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 1nno_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 0.000 176.614 176.600 0.023 0.000 0.988 5 K CA 0.000 56.296 56.287 0.015 0.000 0.838 5 K CB 0.000 32.507 32.500 0.011 0.000 1.064 6 A N 1.405 124.232 122.820 0.012 0.000 1.897 6 A HA 0.072 4.391 4.320 -0.001 0.000 0.215 6 A C 2.247 179.861 177.584 0.049 0.000 1.181 6 A CA 1.847 53.892 52.037 0.012 0.000 0.620 6 A CB -0.427 18.556 19.000 -0.029 0.000 0.821 6 A HN 0.275 nan 8.150 nan 0.000 0.443 7 A N -0.193 122.647 122.820 0.034 0.000 2.067 7 A HA -0.120 4.199 4.320 -0.001 0.000 0.219 7 A C 1.855 179.554 177.584 0.192 0.000 1.158 7 A CA 1.514 53.620 52.037 0.116 0.000 0.661 7 A CB -0.406 18.628 19.000 0.055 0.000 0.801 7 A HN 0.668 nan 8.150 nan 0.000 0.452 8 E N -0.647 119.616 120.200 0.104 0.000 2.051 8 E HA -0.143 4.206 4.350 -0.001 0.000 0.189 8 E C 1.999 178.642 176.600 0.072 0.000 0.979 8 E CA 0.983 57.428 56.400 0.074 0.000 0.803 8 E CB -0.141 29.584 29.700 0.042 0.000 0.761 8 E HN 0.504 nan 8.360 nan 0.000 0.451 9 Q N -0.079 119.769 119.800 0.079 0.000 2.311 9 Q HA -0.124 4.216 4.340 -0.001 0.000 0.203 9 Q C 1.853 177.909 176.000 0.093 0.000 0.954 9 Q CA 0.806 56.648 55.803 0.065 0.000 0.885 9 Q CB -0.372 28.398 28.738 0.053 0.000 0.963 9 Q HN 0.424 nan 8.270 nan 0.000 0.471 10 Y N 1.657 121.953 120.300 -0.006 0.000 2.274 10 Y HA -0.134 4.415 4.550 -0.000 0.000 0.290 10 Y C 0.945 176.841 175.900 -0.007 0.000 1.145 10 Y CA 1.429 59.525 58.100 -0.007 0.000 1.203 10 Y CB 0.288 38.744 38.460 -0.007 0.000 0.984 10 Y HN 0.080 nan 8.280 nan 0.000 0.533 11 Q N -0.518 119.209 119.800 -0.121 0.000 2.182 11 Q HA 0.250 4.590 4.340 -0.001 0.000 0.270 11 Q C 1.310 177.253 176.000 -0.095 0.000 0.861 11 Q CA 0.298 55.974 55.803 -0.213 0.000 1.098 11 Q CB 0.829 29.466 28.738 -0.167 0.000 1.188 11 Q HN 0.554 nan 8.270 nan 0.000 0.464 12 G N 0.324 109.087 108.800 -0.062 0.000 2.683 12 G HA2 0.193 4.153 3.960 -0.001 0.000 0.213 12 G HA3 0.193 4.153 3.960 -0.001 0.000 0.213 12 G C 0.687 175.563 174.900 -0.040 0.000 1.142 12 G CA 0.312 45.391 45.100 -0.034 0.000 0.793 12 G HN 0.393 nan 8.290 nan 0.000 0.534 13 A N 0.321 123.107 122.820 -0.057 0.000 2.406 13 A HA 0.676 4.996 4.320 -0.001 0.000 0.243 13 A C 0.806 178.361 177.584 -0.048 0.000 1.082 13 A CA 0.352 52.359 52.037 -0.049 0.000 0.786 13 A CB 0.254 19.219 19.000 -0.058 0.000 1.029 13 A HN 0.901 nan 8.150 nan 0.000 0.495 14 A N 0.954 123.752 122.820 -0.037 0.000 2.304 14 A HA 0.544 4.863 4.320 -0.001 0.000 0.271 14 A C 0.835 178.397 177.584 -0.036 0.000 1.091 14 A CA 0.366 52.384 52.037 -0.032 0.000 0.812 14 A CB 0.053 19.040 19.000 -0.022 0.000 1.056 14 A HN 1.507 nan 8.150 nan 0.000 0.489 15 S N 0.239 115.919 115.700 -0.032 0.000 2.572 15 S HA 0.341 4.810 4.470 -0.001 0.000 0.279 15 S C 1.268 175.851 174.600 -0.028 0.000 1.341 15 S CA -0.005 58.175 58.200 -0.033 0.000 1.043 15 S CB 0.699 63.882 63.200 -0.028 0.000 0.887 15 S HN 1.478 nan 8.310 nan 0.000 0.516 16 A N 4.547 127.347 122.820 -0.032 0.000 2.168 16 A HA 0.199 4.519 4.320 -0.001 0.000 0.215 16 A C 0.775 178.342 177.584 -0.028 0.000 1.152 16 A CA 0.228 52.246 52.037 -0.031 0.000 0.716 16 A CB -0.426 18.552 19.000 -0.036 0.000 0.794 16 A HN 0.690 nan 8.150 nan 0.000 0.465 17 V N 1.833 121.733 119.914 -0.024 0.000 2.585 17 V HA 0.031 4.150 4.120 -0.001 0.000 0.296 17 V C 0.124 176.223 176.094 0.008 0.000 1.035 17 V CA -0.235 62.057 62.300 -0.014 0.000 1.084 17 V CB 0.923 32.739 31.823 -0.011 0.000 0.953 17 V HN 0.414 nan 8.190 nan 0.000 0.483 18 D N 6.631 127.050 120.400 0.031 0.000 2.316 18 D HA 0.235 4.874 4.640 -0.001 0.000 0.245 18 D C -1.504 174.859 176.300 0.105 0.000 1.171 18 D CA -2.029 52.027 54.000 0.094 0.000 0.856 18 D CB 1.949 42.873 40.800 0.207 0.000 1.090 18 D HN 0.223 nan 8.370 nan 0.000 0.476 19 P HA -0.154 nan 4.420 nan 0.000 0.216 19 P C 0.875 178.185 177.300 0.016 0.000 1.150 19 P CA 1.425 64.541 63.100 0.028 0.000 0.843 19 P CB 0.249 31.955 31.700 0.011 0.000 0.787 20 A N -1.395 121.430 122.820 0.008 0.000 2.067 20 A HA -0.180 4.139 4.320 -0.001 0.000 0.219 20 A C 1.527 178.996 177.584 -0.193 0.000 1.158 20 A CA 1.428 53.407 52.037 -0.098 0.000 0.661 20 A CB -1.454 17.456 19.000 -0.151 0.000 0.801 20 A HN 0.289 nan 8.150 nan 0.000 0.452 21 H N -1.590 117.472 119.070 -0.013 0.000 2.539 21 H HA 0.284 4.839 4.556 -0.001 0.000 0.269 21 H C -0.286 175.033 175.328 -0.014 0.000 0.980 21 H CA 0.199 56.239 56.048 -0.013 0.000 1.152 21 H CB 0.358 30.113 29.762 -0.013 0.000 1.407 21 H HN 0.206 nan 8.280 nan 0.000 0.564 22 V N 2.702 122.654 119.914 0.064 0.000 2.364 22 V HA 0.204 4.324 4.120 -0.001 0.000 0.272 22 V C 0.123 176.220 176.094 0.004 0.000 1.036 22 V CA -0.840 61.478 62.300 0.031 0.000 0.880 22 V CB 1.029 32.864 31.823 0.021 0.000 0.991 22 V HN 0.091 nan 8.190 nan 0.000 0.460 23 V N 2.604 122.519 119.914 0.002 0.000 2.581 23 V HA 0.652 4.772 4.120 -0.001 0.000 0.303 23 V C -0.044 176.043 176.094 -0.012 0.000 1.041 23 V CA -1.130 61.162 62.300 -0.012 0.000 0.907 23 V CB 1.627 33.441 31.823 -0.015 0.000 0.994 23 V HN 0.864 nan 8.190 nan 0.000 0.442 24 R N 2.018 122.507 120.500 -0.018 0.000 2.357 24 R HA 0.497 4.837 4.340 -0.001 0.000 0.296 24 R C -0.508 175.778 176.300 -0.023 0.000 1.052 24 R CA -0.185 55.905 56.100 -0.018 0.000 0.988 24 R CB 1.071 31.359 30.300 -0.020 0.000 1.025 24 R HN 0.941 nan 8.270 nan 0.000 0.469 25 T N 4.485 119.026 114.554 -0.022 0.000 2.749 25 T HA 0.406 4.755 4.350 -0.001 0.000 0.287 25 T C -0.668 174.008 174.700 -0.040 0.000 0.970 25 T CA -0.604 61.477 62.100 -0.031 0.000 0.980 25 T CB 0.559 69.413 68.868 -0.023 0.000 0.924 25 T HN 0.606 nan 8.240 nan 0.000 0.456 26 N N 0.633 119.295 118.700 -0.063 0.000 5.297 26 N HA 0.356 5.095 4.740 -0.001 0.000 0.192 26 N C -0.067 175.388 175.510 -0.093 0.000 1.119 26 N CA 0.417 53.414 53.050 -0.088 0.000 0.829 26 N CB 0.984 39.439 38.487 -0.054 0.000 1.577 26 N HN 0.868 nan 8.380 nan 0.000 0.541 27 G N -0.828 107.899 108.800 -0.122 0.000 2.215 27 G HA2 0.357 4.317 3.960 -0.001 0.000 0.187 27 G HA3 0.357 4.317 3.960 -0.001 0.000 0.187 27 G C -0.205 174.615 174.900 -0.132 0.000 1.039 27 G CA 0.230 45.272 45.100 -0.097 0.000 0.771 27 G HN 0.829 nan 8.290 nan 0.000 0.507 28 A N 0.655 123.330 122.820 -0.242 0.000 2.302 28 A HA 0.832 5.152 4.320 -0.001 0.000 0.285 28 A C -1.881 175.589 177.584 -0.190 0.000 1.105 28 A CA -1.278 50.542 52.037 -0.361 0.000 0.816 28 A CB 0.282 18.683 19.000 -0.999 0.000 1.067 28 A HN 0.115 nan 8.150 nan 0.000 0.489 29 P HA 0.102 nan 4.420 nan 0.000 0.263 29 P C -0.750 176.675 177.300 0.208 0.000 1.195 29 P CA -0.029 63.115 63.100 0.074 0.000 0.762 29 P CB 0.232 31.982 31.700 0.083 0.000 0.799 30 D N 3.432 123.918 120.400 0.143 0.000 2.525 30 D HA 0.134 4.774 4.640 -0.001 0.000 0.235 30 D C 0.517 176.908 176.300 0.152 0.000 1.137 30 D CA 1.054 55.146 54.000 0.154 0.000 0.868 30 D CB 0.067 40.917 40.800 0.083 0.000 1.180 30 D HN 0.347 nan 8.370 nan 0.000 0.465 31 M N -0.663 119.019 119.600 0.137 0.000 2.274 31 M HA 0.306 4.785 4.480 -0.001 0.000 0.272 31 M C -0.352 175.986 176.300 0.062 0.000 1.053 31 M CA -0.992 54.366 55.300 0.097 0.000 0.978 31 M CB 1.688 34.358 32.600 0.117 0.000 1.836 31 M HN 0.180 nan 8.290 nan 0.000 0.484 32 S N 0.660 116.389 115.700 0.049 0.000 2.580 32 S HA 0.062 4.532 4.470 -0.001 0.000 0.261 32 S C 0.834 175.461 174.600 0.045 0.000 1.366 32 S CA 0.488 58.706 58.200 0.030 0.000 0.996 32 S CB 1.162 64.377 63.200 0.024 0.000 0.902 32 S HN 0.968 nan 8.310 nan 0.000 0.566 33 E N 0.663 120.874 120.200 0.018 0.000 2.070 33 E HA -0.202 4.147 4.350 -0.001 0.000 0.197 33 E C 2.107 178.750 176.600 0.072 0.000 1.004 33 E CA 1.470 57.887 56.400 0.027 0.000 0.805 33 E CB -0.418 29.282 29.700 -0.001 0.000 0.744 33 E HN 0.702 nan 8.360 nan 0.000 0.451 34 S N -0.091 115.634 115.700 0.042 0.000 2.356 34 S HA -0.207 4.262 4.470 -0.001 0.000 0.223 34 S C 1.753 176.369 174.600 0.027 0.000 1.032 34 S CA 1.638 59.855 58.200 0.030 0.000 1.005 34 S CB -0.227 62.982 63.200 0.014 0.000 0.867 34 S HN 0.335 nan 8.310 nan 0.000 0.449 35 E N -0.519 119.703 120.200 0.036 0.000 2.077 35 E HA -0.127 4.222 4.350 -0.001 0.000 0.193 35 E C 1.805 178.406 176.600 0.003 0.000 0.989 35 E CA 1.292 57.701 56.400 0.016 0.000 0.800 35 E CB -0.284 29.436 29.700 0.033 0.000 0.746 35 E HN 0.644 nan 8.360 nan 0.000 0.452 36 F N 2.280 122.178 119.950 -0.086 0.000 2.134 36 F HA -0.152 4.374 4.527 -0.001 0.000 0.299 36 F C 1.833 177.541 175.800 -0.153 0.000 1.097 36 F CA 1.275 59.213 58.000 -0.103 0.000 1.264 36 F CB 0.062 39.012 39.000 -0.082 0.000 1.001 36 F HN -0.064 nan 8.300 nan 0.000 0.479 37 N N 0.240 118.997 118.700 0.096 0.000 2.300 37 N HA -0.155 4.584 4.740 -0.001 0.000 0.179 37 N C 1.842 177.275 175.510 -0.128 0.000 1.016 37 N CA 1.069 54.122 53.050 0.005 0.000 0.876 37 N CB -0.494 38.035 38.487 0.070 0.000 0.979 37 N HN 0.519 nan 8.380 nan 0.000 0.432 38 E N 1.121 121.245 120.200 -0.126 0.000 2.051 38 E HA -0.102 4.248 4.350 -0.001 0.000 0.192 38 E C 1.779 178.231 176.600 -0.247 0.000 0.991 38 E CA 1.049 57.365 56.400 -0.141 0.000 0.799 38 E CB 0.063 29.702 29.700 -0.100 0.000 0.748 38 E HN 0.287 nan 8.360 nan 0.000 0.449 39 A N 1.477 124.066 122.820 -0.385 0.000 1.898 39 A HA -0.181 4.138 4.320 -0.001 0.000 0.216 39 A C 2.111 179.148 177.584 -0.912 0.000 1.181 39 A CA 1.593 53.275 52.037 -0.592 0.000 0.620 39 A CB -0.462 18.147 19.000 -0.652 0.000 0.819 39 A HN 0.189 nan 8.150 nan 0.000 0.442 40 K N -0.431 119.302 120.400 -1.111 0.000 2.152 40 K HA -0.242 4.077 4.320 -0.001 0.000 0.206 40 K C 2.254 178.766 176.600 -0.147 0.000 1.048 40 K CA 1.772 57.562 56.287 -0.828 0.000 0.933 40 K CB -0.161 32.077 32.500 -0.436 0.000 0.721 40 K HN 0.667 nan 8.250 nan 0.000 0.447 41 Q N 0.569 120.284 119.800 -0.143 0.000 2.046 41 Q HA -0.122 4.218 4.340 -0.001 0.000 0.200 41 Q C 2.089 178.069 176.000 -0.034 0.000 0.975 41 Q CA 1.446 57.240 55.803 -0.014 0.000 0.836 41 Q CB -0.035 28.672 28.738 -0.053 0.000 0.896 41 Q HN 0.385 nan 8.270 nan 0.000 0.428 42 I N 0.164 120.645 120.570 -0.148 0.000 2.286 42 I HA -0.285 3.884 4.170 -0.001 0.000 0.248 42 I C 2.180 178.161 176.117 -0.226 0.000 1.115 42 I CA 1.175 62.360 61.300 -0.192 0.000 1.392 42 I CB -0.365 37.488 38.000 -0.245 0.000 1.065 42 I HN 0.345 nan 8.210 nan 0.000 0.418 43 Y N 1.056 121.154 120.300 -0.337 0.000 2.181 43 Y HA -0.267 4.282 4.550 -0.001 0.000 0.288 43 Y C 2.072 177.720 175.900 -0.419 0.000 1.146 43 Y CA 1.769 59.636 58.100 -0.388 0.000 1.164 43 Y CB -0.279 37.947 38.460 -0.391 0.000 0.982 43 Y HN -0.010 nan 8.280 nan 0.000 0.515 44 F N -0.314 119.631 119.950 -0.009 0.000 2.615 44 F HA -0.020 4.506 4.527 -0.001 0.000 0.297 44 F C 2.364 178.115 175.800 -0.081 0.000 1.124 44 F CA 0.881 58.864 58.000 -0.029 0.000 1.451 44 F CB -0.319 38.713 39.000 0.053 0.000 1.103 44 F HN 0.076 nan 8.300 nan 0.000 0.569 45 Q N -0.494 119.319 119.800 0.023 0.000 2.123 45 Q HA -0.021 4.318 4.340 -0.001 0.000 0.196 45 Q C 1.913 177.874 176.000 -0.066 0.000 0.958 45 Q CA 0.881 56.681 55.803 -0.005 0.000 0.841 45 Q CB 0.256 28.976 28.738 -0.031 0.000 0.915 45 Q HN 0.167 nan 8.270 nan 0.000 0.455 46 R N -1.707 118.665 120.500 -0.212 0.000 2.342 46 R HA 0.179 4.519 4.340 -0.001 0.000 0.204 46 R C 1.718 177.841 176.300 -0.294 0.000 0.882 46 R CA 0.497 56.435 56.100 -0.269 0.000 1.041 46 R CB 0.167 30.082 30.300 -0.641 0.000 1.188 46 R HN 0.265 nan 8.270 nan 0.000 0.598 47 C N -0.097 118.888 119.300 -0.526 0.000 2.563 47 C HA 0.394 4.853 4.460 -0.001 0.000 0.346 47 C C 2.579 177.226 174.990 -0.572 0.000 1.334 47 C CA 0.168 58.847 59.018 -0.564 0.000 1.938 47 C CB -0.227 26.943 27.740 -0.951 0.000 2.445 47 C HN 0.416 nan 8.230 nan 0.000 0.541 48 A N 1.724 124.047 122.820 -0.828 0.000 2.024 48 A HA 0.065 4.385 4.320 -0.001 0.000 0.220 48 A C 2.274 179.848 177.584 -0.015 0.000 1.164 48 A CA 2.061 53.887 52.037 -0.351 0.000 0.643 48 A CB -1.170 17.758 19.000 -0.120 0.000 0.806 48 A HN 0.575 nan 8.150 nan 0.000 0.451 49 G N -0.936 107.863 108.800 -0.002 0.000 2.491 49 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.218 49 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.218 49 G C 1.547 176.489 174.900 0.070 0.000 1.180 49 G CA 1.496 46.650 45.100 0.090 0.000 0.774 49 G HN 0.543 nan 8.290 nan 0.000 0.562 50 C N -1.188 118.119 119.300 0.012 0.000 2.518 50 C HA 0.275 4.735 4.460 -0.001 0.000 0.283 50 C C 2.276 177.197 174.990 -0.114 0.000 1.351 50 C CA 0.148 59.121 59.018 -0.074 0.000 1.745 50 C CB -0.675 26.971 27.740 -0.158 0.000 2.107 50 C HN 0.497 nan 8.230 nan 0.000 0.502 51 H N 0.443 119.531 119.070 0.030 0.000 2.563 51 H HA 0.263 4.818 4.556 -0.001 0.000 0.264 51 H C 1.363 176.772 175.328 0.135 0.000 0.957 51 H CA 1.248 57.349 56.048 0.090 0.000 1.173 51 H CB 0.098 29.931 29.762 0.118 0.000 1.420 51 H HN 0.559 nan 8.280 nan 0.000 0.551 52 G N 0.178 109.108 108.800 0.218 0.000 2.705 52 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.686 52 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.686 52 G C 0.832 175.868 174.900 0.226 0.000 1.285 52 G CA -0.175 45.050 45.100 0.207 0.000 0.800 52 G HN 0.092 nan 8.290 nan 0.000 0.611 53 V N 1.221 121.241 119.914 0.176 0.000 2.469 53 V HA -0.118 4.002 4.120 -0.001 0.000 0.251 53 V C 2.631 178.711 176.094 -0.023 0.000 1.064 53 V CA 2.442 64.825 62.300 0.137 0.000 1.066 53 V CB -0.490 31.208 31.823 -0.209 0.000 0.667 53 V HN 0.545 nan 8.190 nan 0.000 0.461 54 L N -1.344 119.841 121.223 -0.064 0.000 2.640 54 L HA 0.304 4.644 4.340 -0.001 0.000 0.230 54 L C 1.283 178.120 176.870 -0.054 0.000 1.123 54 L CA 0.039 54.831 54.840 -0.080 0.000 0.900 54 L CB 0.037 42.076 42.059 -0.034 0.000 1.146 54 L HN 0.223 nan 8.230 nan 0.000 0.484 55 R N -0.630 119.878 120.500 0.012 0.000 3.951 55 R HA -0.167 4.172 4.340 -0.001 0.000 0.352 55 R C 0.935 177.270 176.300 0.058 0.000 1.178 55 R CA 0.315 56.444 56.100 0.049 0.000 0.949 55 R CB -1.158 29.081 30.300 -0.102 0.000 1.452 55 R HN 0.188 nan 8.270 nan 0.000 0.540 56 K N 0.841 121.265 120.400 0.041 0.000 2.442 56 K HA 0.016 4.336 4.320 -0.001 0.000 0.198 56 K C 1.060 177.718 176.600 0.097 0.000 1.042 56 K CA 1.294 57.582 56.287 0.002 0.000 0.958 56 K CB 0.082 32.485 32.500 -0.162 0.000 0.766 56 K HN 0.569 nan 8.250 nan 0.000 0.474 57 G N -0.006 108.897 108.800 0.172 0.000 2.785 57 G HA2 0.032 3.991 3.960 -0.001 0.000 0.686 57 G HA3 0.032 3.991 3.960 -0.001 0.000 0.686 57 G C -0.139 174.921 174.900 0.266 0.000 1.155 57 G CA -0.287 44.941 45.100 0.215 0.000 0.760 57 G HN 0.378 nan 8.290 nan 0.000 0.624 58 A N 1.052 123.991 122.820 0.198 0.000 3.044 58 A HA 0.862 5.181 4.320 -0.001 0.000 0.200 58 A C 2.037 179.655 177.584 0.056 0.000 1.557 58 A CA 1.231 53.423 52.037 0.258 0.000 1.647 58 A CB -0.522 18.583 19.000 0.174 0.000 1.580 58 A HN 1.556 nan 8.150 nan 0.000 0.503 59 T N 0.821 115.300 114.554 -0.123 0.000 3.052 59 T HA 0.200 4.549 4.350 -0.001 0.000 0.270 59 T C 0.723 175.270 174.700 -0.255 0.000 1.147 59 T CA 1.270 63.184 62.100 -0.310 0.000 1.089 59 T CB -0.557 68.161 68.868 -0.250 0.000 0.875 59 T HN 0.866 nan 8.240 nan 0.000 0.541 60 G N 0.148 108.802 108.800 -0.244 0.000 2.569 60 G HA2 0.566 4.525 3.960 -0.001 0.000 0.300 60 G HA3 0.566 4.525 3.960 -0.001 0.000 0.300 60 G C -1.013 173.879 174.900 -0.013 0.000 1.269 60 G CA -0.979 43.959 45.100 -0.270 0.000 0.959 60 G HN 0.138 nan 8.290 nan 0.000 0.478 61 K N 1.172 121.634 120.400 0.104 0.000 2.469 61 K HA 0.123 4.443 4.320 -0.001 0.000 0.274 61 K C -2.210 174.531 176.600 0.236 0.000 0.983 61 K CA -0.756 55.627 56.287 0.160 0.000 0.974 61 K CB 0.420 33.011 32.500 0.151 0.000 0.913 61 K HN 0.217 nan 8.250 nan 0.000 0.493 62 P HA -0.010 nan 4.420 nan 0.000 0.268 62 P C -0.298 177.054 177.300 0.086 0.000 1.204 62 P CA 0.373 63.547 63.100 0.123 0.000 0.768 62 P CB 0.385 32.126 31.700 0.068 0.000 0.842 63 L N 1.928 123.180 121.223 0.049 0.000 3.094 63 L HA 0.167 4.507 4.340 -0.001 0.000 0.254 63 L C 0.799 177.616 176.870 -0.090 0.000 1.298 63 L CA -0.197 54.618 54.840 -0.042 0.000 1.050 63 L CB -0.287 41.701 42.059 -0.119 0.000 1.420 63 L HN 0.364 nan 8.230 nan 0.000 0.548 64 T N -4.363 110.155 114.554 -0.060 0.000 2.889 64 T HA 0.274 4.624 4.350 -0.001 0.000 0.291 64 T C -1.762 172.894 174.700 -0.073 0.000 0.995 64 T CA -1.807 60.247 62.100 -0.077 0.000 1.092 64 T CB 1.592 70.431 68.868 -0.049 0.000 0.954 64 T HN -0.144 nan 8.240 nan 0.000 0.506 65 P HA -0.277 nan 4.420 nan 0.000 0.220 65 P C 1.433 178.695 177.300 -0.064 0.000 1.155 65 P CA 1.692 64.743 63.100 -0.081 0.000 0.880 65 P CB -0.014 31.637 31.700 -0.081 0.000 0.790 66 D N -1.190 119.180 120.400 -0.050 0.000 2.149 66 D HA -0.171 4.468 4.640 -0.001 0.000 0.198 66 D C 1.696 177.969 176.300 -0.044 0.000 0.990 66 D CA 1.462 55.438 54.000 -0.041 0.000 0.839 66 D CB -0.900 39.883 40.800 -0.028 0.000 0.948 66 D HN 0.145 nan 8.370 nan 0.000 0.460 67 I N 1.205 121.748 120.570 -0.046 0.000 2.385 67 I HA -0.123 4.046 4.170 -0.001 0.000 0.244 67 I C 2.712 178.788 176.117 -0.068 0.000 1.089 67 I CA 1.529 62.797 61.300 -0.052 0.000 1.410 67 I CB -1.570 36.408 38.000 -0.037 0.000 1.117 67 I HN 0.217 nan 8.210 nan 0.000 0.429 68 T N -0.704 113.814 114.554 -0.060 0.000 2.788 68 T HA -0.228 4.122 4.350 -0.001 0.000 0.268 68 T C 1.742 176.411 174.700 -0.052 0.000 1.044 68 T CA 1.308 63.376 62.100 -0.054 0.000 1.139 68 T CB -0.481 68.355 68.868 -0.053 0.000 0.867 68 T HN 0.350 nan 8.240 nan 0.000 0.454 69 Q N 0.390 120.154 119.800 -0.059 0.000 2.297 69 Q HA -0.043 4.296 4.340 -0.001 0.000 0.204 69 Q C 2.513 178.483 176.000 -0.050 0.000 0.962 69 Q CA 1.031 56.801 55.803 -0.054 0.000 0.879 69 Q CB -0.150 28.549 28.738 -0.064 0.000 0.947 69 Q HN 0.736 nan 8.270 nan 0.000 0.462 70 Q N 0.391 120.154 119.800 -0.062 0.000 2.083 70 Q HA -0.141 4.198 4.340 -0.001 0.000 0.198 70 Q C 1.847 177.794 176.000 -0.090 0.000 0.969 70 Q CA 0.761 56.522 55.803 -0.069 0.000 0.838 70 Q CB 0.268 28.961 28.738 -0.075 0.000 0.900 70 Q HN 0.164 nan 8.270 nan 0.000 0.436 71 R N 0.083 120.506 120.500 -0.127 0.000 2.075 71 R HA 0.054 4.394 4.340 -0.001 0.000 0.232 71 R C 1.046 177.329 176.300 -0.028 0.000 1.126 71 R CA 1.102 57.087 56.100 -0.191 0.000 0.963 71 R CB -0.927 29.199 30.300 -0.289 0.000 0.858 71 R HN 0.433 nan 8.270 nan 0.000 0.435 72 G N 0.156 108.957 108.800 0.002 0.000 2.746 72 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.685 72 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.685 72 G C 0.324 175.269 174.900 0.075 0.000 1.350 72 G CA -0.100 45.021 45.100 0.035 0.000 0.837 72 G HN 0.084 nan 8.290 nan 0.000 0.564 73 Q N -0.216 119.619 119.800 0.059 0.000 2.077 73 Q HA -0.170 4.169 4.340 -0.001 0.000 0.206 73 Q C 2.873 178.921 176.000 0.079 0.000 0.989 73 Q CA 2.664 58.504 55.803 0.062 0.000 0.853 73 Q CB -0.284 28.481 28.738 0.045 0.000 0.907 73 Q HN 0.789 nan 8.270 nan 0.000 0.418 74 Q N -0.931 118.921 119.800 0.086 0.000 2.050 74 Q HA -0.195 4.144 4.340 -0.001 0.000 0.202 74 Q C 1.942 178.007 176.000 0.109 0.000 0.980 74 Q CA 1.609 57.463 55.803 0.085 0.000 0.840 74 Q CB -0.362 28.423 28.738 0.079 0.000 0.898 74 Q HN 0.372 nan 8.270 nan 0.000 0.424 75 Y N 1.429 121.750 120.300 0.035 0.000 2.114 75 Y HA -0.243 4.306 4.550 -0.001 0.000 0.284 75 Y C 1.853 177.779 175.900 0.045 0.000 1.143 75 Y CA 1.467 59.593 58.100 0.043 0.000 1.135 75 Y CB -0.297 38.183 38.460 0.033 0.000 0.980 75 Y HN 0.003 nan 8.280 nan 0.000 0.499 76 L N 0.059 121.468 121.223 0.309 0.000 1.990 76 L HA -0.282 4.058 4.340 -0.001 0.000 0.213 76 L C 2.459 179.371 176.870 0.069 0.000 1.072 76 L CA 2.087 57.046 54.840 0.198 0.000 0.755 76 L CB -0.733 41.406 42.059 0.134 0.000 0.889 76 L HN 0.297 nan 8.230 nan 0.000 0.432 77 E N 0.055 120.281 120.200 0.043 0.000 2.058 77 E HA -0.244 4.106 4.350 -0.001 0.000 0.194 77 E C 2.286 178.858 176.600 -0.048 0.000 0.997 77 E CA 1.244 57.643 56.400 -0.001 0.000 0.801 77 E CB -0.227 29.474 29.700 0.003 0.000 0.746 77 E HN 0.526 nan 8.360 nan 0.000 0.450 78 A N 1.182 123.980 122.820 -0.038 0.000 1.933 78 A HA -0.152 4.167 4.320 -0.001 0.000 0.218 78 A C 2.165 179.729 177.584 -0.034 0.000 1.175 78 A CA 0.971 52.999 52.037 -0.014 0.000 0.628 78 A CB -0.501 18.514 19.000 0.025 0.000 0.814 78 A HN 0.230 nan 8.150 nan 0.000 0.444 79 L N -0.592 120.562 121.223 -0.114 0.000 2.072 79 L HA -0.030 4.309 4.340 -0.001 0.000 0.205 79 L C 2.258 179.143 176.870 0.026 0.000 1.079 79 L CA 1.243 56.041 54.840 -0.070 0.000 0.752 79 L CB -0.198 41.798 42.059 -0.104 0.000 0.906 79 L HN 0.402 nan 8.230 nan 0.000 0.436 80 I N -0.853 119.743 120.570 0.044 0.000 2.361 80 I HA -0.260 3.910 4.170 -0.001 0.000 0.251 80 I C 2.213 178.381 176.117 0.084 0.000 1.133 80 I CA 1.330 62.712 61.300 0.137 0.000 1.413 80 I CB -0.555 37.497 38.000 0.086 0.000 1.073 80 I HN 0.249 nan 8.210 nan 0.000 0.424 81 T N -0.249 114.228 114.554 -0.129 0.000 2.737 81 T HA -0.140 4.209 4.350 -0.001 0.000 0.265 81 T C 1.395 175.788 174.700 -0.512 0.000 1.038 81 T CA 1.667 63.530 62.100 -0.395 0.000 1.144 81 T CB -0.195 68.227 68.868 -0.744 0.000 0.866 81 T HN 0.303 nan 8.240 nan 0.000 0.434 82 Y N 0.382 120.676 120.300 -0.009 0.000 2.498 82 Y HA 0.462 5.011 4.550 -0.001 0.000 0.259 82 Y C 1.691 177.556 175.900 -0.059 0.000 1.086 82 Y CA -0.219 57.857 58.100 -0.041 0.000 1.287 82 Y CB -0.212 38.219 38.460 -0.049 0.000 1.146 82 Y HN 0.376 nan 8.280 nan 0.000 0.523 83 G N 0.816 109.659 108.800 0.071 0.000 2.693 83 G HA2 -0.084 3.875 3.960 -0.001 0.000 0.226 83 G HA3 -0.084 3.875 3.960 -0.001 0.000 0.226 83 G C -0.199 174.726 174.900 0.040 0.000 1.354 83 G CA -0.227 44.891 45.100 0.030 0.000 0.873 83 G HN 0.587 nan 8.290 nan 0.000 0.562 84 T N -2.447 112.117 114.554 0.017 0.000 2.906 84 T HA 0.782 5.131 4.350 -0.001 0.000 0.295 84 T C -1.399 173.295 174.700 -0.009 0.000 1.061 84 T CA -0.429 61.681 62.100 0.015 0.000 1.000 84 T CB 2.882 71.772 68.868 0.036 0.000 1.103 84 T HN 0.652 nan 8.240 nan 0.000 0.486 85 P HA 0.147 nan 4.420 nan 0.000 0.237 85 P C 0.835 178.120 177.300 -0.025 0.000 1.178 85 P CA 0.309 63.396 63.100 -0.023 0.000 0.766 85 P CB 0.104 31.793 31.700 -0.019 0.000 0.876 86 L N -0.802 120.410 121.223 -0.018 0.000 2.737 86 L HA 0.346 4.685 4.340 -0.001 0.000 0.236 86 L C 1.442 178.289 176.870 -0.038 0.000 1.219 86 L CA 0.466 55.291 54.840 -0.024 0.000 1.021 86 L CB -0.680 41.372 42.059 -0.011 0.000 1.291 86 L HN 0.119 nan 8.230 nan 0.000 0.470 87 G N 0.097 108.869 108.800 -0.048 0.000 2.253 87 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.209 87 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.209 87 G C 0.127 174.989 174.900 -0.063 0.000 0.997 87 G CA -0.194 44.867 45.100 -0.066 0.000 0.640 87 G HN 0.222 nan 8.290 nan 0.000 0.496 88 M N 4.308 123.890 119.600 -0.030 0.000 2.193 88 M HA 0.502 4.982 4.480 -0.001 0.000 0.342 88 M C -1.894 174.352 176.300 -0.090 0.000 1.413 88 M CA -3.120 52.183 55.300 0.005 0.000 1.191 88 M CB 0.378 33.027 32.600 0.082 0.000 1.633 88 M HN 0.094 nan 8.290 nan 0.000 0.458 89 P HA 0.007 nan 4.420 nan 0.000 0.267 89 P C -1.074 175.873 177.300 -0.588 0.000 1.200 89 P CA 0.167 62.953 63.100 -0.522 0.000 0.772 89 P CB 0.095 31.236 31.700 -0.931 0.000 0.855 90 N N 2.127 120.559 118.700 -0.446 0.000 2.807 90 N HA 0.000 4.740 4.740 -0.001 0.000 0.259 90 N C 0.420 175.751 175.510 -0.298 0.000 1.149 90 N CA -0.429 52.462 53.050 -0.264 0.000 1.042 90 N CB -0.247 38.172 38.487 -0.113 0.000 1.367 90 N HN 0.479 nan 8.380 nan 0.000 0.516 91 W N 1.845 123.107 121.300 -0.063 0.000 2.350 91 W HA -0.018 4.641 4.660 -0.001 0.000 0.289 91 W C 2.164 178.629 176.519 -0.089 0.000 1.215 91 W CA 0.988 58.291 57.345 -0.069 0.000 1.236 91 W CB -0.110 29.310 29.460 -0.067 0.000 1.130 91 W HN 0.554 nan 8.180 nan 0.000 0.541 92 G N -1.338 107.482 108.800 0.033 0.000 2.447 92 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.211 92 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.211 92 G C 1.490 176.354 174.900 -0.059 0.000 1.184 92 G CA 0.862 45.929 45.100 -0.055 0.000 0.813 92 G HN 0.180 nan 8.290 nan 0.000 0.540 93 S N 1.289 116.943 115.700 -0.077 0.000 2.387 93 S HA -0.201 4.268 4.470 -0.001 0.000 0.230 93 S C 2.616 177.213 174.600 -0.006 0.000 1.035 93 S CA 2.369 60.573 58.200 0.006 0.000 1.014 93 S CB -0.461 62.787 63.200 0.081 0.000 0.836 93 S HN 0.535 nan 8.310 nan 0.000 0.466 94 S N -0.388 115.291 115.700 -0.035 0.000 2.522 94 S HA 0.276 4.745 4.470 -0.001 0.000 0.227 94 S C 1.666 176.261 174.600 -0.009 0.000 0.986 94 S CA 1.061 59.238 58.200 -0.039 0.000 0.929 94 S CB -0.562 62.583 63.200 -0.090 0.000 0.769 94 S HN 1.348 nan 8.310 nan 0.000 0.529 95 G N 0.986 109.790 108.800 0.008 0.000 2.159 95 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.256 95 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.256 95 G C 0.713 175.640 174.900 0.044 0.000 0.977 95 G CA 0.423 45.536 45.100 0.020 0.000 0.652 95 G HN 0.438 nan 8.290 nan 0.000 0.531 96 E N -0.475 119.772 120.200 0.079 0.000 2.110 96 E HA 0.073 4.423 4.350 -0.001 0.000 0.193 96 E C 1.472 178.158 176.600 0.143 0.000 0.988 96 E CA 0.920 57.406 56.400 0.145 0.000 0.804 96 E CB 0.023 29.886 29.700 0.272 0.000 0.745 96 E HN 0.666 nan 8.360 nan 0.000 0.458 97 L N -0.179 121.125 121.223 0.135 0.000 2.333 97 L HA 0.276 4.616 4.340 -0.001 0.000 0.263 97 L C 0.207 177.095 176.870 0.030 0.000 1.014 97 L CA -0.831 54.047 54.840 0.064 0.000 0.820 97 L CB 2.035 44.123 42.059 0.048 0.000 1.352 97 L HN -0.134 nan 8.230 nan 0.000 0.421 98 S N -0.709 114.991 115.700 0.001 0.000 2.687 98 S HA 0.344 4.813 4.470 -0.001 0.000 0.283 98 S C 0.545 175.135 174.600 -0.017 0.000 1.170 98 S CA -0.839 57.357 58.200 -0.007 0.000 1.008 98 S CB 1.826 65.021 63.200 -0.010 0.000 1.026 98 S HN 0.606 nan 8.310 nan 0.000 0.541 99 K N 0.674 121.063 120.400 -0.018 0.000 2.211 99 K HA -0.122 4.198 4.320 -0.001 0.000 0.204 99 K C 1.825 178.414 176.600 -0.019 0.000 1.047 99 K CA 1.548 57.821 56.287 -0.023 0.000 0.935 99 K CB -0.126 32.364 32.500 -0.016 0.000 0.728 99 K HN 0.668 nan 8.250 nan 0.000 0.452 100 E N 1.096 121.286 120.200 -0.017 0.000 2.046 100 E HA -0.195 4.155 4.350 -0.001 0.000 0.190 100 E C 1.992 178.576 176.600 -0.027 0.000 0.982 100 E CA 1.179 57.569 56.400 -0.017 0.000 0.800 100 E CB -0.351 29.340 29.700 -0.014 0.000 0.756 100 E HN 0.445 nan 8.360 nan 0.000 0.449 101 Q N 0.650 120.427 119.800 -0.038 0.000 2.016 101 Q HA -0.032 4.308 4.340 -0.001 0.000 0.200 101 Q C 2.553 178.515 176.000 -0.064 0.000 0.978 101 Q CA 1.099 56.866 55.803 -0.061 0.000 0.833 101 Q CB -0.246 28.448 28.738 -0.073 0.000 0.895 101 Q HN 0.252 nan 8.270 nan 0.000 0.427 102 I N 0.646 121.185 120.570 -0.051 0.000 2.248 102 I HA -0.305 3.865 4.170 -0.001 0.000 0.248 102 I C 2.150 178.251 176.117 -0.028 0.000 1.107 102 I CA 1.202 62.474 61.300 -0.045 0.000 1.373 102 I CB -0.359 37.619 38.000 -0.037 0.000 1.055 102 I HN 0.248 nan 8.210 nan 0.000 0.418 103 T N 0.988 115.531 114.554 -0.019 0.000 2.821 103 T HA -0.073 4.277 4.350 -0.001 0.000 0.267 103 T C 1.924 176.627 174.700 0.005 0.000 1.046 103 T CA 1.051 63.150 62.100 -0.001 0.000 1.139 103 T CB -0.159 68.711 68.868 0.002 0.000 0.871 103 T HN 0.254 nan 8.240 nan 0.000 0.454 104 L N 0.265 121.480 121.223 -0.014 0.000 2.093 104 L HA -0.059 4.281 4.340 -0.001 0.000 0.208 104 L C 2.650 179.516 176.870 -0.007 0.000 1.085 104 L CA 0.780 55.609 54.840 -0.018 0.000 0.755 104 L CB -0.430 41.593 42.059 -0.060 0.000 0.904 104 L HN 0.264 nan 8.230 nan 0.000 0.435 105 M N -0.508 119.077 119.600 -0.026 0.000 2.099 105 M HA -0.110 4.370 4.480 -0.001 0.000 0.262 105 M C 2.616 178.948 176.300 0.053 0.000 1.067 105 M CA 1.838 57.143 55.300 0.008 0.000 1.124 105 M CB -1.389 31.176 32.600 -0.058 0.000 1.353 105 M HN 0.246 nan 8.290 nan 0.000 0.410 106 A N 0.364 123.202 122.820 0.030 0.000 2.024 106 A HA -0.191 4.128 4.320 -0.001 0.000 0.220 106 A C 2.286 179.905 177.584 0.058 0.000 1.164 106 A CA 1.678 53.739 52.037 0.040 0.000 0.643 106 A CB -0.528 18.495 19.000 0.038 0.000 0.806 106 A HN 0.524 nan 8.150 nan 0.000 0.451 107 K N -2.124 118.328 120.400 0.086 0.000 2.067 107 K HA -0.033 4.287 4.320 -0.001 0.000 0.203 107 K C 1.993 178.734 176.600 0.235 0.000 1.048 107 K CA 1.145 57.519 56.287 0.144 0.000 0.954 107 K CB -0.366 32.222 32.500 0.147 0.000 0.737 107 K HN 0.507 nan 8.250 nan 0.000 0.444 108 Y N 2.938 123.240 120.300 0.003 0.000 2.114 108 Y HA -0.205 4.345 4.550 -0.001 0.000 0.282 108 Y C 1.802 177.666 175.900 -0.059 0.000 1.165 108 Y CA 1.529 59.564 58.100 -0.108 0.000 1.148 108 Y CB -0.362 37.927 38.460 -0.286 0.000 0.972 108 Y HN 0.063 nan 8.280 nan 0.000 0.504 109 I N -1.230 119.235 120.570 -0.175 0.000 3.334 109 I HA -0.081 4.088 4.170 -0.001 0.000 0.282 109 I C 1.114 177.133 176.117 -0.165 0.000 1.313 109 I CA 1.028 62.158 61.300 -0.284 0.000 1.396 109 I CB -0.497 37.398 38.000 -0.174 0.000 1.054 109 I HN 0.322 nan 8.210 nan 0.000 0.495 110 Q N -0.081 119.678 119.800 -0.069 0.000 2.282 110 Q HA 0.242 4.582 4.340 -0.001 0.000 0.206 110 Q C 0.090 176.000 176.000 -0.150 0.000 0.878 110 Q CA -0.020 55.730 55.803 -0.088 0.000 0.944 110 Q CB 0.452 29.149 28.738 -0.068 0.000 1.100 110 Q HN 0.646 nan 8.270 nan 0.000 0.509 111 H N 0.003 119.005 119.070 -0.113 0.000 2.559 111 H HA 0.239 4.795 4.556 -0.001 0.000 0.343 111 H C -0.096 175.166 175.328 -0.110 0.000 1.209 111 H CA -0.365 55.651 56.048 -0.052 0.000 1.287 111 H CB 1.449 31.265 29.762 0.091 0.000 1.650 111 H HN -0.072 nan 8.280 nan 0.000 0.567 112 T N 3.746 118.346 114.554 0.078 0.000 2.902 112 T HA 0.065 4.414 4.350 -0.001 0.000 0.301 112 T C -2.178 172.511 174.700 -0.018 0.000 1.012 112 T CA -0.843 61.263 62.100 0.009 0.000 1.151 112 T CB 0.169 69.055 68.868 0.030 0.000 0.946 112 T HN 0.270 nan 8.240 nan 0.000 0.542 113 P HA 0.194 nan 4.420 nan 0.000 0.267 113 P C -2.221 175.077 177.300 -0.004 0.000 1.209 113 P CA -0.974 62.041 63.100 -0.142 0.000 0.763 113 P CB -0.212 31.399 31.700 -0.149 0.000 0.816 114 P HA 0.084 nan 4.420 nan 0.000 0.271 114 P C -0.489 176.869 177.300 0.096 0.000 1.233 114 P CA 0.001 63.203 63.100 0.171 0.000 0.789 114 P CB 0.450 32.346 31.700 0.326 0.000 0.951 115 Q N 1.731 121.583 119.800 0.088 0.000 2.290 115 Q HA 0.383 4.723 4.340 -0.001 0.000 0.259 115 Q C -2.092 173.950 176.000 0.070 0.000 0.941 115 Q CA -1.572 54.275 55.803 0.074 0.000 0.912 115 Q CB 0.756 29.553 28.738 0.098 0.000 1.244 115 Q HN 0.355 nan 8.270 nan 0.000 0.441 116 P HA 0.328 nan 4.420 nan 0.000 0.276 116 P C -2.425 175.040 177.300 0.274 0.000 1.244 116 P CA -1.148 61.984 63.100 0.054 0.000 0.801 116 P CB 0.085 31.657 31.700 -0.214 0.000 1.006 117 P HA 0.160 nan 4.420 nan 0.000 0.277 117 P C -0.328 177.194 177.300 0.371 0.000 1.240 117 P CA -0.141 63.129 63.100 0.284 0.000 0.798 117 P CB 1.021 32.869 31.700 0.246 0.000 0.979 118 E N 0.625 120.981 120.200 0.261 0.000 2.622 118 E HA 0.219 4.568 4.350 -0.001 0.000 0.255 118 E C -0.610 176.159 176.600 0.281 0.000 1.313 118 E CA 0.051 56.566 56.400 0.191 0.000 1.011 118 E CB 0.581 30.335 29.700 0.091 0.000 1.173 118 E HN 0.607 nan 8.360 nan 0.000 0.601 119 W N 0.480 121.751 121.300 -0.047 0.000 2.113 119 W HA 0.345 5.005 4.660 -0.000 0.000 0.290 119 W C -0.798 175.683 176.519 -0.063 0.000 1.033 119 W CA -0.244 57.079 57.345 -0.037 0.000 1.156 119 W CB 0.615 30.057 29.460 -0.029 0.000 1.109 119 W HN 0.534 nan 8.180 nan 0.000 0.290 120 G N 1.652 110.335 108.800 -0.196 0.000 2.702 120 G HA2 0.319 4.278 3.960 -0.001 0.000 0.254 120 G HA3 0.319 4.278 3.960 -0.001 0.000 0.254 120 G C 0.437 175.183 174.900 -0.258 0.000 1.380 120 G CA -0.385 44.612 45.100 -0.172 0.000 1.042 120 G HN 0.275 nan 8.290 nan 0.000 0.557 121 M N 0.438 119.933 119.600 -0.175 0.000 2.082 121 M HA 0.000 4.480 4.480 -0.001 0.000 0.258 121 M C -0.302 175.888 176.300 -0.184 0.000 1.069 121 M CA 1.928 57.133 55.300 -0.158 0.000 1.102 121 M CB -1.072 31.458 32.600 -0.117 0.000 1.336 121 M HN 0.277 nan 8.290 nan 0.000 0.404 122 P HA -0.175 nan 4.420 nan 0.000 0.215 122 P C 1.013 178.151 177.300 -0.269 0.000 1.163 122 P CA 1.684 64.677 63.100 -0.179 0.000 0.894 122 P CB -0.085 31.517 31.700 -0.163 0.000 0.791 123 E N -1.367 118.537 120.200 -0.493 0.000 2.077 123 E HA -0.139 4.211 4.350 -0.001 0.000 0.193 123 E C 2.092 178.294 176.600 -0.664 0.000 0.989 123 E CA 1.297 57.179 56.400 -0.863 0.000 0.800 123 E CB -0.759 27.858 29.700 -1.806 0.000 0.746 123 E HN 0.242 nan 8.360 nan 0.000 0.452 124 M N -0.012 119.309 119.600 -0.465 0.000 2.067 124 M HA -0.122 4.358 4.480 -0.001 0.000 0.260 124 M C 2.237 178.576 176.300 0.066 0.000 1.069 124 M CA 1.506 56.784 55.300 -0.038 0.000 1.117 124 M CB -0.339 32.257 32.600 -0.006 0.000 1.334 124 M HN 0.024 nan 8.290 nan 0.000 0.407 125 R N 0.066 120.575 120.500 0.016 0.000 2.096 125 R HA -0.186 4.154 4.340 -0.001 0.000 0.235 125 R C 2.086 178.493 176.300 0.178 0.000 1.127 125 R CA 1.507 57.701 56.100 0.157 0.000 0.968 125 R CB -0.447 29.908 30.300 0.092 0.000 0.861 125 R HN 0.306 nan 8.270 nan 0.000 0.440 126 E N 1.065 121.294 120.200 0.049 0.000 2.110 126 E HA -0.149 4.201 4.350 -0.001 0.000 0.193 126 E C 1.717 178.372 176.600 0.093 0.000 0.988 126 E CA 1.967 58.390 56.400 0.037 0.000 0.804 126 E CB -0.018 29.657 29.700 -0.042 0.000 0.745 126 E HN 0.299 nan 8.360 nan 0.000 0.458 127 S N -1.233 114.560 115.700 0.155 0.000 2.501 127 S HA -0.014 4.455 4.470 -0.001 0.000 0.220 127 S C 0.499 175.239 174.600 0.234 0.000 0.997 127 S CA -0.186 58.141 58.200 0.213 0.000 0.919 127 S CB -0.578 62.823 63.200 0.335 0.000 0.778 127 S HN 0.401 nan 8.310 nan 0.000 0.523 128 W N 3.836 125.170 121.300 0.055 0.000 2.381 128 W HA 0.439 5.098 4.660 -0.001 0.000 0.321 128 W C -0.491 176.044 176.519 0.026 0.000 1.407 128 W CA -0.829 56.539 57.345 0.038 0.000 1.274 128 W CB -0.044 29.429 29.460 0.022 0.000 1.310 128 W HN 0.028 nan 8.180 nan 0.000 0.551 129 K N 4.915 125.154 120.400 -0.268 0.000 2.397 129 K HA 0.474 4.794 4.320 -0.001 0.000 0.253 129 K C -1.423 174.926 176.600 -0.419 0.000 0.932 129 K CA -1.063 54.990 56.287 -0.390 0.000 0.795 129 K CB 2.328 34.744 32.500 -0.139 0.000 1.159 129 K HN 0.104 nan 8.250 nan 0.000 0.424 130 V N 5.642 125.264 119.914 -0.486 0.000 2.294 130 V HA 0.139 4.259 4.120 -0.001 0.000 0.272 130 V C 1.122 177.124 176.094 -0.153 0.000 1.027 130 V CA -0.354 61.784 62.300 -0.270 0.000 0.823 130 V CB 0.656 32.304 31.823 -0.291 0.000 1.030 130 V HN 0.775 nan 8.190 nan 0.000 0.457 131 L N 4.367 125.545 121.223 -0.075 0.000 2.044 131 L HA 0.097 4.437 4.340 -0.001 0.000 0.205 131 L C 0.386 177.243 176.870 -0.020 0.000 1.075 131 L CA 1.189 56.005 54.840 -0.040 0.000 0.747 131 L CB -0.013 42.042 42.059 -0.007 0.000 0.903 131 L HN 0.419 nan 8.230 nan 0.000 0.435 132 V N 0.403 120.317 119.914 0.000 0.000 2.482 132 V HA 0.217 4.337 4.120 -0.001 0.000 0.295 132 V C -0.201 175.907 176.094 0.023 0.000 1.026 132 V CA -1.116 61.196 62.300 0.019 0.000 0.856 132 V CB 1.590 33.441 31.823 0.047 0.000 1.001 132 V HN 0.120 nan 8.190 nan 0.000 0.424 133 K N 4.847 125.255 120.400 0.012 0.000 2.469 133 K HA 0.122 4.442 4.320 -0.001 0.000 0.274 133 K C -1.619 175.006 176.600 0.042 0.000 0.983 133 K CA -1.047 55.251 56.287 0.018 0.000 0.974 133 K CB 0.757 33.263 32.500 0.011 0.000 0.913 133 K HN 0.325 nan 8.250 nan 0.000 0.493 134 P HA -0.179 nan 4.420 nan 0.000 0.219 134 P C 0.170 177.508 177.300 0.063 0.000 1.146 134 P CA 1.308 64.442 63.100 0.058 0.000 0.808 134 P CB 0.281 32.004 31.700 0.038 0.000 0.779 135 E N -0.780 119.449 120.200 0.048 0.000 2.107 135 E HA -0.115 4.235 4.350 -0.001 0.000 0.191 135 E C 1.244 177.873 176.600 0.048 0.000 0.982 135 E CA 1.014 57.441 56.400 0.045 0.000 0.809 135 E CB -0.707 29.013 29.700 0.033 0.000 0.756 135 E HN 0.299 nan 8.360 nan 0.000 0.459 136 D N 0.209 120.637 120.400 0.047 0.000 2.340 136 D HA 0.043 4.682 4.640 -0.001 0.000 0.220 136 D C 0.250 176.587 176.300 0.063 0.000 1.039 136 D CA 0.174 54.202 54.000 0.046 0.000 0.866 136 D CB 0.172 40.992 40.800 0.034 0.000 0.913 136 D HN 0.075 nan 8.370 nan 0.000 0.523 137 R N 0.994 121.544 120.500 0.082 0.000 2.577 137 R HA 0.361 4.700 4.340 -0.001 0.000 0.269 137 R C -2.129 174.244 176.300 0.121 0.000 1.084 137 R CA -1.329 54.836 56.100 0.109 0.000 1.163 137 R CB -0.114 30.271 30.300 0.141 0.000 1.100 137 R HN -0.101 nan 8.270 nan 0.000 0.547 138 P HA 0.031 nan 4.420 nan 0.000 0.271 138 P C -0.001 177.432 177.300 0.222 0.000 1.244 138 P CA -0.102 63.097 63.100 0.165 0.000 0.793 138 P CB 0.640 32.461 31.700 0.201 0.000 0.984 139 K N 0.193 120.696 120.400 0.171 0.000 2.367 139 K HA 0.122 4.441 4.320 -0.001 0.000 0.195 139 K C 0.510 177.206 176.600 0.159 0.000 1.060 139 K CA 0.740 57.138 56.287 0.186 0.000 1.022 139 K CB 0.368 32.924 32.500 0.093 0.000 0.894 139 K HN 0.555 nan 8.250 nan 0.000 0.540 140 K N -0.403 119.973 120.400 -0.039 0.000 2.522 140 K HA 0.241 4.560 4.320 -0.001 0.000 0.275 140 K C -0.824 175.355 176.600 -0.701 0.000 1.006 140 K CA -0.858 55.117 56.287 -0.519 0.000 0.890 140 K CB 1.233 33.539 32.500 -0.325 0.000 1.475 140 K HN -0.244 nan 8.250 nan 0.000 0.441 141 Q N 1.806 120.907 119.800 -1.166 0.000 2.257 141 Q HA 0.060 4.399 4.340 -0.001 0.000 0.273 141 Q C -0.030 175.763 176.000 -0.345 0.000 1.153 141 Q CA -0.070 55.217 55.803 -0.860 0.000 0.922 141 Q CB 0.208 28.459 28.738 -0.811 0.000 1.242 141 Q HN 0.664 nan 8.270 nan 0.000 0.409 142 L N 3.145 124.268 121.223 -0.167 0.000 2.599 142 L HA 0.020 4.359 4.340 -0.001 0.000 0.230 142 L C 0.246 177.085 176.870 -0.052 0.000 1.141 142 L CA 0.010 54.802 54.840 -0.080 0.000 0.877 142 L CB -0.639 41.408 42.059 -0.019 0.000 1.009 142 L HN 0.615 nan 8.230 nan 0.000 0.447 143 N N -2.686 115.982 118.700 -0.054 0.000 2.531 143 N HA 0.217 4.957 4.740 -0.001 0.000 0.290 143 N C -0.443 175.044 175.510 -0.038 0.000 1.257 143 N CA -0.776 52.260 53.050 -0.024 0.000 0.863 143 N CB 0.679 39.172 38.487 0.010 0.000 1.320 143 N HN -0.189 nan 8.380 nan 0.000 0.538 144 D N -0.289 120.101 120.400 -0.017 0.000 2.559 144 D HA 0.233 4.873 4.640 -0.001 0.000 0.234 144 D C -0.316 175.984 176.300 0.000 0.000 1.226 144 D CA -0.077 53.913 54.000 -0.017 0.000 0.830 144 D CB 0.110 40.901 40.800 -0.014 0.000 1.028 144 D HN 0.383 nan 8.370 nan 0.000 0.492 145 L N 0.507 121.737 121.223 0.012 0.000 2.418 145 L HA 0.204 4.543 4.340 -0.001 0.000 0.265 145 L C 0.850 177.738 176.870 0.031 0.000 1.143 145 L CA -0.482 54.376 54.840 0.030 0.000 0.809 145 L CB 0.773 42.860 42.059 0.046 0.000 1.124 145 L HN -0.215 nan 8.230 nan 0.000 0.456 146 D N 1.985 122.408 120.400 0.038 0.000 2.558 146 D HA 0.155 4.794 4.640 -0.001 0.000 0.221 146 D C 1.156 177.485 176.300 0.048 0.000 1.143 146 D CA -0.024 53.998 54.000 0.036 0.000 1.010 146 D CB 0.300 41.120 40.800 0.034 0.000 1.068 146 D HN 0.413 nan 8.370 nan 0.000 0.511 147 L N 2.542 123.803 121.223 0.063 0.000 2.021 147 L HA -0.162 4.178 4.340 -0.001 0.000 0.215 147 L C -0.455 176.457 176.870 0.071 0.000 1.074 147 L CA 1.371 56.259 54.840 0.080 0.000 0.760 147 L CB -1.597 40.538 42.059 0.126 0.000 0.889 147 L HN 0.320 nan 8.230 nan 0.000 0.433 148 P HA -0.164 nan 4.420 nan 0.000 0.217 148 P C 0.901 178.223 177.300 0.036 0.000 1.148 148 P CA 1.391 64.562 63.100 0.119 0.000 0.828 148 P CB -0.037 31.730 31.700 0.111 0.000 0.783 149 N N -1.615 117.080 118.700 -0.010 0.000 2.235 149 N HA 0.059 4.799 4.740 -0.001 0.000 0.209 149 N C 0.071 175.531 175.510 -0.083 0.000 1.122 149 N CA -0.148 52.865 53.050 -0.061 0.000 0.845 149 N CB -0.478 38.015 38.487 0.009 0.000 1.004 149 N HN -0.086 nan 8.380 nan 0.000 0.499 150 L N 0.138 121.317 121.223 -0.073 0.000 2.466 150 L HA 0.384 4.723 4.340 -0.001 0.000 0.257 150 L C -0.624 176.129 176.870 -0.195 0.000 1.189 150 L CA 0.336 55.167 54.840 -0.014 0.000 0.813 150 L CB 0.224 42.297 42.059 0.023 0.000 1.118 150 L HN -0.021 nan 8.230 nan 0.000 0.471 151 F N 0.418 120.298 119.950 -0.117 0.000 2.547 151 F HA 0.336 4.863 4.527 -0.001 0.000 0.316 151 F C 0.074 175.842 175.800 -0.055 0.000 1.121 151 F CA -0.449 57.448 58.000 -0.172 0.000 0.911 151 F CB 1.993 40.758 39.000 -0.393 0.000 1.179 151 F HN 0.243 nan 8.300 nan 0.000 0.443 152 S N 3.399 119.185 115.700 0.144 0.000 2.434 152 S HA 0.629 5.099 4.470 -0.001 0.000 0.318 152 S C -0.855 173.845 174.600 0.166 0.000 1.062 152 S CA -0.457 57.835 58.200 0.154 0.000 1.116 152 S CB 0.067 63.364 63.200 0.161 0.000 0.977 152 S HN 0.350 nan 8.310 nan 0.000 0.480 153 V N 4.855 124.836 119.914 0.112 0.000 2.472 153 V HA 0.403 4.522 4.120 -0.001 0.000 0.290 153 V C 0.515 176.628 176.094 0.031 0.000 1.037 153 V CA -0.740 61.591 62.300 0.052 0.000 0.908 153 V CB 1.873 33.727 31.823 0.051 0.000 0.985 153 V HN 0.747 nan 8.190 nan 0.000 0.454 154 T N 6.271 120.813 114.554 -0.020 0.000 2.723 154 T HA 0.372 4.721 4.350 -0.001 0.000 0.297 154 T C 0.340 174.994 174.700 -0.077 0.000 0.925 154 T CA -0.098 61.973 62.100 -0.049 0.000 1.030 154 T CB 0.014 68.825 68.868 -0.095 0.000 0.905 154 T HN 0.403 nan 8.240 nan 0.000 0.502 155 L N 4.713 125.911 121.223 -0.043 0.000 2.536 155 L HA 0.297 4.636 4.340 -0.001 0.000 0.242 155 L C 2.055 178.887 176.870 -0.064 0.000 1.280 155 L CA -0.444 54.379 54.840 -0.028 0.000 1.221 155 L CB -0.422 41.642 42.059 0.008 0.000 1.449 155 L HN 0.673 nan 8.230 nan 0.000 0.405 156 R N 1.091 121.517 120.500 -0.124 0.000 2.317 156 R HA -0.292 4.048 4.340 -0.001 0.000 0.222 156 R C 1.224 177.371 176.300 -0.255 0.000 1.087 156 R CA 2.894 58.874 56.100 -0.199 0.000 0.840 156 R CB -0.048 30.131 30.300 -0.200 0.000 0.874 156 R HN 0.491 nan 8.270 nan 0.000 0.418 157 D N -0.612 119.733 120.400 -0.092 0.000 2.221 157 D HA -0.109 4.530 4.640 -0.001 0.000 0.204 157 D C 1.452 177.837 176.300 0.141 0.000 0.982 157 D CA 1.420 55.441 54.000 0.036 0.000 0.857 157 D CB -0.115 40.792 40.800 0.177 0.000 0.934 157 D HN 0.513 nan 8.370 nan 0.000 0.475 158 A N -0.041 122.820 122.820 0.068 0.000 2.167 158 A HA 0.352 4.671 4.320 -0.001 0.000 0.214 158 A C 1.750 179.394 177.584 0.100 0.000 1.151 158 A CA 0.879 52.972 52.037 0.093 0.000 0.735 158 A CB -0.524 18.514 19.000 0.063 0.000 0.802 158 A HN 0.244 nan 8.150 nan 0.000 0.467 159 G N -0.706 108.128 108.800 0.057 0.000 2.314 159 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.292 159 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.292 159 G C -0.188 174.744 174.900 0.054 0.000 1.059 159 G CA 0.656 45.807 45.100 0.084 0.000 0.982 159 G HN 0.779 nan 8.290 nan 0.000 0.505 160 Q N -1.716 118.096 119.800 0.021 0.000 2.685 160 Q HA 0.721 5.061 4.340 -0.001 0.000 0.301 160 Q C -0.471 175.539 176.000 0.017 0.000 0.924 160 Q CA -0.907 54.913 55.803 0.029 0.000 0.755 160 Q CB 1.684 30.446 28.738 0.039 0.000 1.470 160 Q HN 0.885 nan 8.270 nan 0.000 0.434 161 I N -2.468 118.120 120.570 0.030 0.000 2.865 161 I HA 0.949 5.118 4.170 -0.001 0.000 0.302 161 I C -1.443 174.703 176.117 0.048 0.000 1.140 161 I CA -0.783 60.539 61.300 0.037 0.000 1.021 161 I CB 2.287 40.315 38.000 0.046 0.000 1.233 161 I HN 0.614 nan 8.210 nan 0.000 0.427 162 A N 5.638 128.492 122.820 0.057 0.000 2.355 162 A HA 0.849 5.169 4.320 -0.001 0.000 0.317 162 A C -0.924 176.711 177.584 0.085 0.000 1.094 162 A CA -0.663 51.414 52.037 0.066 0.000 0.764 162 A CB 1.101 20.139 19.000 0.064 0.000 1.230 162 A HN 0.801 nan 8.150 nan 0.000 0.448 163 L N 3.076 124.350 121.223 0.086 0.000 2.259 163 L HA 0.372 4.711 4.340 -0.001 0.000 0.288 163 L C -0.673 176.267 176.870 0.117 0.000 1.051 163 L CA -0.565 54.335 54.840 0.100 0.000 0.824 163 L CB 1.042 43.150 42.059 0.082 0.000 1.206 163 L HN 0.427 nan 8.230 nan 0.000 0.429 164 V N 2.065 122.072 119.914 0.156 0.000 2.439 164 V HA 0.125 4.244 4.120 -0.001 0.000 0.282 164 V C -0.045 176.179 176.094 0.217 0.000 1.039 164 V CA -0.577 61.832 62.300 0.181 0.000 0.913 164 V CB 1.950 33.901 31.823 0.213 0.000 0.983 164 V HN 0.617 nan 8.190 nan 0.000 0.460 165 D N 3.662 124.180 120.400 0.196 0.000 2.339 165 D HA 0.323 4.963 4.640 -0.001 0.000 0.256 165 D C 1.341 177.810 176.300 0.283 0.000 1.214 165 D CA 0.691 54.809 54.000 0.197 0.000 0.877 165 D CB 1.567 42.450 40.800 0.138 0.000 1.111 165 D HN 0.603 nan 8.370 nan 0.000 0.478 166 G N 3.495 112.492 108.800 0.329 0.000 2.469 166 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.219 166 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.219 166 G C 1.202 176.337 174.900 0.391 0.000 1.150 166 G CA 0.672 46.035 45.100 0.439 0.000 0.763 166 G HN 0.513 nan 8.290 nan 0.000 0.561 167 D N 0.056 120.597 120.400 0.235 0.000 2.120 167 D HA -0.055 4.585 4.640 -0.001 0.000 0.202 167 D C 2.992 179.364 176.300 0.120 0.000 0.972 167 D CA 1.502 55.599 54.000 0.160 0.000 0.837 167 D CB -0.314 40.550 40.800 0.107 0.000 0.989 167 D HN 0.444 nan 8.370 nan 0.000 0.469 168 S N -0.282 115.487 115.700 0.114 0.000 2.461 168 S HA -0.046 4.424 4.470 -0.001 0.000 0.228 168 S C 0.982 175.622 174.600 0.067 0.000 1.005 168 S CA 0.549 58.794 58.200 0.075 0.000 0.942 168 S CB 0.186 63.426 63.200 0.066 0.000 0.776 168 S HN -0.023 nan 8.310 nan 0.000 0.514 169 K N 0.018 120.490 120.400 0.119 0.000 3.281 169 K HA -0.102 4.217 4.320 -0.001 0.000 0.295 169 K C -0.573 176.064 176.600 0.062 0.000 1.233 169 K CA 1.041 57.377 56.287 0.082 0.000 0.866 169 K CB -1.886 30.574 32.500 -0.066 0.000 1.265 169 K HN 0.616 nan 8.250 nan 0.000 0.482 170 K N -0.157 120.295 120.400 0.086 0.000 2.166 170 K HA 0.516 4.836 4.320 -0.001 0.000 0.245 170 K C 0.017 176.668 176.600 0.085 0.000 0.967 170 K CA -0.933 55.393 56.287 0.065 0.000 0.863 170 K CB 1.351 33.881 32.500 0.049 0.000 1.107 170 K HN -0.021 nan 8.250 nan 0.000 0.436 171 I N 2.777 123.387 120.570 0.068 0.000 2.308 171 I HA -0.039 4.131 4.170 -0.001 0.000 0.293 171 I C 1.048 177.203 176.117 0.064 0.000 1.078 171 I CA -0.132 61.211 61.300 0.072 0.000 1.292 171 I CB 0.954 38.989 38.000 0.060 0.000 1.423 171 I HN 0.459 nan 8.210 nan 0.000 0.493 172 V N 5.286 125.243 119.914 0.072 0.000 2.591 172 V HA -0.024 4.096 4.120 -0.001 0.000 0.249 172 V C 0.550 176.678 176.094 0.056 0.000 1.053 172 V CA 1.186 63.524 62.300 0.063 0.000 1.068 172 V CB -0.529 31.336 31.823 0.070 0.000 0.689 172 V HN 0.726 nan 8.190 nan 0.000 0.462 173 K N -0.542 119.893 120.400 0.059 0.000 2.579 173 K HA 0.398 4.718 4.320 -0.001 0.000 0.257 173 K C -1.719 174.914 176.600 0.054 0.000 0.950 173 K CA -0.199 56.120 56.287 0.053 0.000 0.862 173 K CB 1.824 34.356 32.500 0.054 0.000 1.317 173 K HN -0.156 nan 8.250 nan 0.000 0.436 174 V N 5.882 125.825 119.914 0.049 0.000 2.394 174 V HA 0.557 4.677 4.120 -0.001 0.000 0.282 174 V C -0.035 176.087 176.094 0.046 0.000 1.031 174 V CA -0.558 61.771 62.300 0.048 0.000 0.881 174 V CB 1.055 32.905 31.823 0.045 0.000 0.982 174 V HN 0.647 nan 8.190 nan 0.000 0.451 175 I N 3.509 124.108 120.570 0.047 0.000 2.433 175 I HA 0.401 4.571 4.170 -0.001 0.000 0.292 175 I C -0.500 175.644 176.117 0.045 0.000 1.001 175 I CA -0.776 60.552 61.300 0.046 0.000 1.119 175 I CB 2.014 40.042 38.000 0.048 0.000 1.289 175 I HN 0.474 nan 8.210 nan 0.000 0.438 176 D N 4.752 125.180 120.400 0.046 0.000 2.390 176 D HA 0.303 4.943 4.640 -0.001 0.000 0.249 176 D C 0.370 176.699 176.300 0.049 0.000 1.144 176 D CA 0.426 54.456 54.000 0.049 0.000 0.880 176 D CB 1.413 42.243 40.800 0.049 0.000 1.182 176 D HN 0.709 nan 8.370 nan 0.000 0.451 177 T N -1.617 112.969 114.554 0.053 0.000 2.590 177 T HA 0.640 4.990 4.350 -0.001 0.000 0.282 177 T C 0.517 175.256 174.700 0.064 0.000 0.989 177 T CA -0.934 61.197 62.100 0.050 0.000 1.091 177 T CB 0.747 69.637 68.868 0.037 0.000 1.460 177 T HN 0.217 nan 8.240 nan 0.000 0.499 178 G N -0.662 108.173 108.800 0.059 0.000 2.599 178 G HA2 0.432 4.391 3.960 -0.001 0.000 0.264 178 G HA3 0.432 4.391 3.960 -0.001 0.000 0.264 178 G C -1.038 173.930 174.900 0.113 0.000 1.200 178 G CA -0.558 44.591 45.100 0.082 0.000 0.896 178 G HN 0.693 nan 8.290 nan 0.000 0.536 179 Y N 0.992 121.306 120.300 0.023 0.000 2.511 179 Y HA 0.307 4.857 4.550 -0.001 0.000 0.332 179 Y C 0.931 176.856 175.900 0.042 0.000 1.177 179 Y CA 0.378 58.499 58.100 0.034 0.000 1.422 179 Y CB 0.518 38.999 38.460 0.035 0.000 1.271 179 Y HN 1.269 nan 8.280 nan 0.000 0.550 180 A N 3.941 126.353 122.820 -0.679 0.000 2.362 180 A HA -0.169 4.150 4.320 -0.001 0.000 0.290 180 A C 0.050 177.539 177.584 -0.159 0.000 1.441 180 A CA 0.573 52.327 52.037 -0.472 0.000 0.743 180 A CB -2.557 16.155 19.000 -0.479 0.000 1.125 180 A HN 0.674 nan 8.150 nan 0.000 0.378 181 V N 1.432 121.281 119.914 -0.109 0.000 2.752 181 V HA -0.086 4.034 4.120 -0.001 0.000 0.306 181 V C 1.716 177.798 176.094 -0.021 0.000 1.099 181 V CA 1.630 63.912 62.300 -0.029 0.000 1.240 181 V CB 0.479 32.292 31.823 -0.017 0.000 0.887 181 V HN 0.842 nan 8.190 nan 0.000 0.499 182 H N 4.042 123.092 119.070 -0.034 0.000 2.388 182 H HA 0.377 4.933 4.556 -0.001 0.000 0.304 182 H C 0.586 175.953 175.328 0.065 0.000 1.049 182 H CA 1.304 57.352 56.048 -0.000 0.000 1.371 182 H CB 0.478 30.226 29.762 -0.025 0.000 1.436 182 H HN 0.689 nan 8.280 nan 0.000 0.544 183 I N -3.298 117.331 120.570 0.098 0.000 3.191 183 I HA 0.567 4.737 4.170 -0.001 0.000 0.313 183 I C -1.125 174.801 176.117 -0.318 0.000 1.193 183 I CA -1.078 60.160 61.300 -0.105 0.000 0.968 183 I CB 2.734 40.619 38.000 -0.190 0.000 1.262 183 I HN -0.246 nan 8.210 nan 0.000 0.456 184 S N 1.816 116.981 115.700 -0.891 0.000 2.532 184 S HA 0.684 5.153 4.470 -0.001 0.000 0.299 184 S C -0.847 173.373 174.600 -0.634 0.000 1.105 184 S CA -0.762 57.098 58.200 -0.566 0.000 1.018 184 S CB 1.474 64.520 63.200 -0.256 0.000 1.021 184 S HN 0.438 nan 8.310 nan 0.000 0.483 185 R N 1.895 122.205 120.500 -0.316 0.000 2.750 185 R HA 0.539 4.878 4.340 -0.001 0.000 0.281 185 R C -0.999 175.228 176.300 -0.122 0.000 0.972 185 R CA -0.812 55.154 56.100 -0.223 0.000 0.912 185 R CB 1.387 31.579 30.300 -0.181 0.000 1.187 185 R HN 0.476 nan 8.270 nan 0.000 0.464 186 M N 1.033 120.580 119.600 -0.088 0.000 2.363 186 M HA 0.274 4.753 4.480 -0.001 0.000 0.343 186 M C 0.714 176.987 176.300 -0.045 0.000 1.165 186 M CA -0.625 54.643 55.300 -0.053 0.000 1.046 186 M CB 1.585 34.155 32.600 -0.050 0.000 1.648 186 M HN 0.699 nan 8.290 nan 0.000 0.452 187 S N 1.635 117.325 115.700 -0.017 0.000 2.596 187 S HA 0.392 4.862 4.470 -0.001 0.000 0.260 187 S C 1.207 175.786 174.600 -0.034 0.000 1.336 187 S CA -0.036 58.159 58.200 -0.007 0.000 0.993 187 S CB 0.475 63.707 63.200 0.053 0.000 0.923 187 S HN 0.727 nan 8.310 nan 0.000 0.567 188 A N 1.305 124.107 122.820 -0.030 0.000 1.972 188 A HA -0.014 4.306 4.320 -0.001 0.000 0.219 188 A C 2.307 179.867 177.584 -0.041 0.000 1.169 188 A CA 1.650 53.659 52.037 -0.047 0.000 0.635 188 A CB -1.434 17.553 19.000 -0.022 0.000 0.810 188 A HN 1.358 nan 8.150 nan 0.000 0.446 189 S N -1.681 114.005 115.700 -0.023 0.000 2.603 189 S HA 0.345 4.814 4.470 -0.001 0.000 0.220 189 S C 1.469 176.059 174.600 -0.018 0.000 0.967 189 S CA 0.977 59.166 58.200 -0.018 0.000 0.920 189 S CB -0.524 62.644 63.200 -0.054 0.000 0.773 189 S HN 1.857 nan 8.310 nan 0.000 0.529 190 G N 1.921 110.704 108.800 -0.029 0.000 2.175 190 G HA2 -0.399 3.561 3.960 -0.001 0.000 0.265 190 G HA3 -0.399 3.561 3.960 -0.001 0.000 0.265 190 G C 0.825 175.683 174.900 -0.069 0.000 0.979 190 G CA 0.718 45.818 45.100 0.000 0.000 0.663 190 G HN 0.628 nan 8.290 nan 0.000 0.533 191 R N -1.050 119.295 120.500 -0.259 0.000 2.074 191 R HA 0.247 4.587 4.340 -0.001 0.000 0.218 191 R C 0.426 176.365 176.300 -0.601 0.000 1.137 191 R CA 0.376 56.072 56.100 -0.673 0.000 0.998 191 R CB 0.109 29.604 30.300 -1.342 0.000 0.895 191 R HN 0.353 nan 8.270 nan 0.000 0.442 192 Y N 0.936 121.095 120.300 -0.234 0.000 2.308 192 Y HA 0.299 4.849 4.550 -0.001 0.000 0.329 192 Y C -0.346 175.496 175.900 -0.096 0.000 1.111 192 Y CA -0.989 57.021 58.100 -0.150 0.000 1.179 192 Y CB 1.411 39.787 38.460 -0.139 0.000 1.201 192 Y HN 0.047 nan 8.280 nan 0.000 0.483 193 L N 5.089 126.361 121.223 0.082 0.000 2.272 193 L HA 0.514 4.853 4.340 -0.001 0.000 0.289 193 L C -1.349 175.539 176.870 0.030 0.000 1.032 193 L CA -0.407 54.453 54.840 0.032 0.000 0.810 193 L CB 0.399 42.473 42.059 0.025 0.000 1.205 193 L HN 0.557 nan 8.230 nan 0.000 0.422 194 L N 6.506 127.721 121.223 -0.013 0.000 2.282 194 L HA 0.714 5.053 4.340 -0.001 0.000 0.288 194 L C -0.538 176.295 176.870 -0.061 0.000 1.033 194 L CA -0.867 53.953 54.840 -0.034 0.000 0.807 194 L CB 1.714 43.739 42.059 -0.058 0.000 1.209 194 L HN 0.556 nan 8.230 nan 0.000 0.423 195 V N 1.987 121.877 119.914 -0.039 0.000 2.876 195 V HA 0.682 4.802 4.120 -0.001 0.000 0.312 195 V C -0.842 175.233 176.094 -0.031 0.000 1.085 195 V CA -0.743 61.531 62.300 -0.043 0.000 0.945 195 V CB 2.419 34.235 31.823 -0.011 0.000 1.017 195 V HN 0.689 nan 8.190 nan 0.000 0.428 196 I N 2.247 122.798 120.570 -0.032 0.000 2.534 196 I HA 0.796 4.965 4.170 -0.001 0.000 0.288 196 I C 0.501 176.616 176.117 -0.002 0.000 1.077 196 I CA -0.292 60.994 61.300 -0.023 0.000 1.051 196 I CB 1.657 39.628 38.000 -0.048 0.000 1.234 196 I HN 1.053 nan 8.210 nan 0.000 0.425 197 G N 5.152 113.955 108.800 0.005 0.000 2.537 197 G HA2 0.247 4.207 3.960 -0.001 0.000 0.273 197 G HA3 0.247 4.207 3.960 -0.001 0.000 0.273 197 G C 0.675 175.584 174.900 0.015 0.000 1.189 197 G CA -0.655 44.457 45.100 0.021 0.000 0.881 197 G HN 0.866 nan 8.290 nan 0.000 0.535 198 R N -0.733 119.795 120.500 0.047 0.000 2.237 198 R HA -0.039 4.300 4.340 -0.001 0.000 0.219 198 R C 0.841 177.148 176.300 0.011 0.000 1.080 198 R CA 1.534 57.647 56.100 0.021 0.000 0.995 198 R CB -0.122 30.233 30.300 0.091 0.000 0.875 198 R HN 0.470 nan 8.270 nan 0.000 0.462 199 D N 0.404 120.828 120.400 0.040 0.000 2.336 199 D HA 0.125 4.764 4.640 -0.001 0.000 0.229 199 D C 0.808 177.057 176.300 -0.084 0.000 1.061 199 D CA 0.467 54.465 54.000 -0.004 0.000 0.875 199 D CB 0.520 41.337 40.800 0.030 0.000 0.904 199 D HN 0.326 nan 8.370 nan 0.000 0.525 200 A N -0.201 122.573 122.820 -0.076 0.000 3.080 200 A HA -0.286 4.034 4.320 -0.001 0.000 0.254 200 A C 0.741 178.280 177.584 -0.074 0.000 1.277 200 A CA 0.766 52.740 52.037 -0.106 0.000 1.065 200 A CB -2.437 16.450 19.000 -0.189 0.000 1.160 200 A HN 0.479 nan 8.150 nan 0.000 0.886 201 R N 0.415 120.895 120.500 -0.034 0.000 2.234 201 R HA 0.611 4.950 4.340 -0.001 0.000 0.324 201 R C -0.324 175.985 176.300 0.015 0.000 1.054 201 R CA -0.378 55.725 56.100 0.006 0.000 0.912 201 R CB 0.155 30.472 30.300 0.028 0.000 1.030 201 R HN 0.513 nan 8.270 nan 0.000 0.455 202 I N 3.659 124.245 120.570 0.027 0.000 2.437 202 I HA 0.264 4.434 4.170 -0.001 0.000 0.298 202 I C -0.259 175.881 176.117 0.038 0.000 0.984 202 I CA -0.546 60.766 61.300 0.019 0.000 1.214 202 I CB 1.816 39.822 38.000 0.009 0.000 1.365 202 I HN 0.502 nan 8.210 nan 0.000 0.469 203 D N 6.885 127.302 120.400 0.028 0.000 2.757 203 D HA 0.330 4.969 4.640 -0.001 0.000 0.249 203 D C -0.932 175.388 176.300 0.034 0.000 1.168 203 D CA -0.407 53.616 54.000 0.039 0.000 0.870 203 D CB 2.845 43.670 40.800 0.041 0.000 1.411 203 D HN 0.405 nan 8.370 nan 0.000 0.525 204 M N 3.257 122.883 119.600 0.043 0.000 2.180 204 M HA 0.442 4.921 4.480 -0.001 0.000 0.350 204 M C -1.443 174.915 176.300 0.096 0.000 1.125 204 M CA -0.367 54.962 55.300 0.048 0.000 1.031 204 M CB 0.797 33.398 32.600 0.001 0.000 1.623 204 M HN 0.314 nan 8.290 nan 0.000 0.451 205 I N 4.055 124.701 120.570 0.127 0.000 2.418 205 I HA 0.253 4.422 4.170 -0.001 0.000 0.287 205 I C -0.765 175.435 176.117 0.139 0.000 1.008 205 I CA -0.716 60.655 61.300 0.120 0.000 1.104 205 I CB 1.750 39.793 38.000 0.072 0.000 1.264 205 I HN 0.571 nan 8.210 nan 0.000 0.438 206 D N 6.481 126.948 120.400 0.111 0.000 2.316 206 D HA 0.223 4.862 4.640 -0.001 0.000 0.245 206 D C 0.608 176.873 176.300 -0.058 0.000 1.171 206 D CA 0.030 53.981 54.000 -0.083 0.000 0.856 206 D CB 1.237 42.034 40.800 -0.005 0.000 1.090 206 D HN 0.439 nan 8.370 nan 0.000 0.476 207 L N 3.099 124.249 121.223 -0.122 0.000 2.599 207 L HA 0.069 4.409 4.340 -0.001 0.000 0.230 207 L C 1.035 178.054 176.870 0.250 0.000 1.141 207 L CA -0.096 54.773 54.840 0.048 0.000 0.877 207 L CB 0.056 42.141 42.059 0.043 0.000 1.009 207 L HN 0.495 nan 8.230 nan 0.000 0.447 208 W N 0.431 121.661 121.300 -0.117 0.000 2.812 208 W HA 0.289 4.948 4.660 -0.001 0.000 0.263 208 W C 1.516 178.007 176.519 -0.046 0.000 1.284 208 W CA -0.828 56.465 57.345 -0.085 0.000 1.430 208 W CB -0.547 28.843 29.460 -0.116 0.000 1.088 208 W HN -0.067 nan 8.180 nan 0.000 0.623 209 A N 1.185 124.113 122.820 0.180 0.000 2.536 209 A HA -0.045 4.275 4.320 -0.001 0.000 0.234 209 A C 1.614 179.244 177.584 0.077 0.000 1.076 209 A CA 0.353 52.456 52.037 0.109 0.000 0.769 209 A CB 0.317 19.369 19.000 0.086 0.000 1.020 209 A HN 0.290 nan 8.150 nan 0.000 0.508 210 K N -0.151 120.281 120.400 0.053 0.000 2.127 210 K HA -0.175 4.144 4.320 -0.001 0.000 0.208 210 K C 0.554 177.177 176.600 0.039 0.000 1.047 210 K CA 1.971 58.279 56.287 0.035 0.000 0.927 210 K CB 0.056 32.572 32.500 0.027 0.000 0.716 210 K HN 0.775 nan 8.250 nan 0.000 0.450 211 E N 0.278 120.506 120.200 0.046 0.000 2.260 211 E HA 0.213 4.563 4.350 -0.001 0.000 0.266 211 E C -2.769 173.865 176.600 0.055 0.000 0.887 211 E CA -2.625 53.803 56.400 0.047 0.000 0.777 211 E CB 1.943 31.668 29.700 0.040 0.000 1.205 211 E HN -0.227 nan 8.360 nan 0.000 0.414 212 P HA -0.099 nan 4.420 nan 0.000 0.257 212 P C -0.986 176.348 177.300 0.057 0.000 1.162 212 P CA 0.787 63.924 63.100 0.062 0.000 0.762 212 P CB 0.300 32.036 31.700 0.060 0.000 0.753 213 T N 0.514 115.104 114.554 0.061 0.000 2.906 213 T HA 0.482 4.831 4.350 -0.001 0.000 0.295 213 T C -0.467 174.274 174.700 0.069 0.000 1.061 213 T CA -1.321 60.815 62.100 0.060 0.000 1.000 213 T CB 1.518 70.419 68.868 0.056 0.000 1.103 213 T HN 0.044 nan 8.240 nan 0.000 0.486 214 K N 1.382 121.819 120.400 0.062 0.000 2.322 214 K HA 0.375 4.695 4.320 -0.001 0.000 0.283 214 K C 1.110 177.750 176.600 0.066 0.000 1.042 214 K CA -0.424 55.903 56.287 0.066 0.000 0.958 214 K CB 1.104 33.635 32.500 0.052 0.000 0.984 214 K HN 0.560 nan 8.250 nan 0.000 0.473 215 V N -0.882 119.081 119.914 0.082 0.000 3.643 215 V HA 0.453 4.572 4.120 -0.001 0.000 0.280 215 V C 0.256 176.373 176.094 0.039 0.000 1.351 215 V CA 0.139 62.483 62.300 0.073 0.000 1.073 215 V CB -0.003 31.896 31.823 0.127 0.000 0.863 215 V HN 0.694 nan 8.190 nan 0.000 0.436 216 A N 0.761 123.607 122.820 0.044 0.000 2.583 216 A HA 0.755 5.074 4.320 -0.001 0.000 0.292 216 A C -1.010 176.621 177.584 0.078 0.000 1.045 216 A CA -0.059 52.010 52.037 0.053 0.000 0.672 216 A CB 1.379 20.436 19.000 0.095 0.000 1.283 216 A HN 0.720 nan 8.150 nan 0.000 0.419 217 E N 0.338 120.605 120.200 0.111 0.000 2.430 217 E HA 0.859 5.208 4.350 -0.001 0.000 0.279 217 E C -1.368 175.360 176.600 0.213 0.000 1.003 217 E CA -0.751 55.724 56.400 0.126 0.000 0.801 217 E CB 1.996 31.745 29.700 0.083 0.000 1.313 217 E HN 1.283 nan 8.360 nan 0.000 0.459 218 I N -0.079 120.600 120.570 0.183 0.000 2.897 218 I HA 0.333 4.502 4.170 -0.001 0.000 0.299 218 I C -2.117 174.103 176.117 0.172 0.000 1.527 218 I CA -0.687 60.750 61.300 0.229 0.000 0.979 218 I CB 2.172 40.316 38.000 0.239 0.000 1.360 218 I HN 0.652 nan 8.210 nan 0.000 0.495 219 K N 5.638 126.181 120.400 0.239 0.000 2.339 219 K HA 0.443 4.762 4.320 -0.001 0.000 0.264 219 K C 0.153 176.913 176.600 0.266 0.000 0.986 219 K CA -0.552 55.832 56.287 0.161 0.000 0.866 219 K CB 1.070 33.669 32.500 0.165 0.000 1.103 219 K HN 0.574 nan 8.250 nan 0.000 0.441 220 I N 0.396 121.006 120.570 0.066 0.000 3.875 220 I HA 0.400 4.569 4.170 -0.001 0.000 0.329 220 I C 0.435 176.529 176.117 -0.037 0.000 1.295 220 I CA -0.169 61.201 61.300 0.117 0.000 1.129 220 I CB 0.699 38.727 38.000 0.047 0.000 1.008 220 I HN 0.605 nan 8.210 nan 0.000 0.413 221 G N -0.004 108.454 108.800 -0.570 0.000 2.325 221 G HA2 0.271 4.231 3.960 -0.001 0.000 0.295 221 G HA3 0.271 4.231 3.960 -0.001 0.000 0.295 221 G C -0.213 174.197 174.900 -0.817 0.000 1.274 221 G CA -0.321 44.377 45.100 -0.670 0.000 0.857 221 G HN -0.118 nan 8.290 nan 0.000 0.499 222 I N 0.005 120.350 120.570 -0.374 0.000 2.480 222 I HA 0.220 4.390 4.170 -0.001 0.000 0.251 222 I C 0.986 177.043 176.117 -0.100 0.000 1.124 222 I CA 1.429 62.601 61.300 -0.214 0.000 1.444 222 I CB -0.356 37.717 38.000 0.121 0.000 1.098 222 I HN 0.687 nan 8.210 nan 0.000 0.428 223 E N 0.138 120.335 120.200 -0.005 0.000 2.352 223 E HA 0.651 5.001 4.350 -0.001 0.000 0.280 223 E C -1.590 175.010 176.600 0.000 0.000 0.930 223 E CA -0.541 55.874 56.400 0.025 0.000 0.765 223 E CB 2.692 32.475 29.700 0.138 0.000 1.219 223 E HN 0.094 nan 8.360 nan 0.000 0.434 224 A N 2.821 125.576 122.820 -0.109 0.000 2.588 224 A HA 0.699 5.019 4.320 -0.001 0.000 0.290 224 A C -0.544 176.839 177.584 -0.335 0.000 1.136 224 A CA -0.596 51.338 52.037 -0.172 0.000 0.681 224 A CB 1.674 20.615 19.000 -0.098 0.000 1.282 224 A HN 0.564 nan 8.150 nan 0.000 0.421 225 R N -0.550 119.746 120.500 -0.341 0.000 2.561 225 R HA 0.215 4.554 4.340 -0.001 0.000 0.213 225 R C 0.346 176.526 176.300 -0.200 0.000 0.885 225 R CA 1.163 57.023 56.100 -0.401 0.000 1.002 225 R CB 0.190 30.104 30.300 -0.643 0.000 1.432 225 R HN 0.915 nan 8.270 nan 0.000 0.651 226 S N -0.145 115.467 115.700 -0.147 0.000 2.600 226 S HA 0.728 5.197 4.470 -0.001 0.000 0.300 226 S C -0.536 173.985 174.600 -0.131 0.000 1.087 226 S CA -0.696 57.429 58.200 -0.124 0.000 0.965 226 S CB 2.693 65.819 63.200 -0.124 0.000 1.089 226 S HN -0.074 nan 8.310 nan 0.000 0.496 227 V N 0.536 120.361 119.914 -0.148 0.000 3.012 227 V HA 0.886 5.006 4.120 -0.001 0.000 0.307 227 V C -1.768 174.214 176.094 -0.186 0.000 1.166 227 V CA -0.295 61.905 62.300 -0.166 0.000 0.974 227 V CB 2.152 33.896 31.823 -0.131 0.000 1.040 227 V HN 1.213 nan 8.190 nan 0.000 0.428 228 E N 2.946 123.010 120.200 -0.225 0.000 2.430 228 E HA 0.736 5.085 4.350 -0.001 0.000 0.279 228 E C -1.707 174.813 176.600 -0.133 0.000 1.003 228 E CA -0.273 56.020 56.400 -0.178 0.000 0.801 228 E CB 2.478 32.064 29.700 -0.191 0.000 1.313 228 E HN 0.797 nan 8.360 nan 0.000 0.459 229 S N 0.637 116.353 115.700 0.026 0.000 2.536 229 S HA 0.590 5.059 4.470 -0.001 0.000 0.298 229 S C -1.046 173.702 174.600 0.247 0.000 1.083 229 S CA -0.339 57.920 58.200 0.098 0.000 0.995 229 S CB 0.739 63.946 63.200 0.011 0.000 1.058 229 S HN 0.640 nan 8.310 nan 0.000 0.488 230 S N 3.115 118.925 115.700 0.184 0.000 2.516 230 S HA 0.299 4.769 4.470 -0.001 0.000 0.282 230 S C 0.189 174.780 174.600 -0.015 0.000 1.286 230 S CA -0.281 57.873 58.200 -0.077 0.000 1.066 230 S CB 0.430 63.390 63.200 -0.400 0.000 0.884 230 S HN 0.759 nan 8.310 nan 0.000 0.491 231 K N 1.234 121.606 120.400 -0.047 0.000 2.413 231 K HA 0.210 4.530 4.320 -0.001 0.000 0.204 231 K C -0.400 176.162 176.600 -0.062 0.000 1.041 231 K CA -0.310 55.917 56.287 -0.099 0.000 1.082 231 K CB 0.296 32.643 32.500 -0.254 0.000 0.871 231 K HN 0.652 nan 8.250 nan 0.000 0.535 232 F N 3.167 123.064 119.950 -0.088 0.000 2.429 232 F HA 0.097 4.623 4.527 -0.001 0.000 0.348 232 F C 0.458 176.345 175.800 0.146 0.000 1.109 232 F CA -0.681 57.299 58.000 -0.035 0.000 1.232 232 F CB 0.591 39.505 39.000 -0.143 0.000 1.157 232 F HN -0.267 nan 8.300 nan 0.000 0.564 233 K N 4.278 124.287 120.400 -0.652 0.000 2.473 233 K HA 0.127 4.446 4.320 -0.001 0.000 0.277 233 K C 0.946 177.494 176.600 -0.086 0.000 1.052 233 K CA 1.007 57.057 56.287 -0.395 0.000 1.114 233 K CB -0.580 31.586 32.500 -0.558 0.000 0.869 233 K HN 1.022 nan 8.250 nan 0.000 0.481 234 G N 2.926 111.715 108.800 -0.017 0.000 2.175 234 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.244 234 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.244 234 G C 0.005 174.802 174.900 -0.172 0.000 0.982 234 G CA -0.064 44.984 45.100 -0.085 0.000 0.641 234 G HN 0.571 nan 8.290 nan 0.000 0.527 235 Y N 1.291 121.620 120.300 0.049 0.000 2.716 235 Y HA 0.392 4.941 4.550 -0.001 0.000 0.260 235 Y C 0.876 176.749 175.900 -0.045 0.000 1.141 235 Y CA -0.904 57.221 58.100 0.042 0.000 1.168 235 Y CB 0.375 38.966 38.460 0.219 0.000 1.189 235 Y HN 0.313 nan 8.280 nan 0.000 0.549 236 E N 1.485 121.719 120.200 0.056 0.000 2.415 236 E HA -0.057 4.292 4.350 -0.001 0.000 0.263 236 E C -0.162 176.417 176.600 -0.036 0.000 0.995 236 E CA 0.504 56.908 56.400 0.007 0.000 0.915 236 E CB 0.262 29.961 29.700 -0.002 0.000 0.951 236 E HN 0.336 nan 8.360 nan 0.000 0.449 237 D N 1.914 122.286 120.400 -0.047 0.000 3.039 237 D HA -0.239 4.401 4.640 -0.001 0.000 0.222 237 D C 0.921 177.119 176.300 -0.170 0.000 1.179 237 D CA 0.676 54.621 54.000 -0.092 0.000 0.880 237 D CB -0.405 40.353 40.800 -0.069 0.000 1.115 237 D HN 0.435 nan 8.370 nan 0.000 0.416 238 R N -0.901 119.471 120.500 -0.212 0.000 2.062 238 R HA 0.032 4.372 4.340 -0.001 0.000 0.226 238 R C 0.521 176.386 176.300 -0.724 0.000 1.125 238 R CA 1.253 57.069 56.100 -0.474 0.000 0.966 238 R CB 0.051 30.074 30.300 -0.462 0.000 0.861 238 R HN 0.300 nan 8.270 nan 0.000 0.433 239 Y N -1.225 119.016 120.300 -0.097 0.000 2.524 239 Y HA 0.360 4.909 4.550 -0.002 0.000 0.347 239 Y C -0.250 175.630 175.900 -0.034 0.000 1.005 239 Y CA -0.932 57.118 58.100 -0.083 0.000 1.025 239 Y CB 2.107 40.489 38.460 -0.129 0.000 1.275 239 Y HN -0.271 nan 8.280 nan 0.000 0.460 240 T N 4.076 118.683 114.554 0.088 0.000 2.841 240 T HA 0.654 5.004 4.350 -0.001 0.000 0.283 240 T C -1.158 173.412 174.700 -0.218 0.000 1.000 240 T CA -0.531 61.523 62.100 -0.076 0.000 0.977 240 T CB 1.290 70.109 68.868 -0.082 0.000 0.979 240 T HN 0.580 nan 8.240 nan 0.000 0.446 241 I N 1.904 122.200 120.570 -0.456 0.000 2.689 241 I HA 0.832 5.001 4.170 -0.001 0.000 0.299 241 I C -1.368 174.542 176.117 -0.345 0.000 1.059 241 I CA -0.931 60.060 61.300 -0.516 0.000 1.055 241 I CB 1.528 38.872 38.000 -1.092 0.000 1.243 241 I HN 0.781 nan 8.210 nan 0.000 0.425 242 A N 4.272 126.972 122.820 -0.199 0.000 2.515 242 A HA 0.816 5.135 4.320 -0.001 0.000 0.298 242 A C -0.785 176.774 177.584 -0.042 0.000 1.059 242 A CA -0.394 51.566 52.037 -0.128 0.000 0.698 242 A CB 1.577 20.526 19.000 -0.086 0.000 1.289 242 A HN 0.851 nan 8.150 nan 0.000 0.404 243 G N -0.106 108.668 108.800 -0.043 0.000 2.400 243 G HA2 0.744 4.703 3.960 -0.001 0.000 0.333 243 G HA3 0.744 4.703 3.960 -0.001 0.000 0.333 243 G C -0.335 174.590 174.900 0.042 0.000 1.143 243 G CA 0.116 45.238 45.100 0.036 0.000 0.914 243 G HN 1.638 nan 8.290 nan 0.000 0.480 244 A N 1.047 123.918 122.820 0.086 0.000 2.350 244 A HA 0.652 4.971 4.320 -0.001 0.000 0.324 244 A C 0.013 177.739 177.584 0.235 0.000 1.118 244 A CA -0.641 51.453 52.037 0.095 0.000 0.783 244 A CB 1.161 20.169 19.000 0.014 0.000 1.236 244 A HN 0.639 nan 8.150 nan 0.000 0.457 245 Y N 0.604 120.934 120.300 0.049 0.000 2.176 245 Y HA 0.065 4.615 4.550 -0.001 0.000 0.291 245 Y C 0.805 176.844 175.900 0.233 0.000 1.122 245 Y CA 0.760 58.936 58.100 0.128 0.000 1.128 245 Y CB 0.152 38.699 38.460 0.144 0.000 1.005 245 Y HN 0.693 nan 8.280 nan 0.000 0.509 246 W N 1.612 123.032 121.300 0.200 0.000 2.900 246 W HA 0.318 4.978 4.660 0.000 0.000 0.336 246 W C -3.089 173.470 176.519 0.066 0.000 1.064 246 W CA -2.321 55.098 57.345 0.123 0.000 1.237 246 W CB 2.022 31.562 29.460 0.133 0.000 1.391 246 W HN -0.136 nan 8.180 nan 0.000 0.468 247 P HA 0.168 nan 4.420 nan 0.000 0.272 247 P C -2.549 174.407 177.300 -0.573 0.000 1.240 247 P CA -0.996 61.330 63.100 -1.291 0.000 0.791 247 P CB 0.242 31.441 31.700 -0.835 0.000 0.978 248 P HA 0.061 nan 4.420 nan 0.000 0.266 248 P C -0.694 176.504 177.300 -0.171 0.000 1.419 248 P CA 0.565 63.549 63.100 -0.194 0.000 1.112 248 P CB -0.397 31.226 31.700 -0.128 0.000 1.438 249 Q N 2.633 122.365 119.800 -0.112 0.000 2.804 249 Q HA 0.654 4.993 4.340 -0.001 0.000 0.302 249 Q C -1.590 174.394 176.000 -0.026 0.000 0.885 249 Q CA -1.014 54.700 55.803 -0.148 0.000 0.759 249 Q CB 1.187 29.801 28.738 -0.208 0.000 1.465 249 Q HN 0.191 nan 8.270 nan 0.000 0.432 250 F N -1.308 118.597 119.950 -0.075 0.000 2.601 250 F HA 0.966 5.493 4.527 -0.001 0.000 0.309 250 F C -1.585 174.160 175.800 -0.092 0.000 1.089 250 F CA -0.825 57.121 58.000 -0.090 0.000 0.940 250 F CB 1.769 40.703 39.000 -0.110 0.000 1.273 250 F HN 0.834 nan 8.300 nan 0.000 0.450 251 A N 3.357 126.255 122.820 0.130 0.000 2.365 251 A HA 0.858 5.177 4.320 -0.001 0.000 0.318 251 A C -1.251 176.356 177.584 0.039 0.000 1.091 251 A CA -0.855 51.201 52.037 0.031 0.000 0.763 251 A CB 1.103 20.098 19.000 -0.009 0.000 1.248 251 A HN 0.812 nan 8.150 nan 0.000 0.442 252 I N 2.094 122.666 120.570 0.003 0.000 2.378 252 I HA 0.450 4.620 4.170 -0.001 0.000 0.291 252 I C -0.332 175.746 176.117 -0.065 0.000 0.992 252 I CA -0.104 61.169 61.300 -0.045 0.000 1.154 252 I CB 1.812 39.787 38.000 -0.041 0.000 1.315 252 I HN 0.693 nan 8.210 nan 0.000 0.448 253 M N 3.792 123.366 119.600 -0.043 0.000 2.755 253 M HA 0.373 4.853 4.480 -0.001 0.000 0.298 253 M C -0.437 175.904 176.300 0.068 0.000 1.251 253 M CA -0.784 54.484 55.300 -0.053 0.000 0.817 253 M CB 1.475 34.009 32.600 -0.109 0.000 1.760 253 M HN 0.386 nan 8.290 nan 0.000 0.473 254 D N 0.576 120.972 120.400 -0.008 0.000 2.390 254 D HA 0.094 4.733 4.640 -0.001 0.000 0.249 254 D C 0.695 176.966 176.300 -0.048 0.000 1.144 254 D CA 0.314 54.319 54.000 0.009 0.000 0.880 254 D CB 1.479 42.250 40.800 -0.048 0.000 1.182 254 D HN 0.813 nan 8.370 nan 0.000 0.451 255 G N 3.336 112.074 108.800 -0.103 0.000 2.848 255 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.208 255 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.208 255 G C 1.106 175.870 174.900 -0.227 0.000 1.152 255 G CA 0.157 45.167 45.100 -0.149 0.000 0.789 255 G HN 0.498 nan 8.290 nan 0.000 0.531 256 E N -0.359 119.725 120.200 -0.192 0.000 2.330 256 E HA -0.018 4.332 4.350 -0.001 0.000 0.200 256 E C 2.402 178.907 176.600 -0.158 0.000 0.922 256 E CA 1.337 57.594 56.400 -0.238 0.000 0.935 256 E CB 0.407 30.024 29.700 -0.139 0.000 0.917 256 E HN 0.513 nan 8.360 nan 0.000 0.491 257 T N -2.414 112.126 114.554 -0.024 0.000 2.975 257 T HA 0.243 4.592 4.350 -0.001 0.000 0.257 257 T C 1.090 175.959 174.700 0.283 0.000 1.003 257 T CA -0.215 61.973 62.100 0.147 0.000 0.932 257 T CB 0.486 69.532 68.868 0.296 0.000 1.087 257 T HN 0.096 nan 8.240 nan 0.000 0.512 258 L N 0.698 121.969 121.223 0.079 0.000 4.140 258 L HA -0.135 4.204 4.340 -0.001 0.000 0.406 258 L C 0.175 176.866 176.870 -0.298 0.000 1.175 258 L CA 0.372 55.216 54.840 0.006 0.000 0.939 258 L CB -1.662 40.472 42.059 0.125 0.000 2.105 258 L HN 0.598 nan 8.230 nan 0.000 0.803 259 E N 3.719 123.636 120.200 -0.470 0.000 2.299 259 E HA 0.184 4.533 4.350 -0.001 0.000 0.272 259 E C -1.899 174.292 176.600 -0.681 0.000 1.043 259 E CA -1.566 54.119 56.400 -1.191 0.000 0.895 259 E CB 0.836 29.991 29.700 -0.908 0.000 1.011 259 E HN 0.079 nan 8.360 nan 0.000 0.432 260 P HA -0.050 nan 4.420 nan 0.000 0.267 260 P C -0.607 176.537 177.300 -0.259 0.000 1.209 260 P CA 0.080 62.977 63.100 -0.338 0.000 0.763 260 P CB 1.157 32.695 31.700 -0.271 0.000 0.816 261 K N 1.522 121.823 120.400 -0.164 0.000 2.362 261 K HA 0.180 4.500 4.320 -0.001 0.000 0.203 261 K C 0.707 177.247 176.600 -0.100 0.000 1.198 261 K CA 0.794 57.011 56.287 -0.117 0.000 0.908 261 K CB 0.344 32.799 32.500 -0.074 0.000 1.236 261 K HN 0.487 nan 8.250 nan 0.000 0.487 262 Q N 0.373 120.114 119.800 -0.097 0.000 2.359 262 Q HA 0.523 4.862 4.340 -0.001 0.000 0.274 262 Q C -0.827 175.104 176.000 -0.115 0.000 1.074 262 Q CA -0.373 55.373 55.803 -0.095 0.000 0.810 262 Q CB 2.880 31.574 28.738 -0.073 0.000 1.342 262 Q HN 0.109 nan 8.270 nan 0.000 0.427 263 I N 1.222 121.698 120.570 -0.157 0.000 2.499 263 I HA 0.520 4.690 4.170 -0.001 0.000 0.288 263 I C -0.642 175.279 176.117 -0.327 0.000 1.048 263 I CA -1.066 60.100 61.300 -0.223 0.000 1.062 263 I CB 2.207 40.112 38.000 -0.159 0.000 1.238 263 I HN 0.124 nan 8.210 nan 0.000 0.426 264 V N 4.149 123.703 119.914 -0.600 0.000 2.531 264 V HA 0.301 4.420 4.120 -0.001 0.000 0.301 264 V C 0.145 175.886 176.094 -0.588 0.000 1.034 264 V CA -0.599 61.313 62.300 -0.646 0.000 0.865 264 V CB 1.921 33.187 31.823 -0.929 0.000 0.995 264 V HN 0.823 nan 8.190 nan 0.000 0.424 265 S N 2.753 118.264 115.700 -0.316 0.000 2.564 265 S HA 0.226 4.696 4.470 -0.001 0.000 0.278 265 S C 1.096 175.604 174.600 -0.152 0.000 1.333 265 S CA 0.339 58.413 58.200 -0.211 0.000 1.048 265 S CB 0.934 64.059 63.200 -0.125 0.000 0.900 265 S HN 1.051 nan 8.310 nan 0.000 0.505 266 T N 1.969 116.464 114.554 -0.098 0.000 3.129 266 T HA 0.350 4.699 4.350 -0.001 0.000 0.267 266 T C 0.381 175.071 174.700 -0.016 0.000 1.018 266 T CA -0.435 61.653 62.100 -0.021 0.000 0.903 266 T CB -0.110 68.776 68.868 0.030 0.000 1.067 266 T HN 0.530 nan 8.240 nan 0.000 0.549 267 R N 1.076 121.569 120.500 -0.011 0.000 2.489 267 R HA 0.583 4.922 4.340 -0.001 0.000 0.287 267 R C 0.763 177.111 176.300 0.079 0.000 1.053 267 R CA 0.814 56.924 56.100 0.016 0.000 1.036 267 R CB 0.522 30.885 30.300 0.105 0.000 0.966 267 R HN 0.574 nan 8.270 nan 0.000 0.432 268 G N 1.534 110.338 108.800 0.008 0.000 2.427 268 G HA2 0.238 4.198 3.960 -0.001 0.000 0.306 268 G HA3 0.238 4.198 3.960 -0.001 0.000 0.306 268 G C -1.388 173.550 174.900 0.064 0.000 1.280 268 G CA -0.945 44.222 45.100 0.111 0.000 0.837 268 G HN 0.218 nan 8.290 nan 0.000 0.482 269 M N 1.720 121.382 119.600 0.103 0.000 2.242 269 M HA 0.362 4.841 4.480 -0.001 0.000 0.344 269 M C 1.027 177.334 176.300 0.012 0.000 1.140 269 M CA -0.518 54.829 55.300 0.077 0.000 1.160 269 M CB 0.381 33.027 32.600 0.077 0.000 1.491 269 M HN 0.761 nan 8.290 nan 0.000 0.459 270 T N -1.432 113.124 114.554 0.003 0.000 2.904 270 T HA 0.337 4.686 4.350 -0.001 0.000 0.290 270 T C 1.093 175.773 174.700 -0.033 0.000 1.018 270 T CA -0.879 61.195 62.100 -0.043 0.000 1.075 270 T CB 1.468 70.312 68.868 -0.040 0.000 0.986 270 T HN 0.466 nan 8.240 nan 0.000 0.523 271 V N 1.475 121.355 119.914 -0.057 0.000 2.453 271 V HA -0.100 4.019 4.120 -0.001 0.000 0.247 271 V C 2.179 178.260 176.094 -0.022 0.000 1.048 271 V CA 2.504 64.781 62.300 -0.038 0.000 1.049 271 V CB -0.799 30.994 31.823 -0.049 0.000 0.672 271 V HN 1.055 nan 8.190 nan 0.000 0.457 272 D N -0.218 120.168 120.400 -0.023 0.000 2.107 272 D HA -0.147 4.493 4.640 -0.001 0.000 0.204 272 D C 2.019 178.324 176.300 0.008 0.000 0.978 272 D CA 2.245 56.243 54.000 -0.003 0.000 0.852 272 D CB -1.190 39.613 40.800 0.005 0.000 1.008 272 D HN 0.559 nan 8.370 nan 0.000 0.458 273 T N -3.666 110.896 114.554 0.013 0.000 3.051 273 T HA 0.062 4.411 4.350 -0.001 0.000 0.255 273 T C 0.825 175.539 174.700 0.025 0.000 1.085 273 T CA 0.294 62.408 62.100 0.023 0.000 1.109 273 T CB -0.356 68.532 68.868 0.034 0.000 0.921 273 T HN 0.264 nan 8.240 nan 0.000 0.488 274 Q N 1.776 121.589 119.800 0.021 0.000 2.470 274 Q HA -0.137 4.203 4.340 -0.001 0.000 0.294 274 Q C -0.497 175.532 176.000 0.048 0.000 1.356 274 Q CA 0.705 56.525 55.803 0.029 0.000 0.805 274 Q CB -2.161 26.590 28.738 0.022 0.000 1.157 274 Q HN 0.890 nan 8.270 nan 0.000 0.431 275 T N -3.571 111.019 114.554 0.060 0.000 2.942 275 T HA 0.526 4.876 4.350 -0.001 0.000 0.289 275 T C -0.578 174.199 174.700 0.127 0.000 1.044 275 T CA -0.896 61.257 62.100 0.089 0.000 1.023 275 T CB 1.346 70.258 68.868 0.074 0.000 1.123 275 T HN 0.239 nan 8.240 nan 0.000 0.512 276 Y N 2.056 122.373 120.300 0.028 0.000 2.442 276 Y HA 0.282 4.831 4.550 -0.001 0.000 0.330 276 Y C 0.257 176.187 175.900 0.049 0.000 1.129 276 Y CA -0.183 57.939 58.100 0.036 0.000 1.365 276 Y CB 0.199 38.668 38.460 0.015 0.000 1.233 276 Y HN 0.784 nan 8.280 nan 0.000 0.529 277 H N 9.047 127.706 119.070 -0.684 0.000 2.638 277 H HA 0.269 4.824 4.556 -0.001 0.000 0.317 277 H C -2.150 172.689 175.328 -0.816 0.000 1.006 277 H CA -2.394 53.328 56.048 -0.542 0.000 1.222 277 H CB 2.101 31.694 29.762 -0.281 0.000 1.419 277 H HN 0.525 nan 8.280 nan 0.000 0.489 278 P HA -0.020 nan 4.420 nan 0.000 0.242 278 P C 0.102 177.447 177.300 0.074 0.000 1.197 278 P CA 0.704 63.644 63.100 -0.267 0.000 0.765 278 P CB 0.527 32.217 31.700 -0.017 0.000 0.936 279 E N 0.216 120.546 120.200 0.216 0.000 3.711 279 E HA 0.249 4.599 4.350 -0.001 0.000 0.267 279 E C -2.793 173.962 176.600 0.257 0.000 1.198 279 E CA -1.629 54.976 56.400 0.342 0.000 1.150 279 E CB 0.892 30.855 29.700 0.439 0.000 1.297 279 E HN 0.032 nan 8.360 nan 0.000 0.399 280 P HA 0.218 nan 4.420 nan 0.000 0.274 280 P C -0.877 176.378 177.300 -0.074 0.000 1.504 280 P CA -0.346 62.685 63.100 -0.114 0.000 1.011 280 P CB 0.161 31.780 31.700 -0.135 0.000 1.366 281 R N 1.562 121.997 120.500 -0.108 0.000 2.623 281 R HA 0.212 4.552 4.340 -0.001 0.000 0.271 281 R C 0.011 176.266 176.300 -0.075 0.000 1.043 281 R CA -0.337 55.681 56.100 -0.137 0.000 1.083 281 R CB 0.228 30.213 30.300 -0.525 0.000 0.974 281 R HN 0.195 nan 8.270 nan 0.000 0.436 282 V N 3.257 123.207 119.914 0.061 0.000 2.461 282 V HA 0.294 4.414 4.120 -0.001 0.000 0.275 282 V C 0.694 176.878 176.094 0.149 0.000 1.047 282 V CA 0.144 62.495 62.300 0.084 0.000 0.955 282 V CB 0.864 32.754 31.823 0.112 0.000 0.988 282 V HN 1.005 nan 8.190 nan 0.000 0.471 283 A N 4.889 127.744 122.820 0.059 0.000 3.774 283 A HA 0.901 5.221 4.320 -0.001 0.000 0.171 283 A C 0.933 178.488 177.584 -0.047 0.000 1.655 283 A CA 0.154 52.206 52.037 0.026 0.000 1.543 283 A CB -0.444 18.520 19.000 -0.059 0.000 1.659 283 A HN 1.119 nan 8.150 nan 0.000 0.636 284 A N -0.661 122.114 122.820 -0.075 0.000 2.520 284 A HA 0.475 4.794 4.320 -0.001 0.000 0.235 284 A C -0.295 177.242 177.584 -0.079 0.000 1.065 284 A CA 0.623 52.636 52.037 -0.040 0.000 0.764 284 A CB -0.615 18.426 19.000 0.068 0.000 1.002 284 A HN 0.552 nan 8.150 nan 0.000 0.502 285 I N 1.658 122.140 120.570 -0.146 0.000 2.569 285 I HA 0.492 4.661 4.170 -0.001 0.000 0.290 285 I C -0.690 175.263 176.117 -0.274 0.000 1.088 285 I CA -0.175 60.975 61.300 -0.250 0.000 1.047 285 I CB 1.933 39.772 38.000 -0.269 0.000 1.237 285 I HN 0.669 nan 8.210 nan 0.000 0.421 286 I N 4.562 124.893 120.570 -0.399 0.000 2.569 286 I HA 0.672 4.841 4.170 -0.001 0.000 0.290 286 I C -0.285 175.717 176.117 -0.191 0.000 1.088 286 I CA -0.451 60.616 61.300 -0.389 0.000 1.047 286 I CB 1.762 39.284 38.000 -0.797 0.000 1.237 286 I HN 0.714 nan 8.210 nan 0.000 0.421 287 A N 5.014 127.853 122.820 0.032 0.000 2.440 287 A HA 0.436 4.756 4.320 -0.001 0.000 0.251 287 A C 0.053 177.717 177.584 0.132 0.000 1.089 287 A CA 0.010 52.113 52.037 0.110 0.000 0.779 287 A CB 0.606 19.655 19.000 0.082 0.000 1.022 287 A HN 0.712 nan 8.150 nan 0.000 0.492 288 S N 0.359 116.094 115.700 0.057 0.000 2.565 288 S HA 0.252 4.721 4.470 -0.001 0.000 0.274 288 S C 0.667 175.291 174.600 0.040 0.000 1.309 288 S CA -0.454 57.853 58.200 0.178 0.000 1.043 288 S CB 0.080 63.299 63.200 0.031 0.000 0.939 288 S HN 0.715 nan 8.310 nan 0.000 0.504 289 H N 2.293 121.420 119.070 0.095 0.000 2.705 289 H HA 0.227 4.783 4.556 -0.001 0.000 0.269 289 H C 0.931 176.307 175.328 0.080 0.000 0.998 289 H CA -0.011 56.065 56.048 0.046 0.000 1.193 289 H CB 0.661 30.324 29.762 -0.165 0.000 1.485 289 H HN 0.625 nan 8.280 nan 0.000 0.521 290 E N 0.204 120.442 120.200 0.063 0.000 2.127 290 E HA 0.058 4.408 4.350 -0.001 0.000 0.191 290 E C 0.388 176.713 176.600 -0.458 0.000 0.964 290 E CA 0.746 57.034 56.400 -0.187 0.000 0.832 290 E CB 0.654 30.158 29.700 -0.326 0.000 0.790 290 E HN 0.510 nan 8.360 nan 0.000 0.465 291 H N -0.902 118.004 119.070 -0.273 0.000 2.946 291 H HA 0.254 4.809 4.556 -0.001 0.000 0.365 291 H C -2.359 172.194 175.328 -1.291 0.000 1.197 291 H CA -2.076 53.454 56.048 -0.864 0.000 1.131 291 H CB 1.866 31.315 29.762 -0.523 0.000 1.849 291 H HN -0.163 nan 8.280 nan 0.000 0.555 292 P HA 0.177 nan 4.420 nan 0.000 0.244 292 P C -0.632 175.629 177.300 -1.731 0.000 1.769 292 P CA 0.328 62.400 63.100 -1.713 0.000 1.102 292 P CB 0.151 30.823 31.700 -1.713 0.000 1.937 293 E N 0.950 120.506 120.200 -1.074 0.000 2.449 293 E HA 0.591 4.940 4.350 -0.001 0.000 0.278 293 E C -1.207 175.143 176.600 -0.417 0.000 0.992 293 E CA -0.700 55.299 56.400 -0.669 0.000 0.807 293 E CB 1.351 30.817 29.700 -0.391 0.000 1.350 293 E HN 0.063 nan 8.360 nan 0.000 0.462 294 F N 1.041 120.942 119.950 -0.082 0.000 2.507 294 F HA 0.477 5.003 4.527 -0.001 0.000 0.325 294 F C -0.228 175.420 175.800 -0.254 0.000 1.116 294 F CA -0.659 57.256 58.000 -0.142 0.000 0.930 294 F CB 1.129 40.025 39.000 -0.172 0.000 1.146 294 F HN 0.196 nan 8.300 nan 0.000 0.447 295 I N 4.539 125.025 120.570 -0.140 0.000 2.297 295 I HA 0.360 4.530 4.170 -0.001 0.000 0.291 295 I C -0.777 175.126 176.117 -0.357 0.000 1.033 295 I CA -0.643 60.475 61.300 -0.303 0.000 1.253 295 I CB 0.828 38.519 38.000 -0.515 0.000 1.396 295 I HN 0.181 nan 8.210 nan 0.000 0.476 296 V N 5.958 125.707 119.914 -0.276 0.000 2.547 296 V HA 0.374 4.493 4.120 -0.001 0.000 0.299 296 V C -0.062 175.949 176.094 -0.138 0.000 1.040 296 V CA -0.834 61.307 62.300 -0.265 0.000 0.913 296 V CB 1.877 33.460 31.823 -0.400 0.000 0.992 296 V HN 0.594 nan 8.190 nan 0.000 0.449 297 N N 2.243 120.896 118.700 -0.078 0.000 2.419 297 N HA 0.493 5.233 4.740 -0.001 0.000 0.277 297 N C -0.835 174.660 175.510 -0.026 0.000 1.006 297 N CA -0.258 52.786 53.050 -0.009 0.000 0.923 297 N CB 1.943 40.457 38.487 0.045 0.000 1.140 297 N HN 0.420 nan 8.380 nan 0.000 0.488 298 V N 3.726 123.618 119.914 -0.035 0.000 2.275 298 V HA 0.161 4.280 4.120 -0.001 0.000 0.272 298 V C 1.575 177.602 176.094 -0.113 0.000 1.028 298 V CA -0.683 61.583 62.300 -0.056 0.000 0.810 298 V CB 1.034 32.831 31.823 -0.044 0.000 1.043 298 V HN 0.686 nan 8.190 nan 0.000 0.453 299 K N 3.573 123.904 120.400 -0.115 0.000 1.990 299 K HA -0.274 4.046 4.320 -0.001 0.000 0.225 299 K C 1.686 178.058 176.600 -0.379 0.000 1.053 299 K CA 2.662 58.860 56.287 -0.148 0.000 0.982 299 K CB 0.104 32.543 32.500 -0.102 0.000 0.734 299 K HN 0.661 nan 8.250 nan 0.000 0.448 300 E N -0.618 119.282 120.200 -0.500 0.000 2.153 300 E HA -0.117 4.232 4.350 -0.001 0.000 0.194 300 E C 1.831 177.996 176.600 -0.724 0.000 0.988 300 E CA 1.850 57.732 56.400 -0.864 0.000 0.811 300 E CB -0.003 29.050 29.700 -1.079 0.000 0.746 300 E HN 0.670 nan 8.360 nan 0.000 0.466 301 T N -3.417 110.861 114.554 -0.460 0.000 3.067 301 T HA 0.193 4.542 4.350 -0.001 0.000 0.257 301 T C 1.454 176.022 174.700 -0.220 0.000 1.105 301 T CA 0.190 62.117 62.100 -0.289 0.000 1.104 301 T CB 0.149 68.911 68.868 -0.177 0.000 0.925 301 T HN 0.213 nan 8.240 nan 0.000 0.498 302 G N 1.330 109.991 108.800 -0.233 0.000 2.351 302 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.297 302 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.297 302 G C -0.372 174.474 174.900 -0.090 0.000 1.054 302 G CA -0.161 44.849 45.100 -0.151 0.000 1.123 302 G HN 0.627 nan 8.290 nan 0.000 0.512 303 K N -0.793 119.561 120.400 -0.077 0.000 2.378 303 K HA 0.694 5.013 4.320 -0.001 0.000 0.252 303 K C -0.187 176.394 176.600 -0.031 0.000 0.931 303 K CA -0.677 55.582 56.287 -0.047 0.000 0.794 303 K CB 2.384 34.859 32.500 -0.042 0.000 1.181 303 K HN 0.167 nan 8.250 nan 0.000 0.425 304 V N 5.368 125.269 119.914 -0.021 0.000 2.313 304 V HA 0.387 4.506 4.120 -0.001 0.000 0.278 304 V C -0.539 175.532 176.094 -0.040 0.000 1.017 304 V CA -0.818 61.472 62.300 -0.016 0.000 0.823 304 V CB 0.611 32.447 31.823 0.022 0.000 1.010 304 V HN 0.555 nan 8.190 nan 0.000 0.443 305 L N 5.946 127.130 121.223 -0.064 0.000 2.292 305 L HA 0.530 4.869 4.340 -0.001 0.000 0.284 305 L C -0.295 176.508 176.870 -0.112 0.000 1.065 305 L CA -0.418 54.380 54.840 -0.072 0.000 0.806 305 L CB 1.155 43.183 42.059 -0.052 0.000 1.175 305 L HN 0.419 nan 8.230 nan 0.000 0.431 306 L N 4.856 126.021 121.223 -0.097 0.000 2.321 306 L HA 0.322 4.661 4.340 -0.001 0.000 0.272 306 L C -0.496 176.302 176.870 -0.120 0.000 1.050 306 L CA -0.651 54.117 54.840 -0.120 0.000 0.893 306 L CB 1.171 43.155 42.059 -0.124 0.000 1.272 306 L HN 0.361 nan 8.230 nan 0.000 0.435 307 V N 1.738 121.587 119.914 -0.107 0.000 2.389 307 V HA 0.140 4.260 4.120 -0.001 0.000 0.264 307 V C 0.552 176.582 176.094 -0.106 0.000 1.049 307 V CA -0.539 61.725 62.300 -0.059 0.000 0.932 307 V CB 0.886 32.692 31.823 -0.028 0.000 1.011 307 V HN 0.637 nan 8.190 nan 0.000 0.475 308 N N 4.226 122.822 118.700 -0.173 0.000 2.444 308 N HA 0.136 4.876 4.740 -0.001 0.000 0.271 308 N C 0.084 175.447 175.510 -0.246 0.000 1.069 308 N CA -0.374 52.476 53.050 -0.334 0.000 0.965 308 N CB 1.327 39.629 38.487 -0.307 0.000 1.092 308 N HN 0.753 nan 8.380 nan 0.000 0.476 309 Y N 2.355 122.501 120.300 -0.257 0.000 2.485 309 Y HA 0.359 4.908 4.550 -0.001 0.000 0.260 309 Y C 1.820 177.666 175.900 -0.090 0.000 1.173 309 Y CA -0.472 57.489 58.100 -0.232 0.000 1.252 309 Y CB -0.091 38.187 38.460 -0.304 0.000 1.123 309 Y HN 0.437 nan 8.280 nan 0.000 0.524 310 K N 1.036 121.342 120.400 -0.156 0.000 2.218 310 K HA -0.208 4.112 4.320 -0.001 0.000 0.205 310 K C -0.450 176.238 176.600 0.146 0.000 1.046 310 K CA 1.782 58.103 56.287 0.057 0.000 0.933 310 K CB -0.020 32.439 32.500 -0.069 0.000 0.728 310 K HN 0.418 nan 8.250 nan 0.000 0.454 311 D N -0.296 120.139 120.400 0.058 0.000 2.323 311 D HA 0.061 4.701 4.640 -0.001 0.000 0.242 311 D C 0.312 176.618 176.300 0.010 0.000 1.347 311 D CA -0.459 53.574 54.000 0.055 0.000 0.988 311 D CB 0.759 41.574 40.800 0.024 0.000 1.314 311 D HN 0.200 nan 8.370 nan 0.000 0.564 312 I N -0.431 120.139 120.570 -0.001 0.000 3.646 312 I HA 0.255 4.425 4.170 -0.001 0.000 0.301 312 I C 0.516 176.609 176.117 -0.041 0.000 1.276 312 I CA 0.120 61.376 61.300 -0.074 0.000 1.254 312 I CB 0.291 38.151 38.000 -0.234 0.000 1.020 312 I HN 0.023 nan 8.210 nan 0.000 0.473 313 D N 1.943 122.337 120.400 -0.011 0.000 2.201 313 D HA 0.009 4.648 4.640 -0.001 0.000 0.209 313 D C 0.209 176.498 176.300 -0.018 0.000 0.961 313 D CA 0.985 54.978 54.000 -0.011 0.000 0.861 313 D CB 0.014 40.816 40.800 0.004 0.000 0.997 313 D HN 0.558 nan 8.370 nan 0.000 0.486 314 N N 0.775 119.466 118.700 -0.016 0.000 2.776 314 N HA 0.201 4.941 4.740 -0.001 0.000 0.245 314 N C -0.994 174.502 175.510 -0.024 0.000 1.121 314 N CA -0.499 52.539 53.050 -0.020 0.000 0.852 314 N CB 1.566 40.043 38.487 -0.016 0.000 1.142 314 N HN -0.093 nan 8.380 nan 0.000 0.514 315 L N 1.711 122.920 121.223 -0.024 0.000 2.455 315 L HA 0.163 4.503 4.340 -0.001 0.000 0.272 315 L C 0.132 176.989 176.870 -0.022 0.000 1.174 315 L CA 0.899 55.728 54.840 -0.018 0.000 0.869 315 L CB 0.625 42.684 42.059 0.001 0.000 1.130 315 L HN 0.387 nan 8.230 nan 0.000 0.474 316 T N 4.410 118.942 114.554 -0.037 0.000 2.770 316 T HA 0.603 4.953 4.350 -0.001 0.000 0.283 316 T C -0.616 174.054 174.700 -0.050 0.000 0.988 316 T CA -0.396 61.674 62.100 -0.051 0.000 0.957 316 T CB 1.123 69.943 68.868 -0.079 0.000 0.930 316 T HN 0.276 nan 8.240 nan 0.000 0.443 317 V N 3.390 123.286 119.914 -0.031 0.000 2.604 317 V HA 0.564 4.683 4.120 -0.001 0.000 0.305 317 V C 0.057 176.125 176.094 -0.042 0.000 1.043 317 V CA -0.792 61.495 62.300 -0.023 0.000 0.888 317 V CB 2.309 34.150 31.823 0.031 0.000 0.995 317 V HN 0.904 nan 8.190 nan 0.000 0.429 318 T N 2.575 117.094 114.554 -0.060 0.000 2.809 318 T HA 0.238 4.588 4.350 -0.001 0.000 0.296 318 T C -0.036 174.637 174.700 -0.045 0.000 1.015 318 T CA -0.168 61.896 62.100 -0.061 0.000 0.954 318 T CB 1.211 70.026 68.868 -0.089 0.000 0.950 318 T HN 0.593 nan 8.240 nan 0.000 0.450 319 S N 4.416 120.098 115.700 -0.030 0.000 2.409 319 S HA 0.443 4.912 4.470 -0.001 0.000 0.308 319 S C 0.143 174.729 174.600 -0.024 0.000 1.080 319 S CA -0.719 57.468 58.200 -0.021 0.000 1.081 319 S CB -0.532 62.662 63.200 -0.010 0.000 1.009 319 S HN 0.547 nan 8.310 nan 0.000 0.502 320 I N 4.239 124.793 120.570 -0.026 0.000 2.365 320 I HA 0.362 4.532 4.170 -0.001 0.000 0.291 320 I C 1.118 177.221 176.117 -0.022 0.000 1.004 320 I CA -0.643 60.644 61.300 -0.023 0.000 1.311 320 I CB 1.330 39.318 38.000 -0.020 0.000 1.401 320 I HN 0.613 nan 8.210 nan 0.000 0.491 321 G N 3.990 112.777 108.800 -0.022 0.000 2.353 321 G HA2 0.559 4.518 3.960 -0.001 0.000 0.284 321 G HA3 0.559 4.518 3.960 -0.001 0.000 0.284 321 G C 0.017 174.900 174.900 -0.028 0.000 1.172 321 G CA 0.011 45.096 45.100 -0.026 0.000 0.854 321 G HN 0.794 nan 8.290 nan 0.000 0.485 322 A N 2.273 125.073 122.820 -0.033 0.000 2.733 322 A HA 0.973 5.293 4.320 -0.001 0.000 0.210 322 A C 0.671 178.236 177.584 -0.032 0.000 2.062 322 A CA 0.590 52.605 52.037 -0.035 0.000 1.765 322 A CB 0.117 19.095 19.000 -0.036 0.000 1.287 322 A HN 1.925 nan 8.150 nan 0.000 0.395 323 A N -0.836 121.966 122.820 -0.030 0.000 2.572 323 A HA 0.721 5.040 4.320 -0.001 0.000 0.295 323 A C -3.109 174.458 177.584 -0.028 0.000 1.072 323 A CA -1.568 50.459 52.037 -0.016 0.000 0.691 323 A CB 0.565 19.570 19.000 0.007 0.000 1.291 323 A HN 0.234 nan 8.150 nan 0.000 0.404 324 P HA 0.331 nan 4.420 nan 0.000 0.265 324 P C -0.596 176.710 177.300 0.010 0.000 1.187 324 P CA 0.891 63.912 63.100 -0.131 0.000 0.766 324 P CB -0.202 31.473 31.700 -0.042 0.000 0.820 325 F N -1.297 118.630 119.950 -0.038 0.000 3.028 325 F HA -0.189 4.338 4.527 -0.000 0.000 0.306 325 F C 0.233 176.042 175.800 0.015 0.000 0.896 325 F CA 0.002 57.990 58.000 -0.020 0.000 1.184 325 F CB -2.334 36.657 39.000 -0.015 0.000 1.213 325 F HN 0.183 nan 8.300 nan 0.000 0.629 326 L N 0.342 121.605 121.223 0.066 0.000 2.485 326 L HA 0.225 4.564 4.340 -0.001 0.000 0.275 326 L C 1.214 178.169 176.870 0.142 0.000 1.207 326 L CA 0.547 55.430 54.840 0.071 0.000 0.855 326 L CB 0.665 42.733 42.059 0.014 0.000 1.114 326 L HN 0.414 nan 8.230 nan 0.000 0.485 327 H N 0.547 119.636 119.070 0.031 0.000 5.260 327 H HA 0.211 4.766 4.556 -0.001 0.000 0.088 327 H C -0.561 174.784 175.328 0.029 0.000 1.309 327 H CA 0.091 56.167 56.048 0.048 0.000 0.380 327 H CB 0.449 30.237 29.762 0.044 0.000 1.656 327 H HN 0.722 nan 8.280 nan 0.000 0.116 328 D N -0.002 120.406 120.400 0.014 0.000 2.506 328 D HA 0.528 5.168 4.640 -0.001 0.000 0.272 328 D C 0.465 176.733 176.300 -0.053 0.000 1.214 328 D CA -0.107 53.876 54.000 -0.030 0.000 1.067 328 D CB 1.316 42.111 40.800 -0.007 0.000 1.117 328 D HN 0.769 nan 8.370 nan 0.000 0.578 329 G N -3.011 105.770 108.800 -0.031 0.000 2.337 329 G HA2 0.575 4.535 3.960 -0.001 0.000 0.298 329 G HA3 0.575 4.535 3.960 -0.001 0.000 0.298 329 G C -1.059 173.836 174.900 -0.008 0.000 1.335 329 G CA -0.267 44.744 45.100 -0.148 0.000 0.875 329 G HN 0.987 nan 8.290 nan 0.000 0.579 330 G N -2.001 106.784 108.800 -0.025 0.000 2.576 330 G HA2 0.536 4.496 3.960 -0.001 0.000 0.290 330 G HA3 0.536 4.496 3.960 -0.001 0.000 0.290 330 G C -1.155 173.967 174.900 0.371 0.000 1.442 330 G CA -0.802 44.460 45.100 0.270 0.000 0.792 330 G HN 0.744 nan 8.290 nan 0.000 0.491 331 W N 1.371 123.028 121.300 0.595 0.000 2.170 331 W HA 0.277 4.936 4.660 -0.001 0.000 0.342 331 W C 1.093 177.819 176.519 0.345 0.000 1.294 331 W CA -0.394 57.185 57.345 0.390 0.000 1.246 331 W CB 0.734 30.377 29.460 0.305 0.000 1.156 331 W HN 0.607 nan 8.180 nan 0.000 0.572 332 D N 0.245 120.983 120.400 0.563 0.000 2.398 332 D HA -0.037 4.602 4.640 -0.001 0.000 0.247 332 D C 1.387 177.888 176.300 0.334 0.000 1.227 332 D CA 0.330 54.579 54.000 0.415 0.000 0.980 332 D CB 0.679 41.725 40.800 0.411 0.000 1.106 332 D HN 0.423 nan 8.370 nan 0.000 0.493 333 S N -0.056 115.775 115.700 0.218 0.000 2.407 333 S HA -0.265 4.204 4.470 -0.001 0.000 0.235 333 S C 1.802 176.307 174.600 -0.158 0.000 1.036 333 S CA 1.689 59.908 58.200 0.032 0.000 1.013 333 S CB -0.909 62.308 63.200 0.029 0.000 0.820 333 S HN 0.623 nan 8.310 nan 0.000 0.476 334 S N 0.096 115.759 115.700 -0.062 0.000 2.603 334 S HA 0.107 4.576 4.470 -0.001 0.000 0.220 334 S C 0.366 174.800 174.600 -0.277 0.000 0.967 334 S CA 0.181 58.280 58.200 -0.169 0.000 0.920 334 S CB -1.110 62.072 63.200 -0.030 0.000 0.773 334 S HN 0.770 nan 8.310 nan 0.000 0.529 335 H N 0.276 119.163 119.070 -0.306 0.000 2.756 335 H HA -0.136 4.419 4.556 -0.001 0.000 0.315 335 H C 1.130 175.820 175.328 -1.063 0.000 1.210 335 H CA 0.718 56.254 56.048 -0.853 0.000 1.150 335 H CB -0.980 28.157 29.762 -1.041 0.000 1.463 335 H HN 0.506 nan 8.280 nan 0.000 0.427 336 R N -0.003 120.202 120.500 -0.493 0.000 2.561 336 R HA 0.099 4.438 4.340 -0.001 0.000 0.213 336 R C -0.581 175.508 176.300 -0.353 0.000 0.885 336 R CA 0.162 55.922 56.100 -0.566 0.000 1.002 336 R CB 0.891 30.818 30.300 -0.622 0.000 1.432 336 R HN 0.147 nan 8.270 nan 0.000 0.651 337 Y N 0.174 120.656 120.300 0.303 0.000 2.331 337 Y HA 0.319 4.868 4.550 -0.000 0.000 0.338 337 Y C -0.726 175.478 175.900 0.507 0.000 0.992 337 Y CA -1.246 57.052 58.100 0.330 0.000 1.121 337 Y CB 1.170 39.733 38.460 0.173 0.000 1.184 337 Y HN -0.073 nan 8.280 nan 0.000 0.469 338 F N 5.583 125.716 119.950 0.306 0.000 2.375 338 F HA 0.386 4.913 4.527 -0.000 0.000 0.362 338 F C -0.602 175.080 175.800 -0.196 0.000 1.129 338 F CA -1.652 56.328 58.000 -0.034 0.000 1.154 338 F CB 0.443 39.319 39.000 -0.206 0.000 1.205 338 F HN 0.336 nan 8.300 nan 0.000 0.513 339 M N 6.144 125.350 119.600 -0.656 0.000 2.497 339 M HA 0.145 4.625 4.480 -0.001 0.000 0.336 339 M C 0.175 175.826 176.300 -1.083 0.000 1.378 339 M CA 0.140 54.794 55.300 -1.077 0.000 1.375 339 M CB -0.345 31.021 32.600 -2.057 0.000 1.337 339 M HN 0.558 nan 8.290 nan 0.000 0.461 340 T N 1.939 115.934 114.554 -0.931 0.000 2.918 340 T HA 0.812 5.162 4.350 -0.001 0.000 0.286 340 T C -0.837 173.690 174.700 -0.288 0.000 1.026 340 T CA -0.570 61.112 62.100 -0.697 0.000 1.031 340 T CB 1.437 69.806 68.868 -0.833 0.000 1.046 340 T HN 0.687 nan 8.240 nan 0.000 0.479 341 A N 2.356 125.104 122.820 -0.120 0.000 2.288 341 A HA 0.756 5.076 4.320 -0.001 0.000 0.320 341 A C 0.268 177.872 177.584 0.034 0.000 1.217 341 A CA -0.635 51.396 52.037 -0.009 0.000 0.840 341 A CB 0.721 19.743 19.000 0.037 0.000 1.179 341 A HN 1.092 nan 8.150 nan 0.000 0.504 342 A N 3.278 126.124 122.820 0.044 0.000 3.094 342 A HA 0.357 4.677 4.320 -0.001 0.000 0.288 342 A C 1.043 178.693 177.584 0.110 0.000 1.519 342 A CA -0.267 51.825 52.037 0.093 0.000 1.227 342 A CB -0.959 18.082 19.000 0.069 0.000 1.175 342 A HN 0.989 nan 8.150 nan 0.000 0.568 343 N N 1.552 120.314 118.700 0.103 0.000 2.091 343 N HA -0.279 4.461 4.740 -0.001 0.000 0.193 343 N C 0.752 176.277 175.510 0.025 0.000 1.021 343 N CA 2.444 55.527 53.050 0.056 0.000 0.862 343 N CB -0.744 37.749 38.487 0.009 0.000 1.018 343 N HN 0.716 nan 8.380 nan 0.000 0.429 344 N N -1.163 117.535 118.700 -0.002 0.000 2.461 344 N HA 0.142 4.881 4.740 -0.001 0.000 0.188 344 N C 0.228 175.731 175.510 -0.012 0.000 1.134 344 N CA 0.117 53.086 53.050 -0.135 0.000 0.878 344 N CB 0.168 38.317 38.487 -0.565 0.000 0.972 344 N HN 0.182 nan 8.380 nan 0.000 0.456 345 S N 0.344 116.096 115.700 0.086 0.000 2.524 345 S HA 0.092 4.561 4.470 -0.001 0.000 0.215 345 S C 0.143 174.784 174.600 0.069 0.000 0.986 345 S CA -0.323 57.934 58.200 0.096 0.000 0.911 345 S CB 0.309 63.583 63.200 0.124 0.000 0.805 345 S HN 0.302 nan 8.310 nan 0.000 0.501 346 N N 1.645 120.386 118.700 0.070 0.000 2.735 346 N HA -0.138 4.601 4.740 -0.001 0.000 0.248 346 N C -0.600 174.965 175.510 0.092 0.000 1.083 346 N CA 1.118 54.219 53.050 0.086 0.000 0.703 346 N CB -1.008 37.518 38.487 0.066 0.000 1.005 346 N HN 0.525 nan 8.380 nan 0.000 0.550 347 K N -0.847 119.603 120.400 0.082 0.000 2.466 347 K HA 0.736 5.055 4.320 -0.001 0.000 0.260 347 K C -0.627 176.006 176.600 0.055 0.000 1.011 347 K CA -0.791 55.537 56.287 0.068 0.000 0.871 347 K CB 2.379 34.906 32.500 0.045 0.000 1.404 347 K HN -0.133 nan 8.250 nan 0.000 0.450 348 V N 1.228 121.162 119.914 0.034 0.000 2.525 348 V HA 0.480 4.600 4.120 -0.001 0.000 0.299 348 V C -0.901 175.138 176.094 -0.092 0.000 1.034 348 V CA -0.842 61.450 62.300 -0.013 0.000 0.863 348 V CB 1.527 33.385 31.823 0.057 0.000 0.999 348 V HN 0.903 nan 8.190 nan 0.000 0.423 349 A N 4.674 127.402 122.820 -0.153 0.000 2.301 349 A HA 0.812 5.131 4.320 -0.001 0.000 0.312 349 A C -0.563 176.846 177.584 -0.292 0.000 1.182 349 A CA -0.455 51.473 52.037 -0.182 0.000 0.826 349 A CB 1.217 20.139 19.000 -0.131 0.000 1.134 349 A HN 0.721 nan 8.150 nan 0.000 0.501 350 V N 4.613 124.326 119.914 -0.335 0.000 2.313 350 V HA 0.242 4.361 4.120 -0.001 0.000 0.278 350 V C -0.434 175.505 176.094 -0.260 0.000 1.017 350 V CA -0.393 61.641 62.300 -0.444 0.000 0.823 350 V CB 0.940 32.218 31.823 -0.908 0.000 1.010 350 V HN 0.690 nan 8.190 nan 0.000 0.443 351 I N 3.815 124.345 120.570 -0.067 0.000 2.297 351 I HA 0.263 4.433 4.170 -0.001 0.000 0.291 351 I C 0.210 176.428 176.117 0.168 0.000 1.033 351 I CA -0.127 61.214 61.300 0.067 0.000 1.253 351 I CB 1.313 39.416 38.000 0.171 0.000 1.396 351 I HN 0.589 nan 8.210 nan 0.000 0.476 352 D N 4.617 125.104 120.400 0.146 0.000 2.339 352 D HA 0.034 4.673 4.640 -0.001 0.000 0.256 352 D C 1.184 177.540 176.300 0.094 0.000 1.214 352 D CA 0.047 54.146 54.000 0.165 0.000 0.877 352 D CB 1.083 42.012 40.800 0.215 0.000 1.111 352 D HN 0.536 nan 8.370 nan 0.000 0.478 353 S N 3.126 118.874 115.700 0.081 0.000 2.562 353 S HA -0.031 4.439 4.470 -0.001 0.000 0.221 353 S C 1.512 176.183 174.600 0.118 0.000 0.975 353 S CA 0.169 58.445 58.200 0.127 0.000 0.918 353 S CB 0.216 63.567 63.200 0.253 0.000 0.772 353 S HN 0.495 nan 8.310 nan 0.000 0.531 354 K N 1.198 121.618 120.400 0.033 0.000 2.108 354 K HA 0.047 4.367 4.320 -0.001 0.000 0.204 354 K C 0.868 177.586 176.600 0.196 0.000 1.036 354 K CA 1.187 57.520 56.287 0.078 0.000 0.965 354 K CB -0.039 32.431 32.500 -0.050 0.000 0.804 354 K HN 0.154 nan 8.250 nan 0.000 0.454 355 D N 0.739 121.199 120.400 0.100 0.000 2.317 355 D HA -0.011 4.629 4.640 -0.001 0.000 0.211 355 D C -0.430 175.894 176.300 0.040 0.000 0.966 355 D CA 0.429 54.476 54.000 0.079 0.000 0.876 355 D CB 0.123 40.971 40.800 0.081 0.000 0.927 355 D HN 0.176 nan 8.370 nan 0.000 0.519 356 R N 0.327 120.853 120.500 0.042 0.000 3.076 356 R HA -0.195 4.145 4.340 -0.001 0.000 0.261 356 R C -0.217 176.081 176.300 -0.002 0.000 0.930 356 R CA 0.474 56.573 56.100 -0.002 0.000 0.649 356 R CB -1.854 28.394 30.300 -0.087 0.000 1.350 356 R HN 0.384 nan 8.270 nan 0.000 0.453 357 R N -0.924 119.589 120.500 0.022 0.000 2.733 357 R HA 0.501 4.841 4.340 -0.001 0.000 0.272 357 R C -1.403 174.901 176.300 0.007 0.000 1.029 357 R CA -1.329 54.778 56.100 0.012 0.000 0.888 357 R CB 0.768 31.080 30.300 0.021 0.000 1.251 357 R HN 0.000 nan 8.270 nan 0.000 0.464 358 L N 1.932 123.145 121.223 -0.016 0.000 2.325 358 L HA 0.281 4.620 4.340 -0.001 0.000 0.284 358 L C 0.485 177.309 176.870 -0.076 0.000 1.089 358 L CA 0.491 55.300 54.840 -0.052 0.000 0.836 358 L CB 1.342 43.371 42.059 -0.049 0.000 1.184 358 L HN 0.811 nan 8.230 nan 0.000 0.444 359 S N 3.533 119.138 115.700 -0.158 0.000 2.371 359 S HA 0.380 4.849 4.470 -0.001 0.000 0.224 359 S C 0.592 175.024 174.600 -0.280 0.000 1.029 359 S CA 0.813 58.871 58.200 -0.236 0.000 0.978 359 S CB -0.153 62.713 63.200 -0.556 0.000 0.833 359 S HN 0.892 nan 8.310 nan 0.000 0.466 360 A N -0.393 122.215 122.820 -0.354 0.000 2.544 360 A HA 0.668 4.988 4.320 -0.001 0.000 0.291 360 A C -2.153 175.329 177.584 -0.170 0.000 1.055 360 A CA -0.764 51.149 52.037 -0.207 0.000 0.651 360 A CB 0.468 19.378 19.000 -0.150 0.000 1.296 360 A HN 0.170 nan 8.150 nan 0.000 0.431 361 L N 1.320 122.499 121.223 -0.073 0.000 2.388 361 L HA 0.496 4.836 4.340 -0.001 0.000 0.267 361 L C -1.011 175.858 176.870 -0.001 0.000 0.995 361 L CA -0.770 54.042 54.840 -0.046 0.000 0.864 361 L CB 1.696 43.740 42.059 -0.024 0.000 1.216 361 L HN 0.512 nan 8.230 nan 0.000 0.430 362 V N 1.322 121.242 119.914 0.009 0.000 2.407 362 V HA 0.265 4.384 4.120 -0.001 0.000 0.278 362 V C -0.155 175.978 176.094 0.064 0.000 1.037 362 V CA -0.817 61.516 62.300 0.055 0.000 0.900 362 V CB 1.520 33.397 31.823 0.089 0.000 0.983 362 V HN 0.513 nan 8.190 nan 0.000 0.459 363 D N 3.249 123.688 120.400 0.065 0.000 2.350 363 D HA 0.455 5.095 4.640 -0.001 0.000 0.249 363 D C 0.316 176.670 176.300 0.090 0.000 1.119 363 D CA 0.175 54.216 54.000 0.067 0.000 0.886 363 D CB 1.726 42.556 40.800 0.050 0.000 1.195 363 D HN 0.502 nan 8.370 nan 0.000 0.437 364 V N -0.593 119.391 119.914 0.116 0.000 3.426 364 V HA 0.891 5.011 4.120 -0.001 0.000 0.305 364 V C 0.783 176.942 176.094 0.108 0.000 1.350 364 V CA -0.657 61.748 62.300 0.177 0.000 1.013 364 V CB 0.581 32.603 31.823 0.332 0.000 1.191 364 V HN 0.473 nan 8.190 nan 0.000 0.479 365 G N -0.416 108.411 108.800 0.045 0.000 2.494 365 G HA2 0.474 4.433 3.960 -0.001 0.000 0.270 365 G HA3 0.474 4.433 3.960 -0.001 0.000 0.270 365 G C -0.729 174.158 174.900 -0.021 0.000 1.423 365 G CA -0.789 44.129 45.100 -0.304 0.000 1.055 365 G HN 0.764 nan 8.290 nan 0.000 0.536 366 K N 0.868 121.231 120.400 -0.062 0.000 2.316 366 K HA 0.450 4.770 4.320 -0.001 0.000 0.289 366 K C -0.007 176.693 176.600 0.166 0.000 1.070 366 K CA 0.214 56.533 56.287 0.053 0.000 0.928 366 K CB 0.607 33.109 32.500 0.003 0.000 1.039 366 K HN 0.455 nan 8.250 nan 0.000 0.480 367 T N 3.321 117.965 114.554 0.151 0.000 3.574 367 T HA -0.095 4.254 4.350 -0.001 0.000 0.406 367 T C -2.358 172.429 174.700 0.146 0.000 0.765 367 T CA -0.362 61.809 62.100 0.117 0.000 2.116 367 T CB -1.522 67.377 68.868 0.051 0.000 1.724 367 T HN 0.518 nan 8.240 nan 0.000 0.738 368 P HA 0.083 nan 4.420 nan 0.000 0.267 368 P C -0.303 176.958 177.300 -0.064 0.000 1.205 368 P CA 0.287 63.266 63.100 -0.201 0.000 0.765 368 P CB 0.520 32.147 31.700 -0.122 0.000 0.828 369 H N 5.827 124.780 119.070 -0.196 0.000 2.569 369 H HA 0.248 4.803 4.556 -0.001 0.000 0.247 369 H C -2.081 173.171 175.328 -0.127 0.000 1.346 369 H CA -2.012 53.967 56.048 -0.116 0.000 1.502 369 H CB 1.283 30.963 29.762 -0.137 0.000 1.512 369 H HN 0.186 nan 8.280 nan 0.000 0.502 370 P HA 0.049 nan 4.420 nan 0.000 0.229 370 P C 1.120 178.457 177.300 0.062 0.000 1.160 370 P CA 1.429 64.501 63.100 -0.047 0.000 0.777 370 P CB 0.761 32.531 31.700 0.116 0.000 0.814 371 G N 1.062 109.874 108.800 0.019 0.000 2.591 371 G HA2 -0.372 3.588 3.960 -0.001 0.000 0.298 371 G HA3 -0.372 3.588 3.960 -0.001 0.000 0.298 371 G C 1.038 176.038 174.900 0.166 0.000 1.195 371 G CA 0.515 45.765 45.100 0.250 0.000 0.989 371 G HN 0.277 nan 8.290 nan 0.000 0.551 372 R N 1.442 121.999 120.500 0.096 0.000 2.280 372 R HA 0.445 4.784 4.340 -0.001 0.000 0.195 372 R C 1.346 177.749 176.300 0.173 0.000 0.935 372 R CA 1.256 57.300 56.100 -0.093 0.000 1.033 372 R CB 0.047 29.939 30.300 -0.680 0.000 0.964 372 R HN 2.045 nan 8.270 nan 0.000 0.489 373 G N 0.002 108.897 108.800 0.159 0.000 2.631 373 G HA2 0.033 3.993 3.960 -0.001 0.000 0.504 373 G HA3 0.033 3.993 3.960 -0.001 0.000 0.504 373 G C -1.324 173.625 174.900 0.082 0.000 1.306 373 G CA -0.556 44.517 45.100 -0.046 0.000 0.897 373 G HN 0.317 nan 8.290 nan 0.000 0.520 374 A N 0.268 122.999 122.820 -0.148 0.000 2.385 374 A HA 0.746 5.066 4.320 -0.001 0.000 0.290 374 A C -0.450 177.254 177.584 0.200 0.000 1.094 374 A CA -0.553 51.576 52.037 0.153 0.000 0.729 374 A CB 1.108 20.215 19.000 0.179 0.000 1.194 374 A HN 0.795 nan 8.150 nan 0.000 0.442 375 N N 2.085 120.988 118.700 0.339 0.000 2.408 375 N HA 0.774 5.513 4.740 -0.001 0.000 0.280 375 N C -1.094 174.617 175.510 0.335 0.000 1.002 375 N CA 0.188 53.416 53.050 0.296 0.000 0.907 375 N CB 1.624 40.291 38.487 0.301 0.000 1.161 375 N HN 0.650 nan 8.380 nan 0.000 0.488 376 F N -1.523 118.494 119.950 0.110 0.000 2.711 376 F HA 0.539 5.065 4.527 -0.001 0.000 0.313 376 F C -1.183 174.662 175.800 0.075 0.000 1.141 376 F CA -1.179 56.865 58.000 0.074 0.000 0.941 376 F CB 0.639 39.677 39.000 0.064 0.000 1.349 376 F HN -0.037 nan 8.300 nan 0.000 0.464 377 V N 2.580 122.638 119.914 0.240 0.000 2.348 377 V HA 0.205 4.325 4.120 -0.001 0.000 0.270 377 V C -0.012 176.216 176.094 0.224 0.000 1.037 377 V CA -0.389 61.984 62.300 0.122 0.000 0.872 377 V CB 0.320 32.198 31.823 0.092 0.000 1.002 377 V HN 0.832 nan 8.190 nan 0.000 0.464 378 H N 8.856 127.948 119.070 0.037 0.000 2.683 378 H HA 0.196 4.752 4.556 -0.001 0.000 0.339 378 H C -1.466 173.876 175.328 0.024 0.000 1.081 378 H CA -1.606 54.505 56.048 0.105 0.000 1.432 378 H CB 2.194 31.982 29.762 0.043 0.000 1.462 378 H HN 0.371 nan 8.280 nan 0.000 0.557 379 P HA -0.161 nan 4.420 nan 0.000 0.215 379 P C 1.214 178.550 177.300 0.059 0.000 1.153 379 P CA 1.494 64.590 63.100 -0.007 0.000 0.853 379 P CB 0.590 32.233 31.700 -0.095 0.000 0.788 380 K N -1.053 119.430 120.400 0.138 0.000 2.121 380 K HA -0.051 4.268 4.320 -0.001 0.000 0.203 380 K C 2.164 178.579 176.600 -0.307 0.000 1.041 380 K CA 0.696 56.884 56.287 -0.165 0.000 0.969 380 K CB -0.243 31.951 32.500 -0.510 0.000 0.799 380 K HN -0.054 nan 8.250 nan 0.000 0.456 381 Y N 0.504 120.669 120.300 -0.225 0.000 2.519 381 Y HA 0.227 4.776 4.550 -0.001 0.000 0.287 381 Y C 1.281 176.927 175.900 -0.423 0.000 1.128 381 Y CA 0.499 58.211 58.100 -0.647 0.000 1.282 381 Y CB 0.015 37.866 38.460 -1.015 0.000 1.027 381 Y HN 0.408 nan 8.280 nan 0.000 0.551 382 G N -0.120 108.574 108.800 -0.176 0.000 2.568 382 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.222 382 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.222 382 G C -2.787 171.975 174.900 -0.231 0.000 1.321 382 G CA -1.173 43.682 45.100 -0.407 0.000 0.893 382 G HN -0.010 nan 8.290 nan 0.000 0.569 383 P HA 0.404 nan 4.420 nan 0.000 0.263 383 P C 0.178 177.391 177.300 -0.145 0.000 1.195 383 P CA 0.605 63.631 63.100 -0.124 0.000 0.762 383 P CB 0.951 32.613 31.700 -0.063 0.000 0.799 384 V N 1.127 120.922 119.914 -0.198 0.000 3.078 384 V HA 0.752 4.871 4.120 -0.001 0.000 0.311 384 V C -1.689 174.351 176.094 -0.090 0.000 1.138 384 V CA -1.214 60.966 62.300 -0.199 0.000 1.007 384 V CB 2.459 34.044 31.823 -0.396 0.000 1.045 384 V HN 0.568 nan 8.190 nan 0.000 0.432 385 W N 2.574 123.801 121.300 -0.123 0.000 2.739 385 W HA 0.813 5.473 4.660 -0.000 0.000 0.331 385 W C -0.255 176.277 176.519 0.020 0.000 1.049 385 W CA 0.090 57.443 57.345 0.013 0.000 1.234 385 W CB 2.153 31.684 29.460 0.119 0.000 1.404 385 W HN 1.037 nan 8.180 nan 0.000 0.477 386 S N 3.316 118.716 115.700 -0.501 0.000 2.689 386 S HA 0.887 5.357 4.470 -0.001 0.000 0.306 386 S C -0.729 173.357 174.600 -0.857 0.000 1.104 386 S CA -0.823 57.104 58.200 -0.454 0.000 0.973 386 S CB 2.069 65.224 63.200 -0.076 0.000 1.121 386 S HN 0.577 nan 8.310 nan 0.000 0.523 387 T N 0.185 114.458 114.554 -0.469 0.000 2.942 387 T HA 0.642 4.992 4.350 -0.001 0.000 0.327 387 T C -0.689 173.892 174.700 -0.199 0.000 1.360 387 T CA -0.318 61.538 62.100 -0.407 0.000 1.055 387 T CB 1.290 69.901 68.868 -0.429 0.000 1.261 387 T HN 1.164 nan 8.240 nan 0.000 0.485 388 S N 2.471 118.084 115.700 -0.145 0.000 2.767 388 S HA 0.868 5.338 4.470 -0.001 0.000 0.300 388 S C -0.817 173.681 174.600 -0.170 0.000 1.123 388 S CA -0.550 57.652 58.200 0.003 0.000 0.992 388 S CB 0.949 64.192 63.200 0.073 0.000 1.138 388 S HN 0.845 nan 8.310 nan 0.000 0.550 389 H N -1.090 118.001 119.070 0.036 0.000 2.855 389 H HA 0.574 5.129 4.556 -0.001 0.000 0.363 389 H C 0.204 175.545 175.328 0.023 0.000 1.185 389 H CA -0.829 55.244 56.048 0.042 0.000 1.174 389 H CB 1.308 31.090 29.762 0.033 0.000 1.857 389 H HN 0.503 nan 8.280 nan 0.000 0.565 390 L N -0.108 121.203 121.223 0.146 0.000 2.463 390 L HA 0.323 4.662 4.340 -0.001 0.000 0.219 390 L C 1.756 178.663 176.870 0.062 0.000 1.088 390 L CA 1.041 55.919 54.840 0.063 0.000 0.849 390 L CB 0.085 42.152 42.059 0.013 0.000 1.012 390 L HN 0.802 nan 8.230 nan 0.000 0.468 391 G N -0.693 108.158 108.800 0.084 0.000 2.887 391 G HA2 0.084 4.044 3.960 -0.001 0.000 0.211 391 G HA3 0.084 4.044 3.960 -0.001 0.000 0.211 391 G C -0.475 174.438 174.900 0.021 0.000 1.152 391 G CA 0.602 45.726 45.100 0.039 0.000 0.769 391 G HN 0.511 nan 8.290 nan 0.000 0.541 392 D N -3.083 117.336 120.400 0.032 0.000 2.622 392 D HA 0.372 5.012 4.640 -0.001 0.000 0.255 392 D C 0.696 177.008 176.300 0.019 0.000 1.246 392 D CA -0.286 53.709 54.000 -0.008 0.000 0.795 392 D CB 0.719 41.477 40.800 -0.071 0.000 1.369 392 D HN -0.081 nan 8.370 nan 0.000 0.425 393 G N -0.602 108.208 108.800 0.017 0.000 3.210 393 G HA2 0.277 4.237 3.960 -0.001 0.000 0.220 393 G HA3 0.277 4.237 3.960 -0.001 0.000 0.220 393 G C 0.368 175.310 174.900 0.069 0.000 1.200 393 G CA 0.354 45.484 45.100 0.050 0.000 0.834 393 G HN 0.656 nan 8.290 nan 0.000 0.524 394 S N -0.448 115.263 115.700 0.018 0.000 2.632 394 S HA 0.680 5.150 4.470 -0.001 0.000 0.271 394 S C -0.539 174.149 174.600 0.147 0.000 1.260 394 S CA -0.636 57.577 58.200 0.022 0.000 1.010 394 S CB 1.988 65.121 63.200 -0.111 0.000 0.965 394 S HN -0.018 nan 8.310 nan 0.000 0.534 395 I N 1.771 122.409 120.570 0.112 0.000 2.476 395 I HA 0.277 4.447 4.170 -0.001 0.000 0.281 395 I C -0.329 175.841 176.117 0.089 0.000 1.040 395 I CA 0.001 61.365 61.300 0.107 0.000 1.094 395 I CB 1.862 39.840 38.000 -0.036 0.000 1.219 395 I HN 0.613 nan 8.210 nan 0.000 0.450 396 S N 6.690 122.489 115.700 0.166 0.000 2.537 396 S HA 0.607 5.077 4.470 -0.001 0.000 0.275 396 S C -0.231 174.398 174.600 0.048 0.000 1.272 396 S CA -0.495 57.773 58.200 0.113 0.000 1.050 396 S CB 0.611 63.926 63.200 0.192 0.000 0.961 396 S HN 0.336 nan 8.310 nan 0.000 0.496 397 L N 4.420 125.650 121.223 0.012 0.000 2.305 397 L HA 0.583 4.922 4.340 -0.001 0.000 0.284 397 L C -0.655 176.193 176.870 -0.037 0.000 1.013 397 L CA -0.434 54.389 54.840 -0.027 0.000 0.819 397 L CB 0.872 42.900 42.059 -0.051 0.000 1.227 397 L HN 0.484 nan 8.230 nan 0.000 0.417 398 I N 1.968 122.577 120.570 0.064 0.000 2.441 398 I HA 0.409 4.579 4.170 -0.001 0.000 0.295 398 I C 0.837 176.991 176.117 0.062 0.000 0.994 398 I CA -0.621 60.744 61.300 0.109 0.000 1.144 398 I CB 1.965 40.138 38.000 0.289 0.000 1.314 398 I HN 0.613 nan 8.210 nan 0.000 0.445 399 G N 2.330 111.116 108.800 -0.023 0.000 2.406 399 G HA2 0.353 4.313 3.960 -0.001 0.000 0.251 399 G HA3 0.353 4.313 3.960 -0.001 0.000 0.251 399 G C 0.496 175.282 174.900 -0.191 0.000 1.271 399 G CA -0.128 44.905 45.100 -0.110 0.000 0.859 399 G HN 0.768 nan 8.290 nan 0.000 0.540 400 T N -1.199 113.230 114.554 -0.207 0.000 3.339 400 T HA 0.237 4.587 4.350 -0.001 0.000 0.292 400 T C -0.223 174.274 174.700 -0.339 0.000 1.012 400 T CA -0.437 61.506 62.100 -0.263 0.000 0.937 400 T CB 0.585 69.539 68.868 0.142 0.000 1.164 400 T HN 0.358 nan 8.240 nan 0.000 0.509 401 D N 2.365 122.534 120.400 -0.385 0.000 2.412 401 D HA 0.322 4.962 4.640 -0.001 0.000 0.276 401 D C -1.775 174.387 176.300 -0.231 0.000 1.196 401 D CA -2.309 51.582 54.000 -0.183 0.000 0.905 401 D CB 1.916 42.711 40.800 -0.008 0.000 1.081 401 D HN 0.045 nan 8.370 nan 0.000 0.502 402 P HA -0.029 nan 4.420 nan 0.000 0.233 402 P C 0.962 178.209 177.300 -0.088 0.000 1.167 402 P CA 0.378 63.314 63.100 -0.273 0.000 0.770 402 P CB 0.870 32.418 31.700 -0.255 0.000 0.837 403 K N 0.037 120.422 120.400 -0.025 0.000 2.099 403 K HA 0.093 4.412 4.320 -0.001 0.000 0.203 403 K C 1.496 178.083 176.600 -0.021 0.000 1.047 403 K CA 0.955 57.244 56.287 0.002 0.000 0.963 403 K CB -0.027 32.495 32.500 0.038 0.000 0.759 403 K HN -0.050 nan 8.250 nan 0.000 0.451 404 N N -0.436 118.264 118.700 -0.000 0.000 2.187 404 N HA 0.070 4.810 4.740 -0.001 0.000 0.212 404 N C -0.749 174.631 175.510 -0.217 0.000 1.152 404 N CA 0.273 53.286 53.050 -0.062 0.000 0.872 404 N CB 0.821 39.308 38.487 -0.001 0.000 1.025 404 N HN 0.164 nan 8.380 nan 0.000 0.514 405 H N -1.746 117.280 119.070 -0.074 0.000 3.083 405 H HA 0.222 4.778 4.556 -0.001 0.000 0.217 405 H C -2.004 173.219 175.328 -0.174 0.000 1.397 405 H CA -0.735 55.266 56.048 -0.079 0.000 1.248 405 H CB 1.145 30.925 29.762 0.030 0.000 2.199 405 H HN -0.021 nan 8.280 nan 0.000 0.521 406 P HA -0.187 nan 4.420 nan 0.000 0.221 406 P C 1.066 178.243 177.300 -0.205 0.000 1.145 406 P CA 1.303 64.304 63.100 -0.165 0.000 0.795 406 P CB 0.377 32.001 31.700 -0.128 0.000 0.775 407 Q N -2.233 117.388 119.800 -0.297 0.000 2.172 407 Q HA -0.119 4.221 4.340 -0.001 0.000 0.200 407 Q C 1.006 176.761 176.000 -0.408 0.000 0.964 407 Q CA 1.404 56.946 55.803 -0.435 0.000 0.855 407 Q CB -0.746 27.551 28.738 -0.734 0.000 0.918 407 Q HN 0.405 nan 8.270 nan 0.000 0.444 408 Y N -0.302 119.966 120.300 -0.055 0.000 2.444 408 Y HA 0.509 5.059 4.550 -0.001 0.000 0.249 408 Y C 0.389 176.154 175.900 -0.226 0.000 1.134 408 Y CA -0.992 57.043 58.100 -0.109 0.000 1.261 408 Y CB -0.158 38.262 38.460 -0.067 0.000 1.143 408 Y HN -0.037 nan 8.280 nan 0.000 0.523 409 A N 0.106 122.779 122.820 -0.244 0.000 2.537 409 A HA 0.139 4.459 4.320 -0.001 0.000 0.260 409 A C -0.041 177.211 177.584 -0.554 0.000 1.082 409 A CA -0.067 51.547 52.037 -0.706 0.000 0.765 409 A CB -1.211 17.240 19.000 -0.915 0.000 1.019 409 A HN 0.742 nan 8.150 nan 0.000 0.507 410 W N 0.462 121.731 121.300 -0.052 0.000 4.034 410 W HA -0.194 4.466 4.660 -0.001 0.000 0.345 410 W C 0.216 176.722 176.519 -0.022 0.000 1.308 410 W CA 0.508 57.822 57.345 -0.052 0.000 0.740 410 W CB -1.524 27.897 29.460 -0.066 0.000 2.404 410 W HN 0.668 nan 8.180 nan 0.000 1.353 411 K N 0.975 121.452 120.400 0.129 0.000 2.316 411 K HA 0.302 4.622 4.320 -0.001 0.000 0.251 411 K C 0.162 176.773 176.600 0.017 0.000 0.934 411 K CA -1.250 55.080 56.287 0.071 0.000 0.802 411 K CB 1.793 34.320 32.500 0.045 0.000 1.171 411 K HN -0.151 nan 8.250 nan 0.000 0.426 412 K N 3.531 123.939 120.400 0.012 0.000 2.054 412 K HA 0.024 4.344 4.320 -0.001 0.000 0.242 412 K C 0.749 177.268 176.600 -0.136 0.000 1.157 412 K CA 0.016 56.289 56.287 -0.023 0.000 1.079 412 K CB 0.135 32.643 32.500 0.014 0.000 1.331 412 K HN 0.424 nan 8.250 nan 0.000 0.317 413 V N 2.550 122.299 119.914 -0.275 0.000 2.469 413 V HA -0.169 3.950 4.120 -0.001 0.000 0.251 413 V C 0.667 176.328 176.094 -0.721 0.000 1.064 413 V CA 1.998 63.909 62.300 -0.649 0.000 1.066 413 V CB -0.245 30.994 31.823 -0.973 0.000 0.667 413 V HN 0.853 nan 8.190 nan 0.000 0.461 414 A N -1.548 121.042 122.820 -0.384 0.000 2.567 414 A HA 0.658 4.977 4.320 -0.001 0.000 0.291 414 A C -1.074 176.478 177.584 -0.053 0.000 1.048 414 A CA -0.724 51.204 52.037 -0.181 0.000 0.661 414 A CB 1.006 19.945 19.000 -0.101 0.000 1.288 414 A HN 0.245 nan 8.150 nan 0.000 0.424 415 E N -0.088 120.115 120.200 0.005 0.000 2.299 415 E HA 0.762 5.111 4.350 -0.001 0.000 0.265 415 E C -1.206 175.419 176.600 0.041 0.000 0.911 415 E CA -0.685 55.729 56.400 0.023 0.000 0.789 415 E CB 2.308 32.022 29.700 0.022 0.000 1.246 415 E HN 0.531 nan 8.360 nan 0.000 0.427 416 L N 1.007 122.240 121.223 0.016 0.000 2.283 416 L HA 0.472 4.811 4.340 -0.001 0.000 0.259 416 L C -0.728 176.209 176.870 0.112 0.000 1.027 416 L CA -1.110 53.732 54.840 0.002 0.000 0.828 416 L CB 1.894 43.755 42.059 -0.329 0.000 1.380 416 L HN 0.294 nan 8.230 nan 0.000 0.425 417 Q N 0.607 120.590 119.800 0.305 0.000 2.321 417 Q HA 0.504 4.843 4.340 -0.001 0.000 0.270 417 Q C -0.314 175.993 176.000 0.511 0.000 1.032 417 Q CA -0.363 55.638 55.803 0.331 0.000 0.784 417 Q CB 2.403 31.298 28.738 0.261 0.000 1.264 417 Q HN 0.823 nan 8.270 nan 0.000 0.448 418 G N 0.605 109.568 108.800 0.271 0.000 2.642 418 G HA2 0.195 4.154 3.960 -0.001 0.000 0.291 418 G HA3 0.195 4.154 3.960 -0.001 0.000 0.291 418 G C 0.536 175.365 174.900 -0.119 0.000 1.345 418 G CA -0.254 44.822 45.100 -0.040 0.000 1.043 418 G HN 0.534 nan 8.290 nan 0.000 0.528 419 Q N -0.726 118.876 119.800 -0.329 0.000 2.226 419 Q HA 0.163 4.503 4.340 -0.001 0.000 0.204 419 Q C 1.135 177.129 176.000 -0.010 0.000 0.975 419 Q CA 1.128 56.864 55.803 -0.111 0.000 0.866 419 Q CB -0.034 28.612 28.738 -0.154 0.000 0.915 419 Q HN 0.726 nan 8.270 nan 0.000 0.440 420 G N -1.207 107.586 108.800 -0.012 0.000 2.327 420 G HA2 0.305 4.265 3.960 -0.001 0.000 0.291 420 G HA3 0.305 4.265 3.960 -0.001 0.000 0.291 420 G C -0.630 174.282 174.900 0.019 0.000 1.290 420 G CA -0.708 44.400 45.100 0.013 0.000 0.857 420 G HN 0.212 nan 8.290 nan 0.000 0.520 421 G N -1.654 107.161 108.800 0.024 0.000 2.570 421 G HA2 0.543 4.502 3.960 -0.001 0.000 0.276 421 G HA3 0.543 4.502 3.960 -0.001 0.000 0.276 421 G C 1.437 176.359 174.900 0.037 0.000 1.346 421 G CA 1.298 46.420 45.100 0.036 0.000 1.034 421 G HN 2.454 nan 8.290 nan 0.000 0.512 422 G N -1.931 106.899 108.800 0.050 0.000 2.155 422 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.257 422 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.257 422 G C 0.670 175.595 174.900 0.042 0.000 0.983 422 G CA 0.959 46.105 45.100 0.078 0.000 0.676 422 G HN 1.300 nan 8.290 nan 0.000 0.528 423 S N -1.186 114.523 115.700 0.015 0.000 2.585 423 S HA 0.607 5.076 4.470 -0.001 0.000 0.273 423 S C 1.092 175.613 174.600 -0.131 0.000 1.339 423 S CA 0.135 58.325 58.200 -0.017 0.000 1.028 423 S CB 1.126 64.345 63.200 0.032 0.000 0.906 423 S HN 0.538 nan 8.310 nan 0.000 0.528 424 L N 2.783 123.880 121.223 -0.210 0.000 2.806 424 L HA 0.602 4.941 4.340 -0.001 0.000 0.242 424 L C -1.100 175.342 176.870 -0.714 0.000 1.068 424 L CA 0.786 55.243 54.840 -0.637 0.000 0.923 424 L CB 0.208 41.859 42.059 -0.680 0.000 1.364 424 L HN 0.666 nan 8.230 nan 0.000 0.511 425 F N -0.718 119.314 119.950 0.136 0.000 2.591 425 F HA 0.520 5.047 4.527 -0.001 0.000 0.309 425 F C -0.431 175.450 175.800 0.135 0.000 1.098 425 F CA -0.910 57.180 58.000 0.150 0.000 0.937 425 F CB 1.952 41.024 39.000 0.121 0.000 1.250 425 F HN -0.334 nan 8.300 nan 0.000 0.447 426 I N 2.428 123.182 120.570 0.307 0.000 2.646 426 I HA 0.699 4.869 4.170 -0.001 0.000 0.299 426 I C -1.419 174.865 176.117 0.280 0.000 1.036 426 I CA -0.675 60.773 61.300 0.246 0.000 1.074 426 I CB 1.868 39.939 38.000 0.118 0.000 1.258 426 I HN 0.626 nan 8.210 nan 0.000 0.430 427 K N 3.337 123.950 120.400 0.354 0.000 2.536 427 K HA 0.734 5.054 4.320 -0.001 0.000 0.269 427 K C -1.206 175.721 176.600 0.545 0.000 0.965 427 K CA -0.422 56.117 56.287 0.421 0.000 0.860 427 K CB 2.256 35.000 32.500 0.407 0.000 1.423 427 K HN 0.680 nan 8.250 nan 0.000 0.438 428 T N -0.077 114.766 114.554 0.482 0.000 2.677 428 T HA 0.385 4.734 4.350 -0.001 0.000 0.305 428 T C -2.256 172.362 174.700 -0.136 0.000 1.569 428 T CA -0.534 61.757 62.100 0.319 0.000 0.984 428 T CB 0.632 69.638 68.868 0.231 0.000 1.629 428 T HN 0.566 nan 8.240 nan 0.000 0.494 429 H N 0.343 119.158 119.070 -0.425 0.000 3.012 429 H HA 0.383 4.938 4.556 -0.001 0.000 0.367 429 H C -2.370 172.873 175.328 -0.141 0.000 1.211 429 H CA -1.626 54.153 56.048 -0.449 0.000 1.139 429 H CB 2.577 31.774 29.762 -0.942 0.000 1.838 429 H HN 0.329 nan 8.280 nan 0.000 0.550 430 P HA -0.068 nan 4.420 nan 0.000 0.216 430 P C 0.633 177.963 177.300 0.049 0.000 1.150 430 P CA 1.494 64.517 63.100 -0.128 0.000 0.837 430 P CB 0.306 31.880 31.700 -0.211 0.000 0.786 431 K N -1.011 119.543 120.400 0.256 0.000 2.505 431 K HA 0.135 4.454 4.320 -0.001 0.000 0.192 431 K C 0.695 177.408 176.600 0.189 0.000 1.025 431 K CA 0.095 56.524 56.287 0.237 0.000 1.086 431 K CB 0.041 32.704 32.500 0.271 0.000 0.840 431 K HN 0.046 nan 8.250 nan 0.000 0.514 432 S N -0.095 115.717 115.700 0.186 0.000 2.568 432 S HA 0.210 4.680 4.470 -0.001 0.000 0.302 432 S C 0.476 175.109 174.600 0.054 0.000 1.082 432 S CA -0.857 57.441 58.200 0.164 0.000 1.009 432 S CB 1.437 64.828 63.200 0.318 0.000 1.069 432 S HN 0.188 nan 8.310 nan 0.000 0.500 433 S N 1.994 117.642 115.700 -0.086 0.000 2.602 433 S HA 0.368 4.837 4.470 -0.001 0.000 0.240 433 S C -0.186 174.239 174.600 -0.292 0.000 0.992 433 S CA -0.372 57.707 58.200 -0.202 0.000 0.971 433 S CB -0.451 62.606 63.200 -0.239 0.000 0.855 433 S HN 0.774 nan 8.310 nan 0.000 0.481 434 H N 0.284 119.417 119.070 0.105 0.000 2.621 434 H HA 0.713 5.269 4.556 -0.001 0.000 0.360 434 H C -1.250 174.115 175.328 0.061 0.000 1.163 434 H CA -0.982 55.083 56.048 0.028 0.000 1.194 434 H CB 1.820 31.576 29.762 -0.011 0.000 1.649 434 H HN 0.176 nan 8.280 nan 0.000 0.532 435 L N 3.144 124.421 121.223 0.091 0.000 2.372 435 L HA 0.349 4.689 4.340 -0.001 0.000 0.273 435 L C -1.753 175.220 176.870 0.171 0.000 0.989 435 L CA -0.422 54.508 54.840 0.150 0.000 0.841 435 L CB 0.228 42.278 42.059 -0.015 0.000 1.225 435 L HN 0.524 nan 8.230 nan 0.000 0.414 436 Y N 3.747 124.243 120.300 0.327 0.000 2.352 436 Y HA 0.733 5.283 4.550 -0.001 0.000 0.326 436 Y C -0.120 175.949 175.900 0.281 0.000 1.166 436 Y CA -0.749 57.536 58.100 0.309 0.000 1.182 436 Y CB 1.854 40.518 38.460 0.341 0.000 1.216 436 Y HN 0.262 nan 8.280 nan 0.000 0.474 437 V N 2.779 122.924 119.914 0.385 0.000 2.655 437 V HA 0.230 4.350 4.120 -0.001 0.000 0.301 437 V C -1.006 175.203 176.094 0.191 0.000 1.082 437 V CA -1.109 61.353 62.300 0.271 0.000 0.899 437 V CB 1.580 33.547 31.823 0.240 0.000 1.014 437 V HN 0.827 nan 8.190 nan 0.000 0.429 438 D N 2.425 122.947 120.400 0.203 0.000 2.388 438 D HA 0.573 5.213 4.640 -0.001 0.000 0.254 438 D C 0.413 176.744 176.300 0.052 0.000 1.111 438 D CA -0.429 53.653 54.000 0.137 0.000 0.993 438 D CB 1.505 42.430 40.800 0.208 0.000 1.118 438 D HN 0.547 nan 8.370 nan 0.000 0.502 439 T N -3.585 110.969 114.554 0.000 0.000 3.748 439 T HA 0.188 4.538 4.350 -0.001 0.000 0.281 439 T C 0.945 175.606 174.700 -0.065 0.000 0.977 439 T CA -0.528 61.555 62.100 -0.028 0.000 1.056 439 T CB -0.474 68.369 68.868 -0.041 0.000 1.138 439 T HN 0.343 nan 8.240 nan 0.000 0.498 440 T N 1.660 116.147 114.554 -0.113 0.000 2.653 440 T HA -0.170 4.179 4.350 -0.001 0.000 0.267 440 T C 0.677 175.132 174.700 -0.409 0.000 1.037 440 T CA 1.841 63.771 62.100 -0.284 0.000 1.159 440 T CB -0.445 68.175 68.868 -0.413 0.000 0.859 440 T HN 0.499 nan 8.240 nan 0.000 0.449 441 F N 1.215 121.165 119.950 -0.000 0.000 2.639 441 F HA 0.348 4.874 4.527 -0.001 0.000 0.300 441 F C 1.060 176.837 175.800 -0.038 0.000 1.109 441 F CA -1.395 56.590 58.000 -0.025 0.000 1.335 441 F CB -0.481 38.502 39.000 -0.028 0.000 1.014 441 F HN 0.068 nan 8.300 nan 0.000 0.537 442 N N 3.468 122.213 118.700 0.075 0.000 2.483 442 N HA -0.008 4.731 4.740 -0.001 0.000 0.264 442 N C -1.433 174.093 175.510 0.027 0.000 1.197 442 N CA -0.773 52.300 53.050 0.038 0.000 0.927 442 N CB 1.294 39.781 38.487 0.000 0.000 1.065 442 N HN -0.005 nan 8.380 nan 0.000 0.461 443 P HA -0.084 nan 4.420 nan 0.000 0.225 443 P C -0.187 177.105 177.300 -0.014 0.000 1.148 443 P CA 0.837 63.938 63.100 0.001 0.000 0.779 443 P CB 0.216 31.910 31.700 -0.009 0.000 0.780 444 D N -0.587 119.803 120.400 -0.017 0.000 2.280 444 D HA 0.375 5.014 4.640 -0.001 0.000 0.243 444 D C 1.382 177.661 176.300 -0.036 0.000 1.129 444 D CA -0.299 53.685 54.000 -0.026 0.000 0.848 444 D CB 1.200 41.985 40.800 -0.025 0.000 1.107 444 D HN -0.126 nan 8.370 nan 0.000 0.471 445 A N 4.988 127.783 122.820 -0.041 0.000 1.873 445 A HA -0.232 4.087 4.320 -0.001 0.000 0.218 445 A C 2.126 179.672 177.584 -0.063 0.000 1.193 445 A CA 1.554 53.559 52.037 -0.052 0.000 0.629 445 A CB -0.473 18.496 19.000 -0.050 0.000 0.826 445 A HN 0.731 nan 8.150 nan 0.000 0.447 446 R N -0.435 120.029 120.500 -0.061 0.000 2.083 446 R HA -0.136 4.204 4.340 -0.001 0.000 0.237 446 R C 2.035 178.284 176.300 -0.083 0.000 1.137 446 R CA 1.970 58.025 56.100 -0.074 0.000 0.951 446 R CB -0.419 29.842 30.300 -0.065 0.000 0.851 446 R HN 0.595 nan 8.270 nan 0.000 0.434 447 I N 0.558 121.088 120.570 -0.067 0.000 2.226 447 I HA -0.255 3.914 4.170 -0.001 0.000 0.245 447 I C 2.377 178.448 176.117 -0.078 0.000 1.100 447 I CA 1.585 62.843 61.300 -0.069 0.000 1.374 447 I CB -0.287 37.685 38.000 -0.047 0.000 1.057 447 I HN 0.323 nan 8.210 nan 0.000 0.413 448 S N -0.005 115.653 115.700 -0.070 0.000 2.481 448 S HA -0.146 4.323 4.470 -0.001 0.000 0.231 448 S C 1.576 176.122 174.600 -0.091 0.000 0.996 448 S CA 0.589 58.743 58.200 -0.078 0.000 0.942 448 S CB -0.275 62.882 63.200 -0.073 0.000 0.768 448 S HN 0.529 nan 8.310 nan 0.000 0.520 449 Q N 1.472 121.213 119.800 -0.099 0.000 2.204 449 Q HA 0.308 4.647 4.340 -0.001 0.000 0.209 449 Q C 0.084 175.989 176.000 -0.158 0.000 0.861 449 Q CA -0.124 55.612 55.803 -0.113 0.000 0.971 449 Q CB 0.528 29.202 28.738 -0.107 0.000 1.095 449 Q HN 0.746 nan 8.270 nan 0.000 0.486 450 S N -1.255 114.347 115.700 -0.163 0.000 2.705 450 S HA 0.767 5.237 4.470 -0.001 0.000 0.280 450 S C -0.692 173.793 174.600 -0.191 0.000 1.174 450 S CA -0.846 57.218 58.200 -0.226 0.000 0.823 450 S CB 1.735 64.798 63.200 -0.229 0.000 1.162 450 S HN 0.094 nan 8.310 nan 0.000 0.487 451 V N -2.097 117.678 119.914 -0.231 0.000 2.925 451 V HA 0.981 5.101 4.120 -0.001 0.000 0.311 451 V C -0.180 175.824 176.094 -0.149 0.000 1.104 451 V CA -0.777 61.442 62.300 -0.135 0.000 0.954 451 V CB 1.014 32.796 31.823 -0.069 0.000 1.022 451 V HN 1.607 nan 8.190 nan 0.000 0.427 452 A N 3.292 126.012 122.820 -0.168 0.000 2.309 452 A HA 0.838 5.157 4.320 -0.001 0.000 0.298 452 A C -0.374 177.089 177.584 -0.201 0.000 1.165 452 A CA -0.558 51.276 52.037 -0.337 0.000 0.821 452 A CB 1.142 19.667 19.000 -0.791 0.000 1.102 452 A HN 1.608 nan 8.150 nan 0.000 0.500 453 V N 3.221 122.970 119.914 -0.275 0.000 2.409 453 V HA 0.383 4.502 4.120 -0.001 0.000 0.290 453 V C -0.856 175.094 176.094 -0.240 0.000 1.017 453 V CA -0.315 61.801 62.300 -0.305 0.000 0.841 453 V CB 0.430 31.980 31.823 -0.454 0.000 1.003 453 V HN 0.739 nan 8.190 nan 0.000 0.426 454 F N 1.792 121.704 119.950 -0.064 0.000 2.368 454 F HA 0.546 5.073 4.527 -0.001 0.000 0.315 454 F C 0.595 176.403 175.800 0.013 0.000 1.145 454 F CA -0.518 57.488 58.000 0.010 0.000 1.095 454 F CB 0.721 39.730 39.000 0.016 0.000 1.286 454 F HN 0.398 nan 8.300 nan 0.000 0.530 455 D N 0.809 121.348 120.400 0.232 0.000 2.344 455 D HA 0.295 4.935 4.640 -0.001 0.000 0.239 455 D C 0.353 176.674 176.300 0.035 0.000 1.064 455 D CA -0.199 53.886 54.000 0.142 0.000 0.829 455 D CB 1.113 41.980 40.800 0.112 0.000 1.129 455 D HN 0.433 nan 8.370 nan 0.000 0.506 456 L N 2.889 124.072 121.223 -0.068 0.000 2.552 456 L HA 0.086 4.426 4.340 -0.001 0.000 0.227 456 L C 1.679 178.489 176.870 -0.100 0.000 1.146 456 L CA 0.579 55.319 54.840 -0.166 0.000 0.858 456 L CB 0.031 41.913 42.059 -0.294 0.000 0.969 456 L HN 0.244 nan 8.230 nan 0.000 0.451 457 K N -0.049 120.314 120.400 -0.061 0.000 2.387 457 K HA 0.106 4.425 4.320 -0.001 0.000 0.198 457 K C 0.020 176.605 176.600 -0.026 0.000 1.022 457 K CA 0.002 56.263 56.287 -0.043 0.000 1.128 457 K CB 0.246 32.725 32.500 -0.035 0.000 0.853 457 K HN 0.014 nan 8.250 nan 0.000 0.523 458 N N 0.686 119.377 118.700 -0.015 0.000 3.211 458 N HA 0.076 4.815 4.740 -0.001 0.000 0.183 458 N C -0.133 175.401 175.510 0.040 0.000 1.447 458 N CA -0.032 53.023 53.050 0.008 0.000 0.840 458 N CB 0.003 38.502 38.487 0.019 0.000 1.611 458 N HN -0.055 nan 8.380 nan 0.000 0.610 459 L N -0.292 120.948 121.223 0.027 0.000 2.465 459 L HA 0.043 4.382 4.340 -0.001 0.000 0.224 459 L C 1.037 177.979 176.870 0.120 0.000 1.145 459 L CA 0.697 55.584 54.840 0.079 0.000 0.834 459 L CB 0.091 42.181 42.059 0.050 0.000 0.944 459 L HN 0.317 nan 8.230 nan 0.000 0.451 460 D N 0.692 121.144 120.400 0.086 0.000 2.234 460 D HA 0.018 4.657 4.640 -0.001 0.000 0.205 460 D C 1.133 177.483 176.300 0.082 0.000 0.962 460 D CA 0.521 54.573 54.000 0.086 0.000 0.855 460 D CB 0.169 41.005 40.800 0.059 0.000 0.951 460 D HN 0.246 nan 8.370 nan 0.000 0.500 461 A N 1.179 124.043 122.820 0.073 0.000 2.425 461 A HA 0.131 4.450 4.320 -0.001 0.000 0.249 461 A C 0.657 178.273 177.584 0.052 0.000 1.084 461 A CA -0.262 51.799 52.037 0.041 0.000 0.781 461 A CB 0.580 19.595 19.000 0.025 0.000 1.019 461 A HN -0.042 nan 8.150 nan 0.000 0.490 462 K N 1.166 121.539 120.400 -0.046 0.000 2.276 462 K HA 0.230 4.550 4.320 -0.001 0.000 0.259 462 K C -0.221 176.209 176.600 -0.283 0.000 1.001 462 K CA -0.215 55.966 56.287 -0.176 0.000 0.927 462 K CB 0.180 32.478 32.500 -0.338 0.000 0.969 462 K HN 0.688 nan 8.250 nan 0.000 0.490 463 Y N 0.101 120.189 120.300 -0.354 0.000 2.335 463 Y HA 0.133 4.683 4.550 -0.001 0.000 0.348 463 Y C -0.215 175.478 175.900 -0.345 0.000 1.280 463 Y CA -0.556 57.182 58.100 -0.603 0.000 1.504 463 Y CB 0.240 37.975 38.460 -1.208 0.000 1.366 463 Y HN 0.425 nan 8.280 nan 0.000 0.621 464 Q N 0.733 120.488 119.800 -0.074 0.000 2.337 464 Q HA 0.583 4.923 4.340 -0.001 0.000 0.266 464 Q C -1.406 174.593 176.000 -0.001 0.000 1.023 464 Q CA -1.211 54.551 55.803 -0.067 0.000 0.829 464 Q CB 2.728 31.407 28.738 -0.099 0.000 1.306 464 Q HN 0.621 nan 8.270 nan 0.000 0.449 465 V N 3.476 123.381 119.914 -0.016 0.000 2.432 465 V HA 0.221 4.340 4.120 -0.001 0.000 0.275 465 V C -0.558 175.415 176.094 -0.202 0.000 1.043 465 V CA -0.499 61.754 62.300 -0.079 0.000 0.925 465 V CB 0.916 32.708 31.823 -0.052 0.000 0.985 465 V HN 0.530 nan 8.190 nan 0.000 0.466 466 L N 8.460 129.505 121.223 -0.296 0.000 2.287 466 L HA 0.474 4.813 4.340 -0.001 0.000 0.287 466 L C -1.927 174.517 176.870 -0.712 0.000 1.022 466 L CA -1.787 52.739 54.840 -0.523 0.000 0.814 466 L CB 1.847 43.648 42.059 -0.431 0.000 1.217 466 L HN 0.433 nan 8.230 nan 0.000 0.420 467 P HA 0.074 nan 4.420 nan 0.000 0.230 467 P C 0.992 177.716 177.300 -0.960 0.000 1.791 467 P CA -0.164 62.419 63.100 -0.861 0.000 1.020 467 P CB 0.109 31.325 31.700 -0.806 0.000 1.977 468 I N 1.425 121.594 120.570 -0.669 0.000 2.127 468 I HA -0.257 3.912 4.170 -0.001 0.000 0.241 468 I C 2.389 178.408 176.117 -0.163 0.000 1.075 468 I CA 1.754 62.830 61.300 -0.375 0.000 1.334 468 I CB -2.047 35.699 38.000 -0.423 0.000 1.040 468 I HN 0.149 nan 8.210 nan 0.000 0.405 469 A N 0.424 123.141 122.820 -0.172 0.000 1.877 469 A HA -0.255 4.064 4.320 -0.001 0.000 0.216 469 A C 2.391 179.939 177.584 -0.059 0.000 1.186 469 A CA 1.908 53.893 52.037 -0.087 0.000 0.620 469 A CB -0.836 18.109 19.000 -0.092 0.000 0.822 469 A HN 0.550 nan 8.150 nan 0.000 0.443 470 E N -1.385 118.743 120.200 -0.120 0.000 2.160 470 E HA -0.231 4.119 4.350 -0.001 0.000 0.195 470 E C 1.677 178.318 176.600 0.069 0.000 0.991 470 E CA 1.300 57.657 56.400 -0.071 0.000 0.810 470 E CB -0.186 29.422 29.700 -0.153 0.000 0.742 470 E HN 0.787 nan 8.360 nan 0.000 0.466 471 W N 0.271 121.521 121.300 -0.083 0.000 2.425 471 W HA 0.077 4.737 4.660 -0.001 0.000 0.277 471 W C 2.340 178.813 176.519 -0.077 0.000 1.231 471 W CA 0.879 58.174 57.345 -0.083 0.000 1.248 471 W CB -0.839 28.559 29.460 -0.103 0.000 1.117 471 W HN 0.181 nan 8.180 nan 0.000 0.568 472 A N -0.021 122.888 122.820 0.149 0.000 2.015 472 A HA -0.160 4.160 4.320 -0.001 0.000 0.219 472 A C 0.752 178.357 177.584 0.035 0.000 1.163 472 A CA 1.470 53.544 52.037 0.061 0.000 0.646 472 A CB -0.735 18.287 19.000 0.035 0.000 0.806 472 A HN 0.188 nan 8.150 nan 0.000 0.448 473 D N -1.951 118.474 120.400 0.042 0.000 2.812 473 D HA -0.140 4.499 4.640 -0.001 0.000 0.237 473 D C 0.280 176.585 176.300 0.009 0.000 1.162 473 D CA 0.845 54.859 54.000 0.023 0.000 0.740 473 D CB -1.417 39.395 40.800 0.020 0.000 1.000 473 D HN 0.431 nan 8.370 nan 0.000 0.416 474 L N -0.003 121.224 121.223 0.006 0.000 2.537 474 L HA 0.469 4.809 4.340 -0.001 0.000 0.224 474 L C 2.032 178.901 176.870 -0.001 0.000 1.065 474 L CA 0.384 55.226 54.840 0.003 0.000 0.860 474 L CB -0.109 41.953 42.059 0.005 0.000 1.086 474 L HN 0.574 nan 8.230 nan 0.000 0.482 475 G N 1.089 109.886 108.800 -0.005 0.000 2.443 475 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.209 475 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.209 475 G C -0.502 174.390 174.900 -0.013 0.000 1.176 475 G CA -0.139 44.956 45.100 -0.008 0.000 1.074 475 G HN 0.349 nan 8.290 nan 0.000 0.577 476 E N 0.615 120.807 120.200 -0.013 0.000 2.404 476 E HA 0.499 4.849 4.350 -0.001 0.000 0.261 476 E C 0.446 177.033 176.600 -0.022 0.000 1.074 476 E CA -0.040 56.349 56.400 -0.018 0.000 0.917 476 E CB 1.186 30.877 29.700 -0.015 0.000 0.965 476 E HN 2.448 nan 8.360 nan 0.000 0.433 477 G N -0.007 108.774 108.800 -0.032 0.000 2.375 477 G HA2 0.172 4.131 3.960 -0.001 0.000 0.663 477 G HA3 0.172 4.131 3.960 -0.001 0.000 0.663 477 G C 0.239 175.103 174.900 -0.060 0.000 1.391 477 G CA -0.237 44.837 45.100 -0.044 0.000 0.949 477 G HN 0.708 nan 8.290 nan 0.000 0.646 478 A N 0.464 123.233 122.820 -0.085 0.000 1.940 478 A HA 0.185 4.505 4.320 -0.001 0.000 0.219 478 A C 1.650 179.172 177.584 -0.103 0.000 1.176 478 A CA 2.382 54.357 52.037 -0.103 0.000 0.631 478 A CB -0.656 18.257 19.000 -0.145 0.000 0.814 478 A HN 1.783 nan 8.150 nan 0.000 0.446 479 K N -0.820 119.520 120.400 -0.101 0.000 3.148 479 K HA -0.180 4.140 4.320 -0.001 0.000 0.267 479 K C -0.726 175.832 176.600 -0.070 0.000 0.996 479 K CA 0.614 56.861 56.287 -0.068 0.000 0.737 479 K CB -1.253 31.218 32.500 -0.048 0.000 1.308 479 K HN 0.635 nan 8.250 nan 0.000 0.470 480 R N 0.611 121.044 120.500 -0.113 0.000 2.421 480 R HA 0.137 4.477 4.340 -0.001 0.000 0.305 480 R C 0.419 176.733 176.300 0.024 0.000 1.039 480 R CA -0.251 55.789 56.100 -0.101 0.000 1.003 480 R CB 0.680 30.841 30.300 -0.231 0.000 0.959 480 R HN -0.029 nan 8.270 nan 0.000 0.427 481 V N 4.494 124.412 119.914 0.006 0.000 2.607 481 V HA 0.340 4.460 4.120 -0.001 0.000 0.289 481 V C -0.006 176.152 176.094 0.108 0.000 1.053 481 V CA -0.235 62.102 62.300 0.061 0.000 0.996 481 V CB 1.684 33.504 31.823 -0.004 0.000 0.995 481 V HN 0.493 nan 8.190 nan 0.000 0.476 482 V N 5.062 125.074 119.914 0.163 0.000 3.048 482 V HA 0.498 4.618 4.120 -0.001 0.000 0.303 482 V C -0.529 175.630 176.094 0.108 0.000 1.214 482 V CA -0.401 62.004 62.300 0.176 0.000 0.984 482 V CB 1.870 33.795 31.823 0.171 0.000 1.054 482 V HN 1.047 nan 8.190 nan 0.000 0.430 483 Q N 4.065 123.950 119.800 0.141 0.000 2.474 483 Q HA -0.122 4.217 4.340 -0.001 0.000 0.282 483 Q C -2.562 173.311 176.000 -0.211 0.000 1.323 483 Q CA 0.319 56.000 55.803 -0.204 0.000 0.820 483 Q CB -0.174 28.078 28.738 -0.811 0.000 0.914 483 Q HN 0.577 nan 8.270 nan 0.000 0.304 484 P HA 0.157 nan 4.420 nan 0.000 0.276 484 P C -0.959 176.124 177.300 -0.362 0.000 1.253 484 P CA 0.193 62.982 63.100 -0.518 0.000 0.766 484 P CB 1.064 32.627 31.700 -0.229 0.000 0.845 485 E N 3.102 123.051 120.200 -0.418 0.000 2.256 485 E HA 0.378 4.727 4.350 -0.001 0.000 0.268 485 E C -1.383 175.188 176.600 -0.049 0.000 0.877 485 E CA -0.718 55.608 56.400 -0.122 0.000 0.757 485 E CB 0.599 30.233 29.700 -0.109 0.000 1.183 485 E HN 0.204 nan 8.360 nan 0.000 0.418 486 Y N 2.225 122.530 120.300 0.009 0.000 2.340 486 Y HA 0.318 4.868 4.550 -0.001 0.000 0.327 486 Y C 1.099 177.036 175.900 0.061 0.000 1.321 486 Y CA -0.343 57.788 58.100 0.052 0.000 1.433 486 Y CB 0.669 39.169 38.460 0.067 0.000 1.373 486 Y HN 0.635 nan 8.280 nan 0.000 0.538 487 N N 0.240 119.095 118.700 0.258 0.000 2.478 487 N HA 0.135 4.875 4.740 -0.001 0.000 0.275 487 N C 0.724 176.273 175.510 0.065 0.000 1.221 487 N CA -0.607 52.529 53.050 0.144 0.000 0.979 487 N CB 0.756 39.402 38.487 0.264 0.000 1.202 487 N HN 0.627 nan 8.380 nan 0.000 0.564 488 K N 0.435 120.840 120.400 0.008 0.000 2.032 488 K HA -0.214 4.105 4.320 -0.001 0.000 0.218 488 K C 1.397 177.983 176.600 -0.024 0.000 1.054 488 K CA 1.945 58.221 56.287 -0.017 0.000 0.941 488 K CB -0.143 32.296 32.500 -0.100 0.000 0.720 488 K HN 0.745 nan 8.250 nan 0.000 0.449 489 R N -0.556 119.926 120.500 -0.030 0.000 2.320 489 R HA 0.110 4.450 4.340 -0.001 0.000 0.211 489 R C 1.025 177.258 176.300 -0.111 0.000 0.931 489 R CA 0.631 56.711 56.100 -0.034 0.000 1.071 489 R CB -0.176 30.119 30.300 -0.008 0.000 1.025 489 R HN 0.362 nan 8.270 nan 0.000 0.495 490 G N 2.703 111.330 108.800 -0.289 0.000 2.233 490 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.270 490 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.270 490 G C 0.159 175.074 174.900 0.025 0.000 1.011 490 G CA 0.834 45.612 45.100 -0.536 0.000 0.762 490 G HN 0.726 nan 8.290 nan 0.000 0.511 491 D N -0.292 120.164 120.400 0.094 0.000 2.369 491 D HA 0.167 4.807 4.640 -0.001 0.000 0.211 491 D C 0.807 177.202 176.300 0.159 0.000 1.077 491 D CA 0.715 54.801 54.000 0.144 0.000 0.842 491 D CB 0.121 40.982 40.800 0.100 0.000 0.947 491 D HN 0.806 nan 8.370 nan 0.000 0.509 492 E N -0.442 119.856 120.200 0.163 0.000 2.356 492 E HA 0.549 4.898 4.350 -0.001 0.000 0.275 492 E C -1.400 175.215 176.600 0.026 0.000 0.904 492 E CA -1.203 55.269 56.400 0.119 0.000 0.757 492 E CB 2.368 32.168 29.700 0.166 0.000 1.232 492 E HN -0.154 nan 8.360 nan 0.000 0.442 493 V N 1.801 121.622 119.914 -0.155 0.000 2.487 493 V HA 0.379 4.499 4.120 -0.001 0.000 0.298 493 V C -1.091 174.786 176.094 -0.362 0.000 1.028 493 V CA -0.762 61.227 62.300 -0.519 0.000 0.860 493 V CB 0.730 31.855 31.823 -1.163 0.000 0.991 493 V HN 0.647 nan 8.190 nan 0.000 0.427 494 W N 3.756 124.615 121.300 -0.734 0.000 2.512 494 W HA 0.813 5.473 4.660 -0.000 0.000 0.335 494 W C -0.608 175.375 176.519 -0.894 0.000 1.088 494 W CA -0.954 56.041 57.345 -0.582 0.000 1.236 494 W CB 1.021 30.190 29.460 -0.485 0.000 1.307 494 W HN 0.351 nan 8.180 nan 0.000 0.567 495 F N 0.622 120.561 119.950 -0.019 0.000 2.599 495 F HA 0.509 5.036 4.527 -0.001 0.000 0.311 495 F C 0.121 175.901 175.800 -0.033 0.000 1.076 495 F CA -1.200 56.775 58.000 -0.042 0.000 0.937 495 F CB 1.746 40.715 39.000 -0.052 0.000 1.282 495 F HN -0.062 nan 8.300 nan 0.000 0.460 496 S N 1.230 117.024 115.700 0.155 0.000 2.456 496 S HA 0.502 4.972 4.470 -0.001 0.000 0.316 496 S C -0.633 174.045 174.600 0.131 0.000 1.089 496 S CA -0.706 57.548 58.200 0.090 0.000 1.101 496 S CB 1.422 64.624 63.200 0.004 0.000 0.995 496 S HN 0.347 nan 8.310 nan 0.000 0.468 497 V N 4.403 124.386 119.914 0.114 0.000 2.221 497 V HA 0.147 4.266 4.120 -0.001 0.000 0.258 497 V C -0.431 175.769 176.094 0.176 0.000 1.179 497 V CA -0.679 61.687 62.300 0.111 0.000 1.022 497 V CB -0.667 31.193 31.823 0.060 0.000 1.228 497 V HN 0.903 nan 8.190 nan 0.000 0.487 498 W N 5.595 126.883 121.300 -0.020 0.000 2.666 498 W HA 0.324 4.984 4.660 -0.001 0.000 0.365 498 W C 0.069 176.581 176.519 -0.012 0.000 1.224 498 W CA -0.586 56.749 57.345 -0.017 0.000 1.515 498 W CB -0.282 29.161 29.460 -0.029 0.000 1.562 498 W HN 0.420 nan 8.180 nan 0.000 0.455 499 N N 2.454 121.236 118.700 0.137 0.000 2.518 499 N HA 0.581 5.320 4.740 -0.001 0.000 0.284 499 N C 0.218 175.723 175.510 -0.009 0.000 1.230 499 N CA -0.254 52.783 53.050 -0.022 0.000 0.941 499 N CB 1.311 39.807 38.487 0.016 0.000 1.219 499 N HN 0.399 nan 8.380 nan 0.000 0.560 500 G N 0.080 108.852 108.800 -0.045 0.000 2.614 500 G HA2 0.005 3.964 3.960 -0.001 0.000 0.239 500 G HA3 0.005 3.964 3.960 -0.001 0.000 0.239 500 G C 0.940 175.876 174.900 0.061 0.000 1.240 500 G CA -0.090 45.009 45.100 -0.002 0.000 0.842 500 G HN 0.745 nan 8.290 nan 0.000 0.584 501 K N 0.040 120.491 120.400 0.086 0.000 2.152 501 K HA -0.134 4.186 4.320 -0.001 0.000 0.206 501 K C 1.757 178.398 176.600 0.068 0.000 1.048 501 K CA 1.973 58.317 56.287 0.095 0.000 0.933 501 K CB -0.162 32.405 32.500 0.111 0.000 0.721 501 K HN 0.593 nan 8.250 nan 0.000 0.447 502 N N 0.337 119.068 118.700 0.050 0.000 2.392 502 N HA -0.003 4.736 4.740 -0.001 0.000 0.177 502 N C -0.134 175.393 175.510 0.029 0.000 1.066 502 N CA -0.048 53.025 53.050 0.038 0.000 0.895 502 N CB 0.333 38.839 38.487 0.031 0.000 0.988 502 N HN 0.201 nan 8.380 nan 0.000 0.457 503 D N -0.126 120.289 120.400 0.026 0.000 2.469 503 D HA 0.109 4.749 4.640 -0.001 0.000 0.278 503 D C -0.229 176.087 176.300 0.026 0.000 1.231 503 D CA 0.175 54.185 54.000 0.018 0.000 1.075 503 D CB 0.762 41.564 40.800 0.004 0.000 1.121 503 D HN -0.159 nan 8.370 nan 0.000 0.571 504 S N -0.818 114.895 115.700 0.021 0.000 2.473 504 S HA 0.487 4.957 4.470 -0.001 0.000 0.307 504 S C -0.705 173.915 174.600 0.032 0.000 1.094 504 S CA -0.482 57.733 58.200 0.026 0.000 1.070 504 S CB 0.703 63.913 63.200 0.017 0.000 1.019 504 S HN 0.329 nan 8.310 nan 0.000 0.480 505 S N 2.208 117.935 115.700 0.045 0.000 2.759 505 S HA 1.033 5.503 4.470 -0.001 0.000 0.310 505 S C -0.532 174.091 174.600 0.038 0.000 1.123 505 S CA -0.539 57.694 58.200 0.056 0.000 0.959 505 S CB 1.650 64.906 63.200 0.094 0.000 1.172 505 S HN 1.179 nan 8.310 nan 0.000 0.539 506 A N 0.281 123.124 122.820 0.038 0.000 2.540 506 A HA 0.710 5.029 4.320 -0.001 0.000 0.291 506 A C -2.299 175.290 177.584 0.009 0.000 1.083 506 A CA -0.727 51.317 52.037 0.012 0.000 0.650 506 A CB 0.603 19.601 19.000 -0.004 0.000 1.292 506 A HN 0.613 nan 8.150 nan 0.000 0.435 507 L N 0.975 122.176 121.223 -0.037 0.000 2.343 507 L HA 0.560 4.900 4.340 -0.001 0.000 0.278 507 L C -0.910 175.869 176.870 -0.151 0.000 0.996 507 L CA -0.950 53.853 54.840 -0.061 0.000 0.831 507 L CB 1.717 43.734 42.059 -0.070 0.000 1.232 507 L HN 0.449 nan 8.230 nan 0.000 0.413 508 V N 4.375 124.252 119.914 -0.062 0.000 2.407 508 V HA 0.365 4.484 4.120 -0.001 0.000 0.278 508 V C 0.154 176.183 176.094 -0.108 0.000 1.037 508 V CA -0.535 61.728 62.300 -0.062 0.000 0.900 508 V CB 2.027 33.892 31.823 0.071 0.000 0.983 508 V HN 0.411 nan 8.190 nan 0.000 0.459 509 V N 5.888 125.612 119.914 -0.317 0.000 2.483 509 V HA 0.531 4.650 4.120 -0.001 0.000 0.295 509 V C -0.088 175.910 176.094 -0.159 0.000 1.035 509 V CA -0.531 61.500 62.300 -0.448 0.000 0.896 509 V CB 1.902 33.226 31.823 -0.831 0.000 0.986 509 V HN 0.588 nan 8.190 nan 0.000 0.447 510 V N 2.714 122.622 119.914 -0.010 0.000 2.628 510 V HA 0.389 4.509 4.120 -0.001 0.000 0.306 510 V C -0.237 175.881 176.094 0.039 0.000 1.045 510 V CA -0.662 61.679 62.300 0.070 0.000 0.905 510 V CB 2.142 34.139 31.823 0.290 0.000 0.997 510 V HN 0.904 nan 8.190 nan 0.000 0.436 511 D N 2.621 123.039 120.400 0.030 0.000 2.402 511 D HA 0.050 4.689 4.640 -0.001 0.000 0.235 511 D C 0.845 177.226 176.300 0.135 0.000 1.226 511 D CA 0.048 54.081 54.000 0.055 0.000 0.918 511 D CB 1.167 41.975 40.800 0.015 0.000 1.043 511 D HN 0.718 nan 8.370 nan 0.000 0.506 512 D N 2.995 123.508 120.400 0.188 0.000 2.190 512 D HA -0.219 4.421 4.640 -0.001 0.000 0.200 512 D C 1.648 178.175 176.300 0.378 0.000 0.992 512 D CA 1.127 55.327 54.000 0.333 0.000 0.854 512 D CB 0.361 41.392 40.800 0.384 0.000 0.936 512 D HN 0.240 nan 8.370 nan 0.000 0.462 513 K N -0.502 120.046 120.400 0.247 0.000 2.103 513 K HA -0.060 4.260 4.320 -0.001 0.000 0.204 513 K C 1.683 178.405 176.600 0.203 0.000 1.052 513 K CA 1.712 58.129 56.287 0.216 0.000 0.945 513 K CB -0.240 32.339 32.500 0.132 0.000 0.722 513 K HN 0.374 nan 8.250 nan 0.000 0.443 514 T N -1.765 112.875 114.554 0.143 0.000 3.023 514 T HA 0.218 4.567 4.350 -0.001 0.000 0.253 514 T C 1.096 175.844 174.700 0.080 0.000 1.038 514 T CA -0.051 62.107 62.100 0.097 0.000 0.962 514 T CB -0.074 68.824 68.868 0.050 0.000 1.018 514 T HN 0.284 nan 8.240 nan 0.000 0.521 515 L N -0.406 120.872 121.223 0.091 0.000 4.179 515 L HA -0.208 4.132 4.340 -0.001 0.000 0.418 515 L C 0.132 177.078 176.870 0.126 0.000 1.168 515 L CA 0.723 55.614 54.840 0.085 0.000 0.972 515 L CB -1.681 40.372 42.059 -0.009 0.000 2.005 515 L HN 0.389 nan 8.230 nan 0.000 0.935 516 K N 0.273 120.695 120.400 0.036 0.000 2.123 516 K HA 0.543 4.862 4.320 -0.001 0.000 0.248 516 K C -0.109 176.320 176.600 -0.284 0.000 0.969 516 K CA -1.123 55.103 56.287 -0.101 0.000 0.882 516 K CB 1.890 34.329 32.500 -0.101 0.000 1.080 516 K HN -0.032 nan 8.250 nan 0.000 0.441 517 L N 2.577 123.383 121.223 -0.695 0.000 2.513 517 L HA 0.001 4.341 4.340 -0.001 0.000 0.272 517 L C 0.927 177.554 176.870 -0.405 0.000 1.187 517 L CA 1.076 55.441 54.840 -0.792 0.000 0.895 517 L CB 0.383 41.705 42.059 -1.229 0.000 1.147 517 L HN 0.670 nan 8.230 nan 0.000 0.483 518 K N 3.692 123.919 120.400 -0.288 0.000 2.306 518 K HA 0.522 4.841 4.320 -0.001 0.000 0.200 518 K C -0.031 176.439 176.600 -0.217 0.000 1.083 518 K CA 0.564 56.726 56.287 -0.208 0.000 0.959 518 K CB 0.478 32.888 32.500 -0.149 0.000 0.994 518 K HN 0.781 nan 8.250 nan 0.000 0.492 519 A N -0.088 122.577 122.820 -0.259 0.000 2.586 519 A HA 0.570 4.890 4.320 -0.001 0.000 0.290 519 A C -1.782 175.643 177.584 -0.265 0.000 1.086 519 A CA -0.687 51.200 52.037 -0.251 0.000 0.665 519 A CB 1.848 20.691 19.000 -0.262 0.000 1.279 519 A HN -0.090 nan 8.150 nan 0.000 0.423 520 V N 0.623 120.406 119.914 -0.219 0.000 2.612 520 V HA 0.451 4.571 4.120 -0.001 0.000 0.301 520 V C -0.802 175.195 176.094 -0.162 0.000 1.059 520 V CA -0.560 61.632 62.300 -0.180 0.000 0.886 520 V CB 1.614 33.370 31.823 -0.111 0.000 1.007 520 V HN 0.807 nan 8.190 nan 0.000 0.426 521 V N 5.383 125.189 119.914 -0.179 0.000 2.348 521 V HA 0.477 4.597 4.120 -0.001 0.000 0.270 521 V C 0.119 176.178 176.094 -0.059 0.000 1.037 521 V CA -0.505 61.722 62.300 -0.122 0.000 0.872 521 V CB 0.874 32.613 31.823 -0.139 0.000 1.002 521 V HN 0.814 nan 8.190 nan 0.000 0.464 522 K N 3.591 123.969 120.400 -0.037 0.000 2.318 522 K HA 0.708 5.028 4.320 -0.001 0.000 0.249 522 K C -1.286 175.313 176.600 -0.002 0.000 0.942 522 K CA -0.854 55.424 56.287 -0.014 0.000 0.808 522 K CB 2.605 35.096 32.500 -0.015 0.000 1.189 522 K HN 0.665 nan 8.250 nan 0.000 0.428 523 D N 1.785 122.191 120.400 0.010 0.000 2.747 523 D HA 0.060 4.700 4.640 -0.001 0.000 0.218 523 D C -2.169 174.144 176.300 0.022 0.000 1.230 523 D CA -1.159 52.850 54.000 0.016 0.000 0.774 523 D CB 2.029 42.842 40.800 0.022 0.000 1.667 523 D HN 0.202 nan 8.370 nan 0.000 0.499 524 P HA -0.089 nan 4.420 nan 0.000 0.221 524 P C 0.938 178.257 177.300 0.032 0.000 1.145 524 P CA 0.719 63.834 63.100 0.026 0.000 0.795 524 P CB 0.472 32.186 31.700 0.023 0.000 0.775 525 R N -0.924 119.596 120.500 0.033 0.000 2.240 525 R HA 0.110 4.450 4.340 -0.001 0.000 0.203 525 R C 1.072 177.397 176.300 0.041 0.000 1.011 525 R CA -0.181 55.941 56.100 0.038 0.000 1.007 525 R CB -0.457 29.865 30.300 0.037 0.000 0.911 525 R HN 0.122 nan 8.270 nan 0.000 0.468 526 L N 2.372 123.618 121.223 0.040 0.000 2.382 526 L HA 0.179 4.518 4.340 -0.001 0.000 0.259 526 L C -0.613 176.287 176.870 0.051 0.000 1.291 526 L CA 0.519 55.384 54.840 0.042 0.000 1.176 526 L CB -0.113 41.968 42.059 0.037 0.000 1.373 526 L HN 0.015 nan 8.230 nan 0.000 0.426 527 I N 3.908 124.511 120.570 0.055 0.000 2.315 527 I HA 0.170 4.339 4.170 -0.001 0.000 0.291 527 I C 0.690 176.858 176.117 0.086 0.000 1.006 527 I CA -0.462 60.881 61.300 0.072 0.000 1.265 527 I CB 1.031 39.074 38.000 0.070 0.000 1.387 527 I HN 0.688 nan 8.210 nan 0.000 0.475 528 T N 3.974 118.614 114.554 0.144 0.000 3.433 528 T HA -0.096 4.254 4.350 -0.001 0.000 0.412 528 T C -2.245 172.503 174.700 0.079 0.000 0.768 528 T CA -0.749 61.498 62.100 0.245 0.000 2.077 528 T CB -1.895 67.141 68.868 0.278 0.000 1.700 528 T HN 0.431 nan 8.240 nan 0.000 0.666 529 P HA 0.246 nan 4.420 nan 0.000 0.276 529 P C 0.973 178.136 177.300 -0.228 0.000 1.235 529 P CA 0.016 63.079 63.100 -0.062 0.000 0.772 529 P CB 1.612 33.315 31.700 0.005 0.000 0.871 530 T N 0.941 115.279 114.554 -0.360 0.000 3.409 530 T HA 0.339 4.688 4.350 -0.001 0.000 0.188 530 T C 1.030 175.505 174.700 -0.376 0.000 0.929 530 T CA 0.129 61.904 62.100 -0.540 0.000 1.184 530 T CB -0.831 67.552 68.868 -0.808 0.000 1.570 530 T HN 0.364 nan 8.240 nan 0.000 0.367 531 G N 1.724 110.310 108.800 -0.358 0.000 2.415 531 G HA2 0.573 4.532 3.960 -0.001 0.000 0.269 531 G HA3 0.573 4.532 3.960 -0.001 0.000 0.269 531 G C -1.123 173.493 174.900 -0.473 0.000 1.209 531 G CA -0.605 44.219 45.100 -0.460 0.000 0.835 531 G HN 0.573 nan 8.290 nan 0.000 0.534 532 K N 0.446 120.396 120.400 -0.751 0.000 2.427 532 K HA 0.508 4.828 4.320 -0.001 0.000 0.252 532 K C -1.680 174.440 176.600 -0.801 0.000 0.931 532 K CA -0.502 55.522 56.287 -0.439 0.000 0.793 532 K CB 2.448 34.851 32.500 -0.162 0.000 1.211 532 K HN 0.361 nan 8.250 nan 0.000 0.426 533 F N 1.465 121.413 119.950 -0.004 0.000 2.612 533 F HA 0.236 4.763 4.527 -0.000 0.000 0.332 533 F C 0.185 175.826 175.800 -0.265 0.000 1.167 533 F CA -0.936 57.006 58.000 -0.097 0.000 0.970 533 F CB 1.393 40.347 39.000 -0.076 0.000 1.234 533 F HN 0.453 nan 8.300 nan 0.000 0.453 534 N N 2.593 121.077 118.700 -0.359 0.000 2.468 534 N HA 0.054 4.793 4.740 -0.001 0.000 0.265 534 N C 1.076 176.436 175.510 -0.249 0.000 1.199 534 N CA 0.016 52.601 53.050 -0.775 0.000 0.928 534 N CB 1.372 39.361 38.487 -0.830 0.000 1.059 534 N HN 0.484 nan 8.380 nan 0.000 0.467 535 V N 4.805 124.597 119.914 -0.202 0.000 2.250 535 V HA -0.296 3.823 4.120 -0.001 0.000 0.250 535 V C 1.756 177.889 176.094 0.064 0.000 1.060 535 V CA 1.842 64.124 62.300 -0.030 0.000 1.030 535 V CB -1.042 30.782 31.823 0.001 0.000 0.643 535 V HN 0.738 nan 8.190 nan 0.000 0.445 536 Y N 1.852 122.147 120.300 -0.009 0.000 2.089 536 Y HA -0.237 4.313 4.550 -0.001 0.000 0.282 536 Y C 2.557 178.564 175.900 0.178 0.000 1.139 536 Y CA 2.209 60.382 58.100 0.121 0.000 1.123 536 Y CB -0.486 38.016 38.460 0.071 0.000 0.980 536 Y HN 0.322 nan 8.280 nan 0.000 0.493 537 N N -0.729 118.098 118.700 0.211 0.000 2.192 537 N HA -0.162 4.578 4.740 -0.001 0.000 0.188 537 N C 1.658 177.275 175.510 0.178 0.000 1.013 537 N CA 1.946 55.116 53.050 0.201 0.000 0.863 537 N CB -0.810 37.825 38.487 0.246 0.000 0.990 537 N HN 0.415 nan 8.380 nan 0.000 0.430 538 T N 0.351 114.980 114.554 0.126 0.000 2.851 538 T HA -0.091 4.258 4.350 -0.001 0.000 0.262 538 T C 1.803 176.529 174.700 0.044 0.000 1.043 538 T CA 0.745 62.919 62.100 0.124 0.000 1.140 538 T CB -0.055 68.859 68.868 0.076 0.000 0.872 538 T HN 0.307 nan 8.240 nan 0.000 0.446 539 Q N 0.294 120.067 119.800 -0.045 0.000 2.119 539 Q HA -0.117 4.222 4.340 -0.001 0.000 0.201 539 Q C 1.023 176.812 176.000 -0.352 0.000 0.972 539 Q CA 1.138 56.828 55.803 -0.190 0.000 0.847 539 Q CB 0.061 28.661 28.738 -0.230 0.000 0.903 539 Q HN 0.611 nan 8.270 nan 0.000 0.433 540 H N 0.433 119.394 119.070 -0.181 0.000 2.487 540 H HA 0.116 4.672 4.556 -0.001 0.000 0.290 540 H C -0.718 174.596 175.328 -0.022 0.000 1.081 540 H CA 0.120 56.068 56.048 -0.168 0.000 1.116 540 H CB 0.230 29.716 29.762 -0.461 0.000 1.560 540 H HN 0.385 nan 8.280 nan 0.000 0.548 541 D N 0.712 121.179 120.400 0.111 0.000 2.720 541 D HA -0.161 4.479 4.640 -0.001 0.000 0.229 541 D C -0.315 175.969 176.300 -0.027 0.000 1.198 541 D CA 0.264 54.349 54.000 0.142 0.000 0.639 541 D CB -0.920 39.853 40.800 -0.044 0.000 1.003 541 D HN 0.135 nan 8.370 nan 0.000 0.411 542 V N 1.563 121.551 119.914 0.123 0.000 2.326 542 V HA 0.345 4.464 4.120 -0.001 0.000 0.249 542 V C 0.066 176.259 176.094 0.166 0.000 1.114 542 V CA 0.144 62.479 62.300 0.059 0.000 1.028 542 V CB -1.058 30.828 31.823 0.104 0.000 1.170 542 V HN 0.356 nan 8.190 nan 0.000 0.494 543 Y N 0.000 120.407 120.300 0.179 0.000 2.660 543 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 543 Y CA 0.000 58.215 58.100 0.192 0.000 1.940 543 Y CB 0.000 38.609 38.460 0.248 0.000 1.050 543 Y HN 0.000 nan 8.280 nan 0.000 0.758