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 1x6n_1_A DATA FIRST_RESID 24 DATA SEQUENCE AAPGKPTIAW GNTKFAIVEV DQAATAYNNL VKVKNAADVS VSWNLWNGDA DATA SEQUENCE GTTAKILLNG KEAWSGPSTG SSGTANFKVN KGGRYQMQVA LcNADGcTAS DATA SEQUENCE DATEIVVADT DGSHLPPLKE SLLEKNKPYK QNSGKVVGSY FVEAGVYGRN 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 AMLDQLSAET GRKYELTSAI SAGKDKIDKV DATA SEQUENCE AYNVAQNSMD HIFLMSYDFY GAFDLKNLGH QTALNAPAWK PDTAYTTVNG DATA SEQUENCE VNALLAQGVK PGKIVVGTAM YGRGWTGVNG YQNNIPFTGT ATGPVKGTWE DATA SEQUENCE NGIVDYRQIA SQFMSGEWQY TYDATAEAPY VFKPSTGDLI TFDDARSVQA DATA SEQUENCE KGKYVLDKQL GGLFSWEIDA DNGDILNSMN ASLGNSAGV 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 0.000 177.582 177.584 -0.004 0.000 1.274 24 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 24 A CB 0.000 19.001 19.000 0.002 0.000 0.831 25 A N 0.903 123.719 122.820 -0.006 0.000 2.429 25 A HA 0.646 4.967 4.320 0.001 0.000 0.242 25 A C -2.262 175.318 177.584 -0.008 0.000 1.088 25 A CA -0.629 51.402 52.037 -0.011 0.000 0.784 25 A CB -0.881 18.111 19.000 -0.014 0.000 1.038 25 A HN 0.562 nan 8.150 nan 0.000 0.501 26 P HA 0.277 nan 4.420 nan 0.000 0.271 26 P C 0.581 177.878 177.300 -0.007 0.000 1.233 26 P CA 0.263 63.357 63.100 -0.010 0.000 0.789 26 P CB 0.368 32.055 31.700 -0.021 0.000 0.951 27 G N 0.517 109.318 108.800 0.001 0.000 2.684 27 G HA2 0.145 4.105 3.960 0.001 0.000 0.255 27 G HA3 0.145 4.105 3.960 0.001 0.000 0.255 27 G C -0.625 174.275 174.900 0.000 0.000 1.219 27 G CA -0.390 44.716 45.100 0.010 0.000 0.901 27 G HN 0.443 nan 8.290 nan 0.000 0.548 28 K N 1.515 121.924 120.400 0.015 0.000 2.262 28 K HA 0.283 4.604 4.320 0.001 0.000 0.282 28 K C -2.024 174.587 176.600 0.018 0.000 1.066 28 K CA -1.607 54.686 56.287 0.010 0.000 0.901 28 K CB 1.140 33.656 32.500 0.026 0.000 1.089 28 K HN 0.253 nan 8.250 nan 0.000 0.476 29 P HA 0.115 nan 4.420 nan 0.000 0.276 29 P C -0.968 176.369 177.300 0.061 0.000 1.244 29 P CA -0.406 62.701 63.100 0.010 0.000 0.801 29 P CB 1.198 32.864 31.700 -0.057 0.000 1.006 30 T N 2.200 116.820 114.554 0.110 0.000 2.792 30 T HA 0.419 4.770 4.350 0.001 0.000 0.280 30 T C 0.507 175.329 174.700 0.202 0.000 0.990 30 T CA -0.426 61.775 62.100 0.169 0.000 0.960 30 T CB 0.330 69.360 68.868 0.269 0.000 0.939 30 T HN 0.224 nan 8.240 nan 0.000 0.439 31 I N 3.028 123.706 120.570 0.180 0.000 2.618 31 I HA 0.284 4.455 4.170 0.001 0.000 0.284 31 I C 1.043 177.275 176.117 0.193 0.000 1.146 31 I CA -0.304 61.111 61.300 0.192 0.000 1.425 31 I CB 0.549 38.633 38.000 0.139 0.000 1.383 31 I HN 0.658 nan 8.210 nan 0.000 0.562 32 A N 7.007 129.938 122.820 0.186 0.000 2.351 32 A HA 0.121 4.441 4.320 0.001 0.000 0.257 32 A C -0.598 177.099 177.584 0.189 0.000 1.087 32 A CA -0.415 51.738 52.037 0.194 0.000 0.798 32 A CB 0.224 19.308 19.000 0.140 0.000 1.033 32 A HN 0.797 nan 8.150 nan 0.000 0.488 33 W N 1.754 123.103 121.300 0.083 0.000 2.231 33 W HA 0.421 5.081 4.660 0.001 0.000 0.341 33 W C 0.451 177.004 176.519 0.058 0.000 1.298 33 W CA 1.639 59.024 57.345 0.067 0.000 1.266 33 W CB 0.202 29.697 29.460 0.058 0.000 1.172 33 W HN 1.171 nan 8.180 nan 0.000 0.568 34 G N 3.898 111.977 108.800 -1.201 0.000 2.358 34 G HA2 0.090 4.051 3.960 0.001 0.000 0.301 34 G HA3 0.090 4.051 3.960 0.001 0.000 0.301 34 G C -1.520 172.912 174.900 -0.780 0.000 1.539 34 G CA -1.282 43.105 45.100 -1.189 0.000 0.893 34 G HN 0.793 nan 8.290 nan 0.000 0.636 35 N N -0.580 117.746 118.700 -0.624 0.000 2.412 35 N HA 0.301 5.042 4.740 0.001 0.000 0.254 35 N C 1.404 176.685 175.510 -0.383 0.000 1.232 35 N CA 1.144 53.923 53.050 -0.452 0.000 0.880 35 N CB 0.937 39.166 38.487 -0.431 0.000 1.076 35 N HN 0.770 nan 8.380 nan 0.000 0.458 36 T N -0.848 113.484 114.554 -0.370 0.000 3.084 36 T HA 0.265 4.616 4.350 0.001 0.000 0.270 36 T C -0.087 174.395 174.700 -0.364 0.000 1.008 36 T CA -0.252 61.732 62.100 -0.194 0.000 0.900 36 T CB -0.139 68.693 68.868 -0.060 0.000 1.084 36 T HN 0.378 nan 8.240 nan 0.000 0.538 37 K N 1.284 121.240 120.400 -0.740 0.000 2.293 37 K HA 0.641 4.961 4.320 0.001 0.000 0.267 37 K C -1.467 174.561 176.600 -0.953 0.000 1.010 37 K CA -0.601 55.318 56.287 -0.613 0.000 0.875 37 K CB 1.142 33.378 32.500 -0.440 0.000 1.106 37 K HN 0.146 nan 8.250 nan 0.000 0.450 38 F N 0.808 120.657 119.950 -0.168 0.000 2.631 38 F HA 0.737 5.265 4.527 0.001 0.000 0.328 38 F C -0.117 175.567 175.800 -0.194 0.000 1.067 38 F CA -1.102 56.792 58.000 -0.175 0.000 0.969 38 F CB 1.897 40.797 39.000 -0.167 0.000 1.332 38 F HN 0.418 nan 8.300 nan 0.000 0.490 39 A N 0.854 123.684 122.820 0.016 0.000 2.486 39 A HA 0.684 5.005 4.320 0.001 0.000 0.300 39 A C -0.020 177.565 177.584 0.000 0.000 1.048 39 A CA -0.529 51.472 52.037 -0.060 0.000 0.696 39 A CB 0.956 19.871 19.000 -0.142 0.000 1.278 39 A HN 0.797 nan 8.150 nan 0.000 0.405 40 I N 0.745 121.324 120.570 0.015 0.000 2.400 40 I HA -0.027 4.144 4.170 0.001 0.000 0.248 40 I C 0.038 176.159 176.117 0.006 0.000 1.109 40 I CA 1.124 62.430 61.300 0.010 0.000 1.425 40 I CB 0.228 38.239 38.000 0.018 0.000 1.094 40 I HN 0.345 nan 8.210 nan 0.000 0.425 41 V N 2.509 122.454 119.914 0.052 0.000 2.334 41 V HA 0.206 4.327 4.120 0.001 0.000 0.281 41 V C -0.280 175.884 176.094 0.118 0.000 1.016 41 V CA -0.691 61.617 62.300 0.013 0.000 0.832 41 V CB 1.088 32.857 31.823 -0.090 0.000 0.999 41 V HN 0.171 nan 8.190 nan 0.000 0.439 42 E N 3.390 123.614 120.200 0.041 0.000 2.249 42 E HA 0.576 4.927 4.350 0.001 0.000 0.280 42 E C -1.088 175.565 176.600 0.089 0.000 1.016 42 E CA -0.517 55.917 56.400 0.056 0.000 0.830 42 E CB 2.430 32.133 29.700 0.005 0.000 1.081 42 E HN 0.409 nan 8.360 nan 0.000 0.395 43 V N 2.505 122.502 119.914 0.138 0.000 2.540 43 V HA 0.088 4.208 4.120 0.001 0.000 0.302 43 V C -0.398 175.753 176.094 0.094 0.000 1.035 43 V CA -0.833 61.567 62.300 0.166 0.000 0.873 43 V CB 1.957 33.977 31.823 0.327 0.000 0.992 43 V HN 0.645 nan 8.190 nan 0.000 0.428 44 D N 3.727 124.176 120.400 0.081 0.000 2.393 44 D HA 0.129 4.769 4.640 0.001 0.000 0.232 44 D C 1.018 177.372 176.300 0.089 0.000 1.192 44 D CA -0.163 53.877 54.000 0.066 0.000 0.882 44 D CB 1.345 42.175 40.800 0.051 0.000 1.038 44 D HN 0.430 nan 8.370 nan 0.000 0.499 45 Q N 2.315 122.167 119.800 0.087 0.000 2.515 45 Q HA -0.098 4.242 4.340 0.001 0.000 0.215 45 Q C 1.014 177.093 176.000 0.132 0.000 0.983 45 Q CA 0.628 56.496 55.803 0.109 0.000 0.905 45 Q CB 0.244 29.039 28.738 0.096 0.000 0.961 45 Q HN 0.619 nan 8.270 nan 0.000 0.503 46 A N -0.502 122.384 122.820 0.110 0.000 2.288 46 A HA 0.452 4.772 4.320 0.001 0.000 0.216 46 A C 0.952 178.593 177.584 0.096 0.000 1.199 46 A CA 0.329 52.429 52.037 0.106 0.000 0.891 46 A CB 0.260 19.311 19.000 0.084 0.000 0.923 46 A HN 0.206 nan 8.150 nan 0.000 0.500 47 A N 0.300 123.176 122.820 0.093 0.000 2.445 47 A HA 0.435 4.755 4.320 0.001 0.000 0.242 47 A C 1.310 178.957 177.584 0.105 0.000 1.075 47 A CA 0.804 52.892 52.037 0.085 0.000 0.777 47 A CB 0.052 19.095 19.000 0.072 0.000 1.013 47 A HN 0.733 nan 8.150 nan 0.000 0.493 48 T N -1.171 113.439 114.554 0.092 0.000 2.969 48 T HA 0.496 4.846 4.350 0.001 0.000 0.250 48 T C 0.631 175.400 174.700 0.115 0.000 1.021 48 T CA 0.607 62.769 62.100 0.102 0.000 1.003 48 T CB -0.056 68.856 68.868 0.072 0.000 1.040 48 T HN 1.265 nan 8.240 nan 0.000 0.492 49 A N 0.763 123.644 122.820 0.102 0.000 2.290 49 A HA 0.614 4.935 4.320 0.001 0.000 0.310 49 A C 0.574 178.252 177.584 0.157 0.000 1.202 49 A CA -0.757 51.351 52.037 0.118 0.000 0.837 49 A CB 0.310 19.358 19.000 0.079 0.000 1.139 49 A HN 0.324 nan 8.150 nan 0.000 0.509 50 Y N 2.958 123.313 120.300 0.093 0.000 2.207 50 Y HA -0.247 4.304 4.550 0.001 0.000 0.287 50 Y C 1.744 177.715 175.900 0.120 0.000 1.156 50 Y CA 2.599 60.778 58.100 0.132 0.000 1.182 50 Y CB -0.004 38.547 38.460 0.151 0.000 0.979 50 Y HN 0.768 nan 8.280 nan 0.000 0.521 51 N N 0.334 119.095 118.700 0.103 0.000 2.364 51 N HA -0.150 4.590 4.740 0.001 0.000 0.183 51 N C 0.778 176.263 175.510 -0.041 0.000 1.022 51 N CA 1.618 54.678 53.050 0.017 0.000 0.883 51 N CB -0.438 38.088 38.487 0.065 0.000 0.965 51 N HN 0.613 nan 8.380 nan 0.000 0.438 52 N N -0.644 118.044 118.700 -0.020 0.000 2.254 52 N HA 0.088 4.829 4.740 0.001 0.000 0.190 52 N C 1.256 176.752 175.510 -0.023 0.000 1.107 52 N CA -0.205 52.837 53.050 -0.014 0.000 0.869 52 N CB 0.437 38.935 38.487 0.018 0.000 0.983 52 N HN 0.002 nan 8.380 nan 0.000 0.487 53 L N 0.466 121.656 121.223 -0.055 0.000 2.072 53 L HA 0.159 4.499 4.340 0.001 0.000 0.205 53 L C 0.386 177.246 176.870 -0.017 0.000 1.079 53 L CA 1.223 56.052 54.840 -0.018 0.000 0.752 53 L CB 0.237 42.298 42.059 0.004 0.000 0.906 53 L HN -0.091 nan 8.230 nan 0.000 0.436 54 V N -0.076 119.756 119.914 -0.136 0.000 2.925 54 V HA 0.444 4.565 4.120 0.001 0.000 0.311 54 V C -1.213 174.780 176.094 -0.167 0.000 1.104 54 V CA -0.795 61.429 62.300 -0.128 0.000 0.954 54 V CB 1.932 33.630 31.823 -0.208 0.000 1.022 54 V HN 0.232 nan 8.190 nan 0.000 0.427 55 K N 5.066 125.388 120.400 -0.131 0.000 2.578 55 K HA 0.631 4.952 4.320 0.001 0.000 0.250 55 K C -1.786 174.740 176.600 -0.123 0.000 0.955 55 K CA -0.520 55.698 56.287 -0.115 0.000 0.825 55 K CB 2.084 34.544 32.500 -0.066 0.000 1.151 55 K HN 0.562 nan 8.250 nan 0.000 0.432 56 V N 4.429 124.257 119.914 -0.144 0.000 2.498 56 V HA 0.310 4.430 4.120 0.001 0.000 0.279 56 V C -0.107 175.936 176.094 -0.084 0.000 1.048 56 V CA -0.340 61.878 62.300 -0.137 0.000 0.967 56 V CB 1.100 32.825 31.823 -0.164 0.000 0.988 56 V HN 0.742 nan 8.190 nan 0.000 0.473 57 K N 2.579 122.939 120.400 -0.066 0.000 2.350 57 K HA 0.399 4.719 4.320 0.001 0.000 0.241 57 K C 0.533 177.109 176.600 -0.040 0.000 0.994 57 K CA -0.708 55.551 56.287 -0.046 0.000 0.839 57 K CB 1.173 33.650 32.500 -0.038 0.000 1.244 57 K HN 0.674 nan 8.250 nan 0.000 0.443 58 N N -0.025 118.656 118.700 -0.031 0.000 2.463 58 N HA 0.076 4.816 4.740 0.001 0.000 0.181 58 N C -0.401 175.099 175.510 -0.017 0.000 1.078 58 N CA 0.074 53.111 53.050 -0.022 0.000 0.902 58 N CB 0.556 39.033 38.487 -0.017 0.000 0.970 58 N HN 0.481 nan 8.380 nan 0.000 0.451 59 A N -1.102 121.704 122.820 -0.024 0.000 2.583 59 A HA 0.754 5.075 4.320 0.001 0.000 0.292 59 A C -1.612 175.943 177.584 -0.047 0.000 1.045 59 A CA -0.628 51.393 52.037 -0.027 0.000 0.672 59 A CB 0.316 19.301 19.000 -0.024 0.000 1.283 59 A HN 0.353 nan 8.150 nan 0.000 0.419 60 A N 0.632 123.413 122.820 -0.064 0.000 2.327 60 A HA 0.605 4.926 4.320 0.001 0.000 0.283 60 A C -0.682 176.779 177.584 -0.205 0.000 1.127 60 A CA -0.366 51.616 52.037 -0.093 0.000 0.810 60 A CB 0.158 19.124 19.000 -0.057 0.000 1.066 60 A HN 0.611 nan 8.150 nan 0.000 0.492 61 D N 2.144 122.417 120.400 -0.211 0.000 2.380 61 D HA 0.363 5.003 4.640 0.001 0.000 0.230 61 D C -0.423 175.505 176.300 -0.620 0.000 1.154 61 D CA 0.255 54.062 54.000 -0.321 0.000 0.859 61 D CB 1.314 42.006 40.800 -0.180 0.000 1.045 61 D HN 0.150 nan 8.370 nan 0.000 0.495 62 V N 1.508 120.808 119.914 -1.023 0.000 2.612 62 V HA 0.472 4.592 4.120 0.001 0.000 0.301 62 V C 0.378 175.712 176.094 -1.268 0.000 1.046 62 V CA -0.443 60.852 62.300 -1.674 0.000 0.946 62 V CB 1.977 32.746 31.823 -1.758 0.000 1.003 62 V HN 0.440 nan 8.190 nan 0.000 0.459 63 S N 2.512 117.670 115.700 -0.905 0.000 2.541 63 S HA 0.848 5.319 4.470 0.001 0.000 0.280 63 S C -1.316 173.178 174.600 -0.176 0.000 1.112 63 S CA -0.428 57.524 58.200 -0.412 0.000 0.925 63 S CB 1.699 64.774 63.200 -0.209 0.000 1.067 63 S HN 0.500 nan 8.310 nan 0.000 0.479 64 V N 3.089 122.967 119.914 -0.059 0.000 2.808 64 V HA 0.676 4.796 4.120 0.001 0.000 0.308 64 V C -0.388 175.753 176.094 0.079 0.000 1.099 64 V CA -0.662 61.678 62.300 0.067 0.000 0.920 64 V CB 2.182 34.111 31.823 0.177 0.000 1.014 64 V HN 0.868 nan 8.190 nan 0.000 0.425 65 S N 2.363 118.106 115.700 0.073 0.000 2.638 65 S HA 0.900 5.370 4.470 0.001 0.000 0.302 65 S C -1.376 173.307 174.600 0.139 0.000 1.096 65 S CA -0.632 57.524 58.200 -0.072 0.000 0.953 65 S CB 2.064 65.177 63.200 -0.146 0.000 1.107 65 S HN 0.893 nan 8.310 nan 0.000 0.503 66 W N 0.419 121.691 121.300 -0.046 0.000 3.074 66 W HA 0.725 5.385 4.660 0.001 0.000 0.332 66 W C -1.594 174.860 176.519 -0.108 0.000 1.253 66 W CA -0.579 56.735 57.345 -0.051 0.000 1.180 66 W CB 0.634 30.059 29.460 -0.058 0.000 1.445 66 W HN 0.392 nan 8.180 nan 0.000 0.573 67 N N 1.097 119.824 118.700 0.044 0.000 2.284 67 N HA 0.660 5.400 4.740 0.001 0.000 0.289 67 N C -2.302 172.961 175.510 -0.412 0.000 1.179 67 N CA -0.697 52.155 53.050 -0.330 0.000 0.774 67 N CB 2.554 40.735 38.487 -0.510 0.000 1.548 67 N HN 0.617 nan 8.380 nan 0.000 0.473 68 L N 0.992 121.816 121.223 -0.665 0.000 2.439 68 L HA 0.490 4.831 4.340 0.001 0.000 0.270 68 L C -0.925 175.592 176.870 -0.588 0.000 0.972 68 L CA -0.367 54.195 54.840 -0.464 0.000 0.836 68 L CB 1.233 43.211 42.059 -0.135 0.000 1.255 68 L HN 0.691 nan 8.230 nan 0.000 0.404 69 W N 2.107 123.448 121.300 0.068 0.000 2.735 69 W HA 0.328 4.988 4.660 0.001 0.000 0.264 69 W C 0.146 176.689 176.519 0.041 0.000 1.233 69 W CA -0.300 57.075 57.345 0.049 0.000 1.408 69 W CB 0.310 29.796 29.460 0.043 0.000 1.038 69 W HN 0.417 nan 8.180 nan 0.000 0.603 70 N N -0.241 118.581 118.700 0.203 0.000 2.399 70 N HA 0.580 5.320 4.740 0.001 0.000 0.284 70 N C -0.168 175.387 175.510 0.075 0.000 1.025 70 N CA 0.341 53.470 53.050 0.131 0.000 0.885 70 N CB 1.896 40.460 38.487 0.129 0.000 1.339 70 N HN 0.107 nan 8.380 nan 0.000 0.487 71 G N 1.033 109.867 108.800 0.057 0.000 2.541 71 G HA2 -0.127 3.833 3.960 0.001 0.000 0.686 71 G HA3 -0.127 3.833 3.960 0.001 0.000 0.686 71 G C -1.587 173.329 174.900 0.026 0.000 1.286 71 G CA -1.008 44.114 45.100 0.036 0.000 0.894 71 G HN 0.560 nan 8.290 nan 0.000 0.575 72 D N 0.365 120.777 120.400 0.019 0.000 2.389 72 D HA 0.469 5.110 4.640 0.001 0.000 0.247 72 D C 1.448 177.757 176.300 0.013 0.000 1.128 72 D CA 0.568 54.578 54.000 0.016 0.000 0.884 72 D CB 1.427 42.234 40.800 0.012 0.000 1.194 72 D HN 0.991 nan 8.370 nan 0.000 0.441 73 A N 3.014 125.846 122.820 0.020 0.000 2.235 73 A HA 0.360 4.680 4.320 0.001 0.000 0.208 73 A C 1.234 178.834 177.584 0.028 0.000 1.172 73 A CA 0.965 53.022 52.037 0.033 0.000 0.786 73 A CB -0.782 18.251 19.000 0.055 0.000 0.804 73 A HN 0.948 nan 8.150 nan 0.000 0.479 74 G N -1.285 107.523 108.800 0.013 0.000 2.698 74 G HA2 -0.163 3.798 3.960 0.001 0.000 0.233 74 G HA3 -0.163 3.798 3.960 0.001 0.000 0.233 74 G C 0.661 175.567 174.900 0.010 0.000 1.352 74 G CA 0.639 45.740 45.100 0.002 0.000 0.879 74 G HN 1.381 nan 8.290 nan 0.000 0.567 75 T N -4.489 110.065 114.554 -0.001 0.000 2.959 75 T HA 0.523 4.874 4.350 0.001 0.000 0.254 75 T C 0.791 175.489 174.700 -0.004 0.000 1.003 75 T CA 1.541 63.642 62.100 0.001 0.000 0.950 75 T CB 0.678 69.541 68.868 -0.009 0.000 1.090 75 T HN 1.172 nan 8.240 nan 0.000 0.503 76 T N 1.987 116.529 114.554 -0.020 0.000 2.886 76 T HA 0.780 5.131 4.350 0.001 0.000 0.292 76 T C -1.021 173.652 174.700 -0.044 0.000 1.012 76 T CA -0.557 61.518 62.100 -0.042 0.000 0.982 76 T CB 1.733 70.555 68.868 -0.077 0.000 1.018 76 T HN 0.503 nan 8.240 nan 0.000 0.451 77 A N 3.280 126.091 122.820 -0.016 0.000 2.337 77 A HA 0.862 5.182 4.320 0.001 0.000 0.329 77 A C -0.512 177.074 177.584 0.003 0.000 1.146 77 A CA -0.742 51.276 52.037 -0.031 0.000 0.800 77 A CB 0.914 19.974 19.000 0.100 0.000 1.220 77 A HN 0.754 nan 8.150 nan 0.000 0.472 78 K N 1.529 121.884 120.400 -0.076 0.000 2.469 78 K HA 0.569 4.890 4.320 0.001 0.000 0.254 78 K C -1.428 175.129 176.600 -0.071 0.000 0.939 78 K CA -0.733 55.547 56.287 -0.012 0.000 0.812 78 K CB 2.140 34.580 32.500 -0.100 0.000 1.301 78 K HN 0.490 nan 8.250 nan 0.000 0.433 79 I N 3.655 124.209 120.570 -0.026 0.000 2.354 79 I HA 0.363 4.533 4.170 0.001 0.000 0.292 79 I C -0.408 175.575 176.117 -0.223 0.000 0.989 79 I CA -0.590 60.580 61.300 -0.217 0.000 1.188 79 I CB 1.007 38.715 38.000 -0.486 0.000 1.342 79 I HN 0.448 nan 8.210 nan 0.000 0.457 80 L N 6.737 127.858 121.223 -0.170 0.000 2.329 80 L HA 0.584 4.925 4.340 0.001 0.000 0.279 80 L C -0.598 176.219 176.870 -0.090 0.000 1.014 80 L CA -0.669 54.098 54.840 -0.122 0.000 0.814 80 L CB 2.052 44.063 42.059 -0.081 0.000 1.257 80 L HN 0.318 nan 8.230 nan 0.000 0.424 81 L N 4.043 125.224 121.223 -0.069 0.000 2.342 81 L HA 0.420 4.761 4.340 0.001 0.000 0.276 81 L C -0.224 176.700 176.870 0.091 0.000 0.997 81 L CA -0.630 54.211 54.840 0.001 0.000 0.838 81 L CB 1.268 43.243 42.059 -0.139 0.000 1.224 81 L HN 0.672 nan 8.230 nan 0.000 0.416 82 N N 3.035 121.807 118.700 0.120 0.000 2.721 82 N HA -0.216 4.525 4.740 0.001 0.000 0.249 82 N C 1.002 176.540 175.510 0.046 0.000 1.072 82 N CA 1.272 54.380 53.050 0.096 0.000 0.710 82 N CB -0.858 37.710 38.487 0.135 0.000 0.993 82 N HN 1.129 nan 8.380 nan 0.000 0.547 83 G N -1.361 107.450 108.800 0.019 0.000 2.179 83 G HA2 -0.355 3.605 3.960 0.001 0.000 0.260 83 G HA3 -0.355 3.605 3.960 0.001 0.000 0.260 83 G C -0.066 174.825 174.900 -0.016 0.000 0.977 83 G CA 0.736 45.833 45.100 -0.004 0.000 0.641 83 G HN 0.552 nan 8.290 nan 0.000 0.533 84 K N 1.451 121.844 120.400 -0.012 0.000 2.213 84 K HA 0.409 4.730 4.320 0.001 0.000 0.270 84 K C 0.177 176.738 176.600 -0.065 0.000 1.002 84 K CA -0.548 55.722 56.287 -0.028 0.000 0.868 84 K CB 1.064 33.562 32.500 -0.003 0.000 1.093 84 K HN 0.396 nan 8.250 nan 0.000 0.454 85 E N 2.729 122.883 120.200 -0.076 0.000 2.465 85 E HA 0.009 4.359 4.350 0.001 0.000 0.260 85 E C -0.226 176.298 176.600 -0.125 0.000 0.980 85 E CA 0.215 56.551 56.400 -0.106 0.000 0.927 85 E CB 0.588 30.229 29.700 -0.099 0.000 0.934 85 E HN 0.641 nan 8.360 nan 0.000 0.459 86 A N 4.877 127.583 122.820 -0.191 0.000 2.456 86 A HA 0.193 4.514 4.320 0.001 0.000 0.237 86 A C -0.669 176.800 177.584 -0.190 0.000 1.217 86 A CA -0.323 51.577 52.037 -0.229 0.000 0.962 86 A CB 0.217 18.987 19.000 -0.383 0.000 1.079 86 A HN 0.736 nan 8.150 nan 0.000 0.536 87 W N -0.399 120.662 121.300 -0.398 0.000 3.298 87 W HA 0.473 5.134 4.660 0.001 0.000 0.302 87 W C -1.362 175.028 176.519 -0.214 0.000 1.255 87 W CA 0.294 57.460 57.345 -0.299 0.000 1.196 87 W CB 0.879 30.085 29.460 -0.424 0.000 1.364 87 W HN 0.375 nan 8.180 nan 0.000 0.566 88 S N 3.128 118.212 115.700 -1.026 0.000 2.537 88 S HA 0.961 5.431 4.470 0.001 0.000 0.270 88 S C -0.794 172.899 174.600 -1.512 0.000 1.142 88 S CA -0.264 57.366 58.200 -0.950 0.000 0.870 88 S CB 1.753 64.672 63.200 -0.468 0.000 1.112 88 S HN 1.477 nan 8.310 nan 0.000 0.466 89 G N 0.440 108.625 108.800 -1.025 0.000 2.506 89 G HA2 0.675 4.636 3.960 0.001 0.000 0.292 89 G HA3 0.675 4.636 3.960 0.001 0.000 0.292 89 G C -3.711 171.091 174.900 -0.164 0.000 1.425 89 G CA -1.086 43.647 45.100 -0.613 0.000 0.788 89 G HN 0.600 nan 8.290 nan 0.000 0.490 90 P HA 0.301 nan 4.420 nan 0.000 0.271 90 P C -0.184 177.194 177.300 0.129 0.000 1.216 90 P CA -0.007 63.111 63.100 0.029 0.000 0.771 90 P CB 1.418 33.134 31.700 0.027 0.000 0.864 91 S N 1.585 117.352 115.700 0.112 0.000 2.835 91 S HA 0.165 4.636 4.470 0.001 0.000 0.286 91 S C 1.127 175.801 174.600 0.122 0.000 1.194 91 S CA -0.282 58.022 58.200 0.173 0.000 1.031 91 S CB -0.925 62.352 63.200 0.128 0.000 1.216 91 S HN 0.503 nan 8.310 nan 0.000 0.502 92 T N 0.826 115.452 114.554 0.122 0.000 3.081 92 T HA 0.389 4.740 4.350 0.001 0.000 0.255 92 T C 0.887 175.619 174.700 0.054 0.000 1.113 92 T CA 0.273 62.416 62.100 0.072 0.000 1.082 92 T CB 0.199 69.102 68.868 0.058 0.000 0.939 92 T HN 0.589 nan 8.240 nan 0.000 0.506 93 G N 0.478 109.318 108.800 0.067 0.000 2.727 93 G HA2 0.451 4.412 3.960 0.001 0.000 0.289 93 G HA3 0.451 4.412 3.960 0.001 0.000 0.289 93 G C 0.505 175.422 174.900 0.028 0.000 1.418 93 G CA -0.079 45.036 45.100 0.025 0.000 0.818 93 G HN 0.114 nan 8.290 nan 0.000 0.486 94 S N -1.309 114.375 115.700 -0.027 0.000 2.515 94 S HA 0.157 4.628 4.470 0.001 0.000 0.231 94 S C 1.148 175.665 174.600 -0.138 0.000 0.987 94 S CA 1.096 59.254 58.200 -0.071 0.000 0.936 94 S CB -0.394 62.739 63.200 -0.112 0.000 0.766 94 S HN 1.577 nan 8.310 nan 0.000 0.528 95 S N -0.963 114.628 115.700 -0.182 0.000 2.627 95 S HA 0.887 5.358 4.470 0.001 0.000 0.283 95 S C -0.336 173.929 174.600 -0.559 0.000 1.127 95 S CA -0.338 57.633 58.200 -0.382 0.000 0.863 95 S CB 1.703 64.706 63.200 -0.329 0.000 1.121 95 S HN 0.891 nan 8.310 nan 0.000 0.479 96 G N -0.128 107.941 108.800 -1.218 0.000 2.523 96 G HA2 0.605 4.565 3.960 0.001 0.000 0.291 96 G HA3 0.605 4.565 3.960 0.001 0.000 0.291 96 G C -1.614 172.261 174.900 -1.709 0.000 1.450 96 G CA -0.602 43.700 45.100 -1.329 0.000 0.790 96 G HN 0.854 nan 8.290 nan 0.000 0.496 97 T N -0.241 113.714 114.554 -0.999 0.000 2.912 97 T HA 0.771 5.121 4.350 0.001 0.000 0.299 97 T C -0.431 174.059 174.700 -0.350 0.000 1.052 97 T CA 0.083 61.827 62.100 -0.595 0.000 0.996 97 T CB 1.753 70.429 68.868 -0.321 0.000 1.070 97 T HN 1.461 nan 8.240 nan 0.000 0.465 98 A N 3.167 125.808 122.820 -0.298 0.000 2.371 98 A HA 0.813 5.134 4.320 0.001 0.000 0.311 98 A C -0.802 176.557 177.584 -0.375 0.000 1.068 98 A CA -0.876 50.739 52.037 -0.704 0.000 0.744 98 A CB 0.909 19.040 19.000 -1.448 0.000 1.239 98 A HN 0.701 nan 8.150 nan 0.000 0.435 99 N N 1.489 120.020 118.700 -0.283 0.000 2.354 99 N HA 0.774 5.515 4.740 0.001 0.000 0.287 99 N C -1.167 174.354 175.510 0.019 0.000 1.016 99 N CA 0.055 53.003 53.050 -0.170 0.000 0.871 99 N CB 1.808 40.239 38.487 -0.093 0.000 1.299 99 N HN 0.661 nan 8.380 nan 0.000 0.482 100 F N -1.244 118.598 119.950 -0.180 0.000 2.741 100 F HA 0.594 5.121 4.527 0.001 0.000 0.313 100 F C -1.012 174.712 175.800 -0.126 0.000 1.153 100 F CA -1.196 56.767 58.000 -0.061 0.000 0.931 100 F CB 1.344 40.353 39.000 0.015 0.000 1.335 100 F HN -0.043 nan 8.300 nan 0.000 0.460 101 K N 1.143 121.589 120.400 0.077 0.000 2.156 101 K HA 0.791 5.112 4.320 0.001 0.000 0.254 101 K C -1.635 174.983 176.600 0.029 0.000 0.950 101 K CA -1.204 55.051 56.287 -0.053 0.000 0.849 101 K CB 2.617 35.109 32.500 -0.014 0.000 1.100 101 K HN 0.516 nan 8.250 nan 0.000 0.434 102 V N 3.085 122.955 119.914 -0.072 0.000 2.447 102 V HA 0.076 4.196 4.120 0.001 0.000 0.292 102 V C -0.225 175.857 176.094 -0.019 0.000 1.021 102 V CA -0.917 61.354 62.300 -0.048 0.000 0.850 102 V CB 1.200 32.945 31.823 -0.129 0.000 1.005 102 V HN 0.868 nan 8.190 nan 0.000 0.426 103 N N 2.649 121.356 118.700 0.012 0.000 2.268 103 N HA 0.106 4.847 4.740 0.001 0.000 0.204 103 N C -0.074 175.470 175.510 0.055 0.000 1.124 103 N CA -0.210 52.855 53.050 0.024 0.000 0.838 103 N CB 0.404 38.903 38.487 0.020 0.000 0.994 103 N HN 0.657 nan 8.380 nan 0.000 0.489 104 K N -0.024 120.435 120.400 0.099 0.000 2.507 104 K HA 0.537 4.858 4.320 0.001 0.000 0.251 104 K C -0.182 176.552 176.600 0.223 0.000 0.943 104 K CA -0.833 55.542 56.287 0.146 0.000 0.794 104 K CB 1.584 34.184 32.500 0.165 0.000 1.188 104 K HN 0.112 nan 8.250 nan 0.000 0.428 105 G N 1.394 110.290 108.800 0.160 0.000 2.594 105 G HA2 0.512 4.473 3.960 0.001 0.000 0.243 105 G HA3 0.512 4.473 3.960 0.001 0.000 0.243 105 G C -0.028 174.952 174.900 0.134 0.000 1.229 105 G CA 0.339 45.539 45.100 0.167 0.000 0.843 105 G HN 0.886 nan 8.290 nan 0.000 0.578 106 G N -0.145 108.721 108.800 0.110 0.000 2.368 106 G HA2 0.377 4.337 3.960 0.001 0.000 0.302 106 G HA3 0.377 4.337 3.960 0.001 0.000 0.302 106 G C -1.214 173.607 174.900 -0.132 0.000 1.329 106 G CA -1.135 43.891 45.100 -0.122 0.000 0.935 106 G HN 0.718 nan 8.290 nan 0.000 0.590 107 R N -0.136 120.211 120.500 -0.255 0.000 2.310 107 R HA 0.618 4.959 4.340 0.001 0.000 0.324 107 R C -1.292 174.881 176.300 -0.211 0.000 0.955 107 R CA -0.454 55.586 56.100 -0.100 0.000 0.830 107 R CB 1.172 31.440 30.300 -0.052 0.000 1.154 107 R HN 0.477 nan 8.270 nan 0.000 0.458 108 Y N 0.674 121.004 120.300 0.050 0.000 2.446 108 Y HA 0.270 4.821 4.550 0.001 0.000 0.338 108 Y C 0.235 176.158 175.900 0.040 0.000 1.055 108 Y CA -1.081 57.045 58.100 0.044 0.000 1.101 108 Y CB 1.615 40.109 38.460 0.057 0.000 1.221 108 Y HN 0.201 nan 8.280 nan 0.000 0.460 109 Q N 3.626 123.540 119.800 0.189 0.000 2.361 109 Q HA 0.208 4.548 4.340 0.001 0.000 0.250 109 Q C -0.516 175.551 176.000 0.113 0.000 1.023 109 Q CA -0.136 55.735 55.803 0.114 0.000 0.915 109 Q CB 1.284 30.064 28.738 0.069 0.000 1.238 109 Q HN 0.591 nan 8.270 nan 0.000 0.451 110 M N 2.973 122.633 119.600 0.101 0.000 2.264 110 M HA 0.308 4.789 4.480 0.001 0.000 0.352 110 M C -1.070 175.248 176.300 0.031 0.000 1.173 110 M CA -0.036 55.304 55.300 0.066 0.000 1.075 110 M CB 1.032 33.688 32.600 0.094 0.000 1.621 110 M HN 0.567 nan 8.290 nan 0.000 0.457 111 Q N 2.539 122.331 119.800 -0.013 0.000 2.421 111 Q HA 0.651 4.991 4.340 0.001 0.000 0.280 111 Q C -1.487 174.452 176.000 -0.102 0.000 1.085 111 Q CA -0.971 54.808 55.803 -0.039 0.000 0.807 111 Q CB 3.124 31.838 28.738 -0.040 0.000 1.405 111 Q HN 0.566 nan 8.270 nan 0.000 0.419 112 V N 1.126 120.956 119.914 -0.140 0.000 2.435 112 V HA 0.768 4.889 4.120 0.001 0.000 0.290 112 V C -0.733 175.194 176.094 -0.279 0.000 1.030 112 V CA -0.474 61.647 62.300 -0.299 0.000 0.881 112 V CB 1.386 32.948 31.823 -0.435 0.000 0.983 112 V HN 0.820 nan 8.190 nan 0.000 0.445 113 A N 6.203 128.851 122.820 -0.287 0.000 2.343 113 A HA 0.862 5.182 4.320 0.001 0.000 0.316 113 A C -0.970 176.477 177.584 -0.228 0.000 1.104 113 A CA -0.554 51.359 52.037 -0.207 0.000 0.768 113 A CB 0.944 19.860 19.000 -0.139 0.000 1.213 113 A HN 0.780 nan 8.150 nan 0.000 0.456 114 L N 1.861 122.975 121.223 -0.181 0.000 2.296 114 L HA 0.526 4.867 4.340 0.001 0.000 0.286 114 L C -0.700 176.119 176.870 -0.086 0.000 1.023 114 L CA -0.511 54.247 54.840 -0.137 0.000 0.812 114 L CB 1.331 43.324 42.059 -0.109 0.000 1.223 114 L HN 0.728 nan 8.230 nan 0.000 0.421 115 c N 2.296 120.854 118.600 -0.071 0.000 2.707 115 c HA 0.757 5.327 4.570 0.001 0.000 0.313 115 c C -0.109 173.957 174.090 -0.040 0.000 1.209 115 c CA -0.752 55.543 56.329 -0.055 0.000 1.635 115 c CB 1.589 44.061 42.510 -0.064 0.000 2.206 115 c HN 0.958 nan 8.230 nan 0.000 0.485 116 N N 0.046 118.726 118.700 -0.033 0.000 3.344 116 N HA 0.519 5.260 4.740 0.001 0.000 0.296 116 N C 0.326 175.821 175.510 -0.025 0.000 1.571 116 N CA -0.133 52.902 53.050 -0.025 0.000 0.844 116 N CB 0.337 38.814 38.487 -0.016 0.000 1.718 116 N HN 0.556 nan 8.380 nan 0.000 0.589 117 A N -0.354 122.453 122.820 -0.020 0.000 1.917 117 A HA -0.180 4.141 4.320 0.001 0.000 0.219 117 A C 1.016 178.589 177.584 -0.018 0.000 1.182 117 A CA 2.064 54.090 52.037 -0.019 0.000 0.633 117 A CB -0.961 18.030 19.000 -0.015 0.000 0.819 117 A HN 0.696 nan 8.150 nan 0.000 0.448 118 D N -0.971 119.419 120.400 -0.016 0.000 2.363 118 D HA 0.343 4.983 4.640 0.001 0.000 0.220 118 D C 1.029 177.319 176.300 -0.017 0.000 0.994 118 D CA 1.315 55.306 54.000 -0.014 0.000 0.890 118 D CB 0.211 41.005 40.800 -0.011 0.000 0.906 118 D HN 0.638 nan 8.370 nan 0.000 0.530 119 G N -1.167 107.619 108.800 -0.022 0.000 2.359 119 G HA2 0.021 3.982 3.960 0.001 0.000 0.303 119 G HA3 0.021 3.982 3.960 0.001 0.000 0.303 119 G C -1.290 173.590 174.900 -0.032 0.000 1.293 119 G CA -0.746 44.339 45.100 -0.026 0.000 0.964 119 G HN 0.177 nan 8.290 nan 0.000 0.531 120 c N -0.266 118.312 118.600 -0.037 0.000 2.435 120 c HA 0.911 5.482 4.570 0.001 0.000 0.333 120 c C 0.304 174.368 174.090 -0.043 0.000 1.202 120 c CA -0.319 55.982 56.329 -0.047 0.000 1.830 120 c CB 1.359 43.836 42.510 -0.056 0.000 2.326 120 c HN 0.863 nan 8.230 nan 0.000 0.507 121 T N 2.255 116.778 114.554 -0.052 0.000 2.847 121 T HA 0.627 4.978 4.350 0.001 0.000 0.291 121 T C -0.232 174.431 174.700 -0.062 0.000 0.998 121 T CA -0.061 62.012 62.100 -0.044 0.000 0.967 121 T CB 1.258 70.106 68.868 -0.033 0.000 0.954 121 T HN 0.905 nan 8.240 nan 0.000 0.441 122 A N 2.910 125.699 122.820 -0.053 0.000 2.303 122 A HA 0.806 5.126 4.320 0.001 0.000 0.317 122 A C 0.734 178.293 177.584 -0.042 0.000 1.149 122 A CA -0.724 51.276 52.037 -0.062 0.000 0.822 122 A CB 0.535 19.503 19.000 -0.052 0.000 1.131 122 A HN 0.863 nan 8.150 nan 0.000 0.493 123 S N 1.603 117.274 115.700 -0.049 0.000 2.634 123 S HA 0.311 4.782 4.470 0.001 0.000 0.261 123 S C -0.217 174.385 174.600 0.003 0.000 1.271 123 S CA -0.638 57.554 58.200 -0.013 0.000 0.985 123 S CB 0.330 63.525 63.200 -0.009 0.000 0.968 123 S HN 0.638 nan 8.310 nan 0.000 0.568 124 D N 0.961 121.376 120.400 0.026 0.000 2.357 124 D HA 0.444 5.084 4.640 0.001 0.000 0.242 124 D C 0.330 176.649 176.300 0.031 0.000 1.153 124 D CA 0.221 54.238 54.000 0.029 0.000 0.918 124 D CB 0.817 41.642 40.800 0.041 0.000 1.181 124 D HN 0.825 nan 8.370 nan 0.000 0.435 125 A N 1.186 124.025 122.820 0.030 0.000 2.388 125 A HA 0.431 4.752 4.320 0.001 0.000 0.257 125 A C 0.167 177.780 177.584 0.049 0.000 1.095 125 A CA -0.034 52.025 52.037 0.037 0.000 0.791 125 A CB 0.435 19.456 19.000 0.035 0.000 1.029 125 A HN 0.403 nan 8.150 nan 0.000 0.489 126 T N 1.768 116.356 114.554 0.058 0.000 2.824 126 T HA 0.346 4.696 4.350 0.001 0.000 0.282 126 T C -0.316 174.429 174.700 0.076 0.000 0.993 126 T CA -0.391 61.748 62.100 0.065 0.000 0.967 126 T CB 1.145 70.056 68.868 0.071 0.000 0.960 126 T HN 0.762 nan 8.240 nan 0.000 0.441 127 E N 3.689 123.929 120.200 0.068 0.000 2.289 127 E HA 0.429 4.779 4.350 0.001 0.000 0.278 127 E C -0.531 176.127 176.600 0.097 0.000 1.032 127 E CA -0.527 55.922 56.400 0.081 0.000 0.854 127 E CB 0.461 30.193 29.700 0.053 0.000 1.046 127 E HN 0.635 nan 8.360 nan 0.000 0.409 128 I N 0.896 121.558 120.570 0.153 0.000 2.569 128 I HA 0.515 4.685 4.170 0.001 0.000 0.296 128 I C -1.123 175.120 176.117 0.212 0.000 1.028 128 I CA -1.200 60.212 61.300 0.186 0.000 1.082 128 I CB 2.041 40.189 38.000 0.248 0.000 1.264 128 I HN 0.125 nan 8.210 nan 0.000 0.429 129 V N 5.864 125.875 119.914 0.161 0.000 2.384 129 V HA 0.396 4.516 4.120 0.001 0.000 0.287 129 V C -0.054 176.135 176.094 0.158 0.000 1.020 129 V CA -0.634 61.750 62.300 0.139 0.000 0.850 129 V CB 1.572 33.422 31.823 0.046 0.000 0.987 129 V HN 0.584 nan 8.190 nan 0.000 0.436 130 V N 4.801 124.834 119.914 0.199 0.000 2.313 130 V HA 0.649 4.769 4.120 0.001 0.000 0.278 130 V C 0.596 176.687 176.094 -0.005 0.000 1.017 130 V CA -0.492 61.894 62.300 0.145 0.000 0.823 130 V CB 1.313 33.280 31.823 0.241 0.000 1.010 130 V HN 0.968 nan 8.190 nan 0.000 0.443 131 A N 3.775 126.444 122.820 -0.252 0.000 2.340 131 A HA 0.716 5.037 4.320 0.001 0.000 0.268 131 A C -0.373 177.103 177.584 -0.181 0.000 1.100 131 A CA -0.117 51.490 52.037 -0.717 0.000 0.803 131 A CB 0.808 19.088 19.000 -1.200 0.000 1.043 131 A HN 0.743 nan 8.150 nan 0.000 0.488 132 D N -0.615 119.800 120.400 0.026 0.000 2.661 132 D HA 0.345 4.986 4.640 0.001 0.000 0.228 132 D C 0.901 177.365 176.300 0.273 0.000 1.210 132 D CA 0.401 54.510 54.000 0.183 0.000 0.826 132 D CB 1.678 42.549 40.800 0.119 0.000 1.542 132 D HN 0.476 nan 8.370 nan 0.000 0.447 133 T N -1.308 113.282 114.554 0.060 0.000 3.227 133 T HA -0.060 4.290 4.350 0.001 0.000 0.257 133 T C 0.782 175.584 174.700 0.170 0.000 1.162 133 T CA 0.617 62.721 62.100 0.006 0.000 1.051 133 T CB -0.173 68.663 68.868 -0.053 0.000 0.953 133 T HN 0.407 nan 8.240 nan 0.000 0.535 134 D N 0.450 120.942 120.400 0.152 0.000 2.339 134 D HA 0.170 4.810 4.640 0.001 0.000 0.217 134 D C 1.661 178.031 176.300 0.116 0.000 1.050 134 D CA 0.499 54.577 54.000 0.131 0.000 0.856 134 D CB -0.698 40.153 40.800 0.086 0.000 0.922 134 D HN 0.529 nan 8.370 nan 0.000 0.518 135 G N 0.873 109.782 108.800 0.182 0.000 2.159 135 G HA2 -0.375 3.586 3.960 0.001 0.000 0.256 135 G HA3 -0.375 3.586 3.960 0.001 0.000 0.256 135 G C 1.131 176.060 174.900 0.048 0.000 0.977 135 G CA 0.901 46.052 45.100 0.086 0.000 0.652 135 G HN 0.617 nan 8.290 nan 0.000 0.531 136 S N 0.562 116.355 115.700 0.155 0.000 2.493 136 S HA -0.169 4.302 4.470 0.001 0.000 0.243 136 S C 1.807 176.459 174.600 0.087 0.000 0.991 136 S CA 1.713 59.965 58.200 0.087 0.000 0.957 136 S CB -0.599 62.653 63.200 0.087 0.000 0.756 136 S HN 1.129 nan 8.310 nan 0.000 0.521 137 H N 0.262 119.333 119.070 0.002 0.000 2.551 137 H HA 0.472 5.029 4.556 0.001 0.000 0.271 137 H C 0.242 175.547 175.328 -0.038 0.000 0.984 137 H CA -0.542 55.495 56.048 -0.019 0.000 1.164 137 H CB -0.398 29.367 29.762 0.006 0.000 1.437 137 H HN 0.373 nan 8.280 nan 0.000 0.550 138 L N 3.250 124.200 121.223 -0.455 0.000 2.325 138 L HA 0.419 4.760 4.340 0.001 0.000 0.278 138 L C -2.201 174.541 176.870 -0.214 0.000 1.023 138 L CA -2.267 52.341 54.840 -0.388 0.000 0.811 138 L CB 1.960 43.739 42.059 -0.468 0.000 1.249 138 L HN -0.020 nan 8.230 nan 0.000 0.431 139 P HA 0.235 nan 4.420 nan 0.000 0.274 139 P C -2.651 174.566 177.300 -0.139 0.000 1.231 139 P CA -1.548 61.474 63.100 -0.130 0.000 0.790 139 P CB -0.083 31.553 31.700 -0.106 0.000 0.951 140 P HA 0.028 nan 4.420 nan 0.000 0.264 140 P C -0.304 176.914 177.300 -0.137 0.000 1.183 140 P CA 0.073 63.086 63.100 -0.145 0.000 0.763 140 P CB 0.140 31.749 31.700 -0.151 0.000 0.807 141 L N 4.226 125.365 121.223 -0.140 0.000 2.358 141 L HA 0.258 4.599 4.340 0.001 0.000 0.274 141 L C 0.130 176.943 176.870 -0.095 0.000 1.136 141 L CA 0.243 55.013 54.840 -0.116 0.000 0.970 141 L CB -0.589 41.397 42.059 -0.122 0.000 1.314 141 L HN 0.153 nan 8.230 nan 0.000 0.427 142 K N 3.515 123.861 120.400 -0.090 0.000 2.423 142 K HA 0.301 4.621 4.320 0.001 0.000 0.234 142 K C -0.585 175.995 176.600 -0.033 0.000 1.051 142 K CA -0.451 55.797 56.287 -0.065 0.000 1.021 142 K CB 0.435 32.877 32.500 -0.096 0.000 1.474 142 K HN 0.457 nan 8.250 nan 0.000 0.474 143 E N 0.766 120.957 120.200 -0.014 0.000 2.283 143 E HA 0.181 4.531 4.350 0.001 0.000 0.271 143 E C -0.241 176.358 176.600 -0.002 0.000 1.031 143 E CA -0.312 56.075 56.400 -0.020 0.000 0.868 143 E CB 1.582 31.259 29.700 -0.038 0.000 1.094 143 E HN 0.348 nan 8.360 nan 0.000 0.401 144 S N 0.994 116.689 115.700 -0.009 0.000 2.579 144 S HA 0.170 4.641 4.470 0.001 0.000 0.275 144 S C 0.639 175.243 174.600 0.008 0.000 1.345 144 S CA -0.511 57.689 58.200 0.000 0.000 1.031 144 S CB 0.307 63.504 63.200 -0.006 0.000 0.892 144 S HN 0.249 nan 8.310 nan 0.000 0.529 145 L N 2.433 123.668 121.223 0.019 0.000 2.426 145 L HA 0.302 4.642 4.340 0.001 0.000 0.271 145 L C 0.001 176.889 176.870 0.029 0.000 1.169 145 L CA -0.103 54.757 54.840 0.032 0.000 0.836 145 L CB 0.024 42.107 42.059 0.040 0.000 1.112 145 L HN 0.444 nan 8.230 nan 0.000 0.465 146 L N 1.739 122.987 121.223 0.042 0.000 2.298 146 L HA 0.451 4.792 4.340 0.001 0.000 0.268 146 L C 0.630 177.540 176.870 0.066 0.000 1.010 146 L CA -0.718 54.147 54.840 0.042 0.000 0.812 146 L CB 1.359 43.437 42.059 0.031 0.000 1.331 146 L HN 0.746 nan 8.230 nan 0.000 0.450 147 E N -0.044 120.193 120.200 0.062 0.000 3.401 147 E HA -0.347 4.004 4.350 0.001 0.000 0.352 147 E C 0.484 177.124 176.600 0.066 0.000 1.523 147 E CA 1.809 58.251 56.400 0.070 0.000 1.794 147 E CB -0.526 29.234 29.700 0.099 0.000 1.792 147 E HN 0.584 nan 8.360 nan 0.000 0.471 148 K N 1.323 121.773 120.400 0.082 0.000 2.404 148 K HA 0.156 4.477 4.320 0.001 0.000 0.194 148 K C 0.018 176.671 176.600 0.089 0.000 1.023 148 K CA -0.162 56.173 56.287 0.079 0.000 1.094 148 K CB -0.081 32.473 32.500 0.090 0.000 0.841 148 K HN 0.213 nan 8.250 nan 0.000 0.523 149 N N 2.706 121.463 118.700 0.096 0.000 2.412 149 N HA -0.015 4.726 4.740 0.001 0.000 0.258 149 N C -0.307 175.258 175.510 0.091 0.000 1.236 149 N CA 0.850 53.967 53.050 0.110 0.000 0.882 149 N CB 0.600 39.152 38.487 0.109 0.000 1.066 149 N HN -0.056 nan 8.380 nan 0.000 0.465 150 K N 2.465 122.937 120.400 0.121 0.000 2.316 150 K HA 0.464 4.785 4.320 0.001 0.000 0.251 150 K C -2.415 174.172 176.600 -0.023 0.000 0.934 150 K CA -1.799 54.500 56.287 0.019 0.000 0.802 150 K CB 2.170 34.653 32.500 -0.029 0.000 1.171 150 K HN 0.329 nan 8.250 nan 0.000 0.426 151 P HA 0.154 nan 4.420 nan 0.000 0.271 151 P C -1.168 175.945 177.300 -0.312 0.000 1.220 151 P CA 0.086 63.123 63.100 -0.106 0.000 0.768 151 P CB 0.335 31.990 31.700 -0.074 0.000 0.848 152 Y N 0.898 121.209 120.300 0.018 0.000 2.512 152 Y HA 0.389 4.940 4.550 0.001 0.000 0.348 152 Y C 0.712 176.624 175.900 0.019 0.000 0.990 152 Y CA -0.802 57.310 58.100 0.019 0.000 1.033 152 Y CB 2.524 40.995 38.460 0.019 0.000 1.259 152 Y HN 0.164 nan 8.280 nan 0.000 0.461 153 K N 2.051 122.560 120.400 0.181 0.000 2.183 153 K HA 0.290 4.611 4.320 0.001 0.000 0.274 153 K C -0.692 175.977 176.600 0.116 0.000 1.009 153 K CA -0.990 55.366 56.287 0.114 0.000 0.888 153 K CB 0.914 33.460 32.500 0.077 0.000 1.078 153 K HN 0.437 nan 8.250 nan 0.000 0.459 154 Q N 3.187 123.039 119.800 0.087 0.000 3.026 154 Q HA 0.009 4.349 4.340 0.001 0.000 0.258 154 Q C -0.042 175.997 176.000 0.065 0.000 1.388 154 Q CA 0.099 55.946 55.803 0.073 0.000 1.000 154 Q CB -0.290 28.484 28.738 0.060 0.000 1.634 154 Q HN 0.570 nan 8.270 nan 0.000 0.571 155 N N -1.597 117.143 118.700 0.066 0.000 2.170 155 N HA -0.063 4.678 4.740 0.001 0.000 0.222 155 N C 0.765 176.306 175.510 0.051 0.000 1.218 155 N CA 0.151 53.234 53.050 0.056 0.000 0.889 155 N CB 0.186 38.705 38.487 0.053 0.000 1.083 155 N HN 0.107 nan 8.380 nan 0.000 0.520 156 S N -0.941 114.790 115.700 0.052 0.000 2.470 156 S HA 0.259 4.729 4.470 0.001 0.000 0.225 156 S C 1.613 176.239 174.600 0.044 0.000 1.006 156 S CA 0.630 58.856 58.200 0.044 0.000 0.934 156 S CB -0.605 62.618 63.200 0.038 0.000 0.778 156 S HN 0.562 nan 8.310 nan 0.000 0.517 157 G N 0.925 109.756 108.800 0.052 0.000 2.179 157 G HA2 -0.205 3.756 3.960 0.001 0.000 0.260 157 G HA3 -0.205 3.756 3.960 0.001 0.000 0.260 157 G C -0.022 174.916 174.900 0.065 0.000 0.977 157 G CA 0.315 45.450 45.100 0.058 0.000 0.641 157 G HN 0.502 nan 8.290 nan 0.000 0.533 158 K N 0.228 120.662 120.400 0.057 0.000 2.118 158 K HA 0.644 4.965 4.320 0.001 0.000 0.254 158 K C 0.551 177.188 176.600 0.061 0.000 0.961 158 K CA -0.813 55.505 56.287 0.053 0.000 0.876 158 K CB 2.067 34.589 32.500 0.038 0.000 1.077 158 K HN 0.073 nan 8.250 nan 0.000 0.440 159 V N 2.005 121.940 119.914 0.034 0.000 2.572 159 V HA 0.089 4.209 4.120 0.001 0.000 0.291 159 V C -0.010 176.127 176.094 0.072 0.000 1.039 159 V CA -0.295 62.012 62.300 0.012 0.000 1.055 159 V CB 1.077 32.782 31.823 -0.198 0.000 0.969 159 V HN 0.359 nan 8.190 nan 0.000 0.482 160 V N 4.997 124.980 119.914 0.116 0.000 2.385 160 V HA 0.714 4.835 4.120 0.001 0.000 0.277 160 V C 0.431 176.606 176.094 0.136 0.000 1.012 160 V CA -0.123 62.238 62.300 0.103 0.000 0.832 160 V CB 1.181 33.037 31.823 0.055 0.000 1.028 160 V HN 0.981 nan 8.190 nan 0.000 0.436 161 G N 1.946 110.842 108.800 0.159 0.000 2.685 161 G HA2 0.815 4.776 3.960 0.001 0.000 0.298 161 G HA3 0.815 4.776 3.960 0.001 0.000 0.298 161 G C -1.042 173.942 174.900 0.139 0.000 1.277 161 G CA -0.669 44.509 45.100 0.130 0.000 0.986 161 G HN 0.689 nan 8.290 nan 0.000 0.487 162 S N -1.739 113.999 115.700 0.063 0.000 2.567 162 S HA 0.591 5.062 4.470 0.001 0.000 0.270 162 S C -2.077 172.524 174.600 0.002 0.000 1.152 162 S CA -0.611 57.660 58.200 0.118 0.000 0.835 162 S CB 0.993 64.233 63.200 0.067 0.000 1.115 162 S HN 0.446 nan 8.310 nan 0.000 0.459 163 Y N 1.940 122.210 120.300 -0.050 0.000 2.330 163 Y HA 0.599 5.149 4.550 0.001 0.000 0.336 163 Y C -0.287 175.443 175.900 -0.283 0.000 1.036 163 Y CA -0.575 57.431 58.100 -0.158 0.000 1.125 163 Y CB 1.225 39.531 38.460 -0.257 0.000 1.194 163 Y HN 0.604 nan 8.280 nan 0.000 0.469 164 F N 4.625 124.473 119.950 -0.170 0.000 2.436 164 F HA 0.638 5.165 4.527 0.001 0.000 0.340 164 F C -0.719 174.906 175.800 -0.292 0.000 1.113 164 F CA -1.247 56.647 58.000 -0.177 0.000 1.022 164 F CB 0.851 39.860 39.000 0.015 0.000 1.128 164 F HN 0.233 nan 8.300 nan 0.000 0.466 165 V N 3.895 123.210 119.914 -0.998 0.000 2.394 165 V HA 0.363 4.484 4.120 0.001 0.000 0.282 165 V C 1.033 176.660 176.094 -0.778 0.000 1.031 165 V CA -0.422 61.420 62.300 -0.763 0.000 0.881 165 V CB 1.387 32.869 31.823 -0.568 0.000 0.982 165 V HN 1.044 nan 8.190 nan 0.000 0.451 166 E N 4.511 124.414 120.200 -0.494 0.000 2.097 166 E HA -0.224 4.127 4.350 0.001 0.000 0.196 166 E C 1.780 178.327 176.600 -0.088 0.000 1.000 166 E CA 2.105 58.396 56.400 -0.182 0.000 0.804 166 E CB -0.037 29.598 29.700 -0.108 0.000 0.740 166 E HN 1.013 nan 8.360 nan 0.000 0.454 167 A N 0.168 122.931 122.820 -0.096 0.000 2.235 167 A HA 0.129 4.450 4.320 0.001 0.000 0.208 167 A C 1.993 179.539 177.584 -0.064 0.000 1.172 167 A CA 0.741 52.795 52.037 0.029 0.000 0.786 167 A CB -0.368 18.651 19.000 0.032 0.000 0.804 167 A HN 0.401 nan 8.150 nan 0.000 0.479 168 G N -0.341 108.296 108.800 -0.272 0.000 2.744 168 G HA2 0.084 4.045 3.960 0.001 0.000 0.211 168 G HA3 0.084 4.045 3.960 0.001 0.000 0.211 168 G C 1.250 176.025 174.900 -0.208 0.000 1.143 168 G CA 1.000 45.905 45.100 -0.325 0.000 0.788 168 G HN 0.861 nan 8.290 nan 0.000 0.534 169 V N -2.908 116.875 119.914 -0.218 0.000 3.380 169 V HA 0.159 4.280 4.120 0.001 0.000 0.268 169 V C 1.696 177.604 176.094 -0.310 0.000 1.168 169 V CA 0.296 62.455 62.300 -0.235 0.000 1.156 169 V CB -1.033 30.622 31.823 -0.279 0.000 0.785 169 V HN 0.259 nan 8.190 nan 0.000 0.487 170 Y N 2.209 122.491 120.300 -0.031 0.000 2.926 170 Y HA 0.547 5.097 4.550 0.001 0.000 0.207 170 Y C 2.706 178.588 175.900 -0.030 0.000 0.927 170 Y CA 1.301 59.396 58.100 -0.008 0.000 1.055 170 Y CB -1.176 37.280 38.460 -0.007 0.000 1.056 170 Y HN 0.085 nan 8.280 nan 0.000 0.462 171 G N 0.005 108.893 108.800 0.146 0.000 2.442 171 G HA2 -0.213 3.748 3.960 0.001 0.000 0.219 171 G HA3 -0.213 3.748 3.960 0.001 0.000 0.219 171 G C 1.537 176.409 174.900 -0.047 0.000 1.141 171 G CA 0.832 45.973 45.100 0.069 0.000 0.763 171 G HN 0.280 nan 8.290 nan 0.000 0.554 172 R N -0.387 119.906 120.500 -0.346 0.000 2.235 172 R HA 0.008 4.349 4.340 0.001 0.000 0.213 172 R C 1.229 177.530 176.300 0.003 0.000 1.059 172 R CA 0.473 56.343 56.100 -0.383 0.000 0.997 172 R CB -0.186 29.739 30.300 -0.624 0.000 0.884 172 R HN 0.345 nan 8.270 nan 0.000 0.462 173 N N -0.190 118.514 118.700 0.007 0.000 2.696 173 N HA -0.258 4.483 4.740 0.001 0.000 0.249 173 N C -1.356 174.196 175.510 0.070 0.000 1.090 173 N CA 0.506 53.581 53.050 0.042 0.000 0.716 173 N CB -1.142 37.388 38.487 0.071 0.000 1.020 173 N HN 0.208 nan 8.380 nan 0.000 0.548 174 F N 0.959 120.868 119.950 -0.069 0.000 2.332 174 F HA 0.410 4.938 4.527 0.001 0.000 0.368 174 F C 0.811 176.666 175.800 0.092 0.000 1.110 174 F CA -0.105 57.888 58.000 -0.012 0.000 1.087 174 F CB 0.482 39.441 39.000 -0.068 0.000 1.235 174 F HN 0.129 nan 8.300 nan 0.000 0.470 175 T N 1.188 115.699 114.554 -0.072 0.000 2.912 175 T HA 0.303 4.654 4.350 0.001 0.000 0.280 175 T C 1.179 175.894 174.700 0.025 0.000 0.989 175 T CA -0.776 61.373 62.100 0.082 0.000 0.995 175 T CB 1.489 70.318 68.868 -0.064 0.000 1.077 175 T HN 0.245 nan 8.240 nan 0.000 0.531 176 V N 1.815 121.659 119.914 -0.117 0.000 2.469 176 V HA -0.182 3.938 4.120 0.001 0.000 0.251 176 V C 2.577 178.545 176.094 -0.210 0.000 1.064 176 V CA 2.291 64.387 62.300 -0.340 0.000 1.066 176 V CB -0.976 30.593 31.823 -0.423 0.000 0.667 176 V HN 1.044 nan 8.190 nan 0.000 0.461 177 D N 0.052 120.342 120.400 -0.182 0.000 2.350 177 D HA -0.200 4.441 4.640 0.001 0.000 0.216 177 D C 1.637 177.833 176.300 -0.173 0.000 0.968 177 D CA 0.804 54.712 54.000 -0.153 0.000 0.894 177 D CB -0.165 40.555 40.800 -0.133 0.000 0.909 177 D HN 0.420 nan 8.370 nan 0.000 0.520 178 K N 0.139 120.362 120.400 -0.294 0.000 2.404 178 K HA 0.223 4.543 4.320 0.001 0.000 0.194 178 K C 0.680 177.171 176.600 -0.183 0.000 1.023 178 K CA -0.190 55.853 56.287 -0.407 0.000 1.094 178 K CB 0.740 32.654 32.500 -0.976 0.000 0.841 178 K HN 0.185 nan 8.250 nan 0.000 0.523 179 I N 4.143 124.701 120.570 -0.021 0.000 2.471 179 I HA 0.027 4.198 4.170 0.001 0.000 0.286 179 I C -1.808 174.359 176.117 0.083 0.000 1.079 179 I CA -1.810 59.590 61.300 0.167 0.000 1.398 179 I CB 0.708 38.773 38.000 0.109 0.000 1.403 179 I HN -0.147 nan 8.210 nan 0.000 0.530 180 P HA 0.106 nan 4.420 nan 0.000 0.220 180 P C 0.620 177.924 177.300 0.008 0.000 1.806 180 P CA -0.081 63.059 63.100 0.067 0.000 0.976 180 P CB 0.535 32.294 31.700 0.099 0.000 1.952 181 A N 3.086 125.877 122.820 -0.049 0.000 1.958 181 A HA -0.259 4.061 4.320 0.001 0.000 0.221 181 A C 2.246 179.604 177.584 -0.376 0.000 1.178 181 A CA 1.963 53.881 52.037 -0.198 0.000 0.642 181 A CB -1.015 17.848 19.000 -0.229 0.000 0.816 181 A HN 0.527 nan 8.150 nan 0.000 0.453 182 Q N -0.964 118.647 119.800 -0.316 0.000 2.364 182 Q HA -0.114 4.226 4.340 0.001 0.000 0.209 182 Q C 0.360 176.321 176.000 -0.065 0.000 0.977 182 Q CA 1.383 57.048 55.803 -0.229 0.000 0.885 182 Q CB -0.356 28.390 28.738 0.014 0.000 0.941 182 Q HN 0.536 nan 8.270 nan 0.000 0.464 183 N N 0.481 119.171 118.700 -0.016 0.000 2.322 183 N HA 0.279 5.020 4.740 0.001 0.000 0.216 183 N C -0.791 174.727 175.510 0.013 0.000 1.144 183 N CA 0.264 53.343 53.050 0.049 0.000 0.830 183 N CB 0.470 39.018 38.487 0.102 0.000 1.034 183 N HN 0.246 nan 8.380 nan 0.000 0.484 184 L N -1.040 120.171 121.223 -0.020 0.000 2.371 184 L HA 0.396 4.736 4.340 0.001 0.000 0.262 184 L C 1.263 178.139 176.870 0.010 0.000 1.006 184 L CA -0.516 54.329 54.840 0.007 0.000 0.818 184 L CB 2.227 44.287 42.059 0.001 0.000 1.354 184 L HN -0.083 nan 8.230 nan 0.000 0.415 185 T N -4.171 110.433 114.554 0.083 0.000 3.000 185 T HA 0.212 4.562 4.350 0.001 0.000 0.248 185 T C 0.265 174.950 174.700 -0.024 0.000 1.034 185 T CA 0.297 62.445 62.100 0.080 0.000 1.060 185 T CB 0.026 69.025 68.868 0.219 0.000 0.983 185 T HN 0.505 nan 8.240 nan 0.000 0.482 186 H N 0.177 119.260 119.070 0.022 0.000 2.667 186 H HA 0.725 5.282 4.556 0.001 0.000 0.353 186 H C -1.594 173.717 175.328 -0.029 0.000 1.072 186 H CA -0.968 55.094 56.048 0.023 0.000 1.214 186 H CB 1.955 31.750 29.762 0.054 0.000 1.600 186 H HN 0.164 nan 8.280 nan 0.000 0.527 187 L N 3.995 125.253 121.223 0.058 0.000 2.372 187 L HA 0.497 4.837 4.340 0.001 0.000 0.274 187 L C -1.840 175.035 176.870 0.007 0.000 0.988 187 L CA -0.462 54.386 54.840 0.013 0.000 0.833 187 L CB 0.692 42.764 42.059 0.023 0.000 1.236 187 L HN 0.487 nan 8.230 nan 0.000 0.410 188 L N 4.963 126.081 121.223 -0.175 0.000 2.322 188 L HA 0.454 4.795 4.340 0.001 0.000 0.279 188 L C -0.935 175.970 176.870 0.058 0.000 1.036 188 L CA -0.392 54.322 54.840 -0.211 0.000 0.807 188 L CB 1.314 42.825 42.059 -0.913 0.000 1.226 188 L HN 0.504 nan 8.230 nan 0.000 0.433 189 Y N 0.923 121.294 120.300 0.119 0.000 2.350 189 Y HA 0.423 4.974 4.550 0.001 0.000 0.340 189 Y C 1.173 177.186 175.900 0.189 0.000 1.006 189 Y CA -0.973 57.282 58.100 0.258 0.000 1.166 189 Y CB 1.518 40.222 38.460 0.406 0.000 1.168 189 Y HN 0.708 nan 8.280 nan 0.000 0.502 190 G N 6.676 115.238 108.800 -0.398 0.000 2.524 190 G HA2 0.009 3.969 3.960 0.001 0.000 0.275 190 G HA3 0.009 3.969 3.960 0.001 0.000 0.275 190 G C -0.787 173.887 174.900 -0.376 0.000 0.634 190 G CA 0.131 44.890 45.100 -0.569 0.000 2.066 190 G HN 0.626 nan 8.290 nan 0.000 0.557 191 F N -1.838 118.221 119.950 0.182 0.000 2.144 191 F HA -0.152 4.376 4.527 0.001 0.000 0.487 191 F C 0.284 176.197 175.800 0.188 0.000 1.250 191 F CA -1.248 56.871 58.000 0.198 0.000 1.572 191 F CB -1.549 37.569 39.000 0.196 0.000 2.498 191 F HN 0.180 nan 8.300 nan 0.000 0.729 192 I N 5.787 126.577 120.570 0.367 0.000 2.365 192 I HA 0.346 4.516 4.170 0.001 0.000 0.291 192 I C -1.531 174.633 176.117 0.078 0.000 1.004 192 I CA -2.191 59.210 61.300 0.168 0.000 1.311 192 I CB 1.351 39.314 38.000 -0.061 0.000 1.401 192 I HN 0.213 nan 8.210 nan 0.000 0.491 193 P HA 0.481 nan 4.420 nan 0.000 0.287 193 P C -0.836 176.349 177.300 -0.191 0.000 1.296 193 P CA -0.574 62.441 63.100 -0.141 0.000 0.811 193 P CB 1.835 33.371 31.700 -0.273 0.000 1.211 194 I N 0.040 120.450 120.570 -0.266 0.000 2.406 194 I HA 0.226 4.397 4.170 0.001 0.000 0.290 194 I C 0.391 176.305 176.117 -0.339 0.000 0.999 194 I CA -0.872 60.261 61.300 -0.279 0.000 1.124 194 I CB 1.333 39.093 38.000 -0.400 0.000 1.289 194 I HN 0.257 nan 8.210 nan 0.000 0.441 195 c N 4.665 123.090 118.600 -0.292 0.000 2.665 195 c HA 0.530 5.101 4.570 0.001 0.000 0.416 195 c C 0.911 174.729 174.090 -0.453 0.000 1.305 195 c CA 0.289 56.432 56.329 -0.310 0.000 1.903 195 c CB -0.822 41.563 42.510 -0.207 0.000 2.704 195 c HN 1.036 nan 8.230 nan 0.000 0.629 196 G N 2.071 110.630 108.800 -0.403 0.000 2.282 196 G HA2 0.497 4.458 3.960 0.001 0.000 0.274 196 G HA3 0.497 4.458 3.960 0.001 0.000 0.274 196 G C -0.413 174.315 174.900 -0.286 0.000 1.718 196 G CA -0.047 44.794 45.100 -0.433 0.000 0.927 196 G HN 1.079 nan 8.290 nan 0.000 0.733 197 G N 0.490 109.186 108.800 -0.172 0.000 3.329 197 G HA2 0.474 4.434 3.960 0.001 0.000 0.180 197 G HA3 0.474 4.434 3.960 0.001 0.000 0.180 197 G C 0.210 175.275 174.900 0.275 0.000 1.640 197 G CA -0.559 44.561 45.100 0.034 0.000 1.018 197 G HN 0.728 nan 8.290 nan 0.000 0.581 198 N N 0.891 119.754 118.700 0.271 0.000 2.412 198 N HA 0.241 4.981 4.740 0.001 0.000 0.254 198 N C 1.264 176.789 175.510 0.026 0.000 1.232 198 N CA 1.367 54.479 53.050 0.104 0.000 0.880 198 N CB 0.897 39.415 38.487 0.051 0.000 1.076 198 N HN 1.049 nan 8.380 nan 0.000 0.458 199 G N 1.304 110.110 108.800 0.010 0.000 2.205 199 G HA2 -0.284 3.677 3.960 0.001 0.000 0.261 199 G HA3 -0.284 3.677 3.960 0.001 0.000 0.261 199 G C 0.783 175.693 174.900 0.016 0.000 0.980 199 G CA 0.523 45.644 45.100 0.035 0.000 0.632 199 G HN 0.584 nan 8.290 nan 0.000 0.533 200 I N -0.892 119.634 120.570 -0.073 0.000 3.971 200 I HA 0.235 4.406 4.170 0.001 0.000 0.303 200 I C 1.055 177.125 176.117 -0.078 0.000 1.233 200 I CA 0.231 61.403 61.300 -0.214 0.000 1.346 200 I CB 0.303 38.007 38.000 -0.493 0.000 1.273 200 I HN 0.040 nan 8.210 nan 0.000 0.448 201 N N 0.828 119.539 118.700 0.019 0.000 2.517 201 N HA 0.085 4.825 4.740 0.001 0.000 0.285 201 N C -0.029 175.563 175.510 0.137 0.000 1.528 201 N CA 0.079 53.170 53.050 0.070 0.000 0.892 201 N CB 0.593 39.108 38.487 0.047 0.000 1.356 201 N HN 0.104 nan 8.380 nan 0.000 0.495 202 D N 0.231 120.643 120.400 0.020 0.000 2.149 202 D HA -0.080 4.560 4.640 0.001 0.000 0.198 202 D C 1.475 177.726 176.300 -0.082 0.000 0.990 202 D CA 1.146 55.081 54.000 -0.108 0.000 0.839 202 D CB 0.153 40.894 40.800 -0.097 0.000 0.948 202 D HN 0.083 nan 8.370 nan 0.000 0.460 203 S N 0.349 116.022 115.700 -0.045 0.000 2.440 203 S HA -0.093 4.377 4.470 0.001 0.000 0.240 203 S C 2.003 176.605 174.600 0.003 0.000 1.014 203 S CA 0.300 58.468 58.200 -0.053 0.000 0.980 203 S CB -0.127 63.001 63.200 -0.120 0.000 0.775 203 S HN 0.307 nan 8.310 nan 0.000 0.499 204 L N 0.840 122.097 121.223 0.057 0.000 2.217 204 L HA -0.034 4.307 4.340 0.001 0.000 0.211 204 L C 2.026 178.975 176.870 0.131 0.000 1.107 204 L CA 0.989 55.913 54.840 0.139 0.000 0.783 204 L CB -0.267 41.938 42.059 0.244 0.000 0.919 204 L HN 0.263 nan 8.230 nan 0.000 0.442 205 K N -0.242 120.167 120.400 0.016 0.000 2.442 205 K HA -0.157 4.163 4.320 0.001 0.000 0.199 205 K C 1.520 178.122 176.600 0.004 0.000 1.044 205 K CA 0.667 56.919 56.287 -0.058 0.000 0.941 205 K CB 0.052 32.397 32.500 -0.259 0.000 0.759 205 K HN 0.269 nan 8.250 nan 0.000 0.472 206 E N 0.349 120.570 120.200 0.036 0.000 2.427 206 E HA -0.030 4.320 4.350 0.001 0.000 0.196 206 E C 0.385 177.033 176.600 0.080 0.000 1.028 206 E CA 0.545 56.980 56.400 0.057 0.000 0.864 206 E CB 0.227 29.976 29.700 0.081 0.000 0.813 206 E HN 0.189 nan 8.360 nan 0.000 0.514 207 I N 2.008 122.636 120.570 0.097 0.000 2.321 207 I HA 0.117 4.288 4.170 0.001 0.000 0.291 207 I C 0.498 176.669 176.117 0.090 0.000 0.998 207 I CA -1.418 59.943 61.300 0.101 0.000 1.227 207 I CB 0.832 38.907 38.000 0.124 0.000 1.368 207 I HN -0.122 nan 8.210 nan 0.000 0.466 208 E N 5.059 125.299 120.200 0.068 0.000 2.729 208 E HA 0.122 4.473 4.350 0.001 0.000 0.246 208 E C 1.357 177.990 176.600 0.055 0.000 0.984 208 E CA 1.247 57.679 56.400 0.055 0.000 0.951 208 E CB -0.038 29.686 29.700 0.039 0.000 0.914 208 E HN 0.867 nan 8.360 nan 0.000 0.509 209 G N 3.386 112.229 108.800 0.071 0.000 2.196 209 G HA2 -0.421 3.540 3.960 0.001 0.000 0.268 209 G HA3 -0.421 3.540 3.960 0.001 0.000 0.268 209 G C 1.214 176.175 174.900 0.101 0.000 0.975 209 G CA 0.974 46.118 45.100 0.074 0.000 0.648 209 G HN 0.634 nan 8.290 nan 0.000 0.538 210 S N -0.917 114.863 115.700 0.134 0.000 2.355 210 S HA 0.033 4.504 4.470 0.001 0.000 0.222 210 S C 1.969 176.749 174.600 0.300 0.000 1.031 210 S CA 1.693 60.009 58.200 0.194 0.000 0.993 210 S CB -0.281 63.042 63.200 0.205 0.000 0.859 210 S HN 0.834 nan 8.310 nan 0.000 0.453 211 F N 2.172 122.183 119.950 0.102 0.000 2.126 211 F HA -0.135 4.393 4.527 0.001 0.000 0.299 211 F C 2.204 178.033 175.800 0.048 0.000 1.096 211 F CA 1.955 59.986 58.000 0.052 0.000 1.255 211 F CB -0.530 38.479 39.000 0.016 0.000 0.997 211 F HN 0.245 nan 8.300 nan 0.000 0.479 212 Q N 0.515 120.407 119.800 0.153 0.000 2.119 212 Q HA -0.071 4.269 4.340 0.001 0.000 0.201 212 Q C 2.433 178.426 176.000 -0.013 0.000 0.972 212 Q CA 1.685 57.508 55.803 0.034 0.000 0.847 212 Q CB -0.787 28.009 28.738 0.097 0.000 0.903 212 Q HN 0.502 nan 8.270 nan 0.000 0.433 213 A N 0.425 123.281 122.820 0.060 0.000 1.933 213 A HA -0.157 4.163 4.320 0.001 0.000 0.218 213 A C 1.998 179.646 177.584 0.106 0.000 1.175 213 A CA 1.298 53.388 52.037 0.089 0.000 0.628 213 A CB -0.632 18.426 19.000 0.098 0.000 0.814 213 A HN 0.369 nan 8.150 nan 0.000 0.444 214 L N -0.604 120.654 121.223 0.059 0.000 2.056 214 L HA -0.145 4.195 4.340 0.001 0.000 0.207 214 L C 2.300 179.053 176.870 -0.195 0.000 1.078 214 L CA 2.042 56.807 54.840 -0.125 0.000 0.749 214 L CB -0.654 41.184 42.059 -0.369 0.000 0.901 214 L HN 0.324 nan 8.230 nan 0.000 0.433 215 Q N -0.302 119.320 119.800 -0.296 0.000 2.170 215 Q HA -0.214 4.126 4.340 0.001 0.000 0.203 215 Q C 2.418 178.350 176.000 -0.114 0.000 0.976 215 Q CA 1.484 57.128 55.803 -0.266 0.000 0.858 215 Q CB -0.493 28.056 28.738 -0.315 0.000 0.907 215 Q HN 0.529 nan 8.270 nan 0.000 0.433 216 R N -0.055 120.410 120.500 -0.059 0.000 2.066 216 R HA -0.074 4.267 4.340 0.001 0.000 0.232 216 R C 2.476 178.794 176.300 0.031 0.000 1.131 216 R CA 1.430 57.529 56.100 -0.002 0.000 0.955 216 R CB -0.224 30.089 30.300 0.021 0.000 0.851 216 R HN 0.192 nan 8.270 nan 0.000 0.432 217 S N -0.533 115.197 115.700 0.049 0.000 2.382 217 S HA -0.127 4.343 4.470 0.001 0.000 0.228 217 S C 1.528 176.179 174.600 0.086 0.000 1.027 217 S CA 1.183 59.443 58.200 0.100 0.000 0.991 217 S CB -0.107 63.163 63.200 0.116 0.000 0.823 217 S HN 0.553 nan 8.310 nan 0.000 0.469 218 c N 2.213 120.814 118.600 0.002 0.000 2.559 218 c HA 0.344 4.915 4.570 0.001 0.000 0.300 218 c C 0.859 174.944 174.090 -0.009 0.000 1.288 218 c CA -0.694 55.625 56.329 -0.016 0.000 1.699 218 c CB -2.120 40.327 42.510 -0.105 0.000 1.819 218 c HN 0.630 nan 8.230 nan 0.000 0.600 219 Q N 0.732 120.537 119.800 0.010 0.000 2.239 219 Q HA 0.308 4.649 4.340 0.001 0.000 0.286 219 Q C 1.287 177.300 176.000 0.022 0.000 1.102 219 Q CA 1.221 57.029 55.803 0.007 0.000 0.936 219 Q CB 0.116 28.864 28.738 0.018 0.000 1.127 219 Q HN 0.702 nan 8.270 nan 0.000 0.380 220 G N 3.714 112.520 108.800 0.010 0.000 2.155 220 G HA2 -0.335 3.625 3.960 0.001 0.000 0.257 220 G HA3 -0.335 3.625 3.960 0.001 0.000 0.257 220 G C 0.004 174.920 174.900 0.027 0.000 0.983 220 G CA 0.521 45.631 45.100 0.017 0.000 0.676 220 G HN 0.620 nan 8.290 nan 0.000 0.528 221 R N 0.567 121.081 120.500 0.024 0.000 2.589 221 R HA 0.492 4.833 4.340 0.001 0.000 0.293 221 R C 0.225 176.529 176.300 0.006 0.000 0.963 221 R CA -0.731 55.391 56.100 0.036 0.000 0.905 221 R CB 0.804 31.143 30.300 0.064 0.000 1.144 221 R HN 0.387 nan 8.270 nan 0.000 0.459 222 E N 2.036 122.248 120.200 0.020 0.000 2.392 222 E HA -0.023 4.328 4.350 0.001 0.000 0.264 222 E C -0.638 175.953 176.600 -0.015 0.000 1.024 222 E CA -0.073 56.336 56.400 0.015 0.000 0.903 222 E CB 0.572 30.299 29.700 0.044 0.000 0.963 222 E HN 0.444 nan 8.360 nan 0.000 0.432 223 D N 1.018 121.395 120.400 -0.038 0.000 2.423 223 D HA -0.022 4.619 4.640 0.001 0.000 0.238 223 D C 0.270 176.545 176.300 -0.042 0.000 1.142 223 D CA 0.399 54.290 54.000 -0.181 0.000 0.884 223 D CB 0.229 40.886 40.800 -0.238 0.000 1.199 223 D HN 0.441 nan 8.370 nan 0.000 0.438 224 F N -1.694 118.187 119.950 -0.115 0.000 2.699 224 F HA -0.272 4.255 4.527 0.001 0.000 0.343 224 F C 0.838 176.653 175.800 0.025 0.000 0.633 224 F CA 0.693 58.641 58.000 -0.087 0.000 1.365 224 F CB -1.400 37.547 39.000 -0.088 0.000 1.795 224 F HN 0.201 nan 8.300 nan 0.000 0.304 225 K N 1.284 121.728 120.400 0.074 0.000 2.098 225 K HA 0.707 5.027 4.320 0.001 0.000 0.258 225 K C 0.572 177.161 176.600 -0.018 0.000 0.973 225 K CA -0.754 55.568 56.287 0.059 0.000 0.898 225 K CB 1.746 34.271 32.500 0.042 0.000 1.057 225 K HN 0.266 nan 8.250 nan 0.000 0.447 226 I N -2.059 118.470 120.570 -0.069 0.000 3.021 226 I HA 0.388 4.558 4.170 0.001 0.000 0.303 226 I C 0.272 176.233 176.117 -0.259 0.000 1.044 226 I CA -0.108 61.090 61.300 -0.170 0.000 1.266 226 I CB 1.515 39.338 38.000 -0.294 0.000 1.447 226 I HN 0.444 nan 8.210 nan 0.000 0.593 227 S N 2.138 117.640 115.700 -0.330 0.000 2.843 227 S HA 0.641 5.112 4.470 0.001 0.000 0.301 227 S C -1.090 173.333 174.600 -0.294 0.000 1.206 227 S CA -0.861 57.041 58.200 -0.497 0.000 0.875 227 S CB 1.295 64.334 63.200 -0.269 0.000 1.248 227 S HN 0.589 nan 8.310 nan 0.000 0.555 228 I N 2.003 122.482 120.570 -0.152 0.000 2.389 228 I HA 0.354 4.524 4.170 0.001 0.000 0.288 228 I C 1.126 177.351 176.117 0.179 0.000 0.999 228 I CA -0.402 60.965 61.300 0.111 0.000 1.129 228 I CB 1.660 39.769 38.000 0.181 0.000 1.288 228 I HN 0.871 nan 8.210 nan 0.000 0.444 229 H N 3.890 123.022 119.070 0.104 0.000 2.353 229 H HA -0.113 4.443 4.556 0.001 0.000 0.300 229 H C 0.317 175.713 175.328 0.114 0.000 1.090 229 H CA 1.033 57.136 56.048 0.092 0.000 1.327 229 H CB 0.576 30.404 29.762 0.111 0.000 1.383 229 H HN 0.507 nan 8.280 nan 0.000 0.508 230 D N -1.115 119.435 120.400 0.250 0.000 2.404 230 D HA 0.130 4.770 4.640 0.001 0.000 0.267 230 D C -2.083 174.331 176.300 0.189 0.000 1.194 230 D CA -2.234 51.885 54.000 0.197 0.000 0.910 230 D CB 1.245 42.158 40.800 0.189 0.000 1.090 230 D HN 0.100 nan 8.370 nan 0.000 0.511 231 P HA -0.112 nan 4.420 nan 0.000 0.217 231 P C 1.297 178.683 177.300 0.143 0.000 1.148 231 P CA 0.617 63.801 63.100 0.141 0.000 0.828 231 P CB 0.090 31.903 31.700 0.189 0.000 0.783 232 F N 0.872 120.871 119.950 0.082 0.000 2.060 232 F HA -0.124 4.403 4.527 0.001 0.000 0.295 232 F C 2.236 178.080 175.800 0.073 0.000 1.120 232 F CA 1.671 59.724 58.000 0.089 0.000 1.205 232 F CB -1.018 38.060 39.000 0.130 0.000 0.986 232 F HN -0.140 nan 8.300 nan 0.000 0.470 233 A N 0.132 123.012 122.820 0.099 0.000 1.972 233 A HA 0.000 4.321 4.320 0.001 0.000 0.219 233 A C 2.323 179.856 177.584 -0.085 0.000 1.169 233 A CA 1.690 53.683 52.037 -0.072 0.000 0.635 233 A CB -1.479 17.572 19.000 0.085 0.000 0.810 233 A HN 0.513 nan 8.150 nan 0.000 0.446 234 A N -1.436 121.342 122.820 -0.070 0.000 1.930 234 A HA 0.314 4.635 4.320 0.001 0.000 0.215 234 A C 1.811 179.163 177.584 -0.386 0.000 1.176 234 A CA 1.432 53.317 52.037 -0.253 0.000 0.632 234 A CB -0.157 18.521 19.000 -0.537 0.000 0.819 234 A HN 0.454 nan 8.150 nan 0.000 0.445 235 L N -2.608 118.451 121.223 -0.273 0.000 3.284 235 L HA 0.141 4.482 4.340 0.001 0.000 0.294 235 L C 1.835 178.651 176.870 -0.091 0.000 1.183 235 L CA 0.243 54.984 54.840 -0.165 0.000 1.056 235 L CB 0.437 42.420 42.059 -0.127 0.000 1.513 235 L HN 0.294 nan 8.230 nan 0.000 0.601 236 Q N -0.466 119.226 119.800 -0.180 0.000 2.353 236 Q HA 0.119 4.459 4.340 0.001 0.000 0.240 236 Q C 0.550 176.310 176.000 -0.400 0.000 0.868 236 Q CA -0.085 55.617 55.803 -0.169 0.000 0.944 236 Q CB 0.969 29.741 28.738 0.057 0.000 1.104 236 Q HN 0.091 nan 8.270 nan 0.000 0.531 237 K N 1.866 121.773 120.400 -0.823 0.000 2.379 237 K HA 0.313 4.634 4.320 0.001 0.000 0.284 237 K C -0.597 175.822 176.600 -0.301 0.000 1.044 237 K CA -0.219 55.595 56.287 -0.788 0.000 0.974 237 K CB 0.625 32.581 32.500 -0.908 0.000 0.962 237 K HN 0.090 nan 8.250 nan 0.000 0.474 238 A N 4.656 127.390 122.820 -0.144 0.000 2.520 238 A HA 0.086 4.406 4.320 0.001 0.000 0.245 238 A C -0.506 177.028 177.584 -0.082 0.000 1.072 238 A CA 0.129 52.124 52.037 -0.071 0.000 0.761 238 A CB 0.358 19.356 19.000 -0.002 0.000 1.004 238 A HN 0.707 nan 8.150 nan 0.000 0.499 239 Q N 0.770 120.521 119.800 -0.081 0.000 2.456 239 Q HA 0.282 4.622 4.340 0.001 0.000 0.284 239 Q C -0.733 175.222 176.000 -0.075 0.000 1.061 239 Q CA -0.922 54.831 55.803 -0.083 0.000 0.799 239 Q CB 1.687 30.363 28.738 -0.103 0.000 1.445 239 Q HN 0.840 nan 8.270 nan 0.000 0.411 240 K N 0.101 120.455 120.400 -0.076 0.000 2.504 240 K HA 0.073 4.394 4.320 0.001 0.000 0.278 240 K C 0.782 177.331 176.600 -0.085 0.000 1.025 240 K CA 1.696 57.939 56.287 -0.073 0.000 1.093 240 K CB -0.296 32.158 32.500 -0.076 0.000 0.873 240 K HN 0.823 nan 8.250 nan 0.000 0.483 241 G N 2.011 110.764 108.800 -0.077 0.000 2.284 241 G HA2 -0.280 3.681 3.960 0.001 0.000 0.230 241 G HA3 -0.280 3.681 3.960 0.001 0.000 0.230 241 G C -0.010 174.835 174.900 -0.091 0.000 1.021 241 G CA 0.099 45.145 45.100 -0.090 0.000 0.619 241 G HN 1.057 nan 8.290 nan 0.000 0.510 242 V N -1.016 118.850 119.914 -0.082 0.000 2.464 242 V HA 0.739 4.860 4.120 0.001 0.000 0.255 242 V C 0.747 176.806 176.094 -0.060 0.000 0.946 242 V CA 0.864 63.120 62.300 -0.073 0.000 0.988 242 V CB -0.101 31.682 31.823 -0.067 0.000 1.210 242 V HN 0.919 nan 8.190 nan 0.000 0.523 243 T N -1.522 113.004 114.554 -0.047 0.000 2.990 243 T HA 0.486 4.837 4.350 0.001 0.000 0.250 243 T C 1.015 175.718 174.700 0.005 0.000 1.041 243 T CA 0.649 62.737 62.100 -0.019 0.000 1.010 243 T CB 0.485 69.347 68.868 -0.009 0.000 1.003 243 T HN 1.273 nan 8.240 nan 0.000 0.499 244 A N 3.034 125.838 122.820 -0.028 0.000 2.540 244 A HA 0.330 4.650 4.320 0.001 0.000 0.239 244 A C 1.373 178.928 177.584 -0.048 0.000 1.061 244 A CA -0.193 51.822 52.037 -0.036 0.000 0.758 244 A CB -0.254 18.665 19.000 -0.135 0.000 0.991 244 A HN 0.679 nan 8.150 nan 0.000 0.502 245 W N 2.752 124.044 121.300 -0.013 0.000 2.364 245 W HA -0.165 4.496 4.660 0.001 0.000 0.281 245 W C -0.030 176.479 176.519 -0.018 0.000 1.219 245 W CA 1.474 58.816 57.345 -0.005 0.000 1.220 245 W CB -0.470 28.992 29.460 0.003 0.000 1.127 245 W HN 0.755 nan 8.180 nan 0.000 0.556 246 D N -0.015 119.716 120.400 -1.115 0.000 2.424 246 D HA 0.014 4.654 4.640 0.001 0.000 0.220 246 D C -0.468 175.480 176.300 -0.588 0.000 1.150 246 D CA -0.282 53.049 54.000 -1.114 0.000 0.831 246 D CB -0.760 38.935 40.800 -1.841 0.000 0.981 246 D HN -0.190 nan 8.370 nan 0.000 0.500 247 D N 2.490 122.661 120.400 -0.382 0.000 2.424 247 D HA 0.047 4.687 4.640 0.001 0.000 0.244 247 D C -0.909 175.232 176.300 -0.264 0.000 1.134 247 D CA -1.317 52.520 54.000 -0.272 0.000 0.881 247 D CB 1.791 42.493 40.800 -0.164 0.000 1.191 247 D HN 0.063 nan 8.370 nan 0.000 0.445 248 P HA -0.137 nan 4.420 nan 0.000 0.216 248 P C -0.320 176.807 177.300 -0.287 0.000 1.153 248 P CA 1.112 63.928 63.100 -0.473 0.000 0.844 248 P CB 0.241 31.420 31.700 -0.868 0.000 0.787 249 Y N -0.026 120.306 120.300 0.055 0.000 2.326 249 Y HA 0.480 5.030 4.550 0.001 0.000 0.331 249 Y C 1.046 176.948 175.900 0.003 0.000 0.962 249 Y CA -1.233 56.912 58.100 0.075 0.000 1.167 249 Y CB 1.395 39.949 38.460 0.157 0.000 1.148 249 Y HN -0.185 nan 8.280 nan 0.000 0.463 250 K N 0.867 121.325 120.400 0.096 0.000 1.966 250 K HA 0.785 5.106 4.320 0.001 0.000 0.252 250 K C 0.493 177.056 176.600 -0.062 0.000 1.033 250 K CA -0.687 55.591 56.287 -0.015 0.000 1.000 250 K CB 0.823 33.287 32.500 -0.060 0.000 1.778 250 K HN 0.731 nan 8.250 nan 0.000 0.750 251 G N 1.155 109.875 108.800 -0.132 0.000 2.598 251 G HA2 -0.313 3.648 3.960 0.001 0.000 0.269 251 G HA3 -0.313 3.648 3.960 0.001 0.000 0.269 251 G C 0.342 175.190 174.900 -0.086 0.000 1.289 251 G CA 0.477 45.485 45.100 -0.154 0.000 0.926 251 G HN 0.615 nan 8.290 nan 0.000 0.567 252 N N -0.604 118.091 118.700 -0.008 0.000 2.120 252 N HA -0.067 4.674 4.740 0.001 0.000 0.188 252 N C 2.090 177.576 175.510 -0.040 0.000 1.024 252 N CA 1.937 55.021 53.050 0.057 0.000 0.852 252 N CB -0.398 38.322 38.487 0.389 0.000 1.003 252 N HN 0.411 nan 8.380 nan 0.000 0.424 253 F N 1.265 120.998 119.950 -0.362 0.000 2.134 253 F HA 0.015 4.543 4.527 0.001 0.000 0.299 253 F C 2.594 178.018 175.800 -0.628 0.000 1.097 253 F CA 0.810 58.444 58.000 -0.609 0.000 1.264 253 F CB -1.255 37.461 39.000 -0.474 0.000 1.001 253 F HN 0.070 nan 8.300 nan 0.000 0.479 254 G N -0.904 107.828 108.800 -0.113 0.000 2.418 254 G HA2 -0.236 3.724 3.960 0.001 0.000 0.217 254 G HA3 -0.236 3.724 3.960 0.001 0.000 0.217 254 G C 1.580 176.345 174.900 -0.224 0.000 1.158 254 G CA 0.571 45.620 45.100 -0.086 0.000 0.771 254 G HN 0.351 nan 8.290 nan 0.000 0.545 255 Q N -0.373 119.281 119.800 -0.243 0.000 2.119 255 Q HA 0.111 4.451 4.340 0.001 0.000 0.201 255 Q C 2.681 178.460 176.000 -0.368 0.000 0.972 255 Q CA 0.577 56.222 55.803 -0.263 0.000 0.847 255 Q CB -0.185 28.418 28.738 -0.225 0.000 0.903 255 Q HN 0.436 nan 8.270 nan 0.000 0.433 256 L N -0.045 120.850 121.223 -0.547 0.000 2.131 256 L HA -0.184 4.157 4.340 0.001 0.000 0.210 256 L C 2.396 178.825 176.870 -0.735 0.000 1.092 256 L CA 0.897 55.321 54.840 -0.694 0.000 0.759 256 L CB -0.248 41.204 42.059 -1.012 0.000 0.903 256 L HN 0.326 nan 8.230 nan 0.000 0.435 257 M N -0.854 118.256 119.600 -0.816 0.000 2.132 257 M HA -0.177 4.304 4.480 0.001 0.000 0.263 257 M C 2.482 178.611 176.300 -0.285 0.000 1.065 257 M CA 1.910 56.908 55.300 -0.503 0.000 1.122 257 M CB -0.414 31.994 32.600 -0.320 0.000 1.365 257 M HN 0.301 nan 8.290 nan 0.000 0.411 258 A N -0.057 122.598 122.820 -0.274 0.000 1.969 258 A HA -0.121 4.200 4.320 0.001 0.000 0.218 258 A C 2.049 179.525 177.584 -0.179 0.000 1.169 258 A CA 1.122 53.031 52.037 -0.212 0.000 0.635 258 A CB -0.671 18.209 19.000 -0.199 0.000 0.810 258 A HN 0.414 nan 8.150 nan 0.000 0.445 259 L N -0.456 120.654 121.223 -0.189 0.000 2.046 259 L HA -0.106 4.234 4.340 0.001 0.000 0.208 259 L C 2.155 178.990 176.870 -0.059 0.000 1.077 259 L CA 1.865 56.644 54.840 -0.103 0.000 0.747 259 L CB -0.349 41.638 42.059 -0.119 0.000 0.896 259 L HN 0.113 nan 8.230 nan 0.000 0.432 260 K N -0.495 119.846 120.400 -0.098 0.000 2.147 260 K HA -0.144 4.176 4.320 0.001 0.000 0.205 260 K C 2.070 178.634 176.600 -0.059 0.000 1.049 260 K CA 0.988 57.247 56.287 -0.046 0.000 0.936 260 K CB -0.252 32.227 32.500 -0.035 0.000 0.722 260 K HN 0.453 nan 8.250 nan 0.000 0.446 261 Q N -0.358 119.382 119.800 -0.100 0.000 2.167 261 Q HA -0.016 4.324 4.340 0.001 0.000 0.202 261 Q C 1.962 177.874 176.000 -0.146 0.000 0.970 261 Q CA 1.312 57.050 55.803 -0.109 0.000 0.855 261 Q CB -0.178 28.484 28.738 -0.125 0.000 0.911 261 Q HN 0.282 nan 8.270 nan 0.000 0.438 262 A N 0.206 122.905 122.820 -0.202 0.000 2.021 262 A HA -0.063 4.258 4.320 0.001 0.000 0.216 262 A C 0.548 177.772 177.584 -0.600 0.000 1.163 262 A CA 0.660 52.468 52.037 -0.381 0.000 0.676 262 A CB 0.016 18.764 19.000 -0.422 0.000 0.818 262 A HN 0.253 nan 8.150 nan 0.000 0.453 263 H N -1.389 117.648 119.070 -0.055 0.000 2.448 263 H HA 0.229 4.786 4.556 0.001 0.000 0.237 263 H C -2.267 173.036 175.328 -0.041 0.000 1.391 263 H CA -1.631 54.393 56.048 -0.041 0.000 1.477 263 H CB 0.716 30.454 29.762 -0.039 0.000 1.520 263 H HN 0.201 nan 8.280 nan 0.000 0.502 264 P HA -0.153 nan 4.420 nan 0.000 0.216 264 P C 0.996 178.305 177.300 0.015 0.000 1.150 264 P CA 1.282 64.386 63.100 0.007 0.000 0.843 264 P CB 0.515 32.209 31.700 -0.011 0.000 0.787 265 D N -1.397 119.021 120.400 0.030 0.000 2.349 265 D HA 0.027 4.667 4.640 0.001 0.000 0.215 265 D C 0.742 177.035 176.300 -0.012 0.000 1.016 265 D CA 0.048 54.055 54.000 0.010 0.000 0.870 265 D CB -0.171 40.640 40.800 0.019 0.000 0.917 265 D HN 0.148 nan 8.370 nan 0.000 0.524 266 L N 1.888 123.115 121.223 0.007 0.000 2.410 266 L HA 0.081 4.422 4.340 0.001 0.000 0.273 266 L C -0.045 176.787 176.870 -0.064 0.000 1.152 266 L CA -0.133 54.682 54.840 -0.040 0.000 0.855 266 L CB 0.489 42.537 42.059 -0.018 0.000 1.129 266 L HN -0.355 nan 8.230 nan 0.000 0.463 267 K N 7.429 127.730 120.400 -0.165 0.000 2.285 267 K HA 0.381 4.701 4.320 0.001 0.000 0.286 267 K C -0.678 175.922 176.600 -0.001 0.000 1.072 267 K CA 0.050 56.255 56.287 -0.136 0.000 0.913 267 K CB 0.667 32.932 32.500 -0.390 0.000 1.067 267 K HN 0.607 nan 8.250 nan 0.000 0.479 268 I N 5.251 125.886 120.570 0.107 0.000 2.330 268 I HA 0.288 4.459 4.170 0.001 0.000 0.289 268 I C -0.252 176.090 176.117 0.374 0.000 1.001 268 I CA -0.689 60.739 61.300 0.213 0.000 1.193 268 I CB 0.679 38.801 38.000 0.203 0.000 1.345 268 I HN 0.233 nan 8.210 nan 0.000 0.461 269 L N 8.529 129.943 121.223 0.319 0.000 2.365 269 L HA 0.569 4.909 4.340 0.001 0.000 0.273 269 L C -2.469 174.469 176.870 0.112 0.000 1.000 269 L CA -1.940 53.042 54.840 0.237 0.000 0.819 269 L CB 2.235 44.422 42.059 0.214 0.000 1.284 269 L HN 0.315 nan 8.230 nan 0.000 0.418 270 P HA 0.094 nan 4.420 nan 0.000 0.286 270 P C -0.840 176.489 177.300 0.048 0.000 1.269 270 P CA -0.337 62.586 63.100 -0.295 0.000 0.787 270 P CB 1.817 32.985 31.700 -0.887 0.000 0.920 271 S N 3.697 119.549 115.700 0.252 0.000 2.433 271 S HA 0.476 4.946 4.470 0.001 0.000 0.310 271 S C -0.121 174.771 174.600 0.486 0.000 1.097 271 S CA -0.810 57.645 58.200 0.425 0.000 1.103 271 S CB -0.371 63.214 63.200 0.641 0.000 0.992 271 S HN 0.238 nan 8.310 nan 0.000 0.469 272 I N 5.353 126.165 120.570 0.404 0.000 2.315 272 I HA 0.596 4.767 4.170 0.001 0.000 0.291 272 I C 1.074 177.426 176.117 0.391 0.000 1.006 272 I CA 0.062 61.576 61.300 0.357 0.000 1.265 272 I CB 0.864 39.084 38.000 0.366 0.000 1.387 272 I HN 0.965 nan 8.210 nan 0.000 0.475 273 G N 4.254 113.155 108.800 0.168 0.000 2.541 273 G HA2 0.334 4.295 3.960 0.001 0.000 0.208 273 G HA3 0.334 4.295 3.960 0.001 0.000 0.208 273 G C -0.040 174.454 174.900 -0.677 0.000 1.191 273 G CA 0.003 45.097 45.100 -0.011 0.000 1.217 273 G HN 1.469 nan 8.290 nan 0.000 0.566 274 G N -2.129 106.252 108.800 -0.698 0.000 2.603 274 G HA2 0.106 4.066 3.960 0.001 0.000 0.686 274 G HA3 0.106 4.066 3.960 0.001 0.000 0.686 274 G C 0.761 175.410 174.900 -0.419 0.000 1.286 274 G CA 0.454 44.903 45.100 -1.085 0.000 0.871 274 G HN 1.950 nan 8.290 nan 0.000 0.568 275 W N 0.193 121.241 121.300 -0.421 0.000 2.321 275 W HA -0.209 4.452 4.660 0.001 0.000 0.306 275 W C 2.359 178.777 176.519 -0.169 0.000 1.217 275 W CA 3.371 60.559 57.345 -0.263 0.000 1.257 275 W CB -0.446 28.902 29.460 -0.188 0.000 1.145 275 W HN 1.018 nan 8.180 nan 0.000 0.509 276 T N -1.810 112.710 114.554 -0.056 0.000 3.081 276 T HA 0.121 4.472 4.350 0.001 0.000 0.250 276 T C 1.318 175.954 174.700 -0.108 0.000 1.100 276 T CA 0.248 62.305 62.100 -0.072 0.000 1.038 276 T CB -0.415 68.510 68.868 0.095 0.000 0.962 276 T HN 0.126 nan 8.240 nan 0.000 0.516 277 L N 0.691 121.809 121.223 -0.174 0.000 3.168 277 L HA 0.431 4.771 4.340 0.001 0.000 0.277 277 L C 1.578 178.330 176.870 -0.197 0.000 1.245 277 L CA -0.204 54.527 54.840 -0.182 0.000 1.035 277 L CB 0.495 42.442 42.059 -0.186 0.000 1.399 277 L HN 0.120 nan 8.230 nan 0.000 0.580 278 S N -0.578 115.043 115.700 -0.131 0.000 2.503 278 S HA -0.047 4.423 4.470 0.001 0.000 0.217 278 S C 1.195 175.807 174.600 0.020 0.000 0.999 278 S CA 0.156 58.359 58.200 0.005 0.000 0.914 278 S CB 0.116 63.347 63.200 0.051 0.000 0.782 278 S HN 0.395 nan 8.310 nan 0.000 0.520 279 D N 2.289 122.732 120.400 0.072 0.000 2.149 279 D HA -0.097 4.544 4.640 0.001 0.000 0.194 279 D C -0.901 175.579 176.300 0.300 0.000 1.001 279 D CA 1.357 55.519 54.000 0.271 0.000 0.849 279 D CB -1.562 39.324 40.800 0.143 0.000 0.939 279 D HN 0.325 nan 8.370 nan 0.000 0.449 280 P HA -0.104 nan 4.420 nan 0.000 0.218 280 P C 1.183 178.453 177.300 -0.050 0.000 1.148 280 P CA 0.756 63.851 63.100 -0.008 0.000 0.822 280 P CB -0.105 31.332 31.700 -0.440 0.000 0.784 281 F N -1.926 117.710 119.950 -0.524 0.000 2.202 281 F HA -0.116 4.412 4.527 0.001 0.000 0.301 281 F C 1.786 176.929 175.800 -1.094 0.000 1.082 281 F CA 1.172 58.443 58.000 -1.214 0.000 1.313 281 F CB -1.482 36.080 39.000 -2.397 0.000 1.024 281 F HN -0.116 nan 8.300 nan 0.000 0.495 282 F N -1.963 117.842 119.950 -0.241 0.000 2.641 282 F HA -0.088 4.439 4.527 0.001 0.000 0.298 282 F C 1.494 177.116 175.800 -0.296 0.000 1.146 282 F CA 0.717 58.640 58.000 -0.129 0.000 1.464 282 F CB -1.020 37.886 39.000 -0.157 0.000 1.101 282 F HN -0.091 nan 8.300 nan 0.000 0.585 283 F N -1.664 118.303 119.950 0.029 0.000 2.678 283 F HA 0.176 4.704 4.527 0.001 0.000 0.305 283 F C 1.735 177.396 175.800 -0.231 0.000 1.090 283 F CA 0.089 58.044 58.000 -0.074 0.000 1.272 283 F CB -0.421 38.518 39.000 -0.102 0.000 1.060 283 F HN -0.123 nan 8.300 nan 0.000 0.576 284 M N 0.001 119.549 119.600 -0.087 0.000 2.682 284 M HA 0.067 4.547 4.480 0.001 0.000 0.235 284 M C 2.157 178.428 176.300 -0.048 0.000 1.114 284 M CA 0.490 55.709 55.300 -0.134 0.000 1.053 284 M CB -0.534 31.952 32.600 -0.190 0.000 1.599 284 M HN 0.269 nan 8.290 nan 0.000 0.520 285 G N 0.136 108.933 108.800 -0.005 0.000 2.471 285 G HA2 -0.165 3.795 3.960 0.001 0.000 0.219 285 G HA3 -0.165 3.795 3.960 0.001 0.000 0.219 285 G C 0.358 175.254 174.900 -0.005 0.000 1.125 285 G CA 0.239 45.353 45.100 0.024 0.000 0.775 285 G HN 0.369 nan 8.290 nan 0.000 0.548 286 D N 0.191 120.567 120.400 -0.039 0.000 2.352 286 D HA 0.122 4.762 4.640 0.001 0.000 0.245 286 D C 1.440 177.701 176.300 -0.065 0.000 1.224 286 D CA -0.329 53.638 54.000 -0.055 0.000 0.879 286 D CB 0.889 41.636 40.800 -0.088 0.000 1.057 286 D HN 0.153 nan 8.370 nan 0.000 0.491 287 K N 2.620 123.001 120.400 -0.032 0.000 2.218 287 K HA -0.127 4.193 4.320 0.001 0.000 0.205 287 K C 1.519 178.104 176.600 -0.026 0.000 1.046 287 K CA 0.943 57.219 56.287 -0.019 0.000 0.933 287 K CB 0.212 32.710 32.500 -0.004 0.000 0.728 287 K HN 0.329 nan 8.250 nan 0.000 0.454 288 V N 1.393 121.283 119.914 -0.041 0.000 2.343 288 V HA -0.261 3.859 4.120 0.001 0.000 0.247 288 V C 2.081 178.142 176.094 -0.056 0.000 1.051 288 V CA 1.910 64.187 62.300 -0.038 0.000 1.036 288 V CB -0.340 31.459 31.823 -0.041 0.000 0.654 288 V HN 0.360 nan 8.190 nan 0.000 0.451 289 K N -0.331 119.988 120.400 -0.135 0.000 2.062 289 K HA -0.125 4.196 4.320 0.001 0.000 0.205 289 K C 2.398 178.957 176.600 -0.068 0.000 1.051 289 K CA 1.123 57.280 56.287 -0.216 0.000 0.941 289 K CB -0.211 31.905 32.500 -0.640 0.000 0.719 289 K HN 0.256 nan 8.250 nan 0.000 0.440 290 R N 1.233 121.702 120.500 -0.052 0.000 2.081 290 R HA -0.156 4.184 4.340 0.001 0.000 0.235 290 R C 1.481 177.855 176.300 0.122 0.000 1.131 290 R CA 1.815 57.947 56.100 0.053 0.000 0.960 290 R CB -0.002 30.314 30.300 0.027 0.000 0.856 290 R HN 0.136 nan 8.270 nan 0.000 0.436 291 D N -0.353 120.083 120.400 0.059 0.000 2.117 291 D HA -0.175 4.465 4.640 0.001 0.000 0.197 291 D C 1.846 178.180 176.300 0.058 0.000 0.987 291 D CA 1.002 55.032 54.000 0.050 0.000 0.829 291 D CB -0.206 40.608 40.800 0.023 0.000 0.961 291 D HN 0.226 nan 8.370 nan 0.000 0.460 292 R N -0.379 120.162 120.500 0.069 0.000 2.073 292 R HA -0.162 4.178 4.340 0.001 0.000 0.234 292 R C 2.310 178.675 176.300 0.108 0.000 1.134 292 R CA 0.974 57.121 56.100 0.079 0.000 0.952 292 R CB -0.494 29.862 30.300 0.093 0.000 0.850 292 R HN 0.152 nan 8.270 nan 0.000 0.433 293 F N 0.948 120.905 119.950 0.010 0.000 2.069 293 F HA -0.221 4.306 4.527 0.001 0.000 0.298 293 F C 1.960 177.755 175.800 -0.008 0.000 1.113 293 F CA 1.697 59.696 58.000 -0.002 0.000 1.214 293 F CB -0.642 38.352 39.000 -0.009 0.000 0.978 293 F HN -0.187 nan 8.300 nan 0.000 0.474 294 V N 0.781 120.650 119.914 -0.075 0.000 2.332 294 V HA -0.278 3.842 4.120 0.001 0.000 0.248 294 V C 2.792 178.783 176.094 -0.173 0.000 1.055 294 V CA 2.036 64.227 62.300 -0.181 0.000 1.038 294 V CB -1.777 30.042 31.823 -0.006 0.000 0.651 294 V HN 0.592 nan 8.190 nan 0.000 0.450 295 G N 0.094 108.845 108.800 -0.083 0.000 2.442 295 G HA2 -0.285 3.676 3.960 0.001 0.000 0.219 295 G HA3 -0.285 3.676 3.960 0.001 0.000 0.219 295 G C 1.847 176.706 174.900 -0.068 0.000 1.141 295 G CA 1.398 46.464 45.100 -0.057 0.000 0.763 295 G HN 0.662 nan 8.290 nan 0.000 0.554 296 S N 0.032 115.677 115.700 -0.093 0.000 2.428 296 S HA -0.015 4.456 4.470 0.001 0.000 0.230 296 S C 2.240 176.788 174.600 -0.088 0.000 1.014 296 S CA 1.161 59.327 58.200 -0.057 0.000 0.957 296 S CB -0.176 62.996 63.200 -0.047 0.000 0.784 296 S HN 0.096 nan 8.310 nan 0.000 0.499 297 V N 2.338 122.094 119.914 -0.263 0.000 2.358 297 V HA -0.121 4.000 4.120 0.001 0.000 0.246 297 V C 2.762 178.819 176.094 -0.062 0.000 1.047 297 V CA 2.068 64.222 62.300 -0.244 0.000 1.035 297 V CB -0.739 30.824 31.823 -0.433 0.000 0.658 297 V HN 0.566 nan 8.190 nan 0.000 0.452 298 K N 0.287 120.631 120.400 -0.093 0.000 2.026 298 K HA -0.262 4.059 4.320 0.001 0.000 0.208 298 K C 2.258 178.844 176.600 -0.023 0.000 1.048 298 K CA 2.065 58.305 56.287 -0.078 0.000 0.929 298 K CB -0.164 32.285 32.500 -0.086 0.000 0.713 298 K HN 0.568 nan 8.250 nan 0.000 0.439 299 E N -0.308 119.897 120.200 0.009 0.000 2.085 299 E HA -0.227 4.124 4.350 0.001 0.000 0.194 299 E C 1.896 178.541 176.600 0.075 0.000 0.994 299 E CA 1.210 57.627 56.400 0.028 0.000 0.801 299 E CB -0.229 29.502 29.700 0.052 0.000 0.743 299 E HN 0.368 nan 8.360 nan 0.000 0.453 300 F N 1.162 121.122 119.950 0.017 0.000 2.095 300 F HA -0.189 4.339 4.527 0.001 0.000 0.298 300 F C 1.932 177.803 175.800 0.119 0.000 1.104 300 F CA 1.492 59.575 58.000 0.139 0.000 1.232 300 F CB -0.117 38.962 39.000 0.131 0.000 0.987 300 F HN 0.014 nan 8.300 nan 0.000 0.475 301 L N -0.304 121.036 121.223 0.194 0.000 2.141 301 L HA -0.212 4.129 4.340 0.001 0.000 0.209 301 L C 2.394 179.237 176.870 -0.044 0.000 1.094 301 L CA 1.233 56.115 54.840 0.070 0.000 0.763 301 L CB -0.736 41.318 42.059 -0.008 0.000 0.908 301 L HN 0.247 nan 8.230 nan 0.000 0.437 302 Q N -0.921 118.833 119.800 -0.078 0.000 2.172 302 Q HA -0.132 4.208 4.340 0.001 0.000 0.200 302 Q C 2.108 177.994 176.000 -0.191 0.000 0.964 302 Q CA 1.719 57.463 55.803 -0.099 0.000 0.855 302 Q CB -0.038 28.649 28.738 -0.085 0.000 0.918 302 Q HN 0.454 nan 8.270 nan 0.000 0.444 303 T N -0.462 113.896 114.554 -0.328 0.000 2.809 303 T HA -0.084 4.267 4.350 0.001 0.000 0.260 303 T C -0.168 174.055 174.700 -0.796 0.000 1.039 303 T CA 0.744 62.455 62.100 -0.648 0.000 1.141 303 T CB -0.058 68.259 68.868 -0.919 0.000 0.869 303 T HN 0.309 nan 8.240 nan 0.000 0.437 304 W N 2.554 123.649 121.300 -0.342 0.000 2.296 304 W HA 0.468 5.128 4.660 0.001 0.000 0.333 304 W C 0.878 177.110 176.519 -0.479 0.000 0.931 304 W CA -1.062 55.995 57.345 -0.479 0.000 1.538 304 W CB 0.293 29.305 29.460 -0.747 0.000 1.417 304 W HN 0.027 nan 8.180 nan 0.000 0.380 305 K N 1.162 121.497 120.400 -0.109 0.000 2.280 305 K HA -0.169 4.152 4.320 0.001 0.000 0.202 305 K C 1.560 178.129 176.600 -0.053 0.000 1.047 305 K CA 1.283 57.544 56.287 -0.044 0.000 0.942 305 K CB -0.217 32.289 32.500 0.011 0.000 0.739 305 K HN 0.567 nan 8.250 nan 0.000 0.457 306 F N -0.366 119.503 119.950 -0.135 0.000 2.502 306 F HA 0.104 4.632 4.527 0.001 0.000 0.298 306 F C 0.386 176.063 175.800 -0.206 0.000 1.111 306 F CA -0.291 57.574 58.000 -0.226 0.000 1.445 306 F CB -0.536 38.234 39.000 -0.384 0.000 1.081 306 F HN -0.288 nan 8.300 nan 0.000 0.558 307 F N 2.279 121.899 119.950 -0.549 0.000 2.429 307 F HA 0.191 4.718 4.527 0.001 0.000 0.348 307 F C 1.132 176.933 175.800 0.001 0.000 1.109 307 F CA -0.997 56.837 58.000 -0.276 0.000 1.232 307 F CB 0.342 39.139 39.000 -0.338 0.000 1.157 307 F HN 0.023 nan 8.300 nan 0.000 0.564 308 D N 1.733 122.319 120.400 0.309 0.000 2.388 308 D HA 0.325 4.966 4.640 0.001 0.000 0.221 308 D C 1.028 177.542 176.300 0.357 0.000 1.133 308 D CA 0.448 54.603 54.000 0.258 0.000 0.831 308 D CB 0.601 41.484 40.800 0.138 0.000 0.962 308 D HN 0.749 nan 8.370 nan 0.000 0.502 309 G N -0.185 108.822 108.800 0.345 0.000 2.384 309 G HA2 0.168 4.128 3.960 0.001 0.000 0.150 309 G HA3 0.168 4.128 3.960 0.001 0.000 0.150 309 G C -1.776 173.203 174.900 0.132 0.000 1.269 309 G CA -0.035 45.221 45.100 0.261 0.000 1.094 309 G HN 0.202 nan 8.290 nan 0.000 0.467 310 V N 0.405 120.393 119.914 0.125 0.000 3.000 310 V HA 0.661 4.782 4.120 0.001 0.000 0.300 310 V C -2.085 174.107 176.094 0.163 0.000 1.251 310 V CA -0.046 62.306 62.300 0.087 0.000 0.972 310 V CB 2.107 33.947 31.823 0.029 0.000 1.065 310 V HN 1.161 nan 8.190 nan 0.000 0.431 311 D N 5.115 125.636 120.400 0.201 0.000 2.278 311 D HA 0.535 5.176 4.640 0.001 0.000 0.245 311 D C -0.889 175.598 176.300 0.312 0.000 1.052 311 D CA -0.384 53.795 54.000 0.298 0.000 0.834 311 D CB 1.385 42.407 40.800 0.369 0.000 1.194 311 D HN 0.416 nan 8.370 nan 0.000 0.481 312 I N 3.378 124.123 120.570 0.291 0.000 2.339 312 I HA 0.215 4.386 4.170 0.001 0.000 0.290 312 I C -0.275 175.995 176.117 0.256 0.000 0.994 312 I CA -0.512 60.944 61.300 0.259 0.000 1.191 312 I CB 1.319 39.395 38.000 0.128 0.000 1.343 312 I HN 0.462 nan 8.210 nan 0.000 0.458 313 D N 7.197 127.751 120.400 0.257 0.000 2.517 313 D HA 0.056 4.697 4.640 0.001 0.000 0.301 313 D C -0.698 175.657 176.300 0.090 0.000 1.202 313 D CA -0.361 53.767 54.000 0.214 0.000 0.910 313 D CB 0.313 41.293 40.800 0.300 0.000 1.021 313 D HN 0.316 nan 8.370 nan 0.000 0.499 314 W N 3.556 124.647 121.300 -0.348 0.000 2.481 314 W HA 0.252 4.913 4.660 0.001 0.000 0.320 314 W C -0.362 175.948 176.519 -0.348 0.000 1.209 314 W CA -0.807 56.181 57.345 -0.594 0.000 1.400 314 W CB 0.250 29.159 29.460 -0.919 0.000 1.361 314 W HN 0.210 nan 8.180 nan 0.000 0.456 315 E N 7.923 128.117 120.200 -0.009 0.000 1.802 315 E HA 0.076 4.427 4.350 0.001 0.000 0.265 315 E C -0.842 175.293 176.600 -0.776 0.000 1.168 315 E CA -0.204 55.773 56.400 -0.704 0.000 1.033 315 E CB -0.518 28.706 29.700 -0.793 0.000 1.095 315 E HN 0.273 nan 8.360 nan 0.000 0.436 316 F N -1.077 118.830 119.950 -0.071 0.000 2.155 316 F HA -0.127 4.400 4.527 0.001 0.000 0.483 316 F C -2.544 172.978 175.800 -0.464 0.000 1.244 316 F CA -1.239 56.607 58.000 -0.256 0.000 1.560 316 F CB -1.760 37.206 39.000 -0.057 0.000 2.469 316 F HN 0.332 nan 8.300 nan 0.000 0.732 317 P HA 0.432 nan 4.420 nan 0.000 0.271 317 P C 0.970 178.117 177.300 -0.256 0.000 1.226 317 P CA 1.832 64.326 63.100 -1.011 0.000 0.765 317 P CB 1.098 32.074 31.700 -1.207 0.000 0.835 318 G N 2.100 110.926 108.800 0.043 0.000 2.238 318 G HA2 0.095 4.055 3.960 0.001 0.000 0.217 318 G HA3 0.095 4.055 3.960 0.001 0.000 0.217 318 G C 0.511 175.489 174.900 0.130 0.000 0.996 318 G CA 0.148 45.284 45.100 0.059 0.000 0.632 318 G HN 0.988 nan 8.290 nan 0.000 0.503 319 G N -0.012 108.964 108.800 0.292 0.000 2.512 319 G HA2 0.315 4.275 3.960 0.001 0.000 0.210 319 G HA3 0.315 4.275 3.960 0.001 0.000 0.210 319 G C 0.443 175.462 174.900 0.198 0.000 1.295 319 G CA 0.583 45.767 45.100 0.140 0.000 0.934 319 G HN 1.469 nan 8.290 nan 0.000 0.554 320 K N -1.682 118.777 120.400 0.098 0.000 3.391 320 K HA -0.137 4.183 4.320 0.001 0.000 0.307 320 K C 1.124 177.900 176.600 0.293 0.000 1.304 320 K CA 2.353 58.740 56.287 0.166 0.000 0.904 320 K CB -1.965 30.628 32.500 0.155 0.000 1.293 320 K HN 1.853 nan 8.250 nan 0.000 0.470 321 G N -0.071 108.781 108.800 0.086 0.000 2.714 321 G HA2 0.526 4.487 3.960 0.001 0.000 0.197 321 G HA3 0.526 4.487 3.960 0.001 0.000 0.197 321 G C 1.186 175.656 174.900 -0.716 0.000 1.449 321 G CA 0.246 45.127 45.100 -0.365 0.000 1.065 321 G HN 0.165 nan 8.290 nan 0.000 0.575 322 A N -0.738 121.303 122.820 -1.299 0.000 1.930 322 A HA 0.037 4.357 4.320 0.001 0.000 0.217 322 A C 1.448 178.833 177.584 -0.332 0.000 1.175 322 A CA 0.959 52.470 52.037 -0.878 0.000 0.627 322 A CB -0.414 17.954 19.000 -1.052 0.000 0.815 322 A HN 0.425 nan 8.150 nan 0.000 0.443 323 N N 0.415 118.928 118.700 -0.311 0.000 2.420 323 N HA 0.188 4.929 4.740 0.001 0.000 0.249 323 N C -1.982 173.409 175.510 -0.199 0.000 1.033 323 N CA -1.763 51.161 53.050 -0.211 0.000 0.944 323 N CB 1.474 39.832 38.487 -0.215 0.000 1.113 323 N HN 0.122 nan 8.380 nan 0.000 0.502 324 P HA 0.005 nan 4.420 nan 0.000 0.233 324 P C -0.036 177.193 177.300 -0.118 0.000 1.167 324 P CA 0.719 63.764 63.100 -0.092 0.000 0.770 324 P CB 0.563 32.240 31.700 -0.039 0.000 0.837 325 N N -0.297 118.316 118.700 -0.145 0.000 2.235 325 N HA 0.175 4.916 4.740 0.001 0.000 0.209 325 N C 0.447 175.820 175.510 -0.227 0.000 1.122 325 N CA 0.202 53.166 53.050 -0.143 0.000 0.845 325 N CB 0.753 39.183 38.487 -0.094 0.000 1.004 325 N HN 0.284 nan 8.380 nan 0.000 0.499 326 L N -0.482 120.515 121.223 -0.376 0.000 2.323 326 L HA 0.741 5.082 4.340 0.001 0.000 0.265 326 L C 0.269 176.734 176.870 -0.675 0.000 1.012 326 L CA -0.845 53.609 54.840 -0.643 0.000 0.820 326 L CB 2.224 43.628 42.059 -1.093 0.000 1.334 326 L HN 0.044 nan 8.230 nan 0.000 0.427 327 G N 0.871 109.353 108.800 -0.530 0.000 2.931 327 G HA2 0.278 4.238 3.960 0.001 0.000 0.675 327 G HA3 0.278 4.238 3.960 0.001 0.000 0.675 327 G C -1.036 173.865 174.900 0.002 0.000 1.339 327 G CA -0.226 44.810 45.100 -0.107 0.000 0.866 327 G HN 0.868 nan 8.290 nan 0.000 0.616 328 S N 1.963 117.725 115.700 0.103 0.000 2.579 328 S HA 0.848 5.319 4.470 0.001 0.000 0.272 328 S C -2.344 172.281 174.600 0.042 0.000 1.141 328 S CA -1.065 57.164 58.200 0.049 0.000 0.843 328 S CB 2.670 65.898 63.200 0.047 0.000 1.122 328 S HN 0.291 nan 8.310 nan 0.000 0.468 329 P HA -0.038 nan 4.420 nan 0.000 0.228 329 P C 1.129 178.427 177.300 -0.004 0.000 1.151 329 P CA 0.823 63.919 63.100 -0.006 0.000 0.770 329 P CB 0.095 31.789 31.700 -0.010 0.000 0.786 330 Q N -0.299 119.514 119.800 0.021 0.000 2.389 330 Q HA -0.108 4.233 4.340 0.001 0.000 0.204 330 Q C 1.064 177.096 176.000 0.053 0.000 0.944 330 Q CA 0.686 56.508 55.803 0.031 0.000 0.908 330 Q CB -0.228 28.535 28.738 0.041 0.000 1.002 330 Q HN 0.124 nan 8.270 nan 0.000 0.493 331 D N 0.420 120.861 120.400 0.069 0.000 2.158 331 D HA -0.168 4.472 4.640 0.001 0.000 0.197 331 D C 1.677 177.927 176.300 -0.083 0.000 0.995 331 D CA 1.518 55.560 54.000 0.070 0.000 0.846 331 D CB -0.540 40.250 40.800 -0.018 0.000 0.941 331 D HN 0.499 nan 8.370 nan 0.000 0.456 332 G N 0.618 109.336 108.800 -0.136 0.000 2.440 332 G HA2 -0.320 3.641 3.960 0.001 0.000 0.218 332 G HA3 -0.320 3.641 3.960 0.001 0.000 0.218 332 G C 1.460 176.324 174.900 -0.060 0.000 1.154 332 G CA 0.912 45.904 45.100 -0.180 0.000 0.767 332 G HN 0.362 nan 8.290 nan 0.000 0.552 333 E N -0.185 120.008 120.200 -0.012 0.000 2.106 333 E HA -0.106 4.244 4.350 0.001 0.000 0.192 333 E C 2.538 179.181 176.600 0.072 0.000 0.984 333 E CA 1.348 57.761 56.400 0.021 0.000 0.806 333 E CB -0.120 29.589 29.700 0.016 0.000 0.750 333 E HN 0.362 nan 8.360 nan 0.000 0.458 334 T N 0.277 114.903 114.554 0.120 0.000 2.720 334 T HA -0.218 4.133 4.350 0.001 0.000 0.268 334 T C 1.472 176.314 174.700 0.237 0.000 1.037 334 T CA 1.553 63.763 62.100 0.184 0.000 1.144 334 T CB -0.574 68.468 68.868 0.290 0.000 0.864 334 T HN 0.354 nan 8.240 nan 0.000 0.444 335 Y N 1.803 122.182 120.300 0.132 0.000 2.128 335 Y HA -0.198 4.352 4.550 0.001 0.000 0.284 335 Y C 2.324 178.236 175.900 0.020 0.000 1.154 335 Y CA 1.058 59.210 58.100 0.087 0.000 1.149 335 Y CB -0.579 37.768 38.460 -0.188 0.000 0.976 335 Y HN -0.021 nan 8.280 nan 0.000 0.505 336 V N 0.445 120.445 119.914 0.143 0.000 2.343 336 V HA -0.322 3.798 4.120 0.001 0.000 0.247 336 V C 2.447 178.538 176.094 -0.005 0.000 1.051 336 V CA 1.990 64.319 62.300 0.049 0.000 1.036 336 V CB -0.779 31.072 31.823 0.047 0.000 0.654 336 V HN 0.453 nan 8.190 nan 0.000 0.451 337 L N -0.838 120.398 121.223 0.021 0.000 2.046 337 L HA -0.186 4.154 4.340 0.001 0.000 0.208 337 L C 2.463 179.338 176.870 0.007 0.000 1.077 337 L CA 1.311 56.162 54.840 0.018 0.000 0.747 337 L CB -0.571 41.508 42.059 0.034 0.000 0.896 337 L HN 0.346 nan 8.230 nan 0.000 0.432 338 L N -0.570 120.654 121.223 0.002 0.000 1.989 338 L HA -0.243 4.097 4.340 0.001 0.000 0.211 338 L C 2.542 179.391 176.870 -0.035 0.000 1.071 338 L CA 1.904 56.748 54.840 0.008 0.000 0.749 338 L CB -0.435 41.629 42.059 0.008 0.000 0.890 338 L HN 0.155 nan 8.230 nan 0.000 0.431 339 M N -0.578 118.935 119.600 -0.146 0.000 2.108 339 M HA -0.236 4.245 4.480 0.001 0.000 0.261 339 M C 2.288 178.561 176.300 -0.045 0.000 1.066 339 M CA 1.659 56.882 55.300 -0.129 0.000 1.107 339 M CB -1.177 31.302 32.600 -0.202 0.000 1.356 339 M HN 0.296 nan 8.290 nan 0.000 0.406 340 K N 0.124 120.506 120.400 -0.030 0.000 2.026 340 K HA -0.164 4.157 4.320 0.001 0.000 0.208 340 K C 1.977 178.577 176.600 0.000 0.000 1.048 340 K CA 1.417 57.699 56.287 -0.008 0.000 0.929 340 K CB -0.066 32.433 32.500 -0.001 0.000 0.713 340 K HN 0.404 nan 8.250 nan 0.000 0.439 341 E N 0.668 120.872 120.200 0.006 0.000 2.106 341 E HA -0.139 4.212 4.350 0.001 0.000 0.192 341 E C 2.004 178.609 176.600 0.008 0.000 0.984 341 E CA 0.795 57.203 56.400 0.013 0.000 0.806 341 E CB 0.024 29.740 29.700 0.028 0.000 0.750 341 E HN 0.191 nan 8.360 nan 0.000 0.458 342 L N 0.411 121.642 121.223 0.013 0.000 2.046 342 L HA -0.186 4.154 4.340 0.001 0.000 0.208 342 L C 2.628 179.493 176.870 -0.009 0.000 1.077 342 L CA 1.034 55.874 54.840 0.001 0.000 0.747 342 L CB -0.234 41.839 42.059 0.022 0.000 0.896 342 L HN 0.042 nan 8.230 nan 0.000 0.432 343 R N 0.537 121.037 120.500 0.000 0.000 2.081 343 R HA -0.138 4.202 4.340 0.001 0.000 0.235 343 R C 2.225 178.528 176.300 0.005 0.000 1.131 343 R CA 1.635 57.739 56.100 0.007 0.000 0.960 343 R CB -0.491 29.814 30.300 0.008 0.000 0.856 343 R HN 0.309 nan 8.270 nan 0.000 0.436 344 A N 0.747 123.568 122.820 0.001 0.000 1.902 344 A HA -0.155 4.165 4.320 0.001 0.000 0.217 344 A C 2.202 179.780 177.584 -0.010 0.000 1.181 344 A CA 1.612 53.649 52.037 0.000 0.000 0.623 344 A CB -0.642 18.359 19.000 0.001 0.000 0.818 344 A HN 0.492 nan 8.150 nan 0.000 0.443 345 M N -0.105 119.482 119.600 -0.023 0.000 2.117 345 M HA -0.078 4.403 4.480 0.001 0.000 0.262 345 M C 1.869 178.126 176.300 -0.073 0.000 1.065 345 M CA 1.735 57.007 55.300 -0.047 0.000 1.114 345 M CB -0.807 31.756 32.600 -0.062 0.000 1.361 345 M HN 0.424 nan 8.290 nan 0.000 0.408 346 L N -0.071 121.111 121.223 -0.069 0.000 2.141 346 L HA -0.206 4.135 4.340 0.001 0.000 0.209 346 L C 2.029 178.902 176.870 0.005 0.000 1.094 346 L CA 0.936 55.719 54.840 -0.096 0.000 0.763 346 L CB -0.865 41.175 42.059 -0.031 0.000 0.908 346 L HN 0.232 nan 8.230 nan 0.000 0.437 347 D N -0.346 120.071 120.400 0.028 0.000 2.144 347 D HA -0.213 4.428 4.640 0.001 0.000 0.200 347 D C 2.128 178.453 176.300 0.042 0.000 0.978 347 D CA 1.022 55.054 54.000 0.053 0.000 0.833 347 D CB -0.028 40.793 40.800 0.035 0.000 0.961 347 D HN 0.218 nan 8.370 nan 0.000 0.470 348 Q N 0.652 120.458 119.800 0.010 0.000 2.084 348 Q HA -0.128 4.213 4.340 0.001 0.000 0.202 348 Q C 2.030 178.034 176.000 0.007 0.000 0.978 348 Q CA 0.979 56.784 55.803 0.004 0.000 0.844 348 Q CB -0.575 28.154 28.738 -0.014 0.000 0.898 348 Q HN 0.233 nan 8.270 nan 0.000 0.426 349 L N -0.114 121.093 121.223 -0.026 0.000 2.046 349 L HA -0.078 4.263 4.340 0.001 0.000 0.208 349 L C 2.163 179.118 176.870 0.140 0.000 1.077 349 L CA 2.007 56.824 54.840 -0.038 0.000 0.747 349 L CB -0.887 40.991 42.059 -0.301 0.000 0.896 349 L HN 0.177 nan 8.230 nan 0.000 0.432 350 S N -0.356 115.479 115.700 0.225 0.000 2.383 350 S HA -0.172 4.299 4.470 0.001 0.000 0.229 350 S C 2.057 176.736 174.600 0.130 0.000 1.030 350 S CA 1.113 59.471 58.200 0.262 0.000 1.002 350 S CB -0.540 62.782 63.200 0.204 0.000 0.829 350 S HN 0.654 nan 8.310 nan 0.000 0.467 351 A N 1.180 124.051 122.820 0.086 0.000 2.070 351 A HA -0.120 4.200 4.320 0.001 0.000 0.220 351 A C 1.912 179.524 177.584 0.048 0.000 1.159 351 A CA 1.304 53.373 52.037 0.053 0.000 0.656 351 A CB -0.328 18.694 19.000 0.036 0.000 0.800 351 A HN 0.614 nan 8.150 nan 0.000 0.453 352 E N -1.080 119.154 120.200 0.057 0.000 2.140 352 E HA -0.058 4.292 4.350 0.001 0.000 0.191 352 E C 1.947 178.581 176.600 0.056 0.000 0.973 352 E CA 1.283 57.709 56.400 0.045 0.000 0.829 352 E CB -0.096 29.623 29.700 0.032 0.000 0.781 352 E HN 0.747 nan 8.360 nan 0.000 0.466 353 T N -3.305 111.305 114.554 0.093 0.000 2.990 353 T HA 0.285 4.636 4.350 0.001 0.000 0.250 353 T C 1.637 176.372 174.700 0.058 0.000 1.041 353 T CA 0.413 62.567 62.100 0.089 0.000 1.010 353 T CB 0.752 69.713 68.868 0.155 0.000 1.003 353 T HN 0.256 nan 8.240 nan 0.000 0.499 354 G N 1.871 110.706 108.800 0.059 0.000 2.162 354 G HA2 -0.266 3.694 3.960 0.001 0.000 0.260 354 G HA3 -0.266 3.694 3.960 0.001 0.000 0.260 354 G C 0.161 175.048 174.900 -0.022 0.000 0.976 354 G CA 0.183 45.296 45.100 0.022 0.000 0.655 354 G HN 0.710 nan 8.290 nan 0.000 0.533 355 R N -0.270 120.194 120.500 -0.061 0.000 2.596 355 R HA 0.616 4.957 4.340 0.001 0.000 0.267 355 R C -0.137 175.944 176.300 -0.364 0.000 1.026 355 R CA -0.755 55.193 56.100 -0.252 0.000 1.087 355 R CB 0.653 30.699 30.300 -0.423 0.000 1.132 355 R HN -0.016 nan 8.270 nan 0.000 0.531 356 K N 1.891 122.050 120.400 -0.403 0.000 2.185 356 K HA 0.320 4.641 4.320 0.001 0.000 0.269 356 K C -1.028 175.316 176.600 -0.426 0.000 0.987 356 K CA -0.390 55.736 56.287 -0.268 0.000 0.865 356 K CB 1.156 33.588 32.500 -0.113 0.000 1.090 356 K HN 0.443 nan 8.250 nan 0.000 0.450 357 Y N 0.194 120.518 120.300 0.039 0.000 2.485 357 Y HA 0.330 4.880 4.550 0.001 0.000 0.345 357 Y C 0.440 176.375 175.900 0.059 0.000 0.998 357 Y CA -0.819 57.313 58.100 0.052 0.000 1.059 357 Y CB 2.024 40.511 38.460 0.046 0.000 1.234 357 Y HN 0.458 nan 8.280 nan 0.000 0.461 358 E N 1.855 122.203 120.200 0.246 0.000 2.202 358 E HA 0.534 4.884 4.350 0.001 0.000 0.272 358 E C -1.689 175.017 176.600 0.177 0.000 0.951 358 E CA -1.116 55.397 56.400 0.189 0.000 0.813 358 E CB 2.295 32.139 29.700 0.240 0.000 1.151 358 E HN 0.354 nan 8.360 nan 0.000 0.398 359 L N 2.328 123.622 121.223 0.118 0.000 2.372 359 L HA 0.444 4.785 4.340 0.001 0.000 0.274 359 L C -0.755 176.167 176.870 0.085 0.000 0.988 359 L CA -0.031 54.869 54.840 0.100 0.000 0.833 359 L CB 1.494 43.587 42.059 0.057 0.000 1.236 359 L HN 0.670 nan 8.230 nan 0.000 0.410 360 T N 0.779 115.418 114.554 0.142 0.000 2.887 360 T HA 0.860 5.211 4.350 0.001 0.000 0.292 360 T C -0.648 174.166 174.700 0.189 0.000 1.087 360 T CA -0.734 61.433 62.100 0.111 0.000 1.009 360 T CB 1.716 70.697 68.868 0.189 0.000 1.203 360 T HN 0.660 nan 8.240 nan 0.000 0.518 361 S N -0.559 115.247 115.700 0.176 0.000 2.533 361 S HA 0.691 5.162 4.470 0.001 0.000 0.271 361 S C -1.172 173.609 174.600 0.303 0.000 1.143 361 S CA -0.490 57.879 58.200 0.281 0.000 0.891 361 S CB 1.118 64.509 63.200 0.318 0.000 1.105 361 S HN 1.349 nan 8.310 nan 0.000 0.468 362 A N 4.261 127.292 122.820 0.352 0.000 2.274 362 A HA 0.794 5.115 4.320 0.001 0.000 0.309 362 A C -0.063 177.656 177.584 0.224 0.000 1.226 362 A CA -0.725 51.488 52.037 0.293 0.000 0.853 362 A CB -0.128 19.049 19.000 0.295 0.000 1.146 362 A HN 1.119 nan 8.150 nan 0.000 0.518 363 I N -0.125 120.535 120.570 0.150 0.000 3.002 363 I HA 0.713 4.884 4.170 0.001 0.000 0.310 363 I C 0.097 176.261 176.117 0.078 0.000 1.087 363 I CA -0.774 60.593 61.300 0.110 0.000 1.017 363 I CB 2.008 39.987 38.000 -0.035 0.000 1.226 363 I HN 0.470 nan 8.210 nan 0.000 0.443 364 S N 2.048 117.783 115.700 0.058 0.000 2.568 364 S HA 0.436 4.906 4.470 0.001 0.000 0.282 364 S C 0.866 175.378 174.600 -0.147 0.000 1.338 364 S CA 0.258 58.380 58.200 -0.130 0.000 1.045 364 S CB 1.110 63.999 63.200 -0.518 0.000 0.873 364 S HN 0.882 nan 8.310 nan 0.000 0.516 365 A N 3.676 126.409 122.820 -0.145 0.000 2.348 365 A HA 0.451 4.771 4.320 0.001 0.000 0.224 365 A C 1.018 178.550 177.584 -0.087 0.000 1.227 365 A CA 0.229 52.231 52.037 -0.058 0.000 0.885 365 A CB -0.517 18.528 19.000 0.075 0.000 0.933 365 A HN 0.956 nan 8.150 nan 0.000 0.506 366 G N -0.245 108.407 108.800 -0.246 0.000 2.380 366 G HA2 0.323 4.283 3.960 0.001 0.000 0.262 366 G HA3 0.323 4.283 3.960 0.001 0.000 0.262 366 G C 0.669 175.497 174.900 -0.119 0.000 1.243 366 G CA -0.073 44.843 45.100 -0.307 0.000 0.865 366 G HN 0.370 nan 8.290 nan 0.000 0.513 367 K N 1.457 121.853 120.400 -0.007 0.000 2.103 367 K HA -0.172 4.149 4.320 0.001 0.000 0.207 367 K C 2.067 178.661 176.600 -0.009 0.000 1.048 367 K CA 1.936 58.223 56.287 -0.000 0.000 0.930 367 K CB -0.039 32.473 32.500 0.020 0.000 0.716 367 K HN 0.696 nan 8.250 nan 0.000 0.444 368 D N 0.791 121.201 120.400 0.017 0.000 2.158 368 D HA -0.237 4.404 4.640 0.001 0.000 0.197 368 D C 1.298 177.561 176.300 -0.062 0.000 0.995 368 D CA 1.524 55.520 54.000 -0.005 0.000 0.846 368 D CB -0.164 40.659 40.800 0.038 0.000 0.941 368 D HN 0.333 nan 8.370 nan 0.000 0.456 369 K N -0.092 120.236 120.400 -0.121 0.000 2.166 369 K HA 0.171 4.492 4.320 0.001 0.000 0.201 369 K C 2.555 179.088 176.600 -0.111 0.000 1.052 369 K CA 0.101 56.288 56.287 -0.167 0.000 0.969 369 K CB 0.254 32.559 32.500 -0.326 0.000 0.761 369 K HN 0.143 nan 8.250 nan 0.000 0.459 370 I N 1.983 122.517 120.570 -0.059 0.000 2.264 370 I HA -0.269 3.902 4.170 0.001 0.000 0.248 370 I C 1.136 177.286 176.117 0.055 0.000 1.111 370 I CA 1.244 62.583 61.300 0.066 0.000 1.382 370 I CB -0.186 37.828 38.000 0.024 0.000 1.060 370 I HN 0.131 nan 8.210 nan 0.000 0.418 371 D N 0.788 121.180 120.400 -0.014 0.000 2.363 371 D HA -0.064 4.577 4.640 0.001 0.000 0.226 371 D C 1.584 177.833 176.300 -0.084 0.000 1.020 371 D CA 0.653 54.633 54.000 -0.034 0.000 0.892 371 D CB 0.017 40.801 40.800 -0.026 0.000 0.900 371 D HN 0.364 nan 8.370 nan 0.000 0.531 372 K N -0.064 120.259 120.400 -0.128 0.000 2.404 372 K HA 0.127 4.448 4.320 0.001 0.000 0.194 372 K C 0.061 176.502 176.600 -0.264 0.000 1.023 372 K CA 0.128 56.313 56.287 -0.169 0.000 1.094 372 K CB 1.262 33.658 32.500 -0.172 0.000 0.841 372 K HN -0.099 nan 8.250 nan 0.000 0.523 373 V N 0.467 120.171 119.914 -0.349 0.000 2.789 373 V HA 0.385 4.506 4.120 0.001 0.000 0.311 373 V C -0.725 175.091 176.094 -0.464 0.000 1.073 373 V CA -1.248 60.709 62.300 -0.570 0.000 0.921 373 V CB 1.781 32.873 31.823 -1.218 0.000 1.009 373 V HN 0.006 nan 8.190 nan 0.000 0.426 374 A N 2.467 125.083 122.820 -0.340 0.000 3.015 374 A HA 0.427 4.747 4.320 0.001 0.000 0.293 374 A C 0.372 177.873 177.584 -0.137 0.000 1.572 374 A CA -0.143 51.794 52.037 -0.167 0.000 1.274 374 A CB -0.641 18.308 19.000 -0.086 0.000 1.156 374 A HN 0.826 nan 8.150 nan 0.000 0.562 375 Y N 1.398 121.686 120.300 -0.020 0.000 2.333 375 Y HA -0.247 4.303 4.550 0.001 0.000 0.290 375 Y C 2.434 178.341 175.900 0.012 0.000 1.144 375 Y CA 1.773 59.877 58.100 0.007 0.000 1.228 375 Y CB -0.229 38.218 38.460 -0.023 0.000 0.985 375 Y HN 0.792 nan 8.280 nan 0.000 0.542 376 N N -0.179 118.602 118.700 0.135 0.000 2.364 376 N HA -0.126 4.614 4.740 0.001 0.000 0.183 376 N C 1.505 177.049 175.510 0.057 0.000 1.022 376 N CA 1.606 54.703 53.050 0.079 0.000 0.883 376 N CB -0.737 37.779 38.487 0.048 0.000 0.965 376 N HN 0.296 nan 8.380 nan 0.000 0.438 377 V N 1.045 120.988 119.914 0.048 0.000 2.521 377 V HA 0.138 4.259 4.120 0.001 0.000 0.239 377 V C 2.750 178.874 176.094 0.051 0.000 1.053 377 V CA 1.121 63.441 62.300 0.034 0.000 1.073 377 V CB -0.868 30.964 31.823 0.014 0.000 0.746 377 V HN 0.393 nan 8.190 nan 0.000 0.476 378 A N 0.915 123.780 122.820 0.075 0.000 1.986 378 A HA -0.329 3.991 4.320 0.001 0.000 0.220 378 A C 2.197 179.847 177.584 0.109 0.000 1.171 378 A CA 2.257 54.358 52.037 0.106 0.000 0.640 378 A CB -0.677 18.452 19.000 0.215 0.000 0.811 378 A HN 0.784 nan 8.150 nan 0.000 0.451 379 Q N -0.328 119.546 119.800 0.123 0.000 2.234 379 Q HA -0.217 4.124 4.340 0.001 0.000 0.206 379 Q C 1.045 177.063 176.000 0.031 0.000 0.980 379 Q CA 1.661 57.512 55.803 0.080 0.000 0.869 379 Q CB -0.531 28.248 28.738 0.069 0.000 0.912 379 Q HN 0.596 nan 8.270 nan 0.000 0.436 380 N N 0.243 118.961 118.700 0.029 0.000 2.512 380 N HA -0.020 4.720 4.740 0.001 0.000 0.183 380 N C 0.708 176.222 175.510 0.006 0.000 1.073 380 N CA 1.082 54.139 53.050 0.012 0.000 0.911 380 N CB 0.241 38.736 38.487 0.013 0.000 0.964 380 N HN 0.277 nan 8.380 nan 0.000 0.447 381 S N -0.206 115.501 115.700 0.011 0.000 2.523 381 S HA 0.291 4.762 4.470 0.001 0.000 0.217 381 S C 0.676 175.275 174.600 -0.002 0.000 0.996 381 S CA -0.096 58.106 58.200 0.004 0.000 0.921 381 S CB 0.676 63.876 63.200 0.001 0.000 0.829 381 S HN 0.173 nan 8.310 nan 0.000 0.495 382 M N 1.160 120.756 119.600 -0.007 0.000 2.508 382 M HA 0.398 4.878 4.480 0.001 0.000 0.327 382 M C 0.088 176.327 176.300 -0.103 0.000 1.160 382 M CA -0.473 54.809 55.300 -0.030 0.000 0.980 382 M CB 1.340 33.938 32.600 -0.003 0.000 1.693 382 M HN -0.125 nan 8.290 nan 0.000 0.452 383 D N -0.039 120.261 120.400 -0.166 0.000 2.216 383 D HA 0.057 4.698 4.640 0.001 0.000 0.208 383 D C 0.026 175.880 176.300 -0.744 0.000 0.960 383 D CA 1.225 54.983 54.000 -0.403 0.000 0.861 383 D CB 0.528 41.124 40.800 -0.340 0.000 0.985 383 D HN 0.491 nan 8.370 nan 0.000 0.493 384 H N -0.848 118.095 119.070 -0.211 0.000 3.046 384 H HA 0.427 4.984 4.556 0.001 0.000 0.361 384 H C -0.651 174.357 175.328 -0.534 0.000 1.235 384 H CA -0.516 55.277 56.048 -0.425 0.000 1.146 384 H CB 1.944 31.280 29.762 -0.710 0.000 1.859 384 H HN -0.162 nan 8.280 nan 0.000 0.548 385 I N 2.593 122.944 120.570 -0.365 0.000 2.382 385 I HA 0.150 4.321 4.170 0.001 0.000 0.286 385 I C -0.715 175.183 176.117 -0.365 0.000 1.002 385 I CA -0.570 60.544 61.300 -0.309 0.000 1.135 385 I CB 0.827 38.714 38.000 -0.189 0.000 1.288 385 I HN 0.235 nan 8.210 nan 0.000 0.448 386 F N 6.788 126.657 119.950 -0.134 0.000 2.368 386 F HA 0.245 4.773 4.527 0.001 0.000 0.362 386 F C 0.166 175.894 175.800 -0.120 0.000 1.137 386 F CA -0.666 57.101 58.000 -0.388 0.000 1.161 386 F CB 0.560 39.039 39.000 -0.868 0.000 1.265 386 F HN 0.292 nan 8.300 nan 0.000 0.530 387 L N 5.306 126.696 121.223 0.278 0.000 2.385 387 L HA 0.230 4.571 4.340 0.001 0.000 0.281 387 L C 0.244 177.259 176.870 0.242 0.000 1.106 387 L CA 0.205 55.161 54.840 0.194 0.000 0.856 387 L CB 0.207 42.340 42.059 0.124 0.000 1.186 387 L HN 0.508 nan 8.230 nan 0.000 0.453 388 M N 4.762 124.378 119.600 0.027 0.000 3.442 388 M HA 0.078 4.559 4.480 0.001 0.000 0.232 388 M C 0.679 176.503 176.300 -0.792 0.000 1.508 388 M CA 0.057 55.083 55.300 -0.456 0.000 1.647 388 M CB -0.576 31.907 32.600 -0.195 0.000 1.126 388 M HN 0.742 nan 8.290 nan 0.000 0.557 389 S N 1.549 116.837 115.700 -0.688 0.000 4.085 389 S HA 0.269 4.739 4.470 0.001 0.000 0.189 389 S C -0.569 173.518 174.600 -0.854 0.000 1.392 389 S CA -0.480 57.448 58.200 -0.452 0.000 0.972 389 S CB -1.058 62.137 63.200 -0.008 0.000 1.482 389 S HN 0.571 nan 8.310 nan 0.000 0.446 390 Y N -2.928 116.854 120.300 -0.863 0.000 2.764 390 Y HA 0.572 5.122 4.550 0.001 0.000 0.331 390 Y C -0.223 175.307 175.900 -0.617 0.000 1.280 390 Y CA -1.800 55.817 58.100 -0.804 0.000 1.065 390 Y CB -0.236 38.021 38.460 -0.340 0.000 1.319 390 Y HN 0.143 nan 8.280 nan 0.000 0.453 391 D N -0.583 119.839 120.400 0.038 0.000 3.041 391 D HA -0.197 4.444 4.640 0.001 0.000 0.220 391 D C 0.572 177.034 176.300 0.269 0.000 1.157 391 D CA 1.117 55.248 54.000 0.219 0.000 0.876 391 D CB -1.322 39.593 40.800 0.191 0.000 1.107 391 D HN 0.477 nan 8.370 nan 0.000 0.422 392 F N -0.419 119.702 119.950 0.286 0.000 2.216 392 F HA -0.032 4.496 4.527 0.001 0.000 0.300 392 F C 1.162 177.057 175.800 0.158 0.000 1.085 392 F CA 1.051 59.176 58.000 0.209 0.000 1.326 392 F CB -0.281 38.897 39.000 0.296 0.000 1.027 392 F HN 0.096 nan 8.300 nan 0.000 0.497 393 Y N -1.865 118.765 120.300 0.549 0.000 2.615 393 Y HA 0.656 5.206 4.550 0.001 0.000 0.341 393 Y C 0.476 176.421 175.900 0.074 0.000 1.089 393 Y CA -1.043 57.303 58.100 0.410 0.000 1.049 393 Y CB 1.816 40.552 38.460 0.460 0.000 1.296 393 Y HN -0.113 nan 8.280 nan 0.000 0.470 394 G N -0.631 108.053 108.800 -0.192 0.000 2.320 394 G HA2 0.425 4.386 3.960 0.001 0.000 0.296 394 G HA3 0.425 4.386 3.960 0.001 0.000 0.296 394 G C -0.323 174.179 174.900 -0.663 0.000 1.306 394 G CA -0.223 44.442 45.100 -0.725 0.000 0.836 394 G HN 0.859 nan 8.290 nan 0.000 0.517 395 A N -0.631 121.812 122.820 -0.628 0.000 2.178 395 A HA 0.198 4.518 4.320 0.001 0.000 0.218 395 A C 1.906 179.478 177.584 -0.020 0.000 1.157 395 A CA 2.190 54.094 52.037 -0.222 0.000 0.689 395 A CB -0.939 17.958 19.000 -0.172 0.000 0.787 395 A HN 1.366 nan 8.150 nan 0.000 0.465 396 F N -1.020 119.020 119.950 0.151 0.000 2.699 396 F HA 0.232 4.760 4.527 0.001 0.000 0.298 396 F C 0.262 176.177 175.800 0.192 0.000 1.154 396 F CA -0.115 57.969 58.000 0.140 0.000 1.457 396 F CB -0.264 38.788 39.000 0.088 0.000 1.106 396 F HN 0.135 nan 8.300 nan 0.000 0.585 397 D N 0.686 121.169 120.400 0.137 0.000 2.479 397 D HA 0.251 4.891 4.640 0.001 0.000 0.246 397 D C 0.121 176.549 176.300 0.214 0.000 1.336 397 D CA -0.323 53.812 54.000 0.224 0.000 0.967 397 D CB 1.094 42.056 40.800 0.271 0.000 1.275 397 D HN 0.182 nan 8.370 nan 0.000 0.577 398 L N 2.655 123.972 121.223 0.158 0.000 2.592 398 L HA 0.196 4.537 4.340 0.001 0.000 0.227 398 L C 1.946 178.792 176.870 -0.040 0.000 1.127 398 L CA 0.271 55.161 54.840 0.082 0.000 0.884 398 L CB 0.267 42.392 42.059 0.110 0.000 1.065 398 L HN 0.143 nan 8.230 nan 0.000 0.457 399 K N -0.231 120.168 120.400 -0.002 0.000 2.214 399 K HA 0.138 4.459 4.320 0.001 0.000 0.201 399 K C 0.272 176.842 176.600 -0.050 0.000 1.049 399 K CA 0.292 56.563 56.287 -0.028 0.000 0.978 399 K CB 0.399 32.908 32.500 0.015 0.000 0.842 399 K HN 0.174 nan 8.250 nan 0.000 0.474 400 N N 2.293 121.003 118.700 0.016 0.000 2.609 400 N HA 0.219 4.959 4.740 0.001 0.000 0.234 400 N C -0.704 174.870 175.510 0.108 0.000 1.001 400 N CA -0.016 53.077 53.050 0.070 0.000 0.926 400 N CB 1.163 39.746 38.487 0.160 0.000 1.130 400 N HN 0.034 nan 8.380 nan 0.000 0.510 401 L N 0.531 121.646 121.223 -0.180 0.000 2.416 401 L HA 0.821 5.161 4.340 0.001 0.000 0.262 401 L C 1.124 177.624 176.870 -0.617 0.000 1.093 401 L CA -0.711 53.857 54.840 -0.452 0.000 0.801 401 L CB 1.346 42.858 42.059 -0.912 0.000 1.191 401 L HN 0.449 nan 8.230 nan 0.000 0.459 402 G N -1.321 106.991 108.800 -0.813 0.000 2.342 402 G HA2 0.203 4.164 3.960 0.001 0.000 0.297 402 G HA3 0.203 4.164 3.960 0.001 0.000 0.297 402 G C -1.555 172.794 174.900 -0.920 0.000 1.313 402 G CA -0.792 43.405 45.100 -1.505 0.000 0.830 402 G HN 0.472 nan 8.290 nan 0.000 0.506 403 H N 1.079 119.722 119.070 -0.712 0.000 2.899 403 H HA 0.122 4.679 4.556 0.001 0.000 0.303 403 H C 1.580 177.075 175.328 0.278 0.000 1.042 403 H CA 0.756 56.667 56.048 -0.228 0.000 1.479 403 H CB 1.791 31.404 29.762 -0.248 0.000 1.493 403 H HN 0.752 nan 8.280 nan 0.000 0.534 404 Q N 1.906 121.966 119.800 0.433 0.000 2.291 404 Q HA -0.087 4.254 4.340 0.001 0.000 0.205 404 Q C 0.874 177.035 176.000 0.268 0.000 0.970 404 Q CA 1.719 57.778 55.803 0.426 0.000 0.876 404 Q CB 0.475 29.361 28.738 0.247 0.000 0.935 404 Q HN 0.473 nan 8.270 nan 0.000 0.455 405 T N -0.770 113.936 114.554 0.253 0.000 3.714 405 T HA 0.555 4.905 4.350 0.001 0.000 0.309 405 T C -0.349 174.492 174.700 0.235 0.000 0.958 405 T CA 0.032 62.202 62.100 0.117 0.000 1.010 405 T CB -0.083 68.771 68.868 -0.024 0.000 1.202 405 T HN 0.470 nan 8.240 nan 0.000 0.476 406 A N 0.868 123.863 122.820 0.292 0.000 2.448 406 A HA 0.541 4.861 4.320 0.001 0.000 0.239 406 A C 1.374 178.984 177.584 0.042 0.000 1.080 406 A CA -0.225 51.828 52.037 0.027 0.000 0.779 406 A CB 0.093 19.018 19.000 -0.126 0.000 1.026 406 A HN 0.523 nan 8.150 nan 0.000 0.499 407 L N 0.921 122.083 121.223 -0.101 0.000 2.127 407 L HA 0.121 4.461 4.340 0.001 0.000 0.203 407 L C 0.557 177.293 176.870 -0.223 0.000 1.080 407 L CA 1.447 56.188 54.840 -0.165 0.000 0.768 407 L CB -0.380 41.552 42.059 -0.212 0.000 0.924 407 L HN 0.757 nan 8.230 nan 0.000 0.444 408 N N -0.892 117.676 118.700 -0.219 0.000 2.577 408 N HA 0.507 5.248 4.740 0.001 0.000 0.285 408 N C -0.763 174.608 175.510 -0.231 0.000 1.309 408 N CA -0.045 52.872 53.050 -0.221 0.000 0.798 408 N CB 1.180 39.545 38.487 -0.203 0.000 1.463 408 N HN 0.142 nan 8.380 nan 0.000 0.518 409 A N 1.074 123.755 122.820 -0.231 0.000 2.386 409 A HA 0.429 4.750 4.320 0.001 0.000 0.248 409 A C -2.040 175.324 177.584 -0.366 0.000 1.082 409 A CA -0.759 51.115 52.037 -0.273 0.000 0.789 409 A CB -0.384 18.472 19.000 -0.241 0.000 1.025 409 A HN 0.437 nan 8.150 nan 0.000 0.490 410 P HA 0.280 nan 4.420 nan 0.000 0.277 410 P C 0.569 177.434 177.300 -0.724 0.000 1.271 410 P CA 0.328 62.898 63.100 -0.882 0.000 0.795 410 P CB 1.163 31.716 31.700 -1.911 0.000 1.101 411 A N 0.648 123.125 122.820 -0.571 0.000 1.929 411 A HA -0.134 4.186 4.320 0.001 0.000 0.216 411 A C 1.804 179.294 177.584 -0.157 0.000 1.176 411 A CA 1.346 53.240 52.037 -0.238 0.000 0.628 411 A CB -1.737 17.237 19.000 -0.042 0.000 0.816 411 A HN 0.797 nan 8.150 nan 0.000 0.444 412 W N -0.747 120.523 121.300 -0.049 0.000 2.825 412 W HA 0.285 4.946 4.660 0.001 0.000 0.243 412 W C 0.505 176.981 176.519 -0.072 0.000 1.293 412 W CA 0.759 58.071 57.345 -0.057 0.000 1.403 412 W CB -0.005 29.417 29.460 -0.063 0.000 1.134 412 W HN 0.180 nan 8.180 nan 0.000 0.666 413 K N 1.440 121.641 120.400 -0.332 0.000 3.072 413 K HA 0.092 4.413 4.320 0.001 0.000 0.216 413 K C -2.111 174.335 176.600 -0.257 0.000 1.253 413 K CA -0.771 55.395 56.287 -0.202 0.000 0.891 413 K CB 0.706 33.135 32.500 -0.119 0.000 1.224 413 K HN -0.294 nan 8.250 nan 0.000 0.570 414 P HA -0.169 nan 4.420 nan 0.000 0.226 414 P C 0.216 177.432 177.300 -0.140 0.000 1.146 414 P CA 1.092 64.088 63.100 -0.173 0.000 0.773 414 P CB 0.195 31.821 31.700 -0.123 0.000 0.772 415 D N -1.435 118.894 120.400 -0.119 0.000 2.339 415 D HA -0.022 4.618 4.640 0.001 0.000 0.217 415 D C -0.041 176.189 176.300 -0.116 0.000 1.050 415 D CA 0.033 53.973 54.000 -0.101 0.000 0.856 415 D CB -1.082 39.672 40.800 -0.077 0.000 0.922 415 D HN -0.039 nan 8.370 nan 0.000 0.518 416 T N 1.209 115.682 114.554 -0.135 0.000 2.765 416 T HA 0.161 4.512 4.350 0.001 0.000 0.275 416 T C 1.399 176.006 174.700 -0.154 0.000 1.007 416 T CA 0.455 62.479 62.100 -0.127 0.000 1.175 416 T CB 1.256 70.043 68.868 -0.135 0.000 0.993 416 T HN 0.276 nan 8.240 nan 0.000 0.510 417 A N 4.324 127.020 122.820 -0.206 0.000 1.872 417 A HA 0.029 4.350 4.320 0.001 0.000 0.214 417 A C 0.773 178.279 177.584 -0.130 0.000 1.187 417 A CA 0.712 52.613 52.037 -0.226 0.000 0.614 417 A CB -0.305 18.462 19.000 -0.388 0.000 0.826 417 A HN 0.889 nan 8.150 nan 0.000 0.442 418 Y N 1.769 121.899 120.300 -0.284 0.000 2.600 418 Y HA 0.366 4.916 4.550 0.001 0.000 0.351 418 Y C 0.681 175.929 175.900 -1.087 0.000 1.042 418 Y CA -0.277 57.478 58.100 -0.576 0.000 1.333 418 Y CB 0.184 38.398 38.460 -0.409 0.000 1.172 418 Y HN 0.349 nan 8.280 nan 0.000 0.517 419 T N -2.551 111.488 114.554 -0.858 0.000 2.864 419 T HA 0.191 4.542 4.350 0.001 0.000 0.299 419 T C 0.713 175.138 174.700 -0.459 0.000 1.166 419 T CA -0.770 60.863 62.100 -0.778 0.000 1.007 419 T CB 1.724 70.386 68.868 -0.344 0.000 1.219 419 T HN 0.308 nan 8.240 nan 0.000 0.506 420 T N 0.965 115.463 114.554 -0.093 0.000 2.746 420 T HA -0.080 4.270 4.350 0.001 0.000 0.267 420 T C 2.065 176.753 174.700 -0.019 0.000 1.039 420 T CA 1.474 63.630 62.100 0.094 0.000 1.142 420 T CB -0.353 68.563 68.868 0.080 0.000 0.866 420 T HN 0.492 nan 8.240 nan 0.000 0.444 421 V N 2.538 122.363 119.914 -0.149 0.000 2.343 421 V HA -0.178 3.943 4.120 0.001 0.000 0.247 421 V C 2.448 178.525 176.094 -0.029 0.000 1.051 421 V CA 1.478 63.710 62.300 -0.112 0.000 1.036 421 V CB -0.603 31.104 31.823 -0.194 0.000 0.654 421 V HN 0.450 nan 8.190 nan 0.000 0.451 422 N N 0.887 119.541 118.700 -0.077 0.000 2.166 422 N HA -0.123 4.617 4.740 0.001 0.000 0.186 422 N C 1.900 177.396 175.510 -0.022 0.000 1.019 422 N CA 1.659 54.677 53.050 -0.054 0.000 0.856 422 N CB -0.710 37.727 38.487 -0.084 0.000 0.993 422 N HN 0.529 nan 8.380 nan 0.000 0.426 423 G N 0.848 109.639 108.800 -0.016 0.000 2.421 423 G HA2 -0.179 3.781 3.960 0.001 0.000 0.216 423 G HA3 -0.179 3.781 3.960 0.001 0.000 0.216 423 G C 1.724 176.633 174.900 0.015 0.000 1.171 423 G CA 0.834 45.937 45.100 0.005 0.000 0.775 423 G HN 0.200 nan 8.290 nan 0.000 0.543 424 V N 1.613 121.563 119.914 0.060 0.000 2.343 424 V HA -0.194 3.927 4.120 0.001 0.000 0.247 424 V C 2.658 178.782 176.094 0.050 0.000 1.051 424 V CA 1.871 64.219 62.300 0.079 0.000 1.036 424 V CB -0.479 31.462 31.823 0.198 0.000 0.654 424 V HN 0.314 nan 8.190 nan 0.000 0.451 425 N N 0.614 119.345 118.700 0.051 0.000 2.188 425 N HA -0.098 4.643 4.740 0.001 0.000 0.184 425 N C 1.916 177.434 175.510 0.014 0.000 1.018 425 N CA 1.598 54.667 53.050 0.032 0.000 0.858 425 N CB -0.522 37.979 38.487 0.023 0.000 0.989 425 N HN 0.489 nan 8.380 nan 0.000 0.426 426 A N 1.314 124.138 122.820 0.006 0.000 1.908 426 A HA -0.081 4.239 4.320 0.001 0.000 0.218 426 A C 2.381 179.969 177.584 0.008 0.000 1.181 426 A CA 1.020 53.058 52.037 0.003 0.000 0.627 426 A CB -0.739 18.259 19.000 -0.004 0.000 0.818 426 A HN 0.211 nan 8.150 nan 0.000 0.445 427 L N -0.806 120.412 121.223 -0.008 0.000 2.027 427 L HA -0.142 4.198 4.340 0.001 0.000 0.206 427 L C 2.575 179.448 176.870 0.006 0.000 1.074 427 L CA 0.971 55.803 54.840 -0.014 0.000 0.745 427 L CB -0.558 41.455 42.059 -0.076 0.000 0.898 427 L HN 0.361 nan 8.230 nan 0.000 0.433 428 L N -0.212 121.013 121.223 0.004 0.000 2.042 428 L HA -0.217 4.123 4.340 0.001 0.000 0.210 428 L C 2.873 179.749 176.870 0.011 0.000 1.076 428 L CA 1.207 56.050 54.840 0.006 0.000 0.749 428 L CB -0.780 41.284 42.059 0.008 0.000 0.893 428 L HN 0.256 nan 8.230 nan 0.000 0.432 429 A N -0.632 122.195 122.820 0.012 0.000 1.972 429 A HA -0.238 4.083 4.320 0.001 0.000 0.219 429 A C 2.213 179.805 177.584 0.014 0.000 1.169 429 A CA 1.467 53.510 52.037 0.011 0.000 0.635 429 A CB -0.398 18.607 19.000 0.008 0.000 0.810 429 A HN 0.509 nan 8.150 nan 0.000 0.446 430 Q N -2.099 117.715 119.800 0.024 0.000 2.230 430 Q HA 0.137 4.477 4.340 0.001 0.000 0.202 430 Q C 1.237 177.254 176.000 0.029 0.000 0.963 430 Q CA 0.757 56.579 55.803 0.032 0.000 0.866 430 Q CB 0.012 28.787 28.738 0.062 0.000 0.931 430 Q HN 0.911 nan 8.270 nan 0.000 0.452 431 G N -0.003 108.813 108.800 0.025 0.000 2.183 431 G HA2 -0.176 3.784 3.960 0.001 0.000 0.168 431 G HA3 -0.176 3.784 3.960 0.001 0.000 0.168 431 G C -0.033 174.881 174.900 0.023 0.000 1.008 431 G CA -0.261 44.851 45.100 0.020 0.000 0.677 431 G HN 0.134 nan 8.290 nan 0.000 0.498 432 V N 1.789 121.720 119.914 0.029 0.000 2.585 432 V HA 0.212 4.333 4.120 0.001 0.000 0.296 432 V C 1.072 177.169 176.094 0.005 0.000 1.035 432 V CA 0.174 62.489 62.300 0.024 0.000 1.084 432 V CB 0.953 32.786 31.823 0.016 0.000 0.953 432 V HN 0.349 nan 8.190 nan 0.000 0.483 433 K N 8.128 128.529 120.400 0.002 0.000 2.412 433 K HA 0.131 4.451 4.320 0.001 0.000 0.281 433 K C -1.261 175.330 176.600 -0.014 0.000 1.027 433 K CA -1.066 55.218 56.287 -0.006 0.000 0.989 433 K CB 0.547 33.044 32.500 -0.006 0.000 0.935 433 K HN 0.458 nan 8.250 nan 0.000 0.475 434 P HA -0.214 nan 4.420 nan 0.000 0.216 434 P C 1.138 178.424 177.300 -0.023 0.000 1.150 434 P CA 1.493 64.576 63.100 -0.029 0.000 0.843 434 P CB 0.081 31.757 31.700 -0.039 0.000 0.787 435 G N -0.002 108.790 108.800 -0.012 0.000 2.625 435 G HA2 -0.165 3.795 3.960 0.001 0.000 0.214 435 G HA3 -0.165 3.795 3.960 0.001 0.000 0.214 435 G C 1.613 176.526 174.900 0.020 0.000 1.132 435 G CA 0.301 45.404 45.100 0.005 0.000 0.782 435 G HN 0.251 nan 8.290 nan 0.000 0.538 436 K N -0.050 120.348 120.400 -0.003 0.000 2.211 436 K HA 0.171 4.492 4.320 0.001 0.000 0.201 436 K C 0.898 177.484 176.600 -0.024 0.000 1.052 436 K CA -0.024 56.253 56.287 -0.015 0.000 0.973 436 K CB 0.311 32.786 32.500 -0.042 0.000 0.766 436 K HN 0.324 nan 8.250 nan 0.000 0.466 437 I N 2.770 123.326 120.570 -0.023 0.000 2.436 437 I HA 0.005 4.176 4.170 0.001 0.000 0.289 437 I C -0.199 175.937 176.117 0.032 0.000 1.083 437 I CA -0.342 60.948 61.300 -0.017 0.000 1.372 437 I CB 0.744 38.736 38.000 -0.014 0.000 1.408 437 I HN -0.327 nan 8.210 nan 0.000 0.516 438 V N 7.803 127.759 119.914 0.071 0.000 2.347 438 V HA 0.230 4.351 4.120 0.001 0.000 0.280 438 V C 0.330 176.661 176.094 0.394 0.000 1.021 438 V CA -0.728 61.701 62.300 0.214 0.000 0.847 438 V CB 1.520 33.503 31.823 0.266 0.000 0.990 438 V HN 0.394 nan 8.190 nan 0.000 0.444 439 V N 4.165 124.263 119.914 0.306 0.000 2.715 439 V HA 0.472 4.593 4.120 0.001 0.000 0.299 439 V C 1.084 177.288 176.094 0.183 0.000 1.054 439 V CA 0.222 62.679 62.300 0.262 0.000 1.077 439 V CB 1.410 33.358 31.823 0.208 0.000 0.972 439 V HN 0.964 nan 8.190 nan 0.000 0.484 440 G N 2.666 111.448 108.800 -0.031 0.000 2.389 440 G HA2 0.633 4.594 3.960 0.001 0.000 0.317 440 G HA3 0.633 4.594 3.960 0.001 0.000 0.317 440 G C -0.195 174.580 174.900 -0.208 0.000 1.137 440 G CA -0.136 44.612 45.100 -0.588 0.000 0.870 440 G HN 0.855 nan 8.290 nan 0.000 0.496 441 T N -1.653 112.790 114.554 -0.184 0.000 2.893 441 T HA 0.743 5.094 4.350 0.001 0.000 0.291 441 T C -0.254 174.413 174.700 -0.055 0.000 1.028 441 T CA -0.570 61.498 62.100 -0.053 0.000 0.995 441 T CB 2.076 70.895 68.868 -0.082 0.000 1.051 441 T HN 1.097 nan 8.240 nan 0.000 0.470 442 A N 2.910 125.641 122.820 -0.148 0.000 2.304 442 A HA 0.680 5.001 4.320 0.001 0.000 0.323 442 A C 0.597 178.032 177.584 -0.249 0.000 1.195 442 A CA -1.012 50.781 52.037 -0.405 0.000 0.826 442 A CB 0.553 19.009 19.000 -0.907 0.000 1.184 442 A HN 0.979 nan 8.150 nan 0.000 0.496 443 M N 2.180 121.742 119.600 -0.063 0.000 2.551 443 M HA 0.212 4.693 4.480 0.001 0.000 0.252 443 M C -0.891 175.542 176.300 0.221 0.000 1.219 443 M CA 0.284 55.608 55.300 0.041 0.000 0.978 443 M CB -0.558 32.054 32.600 0.020 0.000 1.533 443 M HN 0.764 nan 8.290 nan 0.000 0.474 444 Y N -3.333 117.033 120.300 0.109 0.000 2.625 444 Y HA 0.881 5.431 4.550 0.001 0.000 0.338 444 Y C -0.459 175.539 175.900 0.163 0.000 1.123 444 Y CA -1.820 56.356 58.100 0.127 0.000 1.046 444 Y CB 0.516 39.032 38.460 0.095 0.000 1.299 444 Y HN -0.091 nan 8.280 nan 0.000 0.464 445 G N 1.306 110.240 108.800 0.223 0.000 2.453 445 G HA2 0.713 4.673 3.960 0.001 0.000 0.323 445 G HA3 0.713 4.673 3.960 0.001 0.000 0.323 445 G C -1.503 173.506 174.900 0.183 0.000 1.198 445 G CA -1.478 43.736 45.100 0.191 0.000 0.959 445 G HN 0.668 nan 8.290 nan 0.000 0.482 446 R N -0.507 120.044 120.500 0.084 0.000 2.664 446 R HA 0.724 5.065 4.340 0.001 0.000 0.286 446 R C -0.134 175.955 176.300 -0.351 0.000 0.967 446 R CA -0.498 55.545 56.100 -0.095 0.000 0.933 446 R CB 2.327 32.560 30.300 -0.112 0.000 1.146 446 R HN 0.731 nan 8.270 nan 0.000 0.468 447 G N 0.995 109.479 108.800 -0.527 0.000 2.692 447 G HA2 0.524 4.485 3.960 0.001 0.000 0.291 447 G HA3 0.524 4.485 3.960 0.001 0.000 0.291 447 G C -1.659 172.867 174.900 -0.623 0.000 1.423 447 G CA -0.593 44.153 45.100 -0.590 0.000 0.843 447 G HN 0.364 nan 8.290 nan 0.000 0.486 448 W N -0.795 120.524 121.300 0.031 0.000 2.850 448 W HA 0.744 5.405 4.660 0.001 0.000 0.349 448 W C -0.256 176.266 176.519 0.006 0.000 1.133 448 W CA -0.584 56.767 57.345 0.010 0.000 1.117 448 W CB 2.169 31.626 29.460 -0.004 0.000 1.442 448 W HN 0.652 nan 8.180 nan 0.000 0.575 449 T N -1.196 113.505 114.554 0.246 0.000 2.901 449 T HA 0.476 4.827 4.350 0.001 0.000 0.293 449 T C 0.535 175.294 174.700 0.098 0.000 1.084 449 T CA 0.463 62.633 62.100 0.117 0.000 1.008 449 T CB 1.150 70.054 68.868 0.061 0.000 1.170 449 T HN 0.911 nan 8.240 nan 0.000 0.509 450 G N 1.265 110.091 108.800 0.042 0.000 2.233 450 G HA2 -0.212 3.749 3.960 0.001 0.000 0.270 450 G HA3 -0.212 3.749 3.960 0.001 0.000 0.270 450 G C 0.302 175.242 174.900 0.066 0.000 1.011 450 G CA 0.423 45.547 45.100 0.039 0.000 0.762 450 G HN 0.970 nan 8.290 nan 0.000 0.511 451 V N 0.869 120.838 119.914 0.092 0.000 2.694 451 V HA 0.395 4.515 4.120 0.001 0.000 0.306 451 V C 0.634 176.833 176.094 0.175 0.000 1.054 451 V CA 0.993 63.337 62.300 0.072 0.000 1.161 451 V CB 0.595 32.437 31.823 0.032 0.000 0.916 451 V HN 1.036 nan 8.190 nan 0.000 0.490 452 N N 1.654 120.457 118.700 0.171 0.000 3.106 452 N HA 0.594 5.335 4.740 0.001 0.000 0.253 452 N C 0.233 175.821 175.510 0.130 0.000 1.506 452 N CA -0.238 52.948 53.050 0.226 0.000 0.876 452 N CB 1.226 39.763 38.487 0.084 0.000 1.452 452 N HN 0.931 nan 8.380 nan 0.000 0.542 453 G N -1.288 107.481 108.800 -0.051 0.000 2.225 453 G HA2 -0.258 3.702 3.960 0.001 0.000 0.267 453 G HA3 -0.258 3.702 3.960 0.001 0.000 0.267 453 G C -0.565 174.270 174.900 -0.109 0.000 1.024 453 G CA 1.022 46.054 45.100 -0.113 0.000 0.784 453 G HN 0.948 nan 8.290 nan 0.000 0.507 454 Y N -1.038 119.167 120.300 -0.158 0.000 2.376 454 Y HA 0.794 5.345 4.550 0.001 0.000 0.325 454 Y C 0.128 175.920 175.900 -0.181 0.000 1.199 454 Y CA -1.493 56.477 58.100 -0.216 0.000 1.206 454 Y CB 0.993 39.263 38.460 -0.317 0.000 1.229 454 Y HN 0.365 nan 8.280 nan 0.000 0.480 455 Q N -0.011 119.736 119.800 -0.089 0.000 2.416 455 Q HA 0.471 4.811 4.340 0.001 0.000 0.279 455 Q C -0.667 175.292 176.000 -0.068 0.000 1.101 455 Q CA -1.048 54.687 55.803 -0.114 0.000 0.830 455 Q CB 1.076 29.753 28.738 -0.101 0.000 1.402 455 Q HN 0.669 nan 8.270 nan 0.000 0.445 456 N N 1.296 119.962 118.700 -0.056 0.000 2.747 456 N HA -0.212 4.529 4.740 0.001 0.000 0.249 456 N C -0.859 174.641 175.510 -0.017 0.000 1.107 456 N CA 0.974 54.007 53.050 -0.029 0.000 0.707 456 N CB -1.286 37.187 38.487 -0.023 0.000 1.054 456 N HN 0.894 nan 8.380 nan 0.000 0.555 457 N N -1.193 117.519 118.700 0.020 0.000 2.708 457 N HA -0.204 4.536 4.740 0.001 0.000 0.249 457 N C -0.735 174.727 175.510 -0.079 0.000 1.097 457 N CA 0.968 54.053 53.050 0.058 0.000 0.710 457 N CB -0.724 37.789 38.487 0.044 0.000 1.032 457 N HN 0.455 nan 8.380 nan 0.000 0.551 458 I N 0.404 120.868 120.570 -0.176 0.000 2.388 458 I HA 0.181 4.352 4.170 0.001 0.000 0.281 458 I C -1.380 174.310 176.117 -0.711 0.000 1.046 458 I CA -2.000 58.999 61.300 -0.503 0.000 1.187 458 I CB 1.178 38.760 38.000 -0.696 0.000 1.351 458 I HN -0.278 nan 8.210 nan 0.000 0.472 459 P HA -0.170 nan 4.420 nan 0.000 0.217 459 P C 1.497 178.135 177.300 -1.104 0.000 1.148 459 P CA 1.592 63.748 63.100 -1.573 0.000 0.834 459 P CB 0.065 30.574 31.700 -1.985 0.000 0.783 460 F N -0.541 118.838 119.950 -0.951 0.000 2.494 460 F HA -0.107 4.421 4.527 0.001 0.000 0.298 460 F C 2.086 177.475 175.800 -0.685 0.000 1.106 460 F CA 1.560 59.045 58.000 -0.859 0.000 1.452 460 F CB -1.728 36.715 39.000 -0.927 0.000 1.085 460 F HN 0.037 nan 8.300 nan 0.000 0.569 461 T N -3.232 111.031 114.554 -0.485 0.000 3.081 461 T HA 0.284 4.635 4.350 0.001 0.000 0.255 461 T C 1.472 176.061 174.700 -0.186 0.000 1.113 461 T CA 0.470 62.386 62.100 -0.306 0.000 1.082 461 T CB -0.513 68.189 68.868 -0.276 0.000 0.939 461 T HN 0.178 nan 8.240 nan 0.000 0.506 462 G N 1.458 110.148 108.800 -0.183 0.000 2.630 462 G HA2 0.552 4.512 3.960 0.001 0.000 0.223 462 G HA3 0.552 4.512 3.960 0.001 0.000 0.223 462 G C -0.301 174.501 174.900 -0.164 0.000 1.434 462 G CA -0.007 45.035 45.100 -0.096 0.000 1.057 462 G HN 0.642 nan 8.290 nan 0.000 0.570 463 T N -3.653 110.827 114.554 -0.123 0.000 2.896 463 T HA 0.731 5.082 4.350 0.001 0.000 0.297 463 T C -0.401 174.228 174.700 -0.118 0.000 1.108 463 T CA -0.072 61.943 62.100 -0.143 0.000 1.004 463 T CB 1.751 70.575 68.868 -0.073 0.000 1.159 463 T HN 1.190 nan 8.240 nan 0.000 0.499 464 A N 0.679 123.428 122.820 -0.119 0.000 2.299 464 A HA 0.773 5.094 4.320 0.001 0.000 0.332 464 A C 1.215 178.823 177.584 0.040 0.000 1.131 464 A CA -0.208 51.820 52.037 -0.016 0.000 0.844 464 A CB 1.014 20.047 19.000 0.055 0.000 1.251 464 A HN 1.326 nan 8.150 nan 0.000 0.486 465 T N -2.713 111.882 114.554 0.069 0.000 3.001 465 T HA 0.531 4.881 4.350 0.001 0.000 0.251 465 T C 0.685 175.433 174.700 0.080 0.000 1.040 465 T CA 0.739 62.875 62.100 0.060 0.000 0.985 465 T CB -0.047 68.847 68.868 0.044 0.000 1.011 465 T HN 2.032 nan 8.240 nan 0.000 0.509 466 G N 1.579 110.449 108.800 0.117 0.000 2.349 466 G HA2 0.514 4.475 3.960 0.001 0.000 0.294 466 G HA3 0.514 4.475 3.960 0.001 0.000 0.294 466 G C -3.483 171.506 174.900 0.148 0.000 1.380 466 G CA -0.986 44.185 45.100 0.119 0.000 0.811 466 G HN 0.036 nan 8.290 nan 0.000 0.519 467 P HA 0.423 nan 4.420 nan 0.000 0.281 467 P C 0.248 177.563 177.300 0.025 0.000 1.249 467 P CA -0.230 62.892 63.100 0.037 0.000 0.810 467 P CB 2.030 33.736 31.700 0.010 0.000 1.008 468 V N 2.820 122.725 119.914 -0.016 0.000 3.096 468 V HA 0.029 4.150 4.120 0.001 0.000 0.306 468 V C 0.850 176.941 176.094 -0.005 0.000 1.088 468 V CA -0.283 62.016 62.300 -0.003 0.000 1.129 468 V CB 0.140 31.945 31.823 -0.031 0.000 1.014 468 V HN 0.586 nan 8.190 nan 0.000 0.486 469 K N 4.126 124.533 120.400 0.011 0.000 2.412 469 K HA 0.351 4.672 4.320 0.001 0.000 0.284 469 K C 0.222 176.829 176.600 0.011 0.000 1.046 469 K CA 0.325 56.622 56.287 0.017 0.000 0.999 469 K CB 0.194 32.713 32.500 0.033 0.000 0.941 469 K HN 0.889 nan 8.250 nan 0.000 0.474 470 G N 2.135 110.931 108.800 -0.006 0.000 2.535 470 G HA2 0.108 4.069 3.960 0.001 0.000 0.303 470 G HA3 0.108 4.069 3.960 0.001 0.000 0.303 470 G C 0.529 175.364 174.900 -0.108 0.000 1.237 470 G CA -0.537 44.547 45.100 -0.026 0.000 0.986 470 G HN 0.674 nan 8.290 nan 0.000 0.494 471 T N -0.840 113.591 114.554 -0.204 0.000 2.851 471 T HA -0.044 4.307 4.350 0.001 0.000 0.262 471 T C 1.417 175.656 174.700 -0.768 0.000 1.043 471 T CA 1.356 63.114 62.100 -0.570 0.000 1.140 471 T CB -0.064 68.376 68.868 -0.714 0.000 0.872 471 T HN 0.650 nan 8.240 nan 0.000 0.446 472 W N 1.427 122.735 121.300 0.014 0.000 2.782 472 W HA 0.330 4.991 4.660 0.001 0.000 0.268 472 W C 0.639 177.168 176.519 0.018 0.000 1.043 472 W CA -0.666 56.688 57.345 0.015 0.000 1.387 472 W CB 0.820 30.286 29.460 0.009 0.000 0.904 472 W HN 0.216 nan 8.180 nan 0.000 0.625 473 E N 0.146 120.454 120.200 0.180 0.000 2.430 473 E HA 0.288 4.639 4.350 0.001 0.000 0.279 473 E C -0.706 175.931 176.600 0.062 0.000 1.003 473 E CA -1.023 55.446 56.400 0.116 0.000 0.801 473 E CB 0.559 30.328 29.700 0.116 0.000 1.313 473 E HN -0.296 nan 8.360 nan 0.000 0.459 474 N N 0.201 118.930 118.700 0.049 0.000 2.454 474 N HA 0.212 4.953 4.740 0.001 0.000 0.254 474 N C 0.917 176.430 175.510 0.005 0.000 1.228 474 N CA 1.575 54.641 53.050 0.027 0.000 0.900 474 N CB 0.906 39.414 38.487 0.035 0.000 1.089 474 N HN 0.928 nan 8.380 nan 0.000 0.449 475 G N 0.818 109.601 108.800 -0.028 0.000 2.168 475 G HA2 -0.263 3.698 3.960 0.001 0.000 0.263 475 G HA3 -0.263 3.698 3.960 0.001 0.000 0.263 475 G C -0.054 174.802 174.900 -0.073 0.000 0.977 475 G CA 0.140 45.184 45.100 -0.095 0.000 0.659 475 G HN 0.569 nan 8.290 nan 0.000 0.533 476 I N 0.178 120.743 120.570 -0.008 0.000 2.534 476 I HA 0.561 4.732 4.170 0.001 0.000 0.288 476 I C -0.095 176.059 176.117 0.062 0.000 1.077 476 I CA -1.399 59.931 61.300 0.050 0.000 1.051 476 I CB 2.401 40.428 38.000 0.045 0.000 1.234 476 I HN 0.200 nan 8.210 nan 0.000 0.425 477 V N 0.868 120.843 119.914 0.100 0.000 2.588 477 V HA 0.556 4.676 4.120 0.001 0.000 0.304 477 V C -0.580 175.575 176.094 0.103 0.000 1.042 477 V CA -0.771 61.566 62.300 0.061 0.000 0.877 477 V CB 1.762 33.625 31.823 0.067 0.000 0.996 477 V HN 0.505 nan 8.190 nan 0.000 0.425 478 D N 2.231 122.667 120.400 0.059 0.000 2.472 478 D HA 0.068 4.708 4.640 0.001 0.000 0.237 478 D C 0.537 176.858 176.300 0.035 0.000 1.141 478 D CA 0.376 54.442 54.000 0.111 0.000 0.875 478 D CB 0.721 41.577 40.800 0.093 0.000 1.192 478 D HN 0.837 nan 8.370 nan 0.000 0.450 479 Y N 3.242 123.547 120.300 0.008 0.000 2.207 479 Y HA -0.232 4.319 4.550 0.001 0.000 0.287 479 Y C 2.301 178.146 175.900 -0.093 0.000 1.156 479 Y CA 1.750 59.820 58.100 -0.050 0.000 1.182 479 Y CB 0.101 38.573 38.460 0.020 0.000 0.979 479 Y HN 0.399 nan 8.280 nan 0.000 0.521 480 R N -0.101 120.349 120.500 -0.084 0.000 2.103 480 R HA -0.215 4.126 4.340 0.001 0.000 0.242 480 R C 2.035 178.139 176.300 -0.326 0.000 1.142 480 R CA 1.981 57.985 56.100 -0.160 0.000 0.960 480 R CB -0.151 30.144 30.300 -0.009 0.000 0.858 480 R HN 0.376 nan 8.270 nan 0.000 0.439 481 Q N 0.356 119.958 119.800 -0.330 0.000 2.172 481 Q HA -0.071 4.270 4.340 0.001 0.000 0.200 481 Q C 2.200 177.746 176.000 -0.758 0.000 0.964 481 Q CA 1.161 56.676 55.803 -0.480 0.000 0.855 481 Q CB -0.096 28.391 28.738 -0.419 0.000 0.918 481 Q HN 0.487 nan 8.270 nan 0.000 0.444 482 I N 0.504 120.673 120.570 -0.669 0.000 2.179 482 I HA -0.248 3.922 4.170 0.001 0.000 0.242 482 I C 2.261 177.976 176.117 -0.669 0.000 1.088 482 I CA 1.180 62.067 61.300 -0.687 0.000 1.357 482 I CB -0.458 37.095 38.000 -0.744 0.000 1.051 482 I HN 0.048 nan 8.210 nan 0.000 0.409 483 A N -0.393 121.989 122.820 -0.730 0.000 1.969 483 A HA -0.197 4.124 4.320 0.001 0.000 0.218 483 A C 2.483 179.854 177.584 -0.354 0.000 1.169 483 A CA 2.107 53.844 52.037 -0.499 0.000 0.635 483 A CB -0.568 18.098 19.000 -0.557 0.000 0.810 483 A HN 0.405 nan 8.150 nan 0.000 0.445 484 S N -1.206 114.248 115.700 -0.410 0.000 2.388 484 S HA -0.091 4.379 4.470 0.001 0.000 0.223 484 S C 1.994 176.379 174.600 -0.359 0.000 1.034 484 S CA 1.411 59.419 58.200 -0.321 0.000 0.963 484 S CB -0.157 62.870 63.200 -0.288 0.000 0.827 484 S HN 0.692 nan 8.310 nan 0.000 0.481 485 Q N -1.183 118.252 119.800 -0.608 0.000 2.391 485 Q HA 0.242 4.583 4.340 0.001 0.000 0.243 485 Q C 0.121 175.800 176.000 -0.535 0.000 0.874 485 Q CA 0.250 55.688 55.803 -0.608 0.000 0.950 485 Q CB 0.281 28.514 28.738 -0.843 0.000 1.103 485 Q HN 0.534 nan 8.270 nan 0.000 0.544 486 F N -0.119 119.491 119.950 -0.567 0.000 2.730 486 F HA 0.292 4.819 4.527 0.001 0.000 0.295 486 F C 0.793 176.341 175.800 -0.421 0.000 1.143 486 F CA 0.026 57.434 58.000 -0.986 0.000 1.367 486 F CB 0.417 38.541 39.000 -1.460 0.000 0.970 486 F HN 0.022 nan 8.300 nan 0.000 0.514 487 M N -0.228 119.340 119.600 -0.054 0.000 2.589 487 M HA 0.254 4.734 4.480 0.001 0.000 0.344 487 M C 0.228 176.588 176.300 0.101 0.000 1.168 487 M CA 0.180 55.521 55.300 0.068 0.000 0.956 487 M CB -0.618 31.973 32.600 -0.015 0.000 1.370 487 M HN 0.180 nan 8.290 nan 0.000 0.518 488 S N -2.195 113.606 115.700 0.168 0.000 2.757 488 S HA 0.880 5.351 4.470 0.001 0.000 0.285 488 S C 0.397 175.165 174.600 0.280 0.000 1.196 488 S CA -0.113 58.192 58.200 0.174 0.000 0.856 488 S CB 1.336 64.594 63.200 0.096 0.000 1.212 488 S HN 0.514 nan 8.310 nan 0.000 0.516 489 G N 1.267 110.177 108.800 0.184 0.000 2.574 489 G HA2 -0.327 3.633 3.960 0.001 0.000 0.286 489 G HA3 -0.327 3.633 3.960 0.001 0.000 0.286 489 G C 0.487 175.461 174.900 0.122 0.000 1.212 489 G CA 0.683 45.877 45.100 0.157 0.000 0.979 489 G HN 1.104 nan 8.290 nan 0.000 0.557 490 E N -0.064 120.150 120.200 0.024 0.000 2.482 490 E HA 0.001 4.352 4.350 0.001 0.000 0.196 490 E C 0.247 176.772 176.600 -0.126 0.000 1.047 490 E CA -0.196 56.142 56.400 -0.104 0.000 0.869 490 E CB 0.015 29.566 29.700 -0.248 0.000 0.836 490 E HN 0.389 nan 8.360 nan 0.000 0.520 491 W N 2.518 123.834 121.300 0.026 0.000 2.381 491 W HA 0.052 4.713 4.660 0.001 0.000 0.321 491 W C 0.517 177.094 176.519 0.096 0.000 1.407 491 W CA -0.402 56.969 57.345 0.044 0.000 1.274 491 W CB 0.419 29.941 29.460 0.103 0.000 1.310 491 W HN -0.067 nan 8.180 nan 0.000 0.551 492 Q N 2.827 122.805 119.800 0.296 0.000 2.293 492 Q HA 0.142 4.483 4.340 0.001 0.000 0.251 492 Q C -1.157 175.020 176.000 0.296 0.000 0.930 492 Q CA -0.524 55.432 55.803 0.256 0.000 0.893 492 Q CB 1.575 30.446 28.738 0.222 0.000 1.215 492 Q HN 0.521 nan 8.270 nan 0.000 0.425 493 Y N 0.703 121.077 120.300 0.123 0.000 2.376 493 Y HA 0.380 4.930 4.550 0.001 0.000 0.340 493 Y C -0.975 174.906 175.900 -0.030 0.000 0.965 493 Y CA -0.337 57.817 58.100 0.090 0.000 1.078 493 Y CB 1.852 40.397 38.460 0.142 0.000 1.193 493 Y HN 0.444 nan 8.280 nan 0.000 0.452 494 T N 5.921 120.261 114.554 -0.358 0.000 2.952 494 T HA 0.216 4.567 4.350 0.001 0.000 0.305 494 T C -2.144 172.426 174.700 -0.217 0.000 1.064 494 T CA -0.561 61.381 62.100 -0.264 0.000 1.008 494 T CB 0.868 69.365 68.868 -0.618 0.000 1.078 494 T HN 0.473 nan 8.240 nan 0.000 0.459 495 Y N 2.976 123.293 120.300 0.028 0.000 2.356 495 Y HA 0.364 4.915 4.550 0.001 0.000 0.334 495 Y C -0.141 175.823 175.900 0.106 0.000 0.958 495 Y CA -1.012 57.132 58.100 0.074 0.000 1.196 495 Y CB 0.726 39.278 38.460 0.153 0.000 1.137 495 Y HN 0.543 nan 8.280 nan 0.000 0.485 496 D N 5.065 125.286 120.400 -0.298 0.000 2.344 496 D HA 0.131 4.772 4.640 0.001 0.000 0.253 496 D C 0.655 176.765 176.300 -0.316 0.000 1.255 496 D CA 0.447 54.374 54.000 -0.121 0.000 0.894 496 D CB 1.431 42.219 40.800 -0.020 0.000 1.067 496 D HN 0.816 nan 8.370 nan 0.000 0.492 497 A N 3.287 126.113 122.820 0.010 0.000 2.119 497 A HA -0.061 4.260 4.320 0.001 0.000 0.216 497 A C 1.982 179.569 177.584 0.006 0.000 1.152 497 A CA 0.896 53.009 52.037 0.126 0.000 0.708 497 A CB 0.023 19.144 19.000 0.201 0.000 0.805 497 A HN 0.580 nan 8.150 nan 0.000 0.460 498 T N -0.087 114.430 114.554 -0.061 0.000 2.770 498 T HA 0.110 4.460 4.350 0.001 0.000 0.258 498 T C 2.163 176.756 174.700 -0.177 0.000 1.039 498 T CA 1.354 63.392 62.100 -0.103 0.000 1.143 498 T CB -0.239 68.556 68.868 -0.122 0.000 0.866 498 T HN 0.509 nan 8.240 nan 0.000 0.428 499 A N 0.481 123.139 122.820 -0.270 0.000 2.132 499 A HA 0.138 4.459 4.320 0.001 0.000 0.213 499 A C 0.495 177.872 177.584 -0.345 0.000 1.154 499 A CA 0.294 52.125 52.037 -0.343 0.000 0.753 499 A CB 0.006 18.715 19.000 -0.485 0.000 0.826 499 A HN 0.416 nan 8.150 nan 0.000 0.469 500 E N -1.643 118.342 120.200 -0.358 0.000 2.266 500 E HA -0.162 4.188 4.350 0.001 0.000 0.209 500 E C -0.246 176.070 176.600 -0.473 0.000 1.286 500 E CA 0.830 57.054 56.400 -0.293 0.000 0.677 500 E CB -2.184 27.474 29.700 -0.071 0.000 1.173 500 E HN 1.170 nan 8.360 nan 0.000 0.384 501 A N 1.080 123.387 122.820 -0.854 0.000 2.513 501 A HA 0.728 5.049 4.320 0.001 0.000 0.296 501 A C -2.774 174.421 177.584 -0.648 0.000 1.052 501 A CA -1.107 50.507 52.037 -0.706 0.000 0.714 501 A CB 2.330 20.800 19.000 -0.882 0.000 1.279 501 A HN 0.004 nan 8.150 nan 0.000 0.397 502 P HA 0.723 nan 4.420 nan 0.000 0.287 502 P C -1.690 175.419 177.300 -0.319 0.000 1.279 502 P CA -0.267 62.589 63.100 -0.405 0.000 0.867 502 P CB 1.274 32.734 31.700 -0.401 0.000 1.127 503 Y N -1.081 119.039 120.300 -0.300 0.000 2.558 503 Y HA 0.574 5.125 4.550 0.001 0.000 0.333 503 Y C -1.324 174.638 175.900 0.105 0.000 1.125 503 Y CA -1.618 56.536 58.100 0.090 0.000 1.039 503 Y CB 0.552 39.208 38.460 0.327 0.000 1.331 503 Y HN 0.312 nan 8.280 nan 0.000 0.456 504 V N 0.717 120.885 119.914 0.423 0.000 2.581 504 V HA 0.816 4.937 4.120 0.001 0.000 0.303 504 V C -1.374 175.064 176.094 0.573 0.000 1.041 504 V CA -0.874 61.644 62.300 0.363 0.000 0.907 504 V CB 1.865 33.861 31.823 0.289 0.000 0.994 504 V HN 0.884 nan 8.190 nan 0.000 0.442 505 F N 2.795 122.945 119.950 0.334 0.000 2.569 505 F HA 0.633 5.160 4.527 0.001 0.000 0.312 505 F C -0.344 175.424 175.800 -0.054 0.000 1.109 505 F CA -0.992 57.096 58.000 0.147 0.000 0.919 505 F CB 2.234 41.239 39.000 0.008 0.000 1.211 505 F HN 0.702 nan 8.300 nan 0.000 0.446 506 K N 8.052 127.793 120.400 -1.098 0.000 2.478 506 K HA 0.389 4.710 4.320 0.001 0.000 0.236 506 K C -2.291 173.576 176.600 -1.223 0.000 1.021 506 K CA -1.905 53.657 56.287 -1.208 0.000 1.010 506 K CB 1.370 32.862 32.500 -1.680 0.000 1.331 506 K HN 0.276 nan 8.250 nan 0.000 0.470 507 P HA -0.324 nan 4.420 nan 0.000 0.217 507 P C 1.221 178.314 177.300 -0.345 0.000 1.158 507 P CA 1.847 64.634 63.100 -0.523 0.000 0.887 507 P CB 0.212 31.844 31.700 -0.114 0.000 0.792 508 S N -1.155 114.352 115.700 -0.321 0.000 2.359 508 S HA -0.208 4.263 4.470 0.001 0.000 0.223 508 S C 1.914 176.382 174.600 -0.220 0.000 1.039 508 S CA 2.442 60.508 58.200 -0.223 0.000 1.042 508 S CB -2.172 60.900 63.200 -0.213 0.000 0.915 508 S HN 0.340 nan 8.310 nan 0.000 0.439 509 T N -2.936 111.431 114.554 -0.312 0.000 3.081 509 T HA 0.504 4.855 4.350 0.001 0.000 0.250 509 T C 1.576 176.143 174.700 -0.223 0.000 1.100 509 T CA 0.597 62.553 62.100 -0.239 0.000 1.038 509 T CB -0.205 68.515 68.868 -0.246 0.000 0.962 509 T HN 1.360 nan 8.240 nan 0.000 0.516 510 G N 1.784 110.376 108.800 -0.346 0.000 2.153 510 G HA2 -0.206 3.754 3.960 0.001 0.000 0.252 510 G HA3 -0.206 3.754 3.960 0.001 0.000 0.252 510 G C -0.406 174.395 174.900 -0.166 0.000 0.994 510 G CA -0.020 44.951 45.100 -0.216 0.000 0.698 510 G HN 0.579 nan 8.290 nan 0.000 0.521 511 D N 0.046 120.242 120.400 -0.341 0.000 2.371 511 D HA 0.408 5.048 4.640 0.001 0.000 0.256 511 D C 0.218 176.560 176.300 0.069 0.000 1.193 511 D CA 0.260 54.187 54.000 -0.122 0.000 0.881 511 D CB 1.643 42.337 40.800 -0.176 0.000 1.143 511 D HN 0.266 nan 8.370 nan 0.000 0.473 512 L N 4.201 125.603 121.223 0.298 0.000 2.356 512 L HA 0.521 4.861 4.340 0.001 0.000 0.277 512 L C -1.209 175.878 176.870 0.361 0.000 0.996 512 L CA -0.510 54.592 54.840 0.438 0.000 0.822 512 L CB 1.450 43.736 42.059 0.378 0.000 1.256 512 L HN 0.266 nan 8.230 nan 0.000 0.413 513 I N 3.592 124.372 120.570 0.350 0.000 2.466 513 I HA 0.378 4.549 4.170 0.001 0.000 0.289 513 I C -0.471 175.962 176.117 0.526 0.000 1.026 513 I CA -0.507 60.956 61.300 0.271 0.000 1.078 513 I CB 2.252 40.298 38.000 0.077 0.000 1.249 513 I HN 0.587 nan 8.210 nan 0.000 0.429 514 T N 6.427 121.264 114.554 0.473 0.000 2.797 514 T HA 0.787 5.138 4.350 0.001 0.000 0.279 514 T C -0.774 174.211 174.700 0.475 0.000 0.991 514 T CA -0.257 62.160 62.100 0.528 0.000 0.979 514 T CB 0.572 69.745 68.868 0.508 0.000 0.943 514 T HN 0.449 nan 8.240 nan 0.000 0.444 515 F N 1.308 121.357 119.950 0.165 0.000 3.090 515 F HA 0.784 5.311 4.527 0.001 0.000 0.324 515 F C -1.393 174.453 175.800 0.075 0.000 1.189 515 F CA -1.436 56.609 58.000 0.076 0.000 0.907 515 F CB 0.358 39.435 39.000 0.127 0.000 1.445 515 F HN 0.278 nan 8.300 nan 0.000 0.500 516 D N 0.602 121.082 120.400 0.134 0.000 2.248 516 D HA 0.445 5.086 4.640 0.001 0.000 0.246 516 D C -1.301 175.094 176.300 0.159 0.000 1.027 516 D CA 0.118 54.124 54.000 0.010 0.000 0.853 516 D CB 1.870 42.648 40.800 -0.037 0.000 1.243 516 D HN 0.701 nan 8.370 nan 0.000 0.462 517 D N -0.573 119.892 120.400 0.109 0.000 2.714 517 D HA 0.436 5.076 4.640 0.001 0.000 0.278 517 D C 0.723 177.070 176.300 0.077 0.000 1.102 517 D CA -0.691 53.437 54.000 0.214 0.000 1.108 517 D CB 0.362 41.446 40.800 0.474 0.000 1.444 517 D HN 0.210 nan 8.370 nan 0.000 0.568 518 A N -0.067 122.801 122.820 0.081 0.000 1.917 518 A HA -0.242 4.079 4.320 0.001 0.000 0.219 518 A C 2.173 179.768 177.584 0.020 0.000 1.182 518 A CA 2.368 54.420 52.037 0.026 0.000 0.633 518 A CB -0.810 18.218 19.000 0.046 0.000 0.819 518 A HN 0.607 nan 8.150 nan 0.000 0.448 519 R N 0.001 120.513 120.500 0.019 0.000 2.062 519 R HA -0.118 4.223 4.340 0.001 0.000 0.229 519 R C 2.528 178.872 176.300 0.073 0.000 1.128 519 R CA 1.888 57.949 56.100 -0.066 0.000 0.960 519 R CB -0.298 29.764 30.300 -0.396 0.000 0.855 519 R HN 0.669 nan 8.270 nan 0.000 0.432 520 S N -0.373 115.471 115.700 0.239 0.000 2.402 520 S HA -0.081 4.390 4.470 0.001 0.000 0.229 520 S C 2.027 176.677 174.600 0.083 0.000 1.021 520 S CA 1.223 59.551 58.200 0.213 0.000 0.974 520 S CB -0.406 62.865 63.200 0.117 0.000 0.800 520 S HN 0.149 nan 8.310 nan 0.000 0.484 521 V N 2.116 122.056 119.914 0.044 0.000 2.427 521 V HA -0.158 3.962 4.120 0.001 0.000 0.248 521 V C 2.969 179.076 176.094 0.022 0.000 1.051 521 V CA 2.130 64.437 62.300 0.011 0.000 1.048 521 V CB -0.991 30.814 31.823 -0.030 0.000 0.666 521 V HN 0.528 nan 8.190 nan 0.000 0.456 522 Q N 0.972 120.786 119.800 0.022 0.000 2.124 522 Q HA -0.150 4.191 4.340 0.001 0.000 0.202 522 Q C 2.080 178.108 176.000 0.046 0.000 0.977 522 Q CA 2.310 58.126 55.803 0.021 0.000 0.850 522 Q CB -0.607 28.134 28.738 0.005 0.000 0.901 522 Q HN 0.573 nan 8.270 nan 0.000 0.429 523 A N 0.472 123.330 122.820 0.063 0.000 1.902 523 A HA -0.186 4.134 4.320 0.001 0.000 0.217 523 A C 2.001 179.646 177.584 0.102 0.000 1.181 523 A CA 1.673 53.757 52.037 0.078 0.000 0.623 523 A CB -0.425 18.625 19.000 0.084 0.000 0.818 523 A HN 0.418 nan 8.150 nan 0.000 0.443 524 K N -0.789 119.667 120.400 0.092 0.000 2.057 524 K HA -0.072 4.249 4.320 0.001 0.000 0.206 524 K C 2.161 178.863 176.600 0.169 0.000 1.050 524 K CA 1.025 57.400 56.287 0.146 0.000 0.935 524 K CB -0.429 32.129 32.500 0.097 0.000 0.715 524 K HN 0.458 nan 8.250 nan 0.000 0.439 525 G N 1.876 110.733 108.800 0.095 0.000 2.421 525 G HA2 -0.294 3.667 3.960 0.001 0.000 0.216 525 G HA3 -0.294 3.667 3.960 0.001 0.000 0.216 525 G C 1.457 176.399 174.900 0.070 0.000 1.171 525 G CA 0.782 45.922 45.100 0.066 0.000 0.775 525 G HN 0.220 nan 8.290 nan 0.000 0.543 526 K N -0.706 119.743 120.400 0.083 0.000 2.057 526 K HA -0.163 4.158 4.320 0.001 0.000 0.207 526 K C 2.197 178.861 176.600 0.106 0.000 1.049 526 K CA 1.236 57.569 56.287 0.077 0.000 0.931 526 K CB -0.368 32.177 32.500 0.076 0.000 0.714 526 K HN 0.337 nan 8.250 nan 0.000 0.440 527 Y N 1.283 121.593 120.300 0.016 0.000 2.165 527 Y HA -0.249 4.302 4.550 0.001 0.000 0.286 527 Y C 1.814 177.726 175.900 0.019 0.000 1.155 527 Y CA 1.420 59.529 58.100 0.016 0.000 1.164 527 Y CB -0.498 37.972 38.460 0.017 0.000 0.978 527 Y HN -0.158 nan 8.280 nan 0.000 0.513 528 V N 0.583 120.449 119.914 -0.080 0.000 2.295 528 V HA -0.341 3.779 4.120 0.001 0.000 0.246 528 V C 2.576 178.593 176.094 -0.129 0.000 1.049 528 V CA 2.141 64.345 62.300 -0.159 0.000 1.024 528 V CB -0.833 30.980 31.823 -0.017 0.000 0.648 528 V HN 0.462 nan 8.190 nan 0.000 0.447 529 L N -0.312 120.878 121.223 -0.054 0.000 2.017 529 L HA -0.190 4.151 4.340 0.001 0.000 0.208 529 L C 2.445 179.283 176.870 -0.053 0.000 1.073 529 L CA 1.700 56.518 54.840 -0.035 0.000 0.745 529 L CB -0.852 41.204 42.059 -0.004 0.000 0.894 529 L HN 0.348 nan 8.230 nan 0.000 0.432 530 D N 0.208 120.575 120.400 -0.055 0.000 2.104 530 D HA -0.151 4.489 4.640 0.001 0.000 0.194 530 D C 1.879 178.125 176.300 -0.090 0.000 0.994 530 D CA 1.225 55.196 54.000 -0.048 0.000 0.830 530 D CB -0.113 40.683 40.800 -0.005 0.000 0.959 530 D HN 0.151 nan 8.370 nan 0.000 0.452 531 K N 0.739 121.022 120.400 -0.195 0.000 2.458 531 K HA 0.070 4.390 4.320 0.001 0.000 0.194 531 K C 0.116 176.627 176.600 -0.149 0.000 1.024 531 K CA -0.012 56.152 56.287 -0.205 0.000 1.108 531 K CB 0.116 32.380 32.500 -0.394 0.000 0.846 531 K HN 0.298 nan 8.250 nan 0.000 0.518 532 Q N 0.773 120.504 119.800 -0.114 0.000 2.451 532 Q HA -0.199 4.141 4.340 0.001 0.000 0.305 532 Q C -0.317 175.640 176.000 -0.071 0.000 1.345 532 Q CA 0.409 56.170 55.803 -0.070 0.000 0.854 532 Q CB -2.048 26.664 28.738 -0.044 0.000 1.162 532 Q HN 0.331 nan 8.270 nan 0.000 0.440 533 L N -1.641 119.521 121.223 -0.102 0.000 2.490 533 L HA 0.285 4.626 4.340 0.001 0.000 0.245 533 L C 1.896 178.754 176.870 -0.021 0.000 1.185 533 L CA 0.405 55.202 54.840 -0.073 0.000 0.813 533 L CB 0.042 42.034 42.059 -0.112 0.000 1.233 533 L HN 0.317 nan 8.230 nan 0.000 0.489 534 G N -1.237 107.567 108.800 0.008 0.000 2.421 534 G HA2 0.339 4.300 3.960 0.001 0.000 0.217 534 G HA3 0.339 4.300 3.960 0.001 0.000 0.217 534 G C 0.545 175.464 174.900 0.032 0.000 1.143 534 G CA 0.803 45.924 45.100 0.034 0.000 0.784 534 G HN 0.938 nan 8.290 nan 0.000 0.541 535 G N -1.407 107.423 108.800 0.051 0.000 2.403 535 G HA2 0.330 4.291 3.960 0.001 0.000 0.223 535 G HA3 0.330 4.291 3.960 0.001 0.000 0.223 535 G C -1.713 173.265 174.900 0.130 0.000 1.287 535 G CA -0.686 44.456 45.100 0.069 0.000 0.982 535 G HN 0.445 nan 8.290 nan 0.000 0.471 536 L N 0.058 121.374 121.223 0.155 0.000 2.393 536 L HA 0.879 5.219 4.340 0.001 0.000 0.260 536 L C -0.745 176.300 176.870 0.293 0.000 1.002 536 L CA -0.973 53.983 54.840 0.192 0.000 0.818 536 L CB 2.347 44.458 42.059 0.085 0.000 1.369 536 L HN 0.895 nan 8.230 nan 0.000 0.412 537 F N -0.259 119.782 119.950 0.151 0.000 2.645 537 F HA 0.869 5.397 4.527 0.001 0.000 0.310 537 F C -0.833 175.089 175.800 0.204 0.000 1.102 537 F CA -0.772 57.315 58.000 0.144 0.000 0.952 537 F CB 1.777 40.849 39.000 0.119 0.000 1.326 537 F HN 0.405 nan 8.300 nan 0.000 0.456 538 S N 1.261 117.014 115.700 0.089 0.000 2.570 538 S HA 0.461 4.931 4.470 0.001 0.000 0.286 538 S C -1.837 172.920 174.600 0.261 0.000 1.099 538 S CA -0.680 57.527 58.200 0.012 0.000 0.913 538 S CB 1.918 65.118 63.200 -0.000 0.000 1.085 538 S HN 1.138 nan 8.310 nan 0.000 0.480 539 W N 4.268 125.575 121.300 0.012 0.000 2.316 539 W HA 0.322 4.982 4.660 0.001 0.000 0.308 539 W C -0.309 176.221 176.519 0.018 0.000 1.106 539 W CA -0.125 57.240 57.345 0.034 0.000 1.262 539 W CB 0.028 29.409 29.460 -0.133 0.000 1.233 539 W HN 1.145 nan 8.180 nan 0.000 0.447 540 E N 3.892 123.493 120.200 -0.999 0.000 5.191 540 E HA -0.343 4.007 4.350 0.001 0.000 0.242 540 E C -0.006 176.290 176.600 -0.507 0.000 1.756 540 E CA 0.487 56.324 56.400 -0.939 0.000 1.170 540 E CB -1.052 27.835 29.700 -1.354 0.000 0.962 540 E HN 0.572 nan 8.360 nan 0.000 0.326 541 I N 3.532 123.871 120.570 -0.384 0.000 2.399 541 I HA -0.299 3.871 4.170 0.001 0.000 0.254 541 I C 2.081 177.810 176.117 -0.646 0.000 1.146 541 I CA 2.325 63.441 61.300 -0.307 0.000 1.412 541 I CB -0.332 37.611 38.000 -0.095 0.000 1.076 541 I HN 0.730 nan 8.210 nan 0.000 0.432 542 D N 0.450 120.243 120.400 -1.011 0.000 2.263 542 D HA -0.176 4.465 4.640 0.001 0.000 0.208 542 D C 1.792 177.708 176.300 -0.639 0.000 0.971 542 D CA 1.179 54.248 54.000 -1.552 0.000 0.867 542 D CB -0.201 39.949 40.800 -1.083 0.000 0.929 542 D HN 0.466 nan 8.370 nan 0.000 0.492 543 A N 0.274 122.895 122.820 -0.333 0.000 2.218 543 A HA 0.025 4.346 4.320 0.001 0.000 0.209 543 A C 0.724 178.334 177.584 0.043 0.000 1.168 543 A CA 0.064 52.068 52.037 -0.054 0.000 0.804 543 A CB -0.063 18.963 19.000 0.043 0.000 0.834 543 A HN 0.136 nan 8.150 nan 0.000 0.482 544 D N -0.093 120.300 120.400 -0.011 0.000 2.225 544 D HA 0.220 4.860 4.640 0.001 0.000 0.249 544 D C 0.711 177.099 176.300 0.146 0.000 1.052 544 D CA -0.233 53.828 54.000 0.101 0.000 0.909 544 D CB 0.733 41.538 40.800 0.010 0.000 1.186 544 D HN 0.234 nan 8.370 nan 0.000 0.431 545 N N 2.175 121.015 118.700 0.234 0.000 2.280 545 N HA 0.167 4.908 4.740 0.001 0.000 0.192 545 N C 1.168 176.773 175.510 0.159 0.000 1.109 545 N CA 0.562 53.721 53.050 0.182 0.000 0.855 545 N CB 0.829 39.416 38.487 0.166 0.000 0.974 545 N HN 0.570 nan 8.380 nan 0.000 0.482 546 G N 0.191 109.076 108.800 0.140 0.000 2.352 546 G HA2 -0.256 3.704 3.960 0.001 0.000 0.204 546 G HA3 -0.256 3.704 3.960 0.001 0.000 0.204 546 G C 0.615 175.564 174.900 0.082 0.000 1.004 546 G CA 0.240 45.406 45.100 0.110 0.000 0.648 546 G HN 0.280 nan 8.290 nan 0.000 0.491 547 D N 1.028 121.487 120.400 0.099 0.000 2.123 547 D HA -0.080 4.560 4.640 0.001 0.000 0.196 547 D C 2.585 178.842 176.300 -0.072 0.000 0.992 547 D CA 1.312 55.343 54.000 0.051 0.000 0.833 547 D CB -0.042 40.843 40.800 0.142 0.000 0.954 547 D HN 0.399 nan 8.370 nan 0.000 0.455 548 I N 0.522 120.974 120.570 -0.196 0.000 2.163 548 I HA -0.172 3.998 4.170 0.001 0.000 0.240 548 I C 2.478 178.528 176.117 -0.112 0.000 1.081 548 I CA 0.571 61.742 61.300 -0.214 0.000 1.353 548 I CB -1.122 36.705 38.000 -0.289 0.000 1.054 548 I HN 0.040 nan 8.210 nan 0.000 0.407 549 L N 1.492 122.674 121.223 -0.069 0.000 2.131 549 L HA -0.141 4.200 4.340 0.001 0.000 0.210 549 L C 2.093 178.908 176.870 -0.092 0.000 1.092 549 L CA 1.697 56.505 54.840 -0.053 0.000 0.759 549 L CB -0.915 41.142 42.059 -0.003 0.000 0.903 549 L HN 0.191 nan 8.230 nan 0.000 0.435 550 N N -1.002 117.678 118.700 -0.033 0.000 2.084 550 N HA -0.178 4.563 4.740 0.001 0.000 0.190 550 N C 2.068 177.471 175.510 -0.180 0.000 1.030 550 N CA 1.506 54.544 53.050 -0.020 0.000 0.849 550 N CB -0.484 38.103 38.487 0.167 0.000 1.012 550 N HN 0.390 nan 8.380 nan 0.000 0.423 551 S N 0.271 115.916 115.700 -0.092 0.000 2.383 551 S HA 0.027 4.497 4.470 0.001 0.000 0.227 551 S C 1.942 176.468 174.600 -0.124 0.000 1.026 551 S CA 0.696 58.845 58.200 -0.085 0.000 0.981 551 S CB -0.048 63.123 63.200 -0.048 0.000 0.818 551 S HN 0.191 nan 8.310 nan 0.000 0.472 552 M N 1.403 120.923 119.600 -0.132 0.000 2.065 552 M HA -0.130 4.351 4.480 0.001 0.000 0.259 552 M C 2.193 178.396 176.300 -0.162 0.000 1.069 552 M CA 1.575 56.810 55.300 -0.108 0.000 1.110 552 M CB -0.635 31.917 32.600 -0.079 0.000 1.328 552 M HN 0.352 nan 8.290 nan 0.000 0.405 553 N N 0.468 118.979 118.700 -0.315 0.000 2.058 553 N HA -0.118 4.623 4.740 0.001 0.000 0.191 553 N C 1.794 177.068 175.510 -0.394 0.000 1.037 553 N CA 1.773 54.555 53.050 -0.447 0.000 0.848 553 N CB -0.250 37.674 38.487 -0.938 0.000 1.021 553 N HN 0.325 nan 8.380 nan 0.000 0.422 554 A N 1.387 123.927 122.820 -0.466 0.000 1.865 554 A HA -0.180 4.141 4.320 0.001 0.000 0.217 554 A C 2.451 180.007 177.584 -0.047 0.000 1.191 554 A CA 2.426 54.385 52.037 -0.130 0.000 0.623 554 A CB -1.000 17.998 19.000 -0.003 0.000 0.826 554 A HN 0.495 nan 8.150 nan 0.000 0.444 555 S N -0.176 115.491 115.700 -0.055 0.000 2.419 555 S HA -0.062 4.408 4.470 0.001 0.000 0.235 555 S C 1.609 176.206 174.600 -0.006 0.000 1.019 555 S CA 1.516 59.707 58.200 -0.015 0.000 0.982 555 S CB -0.592 62.604 63.200 -0.008 0.000 0.789 555 S HN 0.429 nan 8.310 nan 0.000 0.490 556 L N 0.780 121.989 121.223 -0.024 0.000 2.591 556 L HA 0.300 4.640 4.340 0.001 0.000 0.228 556 L C 1.861 178.736 176.870 0.007 0.000 1.133 556 L CA 0.420 55.257 54.840 -0.005 0.000 0.880 556 L CB -0.447 41.607 42.059 -0.008 0.000 1.033 556 L HN 0.642 nan 8.230 nan 0.000 0.450 557 G N -0.439 108.368 108.800 0.011 0.000 2.159 557 G HA2 -0.233 3.727 3.960 0.001 0.000 0.227 557 G HA3 -0.233 3.727 3.960 0.001 0.000 0.227 557 G C 0.041 174.975 174.900 0.057 0.000 0.986 557 G CA -0.424 44.697 45.100 0.035 0.000 0.651 557 G HN 0.308 nan 8.290 nan 0.000 0.523 558 N N 1.244 119.978 118.700 0.057 0.000 2.513 558 N HA 0.418 5.158 4.740 0.001 0.000 0.268 558 N C 0.596 176.235 175.510 0.215 0.000 1.180 558 N CA 0.430 53.548 53.050 0.114 0.000 0.948 558 N CB 1.113 39.658 38.487 0.098 0.000 1.083 558 N HN 0.315 nan 8.380 nan 0.000 0.455 559 S N 0.647 116.450 115.700 0.170 0.000 2.585 559 S HA 0.415 4.885 4.470 0.001 0.000 0.273 559 S C 0.902 175.581 174.600 0.131 0.000 1.339 559 S CA -0.748 57.534 58.200 0.137 0.000 1.028 559 S CB 1.270 64.513 63.200 0.071 0.000 0.906 559 S HN 0.674 nan 8.310 nan 0.000 0.528 560 A N 1.925 124.743 122.820 -0.003 0.000 3.155 560 A HA 0.841 5.162 4.320 0.001 0.000 0.170 560 A C 1.223 178.718 177.584 -0.147 0.000 2.084 560 A CA 0.395 52.287 52.037 -0.242 0.000 1.019 560 A CB -1.182 17.668 19.000 -0.251 0.000 1.912 560 A HN 1.823 nan 8.150 nan 0.000 0.816 561 G N -3.096 105.616 108.800 -0.145 0.000 2.513 561 G HA2 0.213 4.173 3.960 0.001 0.000 0.227 561 G HA3 0.213 4.173 3.960 0.001 0.000 0.227 561 G C -0.271 174.578 174.900 -0.086 0.000 1.176 561 G CA 0.075 45.125 45.100 -0.084 0.000 0.967 561 G HN 1.807 nan 8.290 nan 0.000 0.587 562 V N 0.000 119.885 119.914 -0.049 0.000 2.409 562 V HA 0.000 4.121 4.120 0.001 0.000 0.244 562 V CA 0.000 62.279 62.300 -0.034 0.000 1.235 562 V CB 0.000 31.806 31.823 -0.028 0.000 1.184 562 V HN 0.000 nan 8.190 nan 0.000 0.556