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 1dj2_1_A DATA FIRST_RESID 15 DATA SEQUENCE IGSLSQVSGV LGCQWGDEGK GKLVDILAQH FDIVARCQGG ANAGHTIYNS DATA SEQUENCE EGKKFALHLV PSGILNEDTT CVIGNGVVVH LPGLFKEIDG LESNGVSCKG DATA SEQUENCE RILVSDRAHL LFDFHQEVDG LRESELAKSF IGTTKRGIGP AYSSKVIRNG DATA SEQUENCE IRVGDLRHMD TLPQKLDLLL SDAAARFQGF KYTPEMLREE VEAYKRYADR DATA SEQUENCE LEPYITDTVH FINDSISQKK KVLVEGGQAT MLDIDFGTYP FVTSSSPSAG DATA SEQUENCE GICTGLGIAP SVVGDLIGVV KAYTTRVGSG PFPTENLGTG GDLLRLAGQE DATA SEQUENCE FGTTTGRPRR CGWLDIVALK FSCQINGFAS LNLTKLDVLS DLNEIQLGVA DATA SEQUENCE YKRSDGTPVK SFPGDLRLLE ELHVEYEVLP GWKSDISSVR NYSDLPKAAQ DATA SEQUENCE QYVERIEELV GVPIHYIGIG PGRDALIYK 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 15 I HA 0.000 nan 4.170 nan 0.000 0.288 15 I C 0.000 176.058 176.117 -0.099 0.000 1.063 15 I CA 0.000 61.343 61.300 0.072 0.000 1.566 15 I CB 0.000 38.044 38.000 0.073 0.000 1.214 16 G N 0.337 109.013 108.800 -0.208 0.000 2.920 16 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.208 16 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.208 16 G C 1.192 176.017 174.900 -0.124 0.000 1.159 16 G CA 0.910 45.879 45.100 -0.218 0.000 0.784 16 G HN 0.327 nan 8.290 nan 0.000 0.535 17 S N -0.277 115.369 115.700 -0.091 0.000 2.558 17 S HA 0.264 4.734 4.470 -0.000 0.000 0.217 17 S C 1.184 175.761 174.600 -0.038 0.000 0.975 17 S CA -0.535 57.623 58.200 -0.069 0.000 0.912 17 S CB -0.276 62.874 63.200 -0.084 0.000 0.776 17 S HN 0.255 nan 8.310 nan 0.000 0.526 18 L N 2.743 123.960 121.223 -0.010 0.000 2.506 18 L HA 0.077 4.417 4.340 -0.000 0.000 0.281 18 L C 1.075 177.969 176.870 0.040 0.000 1.228 18 L CA -0.456 54.422 54.840 0.063 0.000 0.850 18 L CB 0.220 42.387 42.059 0.181 0.000 1.110 18 L HN 0.291 nan 8.230 nan 0.000 0.496 19 S N 1.362 117.112 115.700 0.083 0.000 2.587 19 S HA -0.059 4.411 4.470 -0.000 0.000 0.260 19 S C 0.744 175.395 174.600 0.084 0.000 1.353 19 S CA -0.182 58.057 58.200 0.066 0.000 0.995 19 S CB 0.914 64.156 63.200 0.071 0.000 0.912 19 S HN 0.769 nan 8.310 nan 0.000 0.568 20 Q N -0.200 119.632 119.800 0.053 0.000 2.084 20 Q HA -0.042 4.297 4.340 -0.000 0.000 0.202 20 Q C -0.088 176.004 176.000 0.154 0.000 0.978 20 Q CA 1.274 57.111 55.803 0.056 0.000 0.844 20 Q CB -0.023 28.729 28.738 0.024 0.000 0.898 20 Q HN 0.647 nan 8.270 nan 0.000 0.426 21 V N 1.843 121.838 119.914 0.135 0.000 2.225 21 V HA 0.246 4.366 4.120 -0.000 0.000 0.264 21 V C -0.438 175.733 176.094 0.127 0.000 1.067 21 V CA -0.432 61.950 62.300 0.135 0.000 0.903 21 V CB 0.990 32.853 31.823 0.066 0.000 1.136 21 V HN 0.120 nan 8.190 nan 0.000 0.456 22 S N 1.761 117.578 115.700 0.195 0.000 2.681 22 S HA 0.865 5.335 4.470 -0.000 0.000 0.270 22 S C 0.534 175.117 174.600 -0.028 0.000 1.209 22 S CA -0.034 58.231 58.200 0.108 0.000 0.988 22 S CB 1.731 65.059 63.200 0.213 0.000 1.006 22 S HN 0.915 nan 8.310 nan 0.000 0.558 23 G N -0.760 108.023 108.800 -0.029 0.000 2.698 23 G HA2 0.564 4.524 3.960 -0.000 0.000 0.293 23 G HA3 0.564 4.524 3.960 -0.000 0.000 0.293 23 G C -2.030 172.850 174.900 -0.034 0.000 1.437 23 G CA -0.445 44.625 45.100 -0.050 0.000 0.852 23 G HN 0.598 nan 8.290 nan 0.000 0.499 24 V N 1.252 121.135 119.914 -0.051 0.000 2.482 24 V HA 0.596 4.716 4.120 -0.000 0.000 0.295 24 V C -0.280 175.802 176.094 -0.020 0.000 1.026 24 V CA -0.447 61.815 62.300 -0.062 0.000 0.856 24 V CB 1.107 32.853 31.823 -0.130 0.000 1.001 24 V HN 0.645 nan 8.190 nan 0.000 0.424 25 L N 3.129 124.368 121.223 0.027 0.000 2.301 25 L HA 0.878 5.218 4.340 -0.000 0.000 0.264 25 L C 0.704 177.559 176.870 -0.025 0.000 1.016 25 L CA -0.753 54.126 54.840 0.065 0.000 0.821 25 L CB 2.055 44.254 42.059 0.234 0.000 1.346 25 L HN 0.693 nan 8.230 nan 0.000 0.429 26 G N -0.863 107.924 108.800 -0.022 0.000 2.400 26 G HA2 0.429 4.389 3.960 -0.000 0.000 0.301 26 G HA3 0.429 4.389 3.960 -0.000 0.000 0.301 26 G C 0.262 175.127 174.900 -0.058 0.000 1.154 26 G CA -0.382 44.669 45.100 -0.082 0.000 0.852 26 G HN 0.814 nan 8.290 nan 0.000 0.511 27 C N 0.555 119.781 119.300 -0.125 0.000 2.700 27 C HA 0.214 4.674 4.460 -0.000 0.000 0.297 27 C C 1.764 176.610 174.990 -0.241 0.000 1.293 27 C CA 0.089 59.037 59.018 -0.117 0.000 1.756 27 C CB -0.673 26.986 27.740 -0.134 0.000 2.210 27 C HN 0.790 nan 8.230 nan 0.000 0.553 28 Q N -0.879 118.768 119.800 -0.255 0.000 3.080 28 Q HA 0.194 4.534 4.340 -0.000 0.000 0.219 28 Q C 0.533 176.223 176.000 -0.517 0.000 1.169 28 Q CA 0.008 55.568 55.803 -0.404 0.000 0.315 28 Q CB 0.202 28.892 28.738 -0.082 0.000 5.814 28 Q HN 0.547 nan 8.270 nan 0.000 0.319 29 W N -0.228 121.002 121.300 -0.116 0.000 2.570 29 W HA 0.387 5.046 4.660 -0.000 0.000 0.410 29 W C 0.152 176.614 176.519 -0.095 0.000 0.889 29 W CA 0.504 57.782 57.345 -0.113 0.000 2.386 29 W CB 0.992 30.342 29.460 -0.182 0.000 1.228 29 W HN 0.908 nan 8.180 nan 0.000 0.692 30 G N 0.952 109.780 108.800 0.046 0.000 3.031 30 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.198 30 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.198 30 G C 0.329 175.207 174.900 -0.038 0.000 1.242 30 G CA -0.156 44.951 45.100 0.012 0.000 0.878 30 G HN 0.164 nan 8.290 nan 0.000 0.493 31 D N 1.573 121.948 120.400 -0.041 0.000 2.738 31 D HA 0.342 4.981 4.640 -0.000 0.000 0.246 31 D C 1.340 177.583 176.300 -0.094 0.000 1.270 31 D CA 0.068 54.028 54.000 -0.068 0.000 0.833 31 D CB 0.741 41.517 40.800 -0.040 0.000 1.040 31 D HN 0.450 nan 8.370 nan 0.000 0.487 32 E N 0.959 121.092 120.200 -0.112 0.000 2.048 32 E HA -0.112 4.238 4.350 -0.000 0.000 0.202 32 E C 1.583 178.114 176.600 -0.114 0.000 1.021 32 E CA 1.615 57.940 56.400 -0.125 0.000 0.825 32 E CB -0.084 29.534 29.700 -0.136 0.000 0.756 32 E HN 0.417 nan 8.360 nan 0.000 0.454 33 G N -0.881 107.840 108.800 -0.132 0.000 2.334 33 G HA2 -0.121 3.838 3.960 -0.000 0.000 0.222 33 G HA3 -0.121 3.838 3.960 -0.000 0.000 0.222 33 G C 0.374 175.192 174.900 -0.136 0.000 1.077 33 G CA 0.101 45.137 45.100 -0.107 0.000 0.861 33 G HN 0.126 nan 8.290 nan 0.000 0.508 34 K N 0.150 120.429 120.400 -0.202 0.000 2.057 34 K HA 0.057 4.377 4.320 -0.000 0.000 0.206 34 K C 2.719 179.216 176.600 -0.170 0.000 1.050 34 K CA 1.141 57.306 56.287 -0.204 0.000 0.935 34 K CB -0.145 32.209 32.500 -0.244 0.000 0.715 34 K HN 0.370 nan 8.250 nan 0.000 0.439 35 G N 2.835 111.505 108.800 -0.216 0.000 2.529 35 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.219 35 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.219 35 G C 1.485 176.369 174.900 -0.027 0.000 1.177 35 G CA 1.413 46.474 45.100 -0.065 0.000 0.773 35 G HN 0.318 nan 8.290 nan 0.000 0.573 36 K N -0.213 120.171 120.400 -0.027 0.000 2.020 36 K HA -0.118 4.202 4.320 -0.000 0.000 0.212 36 K C 2.489 179.080 176.600 -0.014 0.000 1.050 36 K CA 1.599 57.894 56.287 0.012 0.000 0.929 36 K CB -0.341 32.179 32.500 0.032 0.000 0.714 36 K HN 0.264 nan 8.250 nan 0.000 0.443 37 L N 1.218 122.400 121.223 -0.068 0.000 2.017 37 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 37 L C 2.153 178.960 176.870 -0.105 0.000 1.073 37 L CA 1.436 56.204 54.840 -0.120 0.000 0.745 37 L CB -0.442 41.499 42.059 -0.197 0.000 0.894 37 L HN 0.053 nan 8.230 nan 0.000 0.432 38 V N -0.083 119.775 119.914 -0.093 0.000 2.343 38 V HA -0.319 3.800 4.120 -0.000 0.000 0.247 38 V C 2.335 178.409 176.094 -0.034 0.000 1.051 38 V CA 1.973 64.222 62.300 -0.085 0.000 1.036 38 V CB -0.890 30.894 31.823 -0.065 0.000 0.654 38 V HN 0.607 nan 8.190 nan 0.000 0.451 39 D N -0.010 120.384 120.400 -0.011 0.000 2.149 39 D HA -0.179 4.461 4.640 -0.000 0.000 0.198 39 D C 1.917 178.245 176.300 0.047 0.000 0.990 39 D CA 1.522 55.529 54.000 0.012 0.000 0.839 39 D CB -0.136 40.675 40.800 0.018 0.000 0.948 39 D HN 0.476 nan 8.370 nan 0.000 0.460 40 I N -0.154 120.448 120.570 0.052 0.000 2.286 40 I HA -0.152 4.018 4.170 -0.000 0.000 0.245 40 I C 2.100 178.307 176.117 0.151 0.000 1.104 40 I CA 0.562 61.925 61.300 0.104 0.000 1.397 40 I CB -0.096 37.962 38.000 0.096 0.000 1.072 40 I HN 0.123 nan 8.210 nan 0.000 0.417 41 L N 0.494 121.781 121.223 0.105 0.000 2.313 41 L HA -0.029 4.311 4.340 -0.000 0.000 0.214 41 L C 2.744 179.814 176.870 0.333 0.000 1.119 41 L CA 0.622 55.581 54.840 0.199 0.000 0.809 41 L CB -0.637 41.461 42.059 0.065 0.000 0.933 41 L HN 0.190 nan 8.230 nan 0.000 0.449 42 A N 0.064 122.997 122.820 0.188 0.000 2.076 42 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 42 A C 2.193 179.905 177.584 0.214 0.000 1.160 42 A CA 1.364 53.517 52.037 0.193 0.000 0.653 42 A CB -0.379 18.666 19.000 0.075 0.000 0.801 42 A HN 0.522 nan 8.150 nan 0.000 0.455 43 Q N -1.183 118.735 119.800 0.196 0.000 2.181 43 Q HA -0.192 4.148 4.340 -0.000 0.000 0.205 43 Q C 0.459 176.379 176.000 -0.133 0.000 0.980 43 Q CA 1.596 57.423 55.803 0.040 0.000 0.862 43 Q CB -0.209 28.560 28.738 0.051 0.000 0.905 43 Q HN 0.917 nan 8.270 nan 0.000 0.429 44 H N -1.730 117.401 119.070 0.100 0.000 2.472 44 H HA 0.301 4.857 4.556 -0.000 0.000 0.287 44 H C -1.246 173.937 175.328 -0.241 0.000 1.112 44 H CA -0.182 55.830 56.048 -0.059 0.000 1.021 44 H CB 0.032 29.721 29.762 -0.122 0.000 1.635 44 H HN -0.016 nan 8.280 nan 0.000 0.559 45 F N -0.040 119.957 119.950 0.078 0.000 2.561 45 F HA 0.215 4.742 4.527 -0.000 0.000 0.313 45 F C 0.647 176.465 175.800 0.030 0.000 1.126 45 F CA -0.901 57.130 58.000 0.053 0.000 0.918 45 F CB 2.048 41.078 39.000 0.050 0.000 1.199 45 F HN 0.048 nan 8.300 nan 0.000 0.444 46 D N 2.691 123.203 120.400 0.188 0.000 2.183 46 D HA 0.057 4.697 4.640 -0.000 0.000 0.203 46 D C 0.374 176.766 176.300 0.154 0.000 0.969 46 D CA 1.649 55.724 54.000 0.126 0.000 0.842 46 D CB 0.642 41.488 40.800 0.077 0.000 0.957 46 D HN 0.241 nan 8.370 nan 0.000 0.484 47 I N 0.412 121.095 120.570 0.188 0.000 2.619 47 I HA 0.220 4.390 4.170 -0.000 0.000 0.292 47 I C -0.924 175.254 176.117 0.102 0.000 1.100 47 I CA -0.828 60.566 61.300 0.156 0.000 1.043 47 I CB 3.208 41.300 38.000 0.153 0.000 1.239 47 I HN -0.415 nan 8.210 nan 0.000 0.420 48 V N 4.376 124.326 119.914 0.059 0.000 2.483 48 V HA 0.806 4.926 4.120 -0.000 0.000 0.297 48 V C -0.247 175.848 176.094 0.003 0.000 1.027 48 V CA -0.424 61.867 62.300 -0.015 0.000 0.855 48 V CB 1.553 33.355 31.823 -0.034 0.000 0.995 48 V HN 0.834 nan 8.190 nan 0.000 0.424 49 A N 4.870 127.684 122.820 -0.010 0.000 2.374 49 A HA 0.831 5.151 4.320 -0.000 0.000 0.305 49 A C -0.470 177.109 177.584 -0.008 0.000 1.053 49 A CA -0.795 51.246 52.037 0.008 0.000 0.726 49 A CB 1.380 20.408 19.000 0.046 0.000 1.229 49 A HN 0.807 nan 8.150 nan 0.000 0.431 50 R N 0.990 121.482 120.500 -0.013 0.000 2.490 50 R HA 0.427 4.767 4.340 -0.000 0.000 0.278 50 R C 0.813 177.117 176.300 0.006 0.000 1.069 50 R CA 0.371 56.463 56.100 -0.012 0.000 1.080 50 R CB 0.663 30.940 30.300 -0.039 0.000 1.030 50 R HN 0.981 nan 8.270 nan 0.000 0.491 51 C N 0.662 119.973 119.300 0.017 0.000 3.294 51 C HA 0.414 4.874 4.460 -0.000 0.000 0.441 51 C C 0.174 175.192 174.990 0.047 0.000 1.364 51 C CA -0.425 58.611 59.018 0.030 0.000 2.059 51 C CB 0.313 28.069 27.740 0.027 0.000 2.925 51 C HN 0.587 nan 8.230 nan 0.000 0.633 52 Q N 0.712 120.543 119.800 0.051 0.000 3.022 52 Q HA 0.585 4.924 4.340 -0.000 0.000 0.313 52 Q C 0.448 176.507 176.000 0.099 0.000 1.018 52 Q CA 0.604 56.458 55.803 0.085 0.000 0.799 52 Q CB 0.844 29.611 28.738 0.049 0.000 1.498 52 Q HN 0.805 nan 8.270 nan 0.000 0.494 53 G N -0.695 108.200 108.800 0.159 0.000 2.692 53 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.248 53 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.248 53 G C 0.078 175.045 174.900 0.113 0.000 1.340 53 G CA 0.164 45.355 45.100 0.151 0.000 0.896 53 G HN 0.911 nan 8.290 nan 0.000 0.570 54 G N -2.864 105.972 108.800 0.060 0.000 3.265 54 G HA2 0.739 4.699 3.960 -0.000 0.000 0.171 54 G HA3 0.739 4.699 3.960 -0.000 0.000 0.171 54 G C 1.125 176.020 174.900 -0.008 0.000 1.110 54 G CA 1.252 46.351 45.100 -0.002 0.000 0.855 54 G HN 1.980 nan 8.290 nan 0.000 0.658 55 A N 0.179 122.991 122.820 -0.013 0.000 2.178 55 A HA 0.128 4.448 4.320 -0.000 0.000 0.211 55 A C 1.841 179.478 177.584 0.088 0.000 1.157 55 A CA 1.487 53.536 52.037 0.021 0.000 0.780 55 A CB -0.802 18.177 19.000 -0.037 0.000 0.828 55 A HN 0.668 nan 8.150 nan 0.000 0.476 56 N N 1.226 119.957 118.700 0.051 0.000 2.334 56 N HA -0.011 4.728 4.740 -0.000 0.000 0.187 56 N C 0.847 176.411 175.510 0.090 0.000 1.016 56 N CA 1.065 54.155 53.050 0.066 0.000 0.879 56 N CB -0.604 37.913 38.487 0.048 0.000 0.965 56 N HN 0.440 nan 8.380 nan 0.000 0.438 57 A N -0.518 122.348 122.820 0.077 0.000 2.325 57 A HA 0.573 4.892 4.320 -0.000 0.000 0.260 57 A C 0.923 178.465 177.584 -0.071 0.000 1.133 57 A CA 0.112 52.184 52.037 0.057 0.000 0.801 57 A CB -0.167 18.832 19.000 -0.002 0.000 1.092 57 A HN 0.527 nan 8.150 nan 0.000 0.504 58 G N -0.615 108.173 108.800 -0.020 0.000 5.114 58 G HA2 0.397 4.357 3.960 -0.000 0.000 0.209 58 G HA3 0.397 4.357 3.960 -0.000 0.000 0.209 58 G C -0.820 174.073 174.900 -0.012 0.000 1.021 58 G CA -0.540 44.428 45.100 -0.220 0.000 0.608 58 G HN 0.701 nan 8.290 nan 0.000 0.360 59 H N 1.441 120.377 119.070 -0.223 0.000 3.145 59 H HA 0.288 4.844 4.556 -0.000 0.000 0.263 59 H C 0.605 175.858 175.328 -0.125 0.000 1.057 59 H CA 0.278 56.244 56.048 -0.137 0.000 1.477 59 H CB 0.158 29.852 29.762 -0.113 0.000 1.529 59 H HN 0.061 nan 8.280 nan 0.000 0.508 60 T N 5.242 119.789 114.554 -0.012 0.000 2.817 60 T HA 0.544 4.894 4.350 -0.000 0.000 0.293 60 T C 0.756 175.399 174.700 -0.094 0.000 0.964 60 T CA -0.415 61.638 62.100 -0.078 0.000 1.085 60 T CB 0.582 69.397 68.868 -0.088 0.000 0.921 60 T HN 0.395 nan 8.240 nan 0.000 0.502 61 I N 2.178 122.651 120.570 -0.161 0.000 2.802 61 I HA 0.428 4.598 4.170 -0.000 0.000 0.298 61 I C -1.452 174.557 176.117 -0.179 0.000 1.176 61 I CA -1.198 60.055 61.300 -0.078 0.000 1.025 61 I CB 2.392 40.407 38.000 0.024 0.000 1.243 61 I HN 0.567 nan 8.210 nan 0.000 0.424 62 Y N 3.262 123.659 120.300 0.162 0.000 2.331 62 Y HA 0.308 4.858 4.550 -0.000 0.000 0.334 62 Y C 0.312 176.319 175.900 0.179 0.000 0.960 62 Y CA -1.023 57.182 58.100 0.174 0.000 1.130 62 Y CB 1.250 39.772 38.460 0.105 0.000 1.164 62 Y HN 0.607 nan 8.280 nan 0.000 0.458 63 N N -0.339 118.585 118.700 0.373 0.000 2.290 63 N HA 0.032 4.772 4.740 -0.000 0.000 0.269 63 N C 0.888 176.520 175.510 0.202 0.000 1.295 63 N CA 0.091 53.299 53.050 0.265 0.000 0.932 63 N CB 0.020 38.693 38.487 0.310 0.000 1.128 63 N HN 0.459 nan 8.380 nan 0.000 0.532 64 S N -0.740 115.049 115.700 0.149 0.000 2.400 64 S HA -0.113 4.357 4.470 -0.000 0.000 0.232 64 S C 1.315 175.978 174.600 0.105 0.000 1.025 64 S CA 1.044 59.312 58.200 0.113 0.000 0.993 64 S CB -0.270 62.983 63.200 0.089 0.000 0.808 64 S HN 0.528 nan 8.310 nan 0.000 0.478 65 E N -0.091 120.180 120.200 0.118 0.000 2.122 65 E HA 0.132 4.482 4.350 -0.000 0.000 0.190 65 E C 1.634 178.292 176.600 0.096 0.000 0.977 65 E CA 0.875 57.332 56.400 0.095 0.000 0.820 65 E CB -0.144 29.610 29.700 0.089 0.000 0.770 65 E HN 0.568 nan 8.360 nan 0.000 0.462 66 G N 1.325 110.213 108.800 0.146 0.000 2.234 66 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.153 66 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.153 66 G C 0.177 175.219 174.900 0.237 0.000 1.013 66 G CA -0.153 45.045 45.100 0.162 0.000 0.712 66 G HN 0.111 nan 8.290 nan 0.000 0.491 67 K N 1.177 121.676 120.400 0.164 0.000 2.412 67 K HA 0.317 4.637 4.320 -0.000 0.000 0.281 67 K C 0.229 176.793 176.600 -0.060 0.000 1.027 67 K CA -0.260 56.018 56.287 -0.015 0.000 0.989 67 K CB 0.365 32.752 32.500 -0.188 0.000 0.935 67 K HN 0.148 nan 8.250 nan 0.000 0.475 68 K N 4.970 125.266 120.400 -0.173 0.000 2.273 68 K HA 0.131 4.451 4.320 -0.000 0.000 0.287 68 K C -1.314 175.051 176.600 -0.392 0.000 1.089 68 K CA -0.303 55.778 56.287 -0.342 0.000 0.909 68 K CB 0.273 32.672 32.500 -0.169 0.000 1.123 68 K HN 0.339 nan 8.250 nan 0.000 0.473 69 F N 2.274 122.094 119.950 -0.217 0.000 2.420 69 F HA 0.403 4.930 4.527 -0.000 0.000 0.342 69 F C 0.401 176.122 175.800 -0.132 0.000 1.113 69 F CA -0.735 57.195 58.000 -0.117 0.000 1.059 69 F CB 1.982 40.935 39.000 -0.079 0.000 1.128 69 F HN 0.502 nan 8.300 nan 0.000 0.475 70 A N 5.679 128.565 122.820 0.111 0.000 2.802 70 A HA 0.536 4.856 4.320 -0.000 0.000 0.344 70 A C -0.642 176.969 177.584 0.046 0.000 1.215 70 A CA -0.574 51.483 52.037 0.034 0.000 0.821 70 A CB -0.165 18.859 19.000 0.040 0.000 1.099 70 A HN 0.552 nan 8.150 nan 0.000 0.479 71 L N 1.003 122.219 121.223 -0.010 0.000 2.473 71 L HA 0.280 4.620 4.340 -0.000 0.000 0.268 71 L C 0.995 177.716 176.870 -0.250 0.000 1.215 71 L CA 0.962 55.778 54.840 -0.039 0.000 0.823 71 L CB -0.135 41.868 42.059 -0.093 0.000 1.099 71 L HN 0.840 nan 8.230 nan 0.000 0.483 72 H N -0.171 118.813 119.070 -0.144 0.000 1.985 72 H HA 0.265 4.821 4.556 -0.000 0.000 0.159 72 H C 1.435 176.633 175.328 -0.216 0.000 1.010 72 H CA -0.031 55.921 56.048 -0.160 0.000 1.075 72 H CB 0.232 29.939 29.762 -0.091 0.000 0.963 72 H HN 0.344 nan 8.280 nan 0.000 0.330 73 L N 0.559 121.764 121.223 -0.029 0.000 2.221 73 L HA 0.158 4.498 4.340 -0.000 0.000 0.202 73 L C -0.063 176.720 176.870 -0.145 0.000 1.074 73 L CA 0.165 54.940 54.840 -0.108 0.000 0.795 73 L CB 0.606 42.590 42.059 -0.125 0.000 0.960 73 L HN -0.009 nan 8.230 nan 0.000 0.458 74 V N 1.564 121.397 119.914 -0.135 0.000 2.585 74 V HA 0.068 4.187 4.120 -0.000 0.000 0.296 74 V C -2.037 173.973 176.094 -0.140 0.000 1.035 74 V CA -1.236 60.983 62.300 -0.135 0.000 1.084 74 V CB 0.201 31.955 31.823 -0.115 0.000 0.953 74 V HN 0.052 nan 8.190 nan 0.000 0.483 75 P HA 0.053 nan 4.420 nan 0.000 0.264 75 P C 0.770 178.019 177.300 -0.084 0.000 1.183 75 P CA 0.340 63.381 63.100 -0.098 0.000 0.763 75 P CB 0.469 32.131 31.700 -0.064 0.000 0.807 76 S N 2.229 117.896 115.700 -0.055 0.000 2.493 76 S HA -0.091 4.379 4.470 -0.000 0.000 0.243 76 S C 1.848 176.420 174.600 -0.047 0.000 0.991 76 S CA 1.400 59.582 58.200 -0.029 0.000 0.957 76 S CB -0.727 62.504 63.200 0.052 0.000 0.756 76 S HN 0.741 nan 8.310 nan 0.000 0.521 77 G N 0.383 109.155 108.800 -0.046 0.000 3.181 77 G HA2 0.075 4.035 3.960 -0.000 0.000 0.219 77 G HA3 0.075 4.035 3.960 -0.000 0.000 0.219 77 G C 0.966 175.838 174.900 -0.047 0.000 1.182 77 G CA -0.271 44.808 45.100 -0.035 0.000 0.791 77 G HN 0.460 nan 8.290 nan 0.000 0.537 78 I N 0.337 120.860 120.570 -0.078 0.000 2.830 78 I HA 0.057 4.226 4.170 -0.000 0.000 0.263 78 I C 2.217 178.256 176.117 -0.130 0.000 1.230 78 I CA 0.710 61.954 61.300 -0.093 0.000 1.480 78 I CB 0.088 38.023 38.000 -0.108 0.000 1.095 78 I HN 0.138 nan 8.210 nan 0.000 0.455 79 L N -0.140 120.984 121.223 -0.166 0.000 2.291 79 L HA -0.036 4.304 4.340 -0.000 0.000 0.214 79 L C 0.614 177.421 176.870 -0.105 0.000 1.120 79 L CA 0.347 55.062 54.840 -0.208 0.000 0.799 79 L CB -0.737 41.168 42.059 -0.258 0.000 0.925 79 L HN 0.169 nan 8.230 nan 0.000 0.446 80 N N 1.211 119.876 118.700 -0.058 0.000 2.406 80 N HA -0.001 4.739 4.740 -0.000 0.000 0.251 80 N C 0.616 176.115 175.510 -0.019 0.000 1.069 80 N CA -0.170 52.866 53.050 -0.024 0.000 0.947 80 N CB 1.405 39.893 38.487 0.003 0.000 1.111 80 N HN 0.126 nan 8.380 nan 0.000 0.497 81 E N 1.119 121.309 120.200 -0.016 0.000 2.171 81 E HA -0.161 4.189 4.350 -0.000 0.000 0.197 81 E C -0.021 176.580 176.600 0.002 0.000 0.997 81 E CA 1.304 57.700 56.400 -0.008 0.000 0.810 81 E CB 0.117 29.814 29.700 -0.004 0.000 0.738 81 E HN 0.536 nan 8.360 nan 0.000 0.467 82 D N 0.975 121.377 120.400 0.004 0.000 2.538 82 D HA 0.064 4.704 4.640 -0.000 0.000 0.234 82 D C -0.385 175.932 176.300 0.028 0.000 1.191 82 D CA 0.228 54.235 54.000 0.012 0.000 0.828 82 D CB 0.297 41.099 40.800 0.003 0.000 0.981 82 D HN -0.084 nan 8.370 nan 0.000 0.490 83 T N 0.100 114.673 114.554 0.031 0.000 2.812 83 T HA 0.286 4.635 4.350 -0.000 0.000 0.282 83 T C 0.126 174.856 174.700 0.049 0.000 0.990 83 T CA -0.506 61.624 62.100 0.050 0.000 0.960 83 T CB 2.136 71.031 68.868 0.045 0.000 0.948 83 T HN -0.197 nan 8.240 nan 0.000 0.438 84 T N 2.802 117.404 114.554 0.079 0.000 2.738 84 T HA 0.281 4.631 4.350 -0.000 0.000 0.298 84 T C 0.388 175.134 174.700 0.075 0.000 0.962 84 T CA -0.452 61.693 62.100 0.075 0.000 0.972 84 T CB -0.248 68.692 68.868 0.120 0.000 0.928 84 T HN 0.664 nan 8.240 nan 0.000 0.474 85 C N 3.899 123.216 119.300 0.028 0.000 2.601 85 C HA 0.562 5.022 4.460 -0.000 0.000 0.409 85 C C 0.595 175.589 174.990 0.006 0.000 1.293 85 C CA -0.656 58.368 59.018 0.010 0.000 2.101 85 C CB -0.289 27.433 27.740 -0.030 0.000 2.639 85 C HN 0.638 nan 8.230 nan 0.000 0.592 86 V N 5.020 124.949 119.914 0.024 0.000 2.531 86 V HA 0.411 4.531 4.120 -0.000 0.000 0.301 86 V C -0.214 175.881 176.094 0.001 0.000 1.034 86 V CA -0.264 62.053 62.300 0.029 0.000 0.865 86 V CB 1.678 33.582 31.823 0.134 0.000 0.995 86 V HN 0.685 nan 8.190 nan 0.000 0.424 87 I N 4.448 125.002 120.570 -0.026 0.000 2.307 87 I HA 0.394 4.563 4.170 -0.000 0.000 0.287 87 I C 1.263 177.376 176.117 -0.006 0.000 1.054 87 I CA -0.042 61.235 61.300 -0.038 0.000 1.218 87 I CB 1.113 39.062 38.000 -0.086 0.000 1.398 87 I HN 0.778 nan 8.210 nan 0.000 0.475 88 G N 4.852 113.661 108.800 0.015 0.000 2.744 88 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.257 88 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.257 88 G C 1.019 175.942 174.900 0.038 0.000 1.244 88 G CA -0.418 44.705 45.100 0.038 0.000 0.916 88 G HN 0.794 nan 8.290 nan 0.000 0.564 89 N N -0.239 118.495 118.700 0.058 0.000 2.396 89 N HA -0.067 4.673 4.740 -0.000 0.000 0.180 89 N C 1.859 177.422 175.510 0.088 0.000 1.028 89 N CA 1.012 54.106 53.050 0.073 0.000 0.893 89 N CB -0.119 38.418 38.487 0.083 0.000 0.967 89 N HN 0.511 nan 8.380 nan 0.000 0.440 90 G N 0.989 109.837 108.800 0.080 0.000 2.744 90 G HA2 0.120 4.080 3.960 -0.000 0.000 0.211 90 G HA3 0.120 4.080 3.960 -0.000 0.000 0.211 90 G C 0.651 175.624 174.900 0.122 0.000 1.143 90 G CA -0.089 45.077 45.100 0.109 0.000 0.788 90 G HN 0.148 nan 8.290 nan 0.000 0.534 91 V N 0.562 120.510 119.914 0.057 0.000 3.133 91 V HA 0.345 4.465 4.120 -0.000 0.000 0.305 91 V C 0.531 176.577 176.094 -0.080 0.000 1.084 91 V CA -0.572 61.735 62.300 0.012 0.000 1.089 91 V CB 1.662 33.475 31.823 -0.017 0.000 1.073 91 V HN 0.191 nan 8.190 nan 0.000 0.477 92 V N 1.133 120.958 119.914 -0.149 0.000 2.315 92 V HA 0.452 4.572 4.120 -0.000 0.000 0.265 92 V C -0.227 175.767 176.094 -0.167 0.000 1.019 92 V CA -0.777 61.379 62.300 -0.240 0.000 0.824 92 V CB 0.701 32.236 31.823 -0.478 0.000 1.072 92 V HN 0.690 nan 8.190 nan 0.000 0.448 93 V N 1.172 120.998 119.914 -0.147 0.000 2.585 93 V HA 0.420 4.540 4.120 -0.000 0.000 0.296 93 V C 0.235 176.227 176.094 -0.169 0.000 1.035 93 V CA 0.164 62.366 62.300 -0.164 0.000 1.084 93 V CB 0.274 31.977 31.823 -0.200 0.000 0.953 93 V HN 0.962 nan 8.190 nan 0.000 0.483 94 H N 4.770 123.686 119.070 -0.256 0.000 2.700 94 H HA 0.478 5.034 4.556 -0.000 0.000 0.269 94 H C 0.574 175.696 175.328 -0.344 0.000 1.222 94 H CA -0.538 55.359 56.048 -0.252 0.000 1.254 94 H CB 0.704 30.352 29.762 -0.189 0.000 1.413 94 H HN 0.751 nan 8.280 nan 0.000 0.507 95 L N 4.881 125.713 121.223 -0.653 0.000 2.034 95 L HA -0.176 4.163 4.340 -0.000 0.000 0.217 95 L C -0.583 175.677 176.870 -1.016 0.000 1.077 95 L CA 1.477 55.782 54.840 -0.892 0.000 0.769 95 L CB -1.335 40.248 42.059 -0.793 0.000 0.890 95 L HN 0.549 nan 8.230 nan 0.000 0.435 96 P HA -0.152 nan 4.420 nan 0.000 0.215 96 P C 1.532 178.649 177.300 -0.305 0.000 1.153 96 P CA 1.833 64.540 63.100 -0.655 0.000 0.853 96 P CB -0.168 31.224 31.700 -0.514 0.000 0.788 97 G N -0.372 108.286 108.800 -0.238 0.000 2.403 97 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.216 97 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.216 97 G C 1.437 176.233 174.900 -0.174 0.000 1.154 97 G CA 0.349 45.425 45.100 -0.041 0.000 0.784 97 G HN 0.206 nan 8.290 nan 0.000 0.538 98 L N -0.114 120.905 121.223 -0.341 0.000 2.046 98 L HA 0.127 4.467 4.340 -0.000 0.000 0.208 98 L C 2.526 179.175 176.870 -0.368 0.000 1.077 98 L CA 1.613 56.197 54.840 -0.427 0.000 0.747 98 L CB -0.617 41.047 42.059 -0.659 0.000 0.896 98 L HN 0.275 nan 8.230 nan 0.000 0.432 99 F N -0.221 119.618 119.950 -0.185 0.000 2.163 99 F HA -0.153 4.373 4.527 -0.000 0.000 0.297 99 F C 2.572 178.332 175.800 -0.068 0.000 1.094 99 F CA 1.259 59.192 58.000 -0.111 0.000 1.290 99 F CB -0.341 38.607 39.000 -0.087 0.000 1.017 99 F HN 0.036 nan 8.300 nan 0.000 0.483 100 K N 0.822 121.279 120.400 0.095 0.000 2.103 100 K HA -0.257 4.063 4.320 -0.000 0.000 0.207 100 K C 2.012 178.627 176.600 0.024 0.000 1.048 100 K CA 1.719 58.036 56.287 0.051 0.000 0.930 100 K CB -0.166 32.342 32.500 0.014 0.000 0.716 100 K HN 0.302 nan 8.250 nan 0.000 0.444 101 E N 0.415 120.606 120.200 -0.015 0.000 2.072 101 E HA -0.142 4.208 4.350 -0.000 0.000 0.190 101 E C 1.963 178.574 176.600 0.017 0.000 0.982 101 E CA 0.999 57.391 56.400 -0.013 0.000 0.803 101 E CB 0.002 29.671 29.700 -0.052 0.000 0.755 101 E HN 0.347 nan 8.360 nan 0.000 0.453 102 I N 1.427 122.007 120.570 0.017 0.000 2.394 102 I HA -0.236 3.934 4.170 -0.000 0.000 0.251 102 I C 1.836 178.004 176.117 0.084 0.000 1.136 102 I CA 0.787 62.116 61.300 0.048 0.000 1.425 102 I CB -0.239 37.809 38.000 0.081 0.000 1.079 102 I HN 0.102 nan 8.210 nan 0.000 0.425 103 D N 1.153 121.608 120.400 0.092 0.000 2.077 103 D HA -0.120 4.520 4.640 -0.000 0.000 0.196 103 D C 2.176 178.516 176.300 0.067 0.000 0.986 103 D CA 1.729 55.776 54.000 0.078 0.000 0.829 103 D CB -0.530 40.314 40.800 0.072 0.000 0.983 103 D HN 0.352 nan 8.370 nan 0.000 0.453 104 G N 0.064 108.901 108.800 0.062 0.000 2.776 104 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.209 104 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.209 104 G C 1.461 176.419 174.900 0.096 0.000 1.145 104 G CA 0.092 45.231 45.100 0.064 0.000 0.791 104 G HN 0.137 nan 8.290 nan 0.000 0.530 105 L N -0.177 121.106 121.223 0.100 0.000 2.221 105 L HA 0.289 4.629 4.340 -0.000 0.000 0.202 105 L C 2.484 179.425 176.870 0.118 0.000 1.074 105 L CA 1.239 56.157 54.840 0.129 0.000 0.795 105 L CB -0.181 41.924 42.059 0.077 0.000 0.960 105 L HN 0.201 nan 8.230 nan 0.000 0.458 106 E N -0.950 119.302 120.200 0.087 0.000 2.208 106 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 106 E C 2.070 178.715 176.600 0.075 0.000 0.988 106 E CA 1.125 57.570 56.400 0.076 0.000 0.828 106 E CB -0.006 29.735 29.700 0.067 0.000 0.763 106 E HN 0.596 nan 8.360 nan 0.000 0.478 107 S N 0.819 116.564 115.700 0.074 0.000 2.481 107 S HA -0.054 4.416 4.470 -0.000 0.000 0.231 107 S C 1.413 176.057 174.600 0.073 0.000 0.996 107 S CA 0.702 58.939 58.200 0.061 0.000 0.942 107 S CB -0.056 63.173 63.200 0.048 0.000 0.768 107 S HN 0.066 nan 8.310 nan 0.000 0.520 108 N N 0.945 119.712 118.700 0.112 0.000 2.268 108 N HA 0.392 5.132 4.740 -0.000 0.000 0.204 108 N C 1.091 176.718 175.510 0.194 0.000 1.124 108 N CA 0.681 53.819 53.050 0.148 0.000 0.838 108 N CB 0.733 39.341 38.487 0.202 0.000 0.994 108 N HN 0.600 nan 8.380 nan 0.000 0.489 109 G N -1.181 107.698 108.800 0.133 0.000 2.604 109 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.205 109 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.205 109 G C -0.182 174.763 174.900 0.075 0.000 1.186 109 G CA -0.132 45.034 45.100 0.109 0.000 0.753 109 G HN 0.121 nan 8.290 nan 0.000 0.526 110 V N 3.360 123.313 119.914 0.066 0.000 2.493 110 V HA 0.413 4.533 4.120 -0.000 0.000 0.292 110 V C 1.043 177.152 176.094 0.024 0.000 1.016 110 V CA 0.677 62.982 62.300 0.007 0.000 1.097 110 V CB 0.913 32.697 31.823 -0.065 0.000 0.947 110 V HN 1.169 nan 8.190 nan 0.000 0.479 111 S N 3.820 119.533 115.700 0.021 0.000 2.399 111 S HA 0.156 4.626 4.470 -0.000 0.000 0.301 111 S C 0.550 175.172 174.600 0.038 0.000 1.093 111 S CA -0.755 57.465 58.200 0.033 0.000 1.077 111 S CB 0.470 63.687 63.200 0.027 0.000 0.980 111 S HN 0.754 nan 8.310 nan 0.000 0.494 112 C N 2.983 122.320 119.300 0.062 0.000 2.576 112 C HA 0.172 4.632 4.460 -0.000 0.000 0.267 112 C C 1.137 176.217 174.990 0.151 0.000 1.364 112 C CA -0.466 58.606 59.018 0.091 0.000 1.723 112 C CB -1.680 26.119 27.740 0.098 0.000 1.778 112 C HN 0.776 nan 8.230 nan 0.000 0.572 113 K N 1.464 121.923 120.400 0.098 0.000 2.419 113 K HA 0.327 4.646 4.320 -0.000 0.000 0.282 113 K C 1.200 177.823 176.600 0.037 0.000 1.056 113 K CA 0.902 57.224 56.287 0.058 0.000 1.035 113 K CB -0.030 32.477 32.500 0.013 0.000 0.921 113 K HN 0.453 nan 8.250 nan 0.000 0.472 114 G N 3.076 111.892 108.800 0.027 0.000 2.198 114 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.260 114 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.260 114 G C 0.590 175.505 174.900 0.025 0.000 1.025 114 G CA 0.390 45.492 45.100 0.002 0.000 0.769 114 G HN 0.740 nan 8.290 nan 0.000 0.507 115 R N -1.236 119.307 120.500 0.072 0.000 2.453 115 R HA 0.353 4.693 4.340 -0.000 0.000 0.233 115 R C 0.727 177.046 176.300 0.031 0.000 0.895 115 R CA -0.055 56.069 56.100 0.039 0.000 1.028 115 R CB 0.783 31.102 30.300 0.032 0.000 1.255 115 R HN 0.439 nan 8.270 nan 0.000 0.571 116 I N 2.867 123.486 120.570 0.081 0.000 2.337 116 I HA 0.236 4.406 4.170 -0.000 0.000 0.285 116 I C -0.606 175.532 176.117 0.035 0.000 1.041 116 I CA -0.420 60.873 61.300 -0.012 0.000 1.199 116 I CB 1.257 39.151 38.000 -0.177 0.000 1.370 116 I HN -0.108 nan 8.210 nan 0.000 0.470 117 L N 7.215 128.414 121.223 -0.040 0.000 2.255 117 L HA 0.406 4.746 4.340 -0.000 0.000 0.289 117 L C -0.282 176.556 176.870 -0.053 0.000 1.046 117 L CA -0.703 54.098 54.840 -0.065 0.000 0.816 117 L CB 1.195 43.114 42.059 -0.232 0.000 1.197 117 L HN 0.276 nan 8.230 nan 0.000 0.427 118 V N 2.591 122.494 119.914 -0.018 0.000 2.364 118 V HA 0.112 4.232 4.120 -0.000 0.000 0.272 118 V C 0.728 176.816 176.094 -0.010 0.000 1.036 118 V CA -0.262 62.014 62.300 -0.040 0.000 0.880 118 V CB 1.468 33.252 31.823 -0.065 0.000 0.991 118 V HN 0.848 nan 8.190 nan 0.000 0.460 119 S N 3.305 119.002 115.700 -0.006 0.000 2.552 119 S HA -0.031 4.439 4.470 -0.000 0.000 0.289 119 S C 1.265 175.874 174.600 0.015 0.000 1.304 119 S CA 0.015 58.226 58.200 0.018 0.000 1.063 119 S CB 0.387 63.606 63.200 0.033 0.000 0.848 119 S HN 0.911 nan 8.310 nan 0.000 0.499 120 D N 4.482 124.898 120.400 0.026 0.000 2.323 120 D HA -0.061 4.579 4.640 -0.000 0.000 0.209 120 D C 1.317 177.625 176.300 0.012 0.000 0.973 120 D CA 0.594 54.606 54.000 0.020 0.000 0.874 120 D CB -0.123 40.694 40.800 0.029 0.000 0.930 120 D HN 0.625 nan 8.370 nan 0.000 0.521 121 R N 0.358 120.874 120.500 0.028 0.000 2.300 121 R HA 0.340 4.680 4.340 -0.000 0.000 0.199 121 R C 0.849 177.178 176.300 0.047 0.000 0.920 121 R CA 0.084 56.204 56.100 0.033 0.000 1.046 121 R CB 0.361 30.701 30.300 0.066 0.000 0.984 121 R HN 0.090 nan 8.270 nan 0.000 0.493 122 A N 1.213 124.054 122.820 0.035 0.000 2.386 122 A HA 0.168 4.488 4.320 -0.000 0.000 0.248 122 A C -0.656 176.942 177.584 0.023 0.000 1.082 122 A CA -0.213 51.861 52.037 0.062 0.000 0.789 122 A CB 0.163 19.168 19.000 0.007 0.000 1.025 122 A HN 0.201 nan 8.150 nan 0.000 0.490 123 H N -0.151 118.866 119.070 -0.088 0.000 2.482 123 H HA 0.498 5.054 4.556 -0.000 0.000 0.344 123 H C -0.350 174.892 175.328 -0.143 0.000 1.151 123 H CA -0.283 55.709 56.048 -0.093 0.000 1.300 123 H CB 0.846 30.529 29.762 -0.132 0.000 1.494 123 H HN 0.485 nan 8.280 nan 0.000 0.542 124 L N 3.105 124.299 121.223 -0.049 0.000 2.264 124 L HA 0.167 4.506 4.340 -0.000 0.000 0.289 124 L C -0.460 176.234 176.870 -0.293 0.000 1.044 124 L CA -0.897 53.781 54.840 -0.270 0.000 0.807 124 L CB 0.716 42.460 42.059 -0.524 0.000 1.192 124 L HN 0.264 nan 8.230 nan 0.000 0.425 125 L N 4.733 125.806 121.223 -0.251 0.000 2.325 125 L HA 0.377 4.717 4.340 -0.000 0.000 0.284 125 L C -0.553 176.309 176.870 -0.014 0.000 1.089 125 L CA 0.503 55.278 54.840 -0.108 0.000 0.836 125 L CB -0.130 41.862 42.059 -0.112 0.000 1.184 125 L HN 0.177 nan 8.230 nan 0.000 0.444 126 F N 2.860 122.975 119.950 0.275 0.000 2.380 126 F HA 0.267 4.794 4.527 -0.000 0.000 0.321 126 F C 1.636 177.505 175.800 0.115 0.000 1.103 126 F CA -0.195 57.901 58.000 0.160 0.000 1.067 126 F CB 0.563 39.599 39.000 0.059 0.000 1.265 126 F HN 0.526 nan 8.300 nan 0.000 0.517 127 D N 0.864 121.569 120.400 0.507 0.000 2.178 127 D HA -0.205 4.435 4.640 -0.000 0.000 0.201 127 D C 2.034 178.490 176.300 0.261 0.000 0.980 127 D CA 1.648 55.878 54.000 0.382 0.000 0.842 127 D CB -0.271 40.791 40.800 0.437 0.000 0.948 127 D HN 0.532 nan 8.370 nan 0.000 0.472 128 F N 0.528 120.608 119.950 0.217 0.000 2.325 128 F HA -0.038 4.489 4.527 -0.000 0.000 0.299 128 F C 2.152 177.919 175.800 -0.054 0.000 1.090 128 F CA 0.933 58.984 58.000 0.084 0.000 1.392 128 F CB -0.729 38.273 39.000 0.004 0.000 1.053 128 F HN -0.071 nan 8.300 nan 0.000 0.521 129 H N 1.068 119.594 119.070 -0.907 0.000 2.387 129 H HA -0.100 4.456 4.556 -0.000 0.000 0.299 129 H C 1.967 177.116 175.328 -0.297 0.000 1.090 129 H CA 2.025 57.663 56.048 -0.683 0.000 1.332 129 H CB -0.341 29.075 29.762 -0.577 0.000 1.386 129 H HN 0.545 nan 8.280 nan 0.000 0.516 130 Q N 0.079 119.831 119.800 -0.080 0.000 2.123 130 Q HA -0.095 4.245 4.340 -0.000 0.000 0.199 130 Q C 2.218 178.185 176.000 -0.055 0.000 0.966 130 Q CA 0.856 56.614 55.803 -0.076 0.000 0.845 130 Q CB 0.166 28.851 28.738 -0.089 0.000 0.907 130 Q HN 0.518 nan 8.270 nan 0.000 0.439 131 E N 0.405 120.603 120.200 -0.003 0.000 2.107 131 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 131 E C 1.942 178.489 176.600 -0.088 0.000 0.982 131 E CA 0.775 57.190 56.400 0.026 0.000 0.809 131 E CB 0.263 30.083 29.700 0.200 0.000 0.756 131 E HN 0.102 nan 8.360 nan 0.000 0.459 132 V N 1.244 121.064 119.914 -0.156 0.000 2.307 132 V HA -0.242 3.878 4.120 -0.000 0.000 0.245 132 V C 2.045 177.941 176.094 -0.329 0.000 1.045 132 V CA 2.175 64.298 62.300 -0.295 0.000 1.024 132 V CB -0.567 31.176 31.823 -0.133 0.000 0.651 132 V HN 0.360 nan 8.190 nan 0.000 0.449 133 D N 0.503 120.803 120.400 -0.167 0.000 2.104 133 D HA -0.151 4.489 4.640 -0.000 0.000 0.194 133 D C 2.148 178.349 176.300 -0.166 0.000 0.994 133 D CA 1.666 55.590 54.000 -0.127 0.000 0.830 133 D CB -0.450 40.300 40.800 -0.084 0.000 0.959 133 D HN 0.374 nan 8.370 nan 0.000 0.452 134 G N -0.229 108.472 108.800 -0.165 0.000 2.443 134 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.219 134 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.219 134 G C 1.634 176.409 174.900 -0.208 0.000 1.131 134 G CA 0.296 45.302 45.100 -0.157 0.000 0.775 134 G HN 0.337 nan 8.290 nan 0.000 0.547 135 L N -0.555 120.469 121.223 -0.333 0.000 2.291 135 L HA 0.110 4.450 4.340 -0.000 0.000 0.214 135 L C 2.776 179.406 176.870 -0.400 0.000 1.120 135 L CA 0.517 55.100 54.840 -0.429 0.000 0.799 135 L CB -0.160 41.456 42.059 -0.739 0.000 0.925 135 L HN 0.170 nan 8.230 nan 0.000 0.446 136 R N 0.042 120.332 120.500 -0.351 0.000 2.210 136 R HA -0.051 4.289 4.340 -0.000 0.000 0.203 136 R C 1.877 178.181 176.300 0.007 0.000 1.010 136 R CA 0.532 56.595 56.100 -0.062 0.000 1.008 136 R CB 0.263 30.596 30.300 0.054 0.000 0.923 136 R HN 0.384 nan 8.270 nan 0.000 0.469 137 E N -0.343 119.819 120.200 -0.064 0.000 2.122 137 E HA -0.084 4.266 4.350 -0.000 0.000 0.190 137 E C 1.761 178.282 176.600 -0.132 0.000 0.977 137 E CA 1.284 57.644 56.400 -0.066 0.000 0.820 137 E CB 0.250 29.848 29.700 -0.170 0.000 0.770 137 E HN 0.333 nan 8.360 nan 0.000 0.462 138 S N 0.766 116.381 115.700 -0.142 0.000 2.461 138 S HA -0.118 4.352 4.470 -0.000 0.000 0.228 138 S C 1.909 176.528 174.600 0.031 0.000 1.005 138 S CA 0.793 58.928 58.200 -0.107 0.000 0.942 138 S CB 0.036 63.176 63.200 -0.099 0.000 0.776 138 S HN 0.203 nan 8.310 nan 0.000 0.514 139 E N 0.179 120.414 120.200 0.059 0.000 2.158 139 E HA 0.039 4.389 4.350 -0.000 0.000 0.191 139 E C 0.455 177.145 176.600 0.150 0.000 0.982 139 E CA 0.006 56.474 56.400 0.113 0.000 0.823 139 E CB -0.026 29.764 29.700 0.150 0.000 0.766 139 E HN 0.451 nan 8.360 nan 0.000 0.468 140 L N 1.051 122.391 121.223 0.195 0.000 2.439 140 L HA 0.291 4.631 4.340 -0.000 0.000 0.269 140 L C -0.439 176.608 176.870 0.295 0.000 1.179 140 L CA 0.086 55.062 54.840 0.228 0.000 0.828 140 L CB 1.139 43.352 42.059 0.258 0.000 1.106 140 L HN 0.038 nan 8.230 nan 0.000 0.467 141 A N 3.353 126.247 122.820 0.123 0.000 2.306 141 A HA 0.763 5.083 4.320 -0.000 0.000 0.330 141 A C 0.521 177.998 177.584 -0.178 0.000 1.146 141 A CA -0.217 51.841 52.037 0.035 0.000 0.827 141 A CB 0.847 19.864 19.000 0.028 0.000 1.178 141 A HN 0.826 nan 8.150 nan 0.000 0.490 142 K N -0.234 119.990 120.400 -0.293 0.000 2.075 142 K HA -0.165 4.155 4.320 -0.000 0.000 0.144 142 K C 0.444 176.584 176.600 -0.766 0.000 1.038 142 K CA 2.013 58.061 56.287 -0.398 0.000 0.321 142 K CB -1.806 30.578 32.500 -0.193 0.000 0.709 142 K HN 0.782 nan 8.250 nan 0.000 0.762 143 S N 1.272 116.717 115.700 -0.426 0.000 2.515 143 S HA 0.337 4.806 4.470 -0.000 0.000 0.285 143 S C 0.212 174.630 174.600 -0.302 0.000 1.265 143 S CA -0.078 57.942 58.200 -0.300 0.000 1.079 143 S CB -0.438 62.752 63.200 -0.018 0.000 0.877 143 S HN 0.275 nan 8.310 nan 0.000 0.493 144 F N 1.383 121.394 119.950 0.101 0.000 2.511 144 F HA 0.481 5.008 4.527 -0.000 0.000 0.340 144 F C 1.511 177.378 175.800 0.112 0.000 1.094 144 F CA -1.209 56.832 58.000 0.069 0.000 1.119 144 F CB 0.347 39.377 39.000 0.050 0.000 1.775 144 F HN 0.333 nan 8.300 nan 0.000 0.536 145 I N -0.574 120.181 120.570 0.307 0.000 3.565 145 I HA 0.229 4.399 4.170 -0.000 0.000 0.287 145 I C 1.517 177.763 176.117 0.214 0.000 1.193 145 I CA 1.189 62.609 61.300 0.201 0.000 1.402 145 I CB -0.572 37.464 38.000 0.059 0.000 1.284 145 I HN 0.836 nan 8.210 nan 0.000 0.454 146 G N 1.596 110.492 108.800 0.159 0.000 2.148 146 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.203 146 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.203 146 G C 0.375 175.312 174.900 0.061 0.000 0.993 146 G CA 0.279 45.445 45.100 0.110 0.000 0.661 146 G HN 0.303 nan 8.290 nan 0.000 0.518 147 T N 1.358 115.937 114.554 0.042 0.000 2.913 147 T HA 0.426 4.775 4.350 -0.000 0.000 0.297 147 T C 1.813 176.510 174.700 -0.005 0.000 1.029 147 T CA 0.667 62.777 62.100 0.018 0.000 1.104 147 T CB 1.226 70.098 68.868 0.006 0.000 0.964 147 T HN 0.666 nan 8.240 nan 0.000 0.532 148 T N -0.471 114.081 114.554 -0.005 0.000 3.215 148 T HA 0.091 4.440 4.350 -0.000 0.000 0.254 148 T C 0.427 175.105 174.700 -0.037 0.000 1.149 148 T CA -0.357 61.733 62.100 -0.016 0.000 1.042 148 T CB -0.611 68.254 68.868 -0.003 0.000 0.966 148 T HN 0.784 nan 8.240 nan 0.000 0.534 149 K N -0.203 120.170 120.400 -0.046 0.000 3.203 149 K HA -0.152 4.167 4.320 -0.000 0.000 0.270 149 K C 0.812 177.366 176.600 -0.077 0.000 1.132 149 K CA 0.274 56.522 56.287 -0.064 0.000 0.794 149 K CB -1.108 31.350 32.500 -0.069 0.000 1.270 149 K HN 0.203 nan 8.250 nan 0.000 0.491 150 R N 0.634 121.088 120.500 -0.076 0.000 2.276 150 R HA 0.054 4.394 4.340 -0.000 0.000 0.196 150 R C 1.236 177.459 176.300 -0.129 0.000 0.961 150 R CA 1.454 57.486 56.100 -0.112 0.000 1.024 150 R CB 0.247 30.495 30.300 -0.086 0.000 0.940 150 R HN 0.623 nan 8.270 nan 0.000 0.480 151 G N 0.735 109.477 108.800 -0.096 0.000 2.198 151 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.257 151 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.257 151 G C 0.595 175.423 174.900 -0.121 0.000 1.042 151 G CA 0.355 45.395 45.100 -0.101 0.000 0.791 151 G HN 0.226 nan 8.290 nan 0.000 0.502 152 I N 0.731 121.263 120.570 -0.063 0.000 2.252 152 I HA -0.070 4.100 4.170 -0.000 0.000 0.245 152 I C 2.934 179.093 176.117 0.069 0.000 1.102 152 I CA 2.049 63.348 61.300 -0.003 0.000 1.385 152 I CB -1.611 36.435 38.000 0.077 0.000 1.064 152 I HN 0.296 nan 8.210 nan 0.000 0.414 153 G N 2.249 111.076 108.800 0.045 0.000 2.480 153 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.216 153 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.216 153 G C -0.439 174.480 174.900 0.032 0.000 1.200 153 G CA 0.727 45.864 45.100 0.061 0.000 0.782 153 G HN 0.289 nan 8.290 nan 0.000 0.554 154 P HA -0.047 nan 4.420 nan 0.000 0.217 154 P C 2.109 179.264 177.300 -0.241 0.000 1.148 154 P CA 1.825 64.916 63.100 -0.014 0.000 0.828 154 P CB -0.106 31.637 31.700 0.071 0.000 0.783 155 A N -1.467 121.049 122.820 -0.506 0.000 1.877 155 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 155 A C 1.950 179.283 177.584 -0.418 0.000 1.186 155 A CA 1.508 53.099 52.037 -0.744 0.000 0.620 155 A CB -1.885 16.718 19.000 -0.663 0.000 0.822 155 A HN 0.151 nan 8.150 nan 0.000 0.443 156 Y N -0.191 119.987 120.300 -0.203 0.000 2.373 156 Y HA -0.082 4.467 4.550 -0.000 0.000 0.293 156 Y C 3.070 178.906 175.900 -0.107 0.000 1.129 156 Y CA 1.050 59.051 58.100 -0.164 0.000 1.226 156 Y CB -0.371 38.013 38.460 -0.125 0.000 1.000 156 Y HN 0.363 nan 8.280 nan 0.000 0.549 157 S N -0.557 115.185 115.700 0.070 0.000 2.353 157 S HA -0.224 4.246 4.470 -0.000 0.000 0.222 157 S C 2.343 176.987 174.600 0.073 0.000 1.035 157 S CA 1.963 60.206 58.200 0.071 0.000 1.025 157 S CB -0.532 62.717 63.200 0.082 0.000 0.902 157 S HN 0.459 nan 8.310 nan 0.000 0.440 158 S N 1.191 116.950 115.700 0.098 0.000 2.382 158 S HA -0.102 4.368 4.470 -0.000 0.000 0.228 158 S C 1.864 176.536 174.600 0.120 0.000 1.027 158 S CA 1.427 59.721 58.200 0.156 0.000 0.991 158 S CB -0.392 62.986 63.200 0.297 0.000 0.823 158 S HN 0.619 nan 8.310 nan 0.000 0.469 159 K N 1.206 121.616 120.400 0.017 0.000 2.026 159 K HA -0.079 4.241 4.320 -0.000 0.000 0.208 159 K C 1.943 178.539 176.600 -0.007 0.000 1.048 159 K CA 1.302 57.519 56.287 -0.116 0.000 0.929 159 K CB -0.253 31.903 32.500 -0.572 0.000 0.713 159 K HN 0.171 nan 8.250 nan 0.000 0.439 160 V N 1.776 121.696 119.914 0.009 0.000 2.358 160 V HA -0.227 3.892 4.120 -0.000 0.000 0.246 160 V C 2.247 178.367 176.094 0.042 0.000 1.047 160 V CA 1.266 63.582 62.300 0.027 0.000 1.035 160 V CB -0.301 31.540 31.823 0.029 0.000 0.658 160 V HN 0.372 nan 8.190 nan 0.000 0.452 161 I N -0.343 120.260 120.570 0.055 0.000 2.916 161 I HA -0.105 4.065 4.170 -0.000 0.000 0.267 161 I C 1.667 177.823 176.117 0.066 0.000 1.263 161 I CA 1.010 62.344 61.300 0.056 0.000 1.471 161 I CB -1.402 36.636 38.000 0.063 0.000 1.089 161 I HN 0.456 nan 8.210 nan 0.000 0.468 162 R N 0.699 121.252 120.500 0.088 0.000 3.989 162 R HA -0.202 4.138 4.340 -0.000 0.000 0.377 162 R C 0.901 177.264 176.300 0.105 0.000 1.158 162 R CA 0.971 57.134 56.100 0.106 0.000 1.035 162 R CB -1.958 28.387 30.300 0.075 0.000 1.557 162 R HN 0.578 nan 8.270 nan 0.000 0.551 163 N N 0.185 118.950 118.700 0.107 0.000 2.236 163 N HA 0.039 4.778 4.740 -0.000 0.000 0.196 163 N C 0.575 176.161 175.510 0.126 0.000 1.114 163 N CA 0.693 53.796 53.050 0.088 0.000 0.859 163 N CB 0.446 38.967 38.487 0.056 0.000 0.982 163 N HN 0.262 nan 8.380 nan 0.000 0.493 164 G N 0.859 109.780 108.800 0.202 0.000 2.467 164 G HA2 0.473 4.433 3.960 -0.000 0.000 0.257 164 G HA3 0.473 4.433 3.960 -0.000 0.000 0.257 164 G C -0.192 174.823 174.900 0.192 0.000 1.227 164 G CA -0.581 44.693 45.100 0.290 0.000 0.835 164 G HN 0.255 nan 8.290 nan 0.000 0.556 165 I N 1.607 122.315 120.570 0.230 0.000 2.395 165 I HA 0.284 4.453 4.170 -0.000 0.000 0.289 165 I C 0.866 176.990 176.117 0.011 0.000 1.023 165 I CA -0.425 60.963 61.300 0.147 0.000 1.350 165 I CB 1.005 39.167 38.000 0.269 0.000 1.409 165 I HN 0.371 nan 8.210 nan 0.000 0.507 166 R N 3.844 124.267 120.500 -0.128 0.000 2.608 166 R HA 0.374 4.714 4.340 -0.000 0.000 0.255 166 R C 0.965 177.228 176.300 -0.063 0.000 1.086 166 R CA -0.850 55.116 56.100 -0.224 0.000 1.125 166 R CB 0.978 31.103 30.300 -0.291 0.000 1.193 166 R HN 0.388 nan 8.270 nan 0.000 0.553 167 V N 0.812 120.690 119.914 -0.060 0.000 2.343 167 V HA -0.166 3.954 4.120 -0.000 0.000 0.247 167 V C 2.140 178.243 176.094 0.015 0.000 1.051 167 V CA 2.408 64.701 62.300 -0.010 0.000 1.036 167 V CB -0.762 31.051 31.823 -0.016 0.000 0.654 167 V HN 1.088 nan 8.190 nan 0.000 0.451 168 G N -0.522 108.281 108.800 0.005 0.000 2.559 168 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.216 168 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.216 168 G C 0.979 175.890 174.900 0.018 0.000 1.126 168 G CA 0.605 45.711 45.100 0.010 0.000 0.778 168 G HN 0.516 nan 8.290 nan 0.000 0.543 169 D N 0.235 120.665 120.400 0.051 0.000 2.363 169 D HA 0.032 4.672 4.640 -0.000 0.000 0.220 169 D C 2.298 178.653 176.300 0.091 0.000 0.994 169 D CA 0.101 54.165 54.000 0.107 0.000 0.890 169 D CB 0.160 41.018 40.800 0.096 0.000 0.906 169 D HN 0.318 nan 8.370 nan 0.000 0.530 170 L N -0.058 121.202 121.223 0.062 0.000 2.478 170 L HA 0.057 4.397 4.340 -0.000 0.000 0.223 170 L C 1.971 178.845 176.870 0.008 0.000 1.140 170 L CA 0.483 55.374 54.840 0.085 0.000 0.842 170 L CB 0.028 42.166 42.059 0.132 0.000 0.953 170 L HN -0.140 nan 8.230 nan 0.000 0.452 171 R N -1.020 119.403 120.500 -0.129 0.000 2.313 171 R HA 0.044 4.383 4.340 -0.000 0.000 0.199 171 R C -0.119 175.941 176.300 -0.400 0.000 0.958 171 R CA 0.328 56.265 56.100 -0.271 0.000 1.047 171 R CB 0.073 30.152 30.300 -0.369 0.000 0.955 171 R HN 0.337 nan 8.270 nan 0.000 0.481 172 H N 0.018 119.118 119.070 0.050 0.000 2.423 172 H HA 0.167 4.723 4.556 -0.000 0.000 0.237 172 H C 0.690 176.045 175.328 0.046 0.000 1.391 172 H CA -0.449 55.624 56.048 0.040 0.000 1.453 172 H CB 0.978 30.759 29.762 0.033 0.000 1.484 172 H HN -0.072 nan 8.280 nan 0.000 0.505 173 M N 0.573 120.245 119.600 0.120 0.000 2.374 173 M HA -0.107 4.373 4.480 -0.000 0.000 0.264 173 M C 1.569 177.921 176.300 0.087 0.000 1.067 173 M CA 0.898 56.257 55.300 0.098 0.000 1.103 173 M CB -0.446 32.199 32.600 0.075 0.000 1.402 173 M HN 0.524 nan 8.290 nan 0.000 0.444 174 D N -0.935 119.519 120.400 0.090 0.000 2.178 174 D HA -0.130 4.510 4.640 -0.000 0.000 0.202 174 D C 1.528 177.859 176.300 0.052 0.000 0.974 174 D CA 1.972 56.009 54.000 0.062 0.000 0.841 174 D CB -0.496 40.338 40.800 0.057 0.000 0.953 174 D HN 0.429 nan 8.370 nan 0.000 0.478 175 T N -1.631 112.963 114.554 0.067 0.000 3.015 175 T HA 0.064 4.414 4.350 -0.000 0.000 0.250 175 T C 2.016 176.743 174.700 0.045 0.000 1.057 175 T CA -0.260 61.866 62.100 0.043 0.000 1.066 175 T CB -0.235 68.650 68.868 0.028 0.000 0.959 175 T HN -0.022 nan 8.240 nan 0.000 0.488 176 L N 3.175 124.440 121.223 0.070 0.000 2.021 176 L HA 0.018 4.358 4.340 -0.000 0.000 0.215 176 L C -0.609 176.273 176.870 0.020 0.000 1.074 176 L CA 2.086 56.963 54.840 0.061 0.000 0.760 176 L CB -1.051 41.066 42.059 0.097 0.000 0.889 176 L HN 0.184 nan 8.230 nan 0.000 0.433 177 P HA -0.210 nan 4.420 nan 0.000 0.222 177 P C 1.303 178.594 177.300 -0.015 0.000 1.147 177 P CA 1.220 64.323 63.100 0.006 0.000 0.790 177 P CB 0.091 31.804 31.700 0.021 0.000 0.780 178 Q N 1.379 121.174 119.800 -0.009 0.000 2.049 178 Q HA -0.118 4.222 4.340 -0.000 0.000 0.198 178 Q C 2.208 178.184 176.000 -0.039 0.000 0.971 178 Q CA 1.890 57.683 55.803 -0.016 0.000 0.833 178 Q CB -0.623 28.111 28.738 -0.007 0.000 0.896 178 Q HN 0.103 nan 8.270 nan 0.000 0.434 179 K N -0.155 120.220 120.400 -0.041 0.000 2.032 179 K HA -0.123 4.197 4.320 -0.000 0.000 0.209 179 K C 1.976 178.491 176.600 -0.143 0.000 1.048 179 K CA 1.219 57.467 56.287 -0.064 0.000 0.927 179 K CB -0.260 32.218 32.500 -0.036 0.000 0.712 179 K HN 0.179 nan 8.250 nan 0.000 0.441 180 L N 1.705 122.820 121.223 -0.180 0.000 1.990 180 L HA -0.267 4.073 4.340 -0.000 0.000 0.213 180 L C 2.180 178.887 176.870 -0.272 0.000 1.072 180 L CA 2.018 56.681 54.840 -0.295 0.000 0.755 180 L CB -1.146 40.783 42.059 -0.218 0.000 0.889 180 L HN 0.302 nan 8.230 nan 0.000 0.432 181 D N -0.700 119.617 120.400 -0.139 0.000 2.116 181 D HA -0.240 4.400 4.640 -0.000 0.000 0.193 181 D C 2.204 178.419 176.300 -0.142 0.000 0.998 181 D CA 1.206 55.159 54.000 -0.078 0.000 0.836 181 D CB 0.150 40.945 40.800 -0.008 0.000 0.951 181 D HN 0.093 nan 8.370 nan 0.000 0.449 182 L N 0.129 121.271 121.223 -0.135 0.000 1.994 182 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 182 L C 2.477 179.223 176.870 -0.206 0.000 1.071 182 L CA 1.293 56.057 54.840 -0.127 0.000 0.745 182 L CB -0.775 41.236 42.059 -0.079 0.000 0.892 182 L HN 0.242 nan 8.230 nan 0.000 0.431 183 L N -1.298 119.754 121.223 -0.286 0.000 2.042 183 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 183 L C 2.426 178.855 176.870 -0.735 0.000 1.076 183 L CA 1.288 55.881 54.840 -0.411 0.000 0.749 183 L CB -0.515 41.269 42.059 -0.459 0.000 0.893 183 L HN 0.286 nan 8.230 nan 0.000 0.432 184 L N -1.492 119.234 121.223 -0.830 0.000 2.156 184 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 184 L C 2.780 179.233 176.870 -0.695 0.000 1.095 184 L CA 0.883 55.172 54.840 -0.918 0.000 0.770 184 L CB -0.473 41.006 42.059 -0.968 0.000 0.914 184 L HN 0.209 nan 8.230 nan 0.000 0.439 185 S N -0.364 115.078 115.700 -0.430 0.000 2.355 185 S HA -0.239 4.231 4.470 -0.000 0.000 0.222 185 S C 1.854 176.374 174.600 -0.134 0.000 1.031 185 S CA 1.511 59.602 58.200 -0.181 0.000 0.993 185 S CB -0.235 62.925 63.200 -0.066 0.000 0.859 185 S HN 0.463 nan 8.310 nan 0.000 0.453 186 D N 0.742 121.047 120.400 -0.159 0.000 2.104 186 D HA -0.118 4.522 4.640 -0.000 0.000 0.194 186 D C 2.037 178.273 176.300 -0.105 0.000 0.994 186 D CA 1.409 55.347 54.000 -0.104 0.000 0.830 186 D CB -0.267 40.486 40.800 -0.079 0.000 0.959 186 D HN 0.467 nan 8.370 nan 0.000 0.452 187 A N 0.917 123.626 122.820 -0.185 0.000 1.902 187 A HA -0.003 4.317 4.320 -0.000 0.000 0.217 187 A C 2.401 179.970 177.584 -0.025 0.000 1.181 187 A CA 2.271 54.186 52.037 -0.204 0.000 0.623 187 A CB -0.700 17.943 19.000 -0.594 0.000 0.818 187 A HN 0.351 nan 8.150 nan 0.000 0.443 188 A N -0.321 122.571 122.820 0.120 0.000 1.929 188 A HA 0.274 4.594 4.320 -0.000 0.000 0.216 188 A C 2.469 180.152 177.584 0.165 0.000 1.176 188 A CA 1.734 53.969 52.037 0.329 0.000 0.628 188 A CB -0.906 18.283 19.000 0.315 0.000 0.816 188 A HN 0.995 nan 8.150 nan 0.000 0.444 189 A N -0.164 122.692 122.820 0.060 0.000 1.933 189 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 189 A C 2.173 179.732 177.584 -0.041 0.000 1.175 189 A CA 2.076 54.122 52.037 0.016 0.000 0.628 189 A CB -0.384 18.610 19.000 -0.011 0.000 0.814 189 A HN 0.470 nan 8.150 nan 0.000 0.444 190 R N -0.660 119.773 120.500 -0.111 0.000 2.056 190 R HA 0.083 4.423 4.340 -0.000 0.000 0.227 190 R C -0.426 175.639 176.300 -0.392 0.000 1.149 190 R CA 1.049 56.951 56.100 -0.330 0.000 0.937 190 R CB -0.662 29.335 30.300 -0.504 0.000 0.835 190 R HN 0.346 nan 8.270 nan 0.000 0.430 191 F N 1.306 121.285 119.950 0.048 0.000 2.405 191 F HA 0.180 4.707 4.527 -0.000 0.000 0.355 191 F C 1.146 177.027 175.800 0.135 0.000 1.121 191 F CA -0.758 57.291 58.000 0.081 0.000 1.112 191 F CB 1.752 40.795 39.000 0.071 0.000 1.126 191 F HN 0.198 nan 8.300 nan 0.000 0.481 192 Q N 1.622 121.582 119.800 0.266 0.000 2.297 192 Q HA 0.014 4.354 4.340 -0.000 0.000 0.204 192 Q C 1.898 178.023 176.000 0.208 0.000 0.962 192 Q CA 1.392 57.312 55.803 0.195 0.000 0.879 192 Q CB -0.602 28.213 28.738 0.129 0.000 0.947 192 Q HN 0.778 nan 8.270 nan 0.000 0.462 193 G N -0.150 108.797 108.800 0.245 0.000 2.534 193 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.217 193 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.217 193 G C -0.252 174.791 174.900 0.239 0.000 1.128 193 G CA -0.518 44.697 45.100 0.191 0.000 0.784 193 G HN 0.427 nan 8.290 nan 0.000 0.542 194 F N 1.939 121.972 119.950 0.137 0.000 2.487 194 F HA 0.348 4.875 4.527 -0.000 0.000 0.364 194 F C 0.116 175.996 175.800 0.133 0.000 1.126 194 F CA -1.064 57.013 58.000 0.129 0.000 1.135 194 F CB 0.466 39.563 39.000 0.161 0.000 1.127 194 F HN -0.168 nan 8.300 nan 0.000 0.559 195 K N 6.722 126.980 120.400 -0.237 0.000 2.237 195 K HA 0.005 4.325 4.320 -0.000 0.000 0.283 195 K C -1.181 175.152 176.600 -0.444 0.000 1.080 195 K CA 0.127 56.268 56.287 -0.243 0.000 0.965 195 K CB -0.285 32.137 32.500 -0.129 0.000 1.098 195 K HN 0.438 nan 8.250 nan 0.000 0.434 196 Y N 2.492 122.503 120.300 -0.481 0.000 2.328 196 Y HA 0.377 4.927 4.550 -0.000 0.000 0.337 196 Y C -0.374 175.405 175.900 -0.201 0.000 0.966 196 Y CA -1.132 56.713 58.100 -0.424 0.000 1.136 196 Y CB 0.807 39.086 38.460 -0.302 0.000 1.170 196 Y HN 0.608 nan 8.280 nan 0.000 0.470 197 T N 3.735 118.035 114.554 -0.424 0.000 2.906 197 T HA 0.417 4.767 4.350 -0.000 0.000 0.295 197 T C -2.501 171.902 174.700 -0.495 0.000 1.061 197 T CA -2.345 59.493 62.100 -0.437 0.000 1.000 197 T CB 2.213 70.958 68.868 -0.204 0.000 1.103 197 T HN 0.276 nan 8.240 nan 0.000 0.486 198 P HA -0.001 nan 4.420 nan 0.000 0.225 198 P C 1.197 178.420 177.300 -0.128 0.000 1.148 198 P CA 0.655 63.601 63.100 -0.256 0.000 0.779 198 P CB 0.195 31.784 31.700 -0.185 0.000 0.780 199 E N -1.219 118.913 120.200 -0.113 0.000 2.122 199 E HA -0.011 4.339 4.350 -0.000 0.000 0.190 199 E C 1.642 178.233 176.600 -0.015 0.000 0.977 199 E CA 1.033 57.401 56.400 -0.053 0.000 0.820 199 E CB -0.631 29.038 29.700 -0.051 0.000 0.770 199 E HN 0.267 nan 8.360 nan 0.000 0.462 200 M N 0.613 120.205 119.600 -0.013 0.000 2.476 200 M HA 0.032 4.511 4.480 -0.000 0.000 0.262 200 M C 2.064 178.428 176.300 0.108 0.000 1.079 200 M CA 0.509 55.842 55.300 0.054 0.000 1.104 200 M CB -0.267 32.370 32.600 0.062 0.000 1.409 200 M HN 0.048 nan 8.290 nan 0.000 0.467 201 L N -0.514 120.767 121.223 0.096 0.000 2.023 201 L HA -0.160 4.180 4.340 -0.000 0.000 0.205 201 L C 2.274 179.190 176.870 0.077 0.000 1.073 201 L CA 1.323 56.233 54.840 0.117 0.000 0.745 201 L CB -0.164 41.961 42.059 0.109 0.000 0.900 201 L HN 0.165 nan 8.230 nan 0.000 0.435 202 R N -0.346 120.182 120.500 0.047 0.000 2.189 202 R HA -0.195 4.145 4.340 -0.000 0.000 0.223 202 R C 2.025 178.360 176.300 0.058 0.000 1.092 202 R CA 1.267 57.392 56.100 0.042 0.000 0.989 202 R CB -0.284 30.026 30.300 0.017 0.000 0.876 202 R HN 0.522 nan 8.270 nan 0.000 0.457 203 E N 1.666 121.908 120.200 0.069 0.000 2.017 203 E HA -0.213 4.136 4.350 -0.000 0.000 0.193 203 E C 1.511 178.188 176.600 0.127 0.000 0.997 203 E CA 1.261 57.710 56.400 0.082 0.000 0.804 203 E CB 0.124 29.877 29.700 0.089 0.000 0.757 203 E HN 0.338 nan 8.360 nan 0.000 0.448 204 E N -0.107 120.208 120.200 0.192 0.000 2.268 204 E HA -0.114 4.236 4.350 -0.000 0.000 0.195 204 E C 2.116 178.913 176.600 0.329 0.000 0.995 204 E CA 0.568 57.166 56.400 0.330 0.000 0.836 204 E CB 0.314 30.250 29.700 0.392 0.000 0.763 204 E HN 0.182 nan 8.360 nan 0.000 0.491 205 V N 1.697 121.724 119.914 0.188 0.000 2.307 205 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 205 V C 2.175 178.348 176.094 0.132 0.000 1.045 205 V CA 1.616 64.008 62.300 0.154 0.000 1.024 205 V CB -0.276 31.600 31.823 0.087 0.000 0.651 205 V HN 0.179 nan 8.190 nan 0.000 0.449 206 E N 0.296 120.542 120.200 0.077 0.000 2.107 206 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 206 E C 2.322 178.899 176.600 -0.039 0.000 0.982 206 E CA 1.354 57.766 56.400 0.020 0.000 0.809 206 E CB -0.512 29.189 29.700 0.001 0.000 0.756 206 E HN 0.553 nan 8.360 nan 0.000 0.459 207 A N 0.589 123.385 122.820 -0.039 0.000 1.858 207 A HA -0.185 4.134 4.320 -0.000 0.000 0.216 207 A C 1.982 179.282 177.584 -0.473 0.000 1.190 207 A CA 1.248 53.128 52.037 -0.261 0.000 0.617 207 A CB -0.985 17.946 19.000 -0.115 0.000 0.827 207 A HN 0.241 nan 8.150 nan 0.000 0.443 208 Y N -0.010 120.282 120.300 -0.014 0.000 2.574 208 Y HA -0.091 4.458 4.550 -0.000 0.000 0.294 208 Y C 2.326 178.298 175.900 0.119 0.000 1.142 208 Y CA 1.596 59.825 58.100 0.214 0.000 1.314 208 Y CB 0.007 38.693 38.460 0.376 0.000 0.991 208 Y HN 0.383 nan 8.280 nan 0.000 0.555 209 K N 0.186 120.656 120.400 0.116 0.000 2.062 209 K HA -0.139 4.181 4.320 -0.000 0.000 0.205 209 K C 2.004 178.604 176.600 -0.000 0.000 1.051 209 K CA 0.848 57.178 56.287 0.073 0.000 0.941 209 K CB 0.155 32.676 32.500 0.036 0.000 0.719 209 K HN 0.068 nan 8.250 nan 0.000 0.440 210 R N 0.047 120.468 120.500 -0.131 0.000 2.081 210 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 210 R C 2.262 178.493 176.300 -0.115 0.000 1.131 210 R CA 1.515 57.503 56.100 -0.186 0.000 0.960 210 R CB -1.121 28.981 30.300 -0.330 0.000 0.856 210 R HN 0.452 nan 8.270 nan 0.000 0.436 211 Y N 0.890 121.164 120.300 -0.044 0.000 2.224 211 Y HA -0.155 4.395 4.550 -0.000 0.000 0.289 211 Y C 2.588 178.569 175.900 0.134 0.000 1.146 211 Y CA 0.533 58.655 58.100 0.036 0.000 1.182 211 Y CB -0.251 38.211 38.460 0.003 0.000 0.983 211 Y HN 0.122 nan 8.280 nan 0.000 0.524 212 A N 0.319 123.302 122.820 0.270 0.000 1.898 212 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 212 A C 1.774 179.430 177.584 0.119 0.000 1.181 212 A CA 1.955 54.114 52.037 0.204 0.000 0.620 212 A CB -0.556 18.545 19.000 0.169 0.000 0.819 212 A HN 0.336 nan 8.150 nan 0.000 0.442 213 D N -0.787 119.649 120.400 0.060 0.000 2.117 213 D HA -0.125 4.515 4.640 -0.000 0.000 0.198 213 D C 2.133 178.426 176.300 -0.012 0.000 0.982 213 D CA 1.523 55.527 54.000 0.008 0.000 0.828 213 D CB -0.226 40.560 40.800 -0.024 0.000 0.967 213 D HN 0.415 nan 8.370 nan 0.000 0.464 214 R N 0.868 121.349 120.500 -0.032 0.000 2.073 214 R HA -0.051 4.289 4.340 -0.000 0.000 0.229 214 R C 2.056 178.393 176.300 0.062 0.000 1.120 214 R CA 0.775 56.810 56.100 -0.109 0.000 0.967 214 R CB -0.864 29.203 30.300 -0.389 0.000 0.862 214 R HN 0.122 nan 8.270 nan 0.000 0.436 215 L N 0.936 122.337 121.223 0.297 0.000 2.291 215 L HA 0.014 4.354 4.340 -0.000 0.000 0.214 215 L C 1.813 178.832 176.870 0.248 0.000 1.120 215 L CA 1.491 56.637 54.840 0.511 0.000 0.799 215 L CB -0.476 41.894 42.059 0.518 0.000 0.925 215 L HN 0.226 nan 8.230 nan 0.000 0.446 216 E N 0.478 120.744 120.200 0.109 0.000 2.086 216 E HA -0.248 4.102 4.350 -0.000 0.000 0.205 216 E C -0.108 176.480 176.600 -0.020 0.000 1.027 216 E CA 2.412 58.831 56.400 0.033 0.000 0.830 216 E CB -1.515 28.184 29.700 -0.002 0.000 0.751 216 E HN 0.402 nan 8.360 nan 0.000 0.456 217 P HA -0.128 nan 4.420 nan 0.000 0.218 217 P C 1.062 178.261 177.300 -0.168 0.000 1.148 217 P CA 1.163 64.144 63.100 -0.198 0.000 0.822 217 P CB -0.194 31.299 31.700 -0.346 0.000 0.784 218 Y N -0.438 119.865 120.300 0.005 0.000 2.163 218 Y HA -0.029 4.521 4.550 -0.000 0.000 0.288 218 Y C 1.401 177.276 175.900 -0.042 0.000 1.136 218 Y CA -0.110 57.980 58.100 -0.017 0.000 1.147 218 Y CB -1.518 36.952 38.460 0.016 0.000 0.987 218 Y HN -0.143 nan 8.280 nan 0.000 0.509 219 I N 2.477 123.130 120.570 0.138 0.000 2.943 219 I HA -0.062 4.108 4.170 -0.000 0.000 0.296 219 I C 0.220 176.346 176.117 0.015 0.000 1.220 219 I CA 0.800 62.137 61.300 0.062 0.000 1.409 219 I CB -0.559 37.471 38.000 0.050 0.000 1.374 219 I HN 0.184 nan 8.210 nan 0.000 0.545 220 T N 0.890 115.443 114.554 -0.001 0.000 2.868 220 T HA 0.199 4.548 4.350 -0.000 0.000 0.306 220 T C -0.688 174.022 174.700 0.016 0.000 1.224 220 T CA -1.039 61.047 62.100 -0.023 0.000 1.012 220 T CB 2.018 70.817 68.868 -0.115 0.000 1.221 220 T HN 0.409 nan 8.240 nan 0.000 0.499 221 D N 1.178 121.607 120.400 0.049 0.000 2.367 221 D HA 0.214 4.853 4.640 -0.000 0.000 0.255 221 D C 1.247 177.637 176.300 0.150 0.000 1.300 221 D CA 0.228 54.292 54.000 0.108 0.000 0.959 221 D CB 0.702 41.600 40.800 0.164 0.000 1.064 221 D HN 0.560 nan 8.370 nan 0.000 0.509 222 T N 2.434 117.066 114.554 0.130 0.000 2.652 222 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 222 T C 2.052 176.871 174.700 0.199 0.000 1.039 222 T CA 1.225 63.428 62.100 0.171 0.000 1.153 222 T CB 0.048 68.984 68.868 0.114 0.000 0.863 222 T HN 0.301 nan 8.240 nan 0.000 0.428 223 V N 1.263 121.271 119.914 0.157 0.000 2.252 223 V HA -0.240 3.880 4.120 -0.000 0.000 0.249 223 V C 2.348 178.555 176.094 0.188 0.000 1.056 223 V CA 2.246 64.630 62.300 0.140 0.000 1.022 223 V CB -0.791 31.098 31.823 0.110 0.000 0.641 223 V HN 0.561 nan 8.190 nan 0.000 0.445 224 H N -0.239 118.887 119.070 0.094 0.000 2.293 224 H HA -0.203 4.353 4.556 -0.000 0.000 0.300 224 H C 2.055 177.448 175.328 0.108 0.000 1.082 224 H CA 2.181 58.281 56.048 0.088 0.000 1.308 224 H CB -0.661 29.157 29.762 0.093 0.000 1.375 224 H HN 0.354 nan 8.280 nan 0.000 0.495 225 F N 1.221 121.166 119.950 -0.008 0.000 2.043 225 F HA -0.234 4.293 4.527 -0.000 0.000 0.297 225 F C 2.384 178.184 175.800 -0.001 0.000 1.121 225 F CA 1.701 59.647 58.000 -0.089 0.000 1.199 225 F CB -0.685 38.279 39.000 -0.060 0.000 0.968 225 F HN 0.143 nan 8.300 nan 0.000 0.478 226 I N 0.847 121.353 120.570 -0.107 0.000 2.127 226 I HA -0.353 3.817 4.170 -0.000 0.000 0.241 226 I C 2.158 178.184 176.117 -0.151 0.000 1.075 226 I CA 1.589 62.775 61.300 -0.190 0.000 1.334 226 I CB -1.762 36.238 38.000 0.001 0.000 1.040 226 I HN 0.252 nan 8.210 nan 0.000 0.405 227 N N 0.895 119.580 118.700 -0.025 0.000 2.120 227 N HA -0.216 4.524 4.740 -0.000 0.000 0.188 227 N C 1.661 177.168 175.510 -0.005 0.000 1.024 227 N CA 1.657 54.709 53.050 0.005 0.000 0.852 227 N CB -0.556 37.963 38.487 0.054 0.000 1.003 227 N HN 0.420 nan 8.380 nan 0.000 0.424 228 D N 0.165 120.583 120.400 0.029 0.000 2.097 228 D HA -0.012 4.628 4.640 -0.000 0.000 0.195 228 D C 1.747 177.991 176.300 -0.093 0.000 0.989 228 D CA 1.069 55.085 54.000 0.026 0.000 0.827 228 D CB 0.020 40.867 40.800 0.078 0.000 0.966 228 D HN 0.036 nan 8.370 nan 0.000 0.456 229 S N -0.461 115.086 115.700 -0.254 0.000 2.370 229 S HA -0.142 4.328 4.470 -0.000 0.000 0.226 229 S C 2.096 176.604 174.600 -0.154 0.000 1.033 229 S CA 0.735 58.759 58.200 -0.293 0.000 1.011 229 S CB -0.288 62.554 63.200 -0.596 0.000 0.852 229 S HN 0.334 nan 8.310 nan 0.000 0.457 230 I N 1.951 122.446 120.570 -0.125 0.000 2.226 230 I HA -0.197 3.973 4.170 -0.000 0.000 0.245 230 I C 2.602 178.696 176.117 -0.037 0.000 1.100 230 I CA 1.452 62.715 61.300 -0.061 0.000 1.374 230 I CB -0.518 37.457 38.000 -0.041 0.000 1.057 230 I HN 0.372 nan 8.210 nan 0.000 0.413 231 S N -0.080 115.602 115.700 -0.030 0.000 2.447 231 S HA -0.139 4.331 4.470 -0.000 0.000 0.233 231 S C 1.737 176.327 174.600 -0.017 0.000 1.006 231 S CA 0.583 58.773 58.200 -0.015 0.000 0.957 231 S CB -0.245 62.953 63.200 -0.003 0.000 0.773 231 S HN 0.399 nan 8.310 nan 0.000 0.507 232 Q N 0.902 120.685 119.800 -0.028 0.000 2.466 232 Q HA 0.175 4.515 4.340 -0.000 0.000 0.210 232 Q C -0.046 175.939 176.000 -0.025 0.000 0.961 232 Q CA 0.256 56.044 55.803 -0.024 0.000 0.953 232 Q CB -0.219 28.500 28.738 -0.032 0.000 1.011 232 Q HN 0.463 nan 8.270 nan 0.000 0.516 233 K N -0.319 120.065 120.400 -0.026 0.000 3.281 233 K HA -0.122 4.198 4.320 -0.000 0.000 0.295 233 K C -0.385 176.200 176.600 -0.025 0.000 1.233 233 K CA 0.572 56.845 56.287 -0.023 0.000 0.866 233 K CB -1.429 31.060 32.500 -0.019 0.000 1.265 233 K HN 0.165 nan 8.250 nan 0.000 0.482 234 K N 1.453 121.834 120.400 -0.032 0.000 2.218 234 K HA 0.227 4.547 4.320 -0.000 0.000 0.276 234 K C 0.473 177.075 176.600 0.003 0.000 1.022 234 K CA -0.451 55.822 56.287 -0.023 0.000 0.946 234 K CB 0.698 33.170 32.500 -0.046 0.000 1.000 234 K HN -0.085 nan 8.250 nan 0.000 0.468 235 K N 0.917 121.333 120.400 0.026 0.000 2.322 235 K HA 0.246 4.565 4.320 -0.000 0.000 0.283 235 K C -0.459 176.318 176.600 0.295 0.000 1.042 235 K CA -0.259 56.087 56.287 0.097 0.000 0.958 235 K CB 0.812 33.246 32.500 -0.110 0.000 0.984 235 K HN 0.172 nan 8.250 nan 0.000 0.473 236 V N 4.398 124.525 119.914 0.355 0.000 2.483 236 V HA 0.327 4.446 4.120 -0.000 0.000 0.297 236 V C -1.240 174.915 176.094 0.101 0.000 1.027 236 V CA -0.969 61.466 62.300 0.225 0.000 0.855 236 V CB 1.489 33.362 31.823 0.083 0.000 0.995 236 V HN 0.496 nan 8.190 nan 0.000 0.424 237 L N 7.120 128.210 121.223 -0.222 0.000 2.295 237 L HA 0.607 4.947 4.340 -0.000 0.000 0.281 237 L C -0.230 176.478 176.870 -0.271 0.000 1.018 237 L CA 0.050 54.525 54.840 -0.609 0.000 0.841 237 L CB 1.491 42.773 42.059 -1.294 0.000 1.218 237 L HN 0.455 nan 8.230 nan 0.000 0.424 238 V N 4.296 124.110 119.914 -0.166 0.000 2.614 238 V HA 0.236 4.356 4.120 -0.000 0.000 0.291 238 V C 0.353 176.394 176.094 -0.088 0.000 1.049 238 V CA -0.485 61.764 62.300 -0.085 0.000 1.038 238 V CB 1.194 32.994 31.823 -0.039 0.000 0.980 238 V HN 0.809 nan 8.190 nan 0.000 0.481 239 E N 3.353 123.523 120.200 -0.050 0.000 2.113 239 E HA 0.511 4.861 4.350 -0.000 0.000 0.273 239 E C 0.264 176.874 176.600 0.017 0.000 0.924 239 E CA -0.598 55.789 56.400 -0.022 0.000 0.764 239 E CB 1.288 30.987 29.700 -0.001 0.000 1.104 239 E HN 0.853 nan 8.360 nan 0.000 0.406 240 G N 2.837 111.647 108.800 0.016 0.000 2.378 240 G HA2 0.247 4.206 3.960 -0.000 0.000 0.255 240 G HA3 0.247 4.206 3.960 -0.000 0.000 0.255 240 G C 0.819 175.763 174.900 0.072 0.000 1.270 240 G CA -0.015 45.103 45.100 0.031 0.000 0.876 240 G HN 0.711 nan 8.290 nan 0.000 0.521 241 G N 1.495 110.338 108.800 0.072 0.000 2.575 241 G HA2 0.035 3.995 3.960 -0.000 0.000 0.215 241 G HA3 0.035 3.995 3.960 -0.000 0.000 0.215 241 G C 0.812 175.768 174.900 0.095 0.000 1.262 241 G CA 0.939 46.102 45.100 0.105 0.000 0.807 241 G HN 0.627 nan 8.290 nan 0.000 0.567 242 Q N -1.722 118.103 119.800 0.041 0.000 3.323 242 Q HA 0.651 4.991 4.340 -0.000 0.000 0.329 242 Q C -0.586 175.405 176.000 -0.016 0.000 0.939 242 Q CA -0.845 54.964 55.803 0.010 0.000 0.828 242 Q CB 1.456 30.210 28.738 0.028 0.000 1.564 242 Q HN 0.392 nan 8.270 nan 0.000 0.463 243 A N 0.047 122.847 122.820 -0.033 0.000 2.282 243 A HA 0.363 4.683 4.320 -0.000 0.000 0.319 243 A C 0.815 178.356 177.584 -0.072 0.000 1.121 243 A CA 0.144 52.139 52.037 -0.071 0.000 0.836 243 A CB 0.571 19.492 19.000 -0.131 0.000 1.146 243 A HN 0.787 nan 8.150 nan 0.000 0.494 244 T N -0.887 113.621 114.554 -0.078 0.000 2.962 244 T HA -0.098 4.252 4.350 -0.000 0.000 0.270 244 T C 1.208 175.865 174.700 -0.073 0.000 1.088 244 T CA 1.484 63.559 62.100 -0.042 0.000 1.127 244 T CB -0.336 68.504 68.868 -0.048 0.000 0.883 244 T HN 0.397 nan 8.240 nan 0.000 0.493 245 M N 0.479 119.899 119.600 -0.300 0.000 2.659 245 M HA 0.348 4.828 4.480 -0.000 0.000 0.243 245 M C 1.340 177.558 176.300 -0.137 0.000 1.111 245 M CA 0.453 55.480 55.300 -0.456 0.000 1.070 245 M CB -0.903 30.811 32.600 -1.476 0.000 1.525 245 M HN 0.354 nan 8.290 nan 0.000 0.517 246 L N -1.086 120.113 121.223 -0.040 0.000 2.857 246 L HA 0.205 4.545 4.340 -0.000 0.000 0.249 246 L C 0.662 177.572 176.870 0.066 0.000 1.172 246 L CA -0.236 54.657 54.840 0.088 0.000 0.980 246 L CB 0.220 42.331 42.059 0.088 0.000 1.299 246 L HN 0.143 nan 8.230 nan 0.000 0.535 247 D N 0.826 121.264 120.400 0.063 0.000 2.382 247 D HA -0.039 4.601 4.640 -0.000 0.000 0.245 247 D C 1.114 177.427 176.300 0.022 0.000 1.120 247 D CA -0.083 53.942 54.000 0.042 0.000 0.890 247 D CB 1.906 42.773 40.800 0.111 0.000 1.201 247 D HN 0.006 nan 8.370 nan 0.000 0.433 248 I N 3.201 123.741 120.570 -0.048 0.000 2.423 248 I HA -0.226 3.944 4.170 -0.000 0.000 0.254 248 I C 1.315 177.384 176.117 -0.081 0.000 1.151 248 I CA 1.550 62.829 61.300 -0.034 0.000 1.421 248 I CB 0.041 37.975 38.000 -0.108 0.000 1.079 248 I HN 0.391 nan 8.210 nan 0.000 0.431 249 D N -0.672 119.569 120.400 -0.265 0.000 2.652 249 D HA 0.058 4.698 4.640 -0.000 0.000 0.261 249 D C 1.769 177.876 176.300 -0.321 0.000 1.024 249 D CA 1.076 54.794 54.000 -0.470 0.000 0.958 249 D CB -0.190 40.019 40.800 -0.984 0.000 1.113 249 D HN 0.363 nan 8.370 nan 0.000 0.471 250 F N 1.456 121.470 119.950 0.107 0.000 2.811 250 F HA 0.243 4.770 4.527 -0.000 0.000 0.301 250 F C 1.753 177.714 175.800 0.268 0.000 1.151 250 F CA -0.388 57.750 58.000 0.230 0.000 1.412 250 F CB 0.015 39.104 39.000 0.149 0.000 1.113 250 F HN -0.122 nan 8.300 nan 0.000 0.579 251 G N 0.277 109.245 108.800 0.280 0.000 2.504 251 G HA2 0.272 4.232 3.960 -0.000 0.000 0.257 251 G HA3 0.272 4.232 3.960 -0.000 0.000 0.257 251 G C 0.209 175.308 174.900 0.332 0.000 1.451 251 G CA -0.049 45.202 45.100 0.251 0.000 1.059 251 G HN 0.135 nan 8.290 nan 0.000 0.550 252 T N -2.221 112.569 114.554 0.392 0.000 3.273 252 T HA 0.270 4.619 4.350 -0.000 0.000 0.242 252 T C -0.012 174.927 174.700 0.398 0.000 1.228 252 T CA -0.566 61.801 62.100 0.445 0.000 1.173 252 T CB -0.642 68.546 68.868 0.534 0.000 1.134 252 T HN 0.341 nan 8.240 nan 0.000 0.635 253 Y N 3.759 124.175 120.300 0.193 0.000 2.904 253 Y HA 0.100 4.650 4.550 -0.000 0.000 0.336 253 Y C -1.161 174.801 175.900 0.103 0.000 1.263 253 Y CA -1.247 56.913 58.100 0.101 0.000 1.547 253 Y CB 0.844 39.331 38.460 0.046 0.000 1.272 253 Y HN 0.291 nan 8.280 nan 0.000 0.596 254 P HA 0.024 nan 4.420 nan 0.000 0.257 254 P C -0.652 176.243 177.300 -0.674 0.000 1.325 254 P CA 0.471 62.928 63.100 -1.071 0.000 0.850 254 P CB -0.317 30.721 31.700 -1.102 0.000 1.324 255 F N 1.678 121.570 119.950 -0.096 0.000 2.660 255 F HA 0.172 4.699 4.527 -0.000 0.000 0.342 255 F C 1.095 176.932 175.800 0.063 0.000 1.195 255 F CA -0.515 57.479 58.000 -0.011 0.000 1.300 255 F CB 0.029 39.039 39.000 0.016 0.000 1.616 255 F HN -0.174 nan 8.300 nan 0.000 0.592 256 V N -3.456 116.522 119.914 0.107 0.000 3.165 256 V HA 0.638 4.757 4.120 -0.000 0.000 0.309 256 V C -0.203 175.920 176.094 0.048 0.000 1.267 256 V CA -0.872 61.503 62.300 0.125 0.000 1.067 256 V CB 1.497 33.404 31.823 0.140 0.000 1.082 256 V HN 0.033 nan 8.190 nan 0.000 0.451 257 T N -0.437 114.139 114.554 0.037 0.000 2.862 257 T HA 0.369 4.719 4.350 -0.000 0.000 0.276 257 T C 1.074 175.736 174.700 -0.064 0.000 0.974 257 T CA 0.449 62.546 62.100 -0.005 0.000 0.966 257 T CB 1.348 70.217 68.868 0.003 0.000 1.072 257 T HN 0.920 nan 8.240 nan 0.000 0.538 258 S N 0.898 116.528 115.700 -0.117 0.000 2.561 258 S HA 0.087 4.557 4.470 -0.000 0.000 0.225 258 S C 1.047 175.314 174.600 -0.555 0.000 0.977 258 S CA 0.099 58.149 58.200 -0.250 0.000 0.926 258 S CB -0.166 62.935 63.200 -0.164 0.000 0.769 258 S HN 0.787 nan 8.310 nan 0.000 0.533 259 S N 0.645 116.062 115.700 -0.471 0.000 2.677 259 S HA 0.554 5.024 4.470 -0.000 0.000 0.290 259 S C -0.134 174.329 174.600 -0.228 0.000 1.124 259 S CA -0.752 57.156 58.200 -0.486 0.000 1.017 259 S CB 1.049 64.067 63.200 -0.304 0.000 1.215 259 S HN -0.017 nan 8.310 nan 0.000 0.524 260 S N 2.242 117.853 115.700 -0.148 0.000 2.406 260 S HA 0.399 4.869 4.470 -0.000 0.000 0.224 260 S C -2.392 172.199 174.600 -0.014 0.000 1.426 260 S CA -0.966 57.192 58.200 -0.070 0.000 1.179 260 S CB 0.994 64.157 63.200 -0.062 0.000 1.042 260 S HN 0.516 nan 8.310 nan 0.000 0.479 261 P HA 0.031 nan 4.420 nan 0.000 0.239 261 P C 0.229 177.543 177.300 0.024 0.000 1.184 261 P CA 0.576 63.685 63.100 0.015 0.000 0.760 261 P CB 0.167 31.874 31.700 0.012 0.000 0.884 262 S N -0.434 115.291 115.700 0.041 0.000 2.626 262 S HA 0.269 4.739 4.470 -0.000 0.000 0.257 262 S C 1.777 176.363 174.600 -0.022 0.000 1.288 262 S CA 0.052 58.264 58.200 0.020 0.000 0.980 262 S CB 0.263 63.544 63.200 0.133 0.000 0.975 262 S HN 0.050 nan 8.310 nan 0.000 0.577 263 A N 0.888 123.649 122.820 -0.098 0.000 1.969 263 A HA 0.066 4.386 4.320 -0.000 0.000 0.218 263 A C 2.173 179.728 177.584 -0.049 0.000 1.169 263 A CA 1.656 53.633 52.037 -0.100 0.000 0.635 263 A CB -1.395 17.489 19.000 -0.193 0.000 0.810 263 A HN 0.875 nan 8.150 nan 0.000 0.445 264 G N -0.276 108.511 108.800 -0.022 0.000 2.422 264 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.218 264 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.218 264 G C 1.486 176.392 174.900 0.010 0.000 1.146 264 G CA 1.140 46.244 45.100 0.007 0.000 0.769 264 G HN 0.707 nan 8.290 nan 0.000 0.547 265 G N 0.858 109.665 108.800 0.012 0.000 2.479 265 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.220 265 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.220 265 G C 1.674 176.582 174.900 0.013 0.000 1.115 265 G CA 0.685 45.791 45.100 0.010 0.000 0.757 265 G HN 0.483 nan 8.290 nan 0.000 0.560 266 I N 0.133 120.707 120.570 0.007 0.000 2.315 266 I HA -0.158 4.012 4.170 -0.000 0.000 0.248 266 I C 2.659 178.784 176.117 0.012 0.000 1.117 266 I CA 0.529 61.833 61.300 0.008 0.000 1.404 266 I CB -0.261 37.738 38.000 -0.002 0.000 1.071 266 I HN 0.190 nan 8.210 nan 0.000 0.419 267 C N 0.311 119.616 119.300 0.008 0.000 2.518 267 C HA -0.105 4.355 4.460 -0.000 0.000 0.279 267 C C 3.112 178.114 174.990 0.020 0.000 1.279 267 C CA 1.491 60.516 59.018 0.012 0.000 1.703 267 C CB -1.213 26.529 27.740 0.005 0.000 2.072 267 C HN 0.583 nan 8.230 nan 0.000 0.487 268 T N -1.231 113.335 114.554 0.020 0.000 2.995 268 T HA 0.041 4.390 4.350 -0.000 0.000 0.269 268 T C 1.615 176.339 174.700 0.039 0.000 1.091 268 T CA 1.643 63.759 62.100 0.027 0.000 1.128 268 T CB -0.406 68.473 68.868 0.019 0.000 0.891 268 T HN 0.535 nan 8.240 nan 0.000 0.492 269 G N 0.096 108.919 108.800 0.039 0.000 3.088 269 G HA2 0.447 4.406 3.960 -0.000 0.000 0.217 269 G HA3 0.447 4.406 3.960 -0.000 0.000 0.217 269 G C 1.082 176.012 174.900 0.050 0.000 1.159 269 G CA -0.116 45.014 45.100 0.050 0.000 0.760 269 G HN 0.532 nan 8.290 nan 0.000 0.550 270 L N -1.523 119.728 121.223 0.045 0.000 3.154 270 L HA 0.318 4.658 4.340 -0.000 0.000 0.280 270 L C 1.568 178.470 176.870 0.053 0.000 1.134 270 L CA 0.393 55.263 54.840 0.050 0.000 1.037 270 L CB 0.782 42.866 42.059 0.042 0.000 1.571 270 L HN 0.224 nan 8.230 nan 0.000 0.576 271 G N 1.940 110.767 108.800 0.044 0.000 2.165 271 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.226 271 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.226 271 G C -0.094 174.825 174.900 0.032 0.000 1.035 271 G CA -0.153 44.972 45.100 0.041 0.000 0.744 271 G HN 0.225 nan 8.290 nan 0.000 0.501 272 I N 0.998 121.583 120.570 0.024 0.000 2.359 272 I HA 0.601 4.771 4.170 -0.000 0.000 0.294 272 I C 0.978 177.101 176.117 0.010 0.000 0.987 272 I CA -0.679 60.631 61.300 0.016 0.000 1.225 272 I CB 1.747 39.755 38.000 0.014 0.000 1.366 272 I HN 0.300 nan 8.210 nan 0.000 0.466 273 A N 7.755 130.579 122.820 0.007 0.000 2.407 273 A HA 0.330 4.650 4.320 -0.000 0.000 0.248 273 A C -1.744 175.838 177.584 -0.002 0.000 1.082 273 A CA -1.026 51.012 52.037 0.002 0.000 0.785 273 A CB -0.075 18.926 19.000 0.001 0.000 1.020 273 A HN 0.561 nan 8.150 nan 0.000 0.489 274 P HA -0.182 nan 4.420 nan 0.000 0.216 274 P C 1.628 178.919 177.300 -0.015 0.000 1.150 274 P CA 2.078 65.169 63.100 -0.016 0.000 0.837 274 P CB 0.072 31.760 31.700 -0.021 0.000 0.786 275 S N -1.764 113.930 115.700 -0.011 0.000 2.474 275 S HA -0.068 4.401 4.470 -0.000 0.000 0.235 275 S C 1.792 176.389 174.600 -0.005 0.000 0.997 275 S CA 0.968 59.162 58.200 -0.009 0.000 0.949 275 S CB -1.426 61.769 63.200 -0.008 0.000 0.766 275 S HN -0.018 nan 8.310 nan 0.000 0.517 276 V N 1.277 121.190 119.914 -0.002 0.000 2.725 276 V HA 0.108 4.227 4.120 -0.000 0.000 0.247 276 V C 1.064 177.163 176.094 0.008 0.000 1.058 276 V CA 0.309 62.611 62.300 0.003 0.000 1.080 276 V CB -0.460 31.366 31.823 0.004 0.000 0.713 276 V HN 0.401 nan 8.190 nan 0.000 0.465 277 V N 2.023 121.939 119.914 0.004 0.000 2.493 277 V HA 0.341 4.461 4.120 -0.000 0.000 0.292 277 V C 1.202 177.304 176.094 0.013 0.000 1.016 277 V CA 0.739 63.043 62.300 0.007 0.000 1.097 277 V CB -0.080 31.739 31.823 -0.006 0.000 0.947 277 V HN 0.386 nan 8.190 nan 0.000 0.479 278 G N 3.849 112.668 108.800 0.032 0.000 2.666 278 G HA2 0.160 4.120 3.960 -0.000 0.000 0.207 278 G HA3 0.160 4.120 3.960 -0.000 0.000 0.207 278 G C -0.209 174.721 174.900 0.049 0.000 1.481 278 G CA -0.590 44.535 45.100 0.042 0.000 1.071 278 G HN 0.642 nan 8.290 nan 0.000 0.572 279 D N 0.745 121.188 120.400 0.072 0.000 2.450 279 D HA 0.180 4.820 4.640 -0.000 0.000 0.247 279 D C 0.081 176.446 176.300 0.109 0.000 1.162 279 D CA 0.652 54.707 54.000 0.091 0.000 0.879 279 D CB 1.015 41.879 40.800 0.107 0.000 1.163 279 D HN 0.020 nan 8.370 nan 0.000 0.472 280 L N 3.316 124.621 121.223 0.138 0.000 2.307 280 L HA 0.457 4.796 4.340 -0.000 0.000 0.284 280 L C 0.306 177.356 176.870 0.300 0.000 1.023 280 L CA -0.781 54.183 54.840 0.207 0.000 0.810 280 L CB 1.290 43.471 42.059 0.205 0.000 1.231 280 L HN 0.144 nan 8.230 nan 0.000 0.423 281 I N 2.298 122.958 120.570 0.150 0.000 2.321 281 I HA 0.322 4.492 4.170 -0.000 0.000 0.291 281 I C 0.691 176.601 176.117 -0.346 0.000 0.998 281 I CA -0.329 60.956 61.300 -0.025 0.000 1.227 281 I CB 1.656 39.624 38.000 -0.052 0.000 1.368 281 I HN 0.620 nan 8.210 nan 0.000 0.466 282 G N 6.035 114.303 108.800 -0.887 0.000 2.327 282 G HA2 0.454 4.413 3.960 -0.000 0.000 0.302 282 G HA3 0.454 4.413 3.960 -0.000 0.000 0.302 282 G C -0.352 174.179 174.900 -0.615 0.000 1.113 282 G CA -0.306 43.945 45.100 -1.416 0.000 0.921 282 G HN 0.382 nan 8.290 nan 0.000 0.425 283 V N 3.877 123.542 119.914 -0.415 0.000 2.372 283 V HA 0.254 4.374 4.120 -0.000 0.000 0.261 283 V C 0.456 176.422 176.094 -0.213 0.000 1.055 283 V CA -0.454 61.695 62.300 -0.252 0.000 0.930 283 V CB 0.540 32.243 31.823 -0.200 0.000 1.031 283 V HN 0.636 nan 8.190 nan 0.000 0.479 284 V N 2.492 122.306 119.914 -0.167 0.000 2.459 284 V HA 0.591 4.710 4.120 -0.000 0.000 0.295 284 V C -0.103 175.950 176.094 -0.068 0.000 1.029 284 V CA -1.245 60.985 62.300 -0.116 0.000 0.874 284 V CB 1.406 33.173 31.823 -0.093 0.000 0.985 284 V HN 0.756 nan 8.190 nan 0.000 0.438 285 K N 3.066 123.415 120.400 -0.086 0.000 2.202 285 K HA 0.593 4.912 4.320 -0.000 0.000 0.264 285 K C 1.273 177.881 176.600 0.012 0.000 1.010 285 K CA 0.137 56.349 56.287 -0.125 0.000 0.940 285 K CB 1.471 33.767 32.500 -0.341 0.000 0.983 285 K HN 0.942 nan 8.250 nan 0.000 0.475 286 A N 3.050 125.956 122.820 0.144 0.000 2.216 286 A HA -0.016 4.304 4.320 -0.000 0.000 0.214 286 A C -0.149 177.787 177.584 0.586 0.000 1.160 286 A CA 1.046 53.346 52.037 0.440 0.000 0.725 286 A CB -0.644 18.669 19.000 0.521 0.000 0.784 286 A HN 0.724 nan 8.150 nan 0.000 0.472 287 Y N -3.368 117.079 120.300 0.245 0.000 3.036 287 Y HA 0.662 5.212 4.550 -0.000 0.000 0.302 287 Y C -0.244 175.795 175.900 0.232 0.000 1.671 287 Y CA -1.027 57.224 58.100 0.250 0.000 1.082 287 Y CB 0.180 38.716 38.460 0.127 0.000 1.632 287 Y HN 0.042 nan 8.280 nan 0.000 0.454 288 T N -0.694 114.043 114.554 0.305 0.000 2.906 288 T HA 0.783 5.133 4.350 -0.000 0.000 0.295 288 T C -0.659 174.202 174.700 0.269 0.000 1.061 288 T CA -0.128 62.125 62.100 0.256 0.000 1.000 288 T CB 1.756 70.940 68.868 0.526 0.000 1.103 288 T HN 1.292 nan 8.240 nan 0.000 0.486 289 T N -0.840 113.748 114.554 0.058 0.000 2.865 289 T HA 0.801 5.150 4.350 -0.000 0.000 0.294 289 T C -0.982 173.511 174.700 -0.345 0.000 1.119 289 T CA -1.139 60.932 62.100 -0.049 0.000 1.007 289 T CB 2.122 70.973 68.868 -0.029 0.000 1.225 289 T HN 0.895 nan 8.240 nan 0.000 0.515 290 R N 0.793 121.069 120.500 -0.373 0.000 2.603 290 R HA 0.431 4.771 4.340 -0.000 0.000 0.280 290 R C 0.307 176.477 176.300 -0.217 0.000 1.185 290 R CA -0.421 55.404 56.100 -0.457 0.000 1.039 290 R CB 2.183 31.863 30.300 -1.033 0.000 1.247 290 R HN 0.574 nan 8.270 nan 0.000 0.413 291 V N 3.767 123.616 119.914 -0.109 0.000 2.244 291 V HA 0.087 4.207 4.120 -0.000 0.000 0.244 291 V C 1.083 177.152 176.094 -0.042 0.000 1.042 291 V CA 2.335 64.605 62.300 -0.049 0.000 1.006 291 V CB -0.192 31.629 31.823 -0.003 0.000 0.641 291 V HN 0.790 nan 8.190 nan 0.000 0.446 292 G N -0.171 108.610 108.800 -0.032 0.000 2.494 292 G HA2 0.414 4.373 3.960 -0.000 0.000 0.270 292 G HA3 0.414 4.373 3.960 -0.000 0.000 0.270 292 G C -0.014 174.839 174.900 -0.079 0.000 1.423 292 G CA 0.302 45.400 45.100 -0.005 0.000 1.055 292 G HN 0.819 nan 8.290 nan 0.000 0.536 293 S N -2.133 113.518 115.700 -0.081 0.000 2.713 293 S HA 0.862 5.332 4.470 -0.000 0.000 0.283 293 S C 0.274 174.480 174.600 -0.657 0.000 1.161 293 S CA 0.240 58.283 58.200 -0.260 0.000 0.999 293 S CB 1.433 64.521 63.200 -0.186 0.000 1.039 293 S HN 2.324 nan 8.310 nan 0.000 0.548 294 G N -0.160 108.159 108.800 -0.801 0.000 2.334 294 G HA2 0.253 4.213 3.960 -0.000 0.000 0.315 294 G HA3 0.253 4.213 3.960 -0.000 0.000 0.315 294 G C -3.605 171.034 174.900 -0.436 0.000 1.284 294 G CA -1.095 43.380 45.100 -1.042 0.000 0.985 294 G HN 0.686 nan 8.290 nan 0.000 0.504 295 P HA 0.454 nan 4.420 nan 0.000 0.266 295 P C -0.915 176.355 177.300 -0.050 0.000 1.215 295 P CA 0.270 63.331 63.100 -0.065 0.000 0.763 295 P CB 0.224 31.966 31.700 0.069 0.000 0.806 296 F N 7.091 126.905 119.950 -0.228 0.000 3.050 296 F HA 0.343 4.870 4.527 -0.000 0.000 0.382 296 F C -2.208 173.531 175.800 -0.101 0.000 1.246 296 F CA -3.128 54.698 58.000 -0.289 0.000 1.217 296 F CB 0.947 39.723 39.000 -0.374 0.000 1.795 296 F HN 0.189 nan 8.300 nan 0.000 0.622 297 P HA -0.160 nan 4.420 nan 0.000 0.215 297 P C 1.382 178.719 177.300 0.062 0.000 1.163 297 P CA 2.299 65.441 63.100 0.071 0.000 0.894 297 P CB 0.127 31.896 31.700 0.115 0.000 0.791 298 T N -3.631 111.008 114.554 0.140 0.000 3.169 298 T HA 0.057 4.407 4.350 -0.000 0.000 0.250 298 T C 0.567 175.058 174.700 -0.348 0.000 1.111 298 T CA -0.266 61.932 62.100 0.163 0.000 1.010 298 T CB -0.752 68.396 68.868 0.465 0.000 0.984 298 T HN 0.159 nan 8.240 nan 0.000 0.537 299 E N 2.270 121.868 120.200 -1.003 0.000 2.529 299 E HA -0.029 4.321 4.350 -0.000 0.000 0.259 299 E C -0.391 175.930 176.600 -0.466 0.000 0.966 299 E CA -0.163 55.531 56.400 -1.176 0.000 0.937 299 E CB 0.233 29.344 29.700 -0.983 0.000 0.923 299 E HN 0.196 nan 8.360 nan 0.000 0.468 300 N N 4.854 123.314 118.700 -0.398 0.000 2.558 300 N HA 0.134 4.874 4.740 -0.000 0.000 0.242 300 N C -0.005 175.391 175.510 -0.191 0.000 0.979 300 N CA -0.271 52.631 53.050 -0.247 0.000 0.931 300 N CB 0.692 38.974 38.487 -0.341 0.000 1.122 300 N HN 0.532 nan 8.380 nan 0.000 0.508 301 L N 1.228 122.371 121.223 -0.133 0.000 2.599 301 L HA 0.310 4.649 4.340 -0.000 0.000 0.230 301 L C 1.441 178.265 176.870 -0.077 0.000 1.141 301 L CA -0.169 54.612 54.840 -0.098 0.000 0.877 301 L CB -0.269 41.744 42.059 -0.077 0.000 1.009 301 L HN 0.422 nan 8.230 nan 0.000 0.447 302 G N -0.422 108.331 108.800 -0.079 0.000 2.702 302 G HA2 0.231 4.191 3.960 -0.000 0.000 0.254 302 G HA3 0.231 4.191 3.960 -0.000 0.000 0.254 302 G C 1.051 175.908 174.900 -0.071 0.000 1.380 302 G CA 0.491 45.555 45.100 -0.059 0.000 1.042 302 G HN 0.155 nan 8.290 nan 0.000 0.557 303 T N -2.643 111.879 114.554 -0.054 0.000 2.962 303 T HA 0.019 4.369 4.350 -0.000 0.000 0.270 303 T C 2.260 176.909 174.700 -0.085 0.000 1.088 303 T CA 1.554 63.618 62.100 -0.059 0.000 1.127 303 T CB -0.312 68.532 68.868 -0.040 0.000 0.883 303 T HN 0.600 nan 8.240 nan 0.000 0.493 304 G N 1.211 109.960 108.800 -0.085 0.000 2.408 304 G HA2 0.129 4.089 3.960 -0.000 0.000 0.217 304 G HA3 0.129 4.089 3.960 -0.000 0.000 0.217 304 G C 1.621 176.340 174.900 -0.302 0.000 1.150 304 G CA 0.487 45.511 45.100 -0.128 0.000 0.776 304 G HN 0.618 nan 8.290 nan 0.000 0.542 305 G N 0.577 109.212 108.800 -0.275 0.000 2.408 305 G HA2 -0.053 3.906 3.960 -0.000 0.000 0.215 305 G HA3 -0.053 3.906 3.960 -0.000 0.000 0.215 305 G C 1.389 176.156 174.900 -0.222 0.000 1.156 305 G CA 1.082 46.002 45.100 -0.301 0.000 0.793 305 G HN 0.286 nan 8.290 nan 0.000 0.535 306 D N 0.872 121.179 120.400 -0.155 0.000 2.092 306 D HA -0.096 4.544 4.640 -0.000 0.000 0.193 306 D C 2.622 178.853 176.300 -0.115 0.000 0.994 306 D CA 0.635 54.572 54.000 -0.105 0.000 0.828 306 D CB -0.353 40.408 40.800 -0.065 0.000 0.963 306 D HN 0.291 nan 8.370 nan 0.000 0.450 307 L N -0.118 121.022 121.223 -0.138 0.000 2.083 307 L HA -0.131 4.209 4.340 -0.000 0.000 0.209 307 L C 2.307 179.053 176.870 -0.206 0.000 1.083 307 L CA 0.315 55.069 54.840 -0.142 0.000 0.752 307 L CB -0.310 41.665 42.059 -0.139 0.000 0.899 307 L HN 0.077 nan 8.230 nan 0.000 0.433 308 L N 0.120 121.159 121.223 -0.307 0.000 2.093 308 L HA -0.164 4.175 4.340 -0.000 0.000 0.208 308 L C 2.741 179.401 176.870 -0.350 0.000 1.085 308 L CA 1.634 56.194 54.840 -0.467 0.000 0.755 308 L CB -0.711 40.970 42.059 -0.630 0.000 0.904 308 L HN 0.151 nan 8.230 nan 0.000 0.435 309 R N -0.896 119.467 120.500 -0.228 0.000 2.066 309 R HA -0.126 4.214 4.340 -0.000 0.000 0.232 309 R C 2.315 178.562 176.300 -0.089 0.000 1.131 309 R CA 1.558 57.551 56.100 -0.178 0.000 0.955 309 R CB -0.305 29.852 30.300 -0.239 0.000 0.851 309 R HN 0.357 nan 8.270 nan 0.000 0.432 310 L N 0.294 121.502 121.223 -0.026 0.000 2.012 310 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 310 L C 2.671 179.567 176.870 0.044 0.000 1.073 310 L CA 1.482 56.367 54.840 0.074 0.000 0.748 310 L CB -0.543 41.545 42.059 0.049 0.000 0.891 310 L HN 0.323 nan 8.230 nan 0.000 0.431 311 A N -0.244 122.558 122.820 -0.030 0.000 2.067 311 A HA -0.034 4.286 4.320 -0.000 0.000 0.219 311 A C 2.214 179.809 177.584 0.019 0.000 1.158 311 A CA 1.489 53.511 52.037 -0.026 0.000 0.661 311 A CB -0.745 18.203 19.000 -0.086 0.000 0.801 311 A HN 0.472 nan 8.150 nan 0.000 0.452 312 G N -2.661 106.157 108.800 0.031 0.000 2.887 312 G HA2 0.274 4.234 3.960 -0.000 0.000 0.211 312 G HA3 0.274 4.234 3.960 -0.000 0.000 0.211 312 G C 0.389 175.369 174.900 0.133 0.000 1.152 312 G CA 0.408 45.587 45.100 0.132 0.000 0.769 312 G HN 0.281 nan 8.290 nan 0.000 0.541 313 Q N 0.545 120.426 119.800 0.134 0.000 2.470 313 Q HA -0.124 4.216 4.340 -0.000 0.000 0.294 313 Q C -0.652 175.459 176.000 0.184 0.000 1.356 313 Q CA 0.707 56.647 55.803 0.228 0.000 0.805 313 Q CB -1.901 26.952 28.738 0.192 0.000 1.157 313 Q HN 0.503 nan 8.270 nan 0.000 0.431 314 E N 0.484 120.664 120.200 -0.033 0.000 1.852 314 E HA 0.369 4.718 4.350 -0.000 0.000 0.276 314 E C -0.154 176.158 176.600 -0.481 0.000 1.163 314 E CA 0.224 56.521 56.400 -0.171 0.000 1.117 314 E CB -0.457 29.150 29.700 -0.154 0.000 1.124 314 E HN 0.172 nan 8.360 nan 0.000 0.458 315 F N -0.742 119.233 119.950 0.041 0.000 2.591 315 F HA 0.389 4.915 4.527 -0.000 0.000 0.309 315 F C 1.117 176.936 175.800 0.032 0.000 1.098 315 F CA -1.231 56.788 58.000 0.032 0.000 0.937 315 F CB 1.571 40.588 39.000 0.027 0.000 1.250 315 F HN 0.189 nan 8.300 nan 0.000 0.447 316 G N 0.963 109.888 108.800 0.209 0.000 2.321 316 G HA2 0.273 4.232 3.960 -0.000 0.000 0.237 316 G HA3 0.273 4.232 3.960 -0.000 0.000 0.237 316 G C 0.627 175.604 174.900 0.128 0.000 1.282 316 G CA -0.144 45.035 45.100 0.131 0.000 0.886 316 G HN 0.763 nan 8.290 nan 0.000 0.528 317 T N 1.948 116.561 114.554 0.099 0.000 2.857 317 T HA -0.099 4.250 4.350 -0.000 0.000 0.266 317 T C 2.563 177.306 174.700 0.071 0.000 1.048 317 T CA 1.766 63.918 62.100 0.086 0.000 1.139 317 T CB -0.091 68.822 68.868 0.076 0.000 0.874 317 T HN 0.512 nan 8.240 nan 0.000 0.455 318 T N 1.716 116.312 114.554 0.070 0.000 3.009 318 T HA -0.013 4.337 4.350 -0.000 0.000 0.258 318 T C 2.381 177.109 174.700 0.046 0.000 1.063 318 T CA 1.393 63.526 62.100 0.055 0.000 1.139 318 T CB -0.223 68.678 68.868 0.055 0.000 0.890 318 T HN 0.616 nan 8.240 nan 0.000 0.471 319 T N -1.463 113.125 114.554 0.057 0.000 3.034 319 T HA 0.437 4.787 4.350 -0.000 0.000 0.248 319 T C 1.935 176.673 174.700 0.062 0.000 1.040 319 T CA 0.680 62.811 62.100 0.052 0.000 1.107 319 T CB -0.115 68.785 68.868 0.054 0.000 0.932 319 T HN 0.466 nan 8.240 nan 0.000 0.474 320 G N 2.204 111.059 108.800 0.093 0.000 2.143 320 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.249 320 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.249 320 G C 0.110 175.131 174.900 0.202 0.000 0.981 320 G CA -0.149 45.015 45.100 0.107 0.000 0.665 320 G HN 0.666 nan 8.290 nan 0.000 0.528 321 R N 1.327 121.940 120.500 0.188 0.000 2.491 321 R HA 0.362 4.702 4.340 -0.000 0.000 0.283 321 R C -2.054 174.397 176.300 0.252 0.000 1.072 321 R CA -1.123 55.092 56.100 0.191 0.000 1.048 321 R CB 0.544 30.906 30.300 0.104 0.000 0.983 321 R HN 0.192 nan 8.270 nan 0.000 0.450 322 P HA 0.031 nan 4.420 nan 0.000 0.271 322 P C -0.763 176.469 177.300 -0.114 0.000 1.220 322 P CA 0.237 63.321 63.100 -0.026 0.000 0.768 322 P CB 0.765 32.507 31.700 0.070 0.000 0.848 323 R N 3.053 123.406 120.500 -0.245 0.000 2.457 323 R HA 0.340 4.680 4.340 -0.000 0.000 0.284 323 R C 0.650 176.893 176.300 -0.095 0.000 1.024 323 R CA -0.859 55.161 56.100 -0.133 0.000 1.025 323 R CB 1.146 31.373 30.300 -0.121 0.000 1.063 323 R HN 0.467 nan 8.270 nan 0.000 0.493 324 R N 0.997 121.484 120.500 -0.022 0.000 2.449 324 R HA 0.122 4.462 4.340 -0.000 0.000 0.296 324 R C -0.447 175.990 176.300 0.228 0.000 1.047 324 R CA 0.080 56.238 56.100 0.097 0.000 1.018 324 R CB 0.283 30.696 30.300 0.188 0.000 0.962 324 R HN 0.476 nan 8.270 nan 0.000 0.428 325 C N 1.833 121.229 119.300 0.160 0.000 2.614 325 C HA 0.902 5.362 4.460 -0.000 0.000 0.320 325 C C 0.704 175.691 174.990 -0.005 0.000 1.200 325 C CA -0.380 58.732 59.018 0.158 0.000 1.700 325 C CB 1.688 29.420 27.740 -0.013 0.000 2.275 325 C HN 1.002 nan 8.230 nan 0.000 0.492 326 G N 0.195 109.044 108.800 0.081 0.000 2.619 326 G HA2 0.596 4.556 3.960 -0.000 0.000 0.305 326 G HA3 0.596 4.556 3.960 -0.000 0.000 0.305 326 G C -1.986 172.864 174.900 -0.084 0.000 1.330 326 G CA -0.660 44.317 45.100 -0.204 0.000 0.789 326 G HN 0.684 nan 8.290 nan 0.000 0.487 327 W N -0.552 120.877 121.300 0.214 0.000 2.215 327 W HA 0.535 5.195 4.660 -0.000 0.000 0.342 327 W C 0.532 177.284 176.519 0.387 0.000 1.237 327 W CA -0.629 56.887 57.345 0.284 0.000 1.283 327 W CB 0.949 30.539 29.460 0.217 0.000 1.131 327 W HN 0.349 nan 8.180 nan 0.000 0.606 328 L N 3.616 125.231 121.223 0.653 0.000 2.654 328 L HA -0.029 4.311 4.340 -0.000 0.000 0.271 328 L C 0.136 177.267 176.870 0.436 0.000 1.169 328 L CA 0.509 55.636 54.840 0.478 0.000 0.947 328 L CB -0.613 41.697 42.059 0.418 0.000 1.232 328 L HN 0.250 nan 8.230 nan 0.000 0.486 329 D N 5.313 125.967 120.400 0.423 0.000 2.338 329 D HA 0.026 4.666 4.640 -0.000 0.000 0.255 329 D C 1.183 177.623 176.300 0.233 0.000 1.237 329 D CA -0.226 54.012 54.000 0.396 0.000 0.883 329 D CB 0.744 41.861 40.800 0.528 0.000 1.087 329 D HN 0.493 nan 8.370 nan 0.000 0.485 330 I N 3.990 124.658 120.570 0.163 0.000 2.406 330 I HA -0.183 3.987 4.170 -0.000 0.000 0.249 330 I C 2.343 178.472 176.117 0.019 0.000 1.122 330 I CA 0.516 61.858 61.300 0.071 0.000 1.431 330 I CB -0.571 37.454 38.000 0.041 0.000 1.087 330 I HN 0.306 nan 8.210 nan 0.000 0.424 331 V N 1.595 121.481 119.914 -0.047 0.000 2.295 331 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 331 V C 2.836 178.951 176.094 0.035 0.000 1.049 331 V CA 1.890 64.089 62.300 -0.168 0.000 1.024 331 V CB -1.242 30.108 31.823 -0.787 0.000 0.648 331 V HN 0.438 nan 8.190 nan 0.000 0.447 332 A N -0.370 122.529 122.820 0.132 0.000 1.969 332 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 332 A C 2.127 179.688 177.584 -0.039 0.000 1.169 332 A CA 1.821 53.841 52.037 -0.029 0.000 0.635 332 A CB -0.460 18.532 19.000 -0.012 0.000 0.810 332 A HN 0.446 nan 8.150 nan 0.000 0.445 333 L N -0.340 120.894 121.223 0.018 0.000 2.109 333 L HA -0.004 4.335 4.340 -0.000 0.000 0.207 333 L C 2.068 178.953 176.870 0.026 0.000 1.086 333 L CA 1.907 56.752 54.840 0.007 0.000 0.760 333 L CB -0.510 41.559 42.059 0.018 0.000 0.910 333 L HN 0.273 nan 8.230 nan 0.000 0.437 334 K N -1.292 119.130 120.400 0.037 0.000 2.097 334 K HA -0.185 4.135 4.320 -0.000 0.000 0.205 334 K C 2.075 178.696 176.600 0.035 0.000 1.050 334 K CA 1.549 57.852 56.287 0.028 0.000 0.938 334 K CB -0.397 32.115 32.500 0.021 0.000 0.718 334 K HN 0.277 nan 8.250 nan 0.000 0.442 335 F N 2.397 122.297 119.950 -0.082 0.000 2.046 335 F HA -0.298 4.229 4.527 -0.000 0.000 0.297 335 F C 2.557 178.263 175.800 -0.157 0.000 1.123 335 F CA 2.177 60.114 58.000 -0.105 0.000 1.199 335 F CB -0.775 38.156 39.000 -0.115 0.000 0.972 335 F HN 0.031 nan 8.300 nan 0.000 0.474 336 S N -0.608 114.980 115.700 -0.186 0.000 2.400 336 S HA -0.256 4.214 4.470 -0.000 0.000 0.232 336 S C 2.196 176.662 174.600 -0.223 0.000 1.025 336 S CA 1.385 59.426 58.200 -0.266 0.000 0.993 336 S CB -1.771 61.398 63.200 -0.051 0.000 0.808 336 S HN 0.529 nan 8.310 nan 0.000 0.478 337 C N 2.475 121.732 119.300 -0.072 0.000 2.435 337 C HA -0.026 4.434 4.460 -0.000 0.000 0.279 337 C C 3.083 177.935 174.990 -0.230 0.000 1.321 337 C CA 0.926 59.939 59.018 -0.008 0.000 1.752 337 C CB -1.290 26.495 27.740 0.075 0.000 1.959 337 C HN 0.873 nan 8.230 nan 0.000 0.500 338 Q N 0.020 119.650 119.800 -0.283 0.000 2.212 338 Q HA -0.024 4.316 4.340 -0.000 0.000 0.199 338 Q C 1.960 177.691 176.000 -0.448 0.000 0.950 338 Q CA 1.151 56.770 55.803 -0.306 0.000 0.863 338 Q CB -0.263 28.334 28.738 -0.235 0.000 0.944 338 Q HN 0.416 nan 8.270 nan 0.000 0.465 339 I N 2.444 122.629 120.570 -0.642 0.000 2.226 339 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 339 I C 1.466 177.196 176.117 -0.643 0.000 1.100 339 I CA 1.200 62.028 61.300 -0.787 0.000 1.374 339 I CB -0.922 36.452 38.000 -1.043 0.000 1.057 339 I HN 0.382 nan 8.210 nan 0.000 0.413 340 N N 0.401 118.676 118.700 -0.710 0.000 2.325 340 N HA 0.043 4.782 4.740 -0.000 0.000 0.182 340 N C 1.158 176.237 175.510 -0.718 0.000 1.088 340 N CA 0.821 53.391 53.050 -0.799 0.000 0.879 340 N CB 0.499 38.198 38.487 -1.313 0.000 0.983 340 N HN 0.365 nan 8.380 nan 0.000 0.471 341 G N 1.976 110.430 108.800 -0.577 0.000 2.359 341 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.298 341 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.298 341 G C -0.352 174.398 174.900 -0.251 0.000 1.030 341 G CA -0.195 44.708 45.100 -0.330 0.000 1.149 341 G HN 0.157 nan 8.290 nan 0.000 0.512 342 F N -0.434 119.464 119.950 -0.087 0.000 2.518 342 F HA 0.435 4.962 4.527 -0.000 0.000 0.359 342 F C 1.577 177.359 175.800 -0.029 0.000 1.118 342 F CA 0.192 58.159 58.000 -0.055 0.000 1.287 342 F CB 0.887 39.851 39.000 -0.061 0.000 1.132 342 F HN 0.266 nan 8.300 nan 0.000 0.587 343 A N 1.559 124.517 122.820 0.229 0.000 1.924 343 A HA 0.258 4.578 4.320 -0.000 0.000 0.211 343 A C 0.664 178.344 177.584 0.159 0.000 1.198 343 A CA 0.727 52.854 52.037 0.150 0.000 0.657 343 A CB -0.142 18.940 19.000 0.136 0.000 0.852 343 A HN 0.575 nan 8.150 nan 0.000 0.454 344 S N -1.867 113.941 115.700 0.180 0.000 2.661 344 S HA 0.764 5.234 4.470 -0.000 0.000 0.285 344 S C -1.022 173.593 174.600 0.025 0.000 1.138 344 S CA -0.551 57.739 58.200 0.150 0.000 0.855 344 S CB 1.522 64.975 63.200 0.422 0.000 1.136 344 S HN 0.272 nan 8.310 nan 0.000 0.484 345 L N 1.434 122.638 121.223 -0.032 0.000 2.333 345 L HA 0.601 4.941 4.340 -0.000 0.000 0.263 345 L C -0.412 176.463 176.870 0.007 0.000 1.014 345 L CA -0.606 54.164 54.840 -0.117 0.000 0.820 345 L CB 1.891 43.854 42.059 -0.161 0.000 1.352 345 L HN 0.678 nan 8.230 nan 0.000 0.421 346 N N 2.177 120.848 118.700 -0.048 0.000 2.696 346 N HA 0.211 4.951 4.740 -0.000 0.000 0.246 346 N C -1.206 174.286 175.510 -0.031 0.000 1.057 346 N CA -0.519 52.542 53.050 0.019 0.000 0.867 346 N CB 1.096 39.549 38.487 -0.056 0.000 1.141 346 N HN 0.477 nan 8.380 nan 0.000 0.517 347 L N 4.559 125.780 121.223 -0.003 0.000 2.485 347 L HA 0.148 4.488 4.340 -0.000 0.000 0.279 347 L C 0.491 177.391 176.870 0.050 0.000 1.124 347 L CA 0.582 55.435 54.840 0.023 0.000 0.888 347 L CB -0.103 41.987 42.059 0.052 0.000 1.217 347 L HN 0.618 nan 8.230 nan 0.000 0.464 348 T N 1.742 116.315 114.554 0.031 0.000 2.897 348 T HA 0.313 4.663 4.350 -0.000 0.000 0.278 348 T C 0.611 175.369 174.700 0.097 0.000 0.981 348 T CA -0.745 61.379 62.100 0.041 0.000 0.973 348 T CB 1.146 70.007 68.868 -0.011 0.000 1.092 348 T HN 0.610 nan 8.240 nan 0.000 0.543 349 K N -0.122 120.348 120.400 0.116 0.000 3.012 349 K HA -0.174 4.145 4.320 -0.000 0.000 0.259 349 K C 0.767 177.533 176.600 0.277 0.000 0.989 349 K CA 0.367 56.771 56.287 0.195 0.000 0.728 349 K CB -1.341 31.294 32.500 0.225 0.000 1.260 349 K HN 0.527 nan 8.250 nan 0.000 0.480 350 L N 1.987 123.358 121.223 0.247 0.000 2.046 350 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 350 L C 2.140 179.220 176.870 0.351 0.000 1.077 350 L CA 2.584 57.614 54.840 0.316 0.000 0.747 350 L CB -0.346 41.864 42.059 0.250 0.000 0.896 350 L HN 0.396 nan 8.230 nan 0.000 0.432 351 D N -1.241 119.320 120.400 0.268 0.000 2.357 351 D HA -0.176 4.463 4.640 -0.000 0.000 0.216 351 D C 1.846 178.241 176.300 0.158 0.000 0.973 351 D CA 1.260 55.404 54.000 0.240 0.000 0.912 351 D CB -0.758 40.140 40.800 0.163 0.000 0.900 351 D HN 0.337 nan 8.370 nan 0.000 0.501 352 V N 0.407 120.408 119.914 0.145 0.000 2.871 352 V HA -0.100 4.020 4.120 -0.000 0.000 0.256 352 V C 2.315 178.343 176.094 -0.109 0.000 1.082 352 V CA 0.827 63.139 62.300 0.020 0.000 1.105 352 V CB -0.420 31.427 31.823 0.040 0.000 0.713 352 V HN 0.240 nan 8.190 nan 0.000 0.473 353 L N -0.616 120.558 121.223 -0.081 0.000 2.611 353 L HA 0.124 4.464 4.340 -0.000 0.000 0.229 353 L C 2.131 178.617 176.870 -0.639 0.000 1.137 353 L CA 0.101 54.759 54.840 -0.303 0.000 0.901 353 L CB -0.372 41.527 42.059 -0.267 0.000 1.098 353 L HN 0.169 nan 8.230 nan 0.000 0.456 354 S N 0.101 115.560 115.700 -0.403 0.000 2.442 354 S HA -0.185 4.285 4.470 -0.000 0.000 0.236 354 S C 1.456 175.774 174.600 -0.471 0.000 1.007 354 S CA 1.471 59.359 58.200 -0.520 0.000 0.965 354 S CB -0.097 63.080 63.200 -0.039 0.000 0.773 354 S HN 0.459 nan 8.310 nan 0.000 0.504 355 D N 0.259 120.465 120.400 -0.324 0.000 2.354 355 D HA 0.150 4.790 4.640 -0.000 0.000 0.209 355 D C 0.021 176.174 176.300 -0.244 0.000 1.015 355 D CA -0.014 53.846 54.000 -0.233 0.000 0.867 355 D CB 0.092 40.801 40.800 -0.151 0.000 0.933 355 D HN 0.250 nan 8.370 nan 0.000 0.520 356 L N 2.015 123.047 121.223 -0.319 0.000 2.410 356 L HA 0.138 4.477 4.340 -0.000 0.000 0.273 356 L C 1.677 178.405 176.870 -0.235 0.000 1.144 356 L CA -0.494 54.202 54.840 -0.240 0.000 0.863 356 L CB 0.822 42.759 42.059 -0.202 0.000 1.140 356 L HN 0.125 nan 8.230 nan 0.000 0.463 357 N N 2.861 121.478 118.700 -0.139 0.000 2.084 357 N HA -0.110 4.630 4.740 -0.000 0.000 0.190 357 N C 0.048 175.496 175.510 -0.103 0.000 1.030 357 N CA 1.121 54.106 53.050 -0.108 0.000 0.849 357 N CB 0.129 38.574 38.487 -0.071 0.000 1.012 357 N HN 0.637 nan 8.380 nan 0.000 0.423 358 E N -0.066 120.076 120.200 -0.097 0.000 2.314 358 E HA 0.513 4.862 4.350 -0.000 0.000 0.272 358 E C -0.930 175.580 176.600 -0.150 0.000 0.884 358 E CA -0.550 55.783 56.400 -0.110 0.000 0.753 358 E CB 2.751 32.385 29.700 -0.112 0.000 1.213 358 E HN 0.078 nan 8.360 nan 0.000 0.432 359 I N 2.381 122.849 120.570 -0.169 0.000 2.404 359 I HA 0.235 4.404 4.170 -0.000 0.000 0.293 359 I C 0.077 175.963 176.117 -0.385 0.000 0.992 359 I CA -0.616 60.558 61.300 -0.211 0.000 1.149 359 I CB 1.444 39.369 38.000 -0.125 0.000 1.315 359 I HN 0.281 nan 8.210 nan 0.000 0.446 360 Q N 5.810 125.007 119.800 -1.006 0.000 2.204 360 Q HA 0.734 5.074 4.340 -0.000 0.000 0.254 360 Q C -1.178 174.727 176.000 -0.158 0.000 0.981 360 Q CA -0.929 54.376 55.803 -0.831 0.000 0.897 360 Q CB 2.914 30.637 28.738 -1.691 0.000 1.273 360 Q HN 0.504 nan 8.270 nan 0.000 0.464 361 L N 0.171 121.450 121.223 0.094 0.000 2.436 361 L HA 0.449 4.789 4.340 -0.000 0.000 0.268 361 L C 0.068 177.163 176.870 0.376 0.000 0.974 361 L CA -0.911 54.106 54.840 0.295 0.000 0.826 361 L CB 2.031 44.207 42.059 0.196 0.000 1.291 361 L HN 0.775 nan 8.230 nan 0.000 0.406 362 G N 2.140 111.186 108.800 0.410 0.000 2.605 362 G HA2 0.333 4.293 3.960 -0.000 0.000 0.301 362 G HA3 0.333 4.293 3.960 -0.000 0.000 0.301 362 G C 0.712 175.658 174.900 0.076 0.000 0.881 362 G CA -0.260 44.954 45.100 0.190 0.000 1.553 362 G HN 0.443 nan 8.290 nan 0.000 0.483 363 V N 1.699 121.614 119.914 0.001 0.000 2.535 363 V HA 0.309 4.429 4.120 -0.000 0.000 0.246 363 V C 1.564 177.621 176.094 -0.062 0.000 1.045 363 V CA 1.922 64.214 62.300 -0.014 0.000 1.058 363 V CB -0.461 31.364 31.823 0.004 0.000 0.689 363 V HN 0.850 nan 8.190 nan 0.000 0.461 364 A N -1.887 120.892 122.820 -0.067 0.000 2.587 364 A HA 0.749 5.069 4.320 -0.000 0.000 0.293 364 A C -1.866 175.763 177.584 0.074 0.000 1.087 364 A CA -0.447 51.553 52.037 -0.062 0.000 0.692 364 A CB 1.310 20.288 19.000 -0.037 0.000 1.291 364 A HN 0.046 nan 8.150 nan 0.000 0.407 365 Y N 0.864 121.098 120.300 -0.109 0.000 2.387 365 Y HA 0.650 5.200 4.550 -0.000 0.000 0.336 365 Y C 0.257 176.026 175.900 -0.218 0.000 1.067 365 Y CA -1.322 56.675 58.100 -0.172 0.000 1.114 365 Y CB 1.861 40.237 38.460 -0.140 0.000 1.208 365 Y HN 0.591 nan 8.280 nan 0.000 0.458 366 K N 2.992 123.245 120.400 -0.245 0.000 2.513 366 K HA 0.464 4.784 4.320 -0.000 0.000 0.251 366 K C -0.419 175.917 176.600 -0.440 0.000 0.939 366 K CA -1.014 55.082 56.287 -0.318 0.000 0.793 366 K CB 3.052 35.374 32.500 -0.297 0.000 1.241 366 K HN 0.591 nan 8.250 nan 0.000 0.431 367 R N 0.193 120.585 120.500 -0.179 0.000 2.893 367 R HA 0.060 4.400 4.340 -0.000 0.000 0.279 367 R C 1.153 177.465 176.300 0.019 0.000 1.076 367 R CA 0.096 56.139 56.100 -0.094 0.000 1.203 367 R CB 0.266 30.542 30.300 -0.041 0.000 1.137 367 R HN 0.643 nan 8.270 nan 0.000 0.541 368 S N 0.956 116.689 115.700 0.056 0.000 2.382 368 S HA -0.159 4.311 4.470 -0.000 0.000 0.228 368 S C 1.304 175.957 174.600 0.088 0.000 1.027 368 S CA 1.740 60.003 58.200 0.105 0.000 0.991 368 S CB -0.253 62.975 63.200 0.048 0.000 0.823 368 S HN 0.768 nan 8.310 nan 0.000 0.469 369 D N -0.015 120.416 120.400 0.052 0.000 2.317 369 D HA 0.094 4.734 4.640 -0.000 0.000 0.211 369 D C 1.434 177.765 176.300 0.051 0.000 0.966 369 D CA 1.057 55.081 54.000 0.039 0.000 0.876 369 D CB -0.042 40.770 40.800 0.020 0.000 0.927 369 D HN 0.521 nan 8.370 nan 0.000 0.519 370 G N 0.851 109.691 108.800 0.067 0.000 2.316 370 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.203 370 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.203 370 G C 0.568 175.484 174.900 0.026 0.000 0.999 370 G CA 0.152 45.292 45.100 0.067 0.000 0.649 370 G HN 0.586 nan 8.290 nan 0.000 0.489 371 T N 1.707 116.267 114.554 0.011 0.000 2.871 371 T HA 0.476 4.826 4.350 -0.000 0.000 0.296 371 T C -2.282 172.409 174.700 -0.015 0.000 0.998 371 T CA -0.655 61.444 62.100 -0.000 0.000 1.162 371 T CB 1.281 70.149 68.868 -0.001 0.000 0.947 371 T HN 0.183 nan 8.240 nan 0.000 0.536 372 P HA 0.176 nan 4.420 nan 0.000 0.267 372 P C -0.431 176.865 177.300 -0.007 0.000 1.205 372 P CA -0.448 62.643 63.100 -0.014 0.000 0.765 372 P CB 0.449 32.146 31.700 -0.006 0.000 0.828 373 V N 5.587 125.504 119.914 0.005 0.000 2.356 373 V HA -0.014 4.106 4.120 -0.000 0.000 0.258 373 V C 1.304 177.417 176.094 0.032 0.000 1.065 373 V CA 0.043 62.359 62.300 0.026 0.000 0.935 373 V CB 0.034 31.895 31.823 0.063 0.000 1.061 373 V HN 0.545 nan 8.190 nan 0.000 0.484 374 K N 2.795 123.205 120.400 0.017 0.000 1.976 374 K HA -0.203 4.117 4.320 -0.000 0.000 0.233 374 K C 1.203 177.812 176.600 0.015 0.000 1.032 374 K CA 2.153 58.449 56.287 0.015 0.000 1.032 374 K CB -0.528 31.986 32.500 0.022 0.000 0.733 374 K HN 0.625 nan 8.250 nan 0.000 0.448 375 S N -1.901 113.823 115.700 0.041 0.000 2.759 375 S HA 0.455 4.925 4.470 -0.000 0.000 0.310 375 S C -1.018 173.626 174.600 0.074 0.000 1.123 375 S CA -0.971 57.274 58.200 0.076 0.000 0.959 375 S CB 0.317 63.603 63.200 0.144 0.000 1.172 375 S HN 0.195 nan 8.310 nan 0.000 0.539 376 F N 4.262 124.159 119.950 -0.089 0.000 2.571 376 F HA 0.308 4.834 4.527 -0.000 0.000 0.384 376 F C -1.626 174.058 175.800 -0.194 0.000 1.058 376 F CA -1.243 56.648 58.000 -0.182 0.000 1.200 376 F CB 0.538 39.190 39.000 -0.580 0.000 1.077 376 F HN 0.330 nan 8.300 nan 0.000 0.558 377 P HA 0.196 nan 4.420 nan 0.000 0.277 377 P C 0.079 177.302 177.300 -0.128 0.000 1.240 377 P CA -0.280 62.703 63.100 -0.195 0.000 0.798 377 P CB 1.487 33.067 31.700 -0.200 0.000 0.979 378 G N 0.607 109.409 108.800 0.002 0.000 2.545 378 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.212 378 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.212 378 G C 0.333 175.273 174.900 0.067 0.000 1.144 378 G CA 0.143 45.292 45.100 0.081 0.000 0.813 378 G HN 0.552 nan 8.290 nan 0.000 0.531 379 D N 0.757 121.169 120.400 0.020 0.000 2.368 379 D HA 0.035 4.675 4.640 -0.000 0.000 0.268 379 D C 1.690 177.999 176.300 0.014 0.000 1.298 379 D CA -0.226 53.788 54.000 0.023 0.000 0.938 379 D CB 0.634 41.434 40.800 -0.000 0.000 1.101 379 D HN 0.069 nan 8.370 nan 0.000 0.509 380 L N 4.225 125.490 121.223 0.070 0.000 2.079 380 L HA -0.212 4.127 4.340 -0.000 0.000 0.210 380 L C 2.215 179.097 176.870 0.020 0.000 1.081 380 L CA 1.332 56.218 54.840 0.077 0.000 0.752 380 L CB -0.101 42.049 42.059 0.153 0.000 0.896 380 L HN 0.340 nan 8.230 nan 0.000 0.433 381 R N 0.014 120.525 120.500 0.017 0.000 2.082 381 R HA -0.222 4.118 4.340 -0.000 0.000 0.234 381 R C 2.152 178.428 176.300 -0.041 0.000 1.136 381 R CA 2.215 58.312 56.100 -0.006 0.000 0.935 381 R CB -1.080 29.222 30.300 0.002 0.000 0.842 381 R HN 0.436 nan 8.270 nan 0.000 0.430 382 L N 0.093 121.284 121.223 -0.053 0.000 2.127 382 L HA -0.077 4.263 4.340 -0.000 0.000 0.211 382 L C 1.761 178.540 176.870 -0.151 0.000 1.089 382 L CA 1.615 56.402 54.840 -0.089 0.000 0.757 382 L CB -0.593 41.414 42.059 -0.086 0.000 0.899 382 L HN 0.326 nan 8.230 nan 0.000 0.434 383 L N -0.722 120.406 121.223 -0.159 0.000 2.465 383 L HA -0.041 4.299 4.340 -0.000 0.000 0.224 383 L C 1.977 178.742 176.870 -0.175 0.000 1.145 383 L CA 1.400 56.102 54.840 -0.231 0.000 0.834 383 L CB -0.533 41.413 42.059 -0.189 0.000 0.944 383 L HN 0.428 nan 8.230 nan 0.000 0.451 384 E N -1.905 118.228 120.200 -0.112 0.000 2.526 384 E HA -0.001 4.349 4.350 -0.000 0.000 0.208 384 E C 1.163 177.717 176.600 -0.077 0.000 0.997 384 E CA 0.020 56.367 56.400 -0.087 0.000 0.961 384 E CB 0.616 30.281 29.700 -0.058 0.000 1.030 384 E HN 0.340 nan 8.360 nan 0.000 0.483 385 E N 0.628 120.777 120.200 -0.085 0.000 2.244 385 E HA 0.101 4.450 4.350 -0.000 0.000 0.196 385 E C 0.837 177.403 176.600 -0.056 0.000 0.939 385 E CA -0.063 56.304 56.400 -0.056 0.000 0.884 385 E CB 0.403 30.075 29.700 -0.046 0.000 0.850 385 E HN 0.153 nan 8.360 nan 0.000 0.481 386 L N 1.509 122.653 121.223 -0.133 0.000 2.482 386 L HA 0.239 4.579 4.340 -0.000 0.000 0.273 386 L C 0.109 176.887 176.870 -0.153 0.000 1.228 386 L CA -0.446 54.277 54.840 -0.195 0.000 0.827 386 L CB 0.383 42.242 42.059 -0.333 0.000 1.099 386 L HN 0.145 nan 8.230 nan 0.000 0.494 387 H N 0.263 119.257 119.070 -0.126 0.000 2.679 387 H HA 0.663 5.219 4.556 -0.000 0.000 0.367 387 H C -1.079 174.190 175.328 -0.098 0.000 1.162 387 H CA -1.063 54.928 56.048 -0.095 0.000 1.181 387 H CB 1.689 31.425 29.762 -0.043 0.000 1.693 387 H HN 0.534 nan 8.280 nan 0.000 0.538 388 V N 1.576 121.481 119.914 -0.015 0.000 2.532 388 V HA 0.164 4.284 4.120 -0.000 0.000 0.295 388 V C 0.312 176.241 176.094 -0.274 0.000 1.041 388 V CA -0.750 61.446 62.300 -0.174 0.000 0.926 388 V CB 1.503 33.109 31.823 -0.363 0.000 0.992 388 V HN 0.755 nan 8.190 nan 0.000 0.457 389 E N 3.043 123.107 120.200 -0.226 0.000 2.109 389 E HA 0.392 4.741 4.350 -0.000 0.000 0.278 389 E C -1.422 175.033 176.600 -0.242 0.000 0.954 389 E CA -0.301 56.020 56.400 -0.132 0.000 0.779 389 E CB 1.203 30.895 29.700 -0.014 0.000 1.093 389 E HN 0.597 nan 8.360 nan 0.000 0.401 390 Y N 1.170 121.498 120.300 0.046 0.000 2.392 390 Y HA 0.282 4.832 4.550 -0.000 0.000 0.323 390 Y C 0.607 176.491 175.900 -0.026 0.000 1.291 390 Y CA -0.545 57.553 58.100 -0.005 0.000 1.345 390 Y CB 0.947 39.357 38.460 -0.083 0.000 1.320 390 Y HN 0.440 nan 8.280 nan 0.000 0.518 391 E N 0.735 121.024 120.200 0.147 0.000 2.248 391 E HA 0.572 4.922 4.350 -0.000 0.000 0.267 391 E C -1.837 174.767 176.600 0.006 0.000 0.877 391 E CA -0.977 55.461 56.400 0.063 0.000 0.759 391 E CB 1.861 31.598 29.700 0.062 0.000 1.182 391 E HN 0.486 nan 8.360 nan 0.000 0.418 392 V N 2.997 122.899 119.914 -0.020 0.000 2.384 392 V HA 0.587 4.707 4.120 -0.000 0.000 0.287 392 V C -0.702 175.383 176.094 -0.014 0.000 1.020 392 V CA -0.707 61.549 62.300 -0.073 0.000 0.850 392 V CB 0.798 32.558 31.823 -0.105 0.000 0.987 392 V HN 0.548 nan 8.190 nan 0.000 0.436 393 L N 6.459 127.691 121.223 0.014 0.000 2.331 393 L HA 0.656 4.996 4.340 -0.000 0.000 0.275 393 L C -2.229 174.671 176.870 0.050 0.000 1.022 393 L CA -2.036 52.852 54.840 0.080 0.000 0.812 393 L CB 2.599 44.782 42.059 0.207 0.000 1.257 393 L HN 0.437 nan 8.230 nan 0.000 0.435 394 P HA 0.120 nan 4.420 nan 0.000 0.276 394 P C -0.331 177.023 177.300 0.091 0.000 1.235 394 P CA -0.078 63.052 63.100 0.050 0.000 0.772 394 P CB 1.220 32.955 31.700 0.058 0.000 0.871 395 G N 2.951 111.753 108.800 0.004 0.000 2.451 395 G HA2 0.469 4.429 3.960 -0.000 0.000 0.303 395 G HA3 0.469 4.429 3.960 -0.000 0.000 0.303 395 G C -1.020 173.894 174.900 0.023 0.000 1.166 395 G CA -0.990 44.071 45.100 -0.065 0.000 0.884 395 G HN 0.637 nan 8.290 nan 0.000 0.514 396 W N -0.267 121.011 121.300 -0.037 0.000 2.438 396 W HA 0.701 5.361 4.660 -0.000 0.000 0.324 396 W C -0.198 176.305 176.519 -0.027 0.000 1.119 396 W CA -1.295 56.034 57.345 -0.026 0.000 1.221 396 W CB 1.255 30.701 29.460 -0.024 0.000 1.253 396 W HN 0.244 nan 8.180 nan 0.000 0.555 397 K N 3.630 123.995 120.400 -0.060 0.000 2.724 397 K HA 0.288 4.608 4.320 -0.000 0.000 0.198 397 K C -0.671 175.921 176.600 -0.013 0.000 1.099 397 K CA -0.310 55.891 56.287 -0.143 0.000 1.025 397 K CB 0.418 32.854 32.500 -0.107 0.000 1.509 397 K HN 0.581 nan 8.250 nan 0.000 0.564 398 S N -0.854 114.898 115.700 0.086 0.000 2.564 398 S HA 0.262 4.732 4.470 -0.000 0.000 0.274 398 S C -1.041 173.668 174.600 0.182 0.000 1.124 398 S CA -1.095 57.192 58.200 0.145 0.000 0.869 398 S CB 2.025 65.334 63.200 0.182 0.000 1.105 398 S HN 0.282 nan 8.310 nan 0.000 0.472 399 D N 0.978 121.447 120.400 0.115 0.000 2.390 399 D HA 0.227 4.867 4.640 -0.000 0.000 0.249 399 D C 0.673 177.051 176.300 0.131 0.000 1.144 399 D CA -0.217 53.848 54.000 0.109 0.000 0.880 399 D CB 0.581 41.418 40.800 0.063 0.000 1.182 399 D HN 0.724 nan 8.370 nan 0.000 0.451 400 I N 0.491 121.152 120.570 0.151 0.000 4.338 400 I HA 0.056 4.226 4.170 -0.000 0.000 0.329 400 I C 1.417 177.583 176.117 0.081 0.000 1.378 400 I CA -0.478 60.888 61.300 0.109 0.000 1.170 400 I CB 0.216 38.285 38.000 0.114 0.000 1.206 400 I HN 0.145 nan 8.210 nan 0.000 0.432 401 S N 0.263 116.012 115.700 0.083 0.000 2.584 401 S HA 0.007 4.477 4.470 -0.000 0.000 0.240 401 S C 1.352 175.982 174.600 0.050 0.000 0.975 401 S CA 1.062 59.301 58.200 0.065 0.000 0.949 401 S CB -0.545 62.688 63.200 0.054 0.000 0.761 401 S HN 0.524 nan 8.310 nan 0.000 0.536 402 S N 0.110 115.837 115.700 0.046 0.000 2.603 402 S HA 0.297 4.766 4.470 -0.000 0.000 0.232 402 S C 0.246 174.869 174.600 0.039 0.000 1.016 402 S CA -0.420 57.804 58.200 0.039 0.000 0.976 402 S CB 0.496 63.715 63.200 0.033 0.000 0.921 402 S HN 0.366 nan 8.310 nan 0.000 0.516 403 V N 3.614 123.549 119.914 0.035 0.000 2.529 403 V HA 0.178 4.297 4.120 -0.000 0.000 0.292 403 V C 1.233 177.355 176.094 0.048 0.000 1.028 403 V CA 0.238 62.554 62.300 0.026 0.000 1.074 403 V CB 0.557 32.379 31.823 -0.002 0.000 0.958 403 V HN 0.292 nan 8.190 nan 0.000 0.481 404 R N 2.524 123.056 120.500 0.054 0.000 2.167 404 R HA 0.212 4.551 4.340 -0.000 0.000 0.201 404 R C 0.336 176.697 176.300 0.102 0.000 1.024 404 R CA 0.174 56.323 56.100 0.083 0.000 1.053 404 R CB -0.023 30.321 30.300 0.073 0.000 0.987 404 R HN 0.618 nan 8.270 nan 0.000 0.493 405 N N 0.074 118.820 118.700 0.076 0.000 2.489 405 N HA 0.053 4.793 4.740 -0.000 0.000 0.284 405 N C 0.324 175.897 175.510 0.105 0.000 1.158 405 N CA -0.290 52.816 53.050 0.095 0.000 0.965 405 N CB 0.678 39.203 38.487 0.062 0.000 1.195 405 N HN -0.101 nan 8.380 nan 0.000 0.506 406 Y N 1.232 121.538 120.300 0.011 0.000 2.109 406 Y HA -0.180 4.370 4.550 -0.000 0.000 0.285 406 Y C 2.015 177.897 175.900 -0.030 0.000 1.131 406 Y CA 1.982 60.075 58.100 -0.013 0.000 1.121 406 Y CB -0.587 37.867 38.460 -0.011 0.000 0.987 406 Y HN 0.618 nan 8.280 nan 0.000 0.495 407 S N -0.350 115.312 115.700 -0.063 0.000 2.465 407 S HA -0.179 4.291 4.470 -0.000 0.000 0.241 407 S C 1.311 175.817 174.600 -0.156 0.000 1.000 407 S CA 1.320 59.430 58.200 -0.150 0.000 0.964 407 S CB -0.385 62.806 63.200 -0.015 0.000 0.763 407 S HN 0.496 nan 8.310 nan 0.000 0.512 408 D N 1.093 121.424 120.400 -0.115 0.000 2.347 408 D HA 0.195 4.835 4.640 -0.000 0.000 0.215 408 D C 0.412 176.629 176.300 -0.139 0.000 0.976 408 D CA 0.180 54.126 54.000 -0.090 0.000 0.884 408 D CB -0.132 40.645 40.800 -0.039 0.000 0.915 408 D HN 0.408 nan 8.370 nan 0.000 0.526 409 L N 1.440 122.519 121.223 -0.240 0.000 2.397 409 L HA 0.197 4.537 4.340 -0.000 0.000 0.271 409 L C -1.957 174.732 176.870 -0.302 0.000 1.148 409 L CA -1.679 52.978 54.840 -0.304 0.000 0.825 409 L CB 0.434 42.229 42.059 -0.439 0.000 1.117 409 L HN -0.283 nan 8.230 nan 0.000 0.456 410 P HA -0.048 nan 4.420 nan 0.000 0.266 410 P C -0.004 177.166 177.300 -0.218 0.000 1.193 410 P CA -0.044 62.941 63.100 -0.192 0.000 0.770 410 P CB 0.613 32.227 31.700 -0.144 0.000 0.836 411 K N 3.464 123.798 120.400 -0.110 0.000 2.103 411 K HA -0.171 4.148 4.320 -0.000 0.000 0.207 411 K C 1.849 178.417 176.600 -0.054 0.000 1.048 411 K CA 2.036 58.269 56.287 -0.089 0.000 0.930 411 K CB -1.044 31.435 32.500 -0.035 0.000 0.716 411 K HN 0.456 nan 8.250 nan 0.000 0.444 412 A N 0.218 123.050 122.820 0.020 0.000 1.972 412 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 412 A C 2.308 179.938 177.584 0.077 0.000 1.169 412 A CA 1.984 54.100 52.037 0.133 0.000 0.635 412 A CB -0.889 18.288 19.000 0.295 0.000 0.810 412 A HN 0.403 nan 8.150 nan 0.000 0.446 413 A N -0.637 121.999 122.820 -0.306 0.000 1.873 413 A HA -0.178 4.142 4.320 -0.000 0.000 0.215 413 A C 2.124 179.537 177.584 -0.286 0.000 1.186 413 A CA 1.513 53.077 52.037 -0.789 0.000 0.616 413 A CB -0.603 17.523 19.000 -1.457 0.000 0.823 413 A HN 0.629 nan 8.150 nan 0.000 0.442 414 Q N -0.480 119.160 119.800 -0.265 0.000 2.061 414 Q HA -0.274 4.066 4.340 -0.000 0.000 0.204 414 Q C 2.321 178.342 176.000 0.034 0.000 0.984 414 Q CA 1.885 57.600 55.803 -0.148 0.000 0.846 414 Q CB -0.314 28.272 28.738 -0.254 0.000 0.902 414 Q HN 0.764 nan 8.270 nan 0.000 0.421 415 Q N -0.434 119.387 119.800 0.035 0.000 2.135 415 Q HA -0.223 4.116 4.340 -0.000 0.000 0.204 415 Q C 1.876 177.957 176.000 0.135 0.000 0.981 415 Q CA 1.491 57.344 55.803 0.084 0.000 0.856 415 Q CB -0.267 28.523 28.738 0.087 0.000 0.902 415 Q HN 0.394 nan 8.270 nan 0.000 0.425 416 Y N 0.930 121.263 120.300 0.055 0.000 2.145 416 Y HA -0.260 4.290 4.550 -0.000 0.000 0.286 416 Y C 2.112 178.061 175.900 0.083 0.000 1.145 416 Y CA 1.237 59.400 58.100 0.105 0.000 1.148 416 Y CB -0.342 38.230 38.460 0.187 0.000 0.981 416 Y HN -0.154 nan 8.280 nan 0.000 0.507 417 V N 0.640 120.619 119.914 0.108 0.000 2.255 417 V HA -0.328 3.791 4.120 -0.000 0.000 0.247 417 V C 2.107 178.182 176.094 -0.032 0.000 1.051 417 V CA 2.453 64.771 62.300 0.030 0.000 1.018 417 V CB -0.680 31.230 31.823 0.145 0.000 0.641 417 V HN 0.428 nan 8.190 nan 0.000 0.445 418 E N -0.333 119.880 120.200 0.022 0.000 2.204 418 E HA -0.248 4.102 4.350 -0.000 0.000 0.195 418 E C 2.325 178.903 176.600 -0.037 0.000 0.990 418 E CA 0.941 57.338 56.400 -0.004 0.000 0.821 418 E CB -0.157 29.566 29.700 0.038 0.000 0.750 418 E HN 0.321 nan 8.360 nan 0.000 0.477 419 R N 1.271 121.740 120.500 -0.051 0.000 2.090 419 R HA -0.035 4.305 4.340 -0.000 0.000 0.228 419 R C 1.898 178.136 176.300 -0.105 0.000 1.110 419 R CA 1.098 57.160 56.100 -0.064 0.000 0.973 419 R CB -0.352 29.918 30.300 -0.051 0.000 0.869 419 R HN 0.158 nan 8.270 nan 0.000 0.440 420 I N 0.498 120.963 120.570 -0.175 0.000 2.286 420 I HA -0.225 3.945 4.170 -0.000 0.000 0.248 420 I C 1.809 177.864 176.117 -0.104 0.000 1.115 420 I CA 1.541 62.743 61.300 -0.163 0.000 1.392 420 I CB -0.292 37.577 38.000 -0.218 0.000 1.065 420 I HN 0.282 nan 8.210 nan 0.000 0.418 421 E N 0.423 120.563 120.200 -0.100 0.000 2.106 421 E HA -0.252 4.098 4.350 -0.000 0.000 0.192 421 E C 1.983 178.543 176.600 -0.066 0.000 0.984 421 E CA 0.999 57.345 56.400 -0.090 0.000 0.806 421 E CB -0.023 29.614 29.700 -0.104 0.000 0.750 421 E HN 0.342 nan 8.360 nan 0.000 0.458 422 E N 1.219 121.385 120.200 -0.056 0.000 2.072 422 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 422 E C 1.920 178.500 176.600 -0.034 0.000 0.985 422 E CA 0.940 57.317 56.400 -0.039 0.000 0.801 422 E CB -0.105 29.578 29.700 -0.029 0.000 0.750 422 E HN 0.187 nan 8.360 nan 0.000 0.452 423 L N -0.681 120.520 121.223 -0.037 0.000 2.109 423 L HA -0.078 4.262 4.340 -0.000 0.000 0.207 423 L C 2.326 179.179 176.870 -0.028 0.000 1.086 423 L CA 0.640 55.462 54.840 -0.029 0.000 0.760 423 L CB -0.233 41.809 42.059 -0.028 0.000 0.910 423 L HN 0.073 nan 8.230 nan 0.000 0.437 424 V N -0.658 119.235 119.914 -0.035 0.000 2.500 424 V HA 0.105 4.225 4.120 -0.000 0.000 0.243 424 V C 1.775 177.853 176.094 -0.027 0.000 1.039 424 V CA 1.512 63.795 62.300 -0.028 0.000 1.053 424 V CB -0.048 31.756 31.823 -0.031 0.000 0.695 424 V HN 0.675 nan 8.190 nan 0.000 0.463 425 G N -0.284 108.494 108.800 -0.036 0.000 2.194 425 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.236 425 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.236 425 G C 0.159 175.037 174.900 -0.036 0.000 0.987 425 G CA 0.082 45.162 45.100 -0.034 0.000 0.635 425 G HN 0.482 nan 8.290 nan 0.000 0.520 426 V N 3.064 122.954 119.914 -0.040 0.000 2.398 426 V HA 0.585 4.705 4.120 -0.000 0.000 0.286 426 V C -1.557 174.474 176.094 -0.105 0.000 1.026 426 V CA -1.666 60.609 62.300 -0.043 0.000 0.868 426 V CB 1.860 33.685 31.823 0.003 0.000 0.982 426 V HN 0.226 nan 8.190 nan 0.000 0.443 427 P HA 0.308 nan 4.420 nan 0.000 0.275 427 P C -0.704 176.341 177.300 -0.424 0.000 1.227 427 P CA -0.098 62.813 63.100 -0.314 0.000 0.781 427 P CB 1.227 32.685 31.700 -0.403 0.000 0.906 428 I N 3.475 123.801 120.570 -0.406 0.000 2.304 428 I HA 0.173 4.343 4.170 -0.000 0.000 0.291 428 I C 1.181 177.025 176.117 -0.454 0.000 1.018 428 I CA -0.368 60.734 61.300 -0.329 0.000 1.260 428 I CB 0.442 38.328 38.000 -0.190 0.000 1.390 428 I HN 0.481 nan 8.210 nan 0.000 0.475 429 H N 4.526 123.421 119.070 -0.293 0.000 2.648 429 H HA 0.222 4.778 4.556 -0.000 0.000 0.265 429 H C -0.958 173.828 175.328 -0.903 0.000 0.961 429 H CA 0.210 55.899 56.048 -0.598 0.000 1.185 429 H CB 0.448 29.767 29.762 -0.738 0.000 1.449 429 H HN 0.435 nan 8.280 nan 0.000 0.523 430 Y N 0.517 120.767 120.300 -0.084 0.000 2.373 430 Y HA 0.428 4.978 4.550 -0.000 0.000 0.336 430 Y C -0.825 174.995 175.900 -0.134 0.000 0.979 430 Y CA -1.032 56.954 58.100 -0.189 0.000 1.080 430 Y CB 1.625 39.961 38.460 -0.206 0.000 1.190 430 Y HN -0.104 nan 8.280 nan 0.000 0.446 431 I N 2.845 123.416 120.570 0.002 0.000 2.410 431 I HA 0.524 4.694 4.170 -0.000 0.000 0.286 431 I C 0.344 176.485 176.117 0.041 0.000 1.009 431 I CA -0.804 60.518 61.300 0.038 0.000 1.111 431 I CB 1.902 39.944 38.000 0.069 0.000 1.262 431 I HN 0.837 nan 8.210 nan 0.000 0.443 432 G N 5.994 114.827 108.800 0.054 0.000 2.338 432 G HA2 0.569 4.529 3.960 -0.000 0.000 0.298 432 G HA3 0.569 4.529 3.960 -0.000 0.000 0.298 432 G C -0.102 174.851 174.900 0.088 0.000 1.140 432 G CA -0.223 44.913 45.100 0.058 0.000 0.860 432 G HN 0.695 nan 8.290 nan 0.000 0.470 433 I N -0.209 120.411 120.570 0.084 0.000 3.241 433 I HA 0.666 4.835 4.170 -0.000 0.000 0.333 433 I C 0.371 176.539 176.117 0.085 0.000 1.534 433 I CA -1.128 60.231 61.300 0.098 0.000 0.979 433 I CB 0.706 38.759 38.000 0.088 0.000 1.497 433 I HN 0.772 nan 8.210 nan 0.000 0.530 434 G N 1.530 110.376 108.800 0.078 0.000 2.368 434 G HA2 0.260 4.220 3.960 -0.000 0.000 0.303 434 G HA3 0.260 4.220 3.960 -0.000 0.000 0.303 434 G C -2.911 172.021 174.900 0.053 0.000 1.590 434 G CA -0.443 44.691 45.100 0.056 0.000 0.938 434 G HN -0.148 nan 8.290 nan 0.000 0.675 435 P HA 0.088 nan 4.420 nan 0.000 0.230 435 P C 1.325 178.667 177.300 0.069 0.000 1.158 435 P CA 1.077 64.221 63.100 0.074 0.000 0.769 435 P CB 0.166 31.892 31.700 0.043 0.000 0.807 436 G N 0.689 109.482 108.800 -0.012 0.000 2.614 436 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.239 436 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.239 436 G C 1.004 175.970 174.900 0.110 0.000 1.240 436 G CA -0.397 44.714 45.100 0.018 0.000 0.842 436 G HN 0.100 nan 8.290 nan 0.000 0.584 437 R N -0.469 120.113 120.500 0.137 0.000 2.115 437 R HA -0.052 4.287 4.340 -0.000 0.000 0.226 437 R C 1.511 177.885 176.300 0.125 0.000 1.100 437 R CA 1.636 57.821 56.100 0.142 0.000 0.980 437 R CB -0.059 30.331 30.300 0.150 0.000 0.875 437 R HN 0.624 nan 8.270 nan 0.000 0.445 438 D N -0.461 120.005 120.400 0.110 0.000 2.354 438 D HA 0.098 4.738 4.640 -0.000 0.000 0.209 438 D C -0.146 176.223 176.300 0.114 0.000 1.015 438 D CA 0.262 54.332 54.000 0.117 0.000 0.867 438 D CB 0.398 41.255 40.800 0.095 0.000 0.933 438 D HN 0.289 nan 8.370 nan 0.000 0.520 439 A N 0.780 123.655 122.820 0.091 0.000 3.048 439 A HA 0.408 4.728 4.320 -0.000 0.000 0.264 439 A C -0.458 177.174 177.584 0.080 0.000 1.796 439 A CA -0.011 52.074 52.037 0.080 0.000 1.445 439 A CB -0.763 18.273 19.000 0.060 0.000 1.074 439 A HN 0.289 nan 8.150 nan 0.000 0.621 440 L N 1.185 122.466 121.223 0.098 0.000 2.505 440 L HA 0.587 4.927 4.340 -0.000 0.000 0.266 440 L C -1.027 175.886 176.870 0.072 0.000 0.954 440 L CA -0.218 54.649 54.840 0.045 0.000 0.852 440 L CB 1.760 43.811 42.059 -0.014 0.000 1.282 440 L HN 0.383 nan 8.230 nan 0.000 0.403 441 I N 5.011 125.600 120.570 0.031 0.000 2.321 441 I HA 0.315 4.485 4.170 -0.000 0.000 0.291 441 I C -0.871 175.244 176.117 -0.004 0.000 0.998 441 I CA -0.488 60.877 61.300 0.107 0.000 1.227 441 I CB 0.937 39.017 38.000 0.132 0.000 1.368 441 I HN 0.512 nan 8.210 nan 0.000 0.466 442 Y N 6.197 126.523 120.300 0.043 0.000 2.301 442 Y HA 0.443 4.993 4.550 -0.000 0.000 0.325 442 Y C 0.383 176.220 175.900 -0.105 0.000 1.203 442 Y CA -0.122 57.948 58.100 -0.051 0.000 1.255 442 Y CB 1.223 39.659 38.460 -0.041 0.000 1.232 442 Y HN 0.491 nan 8.280 nan 0.000 0.501 443 K N 0.000 120.343 120.400 -0.095 0.000 2.780 443 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 443 K CA 0.000 56.167 56.287 -0.200 0.000 0.838 443 K CB 0.000 32.217 32.500 -0.471 0.000 1.064 443 K HN 0.000 nan 8.250 nan 0.000 0.543