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 2awz_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQPE DATA SEQUENCE KGGRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRAW DATA SEQUENCE RHRARNVRAR LLSRGGRAAI CGKYLFNWAV KTKLKLTPIA XXXXXDLSSW DATA SEQUENCE FTAGYSGGDI YH 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.562 174.600 -0.064 0.000 1.055 1 S CA 0.000 58.174 58.200 -0.044 0.000 1.107 1 S CB 0.000 63.166 63.200 -0.057 0.000 0.593 2 M N 3.078 122.634 119.600 -0.074 0.000 2.200 2 M HA 0.265 4.744 4.480 -0.000 0.000 0.355 2 M C 1.889 178.061 176.300 -0.214 0.000 1.283 2 M CA 0.035 55.273 55.300 -0.104 0.000 1.124 2 M CB 0.715 33.276 32.600 -0.065 0.000 1.625 2 M HN 1.053 nan 8.290 nan 0.000 0.463 3 S N 3.219 118.714 115.700 -0.341 0.000 2.383 3 S HA -0.109 4.361 4.470 -0.000 0.000 0.229 3 S C 0.182 174.337 174.600 -0.742 0.000 1.030 3 S CA 1.027 58.894 58.200 -0.555 0.000 1.002 3 S CB -0.191 62.587 63.200 -0.703 0.000 0.829 3 S HN 0.660 nan 8.310 nan 0.000 0.467 4 Y N -0.573 119.533 120.300 -0.323 0.000 2.597 4 Y HA 0.573 5.123 4.550 -0.000 0.000 0.340 4 Y C -0.384 175.186 175.900 -0.551 0.000 1.097 4 Y CA -1.080 56.699 58.100 -0.536 0.000 1.037 4 Y CB 2.158 40.119 38.460 -0.833 0.000 1.305 4 Y HN -0.173 nan 8.280 nan 0.000 0.463 5 T N 1.403 115.663 114.554 -0.489 0.000 2.937 5 T HA 0.344 4.694 4.350 -0.000 0.000 0.297 5 T C -1.542 172.921 174.700 -0.395 0.000 0.991 5 T CA -0.793 61.120 62.100 -0.312 0.000 0.990 5 T CB 0.408 69.212 68.868 -0.106 0.000 0.991 5 T HN 0.439 nan 8.240 nan 0.000 0.440 6 W N 1.619 122.971 121.300 0.086 0.000 2.551 6 W HA 0.406 5.066 4.660 -0.000 0.000 0.330 6 W C 1.592 178.138 176.519 0.044 0.000 1.063 6 W CA -0.947 56.432 57.345 0.057 0.000 1.222 6 W CB 1.053 30.529 29.460 0.027 0.000 1.349 6 W HN 0.753 nan 8.180 nan 0.000 0.536 7 T N -1.981 112.747 114.554 0.290 0.000 3.035 7 T HA 0.286 4.636 4.350 -0.000 0.000 0.259 7 T C 1.453 176.235 174.700 0.137 0.000 1.078 7 T CA 1.044 63.245 62.100 0.168 0.000 1.132 7 T CB -0.032 68.913 68.868 0.129 0.000 0.900 7 T HN 1.070 nan 8.240 nan 0.000 0.480 8 G N 1.168 110.055 108.800 0.145 0.000 2.380 8 G HA2 0.099 4.059 3.960 -0.000 0.000 0.197 8 G HA3 0.099 4.059 3.960 -0.000 0.000 0.197 8 G C 0.382 175.307 174.900 0.042 0.000 1.001 8 G CA -0.144 44.999 45.100 0.072 0.000 0.668 8 G HN 1.035 nan 8.290 nan 0.000 0.483 9 A N 1.052 123.910 122.820 0.063 0.000 2.483 9 A HA 0.626 4.946 4.320 -0.000 0.000 0.238 9 A C 0.712 178.301 177.584 0.009 0.000 1.070 9 A CA 0.343 52.404 52.037 0.040 0.000 0.770 9 A CB 0.127 19.162 19.000 0.058 0.000 1.008 9 A HN 0.879 nan 8.150 nan 0.000 0.497 10 L N 1.644 122.859 121.223 -0.013 0.000 2.421 10 L HA 0.354 4.694 4.340 -0.000 0.000 0.263 10 L C 0.040 176.885 176.870 -0.041 0.000 1.122 10 L CA -0.436 54.375 54.840 -0.048 0.000 0.804 10 L CB 0.872 42.906 42.059 -0.041 0.000 1.150 10 L HN 0.556 nan 8.230 nan 0.000 0.457 11 I N 1.700 122.225 120.570 -0.076 0.000 2.347 11 I HA 0.080 4.249 4.170 -0.000 0.000 0.294 11 I C 0.505 176.608 176.117 -0.023 0.000 1.090 11 I CA -0.029 61.242 61.300 -0.048 0.000 1.314 11 I CB 0.728 38.677 38.000 -0.086 0.000 1.423 11 I HN 0.671 nan 8.210 nan 0.000 0.503 12 T N 5.057 119.610 114.554 -0.001 0.000 2.929 12 T HA 0.576 4.926 4.350 -0.000 0.000 0.284 12 T C -2.485 172.229 174.700 0.024 0.000 1.014 12 T CA -1.998 60.107 62.100 0.008 0.000 1.051 12 T CB 1.771 70.645 68.868 0.009 0.000 1.028 12 T HN 0.269 nan 8.240 nan 0.000 0.485 13 P HA 0.286 nan 4.420 nan 0.000 0.284 13 P C 0.656 177.980 177.300 0.039 0.000 1.258 13 P CA -0.817 62.306 63.100 0.039 0.000 0.824 13 P CB 0.983 32.706 31.700 0.038 0.000 1.038 14 C N 0.434 119.763 119.300 0.047 0.000 2.906 14 C HA 0.796 5.256 4.460 -0.000 0.000 0.274 14 C C 0.651 175.663 174.990 0.038 0.000 1.257 14 C CA -0.123 58.920 59.018 0.042 0.000 1.695 14 C CB -1.301 26.471 27.740 0.054 0.000 1.958 14 C HN 0.705 nan 8.230 nan 0.000 0.619 15 A N 0.039 122.884 122.820 0.041 0.000 2.540 15 A HA 0.773 5.093 4.320 -0.000 0.000 0.291 15 A C -0.428 177.184 177.584 0.046 0.000 1.083 15 A CA -0.004 52.057 52.037 0.041 0.000 0.650 15 A CB -0.314 18.712 19.000 0.043 0.000 1.292 15 A HN 1.474 nan 8.150 nan 0.000 0.435 16 A N 0.123 122.971 122.820 0.047 0.000 2.540 16 A HA 0.491 4.811 4.320 -0.000 0.000 0.239 16 A C -0.003 177.624 177.584 0.072 0.000 1.061 16 A CA 0.531 52.600 52.037 0.054 0.000 0.758 16 A CB -0.313 18.717 19.000 0.049 0.000 0.991 16 A HN 0.573 nan 8.150 nan 0.000 0.502 17 E N 1.855 122.103 120.200 0.080 0.000 2.141 17 E HA 0.294 4.643 4.350 -0.000 0.000 0.259 17 E C -1.099 175.586 176.600 0.142 0.000 0.883 17 E CA -0.450 56.014 56.400 0.107 0.000 0.744 17 E CB 1.160 30.914 29.700 0.091 0.000 1.150 17 E HN 0.686 nan 8.360 nan 0.000 0.420 18 E N 0.910 121.229 120.200 0.198 0.000 2.316 18 E HA 0.041 4.391 4.350 -0.000 0.000 0.275 18 E C 0.490 177.319 176.600 0.382 0.000 1.029 18 E CA 0.167 56.725 56.400 0.263 0.000 0.871 18 E CB 0.917 30.782 29.700 0.274 0.000 1.022 18 E HN 0.502 nan 8.360 nan 0.000 0.418 19 S N 2.305 118.212 115.700 0.346 0.000 2.575 19 S HA 0.209 4.679 4.470 -0.000 0.000 0.230 19 S C 0.287 175.161 174.600 0.456 0.000 1.062 19 S CA -0.307 58.105 58.200 0.353 0.000 0.913 19 S CB 0.364 63.698 63.200 0.223 0.000 0.837 19 S HN 0.206 nan 8.310 nan 0.000 0.487 20 K N 1.137 121.773 120.400 0.393 0.000 2.156 20 K HA 0.535 4.855 4.320 -0.000 0.000 0.254 20 K C -1.385 175.380 176.600 0.275 0.000 0.950 20 K CA -0.918 55.581 56.287 0.354 0.000 0.849 20 K CB 1.785 34.414 32.500 0.215 0.000 1.100 20 K HN 0.130 nan 8.250 nan 0.000 0.434 21 L N 5.030 126.435 121.223 0.304 0.000 2.369 21 L HA 0.193 4.533 4.340 -0.000 0.000 0.279 21 L C -2.192 174.663 176.870 -0.024 0.000 1.108 21 L CA -1.340 53.544 54.840 0.074 0.000 0.852 21 L CB -0.023 42.188 42.059 0.254 0.000 1.169 21 L HN 0.466 nan 8.230 nan 0.000 0.452 22 P HA 0.119 nan 4.420 nan 0.000 0.274 22 P C -0.366 176.820 177.300 -0.189 0.000 1.231 22 P CA -0.244 62.764 63.100 -0.154 0.000 0.790 22 P CB 0.744 32.339 31.700 -0.175 0.000 0.951 23 I N 2.661 123.089 120.570 -0.236 0.000 2.505 23 I HA 0.100 4.270 4.170 -0.000 0.000 0.287 23 I C 0.993 177.016 176.117 -0.156 0.000 1.104 23 I CA 0.442 61.569 61.300 -0.287 0.000 1.387 23 I CB -0.320 37.500 38.000 -0.300 0.000 1.404 23 I HN 0.370 nan 8.210 nan 0.000 0.528 24 N N 5.115 123.743 118.700 -0.121 0.000 2.336 24 N HA 0.321 5.060 4.740 -0.000 0.000 0.290 24 N C 0.316 175.799 175.510 -0.045 0.000 1.058 24 N CA -0.306 52.699 53.050 -0.075 0.000 0.865 24 N CB 2.183 40.626 38.487 -0.073 0.000 1.581 24 N HN 0.576 nan 8.380 nan 0.000 0.480 25 A N 3.889 126.688 122.820 -0.035 0.000 1.908 25 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 25 A C 2.017 179.599 177.584 -0.004 0.000 1.181 25 A CA 1.221 53.245 52.037 -0.020 0.000 0.627 25 A CB -0.492 18.495 19.000 -0.023 0.000 0.818 25 A HN 0.714 nan 8.150 nan 0.000 0.445 26 L N 0.237 121.458 121.223 -0.003 0.000 2.017 26 L HA -0.180 4.159 4.340 -0.000 0.000 0.208 26 L C 3.017 179.944 176.870 0.096 0.000 1.073 26 L CA 1.731 56.582 54.840 0.019 0.000 0.745 26 L CB -0.677 41.373 42.059 -0.016 0.000 0.894 26 L HN 0.595 nan 8.230 nan 0.000 0.432 27 S N -0.903 114.833 115.700 0.059 0.000 2.406 27 S HA -0.140 4.330 4.470 -0.000 0.000 0.228 27 S C 1.597 176.226 174.600 0.048 0.000 1.020 27 S CA 1.161 59.396 58.200 0.059 0.000 0.965 27 S CB -0.749 62.471 63.200 0.032 0.000 0.798 27 S HN 0.438 nan 8.310 nan 0.000 0.488 28 N N 2.016 120.737 118.700 0.035 0.000 2.104 28 N HA -0.131 4.609 4.740 -0.000 0.000 0.190 28 N C 1.893 177.424 175.510 0.036 0.000 1.024 28 N CA 1.505 54.578 53.050 0.039 0.000 0.853 28 N CB -0.265 38.233 38.487 0.019 0.000 1.008 28 N HN 0.694 nan 8.380 nan 0.000 0.424 29 S N 0.343 116.067 115.700 0.039 0.000 2.474 29 S HA -0.066 4.404 4.470 -0.000 0.000 0.235 29 S C 1.725 176.364 174.600 0.066 0.000 0.997 29 S CA 0.478 58.691 58.200 0.023 0.000 0.949 29 S CB -0.055 63.156 63.200 0.018 0.000 0.766 29 S HN 0.273 nan 8.310 nan 0.000 0.517 30 L N 0.094 121.376 121.223 0.100 0.000 2.316 30 L HA 0.580 4.919 4.340 -0.000 0.000 0.207 30 L C 0.194 177.129 176.870 0.108 0.000 1.070 30 L CA 0.787 55.702 54.840 0.126 0.000 0.820 30 L CB 0.216 42.095 42.059 -0.300 0.000 0.992 30 L HN 0.515 nan 8.230 nan 0.000 0.466 31 L N -0.762 120.488 121.223 0.045 0.000 2.562 31 L HA 0.374 4.714 4.340 -0.000 0.000 0.266 31 L C 0.374 177.262 176.870 0.031 0.000 0.949 31 L CA -0.487 54.368 54.840 0.024 0.000 0.879 31 L CB 1.437 43.515 42.059 0.032 0.000 1.278 31 L HN -0.006 nan 8.230 nan 0.000 0.404 32 R N 1.477 121.954 120.500 -0.038 0.000 2.100 32 R HA 0.085 4.425 4.340 -0.000 0.000 0.220 32 R C 0.149 176.536 176.300 0.144 0.000 1.091 32 R CA 0.652 56.771 56.100 0.031 0.000 0.986 32 R CB -0.044 30.243 30.300 -0.022 0.000 0.888 32 R HN 0.659 nan 8.270 nan 0.000 0.444 33 H N 1.162 120.264 119.070 0.054 0.000 3.563 33 H HA -0.018 4.538 4.556 -0.000 0.000 0.219 33 H C 0.926 176.247 175.328 -0.011 0.000 1.771 33 H CA -0.401 55.635 56.048 -0.021 0.000 1.458 33 H CB -0.178 29.580 29.762 -0.006 0.000 1.796 33 H HN 0.473 nan 8.280 nan 0.000 0.652 34 H N -0.324 118.848 119.070 0.170 0.000 2.422 34 H HA -0.148 4.408 4.556 -0.000 0.000 0.298 34 H C 1.274 176.696 175.328 0.156 0.000 1.098 34 H CA 1.531 57.664 56.048 0.140 0.000 1.315 34 H CB -0.235 29.586 29.762 0.098 0.000 1.382 34 H HN 0.465 nan 8.280 nan 0.000 0.523 35 N N 0.024 118.595 118.700 -0.214 0.000 2.443 35 N HA -0.078 4.662 4.740 -0.000 0.000 0.184 35 N C 1.206 176.767 175.510 0.084 0.000 1.037 35 N CA 1.111 54.140 53.050 -0.034 0.000 0.896 35 N CB -0.060 38.342 38.487 -0.142 0.000 0.959 35 N HN 0.436 nan 8.380 nan 0.000 0.442 36 M N 0.187 119.852 119.600 0.108 0.000 2.447 36 M HA 0.031 4.511 4.480 -0.000 0.000 0.264 36 M C 0.000 176.455 176.300 0.259 0.000 1.095 36 M CA 0.474 55.871 55.300 0.162 0.000 1.125 36 M CB 0.482 33.170 32.600 0.146 0.000 1.389 36 M HN -0.134 nan 8.290 nan 0.000 0.459 37 V N 1.473 121.545 119.914 0.263 0.000 2.432 37 V HA 0.218 4.338 4.120 -0.000 0.000 0.275 37 V C -0.658 175.658 176.094 0.370 0.000 1.043 37 V CA -0.551 61.911 62.300 0.269 0.000 0.925 37 V CB 0.042 32.031 31.823 0.278 0.000 0.985 37 V HN 0.315 nan 8.190 nan 0.000 0.466 38 Y N 2.604 123.005 120.300 0.168 0.000 2.615 38 Y HA 0.907 5.457 4.550 -0.000 0.000 0.341 38 Y C -0.465 175.396 175.900 -0.066 0.000 1.089 38 Y CA -1.465 56.719 58.100 0.140 0.000 1.049 38 Y CB 1.720 40.255 38.460 0.124 0.000 1.296 38 Y HN 0.651 nan 8.280 nan 0.000 0.470 39 A N 1.719 124.517 122.820 -0.036 0.000 2.331 39 A HA 0.630 4.950 4.320 -0.000 0.000 0.320 39 A C -0.118 177.531 177.584 0.108 0.000 1.138 39 A CA -0.409 51.461 52.037 -0.278 0.000 0.790 39 A CB 0.380 19.049 19.000 -0.551 0.000 1.206 39 A HN 1.057 nan 8.150 nan 0.000 0.470 40 T N 0.490 115.121 114.554 0.128 0.000 2.926 40 T HA 0.527 4.877 4.350 -0.000 0.000 0.307 40 T C 0.469 175.235 174.700 0.110 0.000 1.059 40 T CA 0.486 62.706 62.100 0.200 0.000 1.122 40 T CB 0.620 69.610 68.868 0.203 0.000 0.972 40 T HN 1.453 nan 8.240 nan 0.000 0.545 41 T N -1.997 112.618 114.554 0.101 0.000 2.804 41 T HA 0.488 4.838 4.350 -0.000 0.000 0.290 41 T C 1.360 176.089 174.700 0.049 0.000 1.099 41 T CA -0.260 61.884 62.100 0.073 0.000 1.011 41 T CB 1.171 70.086 68.868 0.080 0.000 1.291 41 T HN 0.757 nan 8.240 nan 0.000 0.523 42 S N -0.155 115.567 115.700 0.037 0.000 2.500 42 S HA -0.102 4.368 4.470 -0.000 0.000 0.239 42 S C 1.682 176.281 174.600 -0.003 0.000 0.989 42 S CA 0.297 58.505 58.200 0.014 0.000 0.951 42 S CB -0.705 62.503 63.200 0.013 0.000 0.759 42 S HN 0.706 nan 8.310 nan 0.000 0.523 43 R N 1.535 122.041 120.500 0.010 0.000 2.241 43 R HA 0.002 4.342 4.340 -0.000 0.000 0.224 43 R C 1.794 178.084 176.300 -0.017 0.000 1.101 43 R CA 1.333 57.432 56.100 -0.002 0.000 0.995 43 R CB -0.385 29.921 30.300 0.011 0.000 0.870 43 R HN 0.714 nan 8.270 nan 0.000 0.463 44 S N -1.190 114.502 115.700 -0.013 0.000 2.593 44 S HA 0.292 4.762 4.470 -0.000 0.000 0.236 44 S C 1.606 176.178 174.600 -0.047 0.000 0.991 44 S CA 0.030 58.214 58.200 -0.027 0.000 0.963 44 S CB 1.057 64.251 63.200 -0.011 0.000 0.865 44 S HN 0.233 nan 8.310 nan 0.000 0.488 45 A N 2.134 124.917 122.820 -0.061 0.000 1.940 45 A HA 0.154 4.474 4.320 -0.000 0.000 0.219 45 A C 2.252 179.735 177.584 -0.169 0.000 1.176 45 A CA 1.654 53.629 52.037 -0.104 0.000 0.631 45 A CB -1.661 17.270 19.000 -0.114 0.000 0.814 45 A HN 0.684 nan 8.150 nan 0.000 0.446 46 G N -0.037 108.664 108.800 -0.164 0.000 2.442 46 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.219 46 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.219 46 G C 1.502 176.315 174.900 -0.146 0.000 1.141 46 G CA 1.113 46.098 45.100 -0.192 0.000 0.763 46 G HN 0.479 nan 8.290 nan 0.000 0.554 47 L N -0.445 120.722 121.223 -0.093 0.000 2.093 47 L HA 0.038 4.378 4.340 -0.000 0.000 0.208 47 L C 2.851 179.694 176.870 -0.045 0.000 1.085 47 L CA 1.085 55.890 54.840 -0.058 0.000 0.755 47 L CB -0.336 41.697 42.059 -0.043 0.000 0.904 47 L HN 0.132 nan 8.230 nan 0.000 0.435 48 R N 0.519 120.984 120.500 -0.058 0.000 2.090 48 R HA -0.110 4.230 4.340 -0.000 0.000 0.228 48 R C 2.262 178.539 176.300 -0.038 0.000 1.110 48 R CA 1.354 57.437 56.100 -0.028 0.000 0.973 48 R CB -0.271 30.014 30.300 -0.026 0.000 0.869 48 R HN 0.358 nan 8.270 nan 0.000 0.440 49 Q N 0.111 119.816 119.800 -0.160 0.000 2.061 49 Q HA -0.211 4.129 4.340 -0.000 0.000 0.204 49 Q C 1.951 177.952 176.000 0.002 0.000 0.984 49 Q CA 2.016 57.682 55.803 -0.229 0.000 0.846 49 Q CB -0.237 28.058 28.738 -0.738 0.000 0.902 49 Q HN 0.287 nan 8.270 nan 0.000 0.421 50 K N 1.253 121.641 120.400 -0.021 0.000 2.063 50 K HA -0.231 4.089 4.320 -0.000 0.000 0.208 50 K C 2.050 178.741 176.600 0.151 0.000 1.048 50 K CA 1.517 57.845 56.287 0.069 0.000 0.928 50 K CB -0.002 32.512 32.500 0.024 0.000 0.713 50 K HN -0.020 nan 8.250 nan 0.000 0.442 51 K N 0.539 121.019 120.400 0.134 0.000 2.062 51 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 51 K C 1.821 178.631 176.600 0.350 0.000 1.051 51 K CA 1.253 57.654 56.287 0.190 0.000 0.941 51 K CB 0.151 32.726 32.500 0.125 0.000 0.719 51 K HN 0.199 nan 8.250 nan 0.000 0.440 52 V N -0.913 119.190 119.914 0.314 0.000 3.380 52 V HA 0.066 4.186 4.120 -0.000 0.000 0.268 52 V C 0.251 176.529 176.094 0.306 0.000 1.168 52 V CA 0.444 62.972 62.300 0.381 0.000 1.156 52 V CB -0.207 31.796 31.823 0.299 0.000 0.785 52 V HN 0.028 nan 8.190 nan 0.000 0.487 53 T N 4.296 119.070 114.554 0.366 0.000 2.753 53 T HA 0.706 5.056 4.350 -0.000 0.000 0.297 53 T C -0.738 174.134 174.700 0.287 0.000 0.981 53 T CA -0.016 62.260 62.100 0.293 0.000 0.956 53 T CB 0.246 69.394 68.868 0.467 0.000 0.936 53 T HN 0.654 nan 8.240 nan 0.000 0.463 54 F N -0.144 119.899 119.950 0.156 0.000 2.807 54 F HA 0.618 5.145 4.527 -0.000 0.000 0.316 54 F C -1.377 174.452 175.800 0.049 0.000 1.162 54 F CA -1.655 56.400 58.000 0.091 0.000 0.910 54 F CB 0.684 39.732 39.000 0.079 0.000 1.314 54 F HN 0.200 nan 8.300 nan 0.000 0.454 55 D N 0.891 121.467 120.400 0.294 0.000 2.264 55 D HA 0.450 5.090 4.640 -0.000 0.000 0.250 55 D C -0.858 175.581 176.300 0.232 0.000 1.113 55 D CA -0.119 53.976 54.000 0.158 0.000 0.871 55 D CB 0.966 41.829 40.800 0.105 0.000 1.167 55 D HN 0.556 nan 8.370 nan 0.000 0.447 56 R N 2.716 123.289 120.500 0.121 0.000 2.294 56 R HA 0.496 4.836 4.340 -0.000 0.000 0.319 56 R C -0.597 175.736 176.300 0.055 0.000 0.984 56 R CA -0.356 55.817 56.100 0.121 0.000 0.861 56 R CB 1.030 31.366 30.300 0.060 0.000 1.104 56 R HN 0.395 nan 8.270 nan 0.000 0.451 57 L N 3.137 124.390 121.223 0.049 0.000 2.502 57 L HA 0.350 4.690 4.340 -0.000 0.000 0.247 57 L C -0.183 176.689 176.870 0.004 0.000 1.180 57 L CA -0.416 54.435 54.840 0.018 0.000 0.956 57 L CB 1.059 43.129 42.059 0.017 0.000 1.282 57 L HN 0.515 nan 8.230 nan 0.000 0.470 58 Q N 1.718 121.514 119.800 -0.007 0.000 2.296 58 Q HA 0.386 4.726 4.340 -0.000 0.000 0.262 58 Q C -1.114 174.864 176.000 -0.036 0.000 0.981 58 Q CA -0.136 55.655 55.803 -0.021 0.000 0.905 58 Q CB 1.367 30.079 28.738 -0.044 0.000 1.186 58 Q HN 0.317 nan 8.270 nan 0.000 0.399 59 V N 6.323 126.224 119.914 -0.023 0.000 2.483 59 V HA 0.390 4.510 4.120 -0.000 0.000 0.297 59 V C -0.403 175.692 176.094 0.001 0.000 1.027 59 V CA -0.692 61.594 62.300 -0.023 0.000 0.855 59 V CB 1.477 33.291 31.823 -0.015 0.000 0.995 59 V HN 0.737 nan 8.190 nan 0.000 0.424 60 L N 4.801 125.979 121.223 -0.074 0.000 2.334 60 L HA 0.750 5.090 4.340 -0.000 0.000 0.275 60 L C -0.290 176.587 176.870 0.012 0.000 1.036 60 L CA -0.530 54.226 54.840 -0.140 0.000 0.807 60 L CB 1.821 43.644 42.059 -0.395 0.000 1.231 60 L HN 0.776 nan 8.230 nan 0.000 0.438 61 D N -1.234 119.235 120.400 0.116 0.000 2.727 61 D HA 0.210 4.850 4.640 -0.000 0.000 0.264 61 D C 0.089 176.442 176.300 0.088 0.000 1.101 61 D CA -0.594 53.469 54.000 0.106 0.000 1.122 61 D CB 0.528 41.413 40.800 0.142 0.000 1.390 61 D HN 0.264 nan 8.370 nan 0.000 0.606 62 D N -1.266 119.126 120.400 -0.015 0.000 2.117 62 D HA -0.143 4.497 4.640 -0.000 0.000 0.197 62 D C 1.775 178.054 176.300 -0.035 0.000 0.987 62 D CA 1.225 55.185 54.000 -0.066 0.000 0.829 62 D CB -0.259 40.442 40.800 -0.164 0.000 0.961 62 D HN 0.397 nan 8.370 nan 0.000 0.460 63 H N -0.630 118.498 119.070 0.096 0.000 2.319 63 H HA -0.171 4.385 4.556 -0.000 0.000 0.299 63 H C 2.061 177.411 175.328 0.035 0.000 1.092 63 H CA 1.204 57.299 56.048 0.078 0.000 1.302 63 H CB -0.790 29.049 29.762 0.128 0.000 1.373 63 H HN 0.318 nan 8.280 nan 0.000 0.497 64 Y N 1.986 122.292 120.300 0.011 0.000 2.128 64 Y HA -0.227 4.323 4.550 -0.000 0.000 0.284 64 Y C 2.684 178.514 175.900 -0.115 0.000 1.154 64 Y CA 1.601 59.578 58.100 -0.204 0.000 1.149 64 Y CB -0.059 38.140 38.460 -0.434 0.000 0.976 64 Y HN -0.033 nan 8.280 nan 0.000 0.505 65 R N 0.048 120.600 120.500 0.087 0.000 2.092 65 R HA -0.143 4.197 4.340 -0.000 0.000 0.231 65 R C 1.785 178.051 176.300 -0.058 0.000 1.119 65 R CA 1.462 57.567 56.100 0.009 0.000 0.970 65 R CB -0.321 30.017 30.300 0.062 0.000 0.864 65 R HN 0.389 nan 8.270 nan 0.000 0.440 66 D N 0.174 120.558 120.400 -0.026 0.000 2.097 66 D HA -0.124 4.516 4.640 -0.000 0.000 0.195 66 D C 2.006 178.278 176.300 -0.047 0.000 0.989 66 D CA 1.133 55.121 54.000 -0.019 0.000 0.827 66 D CB -0.269 40.544 40.800 0.021 0.000 0.966 66 D HN -0.011 nan 8.370 nan 0.000 0.456 67 V N 1.259 121.125 119.914 -0.080 0.000 2.295 67 V HA -0.222 3.898 4.120 -0.000 0.000 0.246 67 V C 2.512 178.527 176.094 -0.131 0.000 1.049 67 V CA 1.167 63.407 62.300 -0.101 0.000 1.024 67 V CB -0.569 31.162 31.823 -0.154 0.000 0.648 67 V HN 0.138 nan 8.190 nan 0.000 0.447 68 L N 0.585 121.656 121.223 -0.253 0.000 2.043 68 L HA -0.217 4.122 4.340 -0.000 0.000 0.212 68 L C 2.422 179.219 176.870 -0.121 0.000 1.075 68 L CA 2.317 57.011 54.840 -0.243 0.000 0.752 68 L CB -0.900 40.947 42.059 -0.354 0.000 0.891 68 L HN 0.302 nan 8.230 nan 0.000 0.432 69 K N -0.404 119.942 120.400 -0.089 0.000 2.032 69 K HA -0.240 4.080 4.320 -0.000 0.000 0.209 69 K C 1.945 178.525 176.600 -0.033 0.000 1.048 69 K CA 2.137 58.395 56.287 -0.048 0.000 0.927 69 K CB -0.185 32.296 32.500 -0.032 0.000 0.712 69 K HN 0.543 nan 8.250 nan 0.000 0.441 70 E N 0.123 120.309 120.200 -0.025 0.000 2.153 70 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 70 E C 2.095 178.693 176.600 -0.004 0.000 0.988 70 E CA 1.442 57.840 56.400 -0.004 0.000 0.811 70 E CB -0.071 29.638 29.700 0.014 0.000 0.746 70 E HN 0.373 nan 8.360 nan 0.000 0.466 71 M N 0.562 120.155 119.600 -0.011 0.000 2.132 71 M HA -0.154 4.326 4.480 -0.000 0.000 0.263 71 M C 2.088 178.362 176.300 -0.043 0.000 1.065 71 M CA 1.442 56.730 55.300 -0.021 0.000 1.122 71 M CB -0.109 32.477 32.600 -0.023 0.000 1.365 71 M HN -0.055 nan 8.290 nan 0.000 0.411 72 K N 0.338 120.711 120.400 -0.045 0.000 2.097 72 K HA -0.074 4.245 4.320 -0.000 0.000 0.206 72 K C 2.103 178.688 176.600 -0.026 0.000 1.049 72 K CA 1.364 57.627 56.287 -0.039 0.000 0.933 72 K CB -0.278 32.199 32.500 -0.038 0.000 0.717 72 K HN 0.289 nan 8.250 nan 0.000 0.442 73 A N 1.905 124.713 122.820 -0.021 0.000 1.902 73 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 73 A C 1.888 179.463 177.584 -0.015 0.000 1.181 73 A CA 1.557 53.586 52.037 -0.014 0.000 0.623 73 A CB -0.259 18.736 19.000 -0.009 0.000 0.818 73 A HN 0.190 nan 8.150 nan 0.000 0.443 74 K N -0.570 119.817 120.400 -0.022 0.000 2.155 74 K HA 0.073 4.393 4.320 -0.000 0.000 0.203 74 K C 2.173 178.752 176.600 -0.035 0.000 1.052 74 K CA 0.852 57.121 56.287 -0.029 0.000 0.948 74 K CB -0.206 32.270 32.500 -0.040 0.000 0.728 74 K HN 0.438 nan 8.250 nan 0.000 0.448 75 A N 0.803 123.602 122.820 -0.035 0.000 2.014 75 A HA -0.075 4.244 4.320 -0.000 0.000 0.218 75 A C 1.990 179.568 177.584 -0.010 0.000 1.163 75 A CA 1.298 53.320 52.037 -0.026 0.000 0.652 75 A CB -0.261 18.726 19.000 -0.022 0.000 0.808 75 A HN 0.124 nan 8.150 nan 0.000 0.449 76 S N -0.111 115.584 115.700 -0.009 0.000 2.469 76 S HA -0.104 4.366 4.470 -0.000 0.000 0.238 76 S C 1.872 176.471 174.600 -0.003 0.000 0.998 76 S CA 1.594 59.793 58.200 -0.002 0.000 0.957 76 S CB -0.457 62.741 63.200 -0.003 0.000 0.764 76 S HN 0.889 nan 8.310 nan 0.000 0.514 77 T N -0.957 113.592 114.554 -0.008 0.000 3.107 77 T HA 0.245 4.595 4.350 -0.000 0.000 0.249 77 T C 0.353 175.047 174.700 -0.010 0.000 1.096 77 T CA -0.170 61.925 62.100 -0.009 0.000 1.012 77 T CB -0.181 68.679 68.868 -0.012 0.000 0.977 77 T HN 0.012 nan 8.240 nan 0.000 0.527 78 V N 1.643 121.551 119.914 -0.010 0.000 2.481 78 V HA 0.492 4.611 4.120 -0.000 0.000 0.286 78 V C -0.096 175.997 176.094 -0.000 0.000 1.042 78 V CA -1.057 61.237 62.300 -0.011 0.000 0.928 78 V CB 1.571 33.382 31.823 -0.019 0.000 0.986 78 V HN 0.354 nan 8.190 nan 0.000 0.462 79 K N 3.408 123.808 120.400 -0.000 0.000 2.358 79 K HA 0.787 5.107 4.320 -0.000 0.000 0.260 79 K C -0.667 175.938 176.600 0.008 0.000 0.956 79 K CA -0.326 55.965 56.287 0.008 0.000 0.834 79 K CB 1.509 34.014 32.500 0.008 0.000 1.102 79 K HN 0.864 nan 8.250 nan 0.000 0.431 80 A N 3.723 126.552 122.820 0.015 0.000 2.380 80 A HA 0.659 4.979 4.320 -0.000 0.000 0.315 80 A C -1.410 176.193 177.584 0.031 0.000 1.101 80 A CA -0.922 51.125 52.037 0.017 0.000 0.771 80 A CB 1.137 20.141 19.000 0.007 0.000 1.287 80 A HN 0.820 nan 8.150 nan 0.000 0.436 81 K N 0.860 121.283 120.400 0.038 0.000 2.350 81 K HA 0.807 5.127 4.320 -0.000 0.000 0.241 81 K C -1.195 175.439 176.600 0.057 0.000 0.994 81 K CA -0.698 55.615 56.287 0.045 0.000 0.839 81 K CB 1.290 33.811 32.500 0.035 0.000 1.244 81 K HN 0.464 nan 8.250 nan 0.000 0.443 82 L N 1.785 123.041 121.223 0.055 0.000 2.436 82 L HA 0.285 4.625 4.340 -0.000 0.000 0.265 82 L C -0.152 176.721 176.870 0.003 0.000 1.168 82 L CA -0.771 54.096 54.840 0.045 0.000 0.815 82 L CB 0.397 42.480 42.059 0.040 0.000 1.109 82 L HN 0.455 nan 8.230 nan 0.000 0.462 83 L N 1.181 122.388 121.223 -0.027 0.000 2.343 83 L HA 0.356 4.696 4.340 -0.000 0.000 0.275 83 L C 0.472 177.264 176.870 -0.130 0.000 1.056 83 L CA -0.489 54.319 54.840 -0.054 0.000 0.804 83 L CB 1.856 43.887 42.059 -0.046 0.000 1.203 83 L HN 0.732 nan 8.230 nan 0.000 0.440 84 S N 0.796 116.428 115.700 -0.113 0.000 2.614 84 S HA 0.164 4.633 4.470 -0.000 0.000 0.265 84 S C 1.085 175.587 174.600 -0.163 0.000 1.303 84 S CA -0.914 57.206 58.200 -0.133 0.000 1.000 84 S CB 1.509 64.656 63.200 -0.088 0.000 0.935 84 S HN 0.337 nan 8.310 nan 0.000 0.551 85 V N 1.757 121.567 119.914 -0.174 0.000 2.469 85 V HA -0.175 3.945 4.120 -0.000 0.000 0.251 85 V C 2.470 178.474 176.094 -0.150 0.000 1.064 85 V CA 2.330 64.514 62.300 -0.193 0.000 1.066 85 V CB -1.403 30.283 31.823 -0.228 0.000 0.667 85 V HN 0.864 nan 8.190 nan 0.000 0.461 86 E N 0.293 120.423 120.200 -0.118 0.000 2.051 86 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 86 E C 2.182 178.722 176.600 -0.100 0.000 0.991 86 E CA 1.454 57.796 56.400 -0.097 0.000 0.799 86 E CB -0.310 29.345 29.700 -0.074 0.000 0.748 86 E HN 0.668 nan 8.360 nan 0.000 0.449 87 E N 0.461 120.599 120.200 -0.104 0.000 2.110 87 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 87 E C 2.048 178.558 176.600 -0.151 0.000 0.988 87 E CA 1.001 57.332 56.400 -0.116 0.000 0.804 87 E CB -0.178 29.460 29.700 -0.104 0.000 0.745 87 E HN 0.290 nan 8.360 nan 0.000 0.458 88 A N 0.646 123.379 122.820 -0.146 0.000 1.930 88 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 88 A C 2.377 179.887 177.584 -0.123 0.000 1.175 88 A CA 0.965 52.915 52.037 -0.144 0.000 0.627 88 A CB -0.693 18.234 19.000 -0.120 0.000 0.815 88 A HN 0.350 nan 8.150 nan 0.000 0.443 89 C N -0.515 118.718 119.300 -0.111 0.000 2.425 89 C HA -0.051 4.409 4.460 -0.000 0.000 0.277 89 C C 2.637 177.572 174.990 -0.092 0.000 1.280 89 C CA 1.314 60.275 59.018 -0.094 0.000 1.744 89 C CB -0.961 26.721 27.740 -0.097 0.000 1.989 89 C HN 0.715 nan 8.230 nan 0.000 0.491 90 K N 0.613 120.957 120.400 -0.092 0.000 2.283 90 K HA -0.043 4.277 4.320 -0.000 0.000 0.202 90 K C 1.528 178.100 176.600 -0.047 0.000 1.048 90 K CA 1.064 57.312 56.287 -0.066 0.000 0.948 90 K CB -0.109 32.353 32.500 -0.064 0.000 0.742 90 K HN 0.494 nan 8.250 nan 0.000 0.458 91 L N 0.869 122.029 121.223 -0.106 0.000 2.558 91 L HA 0.045 4.385 4.340 -0.000 0.000 0.225 91 L C 0.344 177.163 176.870 -0.084 0.000 1.128 91 L CA 0.023 54.788 54.840 -0.124 0.000 0.868 91 L CB 0.173 42.051 42.059 -0.303 0.000 1.006 91 L HN -0.021 nan 8.230 nan 0.000 0.454 92 T N 2.086 116.585 114.554 -0.091 0.000 2.779 92 T HA 0.168 4.518 4.350 -0.000 0.000 0.296 92 T C -2.283 172.304 174.700 -0.188 0.000 0.938 92 T CA -1.016 61.020 62.100 -0.106 0.000 1.119 92 T CB 0.744 69.557 68.868 -0.092 0.000 0.891 92 T HN -0.127 nan 8.240 nan 0.000 0.526 93 P HA 0.095 nan 4.420 nan 0.000 0.265 93 P C -1.824 175.236 177.300 -0.401 0.000 1.193 93 P CA -1.229 61.671 63.100 -0.334 0.000 0.765 93 P CB 0.214 31.837 31.700 -0.128 0.000 0.823 94 P HA -0.174 nan 4.420 nan 0.000 0.217 94 P C 0.214 177.190 177.300 -0.540 0.000 1.148 94 P CA 1.731 64.516 63.100 -0.524 0.000 0.834 94 P CB -0.137 31.252 31.700 -0.518 0.000 0.783 95 H N -2.510 116.451 119.070 -0.182 0.000 2.472 95 H HA 0.308 4.864 4.556 -0.000 0.000 0.287 95 H C 0.351 175.612 175.328 -0.111 0.000 1.112 95 H CA -0.311 55.668 56.048 -0.116 0.000 1.021 95 H CB -0.177 29.535 29.762 -0.082 0.000 1.635 95 H HN -0.045 nan 8.280 nan 0.000 0.559 96 S N 1.072 116.726 115.700 -0.076 0.000 2.579 96 S HA 0.415 4.884 4.470 -0.000 0.000 0.275 96 S C 0.727 175.284 174.600 -0.072 0.000 1.345 96 S CA -0.534 57.616 58.200 -0.084 0.000 1.031 96 S CB 0.258 63.401 63.200 -0.094 0.000 0.892 96 S HN 0.552 nan 8.310 nan 0.000 0.529 97 A N 4.430 127.198 122.820 -0.088 0.000 2.561 97 A HA 0.209 4.529 4.320 -0.000 0.000 0.251 97 A C 0.568 178.129 177.584 -0.038 0.000 1.062 97 A CA -0.037 51.971 52.037 -0.047 0.000 0.761 97 A CB -0.403 18.578 19.000 -0.032 0.000 0.986 97 A HN 0.854 nan 8.150 nan 0.000 0.510 98 K N 2.547 122.911 120.400 -0.059 0.000 2.336 98 K HA 0.296 4.616 4.320 -0.000 0.000 0.262 98 K C 0.424 176.916 176.600 -0.180 0.000 0.992 98 K CA 0.144 56.353 56.287 -0.130 0.000 0.927 98 K CB 0.402 32.829 32.500 -0.122 0.000 0.956 98 K HN 0.453 nan 8.250 nan 0.000 0.495 99 S N 0.081 115.550 115.700 -0.386 0.000 2.593 99 S HA 0.036 4.506 4.470 -0.000 0.000 0.269 99 S C 0.636 175.028 174.600 -0.347 0.000 1.334 99 S CA -0.632 57.317 58.200 -0.418 0.000 1.015 99 S CB 0.493 63.125 63.200 -0.947 0.000 0.912 99 S HN 0.769 nan 8.310 nan 0.000 0.541 100 K N 1.600 121.777 120.400 -0.372 0.000 2.458 100 K HA 0.127 4.446 4.320 -0.000 0.000 0.194 100 K C -0.282 175.934 176.600 -0.640 0.000 1.024 100 K CA 0.479 56.466 56.287 -0.500 0.000 1.108 100 K CB -0.169 31.982 32.500 -0.581 0.000 0.846 100 K HN 0.559 nan 8.250 nan 0.000 0.518 101 F N 1.252 121.126 119.950 -0.127 0.000 2.855 101 F HA 0.343 4.870 4.527 -0.000 0.000 0.317 101 F C 0.769 176.527 175.800 -0.070 0.000 1.169 101 F CA -0.405 57.583 58.000 -0.019 0.000 1.299 101 F CB 1.308 40.398 39.000 0.150 0.000 0.962 101 F HN 0.238 nan 8.300 nan 0.000 0.506 102 G N 0.960 109.746 108.800 -0.023 0.000 2.203 102 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.231 102 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.231 102 G C -0.571 174.388 174.900 0.099 0.000 1.058 102 G CA 0.015 45.134 45.100 0.031 0.000 0.781 102 G HN 0.641 nan 8.290 nan 0.000 0.496 103 Y N -3.150 117.102 120.300 -0.081 0.000 2.732 103 Y HA 0.688 5.238 4.550 -0.000 0.000 0.342 103 Y C 0.164 176.029 175.900 -0.057 0.000 1.203 103 Y CA -0.843 57.208 58.100 -0.081 0.000 1.092 103 Y CB 0.401 38.787 38.460 -0.123 0.000 1.345 103 Y HN 0.968 nan 8.280 nan 0.000 0.458 104 G N -0.124 108.710 108.800 0.056 0.000 2.949 104 G HA2 0.576 4.536 3.960 -0.000 0.000 0.285 104 G HA3 0.576 4.536 3.960 -0.000 0.000 0.285 104 G C 0.154 175.061 174.900 0.012 0.000 1.395 104 G CA -0.729 44.341 45.100 -0.049 0.000 0.901 104 G HN 1.321 nan 8.290 nan 0.000 0.519 105 A N -0.271 122.516 122.820 -0.056 0.000 1.940 105 A HA -0.049 4.270 4.320 -0.000 0.000 0.219 105 A C 2.178 179.703 177.584 -0.098 0.000 1.176 105 A CA 2.166 54.154 52.037 -0.082 0.000 0.631 105 A CB -0.468 18.444 19.000 -0.146 0.000 0.814 105 A HN 0.618 nan 8.150 nan 0.000 0.446 106 K N -0.274 120.061 120.400 -0.108 0.000 2.026 106 K HA -0.145 4.175 4.320 -0.000 0.000 0.208 106 K C 1.516 178.082 176.600 -0.057 0.000 1.048 106 K CA 1.449 57.671 56.287 -0.108 0.000 0.929 106 K CB -0.317 32.122 32.500 -0.101 0.000 0.713 106 K HN 0.428 nan 8.250 nan 0.000 0.439 107 D N 0.719 121.115 120.400 -0.007 0.000 2.144 107 D HA -0.123 4.517 4.640 -0.000 0.000 0.199 107 D C 2.065 178.357 176.300 -0.012 0.000 0.984 107 D CA 0.961 54.968 54.000 0.010 0.000 0.834 107 D CB -0.261 40.587 40.800 0.080 0.000 0.955 107 D HN -0.042 nan 8.370 nan 0.000 0.465 108 V N 1.270 121.196 119.914 0.021 0.000 2.295 108 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 108 V C 2.495 178.553 176.094 -0.060 0.000 1.049 108 V CA 1.560 63.852 62.300 -0.013 0.000 1.024 108 V CB -0.366 31.478 31.823 0.035 0.000 0.648 108 V HN 0.122 nan 8.190 nan 0.000 0.447 109 R N 0.369 120.824 120.500 -0.075 0.000 2.120 109 R HA -0.099 4.241 4.340 -0.000 0.000 0.234 109 R C 1.870 178.125 176.300 -0.075 0.000 1.123 109 R CA 1.396 57.441 56.100 -0.091 0.000 0.975 109 R CB -0.350 29.874 30.300 -0.128 0.000 0.866 109 R HN 0.505 nan 8.270 nan 0.000 0.446 110 N N 0.634 119.293 118.700 -0.068 0.000 2.467 110 N HA 0.054 4.794 4.740 -0.000 0.000 0.184 110 N C 0.257 175.732 175.510 -0.058 0.000 1.106 110 N CA 0.363 53.379 53.050 -0.057 0.000 0.892 110 N CB 0.222 38.679 38.487 -0.049 0.000 0.969 110 N HN 0.125 nan 8.380 nan 0.000 0.454 111 L N 0.758 121.938 121.223 -0.071 0.000 3.608 111 L HA -0.209 4.131 4.340 -0.000 0.000 0.422 111 L C 0.011 176.832 176.870 -0.082 0.000 1.260 111 L CA -0.104 54.686 54.840 -0.084 0.000 0.889 111 L CB -2.530 39.484 42.059 -0.075 0.000 1.821 111 L HN 0.159 nan 8.230 nan 0.000 0.884 112 S N -1.034 114.618 115.700 -0.080 0.000 2.558 112 S HA 0.216 4.686 4.470 -0.000 0.000 0.288 112 S C 1.534 176.079 174.600 -0.091 0.000 1.318 112 S CA -0.025 58.133 58.200 -0.070 0.000 1.056 112 S CB 1.697 64.862 63.200 -0.057 0.000 0.853 112 S HN 0.525 nan 8.310 nan 0.000 0.505 113 S N 2.863 118.527 115.700 -0.060 0.000 2.374 113 S HA -0.274 4.196 4.470 -0.000 0.000 0.227 113 S C 1.695 176.258 174.600 -0.061 0.000 1.037 113 S CA 1.403 59.573 58.200 -0.050 0.000 1.024 113 S CB -0.672 62.515 63.200 -0.021 0.000 0.861 113 S HN 0.869 nan 8.310 nan 0.000 0.456 114 K N 1.602 121.965 120.400 -0.061 0.000 2.057 114 K HA 0.018 4.337 4.320 -0.000 0.000 0.207 114 K C 2.352 178.799 176.600 -0.255 0.000 1.049 114 K CA 1.090 57.349 56.287 -0.047 0.000 0.931 114 K CB -0.604 31.881 32.500 -0.026 0.000 0.714 114 K HN 0.460 nan 8.250 nan 0.000 0.440 115 A N 0.538 123.091 122.820 -0.445 0.000 1.873 115 A HA -0.097 4.223 4.320 -0.000 0.000 0.215 115 A C 2.201 179.494 177.584 -0.485 0.000 1.186 115 A CA 1.587 53.135 52.037 -0.816 0.000 0.616 115 A CB -0.644 18.085 19.000 -0.452 0.000 0.823 115 A HN 0.160 nan 8.150 nan 0.000 0.442 116 V N 1.161 120.893 119.914 -0.303 0.000 2.490 116 V HA -0.240 3.880 4.120 -0.000 0.000 0.250 116 V C 2.189 178.092 176.094 -0.319 0.000 1.061 116 V CA 2.025 64.129 62.300 -0.326 0.000 1.064 116 V CB -0.977 30.692 31.823 -0.257 0.000 0.670 116 V HN 0.539 nan 8.190 nan 0.000 0.461 117 N N -0.313 118.308 118.700 -0.131 0.000 2.171 117 N HA -0.119 4.621 4.740 -0.000 0.000 0.184 117 N C 1.807 177.288 175.510 -0.048 0.000 1.021 117 N CA 1.340 54.377 53.050 -0.022 0.000 0.854 117 N CB -0.350 38.131 38.487 -0.010 0.000 0.994 117 N HN 0.572 nan 8.380 nan 0.000 0.426 118 H N 0.733 119.694 119.070 -0.182 0.000 2.389 118 H HA 0.148 4.703 4.556 -0.000 0.000 0.299 118 H C 2.083 177.369 175.328 -0.070 0.000 1.081 118 H CA 0.804 56.775 56.048 -0.129 0.000 1.345 118 H CB -0.095 29.590 29.762 -0.129 0.000 1.393 118 H HN 0.146 nan 8.280 nan 0.000 0.520 119 I N -0.393 120.174 120.570 -0.005 0.000 2.179 119 I HA -0.306 3.864 4.170 -0.000 0.000 0.242 119 I C 1.964 178.122 176.117 0.070 0.000 1.088 119 I CA 1.475 62.777 61.300 0.003 0.000 1.357 119 I CB -0.305 37.615 38.000 -0.132 0.000 1.051 119 I HN 0.409 nan 8.210 nan 0.000 0.409 120 H N -0.065 119.018 119.070 0.022 0.000 2.353 120 H HA -0.163 4.393 4.556 -0.000 0.000 0.300 120 H C 2.542 177.923 175.328 0.087 0.000 1.090 120 H CA 1.611 57.687 56.048 0.048 0.000 1.327 120 H CB 0.051 29.810 29.762 -0.005 0.000 1.383 120 H HN 0.370 nan 8.280 nan 0.000 0.508 121 S N 0.112 115.897 115.700 0.142 0.000 2.423 121 S HA -0.099 4.371 4.470 -0.000 0.000 0.231 121 S C 2.214 176.843 174.600 0.048 0.000 1.014 121 S CA 1.012 59.239 58.200 0.046 0.000 0.965 121 S CB -0.533 62.625 63.200 -0.071 0.000 0.785 121 S HN 0.127 nan 8.310 nan 0.000 0.495 122 V N 0.799 120.763 119.914 0.084 0.000 2.379 122 V HA -0.076 4.044 4.120 -0.000 0.000 0.245 122 V C 2.210 178.386 176.094 0.136 0.000 1.044 122 V CA 1.612 63.961 62.300 0.082 0.000 1.036 122 V CB -0.932 30.959 31.823 0.114 0.000 0.664 122 V HN 0.730 nan 8.190 nan 0.000 0.453 123 W N 1.387 122.700 121.300 0.021 0.000 2.358 123 W HA -0.200 4.460 4.660 -0.000 0.000 0.303 123 W C 2.297 178.823 176.519 0.011 0.000 1.208 123 W CA 1.895 59.256 57.345 0.027 0.000 1.274 123 W CB -0.099 29.396 29.460 0.059 0.000 1.138 123 W HN 0.239 nan 8.180 nan 0.000 0.515 124 K N -0.024 120.451 120.400 0.125 0.000 2.097 124 K HA -0.225 4.095 4.320 -0.000 0.000 0.205 124 K C 1.596 178.148 176.600 -0.081 0.000 1.050 124 K CA 1.948 58.235 56.287 0.000 0.000 0.938 124 K CB -0.540 31.991 32.500 0.052 0.000 0.718 124 K HN 0.044 nan 8.250 nan 0.000 0.442 125 D N 0.915 121.281 120.400 -0.057 0.000 2.144 125 D HA -0.119 4.521 4.640 -0.000 0.000 0.199 125 D C 1.743 177.972 176.300 -0.118 0.000 0.984 125 D CA 0.809 54.766 54.000 -0.072 0.000 0.834 125 D CB 0.096 40.865 40.800 -0.051 0.000 0.955 125 D HN 0.058 nan 8.370 nan 0.000 0.465 126 L N -0.168 120.948 121.223 -0.178 0.000 2.046 126 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 126 L C 2.416 179.123 176.870 -0.272 0.000 1.077 126 L CA 0.714 55.407 54.840 -0.244 0.000 0.747 126 L CB -0.373 41.469 42.059 -0.361 0.000 0.896 126 L HN 0.202 nan 8.230 nan 0.000 0.432 127 L N -0.869 120.158 121.223 -0.326 0.000 2.156 127 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 127 L C 2.209 178.991 176.870 -0.148 0.000 1.095 127 L CA 1.075 55.760 54.840 -0.257 0.000 0.770 127 L CB -0.393 41.508 42.059 -0.263 0.000 0.914 127 L HN 0.268 nan 8.230 nan 0.000 0.439 128 E N -0.942 119.185 120.200 -0.121 0.000 2.385 128 E HA -0.048 4.302 4.350 -0.000 0.000 0.194 128 E C -0.021 176.538 176.600 -0.069 0.000 1.013 128 E CA 0.182 56.534 56.400 -0.079 0.000 0.866 128 E CB 0.397 30.060 29.700 -0.062 0.000 0.832 128 E HN 0.183 nan 8.360 nan 0.000 0.500 129 D N 0.100 120.452 120.400 -0.081 0.000 2.602 129 D HA 0.036 4.676 4.640 -0.000 0.000 0.245 129 D C -0.339 175.916 176.300 -0.075 0.000 1.325 129 D CA -0.337 53.625 54.000 -0.065 0.000 0.952 129 D CB 1.353 42.122 40.800 -0.052 0.000 1.317 129 D HN -0.067 nan 8.370 nan 0.000 0.577 130 T N 0.446 114.961 114.554 -0.064 0.000 3.248 130 T HA 0.321 4.671 4.350 -0.000 0.000 0.271 130 T C 0.780 175.453 174.700 -0.046 0.000 1.005 130 T CA -0.142 61.919 62.100 -0.065 0.000 0.902 130 T CB 0.147 68.979 68.868 -0.060 0.000 1.102 130 T HN 0.119 nan 8.240 nan 0.000 0.548 131 V N -0.215 119.677 119.914 -0.037 0.000 3.177 131 V HA 0.186 4.306 4.120 -0.000 0.000 0.219 131 V C 0.961 177.048 176.094 -0.011 0.000 1.344 131 V CA 0.171 62.458 62.300 -0.022 0.000 1.324 131 V CB -0.049 31.763 31.823 -0.018 0.000 1.165 131 V HN 0.471 nan 8.190 nan 0.000 0.510 132 T N 4.330 118.876 114.554 -0.012 0.000 2.792 132 T HA 0.125 4.474 4.350 -0.000 0.000 0.286 132 T C -2.435 172.268 174.700 0.005 0.000 0.970 132 T CA -0.273 61.828 62.100 0.002 0.000 1.187 132 T CB 0.347 69.215 68.868 -0.001 0.000 0.915 132 T HN 0.174 nan 8.240 nan 0.000 0.529 133 P HA 0.096 nan 4.420 nan 0.000 0.262 133 P C -0.027 177.276 177.300 0.006 0.000 1.182 133 P CA 0.061 63.178 63.100 0.028 0.000 0.761 133 P CB 0.267 32.027 31.700 0.100 0.000 0.795 134 I N 2.722 123.279 120.570 -0.022 0.000 2.474 134 I HA 0.112 4.282 4.170 -0.000 0.000 0.287 134 I C 1.051 177.155 176.117 -0.023 0.000 1.048 134 I CA -0.312 60.979 61.300 -0.015 0.000 1.383 134 I CB 0.566 38.549 38.000 -0.028 0.000 1.412 134 I HN 0.299 nan 8.210 nan 0.000 0.531 135 D N 4.125 124.524 120.400 -0.001 0.000 2.382 135 D HA 0.249 4.889 4.640 -0.000 0.000 0.240 135 D C -0.332 175.934 176.300 -0.057 0.000 1.146 135 D CA 0.258 54.243 54.000 -0.024 0.000 0.897 135 D CB 0.893 41.693 40.800 0.000 0.000 1.197 135 D HN 0.645 nan 8.370 nan 0.000 0.432 136 T N -1.316 113.176 114.554 -0.105 0.000 2.883 136 T HA 0.589 4.939 4.350 -0.000 0.000 0.301 136 T C -0.581 173.965 174.700 -0.256 0.000 1.158 136 T CA -0.924 61.071 62.100 -0.175 0.000 1.007 136 T CB 1.429 70.223 68.868 -0.124 0.000 1.186 136 T HN 0.178 nan 8.240 nan 0.000 0.499 137 T N 2.305 116.549 114.554 -0.517 0.000 2.794 137 T HA 0.603 4.953 4.350 -0.000 0.000 0.280 137 T C -0.424 174.033 174.700 -0.405 0.000 0.987 137 T CA -0.595 61.191 62.100 -0.523 0.000 0.993 137 T CB 0.813 69.207 68.868 -0.791 0.000 0.939 137 T HN 0.741 nan 8.240 nan 0.000 0.449 138 I N 4.394 124.889 120.570 -0.125 0.000 2.354 138 I HA 0.532 4.702 4.170 -0.000 0.000 0.292 138 I C -0.938 175.221 176.117 0.069 0.000 0.989 138 I CA -0.722 60.592 61.300 0.024 0.000 1.188 138 I CB 0.567 38.624 38.000 0.096 0.000 1.342 138 I HN 0.421 nan 8.210 nan 0.000 0.457 139 M N 6.254 125.942 119.600 0.146 0.000 2.593 139 M HA 0.524 5.004 4.480 -0.000 0.000 0.290 139 M C -0.661 175.707 176.300 0.112 0.000 1.244 139 M CA -0.641 54.745 55.300 0.143 0.000 0.857 139 M CB 1.822 34.563 32.600 0.234 0.000 1.738 139 M HN 0.574 nan 8.290 nan 0.000 0.461 140 A N 1.841 124.707 122.820 0.076 0.000 2.289 140 A HA 0.533 4.853 4.320 -0.000 0.000 0.298 140 A C -0.128 177.497 177.584 0.068 0.000 1.208 140 A CA -0.538 51.535 52.037 0.059 0.000 0.845 140 A CB 0.348 19.369 19.000 0.034 0.000 1.125 140 A HN 0.740 nan 8.150 nan 0.000 0.517 141 K N 1.899 122.341 120.400 0.071 0.000 2.237 141 K HA 0.150 4.470 4.320 -0.000 0.000 0.270 141 K C -0.703 175.922 176.600 0.043 0.000 1.015 141 K CA 0.018 56.338 56.287 0.056 0.000 0.949 141 K CB 0.631 33.168 32.500 0.062 0.000 0.976 141 K HN 0.762 nan 8.250 nan 0.000 0.472 142 N N 2.286 120.991 118.700 0.009 0.000 2.469 142 N HA 0.140 4.880 4.740 -0.000 0.000 0.253 142 N C -1.261 174.181 175.510 -0.113 0.000 0.970 142 N CA -0.375 52.659 53.050 -0.027 0.000 0.940 142 N CB 1.221 39.699 38.487 -0.015 0.000 1.128 142 N HN 0.394 nan 8.380 nan 0.000 0.503 143 E N 0.833 120.945 120.200 -0.146 0.000 2.343 143 E HA 0.461 4.811 4.350 -0.000 0.000 0.270 143 E C -1.014 175.232 176.600 -0.589 0.000 0.895 143 E CA -0.986 55.211 56.400 -0.338 0.000 0.767 143 E CB 2.558 32.120 29.700 -0.231 0.000 1.248 143 E HN 0.093 nan 8.360 nan 0.000 0.440 144 V N 2.708 122.088 119.914 -0.892 0.000 2.472 144 V HA 0.515 4.635 4.120 -0.000 0.000 0.290 144 V C -0.779 174.624 176.094 -1.151 0.000 1.037 144 V CA -0.199 61.528 62.300 -0.954 0.000 0.908 144 V CB 0.251 31.543 31.823 -0.886 0.000 0.985 144 V HN 0.520 nan 8.190 nan 0.000 0.454 145 F N 2.086 121.634 119.950 -0.670 0.000 2.715 145 F HA 0.619 5.146 4.527 -0.000 0.000 0.318 145 F C -0.060 175.477 175.800 -0.438 0.000 1.141 145 F CA -0.694 56.991 58.000 -0.524 0.000 0.950 145 F CB 1.427 40.108 39.000 -0.532 0.000 1.374 145 F HN 0.548 nan 8.300 nan 0.000 0.477 146 C N 2.498 121.855 119.300 0.094 0.000 2.411 146 C HA 0.816 5.276 4.460 -0.000 0.000 0.330 146 C C -0.091 175.084 174.990 0.309 0.000 1.224 146 C CA -0.709 58.411 59.018 0.170 0.000 1.770 146 C CB 0.228 28.034 27.740 0.109 0.000 2.297 146 C HN 0.739 nan 8.230 nan 0.000 0.507 147 V N 4.932 125.053 119.914 0.345 0.000 2.872 147 V HA 0.303 4.423 4.120 -0.000 0.000 0.307 147 V C -0.216 175.955 176.094 0.128 0.000 1.072 147 V CA 0.391 62.838 62.300 0.245 0.000 1.148 147 V CB 0.367 32.259 31.823 0.114 0.000 0.954 147 V HN 0.926 nan 8.190 nan 0.000 0.490 148 Q N 4.048 123.894 119.800 0.076 0.000 2.558 148 Q HA 0.327 4.666 4.340 -0.000 0.000 0.252 148 Q C -2.106 173.897 176.000 0.006 0.000 1.015 148 Q CA -1.682 54.142 55.803 0.034 0.000 0.720 148 Q CB 1.816 30.567 28.738 0.022 0.000 1.215 148 Q HN 0.601 nan 8.270 nan 0.000 0.500 149 P HA -0.300 nan 4.420 nan 0.000 0.216 149 P C 1.279 178.570 177.300 -0.015 0.000 1.157 149 P CA 1.431 64.524 63.100 -0.012 0.000 0.880 149 P CB 0.262 31.955 31.700 -0.011 0.000 0.791 150 E N 0.674 120.868 120.200 -0.011 0.000 2.209 150 E HA -0.246 4.104 4.350 -0.000 0.000 0.196 150 E C 1.864 178.454 176.600 -0.016 0.000 0.993 150 E CA 1.375 57.768 56.400 -0.013 0.000 0.819 150 E CB -0.800 28.894 29.700 -0.010 0.000 0.745 150 E HN 0.296 nan 8.360 nan 0.000 0.477 151 K N 0.614 121.003 120.400 -0.018 0.000 2.217 151 K HA -0.064 4.256 4.320 -0.000 0.000 0.202 151 K C 1.086 177.669 176.600 -0.029 0.000 1.051 151 K CA 1.179 57.451 56.287 -0.025 0.000 0.952 151 K CB -0.175 32.308 32.500 -0.029 0.000 0.736 151 K HN 0.326 nan 8.250 nan 0.000 0.453 152 G N -0.519 108.263 108.800 -0.030 0.000 2.141 152 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.242 152 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.242 152 G C 0.163 175.036 174.900 -0.045 0.000 0.982 152 G CA 0.095 45.175 45.100 -0.034 0.000 0.662 152 G HN 0.806 nan 8.290 nan 0.000 0.527 153 G N -1.566 107.201 108.800 -0.056 0.000 2.340 153 G HA2 0.542 4.502 3.960 -0.000 0.000 0.300 153 G HA3 0.542 4.502 3.960 -0.000 0.000 0.300 153 G C -0.519 174.319 174.900 -0.102 0.000 1.488 153 G CA -0.363 44.689 45.100 -0.080 0.000 0.878 153 G HN 0.514 nan 8.290 nan 0.000 0.618 154 R N 0.083 120.481 120.500 -0.170 0.000 2.679 154 R HA 0.357 4.697 4.340 -0.000 0.000 0.269 154 R C 0.303 176.535 176.300 -0.114 0.000 1.076 154 R CA -0.257 55.695 56.100 -0.247 0.000 1.160 154 R CB 0.663 30.620 30.300 -0.571 0.000 1.054 154 R HN 0.411 nan 8.270 nan 0.000 0.507 155 K N 2.356 122.742 120.400 -0.024 0.000 2.322 155 K HA 0.194 4.514 4.320 -0.000 0.000 0.283 155 K C -2.199 174.393 176.600 -0.014 0.000 1.042 155 K CA -1.485 54.750 56.287 -0.086 0.000 0.958 155 K CB 0.659 32.960 32.500 -0.333 0.000 0.984 155 K HN 0.283 nan 8.250 nan 0.000 0.473 156 P HA 0.024 nan 4.420 nan 0.000 0.274 156 P C -0.914 176.406 177.300 0.033 0.000 1.237 156 P CA -0.309 62.792 63.100 0.002 0.000 0.793 156 P CB 0.706 32.398 31.700 -0.014 0.000 0.977 157 A N 2.755 125.606 122.820 0.051 0.000 2.483 157 A HA 0.146 4.466 4.320 -0.000 0.000 0.238 157 A C 0.449 178.071 177.584 0.063 0.000 1.070 157 A CA 0.067 52.149 52.037 0.075 0.000 0.770 157 A CB -0.165 18.873 19.000 0.063 0.000 1.008 157 A HN 0.466 nan 8.150 nan 0.000 0.497 158 R N 0.252 120.806 120.500 0.090 0.000 2.560 158 R HA 0.512 4.851 4.340 -0.000 0.000 0.270 158 R C -0.785 175.567 176.300 0.087 0.000 1.074 158 R CA -0.291 55.865 56.100 0.094 0.000 1.140 158 R CB 0.560 30.931 30.300 0.119 0.000 1.073 158 R HN 0.670 nan 8.270 nan 0.000 0.527 159 L N 2.804 124.085 121.223 0.096 0.000 2.317 159 L HA 0.493 4.833 4.340 -0.000 0.000 0.281 159 L C -0.551 176.408 176.870 0.148 0.000 1.024 159 L CA -0.918 53.983 54.840 0.102 0.000 0.810 159 L CB 1.572 43.675 42.059 0.073 0.000 1.240 159 L HN 0.449 nan 8.230 nan 0.000 0.427 160 I N 3.105 123.779 120.570 0.174 0.000 2.433 160 I HA 0.474 4.644 4.170 -0.000 0.000 0.292 160 I C -0.779 175.523 176.117 0.308 0.000 1.001 160 I CA -0.334 61.104 61.300 0.231 0.000 1.119 160 I CB 1.849 39.975 38.000 0.209 0.000 1.289 160 I HN 0.188 nan 8.210 nan 0.000 0.438 161 V N 8.867 128.959 119.914 0.297 0.000 2.409 161 V HA 0.601 4.721 4.120 -0.000 0.000 0.291 161 V C -0.727 175.550 176.094 0.304 0.000 1.020 161 V CA -0.511 61.922 62.300 0.222 0.000 0.848 161 V CB 1.079 33.003 31.823 0.169 0.000 0.990 161 V HN 0.598 nan 8.190 nan 0.000 0.430 162 F N 4.899 124.896 119.950 0.078 0.000 2.619 162 F HA 0.920 5.447 4.527 -0.000 0.000 0.308 162 F C -3.092 172.746 175.800 0.064 0.000 1.097 162 F CA -2.382 55.663 58.000 0.076 0.000 0.953 162 F CB 1.867 40.906 39.000 0.066 0.000 1.287 162 F HN 0.310 nan 8.300 nan 0.000 0.446 163 P HA 0.195 nan 4.420 nan 0.000 0.281 163 P C -1.056 176.339 177.300 0.158 0.000 1.281 163 P CA -0.155 62.986 63.100 0.068 0.000 0.811 163 P CB 1.292 33.053 31.700 0.103 0.000 1.154 164 D N -0.849 119.624 120.400 0.122 0.000 2.390 164 D HA -0.069 4.571 4.640 -0.000 0.000 0.236 164 D C 1.367 177.774 176.300 0.179 0.000 1.189 164 D CA -0.238 53.856 54.000 0.156 0.000 0.887 164 D CB 0.263 41.184 40.800 0.202 0.000 1.198 164 D HN 0.106 nan 8.370 nan 0.000 0.444 165 L N 3.008 124.311 121.223 0.134 0.000 2.081 165 L HA -0.020 4.320 4.340 -0.000 0.000 0.212 165 L C 2.032 179.005 176.870 0.172 0.000 1.080 165 L CA 2.562 57.471 54.840 0.113 0.000 0.754 165 L CB -1.050 41.016 42.059 0.012 0.000 0.893 165 L HN 0.650 nan 8.230 nan 0.000 0.433 166 G N -1.395 107.546 108.800 0.236 0.000 2.422 166 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.218 166 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.218 166 G C 1.483 176.503 174.900 0.198 0.000 1.146 166 G CA 0.995 46.257 45.100 0.270 0.000 0.769 166 G HN 0.364 nan 8.290 nan 0.000 0.547 167 V N 0.700 120.724 119.914 0.182 0.000 2.427 167 V HA -0.128 3.991 4.120 -0.000 0.000 0.248 167 V C 2.872 179.064 176.094 0.163 0.000 1.051 167 V CA 1.702 64.095 62.300 0.156 0.000 1.048 167 V CB -0.465 31.434 31.823 0.127 0.000 0.666 167 V HN 0.310 nan 8.190 nan 0.000 0.456 168 R N -0.141 120.456 120.500 0.162 0.000 2.081 168 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 168 R C 2.276 178.652 176.300 0.128 0.000 1.131 168 R CA 1.392 57.582 56.100 0.150 0.000 0.960 168 R CB -0.636 29.743 30.300 0.132 0.000 0.856 168 R HN 0.411 nan 8.270 nan 0.000 0.436 169 V N 0.497 120.479 119.914 0.113 0.000 2.407 169 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 169 V C 2.444 178.592 176.094 0.089 0.000 1.055 169 V CA 1.549 63.891 62.300 0.070 0.000 1.049 169 V CB -0.399 31.454 31.823 0.051 0.000 0.662 169 V HN 0.461 nan 8.190 nan 0.000 0.455 170 C N -0.328 119.075 119.300 0.171 0.000 2.435 170 C HA -0.103 4.357 4.460 -0.000 0.000 0.279 170 C C 2.623 177.812 174.990 0.331 0.000 1.321 170 C CA 0.637 59.842 59.018 0.311 0.000 1.752 170 C CB -0.939 27.069 27.740 0.446 0.000 1.959 170 C HN 0.619 nan 8.230 nan 0.000 0.500 171 E N 0.976 121.320 120.200 0.241 0.000 2.051 171 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 171 E C 2.155 178.887 176.600 0.220 0.000 0.991 171 E CA 1.200 57.745 56.400 0.243 0.000 0.799 171 E CB -0.131 29.715 29.700 0.243 0.000 0.748 171 E HN 0.627 nan 8.360 nan 0.000 0.449 172 K N 0.397 120.898 120.400 0.169 0.000 2.009 172 K HA -0.152 4.167 4.320 -0.000 0.000 0.210 172 K C 2.244 178.921 176.600 0.129 0.000 1.049 172 K CA 1.594 57.970 56.287 0.149 0.000 0.929 172 K CB -0.173 32.348 32.500 0.034 0.000 0.714 172 K HN 0.120 nan 8.250 nan 0.000 0.440 173 M N 0.255 119.886 119.600 0.052 0.000 2.080 173 M HA -0.199 4.280 4.480 -0.000 0.000 0.260 173 M C 2.443 178.794 176.300 0.085 0.000 1.068 173 M CA 1.889 57.159 55.300 -0.051 0.000 1.109 173 M CB -0.399 31.988 32.600 -0.356 0.000 1.342 173 M HN 0.251 nan 8.290 nan 0.000 0.405 174 A N -0.722 122.265 122.820 0.279 0.000 2.016 174 A HA 0.084 4.404 4.320 -0.000 0.000 0.217 174 A C 1.791 179.484 177.584 0.182 0.000 1.162 174 A CA 1.051 53.297 52.037 0.349 0.000 0.662 174 A CB -0.136 19.138 19.000 0.456 0.000 0.812 174 A HN 0.499 nan 8.150 nan 0.000 0.450 175 L N -3.205 118.110 121.223 0.153 0.000 3.039 175 L HA 0.205 4.545 4.340 -0.000 0.000 0.269 175 L C 1.729 178.634 176.870 0.058 0.000 1.169 175 L CA 0.000 54.870 54.840 0.050 0.000 0.986 175 L CB 0.043 42.099 42.059 -0.005 0.000 1.377 175 L HN 0.426 nan 8.230 nan 0.000 0.575 176 Y N 1.509 121.831 120.300 0.036 0.000 2.128 176 Y HA -0.340 4.210 4.550 -0.000 0.000 0.284 176 Y C 2.194 178.131 175.900 0.062 0.000 1.154 176 Y CA 2.334 60.472 58.100 0.064 0.000 1.149 176 Y CB 0.103 38.594 38.460 0.053 0.000 0.976 176 Y HN 0.248 nan 8.280 nan 0.000 0.505 177 D N -0.779 119.672 120.400 0.085 0.000 2.144 177 D HA -0.163 4.476 4.640 -0.000 0.000 0.199 177 D C 2.148 178.391 176.300 -0.094 0.000 0.984 177 D CA 1.388 55.385 54.000 -0.006 0.000 0.834 177 D CB -0.169 40.673 40.800 0.071 0.000 0.955 177 D HN 0.269 nan 8.370 nan 0.000 0.465 178 V N 0.393 120.248 119.914 -0.099 0.000 2.244 178 V HA -0.222 3.898 4.120 -0.000 0.000 0.244 178 V C 2.711 178.686 176.094 -0.198 0.000 1.042 178 V CA 1.788 63.999 62.300 -0.148 0.000 1.006 178 V CB -0.724 30.961 31.823 -0.230 0.000 0.641 178 V HN 0.336 nan 8.190 nan 0.000 0.446 179 V N -2.110 117.660 119.914 -0.241 0.000 2.720 179 V HA -0.139 3.980 4.120 -0.000 0.000 0.256 179 V C 2.041 177.968 176.094 -0.278 0.000 1.082 179 V CA 2.216 64.372 62.300 -0.240 0.000 1.101 179 V CB -0.649 31.052 31.823 -0.203 0.000 0.693 179 V HN 0.466 nan 8.190 nan 0.000 0.479 180 S N 0.769 116.296 115.700 -0.288 0.000 2.478 180 S HA -0.017 4.453 4.470 -0.000 0.000 0.222 180 S C 1.865 176.373 174.600 -0.155 0.000 1.008 180 S CA 1.352 59.404 58.200 -0.247 0.000 0.928 180 S CB 0.032 63.021 63.200 -0.351 0.000 0.781 180 S HN 0.961 nan 8.310 nan 0.000 0.518 181 T N -1.306 113.156 114.554 -0.154 0.000 2.989 181 T HA 0.249 4.599 4.350 -0.000 0.000 0.250 181 T C 1.562 176.168 174.700 -0.156 0.000 0.981 181 T CA -0.119 61.909 62.100 -0.121 0.000 0.980 181 T CB -0.481 68.344 68.868 -0.073 0.000 1.133 181 T HN 0.134 nan 8.240 nan 0.000 0.489 182 L N 3.407 124.535 121.223 -0.157 0.000 2.017 182 L HA 0.167 4.506 4.340 -0.000 0.000 0.208 182 L C -0.689 176.029 176.870 -0.253 0.000 1.073 182 L CA 1.982 56.734 54.840 -0.147 0.000 0.745 182 L CB -1.129 40.895 42.059 -0.058 0.000 0.894 182 L HN 0.113 nan 8.230 nan 0.000 0.432 183 P HA -0.289 nan 4.420 nan 0.000 0.216 183 P C 1.493 178.336 177.300 -0.761 0.000 1.153 183 P CA 1.802 64.500 63.100 -0.670 0.000 0.858 183 P CB -0.158 30.922 31.700 -1.033 0.000 0.789 184 Q N -0.133 119.248 119.800 -0.698 0.000 2.170 184 Q HA -0.091 4.248 4.340 -0.000 0.000 0.203 184 Q C 2.089 177.953 176.000 -0.225 0.000 0.976 184 Q CA 1.274 56.865 55.803 -0.353 0.000 0.858 184 Q CB -0.254 28.402 28.738 -0.138 0.000 0.907 184 Q HN 0.035 nan 8.270 nan 0.000 0.433 185 V N -0.225 119.565 119.914 -0.207 0.000 2.323 185 V HA -0.203 3.916 4.120 -0.000 0.000 0.244 185 V C 2.234 178.240 176.094 -0.147 0.000 1.041 185 V CA 1.341 63.559 62.300 -0.138 0.000 1.025 185 V CB -0.232 31.528 31.823 -0.105 0.000 0.656 185 V HN 0.235 nan 8.190 nan 0.000 0.451 186 V N -0.579 119.217 119.914 -0.197 0.000 2.427 186 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 186 V C 2.093 178.016 176.094 -0.286 0.000 1.051 186 V CA 2.116 64.294 62.300 -0.203 0.000 1.048 186 V CB -0.475 31.217 31.823 -0.217 0.000 0.666 186 V HN 0.475 nan 8.190 nan 0.000 0.456 187 M N -1.196 118.171 119.600 -0.388 0.000 2.414 187 M HA 0.355 4.835 4.480 -0.000 0.000 0.251 187 M C 1.409 177.592 176.300 -0.195 0.000 1.116 187 M CA 0.762 55.757 55.300 -0.509 0.000 1.056 187 M CB 0.368 32.553 32.600 -0.692 0.000 1.388 187 M HN 0.479 nan 8.290 nan 0.000 0.487 188 G N 1.566 110.289 108.800 -0.128 0.000 2.566 188 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.280 188 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.280 188 G C 0.742 175.608 174.900 -0.056 0.000 1.225 188 G CA 0.607 45.674 45.100 -0.055 0.000 0.966 188 G HN 0.506 nan 8.290 nan 0.000 0.560 189 S N -0.698 114.982 115.700 -0.032 0.000 2.469 189 S HA 0.020 4.489 4.470 -0.000 0.000 0.238 189 S C 2.221 176.679 174.600 -0.236 0.000 0.998 189 S CA 2.015 60.136 58.200 -0.132 0.000 0.957 189 S CB -0.168 62.996 63.200 -0.060 0.000 0.764 189 S HN 1.107 nan 8.310 nan 0.000 0.514 190 S N 0.242 115.925 115.700 -0.027 0.000 2.481 190 S HA 0.075 4.545 4.470 -0.000 0.000 0.231 190 S C 0.301 174.919 174.600 0.030 0.000 0.996 190 S CA 0.051 58.294 58.200 0.071 0.000 0.942 190 S CB -0.443 62.931 63.200 0.290 0.000 0.768 190 S HN 0.695 nan 8.310 nan 0.000 0.520 191 Y N 3.060 123.248 120.300 -0.187 0.000 2.637 191 Y HA 0.418 4.967 4.550 -0.000 0.000 0.350 191 Y C 1.264 177.000 175.900 -0.273 0.000 1.069 191 Y CA -1.367 56.601 58.100 -0.219 0.000 1.397 191 Y CB -0.048 38.275 38.460 -0.229 0.000 1.163 191 Y HN 0.056 nan 8.280 nan 0.000 0.527 192 G N 4.511 112.915 108.800 -0.660 0.000 2.484 192 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.218 192 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.218 192 G C 1.110 175.572 174.900 -0.730 0.000 1.130 192 G CA 0.069 44.837 45.100 -0.553 0.000 0.784 192 G HN 0.697 nan 8.290 nan 0.000 0.543 193 F N 1.041 120.363 119.950 -1.047 0.000 2.802 193 F HA 0.050 4.576 4.527 -0.000 0.000 0.300 193 F C 2.755 178.384 175.800 -0.286 0.000 1.168 193 F CA 0.805 58.298 58.000 -0.845 0.000 1.433 193 F CB 0.252 38.673 39.000 -0.964 0.000 1.115 193 F HN 0.308 nan 8.300 nan 0.000 0.582 194 Q N -0.474 119.137 119.800 -0.314 0.000 2.360 194 Q HA 0.024 4.364 4.340 -0.000 0.000 0.202 194 Q C -0.580 175.297 176.000 -0.205 0.000 0.915 194 Q CA 0.332 56.019 55.803 -0.193 0.000 0.943 194 Q CB -0.123 28.395 28.738 -0.366 0.000 1.064 194 Q HN 0.401 nan 8.270 nan 0.000 0.511 195 Y N 1.418 121.768 120.300 0.083 0.000 2.420 195 Y HA 0.354 4.904 4.550 -0.000 0.000 0.334 195 Y C 0.591 176.404 175.900 -0.144 0.000 1.094 195 Y CA -1.097 56.991 58.100 -0.019 0.000 1.126 195 Y CB 1.627 40.029 38.460 -0.098 0.000 1.217 195 Y HN 0.078 nan 8.280 nan 0.000 0.462 196 S N 1.506 117.014 115.700 -0.321 0.000 2.681 196 S HA 0.300 4.770 4.470 -0.000 0.000 0.270 196 S C -2.155 172.113 174.600 -0.554 0.000 1.209 196 S CA -1.212 56.278 58.200 -1.185 0.000 0.988 196 S CB 1.461 64.069 63.200 -0.987 0.000 1.006 196 S HN 0.405 nan 8.310 nan 0.000 0.558 197 P HA -0.012 nan 4.420 nan 0.000 0.215 197 P C 1.756 178.973 177.300 -0.138 0.000 1.157 197 P CA 1.772 64.739 63.100 -0.222 0.000 0.874 197 P CB -0.551 31.071 31.700 -0.130 0.000 0.790 198 G N -0.333 108.360 108.800 -0.178 0.000 2.440 198 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.218 198 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.218 198 G C 1.522 176.366 174.900 -0.095 0.000 1.154 198 G CA 0.698 45.746 45.100 -0.087 0.000 0.767 198 G HN 0.322 nan 8.290 nan 0.000 0.552 199 Q N -0.558 119.169 119.800 -0.122 0.000 2.167 199 Q HA 0.006 4.346 4.340 -0.000 0.000 0.202 199 Q C 2.585 178.434 176.000 -0.253 0.000 0.970 199 Q CA 0.907 56.655 55.803 -0.090 0.000 0.855 199 Q CB -0.123 28.659 28.738 0.074 0.000 0.911 199 Q HN 0.477 nan 8.270 nan 0.000 0.438 200 R N 0.363 120.737 120.500 -0.212 0.000 2.073 200 R HA -0.130 4.209 4.340 -0.000 0.000 0.234 200 R C 2.080 178.280 176.300 -0.168 0.000 1.134 200 R CA 1.253 57.201 56.100 -0.252 0.000 0.952 200 R CB -0.160 30.086 30.300 -0.091 0.000 0.850 200 R HN 0.098 nan 8.270 nan 0.000 0.433 201 V N 1.528 121.375 119.914 -0.112 0.000 2.343 201 V HA -0.246 3.873 4.120 -0.000 0.000 0.247 201 V C 2.392 178.406 176.094 -0.132 0.000 1.051 201 V CA 2.251 64.492 62.300 -0.099 0.000 1.036 201 V CB -0.590 31.214 31.823 -0.031 0.000 0.654 201 V HN 0.508 nan 8.190 nan 0.000 0.451 202 E N -0.372 119.763 120.200 -0.108 0.000 2.077 202 E HA -0.282 4.068 4.350 -0.000 0.000 0.193 202 E C 2.140 178.675 176.600 -0.110 0.000 0.989 202 E CA 1.776 58.118 56.400 -0.096 0.000 0.800 202 E CB -0.227 29.440 29.700 -0.054 0.000 0.746 202 E HN 0.612 nan 8.360 nan 0.000 0.452 203 F N 0.962 120.726 119.950 -0.310 0.000 2.146 203 F HA -0.131 4.396 4.527 -0.000 0.000 0.298 203 F C 1.988 177.661 175.800 -0.211 0.000 1.096 203 F CA 1.067 58.881 58.000 -0.310 0.000 1.275 203 F CB 0.017 38.668 39.000 -0.582 0.000 1.008 203 F HN -0.002 nan 8.300 nan 0.000 0.480 204 L N -0.616 120.460 121.223 -0.245 0.000 2.017 204 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 204 L C 2.347 179.058 176.870 -0.265 0.000 1.073 204 L CA 1.023 55.700 54.840 -0.271 0.000 0.745 204 L CB -0.808 41.142 42.059 -0.182 0.000 0.894 204 L HN 0.025 nan 8.230 nan 0.000 0.432 205 V N 0.142 119.884 119.914 -0.287 0.000 2.270 205 V HA -0.290 3.829 4.120 -0.000 0.000 0.245 205 V C 2.031 178.008 176.094 -0.195 0.000 1.043 205 V CA 2.242 64.352 62.300 -0.318 0.000 1.014 205 V CB -0.779 30.726 31.823 -0.530 0.000 0.645 205 V HN 0.500 nan 8.190 nan 0.000 0.447 206 N N -0.285 118.288 118.700 -0.211 0.000 2.069 206 N HA -0.186 4.554 4.740 -0.000 0.000 0.191 206 N C 1.810 177.202 175.510 -0.197 0.000 1.031 206 N CA 1.841 54.790 53.050 -0.167 0.000 0.852 206 N CB -0.264 38.139 38.487 -0.140 0.000 1.018 206 N HN 0.446 nan 8.380 nan 0.000 0.423 207 T N 0.334 114.683 114.554 -0.342 0.000 2.708 207 T HA -0.195 4.155 4.350 -0.000 0.000 0.266 207 T C 1.330 175.935 174.700 -0.158 0.000 1.037 207 T CA 0.823 62.712 62.100 -0.351 0.000 1.146 207 T CB -0.353 68.147 68.868 -0.614 0.000 0.865 207 T HN 0.439 nan 8.240 nan 0.000 0.435 208 W N 2.285 123.415 121.300 -0.283 0.000 2.335 208 W HA -0.121 4.539 4.660 -0.000 0.000 0.311 208 W C 1.854 178.281 176.519 -0.153 0.000 1.213 208 W CA 1.278 58.501 57.345 -0.203 0.000 1.274 208 W CB -0.201 29.134 29.460 -0.208 0.000 1.148 208 W HN 0.257 nan 8.180 nan 0.000 0.498 209 K N 0.281 120.690 120.400 0.015 0.000 2.283 209 K HA -0.133 4.187 4.320 -0.000 0.000 0.202 209 K C 2.086 178.622 176.600 -0.107 0.000 1.048 209 K CA 1.577 57.837 56.287 -0.045 0.000 0.948 209 K CB -0.333 32.161 32.500 -0.011 0.000 0.742 209 K HN 0.075 nan 8.250 nan 0.000 0.458 210 S N 0.572 116.197 115.700 -0.125 0.000 2.515 210 S HA -0.004 4.466 4.470 -0.000 0.000 0.231 210 S C 0.509 175.024 174.600 -0.142 0.000 0.987 210 S CA 0.298 58.428 58.200 -0.116 0.000 0.936 210 S CB 0.037 63.171 63.200 -0.110 0.000 0.766 210 S HN -0.028 nan 8.310 nan 0.000 0.528 211 K N 1.589 121.860 120.400 -0.215 0.000 2.143 211 K HA 0.347 4.667 4.320 -0.000 0.000 0.272 211 K C 0.709 177.181 176.600 -0.213 0.000 1.001 211 K CA -0.719 55.428 56.287 -0.233 0.000 0.915 211 K CB 1.141 33.434 32.500 -0.345 0.000 1.047 211 K HN -0.062 nan 8.250 nan 0.000 0.458 212 K N 1.452 121.759 120.400 -0.154 0.000 2.031 212 K HA -0.031 4.289 4.320 -0.000 0.000 0.205 212 K C -0.270 176.250 176.600 -0.134 0.000 1.049 212 K CA 1.259 57.475 56.287 -0.117 0.000 0.939 212 K CB 0.303 32.755 32.500 -0.081 0.000 0.717 212 K HN 0.494 nan 8.250 nan 0.000 0.438 213 N N 1.708 120.318 118.700 -0.150 0.000 2.762 213 N HA 0.231 4.971 4.740 -0.000 0.000 0.252 213 N C -2.731 172.651 175.510 -0.215 0.000 1.269 213 N CA -1.190 51.779 53.050 -0.135 0.000 0.799 213 N CB 1.755 40.201 38.487 -0.067 0.000 1.173 213 N HN 0.136 nan 8.380 nan 0.000 0.516 214 P HA 0.089 nan 4.420 nan 0.000 0.268 214 P C -0.228 176.732 177.300 -0.568 0.000 1.205 214 P CA -0.129 62.488 63.100 -0.805 0.000 0.771 214 P CB 1.140 31.725 31.700 -1.858 0.000 0.858 215 M N 2.421 121.764 119.600 -0.427 0.000 2.371 215 M HA 0.603 5.083 4.480 -0.000 0.000 0.287 215 M C -1.358 174.927 176.300 -0.026 0.000 1.149 215 M CA -0.226 54.952 55.300 -0.202 0.000 0.929 215 M CB 2.420 34.941 32.600 -0.133 0.000 1.683 215 M HN 0.583 nan 8.290 nan 0.000 0.470 216 G N 3.723 112.604 108.800 0.134 0.000 2.672 216 G HA2 0.877 4.837 3.960 -0.000 0.000 0.292 216 G HA3 0.877 4.837 3.960 -0.000 0.000 0.292 216 G C -1.997 173.003 174.900 0.166 0.000 1.375 216 G CA -0.632 44.565 45.100 0.162 0.000 0.890 216 G HN 0.854 nan 8.290 nan 0.000 0.476 217 F N -0.711 119.198 119.950 -0.069 0.000 2.703 217 F HA 0.756 5.283 4.527 -0.000 0.000 0.308 217 F C -0.366 175.407 175.800 -0.045 0.000 1.126 217 F CA -1.420 56.534 58.000 -0.077 0.000 0.959 217 F CB 1.208 40.141 39.000 -0.111 0.000 1.297 217 F HN 0.654 nan 8.300 nan 0.000 0.441 218 S N 1.256 117.018 115.700 0.102 0.000 2.565 218 S HA 0.652 5.122 4.470 -0.000 0.000 0.290 218 S C -1.582 173.177 174.600 0.265 0.000 1.150 218 S CA -0.612 57.624 58.200 0.060 0.000 1.058 218 S CB 1.728 64.949 63.200 0.035 0.000 1.032 218 S HN 0.874 nan 8.310 nan 0.000 0.510 219 Y N 1.773 122.154 120.300 0.134 0.000 2.328 219 Y HA 0.435 4.985 4.550 -0.000 0.000 0.333 219 Y C -0.958 175.050 175.900 0.180 0.000 0.958 219 Y CA -0.909 57.337 58.100 0.244 0.000 1.167 219 Y CB 1.230 39.931 38.460 0.402 0.000 1.151 219 Y HN 0.870 nan 8.280 nan 0.000 0.470 220 D N 4.552 124.795 120.400 -0.261 0.000 2.412 220 D HA 0.201 4.841 4.640 -0.000 0.000 0.224 220 D C -0.739 175.400 176.300 -0.270 0.000 1.093 220 D CA -0.118 53.787 54.000 -0.158 0.000 0.850 220 D CB 0.975 41.720 40.800 -0.093 0.000 1.046 220 D HN 0.442 nan 8.370 nan 0.000 0.507 221 T N 3.737 118.295 114.554 0.006 0.000 2.851 221 T HA 0.130 4.480 4.350 -0.000 0.000 0.298 221 T C 0.433 175.215 174.700 0.135 0.000 0.977 221 T CA -0.408 61.783 62.100 0.151 0.000 1.126 221 T CB 0.584 69.773 68.868 0.536 0.000 0.916 221 T HN 0.336 nan 8.240 nan 0.000 0.529 222 R N 2.218 122.761 120.500 0.072 0.000 2.370 222 R HA 0.163 4.503 4.340 -0.000 0.000 0.309 222 R C -0.080 176.318 176.300 0.163 0.000 1.059 222 R CA -0.308 55.832 56.100 0.066 0.000 0.981 222 R CB -0.434 29.852 30.300 -0.022 0.000 0.972 222 R HN 0.922 nan 8.270 nan 0.000 0.437 223 C N 5.706 125.132 119.300 0.209 0.000 3.563 223 C HA -0.168 4.291 4.460 -0.000 0.000 0.284 223 C C 1.390 176.585 174.990 0.343 0.000 1.356 223 C CA 0.225 59.421 59.018 0.296 0.000 2.166 223 C CB -3.032 24.944 27.740 0.395 0.000 1.399 223 C HN 1.040 nan 8.230 nan 0.000 0.583 224 F N 1.982 122.046 119.950 0.190 0.000 2.063 224 F HA -0.237 4.290 4.527 -0.000 0.000 0.298 224 F C 1.975 177.882 175.800 0.179 0.000 1.105 224 F CA 2.514 60.626 58.000 0.187 0.000 1.215 224 F CB -0.061 39.037 39.000 0.164 0.000 0.972 224 F HN 0.452 nan 8.300 nan 0.000 0.483 225 D N -0.368 120.269 120.400 0.394 0.000 2.172 225 D HA -0.180 4.460 4.640 -0.000 0.000 0.196 225 D C 2.438 178.788 176.300 0.083 0.000 0.999 225 D CA 1.733 55.882 54.000 0.249 0.000 0.856 225 D CB -0.500 40.460 40.800 0.266 0.000 0.934 225 D HN 0.276 nan 8.370 nan 0.000 0.453 226 S N -0.718 115.052 115.700 0.117 0.000 2.428 226 S HA -0.096 4.373 4.470 -0.000 0.000 0.230 226 S C 2.021 176.567 174.600 -0.090 0.000 1.014 226 S CA 1.333 59.512 58.200 -0.035 0.000 0.957 226 S CB -0.187 63.007 63.200 -0.010 0.000 0.784 226 S HN 0.533 nan 8.310 nan 0.000 0.499 227 T N -0.268 114.310 114.554 0.040 0.000 3.085 227 T HA 0.113 4.463 4.350 -0.000 0.000 0.263 227 T C 0.600 175.214 174.700 -0.142 0.000 1.127 227 T CA 0.060 62.175 62.100 0.027 0.000 1.103 227 T CB -0.437 68.429 68.868 -0.002 0.000 0.921 227 T HN 0.040 nan 8.240 nan 0.000 0.510 228 V N 4.212 123.993 119.914 -0.221 0.000 2.446 228 V HA 0.276 4.396 4.120 -0.000 0.000 0.276 228 V C 1.225 177.253 176.094 -0.110 0.000 1.030 228 V CA -0.303 61.889 62.300 -0.181 0.000 1.033 228 V CB -0.205 31.542 31.823 -0.126 0.000 0.993 228 V HN 0.708 nan 8.190 nan 0.000 0.477 229 T N 1.536 116.043 114.554 -0.079 0.000 2.788 229 T HA 0.289 4.639 4.350 -0.000 0.000 0.280 229 T C 0.977 175.652 174.700 -0.042 0.000 0.984 229 T CA -0.534 61.528 62.100 -0.064 0.000 0.972 229 T CB 1.172 70.010 68.868 -0.050 0.000 1.039 229 T HN 0.573 nan 8.240 nan 0.000 0.530 230 E N 0.345 120.523 120.200 -0.037 0.000 2.110 230 E HA -0.082 4.268 4.350 -0.000 0.000 0.193 230 E C 2.036 178.635 176.600 -0.002 0.000 0.988 230 E CA 1.068 57.460 56.400 -0.013 0.000 0.804 230 E CB -0.363 29.330 29.700 -0.012 0.000 0.745 230 E HN 0.718 nan 8.360 nan 0.000 0.458 231 N N 0.509 119.202 118.700 -0.012 0.000 2.188 231 N HA -0.146 4.594 4.740 -0.000 0.000 0.184 231 N C 1.053 176.569 175.510 0.012 0.000 1.018 231 N CA 1.321 54.368 53.050 -0.005 0.000 0.858 231 N CB 0.015 38.489 38.487 -0.022 0.000 0.989 231 N HN 0.042 nan 8.380 nan 0.000 0.426 232 D N 0.084 120.489 120.400 0.008 0.000 2.123 232 D HA -0.110 4.530 4.640 -0.000 0.000 0.196 232 D C 1.880 178.191 176.300 0.018 0.000 0.992 232 D CA 0.911 54.930 54.000 0.030 0.000 0.833 232 D CB -0.224 40.586 40.800 0.016 0.000 0.954 232 D HN 0.414 nan 8.370 nan 0.000 0.455 233 I N 0.365 120.946 120.570 0.018 0.000 2.394 233 I HA -0.169 4.001 4.170 -0.000 0.000 0.251 233 I C 2.411 178.548 176.117 0.034 0.000 1.136 233 I CA 0.816 62.137 61.300 0.034 0.000 1.425 233 I CB -0.026 38.015 38.000 0.068 0.000 1.079 233 I HN -0.119 nan 8.210 nan 0.000 0.425 234 R N -0.164 120.352 120.500 0.027 0.000 2.119 234 R HA -0.019 4.321 4.340 -0.000 0.000 0.222 234 R C 2.315 178.610 176.300 -0.008 0.000 1.088 234 R CA 0.707 56.821 56.100 0.023 0.000 0.984 234 R CB -0.153 30.160 30.300 0.022 0.000 0.884 234 R HN 0.156 nan 8.270 nan 0.000 0.447 235 V N 1.275 121.183 119.914 -0.009 0.000 2.427 235 V HA -0.231 3.888 4.120 -0.000 0.000 0.248 235 V C 2.281 178.309 176.094 -0.110 0.000 1.051 235 V CA 1.810 64.095 62.300 -0.024 0.000 1.048 235 V CB -0.344 31.501 31.823 0.036 0.000 0.666 235 V HN 0.384 nan 8.190 nan 0.000 0.456 236 E N -0.002 120.111 120.200 -0.146 0.000 2.077 236 E HA -0.285 4.065 4.350 -0.000 0.000 0.193 236 E C 2.275 178.531 176.600 -0.574 0.000 0.989 236 E CA 1.528 57.719 56.400 -0.348 0.000 0.800 236 E CB -0.107 29.441 29.700 -0.253 0.000 0.746 236 E HN 0.694 nan 8.360 nan 0.000 0.452 237 E N 0.280 120.337 120.200 -0.239 0.000 2.110 237 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 237 E C 2.097 178.662 176.600 -0.059 0.000 0.988 237 E CA 1.414 57.778 56.400 -0.060 0.000 0.804 237 E CB -0.056 29.702 29.700 0.096 0.000 0.745 237 E HN 0.300 nan 8.360 nan 0.000 0.458 238 S N 0.311 115.966 115.700 -0.076 0.000 2.419 238 S HA -0.120 4.350 4.470 -0.000 0.000 0.233 238 S C 2.026 176.587 174.600 -0.064 0.000 1.016 238 S CA 0.832 59.007 58.200 -0.043 0.000 0.974 238 S CB -0.469 62.710 63.200 -0.034 0.000 0.786 238 S HN 0.305 nan 8.310 nan 0.000 0.492 239 I N -0.140 120.333 120.570 -0.160 0.000 2.286 239 I HA -0.094 4.076 4.170 -0.000 0.000 0.245 239 I C 2.217 178.313 176.117 -0.035 0.000 1.104 239 I CA 1.132 62.345 61.300 -0.145 0.000 1.397 239 I CB -0.450 37.408 38.000 -0.237 0.000 1.072 239 I HN 0.224 nan 8.210 nan 0.000 0.417 240 Y N 1.114 121.411 120.300 -0.004 0.000 2.181 240 Y HA -0.190 4.360 4.550 -0.000 0.000 0.288 240 Y C 2.683 178.589 175.900 0.009 0.000 1.146 240 Y CA 0.634 58.735 58.100 0.002 0.000 1.164 240 Y CB -0.971 37.504 38.460 0.024 0.000 0.982 240 Y HN 0.206 nan 8.280 nan 0.000 0.515 241 Q N -1.205 118.694 119.800 0.165 0.000 2.364 241 Q HA -0.135 4.205 4.340 -0.000 0.000 0.209 241 Q C 2.270 178.306 176.000 0.060 0.000 0.977 241 Q CA 0.921 56.783 55.803 0.098 0.000 0.885 241 Q CB -0.860 27.920 28.738 0.069 0.000 0.941 241 Q HN 0.489 nan 8.270 nan 0.000 0.464 242 C N 0.110 119.439 119.300 0.047 0.000 2.472 242 C HA 0.001 4.461 4.460 -0.000 0.000 0.278 242 C C 1.516 176.524 174.990 0.030 0.000 1.447 242 C CA -0.751 58.282 59.018 0.025 0.000 1.773 242 C CB -0.804 26.940 27.740 0.007 0.000 1.793 242 C HN 0.398 nan 8.230 nan 0.000 0.544 243 C N 1.358 120.687 119.300 0.048 0.000 2.649 243 C HA 0.170 4.630 4.460 -0.000 0.000 0.377 243 C C 0.556 175.566 174.990 0.034 0.000 1.321 243 C CA -0.207 58.834 59.018 0.039 0.000 2.368 243 C CB 0.025 27.795 27.740 0.050 0.000 2.597 243 C HN 0.473 nan 8.230 nan 0.000 0.678 244 D N 1.684 122.099 120.400 0.026 0.000 2.352 244 D HA 0.461 5.101 4.640 -0.000 0.000 0.245 244 D C -0.681 175.638 176.300 0.031 0.000 1.224 244 D CA 0.330 54.345 54.000 0.024 0.000 0.879 244 D CB -0.092 40.718 40.800 0.018 0.000 1.057 244 D HN 0.366 nan 8.370 nan 0.000 0.491 245 L N 1.817 123.063 121.223 0.038 0.000 2.333 245 L HA 0.689 5.029 4.340 -0.000 0.000 0.263 245 L C 0.323 177.222 176.870 0.048 0.000 1.014 245 L CA -1.489 53.379 54.840 0.047 0.000 0.820 245 L CB 1.815 43.908 42.059 0.057 0.000 1.352 245 L HN 0.272 nan 8.230 nan 0.000 0.421 246 A N 1.522 124.377 122.820 0.059 0.000 2.425 246 A HA 0.427 4.747 4.320 -0.000 0.000 0.249 246 A C -1.798 175.827 177.584 0.068 0.000 1.084 246 A CA -1.071 51.003 52.037 0.062 0.000 0.781 246 A CB 0.087 19.132 19.000 0.075 0.000 1.019 246 A HN 0.626 nan 8.150 nan 0.000 0.490 247 P HA -0.227 nan 4.420 nan 0.000 0.218 247 P C 1.168 178.499 177.300 0.051 0.000 1.154 247 P CA 1.841 64.968 63.100 0.044 0.000 0.872 247 P CB 0.216 31.937 31.700 0.035 0.000 0.790 248 E N -1.046 119.209 120.200 0.091 0.000 2.077 248 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 248 E C 2.072 178.749 176.600 0.127 0.000 0.989 248 E CA 1.137 57.612 56.400 0.125 0.000 0.800 248 E CB -0.462 29.405 29.700 0.279 0.000 0.746 248 E HN 0.151 nan 8.360 nan 0.000 0.452 249 A N 1.521 124.446 122.820 0.175 0.000 1.858 249 A HA -0.231 4.089 4.320 -0.000 0.000 0.216 249 A C 2.099 179.732 177.584 0.081 0.000 1.190 249 A CA 1.652 53.793 52.037 0.173 0.000 0.617 249 A CB -0.557 18.533 19.000 0.150 0.000 0.827 249 A HN 0.091 nan 8.150 nan 0.000 0.443 250 R N -0.976 119.562 120.500 0.062 0.000 2.113 250 R HA -0.272 4.068 4.340 -0.000 0.000 0.244 250 R C 2.460 178.765 176.300 0.008 0.000 1.142 250 R CA 2.220 58.345 56.100 0.043 0.000 0.953 250 R CB -0.248 30.074 30.300 0.037 0.000 0.860 250 R HN 0.614 nan 8.270 nan 0.000 0.438 251 Q N -0.217 119.568 119.800 -0.026 0.000 2.046 251 Q HA -0.037 4.303 4.340 -0.000 0.000 0.200 251 Q C 1.822 177.735 176.000 -0.145 0.000 0.975 251 Q CA 2.055 57.811 55.803 -0.080 0.000 0.836 251 Q CB -0.257 28.421 28.738 -0.100 0.000 0.896 251 Q HN 0.416 nan 8.270 nan 0.000 0.428 252 A N 0.161 122.851 122.820 -0.217 0.000 1.933 252 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 252 A C 2.106 179.607 177.584 -0.138 0.000 1.175 252 A CA 1.423 53.259 52.037 -0.334 0.000 0.628 252 A CB -0.711 17.940 19.000 -0.582 0.000 0.814 252 A HN 0.486 nan 8.150 nan 0.000 0.444 253 I N -0.535 120.019 120.570 -0.026 0.000 2.315 253 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 253 I C 2.525 178.672 176.117 0.051 0.000 1.117 253 I CA 1.765 63.101 61.300 0.059 0.000 1.404 253 I CB -0.230 37.839 38.000 0.114 0.000 1.071 253 I HN 0.406 nan 8.210 nan 0.000 0.419 254 K N 0.649 121.056 120.400 0.012 0.000 2.025 254 K HA -0.202 4.118 4.320 -0.000 0.000 0.207 254 K C 2.361 178.939 176.600 -0.037 0.000 1.049 254 K CA 1.825 58.115 56.287 0.006 0.000 0.933 254 K CB -0.116 32.379 32.500 -0.009 0.000 0.714 254 K HN 0.096 nan 8.250 nan 0.000 0.438 255 S N 0.735 116.383 115.700 -0.087 0.000 2.356 255 S HA -0.093 4.377 4.470 -0.000 0.000 0.223 255 S C 1.976 176.482 174.600 -0.156 0.000 1.032 255 S CA 1.176 59.304 58.200 -0.120 0.000 1.005 255 S CB -0.264 62.837 63.200 -0.165 0.000 0.867 255 S HN 0.361 nan 8.310 nan 0.000 0.449 256 L N 0.612 121.713 121.223 -0.204 0.000 2.083 256 L HA -0.098 4.242 4.340 -0.000 0.000 0.209 256 L C 2.772 179.324 176.870 -0.529 0.000 1.083 256 L CA 1.527 56.124 54.840 -0.405 0.000 0.752 256 L CB -0.980 40.814 42.059 -0.442 0.000 0.899 256 L HN 0.338 nan 8.230 nan 0.000 0.433 257 T N -0.977 113.460 114.554 -0.195 0.000 2.674 257 T HA -0.150 4.200 4.350 -0.000 0.000 0.265 257 T C 1.793 176.493 174.700 -0.001 0.000 1.039 257 T CA 1.197 63.322 62.100 0.041 0.000 1.150 257 T CB -0.084 68.891 68.868 0.178 0.000 0.864 257 T HN 0.265 nan 8.240 nan 0.000 0.427 258 E N 0.965 121.148 120.200 -0.027 0.000 2.152 258 E HA 0.006 4.356 4.350 -0.000 0.000 0.192 258 E C 2.323 178.903 176.600 -0.034 0.000 0.983 258 E CA 0.872 57.261 56.400 -0.017 0.000 0.818 258 E CB -0.100 29.590 29.700 -0.018 0.000 0.758 258 E HN 0.460 nan 8.360 nan 0.000 0.467 259 R N -0.593 119.859 120.500 -0.080 0.000 2.206 259 R HA 0.123 4.463 4.340 -0.000 0.000 0.198 259 R C 1.894 178.137 176.300 -0.095 0.000 0.986 259 R CA 0.256 56.311 56.100 -0.074 0.000 1.029 259 R CB 0.244 30.494 30.300 -0.083 0.000 0.966 259 R HN 0.036 nan 8.270 nan 0.000 0.487 260 L N -1.799 119.322 121.223 -0.170 0.000 2.614 260 L HA 0.182 4.522 4.340 -0.000 0.000 0.185 260 L C 1.414 178.273 176.870 -0.018 0.000 1.098 260 L CA 0.870 55.617 54.840 -0.156 0.000 0.852 260 L CB -0.352 41.536 42.059 -0.285 0.000 1.213 260 L HN -0.116 nan 8.230 nan 0.000 0.491 261 Y N 1.534 121.849 120.300 0.025 0.000 2.181 261 Y HA -0.124 4.426 4.550 -0.000 0.000 0.288 261 Y C 2.529 178.433 175.900 0.006 0.000 1.146 261 Y CA 1.557 59.677 58.100 0.034 0.000 1.164 261 Y CB -1.250 37.252 38.460 0.070 0.000 0.982 261 Y HN 0.382 nan 8.280 nan 0.000 0.515 262 I N -2.463 118.192 120.570 0.141 0.000 3.001 262 I HA 0.369 4.539 4.170 -0.000 0.000 0.268 262 I C 1.010 177.133 176.117 0.011 0.000 1.267 262 I CA 0.926 62.266 61.300 0.067 0.000 1.472 262 I CB -0.458 37.573 38.000 0.053 0.000 1.089 262 I HN 0.136 nan 8.210 nan 0.000 0.468 263 G N -0.310 108.477 108.800 -0.022 0.000 2.359 263 G HA2 0.452 4.412 3.960 -0.000 0.000 0.293 263 G HA3 0.452 4.412 3.960 -0.000 0.000 0.293 263 G C -0.746 174.000 174.900 -0.256 0.000 1.300 263 G CA -0.297 44.717 45.100 -0.142 0.000 0.888 263 G HN 0.817 nan 8.290 nan 0.000 0.541 264 G N -1.017 107.362 108.800 -0.702 0.000 2.336 264 G HA2 0.692 4.652 3.960 -0.000 0.000 0.300 264 G HA3 0.692 4.652 3.960 -0.000 0.000 0.300 264 G C -3.465 170.835 174.900 -1.001 0.000 1.375 264 G CA 0.219 44.895 45.100 -0.707 0.000 0.885 264 G HN 0.901 nan 8.290 nan 0.000 0.599 265 P HA 0.436 nan 4.420 nan 0.000 0.275 265 P C -0.490 176.724 177.300 -0.144 0.000 1.227 265 P CA -0.149 62.840 63.100 -0.185 0.000 0.781 265 P CB 1.254 32.968 31.700 0.022 0.000 0.906 266 L N 2.800 123.981 121.223 -0.069 0.000 2.287 266 L HA 0.411 4.751 4.340 -0.000 0.000 0.287 266 L C 0.463 177.345 176.870 0.019 0.000 1.022 266 L CA -0.169 54.661 54.840 -0.017 0.000 0.814 266 L CB 1.438 43.528 42.059 0.051 0.000 1.217 266 L HN 0.301 nan 8.230 nan 0.000 0.420 267 T N 1.610 116.153 114.554 -0.019 0.000 2.807 267 T HA 0.318 4.668 4.350 -0.000 0.000 0.279 267 T C -0.148 174.537 174.700 -0.025 0.000 0.993 267 T CA -0.861 61.230 62.100 -0.016 0.000 0.970 267 T CB 1.463 70.305 68.868 -0.043 0.000 0.950 267 T HN 0.622 nan 8.240 nan 0.000 0.441 268 N N 0.864 119.566 118.700 0.003 0.000 2.327 268 N HA 0.108 4.848 4.740 -0.000 0.000 0.257 268 N C 1.445 176.948 175.510 -0.011 0.000 1.281 268 N CA -0.280 52.771 53.050 0.003 0.000 0.942 268 N CB 0.120 38.617 38.487 0.017 0.000 1.199 268 N HN 0.455 nan 8.380 nan 0.000 0.532 269 S N -1.097 114.605 115.700 0.003 0.000 2.442 269 S HA -0.108 4.362 4.470 -0.000 0.000 0.236 269 S C 1.090 175.688 174.600 -0.003 0.000 1.007 269 S CA 0.715 58.918 58.200 0.006 0.000 0.965 269 S CB -0.431 62.786 63.200 0.029 0.000 0.773 269 S HN 0.630 nan 8.310 nan 0.000 0.504 270 K N 0.679 121.079 120.400 -0.001 0.000 2.487 270 K HA 0.237 4.557 4.320 -0.000 0.000 0.192 270 K C 1.276 177.871 176.600 -0.009 0.000 1.027 270 K CA 0.394 56.680 56.287 -0.003 0.000 1.054 270 K CB -0.174 32.327 32.500 0.003 0.000 0.824 270 K HN 0.569 nan 8.250 nan 0.000 0.510 271 G N 1.656 110.447 108.800 -0.015 0.000 2.157 271 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.248 271 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.248 271 G C -0.228 174.669 174.900 -0.005 0.000 0.979 271 G CA -0.115 44.973 45.100 -0.020 0.000 0.650 271 G HN 0.345 nan 8.290 nan 0.000 0.529 272 Q N 0.084 119.887 119.800 0.005 0.000 2.260 272 Q HA 0.343 4.683 4.340 -0.000 0.000 0.242 272 Q C 0.319 176.337 176.000 0.031 0.000 0.932 272 Q CA -0.581 55.233 55.803 0.019 0.000 0.891 272 Q CB 0.925 29.677 28.738 0.022 0.000 1.222 272 Q HN 0.361 nan 8.270 nan 0.000 0.453 273 N N 1.239 119.964 118.700 0.043 0.000 2.401 273 N HA 0.029 4.768 4.740 -0.000 0.000 0.255 273 N C -0.210 175.356 175.510 0.094 0.000 1.110 273 N CA -0.374 52.713 53.050 0.061 0.000 0.949 273 N CB 0.574 39.098 38.487 0.061 0.000 1.110 273 N HN 0.593 nan 8.380 nan 0.000 0.490 274 C N 2.968 122.342 119.300 0.124 0.000 2.533 274 C HA 0.347 4.807 4.460 -0.000 0.000 0.272 274 C C 1.336 176.504 174.990 0.296 0.000 1.371 274 C CA 0.636 59.785 59.018 0.218 0.000 1.758 274 C CB -1.129 26.768 27.740 0.262 0.000 1.972 274 C HN 0.960 nan 8.230 nan 0.000 0.522 275 G N -1.674 107.229 108.800 0.172 0.000 2.334 275 G HA2 0.258 4.218 3.960 -0.000 0.000 0.249 275 G HA3 0.258 4.218 3.960 -0.000 0.000 0.249 275 G C -2.057 172.883 174.900 0.067 0.000 1.327 275 G CA -0.452 44.708 45.100 0.100 0.000 0.979 275 G HN 0.017 nan 8.290 nan 0.000 0.471 276 Y N 0.732 120.929 120.300 -0.172 0.000 2.477 276 Y HA 0.787 5.337 4.550 -0.000 0.000 0.347 276 Y C 0.108 175.884 175.900 -0.206 0.000 0.981 276 Y CA -0.870 57.142 58.100 -0.147 0.000 1.033 276 Y CB 2.071 40.456 38.460 -0.125 0.000 1.245 276 Y HN 0.680 nan 8.280 nan 0.000 0.455 277 R N 4.457 124.684 120.500 -0.454 0.000 2.445 277 R HA 0.537 4.877 4.340 -0.000 0.000 0.308 277 R C -0.778 175.312 176.300 -0.349 0.000 0.961 277 R CA -0.602 55.248 56.100 -0.416 0.000 0.862 277 R CB 0.956 31.082 30.300 -0.289 0.000 1.144 277 R HN 0.917 nan 8.270 nan 0.000 0.447 278 R N 2.996 123.279 120.500 -0.362 0.000 2.659 278 R HA 0.214 4.554 4.340 -0.000 0.000 0.418 278 R C -0.419 175.732 176.300 -0.249 0.000 1.076 278 R CA -0.306 55.676 56.100 -0.196 0.000 1.093 278 R CB 0.439 30.670 30.300 -0.114 0.000 1.400 278 R HN 0.754 nan 8.270 nan 0.000 0.583 279 C N -1.718 117.382 119.300 -0.334 0.000 3.308 279 C HA 0.601 5.061 4.460 -0.000 0.000 0.360 279 C C -0.055 174.855 174.990 -0.133 0.000 1.695 279 C CA -1.541 57.325 59.018 -0.254 0.000 1.366 279 C CB 1.194 28.713 27.740 -0.368 0.000 2.121 279 C HN 0.405 nan 8.230 nan 0.000 0.442 280 R N 1.088 121.556 120.500 -0.053 0.000 2.522 280 R HA 0.486 4.826 4.340 -0.000 0.000 0.284 280 R C 0.014 176.363 176.300 0.082 0.000 1.032 280 R CA 0.769 56.892 56.100 0.039 0.000 1.049 280 R CB 0.138 30.494 30.300 0.093 0.000 0.956 280 R HN 1.102 nan 8.270 nan 0.000 0.422 281 A N 3.428 126.313 122.820 0.108 0.000 2.328 281 A HA 0.208 4.528 4.320 -0.000 0.000 0.284 281 A C 0.990 178.672 177.584 0.163 0.000 1.160 281 A CA -0.116 52.009 52.037 0.148 0.000 0.818 281 A CB 0.777 19.873 19.000 0.160 0.000 1.087 281 A HN 1.016 nan 8.150 nan 0.000 0.504 282 S N 1.960 117.771 115.700 0.186 0.000 2.481 282 S HA 0.050 4.520 4.470 -0.000 0.000 0.231 282 S C 1.060 175.756 174.600 0.161 0.000 0.996 282 S CA 0.848 59.152 58.200 0.173 0.000 0.942 282 S CB 0.028 63.336 63.200 0.180 0.000 0.768 282 S HN 1.294 nan 8.310 nan 0.000 0.520 283 G N 1.620 110.538 108.800 0.196 0.000 4.547 283 G HA2 0.522 4.482 3.960 -0.000 0.000 0.301 283 G HA3 0.522 4.482 3.960 -0.000 0.000 0.301 283 G C -0.172 174.857 174.900 0.215 0.000 1.240 283 G CA -0.045 45.177 45.100 0.204 0.000 0.970 283 G HN 0.578 nan 8.290 nan 0.000 0.574 284 V N -2.637 117.385 119.914 0.179 0.000 3.113 284 V HA 0.600 4.720 4.120 -0.000 0.000 0.316 284 V C 1.330 177.504 176.094 0.133 0.000 1.125 284 V CA -0.954 61.468 62.300 0.204 0.000 1.026 284 V CB 1.701 33.705 31.823 0.301 0.000 1.080 284 V HN 0.054 nan 8.190 nan 0.000 0.444 285 L N 2.137 123.454 121.223 0.157 0.000 2.131 285 L HA -0.035 4.305 4.340 -0.000 0.000 0.210 285 L C 2.298 179.185 176.870 0.028 0.000 1.092 285 L CA 3.048 57.962 54.840 0.123 0.000 0.759 285 L CB -0.706 41.457 42.059 0.172 0.000 0.903 285 L HN 1.081 nan 8.230 nan 0.000 0.435 286 T N -5.786 108.708 114.554 -0.100 0.000 3.148 286 T HA -0.009 4.341 4.350 -0.000 0.000 0.253 286 T C 1.598 176.235 174.700 -0.104 0.000 1.134 286 T CA 0.763 62.754 62.100 -0.183 0.000 1.051 286 T CB -0.733 67.859 68.868 -0.461 0.000 0.959 286 T HN 0.279 nan 8.240 nan 0.000 0.525 287 T N 2.159 116.683 114.554 -0.051 0.000 2.635 287 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 287 T C 2.224 176.947 174.700 0.039 0.000 1.040 287 T CA 1.850 63.961 62.100 0.018 0.000 1.156 287 T CB -0.685 68.220 68.868 0.062 0.000 0.863 287 T HN 0.558 nan 8.240 nan 0.000 0.430 288 S N -0.233 115.466 115.700 -0.002 0.000 2.345 288 S HA -0.153 4.317 4.470 -0.000 0.000 0.220 288 S C 2.453 177.072 174.600 0.031 0.000 1.031 288 S CA 1.459 59.647 58.200 -0.019 0.000 0.996 288 S CB -0.983 62.098 63.200 -0.199 0.000 0.882 288 S HN 0.665 nan 8.310 nan 0.000 0.445 289 C N 1.294 120.586 119.300 -0.014 0.000 2.432 289 C HA 0.097 4.557 4.460 -0.000 0.000 0.277 289 C C 2.868 177.917 174.990 0.097 0.000 1.249 289 C CA 1.145 60.183 59.018 0.033 0.000 1.725 289 C CB -1.832 25.901 27.740 -0.012 0.000 2.028 289 C HN 0.724 nan 8.230 nan 0.000 0.477 290 G N 0.510 109.373 108.800 0.106 0.000 2.446 290 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 290 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 290 G C 1.522 176.514 174.900 0.155 0.000 1.168 290 G CA 1.174 46.338 45.100 0.106 0.000 0.771 290 G HN 0.595 nan 8.290 nan 0.000 0.551 291 N N 0.356 119.166 118.700 0.183 0.000 2.120 291 N HA -0.083 4.657 4.740 -0.000 0.000 0.188 291 N C 2.432 178.034 175.510 0.153 0.000 1.024 291 N CA 1.675 54.878 53.050 0.255 0.000 0.852 291 N CB -0.756 37.810 38.487 0.132 0.000 1.003 291 N HN 0.263 nan 8.380 nan 0.000 0.424 292 T N 1.697 116.334 114.554 0.137 0.000 2.708 292 T HA -0.011 4.339 4.350 -0.000 0.000 0.266 292 T C 2.140 176.943 174.700 0.172 0.000 1.037 292 T CA 0.677 62.872 62.100 0.158 0.000 1.146 292 T CB -0.292 68.744 68.868 0.279 0.000 0.865 292 T HN 0.130 nan 8.240 nan 0.000 0.435 293 L N 0.672 121.971 121.223 0.126 0.000 2.017 293 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 293 L C 2.961 179.935 176.870 0.173 0.000 1.073 293 L CA 1.292 56.186 54.840 0.089 0.000 0.745 293 L CB -1.066 40.993 42.059 0.001 0.000 0.894 293 L HN 0.291 nan 8.230 nan 0.000 0.432 294 T N -1.298 113.378 114.554 0.204 0.000 2.708 294 T HA -0.247 4.103 4.350 -0.000 0.000 0.266 294 T C 2.015 176.922 174.700 0.345 0.000 1.037 294 T CA 1.522 63.777 62.100 0.259 0.000 1.146 294 T CB -0.508 68.543 68.868 0.304 0.000 0.865 294 T HN 0.472 nan 8.240 nan 0.000 0.435 295 C N 0.624 120.175 119.300 0.419 0.000 2.429 295 C HA -0.084 4.376 4.460 -0.000 0.000 0.277 295 C C 2.396 177.551 174.990 0.276 0.000 1.262 295 C CA 0.527 59.773 59.018 0.381 0.000 1.733 295 C CB -1.426 26.413 27.740 0.166 0.000 2.010 295 C HN 0.645 nan 8.230 nan 0.000 0.483 296 Y N 1.041 121.413 120.300 0.121 0.000 2.145 296 Y HA -0.131 4.419 4.550 -0.000 0.000 0.286 296 Y C 2.203 178.134 175.900 0.050 0.000 1.145 296 Y CA 2.142 60.291 58.100 0.081 0.000 1.148 296 Y CB -0.640 37.854 38.460 0.056 0.000 0.981 296 Y HN 0.326 nan 8.280 nan 0.000 0.507 297 L N 1.202 122.534 121.223 0.182 0.000 1.989 297 L HA -0.231 4.109 4.340 -0.000 0.000 0.211 297 L C 2.116 178.924 176.870 -0.103 0.000 1.071 297 L CA 2.100 56.924 54.840 -0.027 0.000 0.749 297 L CB -0.923 41.093 42.059 -0.072 0.000 0.890 297 L HN 0.198 nan 8.230 nan 0.000 0.431 298 K N -0.576 119.843 120.400 0.033 0.000 2.057 298 K HA -0.071 4.249 4.320 -0.000 0.000 0.206 298 K C 2.083 178.725 176.600 0.070 0.000 1.050 298 K CA 1.328 57.671 56.287 0.093 0.000 0.935 298 K CB -0.437 32.202 32.500 0.232 0.000 0.715 298 K HN 0.490 nan 8.250 nan 0.000 0.439 299 A N 1.151 123.997 122.820 0.044 0.000 1.898 299 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 299 A C 2.238 179.843 177.584 0.036 0.000 1.181 299 A CA 1.769 53.845 52.037 0.065 0.000 0.620 299 A CB -0.525 18.586 19.000 0.185 0.000 0.819 299 A HN 0.164 nan 8.150 nan 0.000 0.442 300 S N -0.090 115.524 115.700 -0.144 0.000 2.356 300 S HA -0.059 4.411 4.470 -0.000 0.000 0.223 300 S C 2.330 176.886 174.600 -0.074 0.000 1.032 300 S CA 1.237 59.321 58.200 -0.195 0.000 1.005 300 S CB -0.490 62.444 63.200 -0.443 0.000 0.867 300 S HN 0.798 nan 8.310 nan 0.000 0.449 301 A N 1.523 124.312 122.820 -0.051 0.000 1.902 301 A HA 0.089 4.409 4.320 -0.000 0.000 0.217 301 A C 2.334 179.971 177.584 0.089 0.000 1.181 301 A CA 1.739 53.807 52.037 0.053 0.000 0.623 301 A CB -1.051 17.968 19.000 0.031 0.000 0.818 301 A HN 0.525 nan 8.150 nan 0.000 0.443 302 A N -1.379 121.480 122.820 0.065 0.000 2.015 302 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 302 A C 2.229 179.799 177.584 -0.025 0.000 1.163 302 A CA 1.488 53.404 52.037 -0.202 0.000 0.646 302 A CB -1.125 17.350 19.000 -0.876 0.000 0.806 302 A HN 0.584 nan 8.150 nan 0.000 0.448 303 C N -0.856 118.541 119.300 0.163 0.000 2.446 303 C HA -0.067 4.393 4.460 -0.000 0.000 0.277 303 C C 2.899 177.913 174.990 0.040 0.000 1.275 303 C CA 1.110 60.274 59.018 0.243 0.000 1.727 303 C CB -1.193 26.651 27.740 0.172 0.000 2.010 303 C HN 0.625 nan 8.230 nan 0.000 0.486 304 R N 0.974 121.419 120.500 -0.092 0.000 2.075 304 R HA -0.049 4.291 4.340 -0.000 0.000 0.232 304 R C 2.389 178.413 176.300 -0.460 0.000 1.126 304 R CA 1.467 57.420 56.100 -0.244 0.000 0.963 304 R CB -0.512 29.627 30.300 -0.269 0.000 0.858 304 R HN 0.513 nan 8.270 nan 0.000 0.435 305 A N 1.361 123.852 122.820 -0.548 0.000 1.933 305 A HA -0.093 4.226 4.320 -0.000 0.000 0.218 305 A C 2.229 179.740 177.584 -0.121 0.000 1.175 305 A CA 1.737 53.549 52.037 -0.374 0.000 0.628 305 A CB -0.449 18.455 19.000 -0.159 0.000 0.814 305 A HN 0.390 nan 8.150 nan 0.000 0.444 306 A N -1.493 121.297 122.820 -0.050 0.000 2.218 306 A HA 0.274 4.594 4.320 -0.000 0.000 0.209 306 A C 1.001 178.594 177.584 0.014 0.000 1.168 306 A CA 0.787 52.837 52.037 0.023 0.000 0.804 306 A CB -0.380 18.697 19.000 0.128 0.000 0.834 306 A HN 0.492 nan 8.150 nan 0.000 0.482 307 K N -0.944 119.449 120.400 -0.012 0.000 3.071 307 K HA -0.153 4.167 4.320 -0.000 0.000 0.265 307 K C -0.797 175.812 176.600 0.014 0.000 1.060 307 K CA 0.412 56.698 56.287 -0.002 0.000 0.767 307 K CB -2.030 30.474 32.500 0.006 0.000 1.241 307 K HN 0.538 nan 8.250 nan 0.000 0.486 308 L N 1.666 122.907 121.223 0.030 0.000 2.416 308 L HA 0.059 4.399 4.340 -0.000 0.000 0.272 308 L C 0.991 177.872 176.870 0.018 0.000 1.161 308 L CA 0.027 54.887 54.840 0.034 0.000 0.845 308 L CB 0.518 42.617 42.059 0.067 0.000 1.119 308 L HN 0.158 nan 8.230 nan 0.000 0.464 309 Q N 1.760 121.564 119.800 0.006 0.000 2.288 309 Q HA 0.087 4.427 4.340 -0.000 0.000 0.254 309 Q C -0.157 175.834 176.000 -0.015 0.000 0.932 309 Q CA -0.578 55.222 55.803 -0.005 0.000 0.902 309 Q CB 0.695 29.426 28.738 -0.011 0.000 1.203 309 Q HN 0.456 nan 8.270 nan 0.000 0.415 310 D N 1.000 121.391 120.400 -0.015 0.000 2.810 310 D HA -0.193 4.447 4.640 -0.000 0.000 0.224 310 D C -1.291 174.992 176.300 -0.029 0.000 1.222 310 D CA 0.190 54.176 54.000 -0.022 0.000 0.698 310 D CB -0.752 40.024 40.800 -0.039 0.000 0.961 310 D HN 0.497 nan 8.370 nan 0.000 0.403 311 C N 1.066 120.359 119.300 -0.012 0.000 2.539 311 C HA 0.651 5.111 4.460 -0.000 0.000 0.392 311 C C 0.784 175.770 174.990 -0.006 0.000 1.269 311 C CA -0.180 58.829 59.018 -0.015 0.000 2.250 311 C CB 1.148 28.890 27.740 0.003 0.000 2.584 311 C HN 0.546 nan 8.230 nan 0.000 0.589 312 T N 4.424 118.967 114.554 -0.019 0.000 3.011 312 T HA 0.511 4.861 4.350 -0.000 0.000 0.303 312 T C -0.567 174.155 174.700 0.035 0.000 0.997 312 T CA -0.332 61.787 62.100 0.032 0.000 1.007 312 T CB 1.036 69.895 68.868 -0.015 0.000 1.017 312 T HN 0.745 nan 8.240 nan 0.000 0.443 313 M N 2.392 122.059 119.600 0.111 0.000 2.598 313 M HA 0.889 5.368 4.480 -0.000 0.000 0.317 313 M C -1.696 174.728 176.300 0.206 0.000 1.179 313 M CA -1.317 54.037 55.300 0.091 0.000 0.936 313 M CB 1.938 34.560 32.600 0.036 0.000 1.713 313 M HN 0.391 nan 8.290 nan 0.000 0.460 314 L N 3.094 124.402 121.223 0.142 0.000 2.349 314 L HA 0.749 5.089 4.340 -0.000 0.000 0.278 314 L C -1.633 175.253 176.870 0.026 0.000 0.996 314 L CA -0.459 54.456 54.840 0.125 0.000 0.825 314 L CB 1.983 44.133 42.059 0.152 0.000 1.243 314 L HN 0.708 nan 8.230 nan 0.000 0.412 315 V N 4.442 124.356 119.914 -0.001 0.000 2.540 315 V HA 0.597 4.717 4.120 -0.000 0.000 0.302 315 V C -0.763 175.179 176.094 -0.254 0.000 1.035 315 V CA -0.650 61.623 62.300 -0.044 0.000 0.873 315 V CB 1.991 33.881 31.823 0.112 0.000 0.992 315 V HN 0.815 nan 8.190 nan 0.000 0.428 316 N N 3.269 121.774 118.700 -0.325 0.000 2.577 316 N HA 0.605 5.345 4.740 -0.000 0.000 0.275 316 N C 0.540 175.915 175.510 -0.225 0.000 1.091 316 N CA 0.418 53.080 53.050 -0.647 0.000 0.843 316 N CB 1.814 39.784 38.487 -0.862 0.000 1.295 316 N HN 1.057 nan 8.380 nan 0.000 0.530 317 G N 2.622 111.440 108.800 0.030 0.000 2.660 317 G HA2 -0.428 3.532 3.960 -0.000 0.000 0.321 317 G HA3 -0.428 3.532 3.960 -0.000 0.000 0.321 317 G C 0.584 175.332 174.900 -0.253 0.000 1.246 317 G CA 1.067 46.162 45.100 -0.008 0.000 1.000 317 G HN 0.671 nan 8.290 nan 0.000 0.550 318 D N 1.301 121.456 120.400 -0.407 0.000 2.340 318 D HA 0.135 4.775 4.640 -0.000 0.000 0.220 318 D C 0.213 176.385 176.300 -0.213 0.000 1.039 318 D CA 0.668 54.282 54.000 -0.644 0.000 0.866 318 D CB -0.206 40.089 40.800 -0.843 0.000 0.913 318 D HN 0.454 nan 8.370 nan 0.000 0.523 319 D N 0.840 121.161 120.400 -0.132 0.000 2.317 319 D HA 0.272 4.912 4.640 -0.000 0.000 0.252 319 D C -0.473 175.801 176.300 -0.044 0.000 1.174 319 D CA -0.263 53.699 54.000 -0.063 0.000 0.866 319 D CB 1.757 42.511 40.800 -0.076 0.000 1.127 319 D HN 0.139 nan 8.370 nan 0.000 0.467 320 L N 3.375 124.610 121.223 0.020 0.000 2.410 320 L HA 0.518 4.857 4.340 -0.000 0.000 0.270 320 L C -1.562 175.296 176.870 -0.019 0.000 0.983 320 L CA -0.780 54.081 54.840 0.035 0.000 0.822 320 L CB 2.185 44.330 42.059 0.144 0.000 1.285 320 L HN 0.124 nan 8.230 nan 0.000 0.409 321 V N 5.849 125.710 119.914 -0.087 0.000 2.638 321 V HA 0.789 4.909 4.120 -0.000 0.000 0.306 321 V C -1.459 174.461 176.094 -0.289 0.000 1.052 321 V CA -0.344 61.841 62.300 -0.193 0.000 0.885 321 V CB 2.354 34.105 31.823 -0.120 0.000 0.999 321 V HN 0.604 nan 8.190 nan 0.000 0.424 322 V N 7.726 127.280 119.914 -0.600 0.000 2.540 322 V HA 0.595 4.715 4.120 -0.000 0.000 0.302 322 V C -0.341 175.496 176.094 -0.429 0.000 1.035 322 V CA -0.468 61.470 62.300 -0.604 0.000 0.873 322 V CB 1.825 33.003 31.823 -1.074 0.000 0.992 322 V HN 0.744 nan 8.190 nan 0.000 0.428 323 I N 4.922 125.375 120.570 -0.195 0.000 2.436 323 I HA 0.705 4.875 4.170 -0.000 0.000 0.289 323 I C -0.072 175.984 176.117 -0.103 0.000 1.010 323 I CA -0.328 60.920 61.300 -0.086 0.000 1.098 323 I CB 1.737 39.728 38.000 -0.015 0.000 1.266 323 I HN 0.909 nan 8.210 nan 0.000 0.434 324 C N 2.694 121.933 119.300 -0.101 0.000 3.311 324 C HA 0.565 5.025 4.460 -0.000 0.000 0.366 324 C C -0.725 174.191 174.990 -0.124 0.000 1.694 324 C CA -0.871 58.095 59.018 -0.087 0.000 1.244 324 C CB 1.842 29.571 27.740 -0.019 0.000 2.038 324 C HN 0.610 nan 8.230 nan 0.000 0.436 325 E N 1.769 121.918 120.200 -0.086 0.000 2.229 325 E HA 0.364 4.713 4.350 -0.000 0.000 0.283 325 E C 0.019 176.595 176.600 -0.040 0.000 1.030 325 E CA 0.438 56.786 56.400 -0.086 0.000 0.836 325 E CB 1.785 31.446 29.700 -0.064 0.000 1.068 325 E HN 0.703 nan 8.360 nan 0.000 0.401 326 S N 1.583 117.268 115.700 -0.024 0.000 2.585 326 S HA 0.338 4.808 4.470 -0.000 0.000 0.273 326 S C 0.259 174.876 174.600 0.027 0.000 1.339 326 S CA 0.086 58.318 58.200 0.053 0.000 1.028 326 S CB 0.588 63.876 63.200 0.147 0.000 0.906 326 S HN 0.516 nan 8.310 nan 0.000 0.528 327 A N 2.738 125.581 122.820 0.040 0.000 2.643 327 A HA 0.660 4.980 4.320 -0.000 0.000 0.295 327 A C 0.719 178.310 177.584 0.011 0.000 1.065 327 A CA 0.155 52.201 52.037 0.015 0.000 0.986 327 A CB -0.764 18.242 19.000 0.010 0.000 1.212 327 A HN 1.929 nan 8.150 nan 0.000 0.516 328 G N -0.792 108.014 108.800 0.010 0.000 2.692 328 G HA2 0.007 3.966 3.960 -0.000 0.000 0.686 328 G HA3 0.007 3.966 3.960 -0.000 0.000 0.686 328 G C 0.642 175.551 174.900 0.016 0.000 1.243 328 G CA 0.198 45.290 45.100 -0.013 0.000 0.782 328 G HN 1.258 nan 8.290 nan 0.000 0.625 329 T N -1.694 112.841 114.554 -0.031 0.000 2.737 329 T HA -0.145 4.205 4.350 -0.000 0.000 0.265 329 T C 2.104 176.831 174.700 0.044 0.000 1.038 329 T CA 2.137 64.250 62.100 0.021 0.000 1.144 329 T CB -0.248 68.586 68.868 -0.056 0.000 0.866 329 T HN 0.802 nan 8.240 nan 0.000 0.434 330 Q N 0.812 120.619 119.800 0.011 0.000 2.119 330 Q HA -0.145 4.194 4.340 -0.000 0.000 0.201 330 Q C 2.207 178.214 176.000 0.011 0.000 0.972 330 Q CA 1.537 57.346 55.803 0.010 0.000 0.847 330 Q CB -0.073 28.665 28.738 -0.001 0.000 0.903 330 Q HN 0.638 nan 8.270 nan 0.000 0.433 331 E N 0.564 120.771 120.200 0.011 0.000 2.106 331 E HA -0.150 4.200 4.350 -0.000 0.000 0.192 331 E C 1.571 178.176 176.600 0.009 0.000 0.984 331 E CA 1.330 57.735 56.400 0.008 0.000 0.806 331 E CB 0.033 29.737 29.700 0.007 0.000 0.750 331 E HN 0.372 nan 8.360 nan 0.000 0.458 332 D N 0.225 120.643 120.400 0.031 0.000 2.117 332 D HA -0.104 4.536 4.640 -0.000 0.000 0.198 332 D C 1.857 178.141 176.300 -0.028 0.000 0.982 332 D CA 1.397 55.410 54.000 0.020 0.000 0.828 332 D CB -0.335 40.530 40.800 0.108 0.000 0.967 332 D HN 0.198 nan 8.370 nan 0.000 0.464 333 A N 0.965 123.785 122.820 0.001 0.000 1.933 333 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 333 A C 2.287 179.851 177.584 -0.034 0.000 1.175 333 A CA 2.194 54.219 52.037 -0.021 0.000 0.628 333 A CB -0.618 18.386 19.000 0.006 0.000 0.814 333 A HN 0.241 nan 8.150 nan 0.000 0.444 334 A N -0.736 122.072 122.820 -0.020 0.000 1.929 334 A HA 0.005 4.325 4.320 -0.000 0.000 0.216 334 A C 2.411 179.980 177.584 -0.024 0.000 1.176 334 A CA 1.827 53.853 52.037 -0.017 0.000 0.628 334 A CB -0.742 18.253 19.000 -0.008 0.000 0.816 334 A HN 0.440 nan 8.150 nan 0.000 0.444 335 S N -0.173 115.507 115.700 -0.033 0.000 2.382 335 S HA -0.115 4.355 4.470 -0.000 0.000 0.228 335 S C 1.730 176.297 174.600 -0.056 0.000 1.027 335 S CA 1.424 59.604 58.200 -0.033 0.000 0.991 335 S CB -0.346 62.833 63.200 -0.036 0.000 0.823 335 S HN 0.363 nan 8.310 nan 0.000 0.469 336 L N 1.563 122.699 121.223 -0.144 0.000 2.093 336 L HA 0.019 4.359 4.340 -0.000 0.000 0.208 336 L C 2.382 179.230 176.870 -0.036 0.000 1.085 336 L CA 1.522 56.225 54.840 -0.229 0.000 0.755 336 L CB -0.552 41.271 42.059 -0.393 0.000 0.904 336 L HN 0.183 nan 8.230 nan 0.000 0.435 337 R N -1.531 118.957 120.500 -0.021 0.000 2.092 337 R HA -0.082 4.258 4.340 -0.000 0.000 0.231 337 R C 2.161 178.472 176.300 0.019 0.000 1.119 337 R CA 1.094 57.201 56.100 0.012 0.000 0.970 337 R CB -0.458 29.841 30.300 -0.002 0.000 0.864 337 R HN 0.198 nan 8.270 nan 0.000 0.440 338 V N 0.667 120.589 119.914 0.013 0.000 2.358 338 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 338 V C 1.884 177.977 176.094 -0.003 0.000 1.047 338 V CA 1.614 63.914 62.300 -0.001 0.000 1.035 338 V CB -0.511 31.314 31.823 0.003 0.000 0.658 338 V HN 0.214 nan 8.190 nan 0.000 0.452 339 F N 1.397 121.282 119.950 -0.109 0.000 2.134 339 F HA -0.219 4.308 4.527 -0.000 0.000 0.299 339 F C 2.420 178.130 175.800 -0.150 0.000 1.097 339 F CA 2.254 60.179 58.000 -0.124 0.000 1.264 339 F CB -0.432 38.493 39.000 -0.125 0.000 1.001 339 F HN 0.107 nan 8.300 nan 0.000 0.479 340 T N 0.025 114.648 114.554 0.116 0.000 2.788 340 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 340 T C 1.681 176.348 174.700 -0.054 0.000 1.044 340 T CA 1.720 63.883 62.100 0.105 0.000 1.139 340 T CB -0.312 68.693 68.868 0.228 0.000 0.867 340 T HN 0.391 nan 8.240 nan 0.000 0.454 341 E N 1.031 121.180 120.200 -0.085 0.000 2.077 341 E HA -0.061 4.289 4.350 -0.000 0.000 0.193 341 E C 2.549 178.995 176.600 -0.257 0.000 0.989 341 E CA 1.011 57.336 56.400 -0.125 0.000 0.800 341 E CB -0.211 29.433 29.700 -0.093 0.000 0.746 341 E HN 0.477 nan 8.360 nan 0.000 0.452 342 A N 1.272 123.868 122.820 -0.373 0.000 1.858 342 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 342 A C 2.165 179.198 177.584 -0.918 0.000 1.190 342 A CA 1.293 52.924 52.037 -0.677 0.000 0.617 342 A CB -0.359 18.282 19.000 -0.598 0.000 0.827 342 A HN 0.117 nan 8.150 nan 0.000 0.443 343 M N -0.074 119.141 119.600 -0.642 0.000 2.144 343 M HA -0.133 4.347 4.480 -0.000 0.000 0.260 343 M C 2.150 178.345 176.300 -0.175 0.000 1.067 343 M CA 2.083 57.155 55.300 -0.381 0.000 1.095 343 M CB -1.938 30.391 32.600 -0.452 0.000 1.365 343 M HN 0.475 nan 8.290 nan 0.000 0.406 344 T N -0.102 114.354 114.554 -0.163 0.000 2.777 344 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 344 T C 1.984 176.619 174.700 -0.109 0.000 1.040 344 T CA 1.027 63.082 62.100 -0.074 0.000 1.141 344 T CB -0.154 68.683 68.868 -0.052 0.000 0.868 344 T HN 0.383 nan 8.240 nan 0.000 0.444 345 R N 0.165 120.528 120.500 -0.228 0.000 2.096 345 R HA -0.042 4.298 4.340 -0.000 0.000 0.235 345 R C 1.925 178.187 176.300 -0.064 0.000 1.127 345 R CA 1.288 57.278 56.100 -0.184 0.000 0.968 345 R CB -0.395 29.736 30.300 -0.281 0.000 0.861 345 R HN 0.571 nan 8.270 nan 0.000 0.440 346 Y N 0.061 120.309 120.300 -0.087 0.000 2.553 346 Y HA -0.014 4.536 4.550 -0.000 0.000 0.303 346 Y C 0.790 176.645 175.900 -0.076 0.000 1.194 346 Y CA -0.255 57.779 58.100 -0.109 0.000 1.305 346 Y CB 0.282 38.702 38.460 -0.067 0.000 1.045 346 Y HN 0.006 nan 8.280 nan 0.000 0.514 347 S N 0.543 116.288 115.700 0.075 0.000 3.963 347 S HA -0.098 4.372 4.470 -0.000 0.000 0.438 347 S C -0.268 174.368 174.600 0.060 0.000 0.879 347 S CA 0.272 58.505 58.200 0.055 0.000 1.262 347 S CB -1.346 61.873 63.200 0.032 0.000 0.850 347 S HN 0.695 nan 8.310 nan 0.000 0.570 348 A N 2.191 125.064 122.820 0.087 0.000 3.346 348 A HA 0.521 4.841 4.320 -0.000 0.000 0.222 348 A C -2.474 175.248 177.584 0.230 0.000 1.138 348 A CA -0.348 51.781 52.037 0.152 0.000 1.074 348 A CB 0.778 19.904 19.000 0.210 0.000 1.347 348 A HN 0.444 nan 8.150 nan 0.000 0.751 349 P HA 0.317 nan 4.420 nan 0.000 0.272 349 P C -2.860 174.504 177.300 0.106 0.000 1.230 349 P CA -1.051 62.122 63.100 0.122 0.000 0.788 349 P CB 0.307 32.007 31.700 0.000 0.000 0.949 350 P HA 0.054 nan 4.420 nan 0.000 0.275 350 P C 0.969 178.200 177.300 -0.114 0.000 1.227 350 P CA 0.172 63.158 63.100 -0.190 0.000 0.781 350 P CB 0.653 32.239 31.700 -0.191 0.000 0.906 351 G N 2.903 111.629 108.800 -0.123 0.000 2.505 351 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.214 351 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.214 351 G C 0.019 174.874 174.900 -0.074 0.000 1.237 351 G CA 0.593 45.648 45.100 -0.074 0.000 0.802 351 G HN 0.487 nan 8.290 nan 0.000 0.549 352 D N 1.066 121.411 120.400 -0.090 0.000 2.278 352 D HA 0.369 5.009 4.640 -0.000 0.000 0.245 352 D C -2.318 173.937 176.300 -0.075 0.000 1.052 352 D CA -1.247 52.715 54.000 -0.063 0.000 0.834 352 D CB 1.955 42.728 40.800 -0.045 0.000 1.194 352 D HN 0.069 nan 8.370 nan 0.000 0.481 353 P HA 0.132 nan 4.420 nan 0.000 0.268 353 P C -2.469 174.838 177.300 0.011 0.000 1.205 353 P CA -0.962 62.136 63.100 -0.004 0.000 0.771 353 P CB -0.163 31.542 31.700 0.009 0.000 0.858 354 P HA 0.110 nan 4.420 nan 0.000 0.271 354 P C -0.588 176.705 177.300 -0.011 0.000 1.218 354 P CA 0.218 63.368 63.100 0.083 0.000 0.780 354 P CB 0.655 32.465 31.700 0.182 0.000 0.901 355 Q N 2.188 121.996 119.800 0.013 0.000 2.337 355 Q HA 0.427 4.767 4.340 -0.000 0.000 0.270 355 Q C -2.475 173.514 176.000 -0.020 0.000 1.043 355 Q CA -2.196 53.599 55.803 -0.015 0.000 0.794 355 Q CB 1.639 30.384 28.738 0.011 0.000 1.281 355 Q HN 0.335 nan 8.270 nan 0.000 0.446 356 P HA 0.092 nan 4.420 nan 0.000 0.267 356 P C -0.515 176.641 177.300 -0.241 0.000 1.205 356 P CA 0.149 63.149 63.100 -0.167 0.000 0.765 356 P CB 0.800 32.411 31.700 -0.148 0.000 0.828 357 E N 2.208 122.223 120.200 -0.308 0.000 2.222 357 E HA 0.204 4.554 4.350 -0.000 0.000 0.267 357 E C -0.454 175.945 176.600 -0.335 0.000 0.884 357 E CA -0.411 55.860 56.400 -0.215 0.000 0.764 357 E CB 1.418 31.088 29.700 -0.051 0.000 1.169 357 E HN 0.453 nan 8.360 nan 0.000 0.413 358 Y N -0.064 120.365 120.300 0.215 0.000 2.507 358 Y HA 0.154 4.704 4.550 -0.000 0.000 0.254 358 Y C 0.375 176.504 175.900 0.381 0.000 1.171 358 Y CA -0.361 57.922 58.100 0.306 0.000 1.238 358 Y CB 0.955 39.510 38.460 0.159 0.000 1.148 358 Y HN 0.247 nan 8.280 nan 0.000 0.525 359 D N 0.265 120.811 120.400 0.243 0.000 2.549 359 D HA 0.113 4.753 4.640 -0.000 0.000 0.251 359 D C 0.649 176.739 176.300 -0.350 0.000 1.153 359 D CA -0.383 53.636 54.000 0.031 0.000 0.861 359 D CB 1.620 42.444 40.800 0.039 0.000 1.207 359 D HN 0.075 nan 8.370 nan 0.000 0.543 360 L N 4.367 125.057 121.223 -0.887 0.000 2.013 360 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 360 L C 1.906 178.459 176.870 -0.529 0.000 1.073 360 L CA 2.147 56.310 54.840 -1.128 0.000 0.753 360 L CB -0.526 40.638 42.059 -1.491 0.000 0.890 360 L HN 0.700 nan 8.230 nan 0.000 0.432 361 E N -0.714 119.280 120.200 -0.343 0.000 2.209 361 E HA -0.224 4.125 4.350 -0.000 0.000 0.196 361 E C 1.916 178.421 176.600 -0.158 0.000 0.993 361 E CA 1.162 57.438 56.400 -0.206 0.000 0.819 361 E CB -0.191 29.434 29.700 -0.125 0.000 0.745 361 E HN 0.638 nan 8.360 nan 0.000 0.477 362 L N 1.026 122.159 121.223 -0.149 0.000 2.599 362 L HA 0.173 4.513 4.340 -0.000 0.000 0.230 362 L C 0.547 177.360 176.870 -0.094 0.000 1.141 362 L CA -0.093 54.692 54.840 -0.093 0.000 0.877 362 L CB 0.088 42.117 42.059 -0.051 0.000 1.009 362 L HN 0.103 nan 8.230 nan 0.000 0.447 363 I N 0.284 120.769 120.570 -0.141 0.000 2.297 363 I HA 0.105 4.275 4.170 -0.000 0.000 0.291 363 I C 0.030 176.093 176.117 -0.090 0.000 1.033 363 I CA 0.076 61.309 61.300 -0.112 0.000 1.253 363 I CB 1.302 39.210 38.000 -0.153 0.000 1.396 363 I HN -0.078 nan 8.210 nan 0.000 0.476 364 T N 5.068 119.590 114.554 -0.053 0.000 2.744 364 T HA 0.393 4.743 4.350 -0.000 0.000 0.291 364 T C -0.095 174.590 174.700 -0.025 0.000 0.957 364 T CA -0.553 61.525 62.100 -0.037 0.000 1.002 364 T CB 0.844 69.697 68.868 -0.026 0.000 0.919 364 T HN 0.704 nan 8.240 nan 0.000 0.468 365 S N 1.332 117.019 115.700 -0.023 0.000 2.571 365 S HA 0.416 4.886 4.470 -0.000 0.000 0.284 365 S C 0.225 174.825 174.600 -0.001 0.000 1.128 365 S CA -0.802 57.387 58.200 -0.019 0.000 0.970 365 S CB 0.863 64.038 63.200 -0.042 0.000 1.039 365 S HN 0.936 nan 8.310 nan 0.000 0.485 366 C N 2.806 122.108 119.300 0.003 0.000 4.350 366 C HA -0.196 4.264 4.460 -0.000 0.000 0.302 366 C C 1.271 176.303 174.990 0.070 0.000 1.390 366 C CA 0.991 60.024 59.018 0.024 0.000 2.016 366 C CB -3.081 24.657 27.740 -0.004 0.000 1.271 366 C HN 1.921 nan 8.230 nan 0.000 0.760 367 S N -0.929 114.803 115.700 0.053 0.000 3.380 367 S HA -0.199 4.271 4.470 -0.000 0.000 0.300 367 S C 0.258 174.895 174.600 0.060 0.000 1.255 367 S CA 1.308 59.540 58.200 0.054 0.000 0.963 367 S CB -0.965 62.281 63.200 0.076 0.000 1.106 367 S HN 1.080 nan 8.310 nan 0.000 0.629 368 S N 1.638 117.381 115.700 0.071 0.000 2.671 368 S HA 0.800 5.270 4.470 -0.000 0.000 0.299 368 S C -0.440 174.174 174.600 0.023 0.000 1.116 368 S CA -0.817 57.439 58.200 0.092 0.000 0.912 368 S CB 1.806 65.129 63.200 0.207 0.000 1.130 368 S HN 0.615 nan 8.310 nan 0.000 0.501 369 N N -0.745 117.960 118.700 0.009 0.000 2.484 369 N HA 0.347 5.087 4.740 -0.000 0.000 0.269 369 N C -1.707 173.741 175.510 -0.104 0.000 1.237 369 N CA -0.534 52.478 53.050 -0.063 0.000 0.838 369 N CB 1.053 39.492 38.487 -0.080 0.000 1.593 369 N HN 0.328 nan 8.380 nan 0.000 0.485 370 V N 0.639 120.460 119.914 -0.156 0.000 2.649 370 V HA 0.466 4.586 4.120 -0.000 0.000 0.292 370 V C 0.510 176.468 176.094 -0.227 0.000 1.055 370 V CA 0.036 62.219 62.300 -0.195 0.000 1.023 370 V CB 1.015 32.718 31.823 -0.201 0.000 0.992 370 V HN 0.857 nan 8.190 nan 0.000 0.480 371 S N 2.796 118.280 115.700 -0.360 0.000 2.685 371 S HA 0.795 5.265 4.470 -0.000 0.000 0.282 371 S C -1.402 173.023 174.600 -0.293 0.000 1.159 371 S CA -0.468 57.534 58.200 -0.331 0.000 0.833 371 S CB 2.063 65.024 63.200 -0.398 0.000 1.151 371 S HN 0.654 nan 8.310 nan 0.000 0.485 372 V N 1.073 120.919 119.914 -0.113 0.000 2.876 372 V HA 0.996 5.115 4.120 -0.000 0.000 0.312 372 V C -0.231 175.833 176.094 -0.050 0.000 1.085 372 V CA 0.308 62.507 62.300 -0.168 0.000 0.945 372 V CB 1.362 32.929 31.823 -0.426 0.000 1.017 372 V HN 1.360 nan 8.190 nan 0.000 0.428 373 A N 4.417 127.086 122.820 -0.251 0.000 2.535 373 A HA 0.884 5.204 4.320 -0.000 0.000 0.296 373 A C -1.320 175.799 177.584 -0.775 0.000 1.248 373 A CA -0.580 51.187 52.037 -0.451 0.000 0.686 373 A CB 1.751 20.348 19.000 -0.672 0.000 1.315 373 A HN 0.927 nan 8.150 nan 0.000 0.460 374 H N 0.313 119.055 119.070 -0.547 0.000 2.717 374 H HA 0.385 4.941 4.556 -0.000 0.000 0.366 374 H C -1.165 173.885 175.328 -0.463 0.000 1.132 374 H CA -0.445 55.313 56.048 -0.482 0.000 1.180 374 H CB 1.891 31.354 29.762 -0.498 0.000 1.678 374 H HN 0.908 nan 8.280 nan 0.000 0.537 375 D N 0.763 121.108 120.400 -0.092 0.000 2.447 375 D HA 0.167 4.807 4.640 -0.000 0.000 0.265 375 D C 1.346 177.784 176.300 0.230 0.000 1.250 375 D CA -0.365 53.657 54.000 0.036 0.000 1.046 375 D CB 0.361 41.169 40.800 0.014 0.000 1.095 375 D HN 0.466 nan 8.370 nan 0.000 0.555 376 A N -0.148 122.783 122.820 0.185 0.000 1.948 376 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 376 A C 2.028 179.686 177.584 0.124 0.000 1.177 376 A CA 2.675 54.797 52.037 0.141 0.000 0.636 376 A CB -1.187 17.854 19.000 0.069 0.000 0.815 376 A HN 0.657 nan 8.150 nan 0.000 0.449 377 S N -2.202 113.560 115.700 0.103 0.000 2.603 377 S HA 0.373 4.843 4.470 -0.000 0.000 0.220 377 S C 1.409 176.063 174.600 0.089 0.000 0.967 377 S CA 1.074 59.319 58.200 0.075 0.000 0.920 377 S CB -0.244 62.987 63.200 0.052 0.000 0.773 377 S HN 1.980 nan 8.310 nan 0.000 0.529 378 G N 1.137 110.021 108.800 0.141 0.000 2.176 378 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.253 378 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.253 378 G C -0.041 174.961 174.900 0.170 0.000 0.979 378 G CA 0.236 45.412 45.100 0.126 0.000 0.641 378 G HN 0.738 nan 8.290 nan 0.000 0.530 379 K N 1.015 121.474 120.400 0.098 0.000 2.350 379 K HA 0.399 4.719 4.320 -0.000 0.000 0.279 379 K C 0.838 177.404 176.600 -0.058 0.000 1.027 379 K CA -0.666 55.648 56.287 0.046 0.000 0.969 379 K CB 0.276 32.785 32.500 0.014 0.000 0.954 379 K HN 0.335 nan 8.250 nan 0.000 0.474 380 R N 1.906 122.318 120.500 -0.147 0.000 2.522 380 R HA 0.118 4.458 4.340 -0.000 0.000 0.284 380 R C -0.708 175.362 176.300 -0.382 0.000 1.032 380 R CA -0.271 55.558 56.100 -0.452 0.000 1.049 380 R CB 0.658 30.719 30.300 -0.398 0.000 0.956 380 R HN 0.244 nan 8.270 nan 0.000 0.422 381 V N 4.774 124.407 119.914 -0.468 0.000 2.525 381 V HA 0.232 4.352 4.120 -0.000 0.000 0.299 381 V C -0.893 175.060 176.094 -0.235 0.000 1.034 381 V CA -0.907 61.239 62.300 -0.257 0.000 0.863 381 V CB 1.113 32.834 31.823 -0.169 0.000 0.999 381 V HN 0.591 nan 8.190 nan 0.000 0.423 382 Y N 5.156 125.448 120.300 -0.013 0.000 2.301 382 Y HA 0.652 5.202 4.550 -0.000 0.000 0.325 382 Y C 0.065 176.024 175.900 0.097 0.000 1.203 382 Y CA -0.060 58.035 58.100 -0.008 0.000 1.255 382 Y CB 1.235 39.650 38.460 -0.076 0.000 1.232 382 Y HN 0.744 nan 8.280 nan 0.000 0.501 383 Y N 0.076 120.436 120.300 0.100 0.000 2.656 383 Y HA 0.636 5.186 4.550 -0.000 0.000 0.334 383 Y C -2.275 173.679 175.900 0.091 0.000 1.179 383 Y CA -1.892 56.247 58.100 0.066 0.000 1.050 383 Y CB 0.554 39.024 38.460 0.016 0.000 1.308 383 Y HN 0.456 nan 8.280 nan 0.000 0.456 384 L N 2.122 123.417 121.223 0.120 0.000 2.312 384 L HA 0.770 5.110 4.340 -0.000 0.000 0.281 384 L C 0.091 177.162 176.870 0.336 0.000 1.070 384 L CA 0.477 55.388 54.840 0.117 0.000 0.805 384 L CB 1.462 43.620 42.059 0.166 0.000 1.174 384 L HN 1.036 nan 8.230 nan 0.000 0.434 385 T N 4.088 118.786 114.554 0.239 0.000 2.696 385 T HA 0.870 5.220 4.350 -0.000 0.000 0.291 385 T C -1.317 173.451 174.700 0.114 0.000 1.095 385 T CA -0.557 61.724 62.100 0.302 0.000 1.026 385 T CB 1.147 70.181 68.868 0.277 0.000 1.390 385 T HN 0.854 nan 8.240 nan 0.000 0.513 386 R N 0.442 120.941 120.500 -0.003 0.000 2.741 386 R HA 0.421 4.760 4.340 -0.000 0.000 0.276 386 R C -1.656 174.460 176.300 -0.306 0.000 1.028 386 R CA -0.989 55.016 56.100 -0.159 0.000 0.865 386 R CB 0.298 30.442 30.300 -0.259 0.000 1.268 386 R HN 0.552 nan 8.270 nan 0.000 0.475 387 D N 1.783 122.007 120.400 -0.294 0.000 2.425 387 D HA 0.067 4.707 4.640 -0.000 0.000 0.247 387 D C -1.394 174.532 176.300 -0.623 0.000 1.147 387 D CA -1.368 52.412 54.000 -0.367 0.000 0.879 387 D CB 1.330 41.999 40.800 -0.218 0.000 1.179 387 D HN 0.370 nan 8.370 nan 0.000 0.456 388 P HA 0.007 nan 4.420 nan 0.000 0.249 388 P C 1.114 178.086 177.300 -0.546 0.000 1.229 388 P CA 0.106 62.521 63.100 -1.141 0.000 0.788 388 P CB 0.336 31.173 31.700 -1.439 0.000 1.072 389 T N 0.101 114.449 114.554 -0.344 0.000 2.607 389 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 389 T C 1.782 176.407 174.700 -0.126 0.000 1.049 389 T CA 2.511 64.505 62.100 -0.177 0.000 1.162 389 T CB -1.151 67.656 68.868 -0.103 0.000 0.863 389 T HN 0.203 nan 8.240 nan 0.000 0.424 390 T N 2.174 116.658 114.554 -0.117 0.000 2.708 390 T HA -0.048 4.302 4.350 -0.000 0.000 0.266 390 T C -0.543 174.103 174.700 -0.090 0.000 1.037 390 T CA 1.186 63.235 62.100 -0.086 0.000 1.146 390 T CB -1.214 67.626 68.868 -0.047 0.000 0.865 390 T HN 0.325 nan 8.240 nan 0.000 0.435 391 P HA -0.008 nan 4.420 nan 0.000 0.215 391 P C 1.519 178.854 177.300 0.059 0.000 1.153 391 P CA 0.926 64.034 63.100 0.014 0.000 0.853 391 P CB -0.176 31.529 31.700 0.010 0.000 0.788 392 L N -1.397 119.812 121.223 -0.025 0.000 2.056 392 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 392 L C 2.457 179.350 176.870 0.039 0.000 1.078 392 L CA 1.495 56.340 54.840 0.008 0.000 0.749 392 L CB -1.182 40.841 42.059 -0.060 0.000 0.901 392 L HN -0.048 nan 8.230 nan 0.000 0.433 393 A N 0.277 123.106 122.820 0.016 0.000 1.902 393 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 393 A C 2.379 180.016 177.584 0.089 0.000 1.181 393 A CA 1.434 53.498 52.037 0.045 0.000 0.623 393 A CB -0.439 18.558 19.000 -0.006 0.000 0.818 393 A HN 0.327 nan 8.150 nan 0.000 0.443 394 R N -0.621 119.904 120.500 0.042 0.000 2.092 394 R HA -0.001 4.339 4.340 -0.000 0.000 0.231 394 R C 2.450 178.904 176.300 0.257 0.000 1.119 394 R CA 1.020 57.170 56.100 0.083 0.000 0.970 394 R CB -0.421 29.871 30.300 -0.014 0.000 0.864 394 R HN 0.508 nan 8.270 nan 0.000 0.440 395 A N 1.454 124.440 122.820 0.276 0.000 1.902 395 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 395 A C 2.376 180.170 177.584 0.350 0.000 1.181 395 A CA 1.644 53.948 52.037 0.445 0.000 0.623 395 A CB -0.532 18.745 19.000 0.461 0.000 0.818 395 A HN 0.374 nan 8.150 nan 0.000 0.443 396 A N -1.283 121.654 122.820 0.195 0.000 1.898 396 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 396 A C 2.105 179.817 177.584 0.214 0.000 1.181 396 A CA 1.335 53.454 52.037 0.137 0.000 0.620 396 A CB -0.888 18.177 19.000 0.108 0.000 0.819 396 A HN 0.841 nan 8.150 nan 0.000 0.442 397 W N 1.203 122.554 121.300 0.084 0.000 2.335 397 W HA -0.176 4.484 4.660 -0.000 0.000 0.311 397 W C 1.563 178.146 176.519 0.106 0.000 1.213 397 W CA 2.034 59.424 57.345 0.076 0.000 1.274 397 W CB -0.318 29.165 29.460 0.037 0.000 1.148 397 W HN 0.554 nan 8.180 nan 0.000 0.498 398 E N -0.741 119.714 120.200 0.426 0.000 2.409 398 E HA -0.126 4.224 4.350 -0.000 0.000 0.198 398 E C 1.939 178.701 176.600 0.269 0.000 1.024 398 E CA 1.415 58.027 56.400 0.354 0.000 0.861 398 E CB -0.118 29.850 29.700 0.447 0.000 0.788 398 E HN 0.121 nan 8.360 nan 0.000 0.521 399 T N 0.173 114.872 114.554 0.241 0.000 2.978 399 T HA 0.035 4.385 4.350 -0.000 0.000 0.262 399 T C 1.884 176.623 174.700 0.064 0.000 1.063 399 T CA 0.900 63.105 62.100 0.175 0.000 1.140 399 T CB 0.118 69.095 68.868 0.183 0.000 0.886 399 T HN 0.217 nan 8.240 nan 0.000 0.470 400 A N 1.310 124.125 122.820 -0.009 0.000 1.975 400 A HA 0.220 4.540 4.320 -0.000 0.000 0.215 400 A C 1.146 178.653 177.584 -0.129 0.000 1.170 400 A CA 0.442 52.422 52.037 -0.095 0.000 0.656 400 A CB 0.127 19.021 19.000 -0.176 0.000 0.821 400 A HN 0.333 nan 8.150 nan 0.000 0.449 401 R N -0.166 120.233 120.500 -0.168 0.000 2.561 401 R HA 0.311 4.651 4.340 -0.000 0.000 0.297 401 R C -0.931 175.397 176.300 0.047 0.000 0.969 401 R CA -0.671 55.357 56.100 -0.120 0.000 0.879 401 R CB 1.262 31.372 30.300 -0.317 0.000 1.178 401 R HN 0.469 nan 8.270 nan 0.000 0.445 402 H N 2.680 121.758 119.070 0.014 0.000 2.929 402 H HA 0.055 4.611 4.556 -0.000 0.000 0.317 402 H C -0.640 174.735 175.328 0.079 0.000 1.031 402 H CA 0.826 56.910 56.048 0.059 0.000 1.466 402 H CB 0.791 30.574 29.762 0.034 0.000 1.482 402 H HN 0.673 nan 8.280 nan 0.000 0.561 403 T N 2.615 117.051 114.554 -0.197 0.000 2.876 403 T HA 0.236 4.586 4.350 -0.000 0.000 0.289 403 T C -2.029 172.566 174.700 -0.175 0.000 1.014 403 T CA -1.900 60.162 62.100 -0.064 0.000 0.986 403 T CB 2.082 70.998 68.868 0.079 0.000 1.021 403 T HN 0.296 nan 8.240 nan 0.000 0.458 404 P HA -0.006 nan 4.420 nan 0.000 0.216 404 P C 0.096 177.328 177.300 -0.114 0.000 1.153 404 P CA 0.573 63.599 63.100 -0.123 0.000 0.858 404 P CB 0.089 31.720 31.700 -0.115 0.000 0.789 405 V N 1.316 121.174 119.914 -0.093 0.000 2.427 405 V HA 0.190 4.309 4.120 -0.000 0.000 0.286 405 V C 0.177 176.200 176.094 -0.119 0.000 1.034 405 V CA -0.583 61.654 62.300 -0.104 0.000 0.893 405 V CB 1.299 33.071 31.823 -0.085 0.000 0.982 405 V HN 0.047 nan 8.190 nan 0.000 0.452 406 N N 3.114 121.688 118.700 -0.210 0.000 2.817 406 N HA 0.086 4.826 4.740 -0.000 0.000 0.234 406 N C 1.262 176.526 175.510 -0.410 0.000 1.066 406 N CA 0.058 52.906 53.050 -0.335 0.000 0.926 406 N CB 1.620 39.742 38.487 -0.609 0.000 1.176 406 N HN 0.797 nan 8.380 nan 0.000 0.506 407 S N 1.352 116.949 115.700 -0.172 0.000 2.419 407 S HA -0.125 4.344 4.470 -0.000 0.000 0.233 407 S C 1.797 176.348 174.600 -0.082 0.000 1.016 407 S CA 0.219 58.357 58.200 -0.104 0.000 0.974 407 S CB -0.443 62.748 63.200 -0.015 0.000 0.786 407 S HN 0.774 nan 8.310 nan 0.000 0.492 408 W N 1.085 122.311 121.300 -0.123 0.000 2.374 408 W HA -0.021 4.639 4.660 -0.000 0.000 0.288 408 W C 1.629 178.027 176.519 -0.201 0.000 1.218 408 W CA 0.465 57.693 57.345 -0.196 0.000 1.245 408 W CB -0.906 28.187 29.460 -0.612 0.000 1.126 408 W HN 0.378 nan 8.180 nan 0.000 0.545 409 L N 2.786 123.399 121.223 -1.017 0.000 2.131 409 L HA 0.236 4.576 4.340 -0.000 0.000 0.206 409 L C 2.631 179.293 176.870 -0.348 0.000 1.087 409 L CA 2.578 56.877 54.840 -0.902 0.000 0.767 409 L CB -1.341 39.924 42.059 -1.324 0.000 0.917 409 L HN 0.029 nan 8.230 nan 0.000 0.441 410 G N -0.479 108.145 108.800 -0.292 0.000 2.418 410 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.217 410 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.217 410 G C 1.466 176.364 174.900 -0.003 0.000 1.158 410 G CA 0.773 45.790 45.100 -0.139 0.000 0.771 410 G HN 0.431 nan 8.290 nan 0.000 0.545 411 N N 0.576 119.329 118.700 0.088 0.000 2.120 411 N HA -0.020 4.720 4.740 -0.000 0.000 0.188 411 N C 2.247 177.878 175.510 0.202 0.000 1.024 411 N CA 0.686 53.902 53.050 0.277 0.000 0.852 411 N CB -0.184 38.540 38.487 0.396 0.000 1.003 411 N HN 0.340 nan 8.380 nan 0.000 0.424 412 I N 0.880 121.534 120.570 0.140 0.000 2.252 412 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 412 I C 2.024 178.177 176.117 0.059 0.000 1.102 412 I CA 0.799 62.162 61.300 0.105 0.000 1.385 412 I CB -0.137 37.985 38.000 0.204 0.000 1.064 412 I HN 0.048 nan 8.210 nan 0.000 0.414 413 I N 0.073 120.684 120.570 0.068 0.000 2.142 413 I HA -0.301 3.869 4.170 -0.000 0.000 0.240 413 I C 2.529 178.736 176.117 0.150 0.000 1.078 413 I CA 1.292 62.663 61.300 0.119 0.000 1.343 413 I CB -0.248 37.818 38.000 0.109 0.000 1.046 413 I HN 0.207 nan 8.210 nan 0.000 0.405 414 M N -0.646 118.964 119.600 0.017 0.000 2.254 414 M HA -0.121 4.359 4.480 -0.000 0.000 0.265 414 M C 1.145 177.221 176.300 -0.372 0.000 1.066 414 M CA 1.735 56.938 55.300 -0.162 0.000 1.123 414 M CB -0.871 31.517 32.600 -0.354 0.000 1.388 414 M HN 0.225 nan 8.290 nan 0.000 0.425 415 Y N -0.620 119.664 120.300 -0.027 0.000 2.751 415 Y HA 0.455 5.005 4.550 -0.000 0.000 0.289 415 Y C 1.783 177.418 175.900 -0.442 0.000 1.110 415 Y CA -0.333 57.639 58.100 -0.214 0.000 1.251 415 Y CB -0.480 37.808 38.460 -0.287 0.000 1.178 415 Y HN 0.162 nan 8.280 nan 0.000 0.540 416 A N 0.957 123.564 122.820 -0.355 0.000 1.948 416 A HA -0.152 4.168 4.320 -0.000 0.000 0.220 416 A C -0.524 176.779 177.584 -0.469 0.000 1.177 416 A CA 1.568 53.370 52.037 -0.392 0.000 0.636 416 A CB -1.286 17.497 19.000 -0.362 0.000 0.815 416 A HN 0.296 nan 8.150 nan 0.000 0.449 417 P HA 0.015 nan 4.420 nan 0.000 0.233 417 P C 0.677 177.685 177.300 -0.486 0.000 1.167 417 P CA 1.185 63.992 63.100 -0.488 0.000 0.770 417 P CB -0.329 31.088 31.700 -0.471 0.000 0.837 418 T N -1.562 112.706 114.554 -0.476 0.000 2.900 418 T HA 0.104 4.454 4.350 -0.000 0.000 0.307 418 T C 1.308 175.577 174.700 -0.718 0.000 1.065 418 T CA -0.489 61.272 62.100 -0.566 0.000 1.105 418 T CB 0.468 68.796 68.868 -0.900 0.000 0.979 418 T HN -0.049 nan 8.240 nan 0.000 0.544 419 L N 0.934 121.642 121.223 -0.858 0.000 2.141 419 L HA 0.126 4.466 4.340 -0.000 0.000 0.209 419 L C 2.407 178.971 176.870 -0.510 0.000 1.094 419 L CA 0.795 55.145 54.840 -0.817 0.000 0.763 419 L CB -1.277 40.146 42.059 -1.059 0.000 0.908 419 L HN 0.878 nan 8.230 nan 0.000 0.437 420 W N 0.399 121.480 121.300 -0.365 0.000 2.418 420 W HA 0.177 4.837 4.660 -0.000 0.000 0.292 420 W C 2.114 178.492 176.519 -0.235 0.000 1.213 420 W CA 0.628 57.798 57.345 -0.291 0.000 1.283 420 W CB -1.156 28.168 29.460 -0.227 0.000 1.119 420 W HN 0.287 nan 8.180 nan 0.000 0.542 421 A N 1.759 124.155 122.820 -0.706 0.000 1.929 421 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 421 A C 2.254 179.694 177.584 -0.241 0.000 1.176 421 A CA 1.469 53.226 52.037 -0.467 0.000 0.628 421 A CB -0.675 17.895 19.000 -0.717 0.000 0.816 421 A HN 0.287 nan 8.150 nan 0.000 0.444 422 R N -0.959 119.321 120.500 -0.367 0.000 2.057 422 R HA 0.049 4.389 4.340 -0.000 0.000 0.229 422 R C 2.225 178.371 176.300 -0.256 0.000 1.136 422 R CA 1.728 57.637 56.100 -0.318 0.000 0.952 422 R CB -0.356 29.614 30.300 -0.550 0.000 0.848 422 R HN 0.501 nan 8.270 nan 0.000 0.430 423 M N -0.253 119.038 119.600 -0.515 0.000 2.288 423 M HA -0.010 4.469 4.480 -0.000 0.000 0.266 423 M C 1.876 178.106 176.300 -0.115 0.000 1.072 423 M CA 1.430 56.509 55.300 -0.368 0.000 1.132 423 M CB 0.126 32.414 32.600 -0.519 0.000 1.386 423 M HN 0.128 nan 8.290 nan 0.000 0.432 424 I N -0.759 119.592 120.570 -0.366 0.000 2.962 424 I HA -0.082 4.087 4.170 -0.000 0.000 0.246 424 I C 2.075 177.995 176.117 -0.329 0.000 1.091 424 I CA 0.336 61.155 61.300 -0.802 0.000 1.469 424 I CB -0.262 37.208 38.000 -0.884 0.000 1.324 424 I HN 0.121 nan 8.210 nan 0.000 0.461 425 L N 0.393 121.607 121.223 -0.015 0.000 1.994 425 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 425 L C 2.713 179.867 176.870 0.474 0.000 1.071 425 L CA 1.698 56.721 54.840 0.304 0.000 0.745 425 L CB -0.501 41.789 42.059 0.385 0.000 0.892 425 L HN 0.283 nan 8.230 nan 0.000 0.431 426 M N -0.912 118.940 119.600 0.420 0.000 2.080 426 M HA -0.189 4.291 4.480 -0.000 0.000 0.260 426 M C 2.331 179.132 176.300 0.835 0.000 1.068 426 M CA 2.054 57.731 55.300 0.629 0.000 1.109 426 M CB -0.730 32.104 32.600 0.390 0.000 1.342 426 M HN 0.278 nan 8.290 nan 0.000 0.405 427 T N -1.162 113.834 114.554 0.737 0.000 2.622 427 T HA -0.242 4.108 4.350 -0.000 0.000 0.266 427 T C 1.656 176.645 174.700 0.482 0.000 1.047 427 T CA 2.044 64.555 62.100 0.685 0.000 1.159 427 T CB -0.639 68.666 68.868 0.728 0.000 0.863 427 T HN 0.507 nan 8.240 nan 0.000 0.422 428 H N 0.370 119.606 119.070 0.278 0.000 2.319 428 H HA -0.066 4.490 4.556 -0.000 0.000 0.299 428 H C 1.882 177.075 175.328 -0.225 0.000 1.092 428 H CA 1.789 57.863 56.048 0.043 0.000 1.302 428 H CB -0.543 29.106 29.762 -0.189 0.000 1.373 428 H HN 0.404 nan 8.280 nan 0.000 0.497 429 F N -1.059 118.855 119.950 -0.060 0.000 2.163 429 F HA -0.040 4.487 4.527 -0.000 0.000 0.297 429 F C 2.003 177.641 175.800 -0.270 0.000 1.094 429 F CA 0.694 58.444 58.000 -0.417 0.000 1.290 429 F CB -0.402 38.080 39.000 -0.865 0.000 1.017 429 F HN 0.138 nan 8.300 nan 0.000 0.483 430 F N -0.582 119.484 119.950 0.193 0.000 2.293 430 F HA -0.198 4.328 4.527 -0.000 0.000 0.300 430 F C 2.695 178.527 175.800 0.052 0.000 1.086 430 F CA 1.397 59.508 58.000 0.185 0.000 1.375 430 F CB -0.732 38.463 39.000 0.325 0.000 1.045 430 F HN -0.093 nan 8.300 nan 0.000 0.516 431 S N 0.348 116.129 115.700 0.135 0.000 2.368 431 S HA -0.150 4.320 4.470 -0.000 0.000 0.224 431 S C 2.082 176.648 174.600 -0.055 0.000 1.029 431 S CA 1.287 59.496 58.200 0.014 0.000 0.988 431 S CB -0.382 62.805 63.200 -0.021 0.000 0.838 431 S HN 0.337 nan 8.310 nan 0.000 0.462 432 I N 1.122 121.598 120.570 -0.155 0.000 2.286 432 I HA -0.123 4.047 4.170 -0.000 0.000 0.245 432 I C 2.204 178.285 176.117 -0.060 0.000 1.104 432 I CA 0.903 62.105 61.300 -0.162 0.000 1.397 432 I CB -0.356 37.467 38.000 -0.295 0.000 1.072 432 I HN 0.298 nan 8.210 nan 0.000 0.417 433 L N 0.299 121.500 121.223 -0.037 0.000 2.042 433 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 433 L C 2.579 179.479 176.870 0.050 0.000 1.076 433 L CA 1.395 56.244 54.840 0.014 0.000 0.749 433 L CB -0.512 41.537 42.059 -0.016 0.000 0.893 433 L HN 0.288 nan 8.230 nan 0.000 0.432 434 L N -0.386 120.879 121.223 0.069 0.000 1.994 434 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 434 L C 2.874 179.762 176.870 0.030 0.000 1.071 434 L CA 1.331 56.212 54.840 0.067 0.000 0.745 434 L CB -0.633 41.465 42.059 0.066 0.000 0.892 434 L HN 0.234 nan 8.230 nan 0.000 0.431 435 A N -0.668 122.157 122.820 0.007 0.000 1.978 435 A HA -0.242 4.078 4.320 -0.000 0.000 0.220 435 A C 2.032 179.617 177.584 0.002 0.000 1.170 435 A CA 1.642 53.676 52.037 -0.006 0.000 0.636 435 A CB -0.372 18.612 19.000 -0.027 0.000 0.810 435 A HN 0.584 nan 8.150 nan 0.000 0.448 436 Q N -1.029 118.777 119.800 0.010 0.000 2.319 436 Q HA 0.111 4.451 4.340 -0.000 0.000 0.202 436 Q C -0.616 175.402 176.000 0.030 0.000 0.896 436 Q CA -0.059 55.755 55.803 0.018 0.000 0.942 436 Q CB 0.496 29.249 28.738 0.024 0.000 1.083 436 Q HN 0.492 nan 8.270 nan 0.000 0.510 437 E N 0.825 121.047 120.200 0.036 0.000 2.297 437 E HA -0.241 4.109 4.350 -0.000 0.000 0.228 437 E C -0.405 176.227 176.600 0.054 0.000 1.213 437 E CA 0.777 57.203 56.400 0.045 0.000 0.712 437 E CB -1.269 28.451 29.700 0.035 0.000 1.202 437 E HN 0.598 nan 8.360 nan 0.000 0.376 438 Q N -0.504 119.334 119.800 0.064 0.000 2.165 438 Q HA 0.243 4.583 4.340 -0.000 0.000 0.245 438 Q C 1.840 177.893 176.000 0.088 0.000 0.841 438 Q CA -0.225 55.623 55.803 0.076 0.000 1.078 438 Q CB 0.452 29.241 28.738 0.085 0.000 1.169 438 Q HN 0.316 nan 8.270 nan 0.000 0.475 439 L N 0.083 121.364 121.223 0.096 0.000 2.131 439 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 439 L C 1.142 178.084 176.870 0.120 0.000 1.092 439 L CA 1.365 56.280 54.840 0.125 0.000 0.759 439 L CB 0.125 42.283 42.059 0.164 0.000 0.903 439 L HN 0.200 nan 8.230 nan 0.000 0.435 440 E N -0.687 119.572 120.200 0.098 0.000 2.474 440 E HA -0.018 4.332 4.350 -0.000 0.000 0.195 440 E C 0.338 176.986 176.600 0.080 0.000 1.039 440 E CA -0.032 56.421 56.400 0.088 0.000 0.881 440 E CB 0.154 29.898 29.700 0.074 0.000 0.970 440 E HN 0.025 nan 8.360 nan 0.000 0.486 441 K N 1.632 122.083 120.400 0.084 0.000 2.349 441 K HA 0.319 4.639 4.320 -0.000 0.000 0.288 441 K C -0.423 176.224 176.600 0.080 0.000 1.058 441 K CA -0.163 56.174 56.287 0.084 0.000 0.953 441 K CB 0.498 33.056 32.500 0.097 0.000 0.997 441 K HN 0.011 nan 8.250 nan 0.000 0.477 442 A N 5.056 127.918 122.820 0.070 0.000 2.371 442 A HA 0.520 4.840 4.320 -0.000 0.000 0.257 442 A C -0.721 176.888 177.584 0.041 0.000 1.089 442 A CA -0.431 51.639 52.037 0.054 0.000 0.794 442 A CB 0.070 19.105 19.000 0.058 0.000 1.029 442 A HN 0.736 nan 8.150 nan 0.000 0.488 443 L N 1.401 122.620 121.223 -0.006 0.000 2.388 443 L HA 0.394 4.734 4.340 -0.000 0.000 0.264 443 L C -0.984 175.833 176.870 -0.088 0.000 0.998 443 L CA -1.025 53.784 54.840 -0.052 0.000 0.817 443 L CB 2.189 44.173 42.059 -0.126 0.000 1.338 443 L HN 0.569 nan 8.230 nan 0.000 0.414 444 D N 1.500 121.852 120.400 -0.081 0.000 2.256 444 D HA 0.467 5.107 4.640 -0.000 0.000 0.250 444 D C -0.594 175.608 176.300 -0.163 0.000 1.093 444 D CA 0.031 53.983 54.000 -0.080 0.000 0.882 444 D CB 1.657 42.448 40.800 -0.016 0.000 1.185 444 D HN 0.609 nan 8.370 nan 0.000 0.437 445 C N 1.394 120.591 119.300 -0.172 0.000 2.891 445 C HA 0.426 4.886 4.460 -0.000 0.000 0.342 445 C C -0.831 174.064 174.990 -0.158 0.000 1.126 445 C CA -1.018 57.875 59.018 -0.208 0.000 1.322 445 C CB 1.709 29.266 27.740 -0.305 0.000 1.763 445 C HN 0.416 nan 8.230 nan 0.000 0.491 446 Q N 2.194 121.918 119.800 -0.127 0.000 2.288 446 Q HA 0.614 4.953 4.340 -0.000 0.000 0.254 446 Q C -0.613 175.345 176.000 -0.070 0.000 0.932 446 Q CA 0.209 55.963 55.803 -0.081 0.000 0.902 446 Q CB 1.603 30.311 28.738 -0.049 0.000 1.203 446 Q HN 0.848 nan 8.270 nan 0.000 0.415 447 I N 2.298 122.852 120.570 -0.028 0.000 2.497 447 I HA 0.157 4.327 4.170 -0.000 0.000 0.284 447 I C -0.479 175.709 176.117 0.118 0.000 1.060 447 I CA -0.598 60.646 61.300 -0.094 0.000 1.071 447 I CB 1.046 38.755 38.000 -0.484 0.000 1.216 447 I HN 0.712 nan 8.210 nan 0.000 0.442 448 Y N 5.061 125.418 120.300 0.095 0.000 3.589 448 Y HA -0.327 4.223 4.550 -0.000 0.000 0.218 448 Y C 1.570 177.468 175.900 -0.003 0.000 1.234 448 Y CA 0.303 58.459 58.100 0.092 0.000 1.576 448 Y CB -1.103 37.426 38.460 0.115 0.000 1.487 448 Y HN 1.026 nan 8.280 nan 0.000 0.616 449 G N -1.348 107.549 108.800 0.161 0.000 2.304 449 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.252 449 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.252 449 G C 0.267 175.174 174.900 0.011 0.000 1.014 449 G CA 0.071 45.215 45.100 0.075 0.000 0.619 449 G HN 1.384 nan 8.290 nan 0.000 0.525 450 A N -0.490 122.324 122.820 -0.009 0.000 2.302 450 A HA 0.628 4.948 4.320 -0.000 0.000 0.285 450 A C 0.651 177.981 177.584 -0.423 0.000 1.105 450 A CA 0.510 52.351 52.037 -0.327 0.000 0.816 450 A CB 0.942 19.613 19.000 -0.548 0.000 1.067 450 A HN 1.550 nan 8.150 nan 0.000 0.489 451 C N 2.174 121.129 119.300 -0.575 0.000 2.307 451 C HA 0.769 5.229 4.460 -0.000 0.000 0.340 451 C C -1.008 173.476 174.990 -0.843 0.000 1.275 451 C CA -0.498 58.240 59.018 -0.467 0.000 1.811 451 C CB -1.425 26.224 27.740 -0.152 0.000 2.372 451 C HN 0.646 nan 8.230 nan 0.000 0.531 452 Y N 2.646 122.701 120.300 -0.409 0.000 2.536 452 Y HA 0.483 5.033 4.550 -0.000 0.000 0.347 452 Y C 0.400 176.118 175.900 -0.303 0.000 1.000 452 Y CA -0.482 57.350 58.100 -0.447 0.000 1.051 452 Y CB 1.796 39.900 38.460 -0.593 0.000 1.259 452 Y HN 0.552 nan 8.280 nan 0.000 0.468 453 S N 3.054 118.710 115.700 -0.073 0.000 2.420 453 S HA 0.688 5.158 4.470 -0.000 0.000 0.313 453 S C -0.972 173.640 174.600 0.020 0.000 1.079 453 S CA -0.332 57.861 58.200 -0.011 0.000 1.104 453 S CB -0.457 62.763 63.200 0.034 0.000 0.969 453 S HN 0.508 nan 8.310 nan 0.000 0.471 454 I N 3.738 124.302 120.570 -0.011 0.000 2.509 454 I HA 0.407 4.577 4.170 -0.000 0.000 0.293 454 I C -0.058 176.068 176.117 0.015 0.000 1.020 454 I CA -0.609 60.701 61.300 0.017 0.000 1.088 454 I CB 2.168 40.152 38.000 -0.026 0.000 1.267 454 I HN 0.506 nan 8.210 nan 0.000 0.430 455 E N 7.022 127.256 120.200 0.057 0.000 2.146 455 E HA 0.215 4.565 4.350 -0.000 0.000 0.282 455 E C -1.623 175.032 176.600 0.091 0.000 0.989 455 E CA -1.712 54.729 56.400 0.068 0.000 0.799 455 E CB 1.479 31.227 29.700 0.079 0.000 1.088 455 E HN 0.341 nan 8.360 nan 0.000 0.397 456 P HA -0.179 nan 4.420 nan 0.000 0.219 456 P C 1.165 178.638 177.300 0.289 0.000 1.146 456 P CA 1.058 64.244 63.100 0.144 0.000 0.808 456 P CB 0.306 32.042 31.700 0.062 0.000 0.779 457 L N -0.370 121.002 121.223 0.248 0.000 2.362 457 L HA -0.075 4.265 4.340 -0.000 0.000 0.219 457 L C 1.643 178.627 176.870 0.190 0.000 1.134 457 L CA 1.093 56.095 54.840 0.270 0.000 0.807 457 L CB -0.694 41.483 42.059 0.195 0.000 0.927 457 L HN -0.099 nan 8.230 nan 0.000 0.447 458 D N -0.334 120.159 120.400 0.155 0.000 2.349 458 D HA -0.016 4.624 4.640 -0.000 0.000 0.224 458 D C 2.251 178.624 176.300 0.122 0.000 1.029 458 D CA 0.314 54.378 54.000 0.106 0.000 0.879 458 D CB 0.213 41.063 40.800 0.085 0.000 0.906 458 D HN 0.245 nan 8.370 nan 0.000 0.528 459 L N 0.965 122.303 121.223 0.192 0.000 1.997 459 L HA -0.204 4.136 4.340 -0.000 0.000 0.216 459 L C -0.416 176.567 176.870 0.188 0.000 1.074 459 L CA 1.738 56.708 54.840 0.216 0.000 0.763 459 L CB -1.540 40.716 42.059 0.329 0.000 0.890 459 L HN 0.075 nan 8.230 nan 0.000 0.434 460 P HA -0.225 nan 4.420 nan 0.000 0.215 460 P C 1.428 178.777 177.300 0.081 0.000 1.157 460 P CA 1.508 64.651 63.100 0.071 0.000 0.874 460 P CB -0.070 31.514 31.700 -0.194 0.000 0.790 461 Q N -0.820 118.975 119.800 -0.010 0.000 2.050 461 Q HA -0.128 4.211 4.340 -0.000 0.000 0.202 461 Q C 2.236 178.231 176.000 -0.009 0.000 0.980 461 Q CA 1.264 57.047 55.803 -0.033 0.000 0.840 461 Q CB -0.893 27.815 28.738 -0.051 0.000 0.898 461 Q HN 0.280 nan 8.270 nan 0.000 0.424 462 I N 0.897 121.474 120.570 0.013 0.000 2.179 462 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 462 I C 2.344 178.478 176.117 0.028 0.000 1.088 462 I CA 1.260 62.547 61.300 -0.021 0.000 1.357 462 I CB -0.295 37.738 38.000 0.055 0.000 1.051 462 I HN 0.192 nan 8.210 nan 0.000 0.409 463 I N 0.461 121.106 120.570 0.124 0.000 2.226 463 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 463 I C 2.631 178.774 176.117 0.044 0.000 1.100 463 I CA 1.460 62.845 61.300 0.141 0.000 1.374 463 I CB -0.416 37.661 38.000 0.128 0.000 1.057 463 I HN 0.318 nan 8.210 nan 0.000 0.413 464 E N 1.148 121.409 120.200 0.102 0.000 2.077 464 E HA -0.292 4.058 4.350 -0.000 0.000 0.193 464 E C 2.309 178.905 176.600 -0.008 0.000 0.989 464 E CA 1.150 57.593 56.400 0.073 0.000 0.800 464 E CB 0.054 29.849 29.700 0.159 0.000 0.746 464 E HN 0.150 nan 8.360 nan 0.000 0.452 465 R N 0.535 121.012 120.500 -0.039 0.000 2.081 465 R HA -0.073 4.266 4.340 -0.000 0.000 0.235 465 R C 2.250 178.475 176.300 -0.126 0.000 1.131 465 R CA 1.448 57.494 56.100 -0.089 0.000 0.960 465 R CB -0.418 29.801 30.300 -0.135 0.000 0.856 465 R HN 0.274 nan 8.270 nan 0.000 0.436 466 L N -1.407 119.717 121.223 -0.164 0.000 2.127 466 L HA -0.033 4.307 4.340 -0.000 0.000 0.203 466 L C 1.696 178.295 176.870 -0.452 0.000 1.080 466 L CA 0.990 55.634 54.840 -0.327 0.000 0.768 466 L CB -0.379 41.435 42.059 -0.408 0.000 0.924 466 L HN 0.352 nan 8.230 nan 0.000 0.444 467 H N -0.478 118.516 119.070 -0.126 0.000 2.652 467 H HA 0.292 4.848 4.556 -0.000 0.000 0.274 467 H C 0.937 176.182 175.328 -0.138 0.000 1.021 467 H CA 0.637 56.600 56.048 -0.142 0.000 1.187 467 H CB 0.675 30.326 29.762 -0.185 0.000 1.505 467 H HN 0.319 nan 8.280 nan 0.000 0.530 468 G N 1.181 109.963 108.800 -0.030 0.000 2.846 468 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.660 468 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.660 468 G C 0.749 175.612 174.900 -0.061 0.000 1.464 468 G CA -0.159 44.926 45.100 -0.025 0.000 0.891 468 G HN 0.283 nan 8.290 nan 0.000 0.552 469 L N 1.058 122.303 121.223 0.037 0.000 2.265 469 L HA -0.099 4.241 4.340 -0.000 0.000 0.215 469 L C 3.153 180.058 176.870 0.058 0.000 1.117 469 L CA 2.041 56.972 54.840 0.152 0.000 0.782 469 L CB -0.464 41.734 42.059 0.233 0.000 0.914 469 L HN 0.906 nan 8.230 nan 0.000 0.441 470 S N -0.110 115.576 115.700 -0.023 0.000 2.442 470 S HA -0.145 4.325 4.470 -0.000 0.000 0.236 470 S C 2.108 176.620 174.600 -0.147 0.000 1.007 470 S CA 0.744 58.917 58.200 -0.046 0.000 0.965 470 S CB -0.286 62.884 63.200 -0.051 0.000 0.773 470 S HN 0.368 nan 8.310 nan 0.000 0.504 471 A N 0.911 123.539 122.820 -0.319 0.000 2.019 471 A HA 0.162 4.481 4.320 -0.000 0.000 0.219 471 A C 1.626 178.975 177.584 -0.392 0.000 1.164 471 A CA 0.977 52.734 52.037 -0.466 0.000 0.644 471 A CB -0.904 17.701 19.000 -0.659 0.000 0.805 471 A HN 0.676 nan 8.150 nan 0.000 0.449 472 F N -0.998 118.973 119.950 0.036 0.000 2.765 472 F HA 0.141 4.668 4.527 -0.000 0.000 0.302 472 F C 1.715 177.571 175.800 0.093 0.000 1.111 472 F CA 0.513 58.563 58.000 0.084 0.000 1.359 472 F CB 0.484 39.569 39.000 0.143 0.000 1.097 472 F HN 0.083 nan 8.300 nan 0.000 0.577 473 S N -0.308 115.499 115.700 0.178 0.000 2.733 473 S HA 0.286 4.756 4.470 -0.000 0.000 0.247 473 S C 0.504 175.186 174.600 0.137 0.000 1.043 473 S CA -0.348 57.950 58.200 0.163 0.000 1.066 473 S CB 0.302 63.588 63.200 0.144 0.000 1.045 473 S HN 0.027 nan 8.310 nan 0.000 0.586 474 L N 3.640 124.855 121.223 -0.013 0.000 2.525 474 L HA 0.202 4.542 4.340 -0.000 0.000 0.278 474 L C 0.481 177.251 176.870 -0.168 0.000 1.218 474 L CA 0.570 55.283 54.840 -0.212 0.000 0.878 474 L CB -0.075 41.720 42.059 -0.439 0.000 1.127 474 L HN 0.550 nan 8.230 nan 0.000 0.492 475 H N -0.691 118.148 119.070 -0.386 0.000 2.918 475 H HA 0.302 4.858 4.556 -0.000 0.000 0.303 475 H C -0.059 175.095 175.328 -0.290 0.000 1.380 475 H CA -0.537 55.358 56.048 -0.255 0.000 1.134 475 H CB 1.127 30.869 29.762 -0.032 0.000 1.842 475 H HN 0.403 nan 8.280 nan 0.000 0.533 476 S N -0.069 115.580 115.700 -0.085 0.000 3.697 476 S HA -0.222 4.248 4.470 -0.000 0.000 0.388 476 S C -0.857 173.707 174.600 -0.060 0.000 0.941 476 S CA 0.197 58.369 58.200 -0.046 0.000 1.247 476 S CB -2.078 61.034 63.200 -0.147 0.000 0.904 476 S HN 0.574 nan 8.310 nan 0.000 0.518 477 Y N 2.201 122.526 120.300 0.041 0.000 2.357 477 Y HA 0.359 4.909 4.550 -0.000 0.000 0.340 477 Y C 1.359 177.304 175.900 0.075 0.000 1.260 477 Y CA 0.523 58.657 58.100 0.058 0.000 1.425 477 Y CB 0.462 38.953 38.460 0.052 0.000 1.326 477 Y HN 0.606 nan 8.280 nan 0.000 0.580 478 S N 1.649 117.499 115.700 0.250 0.000 2.573 478 S HA 0.085 4.555 4.470 -0.000 0.000 0.277 478 S C -2.000 172.678 174.600 0.131 0.000 1.346 478 S CA -1.035 57.254 58.200 0.148 0.000 1.034 478 S CB 1.101 64.365 63.200 0.106 0.000 0.879 478 S HN 0.450 nan 8.310 nan 0.000 0.528 479 P HA 0.027 nan 4.420 nan 0.000 0.215 479 P C 1.761 179.096 177.300 0.059 0.000 1.153 479 P CA 1.595 64.737 63.100 0.071 0.000 0.853 479 P CB -0.461 31.271 31.700 0.054 0.000 0.788 480 G N 0.084 108.914 108.800 0.051 0.000 2.459 480 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.217 480 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.217 480 G C 1.668 176.590 174.900 0.038 0.000 1.183 480 G CA 1.071 46.191 45.100 0.034 0.000 0.776 480 G HN 0.250 nan 8.290 nan 0.000 0.552 481 E N 0.694 120.933 120.200 0.065 0.000 2.058 481 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 481 E C 2.452 179.085 176.600 0.056 0.000 0.997 481 E CA 0.992 57.439 56.400 0.079 0.000 0.801 481 E CB -0.459 29.340 29.700 0.165 0.000 0.746 481 E HN 0.508 nan 8.360 nan 0.000 0.450 482 I N 0.801 121.414 120.570 0.071 0.000 2.208 482 I HA -0.318 3.852 4.170 -0.000 0.000 0.245 482 I C 1.979 178.114 176.117 0.029 0.000 1.097 482 I CA 1.240 62.569 61.300 0.048 0.000 1.363 482 I CB -0.425 37.621 38.000 0.076 0.000 1.051 482 I HN 0.198 nan 8.210 nan 0.000 0.413 483 N N 0.548 119.266 118.700 0.029 0.000 2.188 483 N HA -0.179 4.561 4.740 -0.000 0.000 0.184 483 N C 1.902 177.412 175.510 -0.001 0.000 1.018 483 N CA 1.026 54.087 53.050 0.017 0.000 0.858 483 N CB -0.363 38.135 38.487 0.019 0.000 0.989 483 N HN 0.356 nan 8.380 nan 0.000 0.426 484 R N 0.995 121.489 120.500 -0.011 0.000 2.073 484 R HA -0.046 4.293 4.340 -0.000 0.000 0.234 484 R C 1.975 178.235 176.300 -0.065 0.000 1.134 484 R CA 1.030 57.105 56.100 -0.042 0.000 0.952 484 R CB -0.178 30.089 30.300 -0.054 0.000 0.850 484 R HN -0.062 nan 8.270 nan 0.000 0.433 485 V N 1.142 121.022 119.914 -0.056 0.000 2.255 485 V HA -0.260 3.859 4.120 -0.000 0.000 0.247 485 V C 2.512 178.584 176.094 -0.037 0.000 1.051 485 V CA 2.018 64.277 62.300 -0.069 0.000 1.018 485 V CB -0.929 30.880 31.823 -0.023 0.000 0.641 485 V HN 0.580 nan 8.190 nan 0.000 0.445 486 A N -0.400 122.417 122.820 -0.006 0.000 1.892 486 A HA -0.296 4.024 4.320 -0.000 0.000 0.218 486 A C 2.589 180.178 177.584 0.009 0.000 1.188 486 A CA 2.598 54.644 52.037 0.015 0.000 0.631 486 A CB -0.982 18.033 19.000 0.026 0.000 0.822 486 A HN 0.523 nan 8.150 nan 0.000 0.447 487 S N -1.278 114.420 115.700 -0.003 0.000 2.368 487 S HA -0.225 4.245 4.470 -0.000 0.000 0.225 487 S C 2.107 176.702 174.600 -0.009 0.000 1.030 487 S CA 1.706 59.905 58.200 -0.002 0.000 0.999 487 S CB -1.049 62.145 63.200 -0.010 0.000 0.844 487 S HN 0.803 nan 8.310 nan 0.000 0.459 488 C N 1.513 120.790 119.300 -0.038 0.000 2.429 488 C HA 0.025 4.485 4.460 -0.000 0.000 0.277 488 C C 2.535 177.510 174.990 -0.025 0.000 1.262 488 C CA 1.020 60.006 59.018 -0.054 0.000 1.733 488 C CB -1.768 25.897 27.740 -0.126 0.000 2.010 488 C HN 0.700 nan 8.230 nan 0.000 0.483 489 L N 0.497 121.712 121.223 -0.014 0.000 2.046 489 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 489 L C 3.026 179.907 176.870 0.018 0.000 1.077 489 L CA 1.838 56.687 54.840 0.015 0.000 0.747 489 L CB -0.889 41.202 42.059 0.053 0.000 0.896 489 L HN 0.390 nan 8.230 nan 0.000 0.432 490 R N 0.449 120.968 120.500 0.032 0.000 2.081 490 R HA -0.189 4.151 4.340 -0.000 0.000 0.235 490 R C 2.340 178.698 176.300 0.098 0.000 1.131 490 R CA 1.429 57.560 56.100 0.052 0.000 0.960 490 R CB -0.367 29.964 30.300 0.052 0.000 0.856 490 R HN 0.321 nan 8.270 nan 0.000 0.436 491 K N 1.362 121.815 120.400 0.088 0.000 2.032 491 K HA -0.123 4.197 4.320 -0.000 0.000 0.209 491 K C 1.901 178.648 176.600 0.243 0.000 1.048 491 K CA 1.314 57.683 56.287 0.136 0.000 0.927 491 K CB -0.028 32.514 32.500 0.070 0.000 0.712 491 K HN 0.152 nan 8.250 nan 0.000 0.441 492 L N -0.214 121.070 121.223 0.102 0.000 2.492 492 L HA 0.096 4.436 4.340 -0.000 0.000 0.223 492 L C 1.028 177.728 176.870 -0.283 0.000 1.132 492 L CA 0.549 55.420 54.840 0.052 0.000 0.850 492 L CB -0.080 41.987 42.059 0.014 0.000 0.966 492 L HN 0.645 nan 8.230 nan 0.000 0.454 493 G N 0.779 109.295 108.800 -0.474 0.000 2.198 493 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.257 493 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.257 493 G C 0.046 174.811 174.900 -0.225 0.000 1.042 493 G CA 0.038 44.742 45.100 -0.659 0.000 0.791 493 G HN 0.108 nan 8.290 nan 0.000 0.502 494 V N 1.023 120.897 119.914 -0.066 0.000 2.546 494 V HA 0.382 4.502 4.120 -0.000 0.000 0.284 494 V C -1.137 175.048 176.094 0.153 0.000 1.050 494 V CA -1.432 60.923 62.300 0.091 0.000 0.981 494 V CB 1.431 33.332 31.823 0.130 0.000 0.990 494 V HN 0.163 nan 8.190 nan 0.000 0.474 495 P HA 0.090 nan 4.420 nan 0.000 0.266 495 P C -2.429 175.000 177.300 0.215 0.000 1.193 495 P CA -0.654 62.474 63.100 0.047 0.000 0.770 495 P CB -0.167 31.358 31.700 -0.292 0.000 0.836 496 P HA 0.023 nan 4.420 nan 0.000 0.269 496 P C 0.888 178.374 177.300 0.310 0.000 1.215 496 P CA 0.113 63.319 63.100 0.176 0.000 0.780 496 P CB 0.719 32.472 31.700 0.088 0.000 0.898 497 L N 1.397 122.811 121.223 0.318 0.000 2.129 497 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 497 L C 2.846 179.915 176.870 0.332 0.000 1.087 497 L CA 1.875 56.934 54.840 0.365 0.000 0.757 497 L CB -0.871 41.303 42.059 0.192 0.000 0.896 497 L HN 0.475 nan 8.230 nan 0.000 0.434 498 R N 0.562 121.190 120.500 0.214 0.000 2.096 498 R HA -0.101 4.239 4.340 -0.000 0.000 0.235 498 R C 2.268 178.658 176.300 0.151 0.000 1.127 498 R CA 1.272 57.477 56.100 0.174 0.000 0.968 498 R CB -0.748 29.616 30.300 0.107 0.000 0.861 498 R HN 0.263 nan 8.270 nan 0.000 0.440 499 A N 1.112 123.973 122.820 0.068 0.000 1.930 499 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 499 A C 1.690 179.238 177.584 -0.061 0.000 1.175 499 A CA 0.818 52.814 52.037 -0.069 0.000 0.627 499 A CB -0.840 18.015 19.000 -0.242 0.000 0.815 499 A HN 0.534 nan 8.150 nan 0.000 0.443 500 W N -0.224 121.183 121.300 0.179 0.000 2.402 500 W HA -0.022 4.637 4.660 -0.000 0.000 0.286 500 W C 2.477 179.193 176.519 0.329 0.000 1.221 500 W CA 1.187 58.674 57.345 0.237 0.000 1.257 500 W CB -0.059 29.542 29.460 0.234 0.000 1.120 500 W HN 0.289 nan 8.180 nan 0.000 0.551 501 R N -0.107 120.708 120.500 0.526 0.000 2.073 501 R HA -0.235 4.105 4.340 -0.000 0.000 0.234 501 R C 2.095 178.514 176.300 0.197 0.000 1.134 501 R CA 2.156 58.520 56.100 0.440 0.000 0.952 501 R CB -0.766 29.765 30.300 0.386 0.000 0.850 501 R HN 0.245 nan 8.270 nan 0.000 0.433 502 H N 0.340 119.463 119.070 0.087 0.000 2.352 502 H HA -0.058 4.498 4.556 -0.000 0.000 0.299 502 H C 2.038 177.353 175.328 -0.023 0.000 1.097 502 H CA 2.206 58.256 56.048 0.004 0.000 1.311 502 H CB 0.115 29.864 29.762 -0.020 0.000 1.377 502 H HN 0.164 nan 8.280 nan 0.000 0.504 503 R N -0.218 120.280 120.500 -0.002 0.000 2.075 503 R HA -0.036 4.304 4.340 -0.000 0.000 0.232 503 R C 2.595 178.835 176.300 -0.101 0.000 1.126 503 R CA 0.994 57.058 56.100 -0.060 0.000 0.963 503 R CB -0.342 29.981 30.300 0.038 0.000 0.858 503 R HN 0.394 nan 8.270 nan 0.000 0.435 504 A N 1.395 124.208 122.820 -0.011 0.000 1.933 504 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 504 A C 2.093 179.415 177.584 -0.437 0.000 1.175 504 A CA 1.210 53.115 52.037 -0.220 0.000 0.628 504 A CB -0.343 18.630 19.000 -0.046 0.000 0.814 504 A HN 0.224 nan 8.150 nan 0.000 0.444 505 R N -0.652 119.652 120.500 -0.326 0.000 2.081 505 R HA -0.163 4.176 4.340 -0.000 0.000 0.235 505 R C 2.221 178.336 176.300 -0.309 0.000 1.131 505 R CA 1.630 57.543 56.100 -0.312 0.000 0.960 505 R CB -0.435 29.718 30.300 -0.244 0.000 0.856 505 R HN 0.767 nan 8.270 nan 0.000 0.436 506 N N 0.247 118.753 118.700 -0.323 0.000 2.106 506 N HA -0.133 4.607 4.740 -0.000 0.000 0.188 506 N C 1.585 176.944 175.510 -0.253 0.000 1.029 506 N CA 1.096 53.985 53.050 -0.268 0.000 0.848 506 N CB 0.054 38.381 38.487 -0.267 0.000 1.007 506 N HN -0.070 nan 8.380 nan 0.000 0.423 507 V N 0.944 120.666 119.914 -0.319 0.000 2.343 507 V HA -0.183 3.936 4.120 -0.000 0.000 0.247 507 V C 2.560 178.395 176.094 -0.432 0.000 1.051 507 V CA 1.839 63.927 62.300 -0.354 0.000 1.036 507 V CB -0.737 30.815 31.823 -0.452 0.000 0.654 507 V HN 0.397 nan 8.190 nan 0.000 0.451 508 R N 0.361 120.517 120.500 -0.574 0.000 2.083 508 R HA -0.201 4.139 4.340 -0.000 0.000 0.237 508 R C 2.316 178.490 176.300 -0.210 0.000 1.137 508 R CA 1.903 57.762 56.100 -0.402 0.000 0.951 508 R CB -0.518 29.576 30.300 -0.343 0.000 0.851 508 R HN 0.466 nan 8.270 nan 0.000 0.434 509 A N 1.151 123.855 122.820 -0.194 0.000 1.908 509 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 509 A C 2.209 179.735 177.584 -0.098 0.000 1.181 509 A CA 1.686 53.645 52.037 -0.129 0.000 0.627 509 A CB -0.482 18.444 19.000 -0.124 0.000 0.818 509 A HN 0.417 nan 8.150 nan 0.000 0.445 510 R N -0.559 119.878 120.500 -0.105 0.000 2.096 510 R HA -0.017 4.323 4.340 -0.000 0.000 0.235 510 R C 1.987 178.266 176.300 -0.035 0.000 1.127 510 R CA 1.410 57.472 56.100 -0.063 0.000 0.968 510 R CB -0.473 29.791 30.300 -0.060 0.000 0.861 510 R HN 0.510 nan 8.270 nan 0.000 0.440 511 L N 0.305 121.502 121.223 -0.044 0.000 2.109 511 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 511 L C 2.221 179.089 176.870 -0.003 0.000 1.086 511 L CA 0.933 55.772 54.840 -0.001 0.000 0.760 511 L CB -0.299 41.757 42.059 -0.004 0.000 0.910 511 L HN 0.191 nan 8.230 nan 0.000 0.437 512 L N -0.389 120.817 121.223 -0.029 0.000 2.141 512 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 512 L C 2.666 179.526 176.870 -0.017 0.000 1.094 512 L CA 1.406 56.231 54.840 -0.025 0.000 0.763 512 L CB -0.496 41.535 42.059 -0.046 0.000 0.908 512 L HN 0.378 nan 8.230 nan 0.000 0.437 513 S N -0.962 114.726 115.700 -0.020 0.000 2.607 513 S HA 0.020 4.490 4.470 -0.000 0.000 0.224 513 S C 1.023 175.623 174.600 -0.001 0.000 0.969 513 S CA -0.080 58.111 58.200 -0.014 0.000 0.927 513 S CB -0.035 63.153 63.200 -0.020 0.000 0.772 513 S HN 0.312 nan 8.310 nan 0.000 0.533 514 R N -0.185 120.320 120.500 0.009 0.000 2.810 514 R HA 0.661 5.000 4.340 -0.000 0.000 0.245 514 R C 0.468 176.783 176.300 0.026 0.000 1.168 514 R CA -0.381 55.733 56.100 0.022 0.000 1.096 514 R CB 0.750 31.073 30.300 0.038 0.000 1.259 514 R HN 0.297 nan 8.270 nan 0.000 0.518 515 G N -0.939 107.881 108.800 0.032 0.000 2.425 515 G HA2 0.448 4.408 3.960 -0.000 0.000 0.302 515 G HA3 0.448 4.408 3.960 -0.000 0.000 0.302 515 G C 0.314 175.237 174.900 0.038 0.000 1.159 515 G CA 0.111 45.229 45.100 0.030 0.000 0.865 515 G HN 0.723 nan 8.290 nan 0.000 0.515 516 G N 1.627 110.446 108.800 0.033 0.000 2.622 516 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.307 516 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.307 516 G C 1.484 176.410 174.900 0.042 0.000 1.226 516 G CA 0.819 45.940 45.100 0.035 0.000 0.997 516 G HN 0.853 nan 8.290 nan 0.000 0.551 517 R N 0.995 121.525 120.500 0.050 0.000 2.159 517 R HA 0.077 4.417 4.340 -0.000 0.000 0.237 517 R C 3.019 179.367 176.300 0.079 0.000 1.131 517 R CA 1.811 57.946 56.100 0.059 0.000 0.982 517 R CB -0.570 29.772 30.300 0.071 0.000 0.868 517 R HN 0.681 nan 8.270 nan 0.000 0.453 518 A N 1.785 124.658 122.820 0.089 0.000 1.933 518 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 518 A C 2.442 180.062 177.584 0.060 0.000 1.175 518 A CA 1.609 53.706 52.037 0.101 0.000 0.628 518 A CB -0.465 18.596 19.000 0.101 0.000 0.814 518 A HN 0.386 nan 8.150 nan 0.000 0.444 519 A N -0.174 122.673 122.820 0.046 0.000 1.929 519 A HA 0.025 4.345 4.320 -0.000 0.000 0.216 519 A C 1.964 179.574 177.584 0.043 0.000 1.176 519 A CA 1.366 53.420 52.037 0.030 0.000 0.628 519 A CB -0.404 18.610 19.000 0.022 0.000 0.816 519 A HN 0.402 nan 8.150 nan 0.000 0.444 520 I N -0.125 120.484 120.570 0.065 0.000 2.286 520 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 520 I C 2.498 178.678 176.117 0.105 0.000 1.115 520 I CA 0.988 62.361 61.300 0.122 0.000 1.392 520 I CB -1.661 36.364 38.000 0.042 0.000 1.065 520 I HN 0.351 nan 8.210 nan 0.000 0.418 521 C N 0.970 120.285 119.300 0.025 0.000 2.446 521 C HA -0.048 4.412 4.460 -0.000 0.000 0.277 521 C C 3.054 178.023 174.990 -0.036 0.000 1.275 521 C CA 0.975 59.952 59.018 -0.070 0.000 1.727 521 C CB -1.612 26.038 27.740 -0.150 0.000 2.010 521 C HN 0.629 nan 8.230 nan 0.000 0.486 522 G N 0.194 109.016 108.800 0.036 0.000 2.418 522 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.217 522 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.217 522 G C 1.637 176.571 174.900 0.056 0.000 1.158 522 G CA 1.138 46.305 45.100 0.112 0.000 0.771 522 G HN 0.633 nan 8.290 nan 0.000 0.545 523 K N -0.788 119.593 120.400 -0.032 0.000 2.001 523 K HA -0.075 4.245 4.320 -0.000 0.000 0.208 523 K C 2.260 178.673 176.600 -0.312 0.000 1.048 523 K CA 1.183 57.366 56.287 -0.173 0.000 0.932 523 K CB -0.303 32.063 32.500 -0.223 0.000 0.715 523 K HN 0.387 nan 8.250 nan 0.000 0.437 524 Y N 0.968 121.087 120.300 -0.303 0.000 2.206 524 Y HA -0.051 4.499 4.550 -0.000 0.000 0.292 524 Y C 2.088 177.730 175.900 -0.431 0.000 1.123 524 Y CA 1.004 58.757 58.100 -0.578 0.000 1.142 524 Y CB -0.147 37.673 38.460 -1.067 0.000 1.006 524 Y HN -0.028 nan 8.280 nan 0.000 0.518 525 L N -1.765 119.326 121.223 -0.220 0.000 2.201 525 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 525 L C 0.709 177.297 176.870 -0.469 0.000 1.105 525 L CA 1.279 55.922 54.840 -0.328 0.000 0.775 525 L CB -0.390 41.219 42.059 -0.749 0.000 0.913 525 L HN 0.177 nan 8.230 nan 0.000 0.440 526 F N -1.613 118.297 119.950 -0.066 0.000 2.735 526 F HA 0.198 4.725 4.527 -0.000 0.000 0.304 526 F C 1.554 177.044 175.800 -0.517 0.000 1.119 526 F CA -0.378 57.365 58.000 -0.428 0.000 1.280 526 F CB -0.341 38.412 39.000 -0.411 0.000 0.994 526 F HN -0.085 nan 8.300 nan 0.000 0.520 527 N N 1.219 119.842 118.700 -0.129 0.000 2.309 527 N HA -0.180 4.560 4.740 -0.000 0.000 0.182 527 N C 1.930 177.414 175.510 -0.043 0.000 1.018 527 N CA 1.455 54.446 53.050 -0.097 0.000 0.876 527 N CB -0.153 38.298 38.487 -0.061 0.000 0.972 527 N HN 0.553 nan 8.380 nan 0.000 0.434 528 W N -0.410 120.939 121.300 0.081 0.000 2.465 528 W HA 0.146 4.806 4.660 -0.000 0.000 0.268 528 W C 1.199 177.782 176.519 0.106 0.000 1.242 528 W CA 0.649 58.050 57.345 0.094 0.000 1.248 528 W CB -0.826 28.704 29.460 0.117 0.000 1.118 528 W HN 0.043 nan 8.180 nan 0.000 0.587 529 A N 1.426 123.856 122.820 -0.649 0.000 2.208 529 A HA 0.245 4.565 4.320 -0.000 0.000 0.209 529 A C 0.851 178.301 177.584 -0.223 0.000 1.161 529 A CA 1.056 52.733 52.037 -0.601 0.000 0.782 529 A CB -0.769 17.608 19.000 -1.038 0.000 0.816 529 A HN 0.164 nan 8.150 nan 0.000 0.477 530 V N -4.087 115.737 119.914 -0.150 0.000 2.680 530 V HA 0.466 4.586 4.120 -0.000 0.000 0.309 530 V C 0.534 176.604 176.094 -0.039 0.000 1.052 530 V CA -0.938 61.309 62.300 -0.089 0.000 0.908 530 V CB 1.658 33.416 31.823 -0.108 0.000 1.001 530 V HN 0.256 nan 8.190 nan 0.000 0.431 531 K N 1.238 121.623 120.400 -0.025 0.000 2.031 531 K HA 0.035 4.355 4.320 -0.000 0.000 0.205 531 K C 0.711 177.294 176.600 -0.028 0.000 1.049 531 K CA 1.492 57.770 56.287 -0.015 0.000 0.939 531 K CB -0.132 32.363 32.500 -0.008 0.000 0.717 531 K HN 0.785 nan 8.250 nan 0.000 0.438 532 T N 3.389 117.921 114.554 -0.037 0.000 2.987 532 T HA 0.122 4.472 4.350 -0.000 0.000 0.288 532 T C -0.380 174.288 174.700 -0.054 0.000 0.981 532 T CA 0.026 62.101 62.100 -0.041 0.000 1.031 532 T CB 0.146 68.989 68.868 -0.041 0.000 0.976 532 T HN 0.047 nan 8.240 nan 0.000 0.612 533 K N 3.081 123.450 120.400 -0.051 0.000 2.270 533 K HA 0.387 4.707 4.320 -0.000 0.000 0.276 533 K C 0.207 176.761 176.600 -0.076 0.000 1.023 533 K CA -0.520 55.729 56.287 -0.063 0.000 0.955 533 K CB 1.113 33.584 32.500 -0.047 0.000 0.975 533 K HN 0.421 nan 8.250 nan 0.000 0.471 534 L N 1.873 123.032 121.223 -0.107 0.000 2.468 534 L HA 0.233 4.573 4.340 -0.000 0.000 0.254 534 L C 0.547 177.337 176.870 -0.133 0.000 1.171 534 L CA -0.516 54.249 54.840 -0.125 0.000 0.809 534 L CB 0.381 42.338 42.059 -0.170 0.000 1.155 534 L HN 0.508 nan 8.230 nan 0.000 0.473 535 K N 1.867 122.195 120.400 -0.121 0.000 2.284 535 K HA 0.309 4.629 4.320 -0.000 0.000 0.287 535 K C -0.847 175.665 176.600 -0.145 0.000 1.081 535 K CA -0.344 55.886 56.287 -0.095 0.000 0.910 535 K CB 0.327 32.796 32.500 -0.052 0.000 1.088 535 K HN 0.450 nan 8.250 nan 0.000 0.478 536 L N 6.068 127.211 121.223 -0.132 0.000 2.358 536 L HA 0.139 4.479 4.340 -0.000 0.000 0.274 536 L C 0.567 177.507 176.870 0.116 0.000 1.136 536 L CA -0.636 54.119 54.840 -0.141 0.000 0.970 536 L CB -0.095 41.901 42.059 -0.106 0.000 1.314 536 L HN 0.729 nan 8.230 nan 0.000 0.427 537 T N -0.135 114.504 114.554 0.143 0.000 2.874 537 T HA 0.408 4.758 4.350 -0.000 0.000 0.281 537 T C -2.413 172.415 174.700 0.213 0.000 0.994 537 T CA -2.020 60.171 62.100 0.152 0.000 1.015 537 T CB 0.934 69.860 68.868 0.097 0.000 1.028 537 T HN 0.122 nan 8.240 nan 0.000 0.523 538 P HA 0.140 nan 4.420 nan 0.000 0.262 538 P C -0.230 177.090 177.300 0.032 0.000 1.182 538 P CA -0.006 63.142 63.100 0.081 0.000 0.761 538 P CB 0.055 31.785 31.700 0.050 0.000 0.795 539 I N 2.369 122.897 120.570 -0.071 0.000 2.587 539 I HA 0.058 4.228 4.170 -0.000 0.000 0.284 539 I C 1.261 177.335 176.117 -0.071 0.000 1.134 539 I CA -0.133 61.076 61.300 -0.152 0.000 1.410 539 I CB 0.219 38.020 38.000 -0.331 0.000 1.392 539 I HN 0.403 nan 8.210 nan 0.000 0.545 547 L N 1.764 122.722 121.223 -0.441 0.000 2.728 547 L HA 0.143 4.483 4.340 -0.000 0.000 0.235 547 L C 2.108 178.721 176.870 -0.428 0.000 1.197 547 L CA 0.102 54.444 54.840 -0.829 0.000 0.992 547 L CB -0.196 41.146 42.059 -1.195 0.000 1.263 547 L HN 0.264 nan 8.230 nan 0.000 0.484 548 S N -0.699 114.898 115.700 -0.173 0.000 2.382 548 S HA -0.199 4.271 4.470 -0.000 0.000 0.228 548 S C 2.189 176.828 174.600 0.065 0.000 1.027 548 S CA 1.231 59.432 58.200 0.001 0.000 0.991 548 S CB -0.468 62.735 63.200 0.005 0.000 0.823 548 S HN 0.581 nan 8.310 nan 0.000 0.469 549 S N -0.015 115.715 115.700 0.050 0.000 2.469 549 S HA -0.064 4.406 4.470 -0.000 0.000 0.238 549 S C 1.344 176.110 174.600 0.277 0.000 0.998 549 S CA 0.637 58.933 58.200 0.159 0.000 0.957 549 S CB -0.889 62.388 63.200 0.128 0.000 0.764 549 S HN 0.698 nan 8.310 nan 0.000 0.514 550 W N 1.412 122.541 121.300 -0.285 0.000 2.436 550 W HA 0.294 4.954 4.660 -0.000 0.000 0.284 550 W C 0.333 176.355 176.519 -0.829 0.000 1.225 550 W CA -0.441 56.463 57.345 -0.735 0.000 1.271 550 W CB -0.806 27.830 29.460 -1.374 0.000 1.114 550 W HN 0.292 nan 8.180 nan 0.000 0.559 551 F N -0.272 119.833 119.950 0.257 0.000 2.471 551 F HA 0.296 4.823 4.527 -0.000 0.000 0.318 551 F C 0.901 176.865 175.800 0.272 0.000 1.308 551 F CA -0.143 58.023 58.000 0.276 0.000 1.162 551 F CB 0.305 39.401 39.000 0.160 0.000 1.383 551 F HN -0.384 nan 8.300 nan 0.000 0.552 552 T N -0.353 114.439 114.554 0.396 0.000 3.098 552 T HA 0.566 4.916 4.350 -0.000 0.000 0.246 552 T C 0.582 175.455 174.700 0.288 0.000 0.983 552 T CA 0.390 62.660 62.100 0.283 0.000 1.094 552 T CB 0.519 69.524 68.868 0.229 0.000 1.035 552 T HN 0.302 nan 8.240 nan 0.000 0.456 553 A N 0.357 123.310 122.820 0.222 0.000 2.593 553 A HA 0.781 5.101 4.320 -0.000 0.000 0.290 553 A C -0.296 176.960 177.584 -0.546 0.000 1.126 553 A CA -0.412 51.598 52.037 -0.046 0.000 0.695 553 A CB 0.942 19.773 19.000 -0.281 0.000 1.290 553 A HN 0.338 nan 8.150 nan 0.000 0.414 554 G N -1.438 106.703 108.800 -1.098 0.000 2.400 554 G HA2 0.535 4.495 3.960 -0.000 0.000 0.301 554 G HA3 0.535 4.495 3.960 -0.000 0.000 0.301 554 G C -0.800 173.397 174.900 -1.173 0.000 1.154 554 G CA -0.072 44.034 45.100 -1.657 0.000 0.852 554 G HN 0.633 nan 8.290 nan 0.000 0.511 555 Y N 0.144 120.216 120.300 -0.380 0.000 2.830 555 Y HA 0.228 4.778 4.550 -0.000 0.000 0.255 555 Y C 1.244 177.065 175.900 -0.132 0.000 1.130 555 Y CA -0.648 57.335 58.100 -0.194 0.000 1.217 555 Y CB 0.475 38.848 38.460 -0.145 0.000 1.296 555 Y HN 0.390 nan 8.280 nan 0.000 0.571 556 S N 1.095 116.772 115.700 -0.039 0.000 2.626 556 S HA 0.219 4.689 4.470 -0.000 0.000 0.303 556 S C 1.380 176.004 174.600 0.040 0.000 1.256 556 S CA 1.294 59.503 58.200 0.016 0.000 1.069 556 S CB 0.151 63.369 63.200 0.029 0.000 0.807 556 S HN 0.913 nan 8.310 nan 0.000 0.500 557 G N 2.913 111.738 108.800 0.042 0.000 2.175 557 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.265 557 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.265 557 G C 0.729 175.664 174.900 0.058 0.000 0.979 557 G CA 0.269 45.398 45.100 0.049 0.000 0.663 557 G HN 1.092 nan 8.290 nan 0.000 0.533 558 G N -0.364 108.474 108.800 0.064 0.000 3.141 558 G HA2 0.384 4.343 3.960 -0.000 0.000 0.218 558 G HA3 0.384 4.343 3.960 -0.000 0.000 0.218 558 G C 0.510 175.436 174.900 0.045 0.000 1.170 558 G CA 1.075 46.228 45.100 0.089 0.000 0.769 558 G HN 1.050 nan 8.290 nan 0.000 0.546 559 D N -0.340 120.055 120.400 -0.009 0.000 2.689 559 D HA -0.166 4.474 4.640 -0.000 0.000 0.237 559 D C -0.050 176.199 176.300 -0.085 0.000 1.148 559 D CA 0.397 54.370 54.000 -0.046 0.000 0.656 559 D CB -1.142 39.647 40.800 -0.019 0.000 1.050 559 D HN 0.124 nan 8.370 nan 0.000 0.426 560 I N 1.284 121.761 120.570 -0.156 0.000 2.377 560 I HA 0.321 4.491 4.170 -0.000 0.000 0.293 560 I C -0.037 175.867 176.117 -0.355 0.000 0.987 560 I CA -0.756 60.354 61.300 -0.318 0.000 1.185 560 I CB 1.157 38.801 38.000 -0.593 0.000 1.341 560 I HN 0.092 nan 8.210 nan 0.000 0.455 561 Y N 6.170 126.193 120.300 -0.461 0.000 2.338 561 Y HA 0.461 5.011 4.550 -0.000 0.000 0.333 561 Y C -0.486 175.200 175.900 -0.357 0.000 0.968 561 Y CA -0.349 57.505 58.100 -0.410 0.000 1.123 561 Y CB 1.104 39.418 38.460 -0.243 0.000 1.165 561 Y HN 0.630 nan 8.280 nan 0.000 0.452 562 H N 0.000 118.519 119.070 -0.918 0.000 2.539 562 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 562 H CA 0.000 55.624 56.048 -0.706 0.000 1.023 562 H CB 0.000 29.349 29.762 -0.689 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496