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 2yvf_1_A DATA FIRST_RESID 6 DATA SEQUENCE LKAPVVVLGA GLASVSFVAE LRQAGYQGLI TVVGDEAERP YDRPPLSKDF DATA SEQUENCE MAHGDAEKIR LDCKRAPEVE WLLGVTAQSF DPQAHTVALS DGRTLPYGTL DATA SEQUENCE VLATGAAPRA LPTLQGATMP VHTLRTLEDA RRIQAGLRPQ SRLLIVGGGV DATA SEQUENCE IGLELAATAR TAGVHVSLVE TQPRLMSRAA PATLADFVAR YHAAQGVDLR DATA SEQUENCE FERSVTGSVD GVVLLDDGTR IAADMVVVGI GVLANDALAR AAGLACDDGI DATA SEQUENCE FVDAYGRTTC PDVYALGDVT RQRNPLSGRF ERIETWSNAQ NQGIAVARHL DATA SEQUENCE VDPTAPGYAE LPWYWSDQGA LRIQVAGLAS GDEEIVRGEV SLDAPKFTLI DATA SEQUENCE ELQKGRIVGA TCVNNARDFA PLRRLLAVGA KPDRAALADP ATDLRKLAAA DATA SEQUENCE V VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 L HA 0.000 nan 4.340 nan 0.000 0.249 6 L C 0.000 176.848 176.870 -0.036 0.000 1.165 6 L CA 0.000 54.783 54.840 -0.094 0.000 0.813 6 L CB 0.000 41.948 42.059 -0.185 0.000 0.961 7 K N 3.156 123.559 120.400 0.005 0.000 2.235 7 K HA 0.891 5.210 4.320 -0.001 0.000 0.266 7 K C 0.065 176.704 176.600 0.065 0.000 0.980 7 K CA -0.281 56.033 56.287 0.046 0.000 0.849 7 K CB 1.909 34.447 32.500 0.062 0.000 1.098 7 K HN 0.592 nan 8.250 nan 0.000 0.445 8 A N 4.197 127.087 122.820 0.117 0.000 2.351 8 A HA 0.394 4.714 4.320 -0.001 0.000 0.257 8 A C -2.035 175.618 177.584 0.115 0.000 1.087 8 A CA -1.082 51.059 52.037 0.173 0.000 0.798 8 A CB -0.305 18.833 19.000 0.230 0.000 1.033 8 A HN 0.516 nan 8.150 nan 0.000 0.488 9 P HA 0.395 nan 4.420 nan 0.000 0.279 9 P C -0.886 176.504 177.300 0.148 0.000 1.252 9 P CA -0.339 62.854 63.100 0.155 0.000 0.811 9 P CB 0.978 32.745 31.700 0.111 0.000 1.035 10 V N 1.810 121.801 119.914 0.128 0.000 2.439 10 V HA 0.259 4.379 4.120 -0.001 0.000 0.282 10 V C 0.296 176.409 176.094 0.033 0.000 1.039 10 V CA -0.483 61.845 62.300 0.046 0.000 0.913 10 V CB 1.642 33.444 31.823 -0.034 0.000 0.983 10 V HN 0.260 nan 8.190 nan 0.000 0.460 11 V N 5.646 125.550 119.914 -0.016 0.000 2.487 11 V HA 0.514 4.633 4.120 -0.001 0.000 0.298 11 V C -0.372 175.632 176.094 -0.151 0.000 1.028 11 V CA -0.566 61.693 62.300 -0.069 0.000 0.860 11 V CB 2.116 33.911 31.823 -0.047 0.000 0.991 11 V HN 0.601 nan 8.190 nan 0.000 0.427 12 V N 6.054 125.888 119.914 -0.134 0.000 2.448 12 V HA 0.490 4.610 4.120 -0.001 0.000 0.295 12 V C -0.250 175.758 176.094 -0.143 0.000 1.025 12 V CA -0.598 61.601 62.300 -0.168 0.000 0.859 12 V CB 1.776 33.532 31.823 -0.110 0.000 0.988 12 V HN 0.633 nan 8.190 nan 0.000 0.431 13 L N 4.686 125.808 121.223 -0.170 0.000 2.264 13 L HA 0.843 5.182 4.340 -0.001 0.000 0.289 13 L C 0.708 177.525 176.870 -0.087 0.000 1.044 13 L CA -0.126 54.646 54.840 -0.112 0.000 0.807 13 L CB 0.997 42.983 42.059 -0.122 0.000 1.192 13 L HN 0.964 nan 8.230 nan 0.000 0.425 14 G N 2.637 111.414 108.800 -0.038 0.000 2.911 14 G HA2 0.148 4.108 3.960 -0.001 0.000 0.686 14 G HA3 0.148 4.108 3.960 -0.001 0.000 0.686 14 G C -0.415 174.501 174.900 0.025 0.000 1.136 14 G CA -0.295 44.791 45.100 -0.023 0.000 0.764 14 G HN 0.926 nan 8.290 nan 0.000 0.626 15 A N 1.202 124.053 122.820 0.051 0.000 2.674 15 A HA 0.809 5.128 4.320 -0.001 0.000 0.286 15 A C 1.211 178.805 177.584 0.018 0.000 0.980 15 A CA 1.123 53.246 52.037 0.142 0.000 1.028 15 A CB -0.086 19.058 19.000 0.240 0.000 1.199 15 A HN 2.211 nan 8.150 nan 0.000 0.499 16 G N -0.982 107.786 108.800 -0.054 0.000 2.508 16 G HA2 0.387 4.346 3.960 -0.001 0.000 0.278 16 G HA3 0.387 4.346 3.960 -0.001 0.000 0.278 16 G C 0.938 175.773 174.900 -0.108 0.000 1.389 16 G CA 0.035 45.050 45.100 -0.141 0.000 1.050 16 G HN 0.516 nan 8.290 nan 0.000 0.522 17 L N 0.243 121.371 121.223 -0.159 0.000 2.042 17 L HA -0.044 4.295 4.340 -0.001 0.000 0.210 17 L C 2.964 179.735 176.870 -0.166 0.000 1.076 17 L CA 2.878 57.609 54.840 -0.182 0.000 0.749 17 L CB -0.777 41.102 42.059 -0.300 0.000 0.893 17 L HN 0.522 nan 8.230 nan 0.000 0.432 18 A N -1.561 121.162 122.820 -0.162 0.000 1.902 18 A HA -0.219 4.101 4.320 -0.001 0.000 0.217 18 A C 2.515 180.075 177.584 -0.040 0.000 1.181 18 A CA 1.927 53.882 52.037 -0.137 0.000 0.623 18 A CB -1.193 17.711 19.000 -0.159 0.000 0.818 18 A HN 0.562 nan 8.150 nan 0.000 0.443 19 S N -0.534 115.155 115.700 -0.018 0.000 2.353 19 S HA -0.148 4.321 4.470 -0.001 0.000 0.222 19 S C 1.940 176.654 174.600 0.190 0.000 1.035 19 S CA 1.818 60.061 58.200 0.072 0.000 1.025 19 S CB -0.606 62.637 63.200 0.071 0.000 0.902 19 S HN 0.311 nan 8.310 nan 0.000 0.440 20 V N 1.631 121.658 119.914 0.188 0.000 2.332 20 V HA -0.151 3.969 4.120 -0.001 0.000 0.248 20 V C 2.713 178.894 176.094 0.145 0.000 1.055 20 V CA 2.261 64.711 62.300 0.249 0.000 1.038 20 V CB -1.128 30.776 31.823 0.135 0.000 0.651 20 V HN 0.514 nan 8.190 nan 0.000 0.450 21 S N -0.302 115.432 115.700 0.056 0.000 2.368 21 S HA -0.198 4.271 4.470 -0.001 0.000 0.225 21 S C 1.761 176.391 174.600 0.049 0.000 1.030 21 S CA 1.943 60.152 58.200 0.015 0.000 0.999 21 S CB -0.480 62.677 63.200 -0.071 0.000 0.844 21 S HN 0.625 nan 8.310 nan 0.000 0.459 22 F N 3.070 122.982 119.950 -0.064 0.000 2.075 22 F HA -0.151 4.375 4.527 -0.001 0.000 0.297 22 F C 2.288 178.053 175.800 -0.057 0.000 1.113 22 F CA 1.527 59.480 58.000 -0.078 0.000 1.218 22 F CB -0.628 38.308 39.000 -0.106 0.000 0.984 22 F HN 0.088 nan 8.300 nan 0.000 0.472 23 V N -0.398 119.487 119.914 -0.048 0.000 2.427 23 V HA -0.075 4.044 4.120 -0.001 0.000 0.248 23 V C 2.415 178.436 176.094 -0.123 0.000 1.051 23 V CA 1.515 63.715 62.300 -0.167 0.000 1.048 23 V CB -1.988 29.799 31.823 -0.061 0.000 0.666 23 V HN 0.394 nan 8.190 nan 0.000 0.456 24 A N 0.684 123.491 122.820 -0.022 0.000 1.902 24 A HA -0.218 4.102 4.320 -0.001 0.000 0.217 24 A C 2.209 179.755 177.584 -0.063 0.000 1.181 24 A CA 2.082 54.117 52.037 -0.004 0.000 0.623 24 A CB -0.675 18.349 19.000 0.040 0.000 0.818 24 A HN 0.670 nan 8.150 nan 0.000 0.443 25 E N 0.224 120.355 120.200 -0.115 0.000 2.106 25 E HA -0.103 4.247 4.350 -0.001 0.000 0.192 25 E C 1.816 178.303 176.600 -0.188 0.000 0.984 25 E CA 1.014 57.336 56.400 -0.130 0.000 0.806 25 E CB -0.424 29.206 29.700 -0.116 0.000 0.750 25 E HN 0.588 nan 8.360 nan 0.000 0.458 26 L N 0.145 121.167 121.223 -0.335 0.000 1.990 26 L HA -0.233 4.107 4.340 -0.001 0.000 0.213 26 L C 2.708 179.537 176.870 -0.068 0.000 1.072 26 L CA 1.524 56.197 54.840 -0.279 0.000 0.755 26 L CB -0.490 41.326 42.059 -0.404 0.000 0.889 26 L HN 0.150 nan 8.230 nan 0.000 0.432 27 R N -0.209 120.258 120.500 -0.054 0.000 2.081 27 R HA -0.141 4.199 4.340 -0.001 0.000 0.235 27 R C 2.204 178.490 176.300 -0.023 0.000 1.131 27 R CA 1.105 57.193 56.100 -0.020 0.000 0.960 27 R CB -0.608 29.681 30.300 -0.017 0.000 0.856 27 R HN 0.467 nan 8.270 nan 0.000 0.436 28 Q N 0.017 119.799 119.800 -0.030 0.000 2.167 28 Q HA 0.022 4.362 4.340 -0.001 0.000 0.202 28 Q C 1.913 177.902 176.000 -0.019 0.000 0.970 28 Q CA 1.436 57.228 55.803 -0.019 0.000 0.855 28 Q CB -0.264 28.466 28.738 -0.013 0.000 0.911 28 Q HN 0.302 nan 8.270 nan 0.000 0.438 29 A N -0.436 122.366 122.820 -0.030 0.000 2.119 29 A HA 0.258 4.577 4.320 -0.001 0.000 0.217 29 A C 1.511 179.088 177.584 -0.012 0.000 1.153 29 A CA 1.362 53.384 52.037 -0.025 0.000 0.692 29 A CB -0.107 18.866 19.000 -0.046 0.000 0.799 29 A HN 0.442 nan 8.150 nan 0.000 0.458 30 G N -2.941 105.856 108.800 -0.004 0.000 2.175 30 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.182 30 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.182 30 G C -0.006 174.903 174.900 0.016 0.000 1.003 30 G CA 0.025 45.123 45.100 -0.004 0.000 0.666 30 G HN 0.775 nan 8.290 nan 0.000 0.506 31 Y N 2.239 122.485 120.300 -0.091 0.000 2.436 31 Y HA 0.540 5.089 4.550 -0.001 0.000 0.336 31 Y C 1.030 176.880 175.900 -0.082 0.000 1.049 31 Y CA 0.104 58.148 58.100 -0.093 0.000 1.294 31 Y CB 0.930 39.315 38.460 -0.125 0.000 1.179 31 Y HN 0.131 nan 8.280 nan 0.000 0.520 32 Q N 4.870 124.267 119.800 -0.672 0.000 2.159 32 Q HA 0.249 4.589 4.340 -0.001 0.000 0.217 32 Q C 0.639 176.223 176.000 -0.693 0.000 0.818 32 Q CA 0.252 55.733 55.803 -0.536 0.000 1.008 32 Q CB 1.152 29.727 28.738 -0.272 0.000 1.148 32 Q HN 0.944 nan 8.270 nan 0.000 0.491 33 G N 0.503 108.484 108.800 -1.365 0.000 2.588 33 G HA2 0.408 4.368 3.960 -0.001 0.000 0.278 33 G HA3 0.408 4.368 3.960 -0.001 0.000 0.278 33 G C -0.033 174.642 174.900 -0.375 0.000 1.307 33 G CA -0.640 44.020 45.100 -0.734 0.000 1.016 33 G HN 0.152 nan 8.290 nan 0.000 0.503 34 L N -0.259 120.931 121.223 -0.054 0.000 2.490 34 L HA 0.234 4.574 4.340 -0.001 0.000 0.274 34 L C -0.092 176.854 176.870 0.126 0.000 1.201 34 L CA 0.499 55.349 54.840 0.017 0.000 0.869 34 L CB 0.385 42.462 42.059 0.030 0.000 1.123 34 L HN 0.226 nan 8.230 nan 0.000 0.484 35 I N 2.280 122.872 120.570 0.035 0.000 2.478 35 I HA 0.291 4.460 4.170 -0.001 0.000 0.287 35 I C -0.574 175.471 176.117 -0.121 0.000 1.042 35 I CA -0.250 61.047 61.300 -0.005 0.000 1.067 35 I CB 2.149 40.124 38.000 -0.042 0.000 1.233 35 I HN 0.503 nan 8.210 nan 0.000 0.431 36 T N 5.349 119.836 114.554 -0.112 0.000 2.824 36 T HA 0.556 4.905 4.350 -0.001 0.000 0.282 36 T C -0.460 174.131 174.700 -0.182 0.000 0.993 36 T CA -0.525 61.485 62.100 -0.149 0.000 0.967 36 T CB 2.231 71.064 68.868 -0.059 0.000 0.960 36 T HN 0.149 nan 8.240 nan 0.000 0.441 37 V N 3.577 123.337 119.914 -0.257 0.000 2.448 37 V HA 0.492 4.611 4.120 -0.001 0.000 0.295 37 V C -0.298 175.776 176.094 -0.034 0.000 1.025 37 V CA -0.789 61.394 62.300 -0.194 0.000 0.859 37 V CB 1.916 33.502 31.823 -0.396 0.000 0.988 37 V HN 0.729 nan 8.190 nan 0.000 0.431 38 V N 3.684 123.595 119.914 -0.004 0.000 2.370 38 V HA 0.782 4.902 4.120 -0.001 0.000 0.283 38 V C 0.640 176.769 176.094 0.058 0.000 1.023 38 V CA -0.237 62.083 62.300 0.034 0.000 0.857 38 V CB 1.513 33.343 31.823 0.012 0.000 0.985 38 V HN 0.979 nan 8.190 nan 0.000 0.443 39 G N 2.635 111.490 108.800 0.092 0.000 2.626 39 G HA2 0.470 4.430 3.960 -0.001 0.000 0.304 39 G HA3 0.470 4.430 3.960 -0.001 0.000 0.304 39 G C 0.348 175.288 174.900 0.067 0.000 1.385 39 G CA -0.341 44.812 45.100 0.087 0.000 0.957 39 G HN 0.730 nan 8.290 nan 0.000 0.504 40 D N 1.559 121.986 120.400 0.045 0.000 2.219 40 D HA -0.111 4.529 4.640 -0.001 0.000 0.205 40 D C 0.542 176.871 176.300 0.048 0.000 0.970 40 D CA 0.733 54.758 54.000 0.042 0.000 0.851 40 D CB 0.092 40.910 40.800 0.030 0.000 0.943 40 D HN 0.509 nan 8.370 nan 0.000 0.488 41 E N 0.075 120.309 120.200 0.057 0.000 2.338 41 E HA 0.390 4.739 4.350 -0.001 0.000 0.272 41 E C -0.390 176.254 176.600 0.073 0.000 1.029 41 E CA -0.293 56.151 56.400 0.073 0.000 0.872 41 E CB 1.142 30.912 29.700 0.118 0.000 1.015 41 E HN 0.235 nan 8.360 nan 0.000 0.417 42 A N 4.747 127.600 122.820 0.056 0.000 3.091 42 A HA 0.095 4.415 4.320 -0.001 0.000 0.264 42 A C -0.360 177.247 177.584 0.038 0.000 1.673 42 A CA -0.106 51.959 52.037 0.045 0.000 1.362 42 A CB -0.030 18.989 19.000 0.032 0.000 1.137 42 A HN 0.412 nan 8.150 nan 0.000 0.617 43 E N 0.441 120.678 120.200 0.062 0.000 2.308 43 E HA 0.195 4.544 4.350 -0.001 0.000 0.275 43 E C -0.682 175.954 176.600 0.060 0.000 0.890 43 E CA -0.790 55.645 56.400 0.058 0.000 0.754 43 E CB 1.728 31.498 29.700 0.117 0.000 1.207 43 E HN 0.620 nan 8.360 nan 0.000 0.426 44 R N 2.735 123.239 120.500 0.006 0.000 2.537 44 R HA 0.044 4.384 4.340 -0.001 0.000 0.281 44 R C -2.138 174.169 176.300 0.012 0.000 0.988 44 R CA -0.706 55.363 56.100 -0.051 0.000 1.077 44 R CB 0.018 30.279 30.300 -0.066 0.000 0.932 44 R HN 0.074 nan 8.270 nan 0.000 0.409 45 P HA -0.076 nan 4.420 nan 0.000 0.263 45 P C -1.515 175.790 177.300 0.008 0.000 1.175 45 P CA 0.747 63.779 63.100 -0.113 0.000 0.761 45 P CB 0.180 31.694 31.700 -0.311 0.000 0.794 46 Y N -0.358 119.894 120.300 -0.080 0.000 2.644 46 Y HA 0.709 5.259 4.550 -0.001 0.000 0.338 46 Y C -0.910 174.990 175.900 0.000 0.000 1.119 46 Y CA -1.603 56.467 58.100 -0.050 0.000 1.060 46 Y CB 0.956 39.367 38.460 -0.082 0.000 1.294 46 Y HN 0.090 nan 8.280 nan 0.000 0.472 47 D N 0.394 120.907 120.400 0.188 0.000 2.175 47 D HA 0.396 5.035 4.640 -0.001 0.000 0.248 47 D C 0.415 176.863 176.300 0.248 0.000 1.047 47 D CA -0.553 53.559 54.000 0.187 0.000 0.883 47 D CB 1.535 42.509 40.800 0.291 0.000 1.180 47 D HN 0.697 nan 8.370 nan 0.000 0.438 48 R N 2.783 123.396 120.500 0.188 0.000 2.140 48 R HA 0.057 4.396 4.340 -0.001 0.000 0.213 48 R C -1.020 175.388 176.300 0.179 0.000 1.059 48 R CA 0.422 56.630 56.100 0.179 0.000 1.000 48 R CB -0.661 29.694 30.300 0.091 0.000 0.910 48 R HN 0.397 nan 8.270 nan 0.000 0.455 49 P HA -0.100 nan 4.420 nan 0.000 0.216 49 P C -1.587 175.821 177.300 0.179 0.000 1.150 49 P CA 1.445 64.661 63.100 0.193 0.000 0.843 49 P CB -0.839 31.054 31.700 0.322 0.000 0.787 50 P HA -0.106 nan 4.420 nan 0.000 0.221 50 P C 1.224 178.649 177.300 0.208 0.000 1.145 50 P CA 1.035 64.251 63.100 0.193 0.000 0.795 50 P CB -0.600 31.224 31.700 0.208 0.000 0.775 51 L N -0.781 120.541 121.223 0.165 0.000 2.265 51 L HA -0.117 4.223 4.340 -0.001 0.000 0.215 51 L C 2.013 178.976 176.870 0.155 0.000 1.117 51 L CA 1.730 56.669 54.840 0.166 0.000 0.782 51 L CB -0.916 41.189 42.059 0.077 0.000 0.914 51 L HN 0.134 nan 8.230 nan 0.000 0.441 52 S N -2.223 113.545 115.700 0.112 0.000 2.556 52 S HA 0.093 4.563 4.470 -0.001 0.000 0.216 52 S C 0.977 175.618 174.600 0.067 0.000 0.970 52 S CA -0.268 57.977 58.200 0.076 0.000 0.912 52 S CB 0.492 63.722 63.200 0.050 0.000 0.790 52 S HN 0.414 nan 8.310 nan 0.000 0.504 53 K N 0.787 121.236 120.400 0.081 0.000 3.668 53 K HA 0.249 4.569 4.320 -0.001 0.000 0.305 53 K C 0.209 176.798 176.600 -0.019 0.000 1.158 53 K CA 0.198 56.513 56.287 0.046 0.000 1.442 53 K CB -0.224 32.328 32.500 0.086 0.000 3.241 53 K HN -0.078 nan 8.250 nan 0.000 0.985 54 D N 0.729 121.143 120.400 0.023 0.000 2.178 54 D HA -0.141 4.499 4.640 -0.001 0.000 0.201 54 D C 1.696 177.954 176.300 -0.070 0.000 0.980 54 D CA 1.082 55.050 54.000 -0.053 0.000 0.842 54 D CB -0.047 40.887 40.800 0.223 0.000 0.948 54 D HN 0.183 nan 8.370 nan 0.000 0.472 55 F N 1.289 121.225 119.950 -0.024 0.000 2.084 55 F HA -0.167 4.360 4.527 -0.001 0.000 0.296 55 F C 2.349 178.108 175.800 -0.069 0.000 1.111 55 F CA 0.969 58.958 58.000 -0.018 0.000 1.224 55 F CB -0.253 38.747 39.000 -0.000 0.000 0.991 55 F HN -0.215 nan 8.300 nan 0.000 0.471 56 M N 0.883 120.474 119.600 -0.016 0.000 2.144 56 M HA -0.158 4.322 4.480 -0.001 0.000 0.260 56 M C 1.999 178.147 176.300 -0.254 0.000 1.067 56 M CA 2.105 57.346 55.300 -0.098 0.000 1.095 56 M CB -0.930 31.672 32.600 0.003 0.000 1.365 56 M HN 0.232 nan 8.290 nan 0.000 0.406 57 A N -1.961 120.654 122.820 -0.342 0.000 1.911 57 A HA -0.039 4.280 4.320 -0.001 0.000 0.212 57 A C 1.654 178.982 177.584 -0.427 0.000 1.189 57 A CA 1.473 53.246 52.037 -0.440 0.000 0.639 57 A CB -0.779 17.839 19.000 -0.637 0.000 0.839 57 A HN 0.757 nan 8.150 nan 0.000 0.449 58 H N -2.463 116.491 119.070 -0.194 0.000 2.885 58 H HA 0.379 4.934 4.556 -0.001 0.000 0.260 58 H C 1.409 176.571 175.328 -0.277 0.000 0.985 58 H CA 0.208 56.151 56.048 -0.175 0.000 1.210 58 H CB 0.594 30.302 29.762 -0.090 0.000 1.466 58 H HN 0.595 nan 8.280 nan 0.000 0.493 59 G N 1.498 109.994 108.800 -0.506 0.000 2.153 59 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.252 59 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.252 59 G C -0.386 174.328 174.900 -0.310 0.000 0.994 59 G CA 0.524 45.147 45.100 -0.795 0.000 0.698 59 G HN 0.451 nan 8.290 nan 0.000 0.521 60 D N 0.105 120.495 120.400 -0.017 0.000 2.454 60 D HA 0.681 5.321 4.640 -0.001 0.000 0.225 60 D C 1.263 177.755 176.300 0.321 0.000 1.081 60 D CA 0.243 54.339 54.000 0.159 0.000 0.864 60 D CB 0.633 41.487 40.800 0.089 0.000 1.040 60 D HN 0.308 nan 8.370 nan 0.000 0.517 61 A N 3.929 126.950 122.820 0.335 0.000 2.119 61 A HA -0.084 4.236 4.320 -0.001 0.000 0.217 61 A C 1.573 179.191 177.584 0.056 0.000 1.153 61 A CA 0.742 52.862 52.037 0.137 0.000 0.692 61 A CB -0.044 18.933 19.000 -0.037 0.000 0.799 61 A HN 0.443 nan 8.150 nan 0.000 0.458 62 E N 0.392 120.635 120.200 0.070 0.000 2.482 62 E HA -0.038 4.311 4.350 -0.001 0.000 0.196 62 E C 1.145 177.778 176.600 0.055 0.000 1.047 62 E CA 0.606 57.031 56.400 0.042 0.000 0.869 62 E CB -0.139 29.579 29.700 0.030 0.000 0.836 62 E HN 0.640 nan 8.360 nan 0.000 0.520 63 K N 0.520 120.972 120.400 0.086 0.000 2.393 63 K HA 0.157 4.476 4.320 -0.001 0.000 0.193 63 K C 1.710 178.370 176.600 0.099 0.000 1.026 63 K CA 0.287 56.628 56.287 0.089 0.000 1.064 63 K CB 0.347 32.911 32.500 0.108 0.000 0.833 63 K HN 0.204 nan 8.250 nan 0.000 0.521 64 I N -2.571 118.058 120.570 0.098 0.000 4.147 64 I HA 0.225 4.394 4.170 -0.001 0.000 0.329 64 I C -0.283 175.909 176.117 0.125 0.000 1.424 64 I CA -0.696 60.673 61.300 0.116 0.000 1.127 64 I CB 0.381 38.449 38.000 0.113 0.000 1.128 64 I HN -0.207 nan 8.210 nan 0.000 0.417 65 R N 2.186 122.737 120.500 0.086 0.000 2.594 65 R HA 0.435 4.775 4.340 -0.001 0.000 0.272 65 R C -0.348 175.988 176.300 0.059 0.000 1.074 65 R CA -0.362 55.783 56.100 0.074 0.000 1.105 65 R CB 1.019 31.331 30.300 0.020 0.000 1.008 65 R HN 0.315 nan 8.270 nan 0.000 0.472 66 L N 1.460 122.700 121.223 0.029 0.000 2.371 66 L HA 0.090 4.430 4.340 -0.001 0.000 0.272 66 L C 0.630 177.488 176.870 -0.021 0.000 1.124 66 L CA -0.471 54.379 54.840 0.015 0.000 0.816 66 L CB 0.483 42.530 42.059 -0.021 0.000 1.129 66 L HN 0.441 nan 8.230 nan 0.000 0.448 67 D N 1.205 121.612 120.400 0.011 0.000 2.339 67 D HA 0.118 4.757 4.640 -0.001 0.000 0.241 67 D C 0.136 176.437 176.300 0.001 0.000 1.183 67 D CA -0.342 53.660 54.000 0.003 0.000 0.859 67 D CB 1.011 41.828 40.800 0.029 0.000 1.067 67 D HN 0.460 nan 8.370 nan 0.000 0.484 68 C N 3.549 122.831 119.300 -0.031 0.000 2.625 68 C HA 0.209 4.669 4.460 -0.001 0.000 0.285 68 C C 2.297 177.336 174.990 0.081 0.000 1.279 68 C CA 0.266 59.298 59.018 0.023 0.000 1.698 68 C CB -1.361 26.317 27.740 -0.102 0.000 1.821 68 C HN 0.789 nan 8.230 nan 0.000 0.600 69 K N 1.430 121.859 120.400 0.049 0.000 2.063 69 K HA -0.157 4.162 4.320 -0.001 0.000 0.208 69 K C 1.879 178.515 176.600 0.060 0.000 1.048 69 K CA 1.400 57.718 56.287 0.050 0.000 0.928 69 K CB -0.630 31.891 32.500 0.034 0.000 0.713 69 K HN 0.678 nan 8.250 nan 0.000 0.442 70 R N -0.194 120.341 120.500 0.059 0.000 2.339 70 R HA 0.189 4.529 4.340 -0.001 0.000 0.199 70 R C 0.813 177.151 176.300 0.063 0.000 1.018 70 R CA 0.454 56.585 56.100 0.051 0.000 1.036 70 R CB 0.097 30.422 30.300 0.041 0.000 0.899 70 R HN 0.386 nan 8.270 nan 0.000 0.473 71 A N 2.196 125.081 122.820 0.109 0.000 3.150 71 A HA 0.298 4.618 4.320 -0.001 0.000 0.328 71 A C -2.340 175.329 177.584 0.143 0.000 1.104 71 A CA -1.509 50.610 52.037 0.135 0.000 0.937 71 A CB 0.112 19.265 19.000 0.255 0.000 1.073 71 A HN -0.045 nan 8.150 nan 0.000 0.497 72 P HA 0.174 nan 4.420 nan 0.000 0.274 72 P C -0.294 177.033 177.300 0.045 0.000 1.237 72 P CA 0.443 63.586 63.100 0.072 0.000 0.793 72 P CB 0.557 32.278 31.700 0.035 0.000 0.977 73 E N -2.210 118.018 120.200 0.048 0.000 2.476 73 E HA -0.115 4.234 4.350 -0.001 0.000 0.251 73 E C -0.639 175.945 176.600 -0.027 0.000 1.130 73 E CA 0.567 56.972 56.400 0.009 0.000 0.736 73 E CB -2.251 27.433 29.700 -0.026 0.000 1.298 73 E HN 0.234 nan 8.360 nan 0.000 0.400 74 V N 0.636 120.538 119.914 -0.020 0.000 2.435 74 V HA 0.263 4.382 4.120 -0.001 0.000 0.290 74 V C 0.556 176.502 176.094 -0.247 0.000 1.030 74 V CA -0.563 61.601 62.300 -0.228 0.000 0.881 74 V CB 1.856 33.402 31.823 -0.462 0.000 0.983 74 V HN 0.191 nan 8.190 nan 0.000 0.445 75 E N 3.908 123.956 120.200 -0.255 0.000 2.130 75 E HA 0.262 4.611 4.350 -0.001 0.000 0.284 75 E C -1.535 174.923 176.600 -0.236 0.000 1.018 75 E CA -0.468 55.856 56.400 -0.126 0.000 0.817 75 E CB 0.629 30.300 29.700 -0.047 0.000 1.078 75 E HN 0.603 nan 8.360 nan 0.000 0.396 76 W N 5.940 127.254 121.300 0.023 0.000 2.291 76 W HA 0.311 4.971 4.660 -0.000 0.000 0.312 76 W C -0.607 175.925 176.519 0.021 0.000 1.061 76 W CA -0.667 56.691 57.345 0.022 0.000 1.296 76 W CB 0.618 30.091 29.460 0.021 0.000 1.223 76 W HN 0.400 nan 8.180 nan 0.000 0.421 77 L N 5.830 127.163 121.223 0.183 0.000 2.375 77 L HA 0.275 4.615 4.340 -0.001 0.000 0.276 77 L C 0.006 176.957 176.870 0.135 0.000 1.162 77 L CA -0.274 54.643 54.840 0.128 0.000 0.991 77 L CB -0.472 41.631 42.059 0.073 0.000 1.315 77 L HN 0.311 nan 8.230 nan 0.000 0.431 78 L N 2.346 123.652 121.223 0.139 0.000 2.375 78 L HA 0.468 4.807 4.340 -0.001 0.000 0.271 78 L C 1.301 178.217 176.870 0.077 0.000 1.107 78 L CA -0.199 54.708 54.840 0.112 0.000 0.806 78 L CB 1.093 43.212 42.059 0.099 0.000 1.146 78 L HN 0.760 nan 8.230 nan 0.000 0.447 79 G N 2.254 111.094 108.800 0.067 0.000 2.147 79 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.244 79 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.244 79 G C -0.280 174.649 174.900 0.047 0.000 1.005 79 G CA -0.016 45.115 45.100 0.051 0.000 0.713 79 G HN 0.367 nan 8.290 nan 0.000 0.515 80 V N 0.327 120.272 119.914 0.052 0.000 2.604 80 V HA 0.705 4.825 4.120 -0.001 0.000 0.305 80 V C 0.350 176.468 176.094 0.041 0.000 1.043 80 V CA -0.375 61.953 62.300 0.045 0.000 0.888 80 V CB 2.064 33.916 31.823 0.049 0.000 0.995 80 V HN 0.260 nan 8.190 nan 0.000 0.429 81 T N 3.940 118.515 114.554 0.036 0.000 2.771 81 T HA 0.584 4.934 4.350 -0.001 0.000 0.281 81 T C 0.256 174.978 174.700 0.036 0.000 0.982 81 T CA -0.181 61.938 62.100 0.033 0.000 0.978 81 T CB 1.383 70.268 68.868 0.028 0.000 0.930 81 T HN 0.942 nan 8.240 nan 0.000 0.447 82 A N 3.322 126.164 122.820 0.037 0.000 2.451 82 A HA 0.210 4.530 4.320 -0.001 0.000 0.266 82 A C 1.112 178.730 177.584 0.057 0.000 1.119 82 A CA -0.138 51.930 52.037 0.051 0.000 0.786 82 A CB 0.218 19.248 19.000 0.049 0.000 1.061 82 A HN 0.966 nan 8.150 nan 0.000 0.503 83 Q N 0.980 120.816 119.800 0.059 0.000 2.349 83 Q HA 0.116 4.455 4.340 -0.001 0.000 0.209 83 Q C 0.322 176.349 176.000 0.045 0.000 0.920 83 Q CA 1.046 56.876 55.803 0.044 0.000 0.901 83 Q CB 0.266 29.024 28.738 0.033 0.000 1.021 83 Q HN 0.973 nan 8.270 nan 0.000 0.519 84 S N -0.626 115.118 115.700 0.073 0.000 2.587 84 S HA 0.588 5.058 4.470 -0.001 0.000 0.269 84 S C -1.225 173.476 174.600 0.168 0.000 1.154 84 S CA -1.123 57.108 58.200 0.050 0.000 0.824 84 S CB 0.906 64.097 63.200 -0.016 0.000 1.118 84 S HN 0.251 nan 8.310 nan 0.000 0.462 85 F N -0.315 119.650 119.950 0.024 0.000 2.576 85 F HA 0.820 5.346 4.527 -0.001 0.000 0.313 85 F C -0.962 174.874 175.800 0.060 0.000 1.078 85 F CA -0.812 57.227 58.000 0.065 0.000 0.921 85 F CB 1.459 40.502 39.000 0.071 0.000 1.232 85 F HN 0.574 nan 8.300 nan 0.000 0.459 86 D N 4.262 124.790 120.400 0.212 0.000 2.454 86 D HA 0.330 4.969 4.640 -0.001 0.000 0.225 86 D C -1.925 174.465 176.300 0.149 0.000 1.081 86 D CA -2.575 51.471 54.000 0.077 0.000 0.864 86 D CB 1.884 42.714 40.800 0.050 0.000 1.040 86 D HN 0.327 nan 8.370 nan 0.000 0.517 87 P HA -0.058 nan 4.420 nan 0.000 0.233 87 P C 0.922 178.132 177.300 -0.149 0.000 1.167 87 P CA 0.739 63.899 63.100 0.100 0.000 0.770 87 P CB 0.734 32.547 31.700 0.188 0.000 0.837 88 Q N 0.041 119.822 119.800 -0.031 0.000 2.061 88 Q HA 0.069 4.409 4.340 -0.001 0.000 0.195 88 Q C 2.324 178.397 176.000 0.121 0.000 0.967 88 Q CA 1.303 57.130 55.803 0.040 0.000 0.829 88 Q CB -0.557 28.202 28.738 0.036 0.000 0.900 88 Q HN 0.158 nan 8.270 nan 0.000 0.450 89 A N 0.394 123.249 122.820 0.058 0.000 2.121 89 A HA -0.125 4.194 4.320 -0.001 0.000 0.218 89 A C -0.342 177.271 177.584 0.048 0.000 1.154 89 A CA 0.734 52.806 52.037 0.059 0.000 0.679 89 A CB -0.547 18.470 19.000 0.030 0.000 0.795 89 A HN 0.530 nan 8.150 nan 0.000 0.458 90 H N 0.007 118.930 119.070 -0.244 0.000 2.748 90 H HA -0.116 4.440 4.556 -0.000 0.000 0.322 90 H C 0.205 175.155 175.328 -0.631 0.000 1.208 90 H CA 0.828 56.395 56.048 -0.803 0.000 1.151 90 H CB -2.175 27.133 29.762 -0.757 0.000 1.505 90 H HN 0.697 nan 8.280 nan 0.000 0.429 91 T N -3.041 111.470 114.554 -0.071 0.000 2.896 91 T HA 0.770 5.120 4.350 -0.001 0.000 0.297 91 T C -0.313 174.591 174.700 0.341 0.000 1.108 91 T CA -0.785 61.401 62.100 0.144 0.000 1.004 91 T CB 2.634 71.553 68.868 0.085 0.000 1.159 91 T HN 0.086 nan 8.240 nan 0.000 0.499 92 V N 1.149 121.232 119.914 0.283 0.000 2.540 92 V HA 0.788 4.908 4.120 -0.001 0.000 0.302 92 V C 0.246 176.428 176.094 0.147 0.000 1.035 92 V CA -1.064 61.380 62.300 0.239 0.000 0.873 92 V CB 1.502 33.431 31.823 0.175 0.000 0.992 92 V HN 1.327 nan 8.190 nan 0.000 0.428 93 A N 5.972 128.867 122.820 0.126 0.000 2.274 93 A HA 0.836 5.155 4.320 -0.001 0.000 0.309 93 A C -0.594 177.031 177.584 0.070 0.000 1.226 93 A CA -0.380 51.706 52.037 0.082 0.000 0.853 93 A CB 0.301 19.338 19.000 0.063 0.000 1.146 93 A HN 0.801 nan 8.150 nan 0.000 0.518 94 L N 2.262 123.519 121.223 0.057 0.000 2.334 94 L HA 0.341 4.681 4.340 -0.001 0.000 0.272 94 L C 1.659 178.552 176.870 0.039 0.000 1.020 94 L CA -0.380 54.489 54.840 0.048 0.000 0.812 94 L CB 1.899 43.985 42.059 0.045 0.000 1.264 94 L HN 0.921 nan 8.230 nan 0.000 0.439 95 S N -0.849 114.873 115.700 0.036 0.000 2.442 95 S HA -0.171 4.299 4.470 -0.001 0.000 0.236 95 S C 0.986 175.603 174.600 0.028 0.000 1.007 95 S CA 1.108 59.326 58.200 0.030 0.000 0.965 95 S CB -0.451 62.766 63.200 0.029 0.000 0.773 95 S HN 0.852 nan 8.310 nan 0.000 0.504 96 D N 0.192 120.611 120.400 0.031 0.000 2.328 96 D HA 0.278 4.917 4.640 -0.001 0.000 0.226 96 D C 1.391 177.707 176.300 0.027 0.000 1.066 96 D CA 0.545 54.562 54.000 0.028 0.000 0.861 96 D CB -0.528 40.291 40.800 0.031 0.000 0.912 96 D HN 0.551 nan 8.370 nan 0.000 0.521 97 G N -0.059 108.758 108.800 0.028 0.000 2.195 97 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.246 97 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.246 97 G C 0.390 175.308 174.900 0.029 0.000 0.984 97 G CA -0.231 44.884 45.100 0.026 0.000 0.633 97 G HN 0.327 nan 8.290 nan 0.000 0.525 98 R N 0.584 121.104 120.500 0.032 0.000 2.577 98 R HA 0.670 5.009 4.340 -0.001 0.000 0.269 98 R C -0.186 176.140 176.300 0.043 0.000 1.084 98 R CA 0.137 56.258 56.100 0.035 0.000 1.163 98 R CB 0.323 30.644 30.300 0.035 0.000 1.100 98 R HN 0.189 nan 8.270 nan 0.000 0.547 99 T N 1.785 116.366 114.554 0.045 0.000 2.848 99 T HA 0.499 4.849 4.350 -0.001 0.000 0.285 99 T C -0.161 174.577 174.700 0.063 0.000 0.995 99 T CA -0.615 61.520 62.100 0.058 0.000 0.970 99 T CB 1.346 70.245 68.868 0.052 0.000 0.976 99 T HN 0.196 nan 8.240 nan 0.000 0.441 100 L N 5.396 126.671 121.223 0.085 0.000 2.307 100 L HA 0.511 4.850 4.340 -0.001 0.000 0.284 100 L C -2.066 174.880 176.870 0.127 0.000 1.023 100 L CA -2.300 52.596 54.840 0.094 0.000 0.810 100 L CB 1.885 44.001 42.059 0.095 0.000 1.231 100 L HN 0.350 nan 8.230 nan 0.000 0.423 101 P HA 0.244 nan 4.420 nan 0.000 0.281 101 P C -1.766 175.636 177.300 0.170 0.000 1.249 101 P CA -0.230 62.919 63.100 0.081 0.000 0.810 101 P CB 1.052 32.773 31.700 0.036 0.000 1.008 102 Y N -2.233 118.122 120.300 0.092 0.000 2.534 102 Y HA 0.688 5.238 4.550 -0.000 0.000 0.345 102 Y C 0.837 176.815 175.900 0.129 0.000 1.031 102 Y CA -0.992 57.159 58.100 0.086 0.000 1.022 102 Y CB 0.655 39.146 38.460 0.052 0.000 1.292 102 Y HN 0.389 nan 8.280 nan 0.000 0.459 103 G N 0.544 109.512 108.800 0.279 0.000 2.510 103 G HA2 0.258 4.217 3.960 -0.001 0.000 0.212 103 G HA3 0.258 4.217 3.960 -0.001 0.000 0.212 103 G C -0.289 174.848 174.900 0.394 0.000 1.151 103 G CA 0.487 45.719 45.100 0.220 0.000 0.817 103 G HN 0.593 nan 8.290 nan 0.000 0.534 104 T N 0.423 115.197 114.554 0.366 0.000 2.928 104 T HA 0.496 4.846 4.350 -0.001 0.000 0.296 104 T C -1.651 173.051 174.700 0.003 0.000 1.000 104 T CA -0.408 61.831 62.100 0.233 0.000 0.989 104 T CB 2.489 71.392 68.868 0.059 0.000 1.005 104 T HN 0.077 nan 8.240 nan 0.000 0.442 105 L N 4.550 125.598 121.223 -0.292 0.000 2.307 105 L HA 0.810 5.150 4.340 -0.001 0.000 0.284 105 L C -1.156 175.471 176.870 -0.405 0.000 1.023 105 L CA -0.526 53.897 54.840 -0.696 0.000 0.810 105 L CB 1.422 42.576 42.059 -1.507 0.000 1.231 105 L HN 0.475 nan 8.230 nan 0.000 0.423 106 V N 6.362 126.034 119.914 -0.403 0.000 2.444 106 V HA 0.412 4.532 4.120 -0.001 0.000 0.294 106 V C -0.259 175.605 176.094 -0.383 0.000 1.022 106 V CA -0.596 61.463 62.300 -0.402 0.000 0.850 106 V CB 1.619 33.056 31.823 -0.643 0.000 0.992 106 V HN 0.567 nan 8.190 nan 0.000 0.426 107 L N 4.452 125.480 121.223 -0.325 0.000 2.259 107 L HA 0.705 5.045 4.340 -0.001 0.000 0.288 107 L C 0.605 177.342 176.870 -0.221 0.000 1.051 107 L CA -0.206 54.482 54.840 -0.253 0.000 0.824 107 L CB 1.215 43.154 42.059 -0.201 0.000 1.206 107 L HN 0.759 nan 8.230 nan 0.000 0.429 108 A N 1.189 123.889 122.820 -0.198 0.000 2.956 108 A HA 0.283 4.602 4.320 -0.001 0.000 0.294 108 A C 0.995 178.507 177.584 -0.121 0.000 0.993 108 A CA -0.254 51.679 52.037 -0.174 0.000 1.032 108 A CB -0.190 18.693 19.000 -0.194 0.000 1.129 108 A HN 0.709 nan 8.150 nan 0.000 0.505 109 T N -3.414 111.077 114.554 -0.104 0.000 3.107 109 T HA 0.437 4.786 4.350 -0.001 0.000 0.249 109 T C 1.387 176.044 174.700 -0.071 0.000 1.096 109 T CA 0.932 62.988 62.100 -0.074 0.000 1.012 109 T CB -0.141 68.695 68.868 -0.055 0.000 0.977 109 T HN 1.857 nan 8.240 nan 0.000 0.527 110 G N 1.752 110.501 108.800 -0.086 0.000 2.547 110 G HA2 0.177 4.137 3.960 -0.001 0.000 0.271 110 G HA3 0.177 4.137 3.960 -0.001 0.000 0.271 110 G C -0.045 174.811 174.900 -0.072 0.000 1.209 110 G CA -0.061 44.988 45.100 -0.085 0.000 0.959 110 G HN 1.524 nan 8.290 nan 0.000 0.563 111 A N -1.340 121.441 122.820 -0.064 0.000 2.587 111 A HA 1.059 5.378 4.320 -0.001 0.000 0.293 111 A C -0.067 177.492 177.584 -0.042 0.000 1.087 111 A CA 0.500 52.504 52.037 -0.055 0.000 0.692 111 A CB 1.284 20.247 19.000 -0.062 0.000 1.291 111 A HN 2.624 nan 8.150 nan 0.000 0.407 112 A N 1.118 123.918 122.820 -0.033 0.000 2.365 112 A HA 0.887 5.207 4.320 -0.001 0.000 0.318 112 A C -2.991 174.581 177.584 -0.020 0.000 1.091 112 A CA -1.929 50.096 52.037 -0.021 0.000 0.763 112 A CB 0.837 19.828 19.000 -0.014 0.000 1.248 112 A HN 0.480 nan 8.150 nan 0.000 0.442 113 P HA 0.092 nan 4.420 nan 0.000 0.265 113 P C -0.310 176.984 177.300 -0.011 0.000 1.193 113 P CA 0.108 63.201 63.100 -0.012 0.000 0.765 113 P CB 0.321 32.021 31.700 -0.000 0.000 0.823 114 R N 2.709 123.200 120.500 -0.015 0.000 2.491 114 R HA 0.449 4.788 4.340 -0.001 0.000 0.283 114 R C -0.063 176.231 176.300 -0.010 0.000 1.072 114 R CA -0.278 55.813 56.100 -0.014 0.000 1.048 114 R CB 0.232 30.522 30.300 -0.017 0.000 0.983 114 R HN 0.524 nan 8.270 nan 0.000 0.450 115 A N 4.079 126.894 122.820 -0.008 0.000 2.322 115 A HA 0.278 4.597 4.320 -0.001 0.000 0.269 115 A C -0.893 176.684 177.584 -0.011 0.000 1.094 115 A CA -0.637 51.395 52.037 -0.008 0.000 0.807 115 A CB 0.739 19.736 19.000 -0.006 0.000 1.047 115 A HN 0.613 nan 8.150 nan 0.000 0.487 116 L N 3.431 124.646 121.223 -0.013 0.000 2.295 116 L HA 0.400 4.739 4.340 -0.001 0.000 0.288 116 L C -1.771 175.091 176.870 -0.014 0.000 1.079 116 L CA -1.774 53.057 54.840 -0.015 0.000 0.830 116 L CB 0.902 42.950 42.059 -0.019 0.000 1.200 116 L HN 0.422 nan 8.230 nan 0.000 0.438 117 P HA -0.141 nan 4.420 nan 0.000 0.218 117 P C 1.255 178.548 177.300 -0.011 0.000 1.148 117 P CA 1.596 64.690 63.100 -0.010 0.000 0.822 117 P CB 0.041 31.736 31.700 -0.008 0.000 0.784 118 T N -3.766 110.780 114.554 -0.013 0.000 3.072 118 T HA 0.013 4.363 4.350 -0.001 0.000 0.266 118 T C 1.362 176.051 174.700 -0.017 0.000 1.127 118 T CA 0.728 62.820 62.100 -0.014 0.000 1.107 118 T CB -0.778 68.082 68.868 -0.013 0.000 0.910 118 T HN 0.086 nan 8.240 nan 0.000 0.513 119 L N -0.179 121.032 121.223 -0.020 0.000 2.728 119 L HA 0.334 4.673 4.340 -0.001 0.000 0.238 119 L C 2.378 179.233 176.870 -0.025 0.000 1.143 119 L CA -0.165 54.659 54.840 -0.025 0.000 0.937 119 L CB 0.047 42.087 42.059 -0.032 0.000 1.225 119 L HN 0.132 nan 8.230 nan 0.000 0.507 120 Q N 1.216 121.005 119.800 -0.019 0.000 2.112 120 Q HA -0.120 4.220 4.340 -0.001 0.000 0.206 120 Q C 1.764 177.754 176.000 -0.016 0.000 0.987 120 Q CA 1.766 57.560 55.803 -0.016 0.000 0.858 120 Q CB -0.220 28.511 28.738 -0.012 0.000 0.905 120 Q HN 0.392 nan 8.270 nan 0.000 0.420 121 G N -1.114 107.676 108.800 -0.016 0.000 3.814 121 G HA2 0.521 4.481 3.960 -0.001 0.000 0.293 121 G HA3 0.521 4.481 3.960 -0.001 0.000 0.293 121 G C -0.336 174.553 174.900 -0.019 0.000 1.243 121 G CA 0.198 45.289 45.100 -0.015 0.000 1.053 121 G HN 0.413 nan 8.290 nan 0.000 0.562 122 A N 0.235 123.039 122.820 -0.026 0.000 2.386 122 A HA 0.564 4.883 4.320 -0.001 0.000 0.248 122 A C 1.259 178.824 177.584 -0.032 0.000 1.082 122 A CA 0.508 52.526 52.037 -0.031 0.000 0.789 122 A CB 0.440 19.415 19.000 -0.043 0.000 1.025 122 A HN 0.576 nan 8.150 nan 0.000 0.490 123 T N -0.945 113.591 114.554 -0.030 0.000 3.296 123 T HA 0.456 4.805 4.350 -0.001 0.000 0.285 123 T C 0.072 174.754 174.700 -0.031 0.000 1.014 123 T CA -0.012 62.073 62.100 -0.026 0.000 0.920 123 T CB -0.961 67.896 68.868 -0.018 0.000 1.143 123 T HN 0.794 nan 8.240 nan 0.000 0.522 124 M N -0.686 118.887 119.600 -0.045 0.000 2.690 124 M HA 0.781 5.261 4.480 -0.001 0.000 0.302 124 M C -3.124 173.120 176.300 -0.093 0.000 1.234 124 M CA -2.350 52.919 55.300 -0.052 0.000 0.853 124 M CB 1.186 33.759 32.600 -0.045 0.000 1.748 124 M HN -0.329 nan 8.290 nan 0.000 0.469 125 P HA 0.248 nan 4.420 nan 0.000 0.266 125 P C -1.271 175.812 177.300 -0.362 0.000 1.215 125 P CA -0.164 62.784 63.100 -0.252 0.000 0.763 125 P CB 0.463 32.074 31.700 -0.148 0.000 0.806 126 V N 5.214 124.844 119.914 -0.474 0.000 2.525 126 V HA 0.345 4.465 4.120 -0.001 0.000 0.299 126 V C -0.220 175.618 176.094 -0.426 0.000 1.034 126 V CA -0.548 61.548 62.300 -0.340 0.000 0.863 126 V CB 1.360 33.089 31.823 -0.157 0.000 0.999 126 V HN 0.605 nan 8.190 nan 0.000 0.423 127 H N 1.747 120.816 119.070 -0.002 0.000 2.797 127 H HA 0.720 5.275 4.556 -0.001 0.000 0.372 127 H C -0.057 175.270 175.328 -0.001 0.000 1.168 127 H CA -0.502 55.546 56.048 0.001 0.000 1.163 127 H CB 2.484 32.250 29.762 0.006 0.000 1.778 127 H HN 0.701 nan 8.280 nan 0.000 0.551 128 T N -0.932 113.707 114.554 0.142 0.000 2.937 128 T HA 0.498 4.848 4.350 -0.001 0.000 0.283 128 T C -0.345 174.396 174.700 0.068 0.000 1.012 128 T CA -0.968 61.177 62.100 0.075 0.000 0.997 128 T CB 1.435 70.328 68.868 0.043 0.000 1.136 128 T HN 0.206 nan 8.240 nan 0.000 0.551 129 L N 1.041 122.288 121.223 0.041 0.000 2.417 129 L HA 0.693 5.033 4.340 -0.001 0.000 0.259 129 L C 0.383 177.269 176.870 0.027 0.000 1.023 129 L CA -0.390 54.470 54.840 0.034 0.000 0.901 129 L CB 1.110 43.189 42.059 0.033 0.000 1.227 129 L HN 0.851 nan 8.230 nan 0.000 0.454 130 R N 1.264 121.783 120.500 0.032 0.000 2.551 130 R HA 0.341 4.681 4.340 -0.001 0.000 0.202 130 R C 0.122 176.463 176.300 0.068 0.000 0.861 130 R CA 1.057 57.177 56.100 0.034 0.000 1.018 130 R CB 0.450 30.761 30.300 0.018 0.000 1.435 130 R HN 0.592 nan 8.270 nan 0.000 0.659 131 T N -1.848 112.748 114.554 0.069 0.000 2.949 131 T HA 0.266 4.615 4.350 -0.001 0.000 0.287 131 T C 0.876 175.577 174.700 0.002 0.000 1.034 131 T CA -0.729 61.442 62.100 0.118 0.000 1.018 131 T CB 1.229 70.152 68.868 0.091 0.000 1.135 131 T HN -0.026 nan 8.240 nan 0.000 0.532 132 L N 0.761 121.895 121.223 -0.148 0.000 2.079 132 L HA -0.000 4.339 4.340 -0.001 0.000 0.210 132 L C 2.620 179.366 176.870 -0.207 0.000 1.081 132 L CA 2.038 56.613 54.840 -0.441 0.000 0.752 132 L CB -1.236 40.332 42.059 -0.818 0.000 0.896 132 L HN 1.008 nan 8.230 nan 0.000 0.433 133 E N -0.944 119.188 120.200 -0.113 0.000 2.077 133 E HA -0.251 4.099 4.350 -0.001 0.000 0.193 133 E C 1.678 178.248 176.600 -0.050 0.000 0.989 133 E CA 1.489 57.854 56.400 -0.058 0.000 0.800 133 E CB 0.008 29.691 29.700 -0.029 0.000 0.746 133 E HN 0.507 nan 8.360 nan 0.000 0.452 134 D N 0.346 120.722 120.400 -0.040 0.000 2.104 134 D HA -0.175 4.464 4.640 -0.001 0.000 0.194 134 D C 1.859 178.126 176.300 -0.055 0.000 0.994 134 D CA 1.555 55.524 54.000 -0.052 0.000 0.830 134 D CB -0.430 40.366 40.800 -0.006 0.000 0.959 134 D HN 0.327 nan 8.370 nan 0.000 0.452 135 A N 0.961 123.782 122.820 0.003 0.000 1.902 135 A HA -0.182 4.137 4.320 -0.001 0.000 0.217 135 A C 2.205 179.874 177.584 0.141 0.000 1.181 135 A CA 1.360 53.459 52.037 0.102 0.000 0.623 135 A CB -0.458 18.654 19.000 0.188 0.000 0.818 135 A HN 0.119 nan 8.150 nan 0.000 0.443 136 R N -1.164 119.424 120.500 0.147 0.000 2.096 136 R HA -0.096 4.243 4.340 -0.001 0.000 0.235 136 R C 2.476 178.767 176.300 -0.015 0.000 1.127 136 R CA 1.668 57.834 56.100 0.110 0.000 0.968 136 R CB -0.232 30.126 30.300 0.097 0.000 0.861 136 R HN 0.455 nan 8.270 nan 0.000 0.440 137 R N 0.438 120.882 120.500 -0.092 0.000 2.075 137 R HA -0.006 4.333 4.340 -0.001 0.000 0.232 137 R C 2.117 178.256 176.300 -0.267 0.000 1.126 137 R CA 1.204 57.180 56.100 -0.206 0.000 0.963 137 R CB -0.140 29.954 30.300 -0.344 0.000 0.858 137 R HN 0.156 nan 8.270 nan 0.000 0.435 138 I N 0.151 120.567 120.570 -0.256 0.000 2.142 138 I HA -0.316 3.854 4.170 -0.001 0.000 0.240 138 I C 2.583 178.671 176.117 -0.047 0.000 1.078 138 I CA 1.336 62.560 61.300 -0.127 0.000 1.343 138 I CB -0.349 37.622 38.000 -0.049 0.000 1.046 138 I HN 0.313 nan 8.210 nan 0.000 0.405 139 Q N 0.821 120.598 119.800 -0.039 0.000 2.133 139 Q HA -0.275 4.064 4.340 -0.001 0.000 0.208 139 Q C 2.142 178.113 176.000 -0.048 0.000 0.991 139 Q CA 2.152 57.926 55.803 -0.049 0.000 0.867 139 Q CB -0.196 28.503 28.738 -0.066 0.000 0.911 139 Q HN 0.593 nan 8.270 nan 0.000 0.417 140 A N -0.671 122.124 122.820 -0.042 0.000 2.248 140 A HA 0.012 4.331 4.320 -0.001 0.000 0.210 140 A C 1.588 179.165 177.584 -0.012 0.000 1.174 140 A CA 1.190 53.209 52.037 -0.030 0.000 0.750 140 A CB -0.223 18.762 19.000 -0.025 0.000 0.780 140 A HN 0.509 nan 8.150 nan 0.000 0.478 141 G N -1.848 106.949 108.800 -0.005 0.000 3.274 141 G HA2 0.367 4.326 3.960 -0.001 0.000 0.250 141 G HA3 0.367 4.326 3.960 -0.001 0.000 0.250 141 G C 0.284 175.187 174.900 0.005 0.000 1.024 141 G CA -0.114 44.996 45.100 0.016 0.000 0.840 141 G HN 0.279 nan 8.290 nan 0.000 0.522 142 L N 2.630 123.845 121.223 -0.013 0.000 2.873 142 L HA 0.489 4.828 4.340 -0.001 0.000 0.236 142 L C 1.385 178.233 176.870 -0.036 0.000 1.375 142 L CA -0.210 54.615 54.840 -0.024 0.000 1.239 142 L CB -0.997 41.041 42.059 -0.035 0.000 1.603 142 L HN 0.191 nan 8.230 nan 0.000 0.430 143 R N 1.125 121.607 120.500 -0.030 0.000 2.490 143 R HA 0.492 4.832 4.340 -0.001 0.000 0.280 143 R C -2.510 173.756 176.300 -0.055 0.000 1.077 143 R CA -1.489 54.589 56.100 -0.036 0.000 1.065 143 R CB -1.238 29.049 30.300 -0.022 0.000 1.003 143 R HN 0.197 nan 8.270 nan 0.000 0.470 144 P HA 0.071 nan 4.420 nan 0.000 0.264 144 P C -0.404 176.832 177.300 -0.108 0.000 1.183 144 P CA 0.503 63.545 63.100 -0.096 0.000 0.763 144 P CB 0.823 32.481 31.700 -0.070 0.000 0.807 145 Q N -0.990 118.679 119.800 -0.219 0.000 2.311 145 Q HA -0.183 4.157 4.340 -0.001 0.000 0.178 145 Q C 0.256 176.239 176.000 -0.030 0.000 0.596 145 Q CA 1.633 57.315 55.803 -0.201 0.000 1.377 145 Q CB -2.578 26.156 28.738 -0.006 0.000 1.372 145 Q HN 0.679 nan 8.270 nan 0.000 0.896 146 S N -1.105 114.568 115.700 -0.045 0.000 2.589 146 S HA 0.685 5.155 4.470 -0.001 0.000 0.265 146 S C 0.471 175.115 174.600 0.073 0.000 1.342 146 S CA -0.077 58.138 58.200 0.024 0.000 1.005 146 S CB 1.259 64.459 63.200 0.001 0.000 0.909 146 S HN 0.592 nan 8.310 nan 0.000 0.555 147 R N 0.389 120.941 120.500 0.085 0.000 2.288 147 R HA 0.702 5.042 4.340 -0.001 0.000 0.326 147 R C -0.986 175.342 176.300 0.047 0.000 0.959 147 R CA -0.835 55.322 56.100 0.095 0.000 0.834 147 R CB 0.220 30.564 30.300 0.073 0.000 1.157 147 R HN 0.748 nan 8.270 nan 0.000 0.470 148 L N 2.824 124.072 121.223 0.041 0.000 2.307 148 L HA 0.713 5.052 4.340 -0.001 0.000 0.284 148 L C -0.848 176.026 176.870 0.007 0.000 1.023 148 L CA -1.293 53.560 54.840 0.020 0.000 0.810 148 L CB 1.862 43.930 42.059 0.015 0.000 1.231 148 L HN 0.666 nan 8.230 nan 0.000 0.423 149 L N 6.490 127.710 121.223 -0.004 0.000 2.287 149 L HA 0.612 4.952 4.340 -0.001 0.000 0.287 149 L C -0.965 175.890 176.870 -0.025 0.000 1.022 149 L CA -0.007 54.821 54.840 -0.021 0.000 0.814 149 L CB 1.063 43.106 42.059 -0.027 0.000 1.217 149 L HN 0.567 nan 8.230 nan 0.000 0.420 150 I N 5.626 126.173 120.570 -0.039 0.000 2.359 150 I HA 0.375 4.545 4.170 -0.001 0.000 0.294 150 I C -0.644 175.439 176.117 -0.057 0.000 0.987 150 I CA -0.888 60.387 61.300 -0.042 0.000 1.225 150 I CB 1.822 39.791 38.000 -0.051 0.000 1.366 150 I HN 0.274 nan 8.210 nan 0.000 0.466 151 V N 5.353 125.239 119.914 -0.046 0.000 2.328 151 V HA 0.784 4.904 4.120 -0.001 0.000 0.278 151 V C 0.360 176.426 176.094 -0.047 0.000 1.021 151 V CA -0.408 61.862 62.300 -0.049 0.000 0.838 151 V CB 0.650 32.450 31.823 -0.038 0.000 0.999 151 V HN 1.064 nan 8.190 nan 0.000 0.447 152 G N 3.407 112.173 108.800 -0.057 0.000 3.363 152 G HA2 0.223 4.182 3.960 -0.001 0.000 0.685 152 G HA3 0.223 4.182 3.960 -0.001 0.000 0.685 152 G C 0.032 174.896 174.900 -0.060 0.000 1.199 152 G CA -0.491 44.580 45.100 -0.047 0.000 0.946 152 G HN 1.197 nan 8.290 nan 0.000 0.558 153 G N 0.706 109.478 108.800 -0.047 0.000 4.125 153 G HA2 0.677 4.636 3.960 -0.001 0.000 0.301 153 G HA3 0.677 4.636 3.960 -0.001 0.000 0.301 153 G C 0.826 175.719 174.900 -0.011 0.000 1.273 153 G CA 0.899 45.971 45.100 -0.048 0.000 1.095 153 G HN 1.238 nan 8.290 nan 0.000 0.582 154 G N -0.639 108.145 108.800 -0.027 0.000 2.531 154 G HA2 0.340 4.299 3.960 -0.001 0.000 0.281 154 G HA3 0.340 4.299 3.960 -0.001 0.000 0.281 154 G C 1.169 176.047 174.900 -0.037 0.000 1.382 154 G CA -0.064 45.020 45.100 -0.026 0.000 1.045 154 G HN 0.036 nan 8.290 nan 0.000 0.533 155 V N 0.167 120.046 119.914 -0.057 0.000 2.287 155 V HA -0.202 3.917 4.120 -0.001 0.000 0.248 155 V C 2.818 178.876 176.094 -0.060 0.000 1.053 155 V CA 1.857 64.120 62.300 -0.063 0.000 1.027 155 V CB -0.705 31.032 31.823 -0.143 0.000 0.646 155 V HN 0.549 nan 8.190 nan 0.000 0.447 156 I N 0.404 120.933 120.570 -0.069 0.000 2.252 156 I HA -0.126 4.044 4.170 -0.001 0.000 0.245 156 I C 2.614 178.711 176.117 -0.034 0.000 1.102 156 I CA 1.583 62.855 61.300 -0.047 0.000 1.385 156 I CB -1.041 36.933 38.000 -0.044 0.000 1.064 156 I HN 0.417 nan 8.210 nan 0.000 0.414 157 G N 1.340 110.113 108.800 -0.045 0.000 2.418 157 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.217 157 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.217 157 G C 1.723 176.577 174.900 -0.077 0.000 1.158 157 G CA 0.544 45.611 45.100 -0.055 0.000 0.771 157 G HN 0.265 nan 8.290 nan 0.000 0.545 158 L N -0.163 121.005 121.223 -0.092 0.000 2.131 158 L HA 0.068 4.407 4.340 -0.001 0.000 0.206 158 L C 2.817 179.685 176.870 -0.002 0.000 1.087 158 L CA 0.782 55.527 54.840 -0.158 0.000 0.767 158 L CB -0.347 41.615 42.059 -0.162 0.000 0.917 158 L HN 0.247 nan 8.230 nan 0.000 0.441 159 E N 0.187 120.404 120.200 0.029 0.000 2.077 159 E HA -0.264 4.085 4.350 -0.001 0.000 0.193 159 E C 2.091 178.726 176.600 0.058 0.000 0.989 159 E CA 1.168 57.607 56.400 0.065 0.000 0.800 159 E CB -0.148 29.573 29.700 0.034 0.000 0.746 159 E HN 0.221 nan 8.360 nan 0.000 0.452 160 L N 1.006 122.244 121.223 0.025 0.000 2.046 160 L HA -0.120 4.219 4.340 -0.001 0.000 0.208 160 L C 2.203 179.086 176.870 0.022 0.000 1.077 160 L CA 1.963 56.816 54.840 0.021 0.000 0.747 160 L CB -0.697 41.368 42.059 0.010 0.000 0.896 160 L HN 0.049 nan 8.230 nan 0.000 0.432 161 A N -0.377 122.446 122.820 0.005 0.000 1.892 161 A HA -0.205 4.114 4.320 -0.001 0.000 0.218 161 A C 2.465 180.101 177.584 0.087 0.000 1.188 161 A CA 2.253 54.295 52.037 0.009 0.000 0.631 161 A CB -1.278 17.672 19.000 -0.083 0.000 0.822 161 A HN 0.594 nan 8.150 nan 0.000 0.447 162 A N -1.236 121.685 122.820 0.168 0.000 1.877 162 A HA -0.081 4.238 4.320 -0.001 0.000 0.216 162 A C 2.325 179.971 177.584 0.102 0.000 1.186 162 A CA 2.331 54.490 52.037 0.203 0.000 0.620 162 A CB -1.370 17.798 19.000 0.279 0.000 0.822 162 A HN 0.442 nan 8.150 nan 0.000 0.443 163 T N 0.421 115.018 114.554 0.071 0.000 2.720 163 T HA -0.069 4.281 4.350 -0.001 0.000 0.268 163 T C 2.202 176.904 174.700 0.003 0.000 1.037 163 T CA 1.729 63.844 62.100 0.025 0.000 1.144 163 T CB -0.485 68.389 68.868 0.010 0.000 0.864 163 T HN 0.605 nan 8.240 nan 0.000 0.444 164 A N 1.931 124.755 122.820 0.007 0.000 1.902 164 A HA -0.118 4.201 4.320 -0.001 0.000 0.217 164 A C 2.417 179.989 177.584 -0.020 0.000 1.181 164 A CA 1.115 53.145 52.037 -0.012 0.000 0.623 164 A CB -0.363 18.633 19.000 -0.007 0.000 0.818 164 A HN 0.205 nan 8.150 nan 0.000 0.443 165 R N -0.437 120.064 120.500 0.002 0.000 2.073 165 R HA -0.090 4.249 4.340 -0.001 0.000 0.234 165 R C 2.217 178.507 176.300 -0.016 0.000 1.134 165 R CA 1.863 57.958 56.100 -0.008 0.000 0.952 165 R CB -1.671 28.636 30.300 0.012 0.000 0.850 165 R HN 0.568 nan 8.270 nan 0.000 0.433 166 T N 1.381 115.935 114.554 0.001 0.000 2.759 166 T HA -0.135 4.214 4.350 -0.001 0.000 0.269 166 T C 1.723 176.412 174.700 -0.019 0.000 1.042 166 T CA 1.633 63.733 62.100 0.000 0.000 1.140 166 T CB -0.212 68.665 68.868 0.016 0.000 0.864 166 T HN 0.391 nan 8.240 nan 0.000 0.455 167 A N 0.270 123.070 122.820 -0.033 0.000 2.235 167 A HA 0.465 4.785 4.320 -0.001 0.000 0.208 167 A C 1.878 179.423 177.584 -0.065 0.000 1.172 167 A CA 0.918 52.926 52.037 -0.047 0.000 0.786 167 A CB -0.817 18.149 19.000 -0.055 0.000 0.804 167 A HN 0.811 nan 8.150 nan 0.000 0.479 168 G N -1.508 107.246 108.800 -0.077 0.000 2.137 168 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.237 168 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.237 168 G C 0.050 174.816 174.900 -0.222 0.000 1.002 168 G CA 0.099 45.125 45.100 -0.123 0.000 0.702 168 G HN 0.770 nan 8.290 nan 0.000 0.515 169 V N 2.421 122.229 119.914 -0.176 0.000 2.509 169 V HA 0.390 4.510 4.120 -0.001 0.000 0.284 169 V C 0.725 176.701 176.094 -0.197 0.000 1.047 169 V CA -1.117 61.062 62.300 -0.202 0.000 0.952 169 V CB 1.187 32.957 31.823 -0.088 0.000 0.988 169 V HN 0.358 nan 8.190 nan 0.000 0.469 170 H N 3.242 122.305 119.070 -0.011 0.000 2.767 170 H HA 0.396 4.951 4.556 -0.001 0.000 0.316 170 H C -0.472 174.846 175.328 -0.017 0.000 1.059 170 H CA -0.172 55.867 56.048 -0.015 0.000 1.461 170 H CB 1.276 31.029 29.762 -0.015 0.000 1.475 170 H HN 0.357 nan 8.280 nan 0.000 0.531 171 V N 3.527 123.497 119.914 0.093 0.000 2.483 171 V HA 0.225 4.345 4.120 -0.001 0.000 0.297 171 V C -0.005 176.093 176.094 0.007 0.000 1.027 171 V CA -0.805 61.514 62.300 0.032 0.000 0.855 171 V CB 1.667 33.497 31.823 0.011 0.000 0.995 171 V HN 0.880 nan 8.190 nan 0.000 0.424 172 S N 5.308 121.000 115.700 -0.013 0.000 2.537 172 S HA 0.907 5.377 4.470 -0.001 0.000 0.301 172 S C -0.899 173.659 174.600 -0.070 0.000 1.092 172 S CA -0.764 57.410 58.200 -0.044 0.000 1.048 172 S CB 2.213 65.390 63.200 -0.040 0.000 1.053 172 S HN 0.748 nan 8.310 nan 0.000 0.501 173 L N 2.490 123.645 121.223 -0.113 0.000 2.438 173 L HA 0.690 5.030 4.340 -0.001 0.000 0.270 173 L C -1.736 175.017 176.870 -0.195 0.000 0.972 173 L CA -0.725 54.028 54.840 -0.145 0.000 0.831 173 L CB 1.763 43.720 42.059 -0.170 0.000 1.273 173 L HN 0.661 nan 8.230 nan 0.000 0.405 174 V N 3.623 123.445 119.914 -0.153 0.000 2.394 174 V HA 0.541 4.661 4.120 -0.001 0.000 0.282 174 V C -0.473 175.536 176.094 -0.142 0.000 1.031 174 V CA -0.386 61.825 62.300 -0.149 0.000 0.881 174 V CB 1.640 33.410 31.823 -0.089 0.000 0.982 174 V HN 0.774 nan 8.190 nan 0.000 0.451 175 E N 2.618 122.721 120.200 -0.162 0.000 2.256 175 E HA 0.413 4.763 4.350 -0.001 0.000 0.268 175 E C 0.729 177.337 176.600 0.013 0.000 0.877 175 E CA -0.109 56.247 56.400 -0.074 0.000 0.757 175 E CB 2.119 31.765 29.700 -0.090 0.000 1.183 175 E HN 0.667 nan 8.360 nan 0.000 0.418 176 T N 1.117 115.690 114.554 0.032 0.000 2.904 176 T HA -0.002 4.348 4.350 -0.001 0.000 0.267 176 T C 0.748 175.496 174.700 0.081 0.000 1.059 176 T CA 0.464 62.592 62.100 0.046 0.000 1.137 176 T CB -0.053 68.832 68.868 0.027 0.000 0.879 176 T HN 0.333 nan 8.240 nan 0.000 0.467 177 Q N 1.665 121.528 119.800 0.105 0.000 2.382 177 Q HA 0.235 4.575 4.340 -0.001 0.000 0.229 177 Q C -1.773 174.335 176.000 0.180 0.000 1.006 177 Q CA -2.347 53.524 55.803 0.114 0.000 0.916 177 Q CB 0.558 29.354 28.738 0.097 0.000 1.235 177 Q HN 0.180 nan 8.270 nan 0.000 0.512 178 P HA -0.058 nan 4.420 nan 0.000 0.242 178 P C -0.348 176.829 177.300 -0.205 0.000 1.197 178 P CA 0.921 64.027 63.100 0.010 0.000 0.765 178 P CB 0.421 32.098 31.700 -0.039 0.000 0.936 179 R N -1.613 118.878 120.500 -0.015 0.000 2.764 179 R HA 0.604 4.944 4.340 -0.001 0.000 0.270 179 R C -0.714 175.736 176.300 0.251 0.000 1.014 179 R CA -1.143 54.916 56.100 -0.070 0.000 0.904 179 R CB 0.708 30.975 30.300 -0.054 0.000 1.236 179 R HN -0.209 nan 8.270 nan 0.000 0.466 180 L N 1.707 123.108 121.223 0.298 0.000 2.439 180 L HA 0.345 4.684 4.340 -0.001 0.000 0.261 180 L C 0.538 177.497 176.870 0.149 0.000 1.153 180 L CA -0.651 54.339 54.840 0.250 0.000 0.808 180 L CB 0.398 42.607 42.059 0.250 0.000 1.126 180 L HN 0.796 nan 8.230 nan 0.000 0.460 181 M N 0.488 120.154 119.600 0.109 0.000 2.253 181 M HA -0.240 4.239 4.480 -0.001 0.000 0.199 181 M C 1.213 177.564 176.300 0.086 0.000 0.342 181 M CA 0.674 56.027 55.300 0.089 0.000 0.417 181 M CB -1.234 31.441 32.600 0.124 0.000 1.338 181 M HN 0.832 nan 8.290 nan 0.000 0.920 182 S N -1.125 114.618 115.700 0.072 0.000 2.447 182 S HA -0.097 4.373 4.470 -0.001 0.000 0.233 182 S C 1.566 176.198 174.600 0.053 0.000 1.006 182 S CA 1.032 59.269 58.200 0.063 0.000 0.957 182 S CB -0.125 63.109 63.200 0.056 0.000 0.773 182 S HN 0.745 nan 8.310 nan 0.000 0.507 183 R N 1.475 121.997 120.500 0.036 0.000 2.066 183 R HA 0.097 4.437 4.340 -0.001 0.000 0.232 183 R C 1.269 177.593 176.300 0.039 0.000 1.131 183 R CA 1.410 57.522 56.100 0.020 0.000 0.955 183 R CB -0.216 30.072 30.300 -0.020 0.000 0.851 183 R HN 0.497 nan 8.270 nan 0.000 0.432 184 A N -1.042 121.814 122.820 0.060 0.000 2.568 184 A HA 0.538 4.857 4.320 -0.001 0.000 0.287 184 A C -0.733 177.011 177.584 0.267 0.000 0.967 184 A CA -0.106 52.012 52.037 0.135 0.000 1.004 184 A CB 0.836 19.864 19.000 0.046 0.000 1.233 184 A HN 0.267 nan 8.150 nan 0.000 0.513 185 A N 0.637 123.576 122.820 0.198 0.000 2.414 185 A HA 0.819 5.139 4.320 -0.001 0.000 0.306 185 A C -3.201 174.471 177.584 0.147 0.000 1.054 185 A CA -1.737 50.420 52.037 0.202 0.000 0.724 185 A CB 0.906 20.030 19.000 0.206 0.000 1.267 185 A HN 0.090 nan 8.150 nan 0.000 0.418 186 P HA 0.207 nan 4.420 nan 0.000 0.267 186 P C 1.006 178.372 177.300 0.110 0.000 1.200 186 P CA 0.589 63.758 63.100 0.114 0.000 0.772 186 P CB 0.843 32.613 31.700 0.118 0.000 0.855 187 A N 2.928 125.797 122.820 0.082 0.000 1.948 187 A HA -0.197 4.123 4.320 -0.001 0.000 0.220 187 A C 2.033 179.663 177.584 0.078 0.000 1.177 187 A CA 2.381 54.458 52.037 0.066 0.000 0.636 187 A CB -1.826 17.197 19.000 0.039 0.000 0.815 187 A HN 0.549 nan 8.150 nan 0.000 0.449 188 T N -0.083 114.518 114.554 0.078 0.000 2.746 188 T HA -0.133 4.217 4.350 -0.001 0.000 0.267 188 T C 1.828 176.616 174.700 0.146 0.000 1.039 188 T CA 1.493 63.634 62.100 0.069 0.000 1.142 188 T CB -0.358 68.527 68.868 0.028 0.000 0.866 188 T HN 0.353 nan 8.240 nan 0.000 0.444 189 L N 1.566 122.912 121.223 0.205 0.000 2.017 189 L HA 0.078 4.417 4.340 -0.001 0.000 0.208 189 L C 2.619 179.668 176.870 0.298 0.000 1.073 189 L CA 2.016 57.044 54.840 0.313 0.000 0.745 189 L CB -1.127 41.086 42.059 0.255 0.000 0.894 189 L HN 0.214 nan 8.230 nan 0.000 0.432 190 A N -0.865 122.078 122.820 0.205 0.000 1.933 190 A HA -0.226 4.093 4.320 -0.001 0.000 0.218 190 A C 2.003 179.684 177.584 0.162 0.000 1.175 190 A CA 1.901 54.044 52.037 0.177 0.000 0.628 190 A CB -0.880 18.195 19.000 0.125 0.000 0.814 190 A HN 0.549 nan 8.150 nan 0.000 0.444 191 D N -1.127 119.352 120.400 0.132 0.000 2.097 191 D HA -0.131 4.508 4.640 -0.001 0.000 0.195 191 D C 1.608 178.008 176.300 0.167 0.000 0.989 191 D CA 1.282 55.341 54.000 0.098 0.000 0.827 191 D CB -0.466 40.373 40.800 0.066 0.000 0.966 191 D HN 0.443 nan 8.370 nan 0.000 0.456 192 F N 1.361 121.366 119.950 0.092 0.000 2.102 192 F HA -0.201 4.326 4.527 -0.001 0.000 0.298 192 F C 2.185 178.107 175.800 0.203 0.000 1.105 192 F CA 0.975 59.051 58.000 0.128 0.000 1.239 192 F CB -0.427 38.667 39.000 0.157 0.000 0.991 192 F HN -0.206 nan 8.300 nan 0.000 0.474 193 V N 0.538 120.551 119.914 0.165 0.000 2.407 193 V HA -0.313 3.807 4.120 -0.001 0.000 0.248 193 V C 2.738 178.971 176.094 0.230 0.000 1.055 193 V CA 1.758 64.148 62.300 0.150 0.000 1.049 193 V CB -1.553 30.440 31.823 0.283 0.000 0.662 193 V HN 0.501 nan 8.190 nan 0.000 0.455 194 A N 0.065 123.012 122.820 0.211 0.000 1.902 194 A HA -0.209 4.111 4.320 -0.001 0.000 0.217 194 A C 2.370 180.041 177.584 0.145 0.000 1.181 194 A CA 1.682 53.870 52.037 0.252 0.000 0.623 194 A CB -0.451 18.708 19.000 0.266 0.000 0.818 194 A HN 0.527 nan 8.150 nan 0.000 0.443 195 R N -2.084 118.437 120.500 0.035 0.000 2.096 195 R HA -0.149 4.191 4.340 -0.001 0.000 0.235 195 R C 2.177 178.416 176.300 -0.101 0.000 1.127 195 R CA 1.612 57.696 56.100 -0.026 0.000 0.968 195 R CB -0.622 29.661 30.300 -0.027 0.000 0.861 195 R HN 0.706 nan 8.270 nan 0.000 0.440 196 Y N 1.432 121.515 120.300 -0.361 0.000 2.114 196 Y HA -0.267 4.282 4.550 -0.001 0.000 0.284 196 Y C 2.426 178.174 175.900 -0.253 0.000 1.143 196 Y CA 1.665 59.526 58.100 -0.397 0.000 1.135 196 Y CB -0.395 37.703 38.460 -0.604 0.000 0.980 196 Y HN 0.098 nan 8.280 nan 0.000 0.499 197 H N -0.369 118.630 119.070 -0.118 0.000 2.353 197 H HA -0.105 4.450 4.556 -0.001 0.000 0.300 197 H C 2.352 177.579 175.328 -0.168 0.000 1.090 197 H CA 1.279 57.229 56.048 -0.164 0.000 1.327 197 H CB -0.659 29.111 29.762 0.013 0.000 1.383 197 H HN 0.533 nan 8.280 nan 0.000 0.508 198 A N 1.219 124.048 122.820 0.016 0.000 1.940 198 A HA -0.119 4.201 4.320 -0.001 0.000 0.219 198 A C 2.669 180.209 177.584 -0.073 0.000 1.176 198 A CA 1.737 53.771 52.037 -0.006 0.000 0.631 198 A CB -0.714 18.306 19.000 0.033 0.000 0.814 198 A HN 0.440 nan 8.150 nan 0.000 0.446 199 A N -1.480 121.253 122.820 -0.145 0.000 2.066 199 A HA -0.056 4.263 4.320 -0.001 0.000 0.218 199 A C 1.844 179.309 177.584 -0.199 0.000 1.157 199 A CA 1.280 53.224 52.037 -0.155 0.000 0.670 199 A CB -0.217 18.686 19.000 -0.162 0.000 0.804 199 A HN 0.448 nan 8.150 nan 0.000 0.453 200 Q N -1.189 118.429 119.800 -0.303 0.000 2.403 200 Q HA 0.196 4.536 4.340 -0.001 0.000 0.203 200 Q C 1.138 177.067 176.000 -0.117 0.000 0.932 200 Q CA 0.719 56.364 55.803 -0.263 0.000 0.945 200 Q CB 0.071 28.555 28.738 -0.424 0.000 1.045 200 Q HN 0.960 nan 8.270 nan 0.000 0.511 201 G N -0.095 108.658 108.800 -0.079 0.000 2.159 201 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.227 201 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.227 201 G C 0.132 175.030 174.900 -0.004 0.000 0.986 201 G CA 0.111 45.196 45.100 -0.025 0.000 0.651 201 G HN 0.215 nan 8.290 nan 0.000 0.523 202 V N 1.468 121.379 119.914 -0.004 0.000 2.521 202 V HA 0.358 4.478 4.120 -0.001 0.000 0.286 202 V C 0.558 176.644 176.094 -0.013 0.000 1.034 202 V CA 0.167 62.470 62.300 0.004 0.000 1.045 202 V CB 1.581 33.419 31.823 0.026 0.000 0.974 202 V HN 0.356 nan 8.190 nan 0.000 0.480 203 D N 5.503 125.886 120.400 -0.028 0.000 2.453 203 D HA 0.253 4.893 4.640 -0.001 0.000 0.223 203 D C -0.195 176.052 176.300 -0.088 0.000 1.183 203 D CA -0.129 53.846 54.000 -0.042 0.000 0.933 203 D CB 0.176 40.954 40.800 -0.036 0.000 1.038 203 D HN 0.425 nan 8.370 nan 0.000 0.513 204 L N 4.312 125.471 121.223 -0.107 0.000 2.319 204 L HA 0.387 4.727 4.340 -0.001 0.000 0.280 204 L C 0.718 177.416 176.870 -0.287 0.000 1.099 204 L CA -0.523 54.157 54.840 -0.266 0.000 0.828 204 L CB 0.699 42.589 42.059 -0.282 0.000 1.150 204 L HN 0.055 nan 8.230 nan 0.000 0.442 205 R N 4.379 124.652 120.500 -0.379 0.000 2.310 205 R HA 0.421 4.760 4.340 -0.001 0.000 0.316 205 R C -0.958 175.153 176.300 -0.315 0.000 1.004 205 R CA -0.409 55.548 56.100 -0.238 0.000 0.900 205 R CB 0.692 30.914 30.300 -0.130 0.000 1.152 205 R HN 0.320 nan 8.270 nan 0.000 0.513 206 F N 0.650 120.600 119.950 -0.001 0.000 2.378 206 F HA 0.169 4.695 4.527 -0.001 0.000 0.325 206 F C 1.213 177.014 175.800 0.002 0.000 1.097 206 F CA -0.411 57.590 58.000 0.002 0.000 1.079 206 F CB 0.856 39.860 39.000 0.007 0.000 1.240 206 F HN 0.509 nan 8.300 nan 0.000 0.519 207 E N 0.700 121.037 120.200 0.229 0.000 2.360 207 E HA -0.241 4.109 4.350 -0.001 0.000 0.238 207 E C -0.727 175.913 176.600 0.067 0.000 1.186 207 E CA 0.181 56.653 56.400 0.119 0.000 0.719 207 E CB -0.749 29.011 29.700 0.101 0.000 1.236 207 E HN 0.285 nan 8.360 nan 0.000 0.386 208 R N -0.217 120.309 120.500 0.043 0.000 2.750 208 R HA 0.592 4.932 4.340 -0.001 0.000 0.281 208 R C -0.464 175.835 176.300 -0.001 0.000 0.972 208 R CA -0.796 55.311 56.100 0.012 0.000 0.912 208 R CB 2.202 32.498 30.300 -0.008 0.000 1.187 208 R HN -0.065 nan 8.270 nan 0.000 0.464 209 S N 0.211 115.909 115.700 -0.003 0.000 2.542 209 S HA 0.422 4.892 4.470 -0.001 0.000 0.293 209 S C -0.460 174.132 174.600 -0.013 0.000 1.089 209 S CA -0.717 57.478 58.200 -0.007 0.000 0.961 209 S CB 2.408 65.607 63.200 -0.001 0.000 1.062 209 S HN 0.243 nan 8.310 nan 0.000 0.483 210 V N 3.194 123.097 119.914 -0.017 0.000 2.470 210 V HA 0.147 4.266 4.120 -0.001 0.000 0.276 210 V C 1.528 177.613 176.094 -0.014 0.000 1.040 210 V CA 0.281 62.570 62.300 -0.019 0.000 1.008 210 V CB 0.595 32.404 31.823 -0.023 0.000 0.990 210 V HN 1.151 nan 8.190 nan 0.000 0.477 211 T N 0.929 115.476 114.554 -0.013 0.000 3.044 211 T HA 0.519 4.868 4.350 -0.001 0.000 0.250 211 T C 0.762 175.454 174.700 -0.012 0.000 1.081 211 T CA 0.441 62.535 62.100 -0.011 0.000 1.040 211 T CB 0.479 69.342 68.868 -0.008 0.000 0.962 211 T HN 1.196 nan 8.240 nan 0.000 0.506 212 G N 0.688 109.479 108.800 -0.015 0.000 2.368 212 G HA2 0.439 4.398 3.960 -0.001 0.000 0.269 212 G HA3 0.439 4.398 3.960 -0.001 0.000 0.269 212 G C -1.461 173.428 174.900 -0.019 0.000 1.291 212 G CA -0.291 44.800 45.100 -0.016 0.000 0.903 212 G HN 1.102 nan 8.290 nan 0.000 0.483 213 S N -2.029 113.660 115.700 -0.019 0.000 2.547 213 S HA 0.770 5.239 4.470 -0.001 0.000 0.270 213 S C -1.588 173.001 174.600 -0.018 0.000 1.150 213 S CA -0.513 57.675 58.200 -0.020 0.000 0.850 213 S CB 1.935 65.120 63.200 -0.025 0.000 1.118 213 S HN 1.698 nan 8.310 nan 0.000 0.461 214 V N 1.720 121.624 119.914 -0.017 0.000 2.668 214 V HA 0.475 4.594 4.120 -0.001 0.000 0.304 214 V C -0.590 175.495 176.094 -0.015 0.000 1.071 214 V CA -0.402 61.889 62.300 -0.015 0.000 0.894 214 V CB 1.456 33.272 31.823 -0.012 0.000 1.008 214 V HN 1.194 nan 8.190 nan 0.000 0.425 215 D N 4.165 124.556 120.400 -0.014 0.000 2.779 215 D HA -0.172 4.468 4.640 -0.001 0.000 0.223 215 D C 1.239 177.531 176.300 -0.014 0.000 1.227 215 D CA 2.206 56.198 54.000 -0.013 0.000 0.653 215 D CB -0.872 39.922 40.800 -0.010 0.000 0.973 215 D HN 1.598 nan 8.370 nan 0.000 0.402 216 G N -1.088 107.702 108.800 -0.017 0.000 2.143 216 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.248 216 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.248 216 G C 0.225 175.115 174.900 -0.017 0.000 0.991 216 G CA 0.227 45.317 45.100 -0.018 0.000 0.689 216 G HN 0.834 nan 8.290 nan 0.000 0.522 217 V N 0.280 120.183 119.914 -0.018 0.000 2.588 217 V HA 0.640 4.760 4.120 -0.001 0.000 0.304 217 V C 0.399 176.481 176.094 -0.020 0.000 1.042 217 V CA -0.954 61.336 62.300 -0.018 0.000 0.877 217 V CB 2.088 33.901 31.823 -0.016 0.000 0.996 217 V HN 0.264 nan 8.190 nan 0.000 0.425 218 V N 5.948 125.848 119.914 -0.022 0.000 2.439 218 V HA 0.464 4.584 4.120 -0.001 0.000 0.282 218 V C -0.045 176.036 176.094 -0.021 0.000 1.039 218 V CA -0.465 61.820 62.300 -0.024 0.000 0.913 218 V CB 1.493 33.299 31.823 -0.028 0.000 0.983 218 V HN 0.615 nan 8.190 nan 0.000 0.460 219 L N 5.507 126.718 121.223 -0.020 0.000 2.309 219 L HA 0.613 4.952 4.340 -0.001 0.000 0.282 219 L C -0.765 176.095 176.870 -0.017 0.000 1.036 219 L CA -0.567 54.264 54.840 -0.017 0.000 0.806 219 L CB 1.442 43.492 42.059 -0.014 0.000 1.220 219 L HN 0.380 nan 8.230 nan 0.000 0.429 220 L N 1.155 122.369 121.223 -0.015 0.000 2.303 220 L HA 0.342 4.681 4.340 -0.001 0.000 0.266 220 L C 0.860 177.725 176.870 -0.008 0.000 1.011 220 L CA -0.357 54.475 54.840 -0.013 0.000 0.818 220 L CB 1.134 43.184 42.059 -0.016 0.000 1.326 220 L HN 0.589 nan 8.230 nan 0.000 0.435 221 D N -0.853 119.544 120.400 -0.005 0.000 2.348 221 D HA -0.172 4.467 4.640 -0.001 0.000 0.216 221 D C 0.790 177.091 176.300 0.001 0.000 0.970 221 D CA 0.816 54.815 54.000 -0.001 0.000 0.889 221 D CB -0.313 40.488 40.800 0.001 0.000 0.912 221 D HN 0.644 nan 8.370 nan 0.000 0.524 222 D N -0.535 119.865 120.400 0.001 0.000 2.349 222 D HA 0.114 4.754 4.640 -0.001 0.000 0.224 222 D C 1.629 177.929 176.300 0.000 0.000 1.029 222 D CA 0.553 54.555 54.000 0.003 0.000 0.879 222 D CB -0.477 40.326 40.800 0.006 0.000 0.906 222 D HN 0.317 nan 8.370 nan 0.000 0.528 223 G N 0.076 108.874 108.800 -0.003 0.000 2.136 223 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.242 223 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.242 223 G C 0.406 175.302 174.900 -0.006 0.000 0.989 223 G CA 0.656 45.754 45.100 -0.004 0.000 0.682 223 G HN 0.813 nan 8.290 nan 0.000 0.522 224 T N -2.767 111.782 114.554 -0.007 0.000 2.870 224 T HA 0.855 5.205 4.350 -0.001 0.000 0.277 224 T C 0.037 174.729 174.700 -0.013 0.000 1.000 224 T CA -0.735 61.359 62.100 -0.010 0.000 0.982 224 T CB 2.153 71.015 68.868 -0.010 0.000 1.249 224 T HN 0.465 nan 8.240 nan 0.000 0.589 225 R N -0.654 119.837 120.500 -0.015 0.000 2.795 225 R HA 0.745 5.085 4.340 -0.001 0.000 0.275 225 R C -1.137 175.150 176.300 -0.021 0.000 0.981 225 R CA -0.788 55.301 56.100 -0.018 0.000 0.917 225 R CB 2.035 32.325 30.300 -0.016 0.000 1.202 225 R HN 0.599 nan 8.270 nan 0.000 0.469 226 I N 1.605 122.161 120.570 -0.023 0.000 2.497 226 I HA 0.359 4.528 4.170 -0.001 0.000 0.284 226 I C -0.413 175.690 176.117 -0.023 0.000 1.060 226 I CA -0.734 60.551 61.300 -0.025 0.000 1.071 226 I CB 2.087 40.069 38.000 -0.030 0.000 1.216 226 I HN 0.676 nan 8.210 nan 0.000 0.442 227 A N 5.153 127.960 122.820 -0.021 0.000 2.401 227 A HA 0.852 5.172 4.320 -0.001 0.000 0.259 227 A C -0.016 177.560 177.584 -0.013 0.000 1.103 227 A CA -0.014 52.013 52.037 -0.017 0.000 0.789 227 A CB 0.523 19.513 19.000 -0.017 0.000 1.035 227 A HN 0.853 nan 8.150 nan 0.000 0.491 228 A N 1.626 124.439 122.820 -0.010 0.000 2.572 228 A HA 0.625 4.944 4.320 -0.001 0.000 0.295 228 A C -0.076 177.507 177.584 -0.001 0.000 1.072 228 A CA -0.531 51.504 52.037 -0.003 0.000 0.691 228 A CB 0.934 19.928 19.000 -0.009 0.000 1.291 228 A HN 0.655 nan 8.150 nan 0.000 0.404 229 D N 0.260 120.666 120.400 0.009 0.000 2.323 229 D HA 0.112 4.751 4.640 -0.001 0.000 0.209 229 D C 0.213 176.517 176.300 0.006 0.000 0.973 229 D CA 1.353 55.360 54.000 0.011 0.000 0.874 229 D CB 0.356 41.169 40.800 0.022 0.000 0.930 229 D HN 0.549 nan 8.370 nan 0.000 0.521 230 M N 0.428 120.029 119.600 0.003 0.000 2.426 230 M HA 0.207 4.687 4.480 -0.001 0.000 0.289 230 M C -2.315 173.976 176.300 -0.015 0.000 1.168 230 M CA -0.480 54.818 55.300 -0.004 0.000 0.933 230 M CB 2.517 35.146 32.600 0.049 0.000 1.750 230 M HN -0.423 nan 8.290 nan 0.000 0.494 231 V N 4.066 123.951 119.914 -0.048 0.000 2.448 231 V HA 0.591 4.710 4.120 -0.001 0.000 0.295 231 V C -0.707 175.374 176.094 -0.021 0.000 1.025 231 V CA -0.714 61.562 62.300 -0.040 0.000 0.859 231 V CB 1.703 33.492 31.823 -0.057 0.000 0.988 231 V HN 0.647 nan 8.190 nan 0.000 0.431 232 V N 5.577 125.497 119.914 0.010 0.000 2.384 232 V HA 0.412 4.532 4.120 -0.001 0.000 0.287 232 V C -0.113 175.985 176.094 0.007 0.000 1.020 232 V CA -0.558 61.764 62.300 0.036 0.000 0.850 232 V CB 1.956 33.809 31.823 0.051 0.000 0.987 232 V HN 0.626 nan 8.190 nan 0.000 0.436 233 V N 4.097 124.016 119.914 0.009 0.000 2.383 233 V HA 0.659 4.779 4.120 -0.001 0.000 0.275 233 V C 0.831 176.922 176.094 -0.004 0.000 1.036 233 V CA -0.019 62.277 62.300 -0.006 0.000 0.889 233 V CB 1.474 33.292 31.823 -0.010 0.000 0.985 233 V HN 0.983 nan 8.190 nan 0.000 0.459 234 G N 4.891 113.682 108.800 -0.016 0.000 4.465 234 G HA2 0.445 4.405 3.960 -0.001 0.000 0.330 234 G HA3 0.445 4.405 3.960 -0.001 0.000 0.330 234 G C 0.154 175.038 174.900 -0.028 0.000 1.475 234 G CA -0.222 44.865 45.100 -0.022 0.000 0.955 234 G HN 0.864 nan 8.290 nan 0.000 0.516 235 I N -0.732 119.824 120.570 -0.024 0.000 3.877 235 I HA 0.609 4.779 4.170 -0.001 0.000 0.332 235 I C 0.654 176.756 176.117 -0.025 0.000 1.525 235 I CA -0.159 61.128 61.300 -0.023 0.000 1.146 235 I CB 0.136 38.125 38.000 -0.019 0.000 1.137 235 I HN 0.470 nan 8.210 nan 0.000 0.424 236 G N 1.325 110.106 108.800 -0.032 0.000 2.525 236 G HA2 0.082 4.041 3.960 -0.001 0.000 0.685 236 G HA3 0.082 4.041 3.960 -0.001 0.000 0.685 236 G C -0.812 174.066 174.900 -0.036 0.000 1.290 236 G CA -0.430 44.647 45.100 -0.039 0.000 0.915 236 G HN 0.845 nan 8.290 nan 0.000 0.548 237 V N -2.382 117.506 119.914 -0.042 0.000 3.126 237 V HA 0.941 5.060 4.120 -0.001 0.000 0.314 237 V C 0.073 176.143 176.094 -0.040 0.000 1.138 237 V CA -1.314 60.962 62.300 -0.040 0.000 1.034 237 V CB 1.964 33.757 31.823 -0.049 0.000 1.075 237 V HN 1.106 nan 8.190 nan 0.000 0.442 238 L N 2.002 123.203 121.223 -0.037 0.000 2.365 238 L HA 0.822 5.162 4.340 -0.001 0.000 0.273 238 L C 0.591 177.433 176.870 -0.046 0.000 1.000 238 L CA -0.858 53.959 54.840 -0.039 0.000 0.819 238 L CB 1.869 43.910 42.059 -0.030 0.000 1.284 238 L HN 1.031 nan 8.230 nan 0.000 0.418 239 A N 2.278 125.064 122.820 -0.057 0.000 2.531 239 A HA 0.087 4.407 4.320 -0.001 0.000 0.236 239 A C 0.175 177.729 177.584 -0.051 0.000 1.062 239 A CA 0.029 52.027 52.037 -0.065 0.000 0.760 239 A CB -0.319 18.629 19.000 -0.087 0.000 0.995 239 A HN 0.881 nan 8.150 nan 0.000 0.501 240 N N 1.371 120.042 118.700 -0.048 0.000 3.178 240 N HA 0.152 4.892 4.740 -0.001 0.000 0.300 240 N C -0.496 174.996 175.510 -0.030 0.000 1.242 240 N CA 0.019 53.048 53.050 -0.034 0.000 1.192 240 N CB 0.349 38.816 38.487 -0.033 0.000 1.463 240 N HN 0.685 nan 8.380 nan 0.000 0.539 241 D N -0.329 120.054 120.400 -0.029 0.000 2.424 241 D HA 0.097 4.736 4.640 -0.001 0.000 0.220 241 D C 1.290 177.590 176.300 0.001 0.000 1.150 241 D CA -0.401 53.587 54.000 -0.019 0.000 0.831 241 D CB 0.019 40.792 40.800 -0.045 0.000 0.981 241 D HN 0.210 nan 8.370 nan 0.000 0.500 242 A N 0.483 123.303 122.820 0.001 0.000 1.940 242 A HA -0.108 4.211 4.320 -0.001 0.000 0.219 242 A C 1.947 179.533 177.584 0.004 0.000 1.176 242 A CA 0.984 53.020 52.037 -0.001 0.000 0.631 242 A CB -0.523 18.475 19.000 -0.003 0.000 0.814 242 A HN 0.272 nan 8.150 nan 0.000 0.446 243 L N -0.601 120.648 121.223 0.044 0.000 2.093 243 L HA -0.050 4.290 4.340 -0.001 0.000 0.208 243 L C 2.961 179.860 176.870 0.049 0.000 1.085 243 L CA 1.733 56.613 54.840 0.066 0.000 0.755 243 L CB -0.822 41.373 42.059 0.227 0.000 0.904 243 L HN 0.381 nan 8.230 nan 0.000 0.435 244 A N -0.554 122.361 122.820 0.158 0.000 1.902 244 A HA -0.204 4.115 4.320 -0.001 0.000 0.217 244 A C 2.456 180.053 177.584 0.021 0.000 1.181 244 A CA 1.511 53.644 52.037 0.161 0.000 0.623 244 A CB -0.434 18.644 19.000 0.130 0.000 0.818 244 A HN 0.335 nan 8.150 nan 0.000 0.443 245 R N -0.544 119.955 120.500 -0.001 0.000 2.083 245 R HA -0.114 4.225 4.340 -0.001 0.000 0.237 245 R C 2.482 178.748 176.300 -0.057 0.000 1.137 245 R CA 1.329 57.418 56.100 -0.018 0.000 0.951 245 R CB -0.511 29.780 30.300 -0.014 0.000 0.851 245 R HN 0.509 nan 8.270 nan 0.000 0.434 246 A N 1.075 123.841 122.820 -0.090 0.000 1.933 246 A HA -0.059 4.260 4.320 -0.001 0.000 0.218 246 A C 2.189 179.659 177.584 -0.192 0.000 1.175 246 A CA 1.626 53.588 52.037 -0.124 0.000 0.628 246 A CB -0.405 18.517 19.000 -0.128 0.000 0.814 246 A HN 0.403 nan 8.150 nan 0.000 0.444 247 A N -2.024 120.611 122.820 -0.308 0.000 2.238 247 A HA 0.418 4.738 4.320 -0.001 0.000 0.208 247 A C 1.686 179.157 177.584 -0.189 0.000 1.177 247 A CA 1.196 52.984 52.037 -0.414 0.000 0.804 247 A CB -0.769 17.603 19.000 -1.047 0.000 0.823 247 A HN 1.867 nan 8.150 nan 0.000 0.482 248 G N -1.783 106.956 108.800 -0.102 0.000 2.144 248 G HA2 -0.145 3.815 3.960 -0.001 0.000 0.218 248 G HA3 -0.145 3.815 3.960 -0.001 0.000 0.218 248 G C -0.161 174.742 174.900 0.004 0.000 0.988 248 G CA 0.057 45.133 45.100 -0.040 0.000 0.659 248 G HN 0.305 nan 8.290 nan 0.000 0.522 249 L N 1.190 122.431 121.223 0.030 0.000 2.417 249 L HA 0.692 5.032 4.340 -0.001 0.000 0.268 249 L C 1.272 178.192 176.870 0.083 0.000 1.158 249 L CA 0.394 55.276 54.840 0.070 0.000 0.819 249 L CB 0.902 43.026 42.059 0.109 0.000 1.112 249 L HN 0.533 nan 8.230 nan 0.000 0.458 250 A N 2.401 125.290 122.820 0.115 0.000 2.484 250 A HA 0.437 4.756 4.320 -0.001 0.000 0.268 250 A C 0.004 177.785 177.584 0.330 0.000 1.114 250 A CA -0.190 51.969 52.037 0.204 0.000 0.780 250 A CB -0.917 18.189 19.000 0.176 0.000 1.061 250 A HN 0.872 nan 8.150 nan 0.000 0.505 251 C N 0.866 120.314 119.300 0.246 0.000 3.173 251 C HA 0.896 5.356 4.460 -0.001 0.000 0.310 251 C C -0.931 174.098 174.990 0.066 0.000 1.306 251 C CA -0.759 58.287 59.018 0.048 0.000 1.426 251 C CB 1.811 29.532 27.740 -0.031 0.000 1.800 251 C HN 0.798 nan 8.230 nan 0.000 0.470 252 D N 1.140 121.452 120.400 -0.146 0.000 2.584 252 D HA 0.248 4.887 4.640 -0.001 0.000 0.238 252 D C -0.409 175.817 176.300 -0.124 0.000 1.302 252 D CA 0.370 54.350 54.000 -0.034 0.000 0.884 252 D CB 0.299 41.196 40.800 0.162 0.000 1.456 252 D HN 0.956 nan 8.370 nan 0.000 0.528 253 D N 2.439 122.785 120.400 -0.090 0.000 2.737 253 D HA -0.004 4.635 4.640 -0.001 0.000 0.238 253 D C -0.064 176.146 176.300 -0.151 0.000 1.157 253 D CA 2.265 56.210 54.000 -0.091 0.000 0.694 253 D CB -1.067 39.698 40.800 -0.058 0.000 1.021 253 D HN 0.889 nan 8.370 nan 0.000 0.420 254 G N -0.266 108.420 108.800 -0.190 0.000 2.351 254 G HA2 0.200 4.159 3.960 -0.001 0.000 0.472 254 G HA3 0.200 4.159 3.960 -0.001 0.000 0.472 254 G C -0.408 174.276 174.900 -0.359 0.000 1.570 254 G CA -0.511 44.443 45.100 -0.243 0.000 0.921 254 G HN 0.408 nan 8.290 nan 0.000 0.674 255 I N 1.523 121.948 120.570 -0.240 0.000 2.371 255 I HA 0.333 4.503 4.170 -0.001 0.000 0.290 255 I C 0.236 176.259 176.117 -0.156 0.000 1.028 255 I CA -0.469 60.728 61.300 -0.171 0.000 1.345 255 I CB 0.624 38.586 38.000 -0.063 0.000 1.407 255 I HN 0.338 nan 8.210 nan 0.000 0.501 256 F N 6.534 126.525 119.950 0.068 0.000 2.504 256 F HA 0.315 4.841 4.527 -0.001 0.000 0.369 256 F C 0.539 176.417 175.800 0.129 0.000 1.082 256 F CA -0.256 57.827 58.000 0.138 0.000 1.216 256 F CB 0.705 39.732 39.000 0.045 0.000 1.108 256 F HN 0.214 nan 8.300 nan 0.000 0.554 257 V N -0.030 120.113 119.914 0.382 0.000 3.040 257 V HA 0.664 4.783 4.120 -0.001 0.000 0.312 257 V C -0.842 175.422 176.094 0.283 0.000 1.115 257 V CA -1.136 61.303 62.300 0.233 0.000 0.998 257 V CB 1.887 33.774 31.823 0.106 0.000 1.042 257 V HN 0.633 nan 8.190 nan 0.000 0.433 258 D N 2.537 123.037 120.400 0.167 0.000 2.507 258 D HA 0.590 5.229 4.640 -0.001 0.000 0.280 258 D C 1.097 177.391 176.300 -0.009 0.000 1.219 258 D CA -0.023 54.037 54.000 0.101 0.000 1.085 258 D CB 0.885 41.699 40.800 0.023 0.000 1.134 258 D HN 0.839 nan 8.370 nan 0.000 0.583 259 A N -1.550 121.162 122.820 -0.180 0.000 2.209 259 A HA -0.025 4.294 4.320 -0.001 0.000 0.212 259 A C 1.264 178.749 177.584 -0.165 0.000 1.158 259 A CA 0.510 52.434 52.037 -0.187 0.000 0.742 259 A CB -1.036 17.790 19.000 -0.290 0.000 0.790 259 A HN 0.587 nan 8.150 nan 0.000 0.472 260 Y N -1.368 118.940 120.300 0.013 0.000 2.457 260 Y HA 0.326 4.876 4.550 -0.001 0.000 0.263 260 Y C 1.841 177.859 175.900 0.196 0.000 1.164 260 Y CA 0.075 58.178 58.100 0.006 0.000 1.274 260 Y CB 0.331 38.760 38.460 -0.052 0.000 1.097 260 Y HN 0.423 nan 8.280 nan 0.000 0.523 261 G N 1.356 110.304 108.800 0.246 0.000 2.162 261 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.260 261 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.260 261 G C 0.160 175.181 174.900 0.201 0.000 0.976 261 G CA -0.311 44.926 45.100 0.229 0.000 0.655 261 G HN 0.348 nan 8.290 nan 0.000 0.533 262 R N 1.188 121.743 120.500 0.092 0.000 2.491 262 R HA 0.465 4.804 4.340 -0.001 0.000 0.283 262 R C 1.309 177.546 176.300 -0.105 0.000 1.072 262 R CA 0.517 56.479 56.100 -0.229 0.000 1.048 262 R CB 0.519 30.732 30.300 -0.144 0.000 0.983 262 R HN 0.440 nan 8.270 nan 0.000 0.450 263 T N -2.052 112.401 114.554 -0.168 0.000 2.814 263 T HA 0.048 4.398 4.350 -0.001 0.000 0.284 263 T C 1.535 176.216 174.700 -0.032 0.000 0.998 263 T CA -0.277 61.797 62.100 -0.044 0.000 0.935 263 T CB 1.058 69.904 68.868 -0.035 0.000 1.167 263 T HN 0.667 nan 8.240 nan 0.000 0.545 264 T N -2.582 111.982 114.554 0.017 0.000 3.160 264 T HA 0.064 4.413 4.350 -0.001 0.000 0.257 264 T C 0.836 175.539 174.700 0.005 0.000 1.147 264 T CA -0.201 61.905 62.100 0.009 0.000 1.064 264 T CB -1.084 67.795 68.868 0.019 0.000 0.949 264 T HN 0.686 nan 8.240 nan 0.000 0.526 265 C N 3.391 122.694 119.300 0.005 0.000 2.264 265 C HA 0.567 5.027 4.460 -0.001 0.000 0.324 265 C C -2.572 172.416 174.990 -0.003 0.000 1.267 265 C CA -2.721 56.313 59.018 0.027 0.000 1.618 265 C CB 0.045 27.840 27.740 0.092 0.000 2.278 265 C HN 0.270 nan 8.230 nan 0.000 0.499 266 P HA 0.091 nan 4.420 nan 0.000 0.263 266 P C 0.131 177.482 177.300 0.084 0.000 1.175 266 P CA 1.361 64.485 63.100 0.040 0.000 0.761 266 P CB 0.296 32.045 31.700 0.081 0.000 0.794 267 D N -0.537 119.915 120.400 0.086 0.000 3.028 267 D HA -0.127 4.512 4.640 -0.001 0.000 0.207 267 D C -0.471 175.918 176.300 0.148 0.000 1.100 267 D CA 0.834 54.969 54.000 0.225 0.000 0.995 267 D CB -1.498 39.548 40.800 0.410 0.000 1.108 267 D HN 0.139 nan 8.370 nan 0.000 0.421 268 V N 1.036 120.909 119.914 -0.070 0.000 2.448 268 V HA 0.499 4.618 4.120 -0.001 0.000 0.295 268 V C -0.139 175.789 176.094 -0.277 0.000 1.025 268 V CA -0.709 61.494 62.300 -0.162 0.000 0.859 268 V CB 1.503 33.215 31.823 -0.184 0.000 0.988 268 V HN -0.039 nan 8.190 nan 0.000 0.431 269 Y N 2.094 122.283 120.300 -0.185 0.000 2.587 269 Y HA 0.878 5.427 4.550 -0.001 0.000 0.337 269 Y C 0.374 176.143 175.900 -0.219 0.000 1.065 269 Y CA -0.657 57.349 58.100 -0.156 0.000 1.126 269 Y CB 2.212 40.572 38.460 -0.167 0.000 1.279 269 Y HN 0.752 nan 8.280 nan 0.000 0.489 270 A N 1.529 124.336 122.820 -0.022 0.000 2.572 270 A HA 0.929 5.249 4.320 -0.001 0.000 0.295 270 A C -1.992 175.518 177.584 -0.124 0.000 1.072 270 A CA -0.698 51.271 52.037 -0.113 0.000 0.691 270 A CB 1.406 20.350 19.000 -0.094 0.000 1.291 270 A HN 0.753 nan 8.150 nan 0.000 0.404 271 L N -1.457 119.659 121.223 -0.179 0.000 2.622 271 L HA 0.989 5.329 4.340 -0.001 0.000 0.258 271 L C 0.359 177.122 176.870 -0.178 0.000 0.996 271 L CA 0.178 54.907 54.840 -0.185 0.000 0.858 271 L CB 1.164 43.085 42.059 -0.229 0.000 1.449 271 L HN 2.532 nan 8.230 nan 0.000 0.411 272 G N 0.592 109.286 108.800 -0.177 0.000 2.568 272 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.222 272 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.222 272 G C -0.006 174.813 174.900 -0.135 0.000 1.321 272 G CA 0.418 45.420 45.100 -0.164 0.000 0.893 272 G HN 0.856 nan 8.290 nan 0.000 0.569 273 D N -0.604 119.721 120.400 -0.125 0.000 2.221 273 D HA -0.018 4.622 4.640 -0.001 0.000 0.204 273 D C 2.394 178.632 176.300 -0.103 0.000 0.982 273 D CA 1.312 55.247 54.000 -0.108 0.000 0.857 273 D CB -0.078 40.663 40.800 -0.100 0.000 0.934 273 D HN 0.487 nan 8.370 nan 0.000 0.475 274 V N 0.602 120.452 119.914 -0.107 0.000 3.141 274 V HA -0.052 4.067 4.120 -0.001 0.000 0.265 274 V C 0.789 176.814 176.094 -0.114 0.000 1.126 274 V CA 1.241 63.479 62.300 -0.103 0.000 1.141 274 V CB -0.476 31.290 31.823 -0.096 0.000 0.743 274 V HN 0.294 nan 8.190 nan 0.000 0.492 275 T N -0.168 114.319 114.554 -0.112 0.000 2.909 275 T HA 0.450 4.800 4.350 -0.001 0.000 0.286 275 T C -0.128 174.505 174.700 -0.111 0.000 1.002 275 T CA -0.752 61.284 62.100 -0.105 0.000 1.074 275 T CB 1.228 70.047 68.868 -0.080 0.000 0.984 275 T HN 0.335 nan 8.240 nan 0.000 0.495 276 R N 2.660 123.088 120.500 -0.120 0.000 2.295 276 R HA 0.418 4.758 4.340 -0.001 0.000 0.324 276 R C -0.039 176.305 176.300 0.073 0.000 0.968 276 R CA -0.625 55.447 56.100 -0.047 0.000 0.837 276 R CB 1.520 31.700 30.300 -0.201 0.000 1.133 276 R HN 0.885 nan 8.270 nan 0.000 0.450 277 Q N 1.481 121.148 119.800 -0.222 0.000 2.553 277 Q HA 0.415 4.755 4.340 -0.001 0.000 0.293 277 Q C -0.929 174.368 176.000 -1.172 0.000 1.038 277 Q CA -1.199 54.188 55.803 -0.695 0.000 0.777 277 Q CB 1.930 30.509 28.738 -0.264 0.000 1.487 277 Q HN 0.371 nan 8.270 nan 0.000 0.426 278 R N 1.544 121.223 120.500 -1.367 0.000 2.401 278 R HA 0.092 4.432 4.340 -0.001 0.000 0.299 278 R C -0.671 175.440 176.300 -0.316 0.000 1.064 278 R CA -0.164 55.474 56.100 -0.769 0.000 1.000 278 R CB 0.487 30.564 30.300 -0.370 0.000 0.973 278 R HN 0.662 nan 8.270 nan 0.000 0.438 279 N N 6.449 125.044 118.700 -0.174 0.000 2.406 279 N HA 0.109 4.848 4.740 -0.001 0.000 0.251 279 N C -1.900 173.577 175.510 -0.055 0.000 1.069 279 N CA -2.174 50.827 53.050 -0.081 0.000 0.947 279 N CB 1.493 39.964 38.487 -0.027 0.000 1.111 279 N HN 0.450 nan 8.380 nan 0.000 0.497 280 P HA -0.105 nan 4.420 nan 0.000 0.222 280 P C 1.435 178.722 177.300 -0.021 0.000 1.147 280 P CA 0.880 63.948 63.100 -0.052 0.000 0.790 280 P CB 0.613 32.264 31.700 -0.081 0.000 0.780 281 L N -0.007 121.211 121.223 -0.009 0.000 2.095 281 L HA -0.073 4.267 4.340 -0.001 0.000 0.204 281 L C 2.683 179.564 176.870 0.018 0.000 1.080 281 L CA 1.942 56.787 54.840 0.009 0.000 0.759 281 L CB -0.837 41.236 42.059 0.023 0.000 0.914 281 L HN 0.077 nan 8.230 nan 0.000 0.439 282 S N -0.983 114.731 115.700 0.023 0.000 2.478 282 S HA 0.087 4.557 4.470 -0.001 0.000 0.222 282 S C 1.653 176.275 174.600 0.037 0.000 1.008 282 S CA 0.436 58.655 58.200 0.033 0.000 0.928 282 S CB 0.254 63.478 63.200 0.041 0.000 0.781 282 S HN 0.487 nan 8.310 nan 0.000 0.518 283 G N 1.748 110.566 108.800 0.031 0.000 2.168 283 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.257 283 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.257 283 G C 0.034 174.991 174.900 0.095 0.000 0.997 283 G CA 0.242 45.370 45.100 0.048 0.000 0.708 283 G HN 0.525 nan 8.290 nan 0.000 0.520 284 R N -0.974 119.584 120.500 0.096 0.000 2.720 284 R HA 0.680 5.020 4.340 -0.001 0.000 0.272 284 R C -0.235 176.186 176.300 0.202 0.000 0.991 284 R CA -1.456 54.742 56.100 0.164 0.000 1.010 284 R CB 0.391 30.763 30.300 0.120 0.000 1.141 284 R HN 0.032 nan 8.270 nan 0.000 0.494 285 F N 1.223 121.214 119.950 0.068 0.000 2.412 285 F HA 0.240 4.767 4.527 -0.001 0.000 0.348 285 F C 0.642 176.495 175.800 0.088 0.000 1.102 285 F CA 0.400 58.462 58.000 0.104 0.000 1.196 285 F CB 0.767 39.881 39.000 0.191 0.000 1.144 285 F HN 0.301 nan 8.300 nan 0.000 0.541 286 E N 1.519 121.771 120.200 0.086 0.000 2.372 286 E HA 0.292 4.642 4.350 -0.001 0.000 0.279 286 E C -1.172 175.421 176.600 -0.011 0.000 0.946 286 E CA -1.234 55.193 56.400 0.044 0.000 0.769 286 E CB 2.183 31.891 29.700 0.014 0.000 1.230 286 E HN 0.376 nan 8.360 nan 0.000 0.442 287 R N 2.472 122.959 120.500 -0.022 0.000 2.242 287 R HA 0.280 4.619 4.340 -0.001 0.000 0.334 287 R C -0.672 175.595 176.300 -0.056 0.000 1.071 287 R CA -0.046 56.020 56.100 -0.057 0.000 0.922 287 R CB 0.126 30.384 30.300 -0.070 0.000 1.023 287 R HN 0.426 nan 8.270 nan 0.000 0.458 288 I N 4.823 125.358 120.570 -0.059 0.000 2.297 288 I HA 0.110 4.280 4.170 -0.001 0.000 0.291 288 I C 0.225 176.299 176.117 -0.072 0.000 1.033 288 I CA -0.008 61.263 61.300 -0.049 0.000 1.253 288 I CB 1.562 39.553 38.000 -0.015 0.000 1.396 288 I HN 0.647 nan 8.210 nan 0.000 0.476 289 E N 3.779 123.922 120.200 -0.096 0.000 2.496 289 E HA 0.065 4.415 4.350 -0.001 0.000 0.202 289 E C 0.158 176.682 176.600 -0.128 0.000 1.021 289 E CA -0.245 56.088 56.400 -0.112 0.000 1.015 289 E CB 0.514 30.142 29.700 -0.121 0.000 1.102 289 E HN 0.690 nan 8.360 nan 0.000 0.452 290 T N -3.210 111.278 114.554 -0.111 0.000 2.899 290 T HA 0.071 4.421 4.350 -0.001 0.000 0.284 290 T C 0.635 175.323 174.700 -0.020 0.000 1.004 290 T CA -0.791 61.249 62.100 -0.101 0.000 1.043 290 T CB 1.383 70.196 68.868 -0.093 0.000 1.013 290 T HN 0.358 nan 8.240 nan 0.000 0.518 291 W N 1.755 122.959 121.300 -0.159 0.000 2.338 291 W HA -0.173 4.487 4.660 -0.000 0.000 0.304 291 W C 2.609 179.099 176.519 -0.049 0.000 1.212 291 W CA 2.160 59.487 57.345 -0.031 0.000 1.264 291 W CB -0.377 29.196 29.460 0.187 0.000 1.142 291 W HN 0.887 nan 8.180 nan 0.000 0.512 292 S N -0.244 115.578 115.700 0.204 0.000 2.399 292 S HA -0.285 4.184 4.470 -0.001 0.000 0.231 292 S C 1.628 176.203 174.600 -0.042 0.000 1.022 292 S CA 1.541 59.754 58.200 0.022 0.000 0.983 292 S CB -1.064 61.817 63.200 -0.532 0.000 0.803 292 S HN 0.513 nan 8.310 nan 0.000 0.480 293 N N 2.471 121.133 118.700 -0.063 0.000 2.084 293 N HA -0.003 4.737 4.740 -0.001 0.000 0.190 293 N C 1.863 177.270 175.510 -0.173 0.000 1.030 293 N CA 1.608 54.634 53.050 -0.041 0.000 0.849 293 N CB -0.782 37.691 38.487 -0.024 0.000 1.012 293 N HN 0.488 nan 8.380 nan 0.000 0.423 294 A N 0.315 123.008 122.820 -0.212 0.000 1.883 294 A HA -0.260 4.059 4.320 -0.001 0.000 0.217 294 A C 2.199 179.602 177.584 -0.302 0.000 1.186 294 A CA 1.896 53.774 52.037 -0.265 0.000 0.624 294 A CB -1.047 17.776 19.000 -0.295 0.000 0.822 294 A HN 0.614 nan 8.150 nan 0.000 0.444 295 Q N -0.712 118.847 119.800 -0.401 0.000 2.016 295 Q HA -0.196 4.143 4.340 -0.001 0.000 0.200 295 Q C 1.778 177.675 176.000 -0.172 0.000 0.978 295 Q CA 1.768 57.366 55.803 -0.341 0.000 0.833 295 Q CB -0.169 28.262 28.738 -0.511 0.000 0.895 295 Q HN 0.654 nan 8.270 nan 0.000 0.427 296 N N 0.302 118.941 118.700 -0.102 0.000 2.216 296 N HA -0.156 4.584 4.740 -0.001 0.000 0.183 296 N C 1.588 176.947 175.510 -0.251 0.000 1.017 296 N CA 1.010 54.067 53.050 0.012 0.000 0.861 296 N CB -0.270 38.386 38.487 0.282 0.000 0.986 296 N HN 0.367 nan 8.380 nan 0.000 0.428 297 Q N 0.451 119.854 119.800 -0.661 0.000 2.079 297 Q HA -0.061 4.279 4.340 -0.001 0.000 0.200 297 Q C 1.897 177.665 176.000 -0.386 0.000 0.974 297 Q CA 1.568 56.754 55.803 -1.028 0.000 0.840 297 Q CB -0.273 27.925 28.738 -0.900 0.000 0.898 297 Q HN 0.361 nan 8.270 nan 0.000 0.430 298 G N 1.066 109.736 108.800 -0.217 0.000 2.418 298 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.217 298 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.217 298 G C 1.396 176.345 174.900 0.082 0.000 1.158 298 G CA 0.905 45.996 45.100 -0.015 0.000 0.771 298 G HN 0.354 nan 8.290 nan 0.000 0.545 299 I N 1.315 121.883 120.570 -0.004 0.000 2.202 299 I HA -0.143 4.026 4.170 -0.001 0.000 0.242 299 I C 3.293 179.440 176.117 0.050 0.000 1.091 299 I CA 0.958 62.268 61.300 0.018 0.000 1.368 299 I CB -0.215 37.800 38.000 0.024 0.000 1.058 299 I HN 0.241 nan 8.210 nan 0.000 0.410 300 A N 0.408 123.260 122.820 0.053 0.000 1.902 300 A HA -0.146 4.174 4.320 -0.001 0.000 0.217 300 A C 2.423 180.104 177.584 0.161 0.000 1.181 300 A CA 1.737 53.856 52.037 0.137 0.000 0.623 300 A CB -0.928 18.221 19.000 0.248 0.000 0.818 300 A HN 0.245 nan 8.150 nan 0.000 0.443 301 V N -0.169 119.826 119.914 0.134 0.000 2.358 301 V HA -0.229 3.890 4.120 -0.001 0.000 0.246 301 V C 3.055 179.280 176.094 0.218 0.000 1.047 301 V CA 1.870 64.290 62.300 0.201 0.000 1.035 301 V CB -1.288 30.625 31.823 0.150 0.000 0.658 301 V HN 0.615 nan 8.190 nan 0.000 0.452 302 A N 0.515 123.453 122.820 0.197 0.000 1.883 302 A HA -0.281 4.039 4.320 -0.001 0.000 0.217 302 A C 2.312 179.837 177.584 -0.097 0.000 1.186 302 A CA 2.298 54.253 52.037 -0.136 0.000 0.624 302 A CB -0.567 18.142 19.000 -0.485 0.000 0.822 302 A HN 0.457 nan 8.150 nan 0.000 0.444 303 R N -0.481 120.016 120.500 -0.006 0.000 2.091 303 R HA -0.176 4.164 4.340 -0.001 0.000 0.238 303 R C 2.150 178.470 176.300 0.033 0.000 1.136 303 R CA 2.261 58.369 56.100 0.013 0.000 0.959 303 R CB -0.969 29.368 30.300 0.062 0.000 0.856 303 R HN 0.768 nan 8.270 nan 0.000 0.437 304 H N -0.198 118.877 119.070 0.009 0.000 2.462 304 H HA 0.014 4.569 4.556 -0.001 0.000 0.292 304 H C 1.789 177.074 175.328 -0.070 0.000 1.049 304 H CA 1.410 57.454 56.048 -0.006 0.000 1.334 304 H CB 0.162 29.966 29.762 0.069 0.000 1.404 304 H HN 0.238 nan 8.280 nan 0.000 0.544 305 L N 0.063 121.225 121.223 -0.100 0.000 2.056 305 L HA -0.148 4.192 4.340 -0.001 0.000 0.207 305 L C 2.724 179.459 176.870 -0.224 0.000 1.078 305 L CA 0.828 55.541 54.840 -0.212 0.000 0.749 305 L CB -0.127 41.783 42.059 -0.248 0.000 0.901 305 L HN 0.108 nan 8.230 nan 0.000 0.433 306 V N -1.332 118.474 119.914 -0.180 0.000 2.488 306 V HA -0.143 3.976 4.120 -0.001 0.000 0.246 306 V C 0.497 176.519 176.094 -0.119 0.000 1.046 306 V CA 1.249 63.473 62.300 -0.126 0.000 1.053 306 V CB -0.292 31.481 31.823 -0.083 0.000 0.679 306 V HN 0.360 nan 8.190 nan 0.000 0.458 307 D N -0.673 119.642 120.400 -0.141 0.000 2.408 307 D HA 0.285 4.924 4.640 -0.001 0.000 0.261 307 D C -2.128 174.025 176.300 -0.245 0.000 1.190 307 D CA -2.292 51.628 54.000 -0.134 0.000 0.910 307 D CB 1.775 42.539 40.800 -0.061 0.000 1.097 307 D HN 0.051 nan 8.370 nan 0.000 0.522 308 P HA -0.109 nan 4.420 nan 0.000 0.226 308 P C 1.178 178.342 177.300 -0.227 0.000 1.146 308 P CA 1.174 63.937 63.100 -0.562 0.000 0.773 308 P CB 0.140 31.640 31.700 -0.333 0.000 0.772 309 T N -4.355 110.147 114.554 -0.087 0.000 3.081 309 T HA 0.278 4.628 4.350 -0.001 0.000 0.255 309 T C 0.957 175.707 174.700 0.084 0.000 1.113 309 T CA 0.001 62.109 62.100 0.015 0.000 1.082 309 T CB -0.585 68.287 68.868 0.007 0.000 0.939 309 T HN 0.011 nan 8.240 nan 0.000 0.506 310 A N 3.512 126.392 122.820 0.100 0.000 2.425 310 A HA 0.537 4.857 4.320 -0.001 0.000 0.242 310 A C -1.845 175.906 177.584 0.278 0.000 1.077 310 A CA -1.309 50.826 52.037 0.163 0.000 0.781 310 A CB -0.122 18.965 19.000 0.146 0.000 1.020 310 A HN 0.405 nan 8.150 nan 0.000 0.494 311 P HA 0.287 nan 4.420 nan 0.000 0.274 311 P C 0.476 177.935 177.300 0.264 0.000 1.246 311 P CA 0.067 63.301 63.100 0.223 0.000 0.795 311 P CB 0.513 32.294 31.700 0.135 0.000 1.006 312 G N -0.102 108.844 108.800 0.243 0.000 2.684 312 G HA2 0.081 4.041 3.960 -0.001 0.000 0.255 312 G HA3 0.081 4.041 3.960 -0.001 0.000 0.255 312 G C -0.887 174.099 174.900 0.144 0.000 1.219 312 G CA -0.577 44.604 45.100 0.134 0.000 0.901 312 G HN 0.541 nan 8.290 nan 0.000 0.548 313 Y N 0.071 120.371 120.300 0.000 0.000 2.620 313 Y HA 0.268 4.817 4.550 -0.001 0.000 0.330 313 Y C 0.996 176.885 175.900 -0.018 0.000 1.186 313 Y CA 0.466 58.570 58.100 0.006 0.000 1.467 313 Y CB 0.742 39.202 38.460 -0.001 0.000 1.262 313 Y HN 0.440 nan 8.280 nan 0.000 0.550 314 A N 4.512 127.046 122.820 -0.476 0.000 2.701 314 A HA 0.173 4.493 4.320 -0.001 0.000 0.241 314 A C -0.088 177.241 177.584 -0.426 0.000 1.231 314 A CA -0.400 51.417 52.037 -0.366 0.000 1.003 314 A CB 0.121 19.038 19.000 -0.137 0.000 1.281 314 A HN 0.685 nan 8.150 nan 0.000 0.600 315 E N 0.522 120.304 120.200 -0.697 0.000 2.398 315 E HA 0.273 4.623 4.350 -0.001 0.000 0.263 315 E C -0.609 175.866 176.600 -0.208 0.000 1.046 315 E CA 0.075 56.289 56.400 -0.310 0.000 0.908 315 E CB 0.992 30.645 29.700 -0.078 0.000 0.963 315 E HN 0.424 nan 8.360 nan 0.000 0.431 316 L N 4.154 125.365 121.223 -0.020 0.000 2.350 316 L HA 0.279 4.619 4.340 -0.001 0.000 0.275 316 L C -1.848 175.131 176.870 0.182 0.000 1.099 316 L CA -1.983 52.882 54.840 0.040 0.000 0.808 316 L CB 0.612 42.694 42.059 0.037 0.000 1.149 316 L HN 0.224 nan 8.230 nan 0.000 0.442 317 P HA 0.108 nan 4.420 nan 0.000 0.275 317 P C -1.281 176.255 177.300 0.394 0.000 1.227 317 P CA -0.158 63.078 63.100 0.227 0.000 0.781 317 P CB 0.646 32.437 31.700 0.152 0.000 0.906 318 W N 3.410 124.872 121.300 0.271 0.000 3.146 318 W HA 0.558 5.217 4.660 -0.001 0.000 0.319 318 W C -2.409 174.390 176.519 0.467 0.000 1.258 318 W CA -1.151 56.395 57.345 0.335 0.000 1.189 318 W CB 0.366 30.014 29.460 0.313 0.000 1.412 318 W HN 0.614 nan 8.180 nan 0.000 0.567 319 Y N -0.244 120.305 120.300 0.415 0.000 2.705 319 Y HA 0.801 5.350 4.550 -0.001 0.000 0.332 319 Y C -1.540 174.611 175.900 0.419 0.000 1.221 319 Y CA -1.952 56.229 58.100 0.135 0.000 1.059 319 Y CB 0.945 39.336 38.460 -0.114 0.000 1.298 319 Y HN 0.709 nan 8.280 nan 0.000 0.459 320 W N 0.579 121.993 121.300 0.190 0.000 2.902 320 W HA 0.861 5.520 4.660 -0.001 0.000 0.346 320 W C -1.604 175.008 176.519 0.155 0.000 1.139 320 W CA -1.141 56.225 57.345 0.035 0.000 1.139 320 W CB 1.867 31.342 29.460 0.026 0.000 1.439 320 W HN 0.738 nan 8.180 nan 0.000 0.558 321 S N 1.585 117.244 115.700 -0.067 0.000 2.668 321 S HA 0.271 4.741 4.470 -0.001 0.000 0.277 321 S C -1.859 172.801 174.600 0.100 0.000 1.170 321 S CA -0.652 57.480 58.200 -0.115 0.000 0.994 321 S CB 0.692 63.895 63.200 0.007 0.000 1.051 321 S HN 0.465 nan 8.310 nan 0.000 0.484 322 D N 4.015 124.509 120.400 0.158 0.000 2.359 322 D HA 0.301 4.940 4.640 -0.001 0.000 0.230 322 D C -0.475 175.889 176.300 0.107 0.000 1.118 322 D CA -0.032 54.061 54.000 0.155 0.000 0.844 322 D CB 1.362 42.284 40.800 0.204 0.000 1.059 322 D HN 0.555 nan 8.370 nan 0.000 0.493 323 Q N 1.386 121.231 119.800 0.076 0.000 2.558 323 Q HA 0.466 4.806 4.340 -0.001 0.000 0.252 323 Q C 0.945 176.988 176.000 0.072 0.000 1.015 323 Q CA -0.760 55.120 55.803 0.129 0.000 0.720 323 Q CB 1.801 30.664 28.738 0.208 0.000 1.215 323 Q HN 0.669 nan 8.270 nan 0.000 0.500 324 G N 2.216 111.093 108.800 0.128 0.000 2.660 324 G HA2 -0.475 3.484 3.960 -0.001 0.000 0.321 324 G HA3 -0.475 3.484 3.960 -0.001 0.000 0.321 324 G C 0.841 175.773 174.900 0.054 0.000 1.246 324 G CA 0.403 45.588 45.100 0.142 0.000 1.000 324 G HN 0.719 nan 8.290 nan 0.000 0.550 325 A N -0.077 122.773 122.820 0.050 0.000 2.209 325 A HA 0.522 4.842 4.320 -0.001 0.000 0.212 325 A C 1.242 178.717 177.584 -0.182 0.000 1.158 325 A CA 1.151 53.165 52.037 -0.038 0.000 0.742 325 A CB -0.276 18.768 19.000 0.074 0.000 0.790 325 A HN 0.724 nan 8.150 nan 0.000 0.472 326 L N 0.634 121.665 121.223 -0.320 0.000 2.265 326 L HA 0.381 4.720 4.340 -0.001 0.000 0.289 326 L C -0.109 176.688 176.870 -0.122 0.000 1.033 326 L CA -0.396 54.284 54.840 -0.267 0.000 0.814 326 L CB 1.229 43.058 42.059 -0.384 0.000 1.203 326 L HN 0.174 nan 8.230 nan 0.000 0.423 327 R N 4.704 125.143 120.500 -0.102 0.000 2.233 327 R HA 0.519 4.859 4.340 -0.001 0.000 0.334 327 R C -0.727 175.507 176.300 -0.109 0.000 1.037 327 R CA -0.364 55.700 56.100 -0.059 0.000 0.920 327 R CB 0.924 31.184 30.300 -0.066 0.000 1.137 327 R HN 0.540 nan 8.270 nan 0.000 0.492 328 I N 2.623 123.152 120.570 -0.068 0.000 2.385 328 I HA 0.194 4.364 4.170 -0.001 0.000 0.294 328 I C 0.128 176.131 176.117 -0.190 0.000 0.988 328 I CA -0.394 60.825 61.300 -0.134 0.000 1.265 328 I CB 1.445 39.413 38.000 -0.054 0.000 1.388 328 I HN 0.344 nan 8.210 nan 0.000 0.480 329 Q N 5.136 124.698 119.800 -0.397 0.000 2.323 329 Q HA 0.680 5.020 4.340 -0.001 0.000 0.271 329 Q C -1.509 174.137 176.000 -0.590 0.000 1.048 329 Q CA -0.734 54.644 55.803 -0.708 0.000 0.792 329 Q CB 3.402 31.211 28.738 -1.549 0.000 1.280 329 Q HN 0.392 nan 8.270 nan 0.000 0.441 330 V N 1.141 120.803 119.914 -0.420 0.000 2.623 330 V HA 0.856 4.976 4.120 -0.001 0.000 0.304 330 V C -1.002 175.229 176.094 0.229 0.000 1.054 330 V CA -0.646 61.557 62.300 -0.163 0.000 0.882 330 V CB 1.753 33.260 31.823 -0.527 0.000 1.002 330 V HN 0.845 nan 8.190 nan 0.000 0.424 331 A N 3.086 126.128 122.820 0.370 0.000 2.401 331 A HA 1.006 5.325 4.320 -0.001 0.000 0.310 331 A C 0.467 178.176 177.584 0.209 0.000 1.075 331 A CA 0.137 52.378 52.037 0.340 0.000 0.746 331 A CB 1.543 20.634 19.000 0.152 0.000 1.277 331 A HN 2.232 nan 8.150 nan 0.000 0.425 332 G N -0.038 108.885 108.800 0.205 0.000 2.539 332 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.256 332 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.256 332 G C -0.097 174.885 174.900 0.136 0.000 1.233 332 G CA 0.096 45.279 45.100 0.137 0.000 0.936 332 G HN 1.260 nan 8.290 nan 0.000 0.571 333 L N 0.850 122.133 121.223 0.100 0.000 2.399 333 L HA 0.546 4.885 4.340 -0.001 0.000 0.266 333 L C 2.048 178.979 176.870 0.101 0.000 1.114 333 L CA -0.086 54.811 54.840 0.094 0.000 0.804 333 L CB 1.300 43.400 42.059 0.068 0.000 1.146 333 L HN 0.967 nan 8.230 nan 0.000 0.451 334 A N 1.497 124.379 122.820 0.103 0.000 2.066 334 A HA 0.032 4.352 4.320 -0.001 0.000 0.218 334 A C 0.879 178.512 177.584 0.082 0.000 1.157 334 A CA 1.134 53.233 52.037 0.105 0.000 0.670 334 A CB -0.187 18.877 19.000 0.107 0.000 0.804 334 A HN 0.763 nan 8.150 nan 0.000 0.453 335 S N -3.524 112.217 115.700 0.068 0.000 2.570 335 S HA 0.731 5.200 4.470 -0.001 0.000 0.270 335 S C -0.124 174.503 174.600 0.045 0.000 1.149 335 S CA -0.076 58.157 58.200 0.054 0.000 0.837 335 S CB 1.302 64.531 63.200 0.048 0.000 1.124 335 S HN 1.002 nan 8.310 nan 0.000 0.465 336 G N 0.399 109.222 108.800 0.037 0.000 3.137 336 G HA2 0.525 4.484 3.960 -0.001 0.000 0.196 336 G HA3 0.525 4.484 3.960 -0.001 0.000 0.196 336 G C -0.762 174.153 174.900 0.025 0.000 1.135 336 G CA 0.044 45.162 45.100 0.030 0.000 0.803 336 G HN 0.750 nan 8.290 nan 0.000 0.619 337 D N -0.942 119.470 120.400 0.020 0.000 2.349 337 D HA 0.178 4.818 4.640 -0.001 0.000 0.214 337 D C 0.506 176.815 176.300 0.015 0.000 1.063 337 D CA 0.222 54.232 54.000 0.017 0.000 0.847 337 D CB 0.715 41.523 40.800 0.014 0.000 0.933 337 D HN 0.575 nan 8.370 nan 0.000 0.513 338 E N -0.554 119.656 120.200 0.017 0.000 2.363 338 E HA 0.261 4.610 4.350 -0.001 0.000 0.281 338 E C -1.745 174.867 176.600 0.020 0.000 0.953 338 E CA -0.843 55.566 56.400 0.015 0.000 0.778 338 E CB 1.815 31.522 29.700 0.012 0.000 1.220 338 E HN 0.000 nan 8.360 nan 0.000 0.431 339 E N 4.654 124.865 120.200 0.018 0.000 2.210 339 E HA 0.425 4.774 4.350 -0.001 0.000 0.266 339 E C -0.997 175.613 176.600 0.017 0.000 0.883 339 E CA -0.766 55.648 56.400 0.023 0.000 0.761 339 E CB 1.224 30.941 29.700 0.027 0.000 1.156 339 E HN 0.505 nan 8.360 nan 0.000 0.412 340 I N 4.188 124.771 120.570 0.021 0.000 2.377 340 I HA 0.289 4.459 4.170 -0.001 0.000 0.293 340 I C -0.597 175.534 176.117 0.024 0.000 0.987 340 I CA -1.059 60.251 61.300 0.017 0.000 1.185 340 I CB 1.770 39.779 38.000 0.016 0.000 1.341 340 I HN 0.289 nan 8.210 nan 0.000 0.455 341 V N 7.077 126.998 119.914 0.011 0.000 2.384 341 V HA 0.422 4.542 4.120 -0.001 0.000 0.287 341 V C 0.017 176.121 176.094 0.017 0.000 1.020 341 V CA -0.684 61.623 62.300 0.012 0.000 0.850 341 V CB 1.456 33.252 31.823 -0.045 0.000 0.987 341 V HN 0.672 nan 8.190 nan 0.000 0.436 342 R N 3.420 123.950 120.500 0.049 0.000 2.295 342 R HA 0.709 5.049 4.340 -0.001 0.000 0.324 342 R C 0.461 176.799 176.300 0.063 0.000 0.968 342 R CA 0.089 56.215 56.100 0.042 0.000 0.837 342 R CB 1.717 32.042 30.300 0.041 0.000 1.133 342 R HN 1.107 nan 8.270 nan 0.000 0.450 343 G N 1.933 110.752 108.800 0.033 0.000 2.712 343 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.683 343 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.683 343 G C -0.840 174.053 174.900 -0.010 0.000 1.320 343 G CA -0.608 44.513 45.100 0.035 0.000 0.847 343 G HN 0.726 nan 8.290 nan 0.000 0.553 344 E N -1.340 118.845 120.200 -0.024 0.000 2.248 344 E HA 0.608 4.958 4.350 -0.001 0.000 0.272 344 E C -0.332 176.156 176.600 -0.186 0.000 1.008 344 E CA -1.055 55.291 56.400 -0.090 0.000 0.856 344 E CB 1.794 31.464 29.700 -0.050 0.000 1.120 344 E HN 0.642 nan 8.360 nan 0.000 0.397 345 V N 3.602 123.305 119.914 -0.351 0.000 2.320 345 V HA 0.314 4.434 4.120 -0.001 0.000 0.265 345 V C -0.418 175.528 176.094 -0.247 0.000 1.048 345 V CA -0.099 61.804 62.300 -0.660 0.000 0.865 345 V CB -0.043 31.259 31.823 -0.869 0.000 1.043 345 V HN 0.724 nan 8.190 nan 0.000 0.474 346 S N 4.227 119.883 115.700 -0.073 0.000 2.541 346 S HA 0.588 5.058 4.470 -0.001 0.000 0.271 346 S C 0.149 174.984 174.600 0.391 0.000 1.133 346 S CA -0.858 57.444 58.200 0.170 0.000 0.876 346 S CB 1.692 64.945 63.200 0.087 0.000 1.105 346 S HN 0.311 nan 8.310 nan 0.000 0.470 347 L N 0.323 121.771 121.223 0.376 0.000 2.376 347 L HA 0.115 4.454 4.340 -0.001 0.000 0.219 347 L C -0.135 176.871 176.870 0.227 0.000 1.133 347 L CA 0.589 55.626 54.840 0.329 0.000 0.816 347 L CB -0.456 41.716 42.059 0.187 0.000 0.933 347 L HN 0.618 nan 8.230 nan 0.000 0.449 348 D N 1.909 122.411 120.400 0.169 0.000 2.374 348 D HA 0.337 4.976 4.640 -0.001 0.000 0.240 348 D C 0.687 177.057 176.300 0.118 0.000 1.229 348 D CA 0.417 54.488 54.000 0.118 0.000 0.895 348 D CB 0.726 41.575 40.800 0.083 0.000 1.046 348 D HN 0.165 nan 8.370 nan 0.000 0.498 349 A N 3.523 126.413 122.820 0.117 0.000 2.183 349 A HA -0.148 4.172 4.320 -0.001 0.000 0.278 349 A C -2.141 175.510 177.584 0.111 0.000 1.404 349 A CA -0.690 51.404 52.037 0.096 0.000 0.737 349 A CB -1.557 17.480 19.000 0.062 0.000 1.172 349 A HN 0.320 nan 8.150 nan 0.000 0.338 350 P HA 0.349 nan 4.420 nan 0.000 0.262 350 P C -0.152 177.183 177.300 0.058 0.000 1.199 350 P CA 0.624 63.842 63.100 0.196 0.000 0.763 350 P CB 0.551 32.459 31.700 0.347 0.000 0.790 351 K N 4.582 125.021 120.400 0.065 0.000 2.635 351 K HA 0.456 4.775 4.320 -0.001 0.000 0.266 351 K C -1.600 175.044 176.600 0.073 0.000 1.033 351 K CA -0.610 55.660 56.287 -0.029 0.000 0.919 351 K CB 0.638 33.135 32.500 -0.006 0.000 1.289 351 K HN 0.415 nan 8.250 nan 0.000 0.463 352 F N -1.332 118.538 119.950 -0.133 0.000 2.773 352 F HA 0.582 5.108 4.527 -0.001 0.000 0.314 352 F C -1.539 174.207 175.800 -0.092 0.000 1.160 352 F CA -0.818 57.107 58.000 -0.126 0.000 0.920 352 F CB 1.681 40.569 39.000 -0.188 0.000 1.323 352 F HN 0.089 nan 8.300 nan 0.000 0.457 353 T N 2.424 117.086 114.554 0.180 0.000 2.886 353 T HA 0.709 5.059 4.350 -0.001 0.000 0.292 353 T C -1.056 173.758 174.700 0.189 0.000 1.012 353 T CA -0.636 61.522 62.100 0.096 0.000 0.982 353 T CB 1.682 70.581 68.868 0.052 0.000 1.018 353 T HN 0.662 nan 8.240 nan 0.000 0.451 354 L N 3.394 124.715 121.223 0.163 0.000 2.334 354 L HA 0.703 5.043 4.340 -0.001 0.000 0.276 354 L C -0.743 176.182 176.870 0.092 0.000 1.014 354 L CA -1.032 53.889 54.840 0.135 0.000 0.815 354 L CB 1.617 43.769 42.059 0.155 0.000 1.268 354 L HN 0.504 nan 8.230 nan 0.000 0.428 355 I N 2.111 122.721 120.570 0.067 0.000 2.447 355 I HA 0.286 4.456 4.170 -0.001 0.000 0.287 355 I C -0.594 175.550 176.117 0.044 0.000 1.023 355 I CA -0.653 60.677 61.300 0.049 0.000 1.083 355 I CB 1.973 39.992 38.000 0.032 0.000 1.245 355 I HN 0.501 nan 8.210 nan 0.000 0.434 356 E N 7.061 127.289 120.200 0.046 0.000 2.197 356 E HA 0.603 4.952 4.350 -0.001 0.000 0.281 356 E C -0.939 175.679 176.600 0.030 0.000 0.995 356 E CA -0.634 55.791 56.400 0.042 0.000 0.808 356 E CB 2.218 31.949 29.700 0.052 0.000 1.093 356 E HN 0.348 nan 8.360 nan 0.000 0.394 357 L N 2.019 123.256 121.223 0.024 0.000 2.354 357 L HA 0.411 4.750 4.340 -0.001 0.000 0.269 357 L C -0.272 176.608 176.870 0.018 0.000 1.005 357 L CA -0.835 54.016 54.840 0.018 0.000 0.819 357 L CB 1.690 43.757 42.059 0.013 0.000 1.311 357 L HN 0.312 nan 8.230 nan 0.000 0.423 358 Q N 1.880 121.689 119.800 0.015 0.000 2.292 358 Q HA 0.406 4.745 4.340 -0.001 0.000 0.270 358 Q C -0.978 175.028 176.000 0.011 0.000 1.024 358 Q CA -0.602 55.210 55.803 0.015 0.000 0.768 358 Q CB 1.273 30.021 28.738 0.017 0.000 1.250 358 Q HN 0.404 nan 8.270 nan 0.000 0.447 359 K N 3.520 123.925 120.400 0.010 0.000 3.071 359 K HA -0.294 4.026 4.320 -0.001 0.000 0.262 359 K C 0.626 177.229 176.600 0.005 0.000 0.977 359 K CA 0.728 57.019 56.287 0.007 0.000 0.721 359 K CB -1.943 30.561 32.500 0.007 0.000 1.293 359 K HN 1.189 nan 8.250 nan 0.000 0.475 360 G N -2.225 106.579 108.800 0.006 0.000 2.234 360 G HA2 -0.404 3.556 3.960 -0.001 0.000 0.260 360 G HA3 -0.404 3.556 3.960 -0.001 0.000 0.260 360 G C 0.262 175.163 174.900 0.002 0.000 0.987 360 G CA 0.577 45.679 45.100 0.004 0.000 0.625 360 G HN 0.846 nan 8.290 nan 0.000 0.532 361 R N 0.279 120.781 120.500 0.003 0.000 2.349 361 R HA 0.794 5.134 4.340 -0.001 0.000 0.299 361 R C 0.463 176.765 176.300 0.003 0.000 1.027 361 R CA -0.161 55.940 56.100 0.001 0.000 0.958 361 R CB 0.329 30.629 30.300 0.001 0.000 1.047 361 R HN 0.677 nan 8.270 nan 0.000 0.468 362 I N 3.204 123.773 120.570 -0.001 0.000 2.587 362 I HA 0.036 4.205 4.170 -0.001 0.000 0.284 362 I C 1.275 177.394 176.117 0.003 0.000 1.134 362 I CA 0.277 61.577 61.300 -0.000 0.000 1.410 362 I CB 1.299 39.293 38.000 -0.011 0.000 1.392 362 I HN 0.674 nan 8.210 nan 0.000 0.545 363 V N 2.630 122.552 119.914 0.014 0.000 3.502 363 V HA 0.607 4.727 4.120 -0.001 0.000 0.288 363 V C 0.538 176.655 176.094 0.037 0.000 1.461 363 V CA 0.270 62.584 62.300 0.022 0.000 1.029 363 V CB 0.194 32.033 31.823 0.026 0.000 0.843 363 V HN 0.779 nan 8.190 nan 0.000 0.438 364 G N -0.769 108.055 108.800 0.040 0.000 2.673 364 G HA2 0.846 4.805 3.960 -0.001 0.000 0.292 364 G HA3 0.846 4.805 3.960 -0.001 0.000 0.292 364 G C -1.437 173.502 174.900 0.064 0.000 1.450 364 G CA -0.086 45.052 45.100 0.064 0.000 0.837 364 G HN 1.138 nan 8.290 nan 0.000 0.505 365 A N -0.194 122.684 122.820 0.097 0.000 2.604 365 A HA 0.932 5.251 4.320 -0.001 0.000 0.295 365 A C -0.645 177.052 177.584 0.190 0.000 1.067 365 A CA -0.528 51.579 52.037 0.117 0.000 0.683 365 A CB 1.833 20.879 19.000 0.075 0.000 1.281 365 A HN 1.145 nan 8.150 nan 0.000 0.407 366 T N 0.519 115.164 114.554 0.151 0.000 2.886 366 T HA 0.580 4.929 4.350 -0.001 0.000 0.292 366 T C -0.994 173.713 174.700 0.011 0.000 1.012 366 T CA -0.251 61.897 62.100 0.081 0.000 0.982 366 T CB 1.097 70.000 68.868 0.058 0.000 1.018 366 T HN 0.835 nan 8.240 nan 0.000 0.451 367 C N 2.691 121.911 119.300 -0.133 0.000 2.441 367 C HA 0.741 5.201 4.460 -0.001 0.000 0.318 367 C C -0.079 174.671 174.990 -0.400 0.000 1.222 367 C CA -0.761 58.117 59.018 -0.233 0.000 1.474 367 C CB 0.882 28.540 27.740 -0.137 0.000 2.125 367 C HN 0.712 nan 8.230 nan 0.000 0.479 368 V N 4.827 124.379 119.914 -0.603 0.000 2.357 368 V HA 0.393 4.512 4.120 -0.001 0.000 0.284 368 V C -0.061 175.782 176.094 -0.418 0.000 1.018 368 V CA -0.291 61.645 62.300 -0.608 0.000 0.841 368 V CB 1.183 32.374 31.823 -1.052 0.000 0.991 368 V HN 0.990 nan 8.190 nan 0.000 0.437 369 N N 3.842 122.388 118.700 -0.257 0.000 2.727 369 N HA -0.202 4.537 4.740 -0.001 0.000 0.249 369 N C 0.067 175.492 175.510 -0.142 0.000 1.048 369 N CA 0.957 53.908 53.050 -0.164 0.000 0.714 369 N CB -0.877 37.537 38.487 -0.122 0.000 0.959 369 N HN 0.815 nan 8.380 nan 0.000 0.544 370 N N -1.128 117.480 118.700 -0.154 0.000 2.636 370 N HA 0.420 5.160 4.740 -0.001 0.000 0.287 370 N C 0.772 176.239 175.510 -0.072 0.000 1.817 370 N CA 0.357 53.345 53.050 -0.104 0.000 0.842 370 N CB 0.242 38.662 38.487 -0.111 0.000 1.353 370 N HN 0.215 nan 8.380 nan 0.000 0.500 371 A N 0.413 123.187 122.820 -0.076 0.000 1.940 371 A HA -0.175 4.145 4.320 -0.001 0.000 0.219 371 A C 2.166 179.754 177.584 0.005 0.000 1.176 371 A CA 1.403 53.413 52.037 -0.046 0.000 0.631 371 A CB -0.343 18.616 19.000 -0.068 0.000 0.814 371 A HN 0.497 nan 8.150 nan 0.000 0.446 372 R N -0.478 120.013 120.500 -0.015 0.000 2.119 372 R HA -0.225 4.115 4.340 -0.001 0.000 0.246 372 R C 1.240 177.541 176.300 0.001 0.000 1.146 372 R CA 2.118 58.211 56.100 -0.012 0.000 0.962 372 R CB -0.313 29.976 30.300 -0.019 0.000 0.863 372 R HN 0.468 nan 8.270 nan 0.000 0.442 373 D N -0.971 119.438 120.400 0.016 0.000 2.277 373 D HA -0.098 4.542 4.640 -0.001 0.000 0.208 373 D C 1.271 177.603 176.300 0.052 0.000 0.962 373 D CA 0.531 54.545 54.000 0.022 0.000 0.865 373 D CB -0.069 40.746 40.800 0.025 0.000 0.939 373 D HN 0.153 nan 8.370 nan 0.000 0.510 374 F N 1.536 121.422 119.950 -0.107 0.000 2.113 374 F HA -0.026 4.501 4.527 -0.001 0.000 0.297 374 F C 2.185 177.888 175.800 -0.162 0.000 1.103 374 F CA 1.143 59.063 58.000 -0.133 0.000 1.248 374 F CB -0.481 38.427 39.000 -0.153 0.000 0.999 374 F HN -0.056 nan 8.300 nan 0.000 0.475 375 A N 1.197 123.919 122.820 -0.163 0.000 1.883 375 A HA -0.133 4.187 4.320 -0.001 0.000 0.217 375 A C -0.163 177.280 177.584 -0.236 0.000 1.186 375 A CA 1.861 53.743 52.037 -0.259 0.000 0.624 375 A CB -2.343 16.569 19.000 -0.146 0.000 0.822 375 A HN 0.367 nan 8.150 nan 0.000 0.444 376 P HA -0.135 nan 4.420 nan 0.000 0.216 376 P C 1.539 178.750 177.300 -0.147 0.000 1.150 376 P CA 0.944 63.970 63.100 -0.123 0.000 0.837 376 P CB -0.196 31.458 31.700 -0.076 0.000 0.786 377 L N -0.806 120.310 121.223 -0.178 0.000 2.093 377 L HA -0.077 4.263 4.340 -0.001 0.000 0.208 377 L C 3.002 179.720 176.870 -0.253 0.000 1.085 377 L CA 1.328 56.061 54.840 -0.178 0.000 0.755 377 L CB -0.567 41.409 42.059 -0.138 0.000 0.904 377 L HN -0.137 nan 8.230 nan 0.000 0.435 378 R N -0.207 120.043 120.500 -0.417 0.000 2.096 378 R HA -0.177 4.162 4.340 -0.001 0.000 0.235 378 R C 2.738 178.898 176.300 -0.234 0.000 1.127 378 R CA 1.589 57.445 56.100 -0.406 0.000 0.968 378 R CB -0.454 29.473 30.300 -0.622 0.000 0.861 378 R HN 0.355 nan 8.270 nan 0.000 0.440 379 R N 1.231 121.612 120.500 -0.198 0.000 2.081 379 R HA -0.057 4.283 4.340 -0.001 0.000 0.235 379 R C 2.208 178.451 176.300 -0.096 0.000 1.131 379 R CA 1.471 57.496 56.100 -0.126 0.000 0.960 379 R CB -1.460 28.777 30.300 -0.106 0.000 0.856 379 R HN 0.185 nan 8.270 nan 0.000 0.436 380 L N -0.088 121.077 121.223 -0.097 0.000 2.046 380 L HA -0.099 4.241 4.340 -0.001 0.000 0.208 380 L C 2.715 179.548 176.870 -0.061 0.000 1.077 380 L CA 1.197 55.996 54.840 -0.068 0.000 0.747 380 L CB -0.443 41.579 42.059 -0.061 0.000 0.896 380 L HN 0.374 nan 8.230 nan 0.000 0.432 381 L N 0.252 121.428 121.223 -0.078 0.000 2.042 381 L HA -0.174 4.165 4.340 -0.001 0.000 0.210 381 L C 2.635 179.476 176.870 -0.049 0.000 1.076 381 L CA 2.054 56.858 54.840 -0.060 0.000 0.749 381 L CB -0.757 41.257 42.059 -0.076 0.000 0.893 381 L HN 0.158 nan 8.230 nan 0.000 0.432 382 A N -0.776 122.007 122.820 -0.062 0.000 1.940 382 A HA -0.162 4.158 4.320 -0.001 0.000 0.219 382 A C 2.054 179.615 177.584 -0.037 0.000 1.176 382 A CA 2.188 54.195 52.037 -0.049 0.000 0.631 382 A CB -1.182 17.784 19.000 -0.056 0.000 0.814 382 A HN 0.579 nan 8.150 nan 0.000 0.446 383 V N -3.611 116.281 119.914 -0.037 0.000 3.596 383 V HA 0.516 4.636 4.120 -0.001 0.000 0.289 383 V C 1.185 177.266 176.094 -0.022 0.000 1.336 383 V CA 0.435 62.719 62.300 -0.027 0.000 1.137 383 V CB -1.048 30.759 31.823 -0.027 0.000 0.966 383 V HN 1.516 nan 8.190 nan 0.000 0.428 384 G N 0.776 109.562 108.800 -0.023 0.000 2.323 384 G HA2 -0.096 3.864 3.960 -0.001 0.000 0.292 384 G HA3 -0.096 3.864 3.960 -0.001 0.000 0.292 384 G C 0.387 175.278 174.900 -0.015 0.000 1.040 384 G CA 0.383 45.473 45.100 -0.016 0.000 0.942 384 G HN 1.719 nan 8.290 nan 0.000 0.506 385 A N -0.358 122.451 122.820 -0.019 0.000 2.520 385 A HA 0.548 4.868 4.320 -0.001 0.000 0.235 385 A C 0.916 178.493 177.584 -0.012 0.000 1.065 385 A CA 0.641 52.668 52.037 -0.018 0.000 0.764 385 A CB 0.328 19.314 19.000 -0.023 0.000 1.002 385 A HN 0.532 nan 8.150 nan 0.000 0.502 386 K N 2.307 122.701 120.400 -0.010 0.000 2.800 386 K HA 0.280 4.600 4.320 -0.001 0.000 0.185 386 K C -2.633 173.964 176.600 -0.006 0.000 1.082 386 K CA -1.167 55.116 56.287 -0.006 0.000 0.978 386 K CB 0.607 33.104 32.500 -0.004 0.000 1.364 386 K HN 0.540 nan 8.250 nan 0.000 0.592 387 P HA 0.018 nan 4.420 nan 0.000 0.274 387 P C -0.477 176.820 177.300 -0.005 0.000 1.246 387 P CA -0.540 62.555 63.100 -0.008 0.000 0.795 387 P CB 0.531 32.225 31.700 -0.010 0.000 1.006 388 D N 0.368 120.766 120.400 -0.005 0.000 2.520 388 D HA -0.068 4.572 4.640 -0.001 0.000 0.243 388 D C 1.430 177.729 176.300 -0.002 0.000 1.160 388 D CA 0.199 54.197 54.000 -0.003 0.000 0.877 388 D CB 0.619 41.417 40.800 -0.003 0.000 1.150 388 D HN 0.317 nan 8.370 nan 0.000 0.494 389 R N 3.731 124.230 120.500 -0.001 0.000 2.115 389 R HA -0.079 4.260 4.340 -0.001 0.000 0.230 389 R C 1.750 178.050 176.300 0.000 0.000 1.111 389 R CA 1.113 57.213 56.100 0.001 0.000 0.976 389 R CB -0.413 29.888 30.300 0.002 0.000 0.870 389 R HN 0.331 nan 8.270 nan 0.000 0.445 390 A N 1.807 124.627 122.820 -0.001 0.000 1.902 390 A HA 0.000 4.320 4.320 -0.001 0.000 0.217 390 A C 2.534 180.117 177.584 -0.001 0.000 1.181 390 A CA 1.541 53.577 52.037 -0.001 0.000 0.623 390 A CB -0.683 18.316 19.000 -0.001 0.000 0.818 390 A HN 0.523 nan 8.150 nan 0.000 0.443 391 A N -0.346 122.473 122.820 -0.002 0.000 1.930 391 A HA -0.000 4.319 4.320 -0.001 0.000 0.217 391 A C 2.135 179.718 177.584 -0.002 0.000 1.175 391 A CA 1.394 53.429 52.037 -0.003 0.000 0.627 391 A CB -0.556 18.441 19.000 -0.004 0.000 0.815 391 A HN 0.465 nan 8.150 nan 0.000 0.443 392 L N -0.995 120.227 121.223 -0.001 0.000 2.141 392 L HA -0.171 4.169 4.340 -0.001 0.000 0.209 392 L C 2.983 179.856 176.870 0.004 0.000 1.094 392 L CA 0.973 55.814 54.840 0.001 0.000 0.763 392 L CB -0.380 41.680 42.059 0.002 0.000 0.908 392 L HN 0.460 nan 8.230 nan 0.000 0.437 393 A N -1.306 121.516 122.820 0.003 0.000 1.935 393 A HA -0.118 4.201 4.320 -0.001 0.000 0.214 393 A C 0.955 178.540 177.584 0.002 0.000 1.178 393 A CA 0.239 52.278 52.037 0.003 0.000 0.640 393 A CB -0.293 18.707 19.000 0.001 0.000 0.825 393 A HN 0.274 nan 8.150 nan 0.000 0.447 394 D N 0.631 121.032 120.400 0.001 0.000 2.520 394 D HA 0.047 4.687 4.640 -0.001 0.000 0.243 394 D C -1.255 175.045 176.300 0.001 0.000 1.160 394 D CA -1.533 52.467 54.000 -0.000 0.000 0.877 394 D CB 0.984 41.783 40.800 -0.001 0.000 1.150 394 D HN 0.143 nan 8.370 nan 0.000 0.494 395 P HA -0.144 nan 4.420 nan 0.000 0.219 395 P C 0.826 178.127 177.300 0.000 0.000 1.146 395 P CA 0.877 63.978 63.100 0.002 0.000 0.808 395 P CB 0.120 31.821 31.700 0.002 0.000 0.779 396 A N -0.536 122.284 122.820 -0.001 0.000 2.168 396 A HA 0.008 4.327 4.320 -0.001 0.000 0.215 396 A C 1.094 178.677 177.584 -0.003 0.000 1.152 396 A CA 0.776 52.812 52.037 -0.002 0.000 0.716 396 A CB -1.368 17.630 19.000 -0.002 0.000 0.794 396 A HN 0.183 nan 8.150 nan 0.000 0.465 397 T N 1.452 116.004 114.554 -0.003 0.000 2.851 397 T HA 0.191 4.541 4.350 -0.001 0.000 0.298 397 T C -0.425 174.271 174.700 -0.006 0.000 0.977 397 T CA -0.166 61.931 62.100 -0.004 0.000 1.126 397 T CB 0.897 69.762 68.868 -0.004 0.000 0.916 397 T HN 0.261 nan 8.240 nan 0.000 0.529 398 D N 3.196 123.591 120.400 -0.008 0.000 2.359 398 D HA 0.193 4.832 4.640 -0.001 0.000 0.230 398 D C 1.188 177.480 176.300 -0.014 0.000 1.118 398 D CA -0.286 53.708 54.000 -0.010 0.000 0.844 398 D CB 0.898 41.691 40.800 -0.011 0.000 1.059 398 D HN 0.446 nan 8.370 nan 0.000 0.493 399 L N 3.355 124.569 121.223 -0.015 0.000 2.046 399 L HA -0.157 4.182 4.340 -0.001 0.000 0.208 399 L C 2.488 179.341 176.870 -0.029 0.000 1.077 399 L CA 0.803 55.630 54.840 -0.021 0.000 0.747 399 L CB -0.238 41.808 42.059 -0.021 0.000 0.896 399 L HN 0.320 nan 8.230 nan 0.000 0.432 400 R N 0.755 121.238 120.500 -0.028 0.000 2.091 400 R HA -0.166 4.173 4.340 -0.001 0.000 0.238 400 R C 2.230 178.513 176.300 -0.027 0.000 1.136 400 R CA 1.557 57.638 56.100 -0.032 0.000 0.959 400 R CB -0.102 30.180 30.300 -0.030 0.000 0.856 400 R HN 0.208 nan 8.270 nan 0.000 0.437 401 K N -0.400 119.987 120.400 -0.022 0.000 2.097 401 K HA -0.124 4.195 4.320 -0.001 0.000 0.205 401 K C 1.919 178.508 176.600 -0.019 0.000 1.050 401 K CA 1.284 57.560 56.287 -0.018 0.000 0.938 401 K CB -0.221 32.270 32.500 -0.014 0.000 0.718 401 K HN 0.113 nan 8.250 nan 0.000 0.442 402 L N 1.007 122.218 121.223 -0.019 0.000 2.056 402 L HA -0.106 4.234 4.340 -0.001 0.000 0.207 402 L C 2.179 179.035 176.870 -0.024 0.000 1.078 402 L CA 1.687 56.516 54.840 -0.019 0.000 0.749 402 L CB -0.583 41.465 42.059 -0.018 0.000 0.901 402 L HN 0.097 nan 8.230 nan 0.000 0.433 403 A N -0.390 122.412 122.820 -0.030 0.000 1.883 403 A HA -0.154 4.165 4.320 -0.001 0.000 0.217 403 A C 2.453 180.018 177.584 -0.032 0.000 1.186 403 A CA 1.968 53.982 52.037 -0.037 0.000 0.624 403 A CB -1.275 17.695 19.000 -0.050 0.000 0.822 403 A HN 0.562 nan 8.150 nan 0.000 0.444 404 A N -0.270 122.533 122.820 -0.028 0.000 1.933 404 A HA 0.155 4.475 4.320 -0.001 0.000 0.218 404 A C 2.471 180.043 177.584 -0.019 0.000 1.175 404 A CA 2.057 54.080 52.037 -0.024 0.000 0.628 404 A CB -0.953 18.035 19.000 -0.021 0.000 0.814 404 A HN 1.102 nan 8.150 nan 0.000 0.444 405 A N -0.465 122.345 122.820 -0.018 0.000 1.933 405 A HA 0.188 4.507 4.320 -0.001 0.000 0.218 405 A C 1.432 179.008 177.584 -0.014 0.000 1.175 405 A CA 1.278 53.306 52.037 -0.014 0.000 0.628 405 A CB -0.838 18.154 19.000 -0.013 0.000 0.814 405 A HN 0.318 nan 8.150 nan 0.000 0.444 406 V N 0.000 119.904 119.914 -0.017 0.000 2.409 406 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 406 V CA 0.000 62.290 62.300 -0.017 0.000 1.235 406 V CB 0.000 31.811 31.823 -0.020 0.000 1.184 406 V HN 0.000 nan 8.190 nan 0.000 0.556