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 2wtu_1_B DATA FIRST_RESID 36 DATA SEQUENCE FYELFYDDAK RASQLLDISX XXXXXXXXXX XPMAGIPYHA VENYLAKLVN DATA SEQUENCE QGESVAICEX XXXXXXXXXX XXXXVVRIVT PGTISDEALL QERQDNLLAA DATA SEQUENCE IWQDSKGFGY ATLDISSGRF RLSEPADRET MAAELQRTNP AELLYAEDFA DATA SEQUENCE EMSLIEGRRG LRRRPLWEFE IDTARQQLNL QFGTRDLVGF GVENAPRGLC DATA SEQUENCE AAGCLLQYAK DTQRTTLPHI RSITMEREQD SIIMDAATRR NLEITQNLAG DATA SEQUENCE GAENTLASVL DCTVTPMGSR MLKRWLHMPV RDTRVLLERQ QTIGALQDFT DATA SEQUENCE AGLQPVLRQV GDLERILARL ALRTARPRDL ARMRHAFQQL PELRAQLETV DATA SEQUENCE DSAPVQALRE KMGEFAELRD LLERAIIDTP PVLVRDGGVI ASGYNEELDE DATA SEQUENCE WRALADGATD YLERLEVRER ERTGLDTLKV GFNAVHGYYI QISRGQSHLA DATA SEQUENCE PINYMRRQTL KNAERYIIPE LKEYEDKVLT SKGKALALEK QLYEELFDLL DATA SEQUENCE LPHLEALQQS ASALAELDVL VNLAERAYTL NYTCPTFIDK PGIRITEGRH DATA SEQUENCE PVVEQVLNEP FIANPLNLSP QRRMLIITGP NMGGKSTYMR QTALIALMAY DATA SEQUENCE IGSYVPAQKV EIGPIDRIFT RVGAADDLAS GRSTFMVEMT ETANILHNAT DATA SEQUENCE EYSLVLMDEI GRGTSTYDGL SLAWACAENL ANKIKALTLF ATHYFELTQL DATA SEQUENCE PEKMEGVANV HLDALEHGDT IAFMHSVQDG AASKSYGLAV AALAGVPKEV DATA SEQUENCE IKRARQKLRE LESIS 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 36 F HA 0.000 nan 4.527 nan 0.000 0.279 36 F C 0.000 175.756 175.800 -0.074 0.000 0.967 36 F CA 0.000 57.974 58.000 -0.044 0.000 1.383 36 F CB 0.000 38.981 39.000 -0.032 0.000 1.145 37 Y N 1.700 121.920 120.300 -0.133 0.000 2.277 37 Y HA 0.188 4.737 4.550 -0.001 0.000 0.258 37 Y C 1.759 177.470 175.900 -0.316 0.000 1.056 37 Y CA 2.485 60.471 58.100 -0.190 0.000 1.057 37 Y CB -0.187 38.246 38.460 -0.045 0.000 1.018 37 Y HN 0.134 nan 8.280 nan 0.000 0.471 38 E N -1.683 118.499 120.200 -0.030 0.000 3.530 38 E HA 0.539 4.888 4.350 -0.001 0.000 0.175 38 E C -1.688 174.710 176.600 -0.336 0.000 0.861 38 E CA -0.484 55.833 56.400 -0.139 0.000 1.136 38 E CB 1.474 31.179 29.700 0.009 0.000 1.859 38 E HN 0.066 nan 8.360 nan 0.000 0.369 39 L N -1.221 119.812 121.223 -0.317 0.000 3.769 39 L HA -0.145 4.194 4.340 -0.001 0.000 0.269 39 L C -0.037 176.710 176.870 -0.206 0.000 1.047 39 L CA -0.183 54.367 54.840 -0.482 0.000 1.031 39 L CB -0.611 41.036 42.059 -0.687 0.000 1.048 39 L HN 0.540 nan 8.230 nan 0.000 0.247 40 F N -0.233 119.770 119.950 0.088 0.000 2.664 40 F HA -0.073 4.454 4.527 -0.001 0.000 0.297 40 F C 1.825 177.752 175.800 0.211 0.000 1.164 40 F CA 0.454 58.532 58.000 0.130 0.000 1.472 40 F CB -0.944 38.122 39.000 0.111 0.000 1.108 40 F HN 0.410 nan 8.300 nan 0.000 0.596 41 Y N 0.838 121.183 120.300 0.074 0.000 2.114 41 Y HA -0.244 4.305 4.550 -0.001 0.000 0.282 41 Y C 2.170 178.090 175.900 0.032 0.000 1.165 41 Y CA 1.195 59.316 58.100 0.034 0.000 1.148 41 Y CB -1.121 37.328 38.460 -0.020 0.000 0.972 41 Y HN 0.070 nan 8.280 nan 0.000 0.504 42 D N -0.527 119.993 120.400 0.200 0.000 2.103 42 D HA -0.125 4.514 4.640 -0.001 0.000 0.199 42 D C 1.578 177.939 176.300 0.101 0.000 0.978 42 D CA 1.577 55.644 54.000 0.112 0.000 0.829 42 D CB -0.416 40.429 40.800 0.074 0.000 0.981 42 D HN 0.466 nan 8.370 nan 0.000 0.464 43 D N -0.072 120.407 120.400 0.131 0.000 2.363 43 D HA 0.033 4.673 4.640 -0.001 0.000 0.220 43 D C 1.382 177.741 176.300 0.099 0.000 0.994 43 D CA 0.456 54.523 54.000 0.112 0.000 0.890 43 D CB -0.200 40.675 40.800 0.125 0.000 0.906 43 D HN 0.199 nan 8.370 nan 0.000 0.530 44 A N 0.048 122.939 122.820 0.118 0.000 2.140 44 A HA 0.117 4.436 4.320 -0.001 0.000 0.209 44 A C 2.014 179.609 177.584 0.018 0.000 1.181 44 A CA 0.269 52.347 52.037 0.069 0.000 0.824 44 A CB -0.054 19.003 19.000 0.095 0.000 0.879 44 A HN 0.035 nan 8.150 nan 0.000 0.480 45 K N 1.152 121.565 120.400 0.022 0.000 2.147 45 K HA -0.117 4.202 4.320 -0.001 0.000 0.205 45 K C 2.010 178.615 176.600 0.009 0.000 1.049 45 K CA 1.611 57.897 56.287 -0.001 0.000 0.936 45 K CB -0.378 32.126 32.500 0.008 0.000 0.722 45 K HN 0.506 nan 8.250 nan 0.000 0.446 46 R N -0.254 120.261 120.500 0.024 0.000 2.097 46 R HA -0.131 4.209 4.340 -0.001 0.000 0.236 46 R C 1.817 178.127 176.300 0.016 0.000 1.135 46 R CA 2.009 58.123 56.100 0.023 0.000 0.934 46 R CB -0.591 29.729 30.300 0.033 0.000 0.846 46 R HN 0.166 nan 8.270 nan 0.000 0.431 47 A N 0.017 122.846 122.820 0.016 0.000 2.169 47 A HA 0.004 4.324 4.320 -0.001 0.000 0.212 47 A C 2.037 179.624 177.584 0.005 0.000 1.153 47 A CA 0.907 52.951 52.037 0.011 0.000 0.756 47 A CB -0.245 18.762 19.000 0.010 0.000 0.813 47 A HN 0.645 nan 8.150 nan 0.000 0.471 48 S N -1.193 114.502 115.700 -0.009 0.000 2.388 48 S HA -0.145 4.325 4.470 -0.001 0.000 0.223 48 S C 1.909 176.504 174.600 -0.008 0.000 1.034 48 S CA 0.896 59.082 58.200 -0.023 0.000 0.963 48 S CB -0.406 62.761 63.200 -0.055 0.000 0.827 48 S HN 0.390 nan 8.310 nan 0.000 0.481 49 Q N 0.752 120.549 119.800 -0.004 0.000 2.217 49 Q HA -0.001 4.338 4.340 -0.001 0.000 0.209 49 Q C 0.614 176.620 176.000 0.009 0.000 0.988 49 Q CA 1.172 56.977 55.803 0.003 0.000 0.878 49 Q CB -0.362 28.379 28.738 0.006 0.000 0.909 49 Q HN 0.601 nan 8.270 nan 0.000 0.424 50 L N -0.287 120.943 121.223 0.012 0.000 3.154 50 L HA 0.231 4.571 4.340 -0.001 0.000 0.266 50 L C 0.939 177.824 176.870 0.025 0.000 1.300 50 L CA 0.146 54.997 54.840 0.017 0.000 1.028 50 L CB 0.775 42.844 42.059 0.016 0.000 1.412 50 L HN 0.020 nan 8.230 nan 0.000 0.564 51 L N -1.151 120.091 121.223 0.031 0.000 3.617 51 L HA 0.238 4.578 4.340 -0.001 0.000 0.336 51 L C -0.668 176.243 176.870 0.067 0.000 1.141 51 L CA 0.112 54.986 54.840 0.056 0.000 1.225 51 L CB 0.930 43.042 42.059 0.088 0.000 1.725 51 L HN 0.242 nan 8.230 nan 0.000 0.621 52 D N 1.078 121.502 120.400 0.039 0.000 3.118 52 D HA -0.072 4.568 4.640 -0.001 0.000 0.249 52 D C -0.902 175.415 176.300 0.028 0.000 1.031 52 D CA 0.548 54.566 54.000 0.031 0.000 0.905 52 D CB -0.989 39.833 40.800 0.037 0.000 1.006 52 D HN 0.211 nan 8.370 nan 0.000 0.425 53 I N -0.020 120.539 120.570 -0.018 0.000 2.588 53 I HA 0.450 4.620 4.170 -0.001 0.000 0.278 53 I C -0.050 176.014 176.117 -0.088 0.000 1.144 53 I CA -0.503 60.755 61.300 -0.070 0.000 1.074 53 I CB 1.449 39.336 38.000 -0.187 0.000 1.235 53 I HN 0.171 nan 8.210 nan 0.000 0.472 68 M N 1.506 121.086 119.600 -0.033 0.000 2.952 68 M HA 0.646 5.125 4.480 -0.001 0.000 0.259 68 M C -0.777 175.416 176.300 -0.178 0.000 1.306 68 M CA -0.004 55.230 55.300 -0.110 0.000 0.626 68 M CB 0.932 33.511 32.600 -0.035 0.000 1.423 68 M HN 0.215 nan 8.290 nan 0.000 0.459 69 A N 0.061 122.745 122.820 -0.227 0.000 2.294 69 A HA 1.033 5.353 4.320 -0.001 0.000 0.330 69 A C 0.151 177.563 177.584 -0.287 0.000 1.133 69 A CA -0.105 51.809 52.037 -0.203 0.000 0.836 69 A CB 0.963 19.881 19.000 -0.137 0.000 1.190 69 A HN 0.718 nan 8.150 nan 0.000 0.492 70 G N -0.969 107.691 108.800 -0.234 0.000 2.559 70 G HA2 0.603 4.563 3.960 -0.001 0.000 0.291 70 G HA3 0.603 4.563 3.960 -0.001 0.000 0.291 70 G C -1.380 173.356 174.900 -0.273 0.000 1.424 70 G CA -0.044 44.910 45.100 -0.244 0.000 0.786 70 G HN 1.559 nan 8.290 nan 0.000 0.485 71 I N -0.958 119.444 120.570 -0.280 0.000 2.530 71 I HA 0.765 4.935 4.170 -0.001 0.000 0.297 71 I C -2.051 173.943 176.117 -0.205 0.000 1.011 71 I CA -2.418 58.644 61.300 -0.397 0.000 1.107 71 I CB 1.412 39.093 38.000 -0.533 0.000 1.285 71 I HN 0.369 nan 8.210 nan 0.000 0.436 72 P HA 0.078 nan 4.420 nan 0.000 0.272 72 P C 0.035 177.314 177.300 -0.034 0.000 1.240 72 P CA -0.061 62.998 63.100 -0.068 0.000 0.791 72 P CB 0.646 32.293 31.700 -0.089 0.000 0.978 73 Y N 0.968 121.247 120.300 -0.035 0.000 2.200 73 Y HA -0.249 4.300 4.550 -0.001 0.000 0.290 73 Y C 2.767 178.677 175.900 0.018 0.000 1.137 73 Y CA 2.132 60.236 58.100 0.006 0.000 1.163 73 Y CB -0.536 37.951 38.460 0.045 0.000 0.988 73 Y HN 0.536 nan 8.280 nan 0.000 0.518 74 H N -1.540 117.628 119.070 0.163 0.000 2.491 74 H HA 0.088 4.644 4.556 -0.001 0.000 0.290 74 H C 1.215 176.553 175.328 0.017 0.000 1.050 74 H CA 1.150 57.255 56.048 0.094 0.000 1.309 74 H CB -0.144 29.693 29.762 0.126 0.000 1.392 74 H HN 0.368 nan 8.280 nan 0.000 0.554 75 A N 1.387 124.015 122.820 -0.320 0.000 2.564 75 A HA 0.333 4.653 4.320 -0.001 0.000 0.279 75 A C 2.047 179.632 177.584 0.003 0.000 1.232 75 A CA 0.111 52.071 52.037 -0.129 0.000 0.950 75 A CB -0.078 18.843 19.000 -0.131 0.000 1.138 75 A HN 0.242 nan 8.150 nan 0.000 0.526 76 V N -0.075 119.786 119.914 -0.088 0.000 2.332 76 V HA -0.231 3.889 4.120 -0.001 0.000 0.248 76 V C 2.320 178.400 176.094 -0.024 0.000 1.055 76 V CA 2.908 65.174 62.300 -0.056 0.000 1.038 76 V CB -0.050 31.663 31.823 -0.183 0.000 0.651 76 V HN 0.717 nan 8.190 nan 0.000 0.450 77 E N 0.184 120.343 120.200 -0.068 0.000 2.150 77 E HA -0.213 4.137 4.350 -0.001 0.000 0.193 77 E C 1.938 178.509 176.600 -0.047 0.000 0.985 77 E CA 1.814 58.182 56.400 -0.054 0.000 0.814 77 E CB -0.358 29.307 29.700 -0.059 0.000 0.752 77 E HN 0.779 nan 8.360 nan 0.000 0.466 78 N N -1.878 116.781 118.700 -0.068 0.000 2.354 78 N HA -0.085 4.654 4.740 -0.001 0.000 0.179 78 N C 1.039 176.440 175.510 -0.182 0.000 1.021 78 N CA 0.533 53.500 53.050 -0.137 0.000 0.887 78 N CB 0.040 38.408 38.487 -0.198 0.000 0.974 78 N HN 0.133 nan 8.380 nan 0.000 0.437 79 Y N 0.350 120.609 120.300 -0.068 0.000 2.314 79 Y HA 0.120 4.669 4.550 -0.001 0.000 0.294 79 Y C 1.772 177.641 175.900 -0.052 0.000 1.119 79 Y CA 0.575 58.638 58.100 -0.060 0.000 1.179 79 Y CB -0.107 38.309 38.460 -0.073 0.000 1.025 79 Y HN 0.040 nan 8.280 nan 0.000 0.541 80 L N -0.825 120.453 121.223 0.091 0.000 2.083 80 L HA -0.247 4.093 4.340 -0.001 0.000 0.209 80 L C 2.532 179.406 176.870 0.005 0.000 1.083 80 L CA 1.118 55.975 54.840 0.028 0.000 0.752 80 L CB -0.696 41.362 42.059 -0.001 0.000 0.899 80 L HN 0.206 nan 8.230 nan 0.000 0.433 81 A N -0.435 122.377 122.820 -0.014 0.000 2.131 81 A HA -0.207 4.112 4.320 -0.001 0.000 0.220 81 A C 2.154 179.723 177.584 -0.025 0.000 1.158 81 A CA 1.627 53.647 52.037 -0.030 0.000 0.665 81 A CB -0.245 18.723 19.000 -0.052 0.000 0.795 81 A HN 0.410 nan 8.150 nan 0.000 0.460 82 K N -1.408 118.983 120.400 -0.014 0.000 2.373 82 K HA 0.354 4.673 4.320 -0.001 0.000 0.200 82 K C 1.177 177.785 176.600 0.014 0.000 1.054 82 K CA -0.028 56.255 56.287 -0.006 0.000 1.065 82 K CB 0.277 32.767 32.500 -0.016 0.000 0.886 82 K HN 0.418 nan 8.250 nan 0.000 0.546 83 L N -0.065 121.170 121.223 0.020 0.000 2.145 83 L HA -0.016 4.323 4.340 -0.001 0.000 0.201 83 L C 2.094 178.966 176.870 0.003 0.000 1.075 83 L CA 0.431 55.279 54.840 0.014 0.000 0.773 83 L CB -0.429 41.637 42.059 0.012 0.000 0.936 83 L HN -0.146 nan 8.230 nan 0.000 0.451 84 V N 0.666 120.579 119.914 -0.002 0.000 2.392 84 V HA -0.332 3.787 4.120 -0.001 0.000 0.249 84 V C 2.352 178.446 176.094 -0.000 0.000 1.059 84 V CA 2.077 64.375 62.300 -0.004 0.000 1.051 84 V CB -0.820 30.997 31.823 -0.010 0.000 0.658 84 V HN 0.549 nan 8.190 nan 0.000 0.455 85 N N 0.158 118.857 118.700 -0.002 0.000 2.036 85 N HA -0.247 4.492 4.740 -0.001 0.000 0.195 85 N C 1.687 177.199 175.510 0.004 0.000 1.037 85 N CA 1.857 54.906 53.050 -0.001 0.000 0.855 85 N CB -0.027 38.456 38.487 -0.005 0.000 1.033 85 N HN 0.583 nan 8.380 nan 0.000 0.423 86 Q N -0.661 119.142 119.800 0.006 0.000 2.280 86 Q HA 0.225 4.565 4.340 -0.001 0.000 0.202 86 Q C -0.163 175.842 176.000 0.009 0.000 0.903 86 Q CA 0.077 55.885 55.803 0.008 0.000 0.948 86 Q CB 0.834 29.578 28.738 0.009 0.000 1.058 86 Q HN 0.510 nan 8.270 nan 0.000 0.493 87 G N 1.573 110.378 108.800 0.009 0.000 2.871 87 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.262 87 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.262 87 G C -0.926 173.980 174.900 0.010 0.000 1.126 87 G CA -0.643 44.465 45.100 0.012 0.000 1.130 87 G HN 0.098 nan 8.290 nan 0.000 0.549 88 E N 0.492 120.693 120.200 0.002 0.000 2.244 88 E HA 0.374 4.723 4.350 -0.001 0.000 0.260 88 E C -0.195 176.391 176.600 -0.024 0.000 0.884 88 E CA -0.682 55.711 56.400 -0.012 0.000 0.777 88 E CB 1.641 31.329 29.700 -0.021 0.000 1.197 88 E HN 0.170 nan 8.360 nan 0.000 0.416 89 S N 2.064 117.752 115.700 -0.019 0.000 3.455 89 S HA 0.130 4.599 4.470 -0.001 0.000 0.288 89 S C 0.511 175.056 174.600 -0.092 0.000 1.231 89 S CA -0.229 57.956 58.200 -0.024 0.000 1.031 89 S CB -0.373 62.840 63.200 0.021 0.000 1.570 89 S HN 0.197 nan 8.310 nan 0.000 0.519 90 V N 2.039 121.891 119.914 -0.103 0.000 2.904 90 V HA 0.871 4.991 4.120 -0.001 0.000 0.305 90 V C 0.322 176.331 176.094 -0.141 0.000 1.067 90 V CA -0.620 61.581 62.300 -0.165 0.000 1.044 90 V CB 1.417 33.169 31.823 -0.119 0.000 1.050 90 V HN 0.748 nan 8.190 nan 0.000 0.475 91 A N 3.783 126.496 122.820 -0.178 0.000 2.562 91 A HA 0.740 5.059 4.320 -0.001 0.000 0.305 91 A C -1.337 176.243 177.584 -0.005 0.000 1.059 91 A CA -0.222 51.772 52.037 -0.070 0.000 0.835 91 A CB 0.745 19.719 19.000 -0.043 0.000 1.299 91 A HN 0.703 nan 8.150 nan 0.000 0.392 92 I N 0.425 121.045 120.570 0.084 0.000 3.174 92 I HA 0.829 4.998 4.170 -0.001 0.000 0.313 92 I C -1.161 175.069 176.117 0.188 0.000 1.155 92 I CA -0.575 60.846 61.300 0.202 0.000 0.977 92 I CB 2.386 40.465 38.000 0.131 0.000 1.248 92 I HN 0.895 nan 8.210 nan 0.000 0.453 93 C N 3.790 123.221 119.300 0.217 0.000 3.146 93 C HA 0.259 4.718 4.460 -0.001 0.000 0.405 93 C C -0.259 174.816 174.990 0.141 0.000 1.012 93 C CA -0.655 58.450 59.018 0.144 0.000 1.217 93 C CB 1.228 29.029 27.740 0.101 0.000 1.599 93 C HN 0.833 nan 8.230 nan 0.000 0.567 111 V N 2.394 122.331 119.914 0.038 0.000 2.239 111 V HA 0.178 4.298 4.120 -0.001 0.000 0.242 111 V C 0.994 177.096 176.094 0.013 0.000 1.038 111 V CA 2.155 64.471 62.300 0.026 0.000 1.002 111 V CB 0.061 31.905 31.823 0.035 0.000 0.641 111 V HN 0.860 nan 8.190 nan 0.000 0.449 112 R N -0.633 119.875 120.500 0.013 0.000 2.803 112 R HA 0.640 4.980 4.340 -0.001 0.000 0.276 112 R C -1.513 174.780 176.300 -0.012 0.000 0.978 112 R CA -0.766 55.331 56.100 -0.004 0.000 0.939 112 R CB 1.704 32.000 30.300 -0.006 0.000 1.179 112 R HN 0.448 nan 8.270 nan 0.000 0.472 113 I N 4.430 124.982 120.570 -0.030 0.000 2.478 113 I HA 0.331 4.501 4.170 -0.001 0.000 0.287 113 I C -0.755 175.328 176.117 -0.058 0.000 1.042 113 I CA -1.053 60.220 61.300 -0.044 0.000 1.067 113 I CB 1.983 39.952 38.000 -0.052 0.000 1.233 113 I HN 0.348 nan 8.210 nan 0.000 0.431 114 V N 1.982 121.862 119.914 -0.057 0.000 2.709 114 V HA 0.865 4.984 4.120 -0.001 0.000 0.308 114 V C -0.162 175.903 176.094 -0.049 0.000 1.062 114 V CA -0.313 61.953 62.300 -0.055 0.000 0.901 114 V CB 1.596 33.393 31.823 -0.044 0.000 1.003 114 V HN 0.802 nan 8.190 nan 0.000 0.425 115 T N 1.156 115.683 114.554 -0.045 0.000 2.930 115 T HA 0.695 5.044 4.350 -0.001 0.000 0.290 115 T C -2.347 172.356 174.700 0.005 0.000 1.052 115 T CA -2.057 60.039 62.100 -0.007 0.000 1.017 115 T CB 2.031 70.909 68.868 0.016 0.000 1.137 115 T HN 0.440 nan 8.240 nan 0.000 0.511 116 P HA 0.149 nan 4.420 nan 0.000 0.229 116 P C 1.409 178.725 177.300 0.028 0.000 1.160 116 P CA 0.566 63.679 63.100 0.022 0.000 0.777 116 P CB -0.144 31.572 31.700 0.027 0.000 0.814 117 G N -1.153 107.677 108.800 0.050 0.000 2.796 117 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.210 117 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.210 117 G C 0.404 175.314 174.900 0.016 0.000 1.146 117 G CA 0.448 45.576 45.100 0.047 0.000 0.779 117 G HN 0.365 nan 8.290 nan 0.000 0.535 118 T N -0.115 114.435 114.554 -0.006 0.000 3.390 118 T HA 0.636 4.986 4.350 -0.001 0.000 0.351 118 T C -0.255 174.420 174.700 -0.042 0.000 1.759 118 T CA -0.804 61.270 62.100 -0.042 0.000 1.561 118 T CB -0.381 68.426 68.868 -0.101 0.000 1.011 118 T HN 0.315 nan 8.240 nan 0.000 0.689 119 I N -0.651 119.903 120.570 -0.026 0.000 2.608 119 I HA 0.741 4.911 4.170 -0.001 0.000 0.295 119 I C 0.515 176.618 176.117 -0.024 0.000 1.049 119 I CA -1.217 60.066 61.300 -0.028 0.000 1.063 119 I CB 2.493 40.479 38.000 -0.023 0.000 1.248 119 I HN 0.244 nan 8.210 nan 0.000 0.424 120 S N 0.608 116.290 115.700 -0.029 0.000 2.687 120 S HA 0.213 4.683 4.470 -0.001 0.000 0.247 120 S C 0.016 174.600 174.600 -0.025 0.000 1.050 120 S CA -0.396 57.786 58.200 -0.031 0.000 1.063 120 S CB -0.155 63.016 63.200 -0.048 0.000 1.039 120 S HN 0.679 nan 8.310 nan 0.000 0.580 121 D N 3.504 123.890 120.400 -0.023 0.000 2.401 121 D HA 0.072 4.712 4.640 -0.001 0.000 0.254 121 D C 1.107 177.396 176.300 -0.017 0.000 1.192 121 D CA 0.179 54.169 54.000 -0.018 0.000 0.885 121 D CB 1.108 41.897 40.800 -0.020 0.000 1.147 121 D HN 0.715 nan 8.370 nan 0.000 0.478 122 E N 1.679 121.870 120.200 -0.014 0.000 2.516 122 E HA -0.076 4.274 4.350 -0.001 0.000 0.199 122 E C 1.247 177.837 176.600 -0.017 0.000 1.069 122 E CA 0.396 56.787 56.400 -0.015 0.000 0.876 122 E CB 0.171 29.863 29.700 -0.014 0.000 0.843 122 E HN 0.392 nan 8.360 nan 0.000 0.530 123 A N 1.506 124.314 122.820 -0.019 0.000 1.874 123 A HA 0.014 4.333 4.320 -0.001 0.000 0.214 123 A C 2.101 179.669 177.584 -0.027 0.000 1.189 123 A CA 0.773 52.795 52.037 -0.024 0.000 0.615 123 A CB -0.374 18.611 19.000 -0.025 0.000 0.830 123 A HN 0.309 nan 8.150 nan 0.000 0.443 124 L N -0.508 120.701 121.223 -0.025 0.000 2.591 124 L HA 0.249 4.588 4.340 -0.001 0.000 0.228 124 L C -0.021 176.838 176.870 -0.020 0.000 1.133 124 L CA -0.101 54.725 54.840 -0.024 0.000 0.880 124 L CB -0.233 41.812 42.059 -0.024 0.000 1.033 124 L HN 0.206 nan 8.230 nan 0.000 0.450 125 L N -0.231 120.981 121.223 -0.018 0.000 2.334 125 L HA 0.346 4.685 4.340 -0.001 0.000 0.273 125 L C -0.007 176.855 176.870 -0.014 0.000 1.013 125 L CA -0.517 54.315 54.840 -0.014 0.000 0.816 125 L CB 1.803 43.854 42.059 -0.012 0.000 1.278 125 L HN 0.026 nan 8.230 nan 0.000 0.431 126 Q N 1.624 121.418 119.800 -0.010 0.000 2.293 126 Q HA 0.003 4.342 4.340 -0.001 0.000 0.263 126 Q C 0.740 176.735 176.000 -0.009 0.000 1.002 126 Q CA 0.079 55.876 55.803 -0.010 0.000 0.910 126 Q CB 1.429 30.164 28.738 -0.006 0.000 1.185 126 Q HN 0.530 nan 8.270 nan 0.000 0.401 127 E N 3.012 123.205 120.200 -0.012 0.000 2.086 127 E HA -0.296 4.053 4.350 -0.001 0.000 0.205 127 E C 1.031 177.624 176.600 -0.011 0.000 1.027 127 E CA 1.541 57.934 56.400 -0.013 0.000 0.830 127 E CB 0.255 29.946 29.700 -0.014 0.000 0.751 127 E HN 0.412 nan 8.360 nan 0.000 0.456 128 R N -0.602 119.893 120.500 -0.009 0.000 2.393 128 R HA 0.165 4.504 4.340 -0.001 0.000 0.244 128 R C -0.092 176.207 176.300 -0.002 0.000 0.920 128 R CA -0.005 56.090 56.100 -0.009 0.000 1.076 128 R CB 0.547 30.842 30.300 -0.009 0.000 1.119 128 R HN 0.141 nan 8.270 nan 0.000 0.524 129 Q N -0.190 119.612 119.800 0.002 0.000 2.372 129 Q HA 0.196 4.536 4.340 -0.001 0.000 0.273 129 Q C -1.296 174.711 176.000 0.012 0.000 1.078 129 Q CA -0.923 54.887 55.803 0.011 0.000 0.806 129 Q CB 2.340 31.087 28.738 0.015 0.000 1.332 129 Q HN 0.036 nan 8.270 nan 0.000 0.435 130 D N 1.272 121.684 120.400 0.019 0.000 2.390 130 D HA -0.010 4.630 4.640 -0.001 0.000 0.236 130 D C -0.357 175.953 176.300 0.015 0.000 1.189 130 D CA 0.803 54.815 54.000 0.020 0.000 0.887 130 D CB 0.579 41.397 40.800 0.030 0.000 1.198 130 D HN 0.403 nan 8.370 nan 0.000 0.444 131 N N 1.222 119.930 118.700 0.013 0.000 2.653 131 N HA 0.228 4.968 4.740 -0.001 0.000 0.261 131 N C -1.553 173.962 175.510 0.008 0.000 1.216 131 N CA -0.312 52.744 53.050 0.010 0.000 0.784 131 N CB 0.250 38.740 38.487 0.006 0.000 1.327 131 N HN 0.197 nan 8.380 nan 0.000 0.539 132 L N 1.568 122.799 121.223 0.012 0.000 2.343 132 L HA 0.584 4.923 4.340 -0.001 0.000 0.275 132 L C -0.343 176.532 176.870 0.009 0.000 1.056 132 L CA -1.247 53.596 54.840 0.004 0.000 0.804 132 L CB 1.267 43.333 42.059 0.011 0.000 1.203 132 L HN 0.396 nan 8.230 nan 0.000 0.440 133 L N 2.649 123.867 121.223 -0.008 0.000 2.307 133 L HA 0.865 5.204 4.340 -0.001 0.000 0.284 133 L C -0.437 176.420 176.870 -0.020 0.000 1.023 133 L CA 0.053 54.901 54.840 0.012 0.000 0.810 133 L CB 1.307 43.385 42.059 0.032 0.000 1.231 133 L HN 0.689 nan 8.230 nan 0.000 0.423 134 A N 3.916 126.736 122.820 0.000 0.000 2.515 134 A HA 1.001 5.321 4.320 -0.001 0.000 0.296 134 A C -1.389 176.209 177.584 0.024 0.000 1.094 134 A CA -0.181 51.829 52.037 -0.045 0.000 0.718 134 A CB 1.661 20.650 19.000 -0.018 0.000 1.307 134 A HN 1.312 nan 8.150 nan 0.000 0.408 135 A N 0.747 123.588 122.820 0.035 0.000 2.398 135 A HA 0.755 5.075 4.320 -0.001 0.000 0.301 135 A C -1.015 176.831 177.584 0.437 0.000 1.041 135 A CA -0.278 51.870 52.037 0.185 0.000 0.711 135 A CB 0.842 19.885 19.000 0.072 0.000 1.240 135 A HN 1.394 nan 8.150 nan 0.000 0.420 136 I N 2.949 123.844 120.570 0.542 0.000 2.785 136 I HA 0.858 5.028 4.170 -0.001 0.000 0.302 136 I C -1.686 174.800 176.117 0.615 0.000 1.069 136 I CA -0.701 60.951 61.300 0.587 0.000 1.045 136 I CB 1.750 39.936 38.000 0.311 0.000 1.236 136 I HN 0.893 nan 8.210 nan 0.000 0.429 137 W N 6.259 127.743 121.300 0.306 0.000 3.363 137 W HA 0.352 5.011 4.660 -0.001 0.000 0.306 137 W C -2.359 174.345 176.519 0.308 0.000 1.253 137 W CA -0.943 56.514 57.345 0.187 0.000 1.195 137 W CB 1.024 30.212 29.460 -0.452 0.000 1.366 137 W HN 0.629 nan 8.180 nan 0.000 0.551 138 Q N 3.337 123.235 119.800 0.162 0.000 2.509 138 Q HA 0.174 4.514 4.340 -0.001 0.000 0.236 138 Q C -0.344 175.321 176.000 -0.558 0.000 1.073 138 Q CA -0.335 55.204 55.803 -0.441 0.000 0.867 138 Q CB 0.645 28.982 28.738 -0.668 0.000 1.181 138 Q HN 0.396 nan 8.270 nan 0.000 0.526 139 D N 0.947 120.762 120.400 -0.975 0.000 2.378 139 D HA -0.082 4.558 4.640 -0.001 0.000 0.238 139 D C 1.149 177.181 176.300 -0.446 0.000 1.180 139 D CA 0.830 54.367 54.000 -0.771 0.000 0.895 139 D CB 1.124 41.333 40.800 -0.985 0.000 1.192 139 D HN 0.588 nan 8.370 nan 0.000 0.438 140 S N 2.380 117.932 115.700 -0.247 0.000 2.399 140 S HA -0.309 4.161 4.470 -0.001 0.000 0.235 140 S C 1.484 175.944 174.600 -0.232 0.000 1.063 140 S CA 1.263 59.349 58.200 -0.190 0.000 1.070 140 S CB -0.376 62.763 63.200 -0.102 0.000 0.904 140 S HN 0.567 nan 8.310 nan 0.000 0.456 141 K N 1.360 121.612 120.400 -0.246 0.000 2.054 141 K HA 0.336 4.656 4.320 -0.001 0.000 0.207 141 K C 1.320 177.730 176.600 -0.317 0.000 1.031 141 K CA 0.976 57.128 56.287 -0.225 0.000 0.952 141 K CB -0.470 31.939 32.500 -0.153 0.000 0.775 141 K HN 0.489 nan 8.250 nan 0.000 0.447 142 G N 0.071 108.637 108.800 -0.389 0.000 2.949 142 G HA2 0.544 4.504 3.960 -0.001 0.000 0.285 142 G HA3 0.544 4.504 3.960 -0.001 0.000 0.285 142 G C -1.358 173.192 174.900 -0.585 0.000 1.395 142 G CA -0.812 44.032 45.100 -0.427 0.000 0.901 142 G HN 0.007 nan 8.290 nan 0.000 0.519 143 F N 0.250 120.060 119.950 -0.232 0.000 2.404 143 F HA 0.569 5.095 4.527 -0.001 0.000 0.345 143 F C 1.006 176.703 175.800 -0.172 0.000 1.110 143 F CA -0.207 57.663 58.000 -0.217 0.000 1.130 143 F CB 1.930 40.886 39.000 -0.072 0.000 1.129 143 F HN 0.506 nan 8.300 nan 0.000 0.500 144 G N 2.229 110.990 108.800 -0.065 0.000 2.461 144 G HA2 0.519 4.479 3.960 -0.001 0.000 0.323 144 G HA3 0.519 4.479 3.960 -0.001 0.000 0.323 144 G C -2.428 172.778 174.900 0.511 0.000 1.229 144 G CA -0.525 44.703 45.100 0.215 0.000 0.941 144 G HN 0.533 nan 8.290 nan 0.000 0.477 145 Y N 0.967 121.436 120.300 0.281 0.000 2.482 145 Y HA 0.667 5.217 4.550 -0.001 0.000 0.334 145 Y C -0.743 175.284 175.900 0.212 0.000 1.091 145 Y CA -1.000 57.249 58.100 0.249 0.000 1.027 145 Y CB 2.125 40.688 38.460 0.170 0.000 1.306 145 Y HN 0.941 nan 8.280 nan 0.000 0.446 146 A N 2.777 125.391 122.820 -0.344 0.000 2.486 146 A HA 0.775 5.095 4.320 -0.001 0.000 0.300 146 A C -1.157 176.213 177.584 -0.356 0.000 1.048 146 A CA -0.256 51.655 52.037 -0.210 0.000 0.696 146 A CB 1.368 20.430 19.000 0.103 0.000 1.278 146 A HN 1.027 nan 8.150 nan 0.000 0.405 147 T N 0.021 114.488 114.554 -0.146 0.000 2.949 147 T HA 0.575 4.925 4.350 -0.001 0.000 0.300 147 T C -1.032 173.650 174.700 -0.031 0.000 0.988 147 T CA -0.407 61.614 62.100 -0.131 0.000 0.993 147 T CB 0.690 69.478 68.868 -0.133 0.000 0.984 147 T HN 1.184 nan 8.240 nan 0.000 0.442 148 L N 2.631 123.765 121.223 -0.149 0.000 2.317 148 L HA 0.737 5.076 4.340 -0.001 0.000 0.281 148 L C -0.813 175.969 176.870 -0.147 0.000 1.024 148 L CA -0.239 54.425 54.840 -0.293 0.000 0.810 148 L CB 1.700 43.424 42.059 -0.559 0.000 1.240 148 L HN 0.753 nan 8.230 nan 0.000 0.427 149 D N 4.150 124.488 120.400 -0.103 0.000 2.467 149 D HA 0.106 4.745 4.640 -0.001 0.000 0.220 149 D C 0.998 177.287 176.300 -0.019 0.000 1.103 149 D CA -0.176 53.803 54.000 -0.035 0.000 0.886 149 D CB 0.701 41.506 40.800 0.008 0.000 1.025 149 D HN 0.572 nan 8.370 nan 0.000 0.514 150 I N 2.337 122.897 120.570 -0.016 0.000 2.800 150 I HA -0.178 3.992 4.170 -0.001 0.000 0.266 150 I C 1.588 177.785 176.117 0.133 0.000 1.249 150 I CA 1.214 62.544 61.300 0.050 0.000 1.458 150 I CB 0.134 38.139 38.000 0.008 0.000 1.093 150 I HN 0.230 nan 8.210 nan 0.000 0.466 151 S N -1.427 114.316 115.700 0.071 0.000 2.517 151 S HA 0.073 4.542 4.470 -0.001 0.000 0.214 151 S C 1.690 176.339 174.600 0.082 0.000 0.991 151 S CA 0.709 58.936 58.200 0.046 0.000 0.906 151 S CB 0.077 63.285 63.200 0.014 0.000 0.789 151 S HN 0.678 nan 8.310 nan 0.000 0.513 152 S N -0.737 115.040 115.700 0.128 0.000 2.628 152 S HA 0.433 4.903 4.470 -0.001 0.000 0.246 152 S C 1.281 175.988 174.600 0.178 0.000 1.062 152 S CA 0.515 58.797 58.200 0.137 0.000 1.028 152 S CB 0.347 63.595 63.200 0.081 0.000 0.985 152 S HN 0.636 nan 8.310 nan 0.000 0.551 153 G N 2.177 111.049 108.800 0.121 0.000 2.147 153 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.244 153 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.244 153 G C -0.068 174.838 174.900 0.010 0.000 1.005 153 G CA 0.156 45.212 45.100 -0.074 0.000 0.713 153 G HN 0.722 nan 8.290 nan 0.000 0.515 154 R N -0.225 120.296 120.500 0.034 0.000 2.210 154 R HA 0.544 4.883 4.340 -0.001 0.000 0.338 154 R C -1.058 175.301 176.300 0.098 0.000 1.062 154 R CA -0.654 55.492 56.100 0.077 0.000 0.902 154 R CB 0.005 30.349 30.300 0.074 0.000 1.050 154 R HN 0.031 nan 8.270 nan 0.000 0.461 155 F N 4.069 124.009 119.950 -0.016 0.000 2.467 155 F HA 0.462 4.989 4.527 -0.001 0.000 0.336 155 F C -0.463 175.312 175.800 -0.042 0.000 1.123 155 F CA -1.309 56.673 58.000 -0.030 0.000 0.964 155 F CB 1.276 40.264 39.000 -0.021 0.000 1.136 155 F HN 0.469 nan 8.300 nan 0.000 0.447 156 R N 4.176 124.896 120.500 0.367 0.000 2.803 156 R HA 0.819 5.158 4.340 -0.001 0.000 0.276 156 R C -2.077 174.263 176.300 0.067 0.000 0.978 156 R CA -0.810 55.368 56.100 0.129 0.000 0.939 156 R CB 1.860 32.214 30.300 0.091 0.000 1.179 156 R HN 0.779 nan 8.270 nan 0.000 0.472 157 L N 1.545 122.769 121.223 0.001 0.000 2.445 157 L HA 0.784 5.124 4.340 -0.001 0.000 0.262 157 L C -1.534 175.371 176.870 0.059 0.000 0.974 157 L CA -0.072 54.767 54.840 -0.002 0.000 0.822 157 L CB 2.123 44.127 42.059 -0.091 0.000 1.339 157 L HN 0.918 nan 8.230 nan 0.000 0.409 158 S N 1.846 117.620 115.700 0.123 0.000 2.567 158 S HA 0.540 5.009 4.470 -0.001 0.000 0.270 158 S C -1.494 173.215 174.600 0.181 0.000 1.152 158 S CA -0.902 57.389 58.200 0.150 0.000 0.835 158 S CB 1.885 65.199 63.200 0.189 0.000 1.115 158 S HN 0.684 nan 8.310 nan 0.000 0.459 159 E N 1.444 121.724 120.200 0.134 0.000 2.795 159 E HA 0.343 4.692 4.350 -0.001 0.000 0.226 159 E C -2.796 173.869 176.600 0.107 0.000 1.088 159 E CA -1.707 54.766 56.400 0.122 0.000 0.812 159 E CB 1.179 30.929 29.700 0.083 0.000 1.328 159 E HN 0.410 nan 8.360 nan 0.000 0.410 160 P HA -0.014 nan 4.420 nan 0.000 0.268 160 P C 0.147 177.557 177.300 0.184 0.000 1.205 160 P CA 0.208 63.370 63.100 0.103 0.000 0.771 160 P CB 1.202 32.908 31.700 0.011 0.000 0.858 161 A N 3.149 126.045 122.820 0.126 0.000 1.871 161 A HA 0.050 4.370 4.320 -0.001 0.000 0.211 161 A C 0.561 178.264 177.584 0.198 0.000 1.207 161 A CA 1.169 53.276 52.037 0.116 0.000 0.620 161 A CB -0.829 18.202 19.000 0.051 0.000 0.860 161 A HN 0.665 nan 8.150 nan 0.000 0.450 162 D N -2.659 117.832 120.400 0.151 0.000 2.440 162 D HA 0.404 5.043 4.640 -0.001 0.000 0.258 162 D C 0.844 177.198 176.300 0.091 0.000 1.092 162 D CA -0.759 53.338 54.000 0.162 0.000 1.016 162 D CB 0.735 41.569 40.800 0.056 0.000 1.141 162 D HN 0.095 nan 8.370 nan 0.000 0.552 163 R N -0.440 120.103 120.500 0.072 0.000 2.092 163 R HA -0.150 4.190 4.340 -0.001 0.000 0.231 163 R C 1.193 177.350 176.300 -0.238 0.000 1.119 163 R CA 1.236 57.213 56.100 -0.205 0.000 0.970 163 R CB -0.063 30.239 30.300 0.004 0.000 0.864 163 R HN 0.508 nan 8.270 nan 0.000 0.440 164 E N -0.532 119.607 120.200 -0.101 0.000 2.204 164 E HA -0.113 4.237 4.350 -0.001 0.000 0.195 164 E C 1.726 178.266 176.600 -0.100 0.000 0.990 164 E CA 1.833 58.189 56.400 -0.072 0.000 0.821 164 E CB -0.035 29.664 29.700 -0.003 0.000 0.750 164 E HN 0.332 nan 8.360 nan 0.000 0.477 165 T N 0.086 114.567 114.554 -0.121 0.000 2.896 165 T HA -0.092 4.258 4.350 -0.001 0.000 0.263 165 T C 1.664 176.241 174.700 -0.205 0.000 1.050 165 T CA 1.057 63.085 62.100 -0.119 0.000 1.140 165 T CB -0.147 68.678 68.868 -0.071 0.000 0.877 165 T HN 0.075 nan 8.240 nan 0.000 0.457 166 M N 1.523 120.900 119.600 -0.371 0.000 2.394 166 M HA 0.260 4.740 4.480 -0.001 0.000 0.264 166 M C 2.090 178.165 176.300 -0.375 0.000 1.073 166 M CA 0.458 55.455 55.300 -0.505 0.000 1.111 166 M CB -0.582 31.398 32.600 -1.034 0.000 1.401 166 M HN 0.217 nan 8.290 nan 0.000 0.448 167 A N -0.366 122.291 122.820 -0.272 0.000 1.854 167 A HA 0.110 4.430 4.320 -0.001 0.000 0.214 167 A C 2.324 179.823 177.584 -0.142 0.000 1.192 167 A CA 1.685 53.617 52.037 -0.175 0.000 0.611 167 A CB -1.388 17.542 19.000 -0.117 0.000 0.832 167 A HN 0.547 nan 8.150 nan 0.000 0.442 168 A N -0.587 122.161 122.820 -0.119 0.000 2.019 168 A HA -0.142 4.177 4.320 -0.001 0.000 0.219 168 A C 1.965 179.498 177.584 -0.085 0.000 1.164 168 A CA 1.669 53.657 52.037 -0.082 0.000 0.644 168 A CB -0.367 18.595 19.000 -0.063 0.000 0.805 168 A HN 0.534 nan 8.150 nan 0.000 0.449 169 E N -0.023 120.101 120.200 -0.126 0.000 2.016 169 E HA -0.093 4.257 4.350 -0.001 0.000 0.190 169 E C 2.080 178.607 176.600 -0.123 0.000 0.985 169 E CA 0.925 57.262 56.400 -0.106 0.000 0.802 169 E CB -0.496 29.101 29.700 -0.172 0.000 0.762 169 E HN 0.639 nan 8.360 nan 0.000 0.448 170 L N 1.197 122.279 121.223 -0.235 0.000 2.129 170 L HA -0.276 4.063 4.340 -0.001 0.000 0.212 170 L C 2.750 179.567 176.870 -0.088 0.000 1.087 170 L CA 1.224 55.963 54.840 -0.169 0.000 0.757 170 L CB -0.356 41.582 42.059 -0.201 0.000 0.896 170 L HN 0.149 nan 8.230 nan 0.000 0.434 171 Q N 0.576 120.321 119.800 -0.091 0.000 1.990 171 Q HA -0.229 4.110 4.340 -0.001 0.000 0.200 171 Q C 2.227 178.154 176.000 -0.122 0.000 0.980 171 Q CA 1.961 57.718 55.803 -0.076 0.000 0.832 171 Q CB -0.207 28.499 28.738 -0.053 0.000 0.897 171 Q HN 0.338 nan 8.270 nan 0.000 0.427 172 R N -0.427 119.989 120.500 -0.140 0.000 2.097 172 R HA -0.164 4.176 4.340 -0.001 0.000 0.236 172 R C 2.274 178.450 176.300 -0.208 0.000 1.135 172 R CA 2.561 58.501 56.100 -0.267 0.000 0.934 172 R CB -0.951 29.276 30.300 -0.120 0.000 0.846 172 R HN 0.538 nan 8.270 nan 0.000 0.431 173 T N -1.414 113.111 114.554 -0.048 0.000 2.732 173 T HA -0.136 4.214 4.350 -0.001 0.000 0.261 173 T C 0.874 175.585 174.700 0.019 0.000 1.040 173 T CA 0.814 62.935 62.100 0.034 0.000 1.145 173 T CB -0.464 68.518 68.868 0.190 0.000 0.866 173 T HN 0.544 nan 8.240 nan 0.000 0.427 174 N N 2.409 121.124 118.700 0.024 0.000 2.621 174 N HA -0.081 4.658 4.740 -0.001 0.000 0.269 174 N C -2.908 172.625 175.510 0.038 0.000 1.154 174 N CA 0.156 53.215 53.050 0.015 0.000 0.696 174 N CB -0.655 37.822 38.487 -0.016 0.000 0.878 174 N HN 0.363 nan 8.380 nan 0.000 0.550 175 P HA 0.160 nan 4.420 nan 0.000 0.269 175 P C 0.271 177.593 177.300 0.037 0.000 1.209 175 P CA 0.004 63.141 63.100 0.061 0.000 0.776 175 P CB 0.575 32.330 31.700 0.091 0.000 0.876 176 A N 1.873 124.712 122.820 0.032 0.000 2.195 176 A HA 0.048 4.368 4.320 -0.001 0.000 0.210 176 A C 0.696 178.299 177.584 0.032 0.000 1.165 176 A CA 0.685 52.738 52.037 0.026 0.000 0.806 176 A CB -0.344 18.669 19.000 0.021 0.000 0.847 176 A HN 0.630 nan 8.150 nan 0.000 0.482 177 E N 0.229 120.454 120.200 0.043 0.000 2.432 177 E HA 0.415 4.765 4.350 -0.001 0.000 0.272 177 E C -1.546 175.081 176.600 0.044 0.000 0.937 177 E CA -0.407 56.023 56.400 0.050 0.000 0.812 177 E CB 0.691 30.442 29.700 0.084 0.000 1.377 177 E HN 0.254 nan 8.360 nan 0.000 0.399 178 L N 4.994 126.239 121.223 0.036 0.000 2.399 178 L HA 0.533 4.873 4.340 -0.001 0.000 0.266 178 L C -0.746 176.138 176.870 0.024 0.000 1.114 178 L CA -0.704 54.165 54.840 0.049 0.000 0.804 178 L CB 0.923 43.005 42.059 0.038 0.000 1.146 178 L HN 0.619 nan 8.230 nan 0.000 0.451 179 L N 4.006 125.256 121.223 0.046 0.000 2.385 179 L HA 0.459 4.798 4.340 -0.001 0.000 0.273 179 L C -1.186 175.829 176.870 0.242 0.000 0.990 179 L CA -0.772 54.083 54.840 0.025 0.000 0.821 179 L CB 1.736 43.698 42.059 -0.161 0.000 1.279 179 L HN 0.495 nan 8.230 nan 0.000 0.412 180 Y N 2.170 122.520 120.300 0.083 0.000 2.615 180 Y HA 0.907 5.456 4.550 -0.001 0.000 0.341 180 Y C -1.066 174.960 175.900 0.210 0.000 1.089 180 Y CA -1.045 57.129 58.100 0.124 0.000 1.049 180 Y CB 1.556 39.933 38.460 -0.139 0.000 1.296 180 Y HN 0.603 nan 8.280 nan 0.000 0.470 181 A N 1.712 124.506 122.820 -0.043 0.000 2.309 181 A HA 0.670 4.989 4.320 -0.001 0.000 0.317 181 A C 0.158 177.668 177.584 -0.122 0.000 1.134 181 A CA -0.557 51.406 52.037 -0.123 0.000 0.866 181 A CB 0.999 19.863 19.000 -0.228 0.000 1.329 181 A HN 0.881 nan 8.150 nan 0.000 0.477 182 E N 0.011 120.174 120.200 -0.062 0.000 2.046 182 E HA -0.110 4.239 4.350 -0.001 0.000 0.190 182 E C 1.064 177.730 176.600 0.110 0.000 0.982 182 E CA 1.390 57.803 56.400 0.021 0.000 0.800 182 E CB -0.181 29.526 29.700 0.013 0.000 0.756 182 E HN 0.738 nan 8.360 nan 0.000 0.449 183 D N -0.202 120.251 120.400 0.088 0.000 2.254 183 D HA -0.201 4.439 4.640 -0.001 0.000 0.201 183 D C -0.263 176.118 176.300 0.134 0.000 0.998 183 D CA 0.408 54.467 54.000 0.099 0.000 0.885 183 D CB -0.190 40.678 40.800 0.113 0.000 0.915 183 D HN 0.074 nan 8.370 nan 0.000 0.460 184 F N -0.393 119.612 119.950 0.091 0.000 2.502 184 F HA 0.312 4.839 4.527 -0.001 0.000 0.371 184 F C 1.003 176.887 175.800 0.142 0.000 1.083 184 F CA -0.061 58.024 58.000 0.143 0.000 1.174 184 F CB 0.895 40.071 39.000 0.294 0.000 1.096 184 F HN -0.087 nan 8.300 nan 0.000 0.545 185 A N 3.988 126.643 122.820 -0.275 0.000 2.382 185 A HA 0.142 4.462 4.320 -0.001 0.000 0.228 185 A C 0.761 178.229 177.584 -0.193 0.000 1.217 185 A CA -0.076 51.882 52.037 -0.131 0.000 0.923 185 A CB -0.158 18.772 19.000 -0.116 0.000 0.979 185 A HN 0.568 nan 8.150 nan 0.000 0.515 186 E N 0.692 120.573 120.200 -0.531 0.000 2.232 186 E HA 0.239 4.588 4.350 -0.001 0.000 0.296 186 E C 0.988 177.683 176.600 0.157 0.000 1.372 186 E CA -0.240 56.026 56.400 -0.224 0.000 1.527 186 E CB -0.348 29.228 29.700 -0.206 0.000 1.424 186 E HN 0.277 nan 8.360 nan 0.000 0.485 187 M N 0.141 119.864 119.600 0.205 0.000 2.279 187 M HA -0.119 4.361 4.480 -0.001 0.000 0.264 187 M C 1.643 178.020 176.300 0.128 0.000 1.062 187 M CA 0.984 56.426 55.300 0.236 0.000 1.099 187 M CB -1.091 31.593 32.600 0.140 0.000 1.394 187 M HN 0.331 nan 8.290 nan 0.000 0.426 188 S N 0.621 116.374 115.700 0.089 0.000 2.420 188 S HA -0.144 4.326 4.470 -0.001 0.000 0.237 188 S C 2.031 176.656 174.600 0.042 0.000 1.023 188 S CA 1.047 59.276 58.200 0.049 0.000 0.991 188 S CB -0.816 62.404 63.200 0.034 0.000 0.792 188 S HN 0.449 nan 8.310 nan 0.000 0.488 189 L N 0.827 122.100 121.223 0.082 0.000 2.056 189 L HA 0.051 4.391 4.340 -0.001 0.000 0.207 189 L C 2.091 178.958 176.870 -0.005 0.000 1.078 189 L CA 1.076 55.943 54.840 0.045 0.000 0.749 189 L CB -0.168 41.954 42.059 0.104 0.000 0.901 189 L HN 0.472 nan 8.230 nan 0.000 0.433 190 I N -2.748 117.812 120.570 -0.017 0.000 4.225 190 I HA 0.071 4.241 4.170 -0.001 0.000 0.327 190 I C 1.636 177.669 176.117 -0.141 0.000 1.422 190 I CA 0.207 61.434 61.300 -0.122 0.000 1.150 190 I CB -0.647 37.195 38.000 -0.263 0.000 1.192 190 I HN 0.305 nan 8.210 nan 0.000 0.440 191 E N 2.347 122.497 120.200 -0.083 0.000 2.077 191 E HA -0.050 4.300 4.350 -0.001 0.000 0.193 191 E C 1.563 178.129 176.600 -0.057 0.000 0.989 191 E CA 1.359 57.712 56.400 -0.078 0.000 0.800 191 E CB -0.568 29.117 29.700 -0.024 0.000 0.746 191 E HN 0.455 nan 8.360 nan 0.000 0.452 192 G N 1.042 109.819 108.800 -0.038 0.000 3.939 192 G HA2 0.153 4.112 3.960 -0.001 0.000 0.268 192 G HA3 0.153 4.112 3.960 -0.001 0.000 0.268 192 G C -0.419 174.464 174.900 -0.028 0.000 1.172 192 G CA -0.613 44.472 45.100 -0.024 0.000 1.614 192 G HN -0.091 nan 8.290 nan 0.000 0.639 193 R N 0.808 121.283 120.500 -0.041 0.000 2.711 193 R HA 0.338 4.678 4.340 -0.001 0.000 0.284 193 R C 0.184 176.470 176.300 -0.023 0.000 0.968 193 R CA -0.816 55.261 56.100 -0.038 0.000 0.924 193 R CB 1.628 31.891 30.300 -0.062 0.000 1.162 193 R HN 0.559 nan 8.270 nan 0.000 0.465 194 R N 0.676 121.169 120.500 -0.011 0.000 2.491 194 R HA 0.264 4.604 4.340 -0.001 0.000 0.283 194 R C 0.238 176.540 176.300 0.004 0.000 1.072 194 R CA 0.534 56.634 56.100 -0.001 0.000 1.048 194 R CB 0.351 30.653 30.300 0.004 0.000 0.983 194 R HN 0.703 nan 8.270 nan 0.000 0.450 195 G N 3.389 112.195 108.800 0.010 0.000 2.353 195 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.294 195 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.294 195 G C -0.251 174.662 174.900 0.021 0.000 1.077 195 G CA -0.169 44.943 45.100 0.020 0.000 1.098 195 G HN 0.560 nan 8.290 nan 0.000 0.511 196 L N 1.046 122.281 121.223 0.020 0.000 2.290 196 L HA 0.612 4.951 4.340 -0.001 0.000 0.284 196 L C 0.796 177.711 176.870 0.076 0.000 1.078 196 L CA -0.640 54.221 54.840 0.036 0.000 0.815 196 L CB 0.755 42.819 42.059 0.007 0.000 1.162 196 L HN 0.232 nan 8.230 nan 0.000 0.435 197 R N 3.151 123.709 120.500 0.097 0.000 2.750 197 R HA 0.556 4.895 4.340 -0.001 0.000 0.281 197 R C -0.941 175.421 176.300 0.103 0.000 0.972 197 R CA -0.951 55.183 56.100 0.057 0.000 0.912 197 R CB 2.423 32.683 30.300 -0.067 0.000 1.187 197 R HN 0.528 nan 8.270 nan 0.000 0.464 198 R N 1.474 121.982 120.500 0.013 0.000 2.494 198 R HA 0.442 4.781 4.340 -0.001 0.000 0.305 198 R C -0.759 175.466 176.300 -0.125 0.000 0.959 198 R CA -0.658 55.358 56.100 -0.140 0.000 0.864 198 R CB 1.007 31.225 30.300 -0.136 0.000 1.159 198 R HN 0.406 nan 8.270 nan 0.000 0.446 199 R N 4.248 124.672 120.500 -0.127 0.000 2.750 199 R HA 0.468 4.807 4.340 -0.001 0.000 0.281 199 R C -2.494 173.838 176.300 0.053 0.000 0.972 199 R CA -2.527 53.553 56.100 -0.032 0.000 0.912 199 R CB 1.275 31.541 30.300 -0.056 0.000 1.187 199 R HN 0.564 nan 8.270 nan 0.000 0.464 200 P HA 0.042 nan 4.420 nan 0.000 0.285 200 P C 0.752 178.155 177.300 0.172 0.000 1.282 200 P CA -0.437 62.722 63.100 0.098 0.000 0.778 200 P CB 0.835 32.592 31.700 0.096 0.000 1.222 201 L N -0.819 120.490 121.223 0.143 0.000 2.023 201 L HA -0.050 4.290 4.340 -0.001 0.000 0.205 201 L C 2.483 179.446 176.870 0.154 0.000 1.073 201 L CA 1.202 56.118 54.840 0.127 0.000 0.745 201 L CB -0.857 41.257 42.059 0.092 0.000 0.900 201 L HN 0.333 nan 8.230 nan 0.000 0.435 202 W N 1.391 122.696 121.300 0.009 0.000 2.325 202 W HA -0.282 4.377 4.660 -0.001 0.000 0.299 202 W C 2.084 178.582 176.519 -0.034 0.000 1.215 202 W CA 2.308 59.645 57.345 -0.013 0.000 1.244 202 W CB -0.230 29.221 29.460 -0.017 0.000 1.140 202 W HN 0.413 nan 8.180 nan 0.000 0.523 203 E N -0.275 120.048 120.200 0.204 0.000 2.038 203 E HA -0.210 4.139 4.350 -0.001 0.000 0.195 203 E C 0.473 176.939 176.600 -0.223 0.000 1.000 203 E CA 1.042 57.450 56.400 0.013 0.000 0.803 203 E CB -0.657 28.989 29.700 -0.091 0.000 0.750 203 E HN -0.002 nan 8.360 nan 0.000 0.448 204 F N 1.890 121.723 119.950 -0.196 0.000 2.552 204 F HA 0.077 4.603 4.527 -0.001 0.000 0.342 204 F C 0.698 176.265 175.800 -0.388 0.000 1.257 204 F CA 0.392 58.175 58.000 -0.363 0.000 1.058 204 F CB 0.179 38.822 39.000 -0.594 0.000 1.288 204 F HN -0.105 nan 8.300 nan 0.000 0.627 205 E N 2.562 122.624 120.200 -0.229 0.000 2.312 205 E HA 0.413 4.762 4.350 -0.001 0.000 0.267 205 E C 0.644 177.130 176.600 -0.190 0.000 0.894 205 E CA -0.432 55.797 56.400 -0.285 0.000 0.773 205 E CB 1.935 31.355 29.700 -0.466 0.000 1.241 205 E HN 0.454 nan 8.360 nan 0.000 0.432 206 I N -0.064 120.409 120.570 -0.161 0.000 3.081 206 I HA 0.054 4.224 4.170 -0.001 0.000 0.274 206 I C 1.116 177.187 176.117 -0.076 0.000 1.178 206 I CA -0.002 61.248 61.300 -0.083 0.000 1.460 206 I CB 0.177 38.153 38.000 -0.041 0.000 1.137 206 I HN 0.247 nan 8.210 nan 0.000 0.443 207 D N 1.645 121.977 120.400 -0.113 0.000 2.202 207 D HA -0.077 4.562 4.640 -0.001 0.000 0.214 207 D C 2.290 178.542 176.300 -0.079 0.000 0.967 207 D CA 2.124 56.073 54.000 -0.085 0.000 0.871 207 D CB -0.073 40.670 40.800 -0.095 0.000 1.020 207 D HN 0.315 nan 8.370 nan 0.000 0.474 208 T N 0.857 115.337 114.554 -0.124 0.000 2.746 208 T HA -0.096 4.253 4.350 -0.001 0.000 0.267 208 T C 2.197 176.862 174.700 -0.059 0.000 1.039 208 T CA 1.433 63.484 62.100 -0.081 0.000 1.142 208 T CB -0.458 68.351 68.868 -0.097 0.000 0.866 208 T HN 0.104 nan 8.240 nan 0.000 0.444 209 A N 2.705 125.477 122.820 -0.081 0.000 1.870 209 A HA -0.262 4.058 4.320 -0.001 0.000 0.219 209 A C 2.541 180.113 177.584 -0.020 0.000 1.224 209 A CA 2.265 54.271 52.037 -0.051 0.000 0.650 209 A CB -0.961 18.006 19.000 -0.055 0.000 0.836 209 A HN 0.535 nan 8.150 nan 0.000 0.454 210 R N -1.180 119.315 120.500 -0.008 0.000 2.115 210 R HA -0.219 4.121 4.340 -0.001 0.000 0.239 210 R C 2.653 178.970 176.300 0.029 0.000 1.133 210 R CA 1.752 57.867 56.100 0.025 0.000 0.935 210 R CB -0.472 29.843 30.300 0.023 0.000 0.853 210 R HN 0.772 nan 8.270 nan 0.000 0.433 211 Q N 0.977 120.782 119.800 0.010 0.000 2.061 211 Q HA -0.264 4.076 4.340 -0.001 0.000 0.204 211 Q C 1.979 177.976 176.000 -0.004 0.000 0.984 211 Q CA 1.932 57.742 55.803 0.011 0.000 0.846 211 Q CB -0.035 28.706 28.738 0.005 0.000 0.902 211 Q HN 0.261 nan 8.270 nan 0.000 0.421 212 Q N 0.080 119.867 119.800 -0.022 0.000 2.123 212 Q HA 0.009 4.349 4.340 -0.001 0.000 0.199 212 Q C 2.280 178.211 176.000 -0.115 0.000 0.966 212 Q CA 1.117 56.890 55.803 -0.051 0.000 0.845 212 Q CB -0.148 28.567 28.738 -0.039 0.000 0.907 212 Q HN 0.449 nan 8.270 nan 0.000 0.439 213 L N 0.121 121.287 121.223 -0.095 0.000 1.961 213 L HA -0.209 4.131 4.340 -0.001 0.000 0.210 213 L C 2.117 178.906 176.870 -0.136 0.000 1.072 213 L CA 1.368 56.101 54.840 -0.178 0.000 0.749 213 L CB -0.676 41.428 42.059 0.074 0.000 0.889 213 L HN 0.306 nan 8.230 nan 0.000 0.432 214 N N 0.125 118.885 118.700 0.101 0.000 2.192 214 N HA -0.209 4.531 4.740 -0.001 0.000 0.188 214 N C 1.779 177.348 175.510 0.098 0.000 1.013 214 N CA 1.298 54.464 53.050 0.193 0.000 0.863 214 N CB -0.235 38.344 38.487 0.153 0.000 0.990 214 N HN 0.172 nan 8.380 nan 0.000 0.430 215 L N 1.851 123.075 121.223 0.002 0.000 2.027 215 L HA -0.157 4.183 4.340 -0.001 0.000 0.206 215 L C 2.442 179.271 176.870 -0.068 0.000 1.074 215 L CA 1.766 56.595 54.840 -0.020 0.000 0.745 215 L CB -1.119 40.920 42.059 -0.033 0.000 0.898 215 L HN 0.024 nan 8.230 nan 0.000 0.433 216 Q N -0.954 118.716 119.800 -0.216 0.000 2.061 216 Q HA -0.193 4.147 4.340 -0.001 0.000 0.204 216 Q C 1.826 177.694 176.000 -0.220 0.000 0.984 216 Q CA 2.406 58.011 55.803 -0.330 0.000 0.846 216 Q CB -0.361 27.986 28.738 -0.653 0.000 0.902 216 Q HN 0.504 nan 8.270 nan 0.000 0.421 217 F N -1.937 118.047 119.950 0.056 0.000 2.044 217 F HA 0.287 4.814 4.527 -0.001 0.000 0.287 217 F C 1.920 177.814 175.800 0.158 0.000 1.155 217 F CA 1.259 59.330 58.000 0.118 0.000 1.152 217 F CB -0.857 38.238 39.000 0.158 0.000 1.013 217 F HN 0.260 nan 8.300 nan 0.000 0.478 218 G N -1.431 107.599 108.800 0.383 0.000 3.645 218 G HA2 0.150 4.109 3.960 -0.001 0.000 0.122 218 G HA3 0.150 4.109 3.960 -0.001 0.000 0.122 218 G C 0.292 175.290 174.900 0.163 0.000 1.252 218 G CA 0.185 45.422 45.100 0.229 0.000 1.225 218 G HN 0.437 nan 8.290 nan 0.000 0.541 219 T N -0.276 114.369 114.554 0.152 0.000 2.793 219 T HA 0.402 4.751 4.350 -0.001 0.000 0.299 219 T C 1.279 176.040 174.700 0.102 0.000 1.038 219 T CA 0.530 62.682 62.100 0.087 0.000 0.948 219 T CB 0.980 69.864 68.868 0.026 0.000 1.231 219 T HN 0.582 nan 8.240 nan 0.000 0.538 220 R N 0.482 121.021 120.500 0.066 0.000 2.359 220 R HA 0.261 4.600 4.340 -0.001 0.000 0.231 220 R C -0.363 175.975 176.300 0.063 0.000 0.913 220 R CA -0.419 55.717 56.100 0.061 0.000 1.075 220 R CB -0.360 29.963 30.300 0.038 0.000 1.087 220 R HN 0.803 nan 8.270 nan 0.000 0.515 221 D N 0.113 120.557 120.400 0.073 0.000 2.609 221 D HA 0.091 4.730 4.640 -0.001 0.000 0.239 221 D C -0.039 176.324 176.300 0.105 0.000 1.229 221 D CA -0.853 53.189 54.000 0.070 0.000 0.808 221 D CB 1.134 41.951 40.800 0.028 0.000 1.448 221 D HN 0.026 nan 8.370 nan 0.000 0.433 222 L N 1.258 122.558 121.223 0.127 0.000 2.872 222 L HA 0.174 4.513 4.340 -0.001 0.000 0.245 222 L C 1.475 178.405 176.870 0.101 0.000 1.211 222 L CA -0.265 54.708 54.840 0.223 0.000 1.013 222 L CB 0.633 42.839 42.059 0.245 0.000 1.326 222 L HN 0.232 nan 8.230 nan 0.000 0.525 223 V N -0.043 119.874 119.914 0.005 0.000 2.871 223 V HA -0.054 4.065 4.120 -0.001 0.000 0.256 223 V C 2.484 178.520 176.094 -0.098 0.000 1.082 223 V CA 1.694 63.978 62.300 -0.028 0.000 1.105 223 V CB -0.527 31.279 31.823 -0.028 0.000 0.713 223 V HN 0.610 nan 8.190 nan 0.000 0.473 224 G N -0.026 108.642 108.800 -0.221 0.000 2.422 224 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.218 224 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.218 224 G C 1.318 175.966 174.900 -0.419 0.000 1.146 224 G CA 0.688 45.564 45.100 -0.373 0.000 0.769 224 G HN 0.508 nan 8.290 nan 0.000 0.547 225 F N 0.523 120.404 119.950 -0.114 0.000 2.512 225 F HA 0.289 4.815 4.527 -0.001 0.000 0.296 225 F C 2.182 177.914 175.800 -0.112 0.000 1.110 225 F CA 0.461 58.368 58.000 -0.155 0.000 1.446 225 F CB -0.118 38.723 39.000 -0.265 0.000 1.092 225 F HN 0.280 nan 8.300 nan 0.000 0.554 226 G N 0.393 109.225 108.800 0.054 0.000 2.132 226 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.228 226 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.228 226 G C 0.528 175.445 174.900 0.029 0.000 1.000 226 G CA 0.342 45.455 45.100 0.022 0.000 0.693 226 G HN 0.686 nan 8.290 nan 0.000 0.515 227 V N -2.824 117.117 119.914 0.046 0.000 3.085 227 V HA 0.658 4.778 4.120 -0.001 0.000 0.345 227 V C 1.360 177.473 176.094 0.032 0.000 1.397 227 V CA 1.120 63.433 62.300 0.022 0.000 1.165 227 V CB 0.883 32.692 31.823 -0.022 0.000 1.153 227 V HN 0.242 nan 8.190 nan 0.000 0.495 228 E N 3.182 123.404 120.200 0.037 0.000 2.060 228 E HA -0.079 4.270 4.350 -0.001 0.000 0.189 228 E C 1.733 178.353 176.600 0.034 0.000 0.974 228 E CA 1.652 58.076 56.400 0.039 0.000 0.808 228 E CB -0.063 29.657 29.700 0.033 0.000 0.768 228 E HN 0.816 nan 8.360 nan 0.000 0.453 229 N N 0.297 119.014 118.700 0.028 0.000 2.327 229 N HA 0.122 4.861 4.740 -0.001 0.000 0.231 229 N C -0.945 174.585 175.510 0.033 0.000 1.130 229 N CA 0.341 53.407 53.050 0.027 0.000 0.845 229 N CB 0.974 39.472 38.487 0.018 0.000 1.073 229 N HN 0.088 nan 8.380 nan 0.000 0.496 230 A N 1.615 124.460 122.820 0.042 0.000 2.586 230 A HA 0.447 4.766 4.320 -0.001 0.000 0.320 230 A C -1.741 175.893 177.584 0.083 0.000 1.281 230 A CA -1.224 50.847 52.037 0.056 0.000 0.775 230 A CB 1.546 20.576 19.000 0.050 0.000 1.122 230 A HN 0.023 nan 8.150 nan 0.000 0.470 231 P HA -0.145 nan 4.420 nan 0.000 0.215 231 P C 1.324 178.771 177.300 0.245 0.000 1.157 231 P CA 0.853 64.037 63.100 0.140 0.000 0.856 231 P CB 0.165 31.945 31.700 0.132 0.000 0.786 232 R N -0.195 120.473 120.500 0.281 0.000 2.117 232 R HA -0.095 4.244 4.340 -0.001 0.000 0.243 232 R C 2.663 179.271 176.300 0.514 0.000 1.143 232 R CA 1.858 58.228 56.100 0.450 0.000 0.968 232 R CB -1.493 28.866 30.300 0.099 0.000 0.863 232 R HN 0.286 nan 8.270 nan 0.000 0.444 233 G N 0.931 109.905 108.800 0.290 0.000 2.403 233 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.216 233 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.216 233 G C 1.469 176.481 174.900 0.185 0.000 1.154 233 G CA 0.136 45.379 45.100 0.239 0.000 0.784 233 G HN 0.114 nan 8.290 nan 0.000 0.538 234 L N 0.149 121.458 121.223 0.144 0.000 2.131 234 L HA -0.089 4.250 4.340 -0.001 0.000 0.210 234 L C 2.974 179.894 176.870 0.084 0.000 1.092 234 L CA 0.525 55.411 54.840 0.076 0.000 0.759 234 L CB -0.460 41.633 42.059 0.058 0.000 0.903 234 L HN 0.233 nan 8.230 nan 0.000 0.435 235 C N -0.483 118.907 119.300 0.150 0.000 2.436 235 C HA -0.174 4.285 4.460 -0.001 0.000 0.277 235 C C 3.140 178.186 174.990 0.093 0.000 1.241 235 C CA 0.695 59.748 59.018 0.059 0.000 1.721 235 C CB -1.070 26.622 27.740 -0.079 0.000 2.043 235 C HN 0.640 nan 8.230 nan 0.000 0.472 236 A N 0.907 123.907 122.820 0.300 0.000 1.859 236 A HA -0.156 4.163 4.320 -0.001 0.000 0.218 236 A C 2.410 180.057 177.584 0.105 0.000 1.209 236 A CA 2.961 55.174 52.037 0.294 0.000 0.639 236 A CB -1.407 17.837 19.000 0.406 0.000 0.835 236 A HN 0.681 nan 8.150 nan 0.000 0.450 237 A N -0.865 122.029 122.820 0.124 0.000 1.903 237 A HA -0.036 4.283 4.320 -0.001 0.000 0.219 237 A C 2.529 180.180 177.584 0.111 0.000 1.191 237 A CA 2.539 54.664 52.037 0.146 0.000 0.638 237 A CB -1.659 17.312 19.000 -0.047 0.000 0.823 237 A HN 1.028 nan 8.150 nan 0.000 0.451 238 G N -1.227 107.580 108.800 0.012 0.000 2.446 238 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.217 238 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.217 238 G C 1.834 176.678 174.900 -0.093 0.000 1.168 238 G CA 1.416 46.491 45.100 -0.042 0.000 0.771 238 G HN 0.719 nan 8.290 nan 0.000 0.551 239 C N -0.128 119.039 119.300 -0.222 0.000 2.446 239 C HA 0.157 4.616 4.460 -0.001 0.000 0.277 239 C C 2.730 177.633 174.990 -0.144 0.000 1.275 239 C CA 0.966 59.780 59.018 -0.340 0.000 1.727 239 C CB -1.103 26.110 27.740 -0.878 0.000 2.010 239 C HN 0.432 nan 8.230 nan 0.000 0.486 240 L N 0.210 121.395 121.223 -0.063 0.000 1.994 240 L HA -0.073 4.267 4.340 -0.001 0.000 0.208 240 L C 2.503 179.400 176.870 0.043 0.000 1.071 240 L CA 1.874 56.728 54.840 0.023 0.000 0.745 240 L CB -0.593 41.506 42.059 0.066 0.000 0.892 240 L HN 0.420 nan 8.230 nan 0.000 0.431 241 L N -0.318 120.941 121.223 0.059 0.000 2.042 241 L HA -0.270 4.070 4.340 -0.001 0.000 0.210 241 L C 2.484 179.346 176.870 -0.013 0.000 1.076 241 L CA 1.764 56.607 54.840 0.005 0.000 0.749 241 L CB -0.499 41.596 42.059 0.061 0.000 0.893 241 L HN 0.332 nan 8.230 nan 0.000 0.432 242 Q N -1.938 117.868 119.800 0.010 0.000 2.172 242 Q HA -0.220 4.119 4.340 -0.001 0.000 0.200 242 Q C 1.983 178.008 176.000 0.042 0.000 0.964 242 Q CA 1.559 57.371 55.803 0.014 0.000 0.855 242 Q CB -0.488 28.265 28.738 0.026 0.000 0.918 242 Q HN 0.682 nan 8.270 nan 0.000 0.444 243 Y N -0.417 119.839 120.300 -0.074 0.000 2.263 243 Y HA -0.027 4.523 4.550 -0.001 0.000 0.292 243 Y C 1.823 177.684 175.900 -0.065 0.000 1.130 243 Y CA 1.422 59.481 58.100 -0.069 0.000 1.179 243 Y CB -0.326 38.085 38.460 -0.082 0.000 0.998 243 Y HN 0.121 nan 8.280 nan 0.000 0.532 244 A N 0.089 122.842 122.820 -0.112 0.000 1.930 244 A HA -0.064 4.256 4.320 -0.001 0.000 0.215 244 A C 2.135 179.615 177.584 -0.174 0.000 1.176 244 A CA 1.308 53.230 52.037 -0.193 0.000 0.632 244 A CB -0.356 18.567 19.000 -0.127 0.000 0.819 244 A HN 0.456 nan 8.150 nan 0.000 0.445 245 K N -0.144 120.183 120.400 -0.122 0.000 2.148 245 K HA -0.114 4.205 4.320 -0.001 0.000 0.204 245 K C 1.610 178.145 176.600 -0.108 0.000 1.050 245 K CA 1.130 57.359 56.287 -0.096 0.000 0.942 245 K CB -0.114 32.344 32.500 -0.071 0.000 0.724 245 K HN 0.459 nan 8.250 nan 0.000 0.446 246 D N 0.672 120.994 120.400 -0.131 0.000 2.084 246 D HA -0.143 4.497 4.640 -0.001 0.000 0.194 246 D C 1.914 178.116 176.300 -0.163 0.000 0.990 246 D CA 1.949 55.872 54.000 -0.129 0.000 0.826 246 D CB 0.088 40.817 40.800 -0.119 0.000 0.971 246 D HN 0.271 nan 8.370 nan 0.000 0.453 247 T N -1.276 113.122 114.554 -0.260 0.000 2.833 247 T HA -0.150 4.200 4.350 -0.001 0.000 0.269 247 T C 1.857 176.466 174.700 -0.151 0.000 1.054 247 T CA 0.933 62.889 62.100 -0.240 0.000 1.135 247 T CB -0.137 68.526 68.868 -0.341 0.000 0.869 247 T HN 0.017 nan 8.240 nan 0.000 0.466 248 Q N 0.455 120.174 119.800 -0.135 0.000 2.137 248 Q HA 0.109 4.448 4.340 -0.001 0.000 0.198 248 Q C 0.688 176.644 176.000 -0.073 0.000 0.960 248 Q CA 0.457 56.205 55.803 -0.091 0.000 0.847 248 Q CB -0.178 28.516 28.738 -0.073 0.000 0.915 248 Q HN 0.435 nan 8.270 nan 0.000 0.448 249 R N 0.402 120.858 120.500 -0.073 0.000 3.322 249 R HA -0.139 4.200 4.340 -0.001 0.000 0.253 249 R C -0.280 175.991 176.300 -0.050 0.000 0.987 249 R CA 1.105 57.170 56.100 -0.057 0.000 0.666 249 R CB -2.701 27.567 30.300 -0.052 0.000 1.072 249 R HN 0.384 nan 8.270 nan 0.000 0.447 250 T N -2.285 112.241 114.554 -0.047 0.000 2.827 250 T HA 0.336 4.686 4.350 -0.001 0.000 0.328 250 T C -0.285 174.398 174.700 -0.028 0.000 1.598 250 T CA 0.164 62.240 62.100 -0.039 0.000 1.043 250 T CB 1.327 70.168 68.868 -0.044 0.000 1.447 250 T HN 0.252 nan 8.240 nan 0.000 0.491 251 T N 1.550 116.092 114.554 -0.019 0.000 2.802 251 T HA 0.574 4.924 4.350 -0.001 0.000 0.305 251 T C 0.200 174.916 174.700 0.025 0.000 1.053 251 T CA -0.558 61.538 62.100 -0.007 0.000 1.058 251 T CB 0.121 68.987 68.868 -0.004 0.000 0.988 251 T HN 0.495 nan 8.240 nan 0.000 0.539 252 L N 2.813 124.058 121.223 0.036 0.000 2.457 252 L HA 0.301 4.640 4.340 -0.001 0.000 0.252 252 L C -1.619 175.316 176.870 0.110 0.000 1.132 252 L CA -1.986 52.928 54.840 0.123 0.000 0.938 252 L CB 1.723 43.807 42.059 0.042 0.000 1.246 252 L HN 0.539 nan 8.230 nan 0.000 0.476 253 P HA -0.173 nan 4.420 nan 0.000 0.219 253 P C 1.359 178.754 177.300 0.159 0.000 1.150 253 P CA 1.306 64.484 63.100 0.129 0.000 0.814 253 P CB -0.050 31.717 31.700 0.112 0.000 0.787 254 H N 0.527 119.621 119.070 0.041 0.000 2.421 254 H HA -0.013 4.542 4.556 -0.001 0.000 0.298 254 H C 0.927 176.303 175.328 0.081 0.000 1.087 254 H CA 0.371 56.452 56.048 0.054 0.000 1.330 254 H CB -1.581 28.201 29.762 0.034 0.000 1.388 254 H HN 0.147 nan 8.280 nan 0.000 0.526 255 I N 3.606 123.886 120.570 -0.483 0.000 2.349 255 I HA 0.030 4.199 4.170 -0.001 0.000 0.302 255 I C 1.372 177.550 176.117 0.103 0.000 1.180 255 I CA 0.228 61.387 61.300 -0.234 0.000 1.405 255 I CB 0.137 37.952 38.000 -0.308 0.000 1.474 255 I HN 0.333 nan 8.210 nan 0.000 0.632 256 R N 2.470 123.096 120.500 0.210 0.000 2.404 256 R HA 0.313 4.652 4.340 -0.001 0.000 0.237 256 R C 0.534 177.057 176.300 0.371 0.000 0.907 256 R CA -0.230 56.068 56.100 0.330 0.000 1.063 256 R CB 0.621 31.052 30.300 0.217 0.000 1.134 256 R HN 0.413 nan 8.270 nan 0.000 0.529 257 S N -0.174 115.607 115.700 0.135 0.000 2.656 257 S HA 0.660 5.129 4.470 -0.001 0.000 0.273 257 S C -1.763 172.462 174.600 -0.625 0.000 1.168 257 S CA -0.807 57.153 58.200 -0.399 0.000 0.817 257 S CB 1.745 64.976 63.200 0.052 0.000 1.146 257 S HN 0.251 nan 8.310 nan 0.000 0.475 258 I N 1.815 121.832 120.570 -0.920 0.000 2.743 258 I HA 0.598 4.767 4.170 -0.001 0.000 0.292 258 I C -1.238 174.685 176.117 -0.323 0.000 1.343 258 I CA -0.055 60.866 61.300 -0.633 0.000 1.038 258 I CB 2.134 39.504 38.000 -1.049 0.000 1.311 258 I HN 0.886 nan 8.210 nan 0.000 0.426 259 T N 4.101 118.566 114.554 -0.150 0.000 2.901 259 T HA 0.606 4.956 4.350 -0.001 0.000 0.293 259 T C -0.749 173.926 174.700 -0.041 0.000 1.084 259 T CA -0.826 61.243 62.100 -0.051 0.000 1.008 259 T CB 1.994 70.865 68.868 0.005 0.000 1.170 259 T HN 0.671 nan 8.240 nan 0.000 0.509 260 M N 1.493 121.086 119.600 -0.012 0.000 2.093 260 M HA 0.527 5.007 4.480 -0.001 0.000 0.297 260 M C -1.037 175.272 176.300 0.016 0.000 0.938 260 M CA -0.419 54.884 55.300 0.005 0.000 0.920 260 M CB 1.467 34.069 32.600 0.005 0.000 1.517 260 M HN 0.673 nan 8.290 nan 0.000 0.427 261 E N 3.353 123.569 120.200 0.028 0.000 2.384 261 E HA 0.169 4.519 4.350 -0.001 0.000 0.266 261 E C -0.859 175.753 176.600 0.020 0.000 1.012 261 E CA 0.350 56.764 56.400 0.024 0.000 0.901 261 E CB 0.810 30.531 29.700 0.034 0.000 0.967 261 E HN 0.559 nan 8.360 nan 0.000 0.435 262 R N 2.948 123.451 120.500 0.006 0.000 2.239 262 R HA 0.069 4.408 4.340 -0.001 0.000 0.332 262 R C 0.794 177.090 176.300 -0.007 0.000 0.988 262 R CA -0.245 55.855 56.100 0.001 0.000 0.859 262 R CB 0.767 31.063 30.300 -0.006 0.000 1.148 262 R HN 0.669 nan 8.270 nan 0.000 0.482 263 E N 2.510 122.708 120.200 -0.003 0.000 2.132 263 E HA -0.423 3.927 4.350 -0.001 0.000 0.218 263 E C 1.287 177.871 176.600 -0.028 0.000 1.058 263 E CA 2.571 58.964 56.400 -0.012 0.000 0.882 263 E CB 0.203 29.899 29.700 -0.008 0.000 0.774 263 E HN 0.672 nan 8.360 nan 0.000 0.467 264 Q N 0.225 120.007 119.800 -0.030 0.000 2.344 264 Q HA -0.253 4.087 4.340 -0.001 0.000 0.212 264 Q C 1.398 177.365 176.000 -0.055 0.000 0.991 264 Q CA 2.043 57.820 55.803 -0.044 0.000 0.897 264 Q CB -0.177 28.536 28.738 -0.041 0.000 0.915 264 Q HN 0.389 nan 8.270 nan 0.000 0.438 265 D N 1.296 121.669 120.400 -0.046 0.000 2.113 265 D HA -0.042 4.598 4.640 -0.001 0.000 0.206 265 D C 0.817 177.085 176.300 -0.054 0.000 0.979 265 D CA 1.208 55.178 54.000 -0.050 0.000 0.862 265 D CB -0.169 40.605 40.800 -0.042 0.000 1.013 265 D HN 0.388 nan 8.370 nan 0.000 0.455 266 S N 0.745 116.418 115.700 -0.045 0.000 2.584 266 S HA 0.159 4.629 4.470 -0.001 0.000 0.270 266 S C 0.555 175.116 174.600 -0.066 0.000 1.346 266 S CA -0.613 57.560 58.200 -0.045 0.000 1.018 266 S CB 0.880 64.064 63.200 -0.026 0.000 0.899 266 S HN 0.093 nan 8.310 nan 0.000 0.542 267 I N 1.614 122.138 120.570 -0.076 0.000 2.471 267 I HA 0.144 4.314 4.170 -0.001 0.000 0.286 267 I C -0.089 175.965 176.117 -0.105 0.000 1.079 267 I CA -0.194 61.036 61.300 -0.117 0.000 1.398 267 I CB 0.288 38.203 38.000 -0.142 0.000 1.403 267 I HN 0.562 nan 8.210 nan 0.000 0.530 268 I N 7.849 128.337 120.570 -0.136 0.000 2.352 268 I HA 0.261 4.431 4.170 -0.001 0.000 0.290 268 I C -0.078 175.912 176.117 -0.210 0.000 1.036 268 I CA 0.063 61.279 61.300 -0.139 0.000 1.336 268 I CB 0.577 38.499 38.000 -0.129 0.000 1.407 268 I HN 0.439 nan 8.210 nan 0.000 0.497 269 M N 6.391 125.903 119.600 -0.147 0.000 2.204 269 M HA 0.276 4.756 4.480 -0.001 0.000 0.293 269 M C -0.645 175.600 176.300 -0.093 0.000 0.994 269 M CA -0.827 54.382 55.300 -0.151 0.000 0.925 269 M CB 2.030 34.584 32.600 -0.076 0.000 1.577 269 M HN 0.553 nan 8.290 nan 0.000 0.439 270 D N 2.407 122.748 120.400 -0.098 0.000 2.398 270 D HA 0.316 4.955 4.640 -0.001 0.000 0.247 270 D C 0.745 177.038 176.300 -0.011 0.000 1.227 270 D CA -0.319 53.660 54.000 -0.036 0.000 0.980 270 D CB 1.174 41.981 40.800 0.011 0.000 1.106 270 D HN 0.625 nan 8.370 nan 0.000 0.493 271 A N 0.832 123.646 122.820 -0.009 0.000 1.851 271 A HA -0.079 4.241 4.320 -0.001 0.000 0.216 271 A C 2.308 179.902 177.584 0.017 0.000 1.195 271 A CA 2.845 54.881 52.037 -0.002 0.000 0.622 271 A CB -1.351 17.639 19.000 -0.017 0.000 0.831 271 A HN 0.748 nan 8.150 nan 0.000 0.444 272 A N -1.248 121.585 122.820 0.022 0.000 1.948 272 A HA -0.137 4.183 4.320 -0.001 0.000 0.220 272 A C 2.292 179.898 177.584 0.037 0.000 1.177 272 A CA 2.483 54.538 52.037 0.031 0.000 0.636 272 A CB -1.280 17.743 19.000 0.038 0.000 0.815 272 A HN 0.469 nan 8.150 nan 0.000 0.449 273 T N -1.229 113.346 114.554 0.035 0.000 2.812 273 T HA -0.076 4.274 4.350 -0.001 0.000 0.264 273 T C 2.084 176.798 174.700 0.023 0.000 1.042 273 T CA 1.353 63.467 62.100 0.024 0.000 1.140 273 T CB -0.153 68.705 68.868 -0.016 0.000 0.870 273 T HN 0.505 nan 8.240 nan 0.000 0.445 274 R N 0.451 120.971 120.500 0.033 0.000 2.115 274 R HA 0.092 4.432 4.340 -0.001 0.000 0.230 274 R C 2.644 178.993 176.300 0.082 0.000 1.111 274 R CA 0.970 57.114 56.100 0.073 0.000 0.976 274 R CB 0.055 30.420 30.300 0.107 0.000 0.870 274 R HN 0.260 nan 8.270 nan 0.000 0.445 275 R N -0.243 120.292 120.500 0.059 0.000 2.055 275 R HA 0.002 4.342 4.340 -0.001 0.000 0.226 275 R C 1.866 178.194 176.300 0.046 0.000 1.135 275 R CA 1.325 57.457 56.100 0.053 0.000 0.959 275 R CB -0.176 30.147 30.300 0.038 0.000 0.854 275 R HN 0.181 nan 8.270 nan 0.000 0.431 276 N N 0.905 119.629 118.700 0.039 0.000 2.205 276 N HA -0.143 4.596 4.740 -0.001 0.000 0.186 276 N C 1.663 177.200 175.510 0.045 0.000 1.015 276 N CA 1.122 54.194 53.050 0.038 0.000 0.862 276 N CB -0.153 38.355 38.487 0.035 0.000 0.986 276 N HN 0.191 nan 8.380 nan 0.000 0.429 277 L N 0.631 121.878 121.223 0.041 0.000 2.376 277 L HA 0.028 4.367 4.340 -0.001 0.000 0.219 277 L C -0.162 176.734 176.870 0.044 0.000 1.133 277 L CA 0.234 55.098 54.840 0.040 0.000 0.816 277 L CB -0.480 41.582 42.059 0.006 0.000 0.933 277 L HN 0.139 nan 8.230 nan 0.000 0.449 278 E N 0.185 120.412 120.200 0.045 0.000 2.369 278 E HA -0.248 4.102 4.350 -0.001 0.000 0.165 278 E C 0.745 177.359 176.600 0.022 0.000 1.622 278 E CA 0.015 56.443 56.400 0.048 0.000 0.660 278 E CB -1.026 28.709 29.700 0.059 0.000 1.085 278 E HN 0.498 nan 8.360 nan 0.000 0.346 279 I N 0.086 120.655 120.570 -0.002 0.000 2.368 279 I HA -0.139 4.030 4.170 -0.001 0.000 0.238 279 I C 2.512 178.602 176.117 -0.046 0.000 1.076 279 I CA 1.746 62.989 61.300 -0.095 0.000 1.397 279 I CB -0.269 37.533 38.000 -0.329 0.000 1.141 279 I HN 0.467 nan 8.210 nan 0.000 0.430 280 T N -2.950 111.639 114.554 0.058 0.000 3.000 280 T HA 0.079 4.428 4.350 -0.001 0.000 0.248 280 T C 0.769 175.528 174.700 0.098 0.000 1.034 280 T CA -0.117 62.056 62.100 0.121 0.000 1.060 280 T CB 0.380 69.412 68.868 0.273 0.000 0.983 280 T HN 0.170 nan 8.240 nan 0.000 0.482 281 Q N 1.975 121.835 119.800 0.100 0.000 2.304 281 Q HA 0.429 4.769 4.340 -0.001 0.000 0.270 281 Q C -1.139 174.896 176.000 0.058 0.000 1.035 281 Q CA -0.888 54.957 55.803 0.071 0.000 0.781 281 Q CB 1.706 30.486 28.738 0.069 0.000 1.261 281 Q HN 0.498 nan 8.270 nan 0.000 0.444 282 N N 2.170 120.898 118.700 0.046 0.000 2.317 282 N HA 0.027 4.766 4.740 -0.001 0.000 0.245 282 N C 0.732 176.264 175.510 0.035 0.000 1.294 282 N CA -0.130 52.944 53.050 0.040 0.000 0.924 282 N CB 0.489 38.997 38.487 0.035 0.000 1.186 282 N HN 0.658 nan 8.380 nan 0.000 0.495 283 L N -1.422 119.819 121.223 0.030 0.000 2.141 283 L HA -0.071 4.268 4.340 -0.001 0.000 0.209 283 L C 2.400 179.283 176.870 0.021 0.000 1.094 283 L CA 1.470 56.325 54.840 0.025 0.000 0.763 283 L CB -0.773 41.299 42.059 0.021 0.000 0.908 283 L HN 0.800 nan 8.230 nan 0.000 0.437 284 A N -0.529 122.303 122.820 0.020 0.000 1.897 284 A HA 0.135 4.454 4.320 -0.001 0.000 0.215 284 A C 2.008 179.602 177.584 0.018 0.000 1.181 284 A CA 1.779 53.827 52.037 0.017 0.000 0.620 284 A CB -0.368 18.642 19.000 0.016 0.000 0.821 284 A HN 0.495 nan 8.150 nan 0.000 0.443 285 G N -3.227 105.586 108.800 0.021 0.000 3.468 285 G HA2 0.246 4.206 3.960 -0.001 0.000 0.219 285 G HA3 0.246 4.206 3.960 -0.001 0.000 0.219 285 G C 0.621 175.535 174.900 0.022 0.000 0.968 285 G CA 0.272 45.385 45.100 0.020 0.000 0.851 285 G HN 1.114 nan 8.290 nan 0.000 0.524 286 G N -0.108 108.706 108.800 0.023 0.000 2.547 286 G HA2 0.632 4.591 3.960 -0.001 0.000 0.291 286 G HA3 0.632 4.591 3.960 -0.001 0.000 0.291 286 G C 0.897 175.814 174.900 0.029 0.000 1.211 286 G CA 0.433 45.547 45.100 0.023 0.000 0.950 286 G HN 1.133 nan 8.290 nan 0.000 0.504 287 A N -0.359 122.478 122.820 0.028 0.000 2.337 287 A HA 0.308 4.628 4.320 -0.001 0.000 0.227 287 A C 0.888 178.488 177.584 0.028 0.000 1.259 287 A CA -0.055 52.001 52.037 0.032 0.000 0.870 287 A CB -0.202 18.817 19.000 0.030 0.000 0.927 287 A HN 0.531 nan 8.150 nan 0.000 0.497 288 E N 0.154 120.370 120.200 0.026 0.000 2.408 288 E HA 0.005 4.355 4.350 -0.001 0.000 0.259 288 E C -0.012 176.606 176.600 0.031 0.000 1.110 288 E CA -0.242 56.173 56.400 0.025 0.000 0.929 288 E CB 0.157 29.870 29.700 0.022 0.000 0.971 288 E HN 0.330 nan 8.360 nan 0.000 0.438 289 N N 0.091 118.812 118.700 0.034 0.000 2.716 289 N HA -0.190 4.550 4.740 -0.001 0.000 0.250 289 N C -1.178 174.364 175.510 0.053 0.000 1.033 289 N CA 1.357 54.433 53.050 0.043 0.000 0.727 289 N CB -0.596 37.914 38.487 0.038 0.000 0.950 289 N HN 0.475 nan 8.380 nan 0.000 0.541 290 T N -1.722 112.861 114.554 0.048 0.000 2.887 290 T HA 0.477 4.826 4.350 -0.001 0.000 0.292 290 T C 0.981 175.701 174.700 0.032 0.000 1.087 290 T CA -0.396 61.732 62.100 0.046 0.000 1.009 290 T CB 0.993 69.884 68.868 0.039 0.000 1.203 290 T HN 0.046 nan 8.240 nan 0.000 0.518 291 L N 2.976 124.207 121.223 0.012 0.000 2.083 291 L HA 0.212 4.552 4.340 -0.001 0.000 0.209 291 L C 2.582 179.451 176.870 -0.002 0.000 1.083 291 L CA 2.728 57.558 54.840 -0.016 0.000 0.752 291 L CB -1.166 40.859 42.059 -0.056 0.000 0.899 291 L HN 0.829 nan 8.230 nan 0.000 0.433 292 A N -0.721 122.100 122.820 0.001 0.000 1.851 292 A HA -0.283 4.037 4.320 -0.001 0.000 0.216 292 A C 2.543 180.135 177.584 0.014 0.000 1.195 292 A CA 2.518 54.561 52.037 0.009 0.000 0.622 292 A CB -1.452 17.559 19.000 0.018 0.000 0.831 292 A HN 0.662 nan 8.150 nan 0.000 0.444 293 S N -0.297 115.413 115.700 0.018 0.000 2.380 293 S HA -0.184 4.286 4.470 -0.001 0.000 0.229 293 S C 1.739 176.350 174.600 0.018 0.000 1.043 293 S CA 2.084 60.294 58.200 0.018 0.000 1.038 293 S CB -0.960 62.254 63.200 0.023 0.000 0.872 293 S HN 0.382 nan 8.310 nan 0.000 0.456 294 V N 0.978 120.907 119.914 0.025 0.000 2.591 294 V HA 0.128 4.247 4.120 -0.001 0.000 0.249 294 V C 2.434 178.548 176.094 0.033 0.000 1.053 294 V CA 1.351 63.670 62.300 0.031 0.000 1.068 294 V CB -0.623 31.227 31.823 0.044 0.000 0.689 294 V HN 0.450 nan 8.190 nan 0.000 0.462 295 L N -0.436 120.808 121.223 0.034 0.000 2.298 295 L HA 0.160 4.500 4.340 -0.001 0.000 0.209 295 L C 1.002 177.878 176.870 0.009 0.000 1.084 295 L CA 0.377 55.241 54.840 0.040 0.000 0.816 295 L CB 0.052 42.146 42.059 0.058 0.000 0.967 295 L HN 0.291 nan 8.230 nan 0.000 0.460 296 D N -0.287 120.113 120.400 -0.000 0.000 2.455 296 D HA 0.007 4.647 4.640 -0.001 0.000 0.234 296 D C -0.142 176.145 176.300 -0.022 0.000 1.224 296 D CA 0.087 54.076 54.000 -0.018 0.000 0.999 296 D CB 0.195 40.986 40.800 -0.014 0.000 1.072 296 D HN 0.049 nan 8.370 nan 0.000 0.514 297 C N 3.573 122.855 119.300 -0.030 0.000 2.557 297 C HA 0.225 4.685 4.460 -0.001 0.000 0.281 297 C C 0.720 175.684 174.990 -0.043 0.000 1.490 297 C CA -0.421 58.577 59.018 -0.033 0.000 1.771 297 C CB -1.609 26.110 27.740 -0.035 0.000 2.887 297 C HN 0.643 nan 8.230 nan 0.000 0.527 298 T N -1.419 113.104 114.554 -0.051 0.000 2.898 298 T HA 0.316 4.665 4.350 -0.001 0.000 0.301 298 T C 0.970 175.640 174.700 -0.051 0.000 1.049 298 T CA -0.087 61.975 62.100 -0.062 0.000 1.095 298 T CB 1.297 70.116 68.868 -0.082 0.000 0.976 298 T HN 0.405 nan 8.240 nan 0.000 0.539 299 V N -1.553 118.329 119.914 -0.052 0.000 3.621 299 V HA 0.343 4.463 4.120 -0.001 0.000 0.285 299 V C 0.700 176.769 176.094 -0.041 0.000 1.346 299 V CA 0.243 62.517 62.300 -0.042 0.000 1.104 299 V CB -1.180 30.619 31.823 -0.040 0.000 0.913 299 V HN 1.194 nan 8.190 nan 0.000 0.432 300 T N -3.700 110.825 114.554 -0.050 0.000 2.900 300 T HA 0.623 4.973 4.350 -0.001 0.000 0.295 300 T C -2.324 172.347 174.700 -0.048 0.000 1.044 300 T CA -1.642 60.430 62.100 -0.047 0.000 0.995 300 T CB 2.330 71.166 68.868 -0.054 0.000 1.072 300 T HN -0.045 nan 8.240 nan 0.000 0.473 301 P HA -0.106 nan 4.420 nan 0.000 0.216 301 P C 2.045 179.321 177.300 -0.041 0.000 1.153 301 P CA 1.371 64.450 63.100 -0.035 0.000 0.848 301 P CB -0.218 31.466 31.700 -0.027 0.000 0.787 302 M N -2.154 117.421 119.600 -0.042 0.000 2.202 302 M HA -0.045 4.435 4.480 -0.001 0.000 0.262 302 M C 2.068 178.326 176.300 -0.070 0.000 1.063 302 M CA 2.497 57.771 55.300 -0.043 0.000 1.097 302 M CB -1.872 30.706 32.600 -0.037 0.000 1.382 302 M HN -0.161 nan 8.290 nan 0.000 0.413 303 G N 0.079 108.826 108.800 -0.088 0.000 2.394 303 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.215 303 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.215 303 G C 1.560 176.375 174.900 -0.141 0.000 1.165 303 G CA 0.924 45.942 45.100 -0.136 0.000 0.784 303 G HN 0.535 nan 8.290 nan 0.000 0.535 304 S N 0.199 115.845 115.700 -0.091 0.000 2.353 304 S HA -0.143 4.326 4.470 -0.001 0.000 0.222 304 S C 2.511 177.074 174.600 -0.062 0.000 1.035 304 S CA 1.526 59.684 58.200 -0.070 0.000 1.025 304 S CB -0.259 62.916 63.200 -0.042 0.000 0.902 304 S HN 0.436 nan 8.310 nan 0.000 0.440 305 R N 0.164 120.636 120.500 -0.047 0.000 2.094 305 R HA -0.151 4.189 4.340 -0.001 0.000 0.239 305 R C 2.609 178.889 176.300 -0.034 0.000 1.137 305 R CA 2.007 58.095 56.100 -0.020 0.000 0.943 305 R CB -0.583 29.712 30.300 -0.009 0.000 0.850 305 R HN 0.535 nan 8.270 nan 0.000 0.433 306 M N 0.720 120.259 119.600 -0.101 0.000 2.108 306 M HA -0.184 4.296 4.480 -0.001 0.000 0.261 306 M C 2.141 178.244 176.300 -0.329 0.000 1.066 306 M CA 1.486 56.672 55.300 -0.190 0.000 1.107 306 M CB -0.137 32.282 32.600 -0.303 0.000 1.356 306 M HN 0.147 nan 8.290 nan 0.000 0.406 307 L N 0.638 121.667 121.223 -0.323 0.000 2.042 307 L HA -0.210 4.130 4.340 -0.001 0.000 0.210 307 L C 2.024 178.892 176.870 -0.004 0.000 1.076 307 L CA 2.002 56.694 54.840 -0.246 0.000 0.749 307 L CB -0.638 41.318 42.059 -0.171 0.000 0.893 307 L HN 0.277 nan 8.230 nan 0.000 0.432 308 K N -0.964 119.452 120.400 0.028 0.000 2.025 308 K HA -0.101 4.218 4.320 -0.001 0.000 0.207 308 K C 2.125 178.856 176.600 0.218 0.000 1.049 308 K CA 1.447 57.803 56.287 0.115 0.000 0.933 308 K CB -0.204 32.361 32.500 0.108 0.000 0.714 308 K HN 0.297 nan 8.250 nan 0.000 0.438 309 R N -0.274 120.350 120.500 0.208 0.000 2.127 309 R HA -0.162 4.177 4.340 -0.001 0.000 0.238 309 R C 2.003 178.526 176.300 0.373 0.000 1.134 309 R CA 1.453 57.715 56.100 0.270 0.000 0.975 309 R CB -0.233 30.210 30.300 0.239 0.000 0.865 309 R HN 0.293 nan 8.270 nan 0.000 0.447 310 W N 1.046 122.391 121.300 0.075 0.000 2.381 310 W HA -0.022 4.638 4.660 -0.001 0.000 0.301 310 W C 1.995 178.541 176.519 0.046 0.000 1.205 310 W CA 0.593 57.974 57.345 0.059 0.000 1.285 310 W CB -0.761 28.727 29.460 0.046 0.000 1.133 310 W HN 0.009 nan 8.180 nan 0.000 0.521 311 L N -0.886 120.491 121.223 0.257 0.000 2.079 311 L HA -0.238 4.102 4.340 -0.001 0.000 0.210 311 L C 2.183 179.038 176.870 -0.027 0.000 1.081 311 L CA 1.230 56.111 54.840 0.069 0.000 0.752 311 L CB -0.975 41.060 42.059 -0.040 0.000 0.896 311 L HN 0.100 nan 8.230 nan 0.000 0.433 312 H N -1.365 117.765 119.070 0.100 0.000 2.547 312 H HA 0.090 4.645 4.556 -0.001 0.000 0.266 312 H C 0.508 175.865 175.328 0.048 0.000 0.988 312 H CA 0.514 56.600 56.048 0.062 0.000 1.147 312 H CB 0.532 30.331 29.762 0.062 0.000 1.365 312 H HN 0.221 nan 8.280 nan 0.000 0.589 313 M N 1.380 121.064 119.600 0.141 0.000 3.402 313 M HA 0.234 4.714 4.480 -0.001 0.000 0.372 313 M C -2.593 173.714 176.300 0.011 0.000 1.610 313 M CA -1.820 53.523 55.300 0.070 0.000 0.650 313 M CB 1.236 33.879 32.600 0.071 0.000 1.421 313 M HN -0.205 nan 8.290 nan 0.000 0.493 314 P HA 0.278 nan 4.420 nan 0.000 0.271 314 P C -0.801 176.505 177.300 0.011 0.000 1.218 314 P CA -0.090 63.026 63.100 0.028 0.000 0.780 314 P CB 0.878 32.615 31.700 0.061 0.000 0.901 315 V N 0.244 120.178 119.914 0.033 0.000 2.914 315 V HA 0.529 4.648 4.120 -0.001 0.000 0.314 315 V C 1.004 177.151 176.094 0.088 0.000 1.084 315 V CA -0.872 61.430 62.300 0.003 0.000 0.963 315 V CB 2.489 34.269 31.823 -0.071 0.000 1.025 315 V HN 0.386 nan 8.190 nan 0.000 0.432 316 R N -0.351 120.162 120.500 0.022 0.000 2.290 316 R HA 0.171 4.511 4.340 -0.001 0.000 0.197 316 R C -0.009 176.285 176.300 -0.011 0.000 0.913 316 R CA 0.089 56.218 56.100 0.047 0.000 1.040 316 R CB 0.196 30.468 30.300 -0.046 0.000 0.992 316 R HN 0.893 nan 8.270 nan 0.000 0.500 317 D N 1.757 122.121 120.400 -0.060 0.000 2.429 317 D HA -0.047 4.593 4.640 -0.001 0.000 0.253 317 D C 1.156 177.356 176.300 -0.168 0.000 1.294 317 D CA 0.259 54.199 54.000 -0.100 0.000 1.063 317 D CB 0.828 41.575 40.800 -0.089 0.000 1.096 317 D HN 0.169 nan 8.370 nan 0.000 0.516 318 T N 0.799 115.208 114.554 -0.242 0.000 2.996 318 T HA -0.186 4.163 4.350 -0.001 0.000 0.271 318 T C 1.650 176.144 174.700 -0.343 0.000 1.126 318 T CA 0.831 62.641 62.100 -0.483 0.000 1.103 318 T CB -0.020 68.477 68.868 -0.618 0.000 0.870 318 T HN 0.342 nan 8.240 nan 0.000 0.528 319 R N 0.566 120.949 120.500 -0.195 0.000 2.062 319 R HA 0.119 4.459 4.340 -0.001 0.000 0.226 319 R C 2.570 178.808 176.300 -0.103 0.000 1.125 319 R CA 1.086 57.113 56.100 -0.123 0.000 0.966 319 R CB -0.809 29.440 30.300 -0.084 0.000 0.861 319 R HN 0.301 nan 8.270 nan 0.000 0.433 320 V N 2.045 121.892 119.914 -0.110 0.000 2.469 320 V HA -0.220 3.900 4.120 -0.001 0.000 0.251 320 V C 2.270 178.303 176.094 -0.101 0.000 1.064 320 V CA 1.625 63.865 62.300 -0.099 0.000 1.066 320 V CB -0.499 31.254 31.823 -0.115 0.000 0.667 320 V HN 0.254 nan 8.190 nan 0.000 0.461 321 L N -1.150 119.993 121.223 -0.132 0.000 2.034 321 L HA -0.098 4.241 4.340 -0.001 0.000 0.203 321 L C 2.408 179.276 176.870 -0.003 0.000 1.074 321 L CA 1.310 56.096 54.840 -0.089 0.000 0.748 321 L CB -0.560 41.391 42.059 -0.179 0.000 0.905 321 L HN 0.229 nan 8.230 nan 0.000 0.439 322 L N 0.037 121.244 121.223 -0.027 0.000 2.089 322 L HA -0.300 4.040 4.340 -0.001 0.000 0.213 322 L C 2.623 179.520 176.870 0.046 0.000 1.079 322 L CA 1.462 56.329 54.840 0.045 0.000 0.758 322 L CB -0.389 41.678 42.059 0.013 0.000 0.891 322 L HN 0.356 nan 8.230 nan 0.000 0.433 323 E N -0.005 120.205 120.200 0.017 0.000 2.070 323 E HA -0.265 4.084 4.350 -0.001 0.000 0.197 323 E C 2.335 178.972 176.600 0.061 0.000 1.004 323 E CA 1.406 57.824 56.400 0.029 0.000 0.805 323 E CB 0.039 29.744 29.700 0.008 0.000 0.744 323 E HN 0.340 nan 8.360 nan 0.000 0.451 324 R N -0.175 120.365 120.500 0.067 0.000 2.148 324 R HA -0.115 4.225 4.340 -0.001 0.000 0.227 324 R C 2.503 178.901 176.300 0.163 0.000 1.103 324 R CA 1.384 57.555 56.100 0.118 0.000 0.983 324 R CB -0.071 30.297 30.300 0.114 0.000 0.874 324 R HN 0.370 nan 8.270 nan 0.000 0.451 325 Q N 0.141 120.037 119.800 0.161 0.000 2.083 325 Q HA -0.164 4.176 4.340 -0.001 0.000 0.198 325 Q C 1.940 178.071 176.000 0.218 0.000 0.969 325 Q CA 1.148 57.083 55.803 0.220 0.000 0.838 325 Q CB 0.028 28.849 28.738 0.138 0.000 0.900 325 Q HN 0.372 nan 8.270 nan 0.000 0.436 326 Q N -0.264 119.619 119.800 0.139 0.000 2.297 326 Q HA -0.083 4.256 4.340 -0.001 0.000 0.204 326 Q C 1.817 177.883 176.000 0.109 0.000 0.962 326 Q CA 1.351 57.224 55.803 0.116 0.000 0.879 326 Q CB 0.270 29.055 28.738 0.077 0.000 0.947 326 Q HN 0.324 nan 8.270 nan 0.000 0.462 327 T N 0.462 115.080 114.554 0.107 0.000 2.698 327 T HA -0.084 4.266 4.350 -0.001 0.000 0.260 327 T C 1.729 176.480 174.700 0.086 0.000 1.044 327 T CA 0.882 63.033 62.100 0.086 0.000 1.149 327 T CB -0.201 68.720 68.868 0.089 0.000 0.864 327 T HN 0.195 nan 8.240 nan 0.000 0.419 328 I N 1.416 122.051 120.570 0.109 0.000 2.248 328 I HA -0.196 3.973 4.170 -0.001 0.000 0.248 328 I C 2.711 178.840 176.117 0.018 0.000 1.107 328 I CA 1.275 62.602 61.300 0.044 0.000 1.373 328 I CB -0.638 37.382 38.000 0.034 0.000 1.055 328 I HN 0.348 nan 8.210 nan 0.000 0.418 329 G N 0.265 109.143 108.800 0.129 0.000 2.511 329 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.216 329 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.216 329 G C 1.827 176.791 174.900 0.106 0.000 1.218 329 G CA 0.860 46.048 45.100 0.147 0.000 0.788 329 G HN 0.501 nan 8.290 nan 0.000 0.560 330 A N 0.202 123.084 122.820 0.102 0.000 1.940 330 A HA 0.112 4.432 4.320 -0.001 0.000 0.219 330 A C 2.349 180.024 177.584 0.152 0.000 1.176 330 A CA 1.244 53.349 52.037 0.112 0.000 0.631 330 A CB -0.364 18.681 19.000 0.075 0.000 0.814 330 A HN 0.358 nan 8.150 nan 0.000 0.446 331 L N -0.875 120.410 121.223 0.103 0.000 2.599 331 L HA -0.035 4.305 4.340 -0.001 0.000 0.230 331 L C 2.452 179.391 176.870 0.114 0.000 1.141 331 L CA 0.406 55.318 54.840 0.119 0.000 0.877 331 L CB -0.218 41.862 42.059 0.036 0.000 1.009 331 L HN 0.517 nan 8.230 nan 0.000 0.447 332 Q N 0.075 119.909 119.800 0.057 0.000 2.291 332 Q HA -0.199 4.141 4.340 -0.001 0.000 0.205 332 Q C 1.048 176.974 176.000 -0.124 0.000 0.970 332 Q CA 1.384 57.166 55.803 -0.035 0.000 0.876 332 Q CB 0.273 29.012 28.738 0.001 0.000 0.935 332 Q HN 0.532 nan 8.270 nan 0.000 0.455 333 D N -0.937 119.419 120.400 -0.072 0.000 2.216 333 D HA -0.058 4.581 4.640 -0.001 0.000 0.208 333 D C 0.904 177.024 176.300 -0.299 0.000 0.960 333 D CA 0.735 54.586 54.000 -0.249 0.000 0.861 333 D CB -0.190 40.411 40.800 -0.332 0.000 0.985 333 D HN 0.229 nan 8.370 nan 0.000 0.493 334 F N 0.942 120.831 119.950 -0.102 0.000 2.748 334 F HA 0.031 4.558 4.527 -0.001 0.000 0.299 334 F C 2.276 178.018 175.800 -0.098 0.000 1.154 334 F CA 0.399 58.348 58.000 -0.085 0.000 1.446 334 F CB -0.458 38.505 39.000 -0.060 0.000 1.112 334 F HN -0.168 nan 8.300 nan 0.000 0.584 335 T N 0.380 114.945 114.554 0.019 0.000 2.718 335 T HA -0.371 3.978 4.350 -0.001 0.000 0.266 335 T C 2.304 176.969 174.700 -0.059 0.000 1.033 335 T CA 1.597 63.667 62.100 -0.049 0.000 1.151 335 T CB -0.475 68.314 68.868 -0.133 0.000 0.853 335 T HN 0.406 nan 8.240 nan 0.000 0.466 336 A N 0.664 123.431 122.820 -0.088 0.000 1.859 336 A HA 0.071 4.391 4.320 -0.001 0.000 0.217 336 A C 2.276 179.836 177.584 -0.040 0.000 1.198 336 A CA 1.916 53.904 52.037 -0.081 0.000 0.629 336 A CB -0.970 17.967 19.000 -0.105 0.000 0.830 336 A HN 0.564 nan 8.150 nan 0.000 0.446 337 G N -2.117 106.675 108.800 -0.013 0.000 3.651 337 G HA2 0.387 4.347 3.960 -0.001 0.000 0.279 337 G HA3 0.387 4.347 3.960 -0.001 0.000 0.279 337 G C 0.732 175.647 174.900 0.025 0.000 1.024 337 G CA 0.334 45.437 45.100 0.004 0.000 0.813 337 G HN 0.312 nan 8.290 nan 0.000 0.518 338 L N -0.420 120.822 121.223 0.031 0.000 2.416 338 L HA 0.315 4.654 4.340 -0.001 0.000 0.216 338 L C 2.413 179.277 176.870 -0.010 0.000 1.098 338 L CA 1.297 56.149 54.840 0.021 0.000 0.840 338 L CB -0.010 42.072 42.059 0.040 0.000 0.981 338 L HN 0.205 nan 8.230 nan 0.000 0.462 339 Q N -0.331 119.460 119.800 -0.016 0.000 2.123 339 Q HA -0.008 4.331 4.340 -0.001 0.000 0.196 339 Q C -0.633 175.352 176.000 -0.026 0.000 0.958 339 Q CA 1.129 56.915 55.803 -0.027 0.000 0.841 339 Q CB -0.704 28.014 28.738 -0.033 0.000 0.915 339 Q HN 0.409 nan 8.270 nan 0.000 0.455 340 P HA -0.085 nan 4.420 nan 0.000 0.223 340 P C 1.360 178.648 177.300 -0.020 0.000 1.151 340 P CA 0.868 63.958 63.100 -0.017 0.000 0.787 340 P CB 0.098 31.790 31.700 -0.012 0.000 0.788 341 V N -0.365 119.534 119.914 -0.025 0.000 2.283 341 V HA -0.177 3.943 4.120 -0.001 0.000 0.243 341 V C 2.418 178.480 176.094 -0.052 0.000 1.039 341 V CA 1.456 63.732 62.300 -0.041 0.000 1.016 341 V CB -1.081 30.720 31.823 -0.037 0.000 0.650 341 V HN 0.051 nan 8.190 nan 0.000 0.449 342 L N -0.254 120.943 121.223 -0.045 0.000 2.131 342 L HA -0.175 4.165 4.340 -0.001 0.000 0.210 342 L C 2.714 179.556 176.870 -0.046 0.000 1.092 342 L CA 1.451 56.261 54.840 -0.050 0.000 0.759 342 L CB -0.406 41.624 42.059 -0.047 0.000 0.903 342 L HN 0.277 nan 8.230 nan 0.000 0.435 343 R N -0.415 120.063 120.500 -0.035 0.000 2.127 343 R HA -0.193 4.147 4.340 -0.001 0.000 0.238 343 R C 1.902 178.192 176.300 -0.017 0.000 1.134 343 R CA 1.219 57.304 56.100 -0.025 0.000 0.975 343 R CB 0.051 30.341 30.300 -0.016 0.000 0.865 343 R HN 0.385 nan 8.270 nan 0.000 0.447 344 Q N -0.146 119.639 119.800 -0.025 0.000 2.482 344 Q HA -0.015 4.325 4.340 -0.001 0.000 0.209 344 Q C 1.844 177.808 176.000 -0.060 0.000 0.961 344 Q CA 0.447 56.238 55.803 -0.020 0.000 0.945 344 Q CB 0.493 29.180 28.738 -0.085 0.000 1.012 344 Q HN 0.252 nan 8.270 nan 0.000 0.515 345 V N -0.220 119.650 119.914 -0.073 0.000 2.667 345 V HA -0.036 4.084 4.120 -0.001 0.000 0.252 345 V C 1.359 177.411 176.094 -0.070 0.000 1.065 345 V CA 1.213 63.457 62.300 -0.092 0.000 1.083 345 V CB -0.985 30.784 31.823 -0.090 0.000 0.692 345 V HN 0.540 nan 8.190 nan 0.000 0.468 346 G N 0.607 109.382 108.800 -0.042 0.000 2.641 346 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.254 346 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.254 346 G C -0.088 174.785 174.900 -0.045 0.000 1.315 346 G CA 0.229 45.310 45.100 -0.032 0.000 0.907 346 G HN 0.380 nan 8.290 nan 0.000 0.572 347 D N 0.557 120.933 120.400 -0.039 0.000 2.896 347 D HA 0.304 4.943 4.640 -0.001 0.000 0.240 347 D C 1.859 178.129 176.300 -0.049 0.000 1.193 347 D CA -0.352 53.624 54.000 -0.039 0.000 0.983 347 D CB 0.172 40.954 40.800 -0.029 0.000 1.074 347 D HN 0.397 nan 8.370 nan 0.000 0.496 348 L N 1.578 122.761 121.223 -0.067 0.000 2.042 348 L HA -0.114 4.226 4.340 -0.001 0.000 0.210 348 L C 2.015 178.847 176.870 -0.062 0.000 1.076 348 L CA 1.862 56.648 54.840 -0.090 0.000 0.749 348 L CB -0.438 41.544 42.059 -0.128 0.000 0.893 348 L HN 0.321 nan 8.230 nan 0.000 0.432 349 E N -0.656 119.521 120.200 -0.039 0.000 2.130 349 E HA -0.297 4.053 4.350 -0.001 0.000 0.196 349 E C 2.292 178.884 176.600 -0.013 0.000 0.998 349 E CA 1.556 57.947 56.400 -0.014 0.000 0.806 349 E CB -0.064 29.634 29.700 -0.002 0.000 0.738 349 E HN 0.522 nan 8.360 nan 0.000 0.459 350 R N -0.258 120.228 120.500 -0.023 0.000 2.127 350 R HA 0.097 4.437 4.340 -0.001 0.000 0.217 350 R C 2.524 178.802 176.300 -0.036 0.000 1.074 350 R CA 0.707 56.792 56.100 -0.025 0.000 0.991 350 R CB -0.020 30.267 30.300 -0.021 0.000 0.895 350 R HN 0.261 nan 8.270 nan 0.000 0.450 351 I N 0.730 121.277 120.570 -0.039 0.000 2.163 351 I HA -0.309 3.860 4.170 -0.001 0.000 0.243 351 I C 1.751 177.841 176.117 -0.045 0.000 1.085 351 I CA 1.105 62.381 61.300 -0.040 0.000 1.347 351 I CB -0.197 37.771 38.000 -0.054 0.000 1.044 351 I HN 0.121 nan 8.210 nan 0.000 0.408 352 L N 0.787 121.979 121.223 -0.052 0.000 2.079 352 L HA -0.201 4.139 4.340 -0.001 0.000 0.210 352 L C 2.651 179.480 176.870 -0.069 0.000 1.081 352 L CA 2.102 56.914 54.840 -0.047 0.000 0.752 352 L CB -1.226 40.816 42.059 -0.029 0.000 0.896 352 L HN 0.219 nan 8.230 nan 0.000 0.433 353 A N -1.003 121.759 122.820 -0.097 0.000 1.930 353 A HA -0.169 4.151 4.320 -0.001 0.000 0.217 353 A C 2.435 179.889 177.584 -0.217 0.000 1.175 353 A CA 1.198 53.092 52.037 -0.238 0.000 0.627 353 A CB -0.384 18.511 19.000 -0.175 0.000 0.815 353 A HN 0.359 nan 8.150 nan 0.000 0.443 354 R N -1.228 119.215 120.500 -0.095 0.000 2.148 354 R HA -0.018 4.321 4.340 -0.001 0.000 0.223 354 R C 1.967 178.292 176.300 0.042 0.000 1.088 354 R CA 1.035 57.114 56.100 -0.033 0.000 0.985 354 R CB -0.390 29.913 30.300 0.004 0.000 0.880 354 R HN 0.486 nan 8.270 nan 0.000 0.451 355 L N 0.753 122.001 121.223 0.041 0.000 2.027 355 L HA -0.044 4.295 4.340 -0.001 0.000 0.206 355 L C 2.252 179.188 176.870 0.110 0.000 1.074 355 L CA 1.835 56.752 54.840 0.129 0.000 0.745 355 L CB -0.639 41.426 42.059 0.011 0.000 0.898 355 L HN 0.075 nan 8.230 nan 0.000 0.433 356 A N -0.653 122.153 122.820 -0.022 0.000 1.883 356 A HA -0.169 4.150 4.320 -0.001 0.000 0.217 356 A C 1.959 179.513 177.584 -0.050 0.000 1.186 356 A CA 1.968 53.979 52.037 -0.042 0.000 0.624 356 A CB -0.878 18.026 19.000 -0.160 0.000 0.822 356 A HN 0.418 nan 8.150 nan 0.000 0.444 357 L N -1.003 120.152 121.223 -0.114 0.000 2.610 357 L HA 0.115 4.455 4.340 -0.001 0.000 0.232 357 L C 0.962 177.789 176.870 -0.072 0.000 1.149 357 L CA 0.776 55.565 54.840 -0.086 0.000 0.872 357 L CB -0.761 41.233 42.059 -0.108 0.000 0.992 357 L HN 0.410 nan 8.230 nan 0.000 0.447 358 R N -0.997 119.472 120.500 -0.052 0.000 3.525 358 R HA -0.193 4.147 4.340 -0.001 0.000 0.276 358 R C 0.655 176.838 176.300 -0.195 0.000 1.116 358 R CA 0.886 56.859 56.100 -0.211 0.000 0.745 358 R CB -2.742 27.363 30.300 -0.324 0.000 1.185 358 R HN 0.528 nan 8.270 nan 0.000 0.454 359 T N -4.022 110.521 114.554 -0.018 0.000 3.084 359 T HA 0.459 4.809 4.350 -0.001 0.000 0.270 359 T C 0.638 175.410 174.700 0.120 0.000 1.008 359 T CA 0.213 62.323 62.100 0.017 0.000 0.900 359 T CB 0.783 69.645 68.868 -0.009 0.000 1.084 359 T HN 0.423 nan 8.240 nan 0.000 0.538 360 A N 2.618 125.585 122.820 0.245 0.000 2.491 360 A HA 0.474 4.794 4.320 -0.001 0.000 0.261 360 A C 0.651 178.436 177.584 0.336 0.000 1.101 360 A CA -0.478 51.709 52.037 0.251 0.000 0.772 360 A CB 0.089 19.223 19.000 0.223 0.000 1.043 360 A HN 0.490 nan 8.150 nan 0.000 0.501 361 R N 3.021 123.647 120.500 0.210 0.000 2.583 361 R HA 0.204 4.544 4.340 -0.001 0.000 0.268 361 R C -1.712 174.719 176.300 0.219 0.000 1.101 361 R CA -1.668 54.552 56.100 0.199 0.000 1.180 361 R CB -0.082 30.271 30.300 0.088 0.000 1.128 361 R HN 0.397 nan 8.270 nan 0.000 0.568 362 P HA -0.186 nan 4.420 nan 0.000 0.215 362 P C 0.774 178.131 177.300 0.094 0.000 1.163 362 P CA 1.681 64.871 63.100 0.150 0.000 0.894 362 P CB 0.058 31.770 31.700 0.019 0.000 0.791 363 R N -0.959 119.572 120.500 0.051 0.000 2.237 363 R HA -0.084 4.255 4.340 -0.001 0.000 0.219 363 R C 1.791 178.105 176.300 0.023 0.000 1.080 363 R CA 0.862 56.976 56.100 0.024 0.000 0.995 363 R CB -0.569 29.736 30.300 0.008 0.000 0.875 363 R HN 0.281 nan 8.270 nan 0.000 0.462 364 D N 0.697 121.122 120.400 0.042 0.000 2.123 364 D HA -0.102 4.538 4.640 -0.001 0.000 0.200 364 D C 1.877 178.180 176.300 0.005 0.000 0.976 364 D CA 1.090 55.104 54.000 0.024 0.000 0.831 364 D CB 0.091 40.917 40.800 0.043 0.000 0.974 364 D HN 0.185 nan 8.370 nan 0.000 0.469 365 L N 0.721 121.952 121.223 0.013 0.000 2.109 365 L HA -0.057 4.283 4.340 -0.001 0.000 0.207 365 L C 2.565 179.442 176.870 0.012 0.000 1.086 365 L CA 0.752 55.578 54.840 -0.024 0.000 0.760 365 L CB -0.264 41.752 42.059 -0.072 0.000 0.910 365 L HN -0.064 nan 8.230 nan 0.000 0.437 366 A N 0.177 123.012 122.820 0.025 0.000 1.883 366 A HA -0.210 4.109 4.320 -0.001 0.000 0.217 366 A C 2.398 180.005 177.584 0.037 0.000 1.186 366 A CA 1.554 53.605 52.037 0.025 0.000 0.624 366 A CB -0.449 18.554 19.000 0.006 0.000 0.822 366 A HN 0.307 nan 8.150 nan 0.000 0.444 367 R N -1.446 119.067 120.500 0.021 0.000 2.148 367 R HA 0.028 4.368 4.340 -0.001 0.000 0.223 367 R C 2.261 178.568 176.300 0.011 0.000 1.088 367 R CA 1.091 57.212 56.100 0.035 0.000 0.985 367 R CB -0.330 29.974 30.300 0.007 0.000 0.880 367 R HN 0.681 nan 8.270 nan 0.000 0.451 368 M N 0.693 120.277 119.600 -0.026 0.000 2.117 368 M HA -0.214 4.266 4.480 -0.001 0.000 0.262 368 M C 2.431 178.677 176.300 -0.089 0.000 1.065 368 M CA 1.635 56.864 55.300 -0.118 0.000 1.114 368 M CB -0.157 32.408 32.600 -0.059 0.000 1.361 368 M HN -0.007 nan 8.290 nan 0.000 0.408 369 R N -1.137 119.450 120.500 0.145 0.000 2.073 369 R HA -0.259 4.081 4.340 -0.001 0.000 0.234 369 R C 2.154 178.586 176.300 0.220 0.000 1.134 369 R CA 2.250 58.534 56.100 0.307 0.000 0.952 369 R CB -0.687 29.726 30.300 0.188 0.000 0.850 369 R HN 0.475 nan 8.270 nan 0.000 0.433 370 H N 0.308 119.396 119.070 0.030 0.000 2.390 370 H HA -0.062 4.494 4.556 -0.001 0.000 0.298 370 H C 1.750 177.066 175.328 -0.021 0.000 1.106 370 H CA 2.019 58.072 56.048 0.008 0.000 1.297 370 H CB -0.256 29.498 29.762 -0.013 0.000 1.375 370 H HN 0.419 nan 8.280 nan 0.000 0.509 371 A N -0.220 122.530 122.820 -0.117 0.000 1.902 371 A HA -0.139 4.181 4.320 -0.001 0.000 0.217 371 A C 2.140 179.612 177.584 -0.187 0.000 1.181 371 A CA 1.521 53.416 52.037 -0.237 0.000 0.623 371 A CB -1.095 17.694 19.000 -0.351 0.000 0.818 371 A HN 0.417 nan 8.150 nan 0.000 0.443 372 F N -0.057 119.886 119.950 -0.012 0.000 2.202 372 F HA -0.181 4.346 4.527 -0.001 0.000 0.301 372 F C 2.529 178.320 175.800 -0.015 0.000 1.082 372 F CA 1.658 59.667 58.000 0.015 0.000 1.313 372 F CB -0.701 38.318 39.000 0.032 0.000 1.024 372 F HN 0.237 nan 8.300 nan 0.000 0.495 373 Q N -0.318 119.549 119.800 0.111 0.000 2.226 373 Q HA -0.162 4.177 4.340 -0.001 0.000 0.204 373 Q C 1.918 177.900 176.000 -0.030 0.000 0.975 373 Q CA 1.078 56.894 55.803 0.023 0.000 0.866 373 Q CB -0.199 28.521 28.738 -0.031 0.000 0.915 373 Q HN 0.294 nan 8.270 nan 0.000 0.440 374 Q N -0.638 119.119 119.800 -0.072 0.000 2.425 374 Q HA 0.072 4.412 4.340 -0.001 0.000 0.204 374 Q C 1.712 177.691 176.000 -0.035 0.000 0.933 374 Q CA 0.441 56.196 55.803 -0.080 0.000 0.939 374 Q CB 0.292 28.954 28.738 -0.125 0.000 1.044 374 Q HN 0.438 nan 8.270 nan 0.000 0.513 375 L N 0.717 121.943 121.223 0.006 0.000 2.044 375 L HA -0.076 4.264 4.340 -0.001 0.000 0.205 375 L C -0.539 176.326 176.870 -0.007 0.000 1.075 375 L CA 1.088 55.936 54.840 0.014 0.000 0.747 375 L CB -1.903 40.199 42.059 0.072 0.000 0.903 375 L HN 0.098 nan 8.230 nan 0.000 0.435 376 P HA -0.163 nan 4.420 nan 0.000 0.218 376 P C 1.286 178.574 177.300 -0.020 0.000 1.149 376 P CA 1.132 64.223 63.100 -0.015 0.000 0.817 376 P CB 0.142 31.838 31.700 -0.007 0.000 0.785 377 E N 0.282 120.470 120.200 -0.019 0.000 2.051 377 E HA -0.144 4.205 4.350 -0.001 0.000 0.192 377 E C 1.930 178.513 176.600 -0.029 0.000 0.991 377 E CA 1.279 57.666 56.400 -0.021 0.000 0.799 377 E CB -1.313 28.374 29.700 -0.023 0.000 0.748 377 E HN 0.102 nan 8.360 nan 0.000 0.449 378 L N 0.026 121.227 121.223 -0.036 0.000 2.046 378 L HA -0.140 4.200 4.340 -0.001 0.000 0.208 378 L C 2.845 179.679 176.870 -0.060 0.000 1.077 378 L CA 1.446 56.257 54.840 -0.048 0.000 0.747 378 L CB -0.390 41.641 42.059 -0.047 0.000 0.896 378 L HN 0.104 nan 8.230 nan 0.000 0.432 379 R N -0.238 120.231 120.500 -0.051 0.000 2.094 379 R HA -0.212 4.128 4.340 -0.001 0.000 0.239 379 R C 2.401 178.664 176.300 -0.061 0.000 1.137 379 R CA 1.671 57.736 56.100 -0.058 0.000 0.943 379 R CB -0.515 29.755 30.300 -0.050 0.000 0.850 379 R HN 0.395 nan 8.270 nan 0.000 0.433 380 A N 0.664 123.457 122.820 -0.045 0.000 1.933 380 A HA -0.220 4.100 4.320 -0.001 0.000 0.218 380 A C 2.025 179.581 177.584 -0.046 0.000 1.175 380 A CA 1.312 53.328 52.037 -0.036 0.000 0.628 380 A CB -0.385 18.604 19.000 -0.017 0.000 0.814 380 A HN 0.388 nan 8.150 nan 0.000 0.444 381 Q N -0.689 119.076 119.800 -0.058 0.000 2.083 381 Q HA 0.016 4.355 4.340 -0.001 0.000 0.198 381 Q C 1.781 177.626 176.000 -0.258 0.000 0.969 381 Q CA 1.146 56.895 55.803 -0.089 0.000 0.838 381 Q CB -0.202 28.509 28.738 -0.046 0.000 0.900 381 Q HN 0.677 nan 8.270 nan 0.000 0.436 382 L N 0.469 121.562 121.223 -0.217 0.000 2.610 382 L HA -0.050 4.290 4.340 -0.001 0.000 0.232 382 L C 2.124 178.874 176.870 -0.199 0.000 1.149 382 L CA 0.280 54.966 54.840 -0.256 0.000 0.872 382 L CB -0.192 41.766 42.059 -0.168 0.000 0.992 382 L HN 0.280 nan 8.230 nan 0.000 0.447 383 E N 0.484 120.596 120.200 -0.146 0.000 2.047 383 E HA -0.189 4.160 4.350 -0.001 0.000 0.191 383 E C 1.901 178.443 176.600 -0.097 0.000 0.987 383 E CA 1.879 58.221 56.400 -0.096 0.000 0.799 383 E CB 0.142 29.807 29.700 -0.059 0.000 0.752 383 E HN 0.401 nan 8.360 nan 0.000 0.449 384 T N 0.802 115.290 114.554 -0.111 0.000 2.665 384 T HA -0.141 4.208 4.350 -0.001 0.000 0.268 384 T C 1.034 175.681 174.700 -0.089 0.000 1.035 384 T CA 0.963 63.034 62.100 -0.048 0.000 1.151 384 T CB -0.398 68.518 68.868 0.079 0.000 0.862 384 T HN -0.011 nan 8.240 nan 0.000 0.438 385 V N 3.513 123.250 119.914 -0.295 0.000 2.479 385 V HA -0.014 4.105 4.120 -0.001 0.000 0.284 385 V C 0.512 176.558 176.094 -0.081 0.000 0.981 385 V CA -0.125 62.034 62.300 -0.235 0.000 1.139 385 V CB -0.282 31.333 31.823 -0.345 0.000 0.947 385 V HN 0.405 nan 8.190 nan 0.000 0.468 386 D N 4.453 124.850 120.400 -0.005 0.000 2.498 386 D HA 0.235 4.874 4.640 -0.001 0.000 0.229 386 D C 0.020 176.327 176.300 0.011 0.000 1.188 386 D CA 0.418 54.423 54.000 0.010 0.000 1.028 386 D CB 0.136 40.957 40.800 0.035 0.000 1.087 386 D HN 0.513 nan 8.370 nan 0.000 0.510 387 S N 1.797 117.494 115.700 -0.006 0.000 2.653 387 S HA 0.501 4.970 4.470 -0.001 0.000 0.268 387 S C 0.920 175.518 174.600 -0.003 0.000 1.153 387 S CA -0.157 58.045 58.200 0.004 0.000 1.036 387 S CB 0.608 63.814 63.200 0.010 0.000 1.103 387 S HN 0.331 nan 8.310 nan 0.000 0.466 388 A N 6.855 129.677 122.820 0.003 0.000 1.903 388 A HA -0.013 4.306 4.320 -0.001 0.000 0.219 388 A C -0.257 177.327 177.584 0.000 0.000 1.191 388 A CA 2.117 54.154 52.037 -0.000 0.000 0.638 388 A CB -1.493 17.509 19.000 0.003 0.000 0.823 388 A HN 0.710 nan 8.150 nan 0.000 0.451 389 P HA -0.019 nan 4.420 nan 0.000 0.222 389 P C 1.500 178.806 177.300 0.010 0.000 1.153 389 P CA 1.122 64.230 63.100 0.013 0.000 0.798 389 P CB -0.175 31.540 31.700 0.025 0.000 0.796 390 V N 0.657 120.571 119.914 0.000 0.000 2.427 390 V HA -0.193 3.926 4.120 -0.001 0.000 0.248 390 V C 2.815 178.889 176.094 -0.033 0.000 1.051 390 V CA 1.622 63.911 62.300 -0.018 0.000 1.048 390 V CB -1.069 30.729 31.823 -0.042 0.000 0.666 390 V HN 0.109 nan 8.190 nan 0.000 0.456 391 Q N -0.149 119.632 119.800 -0.032 0.000 2.123 391 Q HA -0.053 4.286 4.340 -0.001 0.000 0.199 391 Q C 2.501 178.485 176.000 -0.026 0.000 0.966 391 Q CA 1.622 57.403 55.803 -0.037 0.000 0.845 391 Q CB -0.594 28.124 28.738 -0.033 0.000 0.907 391 Q HN 0.630 nan 8.270 nan 0.000 0.439 392 A N 1.133 123.945 122.820 -0.014 0.000 1.917 392 A HA -0.176 4.144 4.320 -0.001 0.000 0.219 392 A C 2.181 179.762 177.584 -0.004 0.000 1.182 392 A CA 1.295 53.328 52.037 -0.006 0.000 0.633 392 A CB -0.782 18.220 19.000 0.004 0.000 0.819 392 A HN 0.331 nan 8.150 nan 0.000 0.448 393 L N -1.368 119.854 121.223 -0.002 0.000 2.291 393 L HA -0.094 4.246 4.340 -0.001 0.000 0.214 393 L C 2.694 179.554 176.870 -0.018 0.000 1.120 393 L CA 1.248 56.088 54.840 0.001 0.000 0.799 393 L CB -0.335 41.729 42.059 0.009 0.000 0.925 393 L HN 0.516 nan 8.230 nan 0.000 0.446 394 R N 0.465 120.944 120.500 -0.034 0.000 2.062 394 R HA -0.210 4.130 4.340 -0.001 0.000 0.229 394 R C 2.196 178.465 176.300 -0.052 0.000 1.128 394 R CA 1.569 57.639 56.100 -0.049 0.000 0.960 394 R CB -0.016 30.247 30.300 -0.061 0.000 0.855 394 R HN 0.168 nan 8.270 nan 0.000 0.432 395 E N 1.034 121.205 120.200 -0.047 0.000 2.038 395 E HA -0.237 4.112 4.350 -0.001 0.000 0.195 395 E C 1.819 178.384 176.600 -0.058 0.000 1.000 395 E CA 1.897 58.264 56.400 -0.055 0.000 0.803 395 E CB -0.078 29.598 29.700 -0.040 0.000 0.750 395 E HN 0.271 nan 8.360 nan 0.000 0.448 396 K N -0.377 120.006 120.400 -0.028 0.000 2.211 396 K HA -0.141 4.179 4.320 -0.001 0.000 0.204 396 K C 2.173 178.772 176.600 -0.001 0.000 1.047 396 K CA 1.428 57.712 56.287 -0.005 0.000 0.935 396 K CB -0.205 32.307 32.500 0.020 0.000 0.728 396 K HN 0.295 nan 8.250 nan 0.000 0.452 397 M N 0.043 119.632 119.600 -0.019 0.000 2.296 397 M HA -0.035 4.445 4.480 -0.001 0.000 0.265 397 M C 0.604 176.872 176.300 -0.052 0.000 1.064 397 M CA 1.432 56.728 55.300 -0.006 0.000 1.109 397 M CB -0.261 32.327 32.600 -0.019 0.000 1.396 397 M HN 0.293 nan 8.290 nan 0.000 0.430 398 G N 0.715 109.417 108.800 -0.163 0.000 2.894 398 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.247 398 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.247 398 G C -0.123 174.597 174.900 -0.300 0.000 1.442 398 G CA 0.292 45.161 45.100 -0.384 0.000 0.897 398 G HN 0.611 nan 8.290 nan 0.000 0.550 399 E N -1.661 118.299 120.200 -0.401 0.000 2.354 399 E HA 0.357 4.706 4.350 -0.001 0.000 0.203 399 E C 0.687 177.272 176.600 -0.025 0.000 0.841 399 E CA 0.084 56.394 56.400 -0.151 0.000 1.046 399 E CB 0.159 29.789 29.700 -0.117 0.000 1.040 399 E HN 0.867 nan 8.360 nan 0.000 0.504 400 F N -0.081 119.837 119.950 -0.053 0.000 3.004 400 F HA -0.284 4.242 4.527 -0.001 0.000 0.264 400 F C 0.935 176.565 175.800 -0.284 0.000 0.979 400 F CA 0.478 58.358 58.000 -0.201 0.000 0.896 400 F CB -1.888 36.980 39.000 -0.220 0.000 0.813 400 F HN 0.178 nan 8.300 nan 0.000 0.804 401 A N 0.236 123.021 122.820 -0.060 0.000 1.968 401 A HA -0.157 4.163 4.320 -0.001 0.000 0.217 401 A C 2.269 179.797 177.584 -0.094 0.000 1.169 401 A CA 1.416 53.413 52.037 -0.066 0.000 0.638 401 A CB -0.264 18.710 19.000 -0.044 0.000 0.812 401 A HN 0.573 nan 8.150 nan 0.000 0.446 402 E N 1.088 121.234 120.200 -0.090 0.000 2.077 402 E HA -0.201 4.149 4.350 -0.001 0.000 0.193 402 E C 1.886 178.416 176.600 -0.116 0.000 0.989 402 E CA 1.470 57.825 56.400 -0.075 0.000 0.800 402 E CB -0.864 28.810 29.700 -0.043 0.000 0.746 402 E HN 0.624 nan 8.360 nan 0.000 0.452 403 L N 0.330 121.421 121.223 -0.219 0.000 2.109 403 L HA 0.003 4.343 4.340 -0.001 0.000 0.207 403 L C 3.128 179.774 176.870 -0.373 0.000 1.086 403 L CA 1.177 55.822 54.840 -0.325 0.000 0.760 403 L CB -0.588 41.146 42.059 -0.542 0.000 0.910 403 L HN 0.097 nan 8.230 nan 0.000 0.437 404 R N 0.655 120.904 120.500 -0.419 0.000 2.096 404 R HA -0.258 4.082 4.340 -0.001 0.000 0.240 404 R C 1.964 178.216 176.300 -0.081 0.000 1.139 404 R CA 2.417 58.398 56.100 -0.197 0.000 0.952 404 R CB -0.242 30.018 30.300 -0.067 0.000 0.854 404 R HN 0.310 nan 8.270 nan 0.000 0.436 405 D N -0.060 120.295 120.400 -0.075 0.000 2.097 405 D HA -0.173 4.466 4.640 -0.001 0.000 0.197 405 D C 1.930 178.213 176.300 -0.028 0.000 0.984 405 D CA 0.970 54.952 54.000 -0.031 0.000 0.826 405 D CB -0.101 40.688 40.800 -0.018 0.000 0.973 405 D HN 0.188 nan 8.370 nan 0.000 0.460 406 L N 0.504 121.698 121.223 -0.048 0.000 1.990 406 L HA -0.154 4.186 4.340 -0.001 0.000 0.213 406 L C 2.038 178.845 176.870 -0.106 0.000 1.072 406 L CA 1.795 56.611 54.840 -0.040 0.000 0.755 406 L CB -0.934 41.097 42.059 -0.046 0.000 0.889 406 L HN 0.224 nan 8.230 nan 0.000 0.432 407 L N -0.955 120.203 121.223 -0.109 0.000 2.156 407 L HA -0.129 4.211 4.340 -0.001 0.000 0.208 407 L C 2.488 179.316 176.870 -0.071 0.000 1.095 407 L CA 1.114 55.890 54.840 -0.106 0.000 0.770 407 L CB -0.613 41.418 42.059 -0.046 0.000 0.914 407 L HN 0.350 nan 8.230 nan 0.000 0.439 408 E N 0.250 120.432 120.200 -0.031 0.000 2.077 408 E HA -0.197 4.153 4.350 -0.001 0.000 0.193 408 E C 2.361 178.952 176.600 -0.014 0.000 0.989 408 E CA 1.072 57.470 56.400 -0.004 0.000 0.800 408 E CB 0.005 29.714 29.700 0.016 0.000 0.746 408 E HN 0.384 nan 8.360 nan 0.000 0.452 409 R N 0.149 120.639 120.500 -0.017 0.000 2.090 409 R HA 0.017 4.356 4.340 -0.001 0.000 0.228 409 R C 2.184 178.441 176.300 -0.073 0.000 1.110 409 R CA 1.073 57.184 56.100 0.019 0.000 0.973 409 R CB -0.084 30.277 30.300 0.102 0.000 0.869 409 R HN 0.080 nan 8.270 nan 0.000 0.440 410 A N 0.372 123.007 122.820 -0.307 0.000 2.123 410 A HA 0.156 4.476 4.320 -0.001 0.000 0.214 410 A C 0.819 178.210 177.584 -0.321 0.000 1.152 410 A CA 0.575 52.175 52.037 -0.729 0.000 0.728 410 A CB 0.216 18.618 19.000 -0.996 0.000 0.814 410 A HN 0.114 nan 8.150 nan 0.000 0.464 411 I N 0.251 120.734 120.570 -0.145 0.000 2.722 411 I HA 0.320 4.489 4.170 -0.001 0.000 0.295 411 I C -0.236 175.872 176.117 -0.015 0.000 1.161 411 I CA -1.117 60.153 61.300 -0.050 0.000 1.032 411 I CB 2.180 40.166 38.000 -0.024 0.000 1.244 411 I HN 0.326 nan 8.210 nan 0.000 0.421 412 I N 0.565 121.136 120.570 0.003 0.000 3.378 412 I HA 0.228 4.397 4.170 -0.001 0.000 0.284 412 I C 1.025 177.144 176.117 0.003 0.000 1.157 412 I CA -0.214 61.091 61.300 0.008 0.000 1.193 412 I CB 0.250 38.258 38.000 0.013 0.000 1.461 412 I HN 0.544 nan 8.210 nan 0.000 0.674 413 D N 1.351 121.753 120.400 0.003 0.000 2.435 413 D HA -0.191 4.449 4.640 -0.001 0.000 0.206 413 D C 0.740 177.030 176.300 -0.017 0.000 1.055 413 D CA 2.630 56.627 54.000 -0.006 0.000 0.908 413 D CB -0.575 40.221 40.800 -0.006 0.000 1.151 413 D HN 0.856 nan 8.370 nan 0.000 0.479 414 T N 0.406 114.950 114.554 -0.017 0.000 2.977 414 T HA 0.477 4.827 4.350 -0.001 0.000 0.346 414 T C -2.395 172.297 174.700 -0.012 0.000 1.140 414 T CA -1.570 60.516 62.100 -0.022 0.000 1.040 414 T CB 2.107 70.958 68.868 -0.029 0.000 1.046 414 T HN -0.064 nan 8.240 nan 0.000 0.494 415 P HA 0.373 nan 4.420 nan 0.000 0.274 415 P C -2.472 174.821 177.300 -0.012 0.000 1.256 415 P CA -1.451 61.645 63.100 -0.006 0.000 0.795 415 P CB -0.108 31.593 31.700 0.002 0.000 1.038 416 P HA 0.019 nan 4.420 nan 0.000 0.274 416 P C 1.146 178.435 177.300 -0.019 0.000 1.260 416 P CA -0.234 62.855 63.100 -0.018 0.000 0.793 416 P CB 0.559 32.245 31.700 -0.024 0.000 1.048 417 V N -0.128 119.779 119.914 -0.013 0.000 2.332 417 V HA -0.176 3.944 4.120 -0.001 0.000 0.248 417 V C 1.337 177.423 176.094 -0.014 0.000 1.055 417 V CA 1.866 64.162 62.300 -0.008 0.000 1.038 417 V CB -0.874 30.948 31.823 -0.003 0.000 0.651 417 V HN 0.355 nan 8.190 nan 0.000 0.450 418 L N -1.715 119.490 121.223 -0.029 0.000 2.309 418 L HA 0.433 4.773 4.340 -0.001 0.000 0.261 418 L C 1.002 177.810 176.870 -0.103 0.000 1.021 418 L CA -0.413 54.398 54.840 -0.049 0.000 0.823 418 L CB 1.615 43.657 42.059 -0.029 0.000 1.366 418 L HN -0.047 nan 8.230 nan 0.000 0.423 419 V N -1.439 118.374 119.914 -0.168 0.000 2.591 419 V HA -0.079 4.040 4.120 -0.001 0.000 0.249 419 V C 2.361 178.375 176.094 -0.134 0.000 1.053 419 V CA 1.238 63.389 62.300 -0.249 0.000 1.068 419 V CB -0.850 30.712 31.823 -0.435 0.000 0.689 419 V HN 0.932 nan 8.190 nan 0.000 0.462 420 R N 1.480 121.929 120.500 -0.084 0.000 2.224 420 R HA -0.263 4.076 4.340 -0.001 0.000 0.255 420 R C 0.899 177.177 176.300 -0.037 0.000 1.130 420 R CA 2.696 58.769 56.100 -0.046 0.000 0.957 420 R CB -0.628 29.659 30.300 -0.021 0.000 0.907 420 R HN 0.651 nan 8.270 nan 0.000 0.446 421 D N 0.016 120.396 120.400 -0.033 0.000 3.058 421 D HA 0.216 4.856 4.640 -0.001 0.000 0.272 421 D C 0.644 176.929 176.300 -0.024 0.000 1.350 421 D CA 0.760 54.749 54.000 -0.019 0.000 0.863 421 D CB 0.271 41.069 40.800 -0.004 0.000 1.064 421 D HN 0.558 nan 8.370 nan 0.000 0.488 422 G N 1.025 109.802 108.800 -0.037 0.000 2.578 422 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.284 422 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.284 422 G C 0.959 175.842 174.900 -0.030 0.000 1.283 422 G CA 0.475 45.557 45.100 -0.031 0.000 0.944 422 G HN 1.019 nan 8.290 nan 0.000 0.558 423 G N -2.922 105.873 108.800 -0.007 0.000 2.153 423 G HA2 0.030 3.990 3.960 -0.001 0.000 0.252 423 G HA3 0.030 3.990 3.960 -0.001 0.000 0.252 423 G C 1.405 176.302 174.900 -0.006 0.000 0.994 423 G CA 1.817 46.916 45.100 -0.001 0.000 0.698 423 G HN 2.241 nan 8.290 nan 0.000 0.521 424 V N -0.125 119.781 119.914 -0.012 0.000 2.806 424 V HA 0.423 4.543 4.120 -0.001 0.000 0.239 424 V C 1.315 177.427 176.094 0.029 0.000 1.113 424 V CA 0.647 62.940 62.300 -0.012 0.000 1.137 424 V CB 0.074 31.850 31.823 -0.080 0.000 0.865 424 V HN 0.276 nan 8.190 nan 0.000 0.482 425 I N 2.843 123.446 120.570 0.056 0.000 2.452 425 I HA 0.358 4.527 4.170 -0.001 0.000 0.287 425 I C 0.726 176.891 176.117 0.079 0.000 1.079 425 I CA 0.439 61.787 61.300 0.080 0.000 1.387 425 I CB 0.269 38.358 38.000 0.149 0.000 1.404 425 I HN 0.350 nan 8.210 nan 0.000 0.522 426 A N 5.875 128.728 122.820 0.056 0.000 2.407 426 A HA 0.367 4.686 4.320 -0.001 0.000 0.248 426 A C 0.665 178.314 177.584 0.108 0.000 1.082 426 A CA -0.418 51.657 52.037 0.064 0.000 0.785 426 A CB 0.148 19.170 19.000 0.038 0.000 1.020 426 A HN 0.818 nan 8.150 nan 0.000 0.489 427 S N 1.178 116.930 115.700 0.086 0.000 2.531 427 S HA 0.529 4.998 4.470 -0.001 0.000 0.279 427 S C 1.111 175.765 174.600 0.090 0.000 1.305 427 S CA 0.065 58.318 58.200 0.088 0.000 1.058 427 S CB 0.961 64.199 63.200 0.062 0.000 0.899 427 S HN 2.409 nan 8.310 nan 0.000 0.493 428 G N 1.829 110.685 108.800 0.093 0.000 2.376 428 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.208 428 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.208 428 G C 0.553 175.521 174.900 0.113 0.000 1.032 428 G CA 0.260 45.410 45.100 0.084 0.000 0.641 428 G HN 0.779 nan 8.290 nan 0.000 0.503 429 Y N 2.478 122.796 120.300 0.029 0.000 2.097 429 Y HA 0.109 4.659 4.550 -0.001 0.000 0.282 429 Y C 1.110 177.029 175.900 0.033 0.000 1.152 429 Y CA 2.098 60.216 58.100 0.031 0.000 1.136 429 Y CB 0.117 38.601 38.460 0.039 0.000 0.975 429 Y HN 0.394 nan 8.280 nan 0.000 0.498 430 N N 0.154 118.827 118.700 -0.044 0.000 2.314 430 N HA 0.054 4.793 4.740 -0.001 0.000 0.294 430 N C 0.227 175.728 175.510 -0.016 0.000 1.029 430 N CA -0.035 52.942 53.050 -0.122 0.000 0.845 430 N CB 1.764 40.211 38.487 -0.066 0.000 1.321 430 N HN 0.446 nan 8.380 nan 0.000 0.481 431 E N 2.348 122.523 120.200 -0.042 0.000 2.107 431 E HA -0.159 4.190 4.350 -0.001 0.000 0.191 431 E C 1.181 177.762 176.600 -0.032 0.000 0.982 431 E CA 0.867 57.248 56.400 -0.032 0.000 0.809 431 E CB 0.193 29.863 29.700 -0.050 0.000 0.756 431 E HN 0.779 nan 8.360 nan 0.000 0.459 432 E N 0.334 120.524 120.200 -0.016 0.000 2.033 432 E HA -0.261 4.089 4.350 -0.001 0.000 0.199 432 E C 2.153 178.797 176.600 0.072 0.000 1.011 432 E CA 1.486 57.879 56.400 -0.012 0.000 0.815 432 E CB -0.222 29.540 29.700 0.104 0.000 0.755 432 E HN 0.252 nan 8.360 nan 0.000 0.451 433 L N 1.629 122.967 121.223 0.191 0.000 2.081 433 L HA -0.216 4.123 4.340 -0.001 0.000 0.212 433 L C 1.485 178.465 176.870 0.182 0.000 1.080 433 L CA 2.206 57.201 54.840 0.259 0.000 0.754 433 L CB -0.681 41.494 42.059 0.194 0.000 0.893 433 L HN 0.163 nan 8.230 nan 0.000 0.433 434 D N -0.321 120.134 120.400 0.092 0.000 2.097 434 D HA -0.185 4.455 4.640 -0.001 0.000 0.195 434 D C 2.111 178.427 176.300 0.027 0.000 0.989 434 D CA 1.631 55.665 54.000 0.056 0.000 0.827 434 D CB -0.053 40.761 40.800 0.024 0.000 0.966 434 D HN 0.504 nan 8.370 nan 0.000 0.456 435 E N -0.379 119.787 120.200 -0.056 0.000 2.031 435 E HA -0.164 4.185 4.350 -0.001 0.000 0.193 435 E C 2.177 178.716 176.600 -0.102 0.000 0.994 435 E CA 0.965 57.275 56.400 -0.151 0.000 0.800 435 E CB -0.262 29.250 29.700 -0.314 0.000 0.752 435 E HN 0.425 nan 8.360 nan 0.000 0.447 436 W N 0.831 122.135 121.300 0.006 0.000 2.321 436 W HA -0.208 4.452 4.660 -0.001 0.000 0.306 436 W C 2.590 179.114 176.519 0.007 0.000 1.217 436 W CA 0.764 58.112 57.345 0.005 0.000 1.257 436 W CB -0.183 29.282 29.460 0.008 0.000 1.145 436 W HN -0.006 nan 8.180 nan 0.000 0.509 437 R N -0.022 120.626 120.500 0.246 0.000 2.091 437 R HA -0.163 4.177 4.340 -0.001 0.000 0.238 437 R C 2.367 178.727 176.300 0.100 0.000 1.136 437 R CA 1.754 57.941 56.100 0.144 0.000 0.959 437 R CB -0.805 29.559 30.300 0.107 0.000 0.856 437 R HN 0.177 nan 8.270 nan 0.000 0.437 438 A N 0.547 123.411 122.820 0.074 0.000 1.969 438 A HA -0.098 4.222 4.320 -0.001 0.000 0.218 438 A C 2.081 179.698 177.584 0.055 0.000 1.169 438 A CA 1.034 53.097 52.037 0.043 0.000 0.635 438 A CB -0.411 18.596 19.000 0.011 0.000 0.810 438 A HN 0.199 nan 8.150 nan 0.000 0.445 439 L N -0.870 120.397 121.223 0.074 0.000 2.056 439 L HA -0.173 4.166 4.340 -0.001 0.000 0.207 439 L C 3.079 180.012 176.870 0.104 0.000 1.078 439 L CA 1.128 56.022 54.840 0.090 0.000 0.749 439 L CB -0.519 41.621 42.059 0.135 0.000 0.901 439 L HN 0.423 nan 8.230 nan 0.000 0.433 440 A N -0.312 122.581 122.820 0.122 0.000 1.897 440 A HA -0.216 4.103 4.320 -0.001 0.000 0.215 440 A C 1.867 179.495 177.584 0.072 0.000 1.181 440 A CA 1.914 54.006 52.037 0.091 0.000 0.620 440 A CB -0.535 18.518 19.000 0.089 0.000 0.821 440 A HN 0.326 nan 8.150 nan 0.000 0.443 441 D N -0.415 120.025 120.400 0.067 0.000 2.178 441 D HA -0.005 4.635 4.640 -0.001 0.000 0.202 441 D C 2.065 178.399 176.300 0.057 0.000 0.974 441 D CA 1.306 55.337 54.000 0.051 0.000 0.841 441 D CB -0.314 40.508 40.800 0.037 0.000 0.953 441 D HN 0.402 nan 8.370 nan 0.000 0.478 442 G N 0.552 109.398 108.800 0.077 0.000 2.459 442 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.217 442 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.217 442 G C 1.678 176.719 174.900 0.235 0.000 1.183 442 G CA 1.208 46.381 45.100 0.123 0.000 0.776 442 G HN 0.379 nan 8.290 nan 0.000 0.552 443 A N 0.108 123.035 122.820 0.178 0.000 1.898 443 A HA 0.009 4.329 4.320 -0.001 0.000 0.216 443 A C 2.529 180.223 177.584 0.184 0.000 1.181 443 A CA 2.442 54.597 52.037 0.197 0.000 0.620 443 A CB -1.007 18.018 19.000 0.041 0.000 0.819 443 A HN 0.308 nan 8.150 nan 0.000 0.442 444 T N 0.407 115.020 114.554 0.099 0.000 2.737 444 T HA -0.162 4.188 4.350 -0.001 0.000 0.269 444 T C 1.437 176.176 174.700 0.065 0.000 1.040 444 T CA 1.719 63.861 62.100 0.071 0.000 1.142 444 T CB -0.452 68.450 68.868 0.057 0.000 0.861 444 T HN 0.479 nan 8.240 nan 0.000 0.456 445 D N 0.260 120.694 120.400 0.056 0.000 2.078 445 D HA -0.051 4.588 4.640 -0.001 0.000 0.193 445 D C 1.899 178.180 176.300 -0.031 0.000 0.990 445 D CA 1.159 55.139 54.000 -0.033 0.000 0.827 445 D CB -0.542 40.173 40.800 -0.141 0.000 0.975 445 D HN 0.445 nan 8.370 nan 0.000 0.451 446 Y N 0.715 121.055 120.300 0.066 0.000 2.151 446 Y HA -0.137 4.413 4.550 -0.001 0.000 0.284 446 Y C 2.427 178.287 175.900 -0.068 0.000 1.166 446 Y CA 0.796 58.924 58.100 0.046 0.000 1.163 446 Y CB -0.453 38.151 38.460 0.240 0.000 0.974 446 Y HN -0.018 nan 8.280 nan 0.000 0.511 447 L N -0.413 120.864 121.223 0.090 0.000 2.141 447 L HA -0.196 4.144 4.340 -0.001 0.000 0.209 447 L C 2.188 179.054 176.870 -0.007 0.000 1.094 447 L CA 1.278 56.094 54.840 -0.040 0.000 0.763 447 L CB -0.454 41.530 42.059 -0.125 0.000 0.908 447 L HN 0.292 nan 8.230 nan 0.000 0.437 448 E N -0.140 120.067 120.200 0.012 0.000 2.072 448 E HA -0.214 4.136 4.350 -0.001 0.000 0.191 448 E C 2.314 178.908 176.600 -0.010 0.000 0.985 448 E CA 0.889 57.291 56.400 0.004 0.000 0.801 448 E CB 0.041 29.741 29.700 -0.000 0.000 0.750 448 E HN 0.284 nan 8.360 nan 0.000 0.452 449 R N 0.921 121.409 120.500 -0.019 0.000 2.080 449 R HA -0.118 4.222 4.340 -0.001 0.000 0.236 449 R C 2.377 178.670 176.300 -0.013 0.000 1.137 449 R CA 0.900 56.987 56.100 -0.022 0.000 0.943 449 R CB -0.776 29.505 30.300 -0.032 0.000 0.846 449 R HN 0.174 nan 8.270 nan 0.000 0.431 450 L N 0.681 121.891 121.223 -0.022 0.000 2.081 450 L HA -0.272 4.067 4.340 -0.001 0.000 0.212 450 L C 2.258 179.119 176.870 -0.015 0.000 1.080 450 L CA 1.753 56.570 54.840 -0.039 0.000 0.754 450 L CB -0.267 41.733 42.059 -0.098 0.000 0.893 450 L HN 0.339 nan 8.230 nan 0.000 0.433 451 E N -0.802 119.393 120.200 -0.009 0.000 2.038 451 E HA -0.233 4.116 4.350 -0.001 0.000 0.195 451 E C 2.095 178.699 176.600 0.007 0.000 1.000 451 E CA 2.073 58.476 56.400 0.004 0.000 0.803 451 E CB -0.019 29.685 29.700 0.006 0.000 0.750 451 E HN 0.407 nan 8.360 nan 0.000 0.448 452 V N 0.761 120.675 119.914 0.001 0.000 2.295 452 V HA -0.277 3.843 4.120 -0.001 0.000 0.246 452 V C 2.514 178.607 176.094 -0.000 0.000 1.049 452 V CA 2.177 64.477 62.300 -0.000 0.000 1.024 452 V CB -0.637 31.183 31.823 -0.006 0.000 0.648 452 V HN 0.262 nan 8.190 nan 0.000 0.447 453 R N -0.202 120.297 120.500 -0.002 0.000 2.133 453 R HA -0.217 4.122 4.340 -0.001 0.000 0.245 453 R C 2.411 178.712 176.300 0.002 0.000 1.137 453 R CA 2.097 58.195 56.100 -0.002 0.000 0.947 453 R CB -0.216 30.082 30.300 -0.004 0.000 0.865 453 R HN 0.516 nan 8.270 nan 0.000 0.437 454 E N -0.524 119.684 120.200 0.013 0.000 2.112 454 E HA -0.148 4.202 4.350 -0.001 0.000 0.190 454 E C 1.965 178.575 176.600 0.017 0.000 0.979 454 E CA 0.573 56.990 56.400 0.029 0.000 0.814 454 E CB -0.131 29.617 29.700 0.079 0.000 0.762 454 E HN 0.322 nan 8.360 nan 0.000 0.460 455 R N 1.386 121.895 120.500 0.016 0.000 2.070 455 R HA -0.156 4.183 4.340 -0.001 0.000 0.233 455 R C 2.294 178.592 176.300 -0.003 0.000 1.137 455 R CA 1.916 58.022 56.100 0.011 0.000 0.945 455 R CB -0.082 30.226 30.300 0.013 0.000 0.845 455 R HN 0.209 nan 8.270 nan 0.000 0.430 456 E N -0.124 120.073 120.200 -0.005 0.000 2.152 456 E HA -0.222 4.128 4.350 -0.001 0.000 0.192 456 E C 2.135 178.724 176.600 -0.017 0.000 0.983 456 E CA 0.734 57.129 56.400 -0.009 0.000 0.818 456 E CB -0.334 29.362 29.700 -0.007 0.000 0.758 456 E HN 0.262 nan 8.360 nan 0.000 0.467 457 R N 0.998 121.487 120.500 -0.020 0.000 2.075 457 R HA -0.103 4.236 4.340 -0.001 0.000 0.232 457 R C 2.292 178.563 176.300 -0.048 0.000 1.126 457 R CA 2.050 58.132 56.100 -0.031 0.000 0.963 457 R CB -0.284 29.997 30.300 -0.030 0.000 0.858 457 R HN 0.414 nan 8.270 nan 0.000 0.435 458 T N -4.171 110.350 114.554 -0.055 0.000 3.054 458 T HA 0.189 4.539 4.350 -0.001 0.000 0.259 458 T C 1.436 176.099 174.700 -0.061 0.000 1.092 458 T CA 0.748 62.800 62.100 -0.080 0.000 1.121 458 T CB 0.519 69.321 68.868 -0.109 0.000 0.912 458 T HN 0.433 nan 8.240 nan 0.000 0.489 459 G N 1.493 110.270 108.800 -0.039 0.000 2.199 459 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.254 459 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.254 459 G C 0.011 174.897 174.900 -0.023 0.000 0.982 459 G CA 0.095 45.179 45.100 -0.028 0.000 0.632 459 G HN 0.650 nan 8.290 nan 0.000 0.529 460 L N 2.232 123.437 121.223 -0.029 0.000 2.485 460 L HA 0.364 4.703 4.340 -0.001 0.000 0.279 460 L C 1.456 178.328 176.870 0.002 0.000 1.124 460 L CA 0.233 55.062 54.840 -0.018 0.000 0.888 460 L CB 0.653 42.695 42.059 -0.027 0.000 1.217 460 L HN 0.388 nan 8.230 nan 0.000 0.464 461 D N -0.842 119.562 120.400 0.007 0.000 2.350 461 D HA -0.170 4.470 4.640 -0.001 0.000 0.216 461 D C 1.572 177.886 176.300 0.023 0.000 0.968 461 D CA 1.038 55.046 54.000 0.013 0.000 0.894 461 D CB 0.016 40.824 40.800 0.013 0.000 0.909 461 D HN 0.609 nan 8.370 nan 0.000 0.520 462 T N -2.213 112.359 114.554 0.030 0.000 3.086 462 T HA 0.108 4.457 4.350 -0.001 0.000 0.250 462 T C 0.737 175.471 174.700 0.057 0.000 1.074 462 T CA -0.676 61.450 62.100 0.042 0.000 0.988 462 T CB -0.519 68.377 68.868 0.048 0.000 0.988 462 T HN 0.234 nan 8.240 nan 0.000 0.530 463 L N 1.776 123.032 121.223 0.055 0.000 2.490 463 L HA 0.325 4.665 4.340 -0.001 0.000 0.274 463 L C -0.461 176.444 176.870 0.059 0.000 1.201 463 L CA 0.200 55.084 54.840 0.073 0.000 0.869 463 L CB 0.268 42.369 42.059 0.070 0.000 1.123 463 L HN 0.175 nan 8.230 nan 0.000 0.484 464 K N 4.001 124.439 120.400 0.064 0.000 2.523 464 K HA 0.450 4.770 4.320 -0.001 0.000 0.257 464 K C -1.557 175.033 176.600 -0.016 0.000 0.932 464 K CA -0.897 55.407 56.287 0.028 0.000 0.812 464 K CB 2.492 35.013 32.500 0.035 0.000 1.326 464 K HN 0.309 nan 8.250 nan 0.000 0.433 465 V N 1.954 121.840 119.914 -0.048 0.000 2.407 465 V HA 0.500 4.620 4.120 -0.001 0.000 0.278 465 V C 0.522 176.476 176.094 -0.233 0.000 1.037 465 V CA -0.243 61.992 62.300 -0.107 0.000 0.900 465 V CB 1.100 32.926 31.823 0.005 0.000 0.983 465 V HN 0.970 nan 8.190 nan 0.000 0.459 466 G N 3.091 111.491 108.800 -0.666 0.000 3.140 466 G HA2 0.824 4.783 3.960 -0.001 0.000 0.271 466 G HA3 0.824 4.783 3.960 -0.001 0.000 0.271 466 G C -1.724 172.763 174.900 -0.688 0.000 1.370 466 G CA -0.591 44.026 45.100 -0.805 0.000 1.014 466 G HN 0.552 nan 8.290 nan 0.000 0.541 467 F N 0.675 120.367 119.950 -0.430 0.000 2.672 467 F HA 0.543 5.070 4.527 -0.001 0.000 0.311 467 F C -1.647 174.174 175.800 0.034 0.000 1.113 467 F CA -0.916 56.934 58.000 -0.251 0.000 0.996 467 F CB 1.918 40.556 39.000 -0.603 0.000 1.286 467 F HN 0.854 nan 8.300 nan 0.000 0.441 468 N N 2.928 120.997 118.700 -1.052 0.000 2.927 468 N HA 0.553 5.293 4.740 -0.001 0.000 0.248 468 N C -0.652 174.235 175.510 -1.040 0.000 1.443 468 N CA -0.380 52.093 53.050 -0.961 0.000 0.870 468 N CB 1.105 39.402 38.487 -0.317 0.000 1.444 468 N HN 0.644 nan 8.380 nan 0.000 0.519 469 A N -0.188 122.286 122.820 -0.577 0.000 2.067 469 A HA 0.039 4.359 4.320 -0.001 0.000 0.219 469 A C 1.516 178.976 177.584 -0.206 0.000 1.158 469 A CA 1.528 53.385 52.037 -0.300 0.000 0.661 469 A CB -0.816 18.100 19.000 -0.140 0.000 0.801 469 A HN 0.451 nan 8.150 nan 0.000 0.452 470 V N -0.969 118.818 119.914 -0.213 0.000 2.244 470 V HA -0.243 3.877 4.120 -0.001 0.000 0.244 470 V C 2.150 178.086 176.094 -0.264 0.000 1.042 470 V CA 2.414 64.588 62.300 -0.210 0.000 1.006 470 V CB -0.869 30.849 31.823 -0.175 0.000 0.641 470 V HN 0.739 nan 8.190 nan 0.000 0.446 471 H N -1.230 117.761 119.070 -0.132 0.000 2.705 471 H HA 0.455 5.010 4.556 -0.001 0.000 0.269 471 H C 1.239 176.584 175.328 0.029 0.000 0.998 471 H CA 0.520 56.533 56.048 -0.059 0.000 1.193 471 H CB 0.665 30.370 29.762 -0.096 0.000 1.485 471 H HN 0.590 nan 8.280 nan 0.000 0.521 472 G N 0.288 109.130 108.800 0.071 0.000 2.539 472 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.256 472 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.256 472 G C -0.570 174.551 174.900 0.369 0.000 1.233 472 G CA -0.251 44.987 45.100 0.229 0.000 0.936 472 G HN 0.279 nan 8.290 nan 0.000 0.571 473 Y N 0.882 121.448 120.300 0.443 0.000 2.480 473 Y HA 0.517 5.066 4.550 -0.001 0.000 0.338 473 Y C 0.881 176.936 175.900 0.258 0.000 1.220 473 Y CA 1.473 59.762 58.100 0.316 0.000 1.430 473 Y CB 0.775 39.341 38.460 0.177 0.000 1.311 473 Y HN 0.818 nan 8.280 nan 0.000 0.575 474 Y N -0.209 120.230 120.300 0.232 0.000 2.592 474 Y HA 0.656 5.206 4.550 -0.001 0.000 0.334 474 Y C -1.769 174.173 175.900 0.070 0.000 1.136 474 Y CA -1.789 56.365 58.100 0.090 0.000 1.042 474 Y CB 0.642 39.099 38.460 -0.006 0.000 1.325 474 Y HN 0.346 nan 8.280 nan 0.000 0.457 475 I N 3.270 123.941 120.570 0.168 0.000 2.385 475 I HA 0.347 4.517 4.170 -0.001 0.000 0.294 475 I C -0.574 175.733 176.117 0.316 0.000 0.988 475 I CA -0.735 60.624 61.300 0.099 0.000 1.265 475 I CB 1.876 39.819 38.000 -0.096 0.000 1.388 475 I HN 0.698 nan 8.210 nan 0.000 0.480 476 Q N 6.678 126.643 119.800 0.276 0.000 2.337 476 Q HA 0.386 4.726 4.340 -0.001 0.000 0.264 476 Q C -1.365 174.776 176.000 0.235 0.000 1.007 476 Q CA -0.729 55.263 55.803 0.314 0.000 0.727 476 Q CB 1.405 30.367 28.738 0.373 0.000 1.256 476 Q HN 0.473 nan 8.270 nan 0.000 0.467 477 I N 2.426 123.173 120.570 0.295 0.000 2.499 477 I HA 0.226 4.396 4.170 -0.001 0.000 0.296 477 I C 0.998 177.219 176.117 0.174 0.000 0.992 477 I CA -0.191 61.236 61.300 0.212 0.000 1.297 477 I CB 1.182 39.310 38.000 0.213 0.000 1.410 477 I HN 0.641 nan 8.210 nan 0.000 0.507 478 S N 5.577 121.347 115.700 0.117 0.000 2.600 478 S HA 0.342 4.812 4.470 -0.001 0.000 0.265 478 S C 0.300 174.959 174.600 0.099 0.000 1.325 478 S CA -0.659 57.596 58.200 0.091 0.000 1.002 478 S CB 1.143 64.384 63.200 0.070 0.000 0.921 478 S HN 0.657 nan 8.310 nan 0.000 0.554 479 R N -0.175 120.372 120.500 0.079 0.000 2.827 479 R HA 0.391 4.730 4.340 -0.001 0.000 0.269 479 R C 1.616 177.976 176.300 0.099 0.000 1.048 479 R CA 1.145 57.296 56.100 0.085 0.000 1.173 479 R CB -0.601 29.733 30.300 0.057 0.000 1.070 479 R HN 1.208 nan 8.270 nan 0.000 0.498 480 G N 1.128 110.006 108.800 0.129 0.000 2.990 480 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.225 480 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.225 480 G C 0.859 175.912 174.900 0.256 0.000 1.304 480 G CA 0.516 45.706 45.100 0.150 0.000 0.816 480 G HN 0.650 nan 8.290 nan 0.000 0.528 481 Q N 0.983 120.874 119.800 0.152 0.000 2.451 481 Q HA 0.160 4.500 4.340 -0.001 0.000 0.206 481 Q C 2.681 178.674 176.000 -0.011 0.000 0.947 481 Q CA 1.162 57.001 55.803 0.059 0.000 0.937 481 Q CB 0.060 28.815 28.738 0.029 0.000 1.025 481 Q HN 0.806 nan 8.270 nan 0.000 0.511 482 S N 0.534 116.299 115.700 0.109 0.000 2.423 482 S HA -0.186 4.284 4.470 -0.001 0.000 0.231 482 S C 1.828 176.486 174.600 0.096 0.000 1.014 482 S CA 1.130 59.410 58.200 0.132 0.000 0.965 482 S CB -0.564 62.746 63.200 0.183 0.000 0.785 482 S HN 0.585 nan 8.310 nan 0.000 0.495 483 H N 1.668 120.774 119.070 0.059 0.000 2.423 483 H HA 0.128 4.683 4.556 -0.001 0.000 0.297 483 H C 1.431 176.766 175.328 0.011 0.000 1.075 483 H CA 0.859 56.931 56.048 0.039 0.000 1.342 483 H CB -0.652 29.126 29.762 0.026 0.000 1.395 483 H HN 0.417 nan 8.280 nan 0.000 0.530 484 L N 1.865 122.712 121.223 -0.627 0.000 2.718 484 L HA 0.260 4.600 4.340 -0.001 0.000 0.242 484 L C 0.786 177.498 176.870 -0.263 0.000 1.203 484 L CA -0.246 54.345 54.840 -0.415 0.000 1.011 484 L CB -0.281 41.497 42.059 -0.468 0.000 1.250 484 L HN 0.225 nan 8.230 nan 0.000 0.437 485 A N 0.518 123.217 122.820 -0.202 0.000 2.409 485 A HA 0.449 4.768 4.320 -0.001 0.000 0.267 485 A C -1.951 175.431 177.584 -0.338 0.000 1.127 485 A CA -1.149 50.719 52.037 -0.282 0.000 0.795 485 A CB -0.273 18.588 19.000 -0.231 0.000 1.061 485 A HN 0.054 nan 8.150 nan 0.000 0.502 486 P HA -0.047 nan 4.420 nan 0.000 0.269 486 P C 1.132 178.251 177.300 -0.302 0.000 1.205 486 P CA 0.151 62.914 63.100 -0.561 0.000 0.780 486 P CB 0.242 31.305 31.700 -1.062 0.000 0.858 487 I N 0.331 120.794 120.570 -0.178 0.000 2.286 487 I HA -0.204 3.965 4.170 -0.001 0.000 0.248 487 I C 1.413 177.529 176.117 -0.002 0.000 1.115 487 I CA 1.836 63.097 61.300 -0.065 0.000 1.392 487 I CB -1.095 36.877 38.000 -0.048 0.000 1.065 487 I HN 0.259 nan 8.210 nan 0.000 0.418 488 N N -0.643 118.060 118.700 0.006 0.000 2.412 488 N HA -0.150 4.590 4.740 -0.001 0.000 0.184 488 N C 0.174 175.816 175.510 0.221 0.000 1.101 488 N CA 0.172 53.278 53.050 0.093 0.000 0.881 488 N CB -0.732 37.804 38.487 0.081 0.000 0.969 488 N HN 0.372 nan 8.380 nan 0.000 0.459 489 Y N 2.258 122.545 120.300 -0.022 0.000 2.783 489 Y HA 0.063 4.613 4.550 -0.001 0.000 0.359 489 Y C 0.968 176.964 175.900 0.160 0.000 1.220 489 Y CA -1.043 57.055 58.100 -0.003 0.000 1.649 489 Y CB -0.601 37.696 38.460 -0.272 0.000 1.273 489 Y HN 0.079 nan 8.280 nan 0.000 0.506 490 M N 5.136 124.892 119.600 0.261 0.000 2.307 490 M HA 0.094 4.573 4.480 -0.001 0.000 0.346 490 M C 0.430 176.877 176.300 0.244 0.000 1.552 490 M CA 0.230 55.654 55.300 0.208 0.000 1.116 490 M CB 0.158 32.832 32.600 0.125 0.000 1.889 490 M HN 0.558 nan 8.290 nan 0.000 0.460 491 R N 3.638 124.261 120.500 0.205 0.000 2.679 491 R HA 0.240 4.580 4.340 -0.001 0.000 0.269 491 R C 0.336 176.570 176.300 -0.111 0.000 1.076 491 R CA 0.175 56.239 56.100 -0.061 0.000 1.160 491 R CB 0.666 30.927 30.300 -0.064 0.000 1.054 491 R HN 0.839 nan 8.270 nan 0.000 0.507 492 R N 0.428 120.777 120.500 -0.252 0.000 2.729 492 R HA 0.058 4.398 4.340 -0.001 0.000 0.215 492 R C -0.331 175.822 176.300 -0.245 0.000 0.970 492 R CA 0.019 56.004 56.100 -0.191 0.000 1.196 492 R CB 0.807 30.962 30.300 -0.241 0.000 1.670 492 R HN 0.618 nan 8.270 nan 0.000 0.575 493 Q N 1.052 120.635 119.800 -0.362 0.000 2.487 493 Q HA 0.213 4.552 4.340 -0.001 0.000 0.234 493 Q C -1.768 174.058 176.000 -0.290 0.000 0.828 493 Q CA -0.066 55.544 55.803 -0.321 0.000 0.907 493 Q CB 1.917 30.349 28.738 -0.510 0.000 1.462 493 Q HN -0.105 nan 8.270 nan 0.000 0.442 494 T N 4.266 118.708 114.554 -0.187 0.000 2.845 494 T HA 0.560 4.910 4.350 -0.001 0.000 0.288 494 T C -0.111 174.522 174.700 -0.111 0.000 0.980 494 T CA -0.247 61.767 62.100 -0.145 0.000 1.071 494 T CB 0.547 69.359 68.868 -0.093 0.000 0.941 494 T HN 0.450 nan 8.240 nan 0.000 0.487 495 L N 1.865 123.032 121.223 -0.093 0.000 2.260 495 L HA 0.512 4.852 4.340 -0.001 0.000 0.265 495 L C 1.875 178.722 176.870 -0.038 0.000 1.015 495 L CA -1.067 53.733 54.840 -0.067 0.000 0.826 495 L CB 1.139 43.155 42.059 -0.072 0.000 1.373 495 L HN 0.580 nan 8.230 nan 0.000 0.450 496 K N 0.402 120.786 120.400 -0.027 0.000 2.074 496 K HA -0.192 4.128 4.320 -0.001 0.000 0.209 496 K C 0.876 177.473 176.600 -0.004 0.000 1.048 496 K CA 2.378 58.657 56.287 -0.014 0.000 0.926 496 K CB 0.021 32.515 32.500 -0.011 0.000 0.713 496 K HN 0.578 nan 8.250 nan 0.000 0.444 497 N N -1.512 117.187 118.700 -0.001 0.000 2.217 497 N HA 0.262 5.002 4.740 -0.001 0.000 0.239 497 N C -1.735 173.788 175.510 0.022 0.000 1.330 497 N CA -0.070 52.988 53.050 0.013 0.000 0.838 497 N CB 1.694 40.191 38.487 0.017 0.000 1.287 497 N HN 0.260 nan 8.380 nan 0.000 0.498 498 A N -0.139 122.686 122.820 0.007 0.000 2.566 498 A HA 0.733 5.053 4.320 -0.001 0.000 0.292 498 A C -1.457 176.112 177.584 -0.025 0.000 1.112 498 A CA -0.564 51.483 52.037 0.017 0.000 0.707 498 A CB 1.584 20.596 19.000 0.018 0.000 1.302 498 A HN 0.026 nan 8.150 nan 0.000 0.409 499 E N 0.695 120.888 120.200 -0.011 0.000 2.272 499 E HA 0.452 4.802 4.350 -0.001 0.000 0.269 499 E C -1.173 175.256 176.600 -0.285 0.000 0.877 499 E CA -0.534 55.763 56.400 -0.172 0.000 0.755 499 E CB 2.365 32.001 29.700 -0.107 0.000 1.192 499 E HN 0.603 nan 8.360 nan 0.000 0.422 500 R N 2.172 122.348 120.500 -0.540 0.000 2.562 500 R HA 0.564 4.903 4.340 -0.001 0.000 0.298 500 R C -0.805 175.132 176.300 -0.604 0.000 0.961 500 R CA -0.611 55.234 56.100 -0.425 0.000 0.881 500 R CB 1.363 31.334 30.300 -0.547 0.000 1.159 500 R HN 0.451 nan 8.270 nan 0.000 0.450 501 Y N 1.869 122.117 120.300 -0.087 0.000 2.633 501 Y HA 0.608 5.158 4.550 -0.001 0.000 0.339 501 Y C 0.295 176.127 175.900 -0.113 0.000 1.045 501 Y CA -1.274 56.748 58.100 -0.131 0.000 1.098 501 Y CB 1.773 40.082 38.460 -0.251 0.000 1.296 501 Y HN 0.455 nan 8.280 nan 0.000 0.494 502 I N 0.590 121.201 120.570 0.068 0.000 2.934 502 I HA 0.846 5.015 4.170 -0.001 0.000 0.306 502 I C -1.230 174.889 176.117 0.003 0.000 1.110 502 I CA -1.273 60.050 61.300 0.039 0.000 1.019 502 I CB 2.526 40.582 38.000 0.092 0.000 1.227 502 I HN 0.623 nan 8.210 nan 0.000 0.434 503 I N 0.244 120.813 120.570 -0.001 0.000 2.934 503 I HA 0.655 4.824 4.170 -0.001 0.000 0.306 503 I C -2.224 173.918 176.117 0.042 0.000 1.110 503 I CA -2.002 59.316 61.300 0.029 0.000 1.019 503 I CB 1.987 40.002 38.000 0.024 0.000 1.227 503 I HN 0.341 nan 8.210 nan 0.000 0.434 504 P HA -0.218 nan 4.420 nan 0.000 0.215 504 P C 1.265 178.593 177.300 0.047 0.000 1.157 504 P CA 1.604 64.734 63.100 0.050 0.000 0.868 504 P CB 0.201 31.929 31.700 0.046 0.000 0.788 505 E N -0.443 119.773 120.200 0.027 0.000 2.049 505 E HA -0.212 4.137 4.350 -0.001 0.000 0.198 505 E C 2.127 178.728 176.600 0.002 0.000 1.007 505 E CA 0.934 57.340 56.400 0.008 0.000 0.809 505 E CB -0.581 29.073 29.700 -0.075 0.000 0.749 505 E HN -0.052 nan 8.360 nan 0.000 0.450 506 L N 1.322 122.522 121.223 -0.038 0.000 1.997 506 L HA -0.238 4.102 4.340 -0.001 0.000 0.216 506 L C 2.335 179.233 176.870 0.048 0.000 1.074 506 L CA 2.030 56.850 54.840 -0.034 0.000 0.763 506 L CB -0.443 41.617 42.059 0.001 0.000 0.890 506 L HN 0.017 nan 8.230 nan 0.000 0.434 507 K N -0.421 120.030 120.400 0.086 0.000 2.147 507 K HA -0.187 4.132 4.320 -0.001 0.000 0.205 507 K C 2.062 178.722 176.600 0.100 0.000 1.049 507 K CA 1.335 57.689 56.287 0.112 0.000 0.936 507 K CB -0.273 32.289 32.500 0.103 0.000 0.722 507 K HN 0.531 nan 8.250 nan 0.000 0.446 508 E N -0.659 119.605 120.200 0.106 0.000 2.031 508 E HA -0.216 4.134 4.350 -0.001 0.000 0.193 508 E C 1.566 178.228 176.600 0.103 0.000 0.994 508 E CA 1.338 57.801 56.400 0.105 0.000 0.800 508 E CB -0.203 29.577 29.700 0.134 0.000 0.752 508 E HN 0.500 nan 8.360 nan 0.000 0.447 509 Y N 0.762 121.006 120.300 -0.095 0.000 2.373 509 Y HA -0.102 4.448 4.550 -0.001 0.000 0.293 509 Y C 2.513 178.314 175.900 -0.165 0.000 1.129 509 Y CA 1.084 59.097 58.100 -0.145 0.000 1.226 509 Y CB 0.094 38.437 38.460 -0.194 0.000 1.000 509 Y HN 0.242 nan 8.280 nan 0.000 0.549 510 E N 0.579 120.792 120.200 0.021 0.000 2.077 510 E HA -0.261 4.088 4.350 -0.001 0.000 0.193 510 E C 1.615 178.271 176.600 0.093 0.000 0.989 510 E CA 1.494 57.933 56.400 0.066 0.000 0.800 510 E CB -0.083 29.762 29.700 0.241 0.000 0.746 510 E HN 0.358 nan 8.360 nan 0.000 0.452 511 D N 0.579 121.020 120.400 0.067 0.000 2.116 511 D HA -0.169 4.470 4.640 -0.001 0.000 0.193 511 D C 1.868 178.171 176.300 0.005 0.000 0.998 511 D CA 1.070 55.094 54.000 0.039 0.000 0.836 511 D CB 0.004 40.819 40.800 0.024 0.000 0.951 511 D HN 0.162 nan 8.370 nan 0.000 0.449 512 K N 0.159 120.536 120.400 -0.038 0.000 2.001 512 K HA -0.138 4.181 4.320 -0.001 0.000 0.214 512 K C 2.240 178.829 176.600 -0.018 0.000 1.050 512 K CA 1.013 57.259 56.287 -0.068 0.000 0.934 512 K CB -0.401 31.978 32.500 -0.202 0.000 0.718 512 K HN 0.006 nan 8.250 nan 0.000 0.443 513 V N 1.559 121.465 119.914 -0.014 0.000 2.255 513 V HA -0.273 3.847 4.120 -0.001 0.000 0.247 513 V C 2.340 178.447 176.094 0.021 0.000 1.051 513 V CA 1.714 64.023 62.300 0.015 0.000 1.018 513 V CB -0.390 31.451 31.823 0.029 0.000 0.641 513 V HN 0.222 nan 8.190 nan 0.000 0.445 514 L N 0.310 121.556 121.223 0.038 0.000 2.027 514 L HA -0.155 4.184 4.340 -0.001 0.000 0.206 514 L C 2.821 179.683 176.870 -0.014 0.000 1.074 514 L CA 2.583 57.440 54.840 0.029 0.000 0.745 514 L CB -1.087 41.018 42.059 0.076 0.000 0.898 514 L HN 0.631 nan 8.230 nan 0.000 0.433 515 T N -4.957 109.584 114.554 -0.022 0.000 2.821 515 T HA -0.136 4.214 4.350 -0.001 0.000 0.267 515 T C 2.107 176.721 174.700 -0.144 0.000 1.046 515 T CA 1.371 63.428 62.100 -0.073 0.000 1.139 515 T CB -0.533 68.307 68.868 -0.046 0.000 0.871 515 T HN 0.157 nan 8.240 nan 0.000 0.454 516 S N 1.598 117.265 115.700 -0.056 0.000 2.344 516 S HA -0.076 4.394 4.470 -0.001 0.000 0.217 516 S C 2.113 176.657 174.600 -0.094 0.000 1.033 516 S CA 1.424 59.619 58.200 -0.008 0.000 1.017 516 S CB -0.356 62.927 63.200 0.137 0.000 0.941 516 S HN 0.571 nan 8.310 nan 0.000 0.430 517 K N 0.300 120.677 120.400 -0.038 0.000 2.034 517 K HA -0.152 4.168 4.320 -0.001 0.000 0.214 517 K C 2.248 178.785 176.600 -0.106 0.000 1.051 517 K CA 1.418 57.679 56.287 -0.043 0.000 0.931 517 K CB -0.737 31.749 32.500 -0.023 0.000 0.715 517 K HN 0.454 nan 8.250 nan 0.000 0.446 518 G N 1.167 109.891 108.800 -0.127 0.000 2.450 518 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.220 518 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.220 518 G C 1.329 176.083 174.900 -0.243 0.000 1.130 518 G CA 0.769 45.781 45.100 -0.146 0.000 0.760 518 G HN 0.226 nan 8.290 nan 0.000 0.557 519 K N 0.191 120.326 120.400 -0.441 0.000 2.167 519 K HA 0.180 4.500 4.320 -0.001 0.000 0.203 519 K C 2.911 179.137 176.600 -0.622 0.000 1.052 519 K CA 0.738 56.602 56.287 -0.705 0.000 0.956 519 K CB -0.031 31.599 32.500 -1.450 0.000 0.735 519 K HN 0.273 nan 8.250 nan 0.000 0.451 520 A N 1.253 123.801 122.820 -0.453 0.000 1.874 520 A HA -0.094 4.226 4.320 -0.001 0.000 0.214 520 A C 2.069 179.623 177.584 -0.049 0.000 1.189 520 A CA 0.834 52.800 52.037 -0.118 0.000 0.615 520 A CB -0.487 18.550 19.000 0.061 0.000 0.830 520 A HN 0.186 nan 8.150 nan 0.000 0.443 521 L N -0.429 120.752 121.223 -0.069 0.000 2.083 521 L HA -0.112 4.227 4.340 -0.001 0.000 0.209 521 L C 2.636 179.485 176.870 -0.035 0.000 1.083 521 L CA 1.639 56.456 54.840 -0.038 0.000 0.752 521 L CB -0.205 41.829 42.059 -0.043 0.000 0.899 521 L HN 0.360 nan 8.230 nan 0.000 0.433 522 A N -1.687 121.093 122.820 -0.066 0.000 2.167 522 A HA -0.015 4.305 4.320 -0.001 0.000 0.214 522 A C 2.031 179.608 177.584 -0.012 0.000 1.151 522 A CA 0.861 52.871 52.037 -0.045 0.000 0.735 522 A CB -0.339 18.617 19.000 -0.073 0.000 0.802 522 A HN 0.402 nan 8.150 nan 0.000 0.467 523 L N -0.890 120.331 121.223 -0.003 0.000 2.253 523 L HA 0.066 4.406 4.340 -0.001 0.000 0.205 523 L C 2.214 179.143 176.870 0.099 0.000 1.078 523 L CA 0.972 55.845 54.840 0.055 0.000 0.805 523 L CB -0.193 41.916 42.059 0.083 0.000 0.963 523 L HN 0.390 nan 8.230 nan 0.000 0.459 524 E N -0.071 120.181 120.200 0.088 0.000 2.086 524 E HA -0.320 4.029 4.350 -0.001 0.000 0.200 524 E C 1.973 178.659 176.600 0.143 0.000 1.012 524 E CA 1.655 58.123 56.400 0.112 0.000 0.812 524 E CB -0.106 29.629 29.700 0.059 0.000 0.743 524 E HN 0.435 nan 8.360 nan 0.000 0.453 525 K N 0.160 120.617 120.400 0.096 0.000 2.211 525 K HA -0.128 4.192 4.320 -0.001 0.000 0.203 525 K C 2.244 178.948 176.600 0.174 0.000 1.050 525 K CA 0.809 57.170 56.287 0.124 0.000 0.945 525 K CB 0.092 32.624 32.500 0.054 0.000 0.732 525 K HN 0.030 nan 8.250 nan 0.000 0.451 526 Q N 0.641 120.522 119.800 0.135 0.000 2.062 526 Q HA -0.001 4.338 4.340 -0.001 0.000 0.196 526 Q C 2.207 178.308 176.000 0.169 0.000 0.967 526 Q CA 1.121 57.000 55.803 0.127 0.000 0.832 526 Q CB -0.241 28.551 28.738 0.090 0.000 0.899 526 Q HN 0.309 nan 8.270 nan 0.000 0.442 527 L N -0.391 120.951 121.223 0.199 0.000 2.191 527 L HA -0.199 4.140 4.340 -0.001 0.000 0.212 527 L C 2.296 179.330 176.870 0.273 0.000 1.103 527 L CA 1.149 56.145 54.840 0.260 0.000 0.769 527 L CB -0.484 41.769 42.059 0.323 0.000 0.908 527 L HN 0.166 nan 8.230 nan 0.000 0.438 528 Y N 0.847 121.235 120.300 0.147 0.000 2.114 528 Y HA -0.179 4.371 4.550 -0.001 0.000 0.284 528 Y C 2.672 178.738 175.900 0.277 0.000 1.119 528 Y CA 1.406 59.603 58.100 0.161 0.000 1.108 528 Y CB -0.028 38.520 38.460 0.146 0.000 0.995 528 Y HN 0.040 nan 8.280 nan 0.000 0.491 529 E N 0.521 120.915 120.200 0.323 0.000 2.219 529 E HA -0.303 4.047 4.350 -0.001 0.000 0.198 529 E C 2.036 178.756 176.600 0.201 0.000 0.998 529 E CA 1.568 58.094 56.400 0.210 0.000 0.818 529 E CB -0.231 29.528 29.700 0.097 0.000 0.741 529 E HN 0.707 nan 8.360 nan 0.000 0.477 530 E N 0.896 121.192 120.200 0.160 0.000 2.051 530 E HA -0.189 4.160 4.350 -0.001 0.000 0.192 530 E C 2.326 178.979 176.600 0.087 0.000 0.991 530 E CA 0.828 57.302 56.400 0.122 0.000 0.799 530 E CB -0.146 29.635 29.700 0.135 0.000 0.748 530 E HN 0.184 nan 8.360 nan 0.000 0.449 531 L N -0.058 121.175 121.223 0.016 0.000 2.064 531 L HA -0.247 4.092 4.340 -0.001 0.000 0.216 531 L C 2.513 179.275 176.870 -0.179 0.000 1.077 531 L CA 1.579 56.329 54.840 -0.150 0.000 0.766 531 L CB -0.646 41.185 42.059 -0.379 0.000 0.890 531 L HN 0.221 nan 8.230 nan 0.000 0.435 532 F N 0.105 119.954 119.950 -0.167 0.000 2.171 532 F HA -0.241 4.286 4.527 -0.001 0.000 0.300 532 F C 2.403 178.152 175.800 -0.086 0.000 1.090 532 F CA 1.410 59.333 58.000 -0.130 0.000 1.293 532 F CB -0.412 38.512 39.000 -0.126 0.000 1.013 532 F HN 0.168 nan 8.300 nan 0.000 0.486 533 D N 0.051 120.524 120.400 0.121 0.000 2.269 533 D HA -0.067 4.573 4.640 -0.001 0.000 0.208 533 D C 2.307 178.603 176.300 -0.007 0.000 0.963 533 D CA 0.884 54.912 54.000 0.048 0.000 0.864 533 D CB -0.157 40.671 40.800 0.046 0.000 0.936 533 D HN 0.317 nan 8.370 nan 0.000 0.505 534 L N -0.135 121.078 121.223 -0.016 0.000 2.162 534 L HA -0.080 4.260 4.340 -0.001 0.000 0.205 534 L C 2.038 178.854 176.870 -0.091 0.000 1.086 534 L CA 0.384 55.198 54.840 -0.043 0.000 0.778 534 L CB 0.021 42.073 42.059 -0.012 0.000 0.928 534 L HN -0.007 nan 8.230 nan 0.000 0.446 535 L N -0.912 120.255 121.223 -0.095 0.000 2.168 535 L HA -0.032 4.308 4.340 -0.001 0.000 0.203 535 L C 2.191 179.005 176.870 -0.093 0.000 1.078 535 L CA 1.296 56.084 54.840 -0.087 0.000 0.780 535 L CB -0.589 41.389 42.059 -0.136 0.000 0.939 535 L HN 0.088 nan 8.230 nan 0.000 0.451 536 L N -0.079 121.105 121.223 -0.065 0.000 2.261 536 L HA -0.182 4.157 4.340 -0.001 0.000 0.216 536 L C -0.299 176.532 176.870 -0.066 0.000 1.114 536 L CA 0.947 55.770 54.840 -0.028 0.000 0.777 536 L CB -1.333 40.742 42.059 0.028 0.000 0.910 536 L HN 0.265 nan 8.230 nan 0.000 0.440 537 P HA -0.154 nan 4.420 nan 0.000 0.218 537 P C 1.176 178.374 177.300 -0.170 0.000 1.148 537 P CA 1.317 64.293 63.100 -0.207 0.000 0.822 537 P CB -0.052 31.438 31.700 -0.349 0.000 0.784 538 H N -1.795 117.273 119.070 -0.003 0.000 2.548 538 H HA 0.099 4.655 4.556 -0.001 0.000 0.268 538 H C 1.878 177.198 175.328 -0.013 0.000 0.975 538 H CA 0.093 56.138 56.048 -0.004 0.000 1.195 538 H CB -0.759 28.959 29.762 -0.074 0.000 1.397 538 H HN 0.033 nan 8.280 nan 0.000 0.572 539 L N 1.629 122.896 121.223 0.073 0.000 2.082 539 L HA -0.291 4.048 4.340 -0.001 0.000 0.223 539 L C 2.257 179.181 176.870 0.091 0.000 1.086 539 L CA 1.774 56.649 54.840 0.059 0.000 0.793 539 L CB -0.284 41.813 42.059 0.063 0.000 0.896 539 L HN 0.129 nan 8.230 nan 0.000 0.441 540 E N -0.506 119.762 120.200 0.113 0.000 2.110 540 E HA -0.379 3.971 4.350 -0.001 0.000 0.225 540 E C 2.053 178.744 176.600 0.152 0.000 1.063 540 E CA 2.189 58.668 56.400 0.132 0.000 0.906 540 E CB -0.756 29.025 29.700 0.135 0.000 0.795 540 E HN 0.686 nan 8.360 nan 0.000 0.479 541 A N 0.512 123.452 122.820 0.199 0.000 1.929 541 A HA -0.063 4.256 4.320 -0.001 0.000 0.216 541 A C 2.503 180.279 177.584 0.321 0.000 1.176 541 A CA 0.935 53.151 52.037 0.298 0.000 0.628 541 A CB -0.627 18.646 19.000 0.456 0.000 0.816 541 A HN 0.210 nan 8.150 nan 0.000 0.444 542 L N -0.465 120.819 121.223 0.101 0.000 2.043 542 L HA -0.308 4.032 4.340 -0.001 0.000 0.212 542 L C 2.910 179.819 176.870 0.065 0.000 1.075 542 L CA 1.737 56.542 54.840 -0.058 0.000 0.752 542 L CB -0.510 41.450 42.059 -0.166 0.000 0.891 542 L HN 0.503 nan 8.230 nan 0.000 0.432 543 Q N -0.722 119.129 119.800 0.085 0.000 2.119 543 Q HA -0.220 4.120 4.340 -0.001 0.000 0.201 543 Q C 2.184 178.246 176.000 0.103 0.000 0.972 543 Q CA 1.230 57.086 55.803 0.088 0.000 0.847 543 Q CB -0.088 28.712 28.738 0.103 0.000 0.903 543 Q HN 0.611 nan 8.270 nan 0.000 0.433 544 Q N -0.268 119.611 119.800 0.131 0.000 2.297 544 Q HA -0.071 4.268 4.340 -0.001 0.000 0.204 544 Q C 2.088 178.165 176.000 0.127 0.000 0.962 544 Q CA 0.878 56.755 55.803 0.123 0.000 0.879 544 Q CB 0.036 28.849 28.738 0.124 0.000 0.947 544 Q HN 0.187 nan 8.270 nan 0.000 0.462 545 S N 0.843 116.650 115.700 0.178 0.000 2.345 545 S HA -0.078 4.391 4.470 -0.001 0.000 0.219 545 S C 2.022 176.676 174.600 0.090 0.000 1.031 545 S CA 1.041 59.349 58.200 0.179 0.000 0.984 545 S CB -0.059 63.366 63.200 0.374 0.000 0.874 545 S HN 0.420 nan 8.310 nan 0.000 0.451 546 A N 0.283 123.141 122.820 0.063 0.000 2.121 546 A HA 0.060 4.380 4.320 -0.001 0.000 0.218 546 A C 2.306 179.905 177.584 0.025 0.000 1.154 546 A CA 1.724 53.771 52.037 0.016 0.000 0.679 546 A CB -0.944 18.053 19.000 -0.005 0.000 0.795 546 A HN 0.577 nan 8.150 nan 0.000 0.458 547 S N -0.358 115.373 115.700 0.052 0.000 2.362 547 S HA 0.059 4.529 4.470 -0.001 0.000 0.221 547 S C 2.210 176.842 174.600 0.052 0.000 1.032 547 S CA 1.305 59.540 58.200 0.059 0.000 0.973 547 S CB -0.409 62.840 63.200 0.082 0.000 0.849 547 S HN 0.759 nan 8.310 nan 0.000 0.465 548 A N 1.307 124.160 122.820 0.055 0.000 1.933 548 A HA 0.068 4.387 4.320 -0.001 0.000 0.218 548 A C 2.183 179.777 177.584 0.017 0.000 1.175 548 A CA 1.341 53.404 52.037 0.043 0.000 0.628 548 A CB -0.764 18.261 19.000 0.041 0.000 0.814 548 A HN 0.559 nan 8.150 nan 0.000 0.444 549 L N -0.763 120.464 121.223 0.006 0.000 2.005 549 L HA -0.167 4.173 4.340 -0.001 0.000 0.207 549 L C 3.118 179.964 176.870 -0.039 0.000 1.072 549 L CA 1.190 56.018 54.840 -0.020 0.000 0.744 549 L CB -0.563 41.480 42.059 -0.027 0.000 0.895 549 L HN 0.398 nan 8.230 nan 0.000 0.433 550 A N -0.400 122.396 122.820 -0.041 0.000 1.948 550 A HA -0.309 4.011 4.320 -0.001 0.000 0.220 550 A C 2.242 179.757 177.584 -0.116 0.000 1.177 550 A CA 2.215 54.208 52.037 -0.073 0.000 0.636 550 A CB -0.614 18.351 19.000 -0.059 0.000 0.815 550 A HN 0.527 nan 8.150 nan 0.000 0.449 551 E N -0.886 119.271 120.200 -0.071 0.000 2.106 551 E HA -0.142 4.208 4.350 -0.001 0.000 0.192 551 E C 1.777 178.332 176.600 -0.075 0.000 0.984 551 E CA 0.833 57.187 56.400 -0.077 0.000 0.806 551 E CB -0.137 29.604 29.700 0.069 0.000 0.750 551 E HN 0.401 nan 8.360 nan 0.000 0.458 552 L N 1.619 122.815 121.223 -0.045 0.000 1.989 552 L HA -0.202 4.137 4.340 -0.001 0.000 0.211 552 L C 2.172 179.000 176.870 -0.070 0.000 1.071 552 L CA 2.018 56.831 54.840 -0.044 0.000 0.749 552 L CB -0.877 41.158 42.059 -0.040 0.000 0.890 552 L HN 0.237 nan 8.230 nan 0.000 0.431 553 D N -0.670 119.679 120.400 -0.085 0.000 2.154 553 D HA -0.195 4.444 4.640 -0.001 0.000 0.190 553 D C 2.193 178.418 176.300 -0.125 0.000 1.003 553 D CA 1.754 55.696 54.000 -0.096 0.000 0.849 553 D CB -0.080 40.659 40.800 -0.101 0.000 0.942 553 D HN 0.104 nan 8.370 nan 0.000 0.446 554 V N 0.413 120.209 119.914 -0.197 0.000 2.261 554 V HA -0.223 3.897 4.120 -0.001 0.000 0.246 554 V C 2.829 178.822 176.094 -0.168 0.000 1.047 554 V CA 1.462 63.596 62.300 -0.276 0.000 1.015 554 V CB -0.543 30.913 31.823 -0.612 0.000 0.642 554 V HN 0.262 nan 8.190 nan 0.000 0.446 555 L N -0.471 120.687 121.223 -0.109 0.000 1.994 555 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 555 L C 2.491 179.350 176.870 -0.018 0.000 1.071 555 L CA 1.290 56.130 54.840 -0.001 0.000 0.745 555 L CB -0.601 41.490 42.059 0.053 0.000 0.892 555 L HN 0.166 nan 8.230 nan 0.000 0.431 556 V N 0.359 120.251 119.914 -0.036 0.000 2.568 556 V HA -0.326 3.793 4.120 -0.001 0.000 0.253 556 V C 2.243 178.306 176.094 -0.051 0.000 1.072 556 V CA 2.054 64.331 62.300 -0.038 0.000 1.084 556 V CB -0.803 30.997 31.823 -0.038 0.000 0.676 556 V HN 0.577 nan 8.190 nan 0.000 0.469 557 N N 0.216 118.880 118.700 -0.059 0.000 2.132 557 N HA -0.094 4.646 4.740 -0.001 0.000 0.187 557 N C 1.931 177.410 175.510 -0.051 0.000 1.038 557 N CA 1.180 54.194 53.050 -0.060 0.000 0.846 557 N CB -0.080 38.366 38.487 -0.069 0.000 1.012 557 N HN 0.410 nan 8.380 nan 0.000 0.429 558 L N 0.835 122.039 121.223 -0.030 0.000 2.263 558 L HA -0.165 4.175 4.340 -0.001 0.000 0.216 558 L C 2.411 179.246 176.870 -0.059 0.000 1.111 558 L CA 1.164 56.006 54.840 0.004 0.000 0.773 558 L CB -0.352 41.752 42.059 0.075 0.000 0.906 558 L HN 0.311 nan 8.230 nan 0.000 0.439 559 A N -1.103 121.663 122.820 -0.090 0.000 2.030 559 A HA -0.103 4.216 4.320 -0.001 0.000 0.215 559 A C 2.325 179.828 177.584 -0.134 0.000 1.164 559 A CA 0.637 52.577 52.037 -0.163 0.000 0.697 559 A CB -0.156 18.779 19.000 -0.108 0.000 0.827 559 A HN 0.319 nan 8.150 nan 0.000 0.457 560 E N 0.489 120.630 120.200 -0.098 0.000 2.076 560 E HA -0.151 4.198 4.350 -0.001 0.000 0.190 560 E C 1.981 178.532 176.600 -0.082 0.000 0.979 560 E CA 0.558 56.908 56.400 -0.083 0.000 0.807 560 E CB -0.222 29.429 29.700 -0.082 0.000 0.761 560 E HN 0.361 nan 8.360 nan 0.000 0.454 561 R N 0.538 120.968 120.500 -0.118 0.000 2.083 561 R HA -0.101 4.238 4.340 -0.001 0.000 0.237 561 R C 2.356 178.427 176.300 -0.382 0.000 1.137 561 R CA 1.283 57.261 56.100 -0.203 0.000 0.951 561 R CB -1.119 29.102 30.300 -0.132 0.000 0.851 561 R HN 0.231 nan 8.270 nan 0.000 0.434 562 A N 0.155 122.803 122.820 -0.287 0.000 1.940 562 A HA -0.224 4.096 4.320 -0.001 0.000 0.219 562 A C 2.116 179.583 177.584 -0.195 0.000 1.176 562 A CA 1.369 53.241 52.037 -0.275 0.000 0.631 562 A CB -0.703 18.098 19.000 -0.333 0.000 0.814 562 A HN 0.413 nan 8.150 nan 0.000 0.446 563 Y N 1.246 121.402 120.300 -0.240 0.000 2.153 563 Y HA -0.157 4.393 4.550 -0.001 0.000 0.289 563 Y C 2.781 178.590 175.900 -0.151 0.000 1.127 563 Y CA 2.387 60.393 58.100 -0.157 0.000 1.131 563 Y CB -0.206 38.175 38.460 -0.131 0.000 0.995 563 Y HN 0.406 nan 8.280 nan 0.000 0.505 564 T N -2.088 112.480 114.554 0.023 0.000 3.107 564 T HA 0.130 4.480 4.350 -0.001 0.000 0.249 564 T C 0.988 175.602 174.700 -0.142 0.000 1.096 564 T CA 0.414 62.497 62.100 -0.028 0.000 1.012 564 T CB -0.355 68.528 68.868 0.025 0.000 0.977 564 T HN 0.322 nan 8.240 nan 0.000 0.527 565 L N 0.264 121.313 121.223 -0.289 0.000 2.906 565 L HA 0.419 4.759 4.340 -0.001 0.000 0.255 565 L C 0.016 176.755 176.870 -0.218 0.000 1.166 565 L CA -0.526 54.113 54.840 -0.335 0.000 0.977 565 L CB -0.446 41.214 42.059 -0.664 0.000 1.313 565 L HN 0.240 nan 8.230 nan 0.000 0.549 566 N N 0.341 118.932 118.700 -0.182 0.000 2.688 566 N HA -0.220 4.520 4.740 -0.001 0.000 0.258 566 N C -1.011 174.595 175.510 0.160 0.000 1.016 566 N CA 0.115 53.136 53.050 -0.049 0.000 0.747 566 N CB -0.683 37.782 38.487 -0.036 0.000 0.895 566 N HN 0.178 nan 8.380 nan 0.000 0.543 567 Y N 0.098 120.413 120.300 0.025 0.000 2.299 567 Y HA 0.351 4.901 4.550 -0.001 0.000 0.326 567 Y C 1.248 177.237 175.900 0.147 0.000 1.164 567 Y CA -0.847 57.297 58.100 0.074 0.000 1.234 567 Y CB 1.110 39.642 38.460 0.119 0.000 1.219 567 Y HN -0.022 nan 8.280 nan 0.000 0.497 568 T N 1.302 115.975 114.554 0.199 0.000 2.902 568 T HA 0.266 4.616 4.350 -0.001 0.000 0.280 568 T C -0.517 174.078 174.700 -0.176 0.000 0.992 568 T CA -0.445 61.685 62.100 0.049 0.000 1.015 568 T CB 0.480 69.326 68.868 -0.038 0.000 1.044 568 T HN 0.788 nan 8.240 nan 0.000 0.520 569 C N 6.007 125.033 119.300 -0.456 0.000 2.281 569 C HA 0.559 5.018 4.460 -0.001 0.000 0.336 569 C C -2.075 172.635 174.990 -0.468 0.000 1.217 569 C CA -2.032 56.499 59.018 -0.810 0.000 1.730 569 C CB -0.309 26.840 27.740 -0.986 0.000 2.338 569 C HN 0.665 nan 8.230 nan 0.000 0.521 570 P HA 0.187 nan 4.420 nan 0.000 0.268 570 P C -0.597 176.343 177.300 -0.600 0.000 1.205 570 P CA 0.468 63.275 63.100 -0.488 0.000 0.771 570 P CB 0.597 31.961 31.700 -0.560 0.000 0.858 571 T N 0.063 114.328 114.554 -0.481 0.000 2.833 571 T HA 0.526 4.876 4.350 -0.001 0.000 0.297 571 T C -0.004 174.516 174.700 -0.299 0.000 1.015 571 T CA -0.671 61.217 62.100 -0.353 0.000 0.963 571 T CB -0.127 68.643 68.868 -0.165 0.000 0.955 571 T HN 0.042 nan 8.240 nan 0.000 0.449 572 F N 2.872 122.767 119.950 -0.091 0.000 2.450 572 F HA 0.532 5.059 4.527 -0.001 0.000 0.339 572 F C 0.965 176.754 175.800 -0.018 0.000 1.146 572 F CA -1.073 56.887 58.000 -0.066 0.000 1.267 572 F CB 0.433 39.375 39.000 -0.097 0.000 1.178 572 F HN 0.610 nan 8.300 nan 0.000 0.585 573 I N -1.336 119.353 120.570 0.198 0.000 2.910 573 I HA 0.431 4.600 4.170 -0.001 0.000 0.310 573 I C 0.349 176.556 176.117 0.149 0.000 1.043 573 I CA -0.850 60.528 61.300 0.130 0.000 1.053 573 I CB 1.982 40.030 38.000 0.078 0.000 1.242 573 I HN 0.660 nan 8.210 nan 0.000 0.452 574 D N 1.763 122.228 120.400 0.108 0.000 2.277 574 D HA 0.010 4.649 4.640 -0.001 0.000 0.209 574 D C 0.281 176.655 176.300 0.124 0.000 0.970 574 D CA 0.402 54.468 54.000 0.110 0.000 0.874 574 D CB 0.182 41.028 40.800 0.077 0.000 0.982 574 D HN 0.417 nan 8.370 nan 0.000 0.504 575 K N 2.108 122.560 120.400 0.087 0.000 2.237 575 K HA 0.277 4.596 4.320 -0.001 0.000 0.270 575 K C -2.308 174.324 176.600 0.053 0.000 1.015 575 K CA -1.691 54.630 56.287 0.057 0.000 0.949 575 K CB 0.565 33.077 32.500 0.019 0.000 0.976 575 K HN 0.066 nan 8.250 nan 0.000 0.472 576 P HA 0.173 nan 4.420 nan 0.000 0.268 576 P C -0.375 176.912 177.300 -0.021 0.000 1.205 576 P CA -0.115 62.957 63.100 -0.047 0.000 0.771 576 P CB 0.852 32.398 31.700 -0.256 0.000 0.858 577 G N 1.678 110.487 108.800 0.016 0.000 2.343 577 G HA2 0.343 4.303 3.960 -0.001 0.000 0.298 577 G HA3 0.343 4.303 3.960 -0.001 0.000 0.298 577 G C -1.711 173.206 174.900 0.029 0.000 1.644 577 G CA -0.767 44.340 45.100 0.012 0.000 0.958 577 G HN 0.389 nan 8.290 nan 0.000 0.702 578 I N 0.427 121.006 120.570 0.015 0.000 2.530 578 I HA 0.613 4.783 4.170 -0.001 0.000 0.297 578 I C 0.204 176.318 176.117 -0.005 0.000 1.011 578 I CA -0.997 60.307 61.300 0.006 0.000 1.107 578 I CB 2.467 40.464 38.000 -0.005 0.000 1.285 578 I HN 0.431 nan 8.210 nan 0.000 0.436 579 R N 5.910 126.399 120.500 -0.019 0.000 2.653 579 R HA 0.470 4.810 4.340 -0.001 0.000 0.269 579 R C -0.757 175.525 176.300 -0.030 0.000 1.603 579 R CA -0.446 55.644 56.100 -0.017 0.000 1.671 579 R CB 0.830 31.122 30.300 -0.014 0.000 1.300 579 R HN 0.555 nan 8.270 nan 0.000 0.668 580 I N 1.133 121.684 120.570 -0.033 0.000 2.754 580 I HA 0.075 4.245 4.170 -0.001 0.000 0.285 580 I C 0.299 176.409 176.117 -0.010 0.000 1.166 580 I CA 0.702 61.978 61.300 -0.040 0.000 1.417 580 I CB 1.101 39.068 38.000 -0.056 0.000 1.382 580 I HN 0.184 nan 8.210 nan 0.000 0.588 581 T N 4.809 119.356 114.554 -0.013 0.000 2.965 581 T HA 0.192 4.541 4.350 -0.001 0.000 0.306 581 T C -0.661 174.048 174.700 0.015 0.000 0.991 581 T CA -0.505 61.599 62.100 0.007 0.000 1.001 581 T CB 1.006 69.873 68.868 -0.003 0.000 0.984 581 T HN 0.570 nan 8.240 nan 0.000 0.446 582 E N 1.037 121.262 120.200 0.042 0.000 2.240 582 E HA -0.132 4.218 4.350 -0.001 0.000 0.194 582 E C 0.329 176.956 176.600 0.045 0.000 1.385 582 E CA 0.749 57.185 56.400 0.060 0.000 0.686 582 E CB -1.167 28.562 29.700 0.049 0.000 1.125 582 E HN 0.930 nan 8.360 nan 0.000 0.359 583 G N 0.771 109.601 108.800 0.050 0.000 2.389 583 G HA2 0.682 4.642 3.960 -0.001 0.000 0.328 583 G HA3 0.682 4.642 3.960 -0.001 0.000 0.328 583 G C -0.119 174.790 174.900 0.015 0.000 1.133 583 G CA -0.736 44.361 45.100 -0.007 0.000 0.891 583 G HN 0.055 nan 8.290 nan 0.000 0.485 584 R N -0.797 119.628 120.500 -0.124 0.000 2.867 584 R HA 0.411 4.750 4.340 -0.001 0.000 0.268 584 R C -0.888 175.206 176.300 -0.342 0.000 1.014 584 R CA -1.111 54.783 56.100 -0.344 0.000 0.946 584 R CB 1.143 31.062 30.300 -0.635 0.000 1.208 584 R HN 0.722 nan 8.270 nan 0.000 0.477 585 H N 3.549 122.306 119.070 -0.522 0.000 2.878 585 H HA 0.162 4.718 4.556 -0.001 0.000 0.290 585 H C -1.463 173.688 175.328 -0.296 0.000 1.065 585 H CA -1.704 54.183 56.048 -0.267 0.000 1.477 585 H CB 1.148 30.873 29.762 -0.061 0.000 1.484 585 H HN 0.332 nan 8.280 nan 0.000 0.504 586 P HA -0.183 nan 4.420 nan 0.000 0.219 586 P C 0.899 178.158 177.300 -0.068 0.000 1.146 586 P CA 0.928 63.898 63.100 -0.217 0.000 0.808 586 P CB 0.415 31.966 31.700 -0.248 0.000 0.779 587 V N -1.033 118.874 119.914 -0.012 0.000 2.825 587 V HA -0.054 4.066 4.120 -0.001 0.000 0.246 587 V C 2.702 178.914 176.094 0.197 0.000 1.068 587 V CA 0.903 63.284 62.300 0.136 0.000 1.088 587 V CB -0.704 31.233 31.823 0.190 0.000 0.733 587 V HN -0.073 nan 8.190 nan 0.000 0.468 588 V N 1.567 121.669 119.914 0.313 0.000 2.446 588 V HA -0.163 3.957 4.120 -0.001 0.000 0.244 588 V C 2.494 178.705 176.094 0.194 0.000 1.039 588 V CA 1.858 64.284 62.300 0.210 0.000 1.045 588 V CB -0.593 31.370 31.823 0.233 0.000 0.681 588 V HN 0.828 nan 8.190 nan 0.000 0.459 589 E N -0.090 120.144 120.200 0.057 0.000 2.501 589 E HA -0.236 4.114 4.350 -0.001 0.000 0.203 589 E C 1.791 178.434 176.600 0.072 0.000 1.072 589 E CA 1.001 57.421 56.400 0.033 0.000 0.885 589 E CB -0.065 29.476 29.700 -0.265 0.000 0.813 589 E HN 0.537 nan 8.360 nan 0.000 0.556 590 Q N 0.159 120.002 119.800 0.072 0.000 2.387 590 Q HA 0.088 4.427 4.340 -0.001 0.000 0.208 590 Q C 2.458 178.499 176.000 0.069 0.000 0.935 590 Q CA 0.813 56.654 55.803 0.062 0.000 0.891 590 Q CB -0.047 28.721 28.738 0.050 0.000 1.007 590 Q HN 0.260 nan 8.270 nan 0.000 0.548 591 V N 1.599 121.559 119.914 0.077 0.000 2.427 591 V HA -0.094 4.025 4.120 -0.001 0.000 0.248 591 V C 1.481 177.618 176.094 0.072 0.000 1.051 591 V CA 0.733 63.073 62.300 0.066 0.000 1.048 591 V CB -0.311 31.549 31.823 0.061 0.000 0.666 591 V HN 0.219 nan 8.190 nan 0.000 0.456 592 L N 1.617 122.900 121.223 0.100 0.000 2.455 592 L HA 0.066 4.405 4.340 -0.001 0.000 0.272 592 L C 1.225 178.151 176.870 0.093 0.000 1.174 592 L CA 0.310 55.212 54.840 0.103 0.000 0.869 592 L CB 0.006 42.154 42.059 0.149 0.000 1.130 592 L HN 0.248 nan 8.230 nan 0.000 0.474 593 N N 1.883 120.626 118.700 0.071 0.000 2.230 593 N HA 0.001 4.740 4.740 -0.001 0.000 0.202 593 N C 0.065 175.609 175.510 0.057 0.000 1.119 593 N CA 0.048 53.133 53.050 0.059 0.000 0.851 593 N CB 0.501 39.015 38.487 0.044 0.000 0.990 593 N HN 0.626 nan 8.380 nan 0.000 0.497 594 E N 0.932 121.171 120.200 0.066 0.000 2.227 594 E HA 0.391 4.741 4.350 -0.001 0.000 0.268 594 E C -2.360 174.289 176.600 0.081 0.000 0.990 594 E CA -2.114 54.320 56.400 0.057 0.000 0.856 594 E CB 1.185 30.913 29.700 0.046 0.000 1.159 594 E HN 0.041 nan 8.360 nan 0.000 0.401 595 P HA -0.002 nan 4.420 nan 0.000 0.267 595 P C -0.873 176.504 177.300 0.128 0.000 1.209 595 P CA 0.238 63.397 63.100 0.098 0.000 0.763 595 P CB 0.069 31.807 31.700 0.063 0.000 0.816 596 F N 4.159 124.141 119.950 0.054 0.000 2.456 596 F HA 0.150 4.677 4.527 -0.001 0.000 0.358 596 F C 0.732 176.573 175.800 0.067 0.000 1.095 596 F CA -0.514 57.526 58.000 0.066 0.000 1.216 596 F CB 0.465 39.503 39.000 0.063 0.000 1.125 596 F HN 0.175 nan 8.300 nan 0.000 0.549 597 I N 6.930 127.436 120.570 -0.107 0.000 2.294 597 I HA 0.162 4.332 4.170 -0.001 0.000 0.295 597 I C 0.691 176.937 176.117 0.216 0.000 1.098 597 I CA -0.184 61.127 61.300 0.019 0.000 1.277 597 I CB -0.419 37.535 38.000 -0.077 0.000 1.434 597 I HN 0.611 nan 8.210 nan 0.000 0.498 598 A N 7.842 130.854 122.820 0.320 0.000 2.366 598 A HA 0.400 4.719 4.320 -0.001 0.000 0.249 598 A C 0.294 178.019 177.584 0.234 0.000 1.084 598 A CA -0.268 51.968 52.037 0.331 0.000 0.794 598 A CB 0.394 19.517 19.000 0.206 0.000 1.034 598 A HN 0.772 nan 8.150 nan 0.000 0.491 599 N N 0.804 119.656 118.700 0.253 0.000 2.229 599 N HA 0.536 5.276 4.740 -0.001 0.000 0.298 599 N C -3.086 172.552 175.510 0.213 0.000 1.114 599 N CA -1.011 52.189 53.050 0.250 0.000 0.776 599 N CB 2.777 41.516 38.487 0.420 0.000 1.501 599 N HN 0.460 nan 8.380 nan 0.000 0.474 600 P HA 0.419 nan 4.420 nan 0.000 0.281 600 P C -1.111 176.308 177.300 0.198 0.000 1.264 600 P CA -0.547 62.636 63.100 0.138 0.000 0.824 600 P CB 1.508 33.265 31.700 0.094 0.000 1.092 601 L N 1.299 122.589 121.223 0.112 0.000 2.565 601 L HA 0.582 4.921 4.340 -0.001 0.000 0.261 601 L C -1.834 175.070 176.870 0.056 0.000 0.932 601 L CA -0.442 54.466 54.840 0.113 0.000 0.878 601 L CB 1.819 43.889 42.059 0.018 0.000 1.333 601 L HN 0.397 nan 8.230 nan 0.000 0.409 602 N N 4.940 123.677 118.700 0.061 0.000 2.410 602 N HA 0.656 5.395 4.740 -0.001 0.000 0.287 602 N C -1.938 173.591 175.510 0.032 0.000 1.044 602 N CA -0.354 52.717 53.050 0.034 0.000 0.881 602 N CB 1.417 39.922 38.487 0.029 0.000 1.405 602 N HN 0.676 nan 8.380 nan 0.000 0.490 603 L N 2.756 123.990 121.223 0.018 0.000 2.480 603 L HA 0.336 4.676 4.340 -0.001 0.000 0.253 603 L C 0.115 176.985 176.870 0.000 0.000 1.324 603 L CA -0.587 54.260 54.840 0.013 0.000 0.916 603 L CB 0.773 42.841 42.059 0.015 0.000 1.160 603 L HN 0.586 nan 8.230 nan 0.000 0.503 604 S N -0.035 115.664 115.700 -0.002 0.000 2.617 604 S HA 0.342 4.812 4.470 -0.001 0.000 0.259 604 S C -1.958 172.628 174.600 -0.023 0.000 1.301 604 S CA -0.988 57.205 58.200 -0.011 0.000 0.984 604 S CB 0.401 63.596 63.200 -0.008 0.000 0.954 604 S HN 0.204 nan 8.310 nan 0.000 0.572 605 P HA 0.112 nan 4.420 nan 0.000 0.245 605 P C 0.685 177.963 177.300 -0.036 0.000 1.212 605 P CA 0.510 63.582 63.100 -0.046 0.000 0.774 605 P CB -0.011 31.652 31.700 -0.061 0.000 0.999 606 Q N -0.925 118.859 119.800 -0.026 0.000 2.245 606 Q HA 0.025 4.364 4.340 -0.001 0.000 0.201 606 Q C 1.145 177.132 176.000 -0.022 0.000 0.955 606 Q CA 0.868 56.658 55.803 -0.022 0.000 0.870 606 Q CB -0.029 28.700 28.738 -0.015 0.000 0.945 606 Q HN 0.072 nan 8.270 nan 0.000 0.461 607 R N 0.467 120.957 120.500 -0.018 0.000 2.587 607 R HA 0.289 4.628 4.340 -0.001 0.000 0.283 607 R C 0.174 176.466 176.300 -0.013 0.000 1.472 607 R CA -0.070 56.023 56.100 -0.013 0.000 1.578 607 R CB 0.269 30.570 30.300 0.000 0.000 1.130 607 R HN 0.047 nan 8.270 nan 0.000 0.602 608 R N 0.882 121.367 120.500 -0.026 0.000 2.161 608 R HA 0.133 4.473 4.340 -0.001 0.000 0.213 608 R C 0.640 176.931 176.300 -0.015 0.000 1.055 608 R CA 0.786 56.869 56.100 -0.028 0.000 0.996 608 R CB 0.392 30.665 30.300 -0.046 0.000 0.901 608 R HN 0.281 nan 8.270 nan 0.000 0.456 609 M N 0.883 120.474 119.600 -0.016 0.000 2.277 609 M HA 0.313 4.793 4.480 -0.001 0.000 0.282 609 M C -1.961 174.346 176.300 0.013 0.000 1.074 609 M CA -0.504 54.796 55.300 -0.001 0.000 0.954 609 M CB 1.929 34.501 32.600 -0.047 0.000 1.672 609 M HN -0.081 nan 8.290 nan 0.000 0.471 610 L N 5.704 126.965 121.223 0.063 0.000 2.287 610 L HA 0.499 4.839 4.340 -0.001 0.000 0.287 610 L C -0.552 176.382 176.870 0.106 0.000 1.022 610 L CA -0.837 54.049 54.840 0.076 0.000 0.814 610 L CB 1.574 43.702 42.059 0.114 0.000 1.217 610 L HN 0.613 nan 8.230 nan 0.000 0.420 611 I N 5.407 126.017 120.570 0.068 0.000 2.322 611 I HA 0.221 4.391 4.170 -0.001 0.000 0.292 611 I C 0.299 176.480 176.117 0.107 0.000 1.060 611 I CA -0.017 61.345 61.300 0.104 0.000 1.309 611 I CB 0.743 38.754 38.000 0.018 0.000 1.415 611 I HN 0.430 nan 8.210 nan 0.000 0.492 612 I N 7.137 127.790 120.570 0.138 0.000 2.307 612 I HA 0.221 4.391 4.170 -0.001 0.000 0.289 612 I C 0.716 176.904 176.117 0.119 0.000 1.021 612 I CA -0.244 61.115 61.300 0.099 0.000 1.224 612 I CB 1.047 39.091 38.000 0.073 0.000 1.376 612 I HN 0.545 nan 8.210 nan 0.000 0.470 613 T N 2.004 116.640 114.554 0.136 0.000 2.919 613 T HA 0.913 5.262 4.350 -0.001 0.000 0.282 613 T C 0.268 175.083 174.700 0.191 0.000 1.020 613 T CA -0.381 61.816 62.100 0.162 0.000 0.994 613 T CB 2.005 70.972 68.868 0.165 0.000 1.180 613 T HN 1.003 nan 8.240 nan 0.000 0.566 614 G N 0.758 109.683 108.800 0.207 0.000 2.710 614 G HA2 0.088 4.048 3.960 -0.001 0.000 0.668 614 G HA3 0.088 4.048 3.960 -0.001 0.000 0.668 614 G C -3.165 171.841 174.900 0.176 0.000 1.320 614 G CA -0.671 44.571 45.100 0.236 0.000 0.860 614 G HN 0.829 nan 8.290 nan 0.000 0.538 615 P HA 0.162 nan 4.420 nan 0.000 0.271 615 P C 0.588 177.840 177.300 -0.080 0.000 1.216 615 P CA -0.278 62.849 63.100 0.043 0.000 0.771 615 P CB 1.148 32.879 31.700 0.051 0.000 0.864 616 N N 3.797 122.427 118.700 -0.117 0.000 2.119 616 N HA -0.020 4.719 4.740 -0.001 0.000 0.190 616 N C 0.860 176.241 175.510 -0.215 0.000 1.068 616 N CA 0.995 53.975 53.050 -0.117 0.000 0.872 616 N CB -0.415 38.023 38.487 -0.081 0.000 1.053 616 N HN 0.261 nan 8.380 nan 0.000 0.447 617 M N -0.294 119.145 119.600 -0.269 0.000 2.393 617 M HA -0.207 4.273 4.480 -0.001 0.000 0.201 617 M C 1.059 177.265 176.300 -0.156 0.000 0.403 617 M CA 1.165 56.272 55.300 -0.321 0.000 0.471 617 M CB -2.619 29.507 32.600 -0.790 0.000 1.669 617 M HN 0.640 nan 8.290 nan 0.000 0.864 618 G N -1.499 107.237 108.800 -0.107 0.000 2.458 618 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.237 618 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.237 618 G C 1.049 175.895 174.900 -0.090 0.000 1.113 618 G CA 0.971 46.017 45.100 -0.090 0.000 0.655 618 G HN 1.176 nan 8.290 nan 0.000 0.513 619 G N 0.363 109.149 108.800 -0.024 0.000 2.469 619 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.219 619 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.219 619 G C 1.594 176.523 174.900 0.049 0.000 1.150 619 G CA 1.910 47.051 45.100 0.069 0.000 0.763 619 G HN 0.633 nan 8.290 nan 0.000 0.561 620 K N 0.206 120.625 120.400 0.032 0.000 2.001 620 K HA 0.002 4.322 4.320 -0.001 0.000 0.208 620 K C 2.665 179.316 176.600 0.084 0.000 1.048 620 K CA 1.194 57.515 56.287 0.057 0.000 0.932 620 K CB -0.155 32.363 32.500 0.029 0.000 0.715 620 K HN 0.225 nan 8.250 nan 0.000 0.437 621 S N 0.471 116.189 115.700 0.030 0.000 2.653 621 S HA -0.042 4.428 4.470 -0.001 0.000 0.233 621 S C 1.262 175.875 174.600 0.022 0.000 0.970 621 S CA 0.746 58.960 58.200 0.023 0.000 0.947 621 S CB 0.005 63.199 63.200 -0.009 0.000 0.771 621 S HN 0.310 nan 8.310 nan 0.000 0.538 622 T N -0.057 114.519 114.554 0.037 0.000 3.082 622 T HA 0.084 4.434 4.350 -0.001 0.000 0.235 622 T C 1.400 176.202 174.700 0.170 0.000 0.991 622 T CA 0.098 62.218 62.100 0.033 0.000 1.220 622 T CB -0.466 68.380 68.868 -0.038 0.000 0.909 622 T HN 0.413 nan 8.240 nan 0.000 0.424 623 Y N 2.131 122.476 120.300 0.075 0.000 2.132 623 Y HA -0.279 4.271 4.550 -0.001 0.000 0.280 623 Y C 2.181 178.130 175.900 0.081 0.000 1.193 623 Y CA 1.702 59.859 58.100 0.096 0.000 1.157 623 Y CB -0.436 38.065 38.460 0.069 0.000 0.966 623 Y HN 0.170 nan 8.280 nan 0.000 0.511 624 M N -0.673 119.026 119.600 0.164 0.000 2.064 624 M HA -0.209 4.270 4.480 -0.001 0.000 0.260 624 M C 2.355 178.671 176.300 0.027 0.000 1.073 624 M CA 1.889 57.230 55.300 0.069 0.000 1.124 624 M CB -0.467 32.194 32.600 0.100 0.000 1.326 624 M HN 0.118 nan 8.290 nan 0.000 0.410 625 R N 0.641 121.187 120.500 0.078 0.000 2.120 625 R HA -0.193 4.147 4.340 -0.001 0.000 0.234 625 R C 2.317 178.687 176.300 0.116 0.000 1.123 625 R CA 1.808 57.973 56.100 0.109 0.000 0.975 625 R CB -0.442 29.955 30.300 0.162 0.000 0.866 625 R HN 0.594 nan 8.270 nan 0.000 0.446 626 Q N -0.288 119.612 119.800 0.166 0.000 2.167 626 Q HA -0.098 4.241 4.340 -0.001 0.000 0.202 626 Q C 1.429 177.367 176.000 -0.103 0.000 0.970 626 Q CA 1.763 57.592 55.803 0.043 0.000 0.855 626 Q CB -0.250 28.551 28.738 0.106 0.000 0.911 626 Q HN 0.034 nan 8.270 nan 0.000 0.438 627 T N 1.239 115.712 114.554 -0.136 0.000 2.643 627 T HA -0.111 4.239 4.350 -0.001 0.000 0.264 627 T C 1.986 176.629 174.700 -0.094 0.000 1.045 627 T CA 1.683 63.688 62.100 -0.158 0.000 1.155 627 T CB -0.530 68.219 68.868 -0.199 0.000 0.863 627 T HN 0.549 nan 8.240 nan 0.000 0.420 628 A N 0.890 123.673 122.820 -0.060 0.000 1.978 628 A HA -0.014 4.306 4.320 -0.001 0.000 0.220 628 A C 2.282 179.831 177.584 -0.059 0.000 1.170 628 A CA 1.243 53.254 52.037 -0.042 0.000 0.636 628 A CB -0.772 18.215 19.000 -0.020 0.000 0.810 628 A HN 0.497 nan 8.150 nan 0.000 0.448 629 L N -0.985 120.183 121.223 -0.092 0.000 2.131 629 L HA -0.029 4.310 4.340 -0.001 0.000 0.206 629 L C 2.324 179.114 176.870 -0.132 0.000 1.087 629 L CA 0.767 55.529 54.840 -0.130 0.000 0.767 629 L CB -0.359 41.567 42.059 -0.222 0.000 0.917 629 L HN 0.354 nan 8.230 nan 0.000 0.441 630 I N -0.137 120.347 120.570 -0.143 0.000 2.493 630 I HA -0.248 3.921 4.170 -0.001 0.000 0.254 630 I C 2.643 178.718 176.117 -0.070 0.000 1.160 630 I CA 0.914 62.129 61.300 -0.142 0.000 1.445 630 I CB -0.232 37.674 38.000 -0.155 0.000 1.086 630 I HN 0.205 nan 8.210 nan 0.000 0.433 631 A N 0.900 123.707 122.820 -0.023 0.000 1.843 631 A HA -0.137 4.182 4.320 -0.001 0.000 0.213 631 A C 2.222 179.879 177.584 0.122 0.000 1.202 631 A CA 0.731 52.813 52.037 0.076 0.000 0.607 631 A CB -0.864 18.167 19.000 0.051 0.000 0.847 631 A HN 0.295 nan 8.150 nan 0.000 0.445 632 L N -0.031 121.217 121.223 0.041 0.000 2.011 632 L HA -0.277 4.063 4.340 -0.001 0.000 0.225 632 L C 2.438 179.344 176.870 0.059 0.000 1.084 632 L CA 2.816 57.677 54.840 0.036 0.000 0.791 632 L CB -1.187 40.856 42.059 -0.026 0.000 0.898 632 L HN 0.521 nan 8.230 nan 0.000 0.440 633 M N -1.253 118.351 119.600 0.007 0.000 2.159 633 M HA -0.180 4.300 4.480 -0.001 0.000 0.263 633 M C 2.238 178.559 176.300 0.035 0.000 1.063 633 M CA 1.734 57.037 55.300 0.006 0.000 1.110 633 M CB -0.438 32.115 32.600 -0.078 0.000 1.374 633 M HN 0.454 nan 8.290 nan 0.000 0.411 634 A N -0.226 122.606 122.820 0.020 0.000 1.851 634 A HA -0.203 4.117 4.320 -0.001 0.000 0.216 634 A C 1.619 179.242 177.584 0.064 0.000 1.195 634 A CA 1.532 53.556 52.037 -0.022 0.000 0.622 634 A CB -1.268 17.695 19.000 -0.062 0.000 0.831 634 A HN 0.521 nan 8.150 nan 0.000 0.444 635 Y N -0.921 119.458 120.300 0.131 0.000 2.584 635 Y HA 0.177 4.726 4.550 -0.001 0.000 0.317 635 Y C 1.519 177.448 175.900 0.049 0.000 1.208 635 Y CA 0.397 58.574 58.100 0.129 0.000 1.299 635 Y CB 0.073 38.578 38.460 0.075 0.000 1.047 635 Y HN 0.336 nan 8.280 nan 0.000 0.506 636 I N -1.551 119.100 120.570 0.136 0.000 4.018 636 I HA 0.156 4.325 4.170 -0.001 0.000 0.337 636 I C 1.571 177.742 176.117 0.089 0.000 1.327 636 I CA 0.838 62.190 61.300 0.086 0.000 1.100 636 I CB -0.041 38.035 38.000 0.127 0.000 1.025 636 I HN 0.361 nan 8.210 nan 0.000 0.396 637 G N 0.863 109.725 108.800 0.103 0.000 2.336 637 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.233 637 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.233 637 G C 0.644 175.661 174.900 0.195 0.000 1.053 637 G CA 0.429 45.610 45.100 0.135 0.000 0.625 637 G HN 0.472 nan 8.290 nan 0.000 0.511 638 S N -0.021 115.806 115.700 0.213 0.000 2.569 638 S HA 0.425 4.895 4.470 -0.001 0.000 0.274 638 S C 0.700 175.478 174.600 0.297 0.000 1.353 638 S CA -0.203 58.159 58.200 0.269 0.000 1.023 638 S CB 0.105 63.437 63.200 0.220 0.000 0.876 638 S HN 0.361 nan 8.310 nan 0.000 0.540 639 Y N 0.951 121.317 120.300 0.110 0.000 2.330 639 Y HA 0.382 4.931 4.550 -0.001 0.000 0.341 639 Y C 0.714 176.617 175.900 0.006 0.000 1.278 639 Y CA -0.459 57.695 58.100 0.089 0.000 1.453 639 Y CB 0.771 39.337 38.460 0.178 0.000 1.342 639 Y HN 0.566 nan 8.280 nan 0.000 0.590 640 V N -0.325 119.591 119.914 0.002 0.000 2.735 640 V HA 0.460 4.579 4.120 -0.001 0.000 0.310 640 V C -2.801 173.061 176.094 -0.387 0.000 1.061 640 V CA -3.078 59.049 62.300 -0.288 0.000 0.913 640 V CB 1.760 33.448 31.823 -0.225 0.000 1.005 640 V HN 0.511 nan 8.190 nan 0.000 0.428 641 P HA 0.487 nan 4.420 nan 0.000 0.263 641 P C -0.210 176.983 177.300 -0.178 0.000 1.601 641 P CA 0.712 63.544 63.100 -0.446 0.000 1.161 641 P CB 0.359 31.726 31.700 -0.554 0.000 1.730 642 A N 3.147 125.926 122.820 -0.068 0.000 2.438 642 A HA 0.355 4.674 4.320 -0.001 0.000 0.301 642 A C 0.497 178.074 177.584 -0.012 0.000 1.101 642 A CA -0.377 51.633 52.037 -0.045 0.000 0.621 642 A CB 0.415 19.368 19.000 -0.078 0.000 1.350 642 A HN 0.167 nan 8.150 nan 0.000 0.496 643 Q N -0.091 119.700 119.800 -0.014 0.000 2.304 643 Q HA 0.231 4.571 4.340 -0.001 0.000 0.204 643 Q C 0.307 176.289 176.000 -0.030 0.000 0.936 643 Q CA 1.185 56.982 55.803 -0.009 0.000 0.878 643 Q CB 0.385 29.123 28.738 -0.001 0.000 0.983 643 Q HN 0.566 nan 8.270 nan 0.000 0.516 644 K N -0.351 120.022 120.400 -0.044 0.000 2.527 644 K HA 0.521 4.841 4.320 -0.001 0.000 0.260 644 K C -1.770 174.779 176.600 -0.085 0.000 0.937 644 K CA -0.442 55.805 56.287 -0.067 0.000 0.826 644 K CB 2.403 34.873 32.500 -0.051 0.000 1.359 644 K HN -0.212 nan 8.250 nan 0.000 0.434 645 V N 2.927 122.768 119.914 -0.122 0.000 2.610 645 V HA 0.252 4.372 4.120 -0.001 0.000 0.298 645 V C -1.294 174.702 176.094 -0.163 0.000 1.067 645 V CA -0.807 61.412 62.300 -0.135 0.000 0.894 645 V CB 1.747 33.471 31.823 -0.165 0.000 1.015 645 V HN 0.785 nan 8.190 nan 0.000 0.432 646 E N 4.561 124.694 120.200 -0.113 0.000 2.156 646 E HA 0.687 5.036 4.350 -0.001 0.000 0.279 646 E C -0.974 175.586 176.600 -0.067 0.000 0.965 646 E CA -0.498 55.841 56.400 -0.103 0.000 0.789 646 E CB 3.040 32.708 29.700 -0.053 0.000 1.098 646 E HN 0.579 nan 8.360 nan 0.000 0.397 647 I N 1.541 122.075 120.570 -0.060 0.000 2.686 647 I HA 0.480 4.650 4.170 -0.001 0.000 0.295 647 I C -0.055 176.178 176.117 0.194 0.000 1.114 647 I CA -0.499 60.834 61.300 0.056 0.000 1.038 647 I CB 1.695 39.734 38.000 0.066 0.000 1.238 647 I HN 0.605 nan 8.210 nan 0.000 0.420 648 G N 5.432 114.360 108.800 0.213 0.000 2.535 648 G HA2 0.567 4.527 3.960 -0.001 0.000 0.303 648 G HA3 0.567 4.527 3.960 -0.001 0.000 0.303 648 G C -2.790 172.326 174.900 0.361 0.000 1.237 648 G CA -1.324 43.926 45.100 0.251 0.000 0.986 648 G HN 0.395 nan 8.290 nan 0.000 0.494 649 P HA 0.205 nan 4.420 nan 0.000 0.268 649 P C -0.774 176.589 177.300 0.105 0.000 1.205 649 P CA 0.357 63.596 63.100 0.232 0.000 0.771 649 P CB 1.030 32.870 31.700 0.234 0.000 0.858 650 I N 2.573 123.014 120.570 -0.215 0.000 2.498 650 I HA 0.184 4.353 4.170 -0.001 0.000 0.290 650 I C 1.296 177.301 176.117 -0.185 0.000 1.032 650 I CA -0.418 60.788 61.300 -0.158 0.000 1.073 650 I CB 2.233 40.081 38.000 -0.253 0.000 1.251 650 I HN 0.340 nan 8.210 nan 0.000 0.426 651 D N 5.068 125.440 120.400 -0.047 0.000 2.324 651 D HA 0.056 4.695 4.640 -0.001 0.000 0.212 651 D C 0.513 176.753 176.300 -0.099 0.000 0.984 651 D CA 0.497 54.451 54.000 -0.078 0.000 0.885 651 D CB 0.524 41.310 40.800 -0.023 0.000 0.996 651 D HN 0.392 nan 8.370 nan 0.000 0.505 652 R N -0.377 120.068 120.500 -0.091 0.000 2.651 652 R HA 0.599 4.939 4.340 -0.001 0.000 0.278 652 R C -1.042 175.094 176.300 -0.273 0.000 1.010 652 R CA -0.600 55.355 56.100 -0.240 0.000 0.896 652 R CB 2.629 32.765 30.300 -0.273 0.000 1.211 652 R HN -0.040 nan 8.270 nan 0.000 0.456 653 I N 3.176 123.516 120.570 -0.383 0.000 2.339 653 I HA 0.364 4.533 4.170 -0.001 0.000 0.290 653 I C -0.982 174.884 176.117 -0.418 0.000 0.994 653 I CA -0.459 60.685 61.300 -0.262 0.000 1.191 653 I CB 0.920 38.830 38.000 -0.150 0.000 1.343 653 I HN 0.367 nan 8.210 nan 0.000 0.458 654 F N 3.503 123.453 119.950 -0.000 0.000 2.467 654 F HA 0.440 4.967 4.527 -0.001 0.000 0.336 654 F C 0.319 176.120 175.800 0.001 0.000 1.123 654 F CA -0.707 57.294 58.000 0.003 0.000 0.964 654 F CB 2.143 41.146 39.000 0.006 0.000 1.136 654 F HN 0.290 nan 8.300 nan 0.000 0.447 655 T N 0.023 114.677 114.554 0.165 0.000 2.963 655 T HA 0.403 4.753 4.350 -0.001 0.000 0.328 655 T C -0.594 174.154 174.700 0.080 0.000 1.048 655 T CA -0.975 61.182 62.100 0.096 0.000 1.033 655 T CB 0.956 69.857 68.868 0.055 0.000 1.010 655 T HN 0.442 nan 8.240 nan 0.000 0.469 656 R N 3.052 123.587 120.500 0.059 0.000 2.825 656 R HA 0.594 4.933 4.340 -0.001 0.000 0.261 656 R C -1.529 174.770 176.300 -0.001 0.000 1.341 656 R CA -0.925 55.188 56.100 0.022 0.000 1.353 656 R CB -0.765 29.534 30.300 -0.002 0.000 1.191 656 R HN 0.578 nan 8.270 nan 0.000 0.590 657 V N 2.930 122.849 119.914 0.009 0.000 2.686 657 V HA 0.855 4.975 4.120 -0.001 0.000 0.306 657 V C 0.505 176.601 176.094 0.004 0.000 1.065 657 V CA 0.004 62.305 62.300 0.002 0.000 0.894 657 V CB 1.502 33.333 31.823 0.013 0.000 1.004 657 V HN 0.898 nan 8.190 nan 0.000 0.424 658 G N 3.434 112.231 108.800 -0.004 0.000 2.512 658 G HA2 0.338 4.297 3.960 -0.001 0.000 0.210 658 G HA3 0.338 4.297 3.960 -0.001 0.000 0.210 658 G C 0.088 174.988 174.900 -0.001 0.000 1.295 658 G CA 0.189 45.286 45.100 -0.005 0.000 0.934 658 G HN 1.632 nan 8.290 nan 0.000 0.554 659 A N -0.685 122.135 122.820 0.001 0.000 2.296 659 A HA 0.989 5.308 4.320 -0.001 0.000 0.276 659 A C 1.445 179.036 177.584 0.011 0.000 1.356 659 A CA 1.953 53.993 52.037 0.006 0.000 0.825 659 A CB -0.430 18.573 19.000 0.004 0.000 1.308 659 A HN 3.020 nan 8.150 nan 0.000 0.515 660 A N -0.578 122.251 122.820 0.015 0.000 2.302 660 A HA 0.311 4.631 4.320 -0.001 0.000 0.634 660 A C -0.060 177.537 177.584 0.022 0.000 0.278 660 A CA 0.589 52.637 52.037 0.018 0.000 0.218 660 A CB -1.836 17.173 19.000 0.016 0.000 3.675 660 A HN 2.314 nan 8.150 nan 0.000 0.507 661 D N 0.542 120.960 120.400 0.029 0.000 10.657 661 D HA -0.126 4.513 4.640 -0.001 0.000 0.325 661 D C 0.279 176.594 176.300 0.025 0.000 3.084 661 D CA 1.455 55.474 54.000 0.031 0.000 2.723 661 D CB -0.058 40.758 40.800 0.026 0.000 1.185 661 D HN 0.767 nan 8.370 nan 0.000 0.923 662 D N 1.083 121.499 120.400 0.026 0.000 2.278 662 D HA 0.045 4.685 4.640 -0.001 0.000 0.228 662 D C 1.773 178.084 176.300 0.018 0.000 1.020 662 D CA 0.909 54.922 54.000 0.022 0.000 0.922 662 D CB 0.088 40.903 40.800 0.024 0.000 1.051 662 D HN 0.365 nan 8.370 nan 0.000 0.452 663 L N -0.833 120.401 121.223 0.018 0.000 2.769 663 L HA 0.582 4.921 4.340 -0.001 0.000 0.240 663 L C 1.331 178.213 176.870 0.019 0.000 1.163 663 L CA 0.274 55.127 54.840 0.021 0.000 0.962 663 L CB -0.791 41.280 42.059 0.020 0.000 1.258 663 L HN 0.016 nan 8.230 nan 0.000 0.513 664 A N 1.069 123.900 122.820 0.017 0.000 2.067 664 A HA -0.048 4.271 4.320 -0.001 0.000 0.217 664 A C 2.148 179.742 177.584 0.018 0.000 1.156 664 A CA 1.307 53.353 52.037 0.016 0.000 0.683 664 A CB -0.258 18.750 19.000 0.013 0.000 0.808 664 A HN 0.636 nan 8.150 nan 0.000 0.455 665 S N -2.281 113.431 115.700 0.020 0.000 2.577 665 S HA 0.411 4.881 4.470 -0.001 0.000 0.219 665 S C 1.382 175.996 174.600 0.024 0.000 0.962 665 S CA 0.937 59.149 58.200 0.021 0.000 0.921 665 S CB -0.162 63.050 63.200 0.021 0.000 0.789 665 S HN 1.753 nan 8.310 nan 0.000 0.497 666 G N 2.389 111.203 108.800 0.024 0.000 2.212 666 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.266 666 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.266 666 G C 0.155 175.074 174.900 0.032 0.000 0.978 666 G CA 0.370 45.485 45.100 0.026 0.000 0.632 666 G HN 0.964 nan 8.290 nan 0.000 0.537 667 R N 0.026 120.547 120.500 0.036 0.000 2.457 667 R HA 0.758 5.098 4.340 -0.001 0.000 0.284 667 R C -0.077 176.255 176.300 0.053 0.000 1.024 667 R CA -0.044 56.084 56.100 0.047 0.000 1.025 667 R CB 1.289 31.615 30.300 0.044 0.000 1.063 667 R HN 0.076 nan 8.270 nan 0.000 0.493 668 S N 0.526 116.270 115.700 0.075 0.000 2.713 668 S HA 0.169 4.639 4.470 -0.001 0.000 0.283 668 S C -0.242 174.417 174.600 0.098 0.000 1.161 668 S CA -0.551 57.698 58.200 0.082 0.000 0.999 668 S CB 1.544 64.799 63.200 0.093 0.000 1.039 668 S HN 0.677 nan 8.310 nan 0.000 0.548 669 T N 0.865 115.474 114.554 0.092 0.000 2.906 669 T HA 0.183 4.533 4.350 -0.001 0.000 0.320 669 T C 0.631 175.464 174.700 0.222 0.000 1.088 669 T CA 1.252 63.417 62.100 0.109 0.000 1.120 669 T CB -0.534 68.384 68.868 0.083 0.000 1.000 669 T HN 0.652 nan 8.240 nan 0.000 0.550 670 F N 2.373 122.337 119.950 0.023 0.000 2.530 670 F HA -0.360 4.166 4.527 -0.001 0.000 0.737 670 F C 1.401 177.220 175.800 0.031 0.000 0.486 670 F CA 2.174 60.194 58.000 0.033 0.000 0.768 670 F CB -1.756 37.266 39.000 0.037 0.000 1.622 670 F HN 0.599 nan 8.300 nan 0.000 0.275 671 M N 1.329 121.045 119.600 0.193 0.000 2.144 671 M HA -0.081 4.398 4.480 -0.001 0.000 0.260 671 M C 1.570 177.857 176.300 -0.022 0.000 1.067 671 M CA 2.521 57.860 55.300 0.065 0.000 1.095 671 M CB -0.802 31.877 32.600 0.131 0.000 1.365 671 M HN 0.301 nan 8.290 nan 0.000 0.406 672 V N 0.316 120.232 119.914 0.003 0.000 2.244 672 V HA -0.262 3.858 4.120 -0.001 0.000 0.244 672 V C 2.230 178.291 176.094 -0.056 0.000 1.042 672 V CA 2.292 64.585 62.300 -0.012 0.000 1.006 672 V CB -0.806 31.025 31.823 0.013 0.000 0.641 672 V HN 0.523 nan 8.190 nan 0.000 0.446 673 E N -0.492 119.663 120.200 -0.075 0.000 2.086 673 E HA -0.286 4.064 4.350 -0.001 0.000 0.200 673 E C 2.260 178.761 176.600 -0.165 0.000 1.012 673 E CA 1.712 58.049 56.400 -0.105 0.000 0.812 673 E CB -0.210 29.430 29.700 -0.100 0.000 0.743 673 E HN 0.394 nan 8.360 nan 0.000 0.453 674 M N 0.082 119.509 119.600 -0.287 0.000 2.132 674 M HA -0.099 4.380 4.480 -0.001 0.000 0.263 674 M C 2.378 178.590 176.300 -0.148 0.000 1.065 674 M CA 1.457 56.592 55.300 -0.276 0.000 1.122 674 M CB -1.257 31.094 32.600 -0.415 0.000 1.365 674 M HN 0.074 nan 8.290 nan 0.000 0.411 675 T N 0.312 114.803 114.554 -0.105 0.000 2.833 675 T HA -0.134 4.216 4.350 -0.001 0.000 0.269 675 T C 1.761 176.441 174.700 -0.033 0.000 1.054 675 T CA 1.249 63.320 62.100 -0.048 0.000 1.135 675 T CB -0.190 68.665 68.868 -0.022 0.000 0.869 675 T HN 0.472 nan 8.240 nan 0.000 0.466 676 E N 0.759 120.936 120.200 -0.039 0.000 2.072 676 E HA -0.080 4.269 4.350 -0.001 0.000 0.191 676 E C 2.408 178.981 176.600 -0.043 0.000 0.985 676 E CA 1.301 57.691 56.400 -0.017 0.000 0.801 676 E CB -0.216 29.480 29.700 -0.007 0.000 0.750 676 E HN 0.420 nan 8.360 nan 0.000 0.452 677 T N 1.047 115.555 114.554 -0.077 0.000 2.867 677 T HA -0.091 4.259 4.350 -0.001 0.000 0.268 677 T C 1.961 176.583 174.700 -0.130 0.000 1.057 677 T CA 0.968 63.008 62.100 -0.099 0.000 1.136 677 T CB -0.108 68.704 68.868 -0.092 0.000 0.874 677 T HN 0.206 nan 8.240 nan 0.000 0.466 678 A N 2.009 124.761 122.820 -0.113 0.000 1.877 678 A HA -0.157 4.163 4.320 -0.001 0.000 0.216 678 A C 2.162 179.689 177.584 -0.094 0.000 1.186 678 A CA 1.964 53.921 52.037 -0.132 0.000 0.620 678 A CB -1.038 17.928 19.000 -0.055 0.000 0.822 678 A HN 0.569 nan 8.150 nan 0.000 0.443 679 N N -0.387 118.297 118.700 -0.026 0.000 2.061 679 N HA -0.170 4.570 4.740 -0.001 0.000 0.193 679 N C 1.641 177.071 175.510 -0.135 0.000 1.030 679 N CA 1.842 54.902 53.050 0.016 0.000 0.856 679 N CB -0.301 38.226 38.487 0.066 0.000 1.023 679 N HN 0.540 nan 8.380 nan 0.000 0.424 680 I N 0.578 120.966 120.570 -0.304 0.000 2.076 680 I HA -0.328 3.842 4.170 -0.001 0.000 0.237 680 I C 2.030 177.842 176.117 -0.508 0.000 1.059 680 I CA 1.183 62.053 61.300 -0.716 0.000 1.317 680 I CB -0.399 37.306 38.000 -0.492 0.000 1.037 680 I HN 0.226 nan 8.210 nan 0.000 0.398 681 L N -0.459 120.581 121.223 -0.305 0.000 2.079 681 L HA -0.273 4.067 4.340 -0.001 0.000 0.210 681 L C 2.724 179.494 176.870 -0.166 0.000 1.081 681 L CA 1.249 55.947 54.840 -0.236 0.000 0.752 681 L CB -0.982 40.928 42.059 -0.247 0.000 0.896 681 L HN 0.371 nan 8.230 nan 0.000 0.433 682 H N 0.048 119.051 119.070 -0.113 0.000 2.389 682 H HA -0.077 4.479 4.556 -0.001 0.000 0.299 682 H C 1.717 177.019 175.328 -0.044 0.000 1.081 682 H CA 1.695 57.706 56.048 -0.061 0.000 1.345 682 H CB -0.101 29.638 29.762 -0.038 0.000 1.393 682 H HN 0.489 nan 8.280 nan 0.000 0.520 683 N N -0.401 118.335 118.700 0.060 0.000 2.294 683 N HA 0.196 4.935 4.740 -0.001 0.000 0.186 683 N C 0.284 175.873 175.510 0.132 0.000 1.107 683 N CA 0.164 53.284 53.050 0.117 0.000 0.884 683 N CB 0.860 39.487 38.487 0.233 0.000 1.030 683 N HN 0.070 nan 8.380 nan 0.000 0.482 684 A N 1.506 124.294 122.820 -0.053 0.000 2.454 684 A HA 0.330 4.650 4.320 -0.001 0.000 0.260 684 A C 0.760 178.396 177.584 0.087 0.000 1.106 684 A CA -0.116 51.943 52.037 0.036 0.000 0.780 684 A CB -0.141 18.739 19.000 -0.200 0.000 1.044 684 A HN 0.263 nan 8.150 nan 0.000 0.498 685 T N -0.419 114.230 114.554 0.159 0.000 2.923 685 T HA 0.407 4.757 4.350 -0.001 0.000 0.281 685 T C 0.823 175.587 174.700 0.107 0.000 0.995 685 T CA 0.069 62.251 62.100 0.136 0.000 0.985 685 T CB 0.925 69.904 68.868 0.185 0.000 1.114 685 T HN 0.718 nan 8.240 nan 0.000 0.548 686 E N -0.531 119.711 120.200 0.069 0.000 2.510 686 E HA -0.130 4.220 4.350 -0.001 0.000 0.202 686 E C 0.248 176.728 176.600 -0.200 0.000 1.072 686 E CA 0.951 57.311 56.400 -0.067 0.000 0.883 686 E CB -0.545 29.080 29.700 -0.125 0.000 0.818 686 E HN 0.762 nan 8.360 nan 0.000 0.548 687 Y N 0.935 121.249 120.300 0.022 0.000 2.524 687 Y HA 0.283 4.832 4.550 -0.001 0.000 0.266 687 Y C 0.301 176.206 175.900 0.008 0.000 1.180 687 Y CA -0.318 57.786 58.100 0.008 0.000 1.244 687 Y CB 0.939 39.394 38.460 -0.008 0.000 1.125 687 Y HN -0.086 nan 8.280 nan 0.000 0.524 688 S N 0.621 116.404 115.700 0.139 0.000 2.593 688 S HA 0.463 4.932 4.470 -0.001 0.000 0.297 688 S C -1.114 173.557 174.600 0.117 0.000 1.112 688 S CA -0.602 57.689 58.200 0.152 0.000 1.043 688 S CB 1.737 65.114 63.200 0.294 0.000 1.054 688 S HN 0.099 nan 8.310 nan 0.000 0.516 689 L N 3.048 124.337 121.223 0.108 0.000 2.307 689 L HA 0.683 5.023 4.340 -0.001 0.000 0.282 689 L C -1.185 175.791 176.870 0.177 0.000 1.051 689 L CA -0.135 54.761 54.840 0.093 0.000 0.804 689 L CB 1.128 43.210 42.059 0.038 0.000 1.197 689 L HN 0.431 nan 8.230 nan 0.000 0.431 690 V N 6.406 126.406 119.914 0.143 0.000 2.525 690 V HA 0.438 4.557 4.120 -0.001 0.000 0.299 690 V C -0.500 175.662 176.094 0.113 0.000 1.034 690 V CA -0.566 61.831 62.300 0.161 0.000 0.863 690 V CB 1.666 33.555 31.823 0.109 0.000 0.999 690 V HN 0.582 nan 8.190 nan 0.000 0.423 691 L N 5.599 126.884 121.223 0.103 0.000 2.305 691 L HA 0.657 4.997 4.340 -0.001 0.000 0.284 691 L C -0.452 176.425 176.870 0.012 0.000 1.013 691 L CA -0.410 54.465 54.840 0.059 0.000 0.819 691 L CB 1.737 43.828 42.059 0.055 0.000 1.227 691 L HN 0.466 nan 8.230 nan 0.000 0.417 692 M N 2.985 122.548 119.600 -0.061 0.000 1.986 692 M HA 0.184 4.664 4.480 -0.001 0.000 0.247 692 M C -0.777 175.365 176.300 -0.264 0.000 0.851 692 M CA -0.657 54.521 55.300 -0.203 0.000 0.785 692 M CB 1.108 33.465 32.600 -0.406 0.000 1.554 692 M HN 0.461 nan 8.290 nan 0.000 0.361 693 D N 3.311 123.631 120.400 -0.134 0.000 2.434 693 D HA -0.011 4.628 4.640 -0.001 0.000 0.252 693 D C 0.054 176.284 176.300 -0.117 0.000 1.185 693 D CA 0.856 54.798 54.000 -0.097 0.000 0.886 693 D CB 0.642 41.416 40.800 -0.043 0.000 1.148 693 D HN 0.523 nan 8.370 nan 0.000 0.483 694 E N 2.539 122.681 120.200 -0.096 0.000 1.090 694 E HA -0.232 4.117 4.350 -0.001 0.000 0.190 694 E C 0.245 176.874 176.600 0.049 0.000 0.811 694 E CA 0.121 56.527 56.400 0.010 0.000 0.491 694 E CB -1.262 28.496 29.700 0.095 0.000 1.029 694 E HN 0.468 nan 8.360 nan 0.000 0.248 695 I N -2.421 118.141 120.570 -0.015 0.000 2.662 695 I HA 0.544 4.714 4.170 -0.001 0.000 0.291 695 I C 1.401 177.695 176.117 0.296 0.000 1.046 695 I CA 0.326 61.678 61.300 0.085 0.000 1.361 695 I CB 1.572 39.574 38.000 0.003 0.000 1.429 695 I HN 0.239 nan 8.210 nan 0.000 0.558 696 G N 3.126 112.136 108.800 0.349 0.000 2.192 696 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.193 696 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.193 696 G C 0.369 175.571 174.900 0.503 0.000 0.999 696 G CA -0.489 44.927 45.100 0.526 0.000 0.659 696 G HN 0.736 nan 8.290 nan 0.000 0.503 697 R N -0.082 120.625 120.500 0.346 0.000 2.531 697 R HA 0.489 4.829 4.340 -0.001 0.000 0.273 697 R C 1.401 177.803 176.300 0.169 0.000 1.070 697 R CA 0.660 56.861 56.100 0.169 0.000 1.112 697 R CB 0.770 31.071 30.300 0.002 0.000 1.049 697 R HN 1.251 nan 8.270 nan 0.000 0.508 698 G N 0.778 109.599 108.800 0.036 0.000 2.160 698 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.244 698 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.244 698 G C -0.007 174.721 174.900 -0.286 0.000 1.022 698 G CA 0.533 45.593 45.100 -0.068 0.000 0.741 698 G HN 0.649 nan 8.290 nan 0.000 0.508 699 T N -0.827 113.614 114.554 -0.189 0.000 2.792 699 T HA 0.651 5.000 4.350 -0.001 0.000 0.303 699 T C 0.614 175.295 174.700 -0.032 0.000 1.310 699 T CA 0.691 62.650 62.100 -0.235 0.000 1.007 699 T CB 1.070 69.683 68.868 -0.425 0.000 1.335 699 T HN 1.552 nan 8.240 nan 0.000 0.504 700 S N 1.281 116.965 115.700 -0.028 0.000 2.558 700 S HA 0.032 4.501 4.470 -0.001 0.000 0.291 700 S C 1.480 176.139 174.600 0.099 0.000 1.306 700 S CA 0.523 58.728 58.200 0.009 0.000 1.056 700 S CB 0.275 63.469 63.200 -0.010 0.000 0.836 700 S HN 0.772 nan 8.310 nan 0.000 0.504 701 T N 2.381 116.988 114.554 0.090 0.000 2.721 701 T HA -0.148 4.201 4.350 -0.001 0.000 0.268 701 T C 1.156 176.064 174.700 0.346 0.000 1.038 701 T CA 1.936 64.178 62.100 0.237 0.000 1.145 701 T CB -0.521 68.438 68.868 0.152 0.000 0.858 701 T HN 0.709 nan 8.240 nan 0.000 0.459 702 Y N 1.373 121.715 120.300 0.070 0.000 2.176 702 Y HA 0.028 4.578 4.550 -0.001 0.000 0.291 702 Y C 2.428 178.331 175.900 0.005 0.000 1.122 702 Y CA -0.049 58.058 58.100 0.012 0.000 1.128 702 Y CB -1.152 37.305 38.460 -0.004 0.000 1.005 702 Y HN 0.168 nan 8.280 nan 0.000 0.509 703 D N -0.633 119.889 120.400 0.204 0.000 2.190 703 D HA -0.142 4.498 4.640 -0.001 0.000 0.200 703 D C 2.352 178.752 176.300 0.167 0.000 0.992 703 D CA 1.534 55.622 54.000 0.147 0.000 0.854 703 D CB -0.494 40.380 40.800 0.123 0.000 0.936 703 D HN 0.421 nan 8.370 nan 0.000 0.462 704 G N -0.225 108.700 108.800 0.208 0.000 2.426 704 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.214 704 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.214 704 G C 1.451 176.354 174.900 0.005 0.000 1.156 704 G CA 0.177 45.449 45.100 0.287 0.000 0.802 704 G HN 0.226 nan 8.290 nan 0.000 0.534 705 L N 1.514 122.550 121.223 -0.312 0.000 2.056 705 L HA 0.052 4.392 4.340 -0.001 0.000 0.207 705 L C 2.796 179.532 176.870 -0.223 0.000 1.078 705 L CA 2.223 56.634 54.840 -0.714 0.000 0.749 705 L CB -0.799 40.955 42.059 -0.508 0.000 0.901 705 L HN 0.160 nan 8.230 nan 0.000 0.433 706 S N -0.310 115.331 115.700 -0.099 0.000 2.370 706 S HA -0.176 4.294 4.470 -0.001 0.000 0.226 706 S C 1.990 176.626 174.600 0.059 0.000 1.033 706 S CA 1.741 59.921 58.200 -0.034 0.000 1.011 706 S CB -0.493 62.686 63.200 -0.036 0.000 0.852 706 S HN 0.460 nan 8.310 nan 0.000 0.457 707 L N 0.784 122.053 121.223 0.077 0.000 2.072 707 L HA -0.068 4.272 4.340 -0.001 0.000 0.205 707 L C 2.746 179.696 176.870 0.133 0.000 1.079 707 L CA 1.066 55.971 54.840 0.109 0.000 0.752 707 L CB -0.572 41.576 42.059 0.149 0.000 0.906 707 L HN 0.345 nan 8.230 nan 0.000 0.436 708 A N -0.671 122.237 122.820 0.147 0.000 1.898 708 A HA -0.257 4.062 4.320 -0.001 0.000 0.216 708 A C 2.133 179.761 177.584 0.072 0.000 1.181 708 A CA 1.190 53.372 52.037 0.241 0.000 0.620 708 A CB -0.897 18.274 19.000 0.284 0.000 0.819 708 A HN 0.633 nan 8.150 nan 0.000 0.442 709 W N 0.688 121.908 121.300 -0.134 0.000 2.353 709 W HA -0.186 4.474 4.660 -0.001 0.000 0.319 709 W C 2.501 178.932 176.519 -0.147 0.000 1.207 709 W CA 2.201 59.443 57.345 -0.171 0.000 1.291 709 W CB -0.660 28.702 29.460 -0.164 0.000 1.159 709 W HN 0.418 nan 8.180 nan 0.000 0.478 710 A N 0.137 123.080 122.820 0.205 0.000 1.948 710 A HA -0.279 4.040 4.320 -0.001 0.000 0.220 710 A C 2.163 179.740 177.584 -0.013 0.000 1.177 710 A CA 2.159 54.255 52.037 0.098 0.000 0.636 710 A CB -1.442 17.605 19.000 0.078 0.000 0.815 710 A HN 0.403 nan 8.150 nan 0.000 0.449 711 C N -1.497 117.792 119.300 -0.019 0.000 2.473 711 C HA 0.126 4.586 4.460 -0.001 0.000 0.279 711 C C 3.355 178.244 174.990 -0.169 0.000 1.250 711 C CA 0.793 59.791 59.018 -0.034 0.000 1.713 711 C CB -1.302 26.508 27.740 0.117 0.000 2.066 711 C HN 0.731 nan 8.230 nan 0.000 0.474 712 A N 0.201 122.775 122.820 -0.410 0.000 1.986 712 A HA -0.284 4.036 4.320 -0.001 0.000 0.220 712 A C 1.990 179.318 177.584 -0.428 0.000 1.171 712 A CA 2.295 53.947 52.037 -0.641 0.000 0.640 712 A CB -0.705 17.680 19.000 -1.025 0.000 0.811 712 A HN 0.763 nan 8.150 nan 0.000 0.451 713 E N -0.145 119.832 120.200 -0.372 0.000 2.051 713 E HA -0.250 4.100 4.350 -0.001 0.000 0.192 713 E C 1.924 178.426 176.600 -0.162 0.000 0.991 713 E CA 1.545 57.787 56.400 -0.265 0.000 0.799 713 E CB -0.263 29.341 29.700 -0.160 0.000 0.748 713 E HN 0.741 nan 8.360 nan 0.000 0.449 714 N N -0.643 117.982 118.700 -0.126 0.000 2.270 714 N HA -0.090 4.649 4.740 -0.001 0.000 0.181 714 N C 1.813 177.265 175.510 -0.096 0.000 1.016 714 N CA 0.673 53.668 53.050 -0.091 0.000 0.870 714 N CB 0.016 38.458 38.487 -0.076 0.000 0.979 714 N HN 0.173 nan 8.380 nan 0.000 0.431 715 L N -0.327 120.827 121.223 -0.116 0.000 2.131 715 L HA 0.074 4.413 4.340 -0.001 0.000 0.206 715 L C 2.181 178.990 176.870 -0.103 0.000 1.087 715 L CA 0.953 55.736 54.840 -0.096 0.000 0.767 715 L CB -0.311 41.704 42.059 -0.074 0.000 0.917 715 L HN 0.263 nan 8.230 nan 0.000 0.441 716 A N -0.741 121.992 122.820 -0.146 0.000 2.167 716 A HA -0.088 4.232 4.320 -0.001 0.000 0.214 716 A C 1.586 179.105 177.584 -0.107 0.000 1.151 716 A CA 1.333 53.286 52.037 -0.139 0.000 0.735 716 A CB -0.343 18.538 19.000 -0.198 0.000 0.802 716 A HN 0.553 nan 8.150 nan 0.000 0.467 717 N N -1.895 116.748 118.700 -0.095 0.000 3.046 717 N HA 0.046 4.785 4.740 -0.001 0.000 0.240 717 N C 1.584 177.063 175.510 -0.052 0.000 1.017 717 N CA 0.050 53.059 53.050 -0.070 0.000 1.126 717 N CB 0.040 38.487 38.487 -0.066 0.000 1.642 717 N HN 0.112 nan 8.380 nan 0.000 0.548 718 K N 1.401 121.772 120.400 -0.048 0.000 2.147 718 K HA -0.007 4.313 4.320 -0.001 0.000 0.205 718 K C 1.492 178.076 176.600 -0.027 0.000 1.049 718 K CA 1.175 57.442 56.287 -0.033 0.000 0.936 718 K CB 0.103 32.586 32.500 -0.030 0.000 0.722 718 K HN 0.242 nan 8.250 nan 0.000 0.446 719 I N -0.457 120.091 120.570 -0.037 0.000 3.300 719 I HA -0.081 4.089 4.170 -0.001 0.000 0.279 719 I C 0.634 176.731 176.117 -0.033 0.000 1.172 719 I CA 0.218 61.502 61.300 -0.027 0.000 1.431 719 I CB 0.267 38.246 38.000 -0.035 0.000 1.240 719 I HN 0.036 nan 8.210 nan 0.000 0.453 720 K N 0.070 120.442 120.400 -0.047 0.000 3.547 720 K HA -0.174 4.145 4.320 -0.001 0.000 0.309 720 K C 0.495 177.063 176.600 -0.052 0.000 1.324 720 K CA 0.438 56.691 56.287 -0.056 0.000 0.988 720 K CB -1.903 30.560 32.500 -0.061 0.000 1.261 720 K HN 0.390 nan 8.250 nan 0.000 0.444 721 A N 1.261 124.061 122.820 -0.034 0.000 2.507 721 A HA 0.222 4.542 4.320 -0.001 0.000 0.235 721 A C 0.582 178.163 177.584 -0.005 0.000 1.070 721 A CA 0.069 52.100 52.037 -0.011 0.000 0.768 721 A CB 0.136 19.149 19.000 0.022 0.000 1.011 721 A HN 0.292 nan 8.150 nan 0.000 0.502 722 L N 2.568 123.794 121.223 0.004 0.000 2.515 722 L HA 0.166 4.505 4.340 -0.001 0.000 0.281 722 L C 0.127 177.023 176.870 0.043 0.000 1.131 722 L CA 0.196 55.043 54.840 0.013 0.000 0.905 722 L CB -0.527 41.537 42.059 0.008 0.000 1.246 722 L HN 0.689 nan 8.230 nan 0.000 0.463 723 T N 4.237 118.820 114.554 0.049 0.000 2.856 723 T HA 0.592 4.941 4.350 -0.001 0.000 0.283 723 T C -0.148 174.618 174.700 0.109 0.000 1.008 723 T CA -0.548 61.603 62.100 0.086 0.000 0.997 723 T CB 1.816 70.743 68.868 0.099 0.000 0.992 723 T HN 0.251 nan 8.240 nan 0.000 0.454 724 L N 3.036 124.335 121.223 0.127 0.000 2.298 724 L HA 0.531 4.870 4.340 -0.001 0.000 0.284 724 L C -0.936 176.038 176.870 0.174 0.000 1.013 724 L CA -0.741 54.194 54.840 0.158 0.000 0.824 724 L CB 0.856 43.008 42.059 0.155 0.000 1.221 724 L HN 0.603 nan 8.230 nan 0.000 0.418 725 F N 3.552 123.529 119.950 0.045 0.000 2.311 725 F HA 0.612 5.138 4.527 -0.000 0.000 0.371 725 F C 0.568 176.397 175.800 0.048 0.000 1.083 725 F CA -0.642 57.377 58.000 0.032 0.000 1.113 725 F CB 0.848 39.844 39.000 -0.005 0.000 1.349 725 F HN 0.501 nan 8.300 nan 0.000 0.470 726 A N 4.058 126.803 122.820 -0.124 0.000 2.401 726 A HA 0.616 4.935 4.320 -0.001 0.000 0.259 726 A C 0.035 177.576 177.584 -0.071 0.000 1.103 726 A CA 0.081 52.094 52.037 -0.040 0.000 0.789 726 A CB 0.671 19.649 19.000 -0.036 0.000 1.035 726 A HN 0.673 nan 8.150 nan 0.000 0.491 727 T N -0.224 114.385 114.554 0.091 0.000 2.885 727 T HA 0.443 4.793 4.350 -0.001 0.000 0.322 727 T C 0.528 175.300 174.700 0.121 0.000 1.387 727 T CA -0.177 62.000 62.100 0.129 0.000 1.041 727 T CB 0.729 69.764 68.868 0.280 0.000 1.287 727 T HN 0.850 nan 8.240 nan 0.000 0.491 728 H N 1.381 120.444 119.070 -0.012 0.000 2.553 728 H HA 0.165 4.720 4.556 -0.001 0.000 0.276 728 H C -0.103 175.245 175.328 0.032 0.000 0.979 728 H CA -0.003 56.023 56.048 -0.037 0.000 1.268 728 H CB -0.525 29.144 29.762 -0.154 0.000 1.450 728 H HN 0.485 nan 8.280 nan 0.000 0.527 729 Y N 1.448 121.546 120.300 -0.336 0.000 2.804 729 Y HA -0.098 4.451 4.550 -0.001 0.000 0.338 729 Y C 1.314 177.271 175.900 0.095 0.000 1.252 729 Y CA 0.083 58.129 58.100 -0.090 0.000 1.576 729 Y CB -0.132 38.263 38.460 -0.108 0.000 1.223 729 Y HN 0.100 nan 8.280 nan 0.000 0.536 730 F N 2.112 122.175 119.950 0.188 0.000 2.259 730 F HA -0.104 4.422 4.527 -0.001 0.000 0.298 730 F C 1.648 177.540 175.800 0.154 0.000 1.088 730 F CA 1.222 59.306 58.000 0.140 0.000 1.358 730 F CB 0.136 39.198 39.000 0.104 0.000 1.040 730 F HN 0.494 nan 8.300 nan 0.000 0.505 731 E N 0.573 120.922 120.200 0.249 0.000 2.118 731 E HA -0.191 4.159 4.350 -0.001 0.000 0.195 731 E C 2.210 178.915 176.600 0.176 0.000 0.992 731 E CA 1.161 57.669 56.400 0.180 0.000 0.804 731 E CB -0.519 29.286 29.700 0.174 0.000 0.741 731 E HN 0.396 nan 8.360 nan 0.000 0.458 732 L N 1.017 122.326 121.223 0.143 0.000 2.456 732 L HA -0.072 4.268 4.340 -0.001 0.000 0.224 732 L C 1.603 178.392 176.870 -0.135 0.000 1.148 732 L CA 1.430 56.282 54.840 0.020 0.000 0.825 732 L CB -1.015 41.063 42.059 0.032 0.000 0.937 732 L HN 0.304 nan 8.230 nan 0.000 0.450 733 T N -3.876 110.548 114.554 -0.217 0.000 3.509 733 T HA 0.009 4.359 4.350 -0.001 0.000 0.250 733 T C 1.146 175.705 174.700 -0.234 0.000 1.076 733 T CA 0.007 61.930 62.100 -0.294 0.000 0.966 733 T CB 0.048 68.594 68.868 -0.536 0.000 1.046 733 T HN 0.257 nan 8.240 nan 0.000 0.591 734 Q N -0.115 119.606 119.800 -0.131 0.000 2.189 734 Q HA 0.384 4.723 4.340 -0.001 0.000 0.223 734 Q C 1.724 177.679 176.000 -0.076 0.000 0.828 734 Q CA -0.027 55.752 55.803 -0.040 0.000 0.967 734 Q CB 0.254 29.057 28.738 0.110 0.000 1.139 734 Q HN 0.528 nan 8.270 nan 0.000 0.497 735 L N 0.832 121.918 121.223 -0.227 0.000 2.240 735 L HA -0.036 4.304 4.340 -0.001 0.000 0.211 735 L C -0.705 176.059 176.870 -0.177 0.000 1.106 735 L CA 0.700 55.360 54.840 -0.300 0.000 0.793 735 L CB -1.225 40.543 42.059 -0.484 0.000 0.927 735 L HN 0.055 nan 8.230 nan 0.000 0.446 736 P HA -0.141 nan 4.420 nan 0.000 0.222 736 P C 1.050 178.316 177.300 -0.057 0.000 1.147 736 P CA 1.095 64.144 63.100 -0.085 0.000 0.790 736 P CB 0.099 31.759 31.700 -0.066 0.000 0.780 737 E N -0.942 119.230 120.200 -0.047 0.000 2.415 737 E HA 0.053 4.403 4.350 -0.001 0.000 0.197 737 E C 1.216 177.810 176.600 -0.011 0.000 1.007 737 E CA 0.653 57.041 56.400 -0.019 0.000 0.890 737 E CB -0.005 29.694 29.700 -0.002 0.000 0.891 737 E HN 0.313 nan 8.360 nan 0.000 0.496 738 K N -0.244 120.142 120.400 -0.023 0.000 2.374 738 K HA 0.358 4.677 4.320 -0.001 0.000 0.202 738 K C 0.635 177.211 176.600 -0.040 0.000 1.040 738 K CA 0.094 56.380 56.287 -0.002 0.000 1.085 738 K CB 1.312 33.852 32.500 0.067 0.000 0.873 738 K HN 0.079 nan 8.250 nan 0.000 0.539 739 M N 0.557 120.112 119.600 -0.075 0.000 2.470 739 M HA 0.204 4.684 4.480 -0.001 0.000 0.285 739 M C -0.693 175.561 176.300 -0.076 0.000 1.213 739 M CA -0.586 54.660 55.300 -0.090 0.000 0.901 739 M CB 3.240 35.749 32.600 -0.150 0.000 1.718 739 M HN -0.170 nan 8.290 nan 0.000 0.469 740 E N 0.631 120.792 120.200 -0.065 0.000 2.354 740 E HA 0.307 4.657 4.350 -0.001 0.000 0.269 740 E C 0.684 177.246 176.600 -0.063 0.000 1.036 740 E CA 1.103 57.470 56.400 -0.054 0.000 0.876 740 E CB 1.057 30.731 29.700 -0.043 0.000 1.009 740 E HN 0.900 nan 8.360 nan 0.000 0.416 741 G N 2.612 111.380 108.800 -0.053 0.000 2.176 741 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.252 741 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.252 741 G C -0.229 174.635 174.900 -0.060 0.000 1.024 741 G CA 0.379 45.448 45.100 -0.050 0.000 0.755 741 G HN 0.382 nan 8.290 nan 0.000 0.507 742 V N -0.212 119.658 119.914 -0.073 0.000 2.588 742 V HA 0.896 5.015 4.120 -0.001 0.000 0.304 742 V C 0.327 176.380 176.094 -0.069 0.000 1.042 742 V CA -0.086 62.163 62.300 -0.086 0.000 0.877 742 V CB 1.686 33.422 31.823 -0.144 0.000 0.996 742 V HN 1.311 nan 8.190 nan 0.000 0.425 743 A N 4.214 127.007 122.820 -0.045 0.000 2.485 743 A HA 0.832 5.152 4.320 -0.001 0.000 0.292 743 A C -0.885 176.691 177.584 -0.013 0.000 1.147 743 A CA -0.813 51.208 52.037 -0.026 0.000 0.750 743 A CB 1.678 20.675 19.000 -0.006 0.000 1.331 743 A HN 0.651 nan 8.150 nan 0.000 0.419 744 N N 0.089 118.789 118.700 -0.000 0.000 2.400 744 N HA 0.595 5.334 4.740 -0.001 0.000 0.288 744 N C -0.824 174.717 175.510 0.052 0.000 1.024 744 N CA -0.006 53.056 53.050 0.020 0.000 0.894 744 N CB 1.777 40.270 38.487 0.010 0.000 1.173 744 N HN 0.712 nan 8.380 nan 0.000 0.487 745 V N -0.314 119.636 119.914 0.059 0.000 3.130 745 V HA 0.686 4.805 4.120 -0.001 0.000 0.310 745 V C -0.502 175.648 176.094 0.093 0.000 1.158 745 V CA -0.889 61.434 62.300 0.038 0.000 1.029 745 V CB 2.386 34.174 31.823 -0.058 0.000 1.057 745 V HN 0.824 nan 8.190 nan 0.000 0.436 746 H N 1.139 120.196 119.070 -0.021 0.000 3.008 746 H HA 0.731 5.287 4.556 -0.001 0.000 0.354 746 H C -2.125 173.192 175.328 -0.018 0.000 1.252 746 H CA -1.233 54.819 56.048 0.007 0.000 1.117 746 H CB 2.130 31.928 29.762 0.060 0.000 1.857 746 H HN 0.675 nan 8.280 nan 0.000 0.547 747 L N 2.431 123.702 121.223 0.080 0.000 2.322 747 L HA 0.228 4.567 4.340 -0.001 0.000 0.281 747 L C -0.289 176.686 176.870 0.174 0.000 1.014 747 L CA -0.940 53.910 54.840 0.017 0.000 0.815 747 L CB 1.610 43.676 42.059 0.012 0.000 1.247 747 L HN 0.673 nan 8.230 nan 0.000 0.421 748 D N 2.168 122.628 120.400 0.099 0.000 2.423 748 D HA 0.650 5.290 4.640 -0.001 0.000 0.255 748 D C -0.462 175.804 176.300 -0.056 0.000 1.174 748 D CA -0.557 53.517 54.000 0.123 0.000 1.008 748 D CB 1.563 42.423 40.800 0.102 0.000 1.101 748 D HN 0.508 nan 8.370 nan 0.000 0.516 749 A N -0.433 122.250 122.820 -0.227 0.000 2.515 749 A HA 0.554 4.873 4.320 -0.001 0.000 0.298 749 A C -1.687 175.740 177.584 -0.262 0.000 1.059 749 A CA -0.787 50.989 52.037 -0.434 0.000 0.698 749 A CB 1.411 19.805 19.000 -1.010 0.000 1.289 749 A HN 0.406 nan 8.150 nan 0.000 0.404 750 L N 0.653 121.750 121.223 -0.209 0.000 2.329 750 L HA 0.529 4.868 4.340 -0.001 0.000 0.279 750 L C 0.132 176.969 176.870 -0.055 0.000 1.014 750 L CA 0.098 54.894 54.840 -0.072 0.000 0.814 750 L CB 1.569 43.605 42.059 -0.038 0.000 1.257 750 L HN 0.759 nan 8.230 nan 0.000 0.424 751 E N 3.167 123.368 120.200 0.001 0.000 2.462 751 E HA 0.112 4.462 4.350 -0.001 0.000 0.255 751 E C -0.590 175.991 176.600 -0.031 0.000 1.311 751 E CA -0.202 56.178 56.400 -0.033 0.000 1.629 751 E CB -0.219 29.491 29.700 0.016 0.000 1.510 751 E HN 0.715 nan 8.360 nan 0.000 0.438 752 H N -1.543 117.482 119.070 -0.076 0.000 2.598 752 H HA 0.375 4.930 4.556 -0.001 0.000 0.371 752 H C 1.487 176.785 175.328 -0.049 0.000 1.468 752 H CA -0.031 55.984 56.048 -0.055 0.000 1.454 752 H CB 0.343 30.070 29.762 -0.058 0.000 1.579 752 H HN 0.137 nan 8.280 nan 0.000 0.611 753 G N 0.217 108.981 108.800 -0.059 0.000 2.738 753 G HA2 -0.445 3.514 3.960 -0.001 0.000 0.391 753 G HA3 -0.445 3.514 3.960 -0.001 0.000 0.391 753 G C 0.649 175.443 174.900 -0.177 0.000 1.049 753 G CA 1.398 46.437 45.100 -0.101 0.000 0.855 753 G HN 0.833 nan 8.290 nan 0.000 0.757 754 D N 0.292 120.558 120.400 -0.224 0.000 2.469 754 D HA 0.253 4.893 4.640 -0.001 0.000 0.213 754 D C 0.733 176.906 176.300 -0.212 0.000 1.135 754 D CA 0.764 54.663 54.000 -0.169 0.000 0.834 754 D CB 0.677 41.420 40.800 -0.096 0.000 1.009 754 D HN 0.380 nan 8.370 nan 0.000 0.507 755 T N 0.297 114.626 114.554 -0.375 0.000 2.910 755 T HA 0.512 4.862 4.350 -0.001 0.000 0.287 755 T C -0.061 174.400 174.700 -0.399 0.000 1.050 755 T CA -0.614 61.293 62.100 -0.321 0.000 1.011 755 T CB 2.513 71.236 68.868 -0.242 0.000 1.195 755 T HN -0.096 nan 8.240 nan 0.000 0.540 756 I N 1.269 121.651 120.570 -0.312 0.000 2.378 756 I HA 0.634 4.804 4.170 -0.001 0.000 0.291 756 I C -0.404 175.458 176.117 -0.426 0.000 0.992 756 I CA -1.104 59.965 61.300 -0.384 0.000 1.154 756 I CB 0.826 38.531 38.000 -0.493 0.000 1.315 756 I HN 0.778 nan 8.210 nan 0.000 0.448 757 A N 7.348 130.020 122.820 -0.247 0.000 2.310 757 A HA 0.410 4.730 4.320 -0.001 0.000 0.300 757 A C -0.810 176.539 177.584 -0.392 0.000 1.269 757 A CA -0.257 51.665 52.037 -0.193 0.000 0.909 757 A CB -0.280 18.692 19.000 -0.047 0.000 1.144 757 A HN 0.631 nan 8.150 nan 0.000 0.540 758 F N 4.180 124.004 119.950 -0.210 0.000 2.566 758 F HA 0.156 4.682 4.527 -0.001 0.000 0.349 758 F C 0.794 176.239 175.800 -0.591 0.000 1.245 758 F CA -0.653 57.151 58.000 -0.326 0.000 1.169 758 F CB -0.032 38.836 39.000 -0.220 0.000 1.470 758 F HN 0.442 nan 8.300 nan 0.000 0.634 759 M N 2.404 121.826 119.600 -0.298 0.000 2.199 759 M HA -0.168 4.312 4.480 -0.001 0.000 0.346 759 M C 0.664 176.713 176.300 -0.417 0.000 1.120 759 M CA 1.062 56.165 55.300 -0.328 0.000 0.932 759 M CB -0.400 32.101 32.600 -0.164 0.000 1.724 759 M HN 0.547 nan 8.290 nan 0.000 0.465 760 H N -0.904 118.117 119.070 -0.082 0.000 2.475 760 H HA 0.296 4.851 4.556 -0.001 0.000 0.276 760 H C -0.018 175.243 175.328 -0.112 0.000 1.126 760 H CA -0.324 55.657 56.048 -0.112 0.000 1.023 760 H CB 0.720 30.365 29.762 -0.196 0.000 1.669 760 H HN 0.559 nan 8.280 nan 0.000 0.573 761 S N 1.423 117.097 115.700 -0.044 0.000 2.457 761 S HA 0.262 4.732 4.470 -0.001 0.000 0.289 761 S C 0.015 174.536 174.600 -0.132 0.000 1.163 761 S CA -0.671 57.493 58.200 -0.061 0.000 1.078 761 S CB 0.530 63.694 63.200 -0.061 0.000 0.987 761 S HN 0.119 nan 8.310 nan 0.000 0.482 762 V N 7.141 126.951 119.914 -0.172 0.000 2.339 762 V HA 0.268 4.387 4.120 -0.001 0.000 0.261 762 V C 0.363 176.304 176.094 -0.256 0.000 1.058 762 V CA -0.465 61.654 62.300 -0.302 0.000 0.897 762 V CB 0.687 32.197 31.823 -0.523 0.000 1.052 762 V HN 0.770 nan 8.190 nan 0.000 0.480 763 Q N 2.243 121.819 119.800 -0.372 0.000 2.199 763 Q HA 0.409 4.748 4.340 -0.001 0.000 0.232 763 Q C -0.502 175.331 176.000 -0.277 0.000 0.969 763 Q CA -0.654 54.956 55.803 -0.320 0.000 0.925 763 Q CB 1.368 29.879 28.738 -0.377 0.000 1.198 763 Q HN 0.566 nan 8.270 nan 0.000 0.494 764 D N -0.465 119.886 120.400 -0.082 0.000 2.354 764 D HA 0.468 5.108 4.640 -0.001 0.000 0.247 764 D C 0.497 176.898 176.300 0.168 0.000 1.138 764 D CA 0.619 54.632 54.000 0.021 0.000 0.958 764 D CB 1.017 41.837 40.800 0.033 0.000 1.144 764 D HN 0.670 nan 8.370 nan 0.000 0.458 765 G N -0.557 108.338 108.800 0.158 0.000 2.795 765 G HA2 0.192 4.152 3.960 -0.001 0.000 0.664 765 G HA3 0.192 4.152 3.960 -0.001 0.000 0.664 765 G C -0.134 174.912 174.900 0.244 0.000 1.381 765 G CA -0.314 44.891 45.100 0.175 0.000 0.853 765 G HN 0.679 nan 8.290 nan 0.000 0.545 766 A N -0.054 122.822 122.820 0.093 0.000 2.267 766 A HA 0.934 5.253 4.320 -0.001 0.000 0.271 766 A C 1.093 178.619 177.584 -0.096 0.000 1.131 766 A CA 1.088 53.156 52.037 0.051 0.000 0.818 766 A CB 0.216 19.203 19.000 -0.022 0.000 1.118 766 A HN 2.633 nan 8.150 nan 0.000 0.501 767 A N -0.313 122.505 122.820 -0.004 0.000 2.309 767 A HA 0.519 4.839 4.320 -0.001 0.000 0.298 767 A C 0.942 178.554 177.584 0.048 0.000 1.165 767 A CA 0.206 52.178 52.037 -0.108 0.000 0.821 767 A CB 0.261 19.323 19.000 0.103 0.000 1.102 767 A HN 1.681 nan 8.150 nan 0.000 0.500 768 S N 1.197 116.859 115.700 -0.063 0.000 2.557 768 S HA 0.273 4.743 4.470 -0.001 0.000 0.223 768 S C 0.308 174.850 174.600 -0.098 0.000 0.969 768 S CA -0.062 58.111 58.200 -0.045 0.000 0.927 768 S CB -0.198 62.973 63.200 -0.049 0.000 0.806 768 S HN 0.624 nan 8.310 nan 0.000 0.489 769 K N 1.508 121.857 120.400 -0.085 0.000 2.498 769 K HA 0.446 4.765 4.320 -0.001 0.000 0.254 769 K C -1.375 175.097 176.600 -0.212 0.000 0.933 769 K CA -0.409 55.743 56.287 -0.224 0.000 0.806 769 K CB 2.276 34.560 32.500 -0.361 0.000 1.301 769 K HN 0.264 nan 8.250 nan 0.000 0.432 770 S N 1.303 116.828 115.700 -0.291 0.000 2.478 770 S HA 0.378 4.848 4.470 -0.001 0.000 0.312 770 S C -0.458 174.004 174.600 -0.231 0.000 1.094 770 S CA -0.631 57.491 58.200 -0.130 0.000 1.081 770 S CB 0.344 63.516 63.200 -0.047 0.000 1.007 770 S HN 0.626 nan 8.310 nan 0.000 0.475 771 Y N 2.583 122.938 120.300 0.092 0.000 2.683 771 Y HA 0.350 4.900 4.550 -0.001 0.000 0.297 771 Y C 1.887 177.853 175.900 0.109 0.000 1.147 771 Y CA -0.435 57.731 58.100 0.111 0.000 1.274 771 Y CB -0.015 38.569 38.460 0.206 0.000 1.143 771 Y HN 0.892 nan 8.280 nan 0.000 0.527 772 G N 0.416 109.308 108.800 0.153 0.000 2.505 772 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.214 772 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.214 772 G C 1.575 176.521 174.900 0.077 0.000 1.237 772 G CA 0.585 45.746 45.100 0.102 0.000 0.802 772 G HN 0.355 nan 8.290 nan 0.000 0.549 773 L N 0.969 122.214 121.223 0.038 0.000 2.081 773 L HA -0.202 4.137 4.340 -0.001 0.000 0.212 773 L C 3.436 180.326 176.870 0.033 0.000 1.080 773 L CA 1.194 56.046 54.840 0.021 0.000 0.754 773 L CB -0.552 41.504 42.059 -0.005 0.000 0.893 773 L HN 0.348 nan 8.230 nan 0.000 0.433 774 A N -0.356 122.496 122.820 0.054 0.000 1.908 774 A HA -0.164 4.156 4.320 -0.001 0.000 0.218 774 A C 2.318 179.945 177.584 0.072 0.000 1.181 774 A CA 1.957 54.035 52.037 0.069 0.000 0.627 774 A CB -0.758 18.323 19.000 0.135 0.000 0.818 774 A HN 0.230 nan 8.150 nan 0.000 0.445 775 V N -0.329 119.653 119.914 0.112 0.000 2.453 775 V HA -0.189 3.931 4.120 -0.001 0.000 0.247 775 V C 3.039 179.169 176.094 0.059 0.000 1.048 775 V CA 1.669 64.032 62.300 0.104 0.000 1.049 775 V CB -1.186 30.732 31.823 0.158 0.000 0.672 775 V HN 0.625 nan 8.190 nan 0.000 0.457 776 A N 0.351 123.200 122.820 0.048 0.000 1.892 776 A HA -0.231 4.088 4.320 -0.001 0.000 0.218 776 A C 2.451 180.045 177.584 0.017 0.000 1.188 776 A CA 2.380 54.433 52.037 0.027 0.000 0.631 776 A CB -0.891 18.121 19.000 0.020 0.000 0.822 776 A HN 0.593 nan 8.150 nan 0.000 0.447 777 A N -0.375 122.453 122.820 0.014 0.000 1.940 777 A HA -0.070 4.249 4.320 -0.001 0.000 0.219 777 A C 2.068 179.652 177.584 -0.000 0.000 1.176 777 A CA 1.595 53.634 52.037 0.003 0.000 0.631 777 A CB -0.582 18.417 19.000 -0.002 0.000 0.814 777 A HN 0.511 nan 8.150 nan 0.000 0.446 778 L N -1.371 119.854 121.223 0.004 0.000 2.478 778 L HA 0.006 4.346 4.340 -0.001 0.000 0.223 778 L C 2.541 179.414 176.870 0.005 0.000 1.140 778 L CA 0.643 55.481 54.840 -0.002 0.000 0.842 778 L CB -0.315 41.740 42.059 -0.006 0.000 0.953 778 L HN 0.424 nan 8.230 nan 0.000 0.452 779 A N -0.414 122.413 122.820 0.012 0.000 2.238 779 A HA 0.393 4.713 4.320 -0.001 0.000 0.210 779 A C 1.683 179.271 177.584 0.007 0.000 1.179 779 A CA 0.729 52.774 52.037 0.013 0.000 0.827 779 A CB -0.006 19.005 19.000 0.018 0.000 0.856 779 A HN 0.460 nan 8.150 nan 0.000 0.488 780 G N -1.607 107.195 108.800 0.003 0.000 2.168 780 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.197 780 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.197 780 G C 0.092 174.992 174.900 0.000 0.000 0.997 780 G CA -0.082 45.019 45.100 0.001 0.000 0.658 780 G HN 0.693 nan 8.290 nan 0.000 0.513 781 V N 3.342 123.257 119.914 0.002 0.000 2.446 781 V HA 0.300 4.419 4.120 -0.001 0.000 0.276 781 V C -1.100 174.993 176.094 -0.002 0.000 1.030 781 V CA -0.987 61.313 62.300 0.001 0.000 1.033 781 V CB 0.665 32.490 31.823 0.002 0.000 0.993 781 V HN 0.260 nan 8.190 nan 0.000 0.477 782 P HA -0.051 nan 4.420 nan 0.000 0.261 782 P C 0.796 178.093 177.300 -0.005 0.000 1.158 782 P CA 0.341 63.438 63.100 -0.004 0.000 0.758 782 P CB 0.530 32.228 31.700 -0.004 0.000 0.763 783 K N 2.881 123.278 120.400 -0.006 0.000 2.077 783 K HA -0.263 4.057 4.320 -0.001 0.000 0.213 783 K C 1.992 178.587 176.600 -0.008 0.000 1.051 783 K CA 2.474 58.757 56.287 -0.007 0.000 0.929 783 K CB -0.147 32.348 32.500 -0.008 0.000 0.715 783 K HN 0.634 nan 8.250 nan 0.000 0.451 784 E N 0.395 120.591 120.200 -0.007 0.000 2.097 784 E HA -0.202 4.147 4.350 -0.001 0.000 0.196 784 E C 1.903 178.499 176.600 -0.008 0.000 1.000 784 E CA 1.597 57.993 56.400 -0.008 0.000 0.804 784 E CB -0.449 29.247 29.700 -0.007 0.000 0.740 784 E HN 0.026 nan 8.360 nan 0.000 0.454 785 V N 0.979 120.889 119.914 -0.007 0.000 2.488 785 V HA -0.156 3.964 4.120 -0.001 0.000 0.246 785 V C 2.304 178.393 176.094 -0.008 0.000 1.046 785 V CA 1.353 63.649 62.300 -0.007 0.000 1.053 785 V CB -0.307 31.513 31.823 -0.006 0.000 0.679 785 V HN 0.274 nan 8.190 nan 0.000 0.458 786 I N -0.167 120.399 120.570 -0.007 0.000 2.315 786 I HA -0.253 3.916 4.170 -0.001 0.000 0.248 786 I C 2.516 178.626 176.117 -0.011 0.000 1.117 786 I CA 1.585 62.880 61.300 -0.008 0.000 1.404 786 I CB -0.288 37.708 38.000 -0.007 0.000 1.071 786 I HN 0.238 nan 8.210 nan 0.000 0.419 787 K N 0.920 121.313 120.400 -0.011 0.000 2.063 787 K HA -0.240 4.080 4.320 -0.001 0.000 0.208 787 K C 2.311 178.903 176.600 -0.013 0.000 1.048 787 K CA 1.528 57.807 56.287 -0.013 0.000 0.928 787 K CB -0.036 32.456 32.500 -0.012 0.000 0.713 787 K HN 0.054 nan 8.250 nan 0.000 0.442 788 R N -0.182 120.311 120.500 -0.012 0.000 2.115 788 R HA 0.004 4.344 4.340 -0.001 0.000 0.226 788 R C 1.942 178.234 176.300 -0.012 0.000 1.100 788 R CA 1.177 57.270 56.100 -0.011 0.000 0.980 788 R CB -0.147 30.147 30.300 -0.010 0.000 0.875 788 R HN 0.260 nan 8.270 nan 0.000 0.445 789 A N 0.757 123.570 122.820 -0.012 0.000 1.873 789 A HA -0.164 4.156 4.320 -0.001 0.000 0.215 789 A C 2.099 179.674 177.584 -0.016 0.000 1.186 789 A CA 1.491 53.520 52.037 -0.012 0.000 0.616 789 A CB -0.525 18.469 19.000 -0.010 0.000 0.823 789 A HN 0.274 nan 8.150 nan 0.000 0.442 790 R N 0.243 120.732 120.500 -0.018 0.000 2.117 790 R HA -0.217 4.123 4.340 -0.001 0.000 0.243 790 R C 2.285 178.570 176.300 -0.025 0.000 1.143 790 R CA 2.344 58.430 56.100 -0.025 0.000 0.968 790 R CB -0.808 29.477 30.300 -0.026 0.000 0.863 790 R HN 0.735 nan 8.270 nan 0.000 0.444 791 Q N -0.166 119.622 119.800 -0.020 0.000 2.020 791 Q HA -0.232 4.107 4.340 -0.001 0.000 0.202 791 Q C 1.731 177.720 176.000 -0.018 0.000 0.982 791 Q CA 2.161 57.953 55.803 -0.019 0.000 0.838 791 Q CB -0.171 28.558 28.738 -0.015 0.000 0.899 791 Q HN 0.171 nan 8.270 nan 0.000 0.423 792 K N 0.129 120.520 120.400 -0.015 0.000 2.211 792 K HA -0.127 4.192 4.320 -0.001 0.000 0.203 792 K C 1.874 178.466 176.600 -0.013 0.000 1.050 792 K CA 0.732 57.011 56.287 -0.013 0.000 0.945 792 K CB -0.387 32.106 32.500 -0.012 0.000 0.732 792 K HN 0.270 nan 8.250 nan 0.000 0.451 793 L N 1.116 122.328 121.223 -0.017 0.000 1.961 793 L HA -0.082 4.257 4.340 -0.001 0.000 0.210 793 L C 2.257 179.112 176.870 -0.025 0.000 1.072 793 L CA 1.793 56.621 54.840 -0.020 0.000 0.749 793 L CB -0.876 41.167 42.059 -0.028 0.000 0.889 793 L HN 0.186 nan 8.230 nan 0.000 0.432 794 R N -0.063 120.418 120.500 -0.032 0.000 2.134 794 R HA -0.275 4.064 4.340 -0.001 0.000 0.248 794 R C 2.181 178.466 176.300 -0.025 0.000 1.143 794 R CA 2.423 58.502 56.100 -0.035 0.000 0.957 794 R CB -0.457 29.824 30.300 -0.033 0.000 0.867 794 R HN 0.809 nan 8.270 nan 0.000 0.441 795 E N -0.277 119.913 120.200 -0.017 0.000 2.285 795 E HA -0.127 4.223 4.350 -0.001 0.000 0.194 795 E C 2.019 178.618 176.600 -0.003 0.000 0.997 795 E CA 0.632 57.026 56.400 -0.010 0.000 0.845 795 E CB -0.140 29.554 29.700 -0.009 0.000 0.782 795 E HN 0.396 nan 8.360 nan 0.000 0.491 796 L N 0.611 121.834 121.223 -0.001 0.000 2.209 796 L HA 0.005 4.345 4.340 -0.001 0.000 0.207 796 L C 2.245 179.128 176.870 0.021 0.000 1.094 796 L CA 0.838 55.685 54.840 0.012 0.000 0.790 796 L CB -0.041 42.026 42.059 0.013 0.000 0.932 796 L HN 0.159 nan 8.230 nan 0.000 0.447 797 E N -0.258 119.942 120.200 0.000 0.000 2.158 797 E HA -0.110 4.240 4.350 -0.001 0.000 0.191 797 E C 1.408 178.000 176.600 -0.013 0.000 0.982 797 E CA 1.127 57.519 56.400 -0.013 0.000 0.823 797 E CB 0.126 29.791 29.700 -0.059 0.000 0.766 797 E HN 0.368 nan 8.360 nan 0.000 0.468 798 S N 0.108 115.801 115.700 -0.012 0.000 2.667 798 S HA 0.201 4.670 4.470 -0.001 0.000 0.251 798 S C 1.078 175.683 174.600 0.008 0.000 1.075 798 S CA -0.193 58.003 58.200 -0.007 0.000 1.130 798 S CB -0.458 62.733 63.200 -0.015 0.000 0.795 798 S HN 0.148 nan 8.310 nan 0.000 0.462 799 I N -0.656 119.927 120.570 0.022 0.000 4.139 799 I HA 0.210 4.380 4.170 -0.001 0.000 0.320 799 I C 1.244 177.385 176.117 0.041 0.000 1.290 799 I CA -0.055 61.264 61.300 0.031 0.000 1.253 799 I CB 0.328 38.355 38.000 0.046 0.000 1.122 799 I HN 0.303 nan 8.210 nan 0.000 0.421 800 S N 0.000 115.731 115.700 0.052 0.000 2.498 800 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 800 S CA 0.000 58.246 58.200 0.076 0.000 1.107 800 S CB 0.000 63.269 63.200 0.114 0.000 0.593 800 S HN 0.000 nan 8.310 nan 0.000 0.517