880 122.171 121.300 -0.016 0.000 2.409 119 W HA 0.374 5.034 4.660 0.001 0.000 0.285 119 W C -0.661 175.833 176.519 -0.043 0.000 1.030 119 W CA -0.339 57.001 57.345 -0.008 0.000 1.330 119 W CB 0.800 30.261 29.460 0.003 0.000 1.236 119 W HN 0.536 nan 8.180 nan 0.000 0.341 120 G N 1.978 110.654 108.800 -0.207 0.000 2.583 120 G HA2 0.273 4.233 3.960 0.001 0.000 0.280 120 G HA3 0.273 4.233 3.960 0.001 0.000 0.280 120 G C 0.439 175.195 174.900 -0.239 0.000 1.376 120 G CA -0.399 44.599 45.100 -0.170 0.000 1.043 120 G HN 0.366 nan 8.290 nan 0.000 0.538 121 M N 0.305 119.811 119.600 -0.157 0.000 2.108 121 M HA 0.026 4.506 4.480 0.001 0.000 0.261 121 M C -0.407 175.795 176.300 -0.163 0.000 1.066 121 M CA 1.676 56.894 55.300 -0.137 0.000 1.107 121 M CB -1.040 31.501 32.600 -0.098 0.000 1.356 121 M HN 0.267 nan 8.290 nan 0.000 0.406 122 P HA -0.120 nan 4.420 nan 0.000 0.216 122 P C 0.966 178.107 177.300 -0.264 0.000 1.153 122 P CA 1.424 64.421 63.100 -0.172 0.000 0.848 122 P CB -0.015 31.593 31.700 -0.155 0.000 0.787 123 E N -1.322 118.578 120.200 -0.501 0.000 2.072 123 E HA -0.114 4.237 4.350 0.001 0.000 0.191 123 E C 2.069 178.289 176.600 -0.634 0.000 0.985 123 E CA 1.228 57.095 56.400 -0.889 0.000 0.801 123 E CB -0.722 27.825 29.700 -1.921 0.000 0.750 123 E HN 0.195 nan 8.360 nan 0.000 0.452 124 M N -0.054 119.289 119.600 -0.429 0.000 2.086 124 M HA -0.160 4.320 4.480 0.001 0.000 0.261 124 M C 2.184 178.544 176.300 0.100 0.000 1.067 124 M CA 1.541 56.860 55.300 0.032 0.000 1.116 124 M CB -0.161 32.468 32.600 0.049 0.000 1.348 124 M HN 0.006 nan 8.290 nan 0.000 0.407 125 R N -0.315 120.207 120.500 0.036 0.000 2.120 125 R HA -0.181 4.159 4.340 0.001 0.000 0.234 125 R C 2.049 178.465 176.300 0.194 0.000 1.123 125 R CA 1.413 57.612 56.100 0.165 0.000 0.975 125 R CB -0.378 29.983 30.300 0.102 0.000 0.866 125 R HN 0.300 nan 8.270 nan 0.000 0.446 126 E N 0.976 121.217 120.200 0.069 0.000 2.106 126 E HA -0.137 4.214 4.350 0.001 0.000 0.192 126 E C 1.735 178.407 176.600 0.119 0.000 0.984 126 E CA 1.843 58.278 56.400 0.058 0.000 0.806 126 E CB -0.016 29.672 29.700 -0.020 0.000 0.750 126 E HN 0.263 nan 8.360 nan 0.000 0.458 127 S N -1.053 114.760 115.700 0.189 0.000 2.527 127 S HA -0.023 4.447 4.470 0.001 0.000 0.222 127 S C 0.469 175.230 174.600 0.268 0.000 0.985 127 S CA -0.255 58.095 58.200 0.250 0.000 0.921 127 S CB -0.505 62.931 63.200 0.394 0.000 0.772 127 S HN 0.395 nan 8.310 nan 0.000 0.529 128 W N 3.410 124.752 121.300 0.070 0.000 2.253 128 W HA 0.494 5.154 4.660 0.000 0.000 0.322 128 W C -0.527 176.011 176.519 0.032 0.000 1.342 128 W CA -0.933 56.440 57.345 0.048 0.000 1.218 128 W CB 0.185 29.665 29.460 0.033 0.000 1.205 128 W HN 0.025 nan 8.180 nan 0.000 0.551 129 K N 4.999 125.251 120.400 -0.247 0.000 2.535 129 K HA 0.387 4.708 4.320 0.001 0.000 0.250 129 K C -1.574 174.801 176.600 -0.376 0.000 0.948 129 K CA -1.025 55.034 56.287 -0.380 0.000 0.796 129 K CB 2.235 34.660 32.500 -0.125 0.000 1.216 129 K HN 0.113 nan 8.250 nan 0.000 0.432 130 V N 5.491 125.127 119.914 -0.463 0.000 2.304 130 V HA 0.136 4.256 4.120 0.001 0.000 0.269 130 V C 1.184 177.190 176.094 -0.146 0.000 1.036 130 V CA -0.329 61.822 62.300 -0.248 0.000 0.840 130 V CB 0.493 32.154 31.823 -0.269 0.000 1.036 130 V HN 0.768 nan 8.190 nan 0.000 0.466 131 L N 4.343 125.522 121.223 -0.074 0.000 2.109 131 L HA 0.094 4.435 4.340 0.001 0.000 0.207 131 L C 0.354 177.210 176.870 -0.023 0.000 1.086 131 L CA 1.099 55.914 54.840 -0.041 0.000 0.760 131 L CB 0.046 42.098 42.059 -0.011 0.000 0.910 131 L HN 0.433 nan 8.230 nan 0.000 0.437 132 V N 0.265 120.174 119.914 -0.009 0.000 2.567 132 V HA 0.202 4.323 4.120 0.001 0.000 0.298 132 V C -0.323 175.778 176.094 0.012 0.000 1.047 132 V CA -1.138 61.168 62.300 0.010 0.000 0.880 132 V CB 1.650 33.497 31.823 0.039 0.000 1.009 132 V HN 0.101 nan 8.190 nan 0.000 0.429 133 K N 4.849 125.251 120.400 0.004 0.000 2.414 133 K HA 0.153 4.473 4.320 0.001 0.000 0.272 133 K C -1.652 174.968 176.600 0.032 0.000 0.993 133 K CA -1.140 55.154 56.287 0.011 0.000 0.964 133 K CB 0.771 33.275 32.500 0.005 0.000 0.925 133 K HN 0.306 nan 8.250 nan 0.000 0.487 134 P HA -0.211 nan 4.420 nan 0.000 0.217 134 P C 0.220 177.554 177.300 0.057 0.000 1.148 134 P CA 1.402 64.531 63.100 0.047 0.000 0.834 134 P CB 0.263 31.981 31.700 0.030 0.000 0.783 135 E N -0.882 119.345 120.200 0.044 0.000 2.107 135 E HA -0.125 4.225 4.350 0.001 0.000 0.191 135 E C 1.410 178.038 176.600 0.047 0.000 0.982 135 E CA 1.023 57.448 56.400 0.043 0.000 0.809 135 E CB -0.791 28.927 29.700 0.031 0.000 0.756 135 E HN 0.310 nan 8.360 nan 0.000 0.459 136 D N 0.358 120.784 120.400 0.045 0.000 2.355 136 D HA 0.019 4.659 4.640 0.001 0.000 0.218 136 D C 0.237 176.575 176.300 0.063 0.000 1.004 136 D CA 0.251 54.278 54.000 0.045 0.000 0.880 136 D CB 0.140 40.960 40.800 0.033 0.000 0.911 136 D HN 0.092 nan 8.370 nan 0.000 0.528 137 R N 1.067 121.616 120.500 0.082 0.000 2.615 137 R HA 0.323 4.663 4.340 0.001 0.000 0.270 137 R C -2.219 174.157 176.300 0.126 0.000 1.081 137 R CA -1.355 54.812 56.100 0.112 0.000 1.154 137 R CB -0.027 30.358 30.300 0.142 0.000 1.063 137 R HN -0.113 nan 8.270 nan 0.000 0.519 138 P HA 0.003 nan 4.420 nan 0.000 0.269 138 P C -0.117 177.326 177.300 0.239 0.000 1.215 138 P CA -0.025 63.179 63.100 0.172 0.000 0.780 138 P CB 0.631 32.451 31.700 0.201 0.000 0.898 139 K N 1.275 121.779 120.400 0.173 0.000 2.393 139 K HA 0.081 4.401 4.320 0.001 0.000 0.193 139 K C 0.597 177.303 176.600 0.176 0.000 1.026 139 K CA 0.731 57.132 56.287 0.190 0.000 1.064 139 K CB 0.076 32.634 32.500 0.097 0.000 0.833 139 K HN 0.584 nan 8.250 nan 0.000 0.521 140 K N -0.931 119.473 120.400 0.007 0.000 2.578 140 K HA 0.192 4.513 4.320 0.001 0.000 0.287 140 K C -1.020 175.174 176.600 -0.676 0.000 1.010 140 K CA -0.877 55.076 56.287 -0.557 0.000 0.889 140 K CB 1.024 33.304 32.500 -0.368 0.000 1.514 140 K HN -0.212 nan 8.250 nan 0.000 0.424 141 Q N 1.471 120.542 119.800 -1.215 0.000 2.255 141 Q HA 0.081 4.421 4.340 0.001 0.000 0.280 141 Q C -0.148 175.662 176.000 -0.317 0.000 1.068 141 Q CA -0.043 55.277 55.803 -0.804 0.000 0.911 141 Q CB 0.412 28.669 28.738 -0.802 0.000 1.157 141 Q HN 0.656 nan 8.270 nan 0.000 0.380 142 L N 3.335 124.478 121.223 -0.133 0.000 2.607 142 L HA 0.156 4.496 4.340 0.001 0.000 0.228 142 L C -0.021 176.825 176.870 -0.040 0.000 1.123 142 L CA -0.190 54.612 54.840 -0.064 0.000 0.890 142 L CB -0.457 41.597 42.059 -0.008 0.000 1.103 142 L HN 0.622 nan 8.230 nan 0.000 0.468 143 N N -1.904 116.771 118.700 -0.042 0.000 2.545 143 N HA 0.220 4.961 4.740 0.001 0.000 0.289 143 N C -0.319 175.171 175.510 -0.033 0.000 1.279 143 N CA -0.776 52.264 53.050 -0.017 0.000 0.824 143 N CB 0.659 39.156 38.487 0.016 0.000 1.395 143 N HN -0.049 nan 8.380 nan 0.000 0.526 144 D N -0.443 119.948 120.400 -0.015 0.000 2.559 144 D HA 0.156 4.797 4.640 0.001 0.000 0.234 144 D C -0.332 175.969 176.300 0.001 0.000 1.226 144 D CA -0.309 53.680 54.000 -0.018 0.000 0.830 144 D CB -0.397 40.393 40.800 -0.017 0.000 1.028 144 D HN 0.396 nan 8.370 nan 0.000 0.492 145 L N 0.324 121.555 121.223 0.015 0.000 2.464 145 L HA 0.148 4.488 4.340 0.001 0.000 0.264 145 L C 0.731 177.622 176.870 0.034 0.000 1.199 145 L CA -0.253 54.607 54.840 0.033 0.000 0.818 145 L CB 0.580 42.669 42.059 0.050 0.000 1.102 145 L HN -0.090 nan 8.230 nan 0.000 0.473 146 D N 1.949 122.375 120.400 0.043 0.000 2.563 146 D HA 0.148 4.788 4.640 0.001 0.000 0.222 146 D C 1.156 177.490 176.300 0.056 0.000 1.145 146 D CA -0.045 53.980 54.000 0.043 0.000 1.001 146 D CB 0.406 41.231 40.800 0.041 0.000 1.049 146 D HN 0.393 nan 8.370 nan 0.000 0.515 147 L N 2.790 124.054 121.223 0.069 0.000 2.021 147 L HA -0.166 4.174 4.340 0.001 0.000 0.215 147 L C -0.492 176.423 176.870 0.075 0.000 1.074 147 L CA 1.379 56.270 54.840 0.084 0.000 0.760 147 L CB -1.551 40.583 42.059 0.124 0.000 0.889 147 L HN 0.314 nan 8.230 nan 0.000 0.433 148 P HA -0.148 nan 4.420 nan 0.000 0.219 148 P C 0.877 178.198 177.300 0.034 0.000 1.146 148 P CA 1.325 64.503 63.100 0.130 0.000 0.808 148 P CB -0.015 31.782 31.700 0.163 0.000 0.779 149 N N -1.412 117.288 118.700 -0.000 0.000 2.251 149 N HA 0.069 4.809 4.740 0.001 0.000 0.217 149 N C -0.184 175.297 175.510 -0.049 0.000 1.124 149 N CA -0.194 52.826 53.050 -0.050 0.000 0.843 149 N CB -0.481 38.024 38.487 0.030 0.000 1.024 149 N HN -0.077 nan 8.380 nan 0.000 0.501 150 L N 0.486 121.678 121.223 -0.051 0.000 2.436 150 L HA 0.401 4.742 4.340 0.001 0.000 0.265 150 L C -0.770 176.016 176.870 -0.140 0.000 1.168 150 L CA 0.196 55.045 54.840 0.015 0.000 0.815 150 L CB 0.251 42.331 42.059 0.035 0.000 1.109 150 L HN -0.018 nan 8.230 nan 0.000 0.462 151 F N 1.578 121.456 119.950 -0.120 0.000 2.477 151 F HA 0.319 4.846 4.527 0.001 0.000 0.335 151 F C 0.279 176.048 175.800 -0.051 0.000 1.130 151 F CA -0.476 57.422 58.000 -0.170 0.000 0.948 151 F CB 1.884 40.649 39.000 -0.392 0.000 1.154 151 F HN 0.327 nan 8.300 nan 0.000 0.439 152 S N 3.732 119.521 115.700 0.148 0.000 2.399 152 S HA 0.584 5.055 4.470 0.001 0.000 0.301 152 S C -0.739 173.970 174.600 0.182 0.000 1.093 152 S CA -0.439 57.853 58.200 0.154 0.000 1.077 152 S CB -0.102 63.183 63.200 0.142 0.000 0.980 152 S HN 0.360 nan 8.310 nan 0.000 0.494 153 V N 5.350 125.339 119.914 0.125 0.000 2.435 153 V HA 0.385 4.505 4.120 0.001 0.000 0.290 153 V C 0.563 176.684 176.094 0.046 0.000 1.030 153 V CA -0.741 61.603 62.300 0.073 0.000 0.881 153 V CB 1.856 33.716 31.823 0.061 0.000 0.983 153 V HN 0.784 nan 8.190 nan 0.000 0.445 154 T N 6.418 120.977 114.554 0.008 0.000 2.794 154 T HA 0.405 4.755 4.350 0.001 0.000 0.296 154 T C 0.262 174.923 174.700 -0.066 0.000 0.949 154 T CA -0.070 62.011 62.100 -0.031 0.000 1.101 154 T CB 0.185 69.008 68.868 -0.075 0.000 0.905 154 T HN 0.411 nan 8.240 nan 0.000 0.516 155 L N 4.694 125.891 121.223 -0.042 0.000 2.657 155 L HA 0.347 4.687 4.340 0.001 0.000 0.239 155 L C 1.955 178.789 176.870 -0.060 0.000 1.215 155 L CA -0.533 54.289 54.840 -0.030 0.000 1.161 155 L CB -0.214 41.850 42.059 0.008 0.000 1.436 155 L HN 0.681 nan 8.230 nan 0.000 0.414 156 R N 1.040 121.469 120.500 -0.118 0.000 2.383 156 R HA -0.273 4.067 4.340 0.001 0.000 0.213 156 R C 1.118 177.291 176.300 -0.211 0.000 1.056 156 R CA 2.789 58.778 56.100 -0.186 0.000 0.805 156 R CB 0.001 30.199 30.300 -0.170 0.000 0.844 156 R HN 0.513 nan 8.270 nan 0.000 0.417 157 D N -0.690 119.677 120.400 -0.055 0.000 2.311 157 D HA -0.101 4.539 4.640 0.001 0.000 0.212 157 D C 1.298 177.712 176.300 0.189 0.000 0.972 157 D CA 1.302 55.354 54.000 0.087 0.000 0.887 157 D CB -0.071 40.846 40.800 0.195 0.000 0.915 157 D HN 0.477 nan 8.370 nan 0.000 0.497 158 A N -0.189 122.687 122.820 0.094 0.000 2.178 158 A HA 0.409 4.729 4.320 0.001 0.000 0.211 158 A C 1.712 179.368 177.584 0.121 0.000 1.157 158 A CA 0.749 52.855 52.037 0.114 0.000 0.780 158 A CB -0.335 18.709 19.000 0.073 0.000 0.828 158 A HN 0.213 nan 8.150 nan 0.000 0.476 159 G N -0.606 108.242 108.800 0.080 0.000 2.314 159 G HA2 -0.207 3.753 3.960 0.001 0.000 0.292 159 G HA3 -0.207 3.753 3.960 0.001 0.000 0.292 159 G C -0.179 174.756 174.900 0.058 0.000 1.059 159 G CA 0.664 45.820 45.100 0.092 0.000 0.982 159 G HN 0.700 nan 8.290 nan 0.000 0.505 160 Q N -1.679 118.135 119.800 0.024 0.000 2.693 160 Q HA 0.775 5.115 4.340 0.001 0.000 0.306 160 Q C -0.290 175.719 176.000 0.014 0.000 0.969 160 Q CA -0.861 54.959 55.803 0.028 0.000 0.757 160 Q CB 1.980 30.741 28.738 0.039 0.000 1.494 160 Q HN 0.876 nan 8.270 nan 0.000 0.459 161 I N -2.628 117.958 120.570 0.027 0.000 2.894 161 I HA 0.952 5.122 4.170 0.001 0.000 0.302 161 I C -1.586 174.558 176.117 0.045 0.000 1.188 161 I CA -0.817 60.502 61.300 0.033 0.000 1.014 161 I CB 2.351 40.374 38.000 0.039 0.000 1.242 161 I HN 0.564 nan 8.210 nan 0.000 0.430 162 A N 5.178 128.031 122.820 0.055 0.000 2.371 162 A HA 0.833 5.153 4.320 0.001 0.000 0.311 162 A C -1.033 176.600 177.584 0.082 0.000 1.068 162 A CA -0.644 51.432 52.037 0.064 0.000 0.744 162 A CB 1.193 20.229 19.000 0.061 0.000 1.239 162 A HN 0.796 nan 8.150 nan 0.000 0.435 163 L N 2.812 124.084 121.223 0.083 0.000 2.260 163 L HA 0.441 4.781 4.340 0.001 0.000 0.289 163 L C -0.761 176.177 176.870 0.113 0.000 1.057 163 L CA -0.623 54.275 54.840 0.097 0.000 0.811 163 L CB 1.223 43.332 42.059 0.083 0.000 1.184 163 L HN 0.434 nan 8.230 nan 0.000 0.429 164 V N 2.619 122.622 119.914 0.150 0.000 2.417 164 V HA 0.173 4.294 4.120 0.001 0.000 0.291 164 V C 0.110 176.331 176.094 0.212 0.000 1.024 164 V CA -0.775 61.629 62.300 0.174 0.000 0.861 164 V CB 1.945 33.889 31.823 0.201 0.000 0.985 164 V HN 0.664 nan 8.190 nan 0.000 0.436 165 D N 3.627 124.138 120.400 0.186 0.000 2.401 165 D HA 0.082 4.722 4.640 0.001 0.000 0.254 165 D C 1.279 177.744 176.300 0.273 0.000 1.192 165 D CA 0.687 54.800 54.000 0.189 0.000 0.885 165 D CB 2.047 42.927 40.800 0.133 0.000 1.147 165 D HN 0.669 nan 8.370 nan 0.000 0.478 166 G N 4.198 113.185 108.800 0.311 0.000 2.491 166 G HA2 -0.294 3.667 3.960 0.001 0.000 0.218 166 G HA3 -0.294 3.667 3.960 0.001 0.000 0.218 166 G C 1.129 176.256 174.900 0.378 0.000 1.180 166 G CA 0.625 45.978 45.100 0.422 0.000 0.774 166 G HN 0.525 nan 8.290 nan 0.000 0.562 167 D N 0.211 120.747 120.400 0.227 0.000 2.137 167 D HA -0.060 4.580 4.640 0.001 0.000 0.202 167 D C 2.969 179.335 176.300 0.111 0.000 0.970 167 D CA 1.463 55.556 54.000 0.155 0.000 0.837 167 D CB -0.327 40.535 40.800 0.102 0.000 0.981 167 D HN 0.456 nan 8.370 nan 0.000 0.475 168 S N -0.068 115.695 115.700 0.105 0.000 2.489 168 S HA -0.051 4.419 4.470 0.001 0.000 0.228 168 S C 0.935 175.568 174.600 0.055 0.000 0.995 168 S CA 0.360 58.600 58.200 0.067 0.000 0.934 168 S CB 0.138 63.374 63.200 0.060 0.000 0.771 168 S HN -0.061 nan 8.310 nan 0.000 0.522 169 K N 0.081 120.540 120.400 0.098 0.000 3.209 169 K HA -0.117 4.204 4.320 0.001 0.000 0.289 169 K C -0.684 175.940 176.600 0.041 0.000 1.191 169 K CA 1.071 57.386 56.287 0.047 0.000 0.851 169 K CB -1.932 30.514 32.500 -0.091 0.000 1.242 169 K HN 0.641 nan 8.250 nan 0.000 0.480 170 K N -0.149 120.296 120.400 0.076 0.000 2.267 170 K HA 0.501 4.821 4.320 0.001 0.000 0.246 170 K C 0.029 176.677 176.600 0.081 0.000 0.954 170 K CA -0.957 55.365 56.287 0.059 0.000 0.824 170 K CB 1.627 34.153 32.500 0.043 0.000 1.167 170 K HN -0.028 nan 8.250 nan 0.000 0.431 171 I N 2.668 123.278 120.570 0.066 0.000 2.517 171 I HA -0.085 4.085 4.170 0.001 0.000 0.285 171 I C 1.080 177.236 176.117 0.064 0.000 1.106 171 I CA 0.020 61.362 61.300 0.070 0.000 1.402 171 I CB 0.843 38.877 38.000 0.057 0.000 1.399 171 I HN 0.473 nan 8.210 nan 0.000 0.535 172 V N 5.529 125.486 119.914 0.072 0.000 2.825 172 V HA 0.035 4.155 4.120 0.001 0.000 0.246 172 V C 0.424 176.552 176.094 0.056 0.000 1.068 172 V CA 1.083 63.421 62.300 0.063 0.000 1.088 172 V CB -0.227 31.638 31.823 0.070 0.000 0.733 172 V HN 0.760 nan 8.190 nan 0.000 0.468 173 K N -0.747 119.688 120.400 0.059 0.000 2.583 173 K HA 0.468 4.788 4.320 0.001 0.000 0.260 173 K C -1.843 174.789 176.600 0.054 0.000 0.931 173 K CA -0.267 56.052 56.287 0.053 0.000 0.849 173 K CB 2.079 34.612 32.500 0.054 0.000 1.347 173 K HN -0.183 nan 8.250 nan 0.000 0.425 174 V N 5.426 125.369 119.914 0.048 0.000 2.417 174 V HA 0.584 4.704 4.120 0.001 0.000 0.291 174 V C -0.236 175.885 176.094 0.045 0.000 1.024 174 V CA -0.635 61.693 62.300 0.047 0.000 0.861 174 V CB 1.268 33.117 31.823 0.044 0.000 0.985 174 V HN 0.662 nan 8.190 nan 0.000 0.436 175 I N 3.264 123.861 120.570 0.045 0.000 2.474 175 I HA 0.420 4.591 4.170 0.001 0.000 0.294 175 I C -0.564 175.579 176.117 0.043 0.000 1.005 175 I CA -0.754 60.572 61.300 0.044 0.000 1.113 175 I CB 2.113 40.140 38.000 0.045 0.000 1.289 175 I HN 0.478 nan 8.210 nan 0.000 0.436 176 D N 4.472 124.898 120.400 0.043 0.000 2.351 176 D HA 0.315 4.955 4.640 0.001 0.000 0.251 176 D C 0.289 176.616 176.300 0.046 0.000 1.137 176 D CA 0.364 54.392 54.000 0.047 0.000 0.879 176 D CB 1.580 42.408 40.800 0.047 0.000 1.181 176 D HN 0.690 nan 8.370 nan 0.000 0.448 177 T N -1.505 113.078 114.554 0.049 0.000 2.591 177 T HA 0.657 5.007 4.350 0.001 0.000 0.274 177 T C 0.567 175.302 174.700 0.059 0.000 0.945 177 T CA -0.906 61.221 62.100 0.044 0.000 1.087 177 T CB 0.877 69.763 68.868 0.029 0.000 1.416 177 T HN 0.206 nan 8.240 nan 0.000 0.514 178 G N -0.749 108.083 108.800 0.052 0.000 2.616 178 G HA2 0.429 4.390 3.960 0.001 0.000 0.268 178 G HA3 0.429 4.390 3.960 0.001 0.000 0.268 178 G C -1.108 173.857 174.900 0.109 0.000 1.213 178 G CA -0.603 44.543 45.100 0.077 0.000 0.926 178 G HN 0.688 nan 8.290 nan 0.000 0.523 179 Y N 0.836 121.148 120.300 0.019 0.000 2.526 179 Y HA 0.317 4.867 4.550 0.000 0.000 0.330 179 Y C 0.911 176.835 175.900 0.040 0.000 1.156 179 Y CA 0.233 58.352 58.100 0.031 0.000 1.419 179 Y CB 0.423 38.902 38.460 0.033 0.000 1.250 179 Y HN 1.251 nan 8.280 nan 0.000 0.540 180 A N 4.036 126.428 122.820 -0.714 0.000 2.362 180 A HA -0.167 4.154 4.320 0.001 0.000 0.290 180 A C 0.053 177.525 177.584 -0.187 0.000 1.441 180 A CA 0.573 52.298 52.037 -0.520 0.000 0.743 180 A CB -2.506 16.129 19.000 -0.608 0.000 1.125 180 A HN 0.666 nan 8.150 nan 0.000 0.378 181 V N 1.656 121.496 119.914 -0.124 0.000 2.681 181 V HA -0.084 4.036 4.120 0.001 0.000 0.306 181 V C 1.719 177.789 176.094 -0.040 0.000 1.077 181 V CA 1.633 63.905 62.300 -0.047 0.000 1.224 181 V CB 0.474 32.277 31.823 -0.034 0.000 0.879 181 V HN 0.847 nan 8.190 nan 0.000 0.494 182 H N 4.253 123.288 119.070 -0.058 0.000 2.388 182 H HA 0.379 4.935 4.556 0.001 0.000 0.304 182 H C 0.586 175.927 175.328 0.022 0.000 1.049 182 H CA 1.337 57.370 56.048 -0.025 0.000 1.371 182 H CB 0.484 30.218 29.762 -0.047 0.000 1.436 182 H HN 0.689 nan 8.280 nan 0.000 0.544 183 I N -3.040 117.550 120.570 0.034 0.000 3.095 183 I HA 0.565 4.735 4.170 0.001 0.000 0.310 183 I C -1.183 174.695 176.117 -0.399 0.000 1.196 183 I CA -1.022 60.156 61.300 -0.203 0.000 0.985 183 I CB 2.782 40.638 38.000 -0.241 0.000 1.250 183 I HN -0.225 nan 8.210 nan 0.000 0.446 184 S N 2.285 117.424 115.700 -0.936 0.000 2.532 184 S HA 0.705 5.175 4.470 0.001 0.000 0.299 184 S C -0.784 173.427 174.600 -0.648 0.000 1.105 184 S CA -0.795 57.053 58.200 -0.587 0.000 1.018 184 S CB 1.535 64.554 63.200 -0.302 0.000 1.021 184 S HN 0.464 nan 8.310 nan 0.000 0.483 185 R N 1.690 121.995 120.500 -0.325 0.000 2.837 185 R HA 0.562 4.902 4.340 0.001 0.000 0.271 185 R C -1.011 175.217 176.300 -0.121 0.000 0.993 185 R CA -0.826 55.140 56.100 -0.223 0.000 0.931 185 R CB 1.288 31.479 30.300 -0.181 0.000 1.206 185 R HN 0.482 nan 8.270 nan 0.000 0.474 186 M N 0.812 120.361 119.600 -0.085 0.000 2.472 186 M HA 0.298 4.778 4.480 0.001 0.000 0.331 186 M C 0.551 176.822 176.300 -0.049 0.000 1.170 186 M CA -0.669 54.596 55.300 -0.059 0.000 1.009 186 M CB 1.789 34.349 32.600 -0.066 0.000 1.672 186 M HN 0.698 nan 8.290 nan 0.000 0.453 187 S N 1.225 116.912 115.700 -0.023 0.000 2.614 187 S HA 0.450 4.920 4.470 0.001 0.000 0.265 187 S C 1.122 175.695 174.600 -0.044 0.000 1.303 187 S CA -0.084 58.111 58.200 -0.008 0.000 1.000 187 S CB 0.795 64.030 63.200 0.059 0.000 0.935 187 S HN 0.738 nan 8.310 nan 0.000 0.551 188 A N 1.409 124.209 122.820 -0.033 0.000 2.125 188 A HA -0.004 4.316 4.320 0.001 0.000 0.219 188 A C 2.255 179.809 177.584 -0.050 0.000 1.156 188 A CA 1.507 53.515 52.037 -0.049 0.000 0.671 188 A CB -1.274 17.719 19.000 -0.011 0.000 0.794 188 A HN 1.298 nan 8.150 nan 0.000 0.459 189 S N -2.159 113.516 115.700 -0.043 0.000 2.558 189 S HA 0.356 4.826 4.470 0.001 0.000 0.217 189 S C 1.498 176.061 174.600 -0.062 0.000 0.975 189 S CA 1.045 59.215 58.200 -0.050 0.000 0.912 189 S CB -0.323 62.823 63.200 -0.091 0.000 0.776 189 S HN 1.844 nan 8.310 nan 0.000 0.526 190 G N 1.901 110.654 108.800 -0.078 0.000 2.168 190 G HA2 -0.359 3.601 3.960 0.001 0.000 0.263 190 G HA3 -0.359 3.601 3.960 0.001 0.000 0.263 190 G C 0.797 175.628 174.900 -0.115 0.000 0.977 190 G CA 0.561 45.631 45.100 -0.050 0.000 0.659 190 G HN 0.620 nan 8.290 nan 0.000 0.533 191 R N -1.154 119.149 120.500 -0.328 0.000 2.175 191 R HA 0.306 4.647 4.340 0.001 0.000 0.202 191 R C 0.026 175.896 176.300 -0.716 0.000 1.018 191 R CA 0.278 55.924 56.100 -0.757 0.000 1.029 191 R CB 0.243 29.658 30.300 -1.474 0.000 0.959 191 R HN 0.350 nan 8.270 nan 0.000 0.480 192 Y N 0.742 120.912 120.300 -0.216 0.000 2.335 192 Y HA 0.340 4.891 4.550 0.001 0.000 0.338 192 Y C -0.572 175.269 175.900 -0.098 0.000 0.977 192 Y CA -1.214 56.799 58.100 -0.146 0.000 1.114 192 Y CB 1.720 40.096 38.460 -0.140 0.000 1.182 192 Y HN -0.049 nan 8.280 nan 0.000 0.463 193 L N 5.040 126.316 121.223 0.089 0.000 2.282 193 L HA 0.610 4.950 4.340 0.001 0.000 0.288 193 L C -1.422 175.460 176.870 0.020 0.000 1.033 193 L CA -0.386 54.471 54.840 0.029 0.000 0.807 193 L CB 0.544 42.615 42.059 0.021 0.000 1.209 193 L HN 0.575 nan 8.230 nan 0.000 0.423 194 L N 6.220 127.427 121.223 -0.026 0.000 2.322 194 L HA 0.769 5.109 4.340 0.001 0.000 0.281 194 L C -0.692 176.131 176.870 -0.078 0.000 1.014 194 L CA -0.918 53.893 54.840 -0.048 0.000 0.815 194 L CB 1.930 43.948 42.059 -0.069 0.000 1.247 194 L HN 0.546 nan 8.230 nan 0.000 0.421 195 V N 1.645 121.525 119.914 -0.057 0.000 2.789 195 V HA 0.678 4.798 4.120 0.001 0.000 0.311 195 V C -0.914 175.151 176.094 -0.050 0.000 1.073 195 V CA -0.674 61.588 62.300 -0.064 0.000 0.921 195 V CB 2.226 34.031 31.823 -0.031 0.000 1.009 195 V HN 0.701 nan 8.190 nan 0.000 0.426 196 I N 2.896 123.433 120.570 -0.054 0.000 2.499 196 I HA 0.820 4.990 4.170 0.001 0.000 0.288 196 I C 0.576 176.680 176.117 -0.022 0.000 1.048 196 I CA -0.322 60.952 61.300 -0.043 0.000 1.062 196 I CB 1.643 39.603 38.000 -0.067 0.000 1.238 196 I HN 1.038 nan 8.210 nan 0.000 0.426 197 G N 5.235 114.028 108.800 -0.012 0.000 2.537 197 G HA2 0.227 4.187 3.960 0.001 0.000 0.273 197 G HA3 0.227 4.187 3.960 0.001 0.000 0.273 197 G C 0.664 175.564 174.900 -0.000 0.000 1.189 197 G CA -0.689 44.414 45.100 0.005 0.000 0.881 197 G HN 0.867 nan 8.290 nan 0.000 0.535 198 R N -0.823 119.695 120.500 0.029 0.000 2.316 198 R HA -0.021 4.319 4.340 0.001 0.000 0.202 198 R C 0.548 176.853 176.300 0.008 0.000 1.029 198 R CA 1.430 57.535 56.100 0.008 0.000 1.018 198 R CB -0.049 30.299 30.300 0.079 0.000 0.888 198 R HN 0.455 nan 8.270 nan 0.000 0.471 199 D N 0.272 120.693 120.400 0.036 0.000 2.319 199 D HA 0.146 4.786 4.640 0.001 0.000 0.230 199 D C 0.759 177.011 176.300 -0.080 0.000 1.094 199 D CA 0.347 54.349 54.000 0.003 0.000 0.856 199 D CB 0.624 41.451 40.800 0.044 0.000 0.915 199 D HN 0.289 nan 8.370 nan 0.000 0.517 200 A N -0.061 122.709 122.820 -0.083 0.000 3.021 200 A HA -0.299 4.021 4.320 0.001 0.000 0.257 200 A C 0.744 178.272 177.584 -0.093 0.000 1.277 200 A CA 0.861 52.828 52.037 -0.117 0.000 1.012 200 A CB -2.410 16.475 19.000 -0.192 0.000 1.147 200 A HN 0.478 nan 8.150 nan 0.000 0.861 201 R N 0.312 120.782 120.500 -0.051 0.000 2.234 201 R HA 0.614 4.955 4.340 0.001 0.000 0.324 201 R C -0.331 175.968 176.300 -0.001 0.000 1.054 201 R CA -0.395 55.697 56.100 -0.012 0.000 0.912 201 R CB 0.165 30.473 30.300 0.014 0.000 1.030 201 R HN 0.513 nan 8.270 nan 0.000 0.455 202 I N 3.615 124.191 120.570 0.010 0.000 2.437 202 I HA 0.265 4.435 4.170 0.001 0.000 0.298 202 I C -0.256 175.875 176.117 0.024 0.000 0.984 202 I CA -0.587 60.715 61.300 0.004 0.000 1.214 202 I CB 1.837 39.832 38.000 -0.007 0.000 1.365 202 I HN 0.497 nan 8.210 nan 0.000 0.469 203 D N 6.635 127.043 120.400 0.014 0.000 2.649 203 D HA 0.363 5.004 4.640 0.001 0.000 0.249 203 D C -0.933 175.377 176.300 0.016 0.000 1.112 203 D CA -0.406 53.609 54.000 0.026 0.000 0.850 203 D CB 2.882 43.699 40.800 0.029 0.000 1.399 203 D HN 0.385 nan 8.370 nan 0.000 0.503 204 M N 3.238 122.850 119.600 0.020 0.000 2.180 204 M HA 0.441 4.921 4.480 0.001 0.000 0.350 204 M C -1.335 175.001 176.300 0.061 0.000 1.125 204 M CA -0.415 54.893 55.300 0.013 0.000 1.031 204 M CB 0.819 33.393 32.600 -0.043 0.000 1.623 204 M HN 0.294 nan 8.290 nan 0.000 0.451 205 I N 3.733 124.365 120.570 0.103 0.000 2.433 205 I HA 0.261 4.431 4.170 0.001 0.000 0.292 205 I C -0.682 175.552 176.117 0.194 0.000 1.001 205 I CA -0.750 60.624 61.300 0.123 0.000 1.119 205 I CB 1.788 39.834 38.000 0.076 0.000 1.289 205 I HN 0.546 nan 8.210 nan 0.000 0.438 206 D N 6.696 127.200 120.400 0.173 0.000 2.411 206 D HA 0.225 4.866 4.640 0.001 0.000 0.225 206 D C 0.812 177.117 176.300 0.009 0.000 1.156 206 D CA -0.072 53.964 54.000 0.061 0.000 0.874 206 D CB 1.059 41.942 40.800 0.139 0.000 1.034 206 D HN 0.458 nan 8.370 nan 0.000 0.502 207 L N 2.664 123.848 121.223 -0.065 0.000 2.549 207 L HA -0.041 4.300 4.340 0.001 0.000 0.229 207 L C 1.185 178.196 176.870 0.236 0.000 1.158 207 L CA 0.290 55.167 54.840 0.062 0.000 0.842 207 L CB -0.016 42.073 42.059 0.050 0.000 0.952 207 L HN 0.495 nan 8.230 nan 0.000 0.452 208 W N 0.226 121.467 121.300 -0.099 0.000 2.942 208 W HA 0.254 4.914 4.660 0.001 0.000 0.263 208 W C 1.502 178.001 176.519 -0.033 0.000 1.296 208 W CA -0.761 56.540 57.345 -0.073 0.000 1.504 208 W CB -0.584 28.814 29.460 -0.105 0.000 1.096 208 W HN -0.061 nan 8.180 nan 0.000 0.639 209 A N 0.948 123.883 122.820 0.193 0.000 2.475 209 A HA -0.006 4.314 4.320 0.001 0.000 0.239 209 A C 1.641 179.276 177.584 0.085 0.000 1.087 209 A CA 0.271 52.381 52.037 0.121 0.000 0.779 209 A CB 0.373 19.432 19.000 0.099 0.000 1.036 209 A HN 0.255 nan 8.150 nan 0.000 0.506 210 K N -0.223 120.212 120.400 0.059 0.000 2.059 210 K HA -0.173 4.147 4.320 0.001 0.000 0.212 210 K C 0.614 177.240 176.600 0.043 0.000 1.050 210 K CA 1.960 58.270 56.287 0.039 0.000 0.927 210 K CB 0.037 32.555 32.500 0.031 0.000 0.714 210 K HN 0.777 nan 8.250 nan 0.000 0.447 211 E N 0.702 120.932 120.200 0.050 0.000 2.218 211 E HA 0.200 4.550 4.350 0.001 0.000 0.263 211 E C -2.702 173.935 176.600 0.062 0.000 0.879 211 E CA -2.851 53.580 56.400 0.051 0.000 0.762 211 E CB 1.739 31.465 29.700 0.044 0.000 1.166 211 E HN -0.160 nan 8.360 nan 0.000 0.415 212 P HA -0.024 nan 4.420 nan 0.000 0.262 212 P C -0.735 176.604 177.300 0.066 0.000 1.199 212 P CA 0.245 63.388 63.100 0.072 0.000 0.763 212 P CB 0.467 32.209 31.700 0.070 0.000 0.790 213 T N 0.169 114.765 114.554 0.071 0.000 2.906 213 T HA 0.469 4.820 4.350 0.001 0.000 0.295 213 T C -0.312 174.432 174.700 0.074 0.000 1.075 213 T CA -1.211 60.928 62.100 0.065 0.000 1.005 213 T CB 1.493 70.397 68.868 0.060 0.000 1.136 213 T HN 0.092 nan 8.240 nan 0.000 0.498 214 K N 1.133 121.570 120.400 0.061 0.000 2.350 214 K HA 0.384 4.705 4.320 0.001 0.000 0.279 214 K C 1.053 177.687 176.600 0.057 0.000 1.027 214 K CA -0.271 56.052 56.287 0.059 0.000 0.969 214 K CB 1.135 33.663 32.500 0.046 0.000 0.954 214 K HN 0.565 nan 8.250 nan 0.000 0.474 215 V N -1.269 118.681 119.914 0.060 0.000 3.612 215 V HA 0.452 4.572 4.120 0.001 0.000 0.268 215 V C 0.172 176.277 176.094 0.019 0.000 1.365 215 V CA 0.074 62.401 62.300 0.046 0.000 1.044 215 V CB 0.307 32.172 31.823 0.071 0.000 0.820 215 V HN 0.666 nan 8.190 nan 0.000 0.444 216 A N 0.902 123.737 122.820 0.026 0.000 2.605 216 A HA 0.789 5.109 4.320 0.001 0.000 0.294 216 A C -1.005 176.621 177.584 0.070 0.000 1.062 216 A CA -0.068 51.998 52.037 0.047 0.000 0.682 216 A CB 1.580 20.629 19.000 0.083 0.000 1.278 216 A HN 0.678 nan 8.150 nan 0.000 0.410 217 E N 0.716 120.982 120.200 0.109 0.000 2.413 217 E HA 0.868 5.218 4.350 0.001 0.000 0.277 217 E C -1.352 175.377 176.600 0.214 0.000 0.958 217 E CA -0.750 55.723 56.400 0.121 0.000 0.779 217 E CB 2.146 31.894 29.700 0.079 0.000 1.278 217 E HN 1.102 nan 8.360 nan 0.000 0.456 218 I N -0.090 120.588 120.570 0.180 0.000 2.897 218 I HA 0.350 4.520 4.170 0.001 0.000 0.299 218 I C -2.162 174.048 176.117 0.155 0.000 1.527 218 I CA -0.724 60.710 61.300 0.224 0.000 0.979 218 I CB 2.222 40.359 38.000 0.229 0.000 1.360 218 I HN 0.675 nan 8.210 nan 0.000 0.495 219 K N 5.007 125.534 120.400 0.210 0.000 2.413 219 K HA 0.482 4.803 4.320 0.001 0.000 0.257 219 K C -0.017 176.690 176.600 0.178 0.000 0.946 219 K CA -0.549 55.802 56.287 0.107 0.000 0.823 219 K CB 1.336 33.884 32.500 0.081 0.000 1.109 219 K HN 0.573 nan 8.250 nan 0.000 0.427 220 I N 0.170 120.735 120.570 -0.010 0.000 3.956 220 I HA 0.434 4.604 4.170 0.001 0.000 0.333 220 I C 0.444 176.494 176.117 -0.111 0.000 1.302 220 I CA -0.146 61.186 61.300 0.054 0.000 1.122 220 I CB 0.951 38.969 38.000 0.030 0.000 1.013 220 I HN 0.631 nan 8.210 nan 0.000 0.405 221 G N 0.318 108.755 108.800 -0.605 0.000 2.364 221 G HA2 0.292 4.252 3.960 0.001 0.000 0.286 221 G HA3 0.292 4.252 3.960 0.001 0.000 0.286 221 G C -0.266 174.204 174.900 -0.716 0.000 1.241 221 G CA -0.198 44.545 45.100 -0.595 0.000 0.887 221 G HN -0.109 nan 8.290 nan 0.000 0.484 222 I N -0.049 120.372 120.570 -0.248 0.000 3.172 222 I HA 0.310 4.481 4.170 0.001 0.000 0.278 222 I C 0.813 176.910 176.117 -0.034 0.000 1.174 222 I CA 1.016 62.243 61.300 -0.121 0.000 1.445 222 I CB 0.049 38.156 38.000 0.177 0.000 1.175 222 I HN 0.603 nan 8.210 nan 0.000 0.447 223 E N 0.604 120.837 120.200 0.054 0.000 2.308 223 E HA 0.677 5.027 4.350 0.001 0.000 0.275 223 E C -1.506 175.090 176.600 -0.007 0.000 0.890 223 E CA -0.472 55.961 56.400 0.055 0.000 0.754 223 E CB 2.842 32.653 29.700 0.184 0.000 1.207 223 E HN 0.143 nan 8.360 nan 0.000 0.426 224 A N 3.180 125.910 122.820 -0.151 0.000 2.588 224 A HA 0.686 5.006 4.320 0.001 0.000 0.290 224 A C -0.478 176.862 177.584 -0.408 0.000 1.136 224 A CA -0.599 51.296 52.037 -0.237 0.000 0.681 224 A CB 1.677 20.599 19.000 -0.129 0.000 1.282 224 A HN 0.593 nan 8.150 nan 0.000 0.421 225 R N -0.569 119.688 120.500 -0.404 0.000 2.635 225 R HA 0.297 4.637 4.340 0.001 0.000 0.241 225 R C 0.163 176.334 176.300 -0.215 0.000 0.941 225 R CA 0.653 56.493 56.100 -0.432 0.000 1.014 225 R CB 0.702 30.625 30.300 -0.628 0.000 1.517 225 R HN 0.620 nan 8.270 nan 0.000 0.594 226 S N 0.308 115.911 115.700 -0.161 0.000 2.542 226 S HA 0.676 5.146 4.470 0.001 0.000 0.293 226 S C -1.415 173.099 174.600 -0.142 0.000 1.089 226 S CA -0.514 57.606 58.200 -0.134 0.000 0.961 226 S CB 1.911 65.036 63.200 -0.125 0.000 1.062 226 S HN -0.056 nan 8.310 nan 0.000 0.483 227 V N 2.661 122.479 119.914 -0.159 0.000 2.971 227 V HA 0.910 5.031 4.120 0.001 0.000 0.309 227 V C -1.494 174.481 176.094 -0.200 0.000 1.130 227 V CA -0.344 61.849 62.300 -0.179 0.000 0.964 227 V CB 2.216 33.953 31.823 -0.144 0.000 1.029 227 V HN 1.010 nan 8.190 nan 0.000 0.427 228 E N 2.897 122.952 120.200 -0.242 0.000 2.407 228 E HA 0.705 5.055 4.350 0.001 0.000 0.279 228 E C -1.740 174.770 176.600 -0.149 0.000 1.012 228 E CA -0.257 56.025 56.400 -0.196 0.000 0.800 228 E CB 2.404 31.973 29.700 -0.218 0.000 1.276 228 E HN 0.772 nan 8.360 nan 0.000 0.452 229 S N 0.708 116.432 115.700 0.039 0.000 2.566 229 S HA 0.601 5.071 4.470 0.001 0.000 0.298 229 S C -1.038 173.729 174.600 0.279 0.000 1.083 229 S CA -0.269 58.011 58.200 0.134 0.000 0.978 229 S CB 0.774 63.990 63.200 0.028 0.000 1.073 229 S HN 0.683 nan 8.310 nan 0.000 0.491 230 S N 2.951 118.745 115.700 0.157 0.000 2.481 230 S HA 0.276 4.746 4.470 0.001 0.000 0.282 230 S C 0.166 174.759 174.600 -0.012 0.000 1.243 230 S CA -0.254 57.851 58.200 -0.158 0.000 1.078 230 S CB 0.229 63.124 63.200 -0.508 0.000 0.916 230 S HN 0.732 nan 8.310 nan 0.000 0.495 231 K N 1.608 122.002 120.400 -0.010 0.000 2.414 231 K HA 0.211 4.531 4.320 0.001 0.000 0.204 231 K C -0.428 176.185 176.600 0.021 0.000 1.026 231 K CA -0.299 55.970 56.287 -0.030 0.000 1.108 231 K CB 0.255 32.658 32.500 -0.162 0.000 0.855 231 K HN 0.660 nan 8.250 nan 0.000 0.517 232 F N 2.920 122.867 119.950 -0.006 0.000 2.399 232 F HA 0.138 4.666 4.527 0.000 0.000 0.342 232 F C 0.404 176.318 175.800 0.189 0.000 1.106 232 F CA -0.865 57.161 58.000 0.044 0.000 1.196 232 F CB 0.629 39.610 39.000 -0.032 0.000 1.163 232 F HN -0.264 nan 8.300 nan 0.000 0.547 233 K N 4.019 124.006 120.400 -0.689 0.000 2.504 233 K HA 0.166 4.487 4.320 0.001 0.000 0.278 233 K C 0.930 177.442 176.600 -0.145 0.000 1.025 233 K CA 1.005 57.042 56.287 -0.417 0.000 1.093 233 K CB -0.479 31.692 32.500 -0.549 0.000 0.873 233 K HN 1.025 nan 8.250 nan 0.000 0.483 234 G N 2.804 111.570 108.800 -0.057 0.000 2.175 234 G HA2 -0.283 3.678 3.960 0.001 0.000 0.244 234 G HA3 -0.283 3.678 3.960 0.001 0.000 0.244 234 G C 0.064 174.831 174.900 -0.222 0.000 0.982 234 G CA -0.116 44.908 45.100 -0.127 0.000 0.641 234 G HN 0.580 nan 8.290 nan 0.000 0.527 235 Y N 1.436 121.773 120.300 0.062 0.000 2.716 235 Y HA 0.387 4.937 4.550 -0.000 0.000 0.260 235 Y C 0.882 176.765 175.900 -0.029 0.000 1.141 235 Y CA -0.758 57.379 58.100 0.062 0.000 1.168 235 Y CB 0.426 39.022 38.460 0.228 0.000 1.189 235 Y HN 0.305 nan 8.280 nan 0.000 0.549 236 E N 1.635 121.872 120.200 0.061 0.000 2.493 236 E HA -0.081 4.270 4.350 0.001 0.000 0.255 236 E C -0.205 176.382 176.600 -0.022 0.000 0.999 236 E CA 0.581 56.990 56.400 0.015 0.000 0.934 236 E CB 0.181 29.881 29.700 -0.001 0.000 0.940 236 E HN 0.346 nan 8.360 nan 0.000 0.473 237 D N 2.029 122.411 120.400 -0.031 0.000 3.059 237 D HA -0.216 4.425 4.640 0.001 0.000 0.220 237 D C 0.923 177.128 176.300 -0.158 0.000 1.169 237 D CA 0.608 54.566 54.000 -0.069 0.000 0.902 237 D CB -0.352 40.429 40.800 -0.032 0.000 1.116 237 D HN 0.454 nan 8.370 nan 0.000 0.417 238 R N -0.831 119.550 120.500 -0.200 0.000 2.055 238 R HA 0.026 4.366 4.340 0.001 0.000 0.226 238 R C 0.602 176.435 176.300 -0.778 0.000 1.135 238 R CA 1.319 57.133 56.100 -0.477 0.000 0.959 238 R CB 0.039 30.120 30.300 -0.364 0.000 0.854 238 R HN 0.300 nan 8.270 nan 0.000 0.431 239 Y N -1.328 118.907 120.300 -0.108 0.000 2.524 239 Y HA 0.353 4.903 4.550 -0.000 0.000 0.347 239 Y C -0.267 175.622 175.900 -0.018 0.000 1.005 239 Y CA -0.827 57.223 58.100 -0.083 0.000 1.025 239 Y CB 2.142 40.528 38.460 -0.124 0.000 1.275 239 Y HN -0.271 nan 8.280 nan 0.000 0.460 240 T N 4.002 118.619 114.554 0.105 0.000 2.841 240 T HA 0.651 5.002 4.350 0.001 0.000 0.283 240 T C -1.175 173.404 174.700 -0.201 0.000 1.000 240 T CA -0.522 61.541 62.100 -0.061 0.000 0.977 240 T CB 1.155 69.976 68.868 -0.078 0.000 0.979 240 T HN 0.577 nan 8.240 nan 0.000 0.446 241 I N 1.941 122.230 120.570 -0.468 0.000 2.785 241 I HA 0.842 5.012 4.170 0.001 0.000 0.302 241 I C -1.401 174.500 176.117 -0.361 0.000 1.069 241 I CA -0.933 60.058 61.300 -0.514 0.000 1.045 241 I CB 1.590 38.954 38.000 -1.060 0.000 1.236 241 I HN 0.767 nan 8.210 nan 0.000 0.429 242 A N 4.082 126.776 122.820 -0.211 0.000 2.520 242 A HA 0.775 5.096 4.320 0.001 0.000 0.298 242 A C -0.836 176.722 177.584 -0.043 0.000 1.051 242 A CA -0.374 51.581 52.037 -0.137 0.000 0.690 242 A CB 1.533 20.477 19.000 -0.094 0.000 1.281 242 A HN 0.851 nan 8.150 nan 0.000 0.402 243 G N 0.182 108.956 108.800 -0.044 0.000 2.379 243 G HA2 0.735 4.696 3.960 0.001 0.000 0.327 243 G HA3 0.735 4.696 3.960 0.001 0.000 0.327 243 G C -0.218 174.702 174.900 0.033 0.000 1.145 243 G CA 0.214 45.337 45.100 0.039 0.000 0.905 243 G HN 1.592 nan 8.290 nan 0.000 0.466 244 A N 1.471 124.337 122.820 0.078 0.000 2.340 244 A HA 0.673 4.993 4.320 0.001 0.000 0.331 244 A C 0.035 177.766 177.584 0.244 0.000 1.140 244 A CA -0.654 51.432 52.037 0.083 0.000 0.801 244 A CB 1.150 20.162 19.000 0.020 0.000 1.234 244 A HN 0.656 nan 8.150 nan 0.000 0.469 245 Y N -0.003 120.332 120.300 0.059 0.000 2.269 245 Y HA 0.107 4.657 4.550 0.000 0.000 0.294 245 Y C 0.626 176.660 175.900 0.224 0.000 1.120 245 Y CA 0.397 58.575 58.100 0.129 0.000 1.159 245 Y CB 0.261 38.809 38.460 0.148 0.000 1.024 245 Y HN 0.675 nan 8.280 nan 0.000 0.532 246 W N 1.735 123.159 121.300 0.206 0.000 2.968 246 W HA 0.316 4.976 4.660 0.001 0.000 0.337 246 W C -3.177 173.394 176.519 0.086 0.000 1.060 246 W CA -2.249 55.179 57.345 0.139 0.000 1.240 246 W CB 2.097 31.649 29.460 0.153 0.000 1.370 246 W HN -0.142 nan 8.180 nan 0.000 0.459 247 P HA 0.194 nan 4.420 nan 0.000 0.274 247 P C -2.525 174.482 177.300 -0.489 0.000 1.246 247 P CA -1.100 61.305 63.100 -1.159 0.000 0.795 247 P CB 0.373 31.589 31.700 -0.806 0.000 1.006 248 P HA 0.036 nan 4.420 nan 0.000 0.264 248 P C -0.708 176.493 177.300 -0.164 0.000 1.537 248 P CA 0.611 63.608 63.100 -0.172 0.000 1.189 248 P CB -0.491 31.131 31.700 -0.130 0.000 1.687 249 Q N 2.363 122.088 119.800 -0.125 0.000 2.738 249 Q HA 0.696 5.036 4.340 0.001 0.000 0.301 249 Q C -1.477 174.501 176.000 -0.037 0.000 0.901 249 Q CA -1.046 54.655 55.803 -0.170 0.000 0.756 249 Q CB 1.426 30.036 28.738 -0.214 0.000 1.463 249 Q HN 0.156 nan 8.270 nan 0.000 0.432 250 F N -1.199 118.714 119.950 -0.061 0.000 2.591 250 F HA 0.948 5.474 4.527 -0.000 0.000 0.309 250 F C -1.749 174.004 175.800 -0.078 0.000 1.098 250 F CA -0.893 57.061 58.000 -0.076 0.000 0.937 250 F CB 1.642 40.588 39.000 -0.090 0.000 1.250 250 F HN 0.859 nan 8.300 nan 0.000 0.447 251 A N 3.886 126.837 122.820 0.218 0.000 2.374 251 A HA 0.877 5.197 4.320 0.001 0.000 0.317 251 A C -1.270 176.366 177.584 0.087 0.000 1.094 251 A CA -0.915 51.187 52.037 0.108 0.000 0.765 251 A CB 1.229 20.241 19.000 0.021 0.000 1.268 251 A HN 0.816 nan 8.150 nan 0.000 0.438 252 I N 1.679 122.280 120.570 0.052 0.000 2.378 252 I HA 0.452 4.623 4.170 0.001 0.000 0.291 252 I C -0.402 175.699 176.117 -0.025 0.000 0.992 252 I CA -0.086 61.211 61.300 -0.005 0.000 1.154 252 I CB 1.761 39.766 38.000 0.008 0.000 1.315 252 I HN 0.668 nan 8.210 nan 0.000 0.448 253 M N 3.939 123.530 119.600 -0.015 0.000 2.761 253 M HA 0.349 4.829 4.480 0.001 0.000 0.305 253 M C -0.348 175.994 176.300 0.070 0.000 1.235 253 M CA -0.729 54.548 55.300 -0.038 0.000 0.850 253 M CB 1.627 34.164 32.600 -0.105 0.000 1.744 253 M HN 0.420 nan 8.290 nan 0.000 0.480 254 D N 0.732 121.131 120.400 -0.001 0.000 2.417 254 D HA 0.044 4.684 4.640 0.001 0.000 0.250 254 D C 0.835 177.097 176.300 -0.064 0.000 1.166 254 D CA 0.331 54.332 54.000 0.002 0.000 0.881 254 D CB 1.402 42.175 40.800 -0.045 0.000 1.164 254 D HN 0.836 nan 8.370 nan 0.000 0.467 255 G N 3.637 112.364 108.800 -0.122 0.000 2.535 255 G HA2 -0.193 3.767 3.960 0.001 0.000 0.218 255 G HA3 -0.193 3.767 3.960 0.001 0.000 0.218 255 G C 1.187 175.960 174.900 -0.213 0.000 1.122 255 G CA 0.343 45.351 45.100 -0.153 0.000 0.769 255 G HN 0.527 nan 8.290 nan 0.000 0.549 256 E N -0.606 119.481 120.200 -0.188 0.000 2.372 256 E HA -0.002 4.348 4.350 0.001 0.000 0.201 256 E C 2.369 178.874 176.600 -0.157 0.000 0.938 256 E CA 1.311 57.576 56.400 -0.224 0.000 0.944 256 E CB 0.468 30.087 29.700 -0.135 0.000 0.937 256 E HN 0.544 nan 8.360 nan 0.000 0.495 257 T N -2.660 111.872 114.554 -0.037 0.000 3.016 257 T HA 0.252 4.603 4.350 0.001 0.000 0.271 257 T C 1.095 175.942 174.700 0.246 0.000 0.968 257 T CA -0.238 61.938 62.100 0.127 0.000 0.891 257 T CB 0.524 69.548 68.868 0.260 0.000 1.149 257 T HN 0.090 nan 8.240 nan 0.000 0.524 258 L N 0.465 121.715 121.223 0.045 0.000 4.560 258 L HA -0.146 4.194 4.340 0.001 0.000 0.415 258 L C 0.274 176.934 176.870 -0.350 0.000 1.123 258 L CA 0.487 55.310 54.840 -0.028 0.000 0.991 258 L CB -1.553 40.578 42.059 0.121 0.000 2.127 258 L HN 0.597 nan 8.230 nan 0.000 0.765 259 E N 3.003 122.894 120.200 -0.514 0.000 2.415 259 E HA 0.118 4.468 4.350 0.001 0.000 0.260 259 E C -1.991 174.201 176.600 -0.681 0.000 1.016 259 E CA -1.473 54.201 56.400 -1.209 0.000 0.924 259 E CB 0.740 29.951 29.700 -0.816 0.000 0.961 259 E HN 0.031 nan 8.360 nan 0.000 0.459 260 P HA -0.030 nan 4.420 nan 0.000 0.267 260 P C -0.425 176.736 177.300 -0.231 0.000 1.209 260 P CA 0.058 62.967 63.100 -0.318 0.000 0.763 260 P CB 0.928 32.481 31.700 -0.245 0.000 0.816 261 K N 1.514 121.832 120.400 -0.137 0.000 2.312 261 K HA 0.182 4.502 4.320 0.001 0.000 0.206 261 K C 0.577 177.134 176.600 -0.070 0.000 1.121 261 K CA 0.953 57.188 56.287 -0.087 0.000 0.923 261 K CB 0.266 32.741 32.500 -0.042 0.000 1.162 261 K HN 0.468 nan 8.250 nan 0.000 0.478 262 Q N 0.220 119.984 119.800 -0.060 0.000 2.359 262 Q HA 0.503 4.843 4.340 0.001 0.000 0.274 262 Q C -0.862 175.097 176.000 -0.068 0.000 1.074 262 Q CA -0.372 55.397 55.803 -0.057 0.000 0.810 262 Q CB 2.834 31.553 28.738 -0.032 0.000 1.342 262 Q HN 0.104 nan 8.270 nan 0.000 0.427 263 I N 1.361 121.860 120.570 -0.118 0.000 2.447 263 I HA 0.466 4.636 4.170 0.001 0.000 0.287 263 I C -0.642 175.292 176.117 -0.305 0.000 1.023 263 I CA -0.985 60.204 61.300 -0.186 0.000 1.083 263 I CB 2.060 39.983 38.000 -0.129 0.000 1.245 263 I HN 0.128 nan 8.210 nan 0.000 0.434 264 V N 4.354 123.914 119.914 -0.591 0.000 2.487 264 V HA 0.334 4.454 4.120 0.001 0.000 0.298 264 V C 0.208 175.921 176.094 -0.634 0.000 1.028 264 V CA -0.632 61.260 62.300 -0.679 0.000 0.860 264 V CB 1.855 33.075 31.823 -1.005 0.000 0.991 264 V HN 0.802 nan 8.190 nan 0.000 0.427 265 S N 2.779 118.273 115.700 -0.343 0.000 2.548 265 S HA 0.216 4.686 4.470 0.001 0.000 0.277 265 S C 1.145 175.644 174.600 -0.169 0.000 1.315 265 S CA 0.297 58.359 58.200 -0.229 0.000 1.050 265 S CB 1.039 64.156 63.200 -0.138 0.000 0.918 265 S HN 1.043 nan 8.310 nan 0.000 0.497 266 T N 2.064 116.549 114.554 -0.115 0.000 3.054 266 T HA 0.312 4.663 4.350 0.001 0.000 0.255 266 T C 0.504 175.185 174.700 -0.032 0.000 1.035 266 T CA -0.371 61.705 62.100 -0.040 0.000 0.941 266 T CB -0.140 68.732 68.868 0.006 0.000 1.026 266 T HN 0.594 nan 8.240 nan 0.000 0.533 267 R N 1.224 121.710 120.500 -0.024 0.000 2.538 267 R HA 0.520 4.860 4.340 0.001 0.000 0.282 267 R C 0.834 177.173 176.300 0.065 0.000 1.009 267 R CA 0.897 57.004 56.100 0.011 0.000 1.063 267 R CB 0.305 30.672 30.300 0.113 0.000 0.945 267 R HN 0.581 nan 8.270 nan 0.000 0.414 268 G N 1.646 110.422 108.800 -0.039 0.000 2.356 268 G HA2 0.171 4.131 3.960 0.001 0.000 0.281 268 G HA3 0.171 4.131 3.960 0.001 0.000 0.281 268 G C -1.470 173.427 174.900 -0.005 0.000 1.246 268 G CA -0.954 44.192 45.100 0.076 0.000 0.889 268 G HN 0.234 nan 8.290 nan 0.000 0.486 269 M N 2.071 121.705 119.600 0.057 0.000 2.216 269 M HA 0.383 4.864 4.480 0.001 0.000 0.356 269 M C 0.970 177.260 176.300 -0.018 0.000 1.205 269 M CA -0.659 54.663 55.300 0.038 0.000 1.122 269 M CB 0.316 32.951 32.600 0.058 0.000 1.571 269 M HN 0.780 nan 8.290 nan 0.000 0.464 270 T N -1.075 113.464 114.554 -0.026 0.000 2.898 270 T HA 0.281 4.631 4.350 0.001 0.000 0.301 270 T C 1.146 175.818 174.700 -0.048 0.000 1.049 270 T CA -0.801 61.262 62.100 -0.062 0.000 1.095 270 T CB 1.366 70.201 68.868 -0.056 0.000 0.976 270 T HN 0.491 nan 8.240 nan 0.000 0.539 271 V N 1.636 121.509 119.914 -0.067 0.000 2.453 271 V HA -0.096 4.024 4.120 0.001 0.000 0.247 271 V C 2.201 178.275 176.094 -0.034 0.000 1.048 271 V CA 2.460 64.732 62.300 -0.048 0.000 1.049 271 V CB -0.797 30.992 31.823 -0.056 0.000 0.672 271 V HN 1.068 nan 8.190 nan 0.000 0.457 272 D N -0.005 120.371 120.400 -0.040 0.000 2.113 272 D HA -0.157 4.483 4.640 0.001 0.000 0.206 272 D C 1.972 178.268 176.300 -0.007 0.000 0.979 272 D CA 2.325 56.313 54.000 -0.020 0.000 0.862 272 D CB -1.280 39.510 40.800 -0.016 0.000 1.013 272 D HN 0.544 nan 8.370 nan 0.000 0.455 273 T N -3.315 111.237 114.554 -0.003 0.000 3.081 273 T HA 0.029 4.379 4.350 0.001 0.000 0.255 273 T C 0.715 175.422 174.700 0.012 0.000 1.113 273 T CA 0.132 62.237 62.100 0.009 0.000 1.082 273 T CB -0.487 68.392 68.868 0.018 0.000 0.939 273 T HN 0.313 nan 8.240 nan 0.000 0.506 274 Q N 1.879 121.684 119.800 0.007 0.000 2.452 274 Q HA -0.148 4.193 4.340 0.001 0.000 0.318 274 Q C -0.447 175.574 176.000 0.035 0.000 1.386 274 Q CA 0.797 56.610 55.803 0.016 0.000 0.872 274 Q CB -2.318 26.428 28.738 0.013 0.000 1.151 274 Q HN 0.889 nan 8.270 nan 0.000 0.417 275 T N -3.644 110.936 114.554 0.043 0.000 2.930 275 T HA 0.529 4.879 4.350 0.001 0.000 0.290 275 T C -0.669 174.092 174.700 0.101 0.000 1.052 275 T CA -0.928 61.215 62.100 0.072 0.000 1.017 275 T CB 1.466 70.367 68.868 0.056 0.000 1.137 275 T HN 0.248 nan 8.240 nan 0.000 0.511 276 Y N 1.945 122.258 120.300 0.021 0.000 2.377 276 Y HA 0.343 4.893 4.550 0.000 0.000 0.330 276 Y C 0.216 176.143 175.900 0.046 0.000 1.108 276 Y CA -0.137 57.982 58.100 0.032 0.000 1.308 276 Y CB 0.290 38.758 38.460 0.013 0.000 1.216 276 Y HN 0.782 nan 8.280 nan 0.000 0.518 277 H N 8.693 127.256 119.070 -0.845 0.000 2.589 277 H HA 0.280 4.837 4.556 0.000 0.000 0.335 277 H C -2.208 172.577 175.328 -0.905 0.000 1.019 277 H CA -2.418 53.262 56.048 -0.613 0.000 1.213 277 H CB 2.444 32.009 29.762 -0.329 0.000 1.472 277 H HN 0.511 nan 8.280 nan 0.000 0.508 278 P HA 0.028 nan 4.420 nan 0.000 0.249 278 P C 0.072 177.456 177.300 0.140 0.000 1.229 278 P CA 0.568 63.608 63.100 -0.101 0.000 0.788 278 P CB 0.696 32.470 31.700 0.123 0.000 1.072 279 E N 0.664 121.047 120.200 0.305 0.000 3.544 279 E HA 0.280 4.631 4.350 0.001 0.000 0.264 279 E C -2.735 173.947 176.600 0.136 0.000 1.225 279 E CA -1.874 54.705 56.400 0.299 0.000 1.045 279 E CB 0.951 30.886 29.700 0.391 0.000 1.338 279 E HN 0.028 nan 8.360 nan 0.000 0.395 280 P HA 0.219 nan 4.420 nan 0.000 0.274 280 P C -0.992 176.250 177.300 -0.097 0.000 1.504 280 P CA -0.377 62.619 63.100 -0.173 0.000 1.011 280 P CB 0.182 31.778 31.700 -0.173 0.000 1.366 281 R N 1.772 122.194 120.500 -0.131 0.000 2.489 281 R HA 0.212 4.552 4.340 0.001 0.000 0.287 281 R C 0.010 176.286 176.300 -0.039 0.000 1.053 281 R CA -0.421 55.594 56.100 -0.142 0.000 1.036 281 R CB 0.203 30.174 30.300 -0.548 0.000 0.966 281 R HN 0.205 nan 8.270 nan 0.000 0.432 282 V N 3.505 123.483 119.914 0.107 0.000 2.508 282 V HA 0.219 4.340 4.120 0.001 0.000 0.281 282 V C 0.782 177.000 176.094 0.207 0.000 1.041 282 V CA 0.325 62.704 62.300 0.130 0.000 1.016 282 V CB 0.795 32.702 31.823 0.141 0.000 0.984 282 V HN 1.013 nan 8.190 nan 0.000 0.478 283 A N 4.967 127.860 122.820 0.123 0.000 3.658 283 A HA 0.899 5.219 4.320 0.001 0.000 0.188 283 A C 0.892 178.477 177.584 0.001 0.000 1.601 283 A CA 0.191 52.293 52.037 0.109 0.000 1.765 283 A CB -0.443 18.610 19.000 0.089 0.000 1.546 283 A HN 1.084 nan 8.150 nan 0.000 0.555 284 A N -0.474 122.330 122.820 -0.027 0.000 2.483 284 A HA 0.518 4.838 4.320 0.001 0.000 0.238 284 A C -0.304 177.237 177.584 -0.073 0.000 1.070 284 A CA 0.407 52.424 52.037 -0.033 0.000 0.770 284 A CB -0.519 18.510 19.000 0.048 0.000 1.008 284 A HN 0.515 nan 8.150 nan 0.000 0.497 285 I N 1.848 122.327 120.570 -0.151 0.000 2.533 285 I HA 0.505 4.676 4.170 0.001 0.000 0.290 285 I C -0.641 175.298 176.117 -0.295 0.000 1.056 285 I CA -0.257 60.898 61.300 -0.242 0.000 1.057 285 I CB 1.868 39.712 38.000 -0.260 0.000 1.240 285 I HN 0.657 nan 8.210 nan 0.000 0.423 286 I N 4.275 124.594 120.570 -0.419 0.000 2.686 286 I HA 0.666 4.836 4.170 0.001 0.000 0.295 286 I C -0.510 175.493 176.117 -0.191 0.000 1.114 286 I CA -0.512 60.525 61.300 -0.438 0.000 1.038 286 I CB 1.968 39.385 38.000 -0.973 0.000 1.238 286 I HN 0.691 nan 8.210 nan 0.000 0.420 287 A N 4.992 127.824 122.820 0.020 0.000 2.320 287 A HA 0.506 4.827 4.320 0.001 0.000 0.287 287 A C -0.072 177.603 177.584 0.151 0.000 1.181 287 A CA -0.179 51.930 52.037 0.119 0.000 0.831 287 A CB 0.784 19.851 19.000 0.112 0.000 1.102 287 A HN 0.687 nan 8.150 nan 0.000 0.513 288 S N 0.932 116.691 115.700 0.098 0.000 2.564 288 S HA 0.226 4.697 4.470 0.001 0.000 0.278 288 S C 0.625 175.214 174.600 -0.017 0.000 1.333 288 S CA -0.138 58.167 58.200 0.175 0.000 1.048 288 S CB 0.080 63.321 63.200 0.069 0.000 0.900 288 S HN 0.731 nan 8.310 nan 0.000 0.505 289 H N 1.835 120.936 119.070 0.053 0.000 2.648 289 H HA 0.292 4.849 4.556 0.001 0.000 0.265 289 H C 1.556 176.968 175.328 0.140 0.000 0.961 289 H CA 0.092 56.176 56.048 0.061 0.000 1.185 289 H CB 0.449 30.123 29.762 -0.146 0.000 1.449 289 H HN 0.567 nan 8.280 nan 0.000 0.523 290 E N 0.129 120.369 120.200 0.066 0.000 2.190 290 E HA 0.045 4.396 4.350 0.001 0.000 0.191 290 E C 0.034 176.308 176.600 -0.544 0.000 0.978 290 E CA 0.757 57.051 56.400 -0.177 0.000 0.839 290 E CB 0.533 30.049 29.700 -0.306 0.000 0.787 290 E HN 0.540 nan 8.360 nan 0.000 0.473 291 H N -0.781 118.098 119.070 -0.319 0.000 2.980 291 H HA 0.224 4.781 4.556 0.000 0.000 0.367 291 H C -2.423 172.207 175.328 -1.163 0.000 1.206 291 H CA -2.046 53.491 56.048 -0.851 0.000 1.126 291 H CB 2.001 31.464 29.762 -0.499 0.000 1.838 291 H HN -0.164 nan 8.280 nan 0.000 0.552 292 P HA 0.164 nan 4.420 nan 0.000 0.249 292 P C -0.611 175.683 177.300 -1.677 0.000 1.737 292 P CA 0.348 62.522 63.100 -1.544 0.000 1.128 292 P CB 0.147 30.923 31.700 -1.540 0.000 1.942 293 E N 1.045 120.621 120.200 -1.040 0.000 2.413 293 E HA 0.525 4.875 4.350 0.001 0.000 0.277 293 E C -1.259 175.126 176.600 -0.359 0.000 0.958 293 E CA -0.682 55.322 56.400 -0.660 0.000 0.779 293 E CB 1.379 30.853 29.700 -0.377 0.000 1.278 293 E HN 0.062 nan 8.360 nan 0.000 0.456 294 F N 1.500 121.410 119.950 -0.066 0.000 2.458 294 F HA 0.469 4.996 4.527 0.000 0.000 0.336 294 F C -0.041 175.631 175.800 -0.213 0.000 1.114 294 F CA -0.702 57.232 58.000 -0.110 0.000 0.987 294 F CB 0.990 39.905 39.000 -0.143 0.000 1.130 294 F HN 0.222 nan 8.300 nan 0.000 0.458 295 I N 4.847 125.383 120.570 -0.057 0.000 2.306 295 I HA 0.335 4.505 4.170 0.001 0.000 0.288 295 I C -0.839 175.119 176.117 -0.264 0.000 1.036 295 I CA -0.655 60.519 61.300 -0.210 0.000 1.221 295 I CB 0.837 38.609 38.000 -0.380 0.000 1.385 295 I HN 0.146 nan 8.210 nan 0.000 0.472 296 V N 5.830 125.620 119.914 -0.207 0.000 2.459 296 V HA 0.347 4.467 4.120 0.001 0.000 0.295 296 V C -0.026 176.018 176.094 -0.083 0.000 1.029 296 V CA -0.801 61.378 62.300 -0.201 0.000 0.874 296 V CB 1.777 33.399 31.823 -0.335 0.000 0.985 296 V HN 0.589 nan 8.190 nan 0.000 0.438 297 N N 2.613 121.294 118.700 -0.032 0.000 2.426 297 N HA 0.493 5.234 4.740 0.001 0.000 0.275 297 N C -0.772 174.747 175.510 0.016 0.000 1.019 297 N CA -0.218 52.849 53.050 0.028 0.000 0.941 297 N CB 1.867 40.400 38.487 0.076 0.000 1.123 297 N HN 0.443 nan 8.380 nan 0.000 0.486 298 V N 3.523 123.437 119.914 0.000 0.000 2.293 298 V HA 0.196 4.316 4.120 0.001 0.000 0.275 298 V C 1.462 177.512 176.094 -0.073 0.000 1.021 298 V CA -0.749 61.536 62.300 -0.026 0.000 0.815 298 V CB 1.127 32.933 31.823 -0.028 0.000 1.025 298 V HN 0.673 nan 8.190 nan 0.000 0.448 299 K N 3.546 123.903 120.400 -0.071 0.000 1.980 299 K HA -0.247 4.073 4.320 0.001 0.000 0.231 299 K C 1.760 178.199 176.600 -0.268 0.000 1.018 299 K CA 2.555 58.786 56.287 -0.092 0.000 1.063 299 K CB 0.009 32.464 32.500 -0.076 0.000 0.731 299 K HN 0.704 nan 8.250 nan 0.000 0.456 300 E N -0.436 119.524 120.200 -0.400 0.000 2.147 300 E HA -0.188 4.162 4.350 0.001 0.000 0.199 300 E C 1.844 178.086 176.600 -0.597 0.000 1.005 300 E CA 2.204 58.186 56.400 -0.696 0.000 0.810 300 E CB -0.247 28.884 29.700 -0.949 0.000 0.736 300 E HN 0.682 nan 8.360 nan 0.000 0.460 301 T N -3.441 110.870 114.554 -0.405 0.000 3.081 301 T HA 0.201 4.551 4.350 0.001 0.000 0.255 301 T C 1.476 176.058 174.700 -0.196 0.000 1.113 301 T CA 0.229 62.172 62.100 -0.263 0.000 1.082 301 T CB 0.059 68.820 68.868 -0.179 0.000 0.939 301 T HN 0.265 nan 8.240 nan 0.000 0.506 302 G N 1.318 109.996 108.800 -0.204 0.000 2.338 302 G HA2 -0.224 3.736 3.960 0.001 0.000 0.296 302 G HA3 -0.224 3.736 3.960 0.001 0.000 0.296 302 G C -0.297 174.553 174.900 -0.082 0.000 1.040 302 G CA -0.031 44.988 45.100 -0.135 0.000 1.004 302 G HN 0.620 nan 8.290 nan 0.000 0.509 303 K N -0.866 119.493 120.400 -0.067 0.000 2.270 303 K HA 0.696 5.016 4.320 0.001 0.000 0.255 303 K C -0.109 176.481 176.600 -0.017 0.000 0.936 303 K CA -0.660 55.604 56.287 -0.038 0.000 0.809 303 K CB 2.343 34.824 32.500 -0.032 0.000 1.131 303 K HN 0.122 nan 8.250 nan 0.000 0.427 304 V N 5.264 125.174 119.914 -0.007 0.000 2.334 304 V HA 0.396 4.517 4.120 0.001 0.000 0.281 304 V C -0.643 175.446 176.094 -0.008 0.000 1.016 304 V CA -0.826 61.480 62.300 0.010 0.000 0.832 304 V CB 0.615 32.462 31.823 0.040 0.000 0.999 304 V HN 0.541 nan 8.190 nan 0.000 0.439 305 L N 5.801 127.008 121.223 -0.026 0.000 2.295 305 L HA 0.564 4.905 4.340 0.001 0.000 0.285 305 L C -0.385 176.440 176.870 -0.075 0.000 1.035 305 L CA -0.526 54.291 54.840 -0.038 0.000 0.806 305 L CB 1.390 43.438 42.059 -0.018 0.000 1.214 305 L HN 0.388 nan 8.230 nan 0.000 0.426 306 L N 4.747 125.930 121.223 -0.067 0.000 2.287 306 L HA 0.349 4.689 4.340 0.001 0.000 0.280 306 L C -0.475 176.336 176.870 -0.099 0.000 1.055 306 L CA -0.573 54.213 54.840 -0.090 0.000 0.863 306 L CB 1.313 43.315 42.059 -0.095 0.000 1.245 306 L HN 0.355 nan 8.230 nan 0.000 0.432 307 V N 2.894 122.751 119.914 -0.095 0.000 2.334 307 V HA 0.141 4.261 4.120 0.001 0.000 0.267 307 V C 0.606 176.635 176.094 -0.108 0.000 1.040 307 V CA -0.557 61.705 62.300 -0.063 0.000 0.866 307 V CB 1.023 32.806 31.823 -0.067 0.000 1.019 307 V HN 0.659 nan 8.190 nan 0.000 0.468 308 N N 4.194 122.786 118.700 -0.180 0.000 2.442 308 N HA 0.080 4.821 4.740 0.001 0.000 0.265 308 N C -0.037 175.314 175.510 -0.265 0.000 1.138 308 N CA -0.196 52.649 53.050 -0.341 0.000 0.956 308 N CB 1.030 39.341 38.487 -0.293 0.000 1.067 308 N HN 0.758 nan 8.380 nan 0.000 0.474 309 Y N 2.315 122.438 120.300 -0.294 0.000 2.681 309 Y HA 0.358 4.908 4.550 -0.000 0.000 0.267 309 Y C 1.613 177.383 175.900 -0.217 0.000 1.166 309 Y CA -0.606 57.306 58.100 -0.313 0.000 1.209 309 Y CB -0.127 38.093 38.460 -0.401 0.000 1.161 309 Y HN 0.413 nan 8.280 nan 0.000 0.534 310 K N 0.856 121.111 120.400 -0.242 0.000 2.280 310 K HA -0.146 4.174 4.320 0.001 0.000 0.202 310 K C -0.443 176.217 176.600 0.100 0.000 1.047 310 K CA 1.481 57.762 56.287 -0.010 0.000 0.942 310 K CB 0.138 32.574 32.500 -0.107 0.000 0.739 310 K HN 0.358 nan 8.250 nan 0.000 0.457 311 D N -0.055 120.356 120.400 0.018 0.000 2.337 311 D HA 0.048 4.688 4.640 0.001 0.000 0.238 311 D C 0.461 176.748 176.300 -0.020 0.000 1.331 311 D CA -0.396 53.619 54.000 0.026 0.000 0.967 311 D CB 0.641 41.444 40.800 0.006 0.000 1.382 311 D HN 0.200 nan 8.370 nan 0.000 0.549 312 I N -0.730 119.815 120.570 -0.041 0.000 3.428 312 I HA 0.152 4.322 4.170 0.001 0.000 0.286 312 I C 0.830 176.922 176.117 -0.043 0.000 1.287 312 I CA 0.200 61.444 61.300 -0.092 0.000 1.396 312 I CB 0.283 38.138 38.000 -0.241 0.000 1.062 312 I HN 0.019 nan 8.210 nan 0.000 0.471 313 D N 1.988 122.381 120.400 -0.013 0.000 2.162 313 D HA -0.053 4.588 4.640 0.001 0.000 0.203 313 D C 0.223 176.515 176.300 -0.013 0.000 0.967 313 D CA 1.108 55.103 54.000 -0.007 0.000 0.840 313 D CB -0.055 40.750 40.800 0.008 0.000 0.972 313 D HN 0.574 nan 8.370 nan 0.000 0.482 314 N N 0.823 119.515 118.700 -0.013 0.000 2.776 314 N HA 0.206 4.946 4.740 0.001 0.000 0.245 314 N C -0.993 174.503 175.510 -0.023 0.000 1.121 314 N CA -0.450 52.590 53.050 -0.017 0.000 0.852 314 N CB 1.446 39.925 38.487 -0.014 0.000 1.142 314 N HN -0.071 nan 8.380 nan 0.000 0.514 315 L N 1.747 122.958 121.223 -0.020 0.000 2.462 315 L HA 0.147 4.487 4.340 0.001 0.000 0.272 315 L C 0.009 176.867 176.870 -0.019 0.000 1.166 315 L CA 0.916 55.747 54.840 -0.015 0.000 0.880 315 L CB 0.492 42.559 42.059 0.013 0.000 1.142 315 L HN 0.356 nan 8.230 nan 0.000 0.473 316 T N 4.732 119.263 114.554 -0.038 0.000 2.770 316 T HA 0.598 4.949 4.350 0.001 0.000 0.283 316 T C -0.686 173.985 174.700 -0.049 0.000 0.988 316 T CA -0.385 61.685 62.100 -0.050 0.000 0.957 316 T CB 1.035 69.856 68.868 -0.078 0.000 0.930 316 T HN 0.299 nan 8.240 nan 0.000 0.443 317 V N 3.633 123.531 119.914 -0.028 0.000 2.588 317 V HA 0.486 4.606 4.120 0.001 0.000 0.304 317 V C 0.118 176.193 176.094 -0.031 0.000 1.042 317 V CA -0.826 61.464 62.300 -0.017 0.000 0.877 317 V CB 2.234 34.082 31.823 0.042 0.000 0.996 317 V HN 0.885 nan 8.190 nan 0.000 0.425 318 T N 3.045 117.569 114.554 -0.049 0.000 2.758 318 T HA 0.325 4.675 4.350 0.001 0.000 0.285 318 T C -0.008 174.673 174.700 -0.031 0.000 0.981 318 T CA -0.128 61.943 62.100 -0.049 0.000 0.965 318 T CB 1.277 70.101 68.868 -0.074 0.000 0.927 318 T HN 0.654 nan 8.240 nan 0.000 0.448 319 S N 4.136 119.824 115.700 -0.020 0.000 2.420 319 S HA 0.553 5.024 4.470 0.001 0.000 0.313 319 S C -0.252 174.338 174.600 -0.017 0.000 1.079 319 S CA -0.789 57.404 58.200 -0.012 0.000 1.104 319 S CB -0.237 62.961 63.200 -0.004 0.000 0.969 319 S HN 0.568 nan 8.310 nan 0.000 0.471 320 I N 4.546 125.106 120.570 -0.016 0.000 2.339 320 I HA 0.384 4.554 4.170 0.001 0.000 0.290 320 I C 1.085 177.189 176.117 -0.021 0.000 0.994 320 I CA -0.811 60.479 61.300 -0.018 0.000 1.191 320 I CB 1.480 39.472 38.000 -0.013 0.000 1.343 320 I HN 0.703 nan 8.210 nan 0.000 0.458 321 G N 3.902 112.687 108.800 -0.025 0.000 2.403 321 G HA2 0.501 4.461 3.960 0.001 0.000 0.259 321 G HA3 0.501 4.461 3.960 0.001 0.000 0.259 321 G C 0.140 175.017 174.900 -0.038 0.000 1.244 321 G CA 0.224 45.305 45.100 -0.032 0.000 0.849 321 G HN 0.799 nan 8.290 nan 0.000 0.532 322 A N 2.135 124.928 122.820 -0.044 0.000 2.085 322 A HA 0.964 5.284 4.320 0.001 0.000 0.202 322 A C 0.626 178.181 177.584 -0.048 0.000 2.124 322 A CA 0.751 52.757 52.037 -0.053 0.000 1.584 322 A CB 0.134 19.100 19.000 -0.057 0.000 1.136 322 A HN 2.079 nan 8.150 nan 0.000 0.493 323 A N -0.578 122.214 122.820 -0.047 0.000 2.589 323 A HA 0.695 5.016 4.320 0.001 0.000 0.296 323 A C -3.204 174.353 177.584 -0.045 0.000 1.062 323 A CA -1.365 50.653 52.037 -0.031 0.000 0.686 323 A CB 0.669 19.665 19.000 -0.008 0.000 1.282 323 A HN 0.226 nan 8.150 nan 0.000 0.404 324 P HA 0.410 nan 4.420 nan 0.000 0.267 324 P C -0.426 176.855 177.300 -0.031 0.000 1.200 324 P CA 0.684 63.654 63.100 -0.217 0.000 0.772 324 P CB -0.199 31.326 31.700 -0.292 0.000 0.855 325 F N -1.919 118.003 119.950 -0.046 0.000 3.006 325 F HA -0.188 4.339 4.527 0.001 0.000 0.318 325 F C 0.365 176.164 175.800 -0.002 0.000 0.936 325 F CA 0.035 58.013 58.000 -0.037 0.000 1.151 325 F CB -2.361 36.616 39.000 -0.038 0.000 1.212 325 F HN 0.177 nan 8.300 nan 0.000 0.687 326 L N 1.058 122.335 121.223 0.091 0.000 2.485 326 L HA 0.131 4.472 4.340 0.001 0.000 0.275 326 L C 1.434 178.413 176.870 0.182 0.000 1.207 326 L CA 0.571 55.464 54.840 0.088 0.000 0.855 326 L CB 0.588 42.664 42.059 0.030 0.000 1.114 326 L HN 0.499 nan 8.230 nan 0.000 0.485 327 H N 0.805 119.896 119.070 0.036 0.000 5.260 327 H HA 0.156 4.713 4.556 0.001 0.000 0.088 327 H C -0.749 174.602 175.328 0.039 0.000 1.309 327 H CA -0.204 55.876 56.048 0.053 0.000 0.380 327 H CB 0.937 30.728 29.762 0.049 0.000 1.656 327 H HN 0.786 nan 8.280 nan 0.000 0.116 328 D N 0.071 120.445 120.400 -0.044 0.000 2.487 328 D HA 0.523 5.164 4.640 0.001 0.000 0.262 328 D C 0.353 176.631 176.300 -0.036 0.000 1.130 328 D CA -0.348 53.600 54.000 -0.087 0.000 1.038 328 D CB 2.137 42.851 40.800 -0.143 0.000 1.142 328 D HN 0.739 nan 8.370 nan 0.000 0.575 329 G N -2.792 106.022 108.800 0.024 0.000 2.313 329 G HA2 0.590 4.550 3.960 0.001 0.000 0.296 329 G HA3 0.590 4.550 3.960 0.001 0.000 0.296 329 G C -1.101 173.912 174.900 0.187 0.000 1.356 329 G CA -0.302 44.788 45.100 -0.016 0.000 0.833 329 G HN 0.926 nan 8.290 nan 0.000 0.552 330 G N -2.003 106.918 108.800 0.203 0.000 2.608 330 G HA2 0.551 4.511 3.960 0.001 0.000 0.291 330 G HA3 0.551 4.511 3.960 0.001 0.000 0.291 330 G C -1.163 173.986 174.900 0.415 0.000 1.425 330 G CA -0.845 44.444 45.100 0.315 0.000 0.787 330 G HN 0.682 nan 8.290 nan 0.000 0.484 331 W N 0.928 122.597 121.300 0.615 0.000 2.079 331 W HA 0.331 4.991 4.660 0.000 0.000 0.354 331 W C 1.113 177.893 176.519 0.435 0.000 1.302 331 W CA -0.235 57.344 57.345 0.389 0.000 1.281 331 W CB 0.690 30.208 29.460 0.097 0.000 1.165 331 W HN 0.633 nan 8.180 nan 0.000 0.603 332 D N -0.584 120.211 120.400 0.658 0.000 2.478 332 D HA 0.010 4.651 4.640 0.001 0.000 0.269 332 D C 1.350 177.935 176.300 0.475 0.000 1.232 332 D CA 0.258 54.576 54.000 0.530 0.000 1.059 332 D CB 0.311 41.405 40.800 0.489 0.000 1.104 332 D HN 0.381 nan 8.370 nan 0.000 0.566 333 S N -0.525 115.379 115.700 0.340 0.000 2.382 333 S HA -0.213 4.258 4.470 0.001 0.000 0.228 333 S C 1.911 176.551 174.600 0.067 0.000 1.027 333 S CA 1.568 59.882 58.200 0.190 0.000 0.991 333 S CB -0.885 62.387 63.200 0.119 0.000 0.823 333 S HN 0.602 nan 8.310 nan 0.000 0.469 334 S N 0.231 115.989 115.700 0.097 0.000 2.527 334 S HA 0.069 4.539 4.470 0.001 0.000 0.222 334 S C 0.500 175.029 174.600 -0.118 0.000 0.985 334 S CA 0.348 58.522 58.200 -0.044 0.000 0.921 334 S CB -1.061 62.152 63.200 0.022 0.000 0.772 334 S HN 0.763 nan 8.310 nan 0.000 0.529 335 H N 0.139 119.082 119.070 -0.212 0.000 2.880 335 H HA -0.127 4.430 4.556 0.000 0.000 0.304 335 H C 1.155 175.928 175.328 -0.925 0.000 1.259 335 H CA 0.746 56.391 56.048 -0.672 0.000 1.153 335 H CB -0.954 28.251 29.762 -0.928 0.000 1.395 335 H HN 0.542 nan 8.280 nan 0.000 0.420 336 R N -0.065 120.222 120.500 -0.354 0.000 2.350 336 R HA 0.090 4.430 4.340 0.001 0.000 0.199 336 R C -0.413 175.769 176.300 -0.198 0.000 0.876 336 R CA 0.224 56.044 56.100 -0.466 0.000 1.062 336 R CB 0.778 30.687 30.300 -0.651 0.000 1.263 336 R HN 0.097 nan 8.270 nan 0.000 0.641 337 Y N 0.443 120.977 120.300 0.389 0.000 2.335 337 Y HA 0.291 4.841 4.550 0.001 0.000 0.339 337 Y C -0.714 175.477 175.900 0.485 0.000 0.987 337 Y CA -1.344 56.980 58.100 0.374 0.000 1.140 337 Y CB 1.005 39.624 38.460 0.264 0.000 1.173 337 Y HN -0.048 nan 8.280 nan 0.000 0.486 338 F N 5.796 125.924 119.950 0.297 0.000 2.404 338 F HA 0.378 4.906 4.527 0.001 0.000 0.359 338 F C -0.611 175.066 175.800 -0.205 0.000 1.134 338 F CA -1.713 56.245 58.000 -0.070 0.000 1.160 338 F CB 0.390 39.242 39.000 -0.246 0.000 1.186 338 F HN 0.322 nan 8.300 nan 0.000 0.526 339 M N 6.352 125.574 119.600 -0.630 0.000 2.151 339 M HA 0.181 4.661 4.480 0.001 0.000 0.349 339 M C 0.100 175.743 176.300 -1.095 0.000 1.284 339 M CA 0.002 54.683 55.300 -1.030 0.000 1.173 339 M CB 0.124 31.629 32.600 -1.825 0.000 1.469 339 M HN 0.571 nan 8.290 nan 0.000 0.439 340 T N 2.064 116.012 114.554 -1.009 0.000 2.885 340 T HA 0.819 5.170 4.350 0.001 0.000 0.285 340 T C -0.916 173.581 174.700 -0.339 0.000 1.019 340 T CA -0.526 61.124 62.100 -0.750 0.000 1.010 340 T CB 1.543 69.853 68.868 -0.930 0.000 1.022 340 T HN 0.723 nan 8.240 nan 0.000 0.466 341 A N 2.281 125.013 122.820 -0.146 0.000 2.304 341 A HA 0.775 5.096 4.320 0.001 0.000 0.323 341 A C 0.279 177.876 177.584 0.022 0.000 1.195 341 A CA -0.597 51.425 52.037 -0.025 0.000 0.826 341 A CB 0.806 19.831 19.000 0.041 0.000 1.184 341 A HN 1.131 nan 8.150 nan 0.000 0.496 342 A N 3.175 126.015 122.820 0.033 0.000 3.173 342 A HA 0.382 4.702 4.320 0.001 0.000 0.304 342 A C 1.004 178.646 177.584 0.097 0.000 1.318 342 A CA -0.273 51.814 52.037 0.084 0.000 1.069 342 A CB -1.024 18.012 19.000 0.061 0.000 1.147 342 A HN 1.009 nan 8.150 nan 0.000 0.547 343 N N 1.614 120.361 118.700 0.079 0.000 2.064 343 N HA -0.339 4.402 4.740 0.001 0.000 0.200 343 N C 0.904 176.411 175.510 -0.004 0.000 1.028 343 N CA 2.636 55.707 53.050 0.035 0.000 0.880 343 N CB -0.843 37.634 38.487 -0.018 0.000 1.062 343 N HN 0.710 nan 8.380 nan 0.000 0.454 344 N N -1.074 117.584 118.700 -0.070 0.000 2.520 344 N HA 0.063 4.803 4.740 0.001 0.000 0.185 344 N C 0.393 175.878 175.510 -0.042 0.000 1.068 344 N CA 0.586 53.509 53.050 -0.210 0.000 0.911 344 N CB 0.008 38.039 38.487 -0.760 0.000 0.961 344 N HN 0.253 nan 8.380 nan 0.000 0.446 345 S N 0.262 116.009 115.700 0.079 0.000 2.524 345 S HA 0.084 4.555 4.470 0.001 0.000 0.215 345 S C 0.029 174.668 174.600 0.064 0.000 0.986 345 S CA -0.307 57.953 58.200 0.101 0.000 0.911 345 S CB 0.288 63.568 63.200 0.132 0.000 0.805 345 S HN 0.308 nan 8.310 nan 0.000 0.501 346 N N 1.850 120.586 118.700 0.060 0.000 2.738 346 N HA -0.142 4.598 4.740 0.001 0.000 0.249 346 N C -0.696 174.863 175.510 0.082 0.000 1.047 346 N CA 1.100 54.196 53.050 0.076 0.000 0.707 346 N CB -1.025 37.495 38.487 0.055 0.000 0.937 346 N HN 0.525 nan 8.380 nan 0.000 0.545 347 K N -0.928 119.517 120.400 0.074 0.000 2.509 347 K HA 0.660 4.981 4.320 0.001 0.000 0.266 347 K C -0.803 175.819 176.600 0.036 0.000 0.987 347 K CA -0.742 55.578 56.287 0.055 0.000 0.868 347 K CB 2.509 35.027 32.500 0.029 0.000 1.421 347 K HN -0.119 nan 8.250 nan 0.000 0.444 348 V N 1.713 121.634 119.914 0.012 0.000 2.407 348 V HA 0.466 4.586 4.120 0.001 0.000 0.291 348 V C -0.610 175.399 176.094 -0.141 0.000 1.018 348 V CA -0.743 61.525 62.300 -0.054 0.000 0.842 348 V CB 1.337 33.163 31.823 0.005 0.000 0.996 348 V HN 0.904 nan 8.190 nan 0.000 0.426 349 A N 5.090 127.788 122.820 -0.203 0.000 2.327 349 A HA 0.785 5.106 4.320 0.001 0.000 0.283 349 A C -0.482 176.885 177.584 -0.362 0.000 1.127 349 A CA -0.384 51.510 52.037 -0.238 0.000 0.810 349 A CB 1.051 19.937 19.000 -0.190 0.000 1.066 349 A HN 0.702 nan 8.150 nan 0.000 0.492 350 V N 4.300 123.984 119.914 -0.383 0.000 2.350 350 V HA 0.287 4.407 4.120 0.001 0.000 0.285 350 V C -0.614 175.286 176.094 -0.323 0.000 1.014 350 V CA -0.423 61.579 62.300 -0.496 0.000 0.831 350 V CB 1.081 32.352 31.823 -0.920 0.000 1.000 350 V HN 0.671 nan 8.190 nan 0.000 0.433 351 I N 3.558 124.051 120.570 -0.129 0.000 2.312 351 I HA 0.328 4.499 4.170 0.001 0.000 0.290 351 I C 0.106 176.348 176.117 0.209 0.000 1.008 351 I CA -0.280 61.051 61.300 0.051 0.000 1.226 351 I CB 1.447 39.547 38.000 0.166 0.000 1.371 351 I HN 0.563 nan 8.210 nan 0.000 0.468 352 D N 4.702 125.222 120.400 0.199 0.000 2.352 352 D HA 0.059 4.699 4.640 0.001 0.000 0.245 352 D C 1.261 177.658 176.300 0.162 0.000 1.224 352 D CA 0.067 54.232 54.000 0.274 0.000 0.879 352 D CB 1.110 42.088 40.800 0.296 0.000 1.057 352 D HN 0.577 nan 8.370 nan 0.000 0.491 353 S N 3.426 119.222 115.700 0.160 0.000 2.453 353 S HA -0.127 4.343 4.470 0.001 0.000 0.231 353 S C 1.654 176.348 174.600 0.157 0.000 1.005 353 S CA 0.531 58.836 58.200 0.175 0.000 0.949 353 S CB 0.220 63.590 63.200 0.283 0.000 0.774 353 S HN 0.486 nan 8.310 nan 0.000 0.510 354 K N 1.257 121.701 120.400 0.073 0.000 1.995 354 K HA -0.038 4.282 4.320 0.001 0.000 0.207 354 K C 1.193 177.914 176.600 0.202 0.000 1.041 354 K CA 1.526 57.881 56.287 0.113 0.000 0.942 354 K CB -0.217 32.276 32.500 -0.012 0.000 0.731 354 K HN 0.161 nan 8.250 nan 0.000 0.439 355 D N 0.513 120.987 120.400 0.123 0.000 2.312 355 D HA -0.037 4.603 4.640 0.001 0.000 0.211 355 D C -0.356 175.977 176.300 0.054 0.000 0.964 355 D CA 0.547 54.603 54.000 0.095 0.000 0.877 355 D CB 0.042 40.906 40.800 0.106 0.000 0.924 355 D HN 0.202 nan 8.370 nan 0.000 0.515 356 R N 0.101 120.637 120.500 0.060 0.000 3.144 356 R HA -0.204 4.136 4.340 0.001 0.000 0.255 356 R C -0.263 176.044 176.300 0.011 0.000 0.949 356 R CA 0.482 56.592 56.100 0.017 0.000 0.649 356 R CB -1.887 28.377 30.300 -0.060 0.000 1.229 356 R HN 0.391 nan 8.270 nan 0.000 0.440 357 R N -0.982 119.538 120.500 0.033 0.000 2.733 357 R HA 0.492 4.832 4.340 0.001 0.000 0.272 357 R C -1.373 174.928 176.300 0.002 0.000 1.029 357 R CA -1.323 54.785 56.100 0.014 0.000 0.888 357 R CB 0.800 31.112 30.300 0.020 0.000 1.251 357 R HN 0.007 nan 8.270 nan 0.000 0.464 358 L N 1.921 123.126 121.223 -0.030 0.000 2.325 358 L HA 0.283 4.623 4.340 0.001 0.000 0.284 358 L C 0.406 177.205 176.870 -0.118 0.000 1.089 358 L CA 0.462 55.255 54.840 -0.078 0.000 0.836 358 L CB 1.356 43.371 42.059 -0.074 0.000 1.184 358 L HN 0.812 nan 8.230 nan 0.000 0.444 359 S N 3.604 119.173 115.700 -0.218 0.000 2.406 359 S HA 0.403 4.873 4.470 0.001 0.000 0.228 359 S C 0.597 174.960 174.600 -0.395 0.000 1.020 359 S CA 0.721 58.722 58.200 -0.331 0.000 0.965 359 S CB -0.181 62.631 63.200 -0.647 0.000 0.798 359 S HN 0.912 nan 8.310 nan 0.000 0.488 360 A N -0.302 122.271 122.820 -0.412 0.000 2.490 360 A HA 0.641 4.961 4.320 0.001 0.000 0.292 360 A C -2.199 175.258 177.584 -0.213 0.000 1.047 360 A CA -0.791 51.087 52.037 -0.265 0.000 0.632 360 A CB 0.370 19.221 19.000 -0.249 0.000 1.323 360 A HN 0.150 nan 8.150 nan 0.000 0.448 361 L N 1.176 122.332 121.223 -0.111 0.000 2.406 361 L HA 0.518 4.858 4.340 0.001 0.000 0.270 361 L C -1.046 175.807 176.870 -0.028 0.000 0.982 361 L CA -0.854 53.940 54.840 -0.077 0.000 0.843 361 L CB 1.802 43.832 42.059 -0.048 0.000 1.225 361 L HN 0.533 nan 8.230 nan 0.000 0.412 362 V N 1.414 121.317 119.914 -0.018 0.000 2.407 362 V HA 0.275 4.395 4.120 0.001 0.000 0.278 362 V C -0.074 176.048 176.094 0.046 0.000 1.037 362 V CA -0.817 61.503 62.300 0.034 0.000 0.900 362 V CB 1.617 33.480 31.823 0.067 0.000 0.983 362 V HN 0.537 nan 8.190 nan 0.000 0.459 363 D N 3.401 123.830 120.400 0.049 0.000 2.348 363 D HA 0.416 5.057 4.640 0.001 0.000 0.253 363 D C 0.291 176.634 176.300 0.072 0.000 1.161 363 D CA 0.260 54.291 54.000 0.052 0.000 0.876 363 D CB 2.026 42.848 40.800 0.037 0.000 1.160 363 D HN 0.502 nan 8.370 nan 0.000 0.459 364 V N 0.104 120.077 119.914 0.098 0.000 3.998 364 V HA 0.842 4.963 4.120 0.001 0.000 0.297 364 V C 0.798 176.929 176.094 0.062 0.000 1.378 364 V CA -0.652 61.732 62.300 0.140 0.000 0.949 364 V CB 0.370 32.370 31.823 0.296 0.000 1.258 364 V HN 0.455 nan 8.190 nan 0.000 0.471 365 G N -0.474 108.313 108.800 -0.022 0.000 2.508 365 G HA2 0.460 4.420 3.960 0.001 0.000 0.278 365 G HA3 0.460 4.420 3.960 0.001 0.000 0.278 365 G C -0.686 174.172 174.900 -0.071 0.000 1.389 365 G CA -0.828 44.043 45.100 -0.382 0.000 1.050 365 G HN 0.769 nan 8.290 nan 0.000 0.522 366 K N 0.948 121.291 120.400 -0.094 0.000 2.316 366 K HA 0.425 4.745 4.320 0.001 0.000 0.289 366 K C -0.066 176.621 176.600 0.145 0.000 1.070 366 K CA 0.276 56.581 56.287 0.029 0.000 0.928 366 K CB 0.578 33.071 32.500 -0.012 0.000 1.039 366 K HN 0.476 nan 8.250 nan 0.000 0.480 367 T N 2.963 117.594 114.554 0.128 0.000 3.318 367 T HA -0.090 4.261 4.350 0.001 0.000 0.428 367 T C -2.460 172.336 174.700 0.160 0.000 0.768 367 T CA -0.633 61.527 62.100 0.099 0.000 2.218 367 T CB -1.521 67.367 68.868 0.033 0.000 1.689 367 T HN 0.436 nan 8.240 nan 0.000 0.671 368 P HA 0.159 nan 4.420 nan 0.000 0.268 368 P C 0.004 177.299 177.300 -0.009 0.000 1.204 368 P CA 0.227 63.276 63.100 -0.085 0.000 0.768 368 P CB 0.444 32.134 31.700 -0.017 0.000 0.842 369 H N 4.875 123.845 119.070 -0.167 0.000 2.439 369 H HA 0.212 4.768 4.556 0.001 0.000 0.228 369 H C -2.063 173.198 175.328 -0.112 0.000 1.423 369 H CA -1.934 54.062 56.048 -0.085 0.000 1.386 369 H CB 0.966 30.662 29.762 -0.110 0.000 1.641 369 H HN 0.151 nan 8.280 nan 0.000 0.508 370 P HA -0.013 nan 4.420 nan 0.000 0.218 370 P C 1.166 178.470 177.300 0.007 0.000 1.149 370 P CA 2.047 65.103 63.100 -0.074 0.000 0.817 370 P CB 0.770 32.520 31.700 0.082 0.000 0.785 371 G N 0.098 108.866 108.800 -0.052 0.000 2.652 371 G HA2 -0.346 3.615 3.960 0.001 0.000 0.278 371 G HA3 -0.346 3.615 3.960 0.001 0.000 0.278 371 G C 1.123 176.095 174.900 0.119 0.000 1.263 371 G CA 0.375 45.565 45.100 0.149 0.000 0.966 371 G HN 0.292 nan 8.290 nan 0.000 0.544 372 R N 1.404 121.942 120.500 0.063 0.000 2.308 372 R HA 0.465 4.805 4.340 0.001 0.000 0.202 372 R C 1.293 177.587 176.300 -0.010 0.000 0.898 372 R CA 1.420 57.431 56.100 -0.148 0.000 1.046 372 R CB 0.298 30.229 30.300 -0.614 0.000 1.026 372 R HN 2.096 nan 8.270 nan 0.000 0.512 373 G N 0.110 108.915 108.800 0.007 0.000 2.685 373 G HA2 -0.015 3.946 3.960 0.001 0.000 0.387 373 G HA3 -0.015 3.946 3.960 0.001 0.000 0.387 373 G C -1.190 173.667 174.900 -0.072 0.000 1.324 373 G CA -0.514 44.442 45.100 -0.240 0.000 0.878 373 G HN 0.350 nan 8.290 nan 0.000 0.527 374 A N 0.358 123.036 122.820 -0.237 0.000 2.385 374 A HA 0.753 5.073 4.320 0.001 0.000 0.290 374 A C -0.365 177.312 177.584 0.155 0.000 1.094 374 A CA -0.546 51.559 52.037 0.113 0.000 0.729 374 A CB 1.083 20.187 19.000 0.174 0.000 1.194 374 A HN 0.833 nan 8.150 nan 0.000 0.442 375 N N 1.640 120.532 118.700 0.319 0.000 2.405 375 N HA 0.840 5.581 4.740 0.001 0.000 0.299 375 N C -0.983 174.736 175.510 0.348 0.000 1.075 375 N CA 0.143 53.359 53.050 0.278 0.000 0.884 375 N CB 1.905 40.585 38.487 0.322 0.000 1.194 375 N HN 0.689 nan 8.380 nan 0.000 0.491 376 F N -2.418 117.609 119.950 0.128 0.000 2.770 376 F HA 0.395 4.923 4.527 0.001 0.000 0.313 376 F C -1.531 174.324 175.800 0.091 0.000 1.154 376 F CA -1.238 56.816 58.000 0.089 0.000 0.923 376 F CB 0.528 39.575 39.000 0.078 0.000 1.301 376 F HN 0.010 nan 8.300 nan 0.000 0.449 377 V N 2.845 122.908 119.914 0.248 0.000 2.368 377 V HA 0.210 4.330 4.120 0.001 0.000 0.266 377 V C 0.165 176.400 176.094 0.235 0.000 1.045 377 V CA -0.313 62.069 62.300 0.136 0.000 0.899 377 V CB 0.288 32.174 31.823 0.104 0.000 1.006 377 V HN 0.840 nan 8.190 nan 0.000 0.470 378 H N 8.359 127.469 119.070 0.067 0.000 2.732 378 H HA 0.181 4.737 4.556 0.000 0.000 0.351 378 H C -1.616 173.740 175.328 0.047 0.000 1.090 378 H CA -1.512 54.614 56.048 0.130 0.000 1.431 378 H CB 2.201 32.018 29.762 0.091 0.000 1.447 378 H HN 0.359 nan 8.280 nan 0.000 0.582 379 P HA -0.149 nan 4.420 nan 0.000 0.213 379 P C 1.365 178.697 177.300 0.053 0.000 1.170 379 P CA 1.561 64.641 63.100 -0.033 0.000 0.898 379 P CB 0.338 31.963 31.700 -0.125 0.000 0.787 380 K N -1.222 119.233 120.400 0.091 0.000 2.044 380 K HA -0.099 4.222 4.320 0.001 0.000 0.204 380 K C 1.846 178.276 176.600 -0.284 0.000 1.049 380 K CA 1.140 57.321 56.287 -0.176 0.000 0.945 380 K CB -0.286 31.905 32.500 -0.515 0.000 0.724 380 K HN 0.039 nan 8.250 nan 0.000 0.440 381 Y N 0.201 120.458 120.300 -0.073 0.000 2.482 381 Y HA 0.276 4.826 4.550 0.000 0.000 0.270 381 Y C 1.174 176.907 175.900 -0.279 0.000 1.152 381 Y CA 0.223 58.052 58.100 -0.452 0.000 1.292 381 Y CB 0.297 38.244 38.460 -0.855 0.000 1.070 381 Y HN 0.357 nan 8.280 nan 0.000 0.528 382 G N 0.377 109.131 108.800 -0.077 0.000 2.584 382 G HA2 -0.236 3.724 3.960 0.001 0.000 0.229 382 G HA3 -0.236 3.724 3.960 0.001 0.000 0.229 382 G C -2.745 172.030 174.900 -0.208 0.000 1.320 382 G CA -1.187 43.708 45.100 -0.343 0.000 0.891 382 G HN 0.024 nan 8.290 nan 0.000 0.573 383 P HA 0.393 nan 4.420 nan 0.000 0.263 383 P C 0.250 177.470 177.300 -0.134 0.000 1.195 383 P CA 0.688 63.718 63.100 -0.117 0.000 0.762 383 P CB 0.922 32.588 31.700 -0.057 0.000 0.799 384 V N 1.311 121.115 119.914 -0.183 0.000 3.141 384 V HA 0.767 4.887 4.120 0.001 0.000 0.312 384 V C -1.654 174.394 176.094 -0.077 0.000 1.157 384 V CA -1.214 60.976 62.300 -0.183 0.000 1.041 384 V CB 2.434 34.047 31.823 -0.349 0.000 1.071 384 V HN 0.562 nan 8.190 nan 0.000 0.441 385 W N 1.882 123.104 121.300 -0.131 0.000 2.819 385 W HA 0.826 5.487 4.660 0.001 0.000 0.337 385 W C -0.405 176.116 176.519 0.004 0.000 1.077 385 W CA 0.177 57.525 57.345 0.004 0.000 1.226 385 W CB 2.200 31.732 29.460 0.120 0.000 1.419 385 W HN 1.075 nan 8.180 nan 0.000 0.502 386 S N 3.137 118.545 115.700 -0.486 0.000 2.599 386 S HA 0.855 5.325 4.470 0.001 0.000 0.287 386 S C -0.931 173.206 174.600 -0.772 0.000 1.105 386 S CA -0.804 57.155 58.200 -0.401 0.000 0.899 386 S CB 2.048 65.223 63.200 -0.040 0.000 1.100 386 S HN 0.586 nan 8.310 nan 0.000 0.482 387 T N 0.492 114.795 114.554 -0.419 0.000 2.923 387 T HA 0.692 5.043 4.350 0.001 0.000 0.311 387 T C -0.473 174.107 174.700 -0.200 0.000 1.183 387 T CA -0.297 61.578 62.100 -0.374 0.000 1.020 387 T CB 1.415 70.068 68.868 -0.358 0.000 1.165 387 T HN 1.178 nan 8.240 nan 0.000 0.482 388 S N 2.538 118.141 115.700 -0.163 0.000 2.758 388 S HA 0.810 5.281 4.470 0.001 0.000 0.292 388 S C -0.869 173.587 174.600 -0.240 0.000 1.131 388 S CA -0.551 57.623 58.200 -0.043 0.000 0.997 388 S CB 0.781 64.012 63.200 0.052 0.000 1.111 388 S HN 0.842 nan 8.310 nan 0.000 0.552 389 H N -1.065 118.031 119.070 0.044 0.000 2.821 389 H HA 0.516 5.072 4.556 0.001 0.000 0.373 389 H C 0.225 175.567 175.328 0.024 0.000 1.165 389 H CA -0.809 55.265 56.048 0.044 0.000 1.154 389 H CB 1.288 31.071 29.762 0.035 0.000 1.765 389 H HN 0.410 nan 8.280 nan 0.000 0.549 390 L N 0.499 121.798 121.223 0.127 0.000 2.249 390 L HA 0.124 4.464 4.340 0.001 0.000 0.207 390 L C 2.156 179.058 176.870 0.053 0.000 1.090 390 L CA 1.159 56.029 54.840 0.050 0.000 0.802 390 L CB 0.035 42.087 42.059 -0.010 0.000 0.947 390 L HN 0.886 nan 8.230 nan 0.000 0.453 391 G N -0.498 108.348 108.800 0.077 0.000 2.712 391 G HA2 -0.026 3.934 3.960 0.001 0.000 0.212 391 G HA3 -0.026 3.934 3.960 0.001 0.000 0.212 391 G C -0.144 174.769 174.900 0.021 0.000 1.142 391 G CA 0.551 45.671 45.100 0.034 0.000 0.789 391 G HN 0.512 nan 8.290 nan 0.000 0.535 392 D N -3.570 116.856 120.400 0.043 0.000 2.692 392 D HA 0.407 5.048 4.640 0.001 0.000 0.303 392 D C 0.436 176.763 176.300 0.046 0.000 1.278 392 D CA -0.151 53.855 54.000 0.010 0.000 0.852 392 D CB 0.544 41.311 40.800 -0.055 0.000 1.375 392 D HN -0.077 nan 8.370 nan 0.000 0.453 393 G N -0.860 107.961 108.800 0.035 0.000 3.707 393 G HA2 0.384 4.344 3.960 0.001 0.000 0.286 393 G HA3 0.384 4.344 3.960 0.001 0.000 0.286 393 G C 0.146 175.099 174.900 0.088 0.000 1.112 393 G CA 0.148 45.287 45.100 0.066 0.000 0.861 393 G HN 0.638 nan 8.290 nan 0.000 0.534 394 S N -0.261 115.474 115.700 0.058 0.000 2.646 394 S HA 0.724 5.194 4.470 0.001 0.000 0.276 394 S C -0.616 174.098 174.600 0.190 0.000 1.222 394 S CA -0.528 57.705 58.200 0.055 0.000 1.014 394 S CB 1.894 65.043 63.200 -0.086 0.000 0.991 394 S HN -0.040 nan 8.310 nan 0.000 0.533 395 I N 1.913 122.564 120.570 0.134 0.000 2.439 395 I HA 0.320 4.491 4.170 0.001 0.000 0.285 395 I C -0.274 175.910 176.117 0.110 0.000 1.021 395 I CA -0.001 61.374 61.300 0.126 0.000 1.091 395 I CB 1.964 39.955 38.000 -0.015 0.000 1.242 395 I HN 0.650 nan 8.210 nan 0.000 0.439 396 S N 6.670 122.478 115.700 0.180 0.000 2.513 396 S HA 0.625 5.095 4.470 0.001 0.000 0.276 396 S C -0.267 174.378 174.600 0.076 0.000 1.254 396 S CA -0.536 57.748 58.200 0.140 0.000 1.053 396 S CB 0.584 63.921 63.200 0.230 0.000 0.958 396 S HN 0.340 nan 8.310 nan 0.000 0.491 397 L N 4.499 125.744 121.223 0.037 0.000 2.298 397 L HA 0.570 4.910 4.340 0.001 0.000 0.284 397 L C -0.742 176.111 176.870 -0.029 0.000 1.013 397 L CA -0.340 54.494 54.840 -0.009 0.000 0.824 397 L CB 0.825 42.857 42.059 -0.044 0.000 1.221 397 L HN 0.497 nan 8.230 nan 0.000 0.418 398 I N 2.157 122.766 120.570 0.065 0.000 2.433 398 I HA 0.390 4.560 4.170 0.001 0.000 0.292 398 I C 0.810 176.950 176.117 0.038 0.000 1.001 398 I CA -0.555 60.800 61.300 0.092 0.000 1.119 398 I CB 2.048 40.203 38.000 0.259 0.000 1.289 398 I HN 0.591 nan 8.210 nan 0.000 0.438 399 G N 2.521 111.288 108.800 -0.054 0.000 2.378 399 G HA2 0.366 4.326 3.960 0.001 0.000 0.255 399 G HA3 0.366 4.326 3.960 0.001 0.000 0.255 399 G C 0.417 175.175 174.900 -0.236 0.000 1.270 399 G CA -0.087 44.936 45.100 -0.129 0.000 0.876 399 G HN 0.732 nan 8.290 nan 0.000 0.521 400 T N -1.057 113.348 114.554 -0.247 0.000 3.487 400 T HA 0.241 4.592 4.350 0.001 0.000 0.287 400 T C -0.317 174.180 174.700 -0.338 0.000 1.004 400 T CA -0.510 61.374 62.100 -0.360 0.000 0.977 400 T CB 0.656 69.606 68.868 0.136 0.000 1.180 400 T HN 0.353 nan 8.240 nan 0.000 0.490 401 D N 1.976 122.149 120.400 -0.378 0.000 2.441 401 D HA 0.353 4.993 4.640 0.001 0.000 0.287 401 D C -1.799 174.380 176.300 -0.201 0.000 1.198 401 D CA -2.365 51.543 54.000 -0.153 0.000 0.894 401 D CB 1.792 42.600 40.800 0.014 0.000 1.070 401 D HN 0.040 nan 8.370 nan 0.000 0.499 402 P HA -0.124 nan 4.420 nan 0.000 0.216 402 P C 1.321 178.581 177.300 -0.067 0.000 1.153 402 P CA 0.898 63.855 63.100 -0.239 0.000 0.848 402 P CB 0.698 32.312 31.700 -0.143 0.000 0.787 403 K N -0.199 120.205 120.400 0.008 0.000 1.991 403 K HA -0.074 4.246 4.320 0.001 0.000 0.212 403 K C 1.599 178.197 176.600 -0.002 0.000 1.049 403 K CA 1.576 57.880 56.287 0.027 0.000 0.932 403 K CB -0.548 31.988 32.500 0.060 0.000 0.717 403 K HN 0.026 nan 8.250 nan 0.000 0.441 404 N N -0.712 117.999 118.700 0.019 0.000 2.236 404 N HA 0.040 4.780 4.740 0.001 0.000 0.196 404 N C -0.566 174.832 175.510 -0.186 0.000 1.114 404 N CA 0.309 53.334 53.050 -0.042 0.000 0.859 404 N CB 0.704 39.202 38.487 0.018 0.000 0.982 404 N HN 0.219 nan 8.380 nan 0.000 0.493 405 H N -1.248 117.782 119.070 -0.066 0.000 2.825 405 H HA 0.221 4.777 4.556 0.000 0.000 0.226 405 H C -1.798 173.426 175.328 -0.174 0.000 1.414 405 H CA -0.957 55.044 56.048 -0.079 0.000 1.198 405 H CB 1.177 30.953 29.762 0.024 0.000 2.013 405 H HN -0.002 nan 8.280 nan 0.000 0.530 406 P HA -0.167 nan 4.420 nan 0.000 0.221 406 P C 0.978 178.159 177.300 -0.198 0.000 1.145 406 P CA 1.100 64.106 63.100 -0.156 0.000 0.795 406 P CB 0.454 32.083 31.700 -0.118 0.000 0.775 407 Q N -1.892 117.726 119.800 -0.304 0.000 2.297 407 Q HA -0.104 4.236 4.340 0.001 0.000 0.204 407 Q C 1.021 176.772 176.000 -0.414 0.000 0.962 407 Q CA 1.341 56.882 55.803 -0.436 0.000 0.879 407 Q CB -0.702 27.603 28.738 -0.722 0.000 0.947 407 Q HN 0.387 nan 8.270 nan 0.000 0.462 408 Y N -0.624 119.653 120.300 -0.037 0.000 2.426 408 Y HA 0.517 5.067 4.550 0.000 0.000 0.249 408 Y C 0.432 176.206 175.900 -0.210 0.000 1.103 408 Y CA -1.087 56.958 58.100 -0.092 0.000 1.256 408 Y CB -0.164 38.272 38.460 -0.040 0.000 1.208 408 Y HN -0.039 nan 8.280 nan 0.000 0.519 409 A N 0.088 122.780 122.820 -0.212 0.000 2.548 409 A HA 0.111 4.431 4.320 0.001 0.000 0.247 409 A C 0.071 177.358 177.584 -0.496 0.000 1.067 409 A CA 0.067 51.699 52.037 -0.675 0.000 0.757 409 A CB -1.046 17.404 19.000 -0.916 0.000 0.996 409 A HN 0.729 nan 8.150 nan 0.000 0.504 410 W N 0.329 121.596 121.300 -0.055 0.000 4.435 410 W HA -0.206 4.455 4.660 0.001 0.000 0.351 410 W C 0.289 176.788 176.519 -0.035 0.000 1.319 410 W CA 0.625 57.930 57.345 -0.066 0.000 0.791 410 W CB -1.438 27.971 29.460 -0.085 0.000 2.419 410 W HN 0.672 nan 8.180 nan 0.000 1.406 411 K N 0.921 121.396 120.400 0.124 0.000 2.316 411 K HA 0.292 4.612 4.320 0.001 0.000 0.251 411 K C 0.239 176.843 176.600 0.006 0.000 0.934 411 K CA -1.223 55.101 56.287 0.062 0.000 0.802 411 K CB 1.643 34.164 32.500 0.036 0.000 1.171 411 K HN -0.164 nan 8.250 nan 0.000 0.426 412 K N 3.598 124.001 120.400 0.004 0.000 2.081 412 K HA 0.019 4.339 4.320 0.001 0.000 0.230 412 K C 0.828 177.347 176.600 -0.135 0.000 1.199 412 K CA -0.004 56.267 56.287 -0.027 0.000 1.130 412 K CB 0.082 32.590 32.500 0.013 0.000 1.386 412 K HN 0.424 nan 8.250 nan 0.000 0.280 413 V N 2.355 122.105 119.914 -0.273 0.000 2.469 413 V HA -0.183 3.937 4.120 0.001 0.000 0.251 413 V C 0.668 176.396 176.094 -0.611 0.000 1.064 413 V CA 2.074 63.995 62.300 -0.631 0.000 1.066 413 V CB -0.192 30.992 31.823 -1.065 0.000 0.667 413 V HN 0.840 nan 8.190 nan 0.000 0.461 414 A N -1.720 120.896 122.820 -0.340 0.000 2.515 414 A HA 0.682 5.002 4.320 0.001 0.000 0.292 414 A C -1.065 176.491 177.584 -0.047 0.000 1.065 414 A CA -0.713 51.233 52.037 -0.153 0.000 0.641 414 A CB 1.006 19.952 19.000 -0.089 0.000 1.306 414 A HN 0.259 nan 8.150 nan 0.000 0.441 415 E N -0.529 119.676 120.200 0.008 0.000 2.359 415 E HA 0.787 5.137 4.350 0.001 0.000 0.266 415 E C -1.399 175.225 176.600 0.039 0.000 0.920 415 E CA -0.720 55.696 56.400 0.026 0.000 0.788 415 E CB 2.415 32.130 29.700 0.025 0.000 1.279 415 E HN 0.519 nan 8.360 nan 0.000 0.438 416 L N 0.984 122.217 121.223 0.016 0.000 2.350 416 L HA 0.432 4.772 4.340 0.001 0.000 0.260 416 L C -1.047 175.878 176.870 0.093 0.000 1.015 416 L CA -1.052 53.784 54.840 -0.007 0.000 0.821 416 L CB 2.151 44.021 42.059 -0.315 0.000 1.370 416 L HN 0.300 nan 8.230 nan 0.000 0.416 417 Q N 1.057 121.006 119.800 0.248 0.000 2.310 417 Q HA 0.476 4.816 4.340 0.001 0.000 0.270 417 Q C -0.140 176.150 176.000 0.483 0.000 1.025 417 Q CA -0.345 55.632 55.803 0.290 0.000 0.772 417 Q CB 2.291 31.174 28.738 0.241 0.000 1.253 417 Q HN 0.820 nan 8.270 nan 0.000 0.450 418 G N 0.799 109.769 108.800 0.283 0.000 2.531 418 G HA2 0.132 4.092 3.960 0.001 0.000 0.281 418 G HA3 0.132 4.092 3.960 0.001 0.000 0.281 418 G C 0.560 175.365 174.900 -0.158 0.000 1.382 418 G CA -0.208 44.892 45.100 0.000 0.000 1.045 418 G HN 0.545 nan 8.290 nan 0.000 0.533 419 Q N -0.687 118.891 119.800 -0.370 0.000 2.226 419 Q HA 0.197 4.537 4.340 0.001 0.000 0.204 419 Q C 1.122 177.109 176.000 -0.022 0.000 0.975 419 Q CA 0.986 56.693 55.803 -0.161 0.000 0.866 419 Q CB 0.013 28.636 28.738 -0.193 0.000 0.915 419 Q HN 0.725 nan 8.270 nan 0.000 0.440 420 G N -1.115 107.677 108.800 -0.012 0.000 2.345 420 G HA2 0.279 4.239 3.960 0.001 0.000 0.285 420 G HA3 0.279 4.239 3.960 0.001 0.000 0.285 420 G C -0.636 174.278 174.900 0.024 0.000 1.297 420 G CA -0.738 44.372 45.100 0.016 0.000 0.875 420 G HN 0.208 nan 8.290 nan 0.000 0.506 421 G N -1.700 107.116 108.800 0.027 0.000 2.570 421 G HA2 0.561 4.521 3.960 0.001 0.000 0.276 421 G HA3 0.561 4.521 3.960 0.001 0.000 0.276 421 G C 1.412 176.337 174.900 0.041 0.000 1.346 421 G CA 1.304 46.427 45.100 0.039 0.000 1.034 421 G HN 2.468 nan 8.290 nan 0.000 0.512 422 G N -1.929 106.904 108.800 0.054 0.000 2.148 422 G HA2 -0.196 3.764 3.960 0.001 0.000 0.254 422 G HA3 -0.196 3.764 3.960 0.001 0.000 0.254 422 G C 0.630 175.573 174.900 0.072 0.000 0.981 422 G CA 0.854 46.006 45.100 0.088 0.000 0.670 422 G HN 1.264 nan 8.290 nan 0.000 0.528 423 S N -1.031 114.692 115.700 0.039 0.000 2.580 423 S HA 0.626 5.096 4.470 0.001 0.000 0.274 423 S C 1.135 175.684 174.600 -0.085 0.000 1.329 423 S CA -0.017 58.191 58.200 0.014 0.000 1.036 423 S CB 1.148 64.376 63.200 0.046 0.000 0.919 423 S HN 0.443 nan 8.310 nan 0.000 0.515 424 L N 3.378 124.513 121.223 -0.147 0.000 2.663 424 L HA 0.598 4.938 4.340 0.001 0.000 0.218 424 L C -0.937 175.582 176.870 -0.586 0.000 1.043 424 L CA 0.939 55.462 54.840 -0.528 0.000 0.876 424 L CB 0.097 41.836 42.059 -0.534 0.000 1.263 424 L HN 0.651 nan 8.230 nan 0.000 0.486 425 F N -0.521 119.533 119.950 0.174 0.000 2.547 425 F HA 0.501 5.029 4.527 0.000 0.000 0.316 425 F C -0.229 175.660 175.800 0.147 0.000 1.121 425 F CA -0.842 57.258 58.000 0.166 0.000 0.911 425 F CB 1.805 40.888 39.000 0.138 0.000 1.179 425 F HN -0.293 nan 8.300 nan 0.000 0.443 426 I N 2.914 123.660 120.570 0.293 0.000 2.562 426 I HA 0.679 4.850 4.170 0.001 0.000 0.301 426 I C -1.162 175.116 176.117 0.268 0.000 1.003 426 I CA -0.665 60.776 61.300 0.234 0.000 1.127 426 I CB 1.678 39.739 38.000 0.101 0.000 1.304 426 I HN 0.627 nan 8.210 nan 0.000 0.446 427 K N 3.259 123.864 120.400 0.341 0.000 2.568 427 K HA 0.645 4.965 4.320 0.001 0.000 0.273 427 K C -1.190 175.729 176.600 0.532 0.000 0.951 427 K CA -0.433 56.094 56.287 0.401 0.000 0.854 427 K CB 2.096 34.827 32.500 0.384 0.000 1.424 427 K HN 0.677 nan 8.250 nan 0.000 0.427 428 T N 0.200 115.030 114.554 0.461 0.000 2.661 428 T HA 0.435 4.785 4.350 0.001 0.000 0.305 428 T C -2.208 172.403 174.700 -0.148 0.000 1.441 428 T CA -0.493 61.802 62.100 0.325 0.000 0.999 428 T CB 0.712 69.726 68.868 0.244 0.000 1.650 428 T HN 0.565 nan 8.240 nan 0.000 0.489 429 H N -0.013 118.806 119.070 -0.419 0.000 3.012 429 H HA 0.366 4.923 4.556 0.001 0.000 0.367 429 H C -2.358 172.885 175.328 -0.142 0.000 1.211 429 H CA -1.526 54.241 56.048 -0.468 0.000 1.139 429 H CB 2.492 31.642 29.762 -1.021 0.000 1.838 429 H HN 0.326 nan 8.280 nan 0.000 0.550 430 P HA -0.081 nan 4.420 nan 0.000 0.217 430 P C 0.534 177.864 177.300 0.049 0.000 1.148 430 P CA 1.561 64.585 63.100 -0.127 0.000 0.828 430 P CB 0.302 31.863 31.700 -0.231 0.000 0.783 431 K N -1.234 119.313 120.400 0.245 0.000 2.404 431 K HA 0.159 4.480 4.320 0.001 0.000 0.194 431 K C 0.744 177.458 176.600 0.190 0.000 1.023 431 K CA 0.011 56.432 56.287 0.223 0.000 1.094 431 K CB 0.204 32.857 32.500 0.255 0.000 0.841 431 K HN 0.040 nan 8.250 nan 0.000 0.523 432 S N 0.071 115.887 115.700 0.194 0.000 2.578 432 S HA 0.219 4.690 4.470 0.001 0.000 0.301 432 S C 0.488 175.139 174.600 0.084 0.000 1.091 432 S CA -0.811 57.507 58.200 0.198 0.000 1.032 432 S CB 1.421 64.841 63.200 0.367 0.000 1.064 432 S HN 0.170 nan 8.310 nan 0.000 0.508 433 S N 1.751 117.428 115.700 -0.037 0.000 2.601 433 S HA 0.384 4.854 4.470 0.001 0.000 0.244 433 S C -0.321 174.091 174.600 -0.314 0.000 1.001 433 S CA -0.423 57.664 58.200 -0.189 0.000 0.984 433 S CB -0.493 62.561 63.200 -0.244 0.000 0.842 433 S HN 0.771 nan 8.310 nan 0.000 0.474 434 H N 0.253 119.397 119.070 0.123 0.000 2.622 434 H HA 0.710 5.267 4.556 0.000 0.000 0.363 434 H C -1.322 174.070 175.328 0.106 0.000 1.151 434 H CA -0.912 55.173 56.048 0.062 0.000 1.184 434 H CB 1.810 31.600 29.762 0.046 0.000 1.643 434 H HN 0.182 nan 8.280 nan 0.000 0.531 435 L N 3.383 124.689 121.223 0.138 0.000 2.372 435 L HA 0.349 4.689 4.340 0.001 0.000 0.273 435 L C -1.761 175.244 176.870 0.225 0.000 0.989 435 L CA -0.483 54.478 54.840 0.203 0.000 0.841 435 L CB 0.194 42.282 42.059 0.048 0.000 1.225 435 L HN 0.533 nan 8.230 nan 0.000 0.414 436 Y N 3.934 124.439 120.300 0.342 0.000 2.334 436 Y HA 0.701 5.251 4.550 0.001 0.000 0.328 436 Y C -0.086 175.991 175.900 0.296 0.000 1.130 436 Y CA -0.734 57.559 58.100 0.321 0.000 1.163 436 Y CB 1.799 40.469 38.460 0.350 0.000 1.207 436 Y HN 0.266 nan 8.280 nan 0.000 0.471 437 V N 3.450 123.596 119.914 0.387 0.000 2.569 437 V HA 0.259 4.379 4.120 0.001 0.000 0.301 437 V C -0.742 175.471 176.094 0.198 0.000 1.044 437 V CA -1.084 61.385 62.300 0.281 0.000 0.874 437 V CB 1.605 33.581 31.823 0.254 0.000 1.002 437 V HN 0.837 nan 8.190 nan 0.000 0.424 438 D N 2.532 123.058 120.400 0.210 0.000 2.506 438 D HA 0.596 5.236 4.640 0.001 0.000 0.272 438 D C 0.355 176.694 176.300 0.065 0.000 1.214 438 D CA -0.271 53.817 54.000 0.146 0.000 1.067 438 D CB 1.252 42.184 40.800 0.219 0.000 1.117 438 D HN 0.568 nan 8.370 nan 0.000 0.578 439 T N -4.591 109.977 114.554 0.023 0.000 4.047 439 T HA 0.191 4.541 4.350 0.001 0.000 0.286 439 T C 0.791 175.466 174.700 -0.041 0.000 0.945 439 T CA -0.462 61.634 62.100 -0.007 0.000 1.079 439 T CB -0.681 68.168 68.868 -0.032 0.000 1.094 439 T HN 0.327 nan 8.240 nan 0.000 0.492 440 T N 1.391 115.905 114.554 -0.066 0.000 2.649 440 T HA -0.139 4.212 4.350 0.001 0.000 0.268 440 T C 0.743 175.183 174.700 -0.433 0.000 1.036 440 T CA 1.757 63.712 62.100 -0.241 0.000 1.157 440 T CB -0.441 68.254 68.868 -0.288 0.000 0.861 440 T HN 0.507 nan 8.240 nan 0.000 0.445 441 F N 1.222 121.169 119.950 -0.004 0.000 2.641 441 F HA 0.335 4.862 4.527 0.000 0.000 0.302 441 F C 1.090 176.866 175.800 -0.040 0.000 1.098 441 F CA -1.143 56.840 58.000 -0.029 0.000 1.318 441 F CB -0.356 38.624 39.000 -0.034 0.000 1.035 441 F HN 0.063 nan 8.300 nan 0.000 0.551 442 N N 3.294 122.029 118.700 0.059 0.000 2.492 442 N HA -0.006 4.734 4.740 0.001 0.000 0.262 442 N C -1.467 174.050 175.510 0.012 0.000 1.202 442 N CA -0.784 52.283 53.050 0.029 0.000 0.926 442 N CB 1.255 39.739 38.487 -0.005 0.000 1.078 442 N HN -0.009 nan 8.380 nan 0.000 0.454 443 P HA -0.059 nan 4.420 nan 0.000 0.230 443 P C -0.274 177.012 177.300 -0.023 0.000 1.158 443 P CA 0.729 63.825 63.100 -0.007 0.000 0.769 443 P CB 0.194 31.887 31.700 -0.011 0.000 0.807 444 D N -0.585 119.799 120.400 -0.026 0.000 2.249 444 D HA 0.386 5.026 4.640 0.001 0.000 0.246 444 D C 1.419 177.691 176.300 -0.047 0.000 1.114 444 D CA -0.345 53.634 54.000 -0.034 0.000 0.854 444 D CB 1.243 42.025 40.800 -0.030 0.000 1.132 444 D HN -0.138 nan 8.370 nan 0.000 0.461 445 A N 4.857 127.646 122.820 -0.052 0.000 1.873 445 A HA -0.247 4.073 4.320 0.001 0.000 0.218 445 A C 2.115 179.656 177.584 -0.072 0.000 1.193 445 A CA 1.628 53.627 52.037 -0.064 0.000 0.629 445 A CB -0.518 18.447 19.000 -0.059 0.000 0.826 445 A HN 0.748 nan 8.150 nan 0.000 0.447 446 R N -0.495 119.964 120.500 -0.068 0.000 2.091 446 R HA -0.116 4.224 4.340 0.001 0.000 0.238 446 R C 2.000 178.247 176.300 -0.089 0.000 1.136 446 R CA 1.887 57.938 56.100 -0.080 0.000 0.959 446 R CB -0.383 29.875 30.300 -0.069 0.000 0.856 446 R HN 0.605 nan 8.270 nan 0.000 0.437 447 I N 0.385 120.911 120.570 -0.073 0.000 2.286 447 I HA -0.224 3.946 4.170 0.001 0.000 0.245 447 I C 2.370 178.437 176.117 -0.083 0.000 1.104 447 I CA 1.382 62.637 61.300 -0.075 0.000 1.397 447 I CB -0.246 37.722 38.000 -0.053 0.000 1.072 447 I HN 0.295 nan 8.210 nan 0.000 0.417 448 S N 0.112 115.765 115.700 -0.079 0.000 2.474 448 S HA -0.167 4.303 4.470 0.001 0.000 0.235 448 S C 1.653 176.195 174.600 -0.098 0.000 0.997 448 S CA 0.751 58.897 58.200 -0.090 0.000 0.949 448 S CB -0.297 62.843 63.200 -0.101 0.000 0.766 448 S HN 0.524 nan 8.310 nan 0.000 0.517 449 Q N 1.277 121.014 119.800 -0.104 0.000 2.246 449 Q HA 0.286 4.627 4.340 0.001 0.000 0.202 449 Q C 0.122 176.027 176.000 -0.158 0.000 0.883 449 Q CA -0.017 55.717 55.803 -0.115 0.000 0.952 449 Q CB 0.610 29.281 28.738 -0.111 0.000 1.078 449 Q HN 0.753 nan 8.270 nan 0.000 0.493 450 S N -1.136 114.466 115.700 -0.163 0.000 2.685 450 S HA 0.765 5.235 4.470 0.001 0.000 0.282 450 S C -0.609 173.877 174.600 -0.189 0.000 1.159 450 S CA -0.897 57.169 58.200 -0.223 0.000 0.833 450 S CB 1.806 64.870 63.200 -0.227 0.000 1.151 450 S HN 0.059 nan 8.310 nan 0.000 0.485 451 V N -1.949 117.828 119.914 -0.229 0.000 2.876 451 V HA 0.990 5.111 4.120 0.001 0.000 0.312 451 V C -0.062 175.943 176.094 -0.148 0.000 1.085 451 V CA -0.854 61.364 62.300 -0.136 0.000 0.945 451 V CB 0.960 32.737 31.823 -0.077 0.000 1.017 451 V HN 1.527 nan 8.190 nan 0.000 0.428 452 A N 3.159 125.881 122.820 -0.164 0.000 2.304 452 A HA 0.871 5.191 4.320 0.001 0.000 0.301 452 A C -0.387 177.076 177.584 -0.201 0.000 1.132 452 A CA -0.593 51.256 52.037 -0.314 0.000 0.819 452 A CB 1.228 19.767 19.000 -0.767 0.000 1.094 452 A HN 1.579 nan 8.150 nan 0.000 0.492 453 V N 2.180 121.926 119.914 -0.279 0.000 2.525 453 V HA 0.470 4.590 4.120 0.001 0.000 0.299 453 V C -0.996 174.928 176.094 -0.282 0.000 1.034 453 V CA -0.318 61.794 62.300 -0.314 0.000 0.863 453 V CB 0.942 32.509 31.823 -0.428 0.000 0.999 453 V HN 0.740 nan 8.190 nan 0.000 0.423 454 F N 1.665 121.592 119.950 -0.040 0.000 2.440 454 F HA 0.569 5.096 4.527 0.001 0.000 0.328 454 F C 0.392 176.207 175.800 0.025 0.000 1.070 454 F CA -0.629 57.386 58.000 0.025 0.000 1.011 454 F CB 1.167 40.180 39.000 0.022 0.000 1.226 454 F HN 0.438 nan 8.300 nan 0.000 0.491 455 D N 1.632 122.161 120.400 0.214 0.000 2.373 455 D HA 0.264 4.905 4.640 0.001 0.000 0.227 455 D C 0.701 177.005 176.300 0.007 0.000 1.091 455 D CA -0.086 53.969 54.000 0.091 0.000 0.840 455 D CB 0.935 41.777 40.800 0.069 0.000 1.060 455 D HN 0.464 nan 8.370 nan 0.000 0.502 456 L N 3.036 124.201 121.223 -0.096 0.000 2.265 456 L HA -0.088 4.252 4.340 0.001 0.000 0.215 456 L C 1.900 178.702 176.870 -0.113 0.000 1.117 456 L CA 0.900 55.632 54.840 -0.179 0.000 0.782 456 L CB -0.094 41.806 42.059 -0.265 0.000 0.914 456 L HN 0.316 nan 8.230 nan 0.000 0.441 457 K N -0.492 119.859 120.400 -0.083 0.000 2.426 457 K HA 0.016 4.336 4.320 0.001 0.000 0.193 457 K C 0.297 176.873 176.600 -0.039 0.000 1.028 457 K CA 0.179 56.431 56.287 -0.059 0.000 1.047 457 K CB 0.129 32.598 32.500 -0.051 0.000 0.821 457 K HN 0.053 nan 8.250 nan 0.000 0.513 458 N N 0.720 119.407 118.700 -0.022 0.000 2.700 458 N HA 0.139 4.879 4.740 0.001 0.000 0.242 458 N C 0.041 175.574 175.510 0.038 0.000 1.541 458 N CA -0.059 52.993 53.050 0.004 0.000 0.764 458 N CB 0.274 38.769 38.487 0.012 0.000 1.319 458 N HN -0.055 nan 8.380 nan 0.000 0.518 459 L N -0.503 120.736 121.223 0.027 0.000 2.450 459 L HA -0.051 4.290 4.340 0.001 0.000 0.224 459 L C 0.913 177.855 176.870 0.120 0.000 1.149 459 L CA 0.818 55.706 54.840 0.080 0.000 0.816 459 L CB 0.091 42.183 42.059 0.055 0.000 0.932 459 L HN 0.271 nan 8.230 nan 0.000 0.449 460 D N 0.387 120.838 120.400 0.086 0.000 2.277 460 D HA 0.049 4.690 4.640 0.001 0.000 0.208 460 D C 1.108 177.457 176.300 0.080 0.000 0.962 460 D CA 0.460 54.510 54.000 0.084 0.000 0.865 460 D CB 0.199 41.032 40.800 0.056 0.000 0.939 460 D HN 0.247 nan 8.370 nan 0.000 0.510 461 A N 0.986 123.850 122.820 0.074 0.000 2.371 461 A HA 0.180 4.500 4.320 0.001 0.000 0.257 461 A C 0.575 178.189 177.584 0.049 0.000 1.089 461 A CA -0.313 51.748 52.037 0.040 0.000 0.794 461 A CB 0.621 19.634 19.000 0.021 0.000 1.029 461 A HN -0.047 nan 8.150 nan 0.000 0.488 462 K N 1.100 121.466 120.400 -0.057 0.000 2.295 462 K HA 0.264 4.584 4.320 0.001 0.000 0.270 462 K C -0.305 176.095 176.600 -0.333 0.000 1.011 462 K CA -0.253 55.913 56.287 -0.202 0.000 0.953 462 K CB 0.191 32.481 32.500 -0.350 0.000 0.956 462 K HN 0.672 nan 8.250 nan 0.000 0.477 463 Y N 0.520 120.598 120.300 -0.369 0.000 2.459 463 Y HA 0.053 4.603 4.550 0.001 0.000 0.349 463 Y C -0.231 175.456 175.900 -0.355 0.000 1.266 463 Y CA -0.470 57.236 58.100 -0.656 0.000 1.483 463 Y CB 0.218 37.928 38.460 -1.250 0.000 1.362 463 Y HN 0.424 nan 8.280 nan 0.000 0.628 464 Q N 1.215 120.948 119.800 -0.112 0.000 2.293 464 Q HA 0.532 4.873 4.340 0.001 0.000 0.261 464 Q C -1.309 174.682 176.000 -0.015 0.000 0.960 464 Q CA -1.101 54.653 55.803 -0.082 0.000 0.882 464 Q CB 2.455 31.137 28.738 -0.093 0.000 1.275 464 Q HN 0.637 nan 8.270 nan 0.000 0.445 465 V N 4.127 124.035 119.914 -0.010 0.000 2.408 465 V HA 0.130 4.250 4.120 0.001 0.000 0.267 465 V C -0.399 175.578 176.094 -0.194 0.000 1.047 465 V CA -0.415 61.846 62.300 -0.066 0.000 0.937 465 V CB 0.622 32.423 31.823 -0.035 0.000 0.999 465 V HN 0.543 nan 8.190 nan 0.000 0.472 466 L N 9.182 130.241 121.223 -0.274 0.000 2.257 466 L HA 0.442 4.783 4.340 0.001 0.000 0.290 466 L C -1.822 174.645 176.870 -0.671 0.000 1.044 466 L CA -1.958 52.589 54.840 -0.489 0.000 0.810 466 L CB 1.522 43.357 42.059 -0.374 0.000 1.193 466 L HN 0.432 nan 8.230 nan 0.000 0.425 467 P HA 0.076 nan 4.420 nan 0.000 0.237 467 P C 0.974 177.735 177.300 -0.898 0.000 1.788 467 P CA -0.210 62.408 63.100 -0.804 0.000 1.061 467 P CB 0.204 31.455 31.700 -0.749 0.000 1.967 468 I N 1.938 122.140 120.570 -0.615 0.000 2.099 468 I HA -0.247 3.924 4.170 0.001 0.000 0.239 468 I C 2.405 178.433 176.117 -0.148 0.000 1.066 468 I CA 1.773 62.863 61.300 -0.350 0.000 1.324 468 I CB -2.018 35.742 38.000 -0.401 0.000 1.037 468 I HN 0.168 nan 8.210 nan 0.000 0.401 469 A N 0.267 122.996 122.820 -0.152 0.000 1.933 469 A HA -0.250 4.070 4.320 0.001 0.000 0.218 469 A C 2.381 179.933 177.584 -0.052 0.000 1.175 469 A CA 1.862 53.855 52.037 -0.074 0.000 0.628 469 A CB -0.750 18.203 19.000 -0.078 0.000 0.814 469 A HN 0.571 nan 8.150 nan 0.000 0.444 470 E N -1.203 118.929 120.200 -0.113 0.000 2.051 470 E HA -0.234 4.116 4.350 0.001 0.000 0.192 470 E C 1.703 178.342 176.600 0.064 0.000 0.991 470 E CA 1.378 57.736 56.400 -0.070 0.000 0.799 470 E CB -0.239 29.367 29.700 -0.157 0.000 0.748 470 E HN 0.751 nan 8.360 nan 0.000 0.449 471 W N 0.413 121.666 121.300 -0.079 0.000 2.392 471 W HA -0.022 4.638 4.660 0.000 0.000 0.279 471 W C 2.339 178.813 176.519 -0.074 0.000 1.225 471 W CA 1.044 58.342 57.345 -0.079 0.000 1.233 471 W CB -0.889 28.512 29.460 -0.097 0.000 1.122 471 W HN 0.244 nan 8.180 nan 0.000 0.561 472 A N -0.177 122.734 122.820 0.151 0.000 2.015 472 A HA -0.148 4.172 4.320 0.001 0.000 0.219 472 A C 0.814 178.420 177.584 0.037 0.000 1.163 472 A CA 1.446 53.522 52.037 0.065 0.000 0.646 472 A CB -0.651 18.372 19.000 0.039 0.000 0.806 472 A HN 0.173 nan 8.150 nan 0.000 0.448 473 D N -1.948 118.477 120.400 0.041 0.000 2.828 473 D HA -0.135 4.506 4.640 0.001 0.000 0.241 473 D C 0.247 176.553 176.300 0.010 0.000 1.142 473 D CA 0.778 54.791 54.000 0.023 0.000 0.755 473 D CB -1.481 39.331 40.800 0.020 0.000 1.014 473 D HN 0.433 nan 8.370 nan 0.000 0.420 474 L N -0.238 120.989 121.223 0.006 0.000 2.609 474 L HA 0.446 4.786 4.340 0.001 0.000 0.230 474 L C 2.026 178.895 176.870 -0.001 0.000 1.087 474 L CA 0.344 55.186 54.840 0.003 0.000 0.874 474 L CB -0.020 42.042 42.059 0.005 0.000 1.114 474 L HN 0.554 nan 8.230 nan 0.000 0.488 475 G N 1.304 110.100 108.800 -0.005 0.000 2.513 475 G HA2 -0.211 3.750 3.960 0.001 0.000 0.227 475 G HA3 -0.211 3.750 3.960 0.001 0.000 0.227 475 G C -0.285 174.607 174.900 -0.014 0.000 1.176 475 G CA -0.029 45.066 45.100 -0.008 0.000 0.967 475 G HN 0.368 nan 8.290 nan 0.000 0.587 476 E N 0.676 120.867 120.200 -0.014 0.000 2.369 476 E HA 0.547 4.898 4.350 0.001 0.000 0.255 476 E C 0.479 177.065 176.600 -0.024 0.000 1.172 476 E CA -0.082 56.307 56.400 -0.019 0.000 0.932 476 E CB 1.336 31.026 29.700 -0.017 0.000 1.040 476 E HN 2.529 nan 8.360 nan 0.000 0.454 477 G N -0.516 108.264 108.800 -0.034 0.000 2.459 477 G HA2 0.102 4.062 3.960 0.001 0.000 0.685 477 G HA3 0.102 4.062 3.960 0.001 0.000 0.685 477 G C 0.324 175.186 174.900 -0.064 0.000 1.303 477 G CA -0.106 44.965 45.100 -0.047 0.000 0.907 477 G HN 0.767 nan 8.290 nan 0.000 0.632 478 A N 0.304 123.069 122.820 -0.091 0.000 1.908 478 A HA 0.203 4.523 4.320 0.001 0.000 0.218 478 A C 1.609 179.129 177.584 -0.108 0.000 1.181 478 A CA 2.479 54.448 52.037 -0.114 0.000 0.627 478 A CB -0.654 18.244 19.000 -0.169 0.000 0.818 478 A HN 1.833 nan 8.150 nan 0.000 0.445 479 K N -0.744 119.596 120.400 -0.101 0.000 3.257 479 K HA -0.170 4.150 4.320 0.001 0.000 0.270 479 K C -0.795 175.766 176.600 -0.066 0.000 0.984 479 K CA 0.586 56.837 56.287 -0.061 0.000 0.739 479 K CB -1.199 31.274 32.500 -0.046 0.000 1.351 479 K HN 0.638 nan 8.250 nan 0.000 0.463 480 R N 0.512 120.952 120.500 -0.100 0.000 2.401 480 R HA 0.209 4.549 4.340 0.001 0.000 0.299 480 R C 0.459 176.776 176.300 0.029 0.000 1.064 480 R CA -0.439 55.603 56.100 -0.096 0.000 1.000 480 R CB 0.806 30.968 30.300 -0.230 0.000 0.973 480 R HN -0.028 nan 8.270 nan 0.000 0.438 481 V N 4.072 123.993 119.914 0.010 0.000 2.686 481 V HA 0.427 4.547 4.120 0.001 0.000 0.295 481 V C 0.084 176.250 176.094 0.121 0.000 1.057 481 V CA -0.316 62.025 62.300 0.068 0.000 1.012 481 V CB 1.596 33.419 31.823 -0.001 0.000 1.006 481 V HN 0.543 nan 8.190 nan 0.000 0.477 482 V N 4.287 124.312 119.914 0.185 0.000 3.167 482 V HA 0.471 4.592 4.120 0.001 0.000 0.293 482 V C -0.646 175.553 176.094 0.175 0.000 1.379 482 V CA -0.442 61.993 62.300 0.224 0.000 1.019 482 V CB 1.909 33.865 31.823 0.222 0.000 1.115 482 V HN 1.077 nan 8.190 nan 0.000 0.442 483 Q N 3.777 123.727 119.800 0.250 0.000 2.708 483 Q HA -0.116 4.225 4.340 0.001 0.000 0.164 483 Q C -2.513 173.413 176.000 -0.123 0.000 1.433 483 Q CA 0.498 56.220 55.803 -0.136 0.000 0.598 483 Q CB -0.125 28.174 28.738 -0.732 0.000 0.727 483 Q HN 0.613 nan 8.270 nan 0.000 0.314 484 P HA 0.197 nan 4.420 nan 0.000 0.275 484 P C -0.924 176.155 177.300 -0.368 0.000 1.227 484 P CA 0.244 63.078 63.100 -0.443 0.000 0.781 484 P CB 1.127 32.694 31.700 -0.221 0.000 0.906 485 E N 1.751 121.686 120.200 -0.442 0.000 2.311 485 E HA 0.337 4.687 4.350 0.001 0.000 0.281 485 E C -1.505 175.039 176.600 -0.093 0.000 0.905 485 E CA -0.587 55.725 56.400 -0.147 0.000 0.778 485 E CB 0.583 30.204 29.700 -0.131 0.000 1.240 485 E HN 0.187 nan 8.360 nan 0.000 0.410 486 Y N 2.394 122.683 120.300 -0.018 0.000 2.281 486 Y HA 0.262 4.812 4.550 0.001 0.000 0.337 486 Y C 1.305 177.224 175.900 0.031 0.000 1.304 486 Y CA 0.029 58.144 58.100 0.024 0.000 1.465 486 Y CB 0.587 39.066 38.460 0.032 0.000 1.350 486 Y HN 0.660 nan 8.280 nan 0.000 0.575 487 N N 0.320 119.156 118.700 0.227 0.000 2.538 487 N HA 0.124 4.865 4.740 0.001 0.000 0.292 487 N C 0.729 176.258 175.510 0.032 0.000 1.262 487 N CA -0.570 52.559 53.050 0.132 0.000 0.976 487 N CB 0.563 39.210 38.487 0.266 0.000 1.161 487 N HN 0.616 nan 8.380 nan 0.000 0.598 488 K N 0.181 120.567 120.400 -0.023 0.000 2.034 488 K HA -0.170 4.151 4.320 0.001 0.000 0.214 488 K C 1.625 178.187 176.600 -0.062 0.000 1.051 488 K CA 1.769 58.021 56.287 -0.058 0.000 0.931 488 K CB -0.087 32.337 32.500 -0.126 0.000 0.715 488 K HN 0.677 nan 8.250 nan 0.000 0.446 489 R N -0.619 119.848 120.500 -0.055 0.000 2.297 489 R HA 0.107 4.447 4.340 0.001 0.000 0.197 489 R C 0.893 177.110 176.300 -0.138 0.000 0.943 489 R CA 0.624 56.693 56.100 -0.051 0.000 1.038 489 R CB -0.172 30.118 30.300 -0.017 0.000 0.957 489 R HN 0.288 nan 8.270 nan 0.000 0.484 490 G N 3.279 111.941 108.800 -0.231 0.000 2.371 490 G HA2 -0.256 3.705 3.960 0.001 0.000 0.299 490 G HA3 -0.256 3.705 3.960 0.001 0.000 0.299 490 G C -0.326 174.594 174.900 0.034 0.000 1.014 490 G CA 0.686 45.583 45.100 -0.338 0.000 1.097 490 G HN 0.712 nan 8.290 nan 0.000 0.512 491 D N -0.883 119.574 120.400 0.096 0.000 2.440 491 D HA 0.249 4.889 4.640 0.001 0.000 0.216 491 D C 0.605 176.982 176.300 0.128 0.000 1.150 491 D CA 0.420 54.496 54.000 0.127 0.000 0.832 491 D CB 0.165 41.017 40.800 0.087 0.000 0.992 491 D HN 0.870 nan 8.370 nan 0.000 0.502 492 E N -0.749 119.524 120.200 0.123 0.000 2.381 492 E HA 0.462 4.812 4.350 0.001 0.000 0.286 492 E C -1.626 174.956 176.600 -0.030 0.000 0.960 492 E CA -1.099 55.341 56.400 0.068 0.000 0.793 492 E CB 1.599 31.376 29.700 0.129 0.000 1.225 492 E HN -0.139 nan 8.360 nan 0.000 0.420 493 V N 1.788 121.563 119.914 -0.231 0.000 2.513 493 V HA 0.475 4.596 4.120 0.001 0.000 0.299 493 V C -0.913 174.979 176.094 -0.338 0.000 1.035 493 V CA -0.644 61.320 62.300 -0.560 0.000 0.889 493 V CB 0.595 31.719 31.823 -1.165 0.000 0.988 493 V HN 0.630 nan 8.190 nan 0.000 0.440 494 W N 3.549 124.405 121.300 -0.739 0.000 2.570 494 W HA 0.819 5.480 4.660 0.001 0.000 0.337 494 W C -0.691 175.304 176.519 -0.873 0.000 1.067 494 W CA -1.018 55.975 57.345 -0.587 0.000 1.229 494 W CB 1.010 30.178 29.460 -0.487 0.000 1.355 494 W HN 0.351 nan 8.180 nan 0.000 0.555 495 F N 0.634 120.589 119.950 0.008 0.000 2.599 495 F HA 0.552 5.080 4.527 0.001 0.000 0.311 495 F C 0.182 175.974 175.800 -0.013 0.000 1.076 495 F CA -1.223 56.767 58.000 -0.016 0.000 0.937 495 F CB 1.728 40.715 39.000 -0.023 0.000 1.282 495 F HN -0.050 nan 8.300 nan 0.000 0.460 496 S N 1.028 116.833 115.700 0.174 0.000 2.451 496 S HA 0.567 5.037 4.470 0.001 0.000 0.301 496 S C -0.707 173.973 174.600 0.133 0.000 1.116 496 S CA -0.693 57.567 58.200 0.101 0.000 1.093 496 S CB 1.590 64.799 63.200 0.016 0.000 1.017 496 S HN 0.346 nan 8.310 nan 0.000 0.482 497 V N 4.339 124.323 119.914 0.116 0.000 2.218 497 V HA 0.162 4.283 4.120 0.001 0.000 0.261 497 V C -0.541 175.660 176.094 0.178 0.000 1.142 497 V CA -0.681 61.688 62.300 0.115 0.000 0.965 497 V CB -0.315 31.547 31.823 0.065 0.000 1.190 497 V HN 0.921 nan 8.190 nan 0.000 0.478 498 W N 5.548 126.835 121.300 -0.021 0.000 2.429 498 W HA 0.257 4.917 4.660 0.001 0.000 0.431 498 W C 0.169 176.673 176.519 -0.024 0.000 1.038 498 W CA -0.575 56.756 57.345 -0.022 0.000 1.635 498 W CB -0.503 28.934 29.460 -0.038 0.000 1.721 498 W HN 0.440 nan 8.180 nan 0.000 0.366 499 N N 2.135 120.944 118.700 0.182 0.000 2.477 499 N HA 0.535 5.275 4.740 0.001 0.000 0.284 499 N C 0.441 175.974 175.510 0.039 0.000 1.182 499 N CA -0.108 52.957 53.050 0.025 0.000 0.949 499 N CB 1.140 39.647 38.487 0.034 0.000 1.204 499 N HN 0.363 nan 8.380 nan 0.000 0.526 500 G N 0.426 109.212 108.800 -0.023 0.000 2.647 500 G HA2 -0.077 3.883 3.960 0.001 0.000 0.234 500 G HA3 -0.077 3.883 3.960 0.001 0.000 0.234 500 G C 0.902 175.840 174.900 0.064 0.000 1.252 500 G CA -0.043 45.059 45.100 0.003 0.000 0.846 500 G HN 0.754 nan 8.290 nan 0.000 0.589 501 K N 0.147 120.596 120.400 0.082 0.000 2.147 501 K HA -0.102 4.219 4.320 0.001 0.000 0.205 501 K C 1.676 178.316 176.600 0.068 0.000 1.049 501 K CA 1.807 58.151 56.287 0.095 0.000 0.936 501 K CB -0.105 32.458 32.500 0.106 0.000 0.722 501 K HN 0.597 nan 8.250 nan 0.000 0.446 502 N N 0.423 119.153 118.700 0.050 0.000 2.230 502 N HA 0.033 4.774 4.740 0.001 0.000 0.202 502 N C -0.655 174.872 175.510 0.028 0.000 1.119 502 N CA -0.257 52.815 53.050 0.037 0.000 0.851 502 N CB 0.523 39.028 38.487 0.030 0.000 0.990 502 N HN 0.147 nan 8.380 nan 0.000 0.497 503 D N -0.541 119.876 120.400 0.030 0.000 2.595 503 D HA 0.201 4.841 4.640 0.001 0.000 0.268 503 D C -0.375 175.943 176.300 0.029 0.000 1.181 503 D CA -0.238 53.774 54.000 0.021 0.000 1.085 503 D CB 0.915 41.721 40.800 0.010 0.000 1.186 503 D HN -0.209 nan 8.370 nan 0.000 0.621 504 S N -0.596 115.118 115.700 0.024 0.000 2.478 504 S HA 0.537 5.008 4.470 0.001 0.000 0.312 504 S C -0.650 173.971 174.600 0.035 0.000 1.094 504 S CA -0.408 57.809 58.200 0.027 0.000 1.081 504 S CB 0.544 63.755 63.200 0.017 0.000 1.007 504 S HN 0.311 nan 8.310 nan 0.000 0.475 505 S N 2.329 118.057 115.700 0.046 0.000 2.766 505 S HA 1.032 5.502 4.470 0.001 0.000 0.307 505 S C -0.554 174.070 174.600 0.040 0.000 1.121 505 S CA -0.485 57.751 58.200 0.059 0.000 0.980 505 S CB 1.638 64.893 63.200 0.092 0.000 1.159 505 S HN 1.197 nan 8.310 nan 0.000 0.546 506 A N 0.424 123.269 122.820 0.041 0.000 2.567 506 A HA 0.640 4.960 4.320 0.001 0.000 0.291 506 A C -2.237 175.358 177.584 0.018 0.000 1.048 506 A CA -0.735 51.312 52.037 0.017 0.000 0.661 506 A CB 0.572 19.573 19.000 0.003 0.000 1.288 506 A HN 0.608 nan 8.150 nan 0.000 0.424 507 L N 1.103 122.314 121.223 -0.020 0.000 2.305 507 L HA 0.621 4.961 4.340 0.001 0.000 0.284 507 L C -0.859 175.938 176.870 -0.122 0.000 1.013 507 L CA -1.001 53.814 54.840 -0.041 0.000 0.819 507 L CB 1.612 43.641 42.059 -0.051 0.000 1.227 507 L HN 0.446 nan 8.230 nan 0.000 0.417 508 V N 4.303 124.189 119.914 -0.047 0.000 2.417 508 V HA 0.408 4.528 4.120 0.001 0.000 0.291 508 V C 0.029 176.060 176.094 -0.104 0.000 1.024 508 V CA -0.605 61.664 62.300 -0.052 0.000 0.861 508 V CB 2.276 34.154 31.823 0.092 0.000 0.985 508 V HN 0.425 nan 8.190 nan 0.000 0.436 509 V N 5.789 125.507 119.914 -0.327 0.000 2.417 509 V HA 0.532 4.653 4.120 0.001 0.000 0.291 509 V C -0.157 175.820 176.094 -0.195 0.000 1.024 509 V CA -0.569 61.450 62.300 -0.469 0.000 0.861 509 V CB 1.827 33.130 31.823 -0.867 0.000 0.985 509 V HN 0.592 nan 8.190 nan 0.000 0.436 510 V N 2.998 122.887 119.914 -0.041 0.000 2.513 510 V HA 0.374 4.495 4.120 0.001 0.000 0.299 510 V C -0.107 175.989 176.094 0.004 0.000 1.035 510 V CA -0.688 61.632 62.300 0.033 0.000 0.889 510 V CB 2.060 34.045 31.823 0.271 0.000 0.988 510 V HN 0.895 nan 8.190 nan 0.000 0.440 511 D N 2.806 123.200 120.400 -0.011 0.000 2.342 511 D HA 0.004 4.644 4.640 0.001 0.000 0.260 511 D C 0.821 177.177 176.300 0.094 0.000 1.278 511 D CA 0.161 54.174 54.000 0.022 0.000 0.910 511 D CB 1.298 42.094 40.800 -0.007 0.000 1.079 511 D HN 0.728 nan 8.370 nan 0.000 0.496 512 D N 3.216 123.699 120.400 0.139 0.000 2.218 512 D HA -0.188 4.453 4.640 0.001 0.000 0.204 512 D C 1.600 178.094 176.300 0.323 0.000 0.976 512 D CA 1.016 55.176 54.000 0.266 0.000 0.853 512 D CB 0.310 41.309 40.800 0.332 0.000 0.939 512 D HN 0.253 nan 8.370 nan 0.000 0.481 513 K N -0.470 120.064 120.400 0.223 0.000 2.155 513 K HA -0.056 4.265 4.320 0.001 0.000 0.203 513 K C 1.587 178.301 176.600 0.189 0.000 1.052 513 K CA 1.673 58.085 56.287 0.208 0.000 0.948 513 K CB -0.152 32.426 32.500 0.129 0.000 0.728 513 K HN 0.384 nan 8.250 nan 0.000 0.448 514 T N -2.375 112.255 114.554 0.127 0.000 2.985 514 T HA 0.222 4.572 4.350 0.001 0.000 0.254 514 T C 1.039 175.778 174.700 0.064 0.000 1.021 514 T CA -0.052 62.100 62.100 0.086 0.000 0.957 514 T CB 0.045 68.937 68.868 0.041 0.000 1.047 514 T HN 0.257 nan 8.240 nan 0.000 0.511 515 L N -0.281 120.975 121.223 0.055 0.000 4.291 515 L HA -0.172 4.168 4.340 0.001 0.000 0.413 515 L C -0.185 176.755 176.870 0.116 0.000 1.162 515 L CA 0.585 55.457 54.840 0.054 0.000 0.961 515 L CB -1.642 40.405 42.059 -0.021 0.000 2.095 515 L HN 0.372 nan 8.230 nan 0.000 0.838 516 K N 0.450 120.861 120.400 0.019 0.000 2.156 516 K HA 0.557 4.877 4.320 0.001 0.000 0.254 516 K C -0.153 176.245 176.600 -0.337 0.000 0.950 516 K CA -1.140 55.069 56.287 -0.130 0.000 0.849 516 K CB 2.314 34.744 32.500 -0.117 0.000 1.100 516 K HN -0.012 nan 8.250 nan 0.000 0.434 517 L N 2.892 123.620 121.223 -0.823 0.000 2.559 517 L HA -0.057 4.283 4.340 0.001 0.000 0.274 517 L C 0.907 177.506 176.870 -0.452 0.000 1.205 517 L CA 1.258 55.569 54.840 -0.881 0.000 0.907 517 L CB 0.292 41.534 42.059 -1.363 0.000 1.153 517 L HN 0.729 nan 8.230 nan 0.000 0.490 518 K N 3.476 123.681 120.400 -0.325 0.000 2.387 518 K HA 0.540 4.860 4.320 0.001 0.000 0.197 518 K C -0.234 176.223 176.600 -0.238 0.000 1.127 518 K CA 0.479 56.624 56.287 -0.236 0.000 0.950 518 K CB 0.563 32.956 32.500 -0.178 0.000 1.017 518 K HN 0.774 nan 8.250 nan 0.000 0.519 519 A N 0.174 122.827 122.820 -0.277 0.000 2.583 519 A HA 0.514 4.834 4.320 0.001 0.000 0.292 519 A C -1.815 175.607 177.584 -0.271 0.000 1.045 519 A CA -0.685 51.194 52.037 -0.264 0.000 0.672 519 A CB 1.748 20.578 19.000 -0.283 0.000 1.283 519 A HN -0.092 nan 8.150 nan 0.000 0.419 520 V N 1.193 120.980 119.914 -0.212 0.000 2.525 520 V HA 0.473 4.593 4.120 0.001 0.000 0.299 520 V C -0.481 175.520 176.094 -0.154 0.000 1.034 520 V CA -0.628 61.571 62.300 -0.169 0.000 0.863 520 V CB 1.620 33.382 31.823 -0.101 0.000 0.999 520 V HN 0.789 nan 8.190 nan 0.000 0.423 521 V N 5.633 125.446 119.914 -0.168 0.000 2.385 521 V HA 0.443 4.564 4.120 0.001 0.000 0.269 521 V C 0.151 176.211 176.094 -0.057 0.000 1.043 521 V CA -0.425 61.804 62.300 -0.118 0.000 0.906 521 V CB 0.849 32.593 31.823 -0.133 0.000 0.995 521 V HN 0.807 nan 8.190 nan 0.000 0.467 522 K N 3.682 124.059 120.400 -0.037 0.000 2.371 522 K HA 0.670 4.991 4.320 0.001 0.000 0.251 522 K C -1.324 175.274 176.600 -0.003 0.000 0.934 522 K CA -0.817 55.461 56.287 -0.015 0.000 0.798 522 K CB 2.556 35.047 32.500 -0.015 0.000 1.204 522 K HN 0.684 nan 8.250 nan 0.000 0.427 523 D N 2.216 122.621 120.400 0.008 0.000 2.787 523 D HA 0.078 4.718 4.640 0.001 0.000 0.215 523 D C -2.163 174.150 176.300 0.021 0.000 1.246 523 D CA -1.229 52.780 54.000 0.015 0.000 0.798 523 D CB 2.089 42.902 40.800 0.020 0.000 1.649 523 D HN 0.198 nan 8.370 nan 0.000 0.507 524 P HA -0.065 nan 4.420 nan 0.000 0.223 524 P C 0.895 178.214 177.300 0.031 0.000 1.144 524 P CA 0.640 63.755 63.100 0.025 0.000 0.783 524 P CB 0.460 32.173 31.700 0.022 0.000 0.771 525 R N -0.912 119.607 120.500 0.032 0.000 2.275 525 R HA 0.116 4.456 4.340 0.001 0.000 0.199 525 R C 1.013 177.337 176.300 0.039 0.000 0.989 525 R CA -0.183 55.939 56.100 0.036 0.000 1.016 525 R CB -0.426 29.896 30.300 0.036 0.000 0.918 525 R HN 0.116 nan 8.270 nan 0.000 0.473 526 L N 2.302 123.547 121.223 0.038 0.000 2.376 526 L HA 0.193 4.533 4.340 0.001 0.000 0.250 526 L C -0.590 176.309 176.870 0.048 0.000 1.335 526 L CA 0.442 55.306 54.840 0.039 0.000 1.214 526 L CB -0.144 41.936 42.059 0.035 0.000 1.395 526 L HN 0.014 nan 8.230 nan 0.000 0.424 527 I N 3.273 123.874 120.570 0.051 0.000 2.331 527 I HA 0.163 4.334 4.170 0.001 0.000 0.292 527 I C 0.782 176.946 176.117 0.077 0.000 0.998 527 I CA -0.431 60.910 61.300 0.069 0.000 1.267 527 I CB 1.022 39.064 38.000 0.070 0.000 1.386 527 I HN 0.661 nan 8.210 nan 0.000 0.476 528 T N 3.841 118.474 114.554 0.131 0.000 3.549 528 T HA -0.100 4.251 4.350 0.001 0.000 0.398 528 T C -2.187 172.527 174.700 0.022 0.000 0.766 528 T CA -0.730 61.494 62.100 0.206 0.000 2.007 528 T CB -1.975 67.044 68.868 0.252 0.000 1.727 528 T HN 0.436 nan 8.240 nan 0.000 0.693 529 P HA 0.214 nan 4.420 nan 0.000 0.271 529 P C 0.987 178.143 177.300 -0.240 0.000 1.226 529 P CA 0.116 63.168 63.100 -0.080 0.000 0.765 529 P CB 1.496 33.193 31.700 -0.005 0.000 0.835 530 T N 1.047 115.397 114.554 -0.339 0.000 2.995 530 T HA 0.344 4.695 4.350 0.001 0.000 0.170 530 T C 1.039 175.543 174.700 -0.328 0.000 0.844 530 T CA 0.118 61.924 62.100 -0.491 0.000 1.137 530 T CB -0.837 67.581 68.868 -0.751 0.000 2.193 530 T HN 0.344 nan 8.240 nan 0.000 0.384 531 G N 1.880 110.499 108.800 -0.301 0.000 2.442 531 G HA2 0.520 4.480 3.960 0.001 0.000 0.249 531 G HA3 0.520 4.480 3.960 0.001 0.000 0.249 531 G C -1.034 173.649 174.900 -0.362 0.000 1.263 531 G CA -0.515 44.372 45.100 -0.354 0.000 0.846 531 G HN 0.624 nan 8.290 nan 0.000 0.555 532 K N 0.735 120.722 120.400 -0.688 0.000 2.443 532 K HA 0.439 4.760 4.320 0.001 0.000 0.252 532 K C -1.658 174.495 176.600 -0.744 0.000 0.933 532 K CA -0.479 55.567 56.287 -0.402 0.000 0.792 532 K CB 2.375 34.774 32.500 -0.168 0.000 1.185 532 K HN 0.372 nan 8.250 nan 0.000 0.425 533 F N 1.645 121.586 119.950 -0.014 0.000 2.577 533 F HA 0.240 4.767 4.527 0.001 0.000 0.344 533 F C 0.359 176.014 175.800 -0.242 0.000 1.145 533 F CA -0.956 56.989 58.000 -0.093 0.000 0.996 533 F CB 1.281 40.236 39.000 -0.074 0.000 1.248 533 F HN 0.463 nan 8.300 nan 0.000 0.447 534 N N 2.322 120.807 118.700 -0.359 0.000 2.454 534 N HA 0.025 4.765 4.740 0.001 0.000 0.260 534 N C 1.078 176.432 175.510 -0.259 0.000 1.218 534 N CA 0.091 52.672 53.050 -0.781 0.000 0.904 534 N CB 1.379 39.337 38.487 -0.881 0.000 1.065 534 N HN 0.463 nan 8.380 nan 0.000 0.462 535 V N 4.832 124.618 119.914 -0.214 0.000 2.252 535 V HA -0.282 3.838 4.120 0.001 0.000 0.249 535 V C 1.798 177.919 176.094 0.045 0.000 1.056 535 V CA 1.778 64.052 62.300 -0.043 0.000 1.022 535 V CB -1.066 30.750 31.823 -0.011 0.000 0.641 535 V HN 0.747 nan 8.190 nan 0.000 0.445 536 Y N 1.705 121.996 120.300 -0.015 0.000 2.114 536 Y HA -0.242 4.308 4.550 0.001 0.000 0.284 536 Y C 2.570 178.578 175.900 0.180 0.000 1.143 536 Y CA 2.201 60.378 58.100 0.128 0.000 1.135 536 Y CB -0.322 38.188 38.460 0.084 0.000 0.980 536 Y HN 0.302 nan 8.280 nan 0.000 0.499 537 N N -0.777 118.080 118.700 0.263 0.000 2.223 537 N HA -0.141 4.599 4.740 0.001 0.000 0.185 537 N C 1.670 177.294 175.510 0.191 0.000 1.016 537 N CA 1.825 55.017 53.050 0.237 0.000 0.863 537 N CB -0.664 37.966 38.487 0.239 0.000 0.983 537 N HN 0.399 nan 8.380 nan 0.000 0.429 538 T N 0.573 115.208 114.554 0.135 0.000 2.809 538 T HA -0.107 4.243 4.350 0.001 0.000 0.260 538 T C 1.847 176.584 174.700 0.062 0.000 1.039 538 T CA 0.817 63.005 62.100 0.145 0.000 1.141 538 T CB -0.138 68.801 68.868 0.118 0.000 0.869 538 T HN 0.305 nan 8.240 nan 0.000 0.437 539 Q N 0.364 120.134 119.800 -0.051 0.000 2.096 539 Q HA -0.179 4.162 4.340 0.001 0.000 0.204 539 Q C 1.363 177.172 176.000 -0.320 0.000 0.982 539 Q CA 1.421 57.096 55.803 -0.214 0.000 0.850 539 Q CB -0.055 28.475 28.738 -0.346 0.000 0.901 539 Q HN 0.620 nan 8.270 nan 0.000 0.422 540 H N 0.186 119.180 119.070 -0.127 0.000 2.517 540 H HA 0.112 4.668 4.556 0.001 0.000 0.282 540 H C -0.594 174.766 175.328 0.054 0.000 1.023 540 H CA 0.384 56.370 56.048 -0.102 0.000 1.169 540 H CB 0.193 29.727 29.762 -0.380 0.000 1.454 540 H HN 0.398 nan 8.280 nan 0.000 0.556 541 D N 0.751 121.253 120.400 0.169 0.000 2.802 541 D HA -0.153 4.487 4.640 0.001 0.000 0.229 541 D C -0.583 175.646 176.300 -0.118 0.000 1.203 541 D CA 0.221 54.298 54.000 0.129 0.000 0.712 541 D CB -0.861 39.968 40.800 0.049 0.000 0.973 541 D HN 0.103 nan 8.370 nan 0.000 0.407 542 V N 1.917 121.859 119.914 0.046 0.000 2.284 542 V HA 0.452 4.573 4.120 0.001 0.000 0.260 542 V C 0.002 176.147 176.094 0.085 0.000 1.084 542 V CA -0.096 62.201 62.300 -0.004 0.000 0.894 542 V CB -0.773 31.106 31.823 0.094 0.000 1.119 542 V HN 0.378 nan 8.190 nan 0.000 0.484 543 Y N 0.000 120.403 120.300 0.171 0.000 2.660 543 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 543 Y CA 0.000 58.203 58.100 0.171 0.000 1.940 543 Y CB 0.000 38.591 38.460 0.219 0.000 1.050 543 Y HN 0.000 nan 8.280 nan 0.000 0.758