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 1n90_1_B DATA FIRST_RESID 5 DATA SEQUENCE KAAEQYQGAA SAVDPAHVVR TNGAPDMSES EFNEAKQIYF QRCAGCHGVL DATA SEQUENCE RKGATGKPLT PDITQQRGQQ YLEALITYGT PLGMPNWGSS GELSKEQITL DATA SEQUENCE MAKYIQHTPP QPPEWGMPEM RESWKVLVKP EDRPKKQLND LDLPNLFSVT DATA SEQUENCE LRDAGQIALV DGDSKKIVKV IDTGYAVHIS RMSASGRYLL VIGRDARIDM DATA SEQUENCE IDLWAKEPTK VAEIKIGIEA RSVESSKFKG YEDRYTIAGA YWPPQFAIMD DATA SEQUENCE GETLEPKQIV STRGMTVDTQ TYHPEPRVAA IIASHEHPEF IVNVKETGKV DATA SEQUENCE LLVNYKDIDN LTVTSIGAAP FLHDGGWDSS HRYFMTAANN SNKVAVIDSK DATA SEQUENCE DRRLSALVDV GKTPHPGRGA NFVHPKYGPV WSTSHLGDGS ISLIGTDPKN DATA SEQUENCE HPQYAWKKVA ELQGQGGGSL FIKTHPKSSH LYVDTTFNPD ARISQSVAVF DATA SEQUENCE DLKNLDAKYQ VLPIAEWADL GEGAKRVVQP EYNKRGDEVW FSVWNGKNDS DATA SEQUENCE SALVVVDDKT LKLKAVVKDP RLITPTGKFN VYNTQHDVY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.616 176.600 0.027 0.000 0.988 5 K CA 0.000 56.298 56.287 0.018 0.000 0.838 5 K CB 0.000 32.507 32.500 0.012 0.000 1.064 6 A N 1.733 124.566 122.820 0.022 0.000 1.873 6 A HA 0.074 4.394 4.320 0.000 0.000 0.215 6 A C 2.259 179.879 177.584 0.060 0.000 1.186 6 A CA 2.005 54.057 52.037 0.025 0.000 0.616 6 A CB -0.538 18.460 19.000 -0.003 0.000 0.823 6 A HN 0.297 nan 8.150 nan 0.000 0.442 7 A N -0.285 122.570 122.820 0.058 0.000 2.015 7 A HA -0.093 4.227 4.320 0.000 0.000 0.219 7 A C 1.839 179.513 177.584 0.149 0.000 1.163 7 A CA 1.417 53.527 52.037 0.123 0.000 0.646 7 A CB -0.429 18.618 19.000 0.079 0.000 0.806 7 A HN 0.649 nan 8.150 nan 0.000 0.448 8 E N -0.546 119.704 120.200 0.083 0.000 2.152 8 E HA -0.146 4.204 4.350 0.000 0.000 0.192 8 E C 1.856 178.488 176.600 0.054 0.000 0.983 8 E CA 0.907 57.340 56.400 0.056 0.000 0.818 8 E CB -0.054 29.666 29.700 0.033 0.000 0.758 8 E HN 0.540 nan 8.360 nan 0.000 0.467 9 Q N -0.418 119.425 119.800 0.071 0.000 2.269 9 Q HA -0.086 4.254 4.340 0.000 0.000 0.201 9 Q C 1.792 177.849 176.000 0.095 0.000 0.946 9 Q CA 0.627 56.467 55.803 0.062 0.000 0.877 9 Q CB -0.245 28.526 28.738 0.054 0.000 0.963 9 Q HN 0.379 nan 8.270 nan 0.000 0.472 10 Y N 2.167 122.463 120.300 -0.006 0.000 2.145 10 Y HA -0.168 4.382 4.550 0.001 0.000 0.286 10 Y C 1.146 177.042 175.900 -0.007 0.000 1.145 10 Y CA 1.693 59.789 58.100 -0.007 0.000 1.148 10 Y CB 0.089 38.545 38.460 -0.007 0.000 0.981 10 Y HN 0.088 nan 8.280 nan 0.000 0.507 11 Q N -0.605 119.115 119.800 -0.134 0.000 2.201 11 Q HA 0.220 4.560 4.340 0.000 0.000 0.217 11 Q C 1.615 177.550 176.000 -0.109 0.000 0.860 11 Q CA 0.283 55.953 55.803 -0.222 0.000 0.984 11 Q CB 0.349 29.008 28.738 -0.132 0.000 1.095 11 Q HN 0.551 nan 8.270 nan 0.000 0.477 12 G N 0.129 108.888 108.800 -0.070 0.000 2.777 12 G HA2 0.228 4.188 3.960 0.000 0.000 0.211 12 G HA3 0.228 4.188 3.960 0.000 0.000 0.211 12 G C 0.617 175.491 174.900 -0.044 0.000 1.149 12 G CA 0.274 45.350 45.100 -0.040 0.000 0.785 12 G HN 0.404 nan 8.290 nan 0.000 0.536 13 A N 0.304 123.086 122.820 -0.062 0.000 2.366 13 A HA 0.694 5.014 4.320 0.000 0.000 0.250 13 A C 0.870 178.426 177.584 -0.047 0.000 1.099 13 A CA 0.315 52.322 52.037 -0.051 0.000 0.794 13 A CB 0.115 19.079 19.000 -0.059 0.000 1.056 13 A HN 0.929 nan 8.150 nan 0.000 0.499 14 A N 0.452 123.250 122.820 -0.036 0.000 2.371 14 A HA 0.510 4.830 4.320 0.000 0.000 0.257 14 A C 0.820 178.382 177.584 -0.036 0.000 1.089 14 A CA 0.473 52.492 52.037 -0.031 0.000 0.794 14 A CB -0.107 18.880 19.000 -0.021 0.000 1.029 14 A HN 1.551 nan 8.150 nan 0.000 0.488 15 S N 1.025 116.706 115.700 -0.032 0.000 2.572 15 S HA 0.344 4.814 4.470 0.000 0.000 0.279 15 S C 1.222 175.806 174.600 -0.027 0.000 1.341 15 S CA 0.004 58.184 58.200 -0.034 0.000 1.043 15 S CB 0.728 63.911 63.200 -0.029 0.000 0.887 15 S HN 1.509 nan 8.310 nan 0.000 0.516 16 A N 4.162 126.964 122.820 -0.030 0.000 2.206 16 A HA 0.268 4.588 4.320 0.000 0.000 0.211 16 A C 0.614 178.185 177.584 -0.021 0.000 1.158 16 A CA 0.039 52.061 52.037 -0.026 0.000 0.761 16 A CB -0.351 18.630 19.000 -0.031 0.000 0.801 16 A HN 0.680 nan 8.150 nan 0.000 0.473 17 V N 1.667 121.571 119.914 -0.018 0.000 2.555 17 V HA 0.095 4.215 4.120 0.000 0.000 0.286 17 V C -0.041 176.062 176.094 0.014 0.000 1.044 17 V CA -0.497 61.798 62.300 -0.008 0.000 1.026 17 V CB 1.112 32.930 31.823 -0.009 0.000 0.981 17 V HN 0.407 nan 8.190 nan 0.000 0.480 18 D N 6.449 126.876 120.400 0.044 0.000 2.316 18 D HA 0.258 4.898 4.640 0.000 0.000 0.245 18 D C -1.501 174.852 176.300 0.089 0.000 1.171 18 D CA -2.108 51.946 54.000 0.091 0.000 0.856 18 D CB 1.920 42.839 40.800 0.198 0.000 1.090 18 D HN 0.211 nan 8.370 nan 0.000 0.476 19 P HA -0.151 nan 4.420 nan 0.000 0.217 19 P C 0.881 178.177 177.300 -0.006 0.000 1.148 19 P CA 1.381 64.489 63.100 0.013 0.000 0.828 19 P CB 0.207 31.907 31.700 -0.001 0.000 0.783 20 A N -1.325 121.480 122.820 -0.025 0.000 2.070 20 A HA -0.193 4.127 4.320 0.000 0.000 0.220 20 A C 1.447 178.867 177.584 -0.272 0.000 1.159 20 A CA 1.519 53.469 52.037 -0.145 0.000 0.656 20 A CB -1.410 17.476 19.000 -0.190 0.000 0.800 20 A HN 0.309 nan 8.150 nan 0.000 0.453 21 H N -1.912 117.149 119.070 -0.015 0.000 2.586 21 H HA 0.317 4.873 4.556 0.000 0.000 0.273 21 H C -0.372 174.946 175.328 -0.016 0.000 0.997 21 H CA 0.044 56.083 56.048 -0.015 0.000 1.177 21 H CB 0.505 30.258 29.762 -0.015 0.000 1.471 21 H HN 0.190 nan 8.280 nan 0.000 0.538 22 V N 2.879 122.824 119.914 0.052 0.000 2.385 22 V HA 0.165 4.285 4.120 0.000 0.000 0.269 22 V C 0.082 176.176 176.094 -0.001 0.000 1.043 22 V CA -0.844 61.471 62.300 0.026 0.000 0.906 22 V CB 1.021 32.853 31.823 0.015 0.000 0.995 22 V HN 0.128 nan 8.190 nan 0.000 0.467 23 V N 3.083 122.997 119.914 -0.001 0.000 2.435 23 V HA 0.615 4.735 4.120 0.000 0.000 0.290 23 V C 0.086 176.170 176.094 -0.016 0.000 1.030 23 V CA -1.026 61.266 62.300 -0.015 0.000 0.881 23 V CB 1.403 33.218 31.823 -0.013 0.000 0.983 23 V HN 0.868 nan 8.190 nan 0.000 0.445 24 R N 2.968 123.455 120.500 -0.023 0.000 2.298 24 R HA 0.387 4.727 4.340 0.000 0.000 0.310 24 R C -0.262 176.021 176.300 -0.029 0.000 1.068 24 R CA -0.153 55.933 56.100 -0.023 0.000 0.957 24 R CB 0.757 31.042 30.300 -0.026 0.000 1.003 24 R HN 0.937 nan 8.270 nan 0.000 0.454 25 T N 4.508 119.045 114.554 -0.028 0.000 2.817 25 T HA 0.321 4.671 4.350 0.000 0.000 0.293 25 T C -0.214 174.456 174.700 -0.050 0.000 0.964 25 T CA -0.395 61.682 62.100 -0.038 0.000 1.085 25 T CB 0.739 69.587 68.868 -0.033 0.000 0.921 25 T HN 0.650 nan 8.240 nan 0.000 0.502 26 N N 0.094 118.752 118.700 -0.070 0.000 3.321 26 N HA 0.317 5.057 4.740 0.000 0.000 0.318 26 N C 0.306 175.753 175.510 -0.105 0.000 1.340 26 N CA 0.516 53.509 53.050 -0.095 0.000 0.824 26 N CB 0.295 38.740 38.487 -0.070 0.000 1.780 26 N HN 0.854 nan 8.380 nan 0.000 0.393 27 G N -0.517 108.218 108.800 -0.108 0.000 2.131 27 G HA2 0.105 4.066 3.960 0.000 0.000 0.223 27 G HA3 0.105 4.066 3.960 0.000 0.000 0.223 27 G C 0.053 174.876 174.900 -0.128 0.000 0.990 27 G CA 0.838 45.882 45.100 -0.093 0.000 0.671 27 G HN 0.935 nan 8.290 nan 0.000 0.521 28 A N 0.515 123.202 122.820 -0.221 0.000 2.302 28 A HA 0.831 5.151 4.320 0.000 0.000 0.285 28 A C -1.415 176.047 177.584 -0.202 0.000 1.105 28 A CA -1.079 50.760 52.037 -0.329 0.000 0.816 28 A CB 0.568 19.071 19.000 -0.829 0.000 1.067 28 A HN 0.243 nan 8.150 nan 0.000 0.489 29 P HA 0.139 nan 4.420 nan 0.000 0.271 29 P C -0.940 176.467 177.300 0.178 0.000 1.216 29 P CA -0.155 62.977 63.100 0.053 0.000 0.771 29 P CB 0.414 32.160 31.700 0.075 0.000 0.864 30 D N 3.341 123.818 120.400 0.128 0.000 2.425 30 D HA 0.219 4.859 4.640 0.000 0.000 0.247 30 D C 0.524 176.917 176.300 0.155 0.000 1.147 30 D CA 0.793 54.883 54.000 0.149 0.000 0.879 30 D CB 0.162 41.011 40.800 0.081 0.000 1.179 30 D HN 0.356 nan 8.370 nan 0.000 0.456 31 M N -0.630 119.065 119.600 0.157 0.000 2.322 31 M HA 0.358 4.838 4.480 0.000 0.000 0.285 31 M C -0.256 176.095 176.300 0.086 0.000 1.119 31 M CA -0.963 54.407 55.300 0.118 0.000 0.953 31 M CB 1.910 34.593 32.600 0.138 0.000 1.701 31 M HN 0.201 nan 8.290 nan 0.000 0.479 32 S N 0.944 116.685 115.700 0.067 0.000 2.617 32 S HA 0.126 4.596 4.470 0.000 0.000 0.255 32 S C 0.763 175.401 174.600 0.063 0.000 1.318 32 S CA 0.458 58.686 58.200 0.046 0.000 0.978 32 S CB 1.027 64.249 63.200 0.036 0.000 0.961 32 S HN 0.953 nan 8.310 nan 0.000 0.582 33 E N 0.259 120.482 120.200 0.038 0.000 2.047 33 E HA -0.153 4.197 4.350 0.000 0.000 0.191 33 E C 2.236 178.889 176.600 0.087 0.000 0.987 33 E CA 1.214 57.644 56.400 0.050 0.000 0.799 33 E CB -0.430 29.279 29.700 0.016 0.000 0.752 33 E HN 0.712 nan 8.360 nan 0.000 0.449 34 S N 0.232 115.964 115.700 0.054 0.000 2.365 34 S HA -0.259 4.212 4.470 0.000 0.000 0.225 34 S C 1.753 176.380 174.600 0.045 0.000 1.039 34 S CA 1.897 60.122 58.200 0.042 0.000 1.033 34 S CB -0.298 62.918 63.200 0.026 0.000 0.887 34 S HN 0.334 nan 8.310 nan 0.000 0.447 35 E N -0.580 119.655 120.200 0.058 0.000 2.047 35 E HA -0.087 4.263 4.350 0.000 0.000 0.191 35 E C 1.857 178.489 176.600 0.053 0.000 0.987 35 E CA 1.293 57.721 56.400 0.046 0.000 0.799 35 E CB -0.366 29.368 29.700 0.057 0.000 0.752 35 E HN 0.667 nan 8.360 nan 0.000 0.449 36 F N 2.630 122.559 119.950 -0.036 0.000 2.134 36 F HA -0.179 4.348 4.527 0.000 0.000 0.299 36 F C 1.855 177.636 175.800 -0.033 0.000 1.097 36 F CA 1.343 59.330 58.000 -0.021 0.000 1.264 36 F CB -0.006 38.968 39.000 -0.043 0.000 1.001 36 F HN -0.066 nan 8.300 nan 0.000 0.479 37 N N 0.312 119.123 118.700 0.185 0.000 2.270 37 N HA -0.182 4.558 4.740 0.000 0.000 0.181 37 N C 1.873 177.345 175.510 -0.064 0.000 1.016 37 N CA 1.279 54.379 53.050 0.083 0.000 0.870 37 N CB -0.559 37.991 38.487 0.105 0.000 0.979 37 N HN 0.534 nan 8.380 nan 0.000 0.431 38 E N 0.872 121.025 120.200 -0.078 0.000 2.106 38 E HA -0.060 4.290 4.350 0.000 0.000 0.192 38 E C 1.766 178.240 176.600 -0.211 0.000 0.984 38 E CA 0.835 57.170 56.400 -0.108 0.000 0.806 38 E CB 0.075 29.731 29.700 -0.073 0.000 0.750 38 E HN 0.287 nan 8.360 nan 0.000 0.458 39 A N 1.594 124.212 122.820 -0.336 0.000 1.873 39 A HA -0.188 4.132 4.320 0.000 0.000 0.215 39 A C 2.121 179.214 177.584 -0.819 0.000 1.186 39 A CA 1.633 53.330 52.037 -0.566 0.000 0.616 39 A CB -0.470 18.125 19.000 -0.676 0.000 0.823 39 A HN 0.181 nan 8.150 nan 0.000 0.442 40 K N -0.539 119.323 120.400 -0.896 0.000 2.103 40 K HA -0.249 4.071 4.320 0.000 0.000 0.207 40 K C 2.309 178.872 176.600 -0.060 0.000 1.048 40 K CA 1.820 57.767 56.287 -0.567 0.000 0.930 40 K CB -0.182 32.200 32.500 -0.197 0.000 0.716 40 K HN 0.650 nan 8.250 nan 0.000 0.444 41 Q N 0.554 120.300 119.800 -0.091 0.000 2.020 41 Q HA -0.151 4.189 4.340 0.000 0.000 0.202 41 Q C 2.096 178.075 176.000 -0.037 0.000 0.982 41 Q CA 1.729 57.528 55.803 -0.006 0.000 0.838 41 Q CB -0.063 28.650 28.738 -0.042 0.000 0.899 41 Q HN 0.395 nan 8.270 nan 0.000 0.423 42 I N 0.015 120.497 120.570 -0.147 0.000 2.264 42 I HA -0.293 3.877 4.170 0.000 0.000 0.248 42 I C 2.191 178.158 176.117 -0.251 0.000 1.111 42 I CA 1.195 62.376 61.300 -0.199 0.000 1.382 42 I CB -0.407 37.443 38.000 -0.249 0.000 1.060 42 I HN 0.349 nan 8.210 nan 0.000 0.418 43 Y N 1.116 121.188 120.300 -0.380 0.000 2.165 43 Y HA -0.278 4.272 4.550 0.000 0.000 0.286 43 Y C 2.124 177.776 175.900 -0.413 0.000 1.155 43 Y CA 1.801 59.636 58.100 -0.442 0.000 1.164 43 Y CB -0.335 37.794 38.460 -0.551 0.000 0.978 43 Y HN -0.016 nan 8.280 nan 0.000 0.513 44 F N -0.219 119.669 119.950 -0.103 0.000 2.512 44 F HA -0.060 4.467 4.527 0.000 0.000 0.296 44 F C 2.336 178.063 175.800 -0.121 0.000 1.110 44 F CA 1.015 58.959 58.000 -0.094 0.000 1.446 44 F CB -0.310 38.697 39.000 0.011 0.000 1.092 44 F HN 0.058 nan 8.300 nan 0.000 0.554 45 Q N -0.473 119.334 119.800 0.013 0.000 2.096 45 Q HA -0.058 4.282 4.340 0.000 0.000 0.197 45 Q C 1.970 177.924 176.000 -0.077 0.000 0.964 45 Q CA 0.906 56.703 55.803 -0.010 0.000 0.838 45 Q CB 0.151 28.876 28.738 -0.022 0.000 0.906 45 Q HN 0.173 nan 8.270 nan 0.000 0.444 46 R N -1.179 119.184 120.500 -0.228 0.000 2.191 46 R HA 0.150 4.490 4.340 0.000 0.000 0.196 46 R C 1.956 178.055 176.300 -0.334 0.000 0.991 46 R CA 0.658 56.580 56.100 -0.298 0.000 1.075 46 R CB -0.338 29.583 30.300 -0.632 0.000 1.040 46 R HN 0.263 nan 8.270 nan 0.000 0.526 47 C N 0.240 119.213 119.300 -0.545 0.000 2.520 47 C HA 0.373 4.833 4.460 0.000 0.000 0.291 47 C C 2.702 177.383 174.990 -0.514 0.000 1.364 47 C CA 0.200 58.898 59.018 -0.534 0.000 1.781 47 C CB -0.689 26.567 27.740 -0.806 0.000 2.171 47 C HN 0.446 nan 8.230 nan 0.000 0.516 48 A N 1.856 124.139 122.820 -0.895 0.000 1.971 48 A HA -0.092 4.228 4.320 0.000 0.000 0.222 48 A C 2.325 179.850 177.584 -0.099 0.000 1.182 48 A CA 2.504 54.245 52.037 -0.494 0.000 0.649 48 A CB -1.486 17.268 19.000 -0.409 0.000 0.818 48 A HN 0.606 nan 8.150 nan 0.000 0.458 49 G N -1.106 107.664 108.800 -0.050 0.000 2.529 49 G HA2 -0.359 3.601 3.960 0.000 0.000 0.219 49 G HA3 -0.359 3.601 3.960 0.000 0.000 0.219 49 G C 1.611 176.538 174.900 0.045 0.000 1.177 49 G CA 1.521 46.655 45.100 0.057 0.000 0.773 49 G HN 0.576 nan 8.290 nan 0.000 0.573 50 C N -1.043 118.252 119.300 -0.008 0.000 2.519 50 C HA 0.206 4.667 4.460 0.000 0.000 0.281 50 C C 2.383 177.320 174.990 -0.089 0.000 1.331 50 C CA 0.381 59.355 59.018 -0.073 0.000 1.725 50 C CB -0.900 26.742 27.740 -0.163 0.000 2.079 50 C HN 0.507 nan 8.230 nan 0.000 0.496 51 H N 0.697 119.767 119.070 0.000 0.000 2.547 51 H HA 0.219 4.775 4.556 0.000 0.000 0.272 51 H C 1.518 176.902 175.328 0.094 0.000 0.989 51 H CA 1.278 57.359 56.048 0.056 0.000 1.214 51 H CB -0.323 29.483 29.762 0.073 0.000 1.389 51 H HN 0.603 nan 8.280 nan 0.000 0.577 52 G N -0.033 108.865 108.800 0.163 0.000 2.814 52 G HA2 -0.264 3.696 3.960 0.000 0.000 0.677 52 G HA3 -0.264 3.696 3.960 0.000 0.000 0.677 52 G C 0.955 175.955 174.900 0.166 0.000 1.429 52 G CA -0.121 45.072 45.100 0.154 0.000 0.868 52 G HN 0.140 nan 8.290 nan 0.000 0.553 53 V N 0.509 120.486 119.914 0.104 0.000 2.427 53 V HA -0.062 4.058 4.120 0.000 0.000 0.248 53 V C 2.533 178.597 176.094 -0.050 0.000 1.051 53 V CA 2.417 64.729 62.300 0.019 0.000 1.048 53 V CB -0.467 31.160 31.823 -0.327 0.000 0.666 53 V HN 0.503 nan 8.190 nan 0.000 0.456 54 L N -0.670 120.537 121.223 -0.027 0.000 2.667 54 L HA 0.320 4.660 4.340 0.000 0.000 0.232 54 L C 0.816 177.682 176.870 -0.007 0.000 1.138 54 L CA -0.031 54.791 54.840 -0.029 0.000 0.921 54 L CB -0.062 42.012 42.059 0.025 0.000 1.180 54 L HN 0.282 nan 8.230 nan 0.000 0.487 55 R N 0.174 120.710 120.500 0.060 0.000 3.532 55 R HA -0.178 4.162 4.340 0.000 0.000 0.284 55 R C 0.119 176.497 176.300 0.130 0.000 1.140 55 R CA 0.594 56.766 56.100 0.119 0.000 0.768 55 R CB -1.934 28.360 30.300 -0.010 0.000 1.252 55 R HN 0.375 nan 8.270 nan 0.000 0.454 56 K N -0.864 119.613 120.400 0.129 0.000 2.592 56 K HA 0.155 4.475 4.320 0.000 0.000 0.203 56 K C 1.417 178.175 176.600 0.264 0.000 1.070 56 K CA 0.423 56.782 56.287 0.120 0.000 1.062 56 K CB 1.355 33.789 32.500 -0.111 0.000 0.814 56 K HN 0.310 nan 8.250 nan 0.000 0.502 57 G N 0.712 109.657 108.800 0.242 0.000 2.603 57 G HA2 0.107 4.067 3.960 0.000 0.000 0.214 57 G HA3 0.107 4.067 3.960 0.000 0.000 0.214 57 G C 0.590 175.622 174.900 0.220 0.000 1.140 57 G CA 0.157 45.388 45.100 0.218 0.000 0.800 57 G HN 0.307 nan 8.290 nan 0.000 0.533 58 A N 0.240 123.129 122.820 0.115 0.000 2.242 58 A HA 0.683 5.003 4.320 0.000 0.000 0.304 58 A C 0.821 178.460 177.584 0.093 0.000 1.100 58 A CA 0.221 52.246 52.037 -0.020 0.000 0.860 58 A CB 0.197 18.987 19.000 -0.350 0.000 1.168 58 A HN 0.408 nan 8.150 nan 0.000 0.503 59 T N -1.632 112.894 114.554 -0.047 0.000 2.828 59 T HA 0.568 4.918 4.350 0.000 0.000 0.290 59 T C 0.827 175.558 174.700 0.052 0.000 1.019 59 T CA 0.388 62.494 62.100 0.010 0.000 1.031 59 T CB 0.563 69.345 68.868 -0.144 0.000 1.001 59 T HN 2.603 nan 8.240 nan 0.000 0.531 60 G N 0.940 109.786 108.800 0.078 0.000 2.681 60 G HA2 -0.156 3.804 3.960 0.000 0.000 0.220 60 G HA3 -0.156 3.804 3.960 0.000 0.000 0.220 60 G C -0.714 174.246 174.900 0.101 0.000 1.353 60 G CA -0.507 44.642 45.100 0.082 0.000 0.872 60 G HN 0.964 nan 8.290 nan 0.000 0.557 61 K N 1.790 122.246 120.400 0.094 0.000 2.401 61 K HA 0.381 4.701 4.320 0.000 0.000 0.278 61 K C -1.779 174.885 176.600 0.108 0.000 1.018 61 K CA -0.712 55.623 56.287 0.080 0.000 0.981 61 K CB 0.544 33.073 32.500 0.050 0.000 0.933 61 K HN 0.369 nan 8.250 nan 0.000 0.477 62 P HA 0.019 nan 4.420 nan 0.000 0.272 62 P C -0.148 177.186 177.300 0.056 0.000 1.240 62 P CA -0.118 63.037 63.100 0.092 0.000 0.791 62 P CB 0.503 32.227 31.700 0.039 0.000 0.978 63 L N 0.054 121.297 121.223 0.035 0.000 2.851 63 L HA 0.138 4.478 4.340 0.000 0.000 0.237 63 L C 0.907 177.732 176.870 -0.076 0.000 1.257 63 L CA -0.188 54.627 54.840 -0.041 0.000 1.061 63 L CB -1.132 40.855 42.059 -0.121 0.000 1.372 63 L HN 0.418 nan 8.230 nan 0.000 0.493 64 T N -4.127 110.395 114.554 -0.054 0.000 2.882 64 T HA 0.232 4.582 4.350 0.000 0.000 0.287 64 T C -1.733 172.924 174.700 -0.071 0.000 1.014 64 T CA -1.665 60.393 62.100 -0.069 0.000 1.049 64 T CB 1.398 70.237 68.868 -0.049 0.000 1.001 64 T HN -0.127 nan 8.240 nan 0.000 0.525 65 P HA -0.189 nan 4.420 nan 0.000 0.217 65 P C 1.416 178.677 177.300 -0.065 0.000 1.151 65 P CA 1.404 64.457 63.100 -0.079 0.000 0.849 65 P CB -0.040 31.611 31.700 -0.081 0.000 0.787 66 D N -0.600 119.769 120.400 -0.052 0.000 2.104 66 D HA -0.175 4.465 4.640 0.000 0.000 0.194 66 D C 1.765 178.035 176.300 -0.049 0.000 0.994 66 D CA 1.483 55.457 54.000 -0.044 0.000 0.830 66 D CB -1.079 39.702 40.800 -0.031 0.000 0.959 66 D HN 0.105 nan 8.370 nan 0.000 0.452 67 I N 1.451 121.992 120.570 -0.049 0.000 2.235 67 I HA -0.155 4.015 4.170 0.000 0.000 0.241 67 I C 2.749 178.821 176.117 -0.075 0.000 1.085 67 I CA 1.665 62.930 61.300 -0.057 0.000 1.378 67 I CB -1.703 36.273 38.000 -0.041 0.000 1.076 67 I HN 0.248 nan 8.210 nan 0.000 0.415 68 T N -0.481 114.034 114.554 -0.065 0.000 2.759 68 T HA -0.233 4.117 4.350 0.000 0.000 0.269 68 T C 1.751 176.414 174.700 -0.061 0.000 1.042 68 T CA 1.263 63.327 62.100 -0.061 0.000 1.140 68 T CB -0.563 68.274 68.868 -0.052 0.000 0.864 68 T HN 0.393 nan 8.240 nan 0.000 0.455 69 Q N 0.526 120.288 119.800 -0.064 0.000 2.224 69 Q HA -0.082 4.258 4.340 0.000 0.000 0.203 69 Q C 2.535 178.500 176.000 -0.058 0.000 0.970 69 Q CA 1.193 56.961 55.803 -0.058 0.000 0.865 69 Q CB -0.212 28.488 28.738 -0.064 0.000 0.922 69 Q HN 0.718 nan 8.270 nan 0.000 0.445 70 Q N 0.503 120.260 119.800 -0.072 0.000 2.079 70 Q HA -0.159 4.181 4.340 0.000 0.000 0.200 70 Q C 1.974 177.906 176.000 -0.114 0.000 0.974 70 Q CA 0.918 56.672 55.803 -0.081 0.000 0.840 70 Q CB 0.251 28.939 28.738 -0.085 0.000 0.898 70 Q HN 0.170 nan 8.270 nan 0.000 0.430 71 R N -0.115 120.285 120.500 -0.167 0.000 2.066 71 R HA 0.063 4.403 4.340 0.000 0.000 0.232 71 R C 1.028 177.279 176.300 -0.083 0.000 1.131 71 R CA 1.143 57.075 56.100 -0.280 0.000 0.955 71 R CB -0.948 29.100 30.300 -0.420 0.000 0.851 71 R HN 0.429 nan 8.270 nan 0.000 0.432 72 G N -0.039 108.747 108.800 -0.023 0.000 2.663 72 G HA2 -0.204 3.756 3.960 0.000 0.000 0.686 72 G HA3 -0.204 3.756 3.960 0.000 0.000 0.686 72 G C 0.266 175.211 174.900 0.076 0.000 1.288 72 G CA -0.135 44.983 45.100 0.029 0.000 0.836 72 G HN 0.064 nan 8.290 nan 0.000 0.584 73 Q N -0.130 119.709 119.800 0.063 0.000 2.014 73 Q HA -0.172 4.168 4.340 0.000 0.000 0.207 73 Q C 2.886 178.944 176.000 0.095 0.000 0.993 73 Q CA 2.733 58.578 55.803 0.071 0.000 0.850 73 Q CB -0.412 28.358 28.738 0.054 0.000 0.916 73 Q HN 0.778 nan 8.270 nan 0.000 0.417 74 Q N -0.790 119.068 119.800 0.097 0.000 2.045 74 Q HA -0.226 4.114 4.340 0.000 0.000 0.206 74 Q C 1.958 178.039 176.000 0.135 0.000 0.991 74 Q CA 1.958 57.821 55.803 0.100 0.000 0.851 74 Q CB -0.457 28.334 28.738 0.089 0.000 0.911 74 Q HN 0.380 nan 8.270 nan 0.000 0.418 75 Y N 1.206 121.532 120.300 0.043 0.000 2.128 75 Y HA -0.242 4.308 4.550 0.000 0.000 0.284 75 Y C 1.806 177.741 175.900 0.060 0.000 1.154 75 Y CA 1.483 59.613 58.100 0.051 0.000 1.149 75 Y CB -0.274 38.209 38.460 0.038 0.000 0.976 75 Y HN 0.027 nan 8.280 nan 0.000 0.505 76 L N -0.108 121.324 121.223 0.348 0.000 2.012 76 L HA -0.250 4.090 4.340 0.000 0.000 0.210 76 L C 2.469 179.413 176.870 0.123 0.000 1.073 76 L CA 1.961 56.944 54.840 0.238 0.000 0.748 76 L CB -0.702 41.450 42.059 0.154 0.000 0.891 76 L HN 0.262 nan 8.230 nan 0.000 0.431 77 E N 0.104 120.358 120.200 0.090 0.000 2.058 77 E HA -0.255 4.095 4.350 0.000 0.000 0.194 77 E C 2.294 178.915 176.600 0.035 0.000 0.997 77 E CA 1.275 57.705 56.400 0.051 0.000 0.801 77 E CB -0.192 29.535 29.700 0.045 0.000 0.746 77 E HN 0.513 nan 8.360 nan 0.000 0.450 78 A N 1.320 124.169 122.820 0.049 0.000 1.883 78 A HA -0.190 4.130 4.320 0.000 0.000 0.217 78 A C 2.205 179.841 177.584 0.088 0.000 1.186 78 A CA 1.163 53.258 52.037 0.096 0.000 0.624 78 A CB -0.733 18.284 19.000 0.028 0.000 0.822 78 A HN 0.248 nan 8.150 nan 0.000 0.444 79 L N -0.525 120.683 121.223 -0.024 0.000 2.046 79 L HA -0.146 4.194 4.340 0.000 0.000 0.208 79 L C 2.370 179.300 176.870 0.101 0.000 1.077 79 L CA 1.541 56.390 54.840 0.016 0.000 0.747 79 L CB -0.223 41.861 42.059 0.041 0.000 0.896 79 L HN 0.443 nan 8.230 nan 0.000 0.432 80 I N -1.143 119.492 120.570 0.107 0.000 2.394 80 I HA -0.259 3.911 4.170 0.000 0.000 0.251 80 I C 2.255 178.448 176.117 0.126 0.000 1.136 80 I CA 1.353 62.754 61.300 0.168 0.000 1.425 80 I CB -0.459 37.602 38.000 0.102 0.000 1.079 80 I HN 0.254 nan 8.210 nan 0.000 0.425 81 T N -0.245 114.276 114.554 -0.054 0.000 2.737 81 T HA -0.152 4.198 4.350 0.000 0.000 0.265 81 T C 1.501 175.912 174.700 -0.481 0.000 1.038 81 T CA 1.650 63.557 62.100 -0.322 0.000 1.144 81 T CB -0.241 68.263 68.868 -0.606 0.000 0.866 81 T HN 0.281 nan 8.240 nan 0.000 0.434 82 Y N 0.694 120.997 120.300 0.005 0.000 2.507 82 Y HA 0.431 4.981 4.550 0.000 0.000 0.263 82 Y C 1.775 177.650 175.900 -0.043 0.000 1.093 82 Y CA -0.051 58.032 58.100 -0.028 0.000 1.285 82 Y CB -0.270 38.166 38.460 -0.041 0.000 1.115 82 Y HN 0.406 nan 8.280 nan 0.000 0.533 83 G N 0.611 109.469 108.800 0.096 0.000 2.693 83 G HA2 -0.047 3.913 3.960 0.000 0.000 0.226 83 G HA3 -0.047 3.913 3.960 0.000 0.000 0.226 83 G C -0.235 174.699 174.900 0.057 0.000 1.354 83 G CA -0.232 44.899 45.100 0.052 0.000 0.873 83 G HN 0.624 nan 8.290 nan 0.000 0.562 84 T N -2.683 111.888 114.554 0.029 0.000 2.883 84 T HA 0.772 5.122 4.350 0.000 0.000 0.301 84 T C -2.065 172.633 174.700 -0.003 0.000 1.158 84 T CA -0.222 61.891 62.100 0.022 0.000 1.007 84 T CB 2.763 71.655 68.868 0.040 0.000 1.186 84 T HN 0.757 nan 8.240 nan 0.000 0.499 85 P HA 0.257 nan 4.420 nan 0.000 0.253 85 P C 0.562 177.849 177.300 -0.022 0.000 1.281 85 P CA 0.053 63.141 63.100 -0.019 0.000 0.792 85 P CB -0.011 31.680 31.700 -0.016 0.000 1.193 86 L N -1.163 120.049 121.223 -0.018 0.000 2.872 86 L HA 0.404 4.744 4.340 0.000 0.000 0.245 86 L C 1.382 178.225 176.870 -0.045 0.000 1.211 86 L CA 0.376 55.200 54.840 -0.027 0.000 1.013 86 L CB -0.166 41.886 42.059 -0.013 0.000 1.326 86 L HN 0.103 nan 8.230 nan 0.000 0.525 87 G N 0.386 109.157 108.800 -0.049 0.000 2.253 87 G HA2 -0.270 3.690 3.960 0.000 0.000 0.209 87 G HA3 -0.270 3.690 3.960 0.000 0.000 0.209 87 G C 0.102 174.971 174.900 -0.051 0.000 0.997 87 G CA -0.120 44.939 45.100 -0.068 0.000 0.640 87 G HN 0.186 nan 8.290 nan 0.000 0.496 88 M N 4.197 123.790 119.600 -0.013 0.000 2.135 88 M HA 0.532 5.012 4.480 0.000 0.000 0.345 88 M C -1.864 174.426 176.300 -0.017 0.000 1.340 88 M CA -3.173 52.153 55.300 0.043 0.000 1.162 88 M CB 0.569 33.235 32.600 0.111 0.000 1.570 88 M HN 0.101 nan 8.290 nan 0.000 0.454 89 P HA 0.082 nan 4.420 nan 0.000 0.271 89 P C -1.188 175.846 177.300 -0.442 0.000 1.244 89 P CA -0.055 62.834 63.100 -0.351 0.000 0.793 89 P CB 0.227 31.552 31.700 -0.626 0.000 0.984 90 N N 0.579 118.998 118.700 -0.467 0.000 2.462 90 N HA 0.066 4.806 4.740 0.000 0.000 0.242 90 N C -0.137 175.105 175.510 -0.447 0.000 1.010 90 N CA -0.535 52.322 53.050 -0.323 0.000 0.939 90 N CB 0.397 38.787 38.487 -0.161 0.000 1.127 90 N HN 0.462 nan 8.380 nan 0.000 0.509 91 W N 1.983 123.239 121.300 -0.073 0.000 2.737 91 W HA 0.268 4.928 4.660 0.000 0.000 0.262 91 W C 1.994 178.452 176.519 -0.101 0.000 1.282 91 W CA 0.249 57.549 57.345 -0.075 0.000 1.386 91 W CB 0.263 29.685 29.460 -0.064 0.000 1.099 91 W HN 0.689 nan 8.180 nan 0.000 0.621 92 G N -0.720 108.078 108.800 -0.005 0.000 2.486 92 G HA2 -0.122 3.838 3.960 0.000 0.000 0.210 92 G HA3 -0.122 3.838 3.960 0.000 0.000 0.210 92 G C 1.553 176.385 174.900 -0.113 0.000 1.168 92 G CA 0.798 45.844 45.100 -0.089 0.000 0.820 92 G HN 0.067 nan 8.290 nan 0.000 0.544 93 S N 1.343 116.946 115.700 -0.160 0.000 2.400 93 S HA -0.162 4.308 4.470 0.000 0.000 0.232 93 S C 2.700 177.266 174.600 -0.056 0.000 1.025 93 S CA 1.776 59.928 58.200 -0.080 0.000 0.993 93 S CB -0.246 62.941 63.200 -0.021 0.000 0.808 93 S HN 0.599 nan 8.310 nan 0.000 0.478 94 S N 0.362 116.014 115.700 -0.080 0.000 2.436 94 S HA 0.254 4.724 4.470 0.000 0.000 0.228 94 S C 1.652 176.229 174.600 -0.038 0.000 1.014 94 S CA 0.861 59.016 58.200 -0.076 0.000 0.950 94 S CB -0.377 62.742 63.200 -0.135 0.000 0.784 94 S HN 0.823 nan 8.310 nan 0.000 0.504 95 G N 0.897 109.685 108.800 -0.020 0.000 2.141 95 G HA2 -0.231 3.729 3.960 0.000 0.000 0.231 95 G HA3 -0.231 3.729 3.960 0.000 0.000 0.231 95 G C 0.661 175.581 174.900 0.032 0.000 0.984 95 G CA 0.370 45.471 45.100 0.002 0.000 0.660 95 G HN 0.403 nan 8.290 nan 0.000 0.525 96 E N -0.368 119.870 120.200 0.064 0.000 2.031 96 E HA 0.046 4.396 4.350 0.000 0.000 0.193 96 E C 1.569 178.255 176.600 0.143 0.000 0.994 96 E CA 0.903 57.388 56.400 0.142 0.000 0.800 96 E CB 0.002 29.875 29.700 0.288 0.000 0.752 96 E HN 0.628 nan 8.360 nan 0.000 0.447 97 L N 0.657 121.972 121.223 0.153 0.000 2.322 97 L HA 0.247 4.587 4.340 0.000 0.000 0.269 97 L C 0.487 177.378 176.870 0.036 0.000 1.012 97 L CA -0.709 54.178 54.840 0.078 0.000 0.815 97 L CB 1.814 43.914 42.059 0.068 0.000 1.295 97 L HN -0.026 nan 8.230 nan 0.000 0.438 98 S N -0.012 115.693 115.700 0.009 0.000 2.632 98 S HA 0.188 4.658 4.470 0.000 0.000 0.271 98 S C 0.642 175.237 174.600 -0.009 0.000 1.260 98 S CA -0.616 57.583 58.200 -0.002 0.000 1.010 98 S CB 1.905 65.102 63.200 -0.005 0.000 0.965 98 S HN 0.605 nan 8.310 nan 0.000 0.534 99 K N 1.018 121.411 120.400 -0.012 0.000 2.147 99 K HA -0.085 4.235 4.320 0.000 0.000 0.205 99 K C 1.549 178.143 176.600 -0.009 0.000 1.049 99 K CA 1.700 57.979 56.287 -0.014 0.000 0.936 99 K CB -0.761 31.733 32.500 -0.010 0.000 0.722 99 K HN 0.745 nan 8.250 nan 0.000 0.446 100 E N 0.388 120.583 120.200 -0.008 0.000 2.077 100 E HA -0.135 4.215 4.350 0.000 0.000 0.193 100 E C 2.078 178.667 176.600 -0.017 0.000 0.989 100 E CA 1.449 57.844 56.400 -0.008 0.000 0.800 100 E CB -0.068 29.627 29.700 -0.007 0.000 0.746 100 E HN 0.452 nan 8.360 nan 0.000 0.452 101 Q N -0.314 119.470 119.800 -0.027 0.000 2.172 101 Q HA 0.008 4.348 4.340 0.000 0.000 0.200 101 Q C 2.130 178.096 176.000 -0.056 0.000 0.964 101 Q CA 0.781 56.554 55.803 -0.049 0.000 0.855 101 Q CB 0.047 28.750 28.738 -0.057 0.000 0.918 101 Q HN 0.335 nan 8.270 nan 0.000 0.444 102 I N 0.119 120.667 120.570 -0.037 0.000 2.353 102 I HA -0.209 3.961 4.170 0.000 0.000 0.248 102 I C 2.007 178.117 176.117 -0.013 0.000 1.119 102 I CA 0.960 62.242 61.300 -0.030 0.000 1.417 102 I CB -0.266 37.724 38.000 -0.016 0.000 1.078 102 I HN 0.157 nan 8.210 nan 0.000 0.421 103 T N 1.419 115.971 114.554 -0.005 0.000 2.788 103 T HA -0.109 4.241 4.350 0.000 0.000 0.268 103 T C 1.957 176.666 174.700 0.016 0.000 1.044 103 T CA 1.219 63.326 62.100 0.012 0.000 1.139 103 T CB -0.180 68.697 68.868 0.014 0.000 0.867 103 T HN 0.253 nan 8.240 nan 0.000 0.454 104 L N 0.120 121.340 121.223 -0.005 0.000 2.109 104 L HA -0.023 4.317 4.340 0.000 0.000 0.207 104 L C 2.604 179.471 176.870 -0.005 0.000 1.086 104 L CA 0.734 55.568 54.840 -0.010 0.000 0.760 104 L CB -0.388 41.641 42.059 -0.051 0.000 0.910 104 L HN 0.260 nan 8.230 nan 0.000 0.437 105 M N -0.560 119.019 119.600 -0.034 0.000 2.175 105 M HA -0.107 4.373 4.480 0.000 0.000 0.264 105 M C 2.518 178.852 176.300 0.056 0.000 1.063 105 M CA 1.684 56.973 55.300 -0.018 0.000 1.119 105 M CB -1.328 31.221 32.600 -0.086 0.000 1.377 105 M HN 0.240 nan 8.290 nan 0.000 0.415 106 A N 0.280 123.125 122.820 0.043 0.000 1.969 106 A HA -0.141 4.179 4.320 0.000 0.000 0.218 106 A C 2.302 179.931 177.584 0.074 0.000 1.169 106 A CA 1.363 53.434 52.037 0.057 0.000 0.635 106 A CB -0.382 18.651 19.000 0.056 0.000 0.810 106 A HN 0.470 nan 8.150 nan 0.000 0.445 107 K N -1.795 118.662 120.400 0.096 0.000 2.076 107 K HA -0.080 4.240 4.320 0.000 0.000 0.204 107 K C 1.986 178.726 176.600 0.233 0.000 1.051 107 K CA 1.353 57.727 56.287 0.146 0.000 0.949 107 K CB -0.389 32.199 32.500 0.147 0.000 0.726 107 K HN 0.547 nan 8.250 nan 0.000 0.443 108 Y N 2.883 123.188 120.300 0.009 0.000 2.097 108 Y HA -0.216 4.334 4.550 0.000 0.000 0.282 108 Y C 1.912 177.785 175.900 -0.044 0.000 1.152 108 Y CA 1.702 59.739 58.100 -0.104 0.000 1.136 108 Y CB -0.355 37.928 38.460 -0.295 0.000 0.975 108 Y HN 0.048 nan 8.280 nan 0.000 0.498 109 I N -1.064 119.449 120.570 -0.096 0.000 3.241 109 I HA -0.157 4.013 4.170 0.000 0.000 0.280 109 I C 1.298 177.329 176.117 -0.142 0.000 1.320 109 I CA 1.189 62.363 61.300 -0.210 0.000 1.413 109 I CB -0.565 37.379 38.000 -0.093 0.000 1.060 109 I HN 0.367 nan 8.210 nan 0.000 0.500 110 Q N 0.007 119.772 119.800 -0.058 0.000 2.360 110 Q HA 0.191 4.531 4.340 0.000 0.000 0.202 110 Q C 0.178 176.089 176.000 -0.149 0.000 0.915 110 Q CA 0.107 55.861 55.803 -0.082 0.000 0.943 110 Q CB 0.273 28.975 28.738 -0.060 0.000 1.064 110 Q HN 0.662 nan 8.270 nan 0.000 0.511 111 H N 0.060 119.041 119.070 -0.148 0.000 2.508 111 H HA 0.213 4.769 4.556 0.000 0.000 0.344 111 H C -0.066 175.170 175.328 -0.154 0.000 1.192 111 H CA -0.342 55.647 56.048 -0.099 0.000 1.290 111 H CB 1.379 31.152 29.762 0.019 0.000 1.571 111 H HN -0.073 nan 8.280 nan 0.000 0.555 112 T N 3.762 118.338 114.554 0.037 0.000 2.928 112 T HA 0.054 4.404 4.350 0.000 0.000 0.305 112 T C -2.165 172.512 174.700 -0.039 0.000 1.035 112 T CA -0.793 61.297 62.100 -0.017 0.000 1.145 112 T CB 0.155 69.026 68.868 0.005 0.000 0.963 112 T HN 0.298 nan 8.240 nan 0.000 0.545 113 P HA 0.222 nan 4.420 nan 0.000 0.265 113 P C -2.332 174.968 177.300 -0.001 0.000 1.222 113 P CA -1.103 61.924 63.100 -0.122 0.000 0.767 113 P CB -0.298 31.326 31.700 -0.128 0.000 0.801 114 P HA 0.022 nan 4.420 nan 0.000 0.265 114 P C -0.304 177.057 177.300 0.102 0.000 1.193 114 P CA 0.206 63.404 63.100 0.163 0.000 0.765 114 P CB 0.377 32.272 31.700 0.325 0.000 0.823 115 Q N 3.457 123.308 119.800 0.084 0.000 2.279 115 Q HA 0.330 4.670 4.340 0.000 0.000 0.256 115 Q C -1.990 174.056 176.000 0.077 0.000 0.937 115 Q CA -1.433 54.418 55.803 0.079 0.000 0.933 115 Q CB 0.450 29.256 28.738 0.114 0.000 1.189 115 Q HN 0.380 nan 8.270 nan 0.000 0.417 116 P HA 0.338 nan 4.420 nan 0.000 0.278 116 P C -2.427 175.063 177.300 0.317 0.000 1.258 116 P CA -1.274 61.865 63.100 0.066 0.000 0.811 116 P CB 0.049 31.614 31.700 -0.224 0.000 1.063 117 P HA 0.112 nan 4.420 nan 0.000 0.272 117 P C -0.294 177.259 177.300 0.420 0.000 1.223 117 P CA 0.006 63.298 63.100 0.320 0.000 0.784 117 P CB 0.885 32.747 31.700 0.269 0.000 0.923 118 E N 0.597 120.963 120.200 0.277 0.000 2.351 118 E HA 0.216 4.566 4.350 0.000 0.000 0.255 118 E C -0.704 176.055 176.600 0.266 0.000 1.188 118 E CA 0.039 56.550 56.400 0.184 0.000 0.940 118 E CB 0.702 30.453 29.700 0.085 0.000 1.094 118 E HN 0.591 nan 8.360 nan 0.000 0.474 119 W N 0.825 122.093 121.300 -0.053 0.000 2.527 119 W HA 0.388 5.048 4.660 0.000 0.000 0.293 119 W C -0.833 175.651 176.519 -0.059 0.000 1.036 119 W CA -0.317 57.008 57.345 -0.033 0.000 1.233 119 W CB 0.796 30.241 29.460 -0.025 0.000 1.116 119 W HN 0.534 nan 8.180 nan 0.000 0.335 120 G N 2.127 110.802 108.800 -0.208 0.000 2.702 120 G HA2 0.320 4.280 3.960 0.000 0.000 0.254 120 G HA3 0.320 4.280 3.960 0.000 0.000 0.254 120 G C 0.393 175.148 174.900 -0.241 0.000 1.380 120 G CA -0.450 44.552 45.100 -0.164 0.000 1.042 120 G HN 0.330 nan 8.290 nan 0.000 0.557 121 M N 0.393 119.901 119.600 -0.153 0.000 2.106 121 M HA -0.002 4.478 4.480 0.000 0.000 0.259 121 M C -0.374 175.830 176.300 -0.160 0.000 1.068 121 M CA 1.790 57.011 55.300 -0.132 0.000 1.100 121 M CB -1.146 31.397 32.600 -0.096 0.000 1.351 121 M HN 0.268 nan 8.290 nan 0.000 0.404 122 P HA -0.119 nan 4.420 nan 0.000 0.216 122 P C 1.001 178.140 177.300 -0.267 0.000 1.153 122 P CA 1.359 64.357 63.100 -0.170 0.000 0.848 122 P CB -0.007 31.604 31.700 -0.149 0.000 0.787 123 E N -1.381 118.519 120.200 -0.499 0.000 2.072 123 E HA -0.084 4.266 4.350 0.000 0.000 0.191 123 E C 2.072 178.269 176.600 -0.672 0.000 0.985 123 E CA 1.161 57.032 56.400 -0.881 0.000 0.801 123 E CB -0.743 27.835 29.700 -1.871 0.000 0.750 123 E HN 0.198 nan 8.360 nan 0.000 0.452 124 M N -0.032 119.289 119.600 -0.465 0.000 2.086 124 M HA -0.155 4.325 4.480 0.000 0.000 0.261 124 M C 2.186 178.542 176.300 0.093 0.000 1.067 124 M CA 1.546 56.846 55.300 0.001 0.000 1.116 124 M CB -0.300 32.321 32.600 0.036 0.000 1.348 124 M HN 0.033 nan 8.290 nan 0.000 0.407 125 R N -0.127 120.397 120.500 0.039 0.000 2.096 125 R HA -0.184 4.156 4.340 0.000 0.000 0.235 125 R C 2.080 178.498 176.300 0.196 0.000 1.127 125 R CA 1.508 57.718 56.100 0.183 0.000 0.968 125 R CB -0.415 29.959 30.300 0.123 0.000 0.861 125 R HN 0.315 nan 8.270 nan 0.000 0.440 126 E N 1.160 121.396 120.200 0.060 0.000 2.077 126 E HA -0.162 4.188 4.350 0.000 0.000 0.193 126 E C 1.794 178.455 176.600 0.100 0.000 0.989 126 E CA 2.101 58.525 56.400 0.040 0.000 0.800 126 E CB -0.089 29.586 29.700 -0.041 0.000 0.746 126 E HN 0.276 nan 8.360 nan 0.000 0.452 127 S N -0.996 114.804 115.700 0.166 0.000 2.489 127 S HA -0.067 4.403 4.470 0.000 0.000 0.228 127 S C 0.568 175.324 174.600 0.259 0.000 0.995 127 S CA 0.055 58.398 58.200 0.238 0.000 0.934 127 S CB -0.589 62.848 63.200 0.395 0.000 0.771 127 S HN 0.426 nan 8.310 nan 0.000 0.522 128 W N 3.442 124.781 121.300 0.065 0.000 2.251 128 W HA 0.483 5.143 4.660 -0.000 0.000 0.327 128 W C -0.483 176.052 176.519 0.028 0.000 1.361 128 W CA -0.896 56.476 57.345 0.044 0.000 1.234 128 W CB 0.132 29.609 29.460 0.028 0.000 1.212 128 W HN 0.030 nan 8.180 nan 0.000 0.557 129 K N 4.903 125.138 120.400 -0.275 0.000 2.513 129 K HA 0.432 4.752 4.320 0.000 0.000 0.251 129 K C -1.590 174.791 176.600 -0.364 0.000 0.939 129 K CA -1.032 55.017 56.287 -0.396 0.000 0.793 129 K CB 2.250 34.672 32.500 -0.129 0.000 1.241 129 K HN 0.121 nan 8.250 nan 0.000 0.431 130 V N 5.144 124.800 119.914 -0.428 0.000 2.311 130 V HA 0.168 4.288 4.120 0.000 0.000 0.275 130 V C 1.089 177.108 176.094 -0.124 0.000 1.022 130 V CA -0.505 61.677 62.300 -0.197 0.000 0.830 130 V CB 0.692 32.400 31.823 -0.192 0.000 1.012 130 V HN 0.761 nan 8.190 nan 0.000 0.452 131 L N 4.135 125.324 121.223 -0.056 0.000 2.156 131 L HA 0.113 4.454 4.340 0.000 0.000 0.208 131 L C 0.307 177.168 176.870 -0.015 0.000 1.095 131 L CA 1.011 55.832 54.840 -0.032 0.000 0.770 131 L CB 0.040 42.097 42.059 -0.004 0.000 0.914 131 L HN 0.475 nan 8.230 nan 0.000 0.439 132 V N 0.270 120.185 119.914 0.000 0.000 2.509 132 V HA 0.187 4.307 4.120 0.000 0.000 0.289 132 V C -0.296 175.810 176.094 0.021 0.000 1.026 132 V CA -1.183 61.127 62.300 0.018 0.000 0.872 132 V CB 1.417 33.266 31.823 0.044 0.000 1.017 132 V HN 0.112 nan 8.190 nan 0.000 0.436 133 K N 4.554 124.961 120.400 0.011 0.000 2.518 133 K HA 0.078 4.398 4.320 0.000 0.000 0.276 133 K C -1.617 175.005 176.600 0.036 0.000 0.974 133 K CA -0.961 55.336 56.287 0.017 0.000 0.986 133 K CB 0.673 33.179 32.500 0.010 0.000 0.901 133 K HN 0.292 nan 8.250 nan 0.000 0.497 134 P HA -0.215 nan 4.420 nan 0.000 0.217 134 P C 0.266 177.600 177.300 0.056 0.000 1.148 134 P CA 1.422 64.551 63.100 0.047 0.000 0.834 134 P CB 0.257 31.975 31.700 0.029 0.000 0.783 135 E N -0.828 119.398 120.200 0.044 0.000 2.107 135 E HA -0.119 4.231 4.350 0.000 0.000 0.191 135 E C 1.400 178.028 176.600 0.048 0.000 0.982 135 E CA 1.007 57.432 56.400 0.043 0.000 0.809 135 E CB -0.901 28.817 29.700 0.031 0.000 0.756 135 E HN 0.300 nan 8.360 nan 0.000 0.459 136 D N 0.649 121.075 120.400 0.045 0.000 2.363 136 D HA -0.002 4.638 4.640 0.000 0.000 0.226 136 D C 0.158 176.495 176.300 0.062 0.000 1.020 136 D CA 0.338 54.365 54.000 0.045 0.000 0.892 136 D CB 0.078 40.898 40.800 0.034 0.000 0.900 136 D HN 0.117 nan 8.370 nan 0.000 0.531 137 R N 0.955 121.504 120.500 0.081 0.000 2.528 137 R HA 0.379 4.719 4.340 0.000 0.000 0.271 137 R C -2.233 174.141 176.300 0.123 0.000 1.056 137 R CA -1.514 54.651 56.100 0.108 0.000 1.117 137 R CB 0.093 30.474 30.300 0.136 0.000 1.085 137 R HN -0.127 nan 8.270 nan 0.000 0.530 138 P HA -0.014 nan 4.420 nan 0.000 0.269 138 P C -0.037 177.402 177.300 0.231 0.000 1.217 138 P CA -0.015 63.185 63.100 0.167 0.000 0.783 138 P CB 0.625 32.441 31.700 0.194 0.000 0.898 139 K N 0.941 121.447 120.400 0.176 0.000 2.361 139 K HA 0.092 4.412 4.320 0.000 0.000 0.194 139 K C 0.589 177.306 176.600 0.195 0.000 1.032 139 K CA 0.741 57.148 56.287 0.199 0.000 1.048 139 K CB 0.194 32.756 32.500 0.103 0.000 0.842 139 K HN 0.580 nan 8.250 nan 0.000 0.526 140 K N -0.717 119.686 120.400 0.005 0.000 2.548 140 K HA 0.219 4.539 4.320 0.000 0.000 0.282 140 K C -0.929 175.279 176.600 -0.652 0.000 1.006 140 K CA -0.881 55.086 56.287 -0.532 0.000 0.892 140 K CB 1.135 33.425 32.500 -0.350 0.000 1.499 140 K HN -0.227 nan 8.250 nan 0.000 0.433 141 Q N 1.472 120.590 119.800 -1.137 0.000 2.255 141 Q HA 0.074 4.414 4.340 0.000 0.000 0.280 141 Q C -0.134 175.685 176.000 -0.303 0.000 1.068 141 Q CA -0.045 55.302 55.803 -0.760 0.000 0.911 141 Q CB 0.414 28.691 28.738 -0.769 0.000 1.157 141 Q HN 0.672 nan 8.270 nan 0.000 0.380 142 L N 3.280 124.426 121.223 -0.127 0.000 2.607 142 L HA 0.133 4.473 4.340 0.000 0.000 0.228 142 L C 0.059 176.905 176.870 -0.040 0.000 1.123 142 L CA -0.149 54.654 54.840 -0.062 0.000 0.890 142 L CB -0.440 41.615 42.059 -0.006 0.000 1.103 142 L HN 0.627 nan 8.230 nan 0.000 0.468 143 N N -1.836 116.839 118.700 -0.042 0.000 2.619 143 N HA 0.226 4.967 4.740 0.000 0.000 0.294 143 N C -0.323 175.166 175.510 -0.036 0.000 1.279 143 N CA -0.747 52.292 53.050 -0.018 0.000 0.867 143 N CB 0.574 39.068 38.487 0.013 0.000 1.329 143 N HN -0.057 nan 8.380 nan 0.000 0.557 144 D N -0.653 119.736 120.400 -0.018 0.000 2.593 144 D HA 0.161 4.801 4.640 0.000 0.000 0.241 144 D C -0.383 175.915 176.300 -0.004 0.000 1.257 144 D CA -0.317 53.670 54.000 -0.022 0.000 0.828 144 D CB -0.421 40.367 40.800 -0.021 0.000 1.049 144 D HN 0.385 nan 8.370 nan 0.000 0.490 145 L N 0.412 121.641 121.223 0.009 0.000 2.452 145 L HA 0.140 4.480 4.340 0.000 0.000 0.267 145 L C 0.622 177.508 176.870 0.027 0.000 1.188 145 L CA -0.206 54.651 54.840 0.028 0.000 0.821 145 L CB 0.618 42.704 42.059 0.044 0.000 1.102 145 L HN -0.070 nan 8.230 nan 0.000 0.470 146 D N 2.335 122.756 120.400 0.035 0.000 2.517 146 D HA 0.146 4.786 4.640 0.000 0.000 0.220 146 D C 1.098 177.426 176.300 0.046 0.000 1.158 146 D CA -0.022 53.997 54.000 0.032 0.000 0.992 146 D CB 0.440 41.259 40.800 0.032 0.000 1.058 146 D HN 0.372 nan 8.370 nan 0.000 0.516 147 L N 3.258 124.517 121.223 0.060 0.000 2.013 147 L HA -0.127 4.213 4.340 0.000 0.000 0.212 147 L C -0.495 176.418 176.870 0.072 0.000 1.073 147 L CA 1.223 56.111 54.840 0.079 0.000 0.753 147 L CB -1.408 40.725 42.059 0.125 0.000 0.890 147 L HN 0.326 nan 8.230 nan 0.000 0.432 148 P HA -0.157 nan 4.420 nan 0.000 0.218 148 P C 0.864 178.182 177.300 0.031 0.000 1.148 148 P CA 1.338 64.501 63.100 0.106 0.000 0.822 148 P CB -0.029 31.711 31.700 0.068 0.000 0.784 149 N N -1.355 117.341 118.700 -0.005 0.000 2.276 149 N HA 0.056 4.796 4.740 0.000 0.000 0.212 149 N C -0.177 175.303 175.510 -0.050 0.000 1.127 149 N CA -0.110 52.915 53.050 -0.041 0.000 0.834 149 N CB -0.531 37.974 38.487 0.030 0.000 1.014 149 N HN -0.078 nan 8.380 nan 0.000 0.491 150 L N 0.416 121.603 121.223 -0.060 0.000 2.418 150 L HA 0.405 4.745 4.340 0.000 0.000 0.265 150 L C -0.784 175.998 176.870 -0.146 0.000 1.143 150 L CA 0.067 54.907 54.840 -0.001 0.000 0.809 150 L CB 0.315 42.392 42.059 0.030 0.000 1.124 150 L HN -0.007 nan 8.230 nan 0.000 0.456 151 F N 1.715 121.581 119.950 -0.140 0.000 2.460 151 F HA 0.304 4.832 4.527 0.000 0.000 0.341 151 F C 0.334 176.089 175.800 -0.075 0.000 1.130 151 F CA -0.471 57.414 58.000 -0.191 0.000 0.962 151 F CB 1.752 40.491 39.000 -0.435 0.000 1.171 151 F HN 0.363 nan 8.300 nan 0.000 0.436 152 S N 4.064 119.844 115.700 0.133 0.000 2.416 152 S HA 0.599 5.069 4.470 0.000 0.000 0.287 152 S C -0.669 174.029 174.600 0.162 0.000 1.139 152 S CA -0.443 57.843 58.200 0.143 0.000 1.058 152 S CB -0.067 63.221 63.200 0.146 0.000 0.967 152 S HN 0.357 nan 8.310 nan 0.000 0.495 153 V N 5.129 125.103 119.914 0.101 0.000 2.581 153 V HA 0.429 4.549 4.120 0.000 0.000 0.303 153 V C 0.439 176.550 176.094 0.028 0.000 1.041 153 V CA -0.840 61.487 62.300 0.045 0.000 0.907 153 V CB 1.993 33.831 31.823 0.025 0.000 0.994 153 V HN 0.831 nan 8.190 nan 0.000 0.442 154 T N 5.950 120.495 114.554 -0.015 0.000 2.749 154 T HA 0.441 4.791 4.350 0.000 0.000 0.295 154 T C 0.167 174.816 174.700 -0.084 0.000 0.936 154 T CA -0.131 61.940 62.100 -0.047 0.000 1.060 154 T CB 0.196 69.011 68.868 -0.088 0.000 0.904 154 T HN 0.420 nan 8.240 nan 0.000 0.500 155 L N 4.497 125.686 121.223 -0.058 0.000 2.556 155 L HA 0.372 4.712 4.340 0.000 0.000 0.245 155 L C 1.917 178.738 176.870 -0.082 0.000 1.174 155 L CA -0.614 54.198 54.840 -0.048 0.000 1.117 155 L CB -0.242 41.813 42.059 -0.007 0.000 1.409 155 L HN 0.662 nan 8.230 nan 0.000 0.411 156 R N 1.247 121.661 120.500 -0.143 0.000 2.358 156 R HA -0.253 4.087 4.340 0.000 0.000 0.215 156 R C 1.159 177.305 176.300 -0.257 0.000 1.059 156 R CA 2.761 58.731 56.100 -0.218 0.000 0.817 156 R CB 0.019 30.190 30.300 -0.215 0.000 0.823 156 R HN 0.515 nan 8.270 nan 0.000 0.424 157 D N -0.397 119.940 120.400 -0.106 0.000 2.315 157 D HA -0.129 4.511 4.640 0.000 0.000 0.211 157 D C 1.400 177.767 176.300 0.111 0.000 0.977 157 D CA 1.341 55.351 54.000 0.017 0.000 0.894 157 D CB -0.156 40.749 40.800 0.174 0.000 0.910 157 D HN 0.496 nan 8.370 nan 0.000 0.490 158 A N -0.072 122.772 122.820 0.040 0.000 2.119 158 A HA 0.364 4.684 4.320 0.000 0.000 0.216 158 A C 1.801 179.433 177.584 0.079 0.000 1.152 158 A CA 0.933 53.015 52.037 0.075 0.000 0.708 158 A CB -0.374 18.655 19.000 0.048 0.000 0.805 158 A HN 0.251 nan 8.150 nan 0.000 0.460 159 G N -0.766 108.038 108.800 0.007 0.000 2.298 159 G HA2 -0.200 3.760 3.960 0.000 0.000 0.287 159 G HA3 -0.200 3.760 3.960 0.000 0.000 0.287 159 G C -0.176 174.744 174.900 0.033 0.000 1.075 159 G CA 0.627 45.748 45.100 0.035 0.000 0.960 159 G HN 0.719 nan 8.290 nan 0.000 0.502 160 Q N -1.676 118.127 119.800 0.004 0.000 2.693 160 Q HA 0.783 5.123 4.340 0.000 0.000 0.306 160 Q C -0.365 175.638 176.000 0.005 0.000 0.969 160 Q CA -0.866 54.947 55.803 0.017 0.000 0.757 160 Q CB 1.890 30.645 28.738 0.029 0.000 1.494 160 Q HN 0.901 nan 8.270 nan 0.000 0.459 161 I N -2.664 117.918 120.570 0.020 0.000 2.894 161 I HA 0.928 5.098 4.170 0.000 0.000 0.302 161 I C -1.592 174.547 176.117 0.037 0.000 1.188 161 I CA -0.812 60.504 61.300 0.025 0.000 1.014 161 I CB 2.275 40.296 38.000 0.035 0.000 1.242 161 I HN 0.573 nan 8.210 nan 0.000 0.430 162 A N 5.530 128.376 122.820 0.043 0.000 2.355 162 A HA 0.857 5.177 4.320 0.000 0.000 0.317 162 A C -0.930 176.695 177.584 0.067 0.000 1.094 162 A CA -0.675 51.394 52.037 0.052 0.000 0.764 162 A CB 1.074 20.103 19.000 0.049 0.000 1.230 162 A HN 0.800 nan 8.150 nan 0.000 0.448 163 L N 2.749 124.014 121.223 0.070 0.000 2.265 163 L HA 0.464 4.804 4.340 0.000 0.000 0.288 163 L C -0.731 176.194 176.870 0.093 0.000 1.058 163 L CA -0.669 54.221 54.840 0.083 0.000 0.809 163 L CB 1.333 43.437 42.059 0.074 0.000 1.179 163 L HN 0.422 nan 8.230 nan 0.000 0.429 164 V N 2.240 122.224 119.914 0.116 0.000 2.417 164 V HA 0.150 4.270 4.120 0.000 0.000 0.291 164 V C -0.234 175.954 176.094 0.157 0.000 1.024 164 V CA -0.709 61.667 62.300 0.126 0.000 0.861 164 V CB 2.021 33.914 31.823 0.118 0.000 0.985 164 V HN 0.677 nan 8.190 nan 0.000 0.436 165 D N 3.615 124.106 120.400 0.152 0.000 2.371 165 D HA 0.340 4.980 4.640 0.000 0.000 0.256 165 D C 1.320 177.759 176.300 0.232 0.000 1.193 165 D CA 0.800 54.897 54.000 0.161 0.000 0.881 165 D CB 1.637 42.508 40.800 0.119 0.000 1.143 165 D HN 0.605 nan 8.370 nan 0.000 0.473 166 G N 3.443 112.404 108.800 0.268 0.000 2.545 166 G HA2 -0.328 3.632 3.960 0.000 0.000 0.217 166 G HA3 -0.328 3.632 3.960 0.000 0.000 0.217 166 G C 1.174 176.288 174.900 0.357 0.000 1.218 166 G CA 0.744 46.067 45.100 0.372 0.000 0.787 166 G HN 0.562 nan 8.290 nan 0.000 0.571 167 D N 0.276 120.809 120.400 0.221 0.000 2.117 167 D HA -0.092 4.548 4.640 0.000 0.000 0.198 167 D C 2.977 179.346 176.300 0.115 0.000 0.982 167 D CA 1.620 55.712 54.000 0.154 0.000 0.828 167 D CB -0.355 40.506 40.800 0.101 0.000 0.967 167 D HN 0.456 nan 8.370 nan 0.000 0.464 168 S N -0.332 115.434 115.700 0.109 0.000 2.496 168 S HA -0.029 4.441 4.470 0.000 0.000 0.224 168 S C 0.940 175.581 174.600 0.070 0.000 0.996 168 S CA 0.292 58.535 58.200 0.073 0.000 0.927 168 S CB 0.164 63.402 63.200 0.063 0.000 0.774 168 S HN -0.039 nan 8.310 nan 0.000 0.524 169 K N 0.257 120.734 120.400 0.127 0.000 3.160 169 K HA -0.121 4.199 4.320 0.000 0.000 0.280 169 K C -0.682 175.966 176.600 0.080 0.000 1.154 169 K CA 0.976 57.330 56.287 0.110 0.000 0.822 169 K CB -1.853 30.622 32.500 -0.042 0.000 1.239 169 K HN 0.617 nan 8.250 nan 0.000 0.489 170 K N -0.014 120.441 120.400 0.092 0.000 2.203 170 K HA 0.484 4.804 4.320 0.000 0.000 0.251 170 K C 0.085 176.733 176.600 0.080 0.000 0.944 170 K CA -0.925 55.403 56.287 0.067 0.000 0.829 170 K CB 1.517 34.047 32.500 0.049 0.000 1.125 170 K HN -0.008 nan 8.250 nan 0.000 0.430 171 I N 2.818 123.428 120.570 0.065 0.000 2.452 171 I HA -0.065 4.105 4.170 0.000 0.000 0.287 171 I C 1.161 177.314 176.117 0.059 0.000 1.079 171 I CA -0.063 61.276 61.300 0.066 0.000 1.387 171 I CB 0.951 38.983 38.000 0.054 0.000 1.404 171 I HN 0.478 nan 8.210 nan 0.000 0.522 172 V N 5.526 125.479 119.914 0.065 0.000 2.500 172 V HA 0.016 4.136 4.120 0.000 0.000 0.243 172 V C 0.520 176.645 176.094 0.051 0.000 1.039 172 V CA 1.264 63.598 62.300 0.058 0.000 1.053 172 V CB -0.141 31.720 31.823 0.064 0.000 0.695 172 V HN 0.734 nan 8.190 nan 0.000 0.463 173 K N -0.830 119.602 120.400 0.054 0.000 2.546 173 K HA 0.562 4.882 4.320 0.000 0.000 0.264 173 K C -1.785 174.844 176.600 0.049 0.000 0.937 173 K CA -0.328 55.988 56.287 0.049 0.000 0.833 173 K CB 2.345 34.876 32.500 0.051 0.000 1.378 173 K HN -0.145 nan 8.250 nan 0.000 0.432 174 V N 5.146 125.086 119.914 0.044 0.000 2.448 174 V HA 0.579 4.699 4.120 0.000 0.000 0.295 174 V C -0.395 175.724 176.094 0.042 0.000 1.025 174 V CA -0.663 61.663 62.300 0.043 0.000 0.859 174 V CB 1.322 33.169 31.823 0.040 0.000 0.988 174 V HN 0.658 nan 8.190 nan 0.000 0.431 175 I N 3.123 123.718 120.570 0.042 0.000 2.569 175 I HA 0.441 4.611 4.170 0.000 0.000 0.296 175 I C -0.619 175.522 176.117 0.040 0.000 1.028 175 I CA -0.758 60.567 61.300 0.041 0.000 1.082 175 I CB 2.232 40.258 38.000 0.044 0.000 1.264 175 I HN 0.480 nan 8.210 nan 0.000 0.429 176 D N 4.323 124.748 120.400 0.041 0.000 2.308 176 D HA 0.352 4.992 4.640 0.000 0.000 0.251 176 D C 0.248 176.574 176.300 0.044 0.000 1.127 176 D CA 0.364 54.391 54.000 0.044 0.000 0.876 176 D CB 1.760 42.588 40.800 0.046 0.000 1.176 176 D HN 0.699 nan 8.370 nan 0.000 0.446 177 T N -1.563 113.018 114.554 0.045 0.000 2.565 177 T HA 0.632 4.982 4.350 0.000 0.000 0.266 177 T C 0.502 175.235 174.700 0.056 0.000 0.905 177 T CA -0.932 61.193 62.100 0.042 0.000 1.122 177 T CB 0.740 69.625 68.868 0.028 0.000 1.437 177 T HN 0.223 nan 8.240 nan 0.000 0.506 178 G N -0.717 108.114 108.800 0.051 0.000 2.562 178 G HA2 0.460 4.420 3.960 0.000 0.000 0.275 178 G HA3 0.460 4.420 3.960 0.000 0.000 0.275 178 G C -1.138 173.824 174.900 0.103 0.000 1.196 178 G CA -0.669 44.477 45.100 0.077 0.000 0.908 178 G HN 0.695 nan 8.290 nan 0.000 0.524 179 Y N 1.011 121.324 120.300 0.022 0.000 2.511 179 Y HA 0.295 4.845 4.550 -0.000 0.000 0.332 179 Y C 0.920 176.844 175.900 0.041 0.000 1.177 179 Y CA 0.457 58.577 58.100 0.033 0.000 1.422 179 Y CB 0.440 38.921 38.460 0.035 0.000 1.271 179 Y HN 1.286 nan 8.280 nan 0.000 0.550 180 A N 3.991 126.397 122.820 -0.690 0.000 2.362 180 A HA -0.172 4.148 4.320 0.000 0.000 0.290 180 A C 0.008 177.496 177.584 -0.159 0.000 1.441 180 A CA 0.569 52.314 52.037 -0.486 0.000 0.743 180 A CB -2.538 16.151 19.000 -0.519 0.000 1.125 180 A HN 0.682 nan 8.150 nan 0.000 0.378 181 V N 1.566 121.414 119.914 -0.111 0.000 2.681 181 V HA -0.054 4.066 4.120 0.000 0.000 0.306 181 V C 1.695 177.776 176.094 -0.021 0.000 1.077 181 V CA 1.594 63.874 62.300 -0.032 0.000 1.224 181 V CB 0.597 32.407 31.823 -0.023 0.000 0.879 181 V HN 0.844 nan 8.190 nan 0.000 0.494 182 H N 4.265 123.311 119.070 -0.041 0.000 2.388 182 H HA 0.383 4.939 4.556 0.000 0.000 0.304 182 H C 0.559 175.918 175.328 0.053 0.000 1.049 182 H CA 1.234 57.278 56.048 -0.007 0.000 1.371 182 H CB 0.500 30.242 29.762 -0.032 0.000 1.436 182 H HN 0.685 nan 8.280 nan 0.000 0.544 183 I N -2.684 117.934 120.570 0.079 0.000 2.994 183 I HA 0.565 4.735 4.170 0.000 0.000 0.306 183 I C -1.084 174.813 176.117 -0.366 0.000 1.195 183 I CA -1.017 60.202 61.300 -0.135 0.000 1.001 183 I CB 2.816 40.713 38.000 -0.172 0.000 1.244 183 I HN -0.219 nan 8.210 nan 0.000 0.437 184 S N 2.595 117.726 115.700 -0.948 0.000 2.502 184 S HA 0.701 5.171 4.470 0.000 0.000 0.304 184 S C -0.670 173.531 174.600 -0.665 0.000 1.097 184 S CA -0.776 57.063 58.200 -0.602 0.000 1.045 184 S CB 1.344 64.369 63.200 -0.292 0.000 1.019 184 S HN 0.456 nan 8.310 nan 0.000 0.481 185 R N 1.711 122.015 120.500 -0.327 0.000 2.854 185 R HA 0.576 4.916 4.340 0.000 0.000 0.271 185 R C -0.955 175.275 176.300 -0.117 0.000 0.994 185 R CA -0.827 55.138 56.100 -0.225 0.000 0.945 185 R CB 1.232 31.424 30.300 -0.180 0.000 1.194 185 R HN 0.488 nan 8.270 nan 0.000 0.476 186 M N 0.625 120.178 119.600 -0.077 0.000 2.508 186 M HA 0.309 4.789 4.480 0.000 0.000 0.327 186 M C 0.469 176.751 176.300 -0.030 0.000 1.160 186 M CA -0.732 54.543 55.300 -0.042 0.000 0.980 186 M CB 1.876 34.452 32.600 -0.040 0.000 1.693 186 M HN 0.703 nan 8.290 nan 0.000 0.452 187 S N 1.178 116.876 115.700 -0.003 0.000 2.593 187 S HA 0.436 4.906 4.470 0.000 0.000 0.269 187 S C 1.116 175.704 174.600 -0.020 0.000 1.334 187 S CA -0.029 58.178 58.200 0.012 0.000 1.015 187 S CB 0.804 64.053 63.200 0.082 0.000 0.912 187 S HN 0.743 nan 8.310 nan 0.000 0.541 188 A N 1.584 124.396 122.820 -0.012 0.000 2.070 188 A HA -0.002 4.318 4.320 0.000 0.000 0.220 188 A C 2.275 179.840 177.584 -0.031 0.000 1.159 188 A CA 1.508 53.527 52.037 -0.029 0.000 0.656 188 A CB -1.310 17.694 19.000 0.005 0.000 0.800 188 A HN 1.301 nan 8.150 nan 0.000 0.453 189 S N -1.963 113.722 115.700 -0.025 0.000 2.562 189 S HA 0.341 4.811 4.470 0.000 0.000 0.221 189 S C 1.503 176.081 174.600 -0.036 0.000 0.975 189 S CA 0.998 59.178 58.200 -0.032 0.000 0.918 189 S CB -0.410 62.739 63.200 -0.086 0.000 0.772 189 S HN 1.843 nan 8.310 nan 0.000 0.531 190 G N 1.937 110.709 108.800 -0.047 0.000 2.155 190 G HA2 -0.364 3.596 3.960 0.000 0.000 0.257 190 G HA3 -0.364 3.596 3.960 0.000 0.000 0.257 190 G C 0.777 175.624 174.900 -0.089 0.000 0.983 190 G CA 0.584 45.674 45.100 -0.017 0.000 0.676 190 G HN 0.619 nan 8.290 nan 0.000 0.528 191 R N -1.149 119.171 120.500 -0.301 0.000 2.146 191 R HA 0.274 4.614 4.340 0.000 0.000 0.206 191 R C 0.121 176.027 176.300 -0.657 0.000 1.049 191 R CA 0.356 56.023 56.100 -0.721 0.000 1.029 191 R CB 0.205 29.638 30.300 -1.445 0.000 0.949 191 R HN 0.358 nan 8.270 nan 0.000 0.471 192 Y N 0.793 120.968 120.300 -0.208 0.000 2.341 192 Y HA 0.334 4.884 4.550 0.000 0.000 0.337 192 Y C -0.497 175.350 175.900 -0.089 0.000 1.014 192 Y CA -1.169 56.848 58.100 -0.138 0.000 1.111 192 Y CB 1.683 40.063 38.460 -0.134 0.000 1.194 192 Y HN -0.023 nan 8.280 nan 0.000 0.462 193 L N 4.967 126.245 121.223 0.093 0.000 2.282 193 L HA 0.594 4.934 4.340 0.000 0.000 0.288 193 L C -1.470 175.416 176.870 0.027 0.000 1.033 193 L CA -0.286 54.575 54.840 0.035 0.000 0.807 193 L CB 0.499 42.574 42.059 0.027 0.000 1.209 193 L HN 0.587 nan 8.230 nan 0.000 0.423 194 L N 6.328 127.539 121.223 -0.019 0.000 2.307 194 L HA 0.708 5.048 4.340 0.000 0.000 0.284 194 L C -0.615 176.214 176.870 -0.069 0.000 1.023 194 L CA -0.858 53.958 54.840 -0.040 0.000 0.810 194 L CB 1.873 43.896 42.059 -0.060 0.000 1.231 194 L HN 0.565 nan 8.230 nan 0.000 0.423 195 V N 2.083 121.969 119.914 -0.047 0.000 2.735 195 V HA 0.679 4.799 4.120 0.000 0.000 0.310 195 V C -0.803 175.267 176.094 -0.041 0.000 1.061 195 V CA -0.675 61.594 62.300 -0.052 0.000 0.913 195 V CB 2.202 34.013 31.823 -0.021 0.000 1.005 195 V HN 0.694 nan 8.190 nan 0.000 0.428 196 I N 2.950 123.493 120.570 -0.045 0.000 2.533 196 I HA 0.825 4.995 4.170 0.000 0.000 0.290 196 I C 0.486 176.595 176.117 -0.013 0.000 1.056 196 I CA -0.343 60.936 61.300 -0.035 0.000 1.057 196 I CB 1.724 39.688 38.000 -0.060 0.000 1.240 196 I HN 1.015 nan 8.210 nan 0.000 0.423 197 G N 5.175 113.972 108.800 -0.005 0.000 2.477 197 G HA2 0.272 4.232 3.960 0.000 0.000 0.304 197 G HA3 0.272 4.232 3.960 0.000 0.000 0.304 197 G C 0.686 175.591 174.900 0.009 0.000 1.175 197 G CA -0.713 44.396 45.100 0.016 0.000 0.907 197 G HN 0.866 nan 8.290 nan 0.000 0.509 198 R N -0.691 119.837 120.500 0.046 0.000 2.241 198 R HA -0.071 4.269 4.340 0.000 0.000 0.224 198 R C 0.779 177.087 176.300 0.014 0.000 1.101 198 R CA 1.655 57.767 56.100 0.020 0.000 0.995 198 R CB -0.176 30.182 30.300 0.096 0.000 0.870 198 R HN 0.462 nan 8.270 nan 0.000 0.463 199 D N 0.505 120.930 120.400 0.042 0.000 2.324 199 D HA 0.119 4.759 4.640 0.000 0.000 0.235 199 D C 0.714 176.965 176.300 -0.081 0.000 1.095 199 D CA 0.442 54.442 54.000 0.000 0.000 0.871 199 D CB 0.472 41.293 40.800 0.036 0.000 0.906 199 D HN 0.343 nan 8.370 nan 0.000 0.522 200 A N 0.033 122.806 122.820 -0.079 0.000 2.899 200 A HA -0.305 4.015 4.320 0.000 0.000 0.257 200 A C 0.704 178.233 177.584 -0.093 0.000 1.335 200 A CA 0.908 52.877 52.037 -0.114 0.000 0.924 200 A CB -2.470 16.415 19.000 -0.192 0.000 1.105 200 A HN 0.505 nan 8.150 nan 0.000 0.765 201 R N 0.283 120.755 120.500 -0.047 0.000 2.202 201 R HA 0.622 4.962 4.340 0.000 0.000 0.334 201 R C -0.250 176.052 176.300 0.003 0.000 1.036 201 R CA -0.486 55.609 56.100 -0.008 0.000 0.878 201 R CB 0.172 30.482 30.300 0.018 0.000 1.067 201 R HN 0.508 nan 8.270 nan 0.000 0.457 202 I N 3.425 124.003 120.570 0.012 0.000 2.488 202 I HA 0.249 4.419 4.170 0.000 0.000 0.299 202 I C -0.159 175.974 176.117 0.027 0.000 0.984 202 I CA -0.442 60.861 61.300 0.006 0.000 1.250 202 I CB 1.669 39.665 38.000 -0.006 0.000 1.389 202 I HN 0.511 nan 8.210 nan 0.000 0.488 203 D N 6.565 126.974 120.400 0.016 0.000 2.863 203 D HA 0.325 4.965 4.640 0.000 0.000 0.245 203 D C -0.964 175.347 176.300 0.018 0.000 1.211 203 D CA -0.394 53.623 54.000 0.027 0.000 0.888 203 D CB 2.774 43.593 40.800 0.031 0.000 1.483 203 D HN 0.384 nan 8.370 nan 0.000 0.533 204 M N 3.400 123.013 119.600 0.022 0.000 2.180 204 M HA 0.437 4.917 4.480 0.000 0.000 0.350 204 M C -1.298 175.042 176.300 0.066 0.000 1.125 204 M CA -0.396 54.912 55.300 0.014 0.000 1.031 204 M CB 0.853 33.421 32.600 -0.054 0.000 1.623 204 M HN 0.306 nan 8.290 nan 0.000 0.451 205 I N 3.651 124.285 120.570 0.107 0.000 2.404 205 I HA 0.270 4.440 4.170 0.000 0.000 0.293 205 I C -0.671 175.557 176.117 0.186 0.000 0.992 205 I CA -0.760 60.613 61.300 0.122 0.000 1.149 205 I CB 1.783 39.830 38.000 0.079 0.000 1.315 205 I HN 0.552 nan 8.210 nan 0.000 0.446 206 D N 6.268 126.765 120.400 0.161 0.000 2.313 206 D HA 0.261 4.901 4.640 0.000 0.000 0.239 206 D C 0.662 176.973 176.300 0.017 0.000 1.142 206 D CA -0.104 53.933 54.000 0.062 0.000 0.847 206 D CB 1.309 42.182 40.800 0.121 0.000 1.082 206 D HN 0.427 nan 8.370 nan 0.000 0.480 207 L N 2.823 124.014 121.223 -0.054 0.000 2.478 207 L HA 0.025 4.365 4.340 0.000 0.000 0.223 207 L C 1.210 178.224 176.870 0.240 0.000 1.140 207 L CA 0.116 55.001 54.840 0.074 0.000 0.842 207 L CB 0.024 42.123 42.059 0.068 0.000 0.953 207 L HN 0.493 nan 8.230 nan 0.000 0.452 208 W N 0.652 121.893 121.300 -0.099 0.000 2.770 208 W HA 0.236 4.896 4.660 0.000 0.000 0.256 208 W C 1.475 177.973 176.519 -0.034 0.000 1.291 208 W CA -0.834 56.468 57.345 -0.073 0.000 1.396 208 W CB -0.675 28.723 29.460 -0.104 0.000 1.114 208 W HN -0.061 nan 8.180 nan 0.000 0.637 209 A N 0.968 123.903 122.820 0.191 0.000 2.507 209 A HA -0.001 4.319 4.320 0.000 0.000 0.235 209 A C 1.607 179.242 177.584 0.086 0.000 1.070 209 A CA 0.193 52.303 52.037 0.121 0.000 0.768 209 A CB 0.363 19.422 19.000 0.098 0.000 1.011 209 A HN 0.273 nan 8.150 nan 0.000 0.502 210 K N -0.086 120.350 120.400 0.060 0.000 2.107 210 K HA -0.183 4.137 4.320 0.000 0.000 0.211 210 K C 0.588 177.214 176.600 0.043 0.000 1.049 210 K CA 2.019 58.331 56.287 0.040 0.000 0.927 210 K CB 0.045 32.564 32.500 0.031 0.000 0.714 210 K HN 0.786 nan 8.250 nan 0.000 0.452 211 E N 0.584 120.814 120.200 0.050 0.000 2.216 211 E HA 0.188 4.538 4.350 0.000 0.000 0.260 211 E C -2.674 173.963 176.600 0.061 0.000 0.880 211 E CA -2.810 53.620 56.400 0.051 0.000 0.765 211 E CB 1.628 31.354 29.700 0.043 0.000 1.174 211 E HN -0.143 nan 8.360 nan 0.000 0.417 212 P HA -0.084 nan 4.420 nan 0.000 0.256 212 P C -0.671 176.669 177.300 0.066 0.000 1.173 212 P CA 0.485 63.628 63.100 0.071 0.000 0.768 212 P CB 0.110 31.851 31.700 0.069 0.000 0.758 213 T N 0.517 115.114 114.554 0.072 0.000 2.916 213 T HA 0.457 4.807 4.350 0.000 0.000 0.292 213 T C -0.196 174.550 174.700 0.075 0.000 1.055 213 T CA -1.238 60.902 62.100 0.067 0.000 1.009 213 T CB 1.655 70.560 68.868 0.060 0.000 1.118 213 T HN 0.074 nan 8.240 nan 0.000 0.497 214 K N 1.109 121.547 120.400 0.063 0.000 2.368 214 K HA 0.359 4.680 4.320 0.000 0.000 0.282 214 K C 1.042 177.678 176.600 0.061 0.000 1.035 214 K CA -0.279 56.045 56.287 0.062 0.000 0.973 214 K CB 1.090 33.619 32.500 0.049 0.000 0.957 214 K HN 0.566 nan 8.250 nan 0.000 0.474 215 V N -1.091 118.862 119.914 0.065 0.000 3.604 215 V HA 0.459 4.579 4.120 0.000 0.000 0.277 215 V C 0.162 176.274 176.094 0.030 0.000 1.399 215 V CA 0.154 62.486 62.300 0.053 0.000 1.034 215 V CB 0.311 32.183 31.823 0.082 0.000 0.824 215 V HN 0.662 nan 8.190 nan 0.000 0.439 216 A N 0.867 123.709 122.820 0.036 0.000 2.608 216 A HA 0.817 5.137 4.320 0.000 0.000 0.292 216 A C -1.031 176.601 177.584 0.081 0.000 1.066 216 A CA -0.016 52.060 52.037 0.064 0.000 0.676 216 A CB 1.633 20.688 19.000 0.092 0.000 1.277 216 A HN 0.756 nan 8.150 nan 0.000 0.413 217 E N 0.465 120.743 120.200 0.130 0.000 2.390 217 E HA 0.817 5.167 4.350 0.000 0.000 0.280 217 E C -1.616 175.118 176.600 0.223 0.000 0.992 217 E CA -0.664 55.815 56.400 0.132 0.000 0.790 217 E CB 1.841 31.592 29.700 0.085 0.000 1.248 217 E HN 1.052 nan 8.360 nan 0.000 0.447 218 I N 0.392 121.070 120.570 0.181 0.000 3.021 218 I HA 0.398 4.568 4.170 0.000 0.000 0.305 218 I C -2.074 174.136 176.117 0.155 0.000 1.434 218 I CA -0.789 60.644 61.300 0.220 0.000 0.969 218 I CB 2.287 40.412 38.000 0.209 0.000 1.328 218 I HN 0.666 nan 8.210 nan 0.000 0.486 219 K N 5.090 125.618 120.400 0.213 0.000 2.450 219 K HA 0.435 4.755 4.320 0.000 0.000 0.257 219 K C -0.063 176.623 176.600 0.143 0.000 0.953 219 K CA -0.536 55.812 56.287 0.103 0.000 0.844 219 K CB 1.143 33.699 32.500 0.094 0.000 1.103 219 K HN 0.571 nan 8.250 nan 0.000 0.429 220 I N 0.392 120.945 120.570 -0.028 0.000 3.875 220 I HA 0.421 4.591 4.170 0.000 0.000 0.329 220 I C 0.419 176.415 176.117 -0.201 0.000 1.295 220 I CA -0.151 61.158 61.300 0.015 0.000 1.129 220 I CB 0.718 38.729 38.000 0.018 0.000 1.008 220 I HN 0.622 nan 8.210 nan 0.000 0.413 221 G N 0.051 108.416 108.800 -0.725 0.000 2.325 221 G HA2 0.257 4.217 3.960 0.000 0.000 0.295 221 G HA3 0.257 4.217 3.960 0.000 0.000 0.295 221 G C -0.264 174.190 174.900 -0.745 0.000 1.274 221 G CA -0.297 44.376 45.100 -0.712 0.000 0.857 221 G HN -0.118 nan 8.290 nan 0.000 0.499 222 I N 0.034 120.433 120.570 -0.286 0.000 2.731 222 I HA 0.270 4.440 4.170 0.000 0.000 0.260 222 I C 0.966 177.059 176.117 -0.040 0.000 1.138 222 I CA 1.195 62.419 61.300 -0.127 0.000 1.461 222 I CB -0.208 37.902 38.000 0.184 0.000 1.128 222 I HN 0.630 nan 8.210 nan 0.000 0.438 223 E N 0.277 120.507 120.200 0.051 0.000 2.308 223 E HA 0.669 5.019 4.350 0.000 0.000 0.275 223 E C -1.460 175.149 176.600 0.015 0.000 0.890 223 E CA -0.498 55.940 56.400 0.064 0.000 0.754 223 E CB 2.797 32.613 29.700 0.193 0.000 1.207 223 E HN 0.130 nan 8.360 nan 0.000 0.426 224 A N 2.969 125.718 122.820 -0.118 0.000 2.588 224 A HA 0.705 5.025 4.320 0.000 0.000 0.290 224 A C -0.560 176.807 177.584 -0.362 0.000 1.136 224 A CA -0.579 51.341 52.037 -0.195 0.000 0.681 224 A CB 1.610 20.544 19.000 -0.111 0.000 1.282 224 A HN 0.580 nan 8.150 nan 0.000 0.421 225 R N -0.766 119.525 120.500 -0.348 0.000 2.729 225 R HA 0.278 4.618 4.340 0.000 0.000 0.215 225 R C 0.257 176.440 176.300 -0.195 0.000 0.970 225 R CA 0.693 56.562 56.100 -0.386 0.000 1.196 225 R CB 0.346 30.277 30.300 -0.616 0.000 1.670 225 R HN 0.631 nan 8.270 nan 0.000 0.575 226 S N 0.347 115.956 115.700 -0.152 0.000 2.566 226 S HA 0.734 5.204 4.470 0.000 0.000 0.298 226 S C -1.260 173.260 174.600 -0.134 0.000 1.083 226 S CA -0.513 57.610 58.200 -0.127 0.000 0.978 226 S CB 1.771 64.897 63.200 -0.123 0.000 1.073 226 S HN -0.041 nan 8.310 nan 0.000 0.491 227 V N 2.378 122.201 119.914 -0.152 0.000 3.120 227 V HA 0.885 5.005 4.120 0.000 0.000 0.303 227 V C -1.675 174.305 176.094 -0.190 0.000 1.238 227 V CA -0.360 61.838 62.300 -0.169 0.000 1.008 227 V CB 2.286 34.027 31.823 -0.136 0.000 1.064 227 V HN 1.010 nan 8.190 nan 0.000 0.434 228 E N 2.649 122.713 120.200 -0.227 0.000 2.407 228 E HA 0.705 5.055 4.350 0.000 0.000 0.279 228 E C -1.797 174.724 176.600 -0.131 0.000 1.012 228 E CA -0.223 56.071 56.400 -0.178 0.000 0.800 228 E CB 2.357 31.941 29.700 -0.193 0.000 1.276 228 E HN 0.794 nan 8.360 nan 0.000 0.452 229 S N 0.738 116.475 115.700 0.061 0.000 2.566 229 S HA 0.624 5.094 4.470 0.000 0.000 0.298 229 S C -1.003 173.799 174.600 0.337 0.000 1.083 229 S CA -0.243 58.057 58.200 0.167 0.000 0.978 229 S CB 0.750 63.979 63.200 0.048 0.000 1.073 229 S HN 0.691 nan 8.310 nan 0.000 0.491 230 S N 2.909 118.757 115.700 0.247 0.000 2.525 230 S HA 0.272 4.742 4.470 0.000 0.000 0.285 230 S C 0.138 174.765 174.600 0.045 0.000 1.283 230 S CA -0.203 57.967 58.200 -0.050 0.000 1.072 230 S CB 0.309 63.281 63.200 -0.379 0.000 0.867 230 S HN 0.745 nan 8.310 nan 0.000 0.492 231 K N 1.166 121.593 120.400 0.044 0.000 2.469 231 K HA 0.220 4.540 4.320 0.000 0.000 0.204 231 K C -0.615 176.028 176.600 0.073 0.000 1.047 231 K CA -0.294 56.006 56.287 0.021 0.000 1.072 231 K CB 0.333 32.772 32.500 -0.102 0.000 0.863 231 K HN 0.645 nan 8.250 nan 0.000 0.530 232 F N 2.920 122.881 119.950 0.018 0.000 2.399 232 F HA 0.162 4.688 4.527 -0.000 0.000 0.342 232 F C 0.445 176.369 175.800 0.207 0.000 1.106 232 F CA -0.843 57.185 58.000 0.047 0.000 1.196 232 F CB 0.627 39.582 39.000 -0.075 0.000 1.163 232 F HN -0.268 nan 8.300 nan 0.000 0.547 233 K N 3.948 123.961 120.400 -0.645 0.000 2.504 233 K HA 0.139 4.459 4.320 0.000 0.000 0.278 233 K C 0.895 177.443 176.600 -0.087 0.000 1.025 233 K CA 0.985 57.051 56.287 -0.370 0.000 1.093 233 K CB -0.589 31.611 32.500 -0.500 0.000 0.873 233 K HN 1.012 nan 8.250 nan 0.000 0.483 234 G N 2.859 111.651 108.800 -0.013 0.000 2.136 234 G HA2 -0.284 3.676 3.960 0.000 0.000 0.242 234 G HA3 -0.284 3.676 3.960 0.000 0.000 0.242 234 G C -0.005 174.779 174.900 -0.193 0.000 0.989 234 G CA 0.024 45.080 45.100 -0.074 0.000 0.682 234 G HN 0.598 nan 8.290 nan 0.000 0.522 235 Y N 0.625 120.958 120.300 0.056 0.000 2.719 235 Y HA 0.317 4.867 4.550 -0.000 0.000 0.251 235 Y C 0.929 176.808 175.900 -0.035 0.000 1.159 235 Y CA -0.846 57.284 58.100 0.050 0.000 1.166 235 Y CB 0.481 39.052 38.460 0.185 0.000 1.219 235 Y HN 0.339 nan 8.280 nan 0.000 0.551 236 E N 1.993 122.227 120.200 0.057 0.000 2.585 236 E HA -0.094 4.256 4.350 0.000 0.000 0.252 236 E C -0.311 176.273 176.600 -0.026 0.000 0.981 236 E CA 0.755 57.165 56.400 0.016 0.000 0.943 236 E CB 0.134 29.835 29.700 0.002 0.000 0.923 236 E HN 0.342 nan 8.360 nan 0.000 0.486 237 D N 2.256 122.638 120.400 -0.030 0.000 2.945 237 D HA -0.222 4.419 4.640 0.000 0.000 0.225 237 D C 0.834 177.033 176.300 -0.168 0.000 1.158 237 D CA 0.581 54.537 54.000 -0.073 0.000 0.805 237 D CB -0.443 40.336 40.800 -0.036 0.000 1.098 237 D HN 0.451 nan 8.370 nan 0.000 0.426 238 R N -0.903 119.466 120.500 -0.218 0.000 2.057 238 R HA 0.059 4.399 4.340 0.000 0.000 0.224 238 R C 0.646 176.452 176.300 -0.824 0.000 1.136 238 R CA 1.283 57.078 56.100 -0.507 0.000 0.968 238 R CB 0.075 30.109 30.300 -0.442 0.000 0.863 238 R HN 0.317 nan 8.270 nan 0.000 0.433 239 Y N -1.354 118.881 120.300 -0.109 0.000 2.581 239 Y HA 0.380 4.930 4.550 -0.001 0.000 0.345 239 Y C -0.268 175.632 175.900 -0.001 0.000 1.036 239 Y CA -0.821 57.239 58.100 -0.066 0.000 1.042 239 Y CB 2.148 40.564 38.460 -0.074 0.000 1.289 239 Y HN -0.278 nan 8.280 nan 0.000 0.471 240 T N 3.252 117.877 114.554 0.117 0.000 2.881 240 T HA 0.583 4.933 4.350 0.000 0.000 0.290 240 T C -1.315 173.269 174.700 -0.193 0.000 1.000 240 T CA -0.495 61.574 62.100 -0.051 0.000 0.978 240 T CB 1.192 70.013 68.868 -0.077 0.000 0.997 240 T HN 0.562 nan 8.240 nan 0.000 0.443 241 I N 2.286 122.574 120.570 -0.469 0.000 2.646 241 I HA 0.839 5.009 4.170 0.000 0.000 0.299 241 I C -1.177 174.734 176.117 -0.344 0.000 1.036 241 I CA -0.867 60.120 61.300 -0.522 0.000 1.074 241 I CB 1.346 38.675 38.000 -1.120 0.000 1.258 241 I HN 0.775 nan 8.210 nan 0.000 0.430 242 A N 4.521 127.227 122.820 -0.190 0.000 2.486 242 A HA 0.792 5.112 4.320 0.000 0.000 0.300 242 A C -0.762 176.796 177.584 -0.043 0.000 1.048 242 A CA -0.423 51.538 52.037 -0.126 0.000 0.696 242 A CB 1.562 20.508 19.000 -0.090 0.000 1.278 242 A HN 0.837 nan 8.150 nan 0.000 0.405 243 G N 0.226 108.998 108.800 -0.046 0.000 2.415 243 G HA2 0.729 4.689 3.960 0.000 0.000 0.327 243 G HA3 0.729 4.689 3.960 0.000 0.000 0.327 243 G C -0.191 174.735 174.900 0.044 0.000 1.182 243 G CA 0.207 45.327 45.100 0.033 0.000 0.924 243 G HN 1.518 nan 8.290 nan 0.000 0.470 244 A N 1.348 124.221 122.820 0.088 0.000 2.311 244 A HA 0.690 5.010 4.320 0.000 0.000 0.334 244 A C -0.014 177.736 177.584 0.276 0.000 1.139 244 A CA -0.632 51.469 52.037 0.107 0.000 0.830 244 A CB 1.117 20.134 19.000 0.029 0.000 1.234 244 A HN 0.670 nan 8.150 nan 0.000 0.483 245 Y N -0.376 119.964 120.300 0.068 0.000 2.343 245 Y HA 0.162 4.712 4.550 -0.000 0.000 0.294 245 Y C 0.546 176.605 175.900 0.265 0.000 1.122 245 Y CA 0.152 58.337 58.100 0.141 0.000 1.173 245 Y CB 0.335 38.883 38.460 0.147 0.000 1.077 245 Y HN 0.677 nan 8.280 nan 0.000 0.542 246 W N 1.553 122.977 121.300 0.206 0.000 3.097 246 W HA 0.323 4.983 4.660 0.001 0.000 0.335 246 W C -3.193 173.372 176.519 0.077 0.000 1.114 246 W CA -2.206 55.218 57.345 0.133 0.000 1.231 246 W CB 2.103 31.652 29.460 0.147 0.000 1.388 246 W HN -0.165 nan 8.180 nan 0.000 0.485 247 P HA 0.142 nan 4.420 nan 0.000 0.272 247 P C -2.507 174.505 177.300 -0.479 0.000 1.240 247 P CA -0.773 61.621 63.100 -1.176 0.000 0.791 247 P CB 0.302 31.532 31.700 -0.783 0.000 0.978 248 P HA 0.038 nan 4.420 nan 0.000 0.264 248 P C -0.714 176.515 177.300 -0.117 0.000 1.537 248 P CA 0.619 63.636 63.100 -0.138 0.000 1.189 248 P CB -0.475 31.173 31.700 -0.087 0.000 1.687 249 Q N 2.289 122.049 119.800 -0.067 0.000 2.738 249 Q HA 0.647 4.987 4.340 0.000 0.000 0.301 249 Q C -1.487 174.535 176.000 0.036 0.000 0.901 249 Q CA -1.033 54.718 55.803 -0.087 0.000 0.756 249 Q CB 1.238 29.875 28.738 -0.168 0.000 1.463 249 Q HN 0.169 nan 8.270 nan 0.000 0.432 250 F N -1.348 118.565 119.950 -0.061 0.000 2.599 250 F HA 0.971 5.498 4.527 -0.000 0.000 0.311 250 F C -1.525 174.230 175.800 -0.076 0.000 1.076 250 F CA -0.905 57.050 58.000 -0.076 0.000 0.937 250 F CB 1.866 40.810 39.000 -0.094 0.000 1.282 250 F HN 0.816 nan 8.300 nan 0.000 0.460 251 A N 3.150 126.051 122.820 0.134 0.000 2.371 251 A HA 0.825 5.146 4.320 0.000 0.000 0.311 251 A C -1.304 176.311 177.584 0.052 0.000 1.068 251 A CA -0.794 51.262 52.037 0.031 0.000 0.744 251 A CB 1.067 20.065 19.000 -0.003 0.000 1.239 251 A HN 0.818 nan 8.150 nan 0.000 0.435 252 I N 2.334 122.922 120.570 0.031 0.000 2.354 252 I HA 0.439 4.609 4.170 0.000 0.000 0.292 252 I C -0.210 175.902 176.117 -0.007 0.000 0.989 252 I CA 0.008 61.318 61.300 0.017 0.000 1.188 252 I CB 1.644 39.668 38.000 0.040 0.000 1.342 252 I HN 0.688 nan 8.210 nan 0.000 0.457 253 M N 3.835 123.436 119.600 0.002 0.000 2.761 253 M HA 0.354 4.834 4.480 0.000 0.000 0.305 253 M C -0.672 175.654 176.300 0.043 0.000 1.235 253 M CA -0.762 54.513 55.300 -0.041 0.000 0.850 253 M CB 1.675 34.205 32.600 -0.116 0.000 1.744 253 M HN 0.353 nan 8.290 nan 0.000 0.480 254 D N 0.285 120.655 120.400 -0.050 0.000 2.425 254 D HA 0.201 4.841 4.640 0.000 0.000 0.247 254 D C 1.137 177.367 176.300 -0.117 0.000 1.147 254 D CA 0.682 54.640 54.000 -0.070 0.000 0.879 254 D CB 1.108 41.845 40.800 -0.106 0.000 1.179 254 D HN 0.694 nan 8.370 nan 0.000 0.456 255 G N 3.005 111.695 108.800 -0.184 0.000 2.509 255 G HA2 -0.190 3.771 3.960 0.000 0.000 0.218 255 G HA3 -0.190 3.771 3.960 0.000 0.000 0.218 255 G C 1.128 175.885 174.900 -0.238 0.000 1.124 255 G CA 0.317 45.305 45.100 -0.188 0.000 0.776 255 G HN 0.506 nan 8.290 nan 0.000 0.547 256 E N -0.195 119.876 120.200 -0.215 0.000 2.201 256 E HA -0.028 4.322 4.350 0.000 0.000 0.193 256 E C 2.584 179.080 176.600 -0.174 0.000 0.957 256 E CA 1.478 57.738 56.400 -0.233 0.000 0.858 256 E CB 0.141 29.755 29.700 -0.142 0.000 0.816 256 E HN 0.558 nan 8.360 nan 0.000 0.475 257 T N -2.499 112.017 114.554 -0.062 0.000 2.975 257 T HA 0.234 4.584 4.350 0.000 0.000 0.257 257 T C 1.096 175.909 174.700 0.188 0.000 1.003 257 T CA -0.228 61.929 62.100 0.095 0.000 0.932 257 T CB 0.452 69.456 68.868 0.226 0.000 1.087 257 T HN 0.104 nan 8.240 nan 0.000 0.512 258 L N 0.620 121.839 121.223 -0.007 0.000 4.140 258 L HA -0.136 4.204 4.340 0.000 0.000 0.406 258 L C 0.172 176.786 176.870 -0.427 0.000 1.175 258 L CA 0.407 55.199 54.840 -0.080 0.000 0.939 258 L CB -1.717 40.380 42.059 0.064 0.000 2.105 258 L HN 0.608 nan 8.230 nan 0.000 0.803 259 E N 3.625 123.468 120.200 -0.595 0.000 2.290 259 E HA 0.204 4.554 4.350 0.000 0.000 0.277 259 E C -1.962 174.225 176.600 -0.689 0.000 1.035 259 E CA -1.627 54.020 56.400 -1.256 0.000 0.873 259 E CB 0.909 30.047 29.700 -0.937 0.000 1.029 259 E HN 0.051 nan 8.360 nan 0.000 0.419 260 P HA -0.035 nan 4.420 nan 0.000 0.267 260 P C -0.587 176.578 177.300 -0.226 0.000 1.209 260 P CA 0.043 62.953 63.100 -0.316 0.000 0.763 260 P CB 1.084 32.640 31.700 -0.241 0.000 0.816 261 K N 1.691 122.011 120.400 -0.133 0.000 2.312 261 K HA 0.180 4.500 4.320 0.000 0.000 0.206 261 K C 0.755 177.313 176.600 -0.071 0.000 1.121 261 K CA 0.862 57.100 56.287 -0.081 0.000 0.923 261 K CB 0.239 32.725 32.500 -0.023 0.000 1.162 261 K HN 0.468 nan 8.250 nan 0.000 0.478 262 Q N 0.242 120.001 119.800 -0.069 0.000 2.389 262 Q HA 0.519 4.859 4.340 0.000 0.000 0.277 262 Q C -0.870 175.061 176.000 -0.114 0.000 1.082 262 Q CA -0.389 55.364 55.803 -0.083 0.000 0.810 262 Q CB 2.826 31.523 28.738 -0.067 0.000 1.374 262 Q HN 0.107 nan 8.270 nan 0.000 0.422 263 I N 1.160 121.635 120.570 -0.159 0.000 2.466 263 I HA 0.494 4.664 4.170 0.000 0.000 0.289 263 I C -0.626 175.293 176.117 -0.330 0.000 1.026 263 I CA -1.015 60.153 61.300 -0.221 0.000 1.078 263 I CB 2.173 40.088 38.000 -0.142 0.000 1.249 263 I HN 0.119 nan 8.210 nan 0.000 0.429 264 V N 4.271 123.821 119.914 -0.607 0.000 2.487 264 V HA 0.337 4.457 4.120 0.000 0.000 0.298 264 V C 0.138 175.903 176.094 -0.549 0.000 1.028 264 V CA -0.607 61.293 62.300 -0.665 0.000 0.860 264 V CB 1.923 33.103 31.823 -1.070 0.000 0.991 264 V HN 0.801 nan 8.190 nan 0.000 0.427 265 S N 2.620 118.146 115.700 -0.290 0.000 2.548 265 S HA 0.226 4.696 4.470 0.000 0.000 0.277 265 S C 1.150 175.688 174.600 -0.103 0.000 1.315 265 S CA 0.240 58.334 58.200 -0.175 0.000 1.050 265 S CB 1.033 64.170 63.200 -0.105 0.000 0.918 265 S HN 1.030 nan 8.310 nan 0.000 0.497 266 T N 2.160 116.684 114.554 -0.050 0.000 3.069 266 T HA 0.301 4.651 4.350 0.000 0.000 0.252 266 T C 0.525 175.232 174.700 0.012 0.000 1.053 266 T CA -0.334 61.777 62.100 0.017 0.000 0.964 266 T CB -0.139 68.763 68.868 0.057 0.000 1.005 266 T HN 0.582 nan 8.240 nan 0.000 0.532 267 R N 1.184 121.696 120.500 0.020 0.000 2.538 267 R HA 0.520 4.860 4.340 0.000 0.000 0.282 267 R C 0.754 177.132 176.300 0.130 0.000 1.009 267 R CA 0.781 56.920 56.100 0.065 0.000 1.063 267 R CB 0.307 30.701 30.300 0.158 0.000 0.945 267 R HN 0.573 nan 8.270 nan 0.000 0.414 268 G N 1.627 110.476 108.800 0.081 0.000 2.341 268 G HA2 0.219 4.180 3.960 0.000 0.000 0.299 268 G HA3 0.219 4.180 3.960 0.000 0.000 0.299 268 G C -1.424 173.538 174.900 0.104 0.000 1.274 268 G CA -0.973 44.224 45.100 0.161 0.000 0.853 268 G HN 0.221 nan 8.290 nan 0.000 0.493 269 M N 1.990 121.660 119.600 0.117 0.000 2.211 269 M HA 0.362 4.842 4.480 0.000 0.000 0.356 269 M C 1.096 177.407 176.300 0.018 0.000 1.216 269 M CA -0.626 54.724 55.300 0.083 0.000 1.134 269 M CB 0.308 32.955 32.600 0.080 0.000 1.564 269 M HN 0.801 nan 8.290 nan 0.000 0.463 270 T N -1.085 113.472 114.554 0.004 0.000 2.860 270 T HA 0.277 4.627 4.350 0.000 0.000 0.299 270 T C 1.112 175.795 174.700 -0.029 0.000 1.045 270 T CA -0.755 61.322 62.100 -0.038 0.000 1.071 270 T CB 1.271 70.119 68.868 -0.034 0.000 0.985 270 T HN 0.490 nan 8.240 nan 0.000 0.537 271 V N 1.340 121.225 119.914 -0.049 0.000 2.407 271 V HA -0.061 4.059 4.120 0.000 0.000 0.245 271 V C 2.250 178.332 176.094 -0.021 0.000 1.041 271 V CA 2.380 64.660 62.300 -0.034 0.000 1.040 271 V CB -0.807 30.991 31.823 -0.043 0.000 0.671 271 V HN 1.064 nan 8.190 nan 0.000 0.455 272 D N 0.107 120.493 120.400 -0.023 0.000 2.084 272 D HA -0.165 4.475 4.640 0.000 0.000 0.199 272 D C 1.982 178.284 176.300 0.005 0.000 0.981 272 D CA 2.402 56.399 54.000 -0.006 0.000 0.841 272 D CB -1.240 39.560 40.800 0.000 0.000 0.997 272 D HN 0.549 nan 8.370 nan 0.000 0.454 273 T N -3.774 110.786 114.554 0.008 0.000 3.081 273 T HA 0.063 4.413 4.350 0.000 0.000 0.255 273 T C 0.820 175.531 174.700 0.019 0.000 1.113 273 T CA 0.261 62.371 62.100 0.017 0.000 1.082 273 T CB -0.449 68.434 68.868 0.025 0.000 0.939 273 T HN 0.297 nan 8.240 nan 0.000 0.506 274 Q N 1.810 121.620 119.800 0.017 0.000 2.468 274 Q HA -0.152 4.188 4.340 0.000 0.000 0.289 274 Q C -0.324 175.702 176.000 0.042 0.000 1.299 274 Q CA 0.767 56.584 55.803 0.024 0.000 0.838 274 Q CB -2.122 26.627 28.738 0.018 0.000 1.195 274 Q HN 0.904 nan 8.270 nan 0.000 0.456 275 T N -3.611 110.973 114.554 0.051 0.000 2.950 275 T HA 0.528 4.878 4.350 0.000 0.000 0.288 275 T C -0.583 174.187 174.700 0.116 0.000 1.035 275 T CA -0.896 61.251 62.100 0.078 0.000 1.028 275 T CB 1.364 70.267 68.868 0.059 0.000 1.109 275 T HN 0.246 nan 8.240 nan 0.000 0.514 276 Y N 1.777 122.089 120.300 0.020 0.000 2.377 276 Y HA 0.343 4.893 4.550 0.000 0.000 0.330 276 Y C 0.147 176.070 175.900 0.039 0.000 1.108 276 Y CA -0.430 57.689 58.100 0.031 0.000 1.308 276 Y CB 0.285 38.753 38.460 0.013 0.000 1.216 276 Y HN 0.790 nan 8.280 nan 0.000 0.518 277 H N 8.827 127.458 119.070 -0.732 0.000 2.587 277 H HA 0.281 4.837 4.556 -0.000 0.000 0.325 277 H C -2.154 172.640 175.328 -0.890 0.000 1.012 277 H CA -2.445 53.251 56.048 -0.586 0.000 1.213 277 H CB 2.284 31.860 29.762 -0.309 0.000 1.431 277 H HN 0.526 nan 8.280 nan 0.000 0.492 278 P HA 0.007 nan 4.420 nan 0.000 0.245 278 P C -0.010 177.350 177.300 0.100 0.000 1.212 278 P CA 0.627 63.590 63.100 -0.228 0.000 0.774 278 P CB 0.673 32.373 31.700 0.000 0.000 0.999 279 E N 0.585 120.951 120.200 0.277 0.000 3.191 279 E HA 0.257 4.607 4.350 0.000 0.000 0.303 279 E C -2.826 173.862 176.600 0.147 0.000 1.197 279 E CA -1.684 54.898 56.400 0.303 0.000 0.901 279 E CB 1.149 31.083 29.700 0.390 0.000 1.446 279 E HN 0.001 nan 8.360 nan 0.000 0.385 280 P HA 0.271 nan 4.420 nan 0.000 0.245 280 P C -0.860 176.375 177.300 -0.107 0.000 1.740 280 P CA -0.484 62.506 63.100 -0.183 0.000 1.125 280 P CB 0.058 31.653 31.700 -0.176 0.000 1.747 281 R N 1.138 121.549 120.500 -0.148 0.000 2.638 281 R HA 0.161 4.501 4.340 0.000 0.000 0.268 281 R C 0.076 176.330 176.300 -0.076 0.000 1.006 281 R CA -0.119 55.874 56.100 -0.179 0.000 1.088 281 R CB 0.119 30.045 30.300 -0.624 0.000 0.950 281 R HN 0.171 nan 8.270 nan 0.000 0.419 282 V N 3.411 123.373 119.914 0.080 0.000 2.406 282 V HA 0.264 4.384 4.120 0.000 0.000 0.272 282 V C 0.755 176.961 176.094 0.187 0.000 1.043 282 V CA 0.154 62.519 62.300 0.107 0.000 0.915 282 V CB 0.793 32.688 31.823 0.120 0.000 0.988 282 V HN 1.006 nan 8.190 nan 0.000 0.466 283 A N 5.215 128.098 122.820 0.106 0.000 3.770 283 A HA 0.861 5.181 4.320 0.000 0.000 0.186 283 A C 1.041 178.619 177.584 -0.010 0.000 1.796 283 A CA 0.344 52.443 52.037 0.103 0.000 1.822 283 A CB -0.507 18.539 19.000 0.077 0.000 1.392 283 A HN 1.035 nan 8.150 nan 0.000 0.461 284 A N -0.768 122.024 122.820 -0.047 0.000 2.425 284 A HA 0.537 4.857 4.320 0.000 0.000 0.242 284 A C -0.312 177.197 177.584 -0.125 0.000 1.077 284 A CA 0.325 52.322 52.037 -0.066 0.000 0.781 284 A CB -0.409 18.601 19.000 0.016 0.000 1.020 284 A HN 0.546 nan 8.150 nan 0.000 0.494 285 I N 1.380 121.832 120.570 -0.196 0.000 2.607 285 I HA 0.467 4.637 4.170 0.000 0.000 0.290 285 I C -0.741 175.181 176.117 -0.326 0.000 1.129 285 I CA -0.132 60.998 61.300 -0.283 0.000 1.042 285 I CB 1.831 39.664 38.000 -0.278 0.000 1.242 285 I HN 0.667 nan 8.210 nan 0.000 0.421 286 I N 4.296 124.595 120.570 -0.452 0.000 2.730 286 I HA 0.746 4.916 4.170 0.000 0.000 0.298 286 I C -0.648 175.328 176.117 -0.236 0.000 1.089 286 I CA -0.541 60.475 61.300 -0.473 0.000 1.041 286 I CB 2.059 39.446 38.000 -1.021 0.000 1.235 286 I HN 0.695 nan 8.210 nan 0.000 0.423 287 A N 4.813 127.610 122.820 -0.038 0.000 2.289 287 A HA 0.524 4.845 4.320 0.000 0.000 0.298 287 A C -0.149 177.477 177.584 0.070 0.000 1.208 287 A CA -0.269 51.805 52.037 0.062 0.000 0.845 287 A CB 0.929 19.988 19.000 0.098 0.000 1.125 287 A HN 0.684 nan 8.150 nan 0.000 0.517 288 S N 0.754 116.468 115.700 0.024 0.000 2.562 288 S HA 0.162 4.632 4.470 0.000 0.000 0.281 288 S C 0.692 175.270 174.600 -0.036 0.000 1.333 288 S CA 0.002 58.269 58.200 0.112 0.000 1.052 288 S CB 0.031 63.221 63.200 -0.018 0.000 0.884 288 S HN 0.745 nan 8.310 nan 0.000 0.506 289 H N 1.746 120.867 119.070 0.085 0.000 2.654 289 H HA 0.268 4.824 4.556 0.000 0.000 0.264 289 H C 1.563 176.966 175.328 0.125 0.000 0.954 289 H CA 0.147 56.235 56.048 0.067 0.000 1.199 289 H CB 0.483 30.164 29.762 -0.136 0.000 1.446 289 H HN 0.571 nan 8.280 nan 0.000 0.516 290 E N 0.046 120.285 120.200 0.066 0.000 2.216 290 E HA 0.056 4.406 4.350 0.000 0.000 0.192 290 E C 0.007 176.325 176.600 -0.469 0.000 0.973 290 E CA 0.690 56.991 56.400 -0.166 0.000 0.851 290 E CB 0.595 30.082 29.700 -0.354 0.000 0.804 290 E HN 0.528 nan 8.360 nan 0.000 0.477 291 H N -0.462 118.417 119.070 -0.317 0.000 2.961 291 H HA 0.226 4.782 4.556 -0.000 0.000 0.371 291 H C -2.413 172.104 175.328 -1.351 0.000 1.190 291 H CA -2.114 53.382 56.048 -0.919 0.000 1.138 291 H CB 2.004 31.445 29.762 -0.534 0.000 1.816 291 H HN -0.165 nan 8.280 nan 0.000 0.551 292 P HA 0.134 nan 4.420 nan 0.000 0.249 292 P C -0.619 175.603 177.300 -1.797 0.000 1.737 292 P CA 0.362 62.459 63.100 -1.671 0.000 1.128 292 P CB 0.092 30.899 31.700 -1.488 0.000 1.942 293 E N 1.007 120.442 120.200 -1.275 0.000 2.433 293 E HA 0.538 4.888 4.350 0.000 0.000 0.278 293 E C -1.200 175.059 176.600 -0.568 0.000 0.976 293 E CA -0.721 55.152 56.400 -0.879 0.000 0.793 293 E CB 1.368 30.777 29.700 -0.486 0.000 1.311 293 E HN 0.061 nan 8.360 nan 0.000 0.460 294 F N 1.352 121.195 119.950 -0.179 0.000 2.458 294 F HA 0.455 4.982 4.527 -0.000 0.000 0.336 294 F C -0.047 175.591 175.800 -0.271 0.000 1.114 294 F CA -0.707 57.194 58.000 -0.165 0.000 0.987 294 F CB 0.988 39.896 39.000 -0.153 0.000 1.130 294 F HN 0.222 nan 8.300 nan 0.000 0.458 295 I N 4.899 125.392 120.570 -0.128 0.000 2.291 295 I HA 0.299 4.469 4.170 0.000 0.000 0.290 295 I C -0.750 175.168 176.117 -0.332 0.000 1.050 295 I CA -0.596 60.539 61.300 -0.275 0.000 1.245 295 I CB 0.694 38.434 38.000 -0.434 0.000 1.405 295 I HN 0.157 nan 8.210 nan 0.000 0.478 296 V N 6.031 125.777 119.914 -0.279 0.000 2.483 296 V HA 0.335 4.455 4.120 0.000 0.000 0.295 296 V C 0.065 176.068 176.094 -0.151 0.000 1.035 296 V CA -0.802 61.332 62.300 -0.278 0.000 0.896 296 V CB 1.715 33.274 31.823 -0.440 0.000 0.986 296 V HN 0.589 nan 8.190 nan 0.000 0.447 297 N N 2.491 121.136 118.700 -0.091 0.000 2.438 297 N HA 0.499 5.239 4.740 0.000 0.000 0.282 297 N C -0.813 174.683 175.510 -0.023 0.000 1.037 297 N CA -0.242 52.799 53.050 -0.014 0.000 0.942 297 N CB 1.897 40.410 38.487 0.044 0.000 1.136 297 N HN 0.432 nan 8.380 nan 0.000 0.481 298 V N 3.471 123.367 119.914 -0.030 0.000 2.304 298 V HA 0.196 4.316 4.120 0.000 0.000 0.278 298 V C 1.479 177.518 176.094 -0.093 0.000 1.018 298 V CA -0.771 61.500 62.300 -0.048 0.000 0.814 298 V CB 1.158 32.955 31.823 -0.043 0.000 1.021 298 V HN 0.676 nan 8.190 nan 0.000 0.440 299 K N 3.464 123.807 120.400 -0.095 0.000 1.980 299 K HA -0.264 4.056 4.320 0.000 0.000 0.231 299 K C 1.750 178.156 176.600 -0.324 0.000 1.018 299 K CA 2.653 58.859 56.287 -0.136 0.000 1.063 299 K CB 0.034 32.473 32.500 -0.101 0.000 0.731 299 K HN 0.716 nan 8.250 nan 0.000 0.456 300 E N -0.350 119.570 120.200 -0.468 0.000 2.147 300 E HA -0.193 4.157 4.350 0.000 0.000 0.199 300 E C 1.864 178.098 176.600 -0.609 0.000 1.005 300 E CA 2.199 58.150 56.400 -0.749 0.000 0.810 300 E CB -0.325 28.764 29.700 -1.019 0.000 0.736 300 E HN 0.698 nan 8.360 nan 0.000 0.460 301 T N -3.465 110.842 114.554 -0.410 0.000 3.081 301 T HA 0.194 4.544 4.350 0.000 0.000 0.255 301 T C 1.504 176.090 174.700 -0.190 0.000 1.113 301 T CA 0.255 62.204 62.100 -0.252 0.000 1.082 301 T CB -0.013 68.758 68.868 -0.161 0.000 0.939 301 T HN 0.278 nan 8.240 nan 0.000 0.506 302 G N 1.211 109.889 108.800 -0.203 0.000 2.314 302 G HA2 -0.219 3.741 3.960 0.000 0.000 0.292 302 G HA3 -0.219 3.741 3.960 0.000 0.000 0.292 302 G C -0.290 174.561 174.900 -0.081 0.000 1.059 302 G CA 0.049 45.070 45.100 -0.132 0.000 0.982 302 G HN 0.659 nan 8.290 nan 0.000 0.505 303 K N -1.026 119.332 120.400 -0.070 0.000 2.259 303 K HA 0.722 5.042 4.320 0.000 0.000 0.252 303 K C -0.189 176.392 176.600 -0.032 0.000 0.936 303 K CA -0.684 55.577 56.287 -0.044 0.000 0.810 303 K CB 2.455 34.932 32.500 -0.037 0.000 1.143 303 K HN 0.123 nan 8.250 nan 0.000 0.427 304 V N 4.940 124.839 119.914 -0.024 0.000 2.326 304 V HA 0.375 4.495 4.120 0.000 0.000 0.281 304 V C -0.677 175.392 176.094 -0.043 0.000 1.015 304 V CA -0.817 61.471 62.300 -0.019 0.000 0.823 304 V CB 0.700 32.533 31.823 0.017 0.000 1.009 304 V HN 0.554 nan 8.190 nan 0.000 0.436 305 L N 5.830 127.010 121.223 -0.071 0.000 2.292 305 L HA 0.530 4.870 4.340 0.000 0.000 0.284 305 L C -0.337 176.460 176.870 -0.122 0.000 1.065 305 L CA -0.426 54.365 54.840 -0.081 0.000 0.806 305 L CB 1.124 43.140 42.059 -0.072 0.000 1.175 305 L HN 0.394 nan 8.230 nan 0.000 0.431 306 L N 4.802 125.962 121.223 -0.106 0.000 2.297 306 L HA 0.360 4.700 4.340 0.000 0.000 0.277 306 L C -0.520 176.269 176.870 -0.135 0.000 1.040 306 L CA -0.612 54.148 54.840 -0.133 0.000 0.867 306 L CB 1.356 43.335 42.059 -0.134 0.000 1.244 306 L HN 0.339 nan 8.230 nan 0.000 0.433 307 V N 2.632 122.468 119.914 -0.131 0.000 2.368 307 V HA 0.159 4.280 4.120 0.000 0.000 0.266 307 V C 0.535 176.533 176.094 -0.161 0.000 1.045 307 V CA -0.549 61.704 62.300 -0.078 0.000 0.899 307 V CB 1.162 32.973 31.823 -0.020 0.000 1.006 307 V HN 0.647 nan 8.190 nan 0.000 0.470 308 N N 4.144 122.719 118.700 -0.209 0.000 2.422 308 N HA 0.107 4.847 4.740 0.000 0.000 0.264 308 N C 0.216 175.550 175.510 -0.293 0.000 1.063 308 N CA -0.326 52.502 53.050 -0.371 0.000 0.959 308 N CB 1.208 39.506 38.487 -0.316 0.000 1.087 308 N HN 0.737 nan 8.380 nan 0.000 0.483 309 Y N 2.676 122.793 120.300 -0.304 0.000 2.457 309 Y HA 0.315 4.865 4.550 -0.001 0.000 0.263 309 Y C 1.865 177.643 175.900 -0.203 0.000 1.164 309 Y CA -0.341 57.562 58.100 -0.329 0.000 1.274 309 Y CB -0.198 37.985 38.460 -0.462 0.000 1.097 309 Y HN 0.429 nan 8.280 nan 0.000 0.523 310 K N 0.969 121.306 120.400 -0.105 0.000 2.218 310 K HA -0.217 4.103 4.320 0.000 0.000 0.205 310 K C -0.421 176.270 176.600 0.151 0.000 1.046 310 K CA 1.812 58.149 56.287 0.084 0.000 0.933 310 K CB -0.029 32.441 32.500 -0.049 0.000 0.728 310 K HN 0.423 nan 8.250 nan 0.000 0.454 311 D N -0.434 119.998 120.400 0.054 0.000 2.319 311 D HA 0.038 4.678 4.640 0.000 0.000 0.237 311 D C 0.393 176.691 176.300 -0.003 0.000 1.353 311 D CA -0.451 53.578 54.000 0.049 0.000 0.992 311 D CB 0.681 41.497 40.800 0.026 0.000 1.368 311 D HN 0.197 nan 8.370 nan 0.000 0.564 312 I N -0.450 120.107 120.570 -0.022 0.000 3.564 312 I HA 0.175 4.345 4.170 0.000 0.000 0.294 312 I C 0.477 176.575 176.117 -0.032 0.000 1.289 312 I CA 0.188 61.444 61.300 -0.074 0.000 1.325 312 I CB 0.260 38.145 38.000 -0.192 0.000 1.039 312 I HN 0.060 nan 8.210 nan 0.000 0.474 313 D N 1.888 122.284 120.400 -0.006 0.000 2.183 313 D HA -0.031 4.609 4.640 0.000 0.000 0.205 313 D C 0.227 176.519 176.300 -0.014 0.000 0.962 313 D CA 0.983 54.980 54.000 -0.005 0.000 0.849 313 D CB -0.006 40.799 40.800 0.008 0.000 0.978 313 D HN 0.581 nan 8.370 nan 0.000 0.488 314 N N 0.880 119.571 118.700 -0.014 0.000 2.851 314 N HA 0.196 4.936 4.740 0.000 0.000 0.248 314 N C -0.983 174.512 175.510 -0.026 0.000 1.221 314 N CA -0.447 52.591 53.050 -0.019 0.000 0.847 314 N CB 1.382 39.859 38.487 -0.015 0.000 1.150 314 N HN -0.076 nan 8.380 nan 0.000 0.507 315 L N 1.706 122.914 121.223 -0.026 0.000 2.462 315 L HA 0.149 4.489 4.340 0.000 0.000 0.272 315 L C 0.012 176.866 176.870 -0.026 0.000 1.166 315 L CA 0.923 55.749 54.840 -0.023 0.000 0.880 315 L CB 0.513 42.570 42.059 -0.005 0.000 1.142 315 L HN 0.321 nan 8.230 nan 0.000 0.473 316 T N 4.661 119.188 114.554 -0.044 0.000 2.779 316 T HA 0.613 4.963 4.350 0.000 0.000 0.280 316 T C -0.674 173.993 174.700 -0.055 0.000 0.987 316 T CA -0.403 61.663 62.100 -0.056 0.000 0.966 316 T CB 1.189 70.007 68.868 -0.082 0.000 0.933 316 T HN 0.303 nan 8.240 nan 0.000 0.442 317 V N 3.382 123.276 119.914 -0.034 0.000 2.588 317 V HA 0.531 4.651 4.120 0.000 0.000 0.304 317 V C 0.035 176.104 176.094 -0.042 0.000 1.042 317 V CA -0.784 61.502 62.300 -0.024 0.000 0.877 317 V CB 2.298 34.144 31.823 0.038 0.000 0.996 317 V HN 0.907 nan 8.190 nan 0.000 0.425 318 T N 2.911 117.428 114.554 -0.062 0.000 2.770 318 T HA 0.310 4.660 4.350 0.000 0.000 0.283 318 T C -0.105 174.567 174.700 -0.047 0.000 0.988 318 T CA -0.160 61.902 62.100 -0.062 0.000 0.957 318 T CB 1.304 70.118 68.868 -0.090 0.000 0.930 318 T HN 0.641 nan 8.240 nan 0.000 0.443 319 S N 4.101 119.782 115.700 -0.032 0.000 2.422 319 S HA 0.568 5.038 4.470 0.000 0.000 0.298 319 S C -0.210 174.374 174.600 -0.027 0.000 1.118 319 S CA -0.732 57.453 58.200 -0.024 0.000 1.083 319 S CB -0.240 62.954 63.200 -0.011 0.000 0.971 319 S HN 0.560 nan 8.310 nan 0.000 0.478 320 I N 4.375 124.928 120.570 -0.028 0.000 2.354 320 I HA 0.412 4.582 4.170 0.000 0.000 0.292 320 I C 1.028 177.130 176.117 -0.026 0.000 0.989 320 I CA -0.773 60.511 61.300 -0.026 0.000 1.188 320 I CB 1.665 39.650 38.000 -0.025 0.000 1.342 320 I HN 0.701 nan 8.210 nan 0.000 0.457 321 G N 3.633 112.417 108.800 -0.026 0.000 2.415 321 G HA2 0.554 4.514 3.960 0.000 0.000 0.269 321 G HA3 0.554 4.514 3.960 0.000 0.000 0.269 321 G C 0.035 174.915 174.900 -0.033 0.000 1.209 321 G CA 0.237 45.320 45.100 -0.029 0.000 0.835 321 G HN 0.794 nan 8.290 nan 0.000 0.534 322 A N 1.670 124.467 122.820 -0.037 0.000 2.085 322 A HA 0.965 5.285 4.320 0.000 0.000 0.202 322 A C 0.530 178.093 177.584 -0.035 0.000 2.124 322 A CA 0.737 52.749 52.037 -0.042 0.000 1.584 322 A CB 0.131 19.104 19.000 -0.046 0.000 1.136 322 A HN 2.099 nan 8.150 nan 0.000 0.493 323 A N -0.368 122.432 122.820 -0.033 0.000 2.604 323 A HA 0.705 5.025 4.320 0.000 0.000 0.295 323 A C -3.174 174.392 177.584 -0.029 0.000 1.067 323 A CA -1.385 50.642 52.037 -0.017 0.000 0.683 323 A CB 0.852 19.856 19.000 0.006 0.000 1.281 323 A HN 0.287 nan 8.150 nan 0.000 0.407 324 P HA 0.373 nan 4.420 nan 0.000 0.268 324 P C -0.501 176.788 177.300 -0.019 0.000 1.205 324 P CA 0.751 63.754 63.100 -0.162 0.000 0.771 324 P CB -0.134 31.452 31.700 -0.190 0.000 0.858 325 F N -1.694 118.230 119.950 -0.045 0.000 3.006 325 F HA -0.181 4.346 4.527 0.000 0.000 0.318 325 F C 0.421 176.220 175.800 -0.001 0.000 0.936 325 F CA 0.025 58.004 58.000 -0.035 0.000 1.151 325 F CB -2.319 36.658 39.000 -0.038 0.000 1.212 325 F HN 0.193 nan 8.300 nan 0.000 0.687 326 L N 1.355 122.623 121.223 0.076 0.000 2.455 326 L HA 0.191 4.531 4.340 0.000 0.000 0.272 326 L C 1.377 178.348 176.870 0.168 0.000 1.174 326 L CA 0.437 55.326 54.840 0.081 0.000 0.869 326 L CB 0.732 42.804 42.059 0.022 0.000 1.130 326 L HN 0.491 nan 8.230 nan 0.000 0.474 327 H N 1.355 120.444 119.070 0.030 0.000 5.214 327 H HA 0.165 4.721 4.556 0.000 0.000 0.090 327 H C -0.630 174.710 175.328 0.021 0.000 1.307 327 H CA -0.261 55.811 56.048 0.040 0.000 0.450 327 H CB 0.890 30.675 29.762 0.039 0.000 1.651 327 H HN 0.753 nan 8.280 nan 0.000 0.136 328 D N 0.058 120.399 120.400 -0.098 0.000 2.466 328 D HA 0.499 5.139 4.640 0.000 0.000 0.262 328 D C 0.401 176.664 176.300 -0.062 0.000 1.177 328 D CA -0.235 53.682 54.000 -0.139 0.000 1.035 328 D CB 1.833 42.501 40.800 -0.220 0.000 1.105 328 D HN 0.748 nan 8.370 nan 0.000 0.551 329 G N -2.962 105.831 108.800 -0.012 0.000 2.320 329 G HA2 0.585 4.546 3.960 0.000 0.000 0.297 329 G HA3 0.585 4.546 3.960 0.000 0.000 0.297 329 G C -1.048 173.906 174.900 0.091 0.000 1.344 329 G CA -0.296 44.755 45.100 -0.082 0.000 0.851 329 G HN 0.936 nan 8.290 nan 0.000 0.567 330 G N -2.004 106.824 108.800 0.047 0.000 2.550 330 G HA2 0.555 4.515 3.960 0.000 0.000 0.293 330 G HA3 0.555 4.515 3.960 0.000 0.000 0.293 330 G C -1.338 173.758 174.900 0.326 0.000 1.402 330 G CA -0.850 44.381 45.100 0.219 0.000 0.784 330 G HN 0.685 nan 8.290 nan 0.000 0.482 331 W N 1.007 122.652 121.300 0.575 0.000 2.126 331 W HA 0.371 5.031 4.660 -0.000 0.000 0.346 331 W C 0.936 177.703 176.519 0.412 0.000 1.279 331 W CA -0.436 57.143 57.345 0.390 0.000 1.259 331 W CB 0.813 30.375 29.460 0.170 0.000 1.133 331 W HN 0.606 nan 8.180 nan 0.000 0.592 332 D N -0.362 120.421 120.400 0.637 0.000 2.411 332 D HA -0.010 4.630 4.640 0.000 0.000 0.251 332 D C 1.374 177.957 176.300 0.471 0.000 1.201 332 D CA 0.228 54.531 54.000 0.505 0.000 0.996 332 D CB 0.836 41.910 40.800 0.457 0.000 1.101 332 D HN 0.424 nan 8.370 nan 0.000 0.504 333 S N -0.070 115.831 115.700 0.334 0.000 2.402 333 S HA -0.265 4.205 4.470 0.000 0.000 0.233 333 S C 1.816 176.431 174.600 0.025 0.000 1.030 333 S CA 1.792 60.095 58.200 0.172 0.000 1.003 333 S CB -0.886 62.379 63.200 0.108 0.000 0.813 333 S HN 0.618 nan 8.310 nan 0.000 0.477 334 S N 0.060 115.807 115.700 0.077 0.000 2.558 334 S HA 0.102 4.572 4.470 0.000 0.000 0.217 334 S C 0.507 175.022 174.600 -0.141 0.000 0.975 334 S CA 0.286 58.452 58.200 -0.056 0.000 0.912 334 S CB -1.075 62.148 63.200 0.038 0.000 0.776 334 S HN 0.783 nan 8.310 nan 0.000 0.526 335 H N 0.123 119.041 119.070 -0.253 0.000 2.903 335 H HA -0.143 4.413 4.556 -0.000 0.000 0.285 335 H C 1.214 175.944 175.328 -0.996 0.000 1.231 335 H CA 0.782 56.364 56.048 -0.776 0.000 1.135 335 H CB -1.020 28.160 29.762 -0.971 0.000 1.328 335 H HN 0.557 nan 8.280 nan 0.000 0.388 336 R N 0.040 120.303 120.500 -0.396 0.000 2.310 336 R HA 0.090 4.430 4.340 0.000 0.000 0.199 336 R C -0.397 175.703 176.300 -0.332 0.000 0.891 336 R CA 0.231 56.042 56.100 -0.482 0.000 1.060 336 R CB 0.753 30.743 30.300 -0.517 0.000 1.188 336 R HN 0.121 nan 8.270 nan 0.000 0.607 337 Y N 0.443 120.919 120.300 0.294 0.000 2.342 337 Y HA 0.278 4.828 4.550 0.001 0.000 0.338 337 Y C -0.756 175.436 175.900 0.486 0.000 0.965 337 Y CA -1.268 57.025 58.100 0.321 0.000 1.159 337 Y CB 1.095 39.666 38.460 0.184 0.000 1.157 337 Y HN -0.049 nan 8.280 nan 0.000 0.486 338 F N 5.776 125.915 119.950 0.315 0.000 2.405 338 F HA 0.349 4.877 4.527 0.001 0.000 0.358 338 F C -0.548 175.131 175.800 -0.201 0.000 1.151 338 F CA -1.609 56.380 58.000 -0.017 0.000 1.161 338 F CB 0.336 39.197 39.000 -0.232 0.000 1.245 338 F HN 0.322 nan 8.300 nan 0.000 0.545 339 M N 6.059 125.236 119.600 -0.705 0.000 2.201 339 M HA 0.144 4.624 4.480 0.000 0.000 0.345 339 M C 0.194 175.768 176.300 -1.211 0.000 1.352 339 M CA 0.119 54.747 55.300 -1.120 0.000 1.218 339 M CB -0.253 31.152 32.600 -1.992 0.000 1.512 339 M HN 0.556 nan 8.290 nan 0.000 0.447 340 T N 2.088 116.027 114.554 -1.023 0.000 2.856 340 T HA 0.771 5.121 4.350 0.000 0.000 0.283 340 T C -0.644 173.867 174.700 -0.314 0.000 1.008 340 T CA -0.587 61.059 62.100 -0.757 0.000 0.997 340 T CB 1.302 69.618 68.868 -0.921 0.000 0.992 340 T HN 0.706 nan 8.240 nan 0.000 0.454 341 A N 2.899 125.642 122.820 -0.129 0.000 2.289 341 A HA 0.728 5.048 4.320 0.000 0.000 0.298 341 A C 0.457 178.060 177.584 0.031 0.000 1.208 341 A CA -0.517 51.518 52.037 -0.004 0.000 0.845 341 A CB 0.300 19.335 19.000 0.058 0.000 1.125 341 A HN 1.139 nan 8.150 nan 0.000 0.517 342 A N 3.356 126.202 122.820 0.044 0.000 3.000 342 A HA 0.393 4.713 4.320 0.000 0.000 0.315 342 A C 0.900 178.547 177.584 0.106 0.000 1.434 342 A CA -0.452 51.637 52.037 0.088 0.000 1.108 342 A CB -0.797 18.242 19.000 0.065 0.000 1.171 342 A HN 0.942 nan 8.150 nan 0.000 0.524 343 N N 1.786 120.545 118.700 0.098 0.000 2.069 343 N HA -0.259 4.481 4.740 0.000 0.000 0.191 343 N C 0.893 176.405 175.510 0.005 0.000 1.031 343 N CA 2.307 55.390 53.050 0.056 0.000 0.852 343 N CB -0.734 37.764 38.487 0.019 0.000 1.018 343 N HN 0.709 nan 8.380 nan 0.000 0.423 344 N N -0.757 117.901 118.700 -0.070 0.000 2.512 344 N HA 0.049 4.789 4.740 0.000 0.000 0.183 344 N C 0.345 175.822 175.510 -0.055 0.000 1.073 344 N CA 0.629 53.553 53.050 -0.211 0.000 0.911 344 N CB 0.020 38.064 38.487 -0.738 0.000 0.964 344 N HN 0.194 nan 8.380 nan 0.000 0.447 345 S N 0.550 116.293 115.700 0.071 0.000 2.575 345 S HA 0.079 4.549 4.470 0.000 0.000 0.215 345 S C 0.033 174.667 174.600 0.057 0.000 0.966 345 S CA -0.317 57.936 58.200 0.089 0.000 0.911 345 S CB 0.133 63.409 63.200 0.127 0.000 0.780 345 S HN 0.298 nan 8.310 nan 0.000 0.514 346 N N 2.051 120.782 118.700 0.050 0.000 2.714 346 N HA -0.159 4.581 4.740 0.000 0.000 0.252 346 N C -0.568 174.986 175.510 0.074 0.000 1.014 346 N CA 1.175 54.262 53.050 0.063 0.000 0.735 346 N CB -0.933 37.573 38.487 0.033 0.000 0.924 346 N HN 0.564 nan 8.380 nan 0.000 0.540 347 K N -1.024 119.422 120.400 0.077 0.000 2.495 347 K HA 0.685 5.005 4.320 0.000 0.000 0.268 347 K C -0.744 175.889 176.600 0.055 0.000 1.008 347 K CA -0.781 55.544 56.287 0.064 0.000 0.882 347 K CB 2.383 34.906 32.500 0.038 0.000 1.443 347 K HN -0.127 nan 8.250 nan 0.000 0.447 348 V N 1.498 121.432 119.914 0.034 0.000 2.483 348 V HA 0.476 4.596 4.120 0.000 0.000 0.297 348 V C -0.742 175.290 176.094 -0.104 0.000 1.027 348 V CA -0.763 61.527 62.300 -0.017 0.000 0.855 348 V CB 1.427 33.284 31.823 0.057 0.000 0.995 348 V HN 0.903 nan 8.190 nan 0.000 0.424 349 A N 4.982 127.699 122.820 -0.172 0.000 2.310 349 A HA 0.792 5.112 4.320 0.000 0.000 0.299 349 A C -0.532 176.860 177.584 -0.320 0.000 1.147 349 A CA -0.403 51.513 52.037 -0.202 0.000 0.818 349 A CB 1.123 20.027 19.000 -0.160 0.000 1.096 349 A HN 0.689 nan 8.150 nan 0.000 0.495 350 V N 4.439 124.152 119.914 -0.336 0.000 2.350 350 V HA 0.280 4.400 4.120 0.000 0.000 0.285 350 V C -0.596 175.330 176.094 -0.279 0.000 1.014 350 V CA -0.413 61.622 62.300 -0.441 0.000 0.831 350 V CB 1.105 32.425 31.823 -0.837 0.000 1.000 350 V HN 0.677 nan 8.190 nan 0.000 0.433 351 I N 3.772 124.276 120.570 -0.111 0.000 2.312 351 I HA 0.332 4.503 4.170 0.000 0.000 0.290 351 I C 0.083 176.279 176.117 0.131 0.000 1.008 351 I CA -0.346 60.974 61.300 0.032 0.000 1.226 351 I CB 1.435 39.522 38.000 0.146 0.000 1.371 351 I HN 0.557 nan 8.210 nan 0.000 0.468 352 D N 4.433 124.896 120.400 0.105 0.000 2.339 352 D HA 0.063 4.703 4.640 0.000 0.000 0.256 352 D C 1.164 177.488 176.300 0.040 0.000 1.214 352 D CA 0.070 54.117 54.000 0.078 0.000 0.877 352 D CB 1.279 42.165 40.800 0.143 0.000 1.111 352 D HN 0.577 nan 8.370 nan 0.000 0.478 353 S N 3.462 119.177 115.700 0.025 0.000 2.470 353 S HA -0.069 4.401 4.470 0.000 0.000 0.225 353 S C 1.612 176.269 174.600 0.096 0.000 1.006 353 S CA 0.358 58.617 58.200 0.098 0.000 0.934 353 S CB 0.216 63.548 63.200 0.220 0.000 0.778 353 S HN 0.502 nan 8.310 nan 0.000 0.517 354 K N 1.293 121.695 120.400 0.005 0.000 1.995 354 K HA -0.034 4.286 4.320 0.000 0.000 0.207 354 K C 1.217 177.921 176.600 0.173 0.000 1.041 354 K CA 1.564 57.890 56.287 0.065 0.000 0.942 354 K CB -0.259 32.209 32.500 -0.055 0.000 0.731 354 K HN 0.146 nan 8.250 nan 0.000 0.439 355 D N 0.532 120.978 120.400 0.076 0.000 2.264 355 D HA -0.054 4.586 4.640 0.000 0.000 0.208 355 D C -0.340 175.974 176.300 0.025 0.000 0.966 355 D CA 0.638 54.675 54.000 0.062 0.000 0.864 355 D CB 0.014 40.856 40.800 0.069 0.000 0.933 355 D HN 0.217 nan 8.370 nan 0.000 0.499 356 R N -0.038 120.475 120.500 0.022 0.000 3.076 356 R HA -0.200 4.140 4.340 0.000 0.000 0.261 356 R C -0.250 176.041 176.300 -0.014 0.000 0.930 356 R CA 0.483 56.575 56.100 -0.014 0.000 0.649 356 R CB -1.907 28.343 30.300 -0.084 0.000 1.350 356 R HN 0.390 nan 8.270 nan 0.000 0.453 357 R N -0.955 119.548 120.500 0.005 0.000 2.733 357 R HA 0.496 4.837 4.340 0.000 0.000 0.272 357 R C -1.436 174.859 176.300 -0.009 0.000 1.029 357 R CA -1.328 54.770 56.100 -0.002 0.000 0.888 357 R CB 0.801 31.106 30.300 0.008 0.000 1.251 357 R HN 0.006 nan 8.270 nan 0.000 0.464 358 L N 1.973 123.178 121.223 -0.030 0.000 2.342 358 L HA 0.288 4.628 4.340 0.000 0.000 0.285 358 L C 0.406 177.220 176.870 -0.094 0.000 1.095 358 L CA 0.486 55.287 54.840 -0.066 0.000 0.843 358 L CB 1.332 43.355 42.059 -0.060 0.000 1.201 358 L HN 0.820 nan 8.230 nan 0.000 0.445 359 S N 3.548 119.144 115.700 -0.175 0.000 2.428 359 S HA 0.420 4.890 4.470 0.000 0.000 0.230 359 S C 0.556 174.960 174.600 -0.327 0.000 1.014 359 S CA 0.688 58.727 58.200 -0.268 0.000 0.957 359 S CB -0.172 62.704 63.200 -0.541 0.000 0.784 359 S HN 0.913 nan 8.310 nan 0.000 0.499 360 A N -0.245 122.376 122.820 -0.331 0.000 2.489 360 A HA 0.605 4.925 4.320 0.000 0.000 0.293 360 A C -2.193 175.295 177.584 -0.160 0.000 1.004 360 A CA -0.811 51.107 52.037 -0.200 0.000 0.626 360 A CB 0.341 19.241 19.000 -0.167 0.000 1.345 360 A HN 0.150 nan 8.150 nan 0.000 0.447 361 L N 1.212 122.393 121.223 -0.069 0.000 2.372 361 L HA 0.555 4.895 4.340 0.000 0.000 0.273 361 L C -0.909 175.961 176.870 -0.001 0.000 0.989 361 L CA -0.914 53.898 54.840 -0.046 0.000 0.841 361 L CB 1.806 43.849 42.059 -0.026 0.000 1.225 361 L HN 0.542 nan 8.230 nan 0.000 0.414 362 V N 1.432 121.353 119.914 0.012 0.000 2.472 362 V HA 0.302 4.422 4.120 0.000 0.000 0.290 362 V C -0.131 175.998 176.094 0.058 0.000 1.037 362 V CA -0.807 61.526 62.300 0.055 0.000 0.908 362 V CB 1.821 33.698 31.823 0.091 0.000 0.985 362 V HN 0.548 nan 8.190 nan 0.000 0.454 363 D N 2.880 123.314 120.400 0.056 0.000 2.308 363 D HA 0.480 5.120 4.640 0.000 0.000 0.251 363 D C 0.183 176.524 176.300 0.067 0.000 1.127 363 D CA 0.260 54.291 54.000 0.052 0.000 0.876 363 D CB 1.999 42.820 40.800 0.035 0.000 1.176 363 D HN 0.512 nan 8.370 nan 0.000 0.446 364 V N -0.213 119.751 119.914 0.082 0.000 3.329 364 V HA 0.852 4.972 4.120 0.000 0.000 0.308 364 V C 0.740 176.839 176.094 0.008 0.000 1.375 364 V CA -0.677 61.691 62.300 0.114 0.000 1.015 364 V CB 0.540 32.524 31.823 0.269 0.000 1.155 364 V HN 0.469 nan 8.190 nan 0.000 0.479 365 G N -0.418 108.283 108.800 -0.165 0.000 2.516 365 G HA2 0.433 4.393 3.960 0.000 0.000 0.276 365 G HA3 0.433 4.393 3.960 0.000 0.000 0.276 365 G C -0.586 174.149 174.900 -0.275 0.000 1.390 365 G CA -0.769 43.987 45.100 -0.574 0.000 1.050 365 G HN 0.808 nan 8.290 nan 0.000 0.519 366 K N 0.812 121.067 120.400 -0.243 0.000 2.349 366 K HA 0.406 4.726 4.320 0.000 0.000 0.288 366 K C 0.040 176.687 176.600 0.079 0.000 1.058 366 K CA 0.379 56.636 56.287 -0.051 0.000 0.953 366 K CB 0.582 33.051 32.500 -0.051 0.000 0.997 366 K HN 0.499 nan 8.250 nan 0.000 0.477 367 T N 2.860 117.473 114.554 0.098 0.000 3.501 367 T HA -0.101 4.249 4.350 0.000 0.000 0.411 367 T C -2.339 172.490 174.700 0.214 0.000 0.766 367 T CA -0.450 61.716 62.100 0.110 0.000 2.129 367 T CB -1.628 67.263 68.868 0.038 0.000 1.711 367 T HN 0.504 nan 8.240 nan 0.000 0.712 368 P HA 0.107 nan 4.420 nan 0.000 0.267 368 P C -0.268 177.069 177.300 0.063 0.000 1.205 368 P CA 0.293 63.446 63.100 0.088 0.000 0.765 368 P CB 0.534 32.302 31.700 0.113 0.000 0.828 369 H N 6.137 125.132 119.070 -0.125 0.000 2.761 369 H HA 0.233 4.789 4.556 0.000 0.000 0.263 369 H C -2.161 173.089 175.328 -0.131 0.000 1.292 369 H CA -1.959 54.044 56.048 -0.074 0.000 1.540 369 H CB 1.670 31.376 29.762 -0.093 0.000 1.569 369 H HN 0.217 nan 8.280 nan 0.000 0.510 370 P HA 0.116 nan 4.420 nan 0.000 0.245 370 P C 1.047 178.356 177.300 0.014 0.000 1.203 370 P CA 1.321 64.382 63.100 -0.065 0.000 0.792 370 P CB 1.172 32.889 31.700 0.028 0.000 0.997 371 G N 1.856 110.616 108.800 -0.066 0.000 2.565 371 G HA2 -0.353 3.608 3.960 0.000 0.000 0.295 371 G HA3 -0.353 3.608 3.960 0.000 0.000 0.295 371 G C 0.973 175.939 174.900 0.110 0.000 1.165 371 G CA 0.385 45.575 45.100 0.149 0.000 0.977 371 G HN 0.304 nan 8.290 nan 0.000 0.546 372 R N 1.580 122.116 120.500 0.059 0.000 2.334 372 R HA 0.457 4.797 4.340 0.000 0.000 0.216 372 R C 1.302 177.598 176.300 -0.005 0.000 0.905 372 R CA 1.121 57.126 56.100 -0.157 0.000 1.064 372 R CB 0.157 30.056 30.300 -0.669 0.000 1.046 372 R HN 2.041 nan 8.270 nan 0.000 0.508 373 G N 0.417 109.247 108.800 0.050 0.000 2.728 373 G HA2 -0.048 3.912 3.960 0.000 0.000 0.294 373 G HA3 -0.048 3.912 3.960 0.000 0.000 0.294 373 G C -1.096 173.770 174.900 -0.057 0.000 1.342 373 G CA -0.527 44.473 45.100 -0.167 0.000 0.866 373 G HN 0.335 nan 8.290 nan 0.000 0.534 374 A N 0.363 123.038 122.820 -0.242 0.000 2.385 374 A HA 0.744 5.064 4.320 0.000 0.000 0.290 374 A C -0.311 177.353 177.584 0.132 0.000 1.094 374 A CA -0.557 51.538 52.037 0.097 0.000 0.729 374 A CB 1.060 20.153 19.000 0.155 0.000 1.194 374 A HN 0.789 nan 8.150 nan 0.000 0.442 375 N N 1.835 120.724 118.700 0.315 0.000 2.430 375 N HA 0.797 5.537 4.740 0.000 0.000 0.292 375 N C -1.010 174.703 175.510 0.340 0.000 1.051 375 N CA 0.212 53.433 53.050 0.284 0.000 0.917 375 N CB 1.687 40.380 38.487 0.344 0.000 1.164 375 N HN 0.671 nan 8.380 nan 0.000 0.484 376 F N -1.982 118.042 119.950 0.123 0.000 2.741 376 F HA 0.448 4.975 4.527 0.000 0.000 0.311 376 F C -1.400 174.451 175.800 0.085 0.000 1.149 376 F CA -1.218 56.835 58.000 0.087 0.000 0.930 376 F CB 0.560 39.605 39.000 0.074 0.000 1.312 376 F HN -0.006 nan 8.300 nan 0.000 0.450 377 V N 2.826 122.919 119.914 0.299 0.000 2.368 377 V HA 0.203 4.323 4.120 0.000 0.000 0.266 377 V C 0.079 176.330 176.094 0.262 0.000 1.045 377 V CA -0.316 62.086 62.300 0.170 0.000 0.899 377 V CB 0.284 32.178 31.823 0.117 0.000 1.006 377 V HN 0.829 nan 8.190 nan 0.000 0.470 378 H N 8.759 127.892 119.070 0.106 0.000 2.683 378 H HA 0.204 4.760 4.556 0.000 0.000 0.339 378 H C -1.428 173.939 175.328 0.065 0.000 1.081 378 H CA -1.636 54.506 56.048 0.157 0.000 1.432 378 H CB 2.251 32.091 29.762 0.130 0.000 1.462 378 H HN 0.382 nan 8.280 nan 0.000 0.557 379 P HA -0.172 nan 4.420 nan 0.000 0.215 379 P C 1.214 178.553 177.300 0.064 0.000 1.153 379 P CA 1.525 64.611 63.100 -0.023 0.000 0.853 379 P CB 0.526 32.159 31.700 -0.112 0.000 0.788 380 K N -1.111 119.371 120.400 0.137 0.000 2.166 380 K HA -0.049 4.271 4.320 0.000 0.000 0.201 380 K C 1.762 178.211 176.600 -0.251 0.000 1.052 380 K CA 0.689 56.888 56.287 -0.146 0.000 0.969 380 K CB -0.085 32.118 32.500 -0.494 0.000 0.761 380 K HN 0.025 nan 8.250 nan 0.000 0.459 381 Y N 0.328 120.615 120.300 -0.021 0.000 2.457 381 Y HA 0.304 4.854 4.550 0.000 0.000 0.263 381 Y C 1.057 176.850 175.900 -0.178 0.000 1.164 381 Y CA 0.150 58.036 58.100 -0.357 0.000 1.274 381 Y CB 0.464 38.434 38.460 -0.815 0.000 1.097 381 Y HN 0.308 nan 8.280 nan 0.000 0.523 382 G N 0.542 109.326 108.800 -0.025 0.000 2.642 382 G HA2 -0.233 3.727 3.960 0.000 0.000 0.231 382 G HA3 -0.233 3.727 3.960 0.000 0.000 0.231 382 G C -2.759 172.017 174.900 -0.206 0.000 1.338 382 G CA -1.272 43.616 45.100 -0.352 0.000 0.883 382 G HN 0.017 nan 8.290 nan 0.000 0.570 383 P HA 0.367 nan 4.420 nan 0.000 0.260 383 P C 0.240 177.458 177.300 -0.136 0.000 1.185 383 P CA 0.665 63.693 63.100 -0.120 0.000 0.763 383 P CB 0.790 32.448 31.700 -0.071 0.000 0.776 384 V N 1.491 121.290 119.914 -0.192 0.000 2.914 384 V HA 0.712 4.832 4.120 0.000 0.000 0.314 384 V C -1.520 174.499 176.094 -0.124 0.000 1.084 384 V CA -1.232 60.944 62.300 -0.208 0.000 0.963 384 V CB 2.359 33.950 31.823 -0.387 0.000 1.025 384 V HN 0.505 nan 8.190 nan 0.000 0.432 385 W N 3.193 124.408 121.300 -0.142 0.000 2.587 385 W HA 0.804 5.465 4.660 0.001 0.000 0.324 385 W C -0.053 176.448 176.519 -0.029 0.000 1.040 385 W CA 0.099 57.433 57.345 -0.018 0.000 1.222 385 W CB 2.058 31.578 29.460 0.100 0.000 1.381 385 W HN 1.040 nan 8.180 nan 0.000 0.483 386 S N 3.491 118.842 115.700 -0.581 0.000 2.600 386 S HA 0.858 5.328 4.470 0.000 0.000 0.300 386 S C -0.766 173.339 174.600 -0.825 0.000 1.087 386 S CA -0.774 57.132 58.200 -0.489 0.000 0.965 386 S CB 2.049 65.171 63.200 -0.131 0.000 1.089 386 S HN 0.554 nan 8.310 nan 0.000 0.496 387 T N 0.354 114.615 114.554 -0.487 0.000 2.894 387 T HA 0.684 5.034 4.350 0.000 0.000 0.309 387 T C -0.426 174.079 174.700 -0.325 0.000 1.208 387 T CA -0.361 61.470 62.100 -0.449 0.000 1.016 387 T CB 1.355 69.976 68.868 -0.412 0.000 1.192 387 T HN 1.096 nan 8.240 nan 0.000 0.491 388 S N 2.368 117.894 115.700 -0.290 0.000 2.745 388 S HA 0.823 5.293 4.470 0.000 0.000 0.292 388 S C -0.845 173.475 174.600 -0.467 0.000 1.127 388 S CA -0.625 57.446 58.200 -0.214 0.000 1.007 388 S CB 0.738 63.914 63.200 -0.040 0.000 1.165 388 S HN 0.875 nan 8.310 nan 0.000 0.544 389 H N -1.495 117.593 119.070 0.030 0.000 2.928 389 H HA 0.512 5.068 4.556 0.000 0.000 0.371 389 H C 0.099 175.438 175.328 0.019 0.000 1.186 389 H CA -0.778 55.291 56.048 0.035 0.000 1.134 389 H CB 1.324 31.102 29.762 0.027 0.000 1.824 389 H HN 0.369 nan 8.280 nan 0.000 0.554 390 L N 0.373 121.680 121.223 0.140 0.000 2.298 390 L HA 0.154 4.494 4.340 0.000 0.000 0.209 390 L C 2.238 179.144 176.870 0.061 0.000 1.084 390 L CA 1.047 55.923 54.840 0.060 0.000 0.816 390 L CB 0.040 42.104 42.059 0.008 0.000 0.967 390 L HN 0.893 nan 8.230 nan 0.000 0.460 391 G N -0.212 108.636 108.800 0.080 0.000 2.572 391 G HA2 -0.073 3.887 3.960 0.000 0.000 0.216 391 G HA3 -0.073 3.887 3.960 0.000 0.000 0.216 391 G C -0.070 174.839 174.900 0.014 0.000 1.133 391 G CA 0.719 45.836 45.100 0.029 0.000 0.791 391 G HN 0.516 nan 8.290 nan 0.000 0.538 392 D N -3.759 116.666 120.400 0.041 0.000 2.692 392 D HA 0.395 5.035 4.640 0.000 0.000 0.303 392 D C 0.604 176.942 176.300 0.063 0.000 1.278 392 D CA -0.152 53.857 54.000 0.015 0.000 0.852 392 D CB 0.534 41.302 40.800 -0.053 0.000 1.375 392 D HN -0.082 nan 8.370 nan 0.000 0.453 393 G N -0.875 107.957 108.800 0.052 0.000 3.383 393 G HA2 0.344 4.305 3.960 0.000 0.000 0.251 393 G HA3 0.344 4.305 3.960 0.000 0.000 0.251 393 G C 0.246 175.212 174.900 0.110 0.000 1.203 393 G CA 0.266 45.414 45.100 0.079 0.000 0.852 393 G HN 0.631 nan 8.290 nan 0.000 0.531 394 S N -0.402 115.366 115.700 0.113 0.000 2.672 394 S HA 0.730 5.200 4.470 0.000 0.000 0.276 394 S C -0.696 174.057 174.600 0.256 0.000 1.207 394 S CA -0.628 57.651 58.200 0.130 0.000 1.002 394 S CB 2.002 65.214 63.200 0.021 0.000 0.998 394 S HN -0.074 nan 8.310 nan 0.000 0.542 395 I N 1.777 122.438 120.570 0.151 0.000 2.468 395 I HA 0.332 4.503 4.170 0.000 0.000 0.285 395 I C -0.405 175.758 176.117 0.078 0.000 1.039 395 I CA -0.038 61.308 61.300 0.077 0.000 1.074 395 I CB 1.956 39.906 38.000 -0.083 0.000 1.228 395 I HN 0.681 nan 8.210 nan 0.000 0.436 396 S N 6.806 122.574 115.700 0.113 0.000 2.499 396 S HA 0.640 5.110 4.470 0.000 0.000 0.279 396 S C -0.255 174.353 174.600 0.014 0.000 1.219 396 S CA -0.607 57.646 58.200 0.090 0.000 1.062 396 S CB 0.608 63.914 63.200 0.177 0.000 0.978 396 S HN 0.339 nan 8.310 nan 0.000 0.489 397 L N 4.293 125.507 121.223 -0.015 0.000 2.280 397 L HA 0.551 4.891 4.340 0.000 0.000 0.287 397 L C -0.645 176.183 176.870 -0.070 0.000 1.023 397 L CA -0.374 54.426 54.840 -0.066 0.000 0.819 397 L CB 0.628 42.629 42.059 -0.097 0.000 1.212 397 L HN 0.509 nan 8.230 nan 0.000 0.420 398 I N 2.270 122.859 120.570 0.033 0.000 2.404 398 I HA 0.378 4.548 4.170 0.000 0.000 0.293 398 I C 0.896 177.028 176.117 0.025 0.000 0.992 398 I CA -0.481 60.866 61.300 0.078 0.000 1.149 398 I CB 1.849 40.005 38.000 0.260 0.000 1.315 398 I HN 0.598 nan 8.210 nan 0.000 0.446 399 G N 2.529 111.287 108.800 -0.070 0.000 2.378 399 G HA2 0.341 4.301 3.960 0.000 0.000 0.255 399 G HA3 0.341 4.301 3.960 0.000 0.000 0.255 399 G C 0.530 175.276 174.900 -0.256 0.000 1.270 399 G CA -0.154 44.858 45.100 -0.147 0.000 0.876 399 G HN 0.741 nan 8.290 nan 0.000 0.521 400 T N -1.052 113.349 114.554 -0.255 0.000 3.296 400 T HA 0.221 4.571 4.350 0.000 0.000 0.285 400 T C -0.175 174.273 174.700 -0.420 0.000 1.014 400 T CA -0.459 61.424 62.100 -0.361 0.000 0.920 400 T CB 0.564 69.505 68.868 0.122 0.000 1.143 400 T HN 0.343 nan 8.240 nan 0.000 0.522 401 D N 1.744 121.886 120.400 -0.430 0.000 2.434 401 D HA 0.390 5.030 4.640 0.000 0.000 0.275 401 D C -2.002 174.147 176.300 -0.252 0.000 1.172 401 D CA -2.418 51.452 54.000 -0.217 0.000 0.916 401 D CB 1.966 42.734 40.800 -0.054 0.000 1.041 401 D HN 0.024 nan 8.370 nan 0.000 0.501 402 P HA -0.089 nan 4.420 nan 0.000 0.216 402 P C 1.211 178.467 177.300 -0.075 0.000 1.153 402 P CA 0.911 63.860 63.100 -0.251 0.000 0.848 402 P CB 0.639 32.278 31.700 -0.102 0.000 0.787 403 K N -0.312 120.088 120.400 -0.002 0.000 1.973 403 K HA -0.049 4.271 4.320 0.000 0.000 0.212 403 K C 1.437 178.037 176.600 -0.000 0.000 1.047 403 K CA 1.517 57.818 56.287 0.023 0.000 0.937 403 K CB -0.639 31.895 32.500 0.057 0.000 0.721 403 K HN 0.009 nan 8.250 nan 0.000 0.440 404 N N -0.317 118.401 118.700 0.031 0.000 2.270 404 N HA 0.033 4.773 4.740 0.000 0.000 0.198 404 N C -0.581 174.852 175.510 -0.127 0.000 1.117 404 N CA 0.343 53.388 53.050 -0.008 0.000 0.845 404 N CB 0.642 39.160 38.487 0.053 0.000 0.980 404 N HN 0.241 nan 8.380 nan 0.000 0.486 405 H N -1.893 117.127 119.070 -0.083 0.000 3.083 405 H HA 0.215 4.771 4.556 0.000 0.000 0.217 405 H C -1.915 173.298 175.328 -0.191 0.000 1.397 405 H CA -0.837 55.149 56.048 -0.104 0.000 1.248 405 H CB 1.052 30.814 29.762 0.001 0.000 2.199 405 H HN 0.002 nan 8.280 nan 0.000 0.521 406 P HA -0.202 nan 4.420 nan 0.000 0.218 406 P C 1.115 178.302 177.300 -0.189 0.000 1.146 406 P CA 1.322 64.329 63.100 -0.156 0.000 0.813 406 P CB 0.384 32.014 31.700 -0.117 0.000 0.778 407 Q N -2.227 117.402 119.800 -0.284 0.000 2.291 407 Q HA -0.139 4.202 4.340 0.000 0.000 0.205 407 Q C 1.003 176.811 176.000 -0.320 0.000 0.970 407 Q CA 1.404 56.976 55.803 -0.385 0.000 0.876 407 Q CB -0.800 27.540 28.738 -0.664 0.000 0.935 407 Q HN 0.413 nan 8.270 nan 0.000 0.455 408 Y N -0.574 119.697 120.300 -0.048 0.000 2.430 408 Y HA 0.520 5.070 4.550 0.000 0.000 0.248 408 Y C 0.473 176.229 175.900 -0.240 0.000 1.108 408 Y CA -1.115 56.924 58.100 -0.102 0.000 1.264 408 Y CB -0.250 38.191 38.460 -0.032 0.000 1.172 408 Y HN -0.023 nan 8.280 nan 0.000 0.520 409 A N 0.028 122.695 122.820 -0.255 0.000 2.548 409 A HA 0.104 4.424 4.320 0.000 0.000 0.247 409 A C 0.091 177.307 177.584 -0.613 0.000 1.067 409 A CA 0.035 51.612 52.037 -0.766 0.000 0.757 409 A CB -1.009 17.409 19.000 -0.970 0.000 0.996 409 A HN 0.716 nan 8.150 nan 0.000 0.504 410 W N 0.366 121.634 121.300 -0.053 0.000 4.849 410 W HA -0.213 4.447 4.660 0.000 0.000 0.358 410 W C 0.258 176.762 176.519 -0.024 0.000 1.331 410 W CA 0.664 57.977 57.345 -0.053 0.000 0.844 410 W CB -1.467 27.953 29.460 -0.067 0.000 2.434 410 W HN 0.659 nan 8.180 nan 0.000 1.458 411 K N 1.181 121.639 120.400 0.097 0.000 2.270 411 K HA 0.273 4.593 4.320 0.000 0.000 0.255 411 K C 0.337 176.932 176.600 -0.009 0.000 0.936 411 K CA -1.186 55.129 56.287 0.047 0.000 0.809 411 K CB 1.644 34.158 32.500 0.023 0.000 1.131 411 K HN -0.145 nan 8.250 nan 0.000 0.427 412 K N 3.861 124.258 120.400 -0.004 0.000 2.199 412 K HA 0.021 4.341 4.320 0.000 0.000 0.226 412 K C 0.799 177.313 176.600 -0.143 0.000 1.237 412 K CA 0.001 56.268 56.287 -0.034 0.000 1.170 412 K CB -0.065 32.440 32.500 0.009 0.000 1.418 412 K HN 0.419 nan 8.250 nan 0.000 0.255 413 V N 1.984 121.727 119.914 -0.285 0.000 2.453 413 V HA -0.218 3.902 4.120 0.000 0.000 0.252 413 V C 0.797 176.495 176.094 -0.659 0.000 1.068 413 V CA 2.070 63.991 62.300 -0.631 0.000 1.070 413 V CB -0.283 30.945 31.823 -0.991 0.000 0.664 413 V HN 0.819 nan 8.190 nan 0.000 0.461 414 A N -1.743 120.855 122.820 -0.371 0.000 2.566 414 A HA 0.700 5.020 4.320 0.000 0.000 0.290 414 A C -1.022 176.526 177.584 -0.059 0.000 1.071 414 A CA -0.720 51.206 52.037 -0.184 0.000 0.658 414 A CB 1.164 20.081 19.000 -0.139 0.000 1.285 414 A HN 0.235 nan 8.150 nan 0.000 0.427 415 E N -0.500 119.705 120.200 0.008 0.000 2.392 415 E HA 0.785 5.135 4.350 0.000 0.000 0.269 415 E C -1.471 175.165 176.600 0.061 0.000 0.924 415 E CA -0.700 55.720 56.400 0.034 0.000 0.784 415 E CB 2.481 32.203 29.700 0.037 0.000 1.292 415 E HN 0.522 nan 8.360 nan 0.000 0.447 416 L N 0.970 122.222 121.223 0.048 0.000 2.376 416 L HA 0.411 4.751 4.340 0.000 0.000 0.258 416 L C -1.062 175.896 176.870 0.146 0.000 1.013 416 L CA -1.033 53.849 54.840 0.070 0.000 0.822 416 L CB 2.207 44.146 42.059 -0.201 0.000 1.388 416 L HN 0.278 nan 8.230 nan 0.000 0.413 417 Q N 1.069 121.054 119.800 0.307 0.000 2.325 417 Q HA 0.491 4.831 4.340 0.000 0.000 0.270 417 Q C -0.131 176.135 176.000 0.444 0.000 1.020 417 Q CA -0.349 55.634 55.803 0.301 0.000 0.785 417 Q CB 2.327 31.209 28.738 0.241 0.000 1.259 417 Q HN 0.824 nan 8.270 nan 0.000 0.452 418 G N 0.787 109.741 108.800 0.256 0.000 2.531 418 G HA2 0.115 4.075 3.960 0.000 0.000 0.281 418 G HA3 0.115 4.075 3.960 0.000 0.000 0.281 418 G C 0.568 175.380 174.900 -0.147 0.000 1.382 418 G CA -0.204 44.882 45.100 -0.022 0.000 1.045 418 G HN 0.555 nan 8.290 nan 0.000 0.533 419 Q N -0.705 118.889 119.800 -0.344 0.000 2.226 419 Q HA 0.171 4.511 4.340 0.000 0.000 0.204 419 Q C 1.136 177.130 176.000 -0.010 0.000 0.975 419 Q CA 1.083 56.805 55.803 -0.136 0.000 0.866 419 Q CB -0.016 28.624 28.738 -0.163 0.000 0.915 419 Q HN 0.734 nan 8.270 nan 0.000 0.440 420 G N -1.342 107.456 108.800 -0.004 0.000 2.352 420 G HA2 0.267 4.227 3.960 0.000 0.000 0.283 420 G HA3 0.267 4.227 3.960 0.000 0.000 0.283 420 G C -0.607 174.311 174.900 0.030 0.000 1.308 420 G CA -0.742 44.371 45.100 0.022 0.000 0.892 420 G HN 0.219 nan 8.290 nan 0.000 0.504 421 G N -1.749 107.071 108.800 0.032 0.000 2.553 421 G HA2 0.570 4.530 3.960 0.000 0.000 0.278 421 G HA3 0.570 4.530 3.960 0.000 0.000 0.278 421 G C 1.411 176.338 174.900 0.045 0.000 1.349 421 G CA 1.288 46.415 45.100 0.044 0.000 1.037 421 G HN 2.478 nan 8.290 nan 0.000 0.508 422 G N -1.953 106.881 108.800 0.058 0.000 2.143 422 G HA2 -0.193 3.767 3.960 0.000 0.000 0.249 422 G HA3 -0.193 3.767 3.960 0.000 0.000 0.249 422 G C 0.648 175.594 174.900 0.077 0.000 0.981 422 G CA 0.908 46.062 45.100 0.090 0.000 0.665 422 G HN 1.392 nan 8.290 nan 0.000 0.528 423 S N -0.795 114.930 115.700 0.042 0.000 2.548 423 S HA 0.600 5.070 4.470 0.000 0.000 0.277 423 S C 1.204 175.756 174.600 -0.080 0.000 1.315 423 S CA -0.107 58.102 58.200 0.016 0.000 1.050 423 S CB 1.057 64.280 63.200 0.037 0.000 0.918 423 S HN 0.400 nan 8.310 nan 0.000 0.497 424 L N 4.082 125.228 121.223 -0.128 0.000 2.624 424 L HA 0.590 4.930 4.340 0.000 0.000 0.222 424 L C -0.794 175.707 176.870 -0.615 0.000 1.046 424 L CA 0.923 55.452 54.840 -0.518 0.000 0.872 424 L CB 0.069 41.871 42.059 -0.429 0.000 1.190 424 L HN 0.659 nan 8.230 nan 0.000 0.487 425 F N -0.777 119.259 119.950 0.144 0.000 2.569 425 F HA 0.498 5.025 4.527 -0.000 0.000 0.312 425 F C -0.280 175.606 175.800 0.143 0.000 1.109 425 F CA -0.820 57.275 58.000 0.158 0.000 0.919 425 F CB 1.916 41.003 39.000 0.145 0.000 1.211 425 F HN -0.325 nan 8.300 nan 0.000 0.446 426 I N 2.779 123.525 120.570 0.294 0.000 2.693 426 I HA 0.686 4.856 4.170 0.000 0.000 0.303 426 I C -1.197 175.086 176.117 0.278 0.000 1.025 426 I CA -0.674 60.762 61.300 0.227 0.000 1.086 426 I CB 1.773 39.818 38.000 0.074 0.000 1.268 426 I HN 0.641 nan 8.210 nan 0.000 0.440 427 K N 3.077 123.686 120.400 0.347 0.000 2.575 427 K HA 0.678 4.998 4.320 0.000 0.000 0.279 427 K C -1.240 175.678 176.600 0.531 0.000 0.969 427 K CA -0.433 56.105 56.287 0.418 0.000 0.868 427 K CB 2.120 34.878 32.500 0.431 0.000 1.457 427 K HN 0.678 nan 8.250 nan 0.000 0.426 428 T N -0.039 114.804 114.554 0.482 0.000 2.677 428 T HA 0.385 4.735 4.350 0.000 0.000 0.305 428 T C -2.295 172.376 174.700 -0.048 0.000 1.569 428 T CA -0.528 61.782 62.100 0.351 0.000 0.984 428 T CB 0.640 69.663 68.868 0.259 0.000 1.629 428 T HN 0.566 nan 8.240 nan 0.000 0.494 429 H N 0.193 119.046 119.070 -0.361 0.000 3.012 429 H HA 0.396 4.952 4.556 0.000 0.000 0.367 429 H C -2.371 172.880 175.328 -0.127 0.000 1.211 429 H CA -1.517 54.288 56.048 -0.405 0.000 1.139 429 H CB 2.438 31.636 29.762 -0.941 0.000 1.838 429 H HN 0.330 nan 8.280 nan 0.000 0.550 430 P HA -0.084 nan 4.420 nan 0.000 0.216 430 P C 0.498 177.881 177.300 0.139 0.000 1.150 430 P CA 1.667 64.765 63.100 -0.003 0.000 0.843 430 P CB 0.295 31.927 31.700 -0.112 0.000 0.787 431 K N -1.071 119.530 120.400 0.335 0.000 2.458 431 K HA 0.155 4.475 4.320 0.000 0.000 0.194 431 K C 0.568 177.266 176.600 0.163 0.000 1.024 431 K CA 0.025 56.441 56.287 0.215 0.000 1.108 431 K CB 0.124 32.745 32.500 0.202 0.000 0.846 431 K HN 0.025 nan 8.250 nan 0.000 0.518 432 S N 0.234 116.036 115.700 0.171 0.000 2.503 432 S HA 0.180 4.650 4.470 0.000 0.000 0.301 432 S C 0.436 175.091 174.600 0.092 0.000 1.087 432 S CA -0.859 57.453 58.200 0.187 0.000 1.042 432 S CB 1.455 64.854 63.200 0.331 0.000 1.043 432 S HN 0.174 nan 8.310 nan 0.000 0.489 433 S N 2.791 118.473 115.700 -0.029 0.000 2.583 433 S HA 0.362 4.832 4.470 0.000 0.000 0.239 433 S C -0.174 174.226 174.600 -0.335 0.000 0.966 433 S CA -0.333 57.754 58.200 -0.188 0.000 0.973 433 S CB -0.547 62.510 63.200 -0.237 0.000 0.794 433 S HN 0.799 nan 8.310 nan 0.000 0.463 434 H N -0.149 118.984 119.070 0.105 0.000 2.731 434 H HA 0.739 5.295 4.556 0.000 0.000 0.368 434 H C -1.322 174.043 175.328 0.062 0.000 1.168 434 H CA -0.944 55.127 56.048 0.037 0.000 1.181 434 H CB 1.720 31.489 29.762 0.012 0.000 1.743 434 H HN 0.197 nan 8.280 nan 0.000 0.547 435 L N 2.728 124.003 121.223 0.087 0.000 2.404 435 L HA 0.359 4.700 4.340 0.000 0.000 0.272 435 L C -1.798 175.148 176.870 0.126 0.000 0.980 435 L CA -0.437 54.489 54.840 0.143 0.000 0.836 435 L CB 0.454 42.517 42.059 0.007 0.000 1.238 435 L HN 0.543 nan 8.230 nan 0.000 0.408 436 Y N 3.865 124.369 120.300 0.340 0.000 2.361 436 Y HA 0.727 5.277 4.550 0.000 0.000 0.332 436 Y C -0.167 175.911 175.900 0.297 0.000 1.101 436 Y CA -0.723 57.575 58.100 0.330 0.000 1.137 436 Y CB 1.908 40.582 38.460 0.358 0.000 1.207 436 Y HN 0.259 nan 8.280 nan 0.000 0.463 437 V N 3.325 123.478 119.914 0.398 0.000 2.612 437 V HA 0.258 4.378 4.120 0.000 0.000 0.301 437 V C -0.881 175.338 176.094 0.208 0.000 1.059 437 V CA -1.054 61.416 62.300 0.283 0.000 0.886 437 V CB 1.630 33.599 31.823 0.245 0.000 1.007 437 V HN 0.835 nan 8.190 nan 0.000 0.426 438 D N 2.437 122.967 120.400 0.218 0.000 2.478 438 D HA 0.632 5.272 4.640 0.000 0.000 0.263 438 D C 0.293 176.640 176.300 0.078 0.000 1.153 438 D CA -0.462 53.630 54.000 0.152 0.000 1.038 438 D CB 1.450 42.385 40.800 0.226 0.000 1.120 438 D HN 0.524 nan 8.370 nan 0.000 0.564 439 T N -3.688 110.884 114.554 0.030 0.000 3.884 439 T HA 0.186 4.536 4.350 0.000 0.000 0.284 439 T C 0.857 175.536 174.700 -0.035 0.000 0.961 439 T CA -0.481 61.620 62.100 0.002 0.000 1.071 439 T CB -0.522 68.332 68.868 -0.023 0.000 1.121 439 T HN 0.349 nan 8.240 nan 0.000 0.496 440 T N 1.523 116.045 114.554 -0.054 0.000 2.653 440 T HA -0.175 4.175 4.350 0.000 0.000 0.267 440 T C 0.676 175.102 174.700 -0.457 0.000 1.037 440 T CA 1.844 63.803 62.100 -0.235 0.000 1.159 440 T CB -0.445 68.290 68.868 -0.221 0.000 0.859 440 T HN 0.516 nan 8.240 nan 0.000 0.449 441 F N 1.236 121.187 119.950 0.001 0.000 2.668 441 F HA 0.347 4.874 4.527 0.000 0.000 0.297 441 F C 0.981 176.759 175.800 -0.036 0.000 1.124 441 F CA -1.124 56.861 58.000 -0.026 0.000 1.353 441 F CB -0.213 38.772 39.000 -0.026 0.000 0.992 441 F HN 0.045 nan 8.300 nan 0.000 0.524 442 N N 3.213 121.944 118.700 0.053 0.000 2.475 442 N HA 0.035 4.775 4.740 0.000 0.000 0.267 442 N C -1.521 173.993 175.510 0.007 0.000 1.169 442 N CA -1.086 51.980 53.050 0.027 0.000 0.947 442 N CB 1.348 39.833 38.487 -0.004 0.000 1.061 442 N HN -0.018 nan 8.380 nan 0.000 0.466 443 P HA -0.088 nan 4.420 nan 0.000 0.226 443 P C -0.282 177.004 177.300 -0.023 0.000 1.146 443 P CA 0.829 63.925 63.100 -0.007 0.000 0.773 443 P CB 0.179 31.873 31.700 -0.009 0.000 0.772 444 D N -0.587 119.798 120.400 -0.026 0.000 2.313 444 D HA 0.389 5.029 4.640 0.000 0.000 0.239 444 D C 1.381 177.652 176.300 -0.048 0.000 1.142 444 D CA -0.347 53.633 54.000 -0.034 0.000 0.847 444 D CB 1.085 41.868 40.800 -0.029 0.000 1.082 444 D HN -0.146 nan 8.370 nan 0.000 0.480 445 A N 4.827 127.615 122.820 -0.053 0.000 1.892 445 A HA -0.245 4.075 4.320 0.000 0.000 0.218 445 A C 2.110 179.649 177.584 -0.074 0.000 1.188 445 A CA 1.596 53.593 52.037 -0.067 0.000 0.631 445 A CB -0.449 18.514 19.000 -0.063 0.000 0.822 445 A HN 0.714 nan 8.150 nan 0.000 0.447 446 R N -0.507 119.952 120.500 -0.068 0.000 2.105 446 R HA -0.095 4.245 4.340 0.000 0.000 0.239 446 R C 1.932 178.180 176.300 -0.086 0.000 1.135 446 R CA 1.772 57.825 56.100 -0.079 0.000 0.967 446 R CB -0.348 29.912 30.300 -0.068 0.000 0.861 446 R HN 0.604 nan 8.270 nan 0.000 0.442 447 I N 0.249 120.776 120.570 -0.070 0.000 2.286 447 I HA -0.215 3.955 4.170 0.000 0.000 0.245 447 I C 2.372 178.441 176.117 -0.081 0.000 1.104 447 I CA 1.303 62.560 61.300 -0.071 0.000 1.397 447 I CB -0.229 37.742 38.000 -0.048 0.000 1.072 447 I HN 0.297 nan 8.210 nan 0.000 0.417 448 S N 0.257 115.908 115.700 -0.082 0.000 2.447 448 S HA -0.186 4.284 4.470 0.000 0.000 0.233 448 S C 1.654 176.190 174.600 -0.106 0.000 1.006 448 S CA 0.830 58.971 58.200 -0.098 0.000 0.957 448 S CB -0.314 62.816 63.200 -0.117 0.000 0.773 448 S HN 0.521 nan 8.310 nan 0.000 0.507 449 Q N 1.359 121.094 119.800 -0.109 0.000 2.246 449 Q HA 0.284 4.624 4.340 0.000 0.000 0.202 449 Q C 0.194 176.100 176.000 -0.158 0.000 0.883 449 Q CA 0.019 55.751 55.803 -0.118 0.000 0.952 449 Q CB 0.558 29.228 28.738 -0.114 0.000 1.078 449 Q HN 0.751 nan 8.270 nan 0.000 0.493 450 S N -1.047 114.557 115.700 -0.160 0.000 2.661 450 S HA 0.769 5.239 4.470 0.000 0.000 0.285 450 S C -0.583 173.907 174.600 -0.183 0.000 1.138 450 S CA -0.898 57.173 58.200 -0.215 0.000 0.855 450 S CB 1.892 64.967 63.200 -0.209 0.000 1.136 450 S HN 0.067 nan 8.310 nan 0.000 0.484 451 V N -1.818 117.963 119.914 -0.221 0.000 2.789 451 V HA 0.977 5.097 4.120 0.000 0.000 0.311 451 V C -0.055 175.971 176.094 -0.113 0.000 1.073 451 V CA -0.852 61.373 62.300 -0.124 0.000 0.921 451 V CB 0.901 32.667 31.823 -0.094 0.000 1.009 451 V HN 1.493 nan 8.190 nan 0.000 0.426 452 A N 3.513 126.265 122.820 -0.114 0.000 2.304 452 A HA 0.867 5.187 4.320 0.000 0.000 0.301 452 A C -0.339 177.176 177.584 -0.116 0.000 1.132 452 A CA -0.578 51.316 52.037 -0.238 0.000 0.819 452 A CB 1.211 19.833 19.000 -0.630 0.000 1.094 452 A HN 1.600 nan 8.150 nan 0.000 0.492 453 V N 2.227 122.020 119.914 -0.201 0.000 2.525 453 V HA 0.464 4.584 4.120 0.000 0.000 0.299 453 V C -1.045 174.923 176.094 -0.210 0.000 1.034 453 V CA -0.344 61.817 62.300 -0.231 0.000 0.863 453 V CB 0.870 32.488 31.823 -0.343 0.000 0.999 453 V HN 0.717 nan 8.190 nan 0.000 0.423 454 F N 1.676 121.600 119.950 -0.043 0.000 2.440 454 F HA 0.550 5.077 4.527 0.000 0.000 0.328 454 F C 0.447 176.260 175.800 0.021 0.000 1.070 454 F CA -0.806 57.206 58.000 0.021 0.000 1.011 454 F CB 1.082 40.088 39.000 0.011 0.000 1.226 454 F HN 0.442 nan 8.300 nan 0.000 0.491 455 D N 1.946 122.464 120.400 0.196 0.000 2.412 455 D HA 0.241 4.881 4.640 0.000 0.000 0.224 455 D C 0.860 177.157 176.300 -0.005 0.000 1.093 455 D CA -0.039 54.010 54.000 0.081 0.000 0.850 455 D CB 0.712 41.547 40.800 0.059 0.000 1.046 455 D HN 0.478 nan 8.370 nan 0.000 0.507 456 L N 2.912 124.068 121.223 -0.111 0.000 2.261 456 L HA -0.132 4.208 4.340 0.000 0.000 0.216 456 L C 1.864 178.655 176.870 -0.132 0.000 1.114 456 L CA 0.964 55.681 54.840 -0.204 0.000 0.777 456 L CB -0.128 41.746 42.059 -0.308 0.000 0.910 456 L HN 0.321 nan 8.230 nan 0.000 0.440 457 K N -0.506 119.836 120.400 -0.097 0.000 2.426 457 K HA 0.025 4.345 4.320 0.000 0.000 0.193 457 K C 0.307 176.881 176.600 -0.043 0.000 1.028 457 K CA 0.111 56.357 56.287 -0.069 0.000 1.047 457 K CB 0.164 32.626 32.500 -0.063 0.000 0.821 457 K HN 0.055 nan 8.250 nan 0.000 0.513 458 N N 0.746 119.432 118.700 -0.024 0.000 2.732 458 N HA 0.125 4.865 4.740 0.000 0.000 0.235 458 N C -0.060 175.474 175.510 0.039 0.000 1.466 458 N CA -0.061 52.991 53.050 0.003 0.000 0.751 458 N CB 0.261 38.753 38.487 0.009 0.000 1.317 458 N HN -0.053 nan 8.380 nan 0.000 0.525 459 L N -0.312 120.933 121.223 0.038 0.000 2.549 459 L HA -0.012 4.328 4.340 0.000 0.000 0.229 459 L C 0.841 177.798 176.870 0.145 0.000 1.158 459 L CA 0.769 55.672 54.840 0.105 0.000 0.842 459 L CB 0.139 42.253 42.059 0.092 0.000 0.952 459 L HN 0.286 nan 8.230 nan 0.000 0.452 460 D N 0.239 120.699 120.400 0.100 0.000 2.289 460 D HA 0.064 4.704 4.640 0.000 0.000 0.207 460 D C 1.126 177.473 176.300 0.079 0.000 0.966 460 D CA 0.404 54.460 54.000 0.093 0.000 0.868 460 D CB 0.212 41.050 40.800 0.063 0.000 0.943 460 D HN 0.232 nan 8.370 nan 0.000 0.514 461 A N 1.046 123.904 122.820 0.064 0.000 2.407 461 A HA 0.165 4.485 4.320 0.000 0.000 0.248 461 A C 0.653 178.245 177.584 0.013 0.000 1.082 461 A CA -0.263 51.786 52.037 0.021 0.000 0.785 461 A CB 0.624 19.627 19.000 0.005 0.000 1.020 461 A HN -0.040 nan 8.150 nan 0.000 0.489 462 K N 0.521 120.868 120.400 -0.088 0.000 2.219 462 K HA 0.277 4.597 4.320 0.000 0.000 0.258 462 K C -0.323 176.072 176.600 -0.341 0.000 1.008 462 K CA -0.220 55.925 56.287 -0.237 0.000 0.928 462 K CB 0.179 32.452 32.500 -0.378 0.000 0.983 462 K HN 0.675 nan 8.250 nan 0.000 0.484 463 Y N -0.120 119.932 120.300 -0.413 0.000 2.296 463 Y HA 0.152 4.703 4.550 0.000 0.000 0.343 463 Y C -0.177 175.519 175.900 -0.341 0.000 1.292 463 Y CA -0.669 57.055 58.100 -0.627 0.000 1.490 463 Y CB 0.257 38.060 38.460 -1.095 0.000 1.359 463 Y HN 0.404 nan 8.280 nan 0.000 0.599 464 Q N 0.845 120.601 119.800 -0.074 0.000 2.312 464 Q HA 0.554 4.894 4.340 0.000 0.000 0.263 464 Q C -1.406 174.601 176.000 0.012 0.000 0.995 464 Q CA -1.134 54.634 55.803 -0.058 0.000 0.853 464 Q CB 2.548 31.241 28.738 -0.075 0.000 1.300 464 Q HN 0.632 nan 8.270 nan 0.000 0.448 465 V N 4.032 123.947 119.914 0.002 0.000 2.385 465 V HA 0.165 4.285 4.120 0.000 0.000 0.269 465 V C -0.511 175.476 176.094 -0.178 0.000 1.043 465 V CA -0.515 61.754 62.300 -0.051 0.000 0.906 465 V CB 0.730 32.538 31.823 -0.025 0.000 0.995 465 V HN 0.547 nan 8.190 nan 0.000 0.467 466 L N 9.202 130.277 121.223 -0.247 0.000 2.257 466 L HA 0.439 4.780 4.340 0.000 0.000 0.290 466 L C -1.868 174.624 176.870 -0.629 0.000 1.044 466 L CA -1.945 52.623 54.840 -0.454 0.000 0.810 466 L CB 1.452 43.319 42.059 -0.320 0.000 1.193 466 L HN 0.428 nan 8.230 nan 0.000 0.425 467 P HA 0.103 nan 4.420 nan 0.000 0.238 467 P C 0.759 177.548 177.300 -0.852 0.000 1.794 467 P CA -0.260 62.377 63.100 -0.771 0.000 1.088 467 P CB 0.402 31.659 31.700 -0.739 0.000 1.923 468 I N 2.539 122.783 120.570 -0.543 0.000 2.133 468 I HA -0.185 3.985 4.170 0.000 0.000 0.238 468 I C 2.455 178.497 176.117 -0.125 0.000 1.074 468 I CA 1.441 62.564 61.300 -0.295 0.000 1.342 468 I CB -2.125 35.659 38.000 -0.360 0.000 1.053 468 I HN 0.179 nan 8.210 nan 0.000 0.404 469 A N 0.242 122.979 122.820 -0.139 0.000 1.978 469 A HA -0.240 4.080 4.320 0.000 0.000 0.220 469 A C 2.368 179.919 177.584 -0.056 0.000 1.170 469 A CA 1.836 53.831 52.037 -0.071 0.000 0.636 469 A CB -0.720 18.233 19.000 -0.079 0.000 0.810 469 A HN 0.572 nan 8.150 nan 0.000 0.448 470 E N -1.396 118.734 120.200 -0.117 0.000 2.107 470 E HA -0.178 4.172 4.350 0.000 0.000 0.191 470 E C 1.584 178.216 176.600 0.054 0.000 0.982 470 E CA 0.844 57.195 56.400 -0.081 0.000 0.809 470 E CB -0.168 29.428 29.700 -0.173 0.000 0.756 470 E HN 0.773 nan 8.360 nan 0.000 0.459 471 W N 0.523 121.776 121.300 -0.078 0.000 2.465 471 W HA 0.074 4.734 4.660 0.000 0.000 0.268 471 W C 2.213 178.689 176.519 -0.072 0.000 1.242 471 W CA 0.883 58.181 57.345 -0.078 0.000 1.248 471 W CB -0.682 28.721 29.460 -0.096 0.000 1.118 471 W HN 0.199 nan 8.180 nan 0.000 0.587 472 A N -0.076 122.836 122.820 0.153 0.000 1.969 472 A HA -0.159 4.162 4.320 0.000 0.000 0.218 472 A C 0.859 178.469 177.584 0.042 0.000 1.169 472 A CA 1.493 53.571 52.037 0.069 0.000 0.635 472 A CB -0.637 18.389 19.000 0.042 0.000 0.810 472 A HN 0.162 nan 8.150 nan 0.000 0.445 473 D N -1.990 118.436 120.400 0.044 0.000 2.828 473 D HA -0.132 4.508 4.640 0.000 0.000 0.241 473 D C 0.279 176.586 176.300 0.013 0.000 1.142 473 D CA 0.782 54.797 54.000 0.025 0.000 0.755 473 D CB -1.464 39.349 40.800 0.023 0.000 1.014 473 D HN 0.429 nan 8.370 nan 0.000 0.420 474 L N -0.272 120.957 121.223 0.009 0.000 2.470 474 L HA 0.441 4.781 4.340 0.000 0.000 0.219 474 L C 1.977 178.847 176.870 0.001 0.000 1.071 474 L CA 0.491 55.334 54.840 0.006 0.000 0.850 474 L CB -0.031 42.034 42.059 0.009 0.000 1.040 474 L HN 0.553 nan 8.230 nan 0.000 0.475 475 G N 1.048 109.846 108.800 -0.004 0.000 2.445 475 G HA2 -0.185 3.775 3.960 0.000 0.000 0.212 475 G HA3 -0.185 3.775 3.960 0.000 0.000 0.212 475 G C -0.456 174.436 174.900 -0.012 0.000 1.217 475 G CA -0.118 44.978 45.100 -0.007 0.000 1.002 475 G HN 0.326 nan 8.290 nan 0.000 0.574 476 E N 0.530 120.722 120.200 -0.012 0.000 2.392 476 E HA 0.527 4.877 4.350 0.000 0.000 0.256 476 E C 0.473 177.060 176.600 -0.021 0.000 1.145 476 E CA 0.019 56.409 56.400 -0.018 0.000 0.929 476 E CB 1.273 30.964 29.700 -0.015 0.000 0.998 476 E HN 2.527 nan 8.360 nan 0.000 0.442 477 G N -0.303 108.478 108.800 -0.032 0.000 2.459 477 G HA2 0.121 4.081 3.960 0.000 0.000 0.685 477 G HA3 0.121 4.081 3.960 0.000 0.000 0.685 477 G C 0.318 175.180 174.900 -0.064 0.000 1.303 477 G CA -0.115 44.959 45.100 -0.044 0.000 0.907 477 G HN 0.765 nan 8.290 nan 0.000 0.632 478 A N 0.409 123.174 122.820 -0.092 0.000 1.940 478 A HA 0.155 4.475 4.320 0.000 0.000 0.219 478 A C 1.656 179.170 177.584 -0.117 0.000 1.176 478 A CA 2.485 54.449 52.037 -0.121 0.000 0.631 478 A CB -0.657 18.234 19.000 -0.182 0.000 0.814 478 A HN 1.825 nan 8.150 nan 0.000 0.446 479 K N -0.863 119.476 120.400 -0.102 0.000 3.148 479 K HA -0.178 4.142 4.320 0.000 0.000 0.267 479 K C -0.697 175.860 176.600 -0.071 0.000 0.996 479 K CA 0.589 56.839 56.287 -0.062 0.000 0.737 479 K CB -1.187 31.285 32.500 -0.046 0.000 1.308 479 K HN 0.623 nan 8.250 nan 0.000 0.470 480 R N 0.633 121.063 120.500 -0.116 0.000 2.370 480 R HA 0.138 4.478 4.340 0.000 0.000 0.309 480 R C 0.364 176.676 176.300 0.020 0.000 1.059 480 R CA -0.316 55.713 56.100 -0.118 0.000 0.981 480 R CB 0.704 30.831 30.300 -0.288 0.000 0.972 480 R HN -0.027 nan 8.270 nan 0.000 0.437 481 V N 4.610 124.522 119.914 -0.003 0.000 2.583 481 V HA 0.295 4.415 4.120 0.000 0.000 0.287 481 V C 0.152 176.315 176.094 0.116 0.000 1.051 481 V CA -0.172 62.162 62.300 0.057 0.000 1.010 481 V CB 1.475 33.289 31.823 -0.016 0.000 0.988 481 V HN 0.496 nan 8.190 nan 0.000 0.478 482 V N 4.922 124.947 119.914 0.184 0.000 3.120 482 V HA 0.502 4.622 4.120 0.000 0.000 0.303 482 V C -0.459 175.724 176.094 0.149 0.000 1.238 482 V CA -0.484 61.946 62.300 0.215 0.000 1.008 482 V CB 1.906 33.867 31.823 0.231 0.000 1.064 482 V HN 1.069 nan 8.190 nan 0.000 0.434 483 Q N 4.307 124.190 119.800 0.138 0.000 2.527 483 Q HA -0.111 4.230 4.340 0.000 0.000 0.239 483 Q C -2.479 173.411 176.000 -0.182 0.000 1.336 483 Q CA 0.377 56.025 55.803 -0.259 0.000 0.764 483 Q CB -0.072 28.160 28.738 -0.844 0.000 0.859 483 Q HN 0.593 nan 8.270 nan 0.000 0.306 484 P HA 0.124 nan 4.420 nan 0.000 0.275 484 P C -0.792 176.312 177.300 -0.327 0.000 1.227 484 P CA 0.357 63.200 63.100 -0.429 0.000 0.781 484 P CB 1.152 32.763 31.700 -0.148 0.000 0.906 485 E N 2.299 122.255 120.200 -0.407 0.000 2.287 485 E HA 0.327 4.677 4.350 0.000 0.000 0.274 485 E C -1.390 175.205 176.600 -0.008 0.000 0.896 485 E CA -0.610 55.726 56.400 -0.107 0.000 0.788 485 E CB 0.603 30.241 29.700 -0.103 0.000 1.244 485 E HN 0.188 nan 8.360 nan 0.000 0.408 486 Y N 2.390 122.716 120.300 0.044 0.000 2.281 486 Y HA 0.247 4.797 4.550 0.000 0.000 0.337 486 Y C 1.301 177.278 175.900 0.128 0.000 1.304 486 Y CA 0.027 58.192 58.100 0.108 0.000 1.465 486 Y CB 0.560 39.097 38.460 0.128 0.000 1.350 486 Y HN 0.635 nan 8.280 nan 0.000 0.575 487 N N 0.344 119.252 118.700 0.346 0.000 2.491 487 N HA 0.127 4.867 4.740 0.000 0.000 0.279 487 N C 0.730 176.316 175.510 0.127 0.000 1.236 487 N CA -0.643 52.544 53.050 0.228 0.000 0.982 487 N CB 0.705 39.413 38.487 0.368 0.000 1.194 487 N HN 0.629 nan 8.380 nan 0.000 0.582 488 K N 0.348 120.780 120.400 0.053 0.000 2.059 488 K HA -0.205 4.115 4.320 0.000 0.000 0.212 488 K C 1.531 178.165 176.600 0.055 0.000 1.050 488 K CA 1.864 58.181 56.287 0.050 0.000 0.927 488 K CB -0.088 32.374 32.500 -0.062 0.000 0.714 488 K HN 0.736 nan 8.250 nan 0.000 0.447 489 R N -0.928 119.583 120.500 0.019 0.000 2.310 489 R HA 0.113 4.453 4.340 0.000 0.000 0.202 489 R C 1.040 177.275 176.300 -0.110 0.000 0.933 489 R CA 0.671 56.768 56.100 -0.005 0.000 1.054 489 R CB -0.074 30.229 30.300 0.005 0.000 0.985 489 R HN 0.297 nan 8.270 nan 0.000 0.489 490 G N 2.783 111.463 108.800 -0.201 0.000 2.249 490 G HA2 -0.293 3.667 3.960 0.000 0.000 0.273 490 G HA3 -0.293 3.667 3.960 0.000 0.000 0.273 490 G C -0.017 174.920 174.900 0.062 0.000 1.036 490 G CA 0.666 45.543 45.100 -0.371 0.000 0.824 490 G HN 0.706 nan 8.290 nan 0.000 0.504 491 D N -0.417 120.052 120.400 0.114 0.000 2.369 491 D HA 0.191 4.831 4.640 0.000 0.000 0.211 491 D C 0.800 177.183 176.300 0.138 0.000 1.077 491 D CA 0.727 54.809 54.000 0.136 0.000 0.842 491 D CB 0.170 41.025 40.800 0.092 0.000 0.947 491 D HN 0.837 nan 8.370 nan 0.000 0.509 492 E N -0.457 119.829 120.200 0.144 0.000 2.343 492 E HA 0.536 4.886 4.350 0.000 0.000 0.278 492 E C -1.474 175.116 176.600 -0.017 0.000 0.910 492 E CA -1.180 55.262 56.400 0.070 0.000 0.757 492 E CB 2.252 32.016 29.700 0.106 0.000 1.218 492 E HN -0.153 nan 8.360 nan 0.000 0.435 493 V N 1.875 121.646 119.914 -0.239 0.000 2.495 493 V HA 0.415 4.535 4.120 0.000 0.000 0.298 493 V C -1.057 174.785 176.094 -0.421 0.000 1.031 493 V CA -0.733 61.234 62.300 -0.555 0.000 0.871 493 V CB 0.702 31.808 31.823 -1.196 0.000 0.988 493 V HN 0.646 nan 8.190 nan 0.000 0.432 494 W N 3.667 124.528 121.300 -0.732 0.000 2.512 494 W HA 0.815 5.476 4.660 0.001 0.000 0.335 494 W C -0.667 175.332 176.519 -0.867 0.000 1.088 494 W CA -0.941 56.045 57.345 -0.597 0.000 1.236 494 W CB 0.987 30.154 29.460 -0.488 0.000 1.307 494 W HN 0.345 nan 8.180 nan 0.000 0.567 495 F N 0.676 120.634 119.950 0.014 0.000 2.588 495 F HA 0.505 5.032 4.527 0.000 0.000 0.310 495 F C 0.163 175.959 175.800 -0.007 0.000 1.082 495 F CA -1.207 56.784 58.000 -0.015 0.000 0.929 495 F CB 1.701 40.685 39.000 -0.025 0.000 1.254 495 F HN -0.038 nan 8.300 nan 0.000 0.455 496 S N 1.244 117.044 115.700 0.167 0.000 2.462 496 S HA 0.536 5.006 4.470 0.000 0.000 0.294 496 S C -0.586 174.098 174.600 0.139 0.000 1.144 496 S CA -0.711 57.550 58.200 0.101 0.000 1.088 496 S CB 1.501 64.709 63.200 0.013 0.000 1.009 496 S HN 0.347 nan 8.310 nan 0.000 0.484 497 V N 4.428 124.415 119.914 0.122 0.000 2.247 497 V HA 0.147 4.267 4.120 0.000 0.000 0.262 497 V C -0.488 175.714 176.094 0.180 0.000 1.096 497 V CA -0.687 61.684 62.300 0.118 0.000 0.895 497 V CB -0.362 31.502 31.823 0.069 0.000 1.141 497 V HN 0.920 nan 8.190 nan 0.000 0.478 498 W N 5.942 127.230 121.300 -0.019 0.000 2.429 498 W HA 0.274 4.934 4.660 0.000 0.000 0.431 498 W C 0.109 176.615 176.519 -0.022 0.000 1.038 498 W CA -0.553 56.779 57.345 -0.021 0.000 1.635 498 W CB -0.423 29.017 29.460 -0.032 0.000 1.721 498 W HN 0.467 nan 8.180 nan 0.000 0.366 499 N N 2.321 121.142 118.700 0.202 0.000 2.502 499 N HA 0.590 5.330 4.740 0.000 0.000 0.280 499 N C 0.498 176.044 175.510 0.059 0.000 1.223 499 N CA -0.096 52.976 53.050 0.036 0.000 0.966 499 N CB 1.126 39.637 38.487 0.041 0.000 1.203 499 N HN 0.361 nan 8.380 nan 0.000 0.565 500 G N 0.147 108.946 108.800 -0.002 0.000 2.732 500 G HA2 -0.033 3.927 3.960 0.000 0.000 0.244 500 G HA3 -0.033 3.927 3.960 0.000 0.000 0.244 500 G C 0.832 175.783 174.900 0.086 0.000 1.226 500 G CA -0.040 45.079 45.100 0.031 0.000 0.860 500 G HN 0.723 nan 8.290 nan 0.000 0.583 501 K N -0.515 119.943 120.400 0.096 0.000 2.097 501 K HA -0.065 4.255 4.320 0.000 0.000 0.205 501 K C 1.818 178.462 176.600 0.074 0.000 1.050 501 K CA 1.704 58.052 56.287 0.102 0.000 0.938 501 K CB -0.123 32.444 32.500 0.112 0.000 0.718 501 K HN 0.569 nan 8.250 nan 0.000 0.442 502 N N 0.532 119.266 118.700 0.056 0.000 2.280 502 N HA 0.018 4.758 4.740 0.000 0.000 0.192 502 N C -0.574 174.956 175.510 0.034 0.000 1.109 502 N CA -0.171 52.904 53.050 0.043 0.000 0.855 502 N CB 0.453 38.962 38.487 0.036 0.000 0.974 502 N HN 0.161 nan 8.380 nan 0.000 0.482 503 D N -0.413 120.009 120.400 0.036 0.000 2.539 503 D HA 0.166 4.806 4.640 0.000 0.000 0.280 503 D C -0.267 176.054 176.300 0.035 0.000 1.208 503 D CA -0.161 53.855 54.000 0.027 0.000 1.088 503 D CB 0.905 41.715 40.800 0.017 0.000 1.149 503 D HN -0.184 nan 8.370 nan 0.000 0.596 504 S N -0.671 115.047 115.700 0.030 0.000 2.454 504 S HA 0.537 5.007 4.470 0.000 0.000 0.306 504 S C -0.643 173.981 174.600 0.040 0.000 1.100 504 S CA -0.417 57.803 58.200 0.032 0.000 1.087 504 S CB 0.548 63.761 63.200 0.022 0.000 1.019 504 S HN 0.319 nan 8.310 nan 0.000 0.480 505 S N 2.212 117.943 115.700 0.052 0.000 2.759 505 S HA 1.028 5.498 4.470 0.000 0.000 0.310 505 S C -0.549 174.079 174.600 0.047 0.000 1.123 505 S CA -0.498 57.741 58.200 0.064 0.000 0.959 505 S CB 1.648 64.907 63.200 0.098 0.000 1.172 505 S HN 1.176 nan 8.310 nan 0.000 0.539 506 A N 0.333 123.183 122.820 0.049 0.000 2.564 506 A HA 0.749 5.070 4.320 0.000 0.000 0.291 506 A C -2.271 175.334 177.584 0.034 0.000 1.102 506 A CA -0.686 51.368 52.037 0.029 0.000 0.660 506 A CB 0.705 19.713 19.000 0.014 0.000 1.283 506 A HN 0.616 nan 8.150 nan 0.000 0.430 507 L N 0.947 122.172 121.223 0.004 0.000 2.376 507 L HA 0.583 4.923 4.340 0.000 0.000 0.275 507 L C -1.027 175.788 176.870 -0.091 0.000 0.987 507 L CA -0.943 53.899 54.840 0.002 0.000 0.828 507 L CB 1.757 43.839 42.059 0.039 0.000 1.249 507 L HN 0.464 nan 8.230 nan 0.000 0.409 508 V N 4.024 123.921 119.914 -0.029 0.000 2.483 508 V HA 0.448 4.568 4.120 0.000 0.000 0.295 508 V C -0.016 175.985 176.094 -0.154 0.000 1.035 508 V CA -0.623 61.642 62.300 -0.058 0.000 0.896 508 V CB 2.265 34.142 31.823 0.090 0.000 0.986 508 V HN 0.423 nan 8.190 nan 0.000 0.447 509 V N 5.442 125.129 119.914 -0.377 0.000 2.448 509 V HA 0.516 4.637 4.120 0.000 0.000 0.295 509 V C -0.135 175.801 176.094 -0.264 0.000 1.025 509 V CA -0.586 61.374 62.300 -0.567 0.000 0.859 509 V CB 1.700 32.906 31.823 -1.028 0.000 0.988 509 V HN 0.588 nan 8.190 nan 0.000 0.431 510 V N 2.799 122.653 119.914 -0.099 0.000 2.630 510 V HA 0.396 4.516 4.120 0.000 0.000 0.305 510 V C -0.047 176.022 176.094 -0.042 0.000 1.046 510 V CA -0.630 61.661 62.300 -0.014 0.000 0.934 510 V CB 2.121 34.076 31.823 0.220 0.000 1.003 510 V HN 0.898 nan 8.190 nan 0.000 0.451 511 D N 2.276 122.654 120.400 -0.036 0.000 2.336 511 D HA 0.046 4.686 4.640 0.000 0.000 0.249 511 D C 0.704 177.049 176.300 0.074 0.000 1.213 511 D CA 0.064 54.064 54.000 0.000 0.000 0.870 511 D CB 1.395 42.182 40.800 -0.022 0.000 1.076 511 D HN 0.726 nan 8.370 nan 0.000 0.483 512 D N 3.104 123.575 120.400 0.118 0.000 2.178 512 D HA -0.189 4.451 4.640 0.000 0.000 0.201 512 D C 1.648 178.120 176.300 0.288 0.000 0.980 512 D CA 1.021 55.165 54.000 0.241 0.000 0.842 512 D CB 0.337 41.330 40.800 0.321 0.000 0.948 512 D HN 0.231 nan 8.370 nan 0.000 0.472 513 K N -0.453 120.069 120.400 0.203 0.000 2.148 513 K HA -0.067 4.253 4.320 0.000 0.000 0.204 513 K C 1.610 178.313 176.600 0.171 0.000 1.050 513 K CA 1.713 58.114 56.287 0.190 0.000 0.942 513 K CB -0.198 32.373 32.500 0.119 0.000 0.724 513 K HN 0.401 nan 8.250 nan 0.000 0.446 514 T N -2.547 112.075 114.554 0.113 0.000 2.975 514 T HA 0.221 4.571 4.350 0.000 0.000 0.257 514 T C 1.001 175.735 174.700 0.057 0.000 1.003 514 T CA -0.061 62.085 62.100 0.076 0.000 0.932 514 T CB 0.035 68.923 68.868 0.033 0.000 1.087 514 T HN 0.250 nan 8.240 nan 0.000 0.512 515 L N -0.271 120.982 121.223 0.050 0.000 4.040 515 L HA -0.177 4.163 4.340 0.000 0.000 0.410 515 L C -0.071 176.861 176.870 0.103 0.000 1.187 515 L CA 0.585 55.458 54.840 0.055 0.000 0.956 515 L CB -1.687 40.365 42.059 -0.011 0.000 2.022 515 L HN 0.371 nan 8.230 nan 0.000 0.897 516 K N 0.261 120.662 120.400 0.001 0.000 2.156 516 K HA 0.586 4.906 4.320 0.000 0.000 0.250 516 K C -0.187 176.195 176.600 -0.363 0.000 0.955 516 K CA -1.111 55.086 56.287 -0.149 0.000 0.855 516 K CB 2.211 34.633 32.500 -0.130 0.000 1.101 516 K HN -0.007 nan 8.250 nan 0.000 0.434 517 L N 2.605 123.339 121.223 -0.814 0.000 2.499 517 L HA -0.001 4.339 4.340 0.000 0.000 0.273 517 L C 0.842 177.441 176.870 -0.451 0.000 1.195 517 L CA 1.176 55.501 54.840 -0.859 0.000 0.882 517 L CB 0.406 41.691 42.059 -1.290 0.000 1.133 517 L HN 0.733 nan 8.230 nan 0.000 0.483 518 K N 3.427 123.623 120.400 -0.341 0.000 2.424 518 K HA 0.571 4.891 4.320 0.000 0.000 0.198 518 K C -0.222 176.227 176.600 -0.252 0.000 1.190 518 K CA 0.467 56.603 56.287 -0.253 0.000 0.935 518 K CB 0.580 32.958 32.500 -0.203 0.000 1.087 518 K HN 0.772 nan 8.250 nan 0.000 0.524 519 A N -0.013 122.629 122.820 -0.296 0.000 2.586 519 A HA 0.542 4.863 4.320 0.000 0.000 0.291 519 A C -1.825 175.591 177.584 -0.279 0.000 1.062 519 A CA -0.665 51.206 52.037 -0.277 0.000 0.666 519 A CB 1.803 20.619 19.000 -0.307 0.000 1.281 519 A HN -0.095 nan 8.150 nan 0.000 0.421 520 V N 1.040 120.823 119.914 -0.218 0.000 2.532 520 V HA 0.414 4.534 4.120 0.000 0.000 0.294 520 V C -0.588 175.422 176.094 -0.140 0.000 1.036 520 V CA -0.569 61.631 62.300 -0.167 0.000 0.876 520 V CB 1.480 33.243 31.823 -0.101 0.000 1.012 520 V HN 0.827 nan 8.190 nan 0.000 0.432 521 V N 5.451 125.276 119.914 -0.150 0.000 2.432 521 V HA 0.471 4.591 4.120 0.000 0.000 0.271 521 V C 0.167 176.240 176.094 -0.035 0.000 1.046 521 V CA -0.322 61.926 62.300 -0.087 0.000 0.945 521 V CB 0.945 32.728 31.823 -0.067 0.000 0.992 521 V HN 0.823 nan 8.190 nan 0.000 0.471 522 K N 3.562 123.950 120.400 -0.020 0.000 2.426 522 K HA 0.679 4.999 4.320 0.000 0.000 0.251 522 K C -1.399 175.205 176.600 0.007 0.000 0.941 522 K CA -0.855 55.430 56.287 -0.003 0.000 0.808 522 K CB 2.646 35.142 32.500 -0.006 0.000 1.265 522 K HN 0.710 nan 8.250 nan 0.000 0.432 523 D N 1.850 122.259 120.400 0.016 0.000 2.747 523 D HA 0.065 4.705 4.640 0.000 0.000 0.218 523 D C -2.191 174.124 176.300 0.024 0.000 1.230 523 D CA -1.175 52.837 54.000 0.020 0.000 0.774 523 D CB 2.029 42.844 40.800 0.025 0.000 1.667 523 D HN 0.191 nan 8.370 nan 0.000 0.499 524 P HA -0.092 nan 4.420 nan 0.000 0.221 524 P C 0.993 178.312 177.300 0.032 0.000 1.145 524 P CA 0.720 63.836 63.100 0.027 0.000 0.795 524 P CB 0.464 32.178 31.700 0.024 0.000 0.775 525 R N -0.925 119.594 120.500 0.032 0.000 2.193 525 R HA 0.072 4.412 4.340 0.000 0.000 0.213 525 R C 1.022 177.344 176.300 0.037 0.000 1.055 525 R CA -0.088 56.033 56.100 0.035 0.000 0.995 525 R CB -0.578 29.743 30.300 0.034 0.000 0.893 525 R HN 0.127 nan 8.270 nan 0.000 0.459 526 L N 2.366 123.611 121.223 0.036 0.000 2.451 526 L HA 0.141 4.481 4.340 0.000 0.000 0.272 526 L C -0.621 176.277 176.870 0.046 0.000 1.258 526 L CA 0.689 55.551 54.840 0.037 0.000 1.132 526 L CB -0.121 41.959 42.059 0.036 0.000 1.361 526 L HN 0.031 nan 8.230 nan 0.000 0.438 527 I N 3.644 124.242 120.570 0.047 0.000 2.354 527 I HA 0.203 4.373 4.170 0.000 0.000 0.292 527 I C 0.603 176.762 176.117 0.070 0.000 0.989 527 I CA -0.604 60.735 61.300 0.065 0.000 1.188 527 I CB 1.333 39.371 38.000 0.064 0.000 1.342 527 I HN 0.649 nan 8.210 nan 0.000 0.457 528 T N 3.718 118.349 114.554 0.129 0.000 3.549 528 T HA -0.092 4.258 4.350 0.000 0.000 0.398 528 T C -2.260 172.432 174.700 -0.012 0.000 0.766 528 T CA -0.727 61.490 62.100 0.196 0.000 2.007 528 T CB -1.941 67.074 68.868 0.245 0.000 1.727 528 T HN 0.415 nan 8.240 nan 0.000 0.693 529 P HA 0.223 nan 4.420 nan 0.000 0.271 529 P C 1.002 178.137 177.300 -0.274 0.000 1.226 529 P CA 0.045 63.083 63.100 -0.103 0.000 0.765 529 P CB 1.492 33.183 31.700 -0.015 0.000 0.835 530 T N 1.128 115.458 114.554 -0.374 0.000 2.709 530 T HA 0.365 4.715 4.350 0.000 0.000 0.174 530 T C 1.045 175.534 174.700 -0.352 0.000 0.774 530 T CA 0.082 61.874 62.100 -0.513 0.000 1.309 530 T CB -0.851 67.567 68.868 -0.751 0.000 2.586 530 T HN 0.329 nan 8.240 nan 0.000 0.401 531 G N 1.574 110.170 108.800 -0.340 0.000 2.491 531 G HA2 0.507 4.467 3.960 0.000 0.000 0.242 531 G HA3 0.507 4.467 3.960 0.000 0.000 0.242 531 G C -1.039 173.583 174.900 -0.464 0.000 1.266 531 G CA -0.495 44.342 45.100 -0.439 0.000 0.844 531 G HN 0.655 nan 8.290 nan 0.000 0.571 532 K N 0.465 120.390 120.400 -0.792 0.000 2.507 532 K HA 0.411 4.731 4.320 0.000 0.000 0.251 532 K C -1.672 174.452 176.600 -0.793 0.000 0.943 532 K CA -0.445 55.558 56.287 -0.473 0.000 0.794 532 K CB 2.279 34.657 32.500 -0.203 0.000 1.188 532 K HN 0.369 nan 8.250 nan 0.000 0.428 533 F N 1.625 121.561 119.950 -0.023 0.000 2.553 533 F HA 0.263 4.790 4.527 0.001 0.000 0.335 533 F C 0.370 176.025 175.800 -0.240 0.000 1.148 533 F CA -0.979 56.966 58.000 -0.091 0.000 0.963 533 F CB 1.328 40.289 39.000 -0.065 0.000 1.217 533 F HN 0.437 nan 8.300 nan 0.000 0.441 534 N N 2.489 120.986 118.700 -0.339 0.000 2.468 534 N HA 0.035 4.776 4.740 0.000 0.000 0.265 534 N C 1.082 176.451 175.510 -0.234 0.000 1.199 534 N CA 0.084 52.688 53.050 -0.743 0.000 0.928 534 N CB 1.427 39.388 38.487 -0.877 0.000 1.059 534 N HN 0.489 nan 8.380 nan 0.000 0.467 535 V N 4.766 124.570 119.914 -0.184 0.000 2.250 535 V HA -0.293 3.828 4.120 0.000 0.000 0.250 535 V C 1.793 177.935 176.094 0.079 0.000 1.060 535 V CA 1.867 64.157 62.300 -0.017 0.000 1.030 535 V CB -1.056 30.773 31.823 0.010 0.000 0.643 535 V HN 0.750 nan 8.190 nan 0.000 0.445 536 Y N 1.722 122.020 120.300 -0.003 0.000 2.133 536 Y HA -0.213 4.337 4.550 0.000 0.000 0.287 536 Y C 2.562 178.572 175.900 0.184 0.000 1.134 536 Y CA 2.101 60.279 58.100 0.131 0.000 1.133 536 Y CB -0.412 38.094 38.460 0.077 0.000 0.987 536 Y HN 0.303 nan 8.280 nan 0.000 0.502 537 N N -0.681 118.121 118.700 0.169 0.000 2.205 537 N HA -0.152 4.588 4.740 0.000 0.000 0.186 537 N C 1.714 177.301 175.510 0.129 0.000 1.015 537 N CA 1.892 55.022 53.050 0.134 0.000 0.862 537 N CB -0.746 37.860 38.487 0.198 0.000 0.986 537 N HN 0.400 nan 8.380 nan 0.000 0.429 538 T N 0.826 115.450 114.554 0.117 0.000 2.770 538 T HA -0.124 4.226 4.350 0.000 0.000 0.263 538 T C 1.854 176.590 174.700 0.061 0.000 1.039 538 T CA 0.892 63.077 62.100 0.141 0.000 1.142 538 T CB -0.151 68.784 68.868 0.113 0.000 0.868 538 T HN 0.318 nan 8.240 nan 0.000 0.435 539 Q N 0.284 120.066 119.800 -0.030 0.000 2.096 539 Q HA -0.174 4.166 4.340 0.000 0.000 0.204 539 Q C 1.327 177.148 176.000 -0.299 0.000 0.982 539 Q CA 1.391 57.092 55.803 -0.170 0.000 0.850 539 Q CB -0.050 28.544 28.738 -0.240 0.000 0.901 539 Q HN 0.638 nan 8.270 nan 0.000 0.422 540 H N 0.075 119.054 119.070 -0.151 0.000 2.505 540 H HA 0.104 4.660 4.556 0.000 0.000 0.289 540 H C -0.577 174.744 175.328 -0.013 0.000 1.052 540 H CA 0.370 56.329 56.048 -0.149 0.000 1.156 540 H CB 0.280 29.770 29.762 -0.454 0.000 1.507 540 H HN 0.395 nan 8.280 nan 0.000 0.548 541 D N 0.701 121.161 120.400 0.100 0.000 2.704 541 D HA -0.153 4.487 4.640 0.000 0.000 0.232 541 D C -0.507 175.637 176.300 -0.259 0.000 1.183 541 D CA 0.243 54.263 54.000 0.033 0.000 0.647 541 D CB -1.005 39.773 40.800 -0.036 0.000 1.013 541 D HN 0.110 nan 8.370 nan 0.000 0.415 542 V N 1.623 121.495 119.914 -0.070 0.000 2.338 542 V HA 0.407 4.527 4.120 0.000 0.000 0.255 542 V C 0.075 176.166 176.094 -0.005 0.000 1.082 542 V CA 0.041 62.270 62.300 -0.119 0.000 0.951 542 V CB -0.827 30.946 31.823 -0.083 0.000 1.102 542 V HN 0.343 nan 8.190 nan 0.000 0.489 543 Y N 0.000 120.394 120.300 0.156 0.000 2.660 543 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 543 Y CA 0.000 58.205 58.100 0.176 0.000 1.940 543 Y CB 0.000 38.599 38.460 0.232 0.000 1.050 543 Y HN 0.000 nan 8.280 nan 0.000 0.758