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 1ctn_1_A DATA FIRST_RESID 24 DATA SEQUENCE AAPGKPTIAW GNTKFAIVEV DQAATAYNNL VKVKNAADVS VSWNLWNGDT DATA SEQUENCE GTTAKILLNG KEAWSGPSTG SSGTANFKVN KGGRYQMQVA LcNADGcTAS DATA SEQUENCE DATEIVVADT DGSHLAPLKE PLLEKNKPYK QNSGKVVGSY FVEWGVYGRN DATA SEQUENCE FTVDKIPAQN LTHLLYGFIP IcGGNGINDS LKEIEGSFQA LQRScQGRED DATA SEQUENCE FKISIHDPFA ALQKAQKGVT AWDDPYKGNF GQLMALKQAH PDLKILPSIG DATA SEQUENCE GWTLSDPFFF MGDKVKRDRF VGSVKEFLQT WKFFDGVDID WEFPGGKGAN DATA SEQUENCE PNLGSPQDGE TYVLLMKELR AMLDQLSTET GRKYELTSAI SAGKDKIDKV DATA SEQUENCE AYNVAQNSMD HIFLMSYDFY GAFDLKNLGH QTALNAPAWK PDTAYTTVNG DATA SEQUENCE VNALLAQGVK PGKIVVGTAM YGRGWTGVNG YQNNIPFTGT ATGPVKGTWE DATA SEQUENCE NGIVDYRQIA GQFMSGEWQY TYDATAEAPY VFKPSTGDLI TFDDARSVQA DATA SEQUENCE KGKYVLDKQL GGLFSWEIDA DNGDILNSMN ASLGNSAG 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 24 A HA 0.000 nan 4.320 nan 0.000 0.244 24 A C 0.000 177.580 177.584 -0.006 0.000 1.274 24 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 24 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 25 A N 0.856 123.671 122.820 -0.008 0.000 2.466 25 A HA 0.593 4.912 4.320 -0.001 0.000 0.238 25 A C -2.227 175.351 177.584 -0.010 0.000 1.074 25 A CA -0.417 51.613 52.037 -0.013 0.000 0.774 25 A CB -0.922 18.069 19.000 -0.015 0.000 1.015 25 A HN 0.545 nan 8.150 nan 0.000 0.498 26 P HA 0.254 nan 4.420 nan 0.000 0.271 26 P C 0.628 177.924 177.300 -0.007 0.000 1.233 26 P CA 0.327 63.420 63.100 -0.011 0.000 0.789 26 P CB 0.410 32.096 31.700 -0.023 0.000 0.951 27 G N 0.497 109.299 108.800 0.004 0.000 2.616 27 G HA2 0.167 4.127 3.960 -0.001 0.000 0.268 27 G HA3 0.167 4.127 3.960 -0.001 0.000 0.268 27 G C -0.629 174.273 174.900 0.004 0.000 1.213 27 G CA -0.456 44.653 45.100 0.014 0.000 0.926 27 G HN 0.407 nan 8.290 nan 0.000 0.523 28 K N 1.423 121.832 120.400 0.016 0.000 2.316 28 K HA 0.238 4.557 4.320 -0.001 0.000 0.289 28 K C -2.070 174.545 176.600 0.025 0.000 1.070 28 K CA -1.454 54.838 56.287 0.008 0.000 0.928 28 K CB 1.021 33.533 32.500 0.020 0.000 1.039 28 K HN 0.208 nan 8.250 nan 0.000 0.480 29 P HA 0.120 nan 4.420 nan 0.000 0.276 29 P C -0.951 176.381 177.300 0.054 0.000 1.244 29 P CA -0.386 62.725 63.100 0.018 0.000 0.801 29 P CB 0.990 32.643 31.700 -0.079 0.000 1.006 30 T N 2.514 117.133 114.554 0.108 0.000 2.770 30 T HA 0.412 4.761 4.350 -0.001 0.000 0.283 30 T C 0.539 175.286 174.700 0.079 0.000 0.988 30 T CA -0.412 61.757 62.100 0.116 0.000 0.957 30 T CB 0.008 69.050 68.868 0.290 0.000 0.930 30 T HN 0.217 nan 8.240 nan 0.000 0.443 31 I N 3.162 123.733 120.570 0.001 0.000 2.668 31 I HA 0.187 4.357 4.170 -0.001 0.000 0.285 31 I C 1.133 177.175 176.117 -0.126 0.000 1.168 31 I CA -0.245 61.047 61.300 -0.013 0.000 1.424 31 I CB 0.379 38.360 38.000 -0.032 0.000 1.377 31 I HN 0.636 nan 8.210 nan 0.000 0.560 32 A N 7.151 129.944 122.820 -0.045 0.000 2.407 32 A HA 0.200 4.519 4.320 -0.001 0.000 0.248 32 A C -0.752 176.772 177.584 -0.100 0.000 1.082 32 A CA -0.368 51.621 52.037 -0.080 0.000 0.785 32 A CB 0.149 19.148 19.000 -0.001 0.000 1.020 32 A HN 0.707 nan 8.150 nan 0.000 0.489 33 W N 0.994 122.353 121.300 0.098 0.000 2.223 33 W HA 0.432 5.092 4.660 -0.001 0.000 0.334 33 W C 0.903 177.461 176.519 0.065 0.000 1.334 33 W CA 1.515 58.907 57.345 0.077 0.000 1.246 33 W CB 0.653 30.154 29.460 0.068 0.000 1.184 33 W HN 1.060 nan 8.180 nan 0.000 0.563 34 G N 1.864 110.866 108.800 0.337 0.000 2.356 34 G HA2 0.021 3.980 3.960 -0.001 0.000 0.294 34 G HA3 0.021 3.980 3.960 -0.001 0.000 0.294 34 G C -1.601 173.391 174.900 0.154 0.000 1.423 34 G CA -1.270 43.953 45.100 0.204 0.000 0.806 34 G HN 0.559 nan 8.290 nan 0.000 0.527 35 N N -0.786 117.967 118.700 0.089 0.000 2.458 35 N HA 0.177 4.917 4.740 -0.001 0.000 0.258 35 N C 0.945 176.389 175.510 -0.110 0.000 1.219 35 N CA 1.028 54.046 53.050 -0.053 0.000 0.902 35 N CB 0.697 39.118 38.487 -0.110 0.000 1.076 35 N HN 0.659 nan 8.380 nan 0.000 0.455 36 T N -0.227 114.182 114.554 -0.242 0.000 3.200 36 T HA 0.240 4.589 4.350 -0.001 0.000 0.284 36 T C -0.103 174.305 174.700 -0.488 0.000 1.009 36 T CA -0.361 61.621 62.100 -0.197 0.000 0.907 36 T CB 0.093 68.980 68.868 0.031 0.000 1.120 36 T HN 0.396 nan 8.240 nan 0.000 0.534 37 K N 1.295 121.159 120.400 -0.895 0.000 2.450 37 K HA 0.624 4.944 4.320 -0.001 0.000 0.257 37 K C -1.595 174.398 176.600 -1.011 0.000 0.953 37 K CA -0.588 55.279 56.287 -0.699 0.000 0.844 37 K CB 1.473 33.682 32.500 -0.485 0.000 1.103 37 K HN 0.162 nan 8.250 nan 0.000 0.429 38 F N 0.722 120.591 119.950 -0.135 0.000 2.611 38 F HA 0.698 5.224 4.527 -0.001 0.000 0.324 38 F C -0.015 175.685 175.800 -0.168 0.000 1.061 38 F CA -1.124 56.791 58.000 -0.141 0.000 0.954 38 F CB 1.854 40.776 39.000 -0.130 0.000 1.301 38 F HN 0.412 nan 8.300 nan 0.000 0.482 39 A N 1.229 124.058 122.820 0.014 0.000 2.414 39 A HA 0.705 5.025 4.320 -0.001 0.000 0.306 39 A C 0.136 177.723 177.584 0.006 0.000 1.054 39 A CA -0.561 51.442 52.037 -0.057 0.000 0.724 39 A CB 0.864 19.770 19.000 -0.157 0.000 1.267 39 A HN 0.816 nan 8.150 nan 0.000 0.418 40 I N 1.004 121.589 120.570 0.024 0.000 2.277 40 I HA -0.032 4.137 4.170 -0.001 0.000 0.243 40 I C 0.144 176.268 176.117 0.012 0.000 1.094 40 I CA 1.106 62.419 61.300 0.022 0.000 1.393 40 I CB 0.089 38.107 38.000 0.029 0.000 1.078 40 I HN 0.334 nan 8.210 nan 0.000 0.417 41 V N 2.641 122.583 119.914 0.047 0.000 2.347 41 V HA 0.217 4.337 4.120 -0.001 0.000 0.280 41 V C -0.307 175.858 176.094 0.118 0.000 1.021 41 V CA -0.519 61.791 62.300 0.017 0.000 0.847 41 V CB 1.011 32.771 31.823 -0.105 0.000 0.990 41 V HN 0.203 nan 8.190 nan 0.000 0.444 42 E N 3.272 123.500 120.200 0.047 0.000 2.191 42 E HA 0.577 4.927 4.350 -0.001 0.000 0.274 42 E C -1.225 175.423 176.600 0.080 0.000 0.948 42 E CA -0.751 55.679 56.400 0.051 0.000 0.802 42 E CB 2.694 32.400 29.700 0.010 0.000 1.137 42 E HN 0.414 nan 8.360 nan 0.000 0.397 43 V N 2.791 122.769 119.914 0.106 0.000 2.347 43 V HA 0.065 4.185 4.120 -0.001 0.000 0.280 43 V C -0.137 176.006 176.094 0.082 0.000 1.021 43 V CA -0.752 61.628 62.300 0.134 0.000 0.847 43 V CB 1.328 33.286 31.823 0.224 0.000 0.990 43 V HN 0.634 nan 8.190 nan 0.000 0.444 44 D N 4.123 124.564 120.400 0.067 0.000 2.348 44 D HA 0.092 4.731 4.640 -0.001 0.000 0.253 44 D C 0.885 177.232 176.300 0.078 0.000 1.161 44 D CA -0.027 54.009 54.000 0.059 0.000 0.876 44 D CB 1.546 42.373 40.800 0.044 0.000 1.160 44 D HN 0.444 nan 8.370 nan 0.000 0.459 45 Q N 2.202 122.050 119.800 0.080 0.000 2.451 45 Q HA 0.104 4.444 4.340 -0.001 0.000 0.206 45 Q C 0.058 176.112 176.000 0.089 0.000 0.947 45 Q CA 0.380 56.240 55.803 0.096 0.000 0.937 45 Q CB 0.572 29.373 28.738 0.105 0.000 1.025 45 Q HN 0.505 nan 8.270 nan 0.000 0.511 46 A N 0.252 123.115 122.820 0.071 0.000 3.297 46 A HA 0.685 5.005 4.320 -0.001 0.000 0.304 46 A C -0.582 177.035 177.584 0.055 0.000 0.963 46 A CA -0.084 51.988 52.037 0.058 0.000 0.935 46 A CB 0.276 19.302 19.000 0.044 0.000 1.093 46 A HN 0.037 nan 8.150 nan 0.000 0.480 47 A N -0.183 122.677 122.820 0.068 0.000 2.517 47 A HA 0.673 4.993 4.320 -0.001 0.000 0.297 47 A C 0.460 178.095 177.584 0.084 0.000 1.050 47 A CA 0.301 52.377 52.037 0.065 0.000 0.694 47 A CB 0.654 19.688 19.000 0.057 0.000 1.277 47 A HN 0.962 nan 8.150 nan 0.000 0.400 48 T N -1.193 113.410 114.554 0.081 0.000 2.969 48 T HA 0.523 4.872 4.350 -0.001 0.000 0.250 48 T C 0.840 175.608 174.700 0.113 0.000 1.021 48 T CA 0.881 63.039 62.100 0.097 0.000 1.003 48 T CB 0.071 68.985 68.868 0.077 0.000 1.040 48 T HN 1.692 nan 8.240 nan 0.000 0.492 49 A N 0.998 123.878 122.820 0.100 0.000 2.328 49 A HA 0.573 4.892 4.320 -0.001 0.000 0.284 49 A C 0.771 178.451 177.584 0.159 0.000 1.160 49 A CA -0.698 51.411 52.037 0.121 0.000 0.818 49 A CB 0.084 19.136 19.000 0.086 0.000 1.087 49 A HN 0.332 nan 8.150 nan 0.000 0.504 50 Y N 3.312 123.672 120.300 0.100 0.000 2.096 50 Y HA -0.337 4.213 4.550 -0.001 0.000 0.278 50 Y C 1.959 177.940 175.900 0.135 0.000 1.192 50 Y CA 2.927 61.112 58.100 0.142 0.000 1.143 50 Y CB -0.177 38.379 38.460 0.159 0.000 0.963 50 Y HN 0.798 nan 8.280 nan 0.000 0.505 51 N N 0.357 119.141 118.700 0.141 0.000 2.192 51 N HA -0.188 4.551 4.740 -0.001 0.000 0.188 51 N C 0.964 176.467 175.510 -0.012 0.000 1.013 51 N CA 1.880 54.963 53.050 0.056 0.000 0.863 51 N CB -0.460 38.089 38.487 0.103 0.000 0.990 51 N HN 0.626 nan 8.380 nan 0.000 0.430 52 N N -0.946 117.757 118.700 0.004 0.000 2.282 52 N HA 0.109 4.849 4.740 -0.001 0.000 0.185 52 N C 1.190 176.696 175.510 -0.006 0.000 1.099 52 N CA -0.169 52.883 53.050 0.004 0.000 0.878 52 N CB 0.443 38.947 38.487 0.028 0.000 0.993 52 N HN 0.048 nan 8.380 nan 0.000 0.481 53 L N 0.502 121.708 121.223 -0.030 0.000 2.209 53 L HA 0.180 4.520 4.340 -0.001 0.000 0.207 53 L C -0.089 176.770 176.870 -0.018 0.000 1.094 53 L CA 0.853 55.694 54.840 0.001 0.000 0.790 53 L CB 0.431 42.512 42.059 0.037 0.000 0.932 53 L HN -0.190 nan 8.230 nan 0.000 0.447 54 V N 0.455 120.293 119.914 -0.126 0.000 2.555 54 V HA 0.461 4.581 4.120 -0.001 0.000 0.302 54 V C -0.866 175.164 176.094 -0.107 0.000 1.038 54 V CA -0.721 61.512 62.300 -0.112 0.000 0.887 54 V CB 1.597 33.283 31.823 -0.228 0.000 0.991 54 V HN 0.087 nan 8.190 nan 0.000 0.434 55 K N 3.395 123.752 120.400 -0.070 0.000 2.559 55 K HA 0.557 4.877 4.320 -0.001 0.000 0.249 55 K C -0.988 175.568 176.600 -0.074 0.000 0.958 55 K CA -0.411 55.841 56.287 -0.059 0.000 0.901 55 K CB 1.804 34.288 32.500 -0.028 0.000 1.124 55 K HN 0.382 nan 8.250 nan 0.000 0.437 56 V N 3.764 123.623 119.914 -0.091 0.000 2.408 56 V HA 0.265 4.384 4.120 -0.001 0.000 0.267 56 V C 0.172 176.233 176.094 -0.055 0.000 1.047 56 V CA -0.442 61.801 62.300 -0.096 0.000 0.937 56 V CB 0.413 32.160 31.823 -0.127 0.000 0.999 56 V HN 0.566 nan 8.190 nan 0.000 0.472 57 K N 3.126 123.501 120.400 -0.042 0.000 2.211 57 K HA 0.445 4.764 4.320 -0.001 0.000 0.237 57 K C 0.547 177.133 176.600 -0.024 0.000 1.002 57 K CA -0.684 55.587 56.287 -0.027 0.000 0.885 57 K CB 1.020 33.508 32.500 -0.020 0.000 1.136 57 K HN 0.507 nan 8.250 nan 0.000 0.448 58 N N -0.015 118.675 118.700 -0.016 0.000 2.333 58 N HA 0.046 4.785 4.740 -0.001 0.000 0.178 58 N C -0.517 174.991 175.510 -0.005 0.000 1.018 58 N CA 0.391 53.435 53.050 -0.010 0.000 0.882 58 N CB 0.424 38.907 38.487 -0.005 0.000 0.984 58 N HN 0.477 nan 8.380 nan 0.000 0.434 59 A N -0.494 122.320 122.820 -0.009 0.000 2.606 59 A HA 0.813 5.133 4.320 -0.001 0.000 0.293 59 A C -1.282 176.286 177.584 -0.026 0.000 1.082 59 A CA -0.793 51.238 52.037 -0.010 0.000 0.685 59 A CB 0.816 19.809 19.000 -0.012 0.000 1.284 59 A HN 0.149 nan 8.150 nan 0.000 0.408 60 A N 0.501 123.301 122.820 -0.033 0.000 2.371 60 A HA 0.547 4.866 4.320 -0.001 0.000 0.257 60 A C -0.504 176.992 177.584 -0.146 0.000 1.089 60 A CA -0.243 51.763 52.037 -0.052 0.000 0.794 60 A CB 0.107 19.099 19.000 -0.014 0.000 1.029 60 A HN 0.651 nan 8.150 nan 0.000 0.488 61 D N 1.890 122.194 120.400 -0.160 0.000 2.428 61 D HA 0.369 5.009 4.640 -0.001 0.000 0.221 61 D C -0.503 175.484 176.300 -0.521 0.000 1.123 61 D CA 0.205 54.050 54.000 -0.257 0.000 0.869 61 D CB 1.267 41.985 40.800 -0.136 0.000 1.032 61 D HN 0.174 nan 8.370 nan 0.000 0.506 62 V N 1.461 120.825 119.914 -0.916 0.000 2.617 62 V HA 0.467 4.586 4.120 -0.001 0.000 0.298 62 V C 0.446 175.832 176.094 -1.181 0.000 1.048 62 V CA -0.407 60.962 62.300 -1.552 0.000 0.964 62 V CB 1.953 32.739 31.823 -1.728 0.000 1.004 62 V HN 0.383 nan 8.190 nan 0.000 0.466 63 S N 1.860 117.033 115.700 -0.879 0.000 2.548 63 S HA 0.850 5.320 4.470 -0.001 0.000 0.276 63 S C -1.145 173.367 174.600 -0.146 0.000 1.129 63 S CA -0.438 57.534 58.200 -0.380 0.000 0.931 63 S CB 1.649 64.749 63.200 -0.166 0.000 1.068 63 S HN 0.562 nan 8.310 nan 0.000 0.480 64 V N 2.150 122.033 119.914 -0.050 0.000 3.049 64 V HA 0.770 4.890 4.120 -0.001 0.000 0.309 64 V C -0.406 175.701 176.094 0.022 0.000 1.148 64 V CA -0.803 61.537 62.300 0.067 0.000 0.990 64 V CB 2.060 33.992 31.823 0.181 0.000 1.039 64 V HN 0.762 nan 8.190 nan 0.000 0.430 65 S N 1.418 117.136 115.700 0.030 0.000 2.570 65 S HA 0.881 5.351 4.470 -0.001 0.000 0.286 65 S C -1.546 173.079 174.600 0.041 0.000 1.099 65 S CA -0.637 57.477 58.200 -0.142 0.000 0.913 65 S CB 1.933 65.030 63.200 -0.172 0.000 1.085 65 S HN 0.948 nan 8.310 nan 0.000 0.480 66 W N 1.107 122.347 121.300 -0.100 0.000 3.083 66 W HA 0.739 5.398 4.660 -0.001 0.000 0.333 66 W C -1.489 174.929 176.519 -0.169 0.000 1.217 66 W CA -0.616 56.661 57.345 -0.113 0.000 1.170 66 W CB 0.708 30.110 29.460 -0.096 0.000 1.437 66 W HN 0.349 nan 8.180 nan 0.000 0.557 67 N N 1.934 120.607 118.700 -0.045 0.000 2.258 67 N HA 0.471 5.211 4.740 -0.001 0.000 0.299 67 N C -2.111 173.193 175.510 -0.342 0.000 1.047 67 N CA -0.701 52.106 53.050 -0.406 0.000 0.814 67 N CB 2.558 40.566 38.487 -0.799 0.000 1.413 67 N HN 0.598 nan 8.380 nan 0.000 0.478 68 L N 2.044 123.049 121.223 -0.364 0.000 2.301 68 L HA 0.427 4.766 4.340 -0.001 0.000 0.278 68 L C -0.157 176.533 176.870 -0.299 0.000 1.022 68 L CA -0.362 54.368 54.840 -0.183 0.000 0.854 68 L CB 0.387 42.433 42.059 -0.022 0.000 1.226 68 L HN 0.613 nan 8.230 nan 0.000 0.429 69 W N 2.964 124.293 121.300 0.049 0.000 2.658 69 W HA 0.135 4.794 4.660 -0.001 0.000 0.263 69 W C 0.416 176.953 176.519 0.030 0.000 1.274 69 W CA -0.132 57.234 57.345 0.035 0.000 1.343 69 W CB 0.272 29.750 29.460 0.030 0.000 1.106 69 W HN 0.594 nan 8.180 nan 0.000 0.615 70 N N -0.043 118.782 118.700 0.208 0.000 2.558 70 N HA 0.532 5.271 4.740 -0.001 0.000 0.285 70 N C -0.164 175.392 175.510 0.078 0.000 1.112 70 N CA 0.082 53.213 53.050 0.135 0.000 0.857 70 N CB 1.730 40.304 38.487 0.145 0.000 1.376 70 N HN 0.041 nan 8.380 nan 0.000 0.526 71 G N 1.224 110.057 108.800 0.055 0.000 2.373 71 G HA2 -0.146 3.814 3.960 -0.001 0.000 0.634 71 G HA3 -0.146 3.814 3.960 -0.001 0.000 0.634 71 G C -1.864 173.051 174.900 0.026 0.000 1.267 71 G CA -0.870 44.252 45.100 0.036 0.000 1.008 71 G HN 0.622 nan 8.290 nan 0.000 0.497 72 D N 0.218 120.629 120.400 0.019 0.000 2.312 72 D HA 0.441 5.081 4.640 -0.001 0.000 0.252 72 D C 1.994 178.303 176.300 0.015 0.000 1.150 72 D CA 0.626 54.635 54.000 0.014 0.000 0.870 72 D CB 1.294 42.100 40.800 0.009 0.000 1.153 72 D HN 0.824 nan 8.370 nan 0.000 0.457 73 T N 1.147 115.713 114.554 0.021 0.000 3.163 73 T HA 0.285 4.635 4.350 -0.001 0.000 0.260 73 T C 1.122 175.839 174.700 0.029 0.000 1.156 73 T CA 0.463 62.584 62.100 0.035 0.000 1.072 73 T CB -0.610 68.292 68.868 0.056 0.000 0.937 73 T HN 0.702 nan 8.240 nan 0.000 0.528 74 G N -0.043 108.764 108.800 0.011 0.000 2.698 74 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.233 74 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.233 74 G C 0.400 175.304 174.900 0.008 0.000 1.352 74 G CA 0.055 45.154 45.100 -0.001 0.000 0.879 74 G HN 0.382 nan 8.290 nan 0.000 0.567 75 T N -0.339 114.212 114.554 -0.004 0.000 2.964 75 T HA 0.455 4.805 4.350 -0.001 0.000 0.250 75 T C 0.948 175.644 174.700 -0.008 0.000 0.982 75 T CA 2.037 64.136 62.100 -0.003 0.000 0.959 75 T CB -0.071 68.789 68.868 -0.013 0.000 1.141 75 T HN 1.701 nan 8.240 nan 0.000 0.494 76 T N 0.188 114.726 114.554 -0.026 0.000 2.886 76 T HA 0.830 5.179 4.350 -0.001 0.000 0.292 76 T C -0.896 173.771 174.700 -0.055 0.000 1.012 76 T CA -0.759 61.312 62.100 -0.049 0.000 0.982 76 T CB 1.929 70.741 68.868 -0.093 0.000 1.018 76 T HN 0.117 nan 8.240 nan 0.000 0.451 77 A N 3.283 126.090 122.820 -0.023 0.000 2.312 77 A HA 0.818 5.138 4.320 -0.001 0.000 0.326 77 A C -0.235 177.325 177.584 -0.040 0.000 1.172 77 A CA -0.875 51.128 52.037 -0.057 0.000 0.821 77 A CB 0.798 19.858 19.000 0.101 0.000 1.166 77 A HN 0.884 nan 8.150 nan 0.000 0.493 78 K N 1.799 122.132 120.400 -0.111 0.000 2.422 78 K HA 0.585 4.904 4.320 -0.001 0.000 0.251 78 K C -1.234 175.322 176.600 -0.072 0.000 0.933 78 K CA -0.516 55.740 56.287 -0.051 0.000 0.798 78 K CB 2.211 34.638 32.500 -0.122 0.000 1.238 78 K HN 0.575 nan 8.250 nan 0.000 0.428 79 I N 4.285 124.857 120.570 0.003 0.000 2.354 79 I HA 0.352 4.521 4.170 -0.001 0.000 0.292 79 I C -0.467 175.527 176.117 -0.204 0.000 0.989 79 I CA -0.659 60.545 61.300 -0.160 0.000 1.188 79 I CB 0.881 38.679 38.000 -0.338 0.000 1.342 79 I HN 0.429 nan 8.210 nan 0.000 0.457 80 L N 6.665 127.798 121.223 -0.151 0.000 2.346 80 L HA 0.572 4.912 4.340 -0.001 0.000 0.276 80 L C -0.595 176.230 176.870 -0.074 0.000 1.006 80 L CA -0.702 54.069 54.840 -0.115 0.000 0.817 80 L CB 2.331 44.343 42.059 -0.079 0.000 1.272 80 L HN 0.361 nan 8.230 nan 0.000 0.421 81 L N 4.074 125.258 121.223 -0.064 0.000 2.294 81 L HA 0.397 4.736 4.340 -0.001 0.000 0.283 81 L C -0.293 176.624 176.870 0.078 0.000 1.015 81 L CA -0.636 54.205 54.840 0.001 0.000 0.831 81 L CB 1.105 43.082 42.059 -0.136 0.000 1.217 81 L HN 0.696 nan 8.230 nan 0.000 0.420 82 N N 3.010 121.780 118.700 0.116 0.000 2.727 82 N HA -0.206 4.534 4.740 -0.001 0.000 0.249 82 N C 1.033 176.569 175.510 0.044 0.000 1.048 82 N CA 1.216 54.323 53.050 0.096 0.000 0.714 82 N CB -1.021 37.550 38.487 0.141 0.000 0.959 82 N HN 1.098 nan 8.380 nan 0.000 0.544 83 G N -1.261 107.548 108.800 0.015 0.000 2.168 83 G HA2 -0.387 3.572 3.960 -0.001 0.000 0.263 83 G HA3 -0.387 3.572 3.960 -0.001 0.000 0.263 83 G C 0.036 174.923 174.900 -0.022 0.000 0.977 83 G CA 1.043 46.137 45.100 -0.009 0.000 0.659 83 G HN 0.730 nan 8.290 nan 0.000 0.533 84 K N 0.767 121.154 120.400 -0.021 0.000 2.274 84 K HA 0.521 4.841 4.320 -0.001 0.000 0.262 84 K C 0.335 176.892 176.600 -0.073 0.000 0.961 84 K CA -0.755 55.511 56.287 -0.036 0.000 0.833 84 K CB 0.873 33.365 32.500 -0.013 0.000 1.102 84 K HN 0.225 nan 8.250 nan 0.000 0.436 85 E N 2.981 123.128 120.200 -0.088 0.000 2.480 85 E HA -0.021 4.328 4.350 -0.001 0.000 0.258 85 E C -0.254 176.250 176.600 -0.159 0.000 0.984 85 E CA 0.233 56.558 56.400 -0.125 0.000 0.930 85 E CB 0.762 30.391 29.700 -0.117 0.000 0.936 85 E HN 0.742 nan 8.360 nan 0.000 0.466 86 A N 4.935 127.601 122.820 -0.256 0.000 2.259 86 A HA 0.152 4.471 4.320 -0.001 0.000 0.213 86 A C -0.426 176.974 177.584 -0.308 0.000 1.209 86 A CA -0.180 51.648 52.037 -0.348 0.000 0.910 86 A CB 0.234 18.858 19.000 -0.627 0.000 0.946 86 A HN 0.742 nan 8.150 nan 0.000 0.497 87 W N -1.300 119.696 121.300 -0.507 0.000 3.248 87 W HA 0.619 5.279 4.660 -0.001 0.000 0.311 87 W C -1.290 175.095 176.519 -0.223 0.000 1.258 87 W CA -0.135 57.010 57.345 -0.334 0.000 1.191 87 W CB 1.159 30.368 29.460 -0.419 0.000 1.389 87 W HN -0.038 nan 8.180 nan 0.000 0.561 88 S N 2.050 117.123 115.700 -1.045 0.000 2.536 88 S HA 0.869 5.339 4.470 -0.001 0.000 0.271 88 S C -0.697 173.028 174.600 -1.459 0.000 1.134 88 S CA 0.004 57.623 58.200 -0.969 0.000 0.897 88 S CB 1.332 64.230 63.200 -0.504 0.000 1.094 88 S HN 1.201 nan 8.310 nan 0.000 0.473 89 G N 2.731 110.927 108.800 -1.006 0.000 2.523 89 G HA2 0.594 4.553 3.960 -0.001 0.000 0.291 89 G HA3 0.594 4.553 3.960 -0.001 0.000 0.291 89 G C -3.580 171.225 174.900 -0.157 0.000 1.450 89 G CA -0.873 43.876 45.100 -0.584 0.000 0.790 89 G HN 0.479 nan 8.290 nan 0.000 0.496 90 P HA 0.290 nan 4.420 nan 0.000 0.268 90 P C -0.143 177.233 177.300 0.126 0.000 1.205 90 P CA -0.033 63.081 63.100 0.024 0.000 0.771 90 P CB 1.404 33.117 31.700 0.023 0.000 0.858 91 S N 1.357 117.121 115.700 0.107 0.000 2.415 91 S HA 0.261 4.731 4.470 -0.001 0.000 0.313 91 S C 0.833 175.504 174.600 0.118 0.000 1.067 91 S CA -0.301 58.003 58.200 0.173 0.000 1.099 91 S CB -0.799 62.478 63.200 0.129 0.000 0.991 91 S HN 0.505 nan 8.310 nan 0.000 0.491 92 T N 1.290 115.917 114.554 0.122 0.000 3.134 92 T HA 0.577 4.926 4.350 -0.001 0.000 0.260 92 T C 0.749 175.475 174.700 0.043 0.000 1.027 92 T CA 0.095 62.235 62.100 0.065 0.000 0.913 92 T CB 0.212 69.112 68.868 0.054 0.000 1.046 92 T HN 0.768 nan 8.240 nan 0.000 0.553 93 G N -0.099 108.734 108.800 0.054 0.000 2.428 93 G HA2 0.405 4.365 3.960 -0.001 0.000 0.304 93 G HA3 0.405 4.365 3.960 -0.001 0.000 0.304 93 G C 0.179 175.088 174.900 0.015 0.000 1.303 93 G CA -0.115 44.992 45.100 0.011 0.000 0.825 93 G HN -0.128 nan 8.290 nan 0.000 0.484 94 S N -0.767 114.903 115.700 -0.050 0.000 2.453 94 S HA 0.250 4.720 4.470 -0.001 0.000 0.231 94 S C 0.975 175.463 174.600 -0.186 0.000 1.005 94 S CA 1.259 59.395 58.200 -0.107 0.000 0.949 94 S CB -0.162 62.948 63.200 -0.150 0.000 0.774 94 S HN 0.575 nan 8.310 nan 0.000 0.510 95 S N -0.879 114.678 115.700 -0.240 0.000 2.570 95 S HA 0.778 5.247 4.470 -0.001 0.000 0.286 95 S C -0.123 174.106 174.600 -0.618 0.000 1.099 95 S CA -0.668 57.262 58.200 -0.450 0.000 0.913 95 S CB 2.111 65.091 63.200 -0.366 0.000 1.085 95 S HN 0.423 nan 8.310 nan 0.000 0.480 96 G N 0.289 108.331 108.800 -1.264 0.000 2.660 96 G HA2 0.668 4.627 3.960 -0.001 0.000 0.290 96 G HA3 0.668 4.627 3.960 -0.001 0.000 0.290 96 G C -1.693 172.268 174.900 -1.564 0.000 1.432 96 G CA -0.485 43.771 45.100 -1.407 0.000 0.807 96 G HN 0.610 nan 8.290 nan 0.000 0.485 97 T N -0.251 113.714 114.554 -0.982 0.000 2.952 97 T HA 0.733 5.082 4.350 -0.001 0.000 0.305 97 T C -0.476 173.945 174.700 -0.464 0.000 1.064 97 T CA 0.005 61.755 62.100 -0.584 0.000 1.008 97 T CB 1.671 70.340 68.868 -0.333 0.000 1.078 97 T HN 1.325 nan 8.240 nan 0.000 0.459 98 A N 3.345 125.903 122.820 -0.437 0.000 2.365 98 A HA 0.852 5.171 4.320 -0.001 0.000 0.318 98 A C -0.805 176.546 177.584 -0.389 0.000 1.091 98 A CA -0.870 50.648 52.037 -0.866 0.000 0.763 98 A CB 1.009 19.295 19.000 -1.190 0.000 1.248 98 A HN 0.715 nan 8.150 nan 0.000 0.442 99 N N 1.289 119.816 118.700 -0.290 0.000 2.346 99 N HA 0.741 5.481 4.740 -0.001 0.000 0.289 99 N C -1.333 174.214 175.510 0.063 0.000 1.027 99 N CA 0.043 52.999 53.050 -0.156 0.000 0.864 99 N CB 1.936 40.364 38.487 -0.098 0.000 1.370 99 N HN 0.636 nan 8.380 nan 0.000 0.481 100 F N -1.064 118.799 119.950 -0.145 0.000 2.745 100 F HA 0.589 5.116 4.527 -0.001 0.000 0.316 100 F C -0.974 174.761 175.800 -0.107 0.000 1.155 100 F CA -1.174 56.801 58.000 -0.041 0.000 0.937 100 F CB 1.326 40.347 39.000 0.036 0.000 1.361 100 F HN -0.086 nan 8.300 nan 0.000 0.472 101 K N 1.473 121.914 120.400 0.068 0.000 2.221 101 K HA 0.722 5.042 4.320 -0.001 0.000 0.258 101 K C -1.621 174.991 176.600 0.021 0.000 0.944 101 K CA -1.034 55.229 56.287 -0.039 0.000 0.823 101 K CB 2.639 35.143 32.500 0.007 0.000 1.113 101 K HN 0.524 nan 8.250 nan 0.000 0.431 102 V N 3.594 123.466 119.914 -0.070 0.000 2.409 102 V HA 0.119 4.239 4.120 -0.001 0.000 0.291 102 V C 0.478 176.567 176.094 -0.008 0.000 1.020 102 V CA -0.873 61.400 62.300 -0.046 0.000 0.848 102 V CB 1.305 33.047 31.823 -0.136 0.000 0.990 102 V HN 0.854 nan 8.190 nan 0.000 0.430 103 N N 2.431 121.146 118.700 0.025 0.000 2.230 103 N HA 0.143 4.882 4.740 -0.001 0.000 0.202 103 N C -0.121 175.431 175.510 0.071 0.000 1.119 103 N CA -0.354 52.720 53.050 0.039 0.000 0.851 103 N CB 0.668 39.173 38.487 0.030 0.000 0.990 103 N HN 0.492 nan 8.380 nan 0.000 0.497 104 K N 0.001 120.473 120.400 0.121 0.000 2.427 104 K HA 0.624 4.943 4.320 -0.001 0.000 0.252 104 K C -0.177 176.553 176.600 0.216 0.000 0.931 104 K CA -0.578 55.801 56.287 0.154 0.000 0.793 104 K CB 2.055 34.666 32.500 0.185 0.000 1.211 104 K HN 0.131 nan 8.250 nan 0.000 0.426 105 G N 0.662 109.558 108.800 0.161 0.000 2.539 105 G HA2 0.577 4.536 3.960 -0.001 0.000 0.258 105 G HA3 0.577 4.536 3.960 -0.001 0.000 0.258 105 G C -0.231 174.739 174.900 0.116 0.000 1.202 105 G CA 0.215 45.417 45.100 0.171 0.000 0.851 105 G HN 0.787 nan 8.290 nan 0.000 0.556 106 G N -0.097 108.742 108.800 0.064 0.000 2.359 106 G HA2 0.397 4.357 3.960 -0.001 0.000 0.293 106 G HA3 0.397 4.357 3.960 -0.001 0.000 0.293 106 G C -1.297 173.467 174.900 -0.227 0.000 1.300 106 G CA -1.083 43.905 45.100 -0.185 0.000 0.888 106 G HN 0.676 nan 8.290 nan 0.000 0.541 107 R N -0.158 120.142 120.500 -0.334 0.000 2.387 107 R HA 0.578 4.917 4.340 -0.001 0.000 0.314 107 R C -1.436 174.652 176.300 -0.354 0.000 0.958 107 R CA -0.461 55.535 56.100 -0.174 0.000 0.846 107 R CB 1.444 31.697 30.300 -0.079 0.000 1.147 107 R HN 0.531 nan 8.270 nan 0.000 0.447 108 Y N 0.489 120.830 120.300 0.068 0.000 2.524 108 Y HA 0.238 4.788 4.550 -0.001 0.000 0.344 108 Y C 0.337 176.271 175.900 0.057 0.000 1.012 108 Y CA -1.097 57.040 58.100 0.061 0.000 1.068 108 Y CB 1.703 40.211 38.460 0.080 0.000 1.249 108 Y HN 0.192 nan 8.280 nan 0.000 0.468 109 Q N 3.172 123.101 119.800 0.214 0.000 2.349 109 Q HA 0.289 4.629 4.340 -0.001 0.000 0.254 109 Q C -0.675 175.403 176.000 0.129 0.000 0.980 109 Q CA -0.137 55.743 55.803 0.128 0.000 0.924 109 Q CB 1.606 30.391 28.738 0.079 0.000 1.209 109 Q HN 0.729 nan 8.270 nan 0.000 0.445 110 M N 2.951 122.621 119.600 0.116 0.000 2.300 110 M HA 0.325 4.804 4.480 -0.001 0.000 0.348 110 M C -1.059 175.264 176.300 0.038 0.000 1.151 110 M CA -0.169 55.182 55.300 0.085 0.000 1.046 110 M CB 1.078 33.751 32.600 0.121 0.000 1.647 110 M HN 0.509 nan 8.290 nan 0.000 0.451 111 Q N 2.653 122.452 119.800 -0.002 0.000 2.421 111 Q HA 0.634 4.973 4.340 -0.001 0.000 0.280 111 Q C -1.570 174.375 176.000 -0.091 0.000 1.085 111 Q CA -1.046 54.735 55.803 -0.038 0.000 0.807 111 Q CB 3.210 31.922 28.738 -0.044 0.000 1.405 111 Q HN 0.578 nan 8.270 nan 0.000 0.419 112 V N 1.023 120.857 119.914 -0.133 0.000 2.459 112 V HA 0.804 4.924 4.120 -0.001 0.000 0.295 112 V C -0.705 175.229 176.094 -0.266 0.000 1.029 112 V CA -0.561 61.572 62.300 -0.278 0.000 0.874 112 V CB 1.358 32.934 31.823 -0.412 0.000 0.985 112 V HN 0.830 nan 8.190 nan 0.000 0.438 113 A N 5.836 128.487 122.820 -0.282 0.000 2.355 113 A HA 0.876 5.195 4.320 -0.001 0.000 0.317 113 A C -0.984 176.454 177.584 -0.244 0.000 1.094 113 A CA -0.581 51.328 52.037 -0.214 0.000 0.764 113 A CB 1.074 19.986 19.000 -0.147 0.000 1.230 113 A HN 0.784 nan 8.150 nan 0.000 0.448 114 L N 1.704 122.813 121.223 -0.191 0.000 2.282 114 L HA 0.500 4.840 4.340 -0.001 0.000 0.288 114 L C -0.708 176.106 176.870 -0.093 0.000 1.033 114 L CA -0.498 54.255 54.840 -0.145 0.000 0.807 114 L CB 1.327 43.318 42.059 -0.113 0.000 1.209 114 L HN 0.725 nan 8.230 nan 0.000 0.423 115 c N 2.482 121.035 118.600 -0.078 0.000 2.614 115 c HA 0.627 5.197 4.570 -0.001 0.000 0.320 115 c C -0.084 173.979 174.090 -0.045 0.000 1.200 115 c CA -0.804 55.488 56.329 -0.061 0.000 1.700 115 c CB 1.569 44.037 42.510 -0.069 0.000 2.275 115 c HN 1.020 nan 8.230 nan 0.000 0.492 116 N N -0.119 118.559 118.700 -0.037 0.000 2.972 116 N HA 0.509 5.249 4.740 -0.001 0.000 0.262 116 N C 0.332 175.825 175.510 -0.028 0.000 1.478 116 N CA -0.314 52.719 53.050 -0.028 0.000 0.841 116 N CB 1.526 40.002 38.487 -0.019 0.000 1.512 116 N HN 0.506 nan 8.380 nan 0.000 0.548 117 A N -0.215 122.591 122.820 -0.023 0.000 2.070 117 A HA -0.132 4.187 4.320 -0.001 0.000 0.220 117 A C 1.020 178.592 177.584 -0.021 0.000 1.159 117 A CA 1.599 53.623 52.037 -0.022 0.000 0.656 117 A CB -0.641 18.348 19.000 -0.019 0.000 0.800 117 A HN 0.689 nan 8.150 nan 0.000 0.453 118 D N -1.058 119.331 120.400 -0.019 0.000 2.355 118 D HA 0.355 4.995 4.640 -0.001 0.000 0.218 118 D C 1.018 177.306 176.300 -0.019 0.000 1.004 118 D CA 1.352 55.342 54.000 -0.017 0.000 0.880 118 D CB 0.383 41.175 40.800 -0.013 0.000 0.911 118 D HN 0.581 nan 8.370 nan 0.000 0.528 119 G N -1.113 107.672 108.800 -0.024 0.000 2.369 119 G HA2 0.053 4.013 3.960 -0.001 0.000 0.307 119 G HA3 0.053 4.013 3.960 -0.001 0.000 0.307 119 G C -1.285 173.594 174.900 -0.035 0.000 1.327 119 G CA -0.833 44.250 45.100 -0.028 0.000 0.963 119 G HN 0.146 nan 8.290 nan 0.000 0.590 120 c N 0.121 118.696 118.600 -0.040 0.000 2.376 120 c HA 0.888 5.457 4.570 -0.001 0.000 0.335 120 c C 0.387 174.448 174.090 -0.048 0.000 1.229 120 c CA -0.347 55.951 56.329 -0.051 0.000 1.867 120 c CB 1.059 43.532 42.510 -0.060 0.000 2.319 120 c HN 0.851 nan 8.230 nan 0.000 0.515 121 T N 2.365 116.885 114.554 -0.057 0.000 2.815 121 T HA 0.638 4.988 4.350 -0.001 0.000 0.289 121 T C -0.191 174.467 174.700 -0.070 0.000 1.000 121 T CA -0.090 61.980 62.100 -0.050 0.000 0.958 121 T CB 1.321 70.168 68.868 -0.036 0.000 0.944 121 T HN 0.898 nan 8.240 nan 0.000 0.442 122 A N 2.900 125.683 122.820 -0.060 0.000 2.312 122 A HA 0.791 5.111 4.320 -0.001 0.000 0.326 122 A C 0.728 178.279 177.584 -0.056 0.000 1.172 122 A CA -0.765 51.229 52.037 -0.071 0.000 0.821 122 A CB 0.543 19.508 19.000 -0.058 0.000 1.166 122 A HN 0.886 nan 8.150 nan 0.000 0.493 123 S N 1.803 117.463 115.700 -0.067 0.000 2.617 123 S HA 0.262 4.731 4.470 -0.001 0.000 0.259 123 S C -0.145 174.439 174.600 -0.027 0.000 1.301 123 S CA -0.514 57.661 58.200 -0.042 0.000 0.984 123 S CB 0.286 63.456 63.200 -0.050 0.000 0.954 123 S HN 0.637 nan 8.310 nan 0.000 0.572 124 D N 0.926 121.317 120.400 -0.015 0.000 2.357 124 D HA 0.467 5.106 4.640 -0.001 0.000 0.242 124 D C 0.272 176.568 176.300 -0.008 0.000 1.153 124 D CA 0.278 54.274 54.000 -0.008 0.000 0.918 124 D CB 0.873 41.671 40.800 -0.004 0.000 1.181 124 D HN 0.834 nan 8.370 nan 0.000 0.435 125 A N 1.248 124.070 122.820 0.003 0.000 2.388 125 A HA 0.444 4.764 4.320 -0.001 0.000 0.257 125 A C 0.136 177.734 177.584 0.023 0.000 1.095 125 A CA -0.114 51.933 52.037 0.016 0.000 0.791 125 A CB 0.469 19.483 19.000 0.024 0.000 1.029 125 A HN 0.394 nan 8.150 nan 0.000 0.489 126 T N 2.072 116.649 114.554 0.038 0.000 2.792 126 T HA 0.319 4.668 4.350 -0.001 0.000 0.280 126 T C -0.288 174.465 174.700 0.088 0.000 0.990 126 T CA -0.315 61.817 62.100 0.052 0.000 0.960 126 T CB 0.982 69.877 68.868 0.045 0.000 0.939 126 T HN 0.748 nan 8.240 nan 0.000 0.439 127 E N 3.510 123.763 120.200 0.089 0.000 2.289 127 E HA 0.415 4.765 4.350 -0.001 0.000 0.278 127 E C -0.322 176.362 176.600 0.140 0.000 1.032 127 E CA -0.476 55.989 56.400 0.109 0.000 0.854 127 E CB 0.505 30.250 29.700 0.075 0.000 1.046 127 E HN 0.615 nan 8.360 nan 0.000 0.409 128 I N 0.528 121.221 120.570 0.204 0.000 2.693 128 I HA 0.543 4.713 4.170 -0.001 0.000 0.303 128 I C -0.983 175.290 176.117 0.260 0.000 1.025 128 I CA -1.155 60.296 61.300 0.251 0.000 1.086 128 I CB 1.967 40.183 38.000 0.360 0.000 1.268 128 I HN 0.105 nan 8.210 nan 0.000 0.440 129 V N 5.321 125.355 119.914 0.201 0.000 2.384 129 V HA 0.362 4.482 4.120 -0.001 0.000 0.287 129 V C -0.080 176.135 176.094 0.201 0.000 1.020 129 V CA -0.602 61.794 62.300 0.160 0.000 0.850 129 V CB 1.547 33.398 31.823 0.047 0.000 0.987 129 V HN 0.569 nan 8.190 nan 0.000 0.436 130 V N 4.837 124.902 119.914 0.251 0.000 2.294 130 V HA 0.620 4.740 4.120 -0.001 0.000 0.272 130 V C 0.643 176.763 176.094 0.044 0.000 1.027 130 V CA -0.568 61.856 62.300 0.208 0.000 0.823 130 V CB 1.269 33.272 31.823 0.300 0.000 1.030 130 V HN 0.949 nan 8.190 nan 0.000 0.457 131 A N 3.762 126.467 122.820 -0.191 0.000 2.388 131 A HA 0.648 4.967 4.320 -0.001 0.000 0.257 131 A C -0.266 177.256 177.584 -0.103 0.000 1.095 131 A CA 0.021 51.694 52.037 -0.606 0.000 0.791 131 A CB 0.632 19.052 19.000 -0.968 0.000 1.029 131 A HN 0.761 nan 8.150 nan 0.000 0.489 132 D N -0.715 119.754 120.400 0.115 0.000 2.583 132 D HA 0.400 5.039 4.640 -0.001 0.000 0.248 132 D C 0.915 177.353 176.300 0.231 0.000 1.209 132 D CA 0.435 54.558 54.000 0.206 0.000 0.848 132 D CB 1.667 42.545 40.800 0.129 0.000 1.431 132 D HN 0.456 nan 8.370 nan 0.000 0.436 133 T N -1.667 112.885 114.554 -0.003 0.000 3.194 133 T HA 0.046 4.396 4.350 -0.001 0.000 0.251 133 T C 0.929 175.688 174.700 0.099 0.000 1.132 133 T CA 0.450 62.503 62.100 -0.079 0.000 1.028 133 T CB 0.004 68.762 68.868 -0.183 0.000 0.976 133 T HN 0.195 nan 8.240 nan 0.000 0.535 134 D N 1.761 122.220 120.400 0.098 0.000 2.144 134 D HA 0.161 4.801 4.640 -0.001 0.000 0.200 134 D C 1.842 178.176 176.300 0.056 0.000 0.978 134 D CA 1.812 55.864 54.000 0.087 0.000 0.833 134 D CB -0.469 40.393 40.800 0.103 0.000 0.961 134 D HN 0.582 nan 8.370 nan 0.000 0.470 135 G N -0.708 108.144 108.800 0.087 0.000 2.132 135 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.234 135 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.234 135 G C 1.206 176.062 174.900 -0.074 0.000 0.989 135 G CA 1.040 46.114 45.100 -0.045 0.000 0.676 135 G HN 0.422 nan 8.290 nan 0.000 0.522 136 S N 0.440 116.191 115.700 0.084 0.000 2.419 136 S HA -0.184 4.286 4.470 -0.001 0.000 0.235 136 S C 1.894 176.521 174.600 0.044 0.000 1.019 136 S CA 1.771 60.002 58.200 0.053 0.000 0.982 136 S CB -0.606 62.637 63.200 0.073 0.000 0.789 136 S HN 1.130 nan 8.310 nan 0.000 0.490 137 H N 0.376 119.445 119.070 -0.001 0.000 2.539 137 H HA 0.471 5.027 4.556 -0.001 0.000 0.269 137 H C 0.395 175.704 175.328 -0.032 0.000 0.980 137 H CA -0.404 55.635 56.048 -0.015 0.000 1.152 137 H CB -0.425 29.345 29.762 0.014 0.000 1.407 137 H HN 0.370 nan 8.280 nan 0.000 0.564 138 L N 1.174 122.104 121.223 -0.488 0.000 2.334 138 L HA 0.606 4.946 4.340 -0.001 0.000 0.272 138 L C 0.341 177.083 176.870 -0.213 0.000 1.020 138 L CA -1.198 53.409 54.840 -0.389 0.000 0.812 138 L CB 1.687 43.462 42.059 -0.474 0.000 1.264 138 L HN 0.114 nan 8.230 nan 0.000 0.439 139 A N 2.442 125.163 122.820 -0.166 0.000 2.354 139 A HA 0.578 4.897 4.320 -0.001 0.000 0.269 139 A C -2.353 175.149 177.584 -0.137 0.000 1.109 139 A CA -1.290 50.670 52.037 -0.127 0.000 0.800 139 A CB -0.329 18.610 19.000 -0.102 0.000 1.045 139 A HN 0.411 nan 8.150 nan 0.000 0.489 140 P HA 0.130 nan 4.420 nan 0.000 0.264 140 P C -0.585 176.641 177.300 -0.122 0.000 1.193 140 P CA -0.103 62.915 63.100 -0.136 0.000 0.763 140 P CB 0.289 31.901 31.700 -0.146 0.000 0.810 141 L N 4.640 125.792 121.223 -0.119 0.000 2.363 141 L HA 0.257 4.596 4.340 -0.001 0.000 0.286 141 L C 0.107 176.936 176.870 -0.069 0.000 1.106 141 L CA 0.549 55.332 54.840 -0.096 0.000 0.859 141 L CB -0.467 41.528 42.059 -0.106 0.000 1.223 141 L HN 0.117 nan 8.230 nan 0.000 0.446 142 K N 4.749 125.107 120.400 -0.068 0.000 2.579 142 K HA 0.341 4.660 4.320 -0.001 0.000 0.225 142 K C -1.040 175.543 176.600 -0.029 0.000 0.992 142 K CA -0.327 55.929 56.287 -0.050 0.000 1.018 142 K CB 0.813 33.257 32.500 -0.094 0.000 1.249 142 K HN 0.551 nan 8.250 nan 0.000 0.489 143 E N 2.906 123.103 120.200 -0.005 0.000 2.212 143 E HA 0.432 4.782 4.350 -0.001 0.000 0.270 143 E C -2.080 174.517 176.600 -0.005 0.000 0.956 143 E CA -1.901 54.487 56.400 -0.021 0.000 0.825 143 E CB 1.238 30.911 29.700 -0.044 0.000 1.167 143 E HN 0.387 nan 8.360 nan 0.000 0.400 144 P HA 0.168 nan 4.420 nan 0.000 0.271 144 P C -0.121 177.176 177.300 -0.005 0.000 1.218 144 P CA -0.209 62.886 63.100 -0.008 0.000 0.780 144 P CB 0.751 32.443 31.700 -0.014 0.000 0.901 145 L N 1.887 123.114 121.223 0.006 0.000 2.426 145 L HA 0.201 4.541 4.340 -0.001 0.000 0.271 145 L C 0.867 177.746 176.870 0.014 0.000 1.169 145 L CA -0.232 54.618 54.840 0.016 0.000 0.836 145 L CB -0.147 41.929 42.059 0.029 0.000 1.112 145 L HN 0.266 nan 8.230 nan 0.000 0.465 146 L N 1.846 123.083 121.223 0.023 0.000 2.347 146 L HA 0.468 4.807 4.340 -0.001 0.000 0.268 146 L C 0.685 177.585 176.870 0.050 0.000 1.019 146 L CA -0.729 54.126 54.840 0.026 0.000 0.806 146 L CB 1.006 43.072 42.059 0.011 0.000 1.339 146 L HN 0.706 nan 8.230 nan 0.000 0.463 147 E N -0.144 120.084 120.200 0.047 0.000 3.439 147 E HA -0.344 4.005 4.350 -0.001 0.000 0.385 147 E C 0.361 176.993 176.600 0.053 0.000 1.557 147 E CA 1.987 58.420 56.400 0.054 0.000 1.684 147 E CB -0.504 29.244 29.700 0.080 0.000 1.677 147 E HN 0.594 nan 8.360 nan 0.000 0.455 148 K N 1.399 121.840 120.400 0.069 0.000 2.446 148 K HA 0.180 4.499 4.320 -0.001 0.000 0.203 148 K C -0.387 176.261 176.600 0.080 0.000 1.027 148 K CA -0.103 56.224 56.287 0.068 0.000 1.166 148 K CB -0.183 32.363 32.500 0.076 0.000 0.869 148 K HN 0.191 nan 8.250 nan 0.000 0.504 149 N N 2.197 120.946 118.700 0.083 0.000 2.492 149 N HA 0.024 4.763 4.740 -0.001 0.000 0.262 149 N C -0.659 174.899 175.510 0.081 0.000 1.202 149 N CA 0.453 53.561 53.050 0.097 0.000 0.926 149 N CB 0.580 39.124 38.487 0.095 0.000 1.078 149 N HN -0.024 nan 8.380 nan 0.000 0.454 150 K N 2.131 122.600 120.400 0.114 0.000 2.318 150 K HA 0.465 4.784 4.320 -0.001 0.000 0.249 150 K C -2.656 173.956 176.600 0.021 0.000 0.942 150 K CA -1.954 54.356 56.287 0.039 0.000 0.808 150 K CB 1.891 34.397 32.500 0.011 0.000 1.189 150 K HN 0.322 nan 8.250 nan 0.000 0.428 151 P HA 0.189 nan 4.420 nan 0.000 0.281 151 P C -1.422 175.636 177.300 -0.404 0.000 1.252 151 P CA -0.025 62.998 63.100 -0.128 0.000 0.778 151 P CB 0.325 31.965 31.700 -0.100 0.000 0.895 152 Y N 0.715 121.026 120.300 0.018 0.000 2.545 152 Y HA 0.417 4.966 4.550 -0.001 0.000 0.348 152 Y C 0.720 176.633 175.900 0.022 0.000 1.002 152 Y CA -0.789 57.322 58.100 0.019 0.000 1.039 152 Y CB 2.317 40.790 38.460 0.020 0.000 1.271 152 Y HN 0.103 nan 8.280 nan 0.000 0.467 153 K N 1.787 122.297 120.400 0.184 0.000 2.159 153 K HA 0.308 4.628 4.320 -0.001 0.000 0.266 153 K C -0.761 175.922 176.600 0.138 0.000 0.975 153 K CA -1.053 55.306 56.287 0.119 0.000 0.865 153 K CB 1.219 33.765 32.500 0.076 0.000 1.087 153 K HN 0.486 nan 8.250 nan 0.000 0.446 154 Q N 3.026 122.887 119.800 0.100 0.000 3.181 154 Q HA 0.018 4.358 4.340 -0.001 0.000 0.293 154 Q C 0.405 176.446 176.000 0.069 0.000 1.406 154 Q CA 0.045 55.897 55.803 0.082 0.000 1.026 154 Q CB -0.261 28.518 28.738 0.069 0.000 1.630 154 Q HN 0.636 nan 8.270 nan 0.000 0.553 155 N N -1.527 117.215 118.700 0.071 0.000 2.254 155 N HA -0.081 4.658 4.740 -0.001 0.000 0.190 155 N C 1.057 176.598 175.510 0.052 0.000 1.107 155 N CA 0.462 53.547 53.050 0.058 0.000 0.869 155 N CB 0.338 38.859 38.487 0.057 0.000 0.983 155 N HN 0.134 nan 8.380 nan 0.000 0.487 156 S N 0.266 115.998 115.700 0.054 0.000 2.406 156 S HA 0.135 4.605 4.470 -0.001 0.000 0.228 156 S C 1.670 176.298 174.600 0.046 0.000 1.020 156 S CA 1.025 59.252 58.200 0.045 0.000 0.965 156 S CB -0.799 62.425 63.200 0.039 0.000 0.798 156 S HN 0.538 nan 8.310 nan 0.000 0.488 157 G N 0.952 109.784 108.800 0.054 0.000 2.136 157 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.242 157 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.242 157 G C -0.096 174.845 174.900 0.069 0.000 0.989 157 G CA 0.214 45.350 45.100 0.061 0.000 0.682 157 G HN 0.498 nan 8.290 nan 0.000 0.522 158 K N 0.300 120.737 120.400 0.063 0.000 2.098 158 K HA 0.654 4.974 4.320 -0.001 0.000 0.258 158 K C 0.696 177.339 176.600 0.072 0.000 0.973 158 K CA -0.545 55.779 56.287 0.060 0.000 0.898 158 K CB 2.225 34.752 32.500 0.046 0.000 1.057 158 K HN 0.685 nan 8.250 nan 0.000 0.447 159 V N 0.788 120.732 119.914 0.051 0.000 2.715 159 V HA 0.265 4.385 4.120 -0.001 0.000 0.299 159 V C -0.500 175.649 176.094 0.092 0.000 1.054 159 V CA -0.285 62.044 62.300 0.048 0.000 1.077 159 V CB 1.108 32.812 31.823 -0.198 0.000 0.972 159 V HN 0.346 nan 8.190 nan 0.000 0.484 160 V N 6.614 126.605 119.914 0.129 0.000 2.419 160 V HA 0.793 4.913 4.120 -0.001 0.000 0.287 160 V C 0.587 176.763 176.094 0.137 0.000 1.017 160 V CA 0.325 62.688 62.300 0.106 0.000 0.844 160 V CB 0.717 32.572 31.823 0.053 0.000 1.011 160 V HN 1.286 nan 8.190 nan 0.000 0.429 161 G N 2.138 111.035 108.800 0.161 0.000 2.600 161 G HA2 0.806 4.765 3.960 -0.001 0.000 0.303 161 G HA3 0.806 4.765 3.960 -0.001 0.000 0.303 161 G C -1.028 173.944 174.900 0.121 0.000 1.253 161 G CA -0.643 44.532 45.100 0.125 0.000 0.974 161 G HN 0.721 nan 8.290 nan 0.000 0.483 162 S N -1.652 114.070 115.700 0.036 0.000 2.587 162 S HA 0.597 5.066 4.470 -0.001 0.000 0.269 162 S C -2.048 172.519 174.600 -0.054 0.000 1.154 162 S CA -0.607 57.637 58.200 0.073 0.000 0.824 162 S CB 0.969 64.196 63.200 0.044 0.000 1.118 162 S HN 0.455 nan 8.310 nan 0.000 0.462 163 Y N 1.516 121.782 120.300 -0.057 0.000 2.361 163 Y HA 0.645 5.194 4.550 -0.001 0.000 0.332 163 Y C -0.392 175.331 175.900 -0.295 0.000 1.101 163 Y CA -0.437 57.563 58.100 -0.168 0.000 1.137 163 Y CB 1.379 39.633 38.460 -0.344 0.000 1.207 163 Y HN 0.600 nan 8.280 nan 0.000 0.463 164 F N 3.136 122.946 119.950 -0.233 0.000 2.482 164 F HA 0.681 5.208 4.527 -0.001 0.000 0.331 164 F C -1.383 174.080 175.800 -0.562 0.000 1.115 164 F CA -0.983 56.831 58.000 -0.309 0.000 0.955 164 F CB 0.863 39.807 39.000 -0.093 0.000 1.136 164 F HN 0.178 nan 8.300 nan 0.000 0.452 165 V N 7.022 126.091 119.914 -1.409 0.000 2.398 165 V HA 0.131 4.251 4.120 -0.001 0.000 0.286 165 V C 0.981 176.149 176.094 -1.543 0.000 1.026 165 V CA -0.215 61.112 62.300 -1.621 0.000 0.868 165 V CB 1.460 32.219 31.823 -1.774 0.000 0.982 165 V HN 0.990 nan 8.190 nan 0.000 0.443 166 E N 3.985 123.549 120.200 -1.059 0.000 2.147 166 E HA -0.253 4.097 4.350 -0.001 0.000 0.199 166 E C 1.455 177.944 176.600 -0.185 0.000 1.005 166 E CA 2.725 58.909 56.400 -0.359 0.000 0.810 166 E CB 0.012 29.745 29.700 0.055 0.000 0.736 166 E HN 0.900 nan 8.360 nan 0.000 0.460 167 W N -0.999 120.232 121.300 -0.116 0.000 3.256 167 W HA 0.418 5.077 4.660 -0.001 0.000 0.269 167 W C 1.407 177.871 176.519 -0.092 0.000 1.310 167 W CA 0.062 57.424 57.345 0.029 0.000 1.673 167 W CB -0.534 28.965 29.460 0.064 0.000 1.115 167 W HN -0.041 nan 8.180 nan 0.000 0.686 168 G N 0.846 109.271 108.800 -0.625 0.000 2.679 168 G HA2 -0.115 3.844 3.960 -0.001 0.000 0.212 168 G HA3 -0.115 3.844 3.960 -0.001 0.000 0.212 168 G C 1.149 175.877 174.900 -0.286 0.000 1.137 168 G CA 0.766 45.544 45.100 -0.537 0.000 0.787 168 G HN 0.257 nan 8.290 nan 0.000 0.534 169 V N -0.291 119.453 119.914 -0.283 0.000 3.041 169 V HA 0.034 4.154 4.120 -0.001 0.000 0.260 169 V C 1.799 177.708 176.094 -0.307 0.000 1.105 169 V CA 0.874 63.004 62.300 -0.283 0.000 1.125 169 V CB -0.531 31.073 31.823 -0.365 0.000 0.730 169 V HN 0.420 nan 8.190 nan 0.000 0.479 170 Y N 0.011 120.315 120.300 0.007 0.000 2.762 170 Y HA 0.346 4.895 4.550 -0.001 0.000 0.218 170 Y C 2.469 178.370 175.900 0.002 0.000 0.960 170 Y CA 0.958 59.081 58.100 0.038 0.000 1.070 170 Y CB -1.291 37.212 38.460 0.072 0.000 1.045 170 Y HN 0.052 nan 8.280 nan 0.000 0.466 171 G N 0.266 109.167 108.800 0.168 0.000 2.446 171 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.217 171 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.217 171 G C 1.561 176.404 174.900 -0.094 0.000 1.168 171 G CA 1.088 46.228 45.100 0.067 0.000 0.771 171 G HN 0.293 nan 8.290 nan 0.000 0.551 172 R N -0.202 120.063 120.500 -0.391 0.000 2.148 172 R HA 0.018 4.358 4.340 -0.001 0.000 0.227 172 R C 1.027 177.300 176.300 -0.045 0.000 1.103 172 R CA 0.574 56.403 56.100 -0.453 0.000 0.983 172 R CB -0.508 29.400 30.300 -0.653 0.000 0.874 172 R HN 0.525 nan 8.270 nan 0.000 0.451 173 N N -0.341 118.347 118.700 -0.020 0.000 2.725 173 N HA -0.234 4.506 4.740 -0.001 0.000 0.251 173 N C -1.417 174.142 175.510 0.080 0.000 1.031 173 N CA -0.143 52.926 53.050 0.032 0.000 0.720 173 N CB -0.656 37.871 38.487 0.067 0.000 0.930 173 N HN 0.102 nan 8.380 nan 0.000 0.543 174 F N 1.800 121.683 119.950 -0.111 0.000 2.403 174 F HA 0.397 4.924 4.527 -0.001 0.000 0.355 174 F C 0.504 176.339 175.800 0.057 0.000 1.119 174 F CA -0.118 57.853 58.000 -0.048 0.000 1.007 174 F CB 0.895 39.830 39.000 -0.110 0.000 1.194 174 F HN 0.080 nan 8.300 nan 0.000 0.443 175 T N 1.583 116.074 114.554 -0.104 0.000 2.952 175 T HA 0.355 4.704 4.350 -0.001 0.000 0.286 175 T C 1.085 175.716 174.700 -0.116 0.000 1.024 175 T CA -0.715 61.393 62.100 0.012 0.000 1.029 175 T CB 1.514 70.331 68.868 -0.085 0.000 1.094 175 T HN 0.291 nan 8.240 nan 0.000 0.515 176 V N 1.846 121.642 119.914 -0.197 0.000 2.380 176 V HA -0.208 3.911 4.120 -0.001 0.000 0.251 176 V C 2.616 178.545 176.094 -0.276 0.000 1.063 176 V CA 2.370 64.433 62.300 -0.395 0.000 1.055 176 V CB -0.989 30.574 31.823 -0.432 0.000 0.657 176 V HN 1.056 nan 8.190 nan 0.000 0.455 177 D N 0.242 120.506 120.400 -0.227 0.000 2.309 177 D HA -0.217 4.423 4.640 -0.001 0.000 0.212 177 D C 1.593 177.760 176.300 -0.221 0.000 0.968 177 D CA 0.909 54.796 54.000 -0.188 0.000 0.882 177 D CB -0.197 40.513 40.800 -0.150 0.000 0.918 177 D HN 0.458 nan 8.370 nan 0.000 0.503 178 K N 0.162 120.343 120.400 -0.364 0.000 2.374 178 K HA 0.228 4.548 4.320 -0.001 0.000 0.196 178 K C 0.683 177.093 176.600 -0.318 0.000 1.023 178 K CA -0.186 55.819 56.287 -0.470 0.000 1.103 178 K CB 0.815 32.756 32.500 -0.932 0.000 0.848 178 K HN 0.187 nan 8.250 nan 0.000 0.528 179 I N 4.080 124.542 120.570 -0.181 0.000 2.471 179 I HA 0.037 4.207 4.170 -0.001 0.000 0.286 179 I C -1.916 174.195 176.117 -0.010 0.000 1.079 179 I CA -2.052 59.266 61.300 0.029 0.000 1.398 179 I CB 0.638 38.637 38.000 -0.002 0.000 1.403 179 I HN -0.158 nan 8.210 nan 0.000 0.530 180 P HA 0.116 nan 4.420 nan 0.000 0.230 180 P C 0.566 177.836 177.300 -0.050 0.000 1.791 180 P CA -0.131 62.977 63.100 0.013 0.000 1.020 180 P CB 0.518 32.256 31.700 0.064 0.000 1.977 181 A N 3.207 125.933 122.820 -0.157 0.000 1.986 181 A HA -0.244 4.076 4.320 -0.001 0.000 0.220 181 A C 2.140 179.456 177.584 -0.445 0.000 1.171 181 A CA 1.699 53.520 52.037 -0.360 0.000 0.640 181 A CB -0.816 17.821 19.000 -0.606 0.000 0.811 181 A HN 0.531 nan 8.150 nan 0.000 0.451 182 Q N -1.049 118.576 119.800 -0.291 0.000 2.369 182 Q HA -0.030 4.309 4.340 -0.001 0.000 0.206 182 Q C 0.487 176.486 176.000 -0.003 0.000 0.963 182 Q CA 1.098 56.841 55.803 -0.101 0.000 0.894 182 Q CB -0.291 28.490 28.738 0.071 0.000 0.965 182 Q HN 0.489 nan 8.270 nan 0.000 0.475 183 N N 0.420 119.126 118.700 0.010 0.000 2.370 183 N HA 0.239 4.979 4.740 -0.001 0.000 0.198 183 N C -0.618 174.903 175.510 0.020 0.000 1.156 183 N CA 0.337 53.424 53.050 0.062 0.000 0.839 183 N CB 0.472 39.022 38.487 0.105 0.000 0.989 183 N HN 0.252 nan 8.380 nan 0.000 0.468 184 L N -0.879 120.339 121.223 -0.009 0.000 2.371 184 L HA 0.363 4.702 4.340 -0.001 0.000 0.262 184 L C 1.302 178.179 176.870 0.012 0.000 1.006 184 L CA -0.442 54.403 54.840 0.008 0.000 0.818 184 L CB 2.254 44.306 42.059 -0.012 0.000 1.354 184 L HN -0.058 nan 8.230 nan 0.000 0.415 185 T N -3.831 110.761 114.554 0.064 0.000 3.018 185 T HA 0.181 4.531 4.350 -0.001 0.000 0.246 185 T C 0.293 174.957 174.700 -0.060 0.000 1.026 185 T CA 0.299 62.429 62.100 0.051 0.000 1.081 185 T CB 0.051 69.018 68.868 0.164 0.000 0.970 185 T HN 0.506 nan 8.240 nan 0.000 0.475 186 H N 0.128 119.204 119.070 0.009 0.000 2.667 186 H HA 0.723 5.279 4.556 -0.001 0.000 0.353 186 H C -1.558 173.747 175.328 -0.038 0.000 1.072 186 H CA -0.856 55.195 56.048 0.006 0.000 1.214 186 H CB 1.942 31.720 29.762 0.027 0.000 1.600 186 H HN 0.195 nan 8.280 nan 0.000 0.527 187 L N 4.031 125.290 121.223 0.060 0.000 2.356 187 L HA 0.522 4.861 4.340 -0.001 0.000 0.277 187 L C -1.699 175.176 176.870 0.009 0.000 0.996 187 L CA -0.447 54.401 54.840 0.014 0.000 0.822 187 L CB 0.819 42.887 42.059 0.015 0.000 1.256 187 L HN 0.547 nan 8.230 nan 0.000 0.413 188 L N 5.333 126.466 121.223 -0.150 0.000 2.307 188 L HA 0.423 4.763 4.340 -0.001 0.000 0.284 188 L C -1.201 175.651 176.870 -0.031 0.000 1.023 188 L CA -0.509 54.187 54.840 -0.241 0.000 0.810 188 L CB 1.442 42.944 42.059 -0.929 0.000 1.231 188 L HN 0.555 nan 8.230 nan 0.000 0.423 189 Y N 2.096 122.422 120.300 0.042 0.000 2.369 189 Y HA 0.634 5.183 4.550 -0.001 0.000 0.337 189 Y C 0.405 176.345 175.900 0.067 0.000 0.961 189 Y CA -0.750 57.449 58.100 0.166 0.000 1.186 189 Y CB 1.434 40.107 38.460 0.356 0.000 1.139 189 Y HN 0.553 nan 8.280 nan 0.000 0.494 190 G N 6.037 114.522 108.800 -0.525 0.000 2.335 190 G HA2 0.537 4.497 3.960 -0.001 0.000 0.314 190 G HA3 0.537 4.497 3.960 -0.001 0.000 0.314 190 G C -1.747 172.832 174.900 -0.534 0.000 1.129 190 G CA -0.253 44.269 45.100 -0.963 0.000 0.912 190 G HN 0.478 nan 8.290 nan 0.000 0.443 191 F N 1.355 121.467 119.950 0.270 0.000 2.601 191 F HA 0.441 4.967 4.527 -0.001 0.000 0.309 191 F C -0.246 175.762 175.800 0.346 0.000 1.089 191 F CA -1.165 57.045 58.000 0.350 0.000 0.940 191 F CB 2.079 41.311 39.000 0.388 0.000 1.273 191 F HN 0.170 nan 8.300 nan 0.000 0.450 192 I N 4.843 125.695 120.570 0.469 0.000 2.342 192 I HA 0.297 4.466 4.170 -0.001 0.000 0.291 192 I C -2.255 173.935 176.117 0.121 0.000 1.010 192 I CA -2.374 59.069 61.300 0.238 0.000 1.308 192 I CB 0.950 38.950 38.000 -0.000 0.000 1.400 192 I HN 0.248 nan 8.210 nan 0.000 0.488 193 P HA 0.462 nan 4.420 nan 0.000 0.283 193 P C -0.780 176.406 177.300 -0.191 0.000 1.271 193 P CA -0.583 62.442 63.100 -0.125 0.000 0.841 193 P CB 1.906 33.447 31.700 -0.266 0.000 1.122 194 I N 0.848 121.260 120.570 -0.263 0.000 2.354 194 I HA 0.220 4.390 4.170 -0.001 0.000 0.292 194 I C 0.649 176.555 176.117 -0.352 0.000 0.989 194 I CA -0.802 60.322 61.300 -0.292 0.000 1.188 194 I CB 1.009 38.752 38.000 -0.428 0.000 1.342 194 I HN 0.256 nan 8.210 nan 0.000 0.457 195 c N 4.728 123.141 118.600 -0.312 0.000 2.679 195 c HA 0.587 5.157 4.570 -0.001 0.000 0.417 195 c C 0.879 174.668 174.090 -0.500 0.000 1.302 195 c CA 0.219 56.345 56.329 -0.338 0.000 1.973 195 c CB -0.499 41.874 42.510 -0.229 0.000 2.715 195 c HN 1.043 nan 8.230 nan 0.000 0.628 196 G N 1.825 110.362 108.800 -0.439 0.000 2.277 196 G HA2 0.483 4.442 3.960 -0.001 0.000 0.272 196 G HA3 0.483 4.442 3.960 -0.001 0.000 0.272 196 G C -0.398 174.301 174.900 -0.334 0.000 1.692 196 G CA -0.135 44.689 45.100 -0.459 0.000 0.926 196 G HN 1.094 nan 8.290 nan 0.000 0.720 197 G N 0.449 109.122 108.800 -0.213 0.000 2.928 197 G HA2 0.449 4.409 3.960 -0.001 0.000 0.163 197 G HA3 0.449 4.409 3.960 -0.001 0.000 0.163 197 G C 0.282 175.306 174.900 0.207 0.000 1.573 197 G CA -0.533 44.557 45.100 -0.017 0.000 1.084 197 G HN 0.755 nan 8.290 nan 0.000 0.569 198 N N 0.817 119.662 118.700 0.243 0.000 2.359 198 N HA 0.244 4.983 4.740 -0.001 0.000 0.261 198 N C 1.243 176.771 175.510 0.031 0.000 1.267 198 N CA 1.367 54.485 53.050 0.113 0.000 0.864 198 N CB 0.927 39.440 38.487 0.044 0.000 1.063 198 N HN 1.018 nan 8.380 nan 0.000 0.474 199 G N 1.802 110.617 108.800 0.026 0.000 2.336 199 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.233 199 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.233 199 G C 0.937 175.850 174.900 0.021 0.000 1.053 199 G CA 0.421 45.541 45.100 0.035 0.000 0.625 199 G HN 0.542 nan 8.290 nan 0.000 0.511 200 I N 0.033 120.553 120.570 -0.084 0.000 2.731 200 I HA 0.198 4.368 4.170 -0.001 0.000 0.260 200 I C 1.203 177.299 176.117 -0.035 0.000 1.138 200 I CA 0.740 61.924 61.300 -0.194 0.000 1.461 200 I CB 0.021 37.737 38.000 -0.474 0.000 1.128 200 I HN 0.077 nan 8.210 nan 0.000 0.438 201 N N 0.775 119.498 118.700 0.037 0.000 2.553 201 N HA 0.072 4.811 4.740 -0.001 0.000 0.298 201 N C -0.016 175.623 175.510 0.215 0.000 1.596 201 N CA 0.047 53.153 53.050 0.093 0.000 0.910 201 N CB 0.519 39.002 38.487 -0.007 0.000 1.336 201 N HN 0.130 nan 8.380 nan 0.000 0.497 202 D N 0.151 120.611 120.400 0.100 0.000 2.178 202 D HA -0.066 4.574 4.640 -0.001 0.000 0.201 202 D C 1.461 177.753 176.300 -0.014 0.000 0.980 202 D CA 1.078 55.069 54.000 -0.016 0.000 0.842 202 D CB 0.168 40.939 40.800 -0.049 0.000 0.948 202 D HN 0.113 nan 8.370 nan 0.000 0.472 203 S N 0.519 116.218 115.700 -0.003 0.000 2.440 203 S HA -0.088 4.382 4.470 -0.001 0.000 0.238 203 S C 2.059 176.670 174.600 0.018 0.000 1.010 203 S CA 0.334 58.517 58.200 -0.029 0.000 0.972 203 S CB -0.112 63.027 63.200 -0.102 0.000 0.774 203 S HN 0.322 nan 8.310 nan 0.000 0.501 204 L N 0.773 122.047 121.223 0.085 0.000 2.217 204 L HA -0.044 4.295 4.340 -0.001 0.000 0.211 204 L C 2.171 179.120 176.870 0.131 0.000 1.107 204 L CA 1.035 55.959 54.840 0.141 0.000 0.783 204 L CB -0.315 41.895 42.059 0.252 0.000 0.919 204 L HN 0.275 nan 8.230 nan 0.000 0.442 205 K N 0.308 120.746 120.400 0.063 0.000 2.280 205 K HA -0.203 4.116 4.320 -0.001 0.000 0.202 205 K C 1.768 178.361 176.600 -0.013 0.000 1.047 205 K CA 1.397 57.662 56.287 -0.037 0.000 0.942 205 K CB -0.028 32.346 32.500 -0.211 0.000 0.739 205 K HN 0.507 nan 8.250 nan 0.000 0.457 206 E N 0.630 120.834 120.200 0.007 0.000 2.418 206 E HA -0.084 4.265 4.350 -0.001 0.000 0.197 206 E C 0.053 176.667 176.600 0.023 0.000 1.026 206 E CA 0.496 56.906 56.400 0.018 0.000 0.862 206 E CB -0.033 29.691 29.700 0.040 0.000 0.799 206 E HN 0.232 nan 8.360 nan 0.000 0.518 207 I N 2.489 123.073 120.570 0.024 0.000 2.330 207 I HA 0.145 4.314 4.170 -0.001 0.000 0.289 207 I C -0.137 175.988 176.117 0.013 0.000 1.001 207 I CA -0.763 60.539 61.300 0.004 0.000 1.193 207 I CB 1.487 39.474 38.000 -0.021 0.000 1.345 207 I HN -0.060 nan 8.210 nan 0.000 0.461 208 E N 4.678 124.879 120.200 0.002 0.000 2.465 208 E HA 0.128 4.478 4.350 -0.001 0.000 0.260 208 E C 1.204 177.808 176.600 0.007 0.000 0.980 208 E CA 0.919 57.324 56.400 0.008 0.000 0.927 208 E CB 0.469 30.167 29.700 -0.003 0.000 0.934 208 E HN 0.959 nan 8.360 nan 0.000 0.459 209 G N 2.698 111.518 108.800 0.033 0.000 2.245 209 G HA2 -0.414 3.546 3.960 -0.001 0.000 0.264 209 G HA3 -0.414 3.546 3.960 -0.001 0.000 0.264 209 G C 1.248 176.188 174.900 0.066 0.000 0.985 209 G CA 0.741 45.865 45.100 0.039 0.000 0.625 209 G HN 0.544 nan 8.290 nan 0.000 0.536 210 S N -0.643 115.101 115.700 0.073 0.000 2.348 210 S HA -0.015 4.454 4.470 -0.001 0.000 0.221 210 S C 1.951 176.690 174.600 0.232 0.000 1.033 210 S CA 1.947 60.221 58.200 0.122 0.000 1.010 210 S CB -0.313 62.930 63.200 0.072 0.000 0.891 210 S HN 0.799 nan 8.310 nan 0.000 0.442 211 F N 2.074 122.057 119.950 0.056 0.000 2.134 211 F HA -0.105 4.422 4.527 -0.001 0.000 0.299 211 F C 2.632 178.447 175.800 0.025 0.000 1.097 211 F CA 1.783 59.797 58.000 0.024 0.000 1.264 211 F CB -0.386 38.610 39.000 -0.006 0.000 1.001 211 F HN 0.189 nan 8.300 nan 0.000 0.479 212 Q N 0.518 120.421 119.800 0.172 0.000 2.119 212 Q HA -0.109 4.230 4.340 -0.001 0.000 0.201 212 Q C 2.415 178.419 176.000 0.005 0.000 0.972 212 Q CA 1.425 57.270 55.803 0.070 0.000 0.847 212 Q CB -0.790 28.014 28.738 0.110 0.000 0.903 212 Q HN 0.531 nan 8.270 nan 0.000 0.433 213 A N 0.425 123.278 122.820 0.056 0.000 1.902 213 A HA -0.171 4.148 4.320 -0.001 0.000 0.217 213 A C 2.088 179.714 177.584 0.069 0.000 1.181 213 A CA 1.349 53.440 52.037 0.090 0.000 0.623 213 A CB -0.662 18.420 19.000 0.136 0.000 0.818 213 A HN 0.371 nan 8.150 nan 0.000 0.443 214 L N -0.238 120.978 121.223 -0.011 0.000 2.083 214 L HA -0.173 4.167 4.340 -0.001 0.000 0.209 214 L C 2.387 179.119 176.870 -0.231 0.000 1.083 214 L CA 2.076 56.792 54.840 -0.207 0.000 0.752 214 L CB -0.548 41.249 42.059 -0.436 0.000 0.899 214 L HN 0.423 nan 8.230 nan 0.000 0.433 215 Q N -0.685 118.943 119.800 -0.288 0.000 2.230 215 Q HA -0.189 4.150 4.340 -0.001 0.000 0.202 215 Q C 2.311 178.253 176.000 -0.096 0.000 0.963 215 Q CA 1.205 56.868 55.803 -0.232 0.000 0.866 215 Q CB -0.424 28.160 28.738 -0.257 0.000 0.931 215 Q HN 0.558 nan 8.270 nan 0.000 0.452 216 R N 0.595 121.068 120.500 -0.045 0.000 2.062 216 R HA -0.070 4.270 4.340 -0.001 0.000 0.229 216 R C 2.513 178.833 176.300 0.034 0.000 1.128 216 R CA 1.362 57.466 56.100 0.007 0.000 0.960 216 R CB -0.128 30.190 30.300 0.030 0.000 0.855 216 R HN 0.194 nan 8.270 nan 0.000 0.432 217 S N -0.417 115.310 115.700 0.045 0.000 2.383 217 S HA -0.146 4.324 4.470 -0.001 0.000 0.229 217 S C 1.651 176.303 174.600 0.087 0.000 1.030 217 S CA 1.411 59.668 58.200 0.095 0.000 1.002 217 S CB -0.250 63.015 63.200 0.108 0.000 0.829 217 S HN 0.592 nan 8.310 nan 0.000 0.467 218 c N 2.051 120.653 118.600 0.003 0.000 2.613 218 c HA 0.340 4.909 4.570 -0.001 0.000 0.273 218 c C 0.992 175.079 174.090 -0.005 0.000 1.304 218 c CA -0.693 55.627 56.329 -0.015 0.000 1.702 218 c CB -2.138 40.307 42.510 -0.108 0.000 1.792 218 c HN 0.679 nan 8.230 nan 0.000 0.588 219 Q N 0.599 120.407 119.800 0.013 0.000 2.263 219 Q HA 0.327 4.667 4.340 -0.001 0.000 0.289 219 Q C 1.333 177.352 176.000 0.031 0.000 1.061 219 Q CA 1.315 57.125 55.803 0.013 0.000 0.927 219 Q CB 0.183 28.934 28.738 0.021 0.000 1.154 219 Q HN 0.648 nan 8.270 nan 0.000 0.378 220 G N 3.508 112.319 108.800 0.019 0.000 2.184 220 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.264 220 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.264 220 G C 0.098 175.021 174.900 0.038 0.000 0.975 220 G CA 0.534 45.651 45.100 0.028 0.000 0.642 220 G HN 0.636 nan 8.290 nan 0.000 0.536 221 R N 0.777 121.300 120.500 0.037 0.000 2.474 221 R HA 0.541 4.881 4.340 -0.001 0.000 0.295 221 R C 0.172 176.479 176.300 0.011 0.000 0.980 221 R CA -0.631 55.498 56.100 0.048 0.000 0.934 221 R CB 0.679 31.022 30.300 0.072 0.000 1.101 221 R HN 0.383 nan 8.270 nan 0.000 0.469 222 E N 1.742 121.956 120.200 0.023 0.000 2.398 222 E HA -0.010 4.339 4.350 -0.001 0.000 0.263 222 E C -0.664 175.920 176.600 -0.027 0.000 1.046 222 E CA -0.130 56.278 56.400 0.014 0.000 0.908 222 E CB 0.591 30.321 29.700 0.050 0.000 0.963 222 E HN 0.439 nan 8.360 nan 0.000 0.431 223 D N 1.075 121.440 120.400 -0.059 0.000 2.400 223 D HA -0.030 4.610 4.640 -0.001 0.000 0.238 223 D C 0.108 176.348 176.300 -0.101 0.000 1.157 223 D CA 0.551 54.405 54.000 -0.242 0.000 0.889 223 D CB 0.209 40.847 40.800 -0.270 0.000 1.199 223 D HN 0.455 nan 8.370 nan 0.000 0.436 224 F N -1.879 118.007 119.950 -0.108 0.000 2.699 224 F HA -0.264 4.262 4.527 -0.001 0.000 0.343 224 F C 0.743 176.562 175.800 0.031 0.000 0.633 224 F CA 0.588 58.542 58.000 -0.076 0.000 1.365 224 F CB -1.447 37.512 39.000 -0.068 0.000 1.795 224 F HN 0.188 nan 8.300 nan 0.000 0.304 225 K N 0.642 121.075 120.400 0.054 0.000 2.159 225 K HA 0.588 4.908 4.320 -0.001 0.000 0.266 225 K C 0.135 176.716 176.600 -0.030 0.000 0.975 225 K CA -1.187 55.132 56.287 0.053 0.000 0.865 225 K CB 1.917 34.442 32.500 0.041 0.000 1.087 225 K HN -0.088 nan 8.250 nan 0.000 0.446 226 I N 1.603 122.144 120.570 -0.049 0.000 2.948 226 I HA -0.105 4.065 4.170 -0.001 0.000 0.290 226 I C 0.648 176.610 176.117 -0.258 0.000 1.226 226 I CA 1.266 62.460 61.300 -0.176 0.000 1.413 226 I CB 0.872 38.701 38.000 -0.286 0.000 1.352 226 I HN 0.636 nan 8.210 nan 0.000 0.597 227 S N 4.765 120.282 115.700 -0.305 0.000 2.843 227 S HA 0.659 5.129 4.470 -0.001 0.000 0.301 227 S C -1.104 173.367 174.600 -0.215 0.000 1.206 227 S CA -0.754 57.193 58.200 -0.421 0.000 0.875 227 S CB 0.595 63.638 63.200 -0.262 0.000 1.248 227 S HN 0.332 nan 8.310 nan 0.000 0.555 228 I N 2.359 122.878 120.570 -0.086 0.000 2.378 228 I HA 0.380 4.549 4.170 -0.001 0.000 0.291 228 I C 0.930 177.159 176.117 0.186 0.000 0.992 228 I CA -0.644 60.739 61.300 0.140 0.000 1.154 228 I CB 1.718 39.827 38.000 0.182 0.000 1.315 228 I HN 0.776 nan 8.210 nan 0.000 0.448 229 H N 3.821 122.979 119.070 0.146 0.000 2.299 229 H HA -0.026 4.529 4.556 -0.001 0.000 0.302 229 H C 0.208 175.626 175.328 0.151 0.000 1.078 229 H CA 1.492 57.621 56.048 0.135 0.000 1.323 229 H CB 0.372 30.243 29.762 0.183 0.000 1.381 229 H HN 0.483 nan 8.280 nan 0.000 0.498 230 D N -0.375 120.226 120.400 0.335 0.000 2.438 230 D HA 0.166 4.805 4.640 -0.001 0.000 0.257 230 D C -2.063 174.374 176.300 0.228 0.000 1.148 230 D CA -2.177 51.985 54.000 0.270 0.000 0.902 230 D CB 1.217 42.192 40.800 0.292 0.000 1.062 230 D HN 0.075 nan 8.370 nan 0.000 0.518 231 P HA -0.060 nan 4.420 nan 0.000 0.222 231 P C 1.258 178.652 177.300 0.157 0.000 1.147 231 P CA 0.408 63.596 63.100 0.146 0.000 0.790 231 P CB 0.087 31.901 31.700 0.191 0.000 0.780 232 F N 1.193 121.208 119.950 0.110 0.000 2.084 232 F HA -0.069 4.457 4.527 -0.001 0.000 0.296 232 F C 2.260 178.125 175.800 0.109 0.000 1.111 232 F CA 1.623 59.694 58.000 0.120 0.000 1.224 232 F CB -0.944 38.149 39.000 0.155 0.000 0.991 232 F HN -0.122 nan 8.300 nan 0.000 0.471 233 A N 0.279 123.163 122.820 0.107 0.000 1.930 233 A HA -0.001 4.319 4.320 -0.001 0.000 0.217 233 A C 2.345 179.872 177.584 -0.094 0.000 1.175 233 A CA 1.688 53.680 52.037 -0.075 0.000 0.627 233 A CB -1.517 17.537 19.000 0.089 0.000 0.815 233 A HN 0.518 nan 8.150 nan 0.000 0.443 234 A N -1.071 121.706 122.820 -0.072 0.000 1.897 234 A HA 0.203 4.523 4.320 -0.001 0.000 0.215 234 A C 1.902 179.265 177.584 -0.368 0.000 1.181 234 A CA 1.493 53.368 52.037 -0.269 0.000 0.620 234 A CB -0.235 18.412 19.000 -0.589 0.000 0.821 234 A HN 0.452 nan 8.150 nan 0.000 0.443 235 L N -2.644 118.430 121.223 -0.248 0.000 2.993 235 L HA 0.185 4.525 4.340 -0.001 0.000 0.264 235 L C 1.910 178.738 176.870 -0.070 0.000 1.154 235 L CA 0.231 55.000 54.840 -0.119 0.000 0.972 235 L CB 0.393 42.422 42.059 -0.049 0.000 1.373 235 L HN 0.338 nan 8.230 nan 0.000 0.564 236 Q N -0.540 119.151 119.800 -0.181 0.000 2.245 236 Q HA 0.130 4.470 4.340 -0.001 0.000 0.250 236 Q C 0.405 176.176 176.000 -0.381 0.000 0.830 236 Q CA -0.102 55.595 55.803 -0.178 0.000 0.950 236 Q CB 1.388 30.148 28.738 0.037 0.000 1.124 236 Q HN 0.098 nan 8.270 nan 0.000 0.502 237 K N 1.748 121.708 120.400 -0.734 0.000 2.379 237 K HA 0.289 4.608 4.320 -0.001 0.000 0.284 237 K C -0.603 175.850 176.600 -0.246 0.000 1.044 237 K CA -0.210 55.691 56.287 -0.643 0.000 0.974 237 K CB 0.692 32.767 32.500 -0.707 0.000 0.962 237 K HN 0.054 nan 8.250 nan 0.000 0.474 238 A N 4.678 127.429 122.820 -0.114 0.000 2.524 238 A HA 0.071 4.391 4.320 -0.001 0.000 0.250 238 A C -0.423 177.121 177.584 -0.066 0.000 1.078 238 A CA 0.102 52.107 52.037 -0.053 0.000 0.761 238 A CB 0.368 19.370 19.000 0.004 0.000 1.012 238 A HN 0.677 nan 8.150 nan 0.000 0.500 239 Q N 1.080 120.839 119.800 -0.070 0.000 2.495 239 Q HA 0.302 4.642 4.340 -0.001 0.000 0.287 239 Q C -0.764 175.194 176.000 -0.070 0.000 1.078 239 Q CA -0.875 54.882 55.803 -0.076 0.000 0.793 239 Q CB 1.464 30.145 28.738 -0.096 0.000 1.459 239 Q HN 0.791 nan 8.270 nan 0.000 0.422 240 K N 0.231 120.587 120.400 -0.073 0.000 2.511 240 K HA 0.164 4.484 4.320 -0.001 0.000 0.280 240 K C 0.899 177.451 176.600 -0.080 0.000 1.008 240 K CA 1.068 57.313 56.287 -0.070 0.000 1.050 240 K CB -0.151 32.304 32.500 -0.075 0.000 0.889 240 K HN 0.933 nan 8.250 nan 0.000 0.484 241 G N 0.819 109.576 108.800 -0.071 0.000 2.253 241 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.251 241 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.251 241 G C 0.229 175.083 174.900 -0.077 0.000 0.998 241 G CA 0.172 45.224 45.100 -0.080 0.000 0.621 241 G HN 0.822 nan 8.290 nan 0.000 0.524 242 V N -1.652 118.221 119.914 -0.067 0.000 2.637 242 V HA 0.702 4.822 4.120 -0.001 0.000 0.296 242 V C 0.812 176.880 176.094 -0.044 0.000 1.118 242 V CA 0.840 63.106 62.300 -0.055 0.000 1.230 242 V CB -0.170 31.624 31.823 -0.048 0.000 1.360 242 V HN 0.795 nan 8.190 nan 0.000 0.620 243 T N -1.985 112.547 114.554 -0.037 0.000 3.022 243 T HA 0.532 4.882 4.350 -0.001 0.000 0.250 243 T C 0.941 175.644 174.700 0.005 0.000 1.060 243 T CA 0.676 62.767 62.100 -0.014 0.000 1.013 243 T CB 0.572 69.435 68.868 -0.010 0.000 0.982 243 T HN 1.162 nan 8.240 nan 0.000 0.508 244 A N 2.762 125.566 122.820 -0.028 0.000 2.388 244 A HA 0.453 4.773 4.320 -0.001 0.000 0.257 244 A C 1.360 178.922 177.584 -0.035 0.000 1.095 244 A CA -0.632 51.381 52.037 -0.040 0.000 0.791 244 A CB -0.046 18.873 19.000 -0.135 0.000 1.029 244 A HN 0.609 nan 8.150 nan 0.000 0.489 245 W N 2.605 123.888 121.300 -0.028 0.000 2.325 245 W HA -0.242 4.417 4.660 -0.001 0.000 0.299 245 W C 0.210 176.705 176.519 -0.041 0.000 1.215 245 W CA 1.762 59.092 57.345 -0.025 0.000 1.244 245 W CB -0.725 28.722 29.460 -0.021 0.000 1.140 245 W HN 0.759 nan 8.180 nan 0.000 0.523 246 D N -0.070 119.815 120.400 -0.858 0.000 2.339 246 D HA -0.033 4.607 4.640 -0.001 0.000 0.217 246 D C -0.225 175.779 176.300 -0.494 0.000 1.050 246 D CA 0.045 53.483 54.000 -0.937 0.000 0.856 246 D CB -0.912 38.904 40.800 -1.640 0.000 0.922 246 D HN -0.130 nan 8.370 nan 0.000 0.518 247 D N 2.234 122.441 120.400 -0.321 0.000 2.401 247 D HA 0.031 4.671 4.640 -0.001 0.000 0.254 247 D C -1.129 175.026 176.300 -0.242 0.000 1.192 247 D CA -1.302 52.563 54.000 -0.225 0.000 0.885 247 D CB 1.755 42.483 40.800 -0.120 0.000 1.147 247 D HN 0.069 nan 8.370 nan 0.000 0.478 248 P HA -0.128 nan 4.420 nan 0.000 0.216 248 P C -0.237 176.838 177.300 -0.376 0.000 1.153 248 P CA 1.124 63.907 63.100 -0.529 0.000 0.848 248 P CB 0.126 31.271 31.700 -0.926 0.000 0.787 249 Y N 0.124 120.468 120.300 0.074 0.000 2.356 249 Y HA 0.451 5.001 4.550 -0.001 0.000 0.334 249 Y C 1.134 177.049 175.900 0.023 0.000 0.958 249 Y CA -1.030 57.127 58.100 0.095 0.000 1.196 249 Y CB 0.990 39.549 38.460 0.165 0.000 1.137 249 Y HN -0.182 nan 8.280 nan 0.000 0.485 250 K N 0.991 121.457 120.400 0.109 0.000 2.092 250 K HA 0.778 5.097 4.320 -0.001 0.000 0.256 250 K C 0.614 177.190 176.600 -0.041 0.000 1.041 250 K CA -0.682 55.607 56.287 0.003 0.000 1.070 250 K CB 0.575 33.054 32.500 -0.035 0.000 1.707 250 K HN 0.724 nan 8.250 nan 0.000 0.750 251 G N 1.136 109.868 108.800 -0.112 0.000 2.578 251 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.284 251 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.284 251 G C 0.365 175.219 174.900 -0.076 0.000 1.283 251 G CA 0.546 45.562 45.100 -0.139 0.000 0.944 251 G HN 0.614 nan 8.290 nan 0.000 0.558 252 N N -0.570 118.124 118.700 -0.010 0.000 2.106 252 N HA -0.044 4.696 4.740 -0.001 0.000 0.188 252 N C 2.126 177.645 175.510 0.014 0.000 1.029 252 N CA 1.861 54.954 53.050 0.072 0.000 0.848 252 N CB -0.429 38.278 38.487 0.367 0.000 1.007 252 N HN 0.404 nan 8.380 nan 0.000 0.423 253 F N 1.453 121.217 119.950 -0.310 0.000 2.095 253 F HA -0.045 4.482 4.527 -0.001 0.000 0.298 253 F C 2.615 178.035 175.800 -0.633 0.000 1.104 253 F CA 0.991 58.667 58.000 -0.540 0.000 1.232 253 F CB -1.297 37.433 39.000 -0.451 0.000 0.987 253 F HN 0.081 nan 8.300 nan 0.000 0.475 254 G N -0.864 107.863 108.800 -0.122 0.000 2.446 254 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.217 254 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.217 254 G C 1.524 176.293 174.900 -0.218 0.000 1.168 254 G CA 0.690 45.734 45.100 -0.093 0.000 0.771 254 G HN 0.393 nan 8.290 nan 0.000 0.551 255 Q N -0.325 119.343 119.800 -0.220 0.000 2.230 255 Q HA 0.155 4.495 4.340 -0.001 0.000 0.202 255 Q C 2.615 178.415 176.000 -0.332 0.000 0.963 255 Q CA 0.398 56.058 55.803 -0.238 0.000 0.866 255 Q CB -0.125 28.489 28.738 -0.207 0.000 0.931 255 Q HN 0.437 nan 8.270 nan 0.000 0.452 256 L N -0.151 120.783 121.223 -0.483 0.000 2.109 256 L HA -0.134 4.206 4.340 -0.001 0.000 0.207 256 L C 2.386 178.866 176.870 -0.651 0.000 1.086 256 L CA 0.831 55.319 54.840 -0.587 0.000 0.760 256 L CB -0.239 41.388 42.059 -0.720 0.000 0.910 256 L HN 0.312 nan 8.230 nan 0.000 0.437 257 M N -0.653 118.455 119.600 -0.820 0.000 2.117 257 M HA -0.214 4.265 4.480 -0.001 0.000 0.262 257 M C 2.462 178.581 176.300 -0.302 0.000 1.065 257 M CA 2.046 57.016 55.300 -0.549 0.000 1.114 257 M CB -0.393 31.935 32.600 -0.453 0.000 1.361 257 M HN 0.328 nan 8.290 nan 0.000 0.408 258 A N -0.165 122.485 122.820 -0.283 0.000 1.929 258 A HA -0.117 4.202 4.320 -0.001 0.000 0.216 258 A C 2.035 179.521 177.584 -0.163 0.000 1.176 258 A CA 1.107 53.017 52.037 -0.212 0.000 0.628 258 A CB -0.730 18.153 19.000 -0.195 0.000 0.816 258 A HN 0.444 nan 8.150 nan 0.000 0.444 259 L N -0.521 120.607 121.223 -0.157 0.000 2.131 259 L HA -0.074 4.266 4.340 -0.001 0.000 0.210 259 L C 2.181 179.053 176.870 0.003 0.000 1.092 259 L CA 2.312 57.119 54.840 -0.055 0.000 0.759 259 L CB -0.307 41.700 42.059 -0.087 0.000 0.903 259 L HN 0.269 nan 8.230 nan 0.000 0.435 260 K N -0.861 119.499 120.400 -0.067 0.000 2.148 260 K HA -0.129 4.191 4.320 -0.001 0.000 0.204 260 K C 2.104 178.667 176.600 -0.062 0.000 1.050 260 K CA 1.129 57.392 56.287 -0.039 0.000 0.942 260 K CB -0.095 32.378 32.500 -0.046 0.000 0.724 260 K HN 0.335 nan 8.250 nan 0.000 0.446 261 Q N -0.348 119.391 119.800 -0.102 0.000 2.084 261 Q HA -0.037 4.303 4.340 -0.001 0.000 0.202 261 Q C 2.101 178.015 176.000 -0.144 0.000 0.978 261 Q CA 1.711 57.444 55.803 -0.116 0.000 0.844 261 Q CB -0.478 28.180 28.738 -0.135 0.000 0.898 261 Q HN 0.386 nan 8.270 nan 0.000 0.426 262 A N 0.314 123.020 122.820 -0.190 0.000 1.969 262 A HA -0.112 4.208 4.320 -0.001 0.000 0.218 262 A C 0.127 177.344 177.584 -0.611 0.000 1.169 262 A CA 1.074 52.890 52.037 -0.368 0.000 0.635 262 A CB -0.244 18.522 19.000 -0.391 0.000 0.810 262 A HN 0.422 nan 8.150 nan 0.000 0.445 263 H N -1.628 117.404 119.070 -0.063 0.000 2.429 263 H HA 0.242 4.798 4.556 -0.001 0.000 0.231 263 H C -2.199 173.098 175.328 -0.052 0.000 1.416 263 H CA -1.317 54.701 56.048 -0.051 0.000 1.443 263 H CB 0.674 30.408 29.762 -0.047 0.000 1.591 263 H HN 0.204 nan 8.280 nan 0.000 0.507 264 P HA -0.157 nan 4.420 nan 0.000 0.223 264 P C 0.364 177.661 177.300 -0.005 0.000 1.144 264 P CA 1.109 64.204 63.100 -0.008 0.000 0.783 264 P CB 0.694 32.376 31.700 -0.029 0.000 0.771 265 D N -0.727 119.680 120.400 0.012 0.000 2.327 265 D HA 0.038 4.677 4.640 -0.001 0.000 0.205 265 D C 0.839 177.122 176.300 -0.028 0.000 0.989 265 D CA 0.055 54.053 54.000 -0.004 0.000 0.873 265 D CB -0.383 40.426 40.800 0.014 0.000 0.955 265 D HN 0.135 nan 8.370 nan 0.000 0.515 266 L N 1.980 123.198 121.223 -0.009 0.000 2.410 266 L HA 0.093 4.433 4.340 -0.001 0.000 0.273 266 L C -0.019 176.805 176.870 -0.077 0.000 1.144 266 L CA -0.011 54.797 54.840 -0.053 0.000 0.863 266 L CB 0.348 42.385 42.059 -0.037 0.000 1.140 266 L HN -0.299 nan 8.230 nan 0.000 0.463 267 K N 7.347 127.649 120.400 -0.163 0.000 2.258 267 K HA 0.378 4.697 4.320 -0.001 0.000 0.284 267 K C -0.737 175.856 176.600 -0.013 0.000 1.051 267 K CA -0.177 56.029 56.287 -0.135 0.000 0.923 267 K CB 1.110 33.417 32.500 -0.322 0.000 1.046 267 K HN 0.606 nan 8.250 nan 0.000 0.474 268 I N 5.022 125.637 120.570 0.075 0.000 2.354 268 I HA 0.278 4.447 4.170 -0.001 0.000 0.286 268 I C -0.247 176.050 176.117 0.300 0.000 1.007 268 I CA -0.639 60.767 61.300 0.177 0.000 1.167 268 I CB 0.744 38.844 38.000 0.166 0.000 1.320 268 I HN 0.258 nan 8.210 nan 0.000 0.458 269 L N 8.368 129.744 121.223 0.255 0.000 2.322 269 L HA 0.534 4.873 4.340 -0.001 0.000 0.281 269 L C -2.389 174.545 176.870 0.105 0.000 1.014 269 L CA -2.013 52.939 54.840 0.188 0.000 0.815 269 L CB 1.955 44.126 42.059 0.187 0.000 1.247 269 L HN 0.278 nan 8.230 nan 0.000 0.421 270 P HA 0.121 nan 4.420 nan 0.000 0.276 270 P C -0.758 176.579 177.300 0.062 0.000 1.230 270 P CA -0.281 62.675 63.100 -0.240 0.000 0.776 270 P CB 1.222 32.496 31.700 -0.711 0.000 0.888 271 S N 3.211 119.054 115.700 0.239 0.000 2.422 271 S HA 0.432 4.901 4.470 -0.001 0.000 0.308 271 S C 0.329 175.222 174.600 0.489 0.000 1.097 271 S CA -0.512 57.927 58.200 0.398 0.000 1.099 271 S CB -0.187 63.370 63.200 0.596 0.000 0.976 271 S HN 0.279 nan 8.310 nan 0.000 0.471 272 I N 3.780 124.594 120.570 0.406 0.000 2.315 272 I HA 0.598 4.768 4.170 -0.001 0.000 0.291 272 I C 1.001 177.380 176.117 0.437 0.000 1.006 272 I CA 0.129 61.654 61.300 0.375 0.000 1.265 272 I CB 0.759 38.977 38.000 0.363 0.000 1.387 272 I HN 0.875 nan 8.210 nan 0.000 0.475 273 G N 4.127 113.093 108.800 0.277 0.000 2.395 273 G HA2 0.351 4.311 3.960 -0.001 0.000 0.201 273 G HA3 0.351 4.311 3.960 -0.001 0.000 0.201 273 G C -0.083 174.614 174.900 -0.339 0.000 1.206 273 G CA -0.050 45.141 45.100 0.152 0.000 1.210 273 G HN 1.468 nan 8.290 nan 0.000 0.557 274 G N -2.280 106.267 108.800 -0.422 0.000 2.566 274 G HA2 0.092 4.052 3.960 -0.001 0.000 0.599 274 G HA3 0.092 4.052 3.960 -0.001 0.000 0.599 274 G C 0.776 175.472 174.900 -0.340 0.000 1.292 274 G CA 0.493 45.073 45.100 -0.867 0.000 0.922 274 G HN 1.879 nan 8.290 nan 0.000 0.514 275 W N 0.279 121.325 121.300 -0.423 0.000 2.355 275 W HA -0.139 4.520 4.660 -0.001 0.000 0.309 275 W C 2.456 178.877 176.519 -0.164 0.000 1.206 275 W CA 3.238 60.430 57.345 -0.256 0.000 1.284 275 W CB -0.424 28.912 29.460 -0.206 0.000 1.145 275 W HN 0.940 nan 8.180 nan 0.000 0.502 276 T N -1.573 112.943 114.554 -0.062 0.000 3.107 276 T HA 0.122 4.472 4.350 -0.001 0.000 0.249 276 T C 1.386 176.028 174.700 -0.097 0.000 1.096 276 T CA 0.232 62.277 62.100 -0.091 0.000 1.012 276 T CB -0.399 68.479 68.868 0.018 0.000 0.977 276 T HN 0.123 nan 8.240 nan 0.000 0.527 277 L N 0.452 121.595 121.223 -0.134 0.000 2.959 277 L HA 0.394 4.734 4.340 -0.001 0.000 0.259 277 L C 1.866 178.655 176.870 -0.135 0.000 1.185 277 L CA -0.162 54.602 54.840 -0.128 0.000 0.998 277 L CB 0.326 42.326 42.059 -0.099 0.000 1.337 277 L HN 0.163 nan 8.230 nan 0.000 0.555 278 S N -0.312 115.334 115.700 -0.090 0.000 2.470 278 S HA -0.082 4.388 4.470 -0.001 0.000 0.225 278 S C 1.212 175.816 174.600 0.007 0.000 1.006 278 S CA 0.428 58.636 58.200 0.013 0.000 0.934 278 S CB 0.033 63.242 63.200 0.015 0.000 0.778 278 S HN 0.413 nan 8.310 nan 0.000 0.517 279 D N 2.123 122.569 120.400 0.076 0.000 2.133 279 D HA -0.116 4.524 4.640 -0.001 0.000 0.192 279 D C -0.845 175.618 176.300 0.271 0.000 1.001 279 D CA 1.434 55.593 54.000 0.266 0.000 0.844 279 D CB -1.796 39.116 40.800 0.187 0.000 0.944 279 D HN 0.329 nan 8.370 nan 0.000 0.447 280 P HA -0.107 nan 4.420 nan 0.000 0.219 280 P C 1.212 178.464 177.300 -0.080 0.000 1.146 280 P CA 0.791 63.918 63.100 0.044 0.000 0.808 280 P CB -0.144 31.329 31.700 -0.378 0.000 0.779 281 F N -2.137 117.485 119.950 -0.546 0.000 2.216 281 F HA -0.106 4.421 4.527 -0.001 0.000 0.300 281 F C 1.826 177.031 175.800 -0.992 0.000 1.085 281 F CA 1.088 58.371 58.000 -1.195 0.000 1.326 281 F CB -1.449 36.111 39.000 -2.400 0.000 1.027 281 F HN -0.130 nan 8.300 nan 0.000 0.497 282 F N -1.574 118.219 119.950 -0.262 0.000 2.494 282 F HA -0.132 4.395 4.527 -0.001 0.000 0.298 282 F C 1.587 177.146 175.800 -0.401 0.000 1.106 282 F CA 0.900 58.796 58.000 -0.174 0.000 1.452 282 F CB -1.067 37.812 39.000 -0.201 0.000 1.085 282 F HN -0.077 nan 8.300 nan 0.000 0.569 283 F N -1.758 118.222 119.950 0.050 0.000 2.721 283 F HA 0.156 4.682 4.527 -0.001 0.000 0.301 283 F C 1.812 177.488 175.800 -0.206 0.000 1.096 283 F CA 0.142 58.101 58.000 -0.068 0.000 1.308 283 F CB -0.641 38.280 39.000 -0.131 0.000 1.086 283 F HN -0.129 nan 8.300 nan 0.000 0.587 284 M N 0.071 119.630 119.600 -0.069 0.000 2.722 284 M HA 0.038 4.517 4.480 -0.001 0.000 0.238 284 M C 2.195 178.482 176.300 -0.022 0.000 1.098 284 M CA 0.550 55.785 55.300 -0.108 0.000 1.062 284 M CB -0.539 31.966 32.600 -0.157 0.000 1.573 284 M HN 0.278 nan 8.290 nan 0.000 0.531 285 G N 0.019 108.828 108.800 0.015 0.000 2.443 285 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.219 285 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.219 285 G C 0.353 175.257 174.900 0.007 0.000 1.131 285 G CA 0.224 45.348 45.100 0.039 0.000 0.775 285 G HN 0.374 nan 8.290 nan 0.000 0.547 286 D N -0.055 120.330 120.400 -0.024 0.000 2.336 286 D HA 0.165 4.804 4.640 -0.001 0.000 0.249 286 D C 1.489 177.757 176.300 -0.054 0.000 1.213 286 D CA -0.402 53.573 54.000 -0.042 0.000 0.870 286 D CB 1.363 42.122 40.800 -0.069 0.000 1.076 286 D HN 0.044 nan 8.370 nan 0.000 0.483 287 K N 2.988 123.373 120.400 -0.024 0.000 2.147 287 K HA -0.094 4.225 4.320 -0.001 0.000 0.205 287 K C 1.444 178.033 176.600 -0.018 0.000 1.049 287 K CA 1.129 57.410 56.287 -0.011 0.000 0.936 287 K CB -0.243 32.259 32.500 0.003 0.000 0.722 287 K HN 0.343 nan 8.250 nan 0.000 0.446 288 V N 1.258 121.153 119.914 -0.032 0.000 2.287 288 V HA -0.274 3.846 4.120 -0.001 0.000 0.248 288 V C 2.142 178.208 176.094 -0.047 0.000 1.053 288 V CA 2.168 64.450 62.300 -0.030 0.000 1.027 288 V CB -0.402 31.403 31.823 -0.030 0.000 0.646 288 V HN 0.378 nan 8.190 nan 0.000 0.447 289 K N -0.496 119.829 120.400 -0.125 0.000 2.057 289 K HA -0.130 4.190 4.320 -0.001 0.000 0.206 289 K C 2.438 178.990 176.600 -0.080 0.000 1.050 289 K CA 1.181 57.327 56.287 -0.236 0.000 0.935 289 K CB -0.236 31.874 32.500 -0.651 0.000 0.715 289 K HN 0.269 nan 8.250 nan 0.000 0.439 290 R N 1.119 121.593 120.500 -0.043 0.000 2.073 290 R HA -0.156 4.184 4.340 -0.001 0.000 0.234 290 R C 1.679 178.055 176.300 0.127 0.000 1.134 290 R CA 1.907 58.049 56.100 0.071 0.000 0.952 290 R CB -0.113 30.218 30.300 0.052 0.000 0.850 290 R HN 0.154 nan 8.270 nan 0.000 0.433 291 D N -0.436 120.001 120.400 0.063 0.000 2.117 291 D HA -0.180 4.459 4.640 -0.001 0.000 0.197 291 D C 1.857 178.191 176.300 0.057 0.000 0.987 291 D CA 1.021 55.051 54.000 0.049 0.000 0.829 291 D CB -0.194 40.621 40.800 0.026 0.000 0.961 291 D HN 0.194 nan 8.370 nan 0.000 0.460 292 R N -0.484 120.059 120.500 0.073 0.000 2.091 292 R HA -0.167 4.173 4.340 -0.001 0.000 0.238 292 R C 2.265 178.638 176.300 0.122 0.000 1.136 292 R CA 1.019 57.173 56.100 0.089 0.000 0.959 292 R CB -0.474 29.893 30.300 0.111 0.000 0.856 292 R HN 0.178 nan 8.270 nan 0.000 0.437 293 F N 0.839 120.803 119.950 0.023 0.000 2.102 293 F HA -0.181 4.345 4.527 -0.001 0.000 0.298 293 F C 1.896 177.697 175.800 0.002 0.000 1.105 293 F CA 1.537 59.543 58.000 0.011 0.000 1.239 293 F CB -0.575 38.427 39.000 0.003 0.000 0.991 293 F HN -0.185 nan 8.300 nan 0.000 0.474 294 V N 0.738 120.540 119.914 -0.186 0.000 2.332 294 V HA -0.263 3.857 4.120 -0.001 0.000 0.248 294 V C 2.780 178.756 176.094 -0.197 0.000 1.055 294 V CA 2.021 64.175 62.300 -0.243 0.000 1.038 294 V CB -1.771 30.019 31.823 -0.055 0.000 0.651 294 V HN 0.571 nan 8.190 nan 0.000 0.450 295 G N -0.047 108.692 108.800 -0.101 0.000 2.408 295 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.217 295 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.217 295 G C 1.872 176.736 174.900 -0.060 0.000 1.150 295 G CA 1.295 46.358 45.100 -0.061 0.000 0.776 295 G HN 0.646 nan 8.290 nan 0.000 0.542 296 S N 0.109 115.761 115.700 -0.081 0.000 2.402 296 S HA -0.050 4.420 4.470 -0.001 0.000 0.229 296 S C 2.267 176.834 174.600 -0.056 0.000 1.021 296 S CA 1.342 59.519 58.200 -0.038 0.000 0.974 296 S CB -0.275 62.909 63.200 -0.027 0.000 0.800 296 S HN 0.087 nan 8.310 nan 0.000 0.484 297 V N 2.137 121.917 119.914 -0.222 0.000 2.379 297 V HA -0.080 4.040 4.120 -0.001 0.000 0.245 297 V C 2.764 178.833 176.094 -0.041 0.000 1.044 297 V CA 1.971 64.155 62.300 -0.193 0.000 1.036 297 V CB -0.738 30.837 31.823 -0.413 0.000 0.664 297 V HN 0.544 nan 8.190 nan 0.000 0.453 298 K N 0.212 120.563 120.400 -0.082 0.000 2.032 298 K HA -0.268 4.052 4.320 -0.001 0.000 0.209 298 K C 2.284 178.877 176.600 -0.012 0.000 1.048 298 K CA 2.085 58.328 56.287 -0.073 0.000 0.927 298 K CB -0.190 32.264 32.500 -0.076 0.000 0.712 298 K HN 0.552 nan 8.250 nan 0.000 0.441 299 E N -0.311 119.906 120.200 0.028 0.000 2.077 299 E HA -0.223 4.126 4.350 -0.001 0.000 0.193 299 E C 1.938 178.612 176.600 0.124 0.000 0.989 299 E CA 1.196 57.634 56.400 0.062 0.000 0.800 299 E CB -0.198 29.552 29.700 0.083 0.000 0.746 299 E HN 0.356 nan 8.360 nan 0.000 0.452 300 F N 1.111 121.095 119.950 0.057 0.000 2.134 300 F HA -0.148 4.379 4.527 -0.001 0.000 0.299 300 F C 2.011 177.917 175.800 0.176 0.000 1.097 300 F CA 1.290 59.402 58.000 0.187 0.000 1.264 300 F CB -0.018 39.070 39.000 0.147 0.000 1.001 300 F HN -0.001 nan 8.300 nan 0.000 0.479 301 L N -0.414 120.938 121.223 0.215 0.000 2.156 301 L HA -0.173 4.167 4.340 -0.001 0.000 0.208 301 L C 2.266 179.142 176.870 0.010 0.000 1.095 301 L CA 1.057 55.965 54.840 0.114 0.000 0.770 301 L CB -0.680 41.392 42.059 0.022 0.000 0.914 301 L HN 0.193 nan 8.230 nan 0.000 0.439 302 Q N -0.916 118.863 119.800 -0.036 0.000 2.311 302 Q HA -0.097 4.243 4.340 -0.001 0.000 0.203 302 Q C 2.036 177.942 176.000 -0.158 0.000 0.954 302 Q CA 1.519 57.281 55.803 -0.068 0.000 0.885 302 Q CB 0.032 28.735 28.738 -0.059 0.000 0.963 302 Q HN 0.451 nan 8.270 nan 0.000 0.471 303 T N -0.506 113.886 114.554 -0.271 0.000 2.852 303 T HA -0.068 4.281 4.350 -0.001 0.000 0.256 303 T C -0.147 174.024 174.700 -0.882 0.000 1.038 303 T CA 0.685 62.422 62.100 -0.606 0.000 1.141 303 T CB -0.036 68.383 68.868 -0.747 0.000 0.869 303 T HN 0.306 nan 8.240 nan 0.000 0.439 304 W N 2.747 123.914 121.300 -0.221 0.000 2.243 304 W HA 0.474 5.134 4.660 -0.001 0.000 0.331 304 W C 0.817 177.152 176.519 -0.307 0.000 0.895 304 W CA -1.008 56.161 57.345 -0.293 0.000 1.580 304 W CB 0.116 29.285 29.460 -0.486 0.000 1.568 304 W HN 0.024 nan 8.180 nan 0.000 0.372 305 K N 0.996 121.382 120.400 -0.023 0.000 2.442 305 K HA -0.135 4.185 4.320 -0.001 0.000 0.198 305 K C 1.321 177.919 176.600 -0.005 0.000 1.042 305 K CA 1.014 57.308 56.287 0.012 0.000 0.958 305 K CB -0.203 32.318 32.500 0.035 0.000 0.766 305 K HN 0.544 nan 8.250 nan 0.000 0.474 306 F N -0.808 119.052 119.950 -0.150 0.000 2.780 306 F HA 0.215 4.741 4.527 -0.001 0.000 0.299 306 F C 0.273 175.955 175.800 -0.196 0.000 1.146 306 F CA -0.674 57.191 58.000 -0.225 0.000 1.428 306 F CB -0.402 38.380 39.000 -0.362 0.000 1.115 306 F HN -0.296 nan 8.300 nan 0.000 0.583 307 F N 2.229 121.795 119.950 -0.640 0.000 2.429 307 F HA 0.217 4.744 4.527 -0.001 0.000 0.348 307 F C 1.059 176.818 175.800 -0.067 0.000 1.109 307 F CA -0.948 56.817 58.000 -0.392 0.000 1.232 307 F CB 0.405 39.160 39.000 -0.409 0.000 1.157 307 F HN 0.017 nan 8.300 nan 0.000 0.564 308 D N 1.737 122.261 120.400 0.208 0.000 2.463 308 D HA 0.345 4.985 4.640 -0.001 0.000 0.224 308 D C 0.890 177.333 176.300 0.239 0.000 1.174 308 D CA 0.389 54.446 54.000 0.095 0.000 0.829 308 D CB 0.565 41.374 40.800 0.016 0.000 0.993 308 D HN 0.728 nan 8.370 nan 0.000 0.497 309 G N -0.032 108.993 108.800 0.375 0.000 2.332 309 G HA2 0.239 4.199 3.960 -0.001 0.000 0.265 309 G HA3 0.239 4.199 3.960 -0.001 0.000 0.265 309 G C -1.549 173.460 174.900 0.181 0.000 1.329 309 G CA -0.164 45.136 45.100 0.334 0.000 0.949 309 G HN 0.299 nan 8.290 nan 0.000 0.476 310 V N -2.109 117.891 119.914 0.145 0.000 2.888 310 V HA 0.825 4.945 4.120 -0.001 0.000 0.309 310 V C -1.471 174.719 176.094 0.159 0.000 1.114 310 V CA -0.391 61.967 62.300 0.096 0.000 0.940 310 V CB 1.907 33.761 31.823 0.052 0.000 1.021 310 V HN 1.113 nan 8.190 nan 0.000 0.426 311 D N 3.548 124.055 120.400 0.177 0.000 2.308 311 D HA 0.560 5.199 4.640 -0.001 0.000 0.242 311 D C -0.705 175.760 176.300 0.275 0.000 1.059 311 D CA -0.513 53.638 54.000 0.252 0.000 0.830 311 D CB 1.518 42.476 40.800 0.263 0.000 1.161 311 D HN 0.595 nan 8.370 nan 0.000 0.494 312 I N 3.758 124.484 120.570 0.260 0.000 2.306 312 I HA 0.218 4.388 4.170 -0.001 0.000 0.288 312 I C -0.545 175.706 176.117 0.224 0.000 1.036 312 I CA -0.573 60.863 61.300 0.227 0.000 1.221 312 I CB 1.037 39.101 38.000 0.108 0.000 1.385 312 I HN 0.394 nan 8.210 nan 0.000 0.472 313 D N 6.446 126.995 120.400 0.248 0.000 2.590 313 D HA 0.065 4.705 4.640 -0.001 0.000 0.280 313 D C -0.288 176.065 176.300 0.089 0.000 1.197 313 D CA -0.181 53.954 54.000 0.226 0.000 0.967 313 D CB 0.315 41.312 40.800 0.329 0.000 0.987 313 D HN 0.335 nan 8.370 nan 0.000 0.508 314 W N 2.431 123.537 121.300 -0.323 0.000 2.481 314 W HA 0.238 4.898 4.660 -0.001 0.000 0.320 314 W C -0.431 175.849 176.519 -0.397 0.000 1.209 314 W CA -0.794 56.215 57.345 -0.559 0.000 1.400 314 W CB 0.056 29.044 29.460 -0.786 0.000 1.361 314 W HN 0.145 nan 8.180 nan 0.000 0.456 315 E N 6.384 126.517 120.200 -0.112 0.000 2.121 315 E HA 0.312 4.661 4.350 -0.001 0.000 0.255 315 E C -1.372 174.868 176.600 -0.599 0.000 0.906 315 E CA -0.339 55.496 56.400 -0.942 0.000 0.745 315 E CB 0.721 29.825 29.700 -0.992 0.000 1.155 315 E HN 0.119 nan 8.360 nan 0.000 0.424 316 F N 1.530 121.564 119.950 0.140 0.000 2.619 316 F HA 0.349 4.875 4.527 -0.001 0.000 0.308 316 F C -2.425 173.098 175.800 -0.463 0.000 1.097 316 F CA -2.868 55.011 58.000 -0.202 0.000 0.953 316 F CB 1.358 40.297 39.000 -0.101 0.000 1.287 316 F HN 0.157 nan 8.300 nan 0.000 0.446 317 P HA 0.213 nan 4.420 nan 0.000 0.264 317 P C 0.677 177.849 177.300 -0.213 0.000 1.193 317 P CA 1.409 63.955 63.100 -0.924 0.000 0.763 317 P CB 0.496 31.550 31.700 -1.077 0.000 0.810 318 G N 1.968 110.791 108.800 0.039 0.000 2.234 318 G HA2 0.073 4.032 3.960 -0.001 0.000 0.235 318 G HA3 0.073 4.032 3.960 -0.001 0.000 0.235 318 G C 0.486 175.465 174.900 0.132 0.000 0.997 318 G CA 0.117 45.254 45.100 0.060 0.000 0.623 318 G HN 1.035 nan 8.290 nan 0.000 0.514 319 G N -0.554 108.416 108.800 0.283 0.000 2.549 319 G HA2 0.384 4.344 3.960 -0.001 0.000 0.404 319 G HA3 0.384 4.344 3.960 -0.001 0.000 0.404 319 G C 0.282 175.303 174.900 0.202 0.000 1.292 319 G CA 0.516 45.697 45.100 0.136 0.000 0.935 319 G HN 1.420 nan 8.290 nan 0.000 0.512 320 K N -1.853 118.612 120.400 0.108 0.000 3.399 320 K HA -0.125 4.195 4.320 -0.001 0.000 0.298 320 K C 1.012 177.775 176.600 0.272 0.000 1.326 320 K CA 1.427 57.809 56.287 0.158 0.000 0.874 320 K CB -1.711 30.870 32.500 0.135 0.000 1.403 320 K HN 1.731 nan 8.250 nan 0.000 0.492 321 G N 0.038 108.886 108.800 0.081 0.000 2.782 321 G HA2 0.579 4.538 3.960 -0.001 0.000 0.201 321 G HA3 0.579 4.538 3.960 -0.001 0.000 0.201 321 G C 1.077 175.526 174.900 -0.752 0.000 1.374 321 G CA 0.113 44.960 45.100 -0.421 0.000 1.039 321 G HN 0.145 nan 8.290 nan 0.000 0.576 322 A N -0.802 121.255 122.820 -1.271 0.000 1.972 322 A HA 0.028 4.347 4.320 -0.001 0.000 0.219 322 A C 1.355 178.764 177.584 -0.291 0.000 1.169 322 A CA 1.076 52.648 52.037 -0.775 0.000 0.635 322 A CB -0.358 18.100 19.000 -0.902 0.000 0.810 322 A HN 0.420 nan 8.150 nan 0.000 0.446 323 N N -0.080 118.465 118.700 -0.258 0.000 2.457 323 N HA 0.234 4.973 4.740 -0.001 0.000 0.250 323 N C -2.106 173.298 175.510 -0.178 0.000 0.982 323 N CA -1.914 51.032 53.050 -0.172 0.000 0.941 323 N CB 1.734 40.126 38.487 -0.160 0.000 1.120 323 N HN 0.067 nan 8.380 nan 0.000 0.505 324 P HA 0.007 nan 4.420 nan 0.000 0.229 324 P C 0.117 177.346 177.300 -0.118 0.000 1.160 324 P CA 0.687 63.733 63.100 -0.091 0.000 0.777 324 P CB 0.586 32.261 31.700 -0.041 0.000 0.814 325 N N -0.146 118.474 118.700 -0.134 0.000 2.398 325 N HA 0.090 4.830 4.740 -0.001 0.000 0.188 325 N C 0.767 176.137 175.510 -0.234 0.000 1.122 325 N CA 0.451 53.419 53.050 -0.137 0.000 0.866 325 N CB 0.293 38.728 38.487 -0.087 0.000 0.970 325 N HN 0.306 nan 8.380 nan 0.000 0.462 326 L N -0.505 120.482 121.223 -0.393 0.000 2.319 326 L HA 0.743 5.083 4.340 -0.001 0.000 0.267 326 L C 0.401 176.825 176.870 -0.742 0.000 1.011 326 L CA -0.879 53.533 54.840 -0.713 0.000 0.818 326 L CB 2.066 43.482 42.059 -1.072 0.000 1.316 326 L HN 0.041 nan 8.230 nan 0.000 0.432 327 G N 0.616 109.028 108.800 -0.647 0.000 2.521 327 G HA2 0.317 4.276 3.960 -0.001 0.000 0.589 327 G HA3 0.317 4.276 3.960 -0.001 0.000 0.589 327 G C -1.201 173.678 174.900 -0.036 0.000 1.501 327 G CA -0.110 44.886 45.100 -0.174 0.000 0.887 327 G HN 0.877 nan 8.290 nan 0.000 0.654 328 S N 1.809 117.554 115.700 0.076 0.000 2.565 328 S HA 0.852 5.322 4.470 -0.001 0.000 0.269 328 S C -2.639 171.983 174.600 0.037 0.000 1.153 328 S CA -0.586 57.636 58.200 0.037 0.000 0.835 328 S CB 2.253 65.474 63.200 0.036 0.000 1.122 328 S HN 0.358 nan 8.310 nan 0.000 0.462 329 P HA 0.144 nan 4.420 nan 0.000 0.233 329 P C 1.009 178.307 177.300 -0.003 0.000 1.167 329 P CA 0.610 63.706 63.100 -0.007 0.000 0.770 329 P CB 0.078 31.770 31.700 -0.012 0.000 0.837 330 Q N -0.474 119.339 119.800 0.022 0.000 2.245 330 Q HA -0.112 4.227 4.340 -0.001 0.000 0.201 330 Q C 1.280 177.312 176.000 0.053 0.000 0.955 330 Q CA 0.754 56.578 55.803 0.035 0.000 0.870 330 Q CB -0.350 28.419 28.738 0.052 0.000 0.945 330 Q HN 0.229 nan 8.270 nan 0.000 0.461 331 D N 0.223 120.663 120.400 0.066 0.000 2.170 331 D HA -0.201 4.439 4.640 -0.001 0.000 0.193 331 D C 1.741 177.980 176.300 -0.102 0.000 1.004 331 D CA 1.658 55.682 54.000 0.040 0.000 0.860 331 D CB -0.578 40.209 40.800 -0.021 0.000 0.931 331 D HN 0.427 nan 8.370 nan 0.000 0.448 332 G N 0.222 108.939 108.800 -0.139 0.000 2.418 332 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.217 332 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.217 332 G C 1.456 176.331 174.900 -0.041 0.000 1.158 332 G CA 0.739 45.733 45.100 -0.177 0.000 0.771 332 G HN 0.323 nan 8.290 nan 0.000 0.545 333 E N 0.127 120.327 120.200 0.001 0.000 2.046 333 E HA -0.153 4.197 4.350 -0.001 0.000 0.190 333 E C 2.694 179.347 176.600 0.089 0.000 0.982 333 E CA 1.565 57.986 56.400 0.035 0.000 0.800 333 E CB -0.257 29.459 29.700 0.027 0.000 0.756 333 E HN 0.440 nan 8.360 nan 0.000 0.449 334 T N -0.910 113.728 114.554 0.141 0.000 2.788 334 T HA -0.236 4.114 4.350 -0.001 0.000 0.268 334 T C 1.891 176.757 174.700 0.278 0.000 1.044 334 T CA 1.445 63.668 62.100 0.206 0.000 1.139 334 T CB -0.593 68.417 68.868 0.236 0.000 0.867 334 T HN 0.363 nan 8.240 nan 0.000 0.454 335 Y N 1.550 121.950 120.300 0.166 0.000 2.097 335 Y HA -0.077 4.472 4.550 -0.001 0.000 0.282 335 Y C 2.459 178.391 175.900 0.053 0.000 1.152 335 Y CA 1.732 59.907 58.100 0.126 0.000 1.136 335 Y CB -0.616 37.740 38.460 -0.174 0.000 0.975 335 Y HN 0.097 nan 8.280 nan 0.000 0.498 336 V N 0.501 120.520 119.914 0.176 0.000 2.407 336 V HA -0.323 3.796 4.120 -0.001 0.000 0.248 336 V C 2.404 178.509 176.094 0.018 0.000 1.055 336 V CA 1.999 64.344 62.300 0.075 0.000 1.049 336 V CB -0.688 31.174 31.823 0.065 0.000 0.662 336 V HN 0.462 nan 8.190 nan 0.000 0.455 337 L N -1.085 120.160 121.223 0.037 0.000 2.072 337 L HA -0.126 4.214 4.340 -0.001 0.000 0.205 337 L C 2.412 179.297 176.870 0.025 0.000 1.079 337 L CA 1.027 55.886 54.840 0.032 0.000 0.752 337 L CB -0.498 41.590 42.059 0.049 0.000 0.906 337 L HN 0.334 nan 8.230 nan 0.000 0.436 338 L N -0.278 120.962 121.223 0.027 0.000 2.012 338 L HA -0.246 4.093 4.340 -0.001 0.000 0.210 338 L C 2.537 179.398 176.870 -0.016 0.000 1.073 338 L CA 1.936 56.798 54.840 0.036 0.000 0.748 338 L CB -0.393 41.703 42.059 0.061 0.000 0.891 338 L HN 0.165 nan 8.230 nan 0.000 0.431 339 M N -0.799 118.733 119.600 -0.113 0.000 2.132 339 M HA -0.185 4.295 4.480 -0.001 0.000 0.263 339 M C 2.229 178.510 176.300 -0.031 0.000 1.065 339 M CA 1.588 56.827 55.300 -0.102 0.000 1.122 339 M CB -1.134 31.367 32.600 -0.165 0.000 1.365 339 M HN 0.277 nan 8.290 nan 0.000 0.411 340 K N 0.458 120.849 120.400 -0.015 0.000 2.057 340 K HA -0.138 4.181 4.320 -0.001 0.000 0.206 340 K C 1.919 178.521 176.600 0.005 0.000 1.050 340 K CA 1.236 57.523 56.287 0.001 0.000 0.935 340 K CB -0.095 32.410 32.500 0.008 0.000 0.715 340 K HN 0.465 nan 8.250 nan 0.000 0.439 341 E N 0.803 121.009 120.200 0.010 0.000 2.152 341 E HA -0.110 4.240 4.350 -0.001 0.000 0.192 341 E C 2.034 178.637 176.600 0.005 0.000 0.983 341 E CA 0.641 57.049 56.400 0.013 0.000 0.818 341 E CB 0.022 29.739 29.700 0.028 0.000 0.758 341 E HN 0.198 nan 8.360 nan 0.000 0.467 342 L N 0.469 121.697 121.223 0.008 0.000 2.056 342 L HA -0.147 4.193 4.340 -0.001 0.000 0.207 342 L C 2.649 179.514 176.870 -0.009 0.000 1.078 342 L CA 0.910 55.747 54.840 -0.005 0.000 0.749 342 L CB -0.180 41.889 42.059 0.017 0.000 0.901 342 L HN 0.032 nan 8.230 nan 0.000 0.433 343 R N 0.592 121.093 120.500 0.002 0.000 2.073 343 R HA -0.145 4.195 4.340 -0.001 0.000 0.234 343 R C 2.219 178.521 176.300 0.003 0.000 1.134 343 R CA 1.716 57.820 56.100 0.008 0.000 0.952 343 R CB -0.507 29.798 30.300 0.009 0.000 0.850 343 R HN 0.296 nan 8.270 nan 0.000 0.433 344 A N 0.586 123.405 122.820 -0.001 0.000 1.933 344 A HA -0.152 4.168 4.320 -0.001 0.000 0.218 344 A C 2.106 179.681 177.584 -0.015 0.000 1.175 344 A CA 1.874 53.909 52.037 -0.003 0.000 0.628 344 A CB -0.600 18.399 19.000 -0.001 0.000 0.814 344 A HN 0.595 nan 8.150 nan 0.000 0.444 345 M N -0.392 119.191 119.600 -0.028 0.000 2.254 345 M HA 0.105 4.585 4.480 -0.001 0.000 0.265 345 M C 1.592 177.846 176.300 -0.078 0.000 1.066 345 M CA 1.655 56.924 55.300 -0.053 0.000 1.123 345 M CB -0.966 31.594 32.600 -0.066 0.000 1.388 345 M HN 0.200 nan 8.290 nan 0.000 0.425 346 L N 0.105 121.287 121.223 -0.068 0.000 2.093 346 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 346 L C 1.975 178.838 176.870 -0.012 0.000 1.085 346 L CA 1.084 55.876 54.840 -0.080 0.000 0.755 346 L CB -1.042 41.016 42.059 -0.001 0.000 0.904 346 L HN 0.288 nan 8.230 nan 0.000 0.435 347 D N -0.390 120.017 120.400 0.012 0.000 2.144 347 D HA -0.217 4.423 4.640 -0.001 0.000 0.199 347 D C 2.159 178.474 176.300 0.024 0.000 0.984 347 D CA 1.038 55.058 54.000 0.033 0.000 0.834 347 D CB 0.004 40.818 40.800 0.023 0.000 0.955 347 D HN 0.186 nan 8.370 nan 0.000 0.465 348 Q N 0.285 120.084 119.800 -0.003 0.000 2.046 348 Q HA -0.077 4.262 4.340 -0.001 0.000 0.200 348 Q C 2.013 178.007 176.000 -0.009 0.000 0.975 348 Q CA 0.813 56.612 55.803 -0.006 0.000 0.836 348 Q CB -0.578 28.149 28.738 -0.018 0.000 0.896 348 Q HN 0.222 nan 8.270 nan 0.000 0.428 349 L N -0.055 121.136 121.223 -0.054 0.000 2.042 349 L HA -0.139 4.200 4.340 -0.001 0.000 0.210 349 L C 2.173 179.080 176.870 0.062 0.000 1.076 349 L CA 1.991 56.772 54.840 -0.098 0.000 0.749 349 L CB -0.922 40.923 42.059 -0.357 0.000 0.893 349 L HN 0.161 nan 8.230 nan 0.000 0.432 350 S N -1.220 114.572 115.700 0.154 0.000 2.356 350 S HA -0.202 4.268 4.470 -0.001 0.000 0.223 350 S C 1.876 176.563 174.600 0.145 0.000 1.032 350 S CA 1.808 60.174 58.200 0.277 0.000 1.005 350 S CB -0.573 62.755 63.200 0.214 0.000 0.867 350 S HN 0.788 nan 8.310 nan 0.000 0.449 351 T N -0.007 114.600 114.554 0.088 0.000 2.995 351 T HA 0.089 4.439 4.350 -0.001 0.000 0.269 351 T C 1.348 176.078 174.700 0.050 0.000 1.091 351 T CA 0.906 63.041 62.100 0.058 0.000 1.128 351 T CB -0.256 68.636 68.868 0.039 0.000 0.891 351 T HN 0.424 nan 8.240 nan 0.000 0.492 352 E N 1.107 121.339 120.200 0.052 0.000 2.170 352 E HA -0.014 4.335 4.350 -0.001 0.000 0.191 352 E C 2.352 178.986 176.600 0.056 0.000 0.981 352 E CA 1.411 57.836 56.400 0.041 0.000 0.830 352 E CB 0.043 29.758 29.700 0.026 0.000 0.775 352 E HN 0.799 nan 8.360 nan 0.000 0.470 353 T N -3.652 110.957 114.554 0.092 0.000 3.014 353 T HA 0.251 4.601 4.350 -0.001 0.000 0.250 353 T C 1.628 176.376 174.700 0.079 0.000 1.060 353 T CA 0.429 62.590 62.100 0.102 0.000 1.040 353 T CB 0.714 69.695 68.868 0.189 0.000 0.971 353 T HN 0.230 nan 8.240 nan 0.000 0.497 354 G N 2.222 111.068 108.800 0.075 0.000 2.159 354 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.256 354 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.256 354 G C 0.139 175.056 174.900 0.028 0.000 0.977 354 G CA 0.146 45.273 45.100 0.045 0.000 0.652 354 G HN 0.792 nan 8.290 nan 0.000 0.531 355 R N -0.342 120.178 120.500 0.033 0.000 2.700 355 R HA 0.710 5.049 4.340 -0.001 0.000 0.253 355 R C -0.065 176.184 176.300 -0.085 0.000 1.091 355 R CA -0.909 55.136 56.100 -0.092 0.000 1.104 355 R CB 1.144 31.278 30.300 -0.276 0.000 1.202 355 R HN 0.120 nan 8.270 nan 0.000 0.532 356 K N 1.762 122.056 120.400 -0.176 0.000 2.240 356 K HA 0.209 4.529 4.320 -0.001 0.000 0.271 356 K C -1.424 175.056 176.600 -0.200 0.000 1.018 356 K CA -0.351 55.885 56.287 -0.086 0.000 0.874 356 K CB 0.692 33.169 32.500 -0.038 0.000 1.098 356 K HN 0.470 nan 8.250 nan 0.000 0.458 357 Y N 2.042 122.366 120.300 0.039 0.000 2.342 357 Y HA 0.224 4.774 4.550 -0.001 0.000 0.334 357 Y C 0.316 176.252 175.900 0.060 0.000 1.067 357 Y CA -0.417 57.714 58.100 0.051 0.000 1.128 357 Y CB 1.576 40.061 38.460 0.041 0.000 1.200 357 Y HN 0.502 nan 8.280 nan 0.000 0.464 358 E N 2.664 122.997 120.200 0.221 0.000 2.214 358 E HA 0.411 4.760 4.350 -0.001 0.000 0.274 358 E C -1.531 175.177 176.600 0.180 0.000 0.977 358 E CA -1.083 55.428 56.400 0.183 0.000 0.827 358 E CB 2.124 31.971 29.700 0.246 0.000 1.130 358 E HN 0.344 nan 8.360 nan 0.000 0.394 359 L N 2.707 124.003 121.223 0.121 0.000 2.316 359 L HA 0.368 4.708 4.340 -0.001 0.000 0.280 359 L C -0.541 176.384 176.870 0.091 0.000 1.006 359 L CA 0.026 54.927 54.840 0.102 0.000 0.836 359 L CB 1.352 43.448 42.059 0.062 0.000 1.221 359 L HN 0.643 nan 8.230 nan 0.000 0.418 360 T N 0.733 115.378 114.554 0.153 0.000 2.864 360 T HA 0.850 5.200 4.350 -0.001 0.000 0.289 360 T C -0.624 174.198 174.700 0.203 0.000 1.082 360 T CA -0.770 61.419 62.100 0.148 0.000 1.009 360 T CB 1.747 70.797 68.868 0.303 0.000 1.234 360 T HN 0.581 nan 8.240 nan 0.000 0.526 361 S N -0.624 115.200 115.700 0.206 0.000 2.543 361 S HA 0.660 5.130 4.470 -0.001 0.000 0.273 361 S C -1.177 173.607 174.600 0.307 0.000 1.152 361 S CA -0.452 57.916 58.200 0.281 0.000 0.910 361 S CB 1.036 64.414 63.200 0.297 0.000 1.105 361 S HN 1.320 nan 8.310 nan 0.000 0.465 362 A N 4.658 127.688 122.820 0.350 0.000 2.260 362 A HA 0.760 5.079 4.320 -0.001 0.000 0.308 362 A C -0.014 177.725 177.584 0.259 0.000 1.254 362 A CA -0.666 51.561 52.037 0.317 0.000 0.874 362 A CB -0.201 19.025 19.000 0.376 0.000 1.153 362 A HN 1.069 nan 8.150 nan 0.000 0.527 363 I N 0.246 120.931 120.570 0.191 0.000 2.892 363 I HA 0.677 4.846 4.170 -0.001 0.000 0.306 363 I C 0.032 176.229 176.117 0.134 0.000 1.078 363 I CA -0.681 60.714 61.300 0.159 0.000 1.032 363 I CB 2.090 40.083 38.000 -0.011 0.000 1.229 363 I HN 0.451 nan 8.210 nan 0.000 0.435 364 S N 2.714 118.501 115.700 0.145 0.000 2.558 364 S HA 0.343 4.812 4.470 -0.001 0.000 0.288 364 S C 0.989 175.540 174.600 -0.083 0.000 1.318 364 S CA 0.323 58.484 58.200 -0.064 0.000 1.056 364 S CB 0.997 63.913 63.200 -0.474 0.000 0.853 364 S HN 0.847 nan 8.310 nan 0.000 0.505 365 A N 4.219 127.004 122.820 -0.058 0.000 2.238 365 A HA 0.394 4.714 4.320 -0.001 0.000 0.210 365 A C 1.148 178.761 177.584 0.048 0.000 1.179 365 A CA 0.363 52.422 52.037 0.036 0.000 0.827 365 A CB -0.607 18.508 19.000 0.191 0.000 0.856 365 A HN 0.950 nan 8.150 nan 0.000 0.488 366 G N -0.216 108.577 108.800 -0.011 0.000 2.365 366 G HA2 0.265 4.225 3.960 -0.001 0.000 0.249 366 G HA3 0.265 4.225 3.960 -0.001 0.000 0.249 366 G C 0.663 175.605 174.900 0.069 0.000 1.288 366 G CA 0.078 45.275 45.100 0.162 0.000 0.887 366 G HN 0.422 nan 8.290 nan 0.000 0.524 367 K N 1.276 121.718 120.400 0.070 0.000 2.097 367 K HA -0.158 4.162 4.320 -0.001 0.000 0.206 367 K C 2.068 178.662 176.600 -0.010 0.000 1.049 367 K CA 1.889 58.180 56.287 0.006 0.000 0.933 367 K CB 0.049 32.533 32.500 -0.027 0.000 0.717 367 K HN 0.680 nan 8.250 nan 0.000 0.442 368 D N 0.863 121.259 120.400 -0.007 0.000 2.144 368 D HA -0.217 4.423 4.640 -0.001 0.000 0.199 368 D C 1.214 177.484 176.300 -0.051 0.000 0.984 368 D CA 1.374 55.356 54.000 -0.028 0.000 0.834 368 D CB -0.189 40.599 40.800 -0.020 0.000 0.955 368 D HN 0.308 nan 8.370 nan 0.000 0.465 369 K N 0.220 120.572 120.400 -0.080 0.000 2.137 369 K HA 0.134 4.454 4.320 -0.001 0.000 0.202 369 K C 2.577 179.133 176.600 -0.074 0.000 1.052 369 K CA 0.184 56.388 56.287 -0.138 0.000 0.961 369 K CB 0.204 32.514 32.500 -0.317 0.000 0.741 369 K HN 0.222 nan 8.250 nan 0.000 0.452 370 I N 2.083 122.644 120.570 -0.016 0.000 2.361 370 I HA -0.242 3.927 4.170 -0.001 0.000 0.251 370 I C 1.449 177.610 176.117 0.073 0.000 1.133 370 I CA 1.175 62.537 61.300 0.103 0.000 1.413 370 I CB -0.309 37.727 38.000 0.060 0.000 1.073 370 I HN 0.089 nan 8.210 nan 0.000 0.424 371 D N 1.048 121.446 120.400 -0.004 0.000 2.219 371 D HA -0.140 4.500 4.640 -0.001 0.000 0.205 371 D C 2.054 178.308 176.300 -0.077 0.000 0.970 371 D CA 1.030 55.011 54.000 -0.031 0.000 0.851 371 D CB -0.075 40.704 40.800 -0.035 0.000 0.943 371 D HN 0.265 nan 8.370 nan 0.000 0.488 372 K N -0.313 120.022 120.400 -0.108 0.000 2.362 372 K HA 0.025 4.345 4.320 -0.001 0.000 0.200 372 K C 0.186 176.637 176.600 -0.247 0.000 1.046 372 K CA 0.343 56.537 56.287 -0.156 0.000 0.952 372 K CB 0.660 33.067 32.500 -0.155 0.000 0.753 372 K HN -0.028 nan 8.250 nan 0.000 0.466 373 V N 0.198 119.895 119.914 -0.361 0.000 2.823 373 V HA 0.406 4.525 4.120 -0.001 0.000 0.312 373 V C -0.680 175.103 176.094 -0.518 0.000 1.072 373 V CA -1.273 60.676 62.300 -0.586 0.000 0.937 373 V CB 1.765 32.879 31.823 -1.182 0.000 1.013 373 V HN -0.005 nan 8.190 nan 0.000 0.430 374 A N 2.237 124.830 122.820 -0.379 0.000 2.923 374 A HA 0.445 4.765 4.320 -0.001 0.000 0.306 374 A C 0.323 177.797 177.584 -0.183 0.000 1.542 374 A CA -0.166 51.749 52.037 -0.202 0.000 1.225 374 A CB -0.595 18.345 19.000 -0.100 0.000 1.147 374 A HN 0.816 nan 8.150 nan 0.000 0.542 375 Y N 1.598 121.887 120.300 -0.018 0.000 2.274 375 Y HA -0.252 4.297 4.550 -0.001 0.000 0.290 375 Y C 2.436 178.345 175.900 0.015 0.000 1.145 375 Y CA 1.858 59.962 58.100 0.006 0.000 1.203 375 Y CB -0.249 38.200 38.460 -0.018 0.000 0.984 375 Y HN 0.797 nan 8.280 nan 0.000 0.533 376 N N -0.148 118.632 118.700 0.134 0.000 2.289 376 N HA -0.128 4.611 4.740 -0.001 0.000 0.184 376 N C 1.600 177.144 175.510 0.057 0.000 1.016 376 N CA 1.674 54.771 53.050 0.078 0.000 0.872 376 N CB -0.815 37.701 38.487 0.048 0.000 0.973 376 N HN 0.294 nan 8.380 nan 0.000 0.433 377 V N 1.247 121.189 119.914 0.046 0.000 2.374 377 V HA 0.089 4.208 4.120 -0.001 0.000 0.241 377 V C 2.809 178.936 176.094 0.055 0.000 1.034 377 V CA 1.274 63.595 62.300 0.034 0.000 1.037 377 V CB -0.873 30.959 31.823 0.014 0.000 0.682 377 V HN 0.408 nan 8.190 nan 0.000 0.463 378 A N 0.921 123.790 122.820 0.083 0.000 1.940 378 A HA -0.317 4.002 4.320 -0.001 0.000 0.219 378 A C 2.219 179.881 177.584 0.130 0.000 1.176 378 A CA 2.153 54.269 52.037 0.131 0.000 0.631 378 A CB -0.668 18.485 19.000 0.256 0.000 0.814 378 A HN 0.774 nan 8.150 nan 0.000 0.446 379 Q N -0.114 119.767 119.800 0.136 0.000 2.217 379 Q HA -0.254 4.086 4.340 -0.001 0.000 0.209 379 Q C 1.257 177.279 176.000 0.037 0.000 0.988 379 Q CA 1.773 57.627 55.803 0.086 0.000 0.878 379 Q CB -0.648 28.131 28.738 0.069 0.000 0.909 379 Q HN 0.638 nan 8.270 nan 0.000 0.424 380 N N 0.467 119.187 118.700 0.034 0.000 2.309 380 N HA -0.061 4.678 4.740 -0.001 0.000 0.182 380 N C 1.272 176.788 175.510 0.011 0.000 1.018 380 N CA 1.415 54.475 53.050 0.017 0.000 0.876 380 N CB -0.038 38.459 38.487 0.017 0.000 0.972 380 N HN 0.286 nan 8.380 nan 0.000 0.434 381 S N 0.057 115.767 115.700 0.017 0.000 2.503 381 S HA 0.234 4.704 4.470 -0.001 0.000 0.217 381 S C 0.858 175.460 174.600 0.003 0.000 0.999 381 S CA 0.093 58.298 58.200 0.010 0.000 0.914 381 S CB 0.445 63.650 63.200 0.008 0.000 0.782 381 S HN 0.214 nan 8.310 nan 0.000 0.520 382 M N 1.457 121.057 119.600 -0.001 0.000 2.363 382 M HA 0.298 4.777 4.480 -0.001 0.000 0.343 382 M C 0.184 176.422 176.300 -0.103 0.000 1.165 382 M CA -0.373 54.910 55.300 -0.027 0.000 1.046 382 M CB 1.301 33.905 32.600 0.006 0.000 1.648 382 M HN -0.025 nan 8.290 nan 0.000 0.452 383 D N 0.581 120.876 120.400 -0.175 0.000 2.149 383 D HA 0.023 4.663 4.640 -0.001 0.000 0.206 383 D C -0.072 175.794 176.300 -0.723 0.000 0.967 383 D CA 1.445 55.192 54.000 -0.423 0.000 0.848 383 D CB 0.331 40.864 40.800 -0.444 0.000 0.998 383 D HN 0.603 nan 8.370 nan 0.000 0.474 384 H N -1.349 117.597 119.070 -0.207 0.000 2.930 384 H HA 0.503 5.059 4.556 -0.001 0.000 0.371 384 H C -0.830 174.181 175.328 -0.528 0.000 1.169 384 H CA -0.599 55.187 56.048 -0.437 0.000 1.157 384 H CB 2.342 31.620 29.762 -0.806 0.000 1.789 384 H HN -0.182 nan 8.280 nan 0.000 0.547 385 I N 2.747 123.091 120.570 -0.378 0.000 2.382 385 I HA 0.176 4.346 4.170 -0.001 0.000 0.285 385 I C -0.943 174.955 176.117 -0.365 0.000 1.007 385 I CA -0.451 60.672 61.300 -0.295 0.000 1.142 385 I CB 0.679 38.572 38.000 -0.177 0.000 1.289 385 I HN 0.395 nan 8.210 nan 0.000 0.453 386 F N 7.065 126.943 119.950 -0.121 0.000 2.405 386 F HA 0.246 4.772 4.527 -0.001 0.000 0.358 386 F C 0.176 175.953 175.800 -0.038 0.000 1.151 386 F CA -0.622 57.164 58.000 -0.357 0.000 1.161 386 F CB 0.555 38.967 39.000 -0.980 0.000 1.245 386 F HN 0.292 nan 8.300 nan 0.000 0.545 387 L N 5.335 126.761 121.223 0.338 0.000 2.385 387 L HA 0.250 4.590 4.340 -0.001 0.000 0.281 387 L C 0.124 177.172 176.870 0.297 0.000 1.106 387 L CA 0.170 55.156 54.840 0.244 0.000 0.856 387 L CB 0.146 42.302 42.059 0.161 0.000 1.186 387 L HN 0.518 nan 8.230 nan 0.000 0.453 388 M N 4.803 124.455 119.600 0.086 0.000 3.254 388 M HA 0.092 4.571 4.480 -0.001 0.000 0.257 388 M C 0.636 176.561 176.300 -0.624 0.000 1.490 388 M CA 0.136 55.195 55.300 -0.402 0.000 1.620 388 M CB -0.444 31.977 32.600 -0.298 0.000 1.157 388 M HN 0.725 nan 8.290 nan 0.000 0.541 389 S N 1.631 117.022 115.700 -0.513 0.000 3.697 389 S HA 0.317 4.787 4.470 -0.001 0.000 0.207 389 S C -0.610 173.543 174.600 -0.744 0.000 1.459 389 S CA -0.601 57.375 58.200 -0.373 0.000 1.122 389 S CB -0.993 62.228 63.200 0.035 0.000 1.311 389 S HN 0.580 nan 8.310 nan 0.000 0.487 390 Y N -3.152 116.669 120.300 -0.798 0.000 2.689 390 Y HA 0.622 5.171 4.550 -0.001 0.000 0.333 390 Y C -0.294 175.258 175.900 -0.580 0.000 1.208 390 Y CA -1.739 55.961 58.100 -0.666 0.000 1.055 390 Y CB -0.037 38.277 38.460 -0.244 0.000 1.304 390 Y HN 0.127 nan 8.280 nan 0.000 0.455 391 D N -0.372 120.035 120.400 0.011 0.000 3.068 391 D HA -0.193 4.446 4.640 -0.001 0.000 0.218 391 D C 0.551 176.940 176.300 0.149 0.000 1.145 391 D CA 1.132 55.221 54.000 0.147 0.000 0.896 391 D CB -1.266 39.626 40.800 0.154 0.000 1.105 391 D HN 0.505 nan 8.370 nan 0.000 0.423 392 F N -0.310 119.696 119.950 0.094 0.000 2.126 392 F HA -0.035 4.491 4.527 -0.001 0.000 0.299 392 F C 1.148 176.854 175.800 -0.157 0.000 1.096 392 F CA 1.087 59.012 58.000 -0.125 0.000 1.255 392 F CB -0.337 38.675 39.000 0.019 0.000 0.997 392 F HN 0.081 nan 8.300 nan 0.000 0.479 393 Y N -1.856 118.724 120.300 0.467 0.000 2.588 393 Y HA 0.648 5.197 4.550 -0.001 0.000 0.343 393 Y C 0.449 176.299 175.900 -0.083 0.000 1.065 393 Y CA -1.085 57.190 58.100 0.293 0.000 1.038 393 Y CB 1.811 40.523 38.460 0.420 0.000 1.297 393 Y HN -0.079 nan 8.280 nan 0.000 0.467 394 G N -0.471 108.049 108.800 -0.467 0.000 2.428 394 G HA2 0.443 4.403 3.960 -0.001 0.000 0.304 394 G HA3 0.443 4.403 3.960 -0.001 0.000 0.304 394 G C -0.611 173.768 174.900 -0.867 0.000 1.303 394 G CA -0.276 44.275 45.100 -0.914 0.000 0.825 394 G HN 0.825 nan 8.290 nan 0.000 0.484 395 A N -0.679 121.699 122.820 -0.737 0.000 2.239 395 A HA 0.327 4.646 4.320 -0.001 0.000 0.209 395 A C 1.671 179.262 177.584 0.012 0.000 1.171 395 A CA 1.726 53.574 52.037 -0.315 0.000 0.768 395 A CB -0.952 17.901 19.000 -0.245 0.000 0.790 395 A HN 1.186 nan 8.150 nan 0.000 0.478 396 F N -1.549 118.485 119.950 0.139 0.000 2.615 396 F HA 0.300 4.826 4.527 -0.001 0.000 0.297 396 F C 0.216 176.139 175.800 0.205 0.000 1.124 396 F CA -0.512 57.570 58.000 0.137 0.000 1.451 396 F CB -0.085 38.966 39.000 0.086 0.000 1.103 396 F HN 0.096 nan 8.300 nan 0.000 0.569 397 D N 0.706 121.208 120.400 0.170 0.000 2.549 397 D HA 0.340 4.980 4.640 -0.001 0.000 0.251 397 D C 0.215 176.706 176.300 0.319 0.000 1.153 397 D CA -0.304 53.859 54.000 0.271 0.000 0.861 397 D CB 1.779 42.762 40.800 0.304 0.000 1.207 397 D HN 0.154 nan 8.370 nan 0.000 0.543 398 L N 2.731 124.088 121.223 0.223 0.000 2.590 398 L HA 0.138 4.478 4.340 -0.001 0.000 0.227 398 L C 1.820 178.680 176.870 -0.017 0.000 1.099 398 L CA 0.110 55.042 54.840 0.153 0.000 0.872 398 L CB 0.284 42.437 42.059 0.157 0.000 1.088 398 L HN 0.119 nan 8.230 nan 0.000 0.479 399 K N -0.181 120.236 120.400 0.028 0.000 2.244 399 K HA 0.182 4.501 4.320 -0.001 0.000 0.200 399 K C 0.195 176.772 176.600 -0.040 0.000 1.052 399 K CA 0.412 56.692 56.287 -0.011 0.000 0.980 399 K CB 0.105 32.623 32.500 0.030 0.000 0.838 399 K HN 0.170 nan 8.250 nan 0.000 0.481 400 N N 2.106 120.822 118.700 0.028 0.000 2.501 400 N HA 0.251 4.990 4.740 -0.001 0.000 0.245 400 N C -0.391 175.120 175.510 0.003 0.000 0.974 400 N CA -0.134 52.953 53.050 0.061 0.000 0.941 400 N CB 1.444 40.059 38.487 0.213 0.000 1.122 400 N HN -0.013 nan 8.380 nan 0.000 0.507 401 L N 0.784 121.838 121.223 -0.281 0.000 2.343 401 L HA 0.851 5.190 4.340 -0.001 0.000 0.275 401 L C 0.984 177.525 176.870 -0.548 0.000 1.056 401 L CA -0.746 53.748 54.840 -0.577 0.000 0.804 401 L CB 1.541 43.089 42.059 -0.851 0.000 1.203 401 L HN 0.516 nan 8.230 nan 0.000 0.440 402 G N -0.458 107.957 108.800 -0.641 0.000 2.441 402 G HA2 0.257 4.217 3.960 -0.001 0.000 0.294 402 G HA3 0.257 4.217 3.960 -0.001 0.000 0.294 402 G C -1.708 172.795 174.900 -0.660 0.000 1.393 402 G CA -0.839 43.526 45.100 -1.224 0.000 0.796 402 G HN 0.633 nan 8.290 nan 0.000 0.494 403 H N 0.858 119.584 119.070 -0.575 0.000 3.017 403 H HA 0.181 4.736 4.556 -0.001 0.000 0.276 403 H C 1.640 177.141 175.328 0.288 0.000 1.062 403 H CA 0.275 56.213 56.048 -0.182 0.000 1.486 403 H CB 1.596 31.198 29.762 -0.266 0.000 1.507 403 H HN 0.627 nan 8.280 nan 0.000 0.508 404 Q N 1.945 122.002 119.800 0.429 0.000 2.291 404 Q HA -0.092 4.248 4.340 -0.001 0.000 0.205 404 Q C 0.585 176.695 176.000 0.183 0.000 0.970 404 Q CA 1.850 57.884 55.803 0.385 0.000 0.876 404 Q CB 0.349 29.237 28.738 0.250 0.000 0.935 404 Q HN 0.612 nan 8.270 nan 0.000 0.455 405 T N -2.814 111.843 114.554 0.171 0.000 3.403 405 T HA 0.628 4.977 4.350 -0.001 0.000 0.308 405 T C 0.216 175.019 174.700 0.172 0.000 0.952 405 T CA -0.247 61.877 62.100 0.040 0.000 0.970 405 T CB 0.309 69.143 68.868 -0.057 0.000 1.189 405 T HN 0.417 nan 8.240 nan 0.000 0.528 406 A N 1.473 124.420 122.820 0.212 0.000 2.507 406 A HA 0.549 4.868 4.320 -0.001 0.000 0.235 406 A C 1.484 179.108 177.584 0.067 0.000 1.070 406 A CA -0.310 51.752 52.037 0.040 0.000 0.768 406 A CB 0.057 19.027 19.000 -0.050 0.000 1.011 406 A HN 0.370 nan 8.150 nan 0.000 0.502 407 L N 1.328 122.513 121.223 -0.064 0.000 2.044 407 L HA 0.036 4.376 4.340 -0.001 0.000 0.205 407 L C 0.802 177.567 176.870 -0.175 0.000 1.075 407 L CA 1.591 56.344 54.840 -0.145 0.000 0.747 407 L CB -0.390 41.551 42.059 -0.195 0.000 0.903 407 L HN 0.805 nan 8.230 nan 0.000 0.435 408 N N -1.004 117.601 118.700 -0.158 0.000 2.653 408 N HA 0.489 5.229 4.740 -0.001 0.000 0.294 408 N C -0.792 174.617 175.510 -0.168 0.000 1.305 408 N CA -0.122 52.830 53.050 -0.163 0.000 0.827 408 N CB 0.955 39.352 38.487 -0.150 0.000 1.415 408 N HN 0.108 nan 8.380 nan 0.000 0.546 409 A N 1.137 123.844 122.820 -0.189 0.000 2.388 409 A HA 0.431 4.750 4.320 -0.001 0.000 0.257 409 A C -2.102 175.295 177.584 -0.311 0.000 1.095 409 A CA -0.965 50.919 52.037 -0.255 0.000 0.791 409 A CB -0.337 18.522 19.000 -0.234 0.000 1.029 409 A HN 0.416 nan 8.150 nan 0.000 0.489 410 P HA 0.217 nan 4.420 nan 0.000 0.274 410 P C 0.771 177.715 177.300 -0.593 0.000 1.237 410 P CA 0.370 63.060 63.100 -0.684 0.000 0.793 410 P CB 1.012 31.719 31.700 -1.654 0.000 0.977 411 A N 2.810 125.430 122.820 -0.333 0.000 1.908 411 A HA -0.165 4.154 4.320 -0.001 0.000 0.218 411 A C 1.845 179.400 177.584 -0.048 0.000 1.181 411 A CA 1.620 53.601 52.037 -0.092 0.000 0.627 411 A CB -1.695 17.368 19.000 0.105 0.000 0.818 411 A HN 0.791 nan 8.150 nan 0.000 0.445 412 W N -1.568 119.700 121.300 -0.053 0.000 2.825 412 W HA 0.263 4.923 4.660 -0.001 0.000 0.243 412 W C 0.535 177.005 176.519 -0.082 0.000 1.293 412 W CA 0.892 58.198 57.345 -0.064 0.000 1.403 412 W CB -0.489 28.926 29.460 -0.075 0.000 1.134 412 W HN 0.332 nan 8.180 nan 0.000 0.666 413 K N 0.665 120.883 120.400 -0.302 0.000 3.204 413 K HA 0.155 4.475 4.320 -0.001 0.000 0.196 413 K C -2.320 174.091 176.600 -0.315 0.000 1.229 413 K CA -0.824 55.299 56.287 -0.274 0.000 0.820 413 K CB 0.728 33.050 32.500 -0.296 0.000 1.130 413 K HN -0.406 nan 8.250 nan 0.000 0.569 414 P HA -0.192 nan 4.420 nan 0.000 0.220 414 P C 0.380 177.584 177.300 -0.159 0.000 1.144 414 P CA 1.210 64.202 63.100 -0.181 0.000 0.800 414 P CB 0.125 31.755 31.700 -0.116 0.000 0.772 415 D N -2.874 117.438 120.400 -0.146 0.000 2.328 415 D HA -0.012 4.627 4.640 -0.001 0.000 0.221 415 D C -0.134 176.074 176.300 -0.153 0.000 1.072 415 D CA 0.145 54.068 54.000 -0.129 0.000 0.850 415 D CB -0.850 39.890 40.800 -0.100 0.000 0.922 415 D HN 0.011 nan 8.370 nan 0.000 0.516 416 T N 1.134 115.577 114.554 -0.185 0.000 2.867 416 T HA 0.143 4.493 4.350 -0.001 0.000 0.290 416 T C 1.388 175.972 174.700 -0.194 0.000 1.025 416 T CA 0.464 62.459 62.100 -0.174 0.000 1.146 416 T CB 1.399 70.141 68.868 -0.209 0.000 1.024 416 T HN 0.279 nan 8.240 nan 0.000 0.519 417 A N 3.993 126.665 122.820 -0.247 0.000 1.855 417 A HA 0.043 4.363 4.320 -0.001 0.000 0.213 417 A C 0.524 177.875 177.584 -0.389 0.000 1.195 417 A CA 0.795 52.606 52.037 -0.378 0.000 0.610 417 A CB -0.341 18.299 19.000 -0.600 0.000 0.837 417 A HN 0.758 nan 8.150 nan 0.000 0.444 418 Y N 1.443 121.532 120.300 -0.352 0.000 2.640 418 Y HA 0.463 5.012 4.550 -0.001 0.000 0.355 418 Y C 0.297 175.557 175.900 -1.067 0.000 1.088 418 Y CA -0.291 57.370 58.100 -0.731 0.000 1.443 418 Y CB -0.359 37.684 38.460 -0.695 0.000 1.224 418 Y HN 0.051 nan 8.280 nan 0.000 0.516 419 T N 0.891 114.969 114.554 -0.793 0.000 2.900 419 T HA 0.191 4.540 4.350 -0.001 0.000 0.303 419 T C 1.086 175.606 174.700 -0.301 0.000 1.142 419 T CA -0.595 61.173 62.100 -0.553 0.000 1.007 419 T CB 1.760 70.467 68.868 -0.268 0.000 1.156 419 T HN 0.460 nan 8.240 nan 0.000 0.490 420 T N 1.778 116.342 114.554 0.017 0.000 2.652 420 T HA -0.148 4.201 4.350 -0.001 0.000 0.267 420 T C 2.309 177.018 174.700 0.016 0.000 1.039 420 T CA 2.041 64.226 62.100 0.141 0.000 1.153 420 T CB -0.413 68.509 68.868 0.090 0.000 0.863 420 T HN 0.638 nan 8.240 nan 0.000 0.428 421 V N 1.551 121.402 119.914 -0.104 0.000 2.392 421 V HA -0.188 3.931 4.120 -0.001 0.000 0.249 421 V C 2.092 178.183 176.094 -0.006 0.000 1.059 421 V CA 1.839 64.105 62.300 -0.056 0.000 1.051 421 V CB -0.840 30.909 31.823 -0.122 0.000 0.658 421 V HN 0.278 nan 8.190 nan 0.000 0.455 422 N N 1.963 120.627 118.700 -0.060 0.000 2.120 422 N HA -0.062 4.678 4.740 -0.001 0.000 0.188 422 N C 1.927 177.428 175.510 -0.014 0.000 1.024 422 N CA 1.988 55.005 53.050 -0.056 0.000 0.852 422 N CB -1.053 37.368 38.487 -0.110 0.000 1.003 422 N HN 0.649 nan 8.380 nan 0.000 0.424 423 G N 0.896 109.700 108.800 0.006 0.000 2.480 423 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.216 423 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.216 423 G C 1.677 176.602 174.900 0.041 0.000 1.200 423 G CA 1.146 46.270 45.100 0.041 0.000 0.782 423 G HN 0.210 nan 8.290 nan 0.000 0.554 424 V N 1.586 121.549 119.914 0.082 0.000 2.392 424 V HA -0.207 3.913 4.120 -0.001 0.000 0.249 424 V C 2.655 178.786 176.094 0.062 0.000 1.059 424 V CA 1.878 64.235 62.300 0.096 0.000 1.051 424 V CB -0.511 31.441 31.823 0.215 0.000 0.658 424 V HN 0.316 nan 8.190 nan 0.000 0.455 425 N N 0.500 119.236 118.700 0.060 0.000 2.188 425 N HA -0.087 4.653 4.740 -0.001 0.000 0.184 425 N C 1.943 177.464 175.510 0.018 0.000 1.018 425 N CA 1.609 54.682 53.050 0.037 0.000 0.858 425 N CB -0.436 38.070 38.487 0.032 0.000 0.989 425 N HN 0.495 nan 8.380 nan 0.000 0.426 426 A N 1.365 124.192 122.820 0.011 0.000 1.877 426 A HA -0.081 4.238 4.320 -0.001 0.000 0.216 426 A C 2.387 179.982 177.584 0.017 0.000 1.186 426 A CA 1.043 53.085 52.037 0.009 0.000 0.620 426 A CB -0.747 18.255 19.000 0.004 0.000 0.822 426 A HN 0.208 nan 8.150 nan 0.000 0.443 427 L N -0.714 120.513 121.223 0.005 0.000 2.027 427 L HA -0.131 4.208 4.340 -0.001 0.000 0.206 427 L C 2.560 179.439 176.870 0.015 0.000 1.074 427 L CA 0.939 55.779 54.840 0.001 0.000 0.745 427 L CB -0.609 41.413 42.059 -0.061 0.000 0.898 427 L HN 0.337 nan 8.230 nan 0.000 0.433 428 L N -0.141 121.089 121.223 0.011 0.000 2.079 428 L HA -0.221 4.118 4.340 -0.001 0.000 0.210 428 L C 2.927 179.805 176.870 0.013 0.000 1.081 428 L CA 1.162 56.008 54.840 0.010 0.000 0.752 428 L CB -0.808 41.255 42.059 0.008 0.000 0.896 428 L HN 0.281 nan 8.230 nan 0.000 0.433 429 A N -0.344 122.484 122.820 0.014 0.000 1.908 429 A HA -0.258 4.062 4.320 -0.001 0.000 0.218 429 A C 2.182 179.776 177.584 0.017 0.000 1.181 429 A CA 1.580 53.624 52.037 0.012 0.000 0.627 429 A CB -0.494 18.511 19.000 0.007 0.000 0.818 429 A HN 0.500 nan 8.150 nan 0.000 0.445 430 Q N -1.978 117.839 119.800 0.029 0.000 2.291 430 Q HA 0.094 4.434 4.340 -0.001 0.000 0.205 430 Q C 1.238 177.259 176.000 0.034 0.000 0.970 430 Q CA 0.767 56.593 55.803 0.038 0.000 0.876 430 Q CB -0.105 28.677 28.738 0.074 0.000 0.935 430 Q HN 0.978 nan 8.270 nan 0.000 0.455 431 G N 0.001 108.819 108.800 0.029 0.000 2.154 431 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.186 431 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.186 431 G C 0.064 174.980 174.900 0.027 0.000 1.000 431 G CA -0.141 44.972 45.100 0.023 0.000 0.664 431 G HN 0.153 nan 8.290 nan 0.000 0.513 432 V N 1.818 121.752 119.914 0.034 0.000 2.655 432 V HA 0.326 4.446 4.120 -0.001 0.000 0.300 432 V C 0.772 176.870 176.094 0.008 0.000 1.044 432 V CA -0.358 61.959 62.300 0.029 0.000 1.095 432 V CB 1.115 32.953 31.823 0.026 0.000 0.952 432 V HN 0.242 nan 8.190 nan 0.000 0.485 433 K N 7.136 127.538 120.400 0.003 0.000 2.350 433 K HA 0.204 4.524 4.320 -0.001 0.000 0.279 433 K C -1.393 175.198 176.600 -0.015 0.000 1.027 433 K CA -2.511 53.772 56.287 -0.006 0.000 0.969 433 K CB 0.301 32.797 32.500 -0.007 0.000 0.954 433 K HN 0.342 nan 8.250 nan 0.000 0.474 434 P HA -0.155 nan 4.420 nan 0.000 0.216 434 P C 1.189 178.475 177.300 -0.024 0.000 1.150 434 P CA 1.324 64.406 63.100 -0.030 0.000 0.837 434 P CB 0.129 31.803 31.700 -0.044 0.000 0.786 435 G N 0.190 108.980 108.800 -0.016 0.000 2.470 435 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.220 435 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.220 435 G C 1.608 176.512 174.900 0.006 0.000 1.121 435 G CA 0.454 45.553 45.100 -0.002 0.000 0.766 435 G HN 0.311 nan 8.290 nan 0.000 0.553 436 K N -0.514 119.876 120.400 -0.016 0.000 2.365 436 K HA 0.189 4.509 4.320 -0.001 0.000 0.197 436 K C 0.349 176.921 176.600 -0.047 0.000 1.042 436 K CA -0.058 56.206 56.287 -0.038 0.000 0.987 436 K CB 0.200 32.666 32.500 -0.057 0.000 0.779 436 K HN 0.306 nan 8.250 nan 0.000 0.484 437 I N 2.100 122.652 120.570 -0.030 0.000 2.352 437 I HA 0.055 4.225 4.170 -0.001 0.000 0.290 437 I C -0.454 175.678 176.117 0.025 0.000 1.036 437 I CA -0.587 60.701 61.300 -0.020 0.000 1.336 437 I CB 1.280 39.278 38.000 -0.004 0.000 1.407 437 I HN -0.295 nan 8.210 nan 0.000 0.497 438 V N 7.484 127.426 119.914 0.047 0.000 2.357 438 V HA 0.278 4.398 4.120 -0.001 0.000 0.284 438 V C 0.237 176.562 176.094 0.384 0.000 1.018 438 V CA -0.765 61.649 62.300 0.190 0.000 0.841 438 V CB 1.533 33.455 31.823 0.164 0.000 0.991 438 V HN 0.397 nan 8.190 nan 0.000 0.437 439 V N 3.967 124.066 119.914 0.308 0.000 2.649 439 V HA 0.550 4.670 4.120 -0.001 0.000 0.292 439 V C 1.059 177.253 176.094 0.166 0.000 1.055 439 V CA 0.082 62.536 62.300 0.257 0.000 1.023 439 V CB 1.480 33.429 31.823 0.210 0.000 0.992 439 V HN 0.962 nan 8.190 nan 0.000 0.480 440 G N 2.442 111.230 108.800 -0.020 0.000 2.389 440 G HA2 0.626 4.585 3.960 -0.001 0.000 0.317 440 G HA3 0.626 4.585 3.960 -0.001 0.000 0.317 440 G C -0.179 174.638 174.900 -0.138 0.000 1.137 440 G CA -0.096 44.728 45.100 -0.460 0.000 0.870 440 G HN 0.870 nan 8.290 nan 0.000 0.496 441 T N -1.700 112.775 114.554 -0.131 0.000 2.893 441 T HA 0.741 5.091 4.350 -0.001 0.000 0.291 441 T C -0.232 174.441 174.700 -0.044 0.000 1.028 441 T CA -0.476 61.594 62.100 -0.049 0.000 0.995 441 T CB 2.001 70.829 68.868 -0.067 0.000 1.051 441 T HN 1.126 nan 8.240 nan 0.000 0.470 442 A N 3.015 125.762 122.820 -0.122 0.000 2.305 442 A HA 0.719 5.039 4.320 -0.001 0.000 0.322 442 A C 0.559 178.025 177.584 -0.196 0.000 1.187 442 A CA -1.020 50.828 52.037 -0.314 0.000 0.825 442 A CB 0.603 19.184 19.000 -0.698 0.000 1.164 442 A HN 0.984 nan 8.150 nan 0.000 0.498 443 M N 1.887 121.472 119.600 -0.026 0.000 2.560 443 M HA 0.240 4.720 4.480 -0.001 0.000 0.297 443 M C -1.004 175.453 176.300 0.262 0.000 1.201 443 M CA 0.199 55.546 55.300 0.078 0.000 0.973 443 M CB -0.244 32.385 32.600 0.047 0.000 1.401 443 M HN 0.772 nan 8.290 nan 0.000 0.497 444 Y N -3.221 117.160 120.300 0.135 0.000 2.638 444 Y HA 0.884 5.433 4.550 -0.001 0.000 0.335 444 Y C -0.557 175.463 175.900 0.200 0.000 1.155 444 Y CA -1.841 56.353 58.100 0.156 0.000 1.046 444 Y CB 0.443 38.981 38.460 0.131 0.000 1.303 444 Y HN -0.084 nan 8.280 nan 0.000 0.460 445 G N 1.089 110.010 108.800 0.202 0.000 2.537 445 G HA2 0.721 4.681 3.960 -0.001 0.000 0.308 445 G HA3 0.721 4.681 3.960 -0.001 0.000 0.308 445 G C -1.572 173.460 174.900 0.220 0.000 1.237 445 G CA -1.526 43.687 45.100 0.189 0.000 0.968 445 G HN 0.663 nan 8.290 nan 0.000 0.481 446 R N -0.602 119.979 120.500 0.134 0.000 2.562 446 R HA 0.684 5.023 4.340 -0.001 0.000 0.298 446 R C -0.171 176.007 176.300 -0.204 0.000 0.961 446 R CA -0.487 55.599 56.100 -0.024 0.000 0.881 446 R CB 2.281 32.525 30.300 -0.093 0.000 1.159 446 R HN 0.722 nan 8.270 nan 0.000 0.450 447 G N 1.244 109.842 108.800 -0.337 0.000 2.695 447 G HA2 0.554 4.514 3.960 -0.001 0.000 0.290 447 G HA3 0.554 4.514 3.960 -0.001 0.000 0.290 447 G C -1.664 172.964 174.900 -0.454 0.000 1.410 447 G CA -0.545 44.356 45.100 -0.333 0.000 0.844 447 G HN 0.352 nan 8.290 nan 0.000 0.478 448 W N 0.305 121.654 121.300 0.082 0.000 2.799 448 W HA 0.565 5.225 4.660 -0.001 0.000 0.349 448 W C -0.075 176.476 176.519 0.054 0.000 1.100 448 W CA -0.557 56.820 57.345 0.054 0.000 1.174 448 W CB 2.207 31.688 29.460 0.035 0.000 1.427 448 W HN 0.682 nan 8.180 nan 0.000 0.547 449 T N -1.823 112.889 114.554 0.263 0.000 2.937 449 T HA 0.521 4.871 4.350 -0.001 0.000 0.283 449 T C 0.808 175.594 174.700 0.143 0.000 1.012 449 T CA -0.039 62.151 62.100 0.150 0.000 0.997 449 T CB 1.322 70.238 68.868 0.079 0.000 1.136 449 T HN 0.854 nan 8.240 nan 0.000 0.551 450 G N 0.378 109.228 108.800 0.083 0.000 2.379 450 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.297 450 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.297 450 G C 0.130 175.086 174.900 0.092 0.000 1.004 450 G CA 0.121 45.263 45.100 0.070 0.000 0.921 450 G HN 0.900 nan 8.290 nan 0.000 0.511 451 V N 0.854 120.845 119.914 0.129 0.000 2.599 451 V HA 0.397 4.516 4.120 -0.001 0.000 0.300 451 V C 0.595 176.831 176.094 0.237 0.000 1.034 451 V CA 0.610 62.972 62.300 0.103 0.000 1.115 451 V CB 0.611 32.443 31.823 0.016 0.000 0.934 451 V HN 0.931 nan 8.190 nan 0.000 0.485 452 N N 2.091 120.904 118.700 0.188 0.000 2.853 452 N HA 0.647 5.386 4.740 -0.001 0.000 0.258 452 N C 0.342 175.878 175.510 0.044 0.000 1.444 452 N CA -0.233 52.903 53.050 0.143 0.000 0.837 452 N CB 1.483 39.991 38.487 0.034 0.000 1.489 452 N HN 0.867 nan 8.380 nan 0.000 0.529 453 G N -1.202 107.506 108.800 -0.153 0.000 2.225 453 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.267 453 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.267 453 G C -0.490 174.301 174.900 -0.181 0.000 1.024 453 G CA 0.991 45.980 45.100 -0.185 0.000 0.784 453 G HN 0.905 nan 8.290 nan 0.000 0.507 454 Y N -1.747 118.459 120.300 -0.157 0.000 2.307 454 Y HA 0.797 5.346 4.550 -0.001 0.000 0.324 454 Y C 0.357 176.152 175.900 -0.175 0.000 1.238 454 Y CA -1.741 56.227 58.100 -0.219 0.000 1.280 454 Y CB 0.923 39.187 38.460 -0.327 0.000 1.248 454 Y HN 0.177 nan 8.280 nan 0.000 0.508 455 Q N 1.548 121.305 119.800 -0.072 0.000 2.266 455 Q HA 0.375 4.715 4.340 -0.001 0.000 0.261 455 Q C -0.249 175.712 176.000 -0.065 0.000 0.985 455 Q CA -0.430 55.318 55.803 -0.093 0.000 0.873 455 Q CB 0.841 29.528 28.738 -0.085 0.000 1.306 455 Q HN 0.795 nan 8.270 nan 0.000 0.447 456 N N 3.392 122.060 118.700 -0.053 0.000 2.708 456 N HA -0.289 4.450 4.740 -0.001 0.000 0.249 456 N C -0.884 174.610 175.510 -0.027 0.000 1.097 456 N CA 1.060 54.087 53.050 -0.038 0.000 0.710 456 N CB -0.684 37.775 38.487 -0.048 0.000 1.032 456 N HN 0.848 nan 8.380 nan 0.000 0.551 457 N N -1.381 117.341 118.700 0.036 0.000 2.782 457 N HA -0.185 4.554 4.740 -0.001 0.000 0.251 457 N C -0.905 174.529 175.510 -0.127 0.000 1.101 457 N CA 0.952 54.031 53.050 0.050 0.000 0.764 457 N CB -0.720 37.785 38.487 0.031 0.000 1.122 457 N HN 0.378 nan 8.380 nan 0.000 0.561 458 I N 0.849 121.273 120.570 -0.244 0.000 2.371 458 I HA 0.221 4.390 4.170 -0.001 0.000 0.282 458 I C -1.466 174.211 176.117 -0.734 0.000 1.031 458 I CA -1.971 58.986 61.300 -0.572 0.000 1.180 458 I CB 1.136 38.633 38.000 -0.838 0.000 1.336 458 I HN -0.272 nan 8.210 nan 0.000 0.467 459 P HA -0.095 nan 4.420 nan 0.000 0.221 459 P C 1.424 178.127 177.300 -0.995 0.000 1.145 459 P CA 1.279 63.452 63.100 -1.545 0.000 0.795 459 P CB 0.055 30.367 31.700 -2.314 0.000 0.775 460 F N -0.054 119.365 119.950 -0.885 0.000 2.604 460 F HA -0.046 4.481 4.527 -0.001 0.000 0.298 460 F C 2.054 177.472 175.800 -0.637 0.000 1.131 460 F CA 1.447 58.957 58.000 -0.816 0.000 1.457 460 F CB -1.586 36.881 39.000 -0.889 0.000 1.095 460 F HN 0.029 nan 8.300 nan 0.000 0.574 461 T N -3.282 111.013 114.554 -0.431 0.000 3.060 461 T HA 0.359 4.708 4.350 -0.001 0.000 0.249 461 T C 1.324 175.940 174.700 -0.141 0.000 1.079 461 T CA 0.342 62.300 62.100 -0.238 0.000 1.013 461 T CB -0.398 68.326 68.868 -0.239 0.000 0.975 461 T HN 0.138 nan 8.240 nan 0.000 0.518 462 G N 1.407 110.122 108.800 -0.142 0.000 2.531 462 G HA2 0.544 4.503 3.960 -0.001 0.000 0.253 462 G HA3 0.544 4.503 3.960 -0.001 0.000 0.253 462 G C -0.353 174.461 174.900 -0.143 0.000 1.439 462 G CA -0.025 45.034 45.100 -0.068 0.000 1.056 462 G HN 0.649 nan 8.290 nan 0.000 0.555 463 T N -3.656 110.831 114.554 -0.111 0.000 2.903 463 T HA 0.727 5.077 4.350 -0.001 0.000 0.299 463 T C -0.273 174.357 174.700 -0.117 0.000 1.093 463 T CA 0.058 62.077 62.100 -0.135 0.000 1.002 463 T CB 1.712 70.538 68.868 -0.070 0.000 1.127 463 T HN 1.217 nan 8.240 nan 0.000 0.488 464 A N 0.916 123.654 122.820 -0.137 0.000 2.261 464 A HA 0.823 5.142 4.320 -0.001 0.000 0.323 464 A C 1.242 178.856 177.584 0.050 0.000 1.107 464 A CA -0.123 51.901 52.037 -0.021 0.000 0.883 464 A CB 0.902 19.900 19.000 -0.005 0.000 1.251 464 A HN 1.487 nan 8.150 nan 0.000 0.502 465 T N -3.895 110.714 114.554 0.092 0.000 3.004 465 T HA 0.542 4.892 4.350 -0.001 0.000 0.266 465 T C 0.577 175.340 174.700 0.105 0.000 0.986 465 T CA 0.849 62.998 62.100 0.081 0.000 0.902 465 T CB -0.023 68.879 68.868 0.058 0.000 1.118 465 T HN 2.009 nan 8.240 nan 0.000 0.522 466 G N 1.602 110.492 108.800 0.150 0.000 2.430 466 G HA2 0.586 4.546 3.960 -0.001 0.000 0.300 466 G HA3 0.586 4.546 3.960 -0.001 0.000 0.300 466 G C -3.527 171.485 174.900 0.187 0.000 1.330 466 G CA -0.952 44.236 45.100 0.146 0.000 0.813 466 G HN 0.070 nan 8.290 nan 0.000 0.487 467 P HA 0.479 nan 4.420 nan 0.000 0.290 467 P C 0.429 177.756 177.300 0.044 0.000 1.275 467 P CA -0.377 62.749 63.100 0.043 0.000 0.841 467 P CB 1.867 33.579 31.700 0.021 0.000 1.042 468 V N 0.155 120.075 119.914 0.011 0.000 3.139 468 V HA 0.168 4.287 4.120 -0.001 0.000 0.307 468 V C 0.790 176.899 176.094 0.026 0.000 1.095 468 V CA -0.527 61.793 62.300 0.034 0.000 1.160 468 V CB -0.480 31.357 31.823 0.024 0.000 1.003 468 V HN 0.522 nan 8.190 nan 0.000 0.489 469 K N 1.786 122.206 120.400 0.034 0.000 2.383 469 K HA 0.438 4.758 4.320 -0.001 0.000 0.286 469 K C 0.392 177.013 176.600 0.035 0.000 1.051 469 K CA 0.358 56.666 56.287 0.034 0.000 0.974 469 K CB 0.248 32.774 32.500 0.042 0.000 0.968 469 K HN 1.087 nan 8.250 nan 0.000 0.475 470 G N 1.918 110.728 108.800 0.016 0.000 2.552 470 G HA2 0.129 4.089 3.960 -0.001 0.000 0.318 470 G HA3 0.129 4.089 3.960 -0.001 0.000 0.318 470 G C 0.571 175.414 174.900 -0.096 0.000 1.240 470 G CA -0.513 44.587 45.100 -0.001 0.000 1.002 470 G HN 0.645 nan 8.290 nan 0.000 0.493 471 T N -0.576 113.857 114.554 -0.202 0.000 2.698 471 T HA -0.085 4.265 4.350 -0.001 0.000 0.260 471 T C 1.706 175.910 174.700 -0.826 0.000 1.044 471 T CA 1.510 63.256 62.100 -0.589 0.000 1.149 471 T CB -0.128 68.259 68.868 -0.801 0.000 0.864 471 T HN 0.615 nan 8.240 nan 0.000 0.419 472 W N 1.851 123.178 121.300 0.045 0.000 2.792 472 W HA 0.293 4.953 4.660 -0.001 0.000 0.262 472 W C 0.813 177.360 176.519 0.047 0.000 1.212 472 W CA -0.503 56.872 57.345 0.050 0.000 1.433 472 W CB 0.630 30.128 29.460 0.064 0.000 1.004 472 W HN 0.262 nan 8.180 nan 0.000 0.608 473 E N -0.031 120.289 120.200 0.200 0.000 2.392 473 E HA 0.228 4.578 4.350 -0.001 0.000 0.279 473 E C -1.046 175.600 176.600 0.077 0.000 0.964 473 E CA -0.878 55.599 56.400 0.128 0.000 0.777 473 E CB 0.645 30.430 29.700 0.142 0.000 1.249 473 E HN -0.103 nan 8.360 nan 0.000 0.449 474 N N 0.167 118.901 118.700 0.057 0.000 2.353 474 N HA 0.107 4.846 4.740 -0.001 0.000 0.248 474 N C 0.854 176.381 175.510 0.029 0.000 1.240 474 N CA 1.668 54.742 53.050 0.039 0.000 0.862 474 N CB 0.399 38.911 38.487 0.042 0.000 1.086 474 N HN 0.890 nan 8.380 nan 0.000 0.453 475 G N 1.685 110.486 108.800 0.002 0.000 2.205 475 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.261 475 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.261 475 G C 0.022 174.908 174.900 -0.022 0.000 0.980 475 G CA 0.032 45.101 45.100 -0.053 0.000 0.632 475 G HN 0.555 nan 8.290 nan 0.000 0.533 476 I N 0.415 121.011 120.570 0.044 0.000 2.545 476 I HA 0.600 4.770 4.170 -0.001 0.000 0.292 476 I C -0.324 175.865 176.117 0.120 0.000 1.040 476 I CA -1.309 60.060 61.300 0.115 0.000 1.068 476 I CB 2.448 40.520 38.000 0.119 0.000 1.251 476 I HN -0.084 nan 8.210 nan 0.000 0.424 477 V N 3.596 123.612 119.914 0.170 0.000 2.588 477 V HA 0.336 4.456 4.120 -0.001 0.000 0.304 477 V C -0.689 175.497 176.094 0.153 0.000 1.042 477 V CA -0.861 61.509 62.300 0.116 0.000 0.877 477 V CB 1.985 33.874 31.823 0.110 0.000 0.996 477 V HN 0.567 nan 8.190 nan 0.000 0.425 478 D N 1.621 122.070 120.400 0.082 0.000 2.424 478 D HA 0.074 4.714 4.640 -0.001 0.000 0.244 478 D C 0.652 176.967 176.300 0.026 0.000 1.134 478 D CA 0.098 54.174 54.000 0.126 0.000 0.881 478 D CB 0.738 41.602 40.800 0.107 0.000 1.191 478 D HN 0.646 nan 8.370 nan 0.000 0.445 479 Y N 3.783 124.088 120.300 0.009 0.000 2.151 479 Y HA -0.301 4.249 4.550 -0.001 0.000 0.284 479 Y C 2.320 178.152 175.900 -0.113 0.000 1.166 479 Y CA 2.057 60.124 58.100 -0.055 0.000 1.163 479 Y CB 0.036 38.504 38.460 0.014 0.000 0.974 479 Y HN 0.425 nan 8.280 nan 0.000 0.511 480 R N 0.318 120.699 120.500 -0.199 0.000 2.113 480 R HA -0.303 4.036 4.340 -0.001 0.000 0.244 480 R C 2.463 178.524 176.300 -0.398 0.000 1.142 480 R CA 2.339 58.289 56.100 -0.250 0.000 0.953 480 R CB -0.516 29.752 30.300 -0.053 0.000 0.860 480 R HN 0.660 nan 8.270 nan 0.000 0.438 481 Q N 0.146 119.710 119.800 -0.393 0.000 2.187 481 Q HA -0.078 4.262 4.340 -0.001 0.000 0.199 481 Q C 2.094 177.586 176.000 -0.847 0.000 0.957 481 Q CA 1.090 56.568 55.803 -0.542 0.000 0.857 481 Q CB 0.024 28.489 28.738 -0.455 0.000 0.929 481 Q HN 0.481 nan 8.270 nan 0.000 0.453 482 I N 0.983 121.107 120.570 -0.743 0.000 2.142 482 I HA -0.247 3.922 4.170 -0.001 0.000 0.240 482 I C 2.513 178.194 176.117 -0.725 0.000 1.078 482 I CA 1.119 61.973 61.300 -0.744 0.000 1.343 482 I CB -0.475 37.087 38.000 -0.730 0.000 1.046 482 I HN 0.267 nan 8.210 nan 0.000 0.405 483 A N 0.877 123.201 122.820 -0.826 0.000 1.902 483 A HA -0.121 4.198 4.320 -0.001 0.000 0.217 483 A C 2.412 179.742 177.584 -0.424 0.000 1.181 483 A CA 1.999 53.657 52.037 -0.631 0.000 0.623 483 A CB -1.390 17.142 19.000 -0.781 0.000 0.818 483 A HN 0.481 nan 8.150 nan 0.000 0.443 484 G N -1.659 106.866 108.800 -0.458 0.000 2.408 484 G HA2 -0.043 3.917 3.960 -0.001 0.000 0.215 484 G HA3 -0.043 3.917 3.960 -0.001 0.000 0.215 484 G C 1.553 176.235 174.900 -0.363 0.000 1.156 484 G CA 0.982 45.871 45.100 -0.351 0.000 0.793 484 G HN 0.595 nan 8.290 nan 0.000 0.535 485 Q N -1.371 118.088 119.800 -0.569 0.000 2.322 485 Q HA 0.227 4.567 4.340 -0.001 0.000 0.250 485 Q C 0.636 176.441 176.000 -0.325 0.000 0.853 485 Q CA -0.138 55.364 55.803 -0.500 0.000 0.951 485 Q CB 0.653 28.901 28.738 -0.816 0.000 1.114 485 Q HN 0.438 nan 8.270 nan 0.000 0.523 486 F N 0.075 119.726 119.950 -0.498 0.000 2.668 486 F HA 0.334 4.860 4.527 -0.001 0.000 0.297 486 F C 0.563 176.100 175.800 -0.439 0.000 1.124 486 F CA 0.090 57.548 58.000 -0.903 0.000 1.353 486 F CB 0.378 38.556 39.000 -1.370 0.000 0.992 486 F HN -0.024 nan 8.300 nan 0.000 0.524 487 M N 0.571 120.138 119.600 -0.055 0.000 3.075 487 M HA 0.348 4.828 4.480 -0.001 0.000 0.340 487 M C -0.192 176.148 176.300 0.066 0.000 1.329 487 M CA 0.014 55.338 55.300 0.041 0.000 0.778 487 M CB 0.278 32.864 32.600 -0.024 0.000 1.389 487 M HN 0.096 nan 8.290 nan 0.000 0.499 488 S N -1.560 114.231 115.700 0.153 0.000 2.643 488 S HA 0.844 5.314 4.470 -0.001 0.000 0.266 488 S C 0.001 174.750 174.600 0.249 0.000 1.130 488 S CA 0.022 58.309 58.200 0.144 0.000 0.817 488 S CB 1.270 64.516 63.200 0.076 0.000 1.107 488 S HN 0.903 nan 8.310 nan 0.000 0.471 489 G N 1.466 110.368 108.800 0.170 0.000 2.528 489 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.262 489 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.262 489 G C 0.445 175.416 174.900 0.119 0.000 1.200 489 G CA 0.604 45.797 45.100 0.156 0.000 0.951 489 G HN 1.194 nan 8.290 nan 0.000 0.566 490 E N -0.180 120.034 120.200 0.024 0.000 2.427 490 E HA 0.016 4.365 4.350 -0.001 0.000 0.196 490 E C 0.279 176.804 176.600 -0.124 0.000 1.028 490 E CA -0.224 56.108 56.400 -0.113 0.000 0.864 490 E CB 0.025 29.558 29.700 -0.278 0.000 0.813 490 E HN 0.395 nan 8.360 nan 0.000 0.514 491 W N 2.846 124.145 121.300 -0.001 0.000 2.565 491 W HA 0.033 4.693 4.660 -0.001 0.000 0.325 491 W C 0.363 176.930 176.519 0.081 0.000 1.408 491 W CA -0.350 57.010 57.345 0.026 0.000 1.350 491 W CB 0.225 29.730 29.460 0.075 0.000 1.426 491 W HN 0.005 nan 8.180 nan 0.000 0.538 492 Q N 2.509 122.477 119.800 0.280 0.000 2.312 492 Q HA 0.293 4.633 4.340 -0.001 0.000 0.236 492 Q C -1.117 175.079 176.000 0.326 0.000 0.965 492 Q CA -0.747 55.203 55.803 0.244 0.000 0.894 492 Q CB 1.402 30.249 28.738 0.182 0.000 1.225 492 Q HN 0.525 nan 8.270 nan 0.000 0.478 493 Y N -0.028 120.349 120.300 0.129 0.000 2.406 493 Y HA 0.407 4.957 4.550 -0.001 0.000 0.340 493 Y C -1.343 174.539 175.900 -0.031 0.000 0.975 493 Y CA -0.350 57.807 58.100 0.095 0.000 1.056 493 Y CB 2.168 40.717 38.460 0.149 0.000 1.210 493 Y HN 0.550 nan 8.280 nan 0.000 0.448 494 T N 6.209 120.261 114.554 -0.838 0.000 2.916 494 T HA 0.219 4.568 4.350 -0.001 0.000 0.298 494 T C -2.149 172.054 174.700 -0.829 0.000 1.031 494 T CA -0.517 61.169 62.100 -0.690 0.000 0.993 494 T CB 0.833 69.233 68.868 -0.780 0.000 1.045 494 T HN 0.495 nan 8.240 nan 0.000 0.454 495 Y N 3.277 123.342 120.300 -0.392 0.000 2.369 495 Y HA 0.386 4.936 4.550 -0.001 0.000 0.337 495 Y C -0.099 175.773 175.900 -0.047 0.000 0.961 495 Y CA -1.207 56.775 58.100 -0.198 0.000 1.186 495 Y CB 0.652 39.140 38.460 0.047 0.000 1.139 495 Y HN 0.527 nan 8.280 nan 0.000 0.494 496 D N 5.018 125.106 120.400 -0.520 0.000 2.338 496 D HA 0.156 4.796 4.640 -0.001 0.000 0.255 496 D C 0.412 176.490 176.300 -0.370 0.000 1.237 496 D CA 0.266 54.141 54.000 -0.208 0.000 0.883 496 D CB 1.399 42.215 40.800 0.027 0.000 1.087 496 D HN 0.745 nan 8.370 nan 0.000 0.485 497 A N 3.249 126.057 122.820 -0.020 0.000 2.238 497 A HA 0.034 4.354 4.320 -0.001 0.000 0.208 497 A C 1.754 179.359 177.584 0.036 0.000 1.177 497 A CA 0.417 52.522 52.037 0.114 0.000 0.804 497 A CB 0.078 19.230 19.000 0.254 0.000 0.823 497 A HN 0.585 nan 8.150 nan 0.000 0.482 498 T N -0.540 114.004 114.554 -0.017 0.000 2.953 498 T HA 0.179 4.528 4.350 -0.001 0.000 0.247 498 T C 2.270 176.914 174.700 -0.094 0.000 1.029 498 T CA 1.053 63.134 62.100 -0.032 0.000 1.144 498 T CB -0.147 68.708 68.868 -0.023 0.000 0.870 498 T HN 0.484 nan 8.240 nan 0.000 0.446 499 A N 0.598 123.329 122.820 -0.148 0.000 1.970 499 A HA 0.185 4.504 4.320 -0.001 0.000 0.216 499 A C 0.783 178.228 177.584 -0.231 0.000 1.170 499 A CA 0.917 52.830 52.037 -0.205 0.000 0.645 499 A CB -0.295 18.545 19.000 -0.266 0.000 0.816 499 A HN 0.541 nan 8.150 nan 0.000 0.447 500 E N -2.114 117.916 120.200 -0.282 0.000 2.346 500 E HA -0.028 4.322 4.350 -0.001 0.000 0.200 500 E C -0.474 175.889 176.600 -0.396 0.000 1.331 500 E CA 0.443 56.695 56.400 -0.247 0.000 0.668 500 E CB -1.557 28.135 29.700 -0.013 0.000 1.157 500 E HN 1.203 nan 8.360 nan 0.000 0.393 501 A N 1.735 124.062 122.820 -0.822 0.000 2.555 501 A HA 0.744 5.064 4.320 -0.001 0.000 0.297 501 A C -2.944 174.174 177.584 -0.777 0.000 1.060 501 A CA -1.163 50.442 52.037 -0.721 0.000 0.710 501 A CB 1.822 20.336 19.000 -0.810 0.000 1.282 501 A HN 0.048 nan 8.150 nan 0.000 0.399 502 P HA 0.724 nan 4.420 nan 0.000 0.283 502 P C -1.575 175.566 177.300 -0.265 0.000 1.271 502 P CA -0.232 62.582 63.100 -0.477 0.000 0.841 502 P CB 0.985 32.391 31.700 -0.489 0.000 1.122 503 Y N -1.690 118.462 120.300 -0.248 0.000 2.565 503 Y HA 0.553 5.102 4.550 -0.001 0.000 0.330 503 Y C -1.434 174.631 175.900 0.276 0.000 1.150 503 Y CA -1.618 56.601 58.100 0.198 0.000 1.055 503 Y CB 0.398 39.095 38.460 0.396 0.000 1.337 503 Y HN 0.326 nan 8.280 nan 0.000 0.457 504 V N 0.957 121.243 119.914 0.621 0.000 2.581 504 V HA 0.853 4.972 4.120 -0.001 0.000 0.303 504 V C -1.430 175.096 176.094 0.720 0.000 1.041 504 V CA -0.818 61.822 62.300 0.566 0.000 0.907 504 V CB 1.776 33.874 31.823 0.458 0.000 0.994 504 V HN 0.925 nan 8.190 nan 0.000 0.442 505 F N 3.419 123.631 119.950 0.437 0.000 2.581 505 F HA 0.705 5.231 4.527 -0.001 0.000 0.311 505 F C -0.546 175.209 175.800 -0.075 0.000 1.113 505 F CA -1.115 56.989 58.000 0.174 0.000 0.935 505 F CB 2.276 41.295 39.000 0.032 0.000 1.232 505 F HN 0.756 nan 8.300 nan 0.000 0.445 506 K N 7.900 127.583 120.400 -1.194 0.000 2.527 506 K HA 0.486 4.806 4.320 -0.001 0.000 0.240 506 K C -2.465 173.367 176.600 -1.280 0.000 0.989 506 K CA -1.775 53.735 56.287 -1.295 0.000 0.985 506 K CB 1.656 33.028 32.500 -1.879 0.000 1.221 506 K HN 0.237 nan 8.250 nan 0.000 0.458 507 P HA -0.296 nan 4.420 nan 0.000 0.216 507 P C 1.107 178.173 177.300 -0.389 0.000 1.157 507 P CA 1.723 64.426 63.100 -0.663 0.000 0.880 507 P CB 0.183 31.752 31.700 -0.220 0.000 0.791 508 S N -0.737 114.751 115.700 -0.353 0.000 2.359 508 S HA -0.226 4.244 4.470 -0.001 0.000 0.222 508 S C 1.974 176.440 174.600 -0.224 0.000 1.038 508 S CA 2.615 60.672 58.200 -0.238 0.000 1.051 508 S CB -2.216 60.851 63.200 -0.221 0.000 0.944 508 S HN 0.343 nan 8.310 nan 0.000 0.433 509 T N -2.956 111.415 114.554 -0.305 0.000 3.065 509 T HA 0.488 4.838 4.350 -0.001 0.000 0.252 509 T C 1.618 176.205 174.700 -0.187 0.000 1.099 509 T CA 0.725 62.693 62.100 -0.220 0.000 1.063 509 T CB -0.285 68.442 68.868 -0.234 0.000 0.948 509 T HN 1.467 nan 8.240 nan 0.000 0.506 510 G N 1.733 110.354 108.800 -0.298 0.000 2.143 510 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.248 510 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.248 510 G C -0.374 174.491 174.900 -0.059 0.000 0.991 510 G CA -0.020 45.002 45.100 -0.130 0.000 0.689 510 G HN 0.598 nan 8.290 nan 0.000 0.522 511 D N 0.021 120.274 120.400 -0.246 0.000 2.417 511 D HA 0.370 5.009 4.640 -0.001 0.000 0.250 511 D C 0.175 176.579 176.300 0.174 0.000 1.166 511 D CA 0.461 54.439 54.000 -0.037 0.000 0.881 511 D CB 1.738 42.486 40.800 -0.087 0.000 1.164 511 D HN 0.295 nan 8.370 nan 0.000 0.467 512 L N 4.066 125.527 121.223 0.396 0.000 2.409 512 L HA 0.502 4.842 4.340 -0.001 0.000 0.272 512 L C -1.367 175.777 176.870 0.457 0.000 0.980 512 L CA -0.493 54.652 54.840 0.508 0.000 0.826 512 L CB 1.617 43.858 42.059 0.303 0.000 1.268 512 L HN 0.263 nan 8.230 nan 0.000 0.407 513 I N 3.584 124.436 120.570 0.469 0.000 2.498 513 I HA 0.464 4.634 4.170 -0.001 0.000 0.290 513 I C -0.520 175.976 176.117 0.631 0.000 1.032 513 I CA -0.518 61.030 61.300 0.412 0.000 1.073 513 I CB 2.404 40.537 38.000 0.222 0.000 1.251 513 I HN 0.572 nan 8.210 nan 0.000 0.426 514 T N 5.433 120.327 114.554 0.567 0.000 2.795 514 T HA 0.753 5.102 4.350 -0.001 0.000 0.282 514 T C -0.521 174.469 174.700 0.484 0.000 0.980 514 T CA -0.513 61.923 62.100 0.560 0.000 1.012 514 T CB 0.946 70.079 68.868 0.442 0.000 0.936 514 T HN 0.467 nan 8.240 nan 0.000 0.457 515 F N -0.984 119.077 119.950 0.185 0.000 2.985 515 F HA 0.777 5.304 4.527 -0.001 0.000 0.322 515 F C -1.585 174.250 175.800 0.060 0.000 1.187 515 F CA -1.479 56.566 58.000 0.076 0.000 0.910 515 F CB 0.722 39.812 39.000 0.150 0.000 1.411 515 F HN 0.243 nan 8.300 nan 0.000 0.492 516 D N 0.709 121.165 120.400 0.093 0.000 2.198 516 D HA 0.421 5.060 4.640 -0.001 0.000 0.247 516 D C -1.272 175.080 176.300 0.086 0.000 1.010 516 D CA 0.175 54.153 54.000 -0.036 0.000 0.880 516 D CB 1.858 42.620 40.800 -0.064 0.000 1.209 516 D HN 0.726 nan 8.370 nan 0.000 0.451 517 D N -0.840 119.586 120.400 0.043 0.000 2.714 517 D HA 0.399 5.039 4.640 -0.001 0.000 0.278 517 D C 0.460 176.779 176.300 0.032 0.000 1.102 517 D CA -0.671 53.416 54.000 0.145 0.000 1.108 517 D CB 0.566 41.608 40.800 0.403 0.000 1.444 517 D HN 0.208 nan 8.370 nan 0.000 0.568 518 A N -0.196 122.644 122.820 0.034 0.000 2.019 518 A HA -0.162 4.158 4.320 -0.001 0.000 0.219 518 A C 2.155 179.737 177.584 -0.004 0.000 1.164 518 A CA 1.812 53.846 52.037 -0.005 0.000 0.644 518 A CB -0.704 18.302 19.000 0.009 0.000 0.805 518 A HN 0.573 nan 8.150 nan 0.000 0.449 519 R N 0.117 120.615 120.500 -0.003 0.000 2.093 519 R HA -0.094 4.245 4.340 -0.001 0.000 0.224 519 R C 2.423 178.744 176.300 0.034 0.000 1.101 519 R CA 1.617 57.665 56.100 -0.087 0.000 0.979 519 R CB -0.185 29.876 30.300 -0.399 0.000 0.877 519 R HN 0.660 nan 8.270 nan 0.000 0.441 520 S N -0.331 115.469 115.700 0.166 0.000 2.383 520 S HA -0.077 4.393 4.470 -0.001 0.000 0.227 520 S C 2.033 176.669 174.600 0.060 0.000 1.026 520 S CA 1.127 59.424 58.200 0.163 0.000 0.981 520 S CB -0.472 62.785 63.200 0.095 0.000 0.818 520 S HN 0.111 nan 8.310 nan 0.000 0.472 521 V N 2.271 122.200 119.914 0.024 0.000 2.332 521 V HA -0.178 3.941 4.120 -0.001 0.000 0.248 521 V C 3.031 179.132 176.094 0.013 0.000 1.055 521 V CA 1.844 64.144 62.300 -0.001 0.000 1.038 521 V CB -0.824 30.976 31.823 -0.038 0.000 0.651 521 V HN 0.472 nan 8.190 nan 0.000 0.450 522 Q N -0.134 119.673 119.800 0.012 0.000 2.050 522 Q HA -0.175 4.164 4.340 -0.001 0.000 0.202 522 Q C 2.500 178.524 176.000 0.041 0.000 0.980 522 Q CA 1.977 57.789 55.803 0.015 0.000 0.840 522 Q CB -0.725 28.013 28.738 0.000 0.000 0.898 522 Q HN 0.649 nan 8.270 nan 0.000 0.424 523 A N 1.590 124.443 122.820 0.055 0.000 1.883 523 A HA -0.244 4.075 4.320 -0.001 0.000 0.217 523 A C 2.142 179.780 177.584 0.089 0.000 1.186 523 A CA 1.940 54.021 52.037 0.073 0.000 0.624 523 A CB -0.442 18.610 19.000 0.086 0.000 0.822 523 A HN 0.292 nan 8.150 nan 0.000 0.444 524 K N -0.980 119.465 120.400 0.075 0.000 2.026 524 K HA -0.094 4.226 4.320 -0.001 0.000 0.208 524 K C 2.179 178.867 176.600 0.146 0.000 1.048 524 K CA 1.155 57.508 56.287 0.110 0.000 0.929 524 K CB -0.537 32.004 32.500 0.069 0.000 0.713 524 K HN 0.474 nan 8.250 nan 0.000 0.439 525 G N 2.010 110.863 108.800 0.088 0.000 2.440 525 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.218 525 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.218 525 G C 1.221 176.167 174.900 0.076 0.000 1.154 525 G CA 0.996 46.136 45.100 0.068 0.000 0.767 525 G HN 0.275 nan 8.290 nan 0.000 0.552 526 K N -0.713 119.739 120.400 0.087 0.000 2.097 526 K HA -0.058 4.262 4.320 -0.001 0.000 0.205 526 K C 2.216 178.885 176.600 0.115 0.000 1.050 526 K CA 1.080 57.417 56.287 0.083 0.000 0.938 526 K CB -0.368 32.180 32.500 0.081 0.000 0.718 526 K HN 0.369 nan 8.250 nan 0.000 0.442 527 Y N 2.022 122.336 120.300 0.023 0.000 2.165 527 Y HA -0.260 4.290 4.550 -0.001 0.000 0.286 527 Y C 2.041 177.956 175.900 0.025 0.000 1.155 527 Y CA 1.117 59.231 58.100 0.024 0.000 1.164 527 Y CB -0.334 38.142 38.460 0.027 0.000 0.978 527 Y HN -0.238 nan 8.280 nan 0.000 0.513 528 V N 0.512 120.443 119.914 0.028 0.000 2.343 528 V HA -0.338 3.782 4.120 -0.001 0.000 0.247 528 V C 2.478 178.527 176.094 -0.076 0.000 1.051 528 V CA 2.109 64.374 62.300 -0.058 0.000 1.036 528 V CB -0.751 31.098 31.823 0.044 0.000 0.654 528 V HN 0.457 nan 8.190 nan 0.000 0.451 529 L N -0.446 120.763 121.223 -0.025 0.000 2.017 529 L HA -0.180 4.160 4.340 -0.001 0.000 0.208 529 L C 2.433 179.277 176.870 -0.044 0.000 1.073 529 L CA 1.728 56.556 54.840 -0.019 0.000 0.745 529 L CB -0.896 41.167 42.059 0.007 0.000 0.894 529 L HN 0.326 nan 8.230 nan 0.000 0.432 530 D N 0.339 120.709 120.400 -0.051 0.000 2.104 530 D HA -0.156 4.484 4.640 -0.001 0.000 0.194 530 D C 2.052 178.285 176.300 -0.112 0.000 0.994 530 D CA 1.255 55.221 54.000 -0.058 0.000 0.830 530 D CB -0.110 40.675 40.800 -0.023 0.000 0.959 530 D HN 0.220 nan 8.370 nan 0.000 0.452 531 K N 0.162 120.425 120.400 -0.228 0.000 2.459 531 K HA 0.020 4.340 4.320 -0.001 0.000 0.193 531 K C 0.395 176.895 176.600 -0.166 0.000 1.030 531 K CA 0.027 56.160 56.287 -0.258 0.000 1.026 531 K CB 0.425 32.601 32.500 -0.540 0.000 0.809 531 K HN 0.090 nan 8.250 nan 0.000 0.504 532 Q N 0.247 119.974 119.800 -0.122 0.000 2.502 532 Q HA -0.132 4.207 4.340 -0.001 0.000 0.273 532 Q C -0.652 175.309 176.000 -0.064 0.000 1.127 532 Q CA 0.194 55.955 55.803 -0.070 0.000 0.952 532 Q CB -1.648 27.058 28.738 -0.052 0.000 1.333 532 Q HN 0.274 nan 8.270 nan 0.000 0.494 533 L N -2.151 119.021 121.223 -0.085 0.000 2.470 533 L HA 0.299 4.639 4.340 -0.001 0.000 0.243 533 L C 1.892 178.760 176.870 -0.003 0.000 1.227 533 L CA 0.472 55.284 54.840 -0.046 0.000 0.824 533 L CB 0.058 42.082 42.059 -0.059 0.000 1.175 533 L HN 0.312 nan 8.230 nan 0.000 0.503 534 G N -1.195 107.618 108.800 0.021 0.000 2.464 534 G HA2 0.388 4.347 3.960 -0.001 0.000 0.217 534 G HA3 0.388 4.347 3.960 -0.001 0.000 0.217 534 G C 0.505 175.432 174.900 0.046 0.000 1.138 534 G CA 0.727 45.852 45.100 0.042 0.000 0.793 534 G HN 0.945 nan 8.290 nan 0.000 0.539 535 G N -1.354 107.485 108.800 0.065 0.000 2.351 535 G HA2 0.361 4.321 3.960 -0.001 0.000 0.279 535 G HA3 0.361 4.321 3.960 -0.001 0.000 0.279 535 G C -1.833 173.150 174.900 0.138 0.000 1.297 535 G CA -0.883 44.266 45.100 0.082 0.000 0.886 535 G HN 0.378 nan 8.290 nan 0.000 0.493 536 L N 0.015 121.333 121.223 0.159 0.000 2.371 536 L HA 0.874 5.214 4.340 -0.001 0.000 0.262 536 L C -0.607 176.432 176.870 0.281 0.000 1.006 536 L CA -0.982 53.969 54.840 0.185 0.000 0.818 536 L CB 2.255 44.365 42.059 0.085 0.000 1.354 536 L HN 0.838 nan 8.230 nan 0.000 0.415 537 F N 0.046 120.105 119.950 0.181 0.000 2.629 537 F HA 0.902 5.429 4.527 -0.001 0.000 0.316 537 F C -0.628 175.304 175.800 0.221 0.000 1.081 537 F CA -0.681 57.421 58.000 0.171 0.000 0.954 537 F CB 1.893 40.993 39.000 0.166 0.000 1.337 537 F HN 0.453 nan 8.300 nan 0.000 0.474 538 S N 1.302 117.048 115.700 0.078 0.000 2.618 538 S HA 0.600 5.069 4.470 -0.001 0.000 0.277 538 S C -2.153 172.627 174.600 0.299 0.000 1.138 538 S CA -0.644 57.572 58.200 0.027 0.000 0.844 538 S CB 2.144 65.349 63.200 0.009 0.000 1.127 538 S HN 1.216 nan 8.310 nan 0.000 0.474 539 W N 2.692 123.999 121.300 0.013 0.000 2.619 539 W HA 0.510 5.170 4.660 -0.001 0.000 0.327 539 W C -1.474 175.042 176.519 -0.004 0.000 1.027 539 W CA -0.483 56.855 57.345 -0.011 0.000 1.233 539 W CB 1.606 30.897 29.460 -0.282 0.000 1.370 539 W HN 1.067 nan 8.180 nan 0.000 0.453 540 E N 3.712 123.601 120.200 -0.517 0.000 2.266 540 E HA 0.286 4.636 4.350 -0.001 0.000 0.268 540 E C 0.802 177.104 176.600 -0.496 0.000 0.879 540 E CA -0.754 55.106 56.400 -0.900 0.000 0.762 540 E CB 1.933 30.682 29.700 -1.584 0.000 1.199 540 E HN 0.250 nan 8.360 nan 0.000 0.422 541 I N 0.350 120.690 120.570 -0.382 0.000 2.335 541 I HA -0.226 3.944 4.170 -0.001 0.000 0.251 541 I C 1.639 177.377 176.117 -0.632 0.000 1.129 541 I CA 1.776 62.889 61.300 -0.312 0.000 1.402 541 I CB -1.330 36.620 38.000 -0.084 0.000 1.069 541 I HN 0.729 nan 8.210 nan 0.000 0.424 542 D N 1.835 121.584 120.400 -1.085 0.000 2.221 542 D HA -0.181 4.459 4.640 -0.001 0.000 0.204 542 D C 1.974 177.874 176.300 -0.666 0.000 0.982 542 D CA 1.344 54.364 54.000 -1.633 0.000 0.857 542 D CB -0.273 39.743 40.800 -1.306 0.000 0.934 542 D HN 0.457 nan 8.370 nan 0.000 0.475 543 A N -0.165 122.444 122.820 -0.351 0.000 2.119 543 A HA 0.027 4.347 4.320 -0.001 0.000 0.216 543 A C 1.033 178.644 177.584 0.045 0.000 1.152 543 A CA 0.493 52.492 52.037 -0.062 0.000 0.708 543 A CB -0.289 18.727 19.000 0.027 0.000 0.805 543 A HN 0.265 nan 8.150 nan 0.000 0.460 544 D N -0.318 120.092 120.400 0.015 0.000 2.329 544 D HA 0.179 4.819 4.640 -0.001 0.000 0.246 544 D C 0.778 177.179 176.300 0.168 0.000 1.111 544 D CA 0.116 54.200 54.000 0.139 0.000 0.941 544 D CB 0.597 41.425 40.800 0.045 0.000 1.169 544 D HN 0.263 nan 8.370 nan 0.000 0.441 545 N N 1.321 120.172 118.700 0.253 0.000 2.205 545 N HA 0.184 4.923 4.740 -0.001 0.000 0.201 545 N C 1.110 176.710 175.510 0.151 0.000 1.128 545 N CA 0.551 53.704 53.050 0.173 0.000 0.867 545 N CB 0.991 39.556 38.487 0.130 0.000 0.996 545 N HN 0.555 nan 8.380 nan 0.000 0.503 546 G N 0.079 108.965 108.800 0.143 0.000 2.380 546 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.197 546 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.197 546 G C 0.544 175.494 174.900 0.083 0.000 1.001 546 G CA 0.245 45.410 45.100 0.108 0.000 0.668 546 G HN 0.240 nan 8.290 nan 0.000 0.483 547 D N 0.996 121.456 120.400 0.100 0.000 2.123 547 D HA -0.069 4.570 4.640 -0.001 0.000 0.196 547 D C 2.612 178.864 176.300 -0.080 0.000 0.992 547 D CA 1.295 55.322 54.000 0.044 0.000 0.833 547 D CB -0.031 40.851 40.800 0.138 0.000 0.954 547 D HN 0.396 nan 8.370 nan 0.000 0.455 548 I N 0.453 120.912 120.570 -0.186 0.000 2.163 548 I HA -0.163 4.006 4.170 -0.001 0.000 0.240 548 I C 2.487 178.542 176.117 -0.104 0.000 1.081 548 I CA 0.541 61.717 61.300 -0.207 0.000 1.353 548 I CB -1.221 36.613 38.000 -0.277 0.000 1.054 548 I HN 0.036 nan 8.210 nan 0.000 0.407 549 L N 1.604 122.792 121.223 -0.058 0.000 2.046 549 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 549 L C 2.207 179.026 176.870 -0.085 0.000 1.077 549 L CA 1.785 56.598 54.840 -0.045 0.000 0.747 549 L CB -0.977 41.083 42.059 0.002 0.000 0.896 549 L HN 0.203 nan 8.230 nan 0.000 0.432 550 N N -0.850 117.833 118.700 -0.028 0.000 2.036 550 N HA -0.219 4.521 4.740 -0.001 0.000 0.195 550 N C 2.102 177.517 175.510 -0.157 0.000 1.037 550 N CA 1.661 54.702 53.050 -0.015 0.000 0.855 550 N CB -0.684 37.886 38.487 0.139 0.000 1.033 550 N HN 0.414 nan 8.380 nan 0.000 0.423 551 S N 0.236 115.885 115.700 -0.086 0.000 2.368 551 S HA -0.007 4.462 4.470 -0.001 0.000 0.225 551 S C 1.981 176.513 174.600 -0.113 0.000 1.030 551 S CA 0.863 59.014 58.200 -0.082 0.000 0.999 551 S CB -0.079 63.089 63.200 -0.054 0.000 0.844 551 S HN 0.209 nan 8.310 nan 0.000 0.459 552 M N 1.322 120.849 119.600 -0.121 0.000 2.065 552 M HA -0.125 4.354 4.480 -0.001 0.000 0.259 552 M C 2.212 178.417 176.300 -0.158 0.000 1.069 552 M CA 1.549 56.788 55.300 -0.102 0.000 1.110 552 M CB -0.575 31.982 32.600 -0.071 0.000 1.328 552 M HN 0.349 nan 8.290 nan 0.000 0.405 553 N N 0.407 118.923 118.700 -0.307 0.000 2.058 553 N HA -0.131 4.609 4.740 -0.001 0.000 0.191 553 N C 1.748 177.000 175.510 -0.430 0.000 1.037 553 N CA 1.819 54.577 53.050 -0.487 0.000 0.848 553 N CB -0.261 37.570 38.487 -1.093 0.000 1.021 553 N HN 0.330 nan 8.380 nan 0.000 0.422 554 A N 1.204 123.751 122.820 -0.455 0.000 1.865 554 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 554 A C 2.443 179.994 177.584 -0.054 0.000 1.191 554 A CA 2.450 54.402 52.037 -0.142 0.000 0.623 554 A CB -1.003 17.980 19.000 -0.028 0.000 0.826 554 A HN 0.499 nan 8.150 nan 0.000 0.444 555 S N -0.278 115.386 115.700 -0.060 0.000 2.419 555 S HA -0.042 4.427 4.470 -0.001 0.000 0.233 555 S C 1.647 176.243 174.600 -0.006 0.000 1.016 555 S CA 1.476 59.666 58.200 -0.017 0.000 0.974 555 S CB -0.565 62.630 63.200 -0.010 0.000 0.786 555 S HN 0.435 nan 8.310 nan 0.000 0.492 556 L N 0.678 121.888 121.223 -0.021 0.000 2.558 556 L HA 0.320 4.659 4.340 -0.001 0.000 0.225 556 L C 1.728 178.604 176.870 0.010 0.000 1.128 556 L CA 0.384 55.224 54.840 -0.000 0.000 0.868 556 L CB -0.479 41.579 42.059 -0.001 0.000 1.006 556 L HN 0.618 nan 8.230 nan 0.000 0.454 557 G N 0.438 109.244 108.800 0.011 0.000 2.140 557 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.211 557 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.211 557 G C -0.123 174.811 174.900 0.056 0.000 1.013 557 G CA -0.350 44.771 45.100 0.035 0.000 0.705 557 G HN 0.462 nan 8.290 nan 0.000 0.508 558 N N 0.513 119.247 118.700 0.055 0.000 2.530 558 N HA 0.450 5.190 4.740 -0.001 0.000 0.273 558 N C 0.364 176.014 175.510 0.233 0.000 1.173 558 N CA 0.063 53.183 53.050 0.117 0.000 0.967 558 N CB 0.506 39.040 38.487 0.079 0.000 1.109 558 N HN 0.250 nan 8.380 nan 0.000 0.453 559 S N 1.140 116.958 115.700 0.196 0.000 2.565 559 S HA 0.320 4.789 4.470 -0.001 0.000 0.274 559 S C 0.134 174.812 174.600 0.131 0.000 1.309 559 S CA -0.997 57.294 58.200 0.151 0.000 1.043 559 S CB 1.421 64.664 63.200 0.072 0.000 0.939 559 S HN 0.633 nan 8.310 nan 0.000 0.504 560 A N 2.563 125.376 122.820 -0.013 0.000 2.488 560 A HA 0.564 4.884 4.320 -0.001 0.000 0.249 560 A C 0.829 178.298 177.584 -0.192 0.000 1.083 560 A CA -0.057 51.781 52.037 -0.332 0.000 0.768 560 A CB -0.346 18.500 19.000 -0.255 0.000 1.017 560 A HN 0.923 nan 8.150 nan 0.000 0.496 561 G N 0.000 108.662 108.800 -0.230 0.000 5.446 561 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 561 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 561 G CA 0.000 45.031 45.100 -0.116 0.000 0.502 561 G HN 0.000 nan 8.290 nan 0.000 0.925