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 3mzb_1_B DATA FIRST_RESID 4 DATA SEQUENCE DEITTAWPVN VGPLNPHLYT PNQMFAQSMV YEPLVKYQAD GSVIPWLAKS DATA SEQUENCE WTHSEDGKTW TFTLRDDVKF SNGEPFDAEA AAENFRAVLD NRQRHAWLEL DATA SEQUENCE ANQIVDVKAL SKTELQITLK SAYYPFLQEL ALPRPFRFIA PSQFKNHETM DATA SEQUENCE NGIKAPIGTG PWILQESKLN QYDVFVRNEN YWGEKPAIKK ITFNVIPDPT DATA SEQUENCE TRAVAFETGD IDLLYGNEGL LPLDTFARFS QNPAYHTQLS QPIETVMLAL DATA SEQUENCE NTAKAPTNEL AVREALNYAV NKKSLIDNAL YGTQQVADTL FAPSVPYANL DATA SEQUENCE GLKPSQYDPQ KAKALLEKAG WTLPAGKDIR EKNGQPLRIE LSFIGTDALS DATA SEQUENCE KSMAEIIQAD MRQIGADVSL IGEEESSIYA RQRDGRFGMI FHRTWGAPYD DATA SEQUENCE PHAFLSSMRV PSHADFQAQQ GLADKPLIDK EIGEVLATHD ETQRQALYRD DATA SEQUENCE ILTRLHDEAV YLPISYISMM VVSKPELGNI PYAPIATEIP FEQIKP 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 4 D HA 0.000 nan 4.640 nan 0.000 0.175 4 D C 0.000 176.320 176.300 0.033 0.000 2.045 4 D CA 0.000 54.019 54.000 0.032 0.000 0.868 4 D CB 0.000 40.821 40.800 0.035 0.000 0.688 5 E N 0.833 121.039 120.200 0.009 0.000 2.222 5 E HA 0.688 5.040 4.350 0.003 0.000 0.267 5 E C -0.225 176.352 176.600 -0.038 0.000 0.884 5 E CA -1.067 55.326 56.400 -0.012 0.000 0.764 5 E CB 2.739 32.428 29.700 -0.019 0.000 1.169 5 E HN 0.369 nan 8.360 nan 0.000 0.413 6 I N -1.761 118.761 120.570 -0.080 0.000 2.892 6 I HA 0.666 4.838 4.170 0.003 0.000 0.306 6 I C -0.673 175.344 176.117 -0.166 0.000 1.078 6 I CA -0.631 60.608 61.300 -0.102 0.000 1.032 6 I CB 2.536 40.484 38.000 -0.088 0.000 1.229 6 I HN 0.196 nan 8.210 nan 0.000 0.435 7 T N 2.089 116.560 114.554 -0.139 0.000 2.861 7 T HA 0.605 4.957 4.350 0.003 0.000 0.287 7 T C -0.390 174.218 174.700 -0.152 0.000 1.003 7 T CA -0.435 61.566 62.100 -0.165 0.000 0.977 7 T CB 1.833 70.644 68.868 -0.094 0.000 0.996 7 T HN 0.898 nan 8.240 nan 0.000 0.448 8 T N 0.633 115.040 114.554 -0.245 0.000 2.626 8 T HA 0.864 5.216 4.350 0.003 0.000 0.279 8 T C -1.622 173.074 174.700 -0.007 0.000 0.983 8 T CA -0.343 61.674 62.100 -0.139 0.000 1.059 8 T CB 1.291 70.031 68.868 -0.214 0.000 1.396 8 T HN 0.855 nan 8.240 nan 0.000 0.519 9 A N 0.250 123.160 122.820 0.150 0.000 2.515 9 A HA 0.769 5.091 4.320 0.003 0.000 0.296 9 A C -1.887 175.995 177.584 0.497 0.000 1.094 9 A CA -0.728 51.475 52.037 0.276 0.000 0.718 9 A CB 1.462 20.566 19.000 0.175 0.000 1.307 9 A HN 0.724 nan 8.150 nan 0.000 0.408 10 W N 1.388 122.818 121.300 0.217 0.000 3.167 10 W HA 0.428 5.090 4.660 0.003 0.000 0.324 10 W C -2.650 173.945 176.519 0.128 0.000 1.230 10 W CA -1.889 55.560 57.345 0.173 0.000 1.184 10 W CB 2.387 31.994 29.460 0.245 0.000 1.414 10 W HN 0.513 nan 8.180 nan 0.000 0.551 11 P HA -0.087 nan 4.420 nan 0.000 0.229 11 P C 0.244 177.544 177.300 -0.001 0.000 1.160 11 P CA 1.275 64.270 63.100 -0.174 0.000 0.777 11 P CB 0.307 31.819 31.700 -0.312 0.000 0.814 12 V N -4.992 115.009 119.914 0.145 0.000 3.160 12 V HA 0.500 4.622 4.120 0.003 0.000 0.310 12 V C -0.375 175.910 176.094 0.318 0.000 1.181 12 V CA -1.597 60.826 62.300 0.205 0.000 1.047 12 V CB 1.208 33.130 31.823 0.164 0.000 1.068 12 V HN -0.280 nan 8.190 nan 0.000 0.441 13 N N 0.071 118.880 118.700 0.181 0.000 2.371 13 N HA 0.309 5.051 4.740 0.003 0.000 0.243 13 N C 1.253 176.827 175.510 0.106 0.000 1.287 13 N CA 0.328 53.458 53.050 0.133 0.000 0.911 13 N CB 1.258 39.770 38.487 0.041 0.000 1.142 13 N HN 0.885 nan 8.380 nan 0.000 0.451 14 V N -1.362 118.552 119.914 0.001 0.000 2.809 14 V HA 0.220 4.342 4.120 0.003 0.000 0.256 14 V C 1.076 177.097 176.094 -0.122 0.000 1.080 14 V CA 1.008 63.216 62.300 -0.153 0.000 1.102 14 V CB -1.698 29.977 31.823 -0.247 0.000 0.705 14 V HN 0.911 nan 8.190 nan 0.000 0.475 15 G N 0.102 108.862 108.800 -0.068 0.000 2.660 15 G HA2 -0.121 3.841 3.960 0.003 0.000 0.247 15 G HA3 -0.121 3.841 3.960 0.003 0.000 0.247 15 G C -1.570 173.286 174.900 -0.073 0.000 1.328 15 G CA -0.227 44.836 45.100 -0.063 0.000 0.884 15 G HN 0.307 nan 8.290 nan 0.000 0.531 16 P HA 0.145 nan 4.420 nan 0.000 0.223 16 P C 1.241 178.516 177.300 -0.041 0.000 1.151 16 P CA 1.159 64.225 63.100 -0.056 0.000 0.787 16 P CB -0.090 31.578 31.700 -0.054 0.000 0.788 17 L N -2.176 119.022 121.223 -0.041 0.000 3.597 17 L HA -0.202 4.140 4.340 0.003 0.000 0.440 17 L C 0.225 177.136 176.870 0.069 0.000 1.277 17 L CA -0.312 54.548 54.840 0.032 0.000 0.852 17 L CB -2.286 39.807 42.059 0.058 0.000 1.708 17 L HN 0.229 nan 8.230 nan 0.000 0.885 18 N N 2.570 121.225 118.700 -0.074 0.000 2.452 18 N HA 0.131 4.873 4.740 0.003 0.000 0.266 18 N C -0.870 174.417 175.510 -0.372 0.000 1.175 18 N CA -1.429 51.497 53.050 -0.206 0.000 0.945 18 N CB 1.196 39.573 38.487 -0.183 0.000 1.063 18 N HN 0.109 nan 8.380 nan 0.000 0.472 19 P HA -0.064 nan 4.420 nan 0.000 0.230 19 P C -0.118 176.829 177.300 -0.588 0.000 1.158 19 P CA 1.331 63.877 63.100 -0.923 0.000 0.769 19 P CB 0.080 30.807 31.700 -1.620 0.000 0.807 20 H N -1.969 116.846 119.070 -0.425 0.000 2.672 20 H HA 0.347 4.905 4.556 0.003 0.000 0.277 20 H C 0.813 175.931 175.328 -0.349 0.000 1.074 20 H CA -0.528 55.279 56.048 -0.401 0.000 1.173 20 H CB 0.417 29.978 29.762 -0.334 0.000 1.558 20 H HN 0.058 nan 8.280 nan 0.000 0.539 21 L N -0.401 120.630 121.223 -0.320 0.000 2.256 21 L HA 0.366 4.707 4.340 0.003 0.000 0.261 21 L C -0.552 176.002 176.870 -0.526 0.000 1.022 21 L CA -1.108 53.530 54.840 -0.337 0.000 0.828 21 L CB 1.495 43.473 42.059 -0.135 0.000 1.374 21 L HN 0.089 nan 8.230 nan 0.000 0.436 22 Y N -0.931 119.352 120.300 -0.029 0.000 3.248 22 Y HA 0.216 4.767 4.550 0.003 0.000 0.373 22 Y C 1.027 176.881 175.900 -0.076 0.000 1.239 22 Y CA -0.172 57.893 58.100 -0.059 0.000 1.021 22 Y CB -0.064 38.352 38.460 -0.073 0.000 1.195 22 Y HN 0.392 nan 8.280 nan 0.000 0.890 23 T N 3.544 118.158 114.554 0.100 0.000 2.946 23 T HA 0.030 4.382 4.350 0.003 0.000 0.312 23 T C -1.622 173.067 174.700 -0.020 0.000 1.066 23 T CA -0.997 61.104 62.100 0.002 0.000 1.138 23 T CB 0.225 69.061 68.868 -0.053 0.000 1.014 23 T HN 0.358 nan 8.240 nan 0.000 0.544 24 P HA 0.109 nan 4.420 nan 0.000 0.257 24 P C -0.396 176.889 177.300 -0.024 0.000 1.281 24 P CA -0.181 62.904 63.100 -0.025 0.000 0.826 24 P CB -0.144 31.539 31.700 -0.029 0.000 1.237 25 N N 1.337 120.009 118.700 -0.047 0.000 2.483 25 N HA 0.060 4.802 4.740 0.003 0.000 0.264 25 N C 0.149 175.610 175.510 -0.082 0.000 1.197 25 N CA 0.115 53.115 53.050 -0.084 0.000 0.927 25 N CB 0.215 38.634 38.487 -0.113 0.000 1.065 25 N HN 0.024 nan 8.380 nan 0.000 0.461 26 Q N 2.481 122.187 119.800 -0.157 0.000 2.274 26 Q HA 0.169 4.511 4.340 0.003 0.000 0.256 26 Q C 0.814 176.618 176.000 -0.327 0.000 0.927 26 Q CA -0.045 55.647 55.803 -0.184 0.000 0.939 26 Q CB 1.279 29.840 28.738 -0.294 0.000 1.201 26 Q HN 0.712 nan 8.270 nan 0.000 0.426 27 M N 1.665 121.188 119.600 -0.128 0.000 2.108 27 M HA -0.197 4.285 4.480 0.003 0.000 0.261 27 M C 1.654 177.861 176.300 -0.155 0.000 1.066 27 M CA 1.849 57.093 55.300 -0.093 0.000 1.107 27 M CB -0.562 32.052 32.600 0.023 0.000 1.356 27 M HN 0.657 nan 8.290 nan 0.000 0.406 28 F N 0.497 120.331 119.950 -0.193 0.000 2.161 28 F HA -0.031 4.498 4.527 0.004 0.000 0.300 28 F C 2.251 177.886 175.800 -0.274 0.000 1.089 28 F CA 1.124 58.975 58.000 -0.249 0.000 1.282 28 F CB -0.948 37.802 39.000 -0.417 0.000 1.010 28 F HN 0.005 nan 8.300 nan 0.000 0.485 29 A N 0.355 122.310 122.820 -1.442 0.000 1.935 29 A HA -0.070 4.252 4.320 0.003 0.000 0.214 29 A C 2.210 179.554 177.584 -0.400 0.000 1.178 29 A CA 1.056 52.447 52.037 -1.076 0.000 0.640 29 A CB -0.805 17.458 19.000 -1.229 0.000 0.825 29 A HN 0.563 nan 8.150 nan 0.000 0.447 30 Q N -0.065 119.576 119.800 -0.266 0.000 2.096 30 Q HA -0.140 4.202 4.340 0.003 0.000 0.204 30 Q C 2.265 178.313 176.000 0.079 0.000 0.982 30 Q CA 1.879 57.700 55.803 0.030 0.000 0.850 30 Q CB -0.216 28.535 28.738 0.021 0.000 0.901 30 Q HN 0.598 nan 8.270 nan 0.000 0.422 31 S N 0.103 115.798 115.700 -0.007 0.000 2.453 31 S HA -0.037 4.435 4.470 0.003 0.000 0.231 31 S C 1.741 176.387 174.600 0.077 0.000 1.005 31 S CA 0.810 59.043 58.200 0.056 0.000 0.949 31 S CB -0.021 63.209 63.200 0.050 0.000 0.774 31 S HN 0.323 nan 8.310 nan 0.000 0.510 32 M N 0.092 119.703 119.600 0.019 0.000 2.254 32 M HA -0.000 4.482 4.480 0.003 0.000 0.265 32 M C 1.677 178.065 176.300 0.147 0.000 1.066 32 M CA 1.024 56.408 55.300 0.139 0.000 1.123 32 M CB -0.069 32.449 32.600 -0.138 0.000 1.388 32 M HN 0.155 nan 8.290 nan 0.000 0.425 33 V N -1.909 117.987 119.914 -0.030 0.000 2.922 33 V HA 0.008 4.130 4.120 0.003 0.000 0.242 33 V C -0.035 175.875 176.094 -0.307 0.000 1.094 33 V CA 0.626 62.785 62.300 -0.236 0.000 1.106 33 V CB -0.032 31.478 31.823 -0.521 0.000 0.799 33 V HN 0.173 nan 8.190 nan 0.000 0.474 34 Y N 0.222 120.601 120.300 0.132 0.000 2.468 34 Y HA 0.673 5.225 4.550 0.003 0.000 0.342 34 Y C 0.172 176.178 175.900 0.177 0.000 1.021 34 Y CA -1.373 56.816 58.100 0.149 0.000 1.079 34 Y CB 1.197 39.694 38.460 0.063 0.000 1.226 34 Y HN 0.105 nan 8.280 nan 0.000 0.460 35 E N 3.576 124.029 120.200 0.423 0.000 2.336 35 E HA 0.474 4.826 4.350 0.003 0.000 0.267 35 E C -2.818 174.031 176.600 0.415 0.000 0.906 35 E CA -2.301 54.356 56.400 0.429 0.000 0.781 35 E CB 2.718 32.783 29.700 0.607 0.000 1.261 35 E HN 0.252 nan 8.360 nan 0.000 0.436 36 P HA 0.251 nan 4.420 nan 0.000 0.285 36 P C 0.444 177.990 177.300 0.409 0.000 1.285 36 P CA -0.542 62.753 63.100 0.324 0.000 0.854 36 P CB 1.370 33.149 31.700 0.132 0.000 1.180 37 L N -0.181 121.238 121.223 0.326 0.000 2.083 37 L HA -0.023 4.319 4.340 0.003 0.000 0.209 37 L C 1.244 178.218 176.870 0.172 0.000 1.083 37 L CA 1.482 56.415 54.840 0.155 0.000 0.752 37 L CB -0.532 41.441 42.059 -0.142 0.000 0.899 37 L HN 0.268 nan 8.230 nan 0.000 0.433 38 V N -3.413 116.559 119.914 0.097 0.000 2.962 38 V HA 0.490 4.612 4.120 0.003 0.000 0.313 38 V C -0.731 175.420 176.094 0.095 0.000 1.099 38 V CA -1.080 61.300 62.300 0.133 0.000 0.971 38 V CB 2.227 33.984 31.823 -0.109 0.000 1.028 38 V HN 0.028 nan 8.190 nan 0.000 0.430 39 K N 2.392 122.851 120.400 0.098 0.000 2.244 39 K HA 0.488 4.810 4.320 0.003 0.000 0.260 39 K C -1.427 175.177 176.600 0.006 0.000 0.951 39 K CA -0.818 55.402 56.287 -0.112 0.000 0.826 39 K CB 1.637 33.827 32.500 -0.516 0.000 1.108 39 K HN 0.867 nan 8.250 nan 0.000 0.433 40 Y N 3.239 123.477 120.300 -0.103 0.000 2.425 40 Y HA 0.066 4.617 4.550 0.003 0.000 0.331 40 Y C -0.444 175.436 175.900 -0.032 0.000 1.157 40 Y CA 0.433 58.505 58.100 -0.047 0.000 1.372 40 Y CB 0.809 39.241 38.460 -0.048 0.000 1.253 40 Y HN 0.489 nan 8.280 nan 0.000 0.536 41 Q N 4.055 123.402 119.800 -0.756 0.000 2.348 41 Q HA 0.475 4.817 4.340 0.003 0.000 0.271 41 Q C 0.628 176.180 176.000 -0.748 0.000 1.067 41 Q CA -0.105 55.380 55.803 -0.530 0.000 0.839 41 Q CB 1.940 30.522 28.738 -0.261 0.000 1.354 41 Q HN 0.900 nan 8.270 nan 0.000 0.447 42 A N 1.648 124.277 122.820 -0.320 0.000 2.024 42 A HA -0.202 4.120 4.320 0.003 0.000 0.220 42 A C 1.190 178.687 177.584 -0.146 0.000 1.164 42 A CA 2.107 54.045 52.037 -0.165 0.000 0.643 42 A CB -0.351 18.632 19.000 -0.028 0.000 0.806 42 A HN 0.772 nan 8.150 nan 0.000 0.451 43 D N -1.955 118.347 120.400 -0.162 0.000 2.349 43 D HA 0.223 4.865 4.640 0.003 0.000 0.224 43 D C 1.171 177.419 176.300 -0.086 0.000 1.029 43 D CA 1.059 55.004 54.000 -0.091 0.000 0.879 43 D CB -0.555 40.212 40.800 -0.055 0.000 0.906 43 D HN 0.801 nan 8.370 nan 0.000 0.528 44 G N 0.036 108.715 108.800 -0.202 0.000 2.176 44 G HA2 -0.273 3.689 3.960 0.003 0.000 0.232 44 G HA3 -0.273 3.689 3.960 0.003 0.000 0.232 44 G C 0.415 175.330 174.900 0.025 0.000 0.986 44 G CA 0.438 45.537 45.100 -0.001 0.000 0.643 44 G HN 0.817 nan 8.290 nan 0.000 0.522 45 S N -0.623 115.025 115.700 -0.086 0.000 2.681 45 S HA 0.833 5.305 4.470 0.003 0.000 0.270 45 S C 0.393 174.999 174.600 0.010 0.000 1.209 45 S CA 0.027 58.239 58.200 0.021 0.000 0.988 45 S CB 2.151 65.375 63.200 0.040 0.000 1.006 45 S HN 1.813 nan 8.310 nan 0.000 0.558 46 V N -0.843 119.147 119.914 0.127 0.000 2.815 46 V HA 0.820 4.942 4.120 0.003 0.000 0.314 46 V C -0.270 175.973 176.094 0.248 0.000 1.064 46 V CA -1.201 61.194 62.300 0.157 0.000 0.952 46 V CB 0.804 32.721 31.823 0.156 0.000 1.020 46 V HN 1.074 nan 8.190 nan 0.000 0.439 47 I N -0.458 120.270 120.570 0.263 0.000 2.693 47 I HA 0.782 4.954 4.170 0.003 0.000 0.303 47 I C -2.717 173.725 176.117 0.541 0.000 1.025 47 I CA -2.826 58.693 61.300 0.366 0.000 1.086 47 I CB 1.877 40.052 38.000 0.291 0.000 1.268 47 I HN 0.360 nan 8.210 nan 0.000 0.440 48 P HA -0.047 nan 4.420 nan 0.000 0.265 48 P C -0.916 176.775 177.300 0.651 0.000 1.187 48 P CA 0.314 63.829 63.100 0.691 0.000 0.766 48 P CB 0.460 32.409 31.700 0.415 0.000 0.820 49 W N 2.675 124.144 121.300 0.282 0.000 4.482 49 W HA 0.073 4.735 4.660 0.003 0.000 0.486 49 W C 1.054 177.566 176.519 -0.011 0.000 3.470 49 W CA -0.023 57.455 57.345 0.222 0.000 1.139 49 W CB -0.464 29.144 29.460 0.247 0.000 2.117 49 W HN -0.025 nan 8.180 nan 0.000 0.349 50 L N 1.916 123.171 121.223 0.053 0.000 2.141 50 L HA 0.102 4.444 4.340 0.003 0.000 0.209 50 L C 1.242 178.093 176.870 -0.032 0.000 1.094 50 L CA 1.448 56.130 54.840 -0.264 0.000 0.763 50 L CB -1.722 40.150 42.059 -0.312 0.000 0.908 50 L HN 0.098 nan 8.230 nan 0.000 0.437 51 A N -0.939 121.980 122.820 0.164 0.000 2.309 51 A HA 0.278 4.600 4.320 0.003 0.000 0.290 51 A C 1.264 179.076 177.584 0.380 0.000 1.206 51 A CA -0.338 51.893 52.037 0.325 0.000 0.850 51 A CB 0.564 19.868 19.000 0.507 0.000 1.118 51 A HN 0.131 nan 8.150 nan 0.000 0.523 52 K N 1.748 122.296 120.400 0.246 0.000 2.167 52 K HA 0.015 4.337 4.320 0.003 0.000 0.203 52 K C 0.612 177.308 176.600 0.160 0.000 1.052 52 K CA 1.635 58.013 56.287 0.151 0.000 0.956 52 K CB -0.006 32.518 32.500 0.040 0.000 0.735 52 K HN 0.921 nan 8.250 nan 0.000 0.451 53 S N -2.300 113.542 115.700 0.237 0.000 2.643 53 S HA 0.685 5.157 4.470 0.003 0.000 0.270 53 S C -1.754 173.038 174.600 0.320 0.000 1.166 53 S CA -0.819 57.383 58.200 0.003 0.000 0.815 53 S CB 0.575 63.720 63.200 -0.092 0.000 1.139 53 S HN 0.383 nan 8.310 nan 0.000 0.472 54 W N -0.328 121.013 121.300 0.068 0.000 3.146 54 W HA 0.759 5.420 4.660 0.003 0.000 0.319 54 W C -1.064 175.402 176.519 -0.088 0.000 1.258 54 W CA -0.426 56.884 57.345 -0.058 0.000 1.189 54 W CB 0.539 29.854 29.460 -0.241 0.000 1.412 54 W HN 1.023 nan 8.180 nan 0.000 0.567 55 T N -1.322 113.262 114.554 0.049 0.000 2.901 55 T HA 0.708 5.060 4.350 0.003 0.000 0.293 55 T C -0.989 173.535 174.700 -0.293 0.000 1.084 55 T CA -0.779 61.241 62.100 -0.133 0.000 1.008 55 T CB 1.981 70.748 68.868 -0.168 0.000 1.170 55 T HN 1.117 nan 8.240 nan 0.000 0.509 56 H N -0.575 118.159 119.070 -0.559 0.000 2.806 56 H HA 0.624 5.182 4.556 0.003 0.000 0.367 56 H C -0.441 174.586 175.328 -0.501 0.000 1.136 56 H CA -0.842 54.679 56.048 -0.879 0.000 1.178 56 H CB 1.414 30.073 29.762 -1.838 0.000 1.718 56 H HN 0.868 nan 8.280 nan 0.000 0.540 57 S N 1.202 116.709 115.700 -0.321 0.000 2.579 57 S HA -0.072 4.400 4.470 0.003 0.000 0.275 57 S C 1.255 175.777 174.600 -0.130 0.000 1.345 57 S CA 0.124 58.201 58.200 -0.206 0.000 1.031 57 S CB 0.991 64.117 63.200 -0.123 0.000 0.892 57 S HN 0.824 nan 8.310 nan 0.000 0.529 58 E N 1.177 121.304 120.200 -0.122 0.000 2.130 58 E HA -0.302 4.050 4.350 0.003 0.000 0.196 58 E C 1.055 177.640 176.600 -0.024 0.000 0.998 58 E CA 1.680 58.038 56.400 -0.070 0.000 0.806 58 E CB -0.628 29.029 29.700 -0.072 0.000 0.738 58 E HN 0.862 nan 8.360 nan 0.000 0.459 59 D N 0.401 120.780 120.400 -0.035 0.000 2.378 59 D HA -0.002 4.640 4.640 0.003 0.000 0.227 59 D C 1.395 177.678 176.300 -0.027 0.000 1.012 59 D CA 0.771 54.749 54.000 -0.037 0.000 0.905 59 D CB -0.262 40.522 40.800 -0.026 0.000 0.895 59 D HN 0.422 nan 8.370 nan 0.000 0.532 60 G N 0.628 109.433 108.800 0.009 0.000 2.225 60 G HA2 -0.382 3.580 3.960 0.003 0.000 0.267 60 G HA3 -0.382 3.580 3.960 0.003 0.000 0.267 60 G C 0.849 175.834 174.900 0.142 0.000 1.024 60 G CA 0.726 45.848 45.100 0.037 0.000 0.784 60 G HN 0.502 nan 8.290 nan 0.000 0.507 61 K N -1.112 119.331 120.400 0.072 0.000 2.391 61 K HA 0.163 4.485 4.320 0.003 0.000 0.197 61 K C 0.491 177.156 176.600 0.109 0.000 1.087 61 K CA 0.697 57.035 56.287 0.086 0.000 1.012 61 K CB 0.789 33.310 32.500 0.036 0.000 0.925 61 K HN 0.278 nan 8.250 nan 0.000 0.547 62 T N 0.656 115.250 114.554 0.067 0.000 2.812 62 T HA 0.365 4.716 4.350 0.003 0.000 0.282 62 T C -1.500 173.210 174.700 0.017 0.000 0.990 62 T CA -0.543 61.599 62.100 0.069 0.000 0.960 62 T CB 0.919 69.788 68.868 0.001 0.000 0.948 62 T HN 0.049 nan 8.240 nan 0.000 0.438 63 W N 1.665 122.940 121.300 -0.041 0.000 2.702 63 W HA 0.531 5.193 4.660 0.003 0.000 0.331 63 W C -0.252 176.262 176.519 -0.008 0.000 1.049 63 W CA -0.611 56.717 57.345 -0.029 0.000 1.230 63 W CB 1.708 31.171 29.460 0.005 0.000 1.408 63 W HN 0.396 nan 8.180 nan 0.000 0.492 64 T N 3.937 118.542 114.554 0.085 0.000 2.864 64 T HA 0.450 4.802 4.350 0.003 0.000 0.310 64 T C -0.976 173.773 174.700 0.082 0.000 1.040 64 T CA -0.516 61.650 62.100 0.109 0.000 0.977 64 T CB 0.055 68.954 68.868 0.052 0.000 0.976 64 T HN -0.019 nan 8.240 nan 0.000 0.459 65 F N 1.875 121.986 119.950 0.270 0.000 2.408 65 F HA 0.403 4.932 4.527 0.003 0.000 0.344 65 F C 1.169 177.084 175.800 0.193 0.000 1.112 65 F CA -0.752 57.430 58.000 0.304 0.000 1.096 65 F CB 1.253 40.405 39.000 0.253 0.000 1.129 65 F HN 0.300 nan 8.300 nan 0.000 0.486 66 T N 5.326 120.090 114.554 0.349 0.000 2.738 66 T HA 0.445 4.797 4.350 0.003 0.000 0.298 66 T C 0.076 174.893 174.700 0.196 0.000 0.962 66 T CA -0.574 61.646 62.100 0.199 0.000 0.972 66 T CB 0.140 69.077 68.868 0.115 0.000 0.928 66 T HN 0.284 nan 8.240 nan 0.000 0.474 67 L N 3.100 124.396 121.223 0.122 0.000 2.417 67 L HA 0.411 4.753 4.340 0.003 0.000 0.268 67 L C 1.251 178.126 176.870 0.008 0.000 1.158 67 L CA -0.972 53.919 54.840 0.084 0.000 0.819 67 L CB 0.480 42.541 42.059 0.002 0.000 1.112 67 L HN 0.431 nan 8.230 nan 0.000 0.458 68 R N 1.294 121.761 120.500 -0.055 0.000 2.697 68 R HA -0.054 4.288 4.340 0.003 0.000 0.265 68 R C 0.135 176.366 176.300 -0.115 0.000 1.009 68 R CA 0.055 56.060 56.100 -0.158 0.000 1.099 68 R CB 0.301 30.357 30.300 -0.407 0.000 0.965 68 R HN 0.669 nan 8.270 nan 0.000 0.428 69 D N 0.187 120.524 120.400 -0.105 0.000 2.363 69 D HA -0.064 4.578 4.640 0.003 0.000 0.214 69 D C 0.189 176.442 176.300 -0.079 0.000 1.093 69 D CA 0.027 53.980 54.000 -0.078 0.000 0.837 69 D CB 0.227 40.994 40.800 -0.055 0.000 0.948 69 D HN 0.542 nan 8.370 nan 0.000 0.507 70 D N 0.058 120.389 120.400 -0.116 0.000 2.462 70 D HA 0.064 4.706 4.640 0.003 0.000 0.221 70 D C -0.163 176.078 176.300 -0.099 0.000 1.173 70 D CA -0.481 53.466 54.000 -0.089 0.000 0.831 70 D CB 0.115 40.873 40.800 -0.069 0.000 1.001 70 D HN -0.010 nan 8.370 nan 0.000 0.499 71 V N 1.085 120.910 119.914 -0.149 0.000 2.398 71 V HA 0.343 4.465 4.120 0.003 0.000 0.286 71 V C -0.013 176.032 176.094 -0.082 0.000 1.026 71 V CA -0.669 61.516 62.300 -0.193 0.000 0.868 71 V CB 1.768 33.306 31.823 -0.474 0.000 0.982 71 V HN -0.022 nan 8.190 nan 0.000 0.443 72 K N 3.950 124.333 120.400 -0.028 0.000 2.259 72 K HA 0.573 4.895 4.320 0.003 0.000 0.252 72 K C -0.537 176.070 176.600 0.012 0.000 0.936 72 K CA -0.633 55.666 56.287 0.021 0.000 0.810 72 K CB 1.828 34.379 32.500 0.084 0.000 1.143 72 K HN 0.374 nan 8.250 nan 0.000 0.427 73 F N 0.797 120.843 119.950 0.161 0.000 2.586 73 F HA -0.147 4.382 4.527 0.003 0.000 0.335 73 F C 2.165 178.038 175.800 0.122 0.000 1.210 73 F CA 0.553 58.648 58.000 0.158 0.000 1.359 73 F CB 0.350 39.444 39.000 0.157 0.000 1.142 73 F HN 0.638 nan 8.300 nan 0.000 0.606 74 S N 0.237 116.125 115.700 0.313 0.000 2.474 74 S HA -0.198 4.274 4.470 0.003 0.000 0.235 74 S C 1.221 175.909 174.600 0.146 0.000 0.997 74 S CA 1.006 59.317 58.200 0.185 0.000 0.949 74 S CB -0.691 62.592 63.200 0.139 0.000 0.766 74 S HN 0.761 nan 8.310 nan 0.000 0.517 75 N N 1.025 119.824 118.700 0.164 0.000 2.383 75 N HA 0.242 4.984 4.740 0.003 0.000 0.192 75 N C 1.245 176.824 175.510 0.114 0.000 1.141 75 N CA 0.643 53.759 53.050 0.111 0.000 0.851 75 N CB -0.422 38.113 38.487 0.080 0.000 0.976 75 N HN 0.595 nan 8.380 nan 0.000 0.465 76 G N -0.458 108.431 108.800 0.148 0.000 2.195 76 G HA2 -0.288 3.674 3.960 0.003 0.000 0.246 76 G HA3 -0.288 3.674 3.960 0.003 0.000 0.246 76 G C -0.347 174.645 174.900 0.153 0.000 0.984 76 G CA 0.063 45.239 45.100 0.126 0.000 0.633 76 G HN 0.495 nan 8.290 nan 0.000 0.525 77 E N 2.316 122.645 120.200 0.215 0.000 2.383 77 E HA 0.367 4.719 4.350 0.003 0.000 0.264 77 E C -2.060 174.752 176.600 0.355 0.000 1.050 77 E CA -1.316 55.231 56.400 0.243 0.000 0.896 77 E CB 1.045 30.861 29.700 0.194 0.000 0.982 77 E HN 0.259 nan 8.360 nan 0.000 0.424 78 P HA -0.004 nan 4.420 nan 0.000 0.279 78 P C -0.991 176.455 177.300 0.243 0.000 1.239 78 P CA -0.139 63.064 63.100 0.171 0.000 0.789 78 P CB 0.400 32.148 31.700 0.080 0.000 0.933 79 F N 4.202 124.062 119.950 -0.151 0.000 2.404 79 F HA 0.316 4.845 4.527 0.004 0.000 0.358 79 F C -0.290 175.427 175.800 -0.138 0.000 1.120 79 F CA -0.002 57.837 58.000 -0.267 0.000 1.144 79 F CB 0.205 38.830 39.000 -0.624 0.000 1.133 79 F HN 0.278 nan 8.300 nan 0.000 0.495 80 D N 3.576 123.579 120.400 -0.662 0.000 2.636 80 D HA 0.485 5.127 4.640 0.003 0.000 0.275 80 D C 0.450 176.379 176.300 -0.618 0.000 1.130 80 D CA -0.369 53.304 54.000 -0.546 0.000 1.031 80 D CB 0.908 41.578 40.800 -0.218 0.000 1.451 80 D HN 0.454 nan 8.370 nan 0.000 0.505 81 A N -0.371 122.233 122.820 -0.360 0.000 1.978 81 A HA -0.212 4.110 4.320 0.003 0.000 0.220 81 A C 1.900 179.408 177.584 -0.127 0.000 1.170 81 A CA 2.220 54.120 52.037 -0.230 0.000 0.636 81 A CB -0.934 18.004 19.000 -0.104 0.000 0.810 81 A HN 0.641 nan 8.150 nan 0.000 0.448 82 E N 0.190 120.332 120.200 -0.096 0.000 2.072 82 E HA -0.021 4.331 4.350 0.003 0.000 0.191 82 E C 2.046 178.657 176.600 0.018 0.000 0.985 82 E CA 1.501 57.890 56.400 -0.018 0.000 0.801 82 E CB -0.492 29.200 29.700 -0.013 0.000 0.750 82 E HN 0.461 nan 8.360 nan 0.000 0.452 83 A N 0.852 123.658 122.820 -0.022 0.000 1.908 83 A HA -0.090 4.232 4.320 0.003 0.000 0.218 83 A C 2.450 180.167 177.584 0.221 0.000 1.181 83 A CA 2.237 54.333 52.037 0.098 0.000 0.627 83 A CB -1.094 18.041 19.000 0.224 0.000 0.818 83 A HN 0.386 nan 8.150 nan 0.000 0.445 84 A N -0.170 122.665 122.820 0.024 0.000 1.877 84 A HA 0.158 4.480 4.320 0.003 0.000 0.216 84 A C 2.530 180.430 177.584 0.527 0.000 1.186 84 A CA 2.169 54.328 52.037 0.203 0.000 0.620 84 A CB -1.093 17.811 19.000 -0.161 0.000 0.822 84 A HN 1.105 nan 8.150 nan 0.000 0.443 85 A N -0.581 122.429 122.820 0.317 0.000 1.908 85 A HA -0.171 4.151 4.320 0.003 0.000 0.218 85 A C 1.964 179.773 177.584 0.375 0.000 1.181 85 A CA 1.733 53.969 52.037 0.331 0.000 0.627 85 A CB -0.448 18.649 19.000 0.162 0.000 0.818 85 A HN 0.475 nan 8.150 nan 0.000 0.445 86 E N 0.295 120.698 120.200 0.338 0.000 2.110 86 E HA -0.154 4.198 4.350 0.003 0.000 0.193 86 E C 1.792 178.734 176.600 0.571 0.000 0.988 86 E CA 0.887 57.533 56.400 0.410 0.000 0.804 86 E CB -0.423 29.450 29.700 0.289 0.000 0.745 86 E HN 0.641 nan 8.360 nan 0.000 0.458 87 N N -0.028 119.027 118.700 0.592 0.000 2.084 87 N HA -0.123 4.619 4.740 0.003 0.000 0.190 87 N C 1.924 177.471 175.510 0.063 0.000 1.030 87 N CA 0.874 54.184 53.050 0.435 0.000 0.849 87 N CB -0.315 38.497 38.487 0.541 0.000 1.012 87 N HN 0.102 nan 8.380 nan 0.000 0.423 88 F N 1.690 121.775 119.950 0.226 0.000 2.126 88 F HA -0.121 4.408 4.527 0.003 0.000 0.299 88 F C 2.734 178.580 175.800 0.076 0.000 1.096 88 F CA 1.109 59.196 58.000 0.145 0.000 1.255 88 F CB -0.324 38.779 39.000 0.170 0.000 0.997 88 F HN 0.001 nan 8.300 nan 0.000 0.479 89 R N 0.511 121.182 120.500 0.285 0.000 2.091 89 R HA -0.185 4.157 4.340 0.003 0.000 0.238 89 R C 2.350 178.689 176.300 0.065 0.000 1.136 89 R CA 1.386 57.592 56.100 0.176 0.000 0.959 89 R CB -0.551 29.864 30.300 0.191 0.000 0.856 89 R HN 0.277 nan 8.270 nan 0.000 0.437 90 A N 0.282 123.093 122.820 -0.014 0.000 1.908 90 A HA -0.122 4.200 4.320 0.003 0.000 0.218 90 A C 2.285 179.737 177.584 -0.220 0.000 1.181 90 A CA 1.719 53.635 52.037 -0.202 0.000 0.627 90 A CB -0.608 18.096 19.000 -0.495 0.000 0.818 90 A HN 0.238 nan 8.150 nan 0.000 0.445 91 V N 0.093 119.790 119.914 -0.361 0.000 2.261 91 V HA -0.244 3.878 4.120 0.003 0.000 0.246 91 V C 2.459 178.532 176.094 -0.036 0.000 1.047 91 V CA 2.025 64.111 62.300 -0.356 0.000 1.015 91 V CB -0.758 30.683 31.823 -0.638 0.000 0.642 91 V HN 0.575 nan 8.190 nan 0.000 0.446 92 L N -0.161 121.086 121.223 0.039 0.000 2.465 92 L HA -0.067 4.275 4.340 0.003 0.000 0.224 92 L C 1.928 178.847 176.870 0.082 0.000 1.145 92 L CA 0.656 55.565 54.840 0.114 0.000 0.834 92 L CB -0.667 41.484 42.059 0.153 0.000 0.944 92 L HN 0.318 nan 8.230 nan 0.000 0.451 93 D N 0.093 120.522 120.400 0.049 0.000 2.351 93 D HA -0.148 4.494 4.640 0.003 0.000 0.216 93 D C 1.165 177.482 176.300 0.029 0.000 0.968 93 D CA 1.006 55.026 54.000 0.033 0.000 0.899 93 D CB -0.129 40.680 40.800 0.015 0.000 0.907 93 D HN 0.185 nan 8.370 nan 0.000 0.514 94 N N 0.023 118.752 118.700 0.048 0.000 2.416 94 N HA 0.072 4.814 4.740 0.003 0.000 0.267 94 N C 1.086 176.610 175.510 0.022 0.000 1.294 94 N CA -0.220 52.840 53.050 0.017 0.000 0.891 94 N CB 0.167 38.656 38.487 0.002 0.000 1.238 94 N HN -0.095 nan 8.380 nan 0.000 0.508 95 R N 0.143 120.697 120.500 0.091 0.000 2.140 95 R HA -0.256 4.086 4.340 0.003 0.000 0.250 95 R C 1.040 177.369 176.300 0.049 0.000 1.150 95 R CA 2.160 58.337 56.100 0.129 0.000 0.966 95 R CB 0.230 30.582 30.300 0.087 0.000 0.869 95 R HN 0.303 nan 8.270 nan 0.000 0.445 96 Q N -0.332 119.467 119.800 -0.003 0.000 2.135 96 Q HA -0.184 4.158 4.340 0.003 0.000 0.204 96 Q C 1.974 177.949 176.000 -0.040 0.000 0.981 96 Q CA 1.571 57.364 55.803 -0.017 0.000 0.856 96 Q CB -0.330 28.398 28.738 -0.016 0.000 0.902 96 Q HN 0.144 nan 8.270 nan 0.000 0.425 97 R N 0.024 120.444 120.500 -0.133 0.000 2.189 97 R HA -0.069 4.273 4.340 0.003 0.000 0.223 97 R C 0.768 176.993 176.300 -0.124 0.000 1.092 97 R CA 1.100 57.096 56.100 -0.173 0.000 0.989 97 R CB -0.054 30.081 30.300 -0.274 0.000 0.876 97 R HN 0.451 nan 8.270 nan 0.000 0.457 98 H N -1.272 117.886 119.070 0.145 0.000 2.505 98 H HA 0.337 4.895 4.556 0.003 0.000 0.289 98 H C 1.270 176.512 175.328 -0.144 0.000 1.052 98 H CA 0.477 56.561 56.048 0.060 0.000 1.156 98 H CB 0.367 30.102 29.762 -0.045 0.000 1.507 98 H HN 0.230 nan 8.280 nan 0.000 0.548 99 A N 2.166 125.015 122.820 0.048 0.000 1.948 99 A HA -0.179 4.143 4.320 0.003 0.000 0.220 99 A C 2.205 179.770 177.584 -0.032 0.000 1.177 99 A CA 1.371 53.401 52.037 -0.012 0.000 0.636 99 A CB -1.046 17.944 19.000 -0.017 0.000 0.815 99 A HN 0.726 nan 8.150 nan 0.000 0.449 100 W N -1.049 120.240 121.300 -0.019 0.000 2.364 100 W HA 0.034 4.696 4.660 0.003 0.000 0.281 100 W C 0.229 176.830 176.519 0.136 0.000 1.219 100 W CA 0.508 57.869 57.345 0.026 0.000 1.220 100 W CB -0.867 28.633 29.460 0.068 0.000 1.127 100 W HN 0.265 nan 8.180 nan 0.000 0.556 101 L N 2.736 123.409 121.223 -0.918 0.000 2.264 101 L HA 0.191 4.533 4.340 0.003 0.000 0.287 101 L C 1.395 178.079 176.870 -0.309 0.000 1.039 101 L CA -0.194 54.130 54.840 -0.859 0.000 0.829 101 L CB 1.192 42.373 42.059 -1.464 0.000 1.211 101 L HN -0.158 nan 8.230 nan 0.000 0.427 102 E N 3.433 123.574 120.200 -0.099 0.000 2.153 102 E HA -0.232 4.120 4.350 0.003 0.000 0.194 102 E C 1.666 178.075 176.600 -0.318 0.000 0.988 102 E CA 1.451 57.776 56.400 -0.125 0.000 0.811 102 E CB -0.157 29.551 29.700 0.013 0.000 0.746 102 E HN 0.664 nan 8.360 nan 0.000 0.466 103 L N 0.381 121.458 121.223 -0.242 0.000 2.089 103 L HA -0.185 4.157 4.340 0.003 0.000 0.213 103 L C 2.131 178.960 176.870 -0.069 0.000 1.079 103 L CA 2.387 57.103 54.840 -0.207 0.000 0.758 103 L CB -1.080 41.019 42.059 0.067 0.000 0.891 103 L HN 0.196 nan 8.230 nan 0.000 0.433 104 A N -0.893 121.961 122.820 0.056 0.000 2.015 104 A HA -0.158 4.164 4.320 0.003 0.000 0.219 104 A C 1.932 179.538 177.584 0.037 0.000 1.163 104 A CA 1.597 53.724 52.037 0.150 0.000 0.646 104 A CB -0.642 18.430 19.000 0.121 0.000 0.806 104 A HN 0.641 nan 8.150 nan 0.000 0.448 105 N N -0.501 118.165 118.700 -0.056 0.000 2.446 105 N HA -0.049 4.693 4.740 0.003 0.000 0.179 105 N C 1.440 176.889 175.510 -0.102 0.000 1.054 105 N CA 0.658 53.667 53.050 -0.068 0.000 0.905 105 N CB -0.060 38.377 38.487 -0.084 0.000 0.973 105 N HN 0.461 nan 8.380 nan 0.000 0.448 106 Q N 0.381 120.078 119.800 -0.172 0.000 2.339 106 Q HA 0.227 4.569 4.340 0.003 0.000 0.205 106 Q C 0.585 176.502 176.000 -0.139 0.000 0.925 106 Q CA 0.059 55.735 55.803 -0.211 0.000 0.898 106 Q CB 0.696 29.180 28.738 -0.424 0.000 1.013 106 Q HN 0.367 nan 8.270 nan 0.000 0.504 107 I N 1.257 121.770 120.570 -0.095 0.000 2.517 107 I HA -0.051 4.121 4.170 0.003 0.000 0.285 107 I C 1.234 177.332 176.117 -0.031 0.000 1.106 107 I CA -0.150 61.108 61.300 -0.070 0.000 1.402 107 I CB 1.047 39.026 38.000 -0.035 0.000 1.399 107 I HN -0.173 nan 8.210 nan 0.000 0.535 108 V N 4.580 124.470 119.914 -0.039 0.000 2.788 108 V HA 0.072 4.194 4.120 0.003 0.000 0.241 108 V C 0.172 176.264 176.094 -0.004 0.000 1.083 108 V CA 1.049 63.339 62.300 -0.017 0.000 1.103 108 V CB 0.107 31.918 31.823 -0.019 0.000 0.800 108 V HN 0.847 nan 8.190 nan 0.000 0.476 109 D N -1.736 118.655 120.400 -0.015 0.000 2.736 109 D HA 0.538 5.180 4.640 0.003 0.000 0.223 109 D C -1.569 174.712 176.300 -0.031 0.000 1.231 109 D CA -0.141 53.855 54.000 -0.005 0.000 0.818 109 D CB 2.546 43.347 40.800 0.002 0.000 1.587 109 D HN -0.109 nan 8.370 nan 0.000 0.463 110 V N 2.743 122.646 119.914 -0.018 0.000 2.623 110 V HA 0.614 4.736 4.120 0.003 0.000 0.304 110 V C -0.962 175.139 176.094 0.011 0.000 1.054 110 V CA -0.765 61.503 62.300 -0.054 0.000 0.882 110 V CB 1.661 33.405 31.823 -0.131 0.000 1.002 110 V HN 0.684 nan 8.190 nan 0.000 0.424 111 K N 3.004 123.412 120.400 0.013 0.000 2.527 111 K HA 0.919 5.240 4.320 0.003 0.000 0.260 111 K C -0.865 175.755 176.600 0.033 0.000 0.937 111 K CA -0.706 55.600 56.287 0.032 0.000 0.826 111 K CB 2.426 34.942 32.500 0.027 0.000 1.359 111 K HN 0.734 nan 8.250 nan 0.000 0.434 112 A N 3.260 126.098 122.820 0.031 0.000 2.309 112 A HA 0.362 4.684 4.320 0.003 0.000 0.290 112 A C 0.457 178.050 177.584 0.016 0.000 1.206 112 A CA -0.818 51.230 52.037 0.018 0.000 0.850 112 A CB -0.265 18.737 19.000 0.004 0.000 1.118 112 A HN 0.843 nan 8.150 nan 0.000 0.523 113 L N 2.093 123.327 121.223 0.018 0.000 2.307 113 L HA 0.078 4.420 4.340 0.003 0.000 0.211 113 L C 1.318 178.191 176.870 0.005 0.000 1.099 113 L CA 1.152 56.001 54.840 0.014 0.000 0.816 113 L CB -0.212 41.860 42.059 0.021 0.000 0.952 113 L HN 0.904 nan 8.230 nan 0.000 0.455 114 S N -2.641 113.059 115.700 -0.000 0.000 2.800 114 S HA 0.265 4.737 4.470 0.003 0.000 0.293 114 S C 0.324 174.910 174.600 -0.024 0.000 1.209 114 S CA -0.865 57.330 58.200 -0.009 0.000 0.884 114 S CB 1.258 64.453 63.200 -0.007 0.000 1.244 114 S HN -0.133 nan 8.310 nan 0.000 0.540 115 K N 0.670 121.051 120.400 -0.032 0.000 2.148 115 K HA 0.001 4.323 4.320 0.003 0.000 0.204 115 K C 1.500 178.053 176.600 -0.080 0.000 1.050 115 K CA 1.801 58.055 56.287 -0.055 0.000 0.942 115 K CB -0.425 32.048 32.500 -0.046 0.000 0.724 115 K HN 0.842 nan 8.250 nan 0.000 0.446 116 T N -2.681 111.842 114.554 -0.051 0.000 3.044 116 T HA 0.156 4.508 4.350 0.003 0.000 0.260 116 T C 0.171 174.870 174.700 -0.003 0.000 1.019 116 T CA -0.391 61.681 62.100 -0.046 0.000 0.921 116 T CB 0.422 69.274 68.868 -0.026 0.000 1.053 116 T HN -0.031 nan 8.240 nan 0.000 0.533 117 E N 0.914 121.119 120.200 0.007 0.000 2.155 117 E HA 0.565 4.916 4.350 0.003 0.000 0.264 117 E C -1.787 174.851 176.600 0.063 0.000 0.886 117 E CA -0.838 55.594 56.400 0.052 0.000 0.752 117 E CB 1.212 30.935 29.700 0.038 0.000 1.133 117 E HN 0.235 nan 8.360 nan 0.000 0.414 118 L N 4.048 125.349 121.223 0.129 0.000 2.325 118 L HA 0.372 4.714 4.340 0.003 0.000 0.281 118 L C -1.143 175.851 176.870 0.206 0.000 1.004 118 L CA -0.194 54.725 54.840 0.131 0.000 0.823 118 L CB 1.610 43.738 42.059 0.114 0.000 1.236 118 L HN 0.525 nan 8.230 nan 0.000 0.415 119 Q N 5.142 125.017 119.800 0.126 0.000 2.333 119 Q HA 0.581 4.923 4.340 0.003 0.000 0.265 119 Q C -1.453 174.599 176.000 0.086 0.000 0.989 119 Q CA -0.493 55.390 55.803 0.134 0.000 0.842 119 Q CB 1.325 30.111 28.738 0.080 0.000 1.262 119 Q HN 0.709 nan 8.270 nan 0.000 0.451 120 I N 3.171 123.831 120.570 0.150 0.000 2.406 120 I HA 0.340 4.512 4.170 0.003 0.000 0.290 120 I C 0.017 176.164 176.117 0.050 0.000 0.999 120 I CA -0.692 60.629 61.300 0.035 0.000 1.124 120 I CB 1.970 39.983 38.000 0.021 0.000 1.289 120 I HN 0.554 nan 8.210 nan 0.000 0.441 121 T N 4.963 119.508 114.554 -0.015 0.000 2.855 121 T HA 0.808 5.160 4.350 0.003 0.000 0.281 121 T C -0.538 174.121 174.700 -0.069 0.000 1.007 121 T CA -0.744 61.348 62.100 -0.014 0.000 1.009 121 T CB 1.492 70.360 68.868 0.001 0.000 0.983 121 T HN 0.355 nan 8.240 nan 0.000 0.455 122 L N 1.979 123.157 121.223 -0.075 0.000 2.303 122 L HA 0.559 4.901 4.340 0.003 0.000 0.266 122 L C 1.678 178.516 176.870 -0.052 0.000 1.011 122 L CA -1.330 53.445 54.840 -0.109 0.000 0.818 122 L CB 1.377 43.325 42.059 -0.185 0.000 1.326 122 L HN 0.659 nan 8.230 nan 0.000 0.435 123 K N 0.057 120.422 120.400 -0.057 0.000 2.103 123 K HA -0.095 4.227 4.320 0.003 0.000 0.207 123 K C 0.542 177.145 176.600 0.006 0.000 1.048 123 K CA 1.595 57.866 56.287 -0.026 0.000 0.930 123 K CB 0.056 32.533 32.500 -0.038 0.000 0.716 123 K HN 0.788 nan 8.250 nan 0.000 0.444 124 S N -2.027 113.685 115.700 0.021 0.000 2.790 124 S HA 0.556 5.028 4.470 0.003 0.000 0.292 124 S C -1.448 173.225 174.600 0.122 0.000 1.197 124 S CA -0.918 57.333 58.200 0.086 0.000 0.851 124 S CB 1.558 64.830 63.200 0.121 0.000 1.217 124 S HN 0.020 nan 8.310 nan 0.000 0.526 125 A N 1.224 124.166 122.820 0.204 0.000 2.650 125 A HA 0.555 4.877 4.320 0.003 0.000 0.320 125 A C -1.005 176.781 177.584 0.336 0.000 1.466 125 A CA -0.278 51.891 52.037 0.220 0.000 1.099 125 A CB -1.044 17.993 19.000 0.062 0.000 1.136 125 A HN 0.819 nan 8.150 nan 0.000 0.532 126 Y N 3.722 124.079 120.300 0.096 0.000 2.367 126 Y HA 0.324 4.876 4.550 0.003 0.000 0.342 126 Y C 0.915 176.884 175.900 0.115 0.000 0.979 126 Y CA -1.048 57.099 58.100 0.080 0.000 1.161 126 Y CB 0.425 38.873 38.460 -0.020 0.000 1.155 126 Y HN 0.736 nan 8.280 nan 0.000 0.503 127 Y N 6.427 126.582 120.300 -0.243 0.000 2.224 127 Y HA 0.112 4.664 4.550 0.003 0.000 0.289 127 Y C -1.289 174.408 175.900 -0.338 0.000 1.146 127 Y CA 0.557 58.538 58.100 -0.199 0.000 1.182 127 Y CB -1.583 36.812 38.460 -0.109 0.000 0.983 127 Y HN 0.435 nan 8.280 nan 0.000 0.524 128 P HA 0.025 nan 4.420 nan 0.000 0.253 128 P C 1.196 178.220 177.300 -0.461 0.000 1.260 128 P CA 0.325 62.756 63.100 -1.115 0.000 0.800 128 P CB -0.636 30.194 31.700 -1.450 0.000 1.162 129 F N 1.093 120.785 119.950 -0.429 0.000 2.043 129 F HA -0.290 4.239 4.527 0.003 0.000 0.297 129 F C 1.765 177.408 175.800 -0.261 0.000 1.118 129 F CA 1.639 59.511 58.000 -0.213 0.000 1.202 129 F CB -0.399 38.367 39.000 -0.390 0.000 0.965 129 F HN -0.217 nan 8.300 nan 0.000 0.482 130 L N -0.345 120.587 121.223 -0.485 0.000 2.056 130 L HA -0.208 4.134 4.340 0.003 0.000 0.207 130 L C 2.422 179.119 176.870 -0.289 0.000 1.078 130 L CA 1.132 55.655 54.840 -0.528 0.000 0.749 130 L CB -0.804 41.062 42.059 -0.322 0.000 0.901 130 L HN 0.211 nan 8.230 nan 0.000 0.433 131 Q N 0.027 119.725 119.800 -0.170 0.000 2.224 131 Q HA -0.166 4.176 4.340 0.003 0.000 0.203 131 Q C 2.028 177.964 176.000 -0.106 0.000 0.970 131 Q CA 1.201 56.952 55.803 -0.087 0.000 0.865 131 Q CB -0.033 28.670 28.738 -0.058 0.000 0.922 131 Q HN 0.466 nan 8.270 nan 0.000 0.445 132 E N -0.299 119.841 120.200 -0.100 0.000 2.158 132 E HA -0.065 4.286 4.350 0.003 0.000 0.191 132 E C 1.716 178.305 176.600 -0.018 0.000 0.982 132 E CA 0.420 56.821 56.400 0.002 0.000 0.823 132 E CB 0.002 29.778 29.700 0.127 0.000 0.766 132 E HN 0.331 nan 8.360 nan 0.000 0.468 133 L N 0.597 121.697 121.223 -0.205 0.000 2.191 133 L HA -0.141 4.201 4.340 0.003 0.000 0.212 133 L C 2.374 179.198 176.870 -0.077 0.000 1.103 133 L CA 0.794 55.511 54.840 -0.207 0.000 0.769 133 L CB -0.290 41.481 42.059 -0.480 0.000 0.908 133 L HN 0.125 nan 8.230 nan 0.000 0.438 134 A N -0.471 122.301 122.820 -0.081 0.000 2.169 134 A HA 0.129 4.451 4.320 0.003 0.000 0.212 134 A C 1.162 178.730 177.584 -0.026 0.000 1.153 134 A CA -0.004 52.013 52.037 -0.033 0.000 0.756 134 A CB -0.276 18.730 19.000 0.009 0.000 0.813 134 A HN 0.224 nan 8.150 nan 0.000 0.471 135 L N -0.438 120.769 121.223 -0.028 0.000 2.483 135 L HA 0.082 4.424 4.340 0.003 0.000 0.275 135 L C -1.318 175.578 176.870 0.044 0.000 1.220 135 L CA -1.439 53.394 54.840 -0.012 0.000 0.833 135 L CB 0.205 42.298 42.059 0.057 0.000 1.102 135 L HN 0.048 nan 8.230 nan 0.000 0.490 136 P HA -0.149 nan 4.420 nan 0.000 0.217 136 P C -0.609 176.704 177.300 0.021 0.000 1.148 136 P CA 1.474 64.614 63.100 0.067 0.000 0.834 136 P CB 0.155 31.913 31.700 0.096 0.000 0.783 137 R N -3.363 117.160 120.500 0.038 0.000 2.663 137 R HA 0.357 4.699 4.340 0.003 0.000 0.267 137 R C -2.901 173.375 176.300 -0.039 0.000 1.038 137 R CA -1.558 54.493 56.100 -0.083 0.000 0.886 137 R CB 0.153 30.358 30.300 -0.159 0.000 1.249 137 R HN -0.250 nan 8.270 nan 0.000 0.463 138 P HA 0.212 nan 4.420 nan 0.000 0.267 138 P C -0.452 176.406 177.300 -0.738 0.000 1.289 138 P CA 0.016 62.741 63.100 -0.625 0.000 0.866 138 P CB 0.208 31.323 31.700 -0.974 0.000 1.309 139 F N 1.186 120.905 119.950 -0.385 0.000 2.954 139 F HA 0.325 4.854 4.527 0.003 0.000 0.300 139 F C 1.245 176.566 175.800 -0.798 0.000 1.206 139 F CA -0.205 57.416 58.000 -0.632 0.000 1.345 139 F CB -0.175 38.548 39.000 -0.461 0.000 1.206 139 F HN -0.271 nan 8.300 nan 0.000 0.537 140 R N -0.619 119.506 120.500 -0.626 0.000 2.939 140 R HA 0.659 5.001 4.340 0.003 0.000 0.254 140 R C -1.386 174.459 176.300 -0.758 0.000 1.123 140 R CA -0.996 54.680 56.100 -0.706 0.000 1.020 140 R CB 1.608 31.812 30.300 -0.161 0.000 1.206 140 R HN -0.027 nan 8.270 nan 0.000 0.491 141 F N 1.071 121.143 119.950 0.203 0.000 2.427 141 F HA 0.473 5.002 4.527 0.003 0.000 0.348 141 F C 0.185 176.303 175.800 0.529 0.000 1.125 141 F CA -0.666 57.559 58.000 0.376 0.000 0.989 141 F CB 1.255 40.545 39.000 0.485 0.000 1.165 141 F HN 0.198 nan 8.300 nan 0.000 0.442 142 I N 2.658 123.499 120.570 0.452 0.000 2.498 142 I HA 0.691 4.863 4.170 0.003 0.000 0.301 142 I C 0.059 176.184 176.117 0.014 0.000 0.984 142 I CA -0.835 60.673 61.300 0.347 0.000 1.204 142 I CB 1.312 39.363 38.000 0.085 0.000 1.362 142 I HN 0.727 nan 8.210 nan 0.000 0.471 143 A N 8.167 130.585 122.820 -0.671 0.000 2.545 143 A HA 0.205 4.527 4.320 0.003 0.000 0.253 143 A C -1.916 175.318 177.584 -0.585 0.000 1.074 143 A CA -0.737 50.531 52.037 -1.280 0.000 0.760 143 A CB -0.473 17.920 19.000 -1.010 0.000 1.005 143 A HN 0.661 nan 8.150 nan 0.000 0.506 144 P HA -0.165 nan 4.420 nan 0.000 0.221 144 P C 1.621 178.496 177.300 -0.707 0.000 1.145 144 P CA 1.684 64.114 63.100 -1.117 0.000 0.795 144 P CB 0.031 31.219 31.700 -0.854 0.000 0.775 145 S N -1.079 114.386 115.700 -0.391 0.000 2.465 145 S HA -0.182 4.290 4.470 0.003 0.000 0.241 145 S C 1.583 176.102 174.600 -0.134 0.000 1.000 145 S CA 0.986 59.055 58.200 -0.218 0.000 0.964 145 S CB -0.881 62.227 63.200 -0.154 0.000 0.763 145 S HN 0.158 nan 8.310 nan 0.000 0.512 146 Q N 0.072 119.807 119.800 -0.109 0.000 2.282 146 Q HA 0.397 4.739 4.340 0.003 0.000 0.206 146 Q C 0.024 176.131 176.000 0.179 0.000 0.878 146 Q CA -0.258 55.558 55.803 0.022 0.000 0.944 146 Q CB -0.179 28.570 28.738 0.019 0.000 1.100 146 Q HN 0.642 nan 8.270 nan 0.000 0.509 147 F N 1.679 121.591 119.950 -0.064 0.000 2.539 147 F HA 0.025 4.554 4.527 0.003 0.000 0.340 147 F C 1.009 176.767 175.800 -0.070 0.000 1.185 147 F CA -0.004 57.967 58.000 -0.048 0.000 1.333 147 F CB 0.610 39.591 39.000 -0.031 0.000 1.152 147 F HN -0.309 nan 8.300 nan 0.000 0.602 148 K N 1.679 122.147 120.400 0.113 0.000 2.339 148 K HA 0.200 4.522 4.320 0.003 0.000 0.264 148 K C -0.594 176.021 176.600 0.024 0.000 0.986 148 K CA -0.611 55.696 56.287 0.034 0.000 0.866 148 K CB 1.104 33.609 32.500 0.009 0.000 1.103 148 K HN 0.614 nan 8.250 nan 0.000 0.441 149 N N 3.143 121.828 118.700 -0.025 0.000 2.727 149 N HA -0.217 4.525 4.740 0.003 0.000 0.249 149 N C -0.734 174.849 175.510 0.123 0.000 1.048 149 N CA 0.658 53.711 53.050 0.005 0.000 0.714 149 N CB -1.192 37.334 38.487 0.064 0.000 0.959 149 N HN 0.823 nan 8.380 nan 0.000 0.544 150 H N -3.734 115.451 119.070 0.190 0.000 3.080 150 H HA -0.159 4.399 4.556 0.003 0.000 0.254 150 H C -0.149 175.291 175.328 0.187 0.000 1.179 150 H CA 1.526 57.753 56.048 0.298 0.000 1.144 150 H CB -1.054 28.823 29.762 0.192 0.000 1.261 150 H HN 0.528 nan 8.280 nan 0.000 0.333 151 E N -0.266 119.975 120.200 0.068 0.000 2.410 151 E HA 0.413 4.764 4.350 0.003 0.000 0.269 151 E C 1.228 177.616 176.600 -0.354 0.000 0.937 151 E CA 0.181 56.475 56.400 -0.176 0.000 0.793 151 E CB 1.565 31.234 29.700 -0.052 0.000 1.314 151 E HN 0.228 nan 8.360 nan 0.000 0.447 152 T N -3.453 110.885 114.554 -0.361 0.000 2.958 152 T HA 0.034 4.386 4.350 0.003 0.000 0.256 152 T C 1.669 176.298 174.700 -0.117 0.000 0.983 152 T CA 0.142 62.096 62.100 -0.243 0.000 0.924 152 T CB -0.116 68.628 68.868 -0.207 0.000 1.136 152 T HN 0.488 nan 8.240 nan 0.000 0.506 153 M N 1.267 120.814 119.600 -0.089 0.000 2.358 153 M HA 0.150 4.632 4.480 0.003 0.000 0.264 153 M C 0.781 177.057 176.300 -0.040 0.000 1.064 153 M CA 1.368 56.640 55.300 -0.047 0.000 1.093 153 M CB -0.633 31.948 32.600 -0.032 0.000 1.401 153 M HN -0.017 nan 8.290 nan 0.000 0.440 154 N N 1.206 119.881 118.700 -0.042 0.000 2.203 154 N HA 0.362 5.104 4.740 0.003 0.000 0.207 154 N C 0.437 175.926 175.510 -0.034 0.000 1.130 154 N CA 0.866 53.898 53.050 -0.030 0.000 0.861 154 N CB 1.290 39.765 38.487 -0.018 0.000 1.005 154 N HN 0.607 nan 8.380 nan 0.000 0.507 155 G N 1.024 109.795 108.800 -0.048 0.000 2.357 155 G HA2 0.092 4.054 3.960 0.003 0.000 0.643 155 G HA3 0.092 4.054 3.960 0.003 0.000 0.643 155 G C -1.200 173.672 174.900 -0.048 0.000 1.358 155 G CA -0.750 44.322 45.100 -0.047 0.000 0.986 155 G HN 0.159 nan 8.290 nan 0.000 0.620 156 I N -2.758 117.789 120.570 -0.038 0.000 3.239 156 I HA 0.766 4.938 4.170 0.003 0.000 0.314 156 I C 0.742 176.859 176.117 -0.001 0.000 1.126 156 I CA -1.438 59.855 61.300 -0.012 0.000 0.973 156 I CB 1.895 39.882 38.000 -0.020 0.000 1.252 156 I HN 0.637 nan 8.210 nan 0.000 0.463 157 K N 1.521 121.931 120.400 0.016 0.000 2.311 157 K HA 0.513 4.834 4.320 0.003 0.000 0.206 157 K C 0.460 177.062 176.600 0.002 0.000 1.056 157 K CA 0.317 56.607 56.287 0.005 0.000 1.051 157 K CB -0.242 32.261 32.500 0.004 0.000 1.299 157 K HN 0.721 nan 8.250 nan 0.000 0.461 158 A N 2.342 125.167 122.820 0.008 0.000 2.303 158 A HA 0.335 4.657 4.320 0.003 0.000 0.317 158 A C -2.385 175.223 177.584 0.039 0.000 1.149 158 A CA -1.594 50.447 52.037 0.008 0.000 0.822 158 A CB 0.326 19.326 19.000 0.001 0.000 1.131 158 A HN 0.207 nan 8.150 nan 0.000 0.493 159 P HA 0.163 nan 4.420 nan 0.000 0.231 159 P C -0.818 176.533 177.300 0.086 0.000 1.811 159 P CA 0.105 63.278 63.100 0.122 0.000 1.051 159 P CB -0.273 31.463 31.700 0.060 0.000 1.951 160 I N 2.017 122.672 120.570 0.142 0.000 2.291 160 I HA 0.343 4.515 4.170 0.003 0.000 0.292 160 I C 1.233 177.535 176.117 0.308 0.000 1.064 160 I CA -0.165 61.215 61.300 0.135 0.000 1.269 160 I CB 0.579 38.620 38.000 0.068 0.000 1.418 160 I HN 0.160 nan 8.210 nan 0.000 0.485 161 G N 3.798 112.733 108.800 0.225 0.000 2.887 161 G HA2 0.481 4.443 3.960 0.003 0.000 0.277 161 G HA3 0.481 4.443 3.960 0.003 0.000 0.277 161 G C 0.622 175.779 174.900 0.428 0.000 1.346 161 G CA 0.028 45.375 45.100 0.411 0.000 1.058 161 G HN 0.497 nan 8.290 nan 0.000 0.535 162 T N -2.767 111.977 114.554 0.316 0.000 3.060 162 T HA 0.336 4.688 4.350 0.003 0.000 0.249 162 T C 1.246 176.146 174.700 0.334 0.000 1.079 162 T CA 0.611 62.828 62.100 0.196 0.000 1.013 162 T CB 0.116 68.959 68.868 -0.041 0.000 0.975 162 T HN 0.738 nan 8.240 nan 0.000 0.518 163 G N 2.478 111.406 108.800 0.214 0.000 2.651 163 G HA2 0.427 4.389 3.960 0.003 0.000 0.260 163 G HA3 0.427 4.389 3.960 0.003 0.000 0.260 163 G C -1.398 173.314 174.900 -0.313 0.000 1.216 163 G CA -1.268 43.870 45.100 0.063 0.000 0.913 163 G HN 0.104 nan 8.290 nan 0.000 0.535 164 P HA 0.040 nan 4.420 nan 0.000 0.241 164 P C -0.599 176.084 177.300 -1.029 0.000 1.191 164 P CA 0.588 62.905 63.100 -1.304 0.000 0.771 164 P CB 0.190 30.923 31.700 -1.611 0.000 0.929 165 W N 0.101 121.307 121.300 -0.155 0.000 2.736 165 W HA 0.558 5.220 4.660 0.003 0.000 0.335 165 W C -0.214 176.341 176.519 0.060 0.000 1.059 165 W CA -0.838 56.499 57.345 -0.014 0.000 1.226 165 W CB 1.425 30.875 29.460 -0.016 0.000 1.416 165 W HN -0.358 nan 8.180 nan 0.000 0.505 166 I N 3.611 124.400 120.570 0.364 0.000 2.436 166 I HA 0.213 4.385 4.170 0.003 0.000 0.289 166 I C -0.662 175.504 176.117 0.082 0.000 1.010 166 I CA -1.252 60.153 61.300 0.175 0.000 1.098 166 I CB 1.451 39.507 38.000 0.093 0.000 1.266 166 I HN 0.135 nan 8.210 nan 0.000 0.434 167 L N 6.402 127.533 121.223 -0.153 0.000 2.433 167 L HA 0.102 4.444 4.340 0.003 0.000 0.275 167 L C 0.963 177.653 176.870 -0.300 0.000 1.128 167 L CA 0.871 55.361 54.840 -0.583 0.000 0.875 167 L CB 0.709 42.407 42.059 -0.602 0.000 1.171 167 L HN 0.747 nan 8.230 nan 0.000 0.463 168 Q N 3.301 122.941 119.800 -0.266 0.000 2.324 168 Q HA 0.187 4.529 4.340 0.003 0.000 0.207 168 Q C -0.059 175.886 176.000 -0.091 0.000 0.928 168 Q CA 0.405 56.140 55.803 -0.113 0.000 0.890 168 Q CB 0.473 29.184 28.738 -0.044 0.000 1.001 168 Q HN 0.774 nan 8.270 nan 0.000 0.517 169 E N -0.249 119.889 120.200 -0.103 0.000 2.343 169 E HA 0.373 4.725 4.350 0.003 0.000 0.278 169 E C -1.963 174.621 176.600 -0.026 0.000 0.910 169 E CA -0.525 55.866 56.400 -0.014 0.000 0.757 169 E CB 2.350 32.113 29.700 0.104 0.000 1.218 169 E HN 0.024 nan 8.360 nan 0.000 0.435 170 S N 3.346 119.020 115.700 -0.043 0.000 2.736 170 S HA 0.395 4.867 4.470 0.003 0.000 0.285 170 S C -1.557 172.946 174.600 -0.162 0.000 1.163 170 S CA -0.725 57.422 58.200 -0.089 0.000 1.025 170 S CB 0.840 63.973 63.200 -0.111 0.000 1.030 170 S HN 0.430 nan 8.310 nan 0.000 0.486 171 K N 4.571 124.770 120.400 -0.335 0.000 2.394 171 K HA 0.453 4.775 4.320 0.003 0.000 0.260 171 K C -0.727 175.691 176.600 -0.303 0.000 0.967 171 K CA -0.848 55.178 56.287 -0.435 0.000 0.855 171 K CB 0.941 32.885 32.500 -0.926 0.000 1.101 171 K HN 0.607 nan 8.250 nan 0.000 0.433 172 L N 5.161 126.278 121.223 -0.176 0.000 2.540 172 L HA -0.015 4.327 4.340 0.003 0.000 0.276 172 L C 0.108 176.923 176.870 -0.092 0.000 1.212 172 L CA 1.162 55.939 54.840 -0.105 0.000 0.893 172 L CB -0.118 41.897 42.059 -0.073 0.000 1.138 172 L HN 0.920 nan 8.230 nan 0.000 0.491 173 N N 2.357 121.029 118.700 -0.047 0.000 2.778 173 N HA -0.253 4.489 4.740 0.003 0.000 0.249 173 N C 0.454 175.955 175.510 -0.015 0.000 1.069 173 N CA 1.560 54.600 53.050 -0.016 0.000 0.831 173 N CB -0.718 37.760 38.487 -0.016 0.000 1.142 173 N HN 0.836 nan 8.380 nan 0.000 0.573 174 Q N -1.292 118.468 119.800 -0.068 0.000 2.618 174 Q HA 0.182 4.524 4.340 0.003 0.000 0.209 174 Q C -0.111 175.945 176.000 0.093 0.000 0.797 174 Q CA 0.586 56.360 55.803 -0.049 0.000 0.888 174 Q CB 0.777 29.383 28.738 -0.221 0.000 1.244 174 Q HN 0.470 nan 8.270 nan 0.000 0.626 175 Y N -1.534 118.816 120.300 0.082 0.000 2.677 175 Y HA 0.588 5.140 4.550 0.003 0.000 0.334 175 Y C -2.081 173.883 175.900 0.107 0.000 1.196 175 Y CA -1.507 56.664 58.100 0.117 0.000 1.059 175 Y CB 0.983 39.499 38.460 0.094 0.000 1.315 175 Y HN -0.184 nan 8.280 nan 0.000 0.455 176 D N 1.132 121.798 120.400 0.443 0.000 2.780 176 D HA 0.588 5.230 4.640 0.003 0.000 0.242 176 D C -1.335 175.182 176.300 0.361 0.000 1.135 176 D CA -0.438 53.739 54.000 0.295 0.000 0.859 176 D CB 3.227 44.136 40.800 0.182 0.000 1.530 176 D HN 0.469 nan 8.370 nan 0.000 0.493 177 V N 2.304 122.308 119.914 0.149 0.000 2.495 177 V HA 0.492 4.614 4.120 0.003 0.000 0.298 177 V C -0.668 175.384 176.094 -0.070 0.000 1.031 177 V CA -0.689 61.682 62.300 0.117 0.000 0.871 177 V CB 1.228 33.078 31.823 0.044 0.000 0.988 177 V HN 0.356 nan 8.190 nan 0.000 0.432 178 F N 3.346 123.325 119.950 0.048 0.000 2.522 178 F HA 0.792 5.321 4.527 0.003 0.000 0.324 178 F C 0.169 176.020 175.800 0.085 0.000 1.077 178 F CA -0.836 57.193 58.000 0.047 0.000 0.944 178 F CB 2.166 41.154 39.000 -0.019 0.000 1.175 178 F HN 0.412 nan 8.300 nan 0.000 0.468 179 V N -0.067 120.045 119.914 0.330 0.000 2.960 179 V HA 0.650 4.772 4.120 0.003 0.000 0.315 179 V C -0.263 176.073 176.094 0.404 0.000 1.087 179 V CA -1.424 61.058 62.300 0.304 0.000 0.982 179 V CB 1.700 33.612 31.823 0.148 0.000 1.039 179 V HN 0.819 nan 8.190 nan 0.000 0.437 180 R N 2.490 123.168 120.500 0.297 0.000 2.570 180 R HA 0.096 4.438 4.340 0.003 0.000 0.277 180 R C 0.154 176.420 176.300 -0.058 0.000 1.039 180 R CA 0.097 56.175 56.100 -0.037 0.000 1.065 180 R CB 0.206 30.443 30.300 -0.106 0.000 0.964 180 R HN 0.965 nan 8.270 nan 0.000 0.428 181 N N 3.260 121.856 118.700 -0.174 0.000 2.402 181 N HA -0.034 4.708 4.740 0.003 0.000 0.252 181 N C -0.114 175.368 175.510 -0.046 0.000 1.118 181 N CA 0.045 53.053 53.050 -0.071 0.000 0.945 181 N CB 0.978 39.426 38.487 -0.066 0.000 1.147 181 N HN 0.581 nan 8.380 nan 0.000 0.495 182 E N 2.119 122.315 120.200 -0.008 0.000 2.418 182 E HA -0.030 4.322 4.350 0.003 0.000 0.197 182 E C -0.199 176.411 176.600 0.017 0.000 1.026 182 E CA 0.576 56.975 56.400 -0.002 0.000 0.862 182 E CB 0.120 29.823 29.700 0.006 0.000 0.799 182 E HN 0.578 nan 8.360 nan 0.000 0.518 183 N N 0.326 119.051 118.700 0.042 0.000 2.338 183 N HA -0.027 4.715 4.740 0.003 0.000 0.251 183 N C -0.345 175.216 175.510 0.086 0.000 1.199 183 N CA -0.246 52.836 53.050 0.052 0.000 0.879 183 N CB 0.160 38.682 38.487 0.057 0.000 1.159 183 N HN 0.087 nan 8.380 nan 0.000 0.514 184 Y N 2.143 122.392 120.300 -0.085 0.000 2.610 184 Y HA -0.103 4.449 4.550 0.003 0.000 0.332 184 Y C 1.677 177.500 175.900 -0.129 0.000 1.201 184 Y CA -0.536 57.475 58.100 -0.148 0.000 1.465 184 Y CB 0.428 38.716 38.460 -0.288 0.000 1.283 184 Y HN 0.253 nan 8.280 nan 0.000 0.563 185 W N 4.763 125.594 121.300 -0.782 0.000 2.465 185 W HA 0.163 4.825 4.660 0.004 0.000 0.268 185 W C 0.230 176.308 176.519 -0.735 0.000 1.242 185 W CA 0.603 57.559 57.345 -0.650 0.000 1.248 185 W CB -0.924 28.204 29.460 -0.554 0.000 1.118 185 W HN 0.656 nan 8.180 nan 0.000 0.587 186 G N 0.886 108.505 108.800 -1.969 0.000 2.857 186 G HA2 0.217 4.179 3.960 0.003 0.000 0.217 186 G HA3 0.217 4.179 3.960 0.003 0.000 0.217 186 G C -0.856 173.745 174.900 -0.498 0.000 1.357 186 G CA -0.911 43.402 45.100 -1.312 0.000 1.033 186 G HN 0.029 nan 8.290 nan 0.000 0.571 187 E N 0.177 120.234 120.200 -0.239 0.000 2.452 187 E HA 0.087 4.439 4.350 0.003 0.000 0.261 187 E C -0.311 176.288 176.600 -0.000 0.000 0.987 187 E CA 0.170 56.526 56.400 -0.073 0.000 0.926 187 E CB 0.710 30.389 29.700 -0.034 0.000 0.934 187 E HN 0.190 nan 8.360 nan 0.000 0.452 188 K N 4.501 124.881 120.400 -0.034 0.000 2.379 188 K HA 0.126 4.448 4.320 0.003 0.000 0.284 188 K C -2.408 174.132 176.600 -0.099 0.000 1.044 188 K CA -1.295 54.952 56.287 -0.067 0.000 0.974 188 K CB 0.482 32.951 32.500 -0.051 0.000 0.962 188 K HN 0.128 nan 8.250 nan 0.000 0.474 189 P HA 0.003 nan 4.420 nan 0.000 0.269 189 P C -0.381 176.899 177.300 -0.033 0.000 1.209 189 P CA -0.043 62.973 63.100 -0.140 0.000 0.776 189 P CB 1.135 32.614 31.700 -0.368 0.000 0.876 190 A N 3.348 126.193 122.820 0.041 0.000 1.968 190 A HA -0.035 4.287 4.320 0.003 0.000 0.217 190 A C 1.057 178.694 177.584 0.089 0.000 1.169 190 A CA 0.865 52.934 52.037 0.052 0.000 0.638 190 A CB -0.832 18.200 19.000 0.053 0.000 0.812 190 A HN 0.540 nan 8.150 nan 0.000 0.446 191 I N 0.247 120.923 120.570 0.177 0.000 2.441 191 I HA 0.055 4.227 4.170 0.003 0.000 0.287 191 I C 1.029 177.313 176.117 0.277 0.000 1.049 191 I CA -0.148 61.286 61.300 0.225 0.000 1.381 191 I CB 1.297 39.456 38.000 0.265 0.000 1.409 191 I HN 0.231 nan 8.210 nan 0.000 0.523 192 K N 4.587 125.094 120.400 0.179 0.000 2.242 192 K HA 0.103 4.425 4.320 0.003 0.000 0.200 192 K C 0.509 177.239 176.600 0.217 0.000 1.050 192 K CA 0.572 56.958 56.287 0.165 0.000 0.981 192 K CB 0.352 32.901 32.500 0.082 0.000 0.795 192 K HN 0.439 nan 8.250 nan 0.000 0.477 193 K N 1.164 121.654 120.400 0.150 0.000 2.513 193 K HA 0.371 4.693 4.320 0.003 0.000 0.251 193 K C -1.705 174.864 176.600 -0.052 0.000 0.939 193 K CA -0.447 55.890 56.287 0.084 0.000 0.793 193 K CB 1.505 34.026 32.500 0.036 0.000 1.241 193 K HN -0.111 nan 8.250 nan 0.000 0.431 194 I N 2.836 123.326 120.570 -0.134 0.000 2.447 194 I HA 0.242 4.414 4.170 0.003 0.000 0.287 194 I C -0.600 175.404 176.117 -0.188 0.000 1.023 194 I CA -0.707 60.377 61.300 -0.361 0.000 1.083 194 I CB 2.307 39.806 38.000 -0.835 0.000 1.245 194 I HN 0.497 nan 8.210 nan 0.000 0.434 195 T N 5.962 120.369 114.554 -0.245 0.000 2.771 195 T HA 0.518 4.870 4.350 0.003 0.000 0.281 195 T C -0.598 173.981 174.700 -0.203 0.000 0.982 195 T CA -0.234 61.808 62.100 -0.096 0.000 0.978 195 T CB 0.482 69.287 68.868 -0.105 0.000 0.930 195 T HN 0.107 nan 8.240 nan 0.000 0.447 196 F N 3.377 123.387 119.950 0.100 0.000 2.332 196 F HA 0.380 4.909 4.527 0.004 0.000 0.368 196 F C 0.735 176.657 175.800 0.204 0.000 1.110 196 F CA -1.192 56.899 58.000 0.152 0.000 1.087 196 F CB 0.676 39.812 39.000 0.227 0.000 1.235 196 F HN 0.345 nan 8.300 nan 0.000 0.470 197 N N 2.197 121.064 118.700 0.278 0.000 2.497 197 N HA 0.168 4.910 4.740 0.003 0.000 0.271 197 N C -0.528 175.146 175.510 0.273 0.000 1.142 197 N CA -0.261 52.943 53.050 0.257 0.000 0.965 197 N CB 1.612 40.194 38.487 0.159 0.000 1.077 197 N HN 0.213 nan 8.380 nan 0.000 0.462 198 V N 4.420 124.479 119.914 0.242 0.000 2.397 198 V HA 0.177 4.299 4.120 0.003 0.000 0.262 198 V C 0.540 176.711 176.094 0.129 0.000 1.047 198 V CA 0.042 62.459 62.300 0.196 0.000 1.003 198 V CB -0.695 31.217 31.823 0.149 0.000 1.037 198 V HN 0.466 nan 8.190 nan 0.000 0.480 199 I N 7.949 128.584 120.570 0.109 0.000 2.563 199 I HA 0.285 4.457 4.170 0.003 0.000 0.276 199 I C -1.623 174.500 176.117 0.010 0.000 1.074 199 I CA -1.528 59.808 61.300 0.060 0.000 1.124 199 I CB 2.257 40.298 38.000 0.068 0.000 1.225 199 I HN 0.384 nan 8.210 nan 0.000 0.482 200 P HA -0.091 nan 4.420 nan 0.000 0.221 200 P C 0.275 177.542 177.300 -0.055 0.000 1.150 200 P CA 1.036 64.111 63.100 -0.041 0.000 0.800 200 P CB 0.298 31.982 31.700 -0.026 0.000 0.787 201 D N 0.496 120.876 120.400 -0.034 0.000 2.277 201 D HA 0.080 4.722 4.640 0.003 0.000 0.249 201 D C -1.402 174.874 176.300 -0.041 0.000 1.134 201 D CA -2.361 51.617 54.000 -0.036 0.000 0.863 201 D CB 1.721 42.510 40.800 -0.018 0.000 1.143 201 D HN -0.035 nan 8.370 nan 0.000 0.458 202 P HA -0.148 nan 4.420 nan 0.000 0.218 202 P C 1.305 178.580 177.300 -0.042 0.000 1.149 202 P CA 1.401 64.462 63.100 -0.065 0.000 0.817 202 P CB -0.078 31.568 31.700 -0.091 0.000 0.785 203 T N -3.271 111.259 114.554 -0.038 0.000 2.821 203 T HA -0.095 4.257 4.350 0.003 0.000 0.267 203 T C 1.796 176.499 174.700 0.006 0.000 1.046 203 T CA 1.933 64.017 62.100 -0.026 0.000 1.139 203 T CB -1.748 67.102 68.868 -0.029 0.000 0.871 203 T HN 0.031 nan 8.240 nan 0.000 0.454 204 T N 1.436 115.995 114.554 0.008 0.000 2.904 204 T HA 0.067 4.419 4.350 0.003 0.000 0.267 204 T C 2.167 176.896 174.700 0.049 0.000 1.059 204 T CA 0.737 62.853 62.100 0.027 0.000 1.137 204 T CB -0.196 68.685 68.868 0.021 0.000 0.879 204 T HN 0.417 nan 8.240 nan 0.000 0.467 205 R N 1.075 121.599 120.500 0.040 0.000 2.081 205 R HA 0.007 4.349 4.340 0.003 0.000 0.235 205 R C 2.817 179.193 176.300 0.127 0.000 1.131 205 R CA 1.324 57.465 56.100 0.068 0.000 0.960 205 R CB -0.470 29.849 30.300 0.032 0.000 0.856 205 R HN 0.368 nan 8.270 nan 0.000 0.436 206 A N 0.642 123.535 122.820 0.121 0.000 1.902 206 A HA -0.107 4.215 4.320 0.003 0.000 0.217 206 A C 2.351 180.099 177.584 0.273 0.000 1.181 206 A CA 1.328 53.508 52.037 0.237 0.000 0.623 206 A CB -0.445 18.617 19.000 0.102 0.000 0.818 206 A HN 0.114 nan 8.150 nan 0.000 0.443 207 V N -0.142 119.862 119.914 0.151 0.000 2.358 207 V HA -0.226 3.896 4.120 0.003 0.000 0.246 207 V C 3.053 179.197 176.094 0.084 0.000 1.047 207 V CA 1.833 64.201 62.300 0.113 0.000 1.035 207 V CB -1.252 30.611 31.823 0.068 0.000 0.658 207 V HN 0.606 nan 8.190 nan 0.000 0.452 208 A N -0.451 122.421 122.820 0.087 0.000 1.940 208 A HA -0.261 4.060 4.320 0.003 0.000 0.219 208 A C 2.110 179.724 177.584 0.049 0.000 1.176 208 A CA 2.170 54.244 52.037 0.062 0.000 0.631 208 A CB -0.686 18.360 19.000 0.077 0.000 0.814 208 A HN 0.554 nan 8.150 nan 0.000 0.446 209 F N 1.525 121.459 119.950 -0.026 0.000 2.128 209 F HA -0.138 4.390 4.527 0.001 0.000 0.295 209 F C 2.445 178.128 175.800 -0.194 0.000 1.100 209 F CA 1.937 59.870 58.000 -0.112 0.000 1.260 209 F CB -0.336 38.573 39.000 -0.152 0.000 1.009 209 F HN 0.506 nan 8.300 nan 0.000 0.476 210 E N -0.558 119.510 120.200 -0.220 0.000 2.204 210 E HA -0.201 4.151 4.350 0.003 0.000 0.194 210 E C 1.766 178.253 176.600 -0.190 0.000 0.989 210 E CA 1.626 57.840 56.400 -0.311 0.000 0.824 210 E CB -1.024 28.689 29.700 0.022 0.000 0.756 210 E HN 0.515 nan 8.360 nan 0.000 0.477 211 T N -2.972 111.501 114.554 -0.134 0.000 3.085 211 T HA 0.230 4.582 4.350 0.003 0.000 0.263 211 T C 1.633 176.246 174.700 -0.145 0.000 1.127 211 T CA 0.547 62.590 62.100 -0.094 0.000 1.103 211 T CB 0.048 68.888 68.868 -0.046 0.000 0.921 211 T HN 0.455 nan 8.240 nan 0.000 0.510 212 G N 1.305 109.949 108.800 -0.261 0.000 2.148 212 G HA2 -0.315 3.647 3.960 0.003 0.000 0.254 212 G HA3 -0.315 3.647 3.960 0.003 0.000 0.254 212 G C 0.476 175.290 174.900 -0.143 0.000 0.981 212 G CA 0.519 45.469 45.100 -0.251 0.000 0.670 212 G HN 0.569 nan 8.290 nan 0.000 0.528 213 D N 0.154 120.494 120.400 -0.099 0.000 2.178 213 D HA 0.026 4.668 4.640 0.003 0.000 0.201 213 D C 1.624 177.903 176.300 -0.036 0.000 0.980 213 D CA 1.510 55.480 54.000 -0.050 0.000 0.842 213 D CB 0.012 40.800 40.800 -0.020 0.000 0.948 213 D HN 0.923 nan 8.370 nan 0.000 0.472 214 I N -3.603 116.952 120.570 -0.024 0.000 2.957 214 I HA 0.409 4.581 4.170 0.003 0.000 0.310 214 I C -0.157 175.988 176.117 0.046 0.000 1.063 214 I CA -0.787 60.526 61.300 0.021 0.000 1.033 214 I CB 2.218 40.264 38.000 0.078 0.000 1.230 214 I HN -0.385 nan 8.210 nan 0.000 0.447 215 D N 1.900 122.350 120.400 0.084 0.000 2.423 215 D HA 0.275 4.916 4.640 0.003 0.000 0.212 215 D C -0.165 176.295 176.300 0.267 0.000 1.060 215 D CA 0.778 54.852 54.000 0.125 0.000 0.872 215 D CB 1.418 42.246 40.800 0.047 0.000 1.012 215 D HN 0.370 nan 8.370 nan 0.000 0.503 216 L N 0.512 121.867 121.223 0.219 0.000 2.545 216 L HA 0.429 4.771 4.340 0.003 0.000 0.258 216 L C -2.231 174.708 176.870 0.114 0.000 0.942 216 L CA -0.556 54.375 54.840 0.150 0.000 0.855 216 L CB 2.116 44.247 42.059 0.119 0.000 1.374 216 L HN -0.242 nan 8.230 nan 0.000 0.411 217 L N 4.666 125.918 121.223 0.047 0.000 2.408 217 L HA 0.569 4.911 4.340 0.003 0.000 0.268 217 L C -1.728 175.215 176.870 0.123 0.000 0.986 217 L CA -0.625 54.258 54.840 0.073 0.000 0.820 217 L CB 2.187 44.242 42.059 -0.006 0.000 1.303 217 L HN 0.731 nan 8.230 nan 0.000 0.411 218 Y N 2.421 122.732 120.300 0.018 0.000 2.361 218 Y HA 0.724 5.277 4.550 0.004 0.000 0.328 218 Y C -0.174 175.755 175.900 0.049 0.000 1.044 218 Y CA -0.256 57.848 58.100 0.007 0.000 1.085 218 Y CB 1.968 40.391 38.460 -0.061 0.000 1.194 218 Y HN 0.650 nan 8.280 nan 0.000 0.438 219 G N 3.961 112.764 108.800 0.003 0.000 2.341 219 G HA2 0.158 4.120 3.960 0.003 0.000 0.299 219 G HA3 0.158 4.120 3.960 0.003 0.000 0.299 219 G C -1.609 173.222 174.900 -0.116 0.000 1.274 219 G CA -0.741 44.386 45.100 0.046 0.000 0.853 219 G HN 0.801 nan 8.290 nan 0.000 0.493 220 N N -0.519 118.122 118.700 -0.097 0.000 2.460 220 N HA 0.218 4.960 4.740 0.003 0.000 0.296 220 N C 1.364 176.757 175.510 -0.195 0.000 1.319 220 N CA 0.426 53.393 53.050 -0.139 0.000 0.945 220 N CB 0.059 38.494 38.487 -0.088 0.000 1.096 220 N HN 0.615 nan 8.380 nan 0.000 0.538 221 E N -1.531 118.558 120.200 -0.185 0.000 2.401 221 E HA -0.072 4.280 4.350 0.003 0.000 0.199 221 E C 1.038 177.517 176.600 -0.202 0.000 1.023 221 E CA 1.305 57.579 56.400 -0.210 0.000 0.859 221 E CB -0.954 28.642 29.700 -0.173 0.000 0.780 221 E HN 0.752 nan 8.360 nan 0.000 0.523 222 G N 1.002 109.692 108.800 -0.184 0.000 3.141 222 G HA2 0.084 4.046 3.960 0.003 0.000 0.218 222 G HA3 0.084 4.046 3.960 0.003 0.000 0.218 222 G C 1.266 176.056 174.900 -0.183 0.000 1.170 222 G CA 0.125 45.118 45.100 -0.178 0.000 0.769 222 G HN 0.238 nan 8.290 nan 0.000 0.546 223 L N 0.399 121.506 121.223 -0.193 0.000 2.012 223 L HA 0.270 4.612 4.340 0.003 0.000 0.210 223 L C 0.913 177.701 176.870 -0.137 0.000 1.073 223 L CA 1.712 56.448 54.840 -0.173 0.000 0.748 223 L CB -0.101 41.857 42.059 -0.168 0.000 0.891 223 L HN 0.329 nan 8.230 nan 0.000 0.431 224 L N -6.133 115.003 121.223 -0.144 0.000 2.600 224 L HA 0.622 4.964 4.340 0.003 0.000 0.257 224 L C -2.737 174.050 176.870 -0.139 0.000 1.048 224 L CA -1.956 52.818 54.840 -0.110 0.000 0.869 224 L CB 0.885 42.911 42.059 -0.054 0.000 1.482 224 L HN -0.365 nan 8.230 nan 0.000 0.408 225 P HA 0.232 nan 4.420 nan 0.000 0.268 225 P C 0.528 177.726 177.300 -0.170 0.000 1.204 225 P CA -0.068 62.940 63.100 -0.154 0.000 0.768 225 P CB 0.726 32.329 31.700 -0.161 0.000 0.842 226 L N 1.841 122.976 121.223 -0.146 0.000 2.217 226 L HA -0.123 4.219 4.340 0.003 0.000 0.211 226 L C 1.911 178.646 176.870 -0.224 0.000 1.107 226 L CA 1.257 56.038 54.840 -0.099 0.000 0.783 226 L CB -0.692 41.345 42.059 -0.037 0.000 0.919 226 L HN 0.416 nan 8.230 nan 0.000 0.442 227 D N -1.233 118.880 120.400 -0.477 0.000 2.144 227 D HA -0.162 4.480 4.640 0.003 0.000 0.200 227 D C 1.858 177.787 176.300 -0.618 0.000 0.978 227 D CA 1.632 55.019 54.000 -1.021 0.000 0.833 227 D CB -0.753 39.478 40.800 -0.948 0.000 0.961 227 D HN 0.122 nan 8.370 nan 0.000 0.470 228 T N 0.128 114.406 114.554 -0.460 0.000 2.746 228 T HA -0.117 4.235 4.350 0.003 0.000 0.267 228 T C 1.504 175.762 174.700 -0.737 0.000 1.039 228 T CA 1.100 62.844 62.100 -0.592 0.000 1.142 228 T CB -0.681 67.834 68.868 -0.588 0.000 0.866 228 T HN 0.172 nan 8.240 nan 0.000 0.444 229 F N 2.429 122.032 119.950 -0.579 0.000 2.095 229 F HA -0.094 4.437 4.527 0.008 0.000 0.298 229 F C 2.461 178.147 175.800 -0.190 0.000 1.104 229 F CA 1.060 58.851 58.000 -0.348 0.000 1.232 229 F CB -0.771 38.103 39.000 -0.209 0.000 0.987 229 F HN 0.150 nan 8.300 nan 0.000 0.475 230 A N 0.586 123.292 122.820 -0.190 0.000 1.883 230 A HA -0.252 4.070 4.320 0.003 0.000 0.217 230 A C 2.404 179.891 177.584 -0.162 0.000 1.186 230 A CA 1.929 53.869 52.037 -0.161 0.000 0.624 230 A CB -0.969 18.023 19.000 -0.014 0.000 0.822 230 A HN 0.507 nan 8.150 nan 0.000 0.444 231 R N -1.590 118.796 120.500 -0.191 0.000 2.073 231 R HA -0.148 4.194 4.340 0.003 0.000 0.234 231 R C 1.803 178.173 176.300 0.117 0.000 1.134 231 R CA 1.862 57.927 56.100 -0.058 0.000 0.952 231 R CB -0.437 29.812 30.300 -0.085 0.000 0.850 231 R HN 0.404 nan 8.270 nan 0.000 0.433 232 F N 1.230 121.143 119.950 -0.062 0.000 2.161 232 F HA -0.191 4.336 4.527 -0.000 0.000 0.300 232 F C 2.742 178.512 175.800 -0.051 0.000 1.089 232 F CA 1.525 59.547 58.000 0.036 0.000 1.282 232 F CB -1.204 37.703 39.000 -0.155 0.000 1.010 232 F HN 0.214 nan 8.300 nan 0.000 0.485 233 S N -0.529 115.112 115.700 -0.097 0.000 2.447 233 S HA -0.189 4.283 4.470 0.003 0.000 0.233 233 S C 1.526 176.096 174.600 -0.051 0.000 1.006 233 S CA 0.921 59.008 58.200 -0.188 0.000 0.957 233 S CB -0.592 62.388 63.200 -0.366 0.000 0.773 233 S HN 0.561 nan 8.310 nan 0.000 0.507 234 Q N 0.799 120.601 119.800 0.004 0.000 2.360 234 Q HA 0.287 4.629 4.340 0.003 0.000 0.202 234 Q C -0.170 175.845 176.000 0.025 0.000 0.915 234 Q CA -0.163 55.650 55.803 0.016 0.000 0.943 234 Q CB 0.125 28.875 28.738 0.021 0.000 1.064 234 Q HN 0.439 nan 8.270 nan 0.000 0.511 235 N N 0.882 119.611 118.700 0.050 0.000 2.446 235 N HA 0.150 4.892 4.740 0.003 0.000 0.265 235 N C -2.203 173.254 175.510 -0.087 0.000 0.975 235 N CA -2.229 50.803 53.050 -0.030 0.000 0.928 235 N CB 1.520 39.987 38.487 -0.033 0.000 1.160 235 N HN -0.194 nan 8.380 nan 0.000 0.495 236 P HA -0.019 nan 4.420 nan 0.000 0.225 236 P C 0.757 177.983 177.300 -0.123 0.000 1.148 236 P CA 0.591 63.649 63.100 -0.071 0.000 0.779 236 P CB 0.188 31.854 31.700 -0.055 0.000 0.780 237 A N -2.134 120.506 122.820 -0.300 0.000 2.070 237 A HA -0.094 4.228 4.320 0.003 0.000 0.220 237 A C 0.472 177.898 177.584 -0.263 0.000 1.159 237 A CA 1.157 52.950 52.037 -0.406 0.000 0.656 237 A CB -0.862 17.706 19.000 -0.719 0.000 0.800 237 A HN 0.123 nan 8.150 nan 0.000 0.453 238 Y N -2.531 117.791 120.300 0.036 0.000 2.630 238 Y HA 0.634 5.186 4.550 0.004 0.000 0.337 238 Y C -0.045 175.930 175.900 0.125 0.000 1.051 238 Y CA -2.086 56.076 58.100 0.103 0.000 1.121 238 Y CB 0.728 39.206 38.460 0.030 0.000 1.299 238 Y HN 0.258 nan 8.280 nan 0.000 0.498 239 H N -0.010 119.186 119.070 0.209 0.000 2.538 239 H HA 0.691 5.249 4.556 0.002 0.000 0.353 239 H C -0.945 174.398 175.328 0.024 0.000 1.109 239 H CA -0.529 55.572 56.048 0.087 0.000 1.192 239 H CB 1.488 31.294 29.762 0.073 0.000 1.555 239 H HN 0.734 nan 8.280 nan 0.000 0.518 240 T N 2.085 116.328 114.554 -0.518 0.000 2.906 240 T HA 0.621 4.973 4.350 0.003 0.000 0.295 240 T C -0.794 173.670 174.700 -0.393 0.000 1.075 240 T CA -1.047 60.829 62.100 -0.373 0.000 1.005 240 T CB 2.161 70.777 68.868 -0.419 0.000 1.136 240 T HN 0.665 nan 8.240 nan 0.000 0.498 241 Q N 0.356 120.141 119.800 -0.026 0.000 2.379 241 Q HA 0.699 5.041 4.340 0.003 0.000 0.278 241 Q C -1.988 174.156 176.000 0.239 0.000 1.068 241 Q CA -1.058 54.794 55.803 0.081 0.000 0.816 241 Q CB 2.962 31.758 28.738 0.096 0.000 1.387 241 Q HN 0.637 nan 8.270 nan 0.000 0.413 242 L N 1.471 122.810 121.223 0.193 0.000 2.439 242 L HA 0.471 4.813 4.340 0.003 0.000 0.270 242 L C -0.489 176.388 176.870 0.011 0.000 0.972 242 L CA -0.117 54.773 54.840 0.082 0.000 0.836 242 L CB 2.025 44.162 42.059 0.131 0.000 1.255 242 L HN 0.806 nan 8.230 nan 0.000 0.404 243 S N 3.575 119.165 115.700 -0.183 0.000 2.617 243 S HA 0.420 4.892 4.470 0.003 0.000 0.259 243 S C 0.140 174.623 174.600 -0.196 0.000 1.301 243 S CA -0.570 57.407 58.200 -0.372 0.000 0.984 243 S CB 0.556 63.195 63.200 -0.936 0.000 0.954 243 S HN 0.704 nan 8.310 nan 0.000 0.572 244 Q N 0.928 120.626 119.800 -0.171 0.000 2.454 244 Q HA 0.282 4.623 4.340 0.003 0.000 0.247 244 Q C -2.257 173.671 176.000 -0.121 0.000 1.028 244 Q CA -1.407 54.335 55.803 -0.102 0.000 0.910 244 Q CB -0.356 28.340 28.738 -0.070 0.000 1.276 244 Q HN 0.500 nan 8.270 nan 0.000 0.489 245 P HA -0.036 nan 4.420 nan 0.000 0.267 245 P C 0.245 177.505 177.300 -0.068 0.000 1.200 245 P CA 0.571 63.640 63.100 -0.052 0.000 0.772 245 P CB 0.296 32.002 31.700 0.011 0.000 0.855 246 I N -0.581 119.959 120.570 -0.050 0.000 4.312 246 I HA 0.372 4.544 4.170 0.003 0.000 0.324 246 I C 0.439 176.561 176.117 0.008 0.000 1.298 246 I CA 0.122 61.404 61.300 -0.030 0.000 1.231 246 I CB 0.225 38.205 38.000 -0.034 0.000 1.152 246 I HN 0.307 nan 8.210 nan 0.000 0.421 247 E N 0.787 120.998 120.200 0.019 0.000 2.432 247 E HA 0.362 4.714 4.350 0.003 0.000 0.279 247 E C -1.365 175.274 176.600 0.064 0.000 1.099 247 E CA -0.832 55.585 56.400 0.028 0.000 0.859 247 E CB 1.213 30.924 29.700 0.018 0.000 1.402 247 E HN -0.067 nan 8.360 nan 0.000 0.451 248 T N 0.801 115.358 114.554 0.004 0.000 2.867 248 T HA 0.483 4.835 4.350 0.003 0.000 0.282 248 T C -0.460 174.174 174.700 -0.109 0.000 1.000 248 T CA -0.551 61.555 62.100 0.011 0.000 1.042 248 T CB 1.386 70.211 68.868 -0.072 0.000 0.973 248 T HN 0.309 nan 8.240 nan 0.000 0.465 249 V N 5.188 125.046 119.914 -0.095 0.000 2.513 249 V HA 0.735 4.857 4.120 0.003 0.000 0.299 249 V C 0.048 176.110 176.094 -0.052 0.000 1.035 249 V CA -0.656 61.604 62.300 -0.067 0.000 0.889 249 V CB 1.315 33.109 31.823 -0.049 0.000 0.988 249 V HN 0.942 nan 8.190 nan 0.000 0.440 250 M N 4.582 124.194 119.600 0.020 0.000 2.813 250 M HA 0.673 5.155 4.480 0.003 0.000 0.270 250 M C -2.248 174.115 176.300 0.104 0.000 1.267 250 M CA -0.841 54.481 55.300 0.036 0.000 0.822 250 M CB 2.273 34.869 32.600 -0.007 0.000 1.671 250 M HN 0.303 nan 8.290 nan 0.000 0.468 251 L N 1.763 123.008 121.223 0.037 0.000 2.343 251 L HA 0.811 5.153 4.340 0.003 0.000 0.275 251 L C 0.019 176.959 176.870 0.117 0.000 1.056 251 L CA -0.853 53.969 54.840 -0.030 0.000 0.804 251 L CB 1.632 43.594 42.059 -0.161 0.000 1.203 251 L HN 0.887 nan 8.230 nan 0.000 0.440 252 A N 4.309 127.183 122.820 0.091 0.000 2.276 252 A HA 0.723 5.045 4.320 0.003 0.000 0.316 252 A C -0.588 177.006 177.584 0.017 0.000 1.229 252 A CA -0.509 51.583 52.037 0.093 0.000 0.851 252 A CB 0.486 19.524 19.000 0.064 0.000 1.165 252 A HN 0.643 nan 8.150 nan 0.000 0.513 253 L N 2.363 123.556 121.223 -0.050 0.000 2.295 253 L HA 0.350 4.691 4.340 0.003 0.000 0.285 253 L C 0.254 177.117 176.870 -0.011 0.000 1.035 253 L CA -0.927 53.898 54.840 -0.025 0.000 0.806 253 L CB 1.193 43.193 42.059 -0.097 0.000 1.214 253 L HN 0.695 nan 8.230 nan 0.000 0.426 254 N N 1.490 120.194 118.700 0.007 0.000 2.415 254 N HA 0.014 4.756 4.740 0.003 0.000 0.250 254 N C 1.058 176.468 175.510 -0.167 0.000 1.127 254 N CA -0.096 52.860 53.050 -0.156 0.000 0.945 254 N CB 1.108 39.326 38.487 -0.448 0.000 1.196 254 N HN 0.727 nan 8.380 nan 0.000 0.499 255 T N 0.114 114.572 114.554 -0.161 0.000 3.113 255 T HA 0.020 4.372 4.350 0.003 0.000 0.263 255 T C 1.176 175.796 174.700 -0.133 0.000 1.143 255 T CA 0.757 62.774 62.100 -0.138 0.000 1.090 255 T CB 0.062 68.848 68.868 -0.138 0.000 0.922 255 T HN 0.359 nan 8.240 nan 0.000 0.521 256 A N 0.125 122.844 122.820 -0.168 0.000 2.430 256 A HA 0.441 4.763 4.320 0.003 0.000 0.243 256 A C 0.696 178.196 177.584 -0.140 0.000 1.254 256 A CA -0.445 51.502 52.037 -0.150 0.000 0.914 256 A CB 0.090 18.989 19.000 -0.169 0.000 0.998 256 A HN 0.448 nan 8.150 nan 0.000 0.515 257 K N 0.626 120.937 120.400 -0.148 0.000 2.443 257 K HA 0.636 4.958 4.320 0.003 0.000 0.252 257 K C -0.430 176.123 176.600 -0.077 0.000 0.933 257 K CA -0.580 55.633 56.287 -0.123 0.000 0.792 257 K CB 1.734 34.129 32.500 -0.175 0.000 1.185 257 K HN 0.150 nan 8.250 nan 0.000 0.425 258 A N 4.486 127.284 122.820 -0.037 0.000 2.498 258 A HA 0.209 4.531 4.320 0.003 0.000 0.239 258 A C -1.752 175.825 177.584 -0.010 0.000 1.068 258 A CA -0.793 51.249 52.037 0.008 0.000 0.766 258 A CB -0.074 18.956 19.000 0.049 0.000 1.003 258 A HN 0.691 nan 8.150 nan 0.000 0.497 259 P HA 0.028 nan 4.420 nan 0.000 0.261 259 P C 0.948 178.209 177.300 -0.066 0.000 1.268 259 P CA 0.845 63.938 63.100 -0.012 0.000 0.833 259 P CB -0.053 31.529 31.700 -0.197 0.000 1.231 260 T N -2.080 112.422 114.554 -0.086 0.000 3.163 260 T HA -0.090 4.262 4.350 0.003 0.000 0.260 260 T C 1.491 176.146 174.700 -0.074 0.000 1.156 260 T CA 0.470 62.514 62.100 -0.092 0.000 1.072 260 T CB -1.069 67.743 68.868 -0.094 0.000 0.937 260 T HN 0.156 nan 8.240 nan 0.000 0.528 261 N N 1.709 120.378 118.700 -0.051 0.000 2.453 261 N HA -0.108 4.634 4.740 0.003 0.000 0.183 261 N C 0.140 175.640 175.510 -0.017 0.000 1.041 261 N CA 0.410 53.434 53.050 -0.044 0.000 0.900 261 N CB -0.233 38.234 38.487 -0.032 0.000 0.961 261 N HN 0.565 nan 8.380 nan 0.000 0.443 262 E N 0.650 120.857 120.200 0.011 0.000 2.194 262 E HA 0.066 4.418 4.350 0.003 0.000 0.284 262 E C 0.729 177.333 176.600 0.008 0.000 1.035 262 E CA -0.515 55.911 56.400 0.043 0.000 0.836 262 E CB 1.803 31.586 29.700 0.138 0.000 1.070 262 E HN 0.038 nan 8.360 nan 0.000 0.401 263 L N 4.463 125.689 121.223 0.005 0.000 2.043 263 L HA -0.263 4.079 4.340 0.003 0.000 0.212 263 L C 2.049 178.921 176.870 0.004 0.000 1.075 263 L CA 2.527 57.362 54.840 -0.008 0.000 0.752 263 L CB -0.503 41.555 42.059 -0.002 0.000 0.891 263 L HN 0.691 nan 8.230 nan 0.000 0.432 264 A N -1.408 121.434 122.820 0.036 0.000 1.933 264 A HA -0.123 4.199 4.320 0.003 0.000 0.218 264 A C 2.251 179.847 177.584 0.020 0.000 1.175 264 A CA 1.832 53.899 52.037 0.051 0.000 0.628 264 A CB -1.017 18.039 19.000 0.092 0.000 0.814 264 A HN 0.335 nan 8.150 nan 0.000 0.444 265 V N 0.068 119.972 119.914 -0.018 0.000 2.307 265 V HA -0.265 3.857 4.120 0.003 0.000 0.245 265 V C 2.632 178.668 176.094 -0.097 0.000 1.045 265 V CA 2.199 64.427 62.300 -0.121 0.000 1.024 265 V CB -0.806 30.886 31.823 -0.219 0.000 0.651 265 V HN 0.531 nan 8.190 nan 0.000 0.449 266 R N -0.122 120.331 120.500 -0.079 0.000 2.081 266 R HA -0.191 4.151 4.340 0.003 0.000 0.235 266 R C 2.306 178.557 176.300 -0.082 0.000 1.131 266 R CA 1.785 57.832 56.100 -0.088 0.000 0.960 266 R CB -0.347 29.896 30.300 -0.094 0.000 0.856 266 R HN 0.628 nan 8.270 nan 0.000 0.436 267 E N 0.532 120.702 120.200 -0.049 0.000 2.077 267 E HA -0.182 4.170 4.350 0.003 0.000 0.193 267 E C 2.097 178.733 176.600 0.060 0.000 0.989 267 E CA 1.189 57.573 56.400 -0.027 0.000 0.800 267 E CB -0.134 29.601 29.700 0.058 0.000 0.746 267 E HN 0.358 nan 8.360 nan 0.000 0.452 268 A N 1.373 124.243 122.820 0.084 0.000 1.883 268 A HA -0.193 4.129 4.320 0.003 0.000 0.217 268 A C 2.226 179.847 177.584 0.061 0.000 1.186 268 A CA 1.219 53.322 52.037 0.109 0.000 0.624 268 A CB -0.778 18.234 19.000 0.020 0.000 0.822 268 A HN 0.141 nan 8.150 nan 0.000 0.444 269 L N -0.299 120.911 121.223 -0.022 0.000 2.042 269 L HA -0.225 4.117 4.340 0.003 0.000 0.210 269 L C 2.263 179.109 176.870 -0.040 0.000 1.076 269 L CA 1.455 56.270 54.840 -0.042 0.000 0.749 269 L CB -0.777 41.234 42.059 -0.081 0.000 0.893 269 L HN 0.459 nan 8.230 nan 0.000 0.432 270 N N -0.777 117.866 118.700 -0.095 0.000 2.381 270 N HA -0.164 4.578 4.740 0.003 0.000 0.182 270 N C 1.543 176.937 175.510 -0.193 0.000 1.025 270 N CA 1.161 54.105 53.050 -0.176 0.000 0.888 270 N CB 0.076 38.388 38.487 -0.291 0.000 0.965 270 N HN 0.369 nan 8.380 nan 0.000 0.438 271 Y N 0.195 120.491 120.300 -0.006 0.000 2.500 271 Y HA 0.233 4.785 4.550 0.003 0.000 0.270 271 Y C 2.082 178.012 175.900 0.049 0.000 1.134 271 Y CA -0.071 58.033 58.100 0.007 0.000 1.293 271 Y CB 0.046 38.487 38.460 -0.030 0.000 1.063 271 Y HN -0.004 nan 8.280 nan 0.000 0.534 272 A N -0.504 122.426 122.820 0.182 0.000 2.021 272 A HA 0.139 4.461 4.320 0.003 0.000 0.216 272 A C 0.747 178.482 177.584 0.251 0.000 1.163 272 A CA 0.366 52.508 52.037 0.176 0.000 0.676 272 A CB -0.436 18.613 19.000 0.082 0.000 0.818 272 A HN 0.004 nan 8.150 nan 0.000 0.453 273 V N 2.050 122.066 119.914 0.170 0.000 2.432 273 V HA 0.143 4.265 4.120 0.003 0.000 0.275 273 V C 0.019 176.104 176.094 -0.015 0.000 1.043 273 V CA -0.767 61.568 62.300 0.057 0.000 0.925 273 V CB 1.016 32.832 31.823 -0.011 0.000 0.985 273 V HN 0.462 nan 8.190 nan 0.000 0.466 274 N N 4.563 123.041 118.700 -0.370 0.000 2.508 274 N HA 0.128 4.869 4.740 0.003 0.000 0.253 274 N C 1.032 176.363 175.510 -0.299 0.000 1.145 274 N CA 0.098 52.735 53.050 -0.688 0.000 0.973 274 N CB 0.498 38.338 38.487 -1.079 0.000 1.305 274 N HN 0.594 nan 8.380 nan 0.000 0.506 275 K N 1.742 122.041 120.400 -0.169 0.000 2.057 275 K HA -0.076 4.246 4.320 0.003 0.000 0.207 275 K C 1.573 178.100 176.600 -0.122 0.000 1.049 275 K CA 0.815 57.030 56.287 -0.120 0.000 0.931 275 K CB 0.231 32.676 32.500 -0.091 0.000 0.714 275 K HN 0.302 nan 8.250 nan 0.000 0.440 276 K N 0.744 121.073 120.400 -0.119 0.000 2.009 276 K HA -0.131 4.191 4.320 0.003 0.000 0.210 276 K C 2.368 178.898 176.600 -0.117 0.000 1.049 276 K CA 1.331 57.558 56.287 -0.100 0.000 0.929 276 K CB -0.501 31.953 32.500 -0.077 0.000 0.714 276 K HN 0.027 nan 8.250 nan 0.000 0.440 277 S N 1.185 116.792 115.700 -0.155 0.000 2.382 277 S HA -0.097 4.375 4.470 0.003 0.000 0.228 277 S C 2.026 176.551 174.600 -0.124 0.000 1.027 277 S CA 0.919 59.032 58.200 -0.145 0.000 0.991 277 S CB -0.177 62.915 63.200 -0.180 0.000 0.823 277 S HN 0.324 nan 8.310 nan 0.000 0.469 278 L N 0.815 121.961 121.223 -0.128 0.000 2.012 278 L HA -0.050 4.292 4.340 0.003 0.000 0.210 278 L C 2.132 178.950 176.870 -0.086 0.000 1.073 278 L CA 1.696 56.476 54.840 -0.099 0.000 0.748 278 L CB -0.320 41.684 42.059 -0.092 0.000 0.891 278 L HN 0.382 nan 8.230 nan 0.000 0.431 279 I N -0.219 120.297 120.570 -0.089 0.000 2.315 279 I HA -0.276 3.896 4.170 0.003 0.000 0.248 279 I C 1.950 178.022 176.117 -0.075 0.000 1.117 279 I CA 1.122 62.375 61.300 -0.078 0.000 1.404 279 I CB -0.502 37.452 38.000 -0.078 0.000 1.071 279 I HN 0.309 nan 8.210 nan 0.000 0.419 280 D N 0.711 121.055 120.400 -0.094 0.000 2.144 280 D HA -0.139 4.503 4.640 0.003 0.000 0.199 280 D C 1.896 178.123 176.300 -0.122 0.000 0.984 280 D CA 1.094 55.020 54.000 -0.125 0.000 0.834 280 D CB -0.279 40.442 40.800 -0.131 0.000 0.955 280 D HN 0.370 nan 8.370 nan 0.000 0.465 281 N N 0.208 118.857 118.700 -0.084 0.000 2.245 281 N HA 0.011 4.753 4.740 0.003 0.000 0.185 281 N C 1.742 177.243 175.510 -0.016 0.000 1.036 281 N CA 0.986 54.004 53.050 -0.054 0.000 0.857 281 N CB -0.054 38.399 38.487 -0.057 0.000 1.015 281 N HN 0.060 nan 8.380 nan 0.000 0.436 282 A N 0.662 123.461 122.820 -0.036 0.000 1.970 282 A HA 0.138 4.460 4.320 0.003 0.000 0.216 282 A C 1.767 179.336 177.584 -0.025 0.000 1.170 282 A CA 0.767 52.780 52.037 -0.040 0.000 0.645 282 A CB -0.153 18.804 19.000 -0.072 0.000 0.816 282 A HN 0.191 nan 8.150 nan 0.000 0.447 283 L N -3.233 117.982 121.223 -0.014 0.000 2.959 283 L HA 0.282 4.624 4.340 0.003 0.000 0.259 283 L C 0.325 177.250 176.870 0.092 0.000 1.185 283 L CA -0.368 54.471 54.840 -0.001 0.000 0.998 283 L CB 0.101 42.132 42.059 -0.047 0.000 1.337 283 L HN 0.373 nan 8.230 nan 0.000 0.555 284 Y N 1.783 122.051 120.300 -0.053 0.000 3.721 284 Y HA -0.321 4.228 4.550 -0.001 0.000 0.218 284 Y C 1.391 177.278 175.900 -0.021 0.000 1.188 284 Y CA 0.700 58.781 58.100 -0.033 0.000 1.607 284 Y CB -1.266 37.181 38.460 -0.021 0.000 1.496 284 Y HN 0.446 nan 8.280 nan 0.000 0.626 285 G N -0.577 108.198 108.800 -0.041 0.000 2.179 285 G HA2 -0.392 3.570 3.960 0.003 0.000 0.257 285 G HA3 -0.392 3.570 3.960 0.003 0.000 0.257 285 G C 0.872 175.777 174.900 0.008 0.000 1.010 285 G CA 1.091 46.161 45.100 -0.051 0.000 0.736 285 G HN 1.267 nan 8.290 nan 0.000 0.513 286 T N -3.566 111.012 114.554 0.040 0.000 3.067 286 T HA 0.352 4.704 4.350 0.003 0.000 0.257 286 T C 1.012 175.712 174.700 0.001 0.000 1.105 286 T CA 1.253 63.383 62.100 0.051 0.000 1.104 286 T CB 0.416 69.322 68.868 0.064 0.000 0.925 286 T HN 0.421 nan 8.240 nan 0.000 0.498 287 Q N 0.726 120.512 119.800 -0.023 0.000 2.486 287 Q HA 0.538 4.879 4.340 0.003 0.000 0.274 287 Q C -0.684 175.300 176.000 -0.027 0.000 1.076 287 Q CA -0.683 55.098 55.803 -0.036 0.000 0.872 287 Q CB 1.315 30.015 28.738 -0.062 0.000 1.383 287 Q HN 0.457 nan 8.270 nan 0.000 0.478 288 Q N 0.042 119.833 119.800 -0.015 0.000 2.257 288 Q HA 0.500 4.842 4.340 0.003 0.000 0.262 288 Q C -0.616 175.331 176.000 -0.089 0.000 0.997 288 Q CA -0.798 55.002 55.803 -0.004 0.000 0.873 288 Q CB 2.134 30.925 28.738 0.090 0.000 1.312 288 Q HN 0.257 nan 8.270 nan 0.000 0.450 289 V N 1.540 121.400 119.914 -0.091 0.000 2.585 289 V HA 0.239 4.361 4.120 0.003 0.000 0.296 289 V C -0.061 175.834 176.094 -0.332 0.000 1.035 289 V CA -0.010 62.191 62.300 -0.165 0.000 1.084 289 V CB 0.796 32.567 31.823 -0.087 0.000 0.953 289 V HN 0.814 nan 8.190 nan 0.000 0.483 290 A N 3.526 126.021 122.820 -0.541 0.000 2.304 290 A HA 0.585 4.907 4.320 0.003 0.000 0.323 290 A C 0.375 177.780 177.584 -0.299 0.000 1.195 290 A CA -0.572 50.937 52.037 -0.880 0.000 0.826 290 A CB 0.613 18.881 19.000 -1.220 0.000 1.184 290 A HN 0.837 nan 8.150 nan 0.000 0.496 291 D N 0.628 120.985 120.400 -0.072 0.000 2.423 291 D HA 0.083 4.725 4.640 0.003 0.000 0.212 291 D C 0.478 176.864 176.300 0.143 0.000 1.060 291 D CA 1.546 55.575 54.000 0.049 0.000 0.872 291 D CB 0.632 41.488 40.800 0.093 0.000 1.012 291 D HN 0.686 nan 8.370 nan 0.000 0.503 292 T N -1.510 113.148 114.554 0.172 0.000 2.906 292 T HA 0.299 4.651 4.350 0.003 0.000 0.295 292 T C 0.934 175.702 174.700 0.114 0.000 1.075 292 T CA -0.776 61.434 62.100 0.182 0.000 1.005 292 T CB 2.327 71.249 68.868 0.090 0.000 1.136 292 T HN -0.192 nan 8.240 nan 0.000 0.498 293 L N 0.463 121.690 121.223 0.006 0.000 2.021 293 L HA 0.180 4.522 4.340 0.003 0.000 0.215 293 L C -0.047 176.509 176.870 -0.523 0.000 1.074 293 L CA 1.772 56.401 54.840 -0.352 0.000 0.760 293 L CB -0.737 41.019 42.059 -0.506 0.000 0.889 293 L HN 0.713 nan 8.230 nan 0.000 0.433 294 F N -0.513 119.430 119.950 -0.012 0.000 2.469 294 F HA 0.614 5.143 4.527 0.003 0.000 0.332 294 F C 0.782 176.516 175.800 -0.110 0.000 1.103 294 F CA -0.805 57.147 58.000 -0.080 0.000 0.979 294 F CB 0.777 39.715 39.000 -0.103 0.000 1.137 294 F HN -0.004 nan 8.300 nan 0.000 0.463 295 A N 3.963 126.648 122.820 -0.225 0.000 2.507 295 A HA 0.209 4.531 4.320 0.003 0.000 0.235 295 A C -1.725 175.733 177.584 -0.210 0.000 1.070 295 A CA -0.924 50.755 52.037 -0.596 0.000 0.768 295 A CB -0.192 18.130 19.000 -1.130 0.000 1.011 295 A HN 0.632 nan 8.150 nan 0.000 0.502 296 P HA -0.145 nan 4.420 nan 0.000 0.219 296 P C 1.452 178.691 177.300 -0.101 0.000 1.146 296 P CA 1.851 64.902 63.100 -0.082 0.000 0.808 296 P CB 0.038 31.707 31.700 -0.052 0.000 0.779 297 S N -2.090 113.527 115.700 -0.139 0.000 2.522 297 S HA 0.010 4.482 4.470 0.003 0.000 0.227 297 S C 0.859 175.382 174.600 -0.127 0.000 0.986 297 S CA -0.008 58.118 58.200 -0.123 0.000 0.929 297 S CB -1.178 61.950 63.200 -0.121 0.000 0.769 297 S HN -0.128 nan 8.310 nan 0.000 0.529 298 V N 3.854 123.685 119.914 -0.139 0.000 2.715 298 V HA 0.237 4.359 4.120 0.003 0.000 0.299 298 V C -2.138 173.839 176.094 -0.195 0.000 1.054 298 V CA -1.761 60.445 62.300 -0.156 0.000 1.077 298 V CB 0.211 31.934 31.823 -0.168 0.000 0.972 298 V HN 0.228 nan 8.190 nan 0.000 0.484 299 P HA 0.040 nan 4.420 nan 0.000 0.264 299 P C -0.369 176.724 177.300 -0.345 0.000 1.183 299 P CA 0.539 63.427 63.100 -0.353 0.000 0.763 299 P CB -0.055 31.460 31.700 -0.308 0.000 0.807 300 Y N 0.507 120.665 120.300 -0.237 0.000 4.916 300 Y HA -0.292 4.260 4.550 0.003 0.000 0.247 300 Y C 1.408 177.201 175.900 -0.178 0.000 0.962 300 Y CA 1.076 59.022 58.100 -0.258 0.000 1.933 300 Y CB -2.610 35.480 38.460 -0.617 0.000 1.451 300 Y HN 0.474 nan 8.280 nan 0.000 0.539 301 A N -0.446 122.339 122.820 -0.058 0.000 2.390 301 A HA 0.192 4.514 4.320 0.003 0.000 0.232 301 A C 0.822 178.408 177.584 0.003 0.000 1.233 301 A CA 0.099 52.134 52.037 -0.003 0.000 0.907 301 A CB 0.014 19.010 19.000 -0.006 0.000 0.967 301 A HN 0.441 nan 8.150 nan 0.000 0.512 302 N N 1.285 119.973 118.700 -0.019 0.000 2.663 302 N HA 0.326 5.068 4.740 0.003 0.000 0.250 302 N C -0.030 175.482 175.510 0.004 0.000 1.129 302 N CA -0.093 52.946 53.050 -0.018 0.000 0.995 302 N CB 0.296 38.762 38.487 -0.034 0.000 1.324 302 N HN 0.354 nan 8.380 nan 0.000 0.512 303 L N 1.602 122.829 121.223 0.007 0.000 2.858 303 L HA 0.307 4.649 4.340 0.003 0.000 0.251 303 L C 1.309 178.181 176.870 0.004 0.000 1.149 303 L CA -0.063 54.788 54.840 0.017 0.000 0.955 303 L CB 0.412 42.489 42.059 0.030 0.000 1.289 303 L HN 0.591 nan 8.230 nan 0.000 0.542 304 G N 1.722 110.517 108.800 -0.008 0.000 2.249 304 G HA2 -0.284 3.678 3.960 0.003 0.000 0.273 304 G HA3 -0.284 3.678 3.960 0.003 0.000 0.273 304 G C 0.213 175.101 174.900 -0.021 0.000 1.036 304 G CA -0.040 45.057 45.100 -0.006 0.000 0.824 304 G HN 0.232 nan 8.290 nan 0.000 0.504 305 L N -0.471 120.704 121.223 -0.079 0.000 2.485 305 L HA 0.203 4.545 4.340 0.003 0.000 0.275 305 L C 1.219 178.039 176.870 -0.083 0.000 1.207 305 L CA 0.083 54.823 54.840 -0.167 0.000 0.855 305 L CB 0.587 42.327 42.059 -0.531 0.000 1.114 305 L HN 0.230 nan 8.230 nan 0.000 0.485 306 K N 5.275 125.701 120.400 0.043 0.000 2.312 306 K HA 0.251 4.573 4.320 0.003 0.000 0.287 306 K C -2.176 174.549 176.600 0.208 0.000 1.062 306 K CA -1.487 54.871 56.287 0.119 0.000 0.934 306 K CB 0.759 33.337 32.500 0.130 0.000 1.027 306 K HN 0.265 nan 8.250 nan 0.000 0.478 307 P HA 0.036 nan 4.420 nan 0.000 0.271 307 P C -1.027 176.325 177.300 0.086 0.000 1.218 307 P CA -0.371 62.809 63.100 0.134 0.000 0.780 307 P CB 1.100 32.855 31.700 0.091 0.000 0.901 308 S N 2.491 118.175 115.700 -0.026 0.000 2.464 308 S HA 0.151 4.623 4.470 0.003 0.000 0.313 308 S C 0.382 174.942 174.600 -0.066 0.000 1.078 308 S CA -0.539 57.524 58.200 -0.228 0.000 1.096 308 S CB -0.015 62.776 63.200 -0.682 0.000 1.032 308 S HN 0.317 nan 8.310 nan 0.000 0.498 309 Q N 1.332 121.213 119.800 0.136 0.000 2.396 309 Q HA 0.151 4.493 4.340 0.003 0.000 0.221 309 Q C -0.201 175.955 176.000 0.260 0.000 1.025 309 Q CA -0.422 55.483 55.803 0.170 0.000 0.946 309 Q CB 0.388 29.219 28.738 0.156 0.000 1.224 309 Q HN 0.676 nan 8.270 nan 0.000 0.539 310 Y N 1.771 122.125 120.300 0.091 0.000 2.713 310 Y HA -0.011 4.542 4.550 0.004 0.000 0.341 310 Y C -0.657 175.300 175.900 0.096 0.000 1.167 310 Y CA 0.316 58.467 58.100 0.085 0.000 1.503 310 Y CB 0.138 38.619 38.460 0.035 0.000 1.199 310 Y HN 0.376 nan 8.280 nan 0.000 0.525 311 D N 9.263 129.526 120.400 -0.228 0.000 2.527 311 D HA 0.185 4.826 4.640 0.003 0.000 0.242 311 D C -2.276 173.849 176.300 -0.291 0.000 1.285 311 D CA -1.529 52.282 54.000 -0.314 0.000 0.886 311 D CB 1.295 41.986 40.800 -0.180 0.000 1.402 311 D HN 0.294 nan 8.370 nan 0.000 0.528 312 P HA -0.149 nan 4.420 nan 0.000 0.220 312 P C 1.305 178.514 177.300 -0.151 0.000 1.148 312 P CA 0.808 63.791 63.100 -0.194 0.000 0.803 312 P CB 0.695 32.292 31.700 -0.172 0.000 0.782 313 Q N 0.544 120.234 119.800 -0.183 0.000 2.046 313 Q HA -0.102 4.240 4.340 0.003 0.000 0.200 313 Q C 2.212 178.109 176.000 -0.171 0.000 0.975 313 Q CA 1.323 57.038 55.803 -0.147 0.000 0.836 313 Q CB -0.651 28.006 28.738 -0.136 0.000 0.896 313 Q HN 0.360 nan 8.270 nan 0.000 0.428 314 K N 0.428 120.668 120.400 -0.266 0.000 2.032 314 K HA -0.123 4.199 4.320 0.003 0.000 0.209 314 K C 2.076 178.506 176.600 -0.283 0.000 1.048 314 K CA 1.237 57.292 56.287 -0.386 0.000 0.927 314 K CB -0.166 31.844 32.500 -0.818 0.000 0.712 314 K HN 0.159 nan 8.250 nan 0.000 0.441 315 A N 1.872 124.579 122.820 -0.189 0.000 1.865 315 A HA -0.231 4.091 4.320 0.003 0.000 0.217 315 A C 1.992 179.559 177.584 -0.028 0.000 1.191 315 A CA 1.788 53.810 52.037 -0.025 0.000 0.623 315 A CB -0.412 18.610 19.000 0.037 0.000 0.826 315 A HN 0.242 nan 8.150 nan 0.000 0.444 316 K N -0.535 119.839 120.400 -0.044 0.000 2.063 316 K HA -0.120 4.202 4.320 0.003 0.000 0.208 316 K C 2.327 178.918 176.600 -0.015 0.000 1.048 316 K CA 1.202 57.476 56.287 -0.022 0.000 0.928 316 K CB -0.363 32.120 32.500 -0.029 0.000 0.713 316 K HN 0.464 nan 8.250 nan 0.000 0.442 317 A N 1.369 124.162 122.820 -0.046 0.000 1.902 317 A HA -0.144 4.178 4.320 0.003 0.000 0.217 317 A C 2.129 179.705 177.584 -0.014 0.000 1.181 317 A CA 1.265 53.279 52.037 -0.038 0.000 0.623 317 A CB -0.591 18.366 19.000 -0.071 0.000 0.818 317 A HN 0.167 nan 8.150 nan 0.000 0.443 318 L N -0.780 120.434 121.223 -0.015 0.000 2.046 318 L HA -0.163 4.179 4.340 0.003 0.000 0.208 318 L C 2.555 179.466 176.870 0.068 0.000 1.077 318 L CA 1.034 55.889 54.840 0.025 0.000 0.747 318 L CB -0.407 41.677 42.059 0.043 0.000 0.896 318 L HN 0.381 nan 8.230 nan 0.000 0.432 319 L N -0.968 120.298 121.223 0.072 0.000 2.093 319 L HA -0.158 4.184 4.340 0.003 0.000 0.208 319 L C 2.733 179.717 176.870 0.191 0.000 1.085 319 L CA 0.877 55.805 54.840 0.146 0.000 0.755 319 L CB -0.492 41.621 42.059 0.091 0.000 0.904 319 L HN 0.262 nan 8.230 nan 0.000 0.435 320 E N 0.477 120.741 120.200 0.106 0.000 2.038 320 E HA -0.235 4.117 4.350 0.003 0.000 0.195 320 E C 2.157 178.791 176.600 0.056 0.000 1.000 320 E CA 1.250 57.694 56.400 0.074 0.000 0.803 320 E CB -0.115 29.606 29.700 0.036 0.000 0.750 320 E HN 0.240 nan 8.360 nan 0.000 0.448 321 K N 0.787 121.215 120.400 0.048 0.000 2.113 321 K HA -0.087 4.235 4.320 0.003 0.000 0.208 321 K C 1.767 178.392 176.600 0.043 0.000 1.047 321 K CA 1.277 57.584 56.287 0.033 0.000 0.928 321 K CB -0.423 32.093 32.500 0.028 0.000 0.716 321 K HN 0.130 nan 8.250 nan 0.000 0.446 322 A N -0.835 122.041 122.820 0.093 0.000 2.238 322 A HA 0.309 4.630 4.320 0.003 0.000 0.208 322 A C 1.335 178.930 177.584 0.018 0.000 1.177 322 A CA 0.869 52.977 52.037 0.118 0.000 0.804 322 A CB -0.378 18.782 19.000 0.266 0.000 0.823 322 A HN 0.354 nan 8.150 nan 0.000 0.482 323 G N -2.791 105.996 108.800 -0.021 0.000 2.141 323 G HA2 -0.249 3.713 3.960 0.003 0.000 0.231 323 G HA3 -0.249 3.713 3.960 0.003 0.000 0.231 323 G C -0.241 174.495 174.900 -0.273 0.000 0.984 323 G CA -0.042 44.958 45.100 -0.166 0.000 0.660 323 G HN 0.447 nan 8.290 nan 0.000 0.525 324 W N 2.165 123.458 121.300 -0.011 0.000 2.360 324 W HA 0.565 5.228 4.660 0.004 0.000 0.344 324 W C 0.959 177.473 176.519 -0.010 0.000 1.025 324 W CA 0.137 57.476 57.345 -0.010 0.000 1.480 324 W CB 0.694 30.149 29.460 -0.008 0.000 1.350 324 W HN 0.374 nan 8.180 nan 0.000 0.382 325 T N 0.152 114.783 114.554 0.129 0.000 2.940 325 T HA 0.673 5.024 4.350 0.003 0.000 0.288 325 T C -0.527 174.221 174.700 0.080 0.000 1.033 325 T CA -0.993 61.154 62.100 0.079 0.000 1.033 325 T CB 1.271 70.150 68.868 0.020 0.000 1.079 325 T HN 0.164 nan 8.240 nan 0.000 0.496 326 L N 3.600 124.858 121.223 0.058 0.000 2.278 326 L HA 0.428 4.770 4.340 0.003 0.000 0.287 326 L C -1.638 175.249 176.870 0.030 0.000 1.072 326 L CA -1.676 53.193 54.840 0.047 0.000 0.819 326 L CB 0.617 42.698 42.059 0.037 0.000 1.176 326 L HN 0.622 nan 8.230 nan 0.000 0.435 327 P HA 0.273 nan 4.420 nan 0.000 0.284 327 P C -0.504 176.804 177.300 0.014 0.000 1.287 327 P CA -0.721 62.389 63.100 0.016 0.000 0.824 327 P CB 0.987 32.696 31.700 0.014 0.000 1.180 328 A N 0.306 123.131 122.820 0.009 0.000 1.860 328 A HA 0.056 4.378 4.320 0.003 0.000 0.246 328 A C 1.397 178.986 177.584 0.009 0.000 1.217 328 A CA 1.214 53.255 52.037 0.007 0.000 0.766 328 A CB -2.317 16.686 19.000 0.006 0.000 1.122 328 A HN 1.210 nan 8.150 nan 0.000 0.316 329 G N -0.223 108.582 108.800 0.009 0.000 2.233 329 G HA2 -0.336 3.626 3.960 0.003 0.000 0.270 329 G HA3 -0.336 3.626 3.960 0.003 0.000 0.270 329 G C 0.274 175.181 174.900 0.012 0.000 1.011 329 G CA 1.287 46.393 45.100 0.010 0.000 0.762 329 G HN 0.997 nan 8.290 nan 0.000 0.511 330 K N -0.734 119.676 120.400 0.016 0.000 2.106 330 K HA 0.449 4.771 4.320 0.003 0.000 0.246 330 K C 0.166 176.780 176.600 0.023 0.000 0.987 330 K CA -0.673 55.626 56.287 0.020 0.000 0.904 330 K CB 0.748 33.263 32.500 0.024 0.000 1.071 330 K HN -0.045 nan 8.250 nan 0.000 0.453 331 D N 0.366 120.780 120.400 0.023 0.000 2.398 331 D HA 0.121 4.763 4.640 0.003 0.000 0.210 331 D C -0.193 176.123 176.300 0.026 0.000 1.094 331 D CA 0.328 54.341 54.000 0.022 0.000 0.839 331 D CB 0.569 41.379 40.800 0.017 0.000 0.963 331 D HN 0.205 nan 8.370 nan 0.000 0.506 332 I N 1.836 122.426 120.570 0.033 0.000 2.339 332 I HA 0.245 4.417 4.170 0.003 0.000 0.290 332 I C 0.792 176.953 176.117 0.073 0.000 0.994 332 I CA -0.706 60.619 61.300 0.041 0.000 1.191 332 I CB 1.177 39.198 38.000 0.035 0.000 1.343 332 I HN -0.359 nan 8.210 nan 0.000 0.458 333 R N 4.285 124.844 120.500 0.099 0.000 2.784 333 R HA 0.305 4.647 4.340 0.003 0.000 0.266 333 R C -0.295 176.171 176.300 0.277 0.000 1.044 333 R CA -0.040 56.170 56.100 0.183 0.000 1.151 333 R CB 0.738 31.183 30.300 0.240 0.000 1.037 333 R HN 0.553 nan 8.270 nan 0.000 0.478 334 E N 0.487 120.844 120.200 0.262 0.000 2.367 334 E HA 0.311 4.663 4.350 0.003 0.000 0.273 334 E C -1.285 175.291 176.600 -0.040 0.000 0.903 334 E CA -0.921 55.596 56.400 0.195 0.000 0.764 334 E CB 2.625 32.375 29.700 0.082 0.000 1.252 334 E HN 0.284 nan 8.360 nan 0.000 0.446 335 K N 2.117 122.324 120.400 -0.322 0.000 2.615 335 K HA 0.249 4.571 4.320 0.003 0.000 0.249 335 K C -1.060 175.294 176.600 -0.410 0.000 0.977 335 K CA -0.307 55.589 56.287 -0.651 0.000 0.833 335 K CB 0.559 32.056 32.500 -1.672 0.000 1.208 335 K HN 0.741 nan 8.250 nan 0.000 0.443 336 N N 3.204 121.749 118.700 -0.259 0.000 2.727 336 N HA -0.280 4.462 4.740 0.003 0.000 0.249 336 N C 0.499 175.946 175.510 -0.104 0.000 1.048 336 N CA 0.685 53.636 53.050 -0.165 0.000 0.714 336 N CB -0.737 37.648 38.487 -0.171 0.000 0.959 336 N HN 1.085 nan 8.380 nan 0.000 0.544 337 G N -0.511 108.243 108.800 -0.078 0.000 2.345 337 G HA2 -0.349 3.613 3.960 0.003 0.000 0.218 337 G HA3 -0.349 3.613 3.960 0.003 0.000 0.218 337 G C -0.144 174.757 174.900 0.001 0.000 1.058 337 G CA 0.345 45.425 45.100 -0.032 0.000 0.632 337 G HN 0.466 nan 8.290 nan 0.000 0.508 338 Q N 2.327 122.136 119.800 0.014 0.000 2.256 338 Q HA 0.493 4.835 4.340 0.003 0.000 0.254 338 Q C -2.299 173.819 176.000 0.197 0.000 0.916 338 Q CA -2.036 53.825 55.803 0.097 0.000 0.932 338 Q CB 1.985 30.804 28.738 0.135 0.000 1.207 338 Q HN 0.313 nan 8.270 nan 0.000 0.426 339 P HA -0.039 nan 4.420 nan 0.000 0.272 339 P C -0.544 176.901 177.300 0.242 0.000 1.223 339 P CA -0.363 62.856 63.100 0.199 0.000 0.784 339 P CB 0.581 32.342 31.700 0.101 0.000 0.923 340 L N 3.272 124.602 121.223 0.178 0.000 2.415 340 L HA 0.181 4.523 4.340 0.003 0.000 0.269 340 L C 0.516 177.310 176.870 -0.126 0.000 1.244 340 L CA 0.299 55.033 54.840 -0.177 0.000 1.113 340 L CB -1.326 40.502 42.059 -0.385 0.000 1.352 340 L HN 0.288 nan 8.230 nan 0.000 0.433 341 R N 4.235 124.692 120.500 -0.072 0.000 2.387 341 R HA 0.685 5.027 4.340 0.003 0.000 0.314 341 R C -1.256 175.006 176.300 -0.064 0.000 0.958 341 R CA -0.571 55.501 56.100 -0.047 0.000 0.846 341 R CB 0.953 31.252 30.300 -0.001 0.000 1.147 341 R HN 0.577 nan 8.270 nan 0.000 0.447 342 I N 3.041 123.573 120.570 -0.064 0.000 2.466 342 I HA 0.247 4.419 4.170 0.003 0.000 0.289 342 I C -0.360 175.744 176.117 -0.022 0.000 1.026 342 I CA -0.707 60.557 61.300 -0.060 0.000 1.078 342 I CB 2.225 40.169 38.000 -0.093 0.000 1.249 342 I HN 0.459 nan 8.210 nan 0.000 0.429 343 E N 5.455 125.655 120.200 -0.000 0.000 2.223 343 E HA 0.282 4.634 4.350 0.003 0.000 0.282 343 E C -0.967 175.661 176.600 0.046 0.000 1.046 343 E CA -0.682 55.737 56.400 0.031 0.000 0.857 343 E CB 1.767 31.490 29.700 0.038 0.000 1.055 343 E HN 0.247 nan 8.360 nan 0.000 0.409 344 L N 3.610 124.872 121.223 0.066 0.000 2.277 344 L HA 0.207 4.549 4.340 0.003 0.000 0.284 344 L C -0.537 176.467 176.870 0.223 0.000 1.028 344 L CA -0.358 54.527 54.840 0.075 0.000 0.835 344 L CB 0.869 42.929 42.059 0.003 0.000 1.215 344 L HN 0.386 nan 8.230 nan 0.000 0.425 345 S N 4.542 120.345 115.700 0.172 0.000 2.508 345 S HA 0.872 5.344 4.470 0.003 0.000 0.284 345 S C -0.461 174.307 174.600 0.280 0.000 1.192 345 S CA -0.561 57.731 58.200 0.154 0.000 1.070 345 S CB 1.040 64.281 63.200 0.068 0.000 1.004 345 S HN 0.562 nan 8.310 nan 0.000 0.493 346 F N -0.972 119.038 119.950 0.099 0.000 2.711 346 F HA 0.640 5.169 4.527 0.004 0.000 0.313 346 F C -1.306 174.545 175.800 0.086 0.000 1.141 346 F CA -1.846 56.249 58.000 0.158 0.000 0.941 346 F CB 0.573 39.760 39.000 0.312 0.000 1.349 346 F HN 0.443 nan 8.300 nan 0.000 0.464 347 I N 2.348 123.035 120.570 0.196 0.000 2.421 347 I HA 0.207 4.379 4.170 0.003 0.000 0.291 347 I C 1.434 177.588 176.117 0.062 0.000 1.089 347 I CA 0.282 61.612 61.300 0.050 0.000 1.354 347 I CB 0.730 38.770 38.000 0.066 0.000 1.413 347 I HN 1.015 nan 8.210 nan 0.000 0.513 348 G N 3.939 112.656 108.800 -0.138 0.000 2.448 348 G HA2 -0.227 3.735 3.960 0.003 0.000 0.219 348 G HA3 -0.227 3.735 3.960 0.003 0.000 0.219 348 G C 1.402 176.338 174.900 0.060 0.000 1.127 348 G CA 1.198 46.228 45.100 -0.116 0.000 0.766 348 G HN 0.666 nan 8.290 nan 0.000 0.552 349 T N -2.332 112.238 114.554 0.028 0.000 3.107 349 T HA 0.121 4.472 4.350 0.003 0.000 0.249 349 T C 0.559 175.271 174.700 0.021 0.000 1.096 349 T CA 0.092 62.205 62.100 0.022 0.000 1.012 349 T CB 0.313 69.178 68.868 -0.004 0.000 0.977 349 T HN 0.080 nan 8.240 nan 0.000 0.527 350 D N 1.556 121.984 120.400 0.047 0.000 2.374 350 D HA 0.455 5.097 4.640 0.003 0.000 0.240 350 D C 1.321 177.618 176.300 -0.004 0.000 1.229 350 D CA -0.104 53.899 54.000 0.005 0.000 0.895 350 D CB 1.113 41.914 40.800 0.001 0.000 1.046 350 D HN 0.222 nan 8.370 nan 0.000 0.498 351 A N 4.236 127.034 122.820 -0.037 0.000 1.933 351 A HA -0.184 4.138 4.320 0.003 0.000 0.218 351 A C 1.887 179.412 177.584 -0.099 0.000 1.175 351 A CA 0.818 52.827 52.037 -0.047 0.000 0.628 351 A CB -0.302 18.667 19.000 -0.052 0.000 0.814 351 A HN 0.580 nan 8.150 nan 0.000 0.444 352 L N -0.428 120.709 121.223 -0.143 0.000 2.072 352 L HA -0.015 4.327 4.340 0.003 0.000 0.205 352 L C 2.572 179.241 176.870 -0.335 0.000 1.079 352 L CA 2.243 56.959 54.840 -0.206 0.000 0.752 352 L CB -0.683 41.253 42.059 -0.206 0.000 0.906 352 L HN 0.288 nan 8.230 nan 0.000 0.436 353 S N -0.415 115.043 115.700 -0.402 0.000 2.356 353 S HA -0.245 4.227 4.470 0.003 0.000 0.223 353 S C 1.963 176.208 174.600 -0.591 0.000 1.032 353 S CA 1.645 59.418 58.200 -0.711 0.000 1.005 353 S CB -0.287 62.665 63.200 -0.414 0.000 0.867 353 S HN 0.432 nan 8.310 nan 0.000 0.449 354 K N 1.309 121.517 120.400 -0.320 0.000 2.026 354 K HA -0.137 4.185 4.320 0.003 0.000 0.208 354 K C 2.373 178.837 176.600 -0.226 0.000 1.048 354 K CA 1.727 57.847 56.287 -0.278 0.000 0.929 354 K CB -0.306 32.231 32.500 0.062 0.000 0.713 354 K HN 0.471 nan 8.250 nan 0.000 0.439 355 S N 0.704 116.305 115.700 -0.164 0.000 2.368 355 S HA -0.172 4.300 4.470 0.003 0.000 0.225 355 S C 2.123 176.652 174.600 -0.117 0.000 1.030 355 S CA 1.323 59.454 58.200 -0.115 0.000 0.999 355 S CB -0.383 62.762 63.200 -0.092 0.000 0.844 355 S HN 0.299 nan 8.310 nan 0.000 0.459 356 M N 1.612 121.120 119.600 -0.154 0.000 2.117 356 M HA -0.011 4.471 4.480 0.003 0.000 0.262 356 M C 2.768 179.086 176.300 0.030 0.000 1.065 356 M CA 1.532 56.797 55.300 -0.059 0.000 1.114 356 M CB -0.809 31.747 32.600 -0.073 0.000 1.361 356 M HN 0.575 nan 8.290 nan 0.000 0.408 357 A N 0.358 123.162 122.820 -0.027 0.000 1.933 357 A HA -0.179 4.143 4.320 0.003 0.000 0.218 357 A C 1.881 179.409 177.584 -0.094 0.000 1.175 357 A CA 1.725 53.705 52.037 -0.096 0.000 0.628 357 A CB -0.652 18.027 19.000 -0.534 0.000 0.814 357 A HN 0.534 nan 8.150 nan 0.000 0.444 358 E N -0.371 119.772 120.200 -0.094 0.000 2.077 358 E HA -0.143 4.209 4.350 0.003 0.000 0.193 358 E C 1.847 178.426 176.600 -0.035 0.000 0.989 358 E CA 1.237 57.610 56.400 -0.045 0.000 0.800 358 E CB -0.267 29.413 29.700 -0.035 0.000 0.746 358 E HN 0.711 nan 8.360 nan 0.000 0.452 359 I N 0.734 121.279 120.570 -0.041 0.000 2.202 359 I HA -0.251 3.921 4.170 0.003 0.000 0.242 359 I C 2.279 178.374 176.117 -0.037 0.000 1.091 359 I CA 0.923 62.198 61.300 -0.040 0.000 1.368 359 I CB -0.155 37.816 38.000 -0.050 0.000 1.058 359 I HN 0.085 nan 8.210 nan 0.000 0.410 360 I N 0.398 120.948 120.570 -0.034 0.000 2.163 360 I HA -0.365 3.807 4.170 0.003 0.000 0.243 360 I C 2.722 178.817 176.117 -0.037 0.000 1.085 360 I CA 1.560 62.836 61.300 -0.041 0.000 1.347 360 I CB -0.422 37.541 38.000 -0.062 0.000 1.044 360 I HN 0.346 nan 8.210 nan 0.000 0.408 361 Q N 0.954 120.734 119.800 -0.033 0.000 2.061 361 Q HA -0.265 4.077 4.340 0.003 0.000 0.204 361 Q C 2.311 178.304 176.000 -0.012 0.000 0.984 361 Q CA 2.125 57.916 55.803 -0.019 0.000 0.846 361 Q CB -0.126 28.609 28.738 -0.006 0.000 0.902 361 Q HN 0.565 nan 8.270 nan 0.000 0.421 362 A N 0.918 123.731 122.820 -0.011 0.000 1.877 362 A HA -0.213 4.109 4.320 0.003 0.000 0.216 362 A C 1.709 179.296 177.584 0.004 0.000 1.186 362 A CA 1.773 53.808 52.037 -0.004 0.000 0.620 362 A CB -0.677 18.318 19.000 -0.009 0.000 0.822 362 A HN 0.470 nan 8.150 nan 0.000 0.443 363 D N -0.356 120.045 120.400 0.001 0.000 2.104 363 D HA -0.143 4.499 4.640 0.003 0.000 0.194 363 D C 1.977 178.300 176.300 0.039 0.000 0.994 363 D CA 1.490 55.508 54.000 0.029 0.000 0.830 363 D CB -0.356 40.454 40.800 0.015 0.000 0.959 363 D HN 0.473 nan 8.370 nan 0.000 0.452 364 M N -0.232 119.374 119.600 0.009 0.000 2.394 364 M HA -0.041 4.441 4.480 0.003 0.000 0.264 364 M C 2.163 178.458 176.300 -0.007 0.000 1.073 364 M CA 0.583 55.880 55.300 -0.005 0.000 1.111 364 M CB 0.065 32.645 32.600 -0.033 0.000 1.401 364 M HN -0.099 nan 8.290 nan 0.000 0.448 365 R N 0.428 120.927 120.500 -0.001 0.000 2.120 365 R HA -0.158 4.184 4.340 0.003 0.000 0.234 365 R C 1.814 178.120 176.300 0.010 0.000 1.123 365 R CA 1.233 57.334 56.100 0.002 0.000 0.975 365 R CB 0.069 30.372 30.300 0.005 0.000 0.866 365 R HN 0.329 nan 8.270 nan 0.000 0.446 366 Q N 0.384 120.196 119.800 0.021 0.000 2.437 366 Q HA -0.106 4.236 4.340 0.003 0.000 0.210 366 Q C 1.729 177.741 176.000 0.019 0.000 0.972 366 Q CA 1.052 56.872 55.803 0.028 0.000 0.903 366 Q CB -0.011 28.759 28.738 0.053 0.000 0.967 366 Q HN 0.649 nan 8.270 nan 0.000 0.486 367 I N -5.352 115.225 120.570 0.012 0.000 3.974 367 I HA 0.489 4.661 4.170 0.003 0.000 0.334 367 I C 0.794 176.909 176.117 -0.004 0.000 1.437 367 I CA 0.314 61.614 61.300 0.001 0.000 1.113 367 I CB 0.443 38.442 38.000 -0.002 0.000 1.063 367 I HN 0.050 nan 8.210 nan 0.000 0.400 368 G N 1.532 110.331 108.800 -0.002 0.000 2.132 368 G HA2 -0.151 3.811 3.960 0.003 0.000 0.234 368 G HA3 -0.151 3.811 3.960 0.003 0.000 0.234 368 G C 0.215 175.101 174.900 -0.023 0.000 0.989 368 G CA -0.052 45.049 45.100 0.002 0.000 0.676 368 G HN 0.945 nan 8.290 nan 0.000 0.522 369 A N -0.102 122.688 122.820 -0.050 0.000 2.292 369 A HA 0.642 4.964 4.320 0.003 0.000 0.319 369 A C -0.321 177.230 177.584 -0.055 0.000 1.206 369 A CA -0.121 51.862 52.037 -0.089 0.000 0.835 369 A CB 1.036 19.957 19.000 -0.131 0.000 1.164 369 A HN 0.259 nan 8.150 nan 0.000 0.505 370 D N 2.577 122.946 120.400 -0.051 0.000 2.428 370 D HA 0.388 5.030 4.640 0.003 0.000 0.221 370 D C -0.677 175.605 176.300 -0.030 0.000 1.123 370 D CA 0.084 54.068 54.000 -0.026 0.000 0.869 370 D CB 0.968 41.763 40.800 -0.008 0.000 1.032 370 D HN 0.140 nan 8.370 nan 0.000 0.506 371 V N 3.354 123.254 119.914 -0.023 0.000 2.432 371 V HA 0.227 4.349 4.120 0.003 0.000 0.271 371 V C 0.451 176.553 176.094 0.014 0.000 1.046 371 V CA -0.501 61.789 62.300 -0.017 0.000 0.945 371 V CB 1.369 33.177 31.823 -0.026 0.000 0.992 371 V HN 0.498 nan 8.190 nan 0.000 0.471 372 S N 6.376 122.091 115.700 0.025 0.000 2.430 372 S HA 0.418 4.890 4.470 0.003 0.000 0.289 372 S C -0.287 174.370 174.600 0.095 0.000 1.143 372 S CA -0.551 57.678 58.200 0.048 0.000 1.067 372 S CB 0.638 63.859 63.200 0.035 0.000 0.964 372 S HN 0.408 nan 8.310 nan 0.000 0.485 373 L N 5.050 126.355 121.223 0.137 0.000 2.342 373 L HA 0.292 4.633 4.340 0.003 0.000 0.285 373 L C -0.239 176.749 176.870 0.196 0.000 1.095 373 L CA 0.072 55.087 54.840 0.292 0.000 0.843 373 L CB -0.156 42.102 42.059 0.331 0.000 1.201 373 L HN 0.544 nan 8.230 nan 0.000 0.445 374 I N 3.645 124.292 120.570 0.128 0.000 2.361 374 I HA 0.282 4.454 4.170 0.003 0.000 0.282 374 I C 0.988 176.845 176.117 -0.433 0.000 1.075 374 I CA -0.363 60.890 61.300 -0.078 0.000 1.205 374 I CB 0.629 38.615 38.000 -0.022 0.000 1.406 374 I HN 0.523 nan 8.210 nan 0.000 0.481 375 G N 5.591 114.033 108.800 -0.597 0.000 2.333 375 G HA2 0.523 4.485 3.960 0.003 0.000 0.290 375 G HA3 0.523 4.485 3.960 0.003 0.000 0.290 375 G C -0.143 174.506 174.900 -0.417 0.000 1.150 375 G CA -0.174 44.380 45.100 -0.910 0.000 0.895 375 G HN 0.601 nan 8.290 nan 0.000 0.444 376 E N 1.167 121.156 120.200 -0.351 0.000 2.445 376 E HA 0.245 4.597 4.350 0.003 0.000 0.273 376 E C -0.647 175.887 176.600 -0.111 0.000 0.961 376 E CA -0.811 55.487 56.400 -0.169 0.000 0.807 376 E CB 2.149 31.781 29.700 -0.113 0.000 1.362 376 E HN 0.547 nan 8.360 nan 0.000 0.453 377 E N 0.939 121.102 120.200 -0.062 0.000 2.373 377 E HA -0.023 4.328 4.350 0.003 0.000 0.263 377 E C 0.594 177.186 176.600 -0.013 0.000 1.073 377 E CA 0.091 56.470 56.400 -0.036 0.000 0.894 377 E CB 0.855 30.539 29.700 -0.026 0.000 1.008 377 E HN 0.515 nan 8.360 nan 0.000 0.420 378 E N 1.232 121.428 120.200 -0.006 0.000 2.097 378 E HA -0.264 4.088 4.350 0.003 0.000 0.196 378 E C 1.780 178.408 176.600 0.046 0.000 1.000 378 E CA 1.796 58.205 56.400 0.016 0.000 0.804 378 E CB 0.080 29.778 29.700 -0.003 0.000 0.740 378 E HN 0.563 nan 8.360 nan 0.000 0.454 379 S N 0.061 115.775 115.700 0.023 0.000 2.382 379 S HA -0.201 4.271 4.470 0.003 0.000 0.228 379 S C 2.175 176.855 174.600 0.133 0.000 1.027 379 S CA 1.544 59.775 58.200 0.051 0.000 0.991 379 S CB -0.461 62.742 63.200 0.005 0.000 0.823 379 S HN 0.338 nan 8.310 nan 0.000 0.469 380 S N 1.390 117.134 115.700 0.073 0.000 2.436 380 S HA 0.102 4.574 4.470 0.003 0.000 0.228 380 S C 1.855 176.492 174.600 0.062 0.000 1.014 380 S CA 0.356 58.593 58.200 0.063 0.000 0.950 380 S CB -0.550 62.664 63.200 0.023 0.000 0.784 380 S HN 0.394 nan 8.310 nan 0.000 0.504 381 I N 1.347 121.954 120.570 0.062 0.000 2.202 381 I HA -0.070 4.102 4.170 0.003 0.000 0.242 381 I C 2.368 178.527 176.117 0.070 0.000 1.091 381 I CA 1.359 62.691 61.300 0.055 0.000 1.368 381 I CB -1.673 36.358 38.000 0.053 0.000 1.058 381 I HN 0.447 nan 8.210 nan 0.000 0.410 382 Y N 2.294 122.585 120.300 -0.015 0.000 2.151 382 Y HA -0.274 4.278 4.550 0.003 0.000 0.284 382 Y C 2.549 178.440 175.900 -0.015 0.000 1.166 382 Y CA 2.218 60.303 58.100 -0.026 0.000 1.163 382 Y CB -0.318 38.121 38.460 -0.035 0.000 0.974 382 Y HN 0.098 nan 8.280 nan 0.000 0.511 383 A N 0.806 123.608 122.820 -0.031 0.000 1.898 383 A HA -0.138 4.184 4.320 0.003 0.000 0.216 383 A C 2.299 179.835 177.584 -0.080 0.000 1.181 383 A CA 1.545 53.517 52.037 -0.109 0.000 0.620 383 A CB -0.638 18.392 19.000 0.050 0.000 0.819 383 A HN 0.561 nan 8.150 nan 0.000 0.442 384 R N -0.508 119.992 120.500 0.001 0.000 2.083 384 R HA -0.192 4.150 4.340 0.003 0.000 0.237 384 R C 2.498 178.894 176.300 0.160 0.000 1.137 384 R CA 1.869 58.021 56.100 0.087 0.000 0.951 384 R CB -0.404 29.968 30.300 0.120 0.000 0.851 384 R HN 0.685 nan 8.270 nan 0.000 0.434 385 Q N -0.022 119.792 119.800 0.024 0.000 2.084 385 Q HA -0.158 4.183 4.340 0.003 0.000 0.202 385 Q C 2.223 178.244 176.000 0.035 0.000 0.978 385 Q CA 1.396 57.201 55.803 0.003 0.000 0.844 385 Q CB -0.096 28.545 28.738 -0.161 0.000 0.898 385 Q HN 0.320 nan 8.270 nan 0.000 0.426 386 R N 0.360 120.765 120.500 -0.158 0.000 2.081 386 R HA -0.119 4.223 4.340 0.003 0.000 0.235 386 R C 1.369 177.657 176.300 -0.020 0.000 1.131 386 R CA 1.338 57.345 56.100 -0.155 0.000 0.960 386 R CB 0.016 30.116 30.300 -0.332 0.000 0.856 386 R HN 0.245 nan 8.270 nan 0.000 0.436 387 D N -1.275 119.120 120.400 -0.008 0.000 2.348 387 D HA 0.057 4.699 4.640 0.003 0.000 0.211 387 D C 1.009 177.315 176.300 0.009 0.000 0.998 387 D CA 0.951 54.955 54.000 0.006 0.000 0.873 387 D CB 0.419 41.217 40.800 -0.004 0.000 0.925 387 D HN 0.415 nan 8.370 nan 0.000 0.524 388 G N 1.432 110.259 108.800 0.046 0.000 2.160 388 G HA2 -0.354 3.608 3.960 0.003 0.000 0.251 388 G HA3 -0.354 3.608 3.960 0.003 0.000 0.251 388 G C 0.440 175.163 174.900 -0.296 0.000 1.008 388 G CA -0.267 44.733 45.100 -0.166 0.000 0.724 388 G HN 0.306 nan 8.290 nan 0.000 0.514 389 R N 0.004 120.478 120.500 -0.042 0.000 4.138 389 R HA 0.471 4.813 4.340 0.003 0.000 0.206 389 R C -0.037 176.320 176.300 0.095 0.000 1.667 389 R CA 0.342 56.427 56.100 -0.025 0.000 1.481 389 R CB -0.570 29.741 30.300 0.019 0.000 1.388 389 R HN 0.577 nan 8.270 nan 0.000 0.776 390 F N -4.377 115.551 119.950 -0.038 0.000 2.654 390 F HA 0.569 5.099 4.527 0.004 0.000 0.308 390 F C 0.564 176.335 175.800 -0.049 0.000 1.108 390 F CA -1.295 56.682 58.000 -0.039 0.000 0.957 390 F CB 0.679 39.656 39.000 -0.039 0.000 1.309 390 F HN -0.025 nan 8.300 nan 0.000 0.446 391 G N 0.947 109.850 108.800 0.172 0.000 2.524 391 G HA2 0.340 4.302 3.960 0.003 0.000 0.210 391 G HA3 0.340 4.302 3.960 0.003 0.000 0.210 391 G C -0.091 174.924 174.900 0.192 0.000 1.187 391 G CA -0.023 45.123 45.100 0.076 0.000 0.825 391 G HN 0.492 nan 8.290 nan 0.000 0.558 392 M N 0.649 120.351 119.600 0.171 0.000 2.446 392 M HA 0.550 5.032 4.480 0.003 0.000 0.294 392 M C -1.296 174.972 176.300 -0.054 0.000 1.158 392 M CA -0.664 54.670 55.300 0.057 0.000 0.899 392 M CB 2.898 35.449 32.600 -0.081 0.000 1.687 392 M HN 0.247 nan 8.290 nan 0.000 0.455 393 I N -2.029 118.415 120.570 -0.210 0.000 2.828 393 I HA 0.643 4.815 4.170 0.003 0.000 0.302 393 I C -1.197 174.786 176.117 -0.223 0.000 1.101 393 I CA -0.916 60.226 61.300 -0.264 0.000 1.031 393 I CB 1.855 39.562 38.000 -0.489 0.000 1.231 393 I HN 0.460 nan 8.210 nan 0.000 0.427 394 F N 2.341 122.292 119.950 0.002 0.000 2.459 394 F HA 0.452 4.981 4.527 0.003 0.000 0.346 394 F C 0.357 176.229 175.800 0.119 0.000 1.128 394 F CA 0.799 58.822 58.000 0.038 0.000 1.268 394 F CB 0.453 39.465 39.000 0.020 0.000 1.161 394 F HN 0.580 nan 8.300 nan 0.000 0.583 395 H N 1.446 120.626 119.070 0.185 0.000 3.042 395 H HA 0.567 5.125 4.556 0.003 0.000 0.346 395 H C -1.296 174.085 175.328 0.089 0.000 1.294 395 H CA -1.266 54.858 56.048 0.128 0.000 1.141 395 H CB 1.524 31.360 29.762 0.124 0.000 1.872 395 H HN 0.630 nan 8.280 nan 0.000 0.541 396 R N 0.783 121.072 120.500 -0.351 0.000 2.774 396 R HA 0.579 4.921 4.340 0.003 0.000 0.272 396 R C -0.800 175.240 176.300 -0.433 0.000 1.000 396 R CA -0.612 55.324 56.100 -0.272 0.000 0.906 396 R CB 1.477 31.722 30.300 -0.093 0.000 1.227 396 R HN 0.691 nan 8.270 nan 0.000 0.468 397 T N -2.416 111.822 114.554 -0.525 0.000 2.793 397 T HA 0.270 4.622 4.350 0.003 0.000 0.299 397 T C 0.115 174.764 174.700 -0.086 0.000 1.038 397 T CA -0.484 61.121 62.100 -0.825 0.000 0.948 397 T CB 0.555 68.865 68.868 -0.931 0.000 1.231 397 T HN 0.700 nan 8.240 nan 0.000 0.538 398 W N 0.208 121.425 121.300 -0.139 0.000 2.998 398 W HA 0.514 5.176 4.660 0.003 0.000 0.336 398 W C 1.290 177.833 176.519 0.040 0.000 1.112 398 W CA -0.030 57.263 57.345 -0.086 0.000 1.682 398 W CB -1.294 28.072 29.460 -0.158 0.000 1.065 398 W HN 1.390 nan 8.180 nan 0.000 0.570 399 G N 1.213 110.172 108.800 0.265 0.000 2.782 399 G HA2 0.087 4.048 3.960 0.003 0.000 0.228 399 G HA3 0.087 4.048 3.960 0.003 0.000 0.228 399 G C -0.021 175.047 174.900 0.280 0.000 1.372 399 G CA -0.589 44.644 45.100 0.222 0.000 0.862 399 G HN 0.452 nan 8.290 nan 0.000 0.547 400 A N 0.509 123.435 122.820 0.176 0.000 2.407 400 A HA 0.697 5.019 4.320 0.003 0.000 0.248 400 A C -0.526 177.016 177.584 -0.070 0.000 1.082 400 A CA -0.131 51.952 52.037 0.077 0.000 0.785 400 A CB 0.626 19.717 19.000 0.153 0.000 1.020 400 A HN 0.756 nan 8.150 nan 0.000 0.489 401 P HA 0.099 nan 4.420 nan 0.000 0.261 401 P C 0.180 177.405 177.300 -0.124 0.000 1.352 401 P CA 0.475 63.285 63.100 -0.484 0.000 0.891 401 P CB -0.084 31.006 31.700 -1.016 0.000 1.383 402 Y N 0.110 120.463 120.300 0.089 0.000 2.293 402 Y HA -0.050 4.502 4.550 0.003 0.000 0.291 402 Y C 0.907 176.893 175.900 0.145 0.000 1.137 402 Y CA 0.707 58.932 58.100 0.208 0.000 1.202 402 Y CB -0.625 38.126 38.460 0.484 0.000 0.990 402 Y HN -0.050 nan 8.280 nan 0.000 0.537 403 D N 0.847 121.402 120.400 0.257 0.000 2.225 403 D HA 0.111 4.753 4.640 0.003 0.000 0.248 403 D C -1.575 174.639 176.300 -0.144 0.000 1.096 403 D CA -1.914 52.095 54.000 0.016 0.000 0.863 403 D CB 1.269 42.086 40.800 0.028 0.000 1.156 403 D HN 0.096 nan 8.370 nan 0.000 0.450 404 P HA -0.049 nan 4.420 nan 0.000 0.245 404 P C 1.183 178.518 177.300 0.058 0.000 1.199 404 P CA 0.519 63.297 63.100 -0.536 0.000 0.807 404 P CB 0.271 31.462 31.700 -0.849 0.000 1.002 405 H N 0.878 120.044 119.070 0.159 0.000 2.357 405 H HA 0.065 4.623 4.556 0.003 0.000 0.301 405 H C 1.540 177.054 175.328 0.310 0.000 1.082 405 H CA 1.703 57.934 56.048 0.305 0.000 1.342 405 H CB -0.757 29.159 29.762 0.257 0.000 1.389 405 H HN 0.010 nan 8.280 nan 0.000 0.511 406 A N 0.796 123.265 122.820 -0.584 0.000 1.930 406 A HA -0.031 4.291 4.320 0.003 0.000 0.215 406 A C 2.390 180.147 177.584 0.288 0.000 1.176 406 A CA 0.691 52.688 52.037 -0.067 0.000 0.632 406 A CB -1.153 18.011 19.000 0.274 0.000 0.819 406 A HN 0.424 nan 8.150 nan 0.000 0.445 407 F N 0.802 120.754 119.950 0.003 0.000 2.134 407 F HA -0.161 4.368 4.527 0.004 0.000 0.299 407 F C 1.960 177.699 175.800 -0.101 0.000 1.097 407 F CA 1.668 59.412 58.000 -0.427 0.000 1.264 407 F CB -0.081 38.707 39.000 -0.353 0.000 1.001 407 F HN 0.127 nan 8.300 nan 0.000 0.479 408 L N -1.031 120.330 121.223 0.229 0.000 2.017 408 L HA -0.237 4.105 4.340 0.003 0.000 0.208 408 L C 2.725 179.668 176.870 0.122 0.000 1.073 408 L CA 1.581 56.545 54.840 0.207 0.000 0.745 408 L CB -1.213 41.040 42.059 0.323 0.000 0.894 408 L HN 0.197 nan 8.230 nan 0.000 0.432 409 S N 0.125 115.921 115.700 0.160 0.000 2.374 409 S HA -0.221 4.251 4.470 0.003 0.000 0.227 409 S C 2.228 176.912 174.600 0.139 0.000 1.037 409 S CA 1.941 60.242 58.200 0.167 0.000 1.024 409 S CB -0.239 63.090 63.200 0.215 0.000 0.861 409 S HN 0.618 nan 8.310 nan 0.000 0.456 410 S N 0.777 116.569 115.700 0.154 0.000 2.447 410 S HA 0.010 4.482 4.470 0.003 0.000 0.233 410 S C 1.833 176.456 174.600 0.038 0.000 1.006 410 S CA 1.018 59.313 58.200 0.159 0.000 0.957 410 S CB -0.628 62.795 63.200 0.372 0.000 0.773 410 S HN 0.606 nan 8.310 nan 0.000 0.507 411 M N 0.873 120.471 119.600 -0.004 0.000 2.435 411 M HA -0.009 4.473 4.480 0.003 0.000 0.262 411 M C 2.177 178.606 176.300 0.215 0.000 1.065 411 M CA 1.180 56.521 55.300 0.069 0.000 1.076 411 M CB -0.347 32.290 32.600 0.061 0.000 1.403 411 M HN 0.337 nan 8.290 nan 0.000 0.454 412 R N -0.352 120.244 120.500 0.160 0.000 2.276 412 R HA 0.126 4.468 4.340 0.003 0.000 0.196 412 R C 0.186 176.514 176.300 0.048 0.000 0.961 412 R CA 0.112 56.332 56.100 0.200 0.000 1.024 412 R CB 0.033 30.399 30.300 0.110 0.000 0.940 412 R HN 0.137 nan 8.270 nan 0.000 0.480 413 V N 3.992 123.829 119.914 -0.128 0.000 2.427 413 V HA 0.145 4.267 4.120 0.003 0.000 0.268 413 V C -2.090 173.544 176.094 -0.765 0.000 1.046 413 V CA -1.983 60.063 62.300 -0.423 0.000 0.970 413 V CB 0.910 32.407 31.823 -0.542 0.000 1.001 413 V HN -0.044 nan 8.190 nan 0.000 0.476 414 P HA 0.138 nan 4.420 nan 0.000 0.269 414 P C 0.492 177.577 177.300 -0.359 0.000 1.215 414 P CA 0.288 62.592 63.100 -1.326 0.000 0.780 414 P CB 0.449 31.680 31.700 -0.782 0.000 0.898 415 S N -1.888 113.755 115.700 -0.096 0.000 3.586 415 S HA -0.178 4.294 4.470 0.003 0.000 0.309 415 S C 0.036 174.739 174.600 0.172 0.000 1.195 415 S CA 0.854 59.098 58.200 0.073 0.000 0.895 415 S CB -2.461 60.750 63.200 0.020 0.000 0.983 415 S HN 0.643 nan 8.310 nan 0.000 0.563 416 H N -0.911 118.160 119.070 0.001 0.000 2.679 416 H HA 0.785 5.343 4.556 0.003 0.000 0.367 416 H C 0.991 176.390 175.328 0.119 0.000 1.162 416 H CA -0.046 56.028 56.048 0.043 0.000 1.181 416 H CB 0.930 30.726 29.762 0.058 0.000 1.693 416 H HN 0.122 nan 8.280 nan 0.000 0.538 417 A N 1.212 124.115 122.820 0.139 0.000 1.883 417 A HA -0.186 4.136 4.320 0.003 0.000 0.217 417 A C 1.639 179.285 177.584 0.104 0.000 1.186 417 A CA 2.051 54.114 52.037 0.043 0.000 0.624 417 A CB -0.348 18.491 19.000 -0.268 0.000 0.822 417 A HN 0.814 nan 8.150 nan 0.000 0.444 418 D N -1.355 119.106 120.400 0.100 0.000 2.117 418 D HA -0.125 4.517 4.640 0.003 0.000 0.198 418 D C 1.713 178.113 176.300 0.166 0.000 0.982 418 D CA 1.351 55.436 54.000 0.141 0.000 0.828 418 D CB -0.325 40.533 40.800 0.097 0.000 0.967 418 D HN 0.501 nan 8.370 nan 0.000 0.464 419 F N 2.213 122.200 119.950 0.062 0.000 2.069 419 F HA -0.241 4.288 4.527 0.003 0.000 0.298 419 F C 2.478 178.299 175.800 0.036 0.000 1.113 419 F CA 1.455 59.482 58.000 0.044 0.000 1.214 419 F CB -0.023 39.005 39.000 0.047 0.000 0.978 419 F HN -0.199 nan 8.300 nan 0.000 0.474 420 Q N 0.605 120.556 119.800 0.252 0.000 2.050 420 Q HA -0.158 4.184 4.340 0.003 0.000 0.202 420 Q C 2.525 178.490 176.000 -0.059 0.000 0.980 420 Q CA 1.596 57.455 55.803 0.093 0.000 0.840 420 Q CB -1.242 27.616 28.738 0.199 0.000 0.898 420 Q HN 0.560 nan 8.270 nan 0.000 0.424 421 A N 0.863 123.734 122.820 0.085 0.000 2.019 421 A HA -0.195 4.127 4.320 0.003 0.000 0.219 421 A C 1.839 179.342 177.584 -0.133 0.000 1.164 421 A CA 1.382 53.430 52.037 0.018 0.000 0.644 421 A CB -0.315 18.748 19.000 0.106 0.000 0.805 421 A HN 0.409 nan 8.150 nan 0.000 0.449 422 Q N -1.052 118.653 119.800 -0.158 0.000 2.360 422 Q HA 0.040 4.382 4.340 0.003 0.000 0.202 422 Q C 1.463 177.318 176.000 -0.241 0.000 0.915 422 Q CA -0.038 55.651 55.803 -0.191 0.000 0.943 422 Q CB 0.209 28.856 28.738 -0.150 0.000 1.064 422 Q HN 0.532 nan 8.270 nan 0.000 0.511 423 Q N -0.367 119.259 119.800 -0.290 0.000 2.291 423 Q HA -0.054 4.288 4.340 0.003 0.000 0.205 423 Q C 1.808 177.690 176.000 -0.198 0.000 0.970 423 Q CA 1.243 56.860 55.803 -0.310 0.000 0.876 423 Q CB -0.101 28.453 28.738 -0.306 0.000 0.935 423 Q HN 0.460 nan 8.270 nan 0.000 0.455 424 G N -0.299 108.401 108.800 -0.166 0.000 2.920 424 G HA2 0.091 4.053 3.960 0.003 0.000 0.208 424 G HA3 0.091 4.053 3.960 0.003 0.000 0.208 424 G C 0.495 175.336 174.900 -0.099 0.000 1.159 424 G CA -0.223 44.805 45.100 -0.121 0.000 0.784 424 G HN 0.156 nan 8.290 nan 0.000 0.535 425 L N 1.071 122.228 121.223 -0.108 0.000 2.319 425 L HA 0.324 4.666 4.340 0.003 0.000 0.280 425 L C 1.874 178.706 176.870 -0.063 0.000 1.099 425 L CA -0.618 54.174 54.840 -0.080 0.000 0.828 425 L CB 1.480 43.492 42.059 -0.079 0.000 1.150 425 L HN 0.118 nan 8.230 nan 0.000 0.442 426 A N 2.592 125.386 122.820 -0.044 0.000 1.978 426 A HA -0.193 4.129 4.320 0.003 0.000 0.220 426 A C 1.457 179.025 177.584 -0.026 0.000 1.170 426 A CA 1.808 53.826 52.037 -0.032 0.000 0.636 426 A CB -0.393 18.595 19.000 -0.021 0.000 0.810 426 A HN 0.908 nan 8.150 nan 0.000 0.448 427 D N -1.281 119.106 120.400 -0.023 0.000 2.342 427 D HA 0.051 4.693 4.640 0.003 0.000 0.221 427 D C 1.202 177.492 176.300 -0.016 0.000 1.101 427 D CA 0.357 54.350 54.000 -0.012 0.000 0.837 427 D CB 0.043 40.844 40.800 0.002 0.000 0.938 427 D HN 0.231 nan 8.370 nan 0.000 0.508 428 K N 1.663 122.040 120.400 -0.039 0.000 2.044 428 K HA -0.098 4.224 4.320 0.003 0.000 0.210 428 K C -0.874 175.710 176.600 -0.026 0.000 1.049 428 K CA 1.432 57.686 56.287 -0.054 0.000 0.927 428 K CB -1.267 31.160 32.500 -0.121 0.000 0.713 428 K HN 0.143 nan 8.250 nan 0.000 0.443 429 P HA -0.142 nan 4.420 nan 0.000 0.215 429 P C 1.298 178.606 177.300 0.013 0.000 1.153 429 P CA 0.930 64.031 63.100 0.003 0.000 0.853 429 P CB -0.036 31.665 31.700 0.000 0.000 0.788 430 L N -0.746 120.482 121.223 0.009 0.000 2.046 430 L HA -0.118 4.224 4.340 0.003 0.000 0.208 430 L C 2.196 179.078 176.870 0.020 0.000 1.077 430 L CA 1.672 56.520 54.840 0.013 0.000 0.747 430 L CB -1.274 40.792 42.059 0.012 0.000 0.896 430 L HN -0.126 nan 8.230 nan 0.000 0.432 431 I N -0.354 120.231 120.570 0.024 0.000 2.163 431 I HA -0.309 3.863 4.170 0.003 0.000 0.243 431 I C 2.016 178.160 176.117 0.046 0.000 1.085 431 I CA 1.516 62.839 61.300 0.040 0.000 1.347 431 I CB -0.469 37.559 38.000 0.046 0.000 1.044 431 I HN 0.275 nan 8.210 nan 0.000 0.408 432 D N 0.575 121.003 120.400 0.047 0.000 2.144 432 D HA -0.197 4.445 4.640 0.003 0.000 0.200 432 D C 2.062 178.391 176.300 0.049 0.000 0.978 432 D CA 1.076 55.115 54.000 0.064 0.000 0.833 432 D CB -0.186 40.665 40.800 0.086 0.000 0.961 432 D HN 0.247 nan 8.370 nan 0.000 0.470 433 K N 0.889 121.310 120.400 0.035 0.000 2.032 433 K HA -0.158 4.164 4.320 0.003 0.000 0.209 433 K C 1.821 178.428 176.600 0.012 0.000 1.048 433 K CA 1.266 57.566 56.287 0.023 0.000 0.927 433 K CB 0.103 32.613 32.500 0.017 0.000 0.712 433 K HN 0.086 nan 8.250 nan 0.000 0.441 434 E N 0.307 120.511 120.200 0.007 0.000 2.106 434 E HA -0.159 4.193 4.350 0.003 0.000 0.192 434 E C 2.065 178.644 176.600 -0.035 0.000 0.984 434 E CA 1.190 57.580 56.400 -0.017 0.000 0.806 434 E CB -0.076 29.617 29.700 -0.011 0.000 0.750 434 E HN 0.377 nan 8.360 nan 0.000 0.458 435 I N 0.923 121.493 120.570 0.001 0.000 2.226 435 I HA -0.205 3.967 4.170 0.003 0.000 0.245 435 I C 2.574 178.705 176.117 0.023 0.000 1.100 435 I CA 1.221 62.527 61.300 0.011 0.000 1.374 435 I CB -0.556 37.486 38.000 0.069 0.000 1.057 435 I HN 0.158 nan 8.210 nan 0.000 0.413 436 G N 0.327 109.148 108.800 0.035 0.000 2.446 436 G HA2 -0.254 3.708 3.960 0.003 0.000 0.217 436 G HA3 -0.254 3.708 3.960 0.003 0.000 0.217 436 G C 1.531 176.447 174.900 0.028 0.000 1.168 436 G CA 0.777 45.905 45.100 0.046 0.000 0.771 436 G HN 0.421 nan 8.290 nan 0.000 0.551 437 E N -0.469 119.725 120.200 -0.010 0.000 2.106 437 E HA -0.052 4.300 4.350 0.003 0.000 0.192 437 E C 2.554 179.109 176.600 -0.074 0.000 0.984 437 E CA 0.713 57.089 56.400 -0.040 0.000 0.806 437 E CB -0.184 29.485 29.700 -0.051 0.000 0.750 437 E HN 0.248 nan 8.360 nan 0.000 0.458 438 V N 0.924 120.766 119.914 -0.120 0.000 2.515 438 V HA -0.187 3.935 4.120 0.003 0.000 0.250 438 V C 1.819 177.888 176.094 -0.042 0.000 1.058 438 V CA 1.145 63.307 62.300 -0.230 0.000 1.064 438 V CB -0.065 31.428 31.823 -0.550 0.000 0.675 438 V HN 0.206 nan 8.190 nan 0.000 0.461 439 L N -0.075 121.189 121.223 0.068 0.000 2.156 439 L HA 0.133 4.475 4.340 0.003 0.000 0.208 439 L C 2.409 179.405 176.870 0.210 0.000 1.095 439 L CA 2.127 57.080 54.840 0.188 0.000 0.770 439 L CB -1.226 41.002 42.059 0.281 0.000 0.914 439 L HN 0.379 nan 8.230 nan 0.000 0.439 440 A N -2.351 120.543 122.820 0.124 0.000 2.063 440 A HA 0.050 4.372 4.320 0.003 0.000 0.211 440 A C 1.407 178.914 177.584 -0.128 0.000 1.177 440 A CA 0.401 52.488 52.037 0.083 0.000 0.759 440 A CB -0.365 18.664 19.000 0.049 0.000 0.857 440 A HN 0.282 nan 8.150 nan 0.000 0.468 441 T N 0.328 114.782 114.554 -0.167 0.000 2.930 441 T HA 0.156 4.508 4.350 0.003 0.000 0.306 441 T C 0.713 175.233 174.700 -0.300 0.000 1.045 441 T CA -0.075 61.833 62.100 -0.319 0.000 1.134 441 T CB 0.059 68.813 68.868 -0.189 0.000 0.961 441 T HN 0.460 nan 8.240 nan 0.000 0.545 442 H N 2.224 121.303 119.070 0.015 0.000 2.551 442 H HA 0.198 4.756 4.556 0.003 0.000 0.271 442 H C 0.179 175.502 175.328 -0.008 0.000 0.984 442 H CA -0.348 55.709 56.048 0.014 0.000 1.164 442 H CB 0.278 30.064 29.762 0.039 0.000 1.437 442 H HN 0.492 nan 8.280 nan 0.000 0.550 443 D N 2.179 122.585 120.400 0.010 0.000 2.380 443 D HA 0.015 4.657 4.640 0.003 0.000 0.230 443 D C 0.989 177.272 176.300 -0.029 0.000 1.154 443 D CA -0.150 53.853 54.000 0.005 0.000 0.859 443 D CB 1.055 41.850 40.800 -0.008 0.000 1.045 443 D HN 0.011 nan 8.370 nan 0.000 0.495 444 E N 1.989 122.184 120.200 -0.009 0.000 2.153 444 E HA -0.113 4.239 4.350 0.003 0.000 0.194 444 E C 1.502 178.109 176.600 0.011 0.000 0.988 444 E CA 1.005 57.399 56.400 -0.011 0.000 0.811 444 E CB -0.039 29.674 29.700 0.022 0.000 0.746 444 E HN 0.527 nan 8.360 nan 0.000 0.466 445 T N 1.244 115.808 114.554 0.015 0.000 2.708 445 T HA -0.191 4.161 4.350 0.003 0.000 0.266 445 T C 1.934 176.639 174.700 0.009 0.000 1.037 445 T CA 1.645 63.758 62.100 0.023 0.000 1.146 445 T CB -0.152 68.729 68.868 0.021 0.000 0.865 445 T HN 0.073 nan 8.240 nan 0.000 0.435 446 Q N 1.229 121.020 119.800 -0.016 0.000 2.124 446 Q HA -0.005 4.337 4.340 0.003 0.000 0.202 446 Q C 2.264 178.221 176.000 -0.072 0.000 0.977 446 Q CA 1.467 57.248 55.803 -0.037 0.000 0.850 446 Q CB -0.240 28.469 28.738 -0.048 0.000 0.901 446 Q HN 0.409 nan 8.270 nan 0.000 0.429 447 R N -0.451 119.988 120.500 -0.101 0.000 2.083 447 R HA -0.182 4.160 4.340 0.003 0.000 0.237 447 R C 2.229 178.458 176.300 -0.118 0.000 1.137 447 R CA 1.979 57.961 56.100 -0.196 0.000 0.951 447 R CB -0.089 30.048 30.300 -0.271 0.000 0.851 447 R HN 0.438 nan 8.270 nan 0.000 0.434 448 Q N -0.617 119.198 119.800 0.024 0.000 2.119 448 Q HA -0.097 4.245 4.340 0.003 0.000 0.201 448 Q C 2.119 178.192 176.000 0.122 0.000 0.972 448 Q CA 1.453 57.354 55.803 0.163 0.000 0.847 448 Q CB -0.056 28.799 28.738 0.195 0.000 0.903 448 Q HN 0.425 nan 8.270 nan 0.000 0.433 449 A N 0.857 123.709 122.820 0.054 0.000 1.902 449 A HA -0.158 4.163 4.320 0.003 0.000 0.217 449 A C 2.057 179.657 177.584 0.027 0.000 1.181 449 A CA 1.065 53.127 52.037 0.042 0.000 0.623 449 A CB -0.629 18.383 19.000 0.020 0.000 0.818 449 A HN 0.273 nan 8.150 nan 0.000 0.443 450 L N -2.268 118.935 121.223 -0.033 0.000 2.017 450 L HA -0.205 4.137 4.340 0.003 0.000 0.208 450 L C 2.594 179.428 176.870 -0.060 0.000 1.073 450 L CA 1.580 56.368 54.840 -0.086 0.000 0.745 450 L CB -0.674 41.271 42.059 -0.190 0.000 0.894 450 L HN 0.494 nan 8.230 nan 0.000 0.432 451 Y N -0.271 120.015 120.300 -0.024 0.000 2.128 451 Y HA -0.318 4.234 4.550 0.004 0.000 0.284 451 Y C 2.940 178.880 175.900 0.067 0.000 1.154 451 Y CA 1.448 59.556 58.100 0.014 0.000 1.149 451 Y CB -0.199 38.244 38.460 -0.028 0.000 0.976 451 Y HN 0.091 nan 8.280 nan 0.000 0.505 452 R N 0.555 121.188 120.500 0.221 0.000 2.083 452 R HA -0.239 4.102 4.340 0.003 0.000 0.237 452 R C 1.799 178.177 176.300 0.131 0.000 1.137 452 R CA 2.322 58.516 56.100 0.157 0.000 0.951 452 R CB -0.497 29.872 30.300 0.115 0.000 0.851 452 R HN 0.324 nan 8.270 nan 0.000 0.434 453 D N -0.239 120.221 120.400 0.101 0.000 2.117 453 D HA -0.121 4.521 4.640 0.003 0.000 0.197 453 D C 1.915 178.277 176.300 0.103 0.000 0.987 453 D CA 1.491 55.541 54.000 0.083 0.000 0.829 453 D CB 0.034 40.865 40.800 0.050 0.000 0.961 453 D HN 0.322 nan 8.370 nan 0.000 0.460 454 I N -0.024 120.616 120.570 0.116 0.000 2.142 454 I HA -0.228 3.944 4.170 0.003 0.000 0.240 454 I C 2.314 178.549 176.117 0.197 0.000 1.078 454 I CA 0.762 62.148 61.300 0.143 0.000 1.343 454 I CB -0.197 37.893 38.000 0.150 0.000 1.046 454 I HN 0.105 nan 8.210 nan 0.000 0.405 455 L N -0.207 121.158 121.223 0.236 0.000 2.141 455 L HA -0.152 4.190 4.340 0.003 0.000 0.209 455 L C 2.556 179.556 176.870 0.217 0.000 1.094 455 L CA 1.262 56.259 54.840 0.261 0.000 0.763 455 L CB -0.795 41.433 42.059 0.283 0.000 0.908 455 L HN 0.272 nan 8.230 nan 0.000 0.437 456 T N -0.767 113.890 114.554 0.172 0.000 2.777 456 T HA -0.128 4.224 4.350 0.003 0.000 0.266 456 T C 2.037 176.838 174.700 0.167 0.000 1.040 456 T CA 1.001 63.197 62.100 0.159 0.000 1.141 456 T CB -0.077 68.860 68.868 0.115 0.000 0.868 456 T HN 0.262 nan 8.240 nan 0.000 0.444 457 R N 0.621 121.203 120.500 0.137 0.000 2.083 457 R HA 0.012 4.354 4.340 0.003 0.000 0.237 457 R C 2.451 178.822 176.300 0.117 0.000 1.137 457 R CA 1.222 57.386 56.100 0.108 0.000 0.951 457 R CB -0.626 29.724 30.300 0.084 0.000 0.851 457 R HN 0.342 nan 8.270 nan 0.000 0.434 458 L N -0.886 120.434 121.223 0.162 0.000 2.083 458 L HA -0.216 4.126 4.340 0.003 0.000 0.209 458 L C 2.485 179.464 176.870 0.181 0.000 1.083 458 L CA 1.444 56.392 54.840 0.180 0.000 0.752 458 L CB -0.524 41.710 42.059 0.291 0.000 0.899 458 L HN 0.287 nan 8.230 nan 0.000 0.433 459 H N 0.172 119.311 119.070 0.114 0.000 2.307 459 H HA -0.150 4.408 4.556 0.003 0.000 0.303 459 H C 1.886 177.241 175.328 0.045 0.000 1.073 459 H CA 1.821 57.920 56.048 0.084 0.000 1.338 459 H CB 0.110 29.922 29.762 0.084 0.000 1.389 459 H HN 0.179 nan 8.280 nan 0.000 0.503 460 D N 0.319 120.774 120.400 0.092 0.000 2.178 460 D HA -0.110 4.532 4.640 0.003 0.000 0.202 460 D C 1.435 177.717 176.300 -0.030 0.000 0.974 460 D CA 1.056 55.069 54.000 0.022 0.000 0.841 460 D CB -0.124 40.718 40.800 0.071 0.000 0.953 460 D HN 0.621 nan 8.370 nan 0.000 0.478 461 E N -0.010 120.178 120.200 -0.020 0.000 2.502 461 E HA 0.233 4.585 4.350 0.003 0.000 0.194 461 E C 0.552 177.100 176.600 -0.087 0.000 1.062 461 E CA 0.283 56.657 56.400 -0.043 0.000 0.867 461 E CB 0.249 29.930 29.700 -0.031 0.000 0.888 461 E HN 0.121 nan 8.360 nan 0.000 0.510 462 A N 0.632 123.380 122.820 -0.119 0.000 2.687 462 A HA -0.213 4.109 4.320 0.003 0.000 0.299 462 A C 1.408 178.895 177.584 -0.162 0.000 1.497 462 A CA 0.565 52.510 52.037 -0.153 0.000 0.751 462 A CB -2.359 16.550 19.000 -0.152 0.000 1.048 462 A HN 0.204 nan 8.150 nan 0.000 0.464 463 V N -1.884 117.907 119.914 -0.206 0.000 2.427 463 V HA -0.108 4.014 4.120 0.003 0.000 0.248 463 V C 1.263 177.010 176.094 -0.578 0.000 1.051 463 V CA 2.075 64.118 62.300 -0.427 0.000 1.048 463 V CB -0.583 30.883 31.823 -0.595 0.000 0.666 463 V HN 0.668 nan 8.190 nan 0.000 0.456 464 Y N -1.523 118.758 120.300 -0.032 0.000 2.528 464 Y HA 0.633 5.185 4.550 0.003 0.000 0.335 464 Y C -0.124 175.731 175.900 -0.075 0.000 1.093 464 Y CA -1.071 57.008 58.100 -0.034 0.000 1.134 464 Y CB 1.515 39.966 38.460 -0.016 0.000 1.253 464 Y HN -0.126 nan 8.280 nan 0.000 0.478 465 L N 4.761 126.041 121.223 0.094 0.000 2.387 465 L HA 0.497 4.839 4.340 0.003 0.000 0.259 465 L C -2.767 174.102 176.870 -0.001 0.000 1.050 465 L CA -2.035 52.805 54.840 -0.001 0.000 0.922 465 L CB 1.001 43.032 42.059 -0.047 0.000 1.280 465 L HN 0.371 nan 8.230 nan 0.000 0.449 466 P HA 0.173 nan 4.420 nan 0.000 0.271 466 P C 0.232 177.460 177.300 -0.120 0.000 1.216 466 P CA 0.205 63.257 63.100 -0.080 0.000 0.771 466 P CB 1.324 32.973 31.700 -0.084 0.000 0.864 467 I N -0.029 120.453 120.570 -0.147 0.000 3.345 467 I HA 0.114 4.285 4.170 0.003 0.000 0.258 467 I C 0.796 176.780 176.117 -0.223 0.000 1.134 467 I CA 0.601 61.820 61.300 -0.135 0.000 1.457 467 I CB 0.246 38.215 38.000 -0.051 0.000 1.425 467 I HN 0.294 nan 8.210 nan 0.000 0.461 468 S N -0.864 114.677 115.700 -0.264 0.000 2.541 468 S HA 0.515 4.987 4.470 0.003 0.000 0.271 468 S C -1.693 172.698 174.600 -0.349 0.000 1.133 468 S CA -0.439 57.579 58.200 -0.303 0.000 0.876 468 S CB 0.950 64.055 63.200 -0.159 0.000 1.105 468 S HN 0.076 nan 8.310 nan 0.000 0.470 469 Y N 3.718 123.982 120.300 -0.061 0.000 2.367 469 Y HA 0.467 5.019 4.550 0.003 0.000 0.342 469 Y C 0.558 176.413 175.900 -0.075 0.000 0.979 469 Y CA -1.193 56.867 58.100 -0.068 0.000 1.161 469 Y CB 0.133 38.561 38.460 -0.053 0.000 1.155 469 Y HN 0.630 nan 8.280 nan 0.000 0.503 470 I N -0.654 119.946 120.570 0.050 0.000 2.664 470 I HA 0.777 4.949 4.170 0.003 0.000 0.308 470 I C 0.015 176.100 176.117 -0.052 0.000 0.984 470 I CA -0.443 60.838 61.300 -0.031 0.000 1.213 470 I CB 1.608 39.566 38.000 -0.069 0.000 1.379 470 I HN 0.296 nan 8.210 nan 0.000 0.501 471 S N 3.525 119.162 115.700 -0.105 0.000 2.664 471 S HA 0.643 5.115 4.470 0.003 0.000 0.304 471 S C -0.350 174.125 174.600 -0.209 0.000 1.099 471 S CA -0.666 57.441 58.200 -0.155 0.000 1.003 471 S CB 1.401 64.506 63.200 -0.157 0.000 1.092 471 S HN 0.733 nan 8.310 nan 0.000 0.525 472 M N 2.179 121.613 119.600 -0.277 0.000 2.242 472 M HA 0.428 4.910 4.480 0.003 0.000 0.344 472 M C -0.983 175.119 176.300 -0.329 0.000 1.140 472 M CA 0.646 55.750 55.300 -0.326 0.000 1.160 472 M CB 0.002 32.346 32.600 -0.427 0.000 1.491 472 M HN 0.590 nan 8.290 nan 0.000 0.459 473 M N 3.605 122.999 119.600 -0.342 0.000 2.530 473 M HA 0.713 5.195 4.480 0.003 0.000 0.307 473 M C -1.373 174.786 176.300 -0.235 0.000 1.161 473 M CA -1.041 54.059 55.300 -0.333 0.000 0.903 473 M CB 2.096 34.323 32.600 -0.620 0.000 1.711 473 M HN 0.337 nan 8.290 nan 0.000 0.451 474 V N 2.017 121.898 119.914 -0.055 0.000 2.789 474 V HA 0.700 4.822 4.120 0.003 0.000 0.311 474 V C -0.928 175.199 176.094 0.055 0.000 1.073 474 V CA -0.756 61.535 62.300 -0.015 0.000 0.921 474 V CB 2.536 34.366 31.823 0.012 0.000 1.009 474 V HN 0.696 nan 8.190 nan 0.000 0.426 475 V N 3.269 123.143 119.914 -0.066 0.000 2.638 475 V HA 0.858 4.980 4.120 0.003 0.000 0.306 475 V C -0.302 175.570 176.094 -0.369 0.000 1.052 475 V CA -0.307 61.807 62.300 -0.310 0.000 0.885 475 V CB 2.084 33.565 31.823 -0.570 0.000 0.999 475 V HN 1.074 nan 8.190 nan 0.000 0.424 476 S N 3.142 118.733 115.700 -0.182 0.000 2.570 476 S HA 0.625 5.097 4.470 0.003 0.000 0.270 476 S C -1.086 173.765 174.600 0.418 0.000 1.149 476 S CA -1.218 57.082 58.200 0.167 0.000 0.837 476 S CB 1.769 65.087 63.200 0.196 0.000 1.124 476 S HN 0.544 nan 8.310 nan 0.000 0.465 477 K N 1.525 122.178 120.400 0.421 0.000 2.412 477 K HA 0.193 4.515 4.320 0.003 0.000 0.281 477 K C -1.841 174.858 176.600 0.164 0.000 1.027 477 K CA -1.689 54.756 56.287 0.263 0.000 0.989 477 K CB 0.235 32.806 32.500 0.118 0.000 0.935 477 K HN 0.351 nan 8.250 nan 0.000 0.475 478 P HA -0.211 nan 4.420 nan 0.000 0.217 478 P C 0.179 177.466 177.300 -0.021 0.000 1.148 478 P CA 1.346 64.469 63.100 0.039 0.000 0.834 478 P CB 0.246 31.968 31.700 0.037 0.000 0.783 479 E N -0.758 119.444 120.200 0.003 0.000 2.265 479 E HA -0.121 4.231 4.350 0.003 0.000 0.196 479 E C 1.748 178.340 176.600 -0.013 0.000 0.996 479 E CA 0.744 57.138 56.400 -0.010 0.000 0.832 479 E CB -0.891 28.808 29.700 -0.003 0.000 0.756 479 E HN 0.291 nan 8.360 nan 0.000 0.491 480 L N -0.207 121.015 121.223 -0.000 0.000 2.376 480 L HA 0.057 4.399 4.340 0.003 0.000 0.219 480 L C 1.309 178.154 176.870 -0.042 0.000 1.133 480 L CA 0.345 55.186 54.840 0.001 0.000 0.816 480 L CB -1.017 41.066 42.059 0.040 0.000 0.933 480 L HN 0.311 nan 8.230 nan 0.000 0.449 481 G N 0.687 109.421 108.800 -0.110 0.000 2.645 481 G HA2 -0.356 3.606 3.960 0.003 0.000 0.239 481 G HA3 -0.356 3.606 3.960 0.003 0.000 0.239 481 G C -0.228 174.527 174.900 -0.241 0.000 1.331 481 G CA -0.047 44.947 45.100 -0.177 0.000 0.890 481 G HN 0.401 nan 8.290 nan 0.000 0.572 482 N N 0.193 118.792 118.700 -0.169 0.000 2.497 482 N HA 0.379 5.121 4.740 0.003 0.000 0.268 482 N C 0.319 175.805 175.510 -0.040 0.000 1.171 482 N CA -0.305 52.700 53.050 -0.074 0.000 0.948 482 N CB 0.193 38.662 38.487 -0.031 0.000 1.069 482 N HN 0.541 nan 8.380 nan 0.000 0.460 483 I N 5.288 125.849 120.570 -0.015 0.000 2.321 483 I HA 0.342 4.514 4.170 0.003 0.000 0.291 483 I C -1.949 174.026 176.117 -0.237 0.000 0.998 483 I CA -2.301 58.962 61.300 -0.062 0.000 1.227 483 I CB 0.802 38.818 38.000 0.025 0.000 1.368 483 I HN 0.514 nan 8.210 nan 0.000 0.466 484 P HA 0.244 nan 4.420 nan 0.000 0.276 484 P C -1.364 175.785 177.300 -0.253 0.000 1.252 484 P CA -0.199 62.761 63.100 -0.233 0.000 0.802 484 P CB 0.639 32.297 31.700 -0.070 0.000 1.035 485 Y N -0.515 119.869 120.300 0.140 0.000 2.342 485 Y HA 0.491 5.042 4.550 0.002 0.000 0.334 485 Y C 1.017 176.998 175.900 0.134 0.000 1.067 485 Y CA -1.179 57.037 58.100 0.193 0.000 1.128 485 Y CB 1.263 39.793 38.460 0.117 0.000 1.200 485 Y HN 0.373 nan 8.280 nan 0.000 0.464 486 A N 4.857 127.856 122.820 0.298 0.000 2.440 486 A HA 0.243 4.565 4.320 0.003 0.000 0.251 486 A C -1.545 176.164 177.584 0.209 0.000 1.089 486 A CA -1.234 50.907 52.037 0.175 0.000 0.779 486 A CB 0.070 19.131 19.000 0.102 0.000 1.022 486 A HN 0.642 nan 8.150 nan 0.000 0.492 487 P HA -0.117 nan 4.420 nan 0.000 0.216 487 P C 0.212 177.699 177.300 0.311 0.000 1.153 487 P CA 1.144 64.381 63.100 0.229 0.000 0.858 487 P CB -0.126 31.683 31.700 0.181 0.000 0.789 488 I N -0.311 120.417 120.570 0.263 0.000 2.396 488 I HA 0.105 4.277 4.170 0.003 0.000 0.289 488 I C 1.664 177.898 176.117 0.195 0.000 1.056 488 I CA -0.467 60.946 61.300 0.188 0.000 1.365 488 I CB 1.210 39.283 38.000 0.122 0.000 1.407 488 I HN -0.102 nan 8.210 nan 0.000 0.509 489 A N 4.539 127.481 122.820 0.203 0.000 1.986 489 A HA -0.189 4.133 4.320 0.003 0.000 0.220 489 A C 2.082 179.790 177.584 0.207 0.000 1.171 489 A CA 2.334 54.486 52.037 0.192 0.000 0.640 489 A CB -0.821 18.280 19.000 0.168 0.000 0.811 489 A HN 0.830 nan 8.150 nan 0.000 0.451 490 T N -2.243 112.437 114.554 0.210 0.000 3.129 490 T HA 0.196 4.548 4.350 0.003 0.000 0.251 490 T C 0.424 175.234 174.700 0.183 0.000 1.117 490 T CA 0.130 62.349 62.100 0.199 0.000 1.034 490 T CB -0.069 68.901 68.868 0.170 0.000 0.968 490 T HN 0.561 nan 8.240 nan 0.000 0.526 491 E N 0.772 121.064 120.200 0.153 0.000 2.248 491 E HA 0.614 4.966 4.350 0.003 0.000 0.272 491 E C -0.769 175.809 176.600 -0.037 0.000 1.008 491 E CA -0.764 55.685 56.400 0.083 0.000 0.856 491 E CB 1.662 31.405 29.700 0.072 0.000 1.120 491 E HN 0.362 nan 8.360 nan 0.000 0.397 492 I N 2.744 123.176 120.570 -0.229 0.000 2.447 492 I HA 0.218 4.390 4.170 0.003 0.000 0.287 492 I C -2.145 173.574 176.117 -0.662 0.000 1.023 492 I CA -2.166 58.663 61.300 -0.785 0.000 1.083 492 I CB 2.114 39.413 38.000 -1.168 0.000 1.245 492 I HN 0.261 nan 8.210 nan 0.000 0.434 493 P HA 0.173 nan 4.420 nan 0.000 0.218 493 P C 0.664 177.855 177.300 -0.182 0.000 1.793 493 P CA -0.142 62.811 63.100 -0.244 0.000 0.941 493 P CB -0.304 31.322 31.700 -0.124 0.000 1.919 494 F N 1.873 121.785 119.950 -0.064 0.000 2.154 494 F HA -0.207 4.322 4.527 0.003 0.000 0.301 494 F C 2.339 178.280 175.800 0.234 0.000 1.087 494 F CA 1.218 59.197 58.000 -0.035 0.000 1.274 494 F CB -0.492 38.319 39.000 -0.315 0.000 1.009 494 F HN 0.162 nan 8.300 nan 0.000 0.485 495 E N 0.718 121.244 120.200 0.543 0.000 2.516 495 E HA -0.175 4.177 4.350 0.003 0.000 0.199 495 E C 1.088 177.794 176.600 0.176 0.000 1.069 495 E CA 0.806 57.433 56.400 0.378 0.000 0.876 495 E CB -0.665 29.118 29.700 0.140 0.000 0.843 495 E HN 0.562 nan 8.360 nan 0.000 0.530 496 Q N 0.271 120.154 119.800 0.138 0.000 2.247 496 Q HA 0.324 4.666 4.340 0.003 0.000 0.211 496 Q C 0.274 176.310 176.000 0.059 0.000 0.861 496 Q CA -0.197 55.650 55.803 0.074 0.000 0.949 496 Q CB 0.829 29.592 28.738 0.042 0.000 1.115 496 Q HN 0.277 nan 8.270 nan 0.000 0.507 497 I N 2.088 122.710 120.570 0.087 0.000 2.396 497 I HA 0.076 4.248 4.170 0.003 0.000 0.289 497 I C 0.078 176.238 176.117 0.072 0.000 1.056 497 I CA 0.262 61.602 61.300 0.068 0.000 1.365 497 I CB 0.535 38.585 38.000 0.083 0.000 1.407 497 I HN -0.204 nan 8.210 nan 0.000 0.509 498 K N 8.164 128.589 120.400 0.042 0.000 2.478 498 K HA 0.378 4.700 4.320 0.003 0.000 0.236 498 K C -2.171 174.442 176.600 0.022 0.000 1.021 498 K CA -1.513 54.795 56.287 0.035 0.000 1.010 498 K CB 1.079 33.593 32.500 0.024 0.000 1.331 498 K HN 0.395 nan 8.250 nan 0.000 0.470 499 P HA 0.000 nan 4.420 nan 0.000 0.216 499 P CA 0.000 63.110 63.100 0.016 0.000 0.800 499 P CB 0.000 31.713 31.700 0.022 0.000 0.726