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 2wly_1_A DATA FIRST_RESID 24 DATA SEQUENCE AAPGKPTIAW GNTKFAIVEV DQAATAYNNL VKVKNAADVS VSWNLWNGDT DATA SEQUENCE GTTAKILLNG KEAWSGPSTG SSGTANFKVN KGGRYQMQVA LcNADGcTAS DATA SEQUENCE DATEIVVADT DGSHLAPLKE PLLEKNKPYK QNSGKVVGSY FVEWGVYGRN DATA SEQUENCE FTVDKIPAQN LTHLLYGFIP IcGGNGINDS LKEIEGSFQA LQRScQGRED DATA SEQUENCE FKVSIHDPFA 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 VNALLTQGVK 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 0.000 177.583 177.584 -0.002 0.000 1.274 24 A CA 0.000 52.037 52.037 0.001 0.000 0.836 24 A CB 0.000 19.003 19.000 0.005 0.000 0.831 25 A N 2.650 125.467 122.820 -0.005 0.000 2.448 25 A HA 0.627 4.947 4.320 0.001 0.000 0.239 25 A C -2.147 175.434 177.584 -0.006 0.000 1.080 25 A CA -0.550 51.482 52.037 -0.009 0.000 0.779 25 A CB -0.802 18.191 19.000 -0.012 0.000 1.026 25 A HN 0.592 nan 8.150 nan 0.000 0.499 26 P HA 0.234 nan 4.420 nan 0.000 0.269 26 P C 0.603 177.903 177.300 -0.000 0.000 1.217 26 P CA 0.369 63.465 63.100 -0.005 0.000 0.783 26 P CB 0.318 32.008 31.700 -0.016 0.000 0.898 27 G N 0.870 109.677 108.800 0.011 0.000 2.667 27 G HA2 0.142 4.102 3.960 0.001 0.000 0.250 27 G HA3 0.142 4.102 3.960 0.001 0.000 0.250 27 G C -0.583 174.325 174.900 0.014 0.000 1.212 27 G CA -0.482 44.631 45.100 0.022 0.000 0.874 27 G HN 0.489 nan 8.290 nan 0.000 0.561 28 K N 1.620 122.036 120.400 0.027 0.000 2.285 28 K HA 0.253 4.573 4.320 0.001 0.000 0.286 28 K C -2.034 174.585 176.600 0.031 0.000 1.072 28 K CA -1.470 54.828 56.287 0.017 0.000 0.913 28 K CB 0.955 33.471 32.500 0.026 0.000 1.067 28 K HN 0.221 nan 8.250 nan 0.000 0.479 29 P HA 0.134 nan 4.420 nan 0.000 0.276 29 P C -0.943 176.386 177.300 0.050 0.000 1.252 29 P CA -0.446 62.665 63.100 0.019 0.000 0.802 29 P CB 1.079 32.742 31.700 -0.062 0.000 1.035 30 T N 1.817 116.426 114.554 0.092 0.000 2.770 30 T HA 0.429 4.779 4.350 0.001 0.000 0.283 30 T C 0.475 175.228 174.700 0.088 0.000 0.988 30 T CA -0.383 61.783 62.100 0.111 0.000 0.957 30 T CB 0.150 69.187 68.868 0.281 0.000 0.930 30 T HN 0.206 nan 8.240 nan 0.000 0.443 31 I N 2.986 123.562 120.570 0.010 0.000 2.556 31 I HA 0.281 4.452 4.170 0.001 0.000 0.284 31 I C 1.050 177.113 176.117 -0.090 0.000 1.114 31 I CA -0.419 60.883 61.300 0.004 0.000 1.418 31 I CB 0.620 38.592 38.000 -0.046 0.000 1.394 31 I HN 0.639 nan 8.210 nan 0.000 0.552 32 A N 7.065 129.878 122.820 -0.011 0.000 2.440 32 A HA 0.154 4.475 4.320 0.001 0.000 0.251 32 A C -0.764 176.787 177.584 -0.055 0.000 1.089 32 A CA -0.351 51.673 52.037 -0.022 0.000 0.779 32 A CB -0.015 19.005 19.000 0.033 0.000 1.022 32 A HN 0.683 nan 8.150 nan 0.000 0.492 33 W N 1.666 123.027 121.300 0.102 0.000 2.409 33 W HA 0.362 5.022 4.660 0.001 0.000 0.338 33 W C 0.976 177.538 176.519 0.072 0.000 1.273 33 W CA 1.795 59.190 57.345 0.083 0.000 1.299 33 W CB 0.337 29.841 29.460 0.074 0.000 1.192 33 W HN 1.075 nan 8.180 nan 0.000 0.565 34 G N 1.906 110.898 108.800 0.319 0.000 2.349 34 G HA2 0.139 4.099 3.960 0.001 0.000 0.294 34 G HA3 0.139 4.099 3.960 0.001 0.000 0.294 34 G C -1.493 173.499 174.900 0.154 0.000 1.380 34 G CA -1.451 43.770 45.100 0.203 0.000 0.811 34 G HN 0.411 nan 8.290 nan 0.000 0.519 35 N N -0.271 118.479 118.700 0.083 0.000 2.412 35 N HA 0.255 4.996 4.740 0.001 0.000 0.258 35 N C 1.306 176.741 175.510 -0.125 0.000 1.236 35 N CA 1.074 54.083 53.050 -0.070 0.000 0.882 35 N CB 0.960 39.337 38.487 -0.183 0.000 1.066 35 N HN 0.704 nan 8.380 nan 0.000 0.465 36 T N -0.333 114.100 114.554 -0.201 0.000 3.132 36 T HA 0.259 4.610 4.350 0.001 0.000 0.274 36 T C -0.080 174.428 174.700 -0.321 0.000 1.011 36 T CA -0.243 61.807 62.100 -0.084 0.000 0.899 36 T CB -0.131 68.769 68.868 0.053 0.000 1.089 36 T HN 0.354 nan 8.240 nan 0.000 0.543 37 K N 1.285 121.177 120.400 -0.847 0.000 2.502 37 K HA 0.601 4.922 4.320 0.001 0.000 0.254 37 K C -1.607 174.413 176.600 -0.967 0.000 0.947 37 K CA -0.542 55.360 56.287 -0.641 0.000 0.834 37 K CB 1.544 33.761 32.500 -0.472 0.000 1.112 37 K HN 0.160 nan 8.250 nan 0.000 0.427 38 F N 0.605 120.473 119.950 -0.138 0.000 2.631 38 F HA 0.723 5.251 4.527 0.001 0.000 0.328 38 F C -0.104 175.597 175.800 -0.164 0.000 1.067 38 F CA -1.170 56.744 58.000 -0.144 0.000 0.969 38 F CB 1.782 40.705 39.000 -0.129 0.000 1.332 38 F HN 0.413 nan 8.300 nan 0.000 0.490 39 A N 0.735 123.586 122.820 0.052 0.000 2.422 39 A HA 0.666 4.986 4.320 0.001 0.000 0.302 39 A C 0.043 177.644 177.584 0.028 0.000 1.041 39 A CA -0.539 51.478 52.037 -0.034 0.000 0.708 39 A CB 0.808 19.730 19.000 -0.129 0.000 1.257 39 A HN 0.796 nan 8.150 nan 0.000 0.414 40 I N 1.148 121.749 120.570 0.051 0.000 2.406 40 I HA -0.042 4.129 4.170 0.001 0.000 0.249 40 I C 0.114 176.248 176.117 0.029 0.000 1.122 40 I CA 1.108 62.432 61.300 0.040 0.000 1.431 40 I CB 0.129 38.158 38.000 0.048 0.000 1.087 40 I HN 0.340 nan 8.210 nan 0.000 0.424 41 V N 2.170 122.130 119.914 0.077 0.000 2.347 41 V HA 0.214 4.335 4.120 0.001 0.000 0.280 41 V C -0.179 175.996 176.094 0.134 0.000 1.021 41 V CA -0.619 61.708 62.300 0.045 0.000 0.847 41 V CB 1.197 32.986 31.823 -0.056 0.000 0.990 41 V HN 0.165 nan 8.190 nan 0.000 0.444 42 E N 2.939 123.172 120.200 0.055 0.000 2.266 42 E HA 0.537 4.888 4.350 0.001 0.000 0.277 42 E C -1.096 175.559 176.600 0.091 0.000 1.018 42 E CA -0.505 55.927 56.400 0.054 0.000 0.840 42 E CB 2.181 31.891 29.700 0.017 0.000 1.082 42 E HN 0.479 nan 8.360 nan 0.000 0.395 43 V N 3.189 123.171 119.914 0.112 0.000 2.370 43 V HA 0.087 4.207 4.120 0.001 0.000 0.283 43 V C -0.150 175.997 176.094 0.088 0.000 1.023 43 V CA -0.824 61.559 62.300 0.139 0.000 0.857 43 V CB 1.520 33.473 31.823 0.216 0.000 0.985 43 V HN 0.647 nan 8.190 nan 0.000 0.443 44 D N 4.102 124.550 120.400 0.080 0.000 2.325 44 D HA 0.108 4.748 4.640 0.001 0.000 0.251 44 D C 0.861 177.213 176.300 0.087 0.000 1.196 44 D CA -0.156 53.885 54.000 0.068 0.000 0.866 44 D CB 1.635 42.467 40.800 0.053 0.000 1.101 44 D HN 0.429 nan 8.370 nan 0.000 0.476 45 Q N 2.284 122.137 119.800 0.088 0.000 2.436 45 Q HA 0.054 4.394 4.340 0.001 0.000 0.209 45 Q C 0.187 176.244 176.000 0.096 0.000 0.965 45 Q CA 0.449 56.315 55.803 0.105 0.000 0.910 45 Q CB 0.340 29.146 28.738 0.113 0.000 0.980 45 Q HN 0.518 nan 8.270 nan 0.000 0.491 46 A N 0.157 123.023 122.820 0.076 0.000 3.165 46 A HA 0.698 5.019 4.320 0.001 0.000 0.331 46 A C -0.570 177.051 177.584 0.062 0.000 1.034 46 A CA -0.007 52.069 52.037 0.064 0.000 0.906 46 A CB 0.149 19.176 19.000 0.046 0.000 1.054 46 A HN 0.045 nan 8.150 nan 0.000 0.484 47 A N -0.085 122.781 122.820 0.077 0.000 2.566 47 A HA 0.685 5.005 4.320 0.001 0.000 0.297 47 A C 0.470 178.111 177.584 0.094 0.000 1.059 47 A CA 0.272 52.354 52.037 0.074 0.000 0.691 47 A CB 0.602 19.643 19.000 0.069 0.000 1.282 47 A HN 0.957 nan 8.150 nan 0.000 0.401 48 T N -1.239 113.368 114.554 0.089 0.000 2.971 48 T HA 0.509 4.860 4.350 0.001 0.000 0.252 48 T C 0.856 175.632 174.700 0.126 0.000 1.022 48 T CA 0.861 63.026 62.100 0.107 0.000 0.980 48 T CB 0.031 68.948 68.868 0.083 0.000 1.044 48 T HN 1.720 nan 8.240 nan 0.000 0.501 49 A N 1.165 124.052 122.820 0.112 0.000 2.362 49 A HA 0.513 4.833 4.320 0.001 0.000 0.276 49 A C 0.780 178.472 177.584 0.180 0.000 1.153 49 A CA -0.623 51.493 52.037 0.131 0.000 0.813 49 A CB -0.098 18.957 19.000 0.091 0.000 1.081 49 A HN 0.388 nan 8.150 nan 0.000 0.507 50 Y N 3.371 123.733 120.300 0.104 0.000 2.193 50 Y HA -0.288 4.262 4.550 0.001 0.000 0.285 50 Y C 1.816 177.792 175.900 0.127 0.000 1.166 50 Y CA 2.712 60.897 58.100 0.143 0.000 1.181 50 Y CB -0.085 38.476 38.460 0.169 0.000 0.976 50 Y HN 0.784 nan 8.280 nan 0.000 0.520 51 N N 0.429 119.204 118.700 0.126 0.000 2.205 51 N HA -0.186 4.554 4.740 0.001 0.000 0.186 51 N C 1.131 176.627 175.510 -0.024 0.000 1.015 51 N CA 1.546 54.606 53.050 0.017 0.000 0.862 51 N CB -0.411 38.114 38.487 0.062 0.000 0.986 51 N HN 0.499 nan 8.380 nan 0.000 0.429 52 N N 0.099 118.805 118.700 0.011 0.000 2.405 52 N HA 0.013 4.754 4.740 0.001 0.000 0.175 52 N C 1.665 177.178 175.510 0.006 0.000 1.051 52 N CA -0.019 53.037 53.050 0.010 0.000 0.899 52 N CB -0.075 38.431 38.487 0.033 0.000 1.000 52 N HN 0.157 nan 8.380 nan 0.000 0.451 53 L N 0.797 122.026 121.223 0.010 0.000 2.083 53 L HA 0.012 4.352 4.340 0.001 0.000 0.209 53 L C 0.104 176.981 176.870 0.012 0.000 1.083 53 L CA 1.157 56.022 54.840 0.042 0.000 0.752 53 L CB 0.168 42.287 42.059 0.100 0.000 0.899 53 L HN -0.210 nan 8.230 nan 0.000 0.433 54 V N 0.647 120.501 119.914 -0.101 0.000 2.483 54 V HA 0.340 4.461 4.120 0.001 0.000 0.297 54 V C -0.330 175.686 176.094 -0.130 0.000 1.027 54 V CA -0.835 61.396 62.300 -0.116 0.000 0.855 54 V CB 1.420 33.076 31.823 -0.279 0.000 0.995 54 V HN 0.110 nan 8.190 nan 0.000 0.424 55 K N 4.173 124.526 120.400 -0.078 0.000 2.394 55 K HA 0.624 4.945 4.320 0.001 0.000 0.260 55 K C -1.282 175.266 176.600 -0.087 0.000 0.967 55 K CA -0.493 55.749 56.287 -0.075 0.000 0.855 55 K CB 1.900 34.379 32.500 -0.036 0.000 1.101 55 K HN 0.500 nan 8.250 nan 0.000 0.433 56 V N 5.293 125.138 119.914 -0.115 0.000 2.432 56 V HA 0.227 4.348 4.120 0.001 0.000 0.271 56 V C 0.060 176.113 176.094 -0.069 0.000 1.046 56 V CA -0.283 61.946 62.300 -0.119 0.000 0.945 56 V CB 0.815 32.546 31.823 -0.154 0.000 0.992 56 V HN 0.719 nan 8.190 nan 0.000 0.471 57 K N 3.177 123.548 120.400 -0.049 0.000 2.238 57 K HA 0.429 4.749 4.320 0.001 0.000 0.239 57 K C 0.845 177.429 176.600 -0.026 0.000 0.987 57 K CA -0.717 55.551 56.287 -0.031 0.000 0.857 57 K CB 1.710 34.197 32.500 -0.021 0.000 1.154 57 K HN 0.509 nan 8.250 nan 0.000 0.439 58 N N 0.140 118.828 118.700 -0.019 0.000 2.205 58 N HA -0.147 4.593 4.740 0.001 0.000 0.186 58 N C -0.068 175.439 175.510 -0.004 0.000 1.015 58 N CA 0.777 53.821 53.050 -0.011 0.000 0.862 58 N CB 0.166 38.649 38.487 -0.007 0.000 0.986 58 N HN 0.479 nan 8.380 nan 0.000 0.429 59 A N -0.356 122.459 122.820 -0.008 0.000 2.606 59 A HA 0.709 5.029 4.320 0.001 0.000 0.293 59 A C -1.426 176.145 177.584 -0.022 0.000 1.082 59 A CA -0.708 51.324 52.037 -0.007 0.000 0.685 59 A CB 1.030 20.024 19.000 -0.009 0.000 1.284 59 A HN 0.092 nan 8.150 nan 0.000 0.408 60 A N 0.843 123.646 122.820 -0.029 0.000 2.401 60 A HA 0.516 4.836 4.320 0.001 0.000 0.259 60 A C -0.473 177.020 177.584 -0.151 0.000 1.103 60 A CA -0.226 51.781 52.037 -0.050 0.000 0.789 60 A CB -0.075 18.918 19.000 -0.011 0.000 1.035 60 A HN 0.625 nan 8.150 nan 0.000 0.491 61 D N 2.378 122.691 120.400 -0.145 0.000 2.352 61 D HA 0.321 4.962 4.640 0.001 0.000 0.245 61 D C -0.275 175.731 176.300 -0.491 0.000 1.224 61 D CA 0.354 54.210 54.000 -0.241 0.000 0.879 61 D CB 1.161 41.889 40.800 -0.119 0.000 1.057 61 D HN 0.166 nan 8.370 nan 0.000 0.491 62 V N 1.745 121.107 119.914 -0.920 0.000 2.713 62 V HA 0.397 4.517 4.120 0.001 0.000 0.307 62 V C 0.421 175.802 176.094 -1.188 0.000 1.052 62 V CA -0.477 60.859 62.300 -1.606 0.000 0.967 62 V CB 2.077 32.797 31.823 -1.839 0.000 1.019 62 V HN 0.409 nan 8.190 nan 0.000 0.459 63 S N 1.776 116.973 115.700 -0.839 0.000 2.557 63 S HA 0.780 5.250 4.470 0.001 0.000 0.291 63 S C -0.849 173.701 174.600 -0.083 0.000 1.116 63 S CA -0.484 57.531 58.200 -0.308 0.000 0.992 63 S CB 1.855 65.021 63.200 -0.057 0.000 1.028 63 S HN 0.469 nan 8.310 nan 0.000 0.484 64 V N 2.151 122.072 119.914 0.013 0.000 2.876 64 V HA 0.740 4.861 4.120 0.001 0.000 0.312 64 V C -0.270 175.903 176.094 0.133 0.000 1.085 64 V CA -0.628 61.749 62.300 0.128 0.000 0.945 64 V CB 2.308 34.251 31.823 0.199 0.000 1.017 64 V HN 0.820 nan 8.190 nan 0.000 0.428 65 S N 1.663 117.443 115.700 0.134 0.000 2.632 65 S HA 0.880 5.350 4.470 0.001 0.000 0.289 65 S C -1.436 173.257 174.600 0.155 0.000 1.115 65 S CA -0.642 57.547 58.200 -0.019 0.000 0.889 65 S CB 2.082 65.194 63.200 -0.146 0.000 1.116 65 S HN 0.885 nan 8.310 nan 0.000 0.486 66 W N 0.400 121.643 121.300 -0.095 0.000 3.042 66 W HA 0.730 5.390 4.660 0.001 0.000 0.342 66 W C -1.527 174.894 176.519 -0.164 0.000 1.240 66 W CA -0.627 56.652 57.345 -0.111 0.000 1.166 66 W CB 0.601 30.000 29.460 -0.101 0.000 1.469 66 W HN 0.366 nan 8.180 nan 0.000 0.579 67 N N 1.072 119.731 118.700 -0.069 0.000 2.262 67 N HA 0.609 5.349 4.740 0.001 0.000 0.295 67 N C -2.157 173.148 175.510 -0.341 0.000 1.161 67 N CA -0.697 52.112 53.050 -0.402 0.000 0.767 67 N CB 2.534 40.553 38.487 -0.779 0.000 1.499 67 N HN 0.624 nan 8.380 nan 0.000 0.476 68 L N 0.884 121.859 121.223 -0.414 0.000 2.349 68 L HA 0.498 4.838 4.340 0.001 0.000 0.278 68 L C -0.560 176.113 176.870 -0.329 0.000 0.996 68 L CA -0.315 54.381 54.840 -0.239 0.000 0.825 68 L CB 1.214 43.252 42.059 -0.036 0.000 1.243 68 L HN 0.661 nan 8.230 nan 0.000 0.412 69 W N 2.444 123.779 121.300 0.058 0.000 2.907 69 W HA 0.294 4.955 4.660 0.001 0.000 0.271 69 W C 0.003 176.543 176.519 0.036 0.000 1.253 69 W CA -0.352 57.019 57.345 0.043 0.000 1.501 69 W CB 0.457 29.940 29.460 0.039 0.000 1.047 69 W HN 0.462 nan 8.180 nan 0.000 0.610 70 N N -0.492 118.334 118.700 0.211 0.000 2.500 70 N HA 0.554 5.294 4.740 0.001 0.000 0.291 70 N C -0.104 175.456 175.510 0.083 0.000 1.092 70 N CA 0.317 53.448 53.050 0.135 0.000 0.890 70 N CB 1.979 40.540 38.487 0.123 0.000 1.466 70 N HN 0.068 nan 8.380 nan 0.000 0.507 71 G N 1.132 109.970 108.800 0.064 0.000 2.396 71 G HA2 -0.131 3.829 3.960 0.001 0.000 0.254 71 G HA3 -0.131 3.829 3.960 0.001 0.000 0.254 71 G C -1.746 173.174 174.900 0.033 0.000 1.248 71 G CA -0.863 44.262 45.100 0.042 0.000 1.033 71 G HN 0.570 nan 8.290 nan 0.000 0.502 72 D N 0.318 120.733 120.400 0.024 0.000 2.256 72 D HA 0.470 5.111 4.640 0.001 0.000 0.250 72 D C 1.906 178.218 176.300 0.021 0.000 1.093 72 D CA 0.565 54.577 54.000 0.020 0.000 0.882 72 D CB 1.317 42.125 40.800 0.014 0.000 1.185 72 D HN 0.803 nan 8.370 nan 0.000 0.437 73 T N 0.619 115.189 114.554 0.026 0.000 3.194 73 T HA 0.349 4.700 4.350 0.001 0.000 0.251 73 T C 1.141 175.864 174.700 0.037 0.000 1.132 73 T CA 0.321 62.446 62.100 0.041 0.000 1.028 73 T CB -0.498 68.406 68.868 0.061 0.000 0.976 73 T HN 0.718 nan 8.240 nan 0.000 0.535 74 G N 1.306 110.117 108.800 0.019 0.000 2.752 74 G HA2 -0.226 3.735 3.960 0.001 0.000 0.234 74 G HA3 -0.226 3.735 3.960 0.001 0.000 0.234 74 G C 0.594 175.502 174.900 0.013 0.000 1.367 74 G CA 0.461 45.566 45.100 0.007 0.000 0.879 74 G HN 1.021 nan 8.290 nan 0.000 0.563 75 T N -4.354 110.199 114.554 -0.001 0.000 2.955 75 T HA 0.500 4.851 4.350 0.001 0.000 0.251 75 T C 0.848 175.543 174.700 -0.008 0.000 1.002 75 T CA 1.486 63.586 62.100 -0.000 0.000 0.970 75 T CB 0.628 69.490 68.868 -0.010 0.000 1.091 75 T HN 1.050 nan 8.240 nan 0.000 0.495 76 T N 2.069 116.608 114.554 -0.026 0.000 2.861 76 T HA 0.779 5.129 4.350 0.001 0.000 0.287 76 T C -0.926 173.743 174.700 -0.052 0.000 1.003 76 T CA -0.600 61.468 62.100 -0.052 0.000 0.977 76 T CB 1.755 70.568 68.868 -0.091 0.000 0.996 76 T HN 0.485 nan 8.240 nan 0.000 0.448 77 A N 3.182 125.985 122.820 -0.028 0.000 2.337 77 A HA 0.840 5.160 4.320 0.001 0.000 0.329 77 A C -0.503 177.061 177.584 -0.035 0.000 1.146 77 A CA -0.755 51.251 52.037 -0.052 0.000 0.800 77 A CB 0.849 19.922 19.000 0.121 0.000 1.220 77 A HN 0.765 nan 8.150 nan 0.000 0.472 78 K N 1.523 121.857 120.400 -0.109 0.000 2.426 78 K HA 0.561 4.881 4.320 0.001 0.000 0.251 78 K C -1.353 175.188 176.600 -0.099 0.000 0.941 78 K CA -0.737 55.522 56.287 -0.046 0.000 0.808 78 K CB 2.086 34.511 32.500 -0.126 0.000 1.265 78 K HN 0.478 nan 8.250 nan 0.000 0.432 79 I N 3.626 124.161 120.570 -0.058 0.000 2.336 79 I HA 0.322 4.492 4.170 0.001 0.000 0.292 79 I C -0.231 175.742 176.117 -0.240 0.000 0.991 79 I CA -0.619 60.537 61.300 -0.241 0.000 1.227 79 I CB 0.696 38.393 38.000 -0.505 0.000 1.366 79 I HN 0.447 nan 8.210 nan 0.000 0.466 80 L N 6.668 127.784 121.223 -0.178 0.000 2.322 80 L HA 0.561 4.901 4.340 0.001 0.000 0.279 80 L C -0.483 176.325 176.870 -0.103 0.000 1.036 80 L CA -0.698 54.062 54.840 -0.134 0.000 0.807 80 L CB 1.611 43.614 42.059 -0.092 0.000 1.226 80 L HN 0.326 nan 8.230 nan 0.000 0.433 81 L N 3.882 125.051 121.223 -0.090 0.000 2.319 81 L HA 0.402 4.742 4.340 0.001 0.000 0.281 81 L C -0.141 176.771 176.870 0.069 0.000 1.005 81 L CA -0.712 54.115 54.840 -0.022 0.000 0.828 81 L CB 1.226 43.168 42.059 -0.195 0.000 1.227 81 L HN 0.638 nan 8.230 nan 0.000 0.415 82 N N 3.237 122.006 118.700 0.116 0.000 2.716 82 N HA -0.234 4.507 4.740 0.001 0.000 0.250 82 N C 1.026 176.557 175.510 0.036 0.000 1.033 82 N CA 1.284 54.387 53.050 0.089 0.000 0.727 82 N CB -0.840 37.726 38.487 0.132 0.000 0.950 82 N HN 1.137 nan 8.380 nan 0.000 0.541 83 G N -1.264 107.539 108.800 0.005 0.000 2.225 83 G HA2 -0.367 3.593 3.960 0.001 0.000 0.254 83 G HA3 -0.367 3.593 3.960 0.001 0.000 0.254 83 G C 0.010 174.891 174.900 -0.031 0.000 0.988 83 G CA 0.747 45.837 45.100 -0.016 0.000 0.625 83 G HN 0.685 nan 8.290 nan 0.000 0.527 84 K N 1.235 121.618 120.400 -0.028 0.000 2.185 84 K HA 0.496 4.817 4.320 0.001 0.000 0.269 84 K C 0.228 176.778 176.600 -0.083 0.000 0.987 84 K CA -0.631 55.629 56.287 -0.045 0.000 0.865 84 K CB 0.879 33.366 32.500 -0.022 0.000 1.090 84 K HN 0.259 nan 8.250 nan 0.000 0.450 85 E N 3.006 123.149 120.200 -0.095 0.000 2.376 85 E HA 0.035 4.386 4.350 0.001 0.000 0.266 85 E C -0.327 176.181 176.600 -0.154 0.000 1.009 85 E CA 0.094 56.416 56.400 -0.130 0.000 0.902 85 E CB 0.972 30.600 29.700 -0.119 0.000 0.972 85 E HN 0.738 nan 8.360 nan 0.000 0.439 86 A N 4.913 127.589 122.820 -0.241 0.000 2.419 86 A HA 0.169 4.490 4.320 0.001 0.000 0.233 86 A C -0.513 176.938 177.584 -0.222 0.000 1.217 86 A CA -0.299 51.581 52.037 -0.262 0.000 0.944 86 A CB 0.145 18.894 19.000 -0.419 0.000 1.025 86 A HN 0.747 nan 8.150 nan 0.000 0.524 87 W N -1.399 119.624 121.300 -0.462 0.000 3.275 87 W HA 0.589 5.249 4.660 0.001 0.000 0.306 87 W C -1.286 175.091 176.519 -0.237 0.000 1.259 87 W CA -0.056 57.087 57.345 -0.335 0.000 1.194 87 W CB 0.952 30.138 29.460 -0.457 0.000 1.375 87 W HN 0.009 nan 8.180 nan 0.000 0.564 88 S N 2.091 117.134 115.700 -1.095 0.000 2.537 88 S HA 0.856 5.326 4.470 0.001 0.000 0.270 88 S C -0.780 172.921 174.600 -1.498 0.000 1.142 88 S CA 0.027 57.627 58.200 -0.999 0.000 0.870 88 S CB 1.308 64.189 63.200 -0.532 0.000 1.112 88 S HN 1.343 nan 8.310 nan 0.000 0.466 89 G N 2.555 110.726 108.800 -1.048 0.000 2.547 89 G HA2 0.557 4.517 3.960 0.001 0.000 0.291 89 G HA3 0.557 4.517 3.960 0.001 0.000 0.291 89 G C -3.507 171.267 174.900 -0.210 0.000 1.471 89 G CA -0.805 43.907 45.100 -0.647 0.000 0.798 89 G HN 0.491 nan 8.290 nan 0.000 0.504 90 P HA 0.227 nan 4.420 nan 0.000 0.267 90 P C 0.032 177.398 177.300 0.109 0.000 1.205 90 P CA 0.222 63.327 63.100 0.008 0.000 0.765 90 P CB 1.426 33.133 31.700 0.012 0.000 0.828 91 S N 2.291 118.056 115.700 0.108 0.000 2.400 91 S HA 0.249 4.720 4.470 0.001 0.000 0.295 91 S C 1.093 175.768 174.600 0.125 0.000 1.113 91 S CA -0.206 58.102 58.200 0.181 0.000 1.064 91 S CB -0.603 62.682 63.200 0.141 0.000 0.990 91 S HN 0.548 nan 8.310 nan 0.000 0.502 92 T N 1.461 116.088 114.554 0.123 0.000 3.044 92 T HA 0.556 4.907 4.350 0.001 0.000 0.260 92 T C 0.713 175.435 174.700 0.037 0.000 1.019 92 T CA 0.127 62.266 62.100 0.065 0.000 0.921 92 T CB 0.304 69.205 68.868 0.055 0.000 1.053 92 T HN 0.782 nan 8.240 nan 0.000 0.533 93 G N -0.045 108.778 108.800 0.040 0.000 2.488 93 G HA2 0.432 4.393 3.960 0.001 0.000 0.301 93 G HA3 0.432 4.393 3.960 0.001 0.000 0.301 93 G C 0.117 175.008 174.900 -0.015 0.000 1.339 93 G CA -0.167 44.930 45.100 -0.005 0.000 0.803 93 G HN -0.123 nan 8.290 nan 0.000 0.482 94 S N -0.625 115.032 115.700 -0.070 0.000 2.481 94 S HA 0.206 4.677 4.470 0.001 0.000 0.231 94 S C 0.950 175.414 174.600 -0.226 0.000 0.996 94 S CA 1.025 59.150 58.200 -0.125 0.000 0.942 94 S CB -0.126 62.985 63.200 -0.148 0.000 0.768 94 S HN 0.566 nan 8.310 nan 0.000 0.520 95 S N -0.419 115.120 115.700 -0.267 0.000 2.542 95 S HA 0.762 5.233 4.470 0.001 0.000 0.293 95 S C -0.035 174.186 174.600 -0.631 0.000 1.089 95 S CA -0.796 57.121 58.200 -0.471 0.000 0.961 95 S CB 2.110 65.079 63.200 -0.385 0.000 1.062 95 S HN 0.386 nan 8.310 nan 0.000 0.483 96 G N 0.357 108.341 108.800 -1.361 0.000 2.694 96 G HA2 0.705 4.666 3.960 0.001 0.000 0.290 96 G HA3 0.705 4.666 3.960 0.001 0.000 0.290 96 G C -1.567 172.345 174.900 -1.647 0.000 1.386 96 G CA -0.573 43.660 45.100 -1.444 0.000 0.872 96 G HN 0.590 nan 8.290 nan 0.000 0.475 97 T N -0.138 113.884 114.554 -0.886 0.000 2.916 97 T HA 0.696 5.046 4.350 0.001 0.000 0.298 97 T C -0.433 174.069 174.700 -0.329 0.000 1.031 97 T CA -0.141 61.655 62.100 -0.507 0.000 0.993 97 T CB 1.699 70.391 68.868 -0.293 0.000 1.045 97 T HN 1.135 nan 8.240 nan 0.000 0.454 98 A N 3.511 126.115 122.820 -0.360 0.000 2.331 98 A HA 0.793 5.113 4.320 0.001 0.000 0.320 98 A C -0.553 176.790 177.584 -0.402 0.000 1.138 98 A CA -0.865 50.614 52.037 -0.930 0.000 0.790 98 A CB 0.684 18.723 19.000 -1.602 0.000 1.206 98 A HN 0.708 nan 8.150 nan 0.000 0.470 99 N N 1.756 120.297 118.700 -0.266 0.000 2.372 99 N HA 0.751 5.492 4.740 0.001 0.000 0.285 99 N C -1.106 174.438 175.510 0.058 0.000 1.008 99 N CA 0.057 53.021 53.050 -0.143 0.000 0.880 99 N CB 1.668 40.106 38.487 -0.080 0.000 1.239 99 N HN 0.641 nan 8.380 nan 0.000 0.484 100 F N -1.317 118.552 119.950 -0.136 0.000 2.711 100 F HA 0.592 5.120 4.527 0.001 0.000 0.313 100 F C -0.742 175.001 175.800 -0.094 0.000 1.141 100 F CA -1.217 56.767 58.000 -0.026 0.000 0.941 100 F CB 1.511 40.542 39.000 0.052 0.000 1.349 100 F HN -0.094 nan 8.300 nan 0.000 0.464 101 K N 1.466 121.919 120.400 0.088 0.000 2.182 101 K HA 0.741 5.061 4.320 0.001 0.000 0.262 101 K C -1.576 175.046 176.600 0.036 0.000 0.957 101 K CA -1.040 55.234 56.287 -0.023 0.000 0.842 101 K CB 2.483 34.991 32.500 0.014 0.000 1.099 101 K HN 0.533 nan 8.250 nan 0.000 0.438 102 V N 3.236 123.118 119.914 -0.054 0.000 2.483 102 V HA 0.109 4.230 4.120 0.001 0.000 0.297 102 V C -0.093 176.001 176.094 0.001 0.000 1.027 102 V CA -0.938 61.346 62.300 -0.026 0.000 0.855 102 V CB 1.449 33.216 31.823 -0.094 0.000 0.995 102 V HN 0.857 nan 8.190 nan 0.000 0.424 103 N N 2.436 121.154 118.700 0.030 0.000 2.238 103 N HA 0.179 4.920 4.740 0.001 0.000 0.222 103 N C -0.218 175.336 175.510 0.074 0.000 1.133 103 N CA -0.291 52.784 53.050 0.043 0.000 0.854 103 N CB 0.529 39.035 38.487 0.032 0.000 1.041 103 N HN 0.638 nan 8.380 nan 0.000 0.510 104 K N -0.225 120.249 120.400 0.123 0.000 2.501 104 K HA 0.545 4.865 4.320 0.001 0.000 0.252 104 K C -0.628 176.111 176.600 0.232 0.000 0.934 104 K CA -0.815 55.567 56.287 0.158 0.000 0.797 104 K CB 2.006 34.611 32.500 0.175 0.000 1.270 104 K HN 0.148 nan 8.250 nan 0.000 0.431 105 G N 0.931 109.838 108.800 0.178 0.000 2.476 105 G HA2 0.634 4.594 3.960 0.001 0.000 0.269 105 G HA3 0.634 4.594 3.960 0.001 0.000 0.269 105 G C -0.122 174.848 174.900 0.116 0.000 1.195 105 G CA 0.254 45.468 45.100 0.190 0.000 0.843 105 G HN 0.831 nan 8.290 nan 0.000 0.545 106 G N 0.142 108.991 108.800 0.082 0.000 2.352 106 G HA2 0.343 4.303 3.960 0.001 0.000 0.283 106 G HA3 0.343 4.303 3.960 0.001 0.000 0.283 106 G C -1.228 173.574 174.900 -0.163 0.000 1.308 106 G CA -1.079 43.941 45.100 -0.132 0.000 0.892 106 G HN 0.677 nan 8.290 nan 0.000 0.504 107 R N -0.133 120.191 120.500 -0.293 0.000 2.343 107 R HA 0.531 4.871 4.340 0.001 0.000 0.320 107 R C -1.454 174.653 176.300 -0.322 0.000 0.956 107 R CA -0.443 55.561 56.100 -0.160 0.000 0.836 107 R CB 1.535 31.784 30.300 -0.084 0.000 1.151 107 R HN 0.502 nan 8.270 nan 0.000 0.450 108 Y N 0.978 121.315 120.300 0.062 0.000 2.393 108 Y HA 0.174 4.724 4.550 0.001 0.000 0.341 108 Y C 0.392 176.320 175.900 0.045 0.000 0.988 108 Y CA -1.017 57.115 58.100 0.053 0.000 1.078 108 Y CB 1.831 40.331 38.460 0.068 0.000 1.203 108 Y HN 0.190 nan 8.280 nan 0.000 0.453 109 Q N 4.348 124.255 119.800 0.179 0.000 2.344 109 Q HA 0.176 4.517 4.340 0.001 0.000 0.253 109 Q C -0.410 175.656 176.000 0.110 0.000 1.050 109 Q CA -0.043 55.826 55.803 0.110 0.000 0.912 109 Q CB 1.108 29.886 28.738 0.065 0.000 1.258 109 Q HN 0.765 nan 8.270 nan 0.000 0.443 110 M N 2.752 122.411 119.600 0.098 0.000 2.318 110 M HA 0.322 4.802 4.480 0.001 0.000 0.347 110 M C -0.966 175.341 176.300 0.013 0.000 1.175 110 M CA -0.104 55.232 55.300 0.060 0.000 1.075 110 M CB 1.178 33.831 32.600 0.088 0.000 1.614 110 M HN 0.395 nan 8.290 nan 0.000 0.456 111 Q N 2.536 122.318 119.800 -0.030 0.000 2.423 111 Q HA 0.625 4.966 4.340 0.001 0.000 0.278 111 Q C -1.542 174.385 176.000 -0.121 0.000 1.097 111 Q CA -1.078 54.688 55.803 -0.062 0.000 0.809 111 Q CB 3.137 31.838 28.738 -0.061 0.000 1.391 111 Q HN 0.678 nan 8.270 nan 0.000 0.428 112 V N 1.295 121.113 119.914 -0.160 0.000 2.439 112 V HA 0.732 4.853 4.120 0.001 0.000 0.282 112 V C -0.490 175.438 176.094 -0.277 0.000 1.039 112 V CA -0.403 61.711 62.300 -0.309 0.000 0.913 112 V CB 1.213 32.770 31.823 -0.443 0.000 0.983 112 V HN 0.824 nan 8.190 nan 0.000 0.460 113 A N 5.888 128.535 122.820 -0.287 0.000 2.365 113 A HA 0.903 5.224 4.320 0.001 0.000 0.318 113 A C -1.022 176.420 177.584 -0.236 0.000 1.091 113 A CA -0.617 51.292 52.037 -0.214 0.000 0.763 113 A CB 1.134 20.044 19.000 -0.150 0.000 1.248 113 A HN 0.770 nan 8.150 nan 0.000 0.442 114 L N 1.225 122.344 121.223 -0.173 0.000 2.322 114 L HA 0.527 4.868 4.340 0.001 0.000 0.281 114 L C -0.932 175.889 176.870 -0.082 0.000 1.014 114 L CA -0.523 54.240 54.840 -0.129 0.000 0.815 114 L CB 1.738 43.739 42.059 -0.096 0.000 1.247 114 L HN 0.707 nan 8.230 nan 0.000 0.421 115 c N 2.427 120.985 118.600 -0.069 0.000 2.498 115 c HA 0.677 5.248 4.570 0.001 0.000 0.316 115 c C -0.036 174.029 174.090 -0.042 0.000 1.209 115 c CA -0.759 55.535 56.329 -0.058 0.000 1.518 115 c CB 1.253 43.721 42.510 -0.070 0.000 2.147 115 c HN 0.948 nan 8.230 nan 0.000 0.483 116 N N 0.992 119.671 118.700 -0.034 0.000 3.343 116 N HA 0.583 5.323 4.740 0.001 0.000 0.330 116 N C 0.328 175.821 175.510 -0.027 0.000 1.560 116 N CA -0.214 52.820 53.050 -0.027 0.000 0.752 116 N CB 0.361 38.838 38.487 -0.017 0.000 1.863 116 N HN 0.457 nan 8.380 nan 0.000 0.636 117 A N -1.065 121.742 122.820 -0.022 0.000 2.067 117 A HA -0.034 4.286 4.320 0.001 0.000 0.219 117 A C 0.776 178.349 177.584 -0.020 0.000 1.158 117 A CA 1.209 53.233 52.037 -0.022 0.000 0.661 117 A CB -0.664 18.325 19.000 -0.018 0.000 0.801 117 A HN 0.660 nan 8.150 nan 0.000 0.452 118 D N -0.644 119.745 120.400 -0.017 0.000 2.339 118 D HA 0.349 4.990 4.640 0.001 0.000 0.217 118 D C 0.858 177.147 176.300 -0.018 0.000 1.050 118 D CA 1.218 55.208 54.000 -0.015 0.000 0.856 118 D CB 0.443 41.236 40.800 -0.011 0.000 0.922 118 D HN 0.530 nan 8.370 nan 0.000 0.518 119 G N -0.423 108.363 108.800 -0.023 0.000 2.347 119 G HA2 -0.072 3.888 3.960 0.001 0.000 0.477 119 G HA3 -0.072 3.888 3.960 0.001 0.000 0.477 119 G C -1.104 173.775 174.900 -0.034 0.000 1.349 119 G CA -0.945 44.139 45.100 -0.027 0.000 1.000 119 G HN 0.176 nan 8.290 nan 0.000 0.605 120 c N 0.432 119.009 118.600 -0.039 0.000 2.355 120 c HA 0.865 5.435 4.570 0.001 0.000 0.332 120 c C 0.526 174.589 174.090 -0.046 0.000 1.255 120 c CA -0.261 56.038 56.329 -0.050 0.000 1.792 120 c CB 0.834 43.308 42.510 -0.059 0.000 2.300 120 c HN 0.859 nan 8.230 nan 0.000 0.515 121 T N 2.576 117.098 114.554 -0.053 0.000 2.792 121 T HA 0.670 5.020 4.350 0.001 0.000 0.280 121 T C -0.200 174.460 174.700 -0.067 0.000 0.990 121 T CA -0.154 61.918 62.100 -0.047 0.000 0.960 121 T CB 1.451 70.299 68.868 -0.033 0.000 0.939 121 T HN 0.882 nan 8.240 nan 0.000 0.439 122 A N 2.761 125.546 122.820 -0.059 0.000 2.324 122 A HA 0.791 5.111 4.320 0.001 0.000 0.330 122 A C 0.647 178.196 177.584 -0.058 0.000 1.165 122 A CA -0.827 51.166 52.037 -0.073 0.000 0.813 122 A CB 0.649 19.611 19.000 -0.064 0.000 1.197 122 A HN 0.908 nan 8.150 nan 0.000 0.484 123 S N 1.871 117.528 115.700 -0.071 0.000 2.596 123 S HA 0.207 4.678 4.470 0.001 0.000 0.260 123 S C -0.143 174.437 174.600 -0.033 0.000 1.336 123 S CA -0.489 57.684 58.200 -0.045 0.000 0.993 123 S CB 0.157 63.325 63.200 -0.054 0.000 0.923 123 S HN 0.639 nan 8.310 nan 0.000 0.567 124 D N 1.060 121.447 120.400 -0.021 0.000 2.400 124 D HA 0.405 5.046 4.640 0.001 0.000 0.238 124 D C 0.335 176.622 176.300 -0.021 0.000 1.157 124 D CA 0.370 54.360 54.000 -0.017 0.000 0.889 124 D CB 0.581 41.374 40.800 -0.012 0.000 1.199 124 D HN 0.839 nan 8.370 nan 0.000 0.436 125 A N 1.760 124.574 122.820 -0.011 0.000 2.440 125 A HA 0.372 4.693 4.320 0.001 0.000 0.251 125 A C 0.290 177.874 177.584 0.001 0.000 1.089 125 A CA 0.014 52.050 52.037 -0.001 0.000 0.779 125 A CB 0.279 19.285 19.000 0.011 0.000 1.022 125 A HN 0.398 nan 8.150 nan 0.000 0.492 126 T N 2.079 116.639 114.554 0.010 0.000 2.823 126 T HA 0.344 4.695 4.350 0.001 0.000 0.279 126 T C -0.029 174.708 174.700 0.062 0.000 0.998 126 T CA -0.372 61.741 62.100 0.020 0.000 0.994 126 T CB 1.085 69.955 68.868 0.003 0.000 0.960 126 T HN 0.778 nan 8.240 nan 0.000 0.448 127 E N 3.640 123.880 120.200 0.067 0.000 2.360 127 E HA 0.365 4.716 4.350 0.001 0.000 0.269 127 E C -0.343 176.332 176.600 0.126 0.000 1.022 127 E CA -0.478 55.977 56.400 0.091 0.000 0.887 127 E CB 0.430 30.169 29.700 0.064 0.000 0.990 127 E HN 0.625 nan 8.360 nan 0.000 0.426 128 I N 0.573 121.256 120.570 0.189 0.000 2.797 128 I HA 0.581 4.752 4.170 0.001 0.000 0.307 128 I C -1.099 175.167 176.117 0.249 0.000 1.033 128 I CA -1.241 60.202 61.300 0.239 0.000 1.071 128 I CB 2.066 40.264 38.000 0.329 0.000 1.255 128 I HN 0.183 nan 8.210 nan 0.000 0.445 129 V N 4.657 124.705 119.914 0.223 0.000 2.407 129 V HA 0.373 4.494 4.120 0.001 0.000 0.291 129 V C -0.193 176.033 176.094 0.220 0.000 1.018 129 V CA -0.582 61.818 62.300 0.166 0.000 0.842 129 V CB 1.521 33.370 31.823 0.043 0.000 0.996 129 V HN 0.557 nan 8.190 nan 0.000 0.426 130 V N 4.701 124.768 119.914 0.255 0.000 2.313 130 V HA 0.680 4.800 4.120 0.001 0.000 0.278 130 V C 0.592 176.744 176.094 0.096 0.000 1.017 130 V CA -0.508 61.922 62.300 0.218 0.000 0.823 130 V CB 1.419 33.422 31.823 0.300 0.000 1.010 130 V HN 0.945 nan 8.190 nan 0.000 0.443 131 A N 3.822 126.574 122.820 -0.113 0.000 2.327 131 A HA 0.727 5.048 4.320 0.001 0.000 0.283 131 A C -0.385 177.208 177.584 0.015 0.000 1.127 131 A CA -0.113 51.649 52.037 -0.458 0.000 0.810 131 A CB 0.851 19.262 19.000 -0.982 0.000 1.066 131 A HN 0.761 nan 8.150 nan 0.000 0.492 132 D N -0.665 119.887 120.400 0.253 0.000 2.583 132 D HA 0.396 5.037 4.640 0.001 0.000 0.248 132 D C 0.855 177.323 176.300 0.279 0.000 1.209 132 D CA 0.433 54.590 54.000 0.261 0.000 0.848 132 D CB 1.655 42.556 40.800 0.168 0.000 1.431 132 D HN 0.439 nan 8.370 nan 0.000 0.436 133 T N -1.909 112.685 114.554 0.066 0.000 3.148 133 T HA 0.023 4.373 4.350 0.001 0.000 0.253 133 T C 0.711 175.504 174.700 0.154 0.000 1.134 133 T CA 0.349 62.443 62.100 -0.010 0.000 1.051 133 T CB -0.180 68.668 68.868 -0.034 0.000 0.959 133 T HN 0.370 nan 8.240 nan 0.000 0.525 134 D N 0.975 121.453 120.400 0.130 0.000 2.340 134 D HA 0.180 4.821 4.640 0.001 0.000 0.220 134 D C 1.661 177.997 176.300 0.060 0.000 1.039 134 D CA 0.443 54.507 54.000 0.107 0.000 0.866 134 D CB -0.857 39.986 40.800 0.072 0.000 0.913 134 D HN 0.507 nan 8.370 nan 0.000 0.523 135 G N 0.587 109.442 108.800 0.090 0.000 2.143 135 G HA2 -0.359 3.601 3.960 0.001 0.000 0.248 135 G HA3 -0.359 3.601 3.960 0.001 0.000 0.248 135 G C 1.100 175.922 174.900 -0.129 0.000 0.991 135 G CA 0.881 45.933 45.100 -0.080 0.000 0.689 135 G HN 0.650 nan 8.290 nan 0.000 0.522 136 S N 0.293 116.022 115.700 0.048 0.000 2.500 136 S HA -0.140 4.331 4.470 0.001 0.000 0.239 136 S C 1.777 176.378 174.600 0.002 0.000 0.989 136 S CA 1.602 59.815 58.200 0.022 0.000 0.951 136 S CB -0.559 62.681 63.200 0.066 0.000 0.759 136 S HN 1.099 nan 8.310 nan 0.000 0.523 137 H N -0.173 118.904 119.070 0.011 0.000 2.586 137 H HA 0.483 5.039 4.556 0.001 0.000 0.273 137 H C 0.261 175.574 175.328 -0.025 0.000 0.997 137 H CA -0.541 55.503 56.048 -0.005 0.000 1.177 137 H CB -0.262 29.517 29.762 0.029 0.000 1.471 137 H HN 0.356 nan 8.280 nan 0.000 0.538 138 L N 1.611 122.517 121.223 -0.528 0.000 2.325 138 L HA 0.579 4.919 4.340 0.001 0.000 0.278 138 L C 0.322 177.061 176.870 -0.218 0.000 1.023 138 L CA -1.157 53.439 54.840 -0.407 0.000 0.811 138 L CB 1.764 43.525 42.059 -0.498 0.000 1.249 138 L HN 0.140 nan 8.230 nan 0.000 0.431 139 A N 4.330 127.055 122.820 -0.160 0.000 2.498 139 A HA 0.395 4.716 4.320 0.001 0.000 0.239 139 A C -2.243 175.258 177.584 -0.139 0.000 1.068 139 A CA -0.935 51.027 52.037 -0.126 0.000 0.766 139 A CB -0.591 18.351 19.000 -0.097 0.000 1.003 139 A HN 0.397 nan 8.150 nan 0.000 0.497 140 P HA 0.100 nan 4.420 nan 0.000 0.267 140 P C -0.600 176.618 177.300 -0.137 0.000 1.205 140 P CA -0.075 62.937 63.100 -0.146 0.000 0.765 140 P CB 0.448 32.058 31.700 -0.150 0.000 0.828 141 L N 3.930 125.069 121.223 -0.140 0.000 2.302 141 L HA 0.232 4.572 4.340 0.001 0.000 0.285 141 L C 0.150 176.962 176.870 -0.097 0.000 1.090 141 L CA 0.039 54.810 54.840 -0.116 0.000 0.866 141 L CB 0.007 41.992 42.059 -0.122 0.000 1.244 141 L HN 0.017 nan 8.230 nan 0.000 0.435 142 K N 4.133 124.477 120.400 -0.093 0.000 2.473 142 K HA 0.475 4.796 4.320 0.001 0.000 0.246 142 K C -0.644 175.933 176.600 -0.039 0.000 1.011 142 K CA -0.527 55.714 56.287 -0.076 0.000 0.984 142 K CB 0.533 32.967 32.500 -0.109 0.000 1.250 142 K HN 0.663 nan 8.250 nan 0.000 0.454 143 E N 2.248 122.441 120.200 -0.011 0.000 2.235 143 E HA 0.485 4.836 4.350 0.001 0.000 0.265 143 E C -2.274 174.323 176.600 -0.006 0.000 0.940 143 E CA -2.271 54.115 56.400 -0.023 0.000 0.819 143 E CB 1.325 30.999 29.700 -0.043 0.000 1.206 143 E HN 0.452 nan 8.360 nan 0.000 0.409 144 P HA 0.149 nan 4.420 nan 0.000 0.271 144 P C 0.046 177.346 177.300 0.000 0.000 1.216 144 P CA -0.089 63.007 63.100 -0.006 0.000 0.771 144 P CB 0.494 32.187 31.700 -0.012 0.000 0.864 145 L N 2.383 123.613 121.223 0.012 0.000 2.543 145 L HA 0.040 4.380 4.340 0.001 0.000 0.285 145 L C 0.915 177.798 176.870 0.021 0.000 1.236 145 L CA 0.347 55.201 54.840 0.023 0.000 0.871 145 L CB -0.407 41.670 42.059 0.030 0.000 1.121 145 L HN 0.267 nan 8.230 nan 0.000 0.501 146 L N 1.961 123.205 121.223 0.034 0.000 2.260 146 L HA 0.450 4.790 4.340 0.001 0.000 0.265 146 L C 0.678 177.583 176.870 0.058 0.000 1.015 146 L CA -0.769 54.093 54.840 0.036 0.000 0.826 146 L CB 1.272 43.348 42.059 0.028 0.000 1.373 146 L HN 0.730 nan 8.230 nan 0.000 0.450 147 E N -0.108 120.125 120.200 0.055 0.000 3.521 147 E HA -0.349 4.002 4.350 0.001 0.000 0.371 147 E C 0.340 176.976 176.600 0.060 0.000 1.564 147 E CA 1.874 58.311 56.400 0.062 0.000 1.834 147 E CB -0.458 29.295 29.700 0.088 0.000 1.742 147 E HN 0.556 nan 8.360 nan 0.000 0.445 148 K N 1.235 121.680 120.400 0.075 0.000 2.437 148 K HA 0.144 4.464 4.320 0.001 0.000 0.198 148 K C -0.343 176.304 176.600 0.080 0.000 1.024 148 K CA -0.092 56.238 56.287 0.072 0.000 1.148 148 K CB -0.178 32.372 32.500 0.084 0.000 0.860 148 K HN 0.205 nan 8.250 nan 0.000 0.515 149 N N 2.063 120.813 118.700 0.083 0.000 2.483 149 N HA 0.029 4.769 4.740 0.001 0.000 0.264 149 N C -0.791 174.760 175.510 0.069 0.000 1.197 149 N CA 0.458 53.564 53.050 0.093 0.000 0.927 149 N CB 0.585 39.129 38.487 0.095 0.000 1.065 149 N HN -0.060 nan 8.380 nan 0.000 0.461 150 K N 2.297 122.747 120.400 0.083 0.000 2.259 150 K HA 0.459 4.779 4.320 0.001 0.000 0.252 150 K C -2.525 174.033 176.600 -0.070 0.000 0.936 150 K CA -1.975 54.300 56.287 -0.019 0.000 0.810 150 K CB 1.822 34.293 32.500 -0.049 0.000 1.143 150 K HN 0.349 nan 8.250 nan 0.000 0.427 151 P HA 0.101 nan 4.420 nan 0.000 0.275 151 P C -1.345 175.759 177.300 -0.326 0.000 1.227 151 P CA 0.014 63.039 63.100 -0.124 0.000 0.781 151 P CB 0.476 32.123 31.700 -0.088 0.000 0.906 152 Y N -0.003 120.306 120.300 0.016 0.000 2.581 152 Y HA 0.410 4.961 4.550 0.001 0.000 0.345 152 Y C 0.659 176.570 175.900 0.018 0.000 1.036 152 Y CA -0.835 57.275 58.100 0.017 0.000 1.042 152 Y CB 2.347 40.817 38.460 0.017 0.000 1.289 152 Y HN 0.133 nan 8.280 nan 0.000 0.471 153 K N 1.502 122.013 120.400 0.184 0.000 2.159 153 K HA 0.297 4.618 4.320 0.001 0.000 0.266 153 K C -0.766 175.902 176.600 0.114 0.000 0.975 153 K CA -0.986 55.369 56.287 0.114 0.000 0.865 153 K CB 0.962 33.510 32.500 0.080 0.000 1.087 153 K HN 0.443 nan 8.250 nan 0.000 0.446 154 Q N 3.110 122.960 119.800 0.083 0.000 3.026 154 Q HA 0.012 4.353 4.340 0.001 0.000 0.258 154 Q C -0.007 176.030 176.000 0.061 0.000 1.388 154 Q CA 0.092 55.937 55.803 0.069 0.000 1.000 154 Q CB -0.222 28.550 28.738 0.056 0.000 1.634 154 Q HN 0.555 nan 8.270 nan 0.000 0.571 155 N N -1.624 117.114 118.700 0.063 0.000 2.171 155 N HA -0.075 4.665 4.740 0.001 0.000 0.212 155 N C 0.882 176.420 175.510 0.047 0.000 1.184 155 N CA 0.241 53.323 53.050 0.052 0.000 0.888 155 N CB 0.117 38.635 38.487 0.051 0.000 1.038 155 N HN 0.106 nan 8.380 nan 0.000 0.517 156 S N -0.529 115.199 115.700 0.047 0.000 2.453 156 S HA 0.162 4.633 4.470 0.001 0.000 0.231 156 S C 1.673 176.297 174.600 0.040 0.000 1.005 156 S CA 0.641 58.864 58.200 0.039 0.000 0.949 156 S CB -0.955 62.264 63.200 0.032 0.000 0.774 156 S HN 0.592 nan 8.310 nan 0.000 0.510 157 G N 0.994 109.823 108.800 0.048 0.000 2.153 157 G HA2 -0.227 3.734 3.960 0.001 0.000 0.252 157 G HA3 -0.227 3.734 3.960 0.001 0.000 0.252 157 G C -0.084 174.854 174.900 0.062 0.000 0.994 157 G CA 0.445 45.578 45.100 0.056 0.000 0.698 157 G HN 0.505 nan 8.290 nan 0.000 0.521 158 K N 0.109 120.542 120.400 0.056 0.000 2.156 158 K HA 0.616 4.936 4.320 0.001 0.000 0.254 158 K C 0.586 177.222 176.600 0.060 0.000 0.950 158 K CA -0.870 55.448 56.287 0.051 0.000 0.849 158 K CB 2.123 34.646 32.500 0.039 0.000 1.100 158 K HN 0.067 nan 8.250 nan 0.000 0.434 159 V N 2.303 122.237 119.914 0.034 0.000 2.655 159 V HA 0.065 4.186 4.120 0.001 0.000 0.300 159 V C 0.102 176.249 176.094 0.088 0.000 1.044 159 V CA -0.283 62.034 62.300 0.028 0.000 1.095 159 V CB 0.940 32.657 31.823 -0.177 0.000 0.952 159 V HN 0.353 nan 8.190 nan 0.000 0.485 160 V N 4.716 124.708 119.914 0.130 0.000 2.380 160 V HA 0.748 4.869 4.120 0.001 0.000 0.286 160 V C 0.470 176.655 176.094 0.151 0.000 1.015 160 V CA -0.132 62.236 62.300 0.114 0.000 0.834 160 V CB 1.210 33.065 31.823 0.054 0.000 1.009 160 V HN 0.999 nan 8.190 nan 0.000 0.428 161 G N 2.143 111.051 108.800 0.180 0.000 2.537 161 G HA2 0.772 4.732 3.960 0.001 0.000 0.308 161 G HA3 0.772 4.732 3.960 0.001 0.000 0.308 161 G C -1.098 173.879 174.900 0.127 0.000 1.237 161 G CA -0.672 44.517 45.100 0.149 0.000 0.968 161 G HN 0.672 nan 8.290 nan 0.000 0.481 162 S N -1.438 114.290 115.700 0.047 0.000 2.547 162 S HA 0.574 5.045 4.470 0.001 0.000 0.270 162 S C -1.810 172.771 174.600 -0.032 0.000 1.150 162 S CA -0.601 57.645 58.200 0.076 0.000 0.850 162 S CB 0.953 64.174 63.200 0.034 0.000 1.118 162 S HN 0.416 nan 8.310 nan 0.000 0.461 163 Y N 2.144 122.426 120.300 -0.030 0.000 2.304 163 Y HA 0.503 5.054 4.550 0.001 0.000 0.328 163 Y C -0.165 175.551 175.900 -0.307 0.000 1.123 163 Y CA -0.183 57.826 58.100 -0.152 0.000 1.218 163 Y CB 0.781 39.105 38.460 -0.227 0.000 1.207 163 Y HN 0.575 nan 8.280 nan 0.000 0.495 164 F N 4.738 124.537 119.950 -0.252 0.000 2.444 164 F HA 0.584 5.112 4.527 0.001 0.000 0.342 164 F C -0.692 174.753 175.800 -0.591 0.000 1.121 164 F CA -1.276 56.518 58.000 -0.343 0.000 0.997 164 F CB 0.722 39.656 39.000 -0.109 0.000 1.130 164 F HN 0.242 nan 8.300 nan 0.000 0.454 165 V N 3.812 122.873 119.914 -1.422 0.000 2.439 165 V HA 0.355 4.475 4.120 0.001 0.000 0.282 165 V C 1.115 176.247 176.094 -1.603 0.000 1.039 165 V CA -0.386 60.898 62.300 -1.693 0.000 0.913 165 V CB 1.525 31.989 31.823 -2.265 0.000 0.983 165 V HN 1.031 nan 8.190 nan 0.000 0.460 166 E N 3.761 123.265 120.200 -1.159 0.000 2.130 166 E HA -0.230 4.121 4.350 0.001 0.000 0.196 166 E C 1.408 177.847 176.600 -0.269 0.000 0.998 166 E CA 2.603 58.742 56.400 -0.435 0.000 0.806 166 E CB -0.080 29.616 29.700 -0.006 0.000 0.738 166 E HN 1.017 nan 8.360 nan 0.000 0.459 167 W N -0.948 120.253 121.300 -0.165 0.000 3.256 167 W HA 0.408 5.069 4.660 0.001 0.000 0.269 167 W C 1.534 177.952 176.519 -0.169 0.000 1.310 167 W CA 0.093 57.421 57.345 -0.029 0.000 1.673 167 W CB -0.516 28.985 29.460 0.068 0.000 1.115 167 W HN -0.033 nan 8.180 nan 0.000 0.686 168 G N 1.640 110.018 108.800 -0.703 0.000 2.598 168 G HA2 -0.139 3.822 3.960 0.001 0.000 0.215 168 G HA3 -0.139 3.822 3.960 0.001 0.000 0.215 168 G C 1.262 175.952 174.900 -0.349 0.000 1.131 168 G CA 1.163 45.917 45.100 -0.576 0.000 0.785 168 G HN 0.458 nan 8.290 nan 0.000 0.539 169 V N -2.800 116.880 119.914 -0.390 0.000 3.444 169 V HA 0.113 4.234 4.120 0.001 0.000 0.271 169 V C 1.658 177.555 176.094 -0.329 0.000 1.188 169 V CA 0.364 62.467 62.300 -0.328 0.000 1.168 169 V CB -1.076 30.522 31.823 -0.375 0.000 0.810 169 V HN 0.258 nan 8.190 nan 0.000 0.500 170 Y N 2.066 122.363 120.300 -0.004 0.000 2.858 170 Y HA 0.581 5.131 4.550 0.001 0.000 0.196 170 Y C 2.661 178.564 175.900 0.005 0.000 0.925 170 Y CA 1.005 59.126 58.100 0.035 0.000 1.172 170 Y CB -1.152 37.348 38.460 0.067 0.000 1.050 170 Y HN 0.075 nan 8.280 nan 0.000 0.460 171 G N 0.091 109.001 108.800 0.184 0.000 2.446 171 G HA2 -0.221 3.740 3.960 0.001 0.000 0.217 171 G HA3 -0.221 3.740 3.960 0.001 0.000 0.217 171 G C 1.550 176.414 174.900 -0.059 0.000 1.168 171 G CA 0.902 46.063 45.100 0.102 0.000 0.771 171 G HN 0.284 nan 8.290 nan 0.000 0.551 172 R N -0.043 120.193 120.500 -0.439 0.000 2.241 172 R HA -0.010 4.330 4.340 0.001 0.000 0.224 172 R C 1.282 177.574 176.300 -0.014 0.000 1.101 172 R CA 0.548 56.385 56.100 -0.438 0.000 0.995 172 R CB -0.432 29.491 30.300 -0.628 0.000 0.870 172 R HN 0.525 nan 8.270 nan 0.000 0.463 173 N N -0.492 118.209 118.700 0.002 0.000 2.696 173 N HA -0.253 4.488 4.740 0.001 0.000 0.249 173 N C -1.225 174.320 175.510 0.059 0.000 1.090 173 N CA 0.064 53.140 53.050 0.042 0.000 0.716 173 N CB -0.632 37.907 38.487 0.087 0.000 1.020 173 N HN 0.101 nan 8.380 nan 0.000 0.548 174 F N 1.663 121.545 119.950 -0.113 0.000 2.361 174 F HA 0.347 4.874 4.527 0.001 0.000 0.364 174 F C 0.840 176.650 175.800 0.017 0.000 1.120 174 F CA 0.010 57.971 58.000 -0.065 0.000 1.102 174 F CB 0.893 39.816 39.000 -0.127 0.000 1.183 174 F HN 0.055 nan 8.300 nan 0.000 0.476 175 T N 1.375 115.809 114.554 -0.201 0.000 2.938 175 T HA 0.367 4.718 4.350 0.001 0.000 0.285 175 T C 0.956 175.608 174.700 -0.079 0.000 1.028 175 T CA -0.751 61.357 62.100 0.014 0.000 1.005 175 T CB 1.404 70.215 68.868 -0.095 0.000 1.157 175 T HN 0.244 nan 8.240 nan 0.000 0.550 176 V N 1.879 121.677 119.914 -0.193 0.000 2.343 176 V HA -0.172 3.949 4.120 0.001 0.000 0.247 176 V C 2.660 178.580 176.094 -0.289 0.000 1.051 176 V CA 2.352 64.381 62.300 -0.451 0.000 1.036 176 V CB -0.965 30.564 31.823 -0.491 0.000 0.654 176 V HN 1.059 nan 8.190 nan 0.000 0.451 177 D N 0.387 120.649 120.400 -0.230 0.000 2.311 177 D HA -0.248 4.393 4.640 0.001 0.000 0.212 177 D C 1.563 177.739 176.300 -0.207 0.000 0.972 177 D CA 1.040 54.929 54.000 -0.185 0.000 0.887 177 D CB -0.242 40.467 40.800 -0.153 0.000 0.915 177 D HN 0.447 nan 8.370 nan 0.000 0.497 178 K N 0.072 120.273 120.400 -0.331 0.000 2.404 178 K HA 0.235 4.556 4.320 0.001 0.000 0.194 178 K C 0.676 177.140 176.600 -0.227 0.000 1.023 178 K CA -0.216 55.816 56.287 -0.426 0.000 1.094 178 K CB 0.803 32.749 32.500 -0.922 0.000 0.841 178 K HN 0.205 nan 8.250 nan 0.000 0.523 179 I N 3.945 124.462 120.570 -0.090 0.000 2.496 179 I HA 0.040 4.210 4.170 0.001 0.000 0.285 179 I C -1.866 174.272 176.117 0.036 0.000 1.080 179 I CA -2.119 59.242 61.300 0.101 0.000 1.404 179 I CB 0.739 38.748 38.000 0.014 0.000 1.403 179 I HN -0.157 nan 8.210 nan 0.000 0.539 180 P HA 0.076 nan 4.420 nan 0.000 0.241 180 P C 0.468 177.748 177.300 -0.033 0.000 1.760 180 P CA -0.047 63.074 63.100 0.035 0.000 1.081 180 P CB 0.391 32.134 31.700 0.071 0.000 1.975 181 A N 3.247 126.001 122.820 -0.110 0.000 2.019 181 A HA -0.223 4.098 4.320 0.001 0.000 0.219 181 A C 2.211 179.538 177.584 -0.428 0.000 1.164 181 A CA 1.443 53.307 52.037 -0.288 0.000 0.644 181 A CB -0.764 17.989 19.000 -0.412 0.000 0.805 181 A HN 0.517 nan 8.150 nan 0.000 0.449 182 Q N -0.766 118.847 119.800 -0.312 0.000 2.291 182 Q HA -0.099 4.242 4.340 0.001 0.000 0.205 182 Q C 0.412 176.386 176.000 -0.044 0.000 0.970 182 Q CA 1.284 56.985 55.803 -0.170 0.000 0.876 182 Q CB -0.428 28.339 28.738 0.048 0.000 0.935 182 Q HN 0.462 nan 8.270 nan 0.000 0.455 183 N N 0.634 119.331 118.700 -0.005 0.000 2.421 183 N HA 0.230 4.971 4.740 0.001 0.000 0.201 183 N C -0.739 174.779 175.510 0.012 0.000 1.198 183 N CA 0.387 53.468 53.050 0.052 0.000 0.838 183 N CB 0.213 38.761 38.487 0.102 0.000 1.011 183 N HN 0.266 nan 8.380 nan 0.000 0.463 184 L N -1.205 120.005 121.223 -0.022 0.000 2.371 184 L HA 0.363 4.704 4.340 0.001 0.000 0.262 184 L C 1.368 178.242 176.870 0.006 0.000 1.006 184 L CA -0.532 54.308 54.840 0.000 0.000 0.818 184 L CB 2.144 44.192 42.059 -0.017 0.000 1.354 184 L HN -0.075 nan 8.230 nan 0.000 0.415 185 T N -3.932 110.664 114.554 0.070 0.000 3.040 185 T HA 0.153 4.503 4.350 0.001 0.000 0.252 185 T C 0.340 175.001 174.700 -0.066 0.000 1.064 185 T CA 0.470 62.603 62.100 0.055 0.000 1.110 185 T CB -0.037 68.954 68.868 0.206 0.000 0.921 185 T HN 0.491 nan 8.240 nan 0.000 0.480 186 H N 0.053 119.138 119.070 0.025 0.000 2.689 186 H HA 0.689 5.245 4.556 0.001 0.000 0.346 186 H C -1.583 173.735 175.328 -0.016 0.000 1.037 186 H CA -0.883 55.185 56.048 0.035 0.000 1.234 186 H CB 1.837 31.649 29.762 0.084 0.000 1.572 186 H HN 0.149 nan 8.280 nan 0.000 0.524 187 L N 4.538 125.793 121.223 0.054 0.000 2.316 187 L HA 0.480 4.820 4.340 0.001 0.000 0.280 187 L C -1.743 175.144 176.870 0.028 0.000 1.006 187 L CA -0.476 54.375 54.840 0.018 0.000 0.836 187 L CB 0.547 42.609 42.059 0.005 0.000 1.221 187 L HN 0.489 nan 8.230 nan 0.000 0.418 188 L N 5.392 126.536 121.223 -0.132 0.000 2.295 188 L HA 0.395 4.735 4.340 0.001 0.000 0.285 188 L C -0.948 175.936 176.870 0.023 0.000 1.035 188 L CA -0.353 54.379 54.840 -0.180 0.000 0.806 188 L CB 1.189 42.790 42.059 -0.764 0.000 1.214 188 L HN 0.502 nan 8.230 nan 0.000 0.426 189 Y N 2.203 122.575 120.300 0.120 0.000 2.518 189 Y HA 0.604 5.154 4.550 0.001 0.000 0.344 189 Y C 0.573 176.565 175.900 0.155 0.000 0.982 189 Y CA -0.739 57.498 58.100 0.228 0.000 1.234 189 Y CB 0.932 39.645 38.460 0.422 0.000 1.114 189 Y HN 0.607 nan 8.280 nan 0.000 0.515 190 G N 5.829 114.381 108.800 -0.413 0.000 2.319 190 G HA2 0.496 4.457 3.960 0.001 0.000 0.308 190 G HA3 0.496 4.457 3.960 0.001 0.000 0.308 190 G C -1.656 172.869 174.900 -0.625 0.000 1.117 190 G CA -0.227 44.379 45.100 -0.823 0.000 0.903 190 G HN 0.464 nan 8.290 nan 0.000 0.436 191 F N 1.552 121.670 119.950 0.281 0.000 2.591 191 F HA 0.412 4.940 4.527 0.001 0.000 0.309 191 F C -0.129 175.877 175.800 0.345 0.000 1.098 191 F CA -1.294 56.917 58.000 0.352 0.000 0.937 191 F CB 1.979 41.211 39.000 0.388 0.000 1.250 191 F HN 0.182 nan 8.300 nan 0.000 0.447 192 I N 5.130 125.982 120.570 0.470 0.000 2.416 192 I HA 0.225 4.396 4.170 0.001 0.000 0.288 192 I C -2.189 174.005 176.117 0.128 0.000 1.051 192 I CA -2.458 58.984 61.300 0.237 0.000 1.375 192 I CB 0.433 38.417 38.000 -0.028 0.000 1.407 192 I HN 0.243 nan 8.210 nan 0.000 0.516 193 P HA 0.460 nan 4.420 nan 0.000 0.282 193 P C -0.707 176.487 177.300 -0.175 0.000 1.259 193 P CA -0.558 62.471 63.100 -0.119 0.000 0.826 193 P CB 1.853 33.417 31.700 -0.227 0.000 1.064 194 I N 0.991 121.408 120.570 -0.255 0.000 2.377 194 I HA 0.232 4.403 4.170 0.001 0.000 0.293 194 I C 0.496 176.411 176.117 -0.336 0.000 0.987 194 I CA -0.831 60.309 61.300 -0.266 0.000 1.185 194 I CB 1.231 38.990 38.000 -0.402 0.000 1.341 194 I HN 0.254 nan 8.210 nan 0.000 0.455 195 c N 4.763 123.185 118.600 -0.297 0.000 2.657 195 c HA 0.602 5.173 4.570 0.001 0.000 0.420 195 c C 0.832 174.636 174.090 -0.477 0.000 1.323 195 c CA 0.113 56.251 56.329 -0.320 0.000 1.894 195 c CB -0.800 41.582 42.510 -0.213 0.000 2.681 195 c HN 1.008 nan 8.230 nan 0.000 0.613 196 G N 2.065 110.604 108.800 -0.434 0.000 2.405 196 G HA2 0.512 4.473 3.960 0.001 0.000 0.303 196 G HA3 0.512 4.473 3.960 0.001 0.000 0.303 196 G C -0.385 174.316 174.900 -0.332 0.000 1.644 196 G CA 0.030 44.857 45.100 -0.456 0.000 0.899 196 G HN 1.032 nan 8.290 nan 0.000 0.667 197 G N 0.271 108.950 108.800 -0.201 0.000 3.182 197 G HA2 0.443 4.404 3.960 0.001 0.000 0.167 197 G HA3 0.443 4.404 3.960 0.001 0.000 0.167 197 G C 0.192 175.239 174.900 0.246 0.000 1.537 197 G CA -0.552 44.553 45.100 0.008 0.000 1.046 197 G HN 0.706 nan 8.290 nan 0.000 0.580 198 N N 0.786 119.647 118.700 0.268 0.000 2.356 198 N HA 0.237 4.978 4.740 0.001 0.000 0.252 198 N C 1.301 176.828 175.510 0.029 0.000 1.241 198 N CA 1.359 54.473 53.050 0.108 0.000 0.861 198 N CB 0.848 39.353 38.487 0.031 0.000 1.075 198 N HN 1.044 nan 8.380 nan 0.000 0.461 199 G N 1.273 110.086 108.800 0.022 0.000 2.267 199 G HA2 -0.303 3.657 3.960 0.001 0.000 0.257 199 G HA3 -0.303 3.657 3.960 0.001 0.000 0.257 199 G C 0.856 175.770 174.900 0.024 0.000 0.998 199 G CA 0.591 45.715 45.100 0.040 0.000 0.620 199 G HN 0.572 nan 8.290 nan 0.000 0.529 200 I N -0.634 119.894 120.570 -0.071 0.000 3.445 200 I HA 0.247 4.417 4.170 0.001 0.000 0.288 200 I C 1.157 177.246 176.117 -0.047 0.000 1.198 200 I CA 0.437 61.618 61.300 -0.199 0.000 1.417 200 I CB 0.205 37.902 38.000 -0.504 0.000 1.205 200 I HN 0.055 nan 8.210 nan 0.000 0.448 201 N N 0.626 119.352 118.700 0.044 0.000 2.588 201 N HA 0.079 4.819 4.740 0.001 0.000 0.298 201 N C -0.082 175.550 175.510 0.203 0.000 1.718 201 N CA 0.076 53.169 53.050 0.072 0.000 0.888 201 N CB 0.586 39.054 38.487 -0.032 0.000 1.389 201 N HN 0.071 nan 8.380 nan 0.000 0.491 202 D N -0.006 120.451 120.400 0.094 0.000 2.218 202 D HA -0.045 4.595 4.640 0.001 0.000 0.204 202 D C 1.513 177.798 176.300 -0.025 0.000 0.976 202 D CA 1.043 55.033 54.000 -0.018 0.000 0.853 202 D CB 0.251 41.020 40.800 -0.052 0.000 0.939 202 D HN 0.102 nan 8.370 nan 0.000 0.481 203 S N 0.475 116.162 115.700 -0.023 0.000 2.400 203 S HA -0.088 4.382 4.470 0.001 0.000 0.232 203 S C 2.068 176.669 174.600 0.002 0.000 1.025 203 S CA 0.372 58.538 58.200 -0.055 0.000 0.993 203 S CB -0.162 62.950 63.200 -0.145 0.000 0.808 203 S HN 0.323 nan 8.310 nan 0.000 0.478 204 L N 0.713 121.978 121.223 0.070 0.000 2.353 204 L HA -0.088 4.253 4.340 0.001 0.000 0.220 204 L C 2.112 179.062 176.870 0.133 0.000 1.133 204 L CA 1.031 55.951 54.840 0.133 0.000 0.798 204 L CB -0.337 41.858 42.059 0.226 0.000 0.922 204 L HN 0.266 nan 8.230 nan 0.000 0.445 205 K N -0.287 120.141 120.400 0.047 0.000 2.365 205 K HA -0.166 4.155 4.320 0.001 0.000 0.199 205 K C 1.740 178.336 176.600 -0.007 0.000 1.045 205 K CA 0.491 56.755 56.287 -0.039 0.000 0.962 205 K CB 0.097 32.461 32.500 -0.227 0.000 0.759 205 K HN 0.031 nan 8.250 nan 0.000 0.469 206 E N 0.481 120.689 120.200 0.012 0.000 2.409 206 E HA -0.019 4.332 4.350 0.001 0.000 0.198 206 E C -0.532 176.089 176.600 0.035 0.000 1.024 206 E CA 0.639 57.055 56.400 0.027 0.000 0.861 206 E CB 0.171 29.899 29.700 0.048 0.000 0.788 206 E HN 0.161 nan 8.360 nan 0.000 0.521 207 I N 0.873 121.466 120.570 0.039 0.000 2.389 207 I HA 0.143 4.314 4.170 0.001 0.000 0.288 207 I C -0.235 175.900 176.117 0.030 0.000 0.999 207 I CA -0.998 60.317 61.300 0.025 0.000 1.129 207 I CB 1.794 39.797 38.000 0.005 0.000 1.288 207 I HN -0.196 nan 8.210 nan 0.000 0.444 208 E N 4.875 125.084 120.200 0.016 0.000 2.694 208 E HA 0.177 4.528 4.350 0.001 0.000 0.250 208 E C 1.276 177.886 176.600 0.017 0.000 0.963 208 E CA 1.618 58.027 56.400 0.015 0.000 0.949 208 E CB 0.048 29.750 29.700 0.004 0.000 0.911 208 E HN 0.810 nan 8.360 nan 0.000 0.500 209 G N 3.016 111.840 108.800 0.040 0.000 2.234 209 G HA2 -0.394 3.567 3.960 0.001 0.000 0.260 209 G HA3 -0.394 3.567 3.960 0.001 0.000 0.260 209 G C 1.192 176.138 174.900 0.076 0.000 0.987 209 G CA 0.837 45.963 45.100 0.043 0.000 0.625 209 G HN 0.642 nan 8.290 nan 0.000 0.532 210 S N -0.878 114.882 115.700 0.102 0.000 2.362 210 S HA 0.165 4.636 4.470 0.001 0.000 0.221 210 S C 1.972 176.728 174.600 0.259 0.000 1.032 210 S CA 1.475 59.765 58.200 0.150 0.000 0.973 210 S CB -0.293 62.981 63.200 0.123 0.000 0.849 210 S HN 0.785 nan 8.310 nan 0.000 0.465 211 F N 2.482 122.476 119.950 0.073 0.000 2.065 211 F HA -0.221 4.307 4.527 0.001 0.000 0.298 211 F C 2.274 178.095 175.800 0.035 0.000 1.112 211 F CA 2.396 60.414 58.000 0.030 0.000 1.212 211 F CB -0.661 38.337 39.000 -0.002 0.000 0.975 211 F HN 0.276 nan 8.300 nan 0.000 0.476 212 Q N 0.460 120.386 119.800 0.209 0.000 2.124 212 Q HA -0.111 4.229 4.340 0.001 0.000 0.202 212 Q C 2.366 178.375 176.000 0.015 0.000 0.977 212 Q CA 1.737 57.594 55.803 0.089 0.000 0.850 212 Q CB -0.910 27.901 28.738 0.123 0.000 0.901 212 Q HN 0.514 nan 8.270 nan 0.000 0.429 213 A N 0.357 123.216 122.820 0.066 0.000 1.933 213 A HA -0.129 4.191 4.320 0.001 0.000 0.218 213 A C 2.014 179.657 177.584 0.099 0.000 1.175 213 A CA 1.204 53.293 52.037 0.086 0.000 0.628 213 A CB -0.587 18.462 19.000 0.082 0.000 0.814 213 A HN 0.362 nan 8.150 nan 0.000 0.444 214 L N -0.517 120.735 121.223 0.049 0.000 2.056 214 L HA -0.151 4.190 4.340 0.001 0.000 0.207 214 L C 2.382 179.138 176.870 -0.191 0.000 1.078 214 L CA 2.000 56.773 54.840 -0.112 0.000 0.749 214 L CB -0.545 41.294 42.059 -0.366 0.000 0.901 214 L HN 0.349 nan 8.230 nan 0.000 0.433 215 Q N -0.297 119.329 119.800 -0.291 0.000 2.124 215 Q HA -0.227 4.113 4.340 0.001 0.000 0.202 215 Q C 2.348 178.294 176.000 -0.090 0.000 0.977 215 Q CA 1.482 57.145 55.803 -0.234 0.000 0.850 215 Q CB -0.615 27.980 28.738 -0.239 0.000 0.901 215 Q HN 0.553 nan 8.270 nan 0.000 0.429 216 R N 0.329 120.805 120.500 -0.041 0.000 2.073 216 R HA -0.096 4.245 4.340 0.001 0.000 0.234 216 R C 2.403 178.728 176.300 0.041 0.000 1.134 216 R CA 1.523 57.630 56.100 0.012 0.000 0.952 216 R CB -0.190 30.129 30.300 0.032 0.000 0.850 216 R HN 0.200 nan 8.270 nan 0.000 0.433 217 S N -0.491 115.241 115.700 0.054 0.000 2.382 217 S HA -0.130 4.341 4.470 0.001 0.000 0.228 217 S C 1.671 176.330 174.600 0.098 0.000 1.027 217 S CA 1.333 59.596 58.200 0.105 0.000 0.991 217 S CB -0.156 63.114 63.200 0.116 0.000 0.823 217 S HN 0.592 nan 8.310 nan 0.000 0.469 218 c N 1.699 120.309 118.600 0.016 0.000 2.673 218 c HA 0.349 4.920 4.570 0.001 0.000 0.274 218 c C 0.947 175.040 174.090 0.006 0.000 1.276 218 c CA -0.707 55.620 56.329 -0.004 0.000 1.701 218 c CB -1.864 40.588 42.510 -0.097 0.000 1.836 218 c HN 0.667 nan 8.230 nan 0.000 0.596 219 Q N 0.615 120.427 119.800 0.019 0.000 2.286 219 Q HA 0.348 4.689 4.340 0.001 0.000 0.290 219 Q C 1.285 177.305 176.000 0.033 0.000 1.049 219 Q CA 1.449 57.262 55.803 0.017 0.000 0.923 219 Q CB 0.149 28.902 28.738 0.024 0.000 1.183 219 Q HN 0.622 nan 8.270 nan 0.000 0.383 220 G N 3.420 112.234 108.800 0.022 0.000 2.162 220 G HA2 -0.341 3.620 3.960 0.001 0.000 0.260 220 G HA3 -0.341 3.620 3.960 0.001 0.000 0.260 220 G C -0.014 174.909 174.900 0.037 0.000 0.976 220 G CA 0.430 45.547 45.100 0.030 0.000 0.655 220 G HN 0.637 nan 8.290 nan 0.000 0.533 221 R N 0.880 121.400 120.500 0.033 0.000 2.494 221 R HA 0.480 4.821 4.340 0.001 0.000 0.305 221 R C 0.230 176.538 176.300 0.014 0.000 0.959 221 R CA -0.748 55.380 56.100 0.047 0.000 0.864 221 R CB 0.814 31.161 30.300 0.078 0.000 1.159 221 R HN 0.375 nan 8.270 nan 0.000 0.446 222 E N 2.781 122.997 120.200 0.027 0.000 2.502 222 E HA -0.075 4.275 4.350 0.001 0.000 0.261 222 E C -0.523 176.064 176.600 -0.022 0.000 0.974 222 E CA 0.250 56.663 56.400 0.021 0.000 0.936 222 E CB 0.401 30.134 29.700 0.055 0.000 0.926 222 E HN 0.467 nan 8.360 nan 0.000 0.459 223 D N 1.165 121.522 120.400 -0.073 0.000 2.474 223 D HA -0.125 4.515 4.640 0.001 0.000 0.232 223 D C 0.508 176.713 176.300 -0.158 0.000 1.177 223 D CA 0.652 54.489 54.000 -0.273 0.000 0.876 223 D CB 0.126 40.733 40.800 -0.323 0.000 1.208 223 D HN 0.465 nan 8.370 nan 0.000 0.464 224 F N -2.165 117.721 119.950 -0.105 0.000 2.748 224 F HA -0.287 4.241 4.527 0.001 0.000 0.370 224 F C 0.936 176.769 175.800 0.055 0.000 0.620 224 F CA 0.767 58.726 58.000 -0.069 0.000 1.233 224 F CB -1.498 37.463 39.000 -0.065 0.000 1.708 224 F HN 0.211 nan 8.300 nan 0.000 0.298 225 K N 1.281 121.732 120.400 0.084 0.000 2.143 225 K HA 0.596 4.916 4.320 0.001 0.000 0.272 225 K C 0.411 177.019 176.600 0.013 0.000 1.001 225 K CA -0.336 55.999 56.287 0.080 0.000 0.915 225 K CB 1.911 34.452 32.500 0.068 0.000 1.047 225 K HN 0.061 nan 8.250 nan 0.000 0.458 226 V N -0.674 119.236 119.914 -0.007 0.000 3.051 226 V HA 0.334 4.455 4.120 0.001 0.000 0.306 226 V C 0.272 176.264 176.094 -0.169 0.000 1.083 226 V CA -0.153 62.081 62.300 -0.109 0.000 1.104 226 V CB 1.457 33.128 31.823 -0.253 0.000 1.027 226 V HN 0.775 nan 8.190 nan 0.000 0.483 227 S N 1.636 117.179 115.700 -0.261 0.000 2.973 227 S HA 0.739 5.209 4.470 0.001 0.000 0.317 227 S C -0.981 173.449 174.600 -0.284 0.000 1.196 227 S CA -0.852 57.061 58.200 -0.478 0.000 0.894 227 S CB 1.335 64.367 63.200 -0.281 0.000 1.292 227 S HN 0.772 nan 8.310 nan 0.000 0.614 228 I N 1.371 121.822 120.570 -0.198 0.000 2.465 228 I HA 0.377 4.548 4.170 0.001 0.000 0.291 228 I C 0.912 177.137 176.117 0.179 0.000 1.014 228 I CA -0.432 60.921 61.300 0.089 0.000 1.093 228 I CB 1.965 40.040 38.000 0.125 0.000 1.267 228 I HN 0.865 nan 8.210 nan 0.000 0.431 229 H N 3.341 122.495 119.070 0.140 0.000 2.363 229 H HA -0.026 4.530 4.556 0.001 0.000 0.301 229 H C 0.133 175.553 175.328 0.153 0.000 1.074 229 H CA 0.747 56.874 56.048 0.132 0.000 1.354 229 H CB 0.643 30.513 29.762 0.181 0.000 1.397 229 H HN 0.514 nan 8.280 nan 0.000 0.516 230 D N -0.627 119.940 120.400 0.278 0.000 2.375 230 D HA 0.125 4.766 4.640 0.001 0.000 0.259 230 D C -2.180 174.243 176.300 0.204 0.000 1.235 230 D CA -2.299 51.833 54.000 0.221 0.000 0.924 230 D CB 1.355 42.300 40.800 0.242 0.000 1.143 230 D HN 0.116 nan 8.370 nan 0.000 0.529 231 P HA -0.037 nan 4.420 nan 0.000 0.225 231 P C 1.212 178.603 177.300 0.152 0.000 1.148 231 P CA 0.352 63.534 63.100 0.138 0.000 0.779 231 P CB 0.053 31.874 31.700 0.201 0.000 0.780 232 F N 1.335 121.347 119.950 0.102 0.000 2.074 232 F HA -0.025 4.502 4.527 0.001 0.000 0.293 232 F C 2.285 178.147 175.800 0.103 0.000 1.116 232 F CA 1.524 59.591 58.000 0.112 0.000 1.212 232 F CB -0.995 38.092 39.000 0.144 0.000 0.998 232 F HN -0.112 nan 8.300 nan 0.000 0.471 233 A N 0.534 123.390 122.820 0.060 0.000 1.940 233 A HA -0.109 4.212 4.320 0.001 0.000 0.219 233 A C 2.358 179.870 177.584 -0.121 0.000 1.176 233 A CA 2.025 53.999 52.037 -0.105 0.000 0.631 233 A CB -1.617 17.429 19.000 0.076 0.000 0.814 233 A HN 0.559 nan 8.150 nan 0.000 0.446 234 A N -1.542 121.219 122.820 -0.098 0.000 1.929 234 A HA 0.253 4.574 4.320 0.001 0.000 0.216 234 A C 1.879 179.233 177.584 -0.384 0.000 1.176 234 A CA 1.492 53.344 52.037 -0.309 0.000 0.628 234 A CB -0.186 18.414 19.000 -0.667 0.000 0.816 234 A HN 0.474 nan 8.150 nan 0.000 0.444 235 L N -2.967 118.102 121.223 -0.258 0.000 3.284 235 L HA 0.177 4.518 4.340 0.001 0.000 0.294 235 L C 1.749 178.578 176.870 -0.068 0.000 1.183 235 L CA 0.268 55.022 54.840 -0.143 0.000 1.056 235 L CB 0.500 42.515 42.059 -0.073 0.000 1.513 235 L HN 0.331 nan 8.230 nan 0.000 0.601 236 Q N -0.821 118.867 119.800 -0.187 0.000 2.254 236 Q HA 0.128 4.469 4.340 0.001 0.000 0.259 236 Q C 0.391 176.154 176.000 -0.395 0.000 0.815 236 Q CA -0.154 55.546 55.803 -0.171 0.000 0.961 236 Q CB 1.441 30.228 28.738 0.081 0.000 1.140 236 Q HN 0.060 nan 8.270 nan 0.000 0.502 237 K N 1.812 121.696 120.400 -0.860 0.000 2.412 237 K HA 0.297 4.618 4.320 0.001 0.000 0.281 237 K C -0.475 175.967 176.600 -0.263 0.000 1.027 237 K CA -0.148 55.686 56.287 -0.755 0.000 0.989 237 K CB 0.635 32.668 32.500 -0.778 0.000 0.935 237 K HN 0.084 nan 8.250 nan 0.000 0.475 238 A N 4.400 127.165 122.820 -0.091 0.000 2.498 238 A HA 0.121 4.441 4.320 0.001 0.000 0.239 238 A C -0.542 177.006 177.584 -0.060 0.000 1.068 238 A CA 0.130 52.144 52.037 -0.038 0.000 0.766 238 A CB 0.429 19.444 19.000 0.026 0.000 1.003 238 A HN 0.727 nan 8.150 nan 0.000 0.497 239 Q N 0.541 120.303 119.800 -0.062 0.000 2.522 239 Q HA 0.243 4.583 4.340 0.001 0.000 0.285 239 Q C -0.985 174.974 176.000 -0.068 0.000 0.982 239 Q CA -0.905 54.855 55.803 -0.071 0.000 0.805 239 Q CB 1.383 30.062 28.738 -0.097 0.000 1.457 239 Q HN 0.843 nan 8.270 nan 0.000 0.394 240 K N 0.196 120.553 120.400 -0.073 0.000 2.511 240 K HA 0.030 4.350 4.320 0.001 0.000 0.277 240 K C 0.878 177.431 176.600 -0.079 0.000 1.025 240 K CA 1.900 58.145 56.287 -0.070 0.000 1.112 240 K CB -0.181 32.273 32.500 -0.077 0.000 0.859 240 K HN 0.849 nan 8.250 nan 0.000 0.485 241 G N 1.859 110.618 108.800 -0.067 0.000 2.234 241 G HA2 -0.289 3.672 3.960 0.001 0.000 0.260 241 G HA3 -0.289 3.672 3.960 0.001 0.000 0.260 241 G C 0.073 174.933 174.900 -0.067 0.000 0.987 241 G CA 0.335 45.392 45.100 -0.072 0.000 0.625 241 G HN 0.941 nan 8.290 nan 0.000 0.532 242 V N -1.807 118.071 119.914 -0.061 0.000 2.502 242 V HA 0.740 4.860 4.120 0.001 0.000 0.261 242 V C 0.647 176.718 176.094 -0.038 0.000 0.996 242 V CA 0.740 63.011 62.300 -0.049 0.000 1.095 242 V CB -0.010 31.785 31.823 -0.045 0.000 1.325 242 V HN 0.818 nan 8.190 nan 0.000 0.574 243 T N -1.913 112.625 114.554 -0.028 0.000 3.003 243 T HA 0.583 4.934 4.350 0.001 0.000 0.261 243 T C 0.815 175.526 174.700 0.017 0.000 1.003 243 T CA 0.610 62.709 62.100 -0.002 0.000 0.917 243 T CB 0.748 69.617 68.868 0.002 0.000 1.084 243 T HN 1.137 nan 8.240 nan 0.000 0.522 244 A N 2.477 125.286 122.820 -0.018 0.000 2.354 244 A HA 0.496 4.817 4.320 0.001 0.000 0.269 244 A C 1.260 178.812 177.584 -0.053 0.000 1.109 244 A CA -0.778 51.241 52.037 -0.030 0.000 0.800 244 A CB 0.070 19.003 19.000 -0.111 0.000 1.045 244 A HN 0.603 nan 8.150 nan 0.000 0.489 245 W N 2.511 123.797 121.300 -0.023 0.000 2.342 245 W HA -0.184 4.477 4.660 0.001 0.000 0.297 245 W C -0.002 176.493 176.519 -0.040 0.000 1.213 245 W CA 1.643 58.975 57.345 -0.021 0.000 1.251 245 W CB -0.575 28.876 29.460 -0.016 0.000 1.136 245 W HN 0.745 nan 8.180 nan 0.000 0.526 246 D N 0.165 119.879 120.400 -1.143 0.000 2.328 246 D HA -0.033 4.607 4.640 0.001 0.000 0.221 246 D C -0.335 175.629 176.300 -0.559 0.000 1.072 246 D CA -0.021 53.307 54.000 -1.120 0.000 0.850 246 D CB -0.917 38.893 40.800 -1.649 0.000 0.922 246 D HN -0.153 nan 8.370 nan 0.000 0.516 247 D N 1.964 122.145 120.400 -0.364 0.000 2.434 247 D HA 0.038 4.678 4.640 0.001 0.000 0.252 247 D C -1.353 174.787 176.300 -0.267 0.000 1.185 247 D CA -1.328 52.523 54.000 -0.249 0.000 0.886 247 D CB 1.515 42.237 40.800 -0.131 0.000 1.148 247 D HN 0.065 nan 8.370 nan 0.000 0.483 248 P HA -0.067 nan 4.420 nan 0.000 0.219 248 P C -0.541 176.463 177.300 -0.494 0.000 1.150 248 P CA 0.945 63.696 63.100 -0.582 0.000 0.814 248 P CB 0.214 31.339 31.700 -0.959 0.000 0.787 249 Y N -0.619 119.710 120.300 0.048 0.000 2.331 249 Y HA 0.486 5.037 4.550 0.001 0.000 0.334 249 Y C 0.864 176.767 175.900 0.006 0.000 0.960 249 Y CA -1.082 57.062 58.100 0.073 0.000 1.130 249 Y CB 1.495 40.043 38.460 0.147 0.000 1.164 249 Y HN -0.280 nan 8.280 nan 0.000 0.458 250 K N 0.887 121.341 120.400 0.091 0.000 1.884 250 K HA 0.794 5.115 4.320 0.001 0.000 0.250 250 K C 0.319 176.880 176.600 -0.065 0.000 1.009 250 K CA -0.698 55.583 56.287 -0.011 0.000 0.925 250 K CB 1.096 33.571 32.500 -0.041 0.000 1.839 250 K HN 0.760 nan 8.250 nan 0.000 0.735 251 G N 0.858 109.578 108.800 -0.134 0.000 2.641 251 G HA2 -0.346 3.614 3.960 0.001 0.000 0.254 251 G HA3 -0.346 3.614 3.960 0.001 0.000 0.254 251 G C 0.235 175.074 174.900 -0.101 0.000 1.315 251 G CA 0.610 45.609 45.100 -0.169 0.000 0.907 251 G HN 0.766 nan 8.290 nan 0.000 0.572 252 N N -0.812 117.872 118.700 -0.026 0.000 2.084 252 N HA -0.080 4.661 4.740 0.001 0.000 0.190 252 N C 2.122 177.600 175.510 -0.053 0.000 1.030 252 N CA 1.724 54.805 53.050 0.052 0.000 0.849 252 N CB -0.176 38.533 38.487 0.371 0.000 1.012 252 N HN 0.381 nan 8.380 nan 0.000 0.423 253 F N 1.335 121.049 119.950 -0.393 0.000 2.095 253 F HA -0.061 4.466 4.527 0.001 0.000 0.298 253 F C 2.656 178.031 175.800 -0.708 0.000 1.104 253 F CA 1.054 58.652 58.000 -0.669 0.000 1.232 253 F CB -1.387 37.280 39.000 -0.556 0.000 0.987 253 F HN 0.063 nan 8.300 nan 0.000 0.475 254 G N -0.912 107.794 108.800 -0.157 0.000 2.418 254 G HA2 -0.229 3.731 3.960 0.001 0.000 0.217 254 G HA3 -0.229 3.731 3.960 0.001 0.000 0.217 254 G C 1.560 176.317 174.900 -0.238 0.000 1.158 254 G CA 0.523 45.558 45.100 -0.108 0.000 0.771 254 G HN 0.358 nan 8.290 nan 0.000 0.545 255 Q N -0.265 119.388 119.800 -0.245 0.000 2.135 255 Q HA 0.004 4.345 4.340 0.001 0.000 0.204 255 Q C 2.640 178.409 176.000 -0.385 0.000 0.981 255 Q CA 0.850 56.489 55.803 -0.275 0.000 0.856 255 Q CB -0.254 28.341 28.738 -0.239 0.000 0.902 255 Q HN 0.444 nan 8.270 nan 0.000 0.425 256 L N -0.231 120.643 121.223 -0.581 0.000 2.141 256 L HA -0.163 4.177 4.340 0.001 0.000 0.209 256 L C 2.385 178.829 176.870 -0.709 0.000 1.094 256 L CA 0.803 55.223 54.840 -0.701 0.000 0.763 256 L CB -0.225 41.226 42.059 -1.013 0.000 0.908 256 L HN 0.334 nan 8.230 nan 0.000 0.437 257 M N -0.800 118.315 119.600 -0.809 0.000 2.132 257 M HA -0.159 4.322 4.480 0.001 0.000 0.263 257 M C 2.446 178.565 176.300 -0.303 0.000 1.065 257 M CA 1.907 56.891 55.300 -0.527 0.000 1.122 257 M CB -0.401 31.974 32.600 -0.376 0.000 1.365 257 M HN 0.277 nan 8.290 nan 0.000 0.411 258 A N -0.150 122.500 122.820 -0.283 0.000 2.014 258 A HA -0.084 4.236 4.320 0.001 0.000 0.218 258 A C 2.051 179.527 177.584 -0.180 0.000 1.163 258 A CA 0.990 52.896 52.037 -0.218 0.000 0.652 258 A CB -0.618 18.266 19.000 -0.194 0.000 0.808 258 A HN 0.418 nan 8.150 nan 0.000 0.449 259 L N -0.535 120.577 121.223 -0.186 0.000 2.093 259 L HA -0.059 4.281 4.340 0.001 0.000 0.208 259 L C 2.218 179.064 176.870 -0.041 0.000 1.085 259 L CA 2.230 57.017 54.840 -0.090 0.000 0.755 259 L CB -0.361 41.629 42.059 -0.115 0.000 0.904 259 L HN 0.250 nan 8.230 nan 0.000 0.435 260 K N -0.626 119.718 120.400 -0.094 0.000 2.063 260 K HA -0.172 4.149 4.320 0.001 0.000 0.208 260 K C 2.110 178.668 176.600 -0.070 0.000 1.048 260 K CA 1.416 57.671 56.287 -0.053 0.000 0.928 260 K CB -0.244 32.224 32.500 -0.054 0.000 0.713 260 K HN 0.325 nan 8.250 nan 0.000 0.442 261 Q N -0.618 119.115 119.800 -0.111 0.000 2.226 261 Q HA -0.061 4.280 4.340 0.001 0.000 0.204 261 Q C 1.905 177.813 176.000 -0.153 0.000 0.975 261 Q CA 1.563 57.292 55.803 -0.122 0.000 0.866 261 Q CB -0.219 28.434 28.738 -0.142 0.000 0.915 261 Q HN 0.407 nan 8.270 nan 0.000 0.440 262 A N -0.126 122.572 122.820 -0.204 0.000 2.030 262 A HA -0.034 4.287 4.320 0.001 0.000 0.215 262 A C 0.504 177.745 177.584 -0.571 0.000 1.164 262 A CA 0.436 52.244 52.037 -0.381 0.000 0.697 262 A CB 0.146 18.866 19.000 -0.466 0.000 0.827 262 A HN 0.240 nan 8.150 nan 0.000 0.457 263 H N -0.745 118.285 119.070 -0.066 0.000 2.488 263 H HA 0.204 4.761 4.556 0.001 0.000 0.237 263 H C -2.267 173.029 175.328 -0.053 0.000 1.395 263 H CA -1.463 54.553 56.048 -0.053 0.000 1.491 263 H CB 0.733 30.463 29.762 -0.053 0.000 1.567 263 H HN 0.275 nan 8.280 nan 0.000 0.508 264 P HA -0.068 nan 4.420 nan 0.000 0.226 264 P C 0.625 177.925 177.300 -0.001 0.000 1.153 264 P CA 0.897 63.995 63.100 -0.004 0.000 0.777 264 P CB 0.588 32.273 31.700 -0.024 0.000 0.794 265 D N -0.933 119.477 120.400 0.017 0.000 2.349 265 D HA 0.054 4.695 4.640 0.001 0.000 0.214 265 D C 0.782 177.068 176.300 -0.023 0.000 1.063 265 D CA -0.204 53.794 54.000 -0.002 0.000 0.847 265 D CB 0.008 40.812 40.800 0.008 0.000 0.933 265 D HN 0.138 nan 8.370 nan 0.000 0.513 266 L N 2.199 123.417 121.223 -0.008 0.000 2.513 266 L HA 0.019 4.359 4.340 0.001 0.000 0.272 266 L C 0.134 176.957 176.870 -0.079 0.000 1.187 266 L CA 0.139 54.946 54.840 -0.054 0.000 0.895 266 L CB 0.305 42.342 42.059 -0.036 0.000 1.147 266 L HN -0.306 nan 8.230 nan 0.000 0.483 267 K N 7.468 127.764 120.400 -0.172 0.000 2.248 267 K HA 0.404 4.724 4.320 0.001 0.000 0.281 267 K C -0.751 175.831 176.600 -0.030 0.000 1.054 267 K CA -0.192 56.006 56.287 -0.149 0.000 0.903 267 K CB 1.143 33.417 32.500 -0.377 0.000 1.077 267 K HN 0.583 nan 8.250 nan 0.000 0.474 268 I N 5.038 125.657 120.570 0.082 0.000 2.354 268 I HA 0.297 4.468 4.170 0.001 0.000 0.286 268 I C -0.271 176.073 176.117 0.378 0.000 1.007 268 I CA -0.661 60.755 61.300 0.193 0.000 1.167 268 I CB 0.803 38.896 38.000 0.156 0.000 1.320 268 I HN 0.254 nan 8.210 nan 0.000 0.458 269 L N 8.181 129.610 121.223 0.343 0.000 2.329 269 L HA 0.578 4.919 4.340 0.001 0.000 0.279 269 L C -2.452 174.513 176.870 0.158 0.000 1.014 269 L CA -1.971 53.031 54.840 0.270 0.000 0.814 269 L CB 2.123 44.327 42.059 0.243 0.000 1.257 269 L HN 0.292 nan 8.230 nan 0.000 0.424 270 P HA 0.172 nan 4.420 nan 0.000 0.287 270 P C -0.914 176.422 177.300 0.060 0.000 1.281 270 P CA -0.423 62.499 63.100 -0.296 0.000 0.781 270 P CB 1.406 32.535 31.700 -0.951 0.000 0.903 271 S N 3.864 119.728 115.700 0.273 0.000 2.422 271 S HA 0.403 4.873 4.470 0.001 0.000 0.298 271 S C 0.501 175.399 174.600 0.496 0.000 1.118 271 S CA -0.529 57.934 58.200 0.438 0.000 1.083 271 S CB -0.135 63.480 63.200 0.692 0.000 0.971 271 S HN 0.314 nan 8.310 nan 0.000 0.478 272 I N 3.667 124.469 120.570 0.387 0.000 2.315 272 I HA 0.564 4.734 4.170 0.001 0.000 0.291 272 I C 1.071 177.431 176.117 0.406 0.000 1.006 272 I CA 0.061 61.570 61.300 0.348 0.000 1.265 272 I CB 0.586 38.794 38.000 0.346 0.000 1.387 272 I HN 0.893 nan 8.210 nan 0.000 0.475 273 G N 4.362 113.296 108.800 0.223 0.000 2.785 273 G HA2 0.273 4.233 3.960 0.001 0.000 0.218 273 G HA3 0.273 4.233 3.960 0.001 0.000 0.218 273 G C 0.086 174.693 174.900 -0.488 0.000 1.251 273 G CA -0.002 45.145 45.100 0.079 0.000 1.129 273 G HN 1.494 nan 8.290 nan 0.000 0.573 274 G N -1.967 106.491 108.800 -0.569 0.000 2.710 274 G HA2 0.028 3.988 3.960 0.001 0.000 0.668 274 G HA3 0.028 3.988 3.960 0.001 0.000 0.668 274 G C 0.815 175.450 174.900 -0.440 0.000 1.320 274 G CA 0.551 45.026 45.100 -1.041 0.000 0.860 274 G HN 1.980 nan 8.290 nan 0.000 0.538 275 W N 0.190 121.213 121.300 -0.463 0.000 2.338 275 W HA -0.173 4.488 4.660 0.001 0.000 0.304 275 W C 2.311 178.718 176.519 -0.188 0.000 1.212 275 W CA 3.270 60.447 57.345 -0.280 0.000 1.264 275 W CB -0.397 28.940 29.460 -0.204 0.000 1.142 275 W HN 1.018 nan 8.180 nan 0.000 0.512 276 T N -2.199 112.284 114.554 -0.118 0.000 3.040 276 T HA 0.157 4.507 4.350 0.001 0.000 0.250 276 T C 1.413 176.028 174.700 -0.143 0.000 1.058 276 T CA 0.068 62.085 62.100 -0.139 0.000 0.988 276 T CB -0.350 68.517 68.868 -0.002 0.000 0.993 276 T HN 0.120 nan 8.240 nan 0.000 0.519 277 L N 0.692 121.807 121.223 -0.179 0.000 2.959 277 L HA 0.392 4.733 4.340 0.001 0.000 0.259 277 L C 1.741 178.504 176.870 -0.179 0.000 1.185 277 L CA -0.125 54.610 54.840 -0.174 0.000 0.998 277 L CB 0.401 42.373 42.059 -0.146 0.000 1.337 277 L HN 0.162 nan 8.230 nan 0.000 0.555 278 S N -0.392 115.237 115.700 -0.118 0.000 2.527 278 S HA -0.079 4.391 4.470 0.001 0.000 0.222 278 S C 1.169 175.795 174.600 0.043 0.000 0.985 278 S CA 0.425 58.651 58.200 0.043 0.000 0.921 278 S CB -0.013 63.252 63.200 0.108 0.000 0.772 278 S HN 0.392 nan 8.310 nan 0.000 0.529 279 D N 2.055 122.486 120.400 0.051 0.000 2.149 279 D HA -0.067 4.574 4.640 0.001 0.000 0.198 279 D C -0.923 175.538 176.300 0.267 0.000 0.990 279 D CA 1.088 55.241 54.000 0.254 0.000 0.839 279 D CB -1.431 39.458 40.800 0.148 0.000 0.948 279 D HN 0.340 nan 8.370 nan 0.000 0.460 280 P HA -0.046 nan 4.420 nan 0.000 0.223 280 P C 1.111 178.373 177.300 -0.062 0.000 1.151 280 P CA 0.591 63.714 63.100 0.037 0.000 0.787 280 P CB -0.108 31.376 31.700 -0.360 0.000 0.788 281 F N -1.607 118.023 119.950 -0.533 0.000 2.202 281 F HA -0.144 4.383 4.527 0.001 0.000 0.301 281 F C 1.837 177.024 175.800 -1.022 0.000 1.082 281 F CA 1.214 58.491 58.000 -1.206 0.000 1.313 281 F CB -1.641 35.881 39.000 -2.462 0.000 1.024 281 F HN -0.125 nan 8.300 nan 0.000 0.495 282 F N -1.435 118.338 119.950 -0.295 0.000 2.449 282 F HA -0.166 4.362 4.527 0.001 0.000 0.299 282 F C 1.636 177.175 175.800 -0.435 0.000 1.092 282 F CA 0.985 58.849 58.000 -0.226 0.000 1.446 282 F CB -1.121 37.721 39.000 -0.263 0.000 1.084 282 F HN -0.073 nan 8.300 nan 0.000 0.567 283 F N -1.834 118.128 119.950 0.020 0.000 2.727 283 F HA 0.147 4.674 4.527 0.001 0.000 0.302 283 F C 1.818 177.468 175.800 -0.250 0.000 1.097 283 F CA 0.137 58.078 58.000 -0.098 0.000 1.330 283 F CB -0.588 38.325 39.000 -0.144 0.000 1.084 283 F HN -0.119 nan 8.300 nan 0.000 0.578 284 M N 0.022 119.549 119.600 -0.121 0.000 2.618 284 M HA 0.088 4.569 4.480 0.001 0.000 0.240 284 M C 2.240 178.503 176.300 -0.062 0.000 1.123 284 M CA 0.354 55.561 55.300 -0.156 0.000 1.060 284 M CB -0.389 32.086 32.600 -0.208 0.000 1.535 284 M HN 0.277 nan 8.290 nan 0.000 0.507 285 G N 0.128 108.918 108.800 -0.017 0.000 2.462 285 G HA2 -0.199 3.762 3.960 0.001 0.000 0.220 285 G HA3 -0.199 3.762 3.960 0.001 0.000 0.220 285 G C 0.455 175.347 174.900 -0.013 0.000 1.121 285 G CA 0.422 45.529 45.100 0.012 0.000 0.758 285 G HN 0.367 nan 8.290 nan 0.000 0.559 286 D N 0.095 120.466 120.400 -0.047 0.000 2.348 286 D HA 0.111 4.752 4.640 0.001 0.000 0.259 286 D C 1.489 177.748 176.300 -0.069 0.000 1.296 286 D CA -0.170 53.792 54.000 -0.062 0.000 0.931 286 D CB 0.774 41.514 40.800 -0.100 0.000 1.067 286 D HN 0.180 nan 8.370 nan 0.000 0.503 287 K N 2.521 122.901 120.400 -0.033 0.000 2.113 287 K HA -0.147 4.173 4.320 0.001 0.000 0.208 287 K C 1.679 178.265 176.600 -0.024 0.000 1.047 287 K CA 1.047 57.324 56.287 -0.018 0.000 0.928 287 K CB 0.148 32.647 32.500 -0.002 0.000 0.716 287 K HN 0.327 nan 8.250 nan 0.000 0.446 288 V N 1.329 121.221 119.914 -0.035 0.000 2.282 288 V HA -0.305 3.815 4.120 0.001 0.000 0.249 288 V C 2.105 178.172 176.094 -0.045 0.000 1.057 288 V CA 2.064 64.345 62.300 -0.031 0.000 1.032 288 V CB -0.380 31.423 31.823 -0.033 0.000 0.645 288 V HN 0.370 nan 8.190 nan 0.000 0.447 289 K N -0.510 119.815 120.400 -0.125 0.000 2.076 289 K HA -0.093 4.227 4.320 0.001 0.000 0.204 289 K C 2.414 178.973 176.600 -0.067 0.000 1.051 289 K CA 0.989 57.148 56.287 -0.214 0.000 0.949 289 K CB -0.215 31.872 32.500 -0.688 0.000 0.726 289 K HN 0.255 nan 8.250 nan 0.000 0.443 290 R N 1.228 121.695 120.500 -0.055 0.000 2.105 290 R HA -0.167 4.173 4.340 0.001 0.000 0.239 290 R C 1.360 177.735 176.300 0.125 0.000 1.135 290 R CA 1.840 57.975 56.100 0.058 0.000 0.967 290 R CB -0.019 30.298 30.300 0.029 0.000 0.861 290 R HN 0.124 nan 8.270 nan 0.000 0.442 291 D N -0.393 120.045 120.400 0.063 0.000 2.117 291 D HA -0.160 4.481 4.640 0.001 0.000 0.198 291 D C 1.861 178.197 176.300 0.060 0.000 0.982 291 D CA 0.969 55.000 54.000 0.052 0.000 0.828 291 D CB -0.163 40.653 40.800 0.026 0.000 0.967 291 D HN 0.210 nan 8.370 nan 0.000 0.464 292 R N -0.457 120.090 120.500 0.077 0.000 2.073 292 R HA -0.152 4.189 4.340 0.001 0.000 0.234 292 R C 2.282 178.659 176.300 0.129 0.000 1.134 292 R CA 0.882 57.037 56.100 0.092 0.000 0.952 292 R CB -0.507 29.858 30.300 0.109 0.000 0.850 292 R HN 0.152 nan 8.270 nan 0.000 0.433 293 F N 1.117 121.086 119.950 0.031 0.000 2.043 293 F HA -0.261 4.266 4.527 0.001 0.000 0.297 293 F C 1.984 177.787 175.800 0.005 0.000 1.121 293 F CA 1.883 59.893 58.000 0.017 0.000 1.199 293 F CB -0.717 38.288 39.000 0.009 0.000 0.968 293 F HN -0.185 nan 8.300 nan 0.000 0.478 294 V N 0.869 120.685 119.914 -0.163 0.000 2.287 294 V HA -0.295 3.826 4.120 0.001 0.000 0.248 294 V C 2.824 178.804 176.094 -0.191 0.000 1.053 294 V CA 2.051 64.207 62.300 -0.240 0.000 1.027 294 V CB -1.864 29.939 31.823 -0.034 0.000 0.646 294 V HN 0.606 nan 8.190 nan 0.000 0.447 295 G N 0.040 108.786 108.800 -0.090 0.000 2.469 295 G HA2 -0.326 3.634 3.960 0.001 0.000 0.220 295 G HA3 -0.326 3.634 3.960 0.001 0.000 0.220 295 G C 1.864 176.723 174.900 -0.068 0.000 1.136 295 G CA 1.592 46.657 45.100 -0.059 0.000 0.759 295 G HN 0.672 nan 8.290 nan 0.000 0.562 296 S N -0.248 115.396 115.700 -0.092 0.000 2.436 296 S HA 0.024 4.494 4.470 0.001 0.000 0.228 296 S C 2.276 176.830 174.600 -0.077 0.000 1.014 296 S CA 1.121 59.295 58.200 -0.043 0.000 0.950 296 S CB -0.107 63.087 63.200 -0.010 0.000 0.784 296 S HN 0.095 nan 8.310 nan 0.000 0.504 297 V N 2.567 122.314 119.914 -0.279 0.000 2.343 297 V HA -0.159 3.962 4.120 0.001 0.000 0.247 297 V C 2.779 178.832 176.094 -0.069 0.000 1.051 297 V CA 2.177 64.329 62.300 -0.247 0.000 1.036 297 V CB -0.806 30.731 31.823 -0.476 0.000 0.654 297 V HN 0.589 nan 8.190 nan 0.000 0.451 298 K N 0.382 120.718 120.400 -0.106 0.000 2.009 298 K HA -0.295 4.026 4.320 0.001 0.000 0.210 298 K C 2.288 178.874 176.600 -0.023 0.000 1.049 298 K CA 2.294 58.530 56.287 -0.085 0.000 0.929 298 K CB -0.291 32.156 32.500 -0.088 0.000 0.714 298 K HN 0.605 nan 8.250 nan 0.000 0.440 299 E N -0.265 119.941 120.200 0.011 0.000 2.085 299 E HA -0.242 4.108 4.350 0.001 0.000 0.194 299 E C 1.973 178.626 176.600 0.088 0.000 0.994 299 E CA 1.336 57.758 56.400 0.036 0.000 0.801 299 E CB -0.296 29.434 29.700 0.050 0.000 0.743 299 E HN 0.409 nan 8.360 nan 0.000 0.453 300 F N 1.248 121.216 119.950 0.030 0.000 2.126 300 F HA -0.180 4.347 4.527 0.001 0.000 0.299 300 F C 2.049 177.918 175.800 0.115 0.000 1.096 300 F CA 1.501 59.590 58.000 0.148 0.000 1.255 300 F CB -0.088 39.002 39.000 0.151 0.000 0.997 300 F HN 0.015 nan 8.300 nan 0.000 0.479 301 L N -0.380 120.961 121.223 0.197 0.000 2.141 301 L HA -0.216 4.125 4.340 0.001 0.000 0.209 301 L C 2.358 179.221 176.870 -0.012 0.000 1.094 301 L CA 1.275 56.165 54.840 0.083 0.000 0.763 301 L CB -0.713 41.335 42.059 -0.019 0.000 0.908 301 L HN 0.236 nan 8.230 nan 0.000 0.437 302 Q N -0.966 118.801 119.800 -0.054 0.000 2.172 302 Q HA -0.118 4.222 4.340 0.001 0.000 0.200 302 Q C 2.151 178.052 176.000 -0.165 0.000 0.964 302 Q CA 1.673 57.431 55.803 -0.076 0.000 0.855 302 Q CB -0.070 28.628 28.738 -0.067 0.000 0.918 302 Q HN 0.438 nan 8.270 nan 0.000 0.444 303 T N -0.170 114.212 114.554 -0.285 0.000 2.737 303 T HA -0.118 4.233 4.350 0.001 0.000 0.265 303 T C -0.127 174.120 174.700 -0.754 0.000 1.038 303 T CA 0.919 62.658 62.100 -0.603 0.000 1.144 303 T CB -0.104 68.258 68.868 -0.843 0.000 0.866 303 T HN 0.314 nan 8.240 nan 0.000 0.434 304 W N 2.217 123.359 121.300 -0.265 0.000 2.309 304 W HA 0.459 5.119 4.660 0.001 0.000 0.332 304 W C 0.890 177.195 176.519 -0.357 0.000 0.962 304 W CA -1.021 56.106 57.345 -0.364 0.000 1.497 304 W CB 0.488 29.566 29.460 -0.635 0.000 1.308 304 W HN 0.018 nan 8.180 nan 0.000 0.384 305 K N 1.395 121.792 120.400 -0.005 0.000 2.365 305 K HA -0.100 4.221 4.320 0.001 0.000 0.199 305 K C 1.562 178.167 176.600 0.007 0.000 1.045 305 K CA 0.922 57.221 56.287 0.021 0.000 0.962 305 K CB -0.108 32.421 32.500 0.049 0.000 0.759 305 K HN 0.567 nan 8.250 nan 0.000 0.469 306 F N -0.397 119.486 119.950 -0.112 0.000 2.451 306 F HA 0.089 4.616 4.527 0.001 0.000 0.299 306 F C 0.397 176.085 175.800 -0.185 0.000 1.101 306 F CA -0.260 57.610 58.000 -0.217 0.000 1.436 306 F CB -0.484 38.282 39.000 -0.390 0.000 1.074 306 F HN -0.285 nan 8.300 nan 0.000 0.553 307 F N 2.133 121.755 119.950 -0.547 0.000 2.399 307 F HA 0.203 4.731 4.527 0.001 0.000 0.342 307 F C 1.049 176.853 175.800 0.007 0.000 1.106 307 F CA -0.909 56.912 58.000 -0.298 0.000 1.196 307 F CB 0.379 39.173 39.000 -0.343 0.000 1.163 307 F HN -0.021 nan 8.300 nan 0.000 0.547 308 D N 1.808 122.384 120.400 0.294 0.000 2.427 308 D HA 0.340 4.980 4.640 0.001 0.000 0.224 308 D C 0.926 177.454 176.300 0.381 0.000 1.157 308 D CA 0.431 54.561 54.000 0.216 0.000 0.828 308 D CB 0.476 41.330 40.800 0.088 0.000 0.974 308 D HN 0.743 nan 8.370 nan 0.000 0.498 309 G N -0.413 108.638 108.800 0.420 0.000 2.288 309 G HA2 0.128 4.088 3.960 0.001 0.000 0.227 309 G HA3 0.128 4.088 3.960 0.001 0.000 0.227 309 G C -1.833 173.163 174.900 0.159 0.000 1.339 309 G CA -0.207 45.083 45.100 0.316 0.000 1.057 309 G HN 0.168 nan 8.290 nan 0.000 0.470 310 V N 0.625 120.622 119.914 0.138 0.000 2.817 310 V HA 0.650 4.770 4.120 0.001 0.000 0.303 310 V C -1.876 174.316 176.094 0.163 0.000 1.151 310 V CA -0.159 62.198 62.300 0.095 0.000 0.929 310 V CB 1.920 33.763 31.823 0.033 0.000 1.030 310 V HN 1.113 nan 8.190 nan 0.000 0.427 311 D N 5.765 126.283 120.400 0.196 0.000 2.217 311 D HA 0.509 5.149 4.640 0.001 0.000 0.243 311 D C -0.818 175.654 176.300 0.287 0.000 1.054 311 D CA -0.366 53.800 54.000 0.278 0.000 0.838 311 D CB 1.369 42.367 40.800 0.330 0.000 1.162 311 D HN 0.383 nan 8.370 nan 0.000 0.472 312 I N 3.605 124.333 120.570 0.264 0.000 2.354 312 I HA 0.225 4.395 4.170 0.001 0.000 0.286 312 I C -0.740 175.498 176.117 0.201 0.000 1.007 312 I CA -0.637 60.794 61.300 0.218 0.000 1.167 312 I CB 1.339 39.390 38.000 0.085 0.000 1.320 312 I HN 0.350 nan 8.210 nan 0.000 0.458 313 D N 6.468 127.006 120.400 0.230 0.000 2.514 313 D HA 0.062 4.703 4.640 0.001 0.000 0.267 313 D C -0.331 176.007 176.300 0.064 0.000 1.165 313 D CA -0.192 53.926 54.000 0.197 0.000 0.958 313 D CB 0.526 41.494 40.800 0.280 0.000 0.992 313 D HN 0.354 nan 8.370 nan 0.000 0.506 314 W N 2.921 123.992 121.300 -0.381 0.000 2.416 314 W HA 0.223 4.883 4.660 0.001 0.000 0.318 314 W C -0.432 175.871 176.519 -0.361 0.000 1.150 314 W CA -0.976 55.980 57.345 -0.648 0.000 1.392 314 W CB 0.099 28.951 29.460 -1.014 0.000 1.311 314 W HN 0.133 nan 8.180 nan 0.000 0.436 315 E N 6.683 126.852 120.200 -0.052 0.000 2.070 315 E HA 0.344 4.695 4.350 0.001 0.000 0.261 315 E C -1.308 174.958 176.600 -0.556 0.000 0.926 315 E CA -0.380 55.529 56.400 -0.819 0.000 0.760 315 E CB 0.725 29.801 29.700 -1.039 0.000 1.133 315 E HN 0.122 nan 8.360 nan 0.000 0.420 316 F N 1.495 121.552 119.950 0.179 0.000 2.613 316 F HA 0.363 4.890 4.527 0.001 0.000 0.310 316 F C -2.429 173.022 175.800 -0.581 0.000 1.085 316 F CA -3.024 54.842 58.000 -0.225 0.000 0.945 316 F CB 1.385 40.316 39.000 -0.115 0.000 1.298 316 F HN 0.153 nan 8.300 nan 0.000 0.455 317 P HA 0.223 nan 4.420 nan 0.000 0.264 317 P C 0.655 177.783 177.300 -0.287 0.000 1.193 317 P CA 1.207 63.636 63.100 -1.118 0.000 0.763 317 P CB 0.502 31.475 31.700 -1.211 0.000 0.810 318 G N 2.054 110.875 108.800 0.036 0.000 2.213 318 G HA2 0.037 3.998 3.960 0.001 0.000 0.236 318 G HA3 0.037 3.998 3.960 0.001 0.000 0.236 318 G C 0.584 175.604 174.900 0.200 0.000 0.991 318 G CA 0.129 45.287 45.100 0.097 0.000 0.629 318 G HN 0.992 nan 8.290 nan 0.000 0.517 319 G N 0.284 109.334 108.800 0.418 0.000 2.542 319 G HA2 0.134 4.094 3.960 0.001 0.000 0.235 319 G HA3 0.134 4.094 3.960 0.001 0.000 0.235 319 G C 0.451 175.512 174.900 0.268 0.000 1.286 319 G CA 0.742 45.999 45.100 0.262 0.000 0.904 319 G HN 1.544 nan 8.290 nan 0.000 0.577 320 K N -1.322 119.164 120.400 0.143 0.000 3.129 320 K HA -0.159 4.161 4.320 0.001 0.000 0.273 320 K C 1.089 177.884 176.600 0.326 0.000 1.123 320 K CA 1.440 57.834 56.287 0.179 0.000 0.800 320 K CB -1.820 30.759 32.500 0.132 0.000 1.238 320 K HN 1.631 nan 8.250 nan 0.000 0.492 321 G N 0.062 108.942 108.800 0.134 0.000 2.945 321 G HA2 0.549 4.510 3.960 0.001 0.000 0.156 321 G HA3 0.549 4.510 3.960 0.001 0.000 0.156 321 G C 1.063 175.548 174.900 -0.692 0.000 1.375 321 G CA 0.105 45.013 45.100 -0.320 0.000 1.039 321 G HN 0.170 nan 8.290 nan 0.000 0.586 322 A N -0.763 121.280 122.820 -1.294 0.000 1.969 322 A HA 0.058 4.379 4.320 0.001 0.000 0.218 322 A C 1.384 178.772 177.584 -0.327 0.000 1.169 322 A CA 0.961 52.457 52.037 -0.902 0.000 0.635 322 A CB -0.364 17.976 19.000 -1.101 0.000 0.810 322 A HN 0.403 nan 8.150 nan 0.000 0.445 323 N N 0.247 118.763 118.700 -0.307 0.000 2.462 323 N HA 0.225 4.966 4.740 0.001 0.000 0.242 323 N C -2.124 173.272 175.510 -0.190 0.000 1.010 323 N CA -1.874 51.049 53.050 -0.211 0.000 0.939 323 N CB 1.515 39.866 38.487 -0.226 0.000 1.127 323 N HN 0.067 nan 8.380 nan 0.000 0.509 324 P HA 0.014 nan 4.420 nan 0.000 0.233 324 P C 0.077 177.309 177.300 -0.113 0.000 1.167 324 P CA 0.720 63.770 63.100 -0.085 0.000 0.770 324 P CB 0.496 32.174 31.700 -0.036 0.000 0.837 325 N N -0.270 118.345 118.700 -0.141 0.000 2.322 325 N HA 0.129 4.869 4.740 0.001 0.000 0.194 325 N C 0.487 175.853 175.510 -0.239 0.000 1.126 325 N CA 0.328 53.289 53.050 -0.147 0.000 0.845 325 N CB 0.425 38.852 38.487 -0.100 0.000 0.976 325 N HN 0.292 nan 8.380 nan 0.000 0.475 326 L N -0.664 120.315 121.223 -0.406 0.000 2.323 326 L HA 0.760 5.101 4.340 0.001 0.000 0.265 326 L C 0.246 176.693 176.870 -0.705 0.000 1.012 326 L CA -0.916 53.495 54.840 -0.714 0.000 0.820 326 L CB 2.254 43.540 42.059 -1.289 0.000 1.334 326 L HN 0.022 nan 8.230 nan 0.000 0.427 327 G N 0.680 109.181 108.800 -0.498 0.000 2.760 327 G HA2 0.267 4.228 3.960 0.001 0.000 0.540 327 G HA3 0.267 4.228 3.960 0.001 0.000 0.540 327 G C -1.270 173.657 174.900 0.045 0.000 1.476 327 G CA -0.122 44.967 45.100 -0.018 0.000 0.949 327 G HN 0.753 nan 8.290 nan 0.000 0.633 328 S N 3.126 118.914 115.700 0.147 0.000 2.588 328 S HA 0.887 5.357 4.470 0.001 0.000 0.275 328 S C -1.832 172.804 174.600 0.061 0.000 1.130 328 S CA -0.753 57.492 58.200 0.075 0.000 0.855 328 S CB 2.551 65.793 63.200 0.070 0.000 1.116 328 S HN 0.419 nan 8.310 nan 0.000 0.472 329 P HA -0.060 nan 4.420 nan 0.000 0.228 329 P C 0.993 178.295 177.300 0.003 0.000 1.151 329 P CA 0.821 63.923 63.100 0.003 0.000 0.770 329 P CB 0.064 31.762 31.700 -0.004 0.000 0.786 330 Q N -0.026 119.792 119.800 0.029 0.000 2.378 330 Q HA -0.103 4.238 4.340 0.001 0.000 0.205 330 Q C 1.197 177.234 176.000 0.061 0.000 0.954 330 Q CA 0.702 56.528 55.803 0.038 0.000 0.901 330 Q CB -0.196 28.573 28.738 0.051 0.000 0.981 330 Q HN 0.083 nan 8.270 nan 0.000 0.483 331 D N -0.084 120.359 120.400 0.072 0.000 2.149 331 D HA -0.148 4.493 4.640 0.001 0.000 0.198 331 D C 1.646 177.912 176.300 -0.057 0.000 0.990 331 D CA 1.467 55.518 54.000 0.085 0.000 0.839 331 D CB -0.477 40.331 40.800 0.013 0.000 0.948 331 D HN 0.477 nan 8.370 nan 0.000 0.460 332 G N 0.442 109.167 108.800 -0.125 0.000 2.422 332 G HA2 -0.290 3.671 3.960 0.001 0.000 0.218 332 G HA3 -0.290 3.671 3.960 0.001 0.000 0.218 332 G C 1.465 176.334 174.900 -0.052 0.000 1.146 332 G CA 0.792 45.779 45.100 -0.187 0.000 0.769 332 G HN 0.341 nan 8.290 nan 0.000 0.547 333 E N -0.068 120.131 120.200 -0.002 0.000 2.047 333 E HA -0.118 4.233 4.350 0.001 0.000 0.191 333 E C 2.560 179.214 176.600 0.090 0.000 0.987 333 E CA 1.410 57.830 56.400 0.034 0.000 0.799 333 E CB -0.163 29.552 29.700 0.025 0.000 0.752 333 E HN 0.337 nan 8.360 nan 0.000 0.449 334 T N 0.316 114.953 114.554 0.139 0.000 2.665 334 T HA -0.245 4.106 4.350 0.001 0.000 0.268 334 T C 1.492 176.358 174.700 0.277 0.000 1.035 334 T CA 1.714 63.939 62.100 0.208 0.000 1.151 334 T CB -0.628 68.424 68.868 0.306 0.000 0.862 334 T HN 0.349 nan 8.240 nan 0.000 0.438 335 Y N 1.555 121.959 120.300 0.174 0.000 2.097 335 Y HA -0.189 4.361 4.550 0.001 0.000 0.282 335 Y C 2.394 178.320 175.900 0.044 0.000 1.152 335 Y CA 1.073 59.249 58.100 0.127 0.000 1.136 335 Y CB -0.574 37.785 38.460 -0.169 0.000 0.975 335 Y HN -0.022 nan 8.280 nan 0.000 0.498 336 V N 0.310 120.360 119.914 0.226 0.000 2.407 336 V HA -0.315 3.806 4.120 0.001 0.000 0.248 336 V C 2.420 178.543 176.094 0.049 0.000 1.055 336 V CA 1.925 64.299 62.300 0.123 0.000 1.049 336 V CB -0.731 31.138 31.823 0.077 0.000 0.662 336 V HN 0.442 nan 8.190 nan 0.000 0.455 337 L N -0.869 120.389 121.223 0.058 0.000 2.046 337 L HA -0.188 4.153 4.340 0.001 0.000 0.208 337 L C 2.435 179.323 176.870 0.031 0.000 1.077 337 L CA 1.351 56.216 54.840 0.042 0.000 0.747 337 L CB -0.522 41.567 42.059 0.050 0.000 0.896 337 L HN 0.346 nan 8.230 nan 0.000 0.432 338 L N -0.742 120.498 121.223 0.028 0.000 2.017 338 L HA -0.210 4.130 4.340 0.001 0.000 0.208 338 L C 2.506 179.370 176.870 -0.011 0.000 1.073 338 L CA 1.780 56.640 54.840 0.032 0.000 0.745 338 L CB -0.405 41.673 42.059 0.032 0.000 0.894 338 L HN 0.149 nan 8.230 nan 0.000 0.432 339 M N -0.222 119.316 119.600 -0.104 0.000 2.108 339 M HA -0.248 4.232 4.480 0.001 0.000 0.261 339 M C 2.303 178.593 176.300 -0.017 0.000 1.066 339 M CA 1.902 57.150 55.300 -0.086 0.000 1.107 339 M CB -1.293 31.235 32.600 -0.119 0.000 1.356 339 M HN 0.387 nan 8.290 nan 0.000 0.406 340 K N 0.564 120.962 120.400 -0.002 0.000 2.097 340 K HA -0.152 4.169 4.320 0.001 0.000 0.205 340 K C 1.719 178.325 176.600 0.010 0.000 1.050 340 K CA 1.436 57.728 56.287 0.009 0.000 0.938 340 K CB 0.072 32.581 32.500 0.015 0.000 0.718 340 K HN 0.351 nan 8.250 nan 0.000 0.442 341 E N 0.591 120.800 120.200 0.015 0.000 2.152 341 E HA -0.101 4.249 4.350 0.001 0.000 0.192 341 E C 2.024 178.628 176.600 0.007 0.000 0.983 341 E CA 0.812 57.222 56.400 0.016 0.000 0.818 341 E CB 0.044 29.762 29.700 0.030 0.000 0.758 341 E HN 0.266 nan 8.360 nan 0.000 0.467 342 L N 0.560 121.790 121.223 0.011 0.000 2.017 342 L HA -0.171 4.170 4.340 0.001 0.000 0.208 342 L C 2.666 179.530 176.870 -0.011 0.000 1.073 342 L CA 0.811 55.648 54.840 -0.005 0.000 0.745 342 L CB -0.334 41.735 42.059 0.017 0.000 0.894 342 L HN 0.074 nan 8.230 nan 0.000 0.432 343 R N 0.397 120.898 120.500 0.002 0.000 2.094 343 R HA -0.188 4.153 4.340 0.001 0.000 0.239 343 R C 2.242 178.543 176.300 0.002 0.000 1.137 343 R CA 1.955 58.059 56.100 0.007 0.000 0.943 343 R CB -0.802 29.504 30.300 0.010 0.000 0.850 343 R HN 0.394 nan 8.270 nan 0.000 0.433 344 A N 0.979 123.799 122.820 0.000 0.000 1.902 344 A HA -0.171 4.149 4.320 0.001 0.000 0.217 344 A C 2.213 179.790 177.584 -0.013 0.000 1.181 344 A CA 1.736 53.773 52.037 -0.001 0.000 0.623 344 A CB -0.549 18.451 19.000 0.001 0.000 0.818 344 A HN 0.343 nan 8.150 nan 0.000 0.443 345 M N -0.047 119.537 119.600 -0.026 0.000 2.117 345 M HA -0.073 4.407 4.480 0.001 0.000 0.262 345 M C 1.884 178.138 176.300 -0.077 0.000 1.065 345 M CA 1.720 56.989 55.300 -0.052 0.000 1.114 345 M CB -0.950 31.610 32.600 -0.067 0.000 1.361 345 M HN 0.424 nan 8.290 nan 0.000 0.408 346 L N 0.008 121.189 121.223 -0.069 0.000 2.093 346 L HA -0.224 4.116 4.340 0.001 0.000 0.208 346 L C 2.089 178.958 176.870 -0.001 0.000 1.085 346 L CA 1.070 55.859 54.840 -0.084 0.000 0.755 346 L CB -0.931 41.118 42.059 -0.016 0.000 0.904 346 L HN 0.240 nan 8.230 nan 0.000 0.435 347 D N -0.292 120.119 120.400 0.019 0.000 2.097 347 D HA -0.237 4.403 4.640 0.001 0.000 0.195 347 D C 2.109 178.430 176.300 0.036 0.000 0.989 347 D CA 1.222 55.247 54.000 0.041 0.000 0.827 347 D CB -0.087 40.729 40.800 0.027 0.000 0.966 347 D HN 0.216 nan 8.370 nan 0.000 0.456 348 Q N 0.474 120.279 119.800 0.008 0.000 2.050 348 Q HA -0.121 4.220 4.340 0.001 0.000 0.202 348 Q C 2.064 178.068 176.000 0.006 0.000 0.980 348 Q CA 0.943 56.748 55.803 0.004 0.000 0.840 348 Q CB -0.636 28.095 28.738 -0.012 0.000 0.898 348 Q HN 0.209 nan 8.270 nan 0.000 0.424 349 L N 0.083 121.285 121.223 -0.034 0.000 2.042 349 L HA -0.142 4.199 4.340 0.001 0.000 0.210 349 L C 2.373 179.322 176.870 0.131 0.000 1.076 349 L CA 2.303 57.111 54.840 -0.052 0.000 0.749 349 L CB -1.229 40.645 42.059 -0.309 0.000 0.893 349 L HN 0.349 nan 8.230 nan 0.000 0.432 350 S N -1.170 114.655 115.700 0.208 0.000 2.368 350 S HA -0.167 4.303 4.470 0.001 0.000 0.225 350 S C 2.105 176.793 174.600 0.147 0.000 1.030 350 S CA 1.198 59.573 58.200 0.290 0.000 0.999 350 S CB -0.350 62.995 63.200 0.241 0.000 0.844 350 S HN 0.626 nan 8.310 nan 0.000 0.459 351 A N 0.782 123.658 122.820 0.094 0.000 1.969 351 A HA -0.012 4.308 4.320 0.001 0.000 0.218 351 A C 1.882 179.501 177.584 0.057 0.000 1.169 351 A CA 1.446 53.519 52.037 0.061 0.000 0.635 351 A CB -0.534 18.491 19.000 0.041 0.000 0.810 351 A HN 0.691 nan 8.150 nan 0.000 0.445 352 E N -0.674 119.563 120.200 0.062 0.000 2.208 352 E HA -0.093 4.257 4.350 0.001 0.000 0.193 352 E C 1.835 178.475 176.600 0.066 0.000 0.988 352 E CA 1.457 57.888 56.400 0.051 0.000 0.828 352 E CB -0.074 29.649 29.700 0.037 0.000 0.763 352 E HN 0.822 nan 8.360 nan 0.000 0.478 353 T N -4.458 110.157 114.554 0.102 0.000 2.971 353 T HA 0.297 4.647 4.350 0.001 0.000 0.252 353 T C 1.595 176.332 174.700 0.062 0.000 1.022 353 T CA 0.276 62.435 62.100 0.098 0.000 0.980 353 T CB 0.835 69.808 68.868 0.174 0.000 1.044 353 T HN 0.204 nan 8.240 nan 0.000 0.501 354 G N 2.068 110.902 108.800 0.057 0.000 2.168 354 G HA2 -0.272 3.688 3.960 0.001 0.000 0.263 354 G HA3 -0.272 3.688 3.960 0.001 0.000 0.263 354 G C 0.101 174.995 174.900 -0.010 0.000 0.977 354 G CA 0.176 45.291 45.100 0.025 0.000 0.659 354 G HN 0.730 nan 8.290 nan 0.000 0.533 355 R N -0.112 120.366 120.500 -0.037 0.000 2.573 355 R HA 0.622 4.963 4.340 0.001 0.000 0.272 355 R C 0.297 176.477 176.300 -0.198 0.000 1.009 355 R CA -0.793 55.195 56.100 -0.188 0.000 1.059 355 R CB 1.112 31.170 30.300 -0.404 0.000 1.112 355 R HN 0.117 nan 8.270 nan 0.000 0.517 356 K N 2.311 122.582 120.400 -0.214 0.000 2.201 356 K HA 0.180 4.500 4.320 0.001 0.000 0.278 356 K C -1.357 175.120 176.600 -0.205 0.000 1.027 356 K CA -0.180 56.042 56.287 -0.109 0.000 0.909 356 K CB 0.706 33.178 32.500 -0.046 0.000 1.062 356 K HN 0.467 nan 8.250 nan 0.000 0.465 357 Y N 1.615 121.941 120.300 0.042 0.000 2.429 357 Y HA 0.285 4.835 4.550 0.001 0.000 0.342 357 Y C 0.077 176.014 175.900 0.062 0.000 1.004 357 Y CA -0.590 57.542 58.100 0.054 0.000 1.075 357 Y CB 1.965 40.452 38.460 0.044 0.000 1.214 357 Y HN 0.556 nan 8.280 nan 0.000 0.455 358 E N 2.249 122.608 120.200 0.265 0.000 2.207 358 E HA 0.498 4.848 4.350 0.001 0.000 0.270 358 E C -1.711 174.996 176.600 0.178 0.000 0.927 358 E CA -1.169 55.351 56.400 0.200 0.000 0.799 358 E CB 2.504 32.354 29.700 0.249 0.000 1.172 358 E HN 0.317 nan 8.360 nan 0.000 0.404 359 L N 2.311 123.603 121.223 0.114 0.000 2.343 359 L HA 0.432 4.773 4.340 0.001 0.000 0.278 359 L C -0.674 176.241 176.870 0.075 0.000 0.996 359 L CA -0.008 54.887 54.840 0.092 0.000 0.831 359 L CB 1.370 43.459 42.059 0.050 0.000 1.232 359 L HN 0.679 nan 8.230 nan 0.000 0.413 360 T N 0.755 115.386 114.554 0.127 0.000 2.864 360 T HA 0.860 5.211 4.350 0.001 0.000 0.289 360 T C -0.591 174.209 174.700 0.166 0.000 1.082 360 T CA -0.778 61.377 62.100 0.092 0.000 1.009 360 T CB 1.691 70.646 68.868 0.145 0.000 1.234 360 T HN 0.630 nan 8.240 nan 0.000 0.526 361 S N -0.791 115.008 115.700 0.164 0.000 2.533 361 S HA 0.693 5.163 4.470 0.001 0.000 0.271 361 S C -1.189 173.603 174.600 0.320 0.000 1.143 361 S CA -0.481 57.882 58.200 0.271 0.000 0.891 361 S CB 1.115 64.490 63.200 0.292 0.000 1.105 361 S HN 1.311 nan 8.310 nan 0.000 0.468 362 A N 3.813 126.856 122.820 0.371 0.000 2.290 362 A HA 0.829 5.149 4.320 0.001 0.000 0.310 362 A C -0.145 177.597 177.584 0.264 0.000 1.202 362 A CA -0.693 51.547 52.037 0.340 0.000 0.837 362 A CB -0.034 19.203 19.000 0.395 0.000 1.139 362 A HN 1.170 nan 8.150 nan 0.000 0.509 363 I N -0.239 120.450 120.570 0.198 0.000 2.969 363 I HA 0.682 4.852 4.170 0.001 0.000 0.307 363 I C -0.039 176.147 176.117 0.115 0.000 1.149 363 I CA -0.703 60.689 61.300 0.154 0.000 1.008 363 I CB 2.087 40.080 38.000 -0.012 0.000 1.232 363 I HN 0.479 nan 8.210 nan 0.000 0.435 364 S N 2.638 118.395 115.700 0.096 0.000 2.560 364 S HA 0.394 4.865 4.470 0.001 0.000 0.284 364 S C 1.038 175.553 174.600 -0.142 0.000 1.327 364 S CA 0.279 58.392 58.200 -0.145 0.000 1.055 364 S CB 1.086 63.899 63.200 -0.645 0.000 0.868 364 S HN 0.896 nan 8.310 nan 0.000 0.506 365 A N 4.219 126.970 122.820 -0.115 0.000 2.218 365 A HA 0.384 4.705 4.320 0.001 0.000 0.209 365 A C 1.165 178.718 177.584 -0.051 0.000 1.168 365 A CA 0.384 52.410 52.037 -0.017 0.000 0.804 365 A CB -0.671 18.418 19.000 0.150 0.000 0.834 365 A HN 0.978 nan 8.150 nan 0.000 0.482 366 G N -0.333 108.352 108.800 -0.192 0.000 2.378 366 G HA2 0.285 4.245 3.960 0.001 0.000 0.255 366 G HA3 0.285 4.245 3.960 0.001 0.000 0.255 366 G C 0.709 175.563 174.900 -0.076 0.000 1.270 366 G CA -0.117 44.876 45.100 -0.180 0.000 0.876 366 G HN 0.353 nan 8.290 nan 0.000 0.521 367 K N 1.328 121.731 120.400 0.006 0.000 2.113 367 K HA -0.186 4.134 4.320 0.001 0.000 0.208 367 K C 2.020 178.609 176.600 -0.019 0.000 1.047 367 K CA 2.016 58.299 56.287 -0.006 0.000 0.928 367 K CB 0.000 32.501 32.500 0.001 0.000 0.716 367 K HN 0.716 nan 8.250 nan 0.000 0.446 368 D N 0.513 120.910 120.400 -0.005 0.000 2.144 368 D HA -0.195 4.445 4.640 0.001 0.000 0.199 368 D C 1.367 177.623 176.300 -0.074 0.000 0.984 368 D CA 1.415 55.400 54.000 -0.025 0.000 0.834 368 D CB -0.267 40.536 40.800 0.005 0.000 0.955 368 D HN 0.276 nan 8.370 nan 0.000 0.465 369 K N -0.005 120.316 120.400 -0.132 0.000 2.186 369 K HA 0.171 4.492 4.320 0.001 0.000 0.202 369 K C 2.420 178.948 176.600 -0.120 0.000 1.052 369 K CA 0.208 56.384 56.287 -0.185 0.000 0.965 369 K CB 0.123 32.402 32.500 -0.368 0.000 0.746 369 K HN 0.125 nan 8.250 nan 0.000 0.457 370 I N 1.700 122.233 120.570 -0.063 0.000 2.335 370 I HA -0.258 3.913 4.170 0.001 0.000 0.251 370 I C 1.077 177.220 176.117 0.044 0.000 1.129 370 I CA 1.189 62.525 61.300 0.061 0.000 1.402 370 I CB -0.073 37.942 38.000 0.024 0.000 1.069 370 I HN 0.135 nan 8.210 nan 0.000 0.424 371 D N 0.454 120.835 120.400 -0.031 0.000 2.340 371 D HA -0.036 4.604 4.640 0.001 0.000 0.220 371 D C 1.724 177.963 176.300 -0.102 0.000 1.039 371 D CA 0.480 54.449 54.000 -0.051 0.000 0.866 371 D CB 0.117 40.895 40.800 -0.037 0.000 0.913 371 D HN 0.272 nan 8.370 nan 0.000 0.523 372 K N -0.224 120.090 120.400 -0.143 0.000 2.432 372 K HA 0.064 4.385 4.320 0.001 0.000 0.196 372 K C 0.237 176.659 176.600 -0.297 0.000 1.038 372 K CA 0.363 56.534 56.287 -0.193 0.000 0.986 372 K CB 0.853 33.234 32.500 -0.199 0.000 0.782 372 K HN -0.082 nan 8.250 nan 0.000 0.485 373 V N 0.259 119.929 119.914 -0.406 0.000 2.789 373 V HA 0.396 4.516 4.120 0.001 0.000 0.311 373 V C -0.835 174.937 176.094 -0.536 0.000 1.073 373 V CA -1.358 60.557 62.300 -0.641 0.000 0.921 373 V CB 1.813 32.814 31.823 -1.371 0.000 1.009 373 V HN -0.011 nan 8.190 nan 0.000 0.426 374 A N 2.586 125.181 122.820 -0.376 0.000 2.922 374 A HA 0.429 4.749 4.320 0.001 0.000 0.298 374 A C 0.412 177.882 177.584 -0.190 0.000 1.588 374 A CA -0.138 51.774 52.037 -0.209 0.000 1.288 374 A CB -0.661 18.281 19.000 -0.098 0.000 1.130 374 A HN 0.831 nan 8.150 nan 0.000 0.557 375 Y N 1.492 121.751 120.300 -0.068 0.000 2.315 375 Y HA -0.272 4.278 4.550 0.001 0.000 0.288 375 Y C 2.451 178.346 175.900 -0.008 0.000 1.154 375 Y CA 1.802 59.881 58.100 -0.034 0.000 1.229 375 Y CB -0.273 38.152 38.460 -0.059 0.000 0.980 375 Y HN 0.817 nan 8.280 nan 0.000 0.540 376 N N -0.172 118.598 118.700 0.117 0.000 2.381 376 N HA -0.105 4.636 4.740 0.001 0.000 0.182 376 N C 1.462 177.000 175.510 0.046 0.000 1.025 376 N CA 1.483 54.574 53.050 0.068 0.000 0.888 376 N CB -0.665 37.846 38.487 0.040 0.000 0.965 376 N HN 0.298 nan 8.380 nan 0.000 0.438 377 V N 1.110 121.044 119.914 0.034 0.000 2.426 377 V HA 0.111 4.231 4.120 0.001 0.000 0.242 377 V C 2.800 178.925 176.094 0.052 0.000 1.036 377 V CA 1.283 63.601 62.300 0.029 0.000 1.044 377 V CB -0.863 30.966 31.823 0.010 0.000 0.688 377 V HN 0.412 nan 8.190 nan 0.000 0.462 378 A N 0.972 123.840 122.820 0.080 0.000 2.019 378 A HA -0.280 4.040 4.320 0.001 0.000 0.219 378 A C 2.224 179.881 177.584 0.121 0.000 1.164 378 A CA 1.876 53.990 52.037 0.129 0.000 0.644 378 A CB -0.586 18.569 19.000 0.258 0.000 0.805 378 A HN 0.771 nan 8.150 nan 0.000 0.449 379 Q N -0.184 119.688 119.800 0.119 0.000 2.197 379 Q HA -0.241 4.099 4.340 0.001 0.000 0.207 379 Q C 1.218 177.236 176.000 0.029 0.000 0.984 379 Q CA 1.665 57.510 55.803 0.070 0.000 0.869 379 Q CB -0.640 28.129 28.738 0.051 0.000 0.906 379 Q HN 0.577 nan 8.270 nan 0.000 0.426 380 N N 0.486 119.205 118.700 0.031 0.000 2.364 380 N HA -0.058 4.683 4.740 0.001 0.000 0.183 380 N C 1.125 176.642 175.510 0.011 0.000 1.022 380 N CA 1.351 54.410 53.050 0.015 0.000 0.883 380 N CB 0.003 38.500 38.487 0.016 0.000 0.965 380 N HN 0.307 nan 8.380 nan 0.000 0.438 381 S N -0.060 115.651 115.700 0.019 0.000 2.524 381 S HA 0.236 4.706 4.470 0.001 0.000 0.216 381 S C 0.793 175.394 174.600 0.002 0.000 0.987 381 S CA 0.150 58.357 58.200 0.012 0.000 0.909 381 S CB 0.487 63.696 63.200 0.016 0.000 0.781 381 S HN 0.209 nan 8.310 nan 0.000 0.521 382 M N 0.985 120.581 119.600 -0.007 0.000 2.508 382 M HA 0.361 4.842 4.480 0.001 0.000 0.327 382 M C 0.073 176.304 176.300 -0.116 0.000 1.160 382 M CA -0.485 54.795 55.300 -0.033 0.000 0.980 382 M CB 1.593 34.193 32.600 0.000 0.000 1.693 382 M HN -0.112 nan 8.290 nan 0.000 0.452 383 D N 0.192 120.479 120.400 -0.187 0.000 2.162 383 D HA 0.034 4.675 4.640 0.001 0.000 0.205 383 D C 0.036 175.832 176.300 -0.840 0.000 0.964 383 D CA 1.275 55.005 54.000 -0.450 0.000 0.847 383 D CB 0.477 41.034 40.800 -0.406 0.000 0.988 383 D HN 0.506 nan 8.370 nan 0.000 0.480 384 H N -0.805 118.127 119.070 -0.229 0.000 2.961 384 H HA 0.432 4.989 4.556 0.001 0.000 0.371 384 H C -0.515 174.527 175.328 -0.477 0.000 1.190 384 H CA -0.572 55.224 56.048 -0.421 0.000 1.138 384 H CB 2.063 31.371 29.762 -0.756 0.000 1.816 384 H HN -0.155 nan 8.280 nan 0.000 0.551 385 I N 2.298 122.690 120.570 -0.298 0.000 2.339 385 I HA 0.139 4.310 4.170 0.001 0.000 0.290 385 I C -0.650 175.276 176.117 -0.319 0.000 0.994 385 I CA -0.564 60.585 61.300 -0.251 0.000 1.191 385 I CB 0.754 38.653 38.000 -0.168 0.000 1.343 385 I HN 0.235 nan 8.210 nan 0.000 0.458 386 F N 6.891 126.770 119.950 -0.119 0.000 2.335 386 F HA 0.265 4.793 4.527 0.001 0.000 0.365 386 F C 0.088 175.843 175.800 -0.074 0.000 1.122 386 F CA -0.649 57.132 58.000 -0.364 0.000 1.151 386 F CB 0.833 39.356 39.000 -0.794 0.000 1.282 386 F HN 0.274 nan 8.300 nan 0.000 0.513 387 L N 5.370 126.804 121.223 0.351 0.000 2.325 387 L HA 0.308 4.649 4.340 0.001 0.000 0.284 387 L C 0.279 177.330 176.870 0.302 0.000 1.089 387 L CA 0.085 55.073 54.840 0.247 0.000 0.836 387 L CB 0.310 42.469 42.059 0.167 0.000 1.184 387 L HN 0.532 nan 8.230 nan 0.000 0.444 388 M N 4.544 124.197 119.600 0.088 0.000 3.593 388 M HA 0.035 4.516 4.480 0.001 0.000 0.204 388 M C 0.748 176.588 176.300 -0.766 0.000 1.569 388 M CA 0.156 55.204 55.300 -0.419 0.000 1.694 388 M CB -0.691 31.717 32.600 -0.320 0.000 1.149 388 M HN 0.767 nan 8.290 nan 0.000 0.552 389 S N 1.183 116.567 115.700 -0.527 0.000 3.864 389 S HA 0.239 4.709 4.470 0.001 0.000 0.202 389 S C -0.530 173.597 174.600 -0.788 0.000 1.402 389 S CA -0.487 57.485 58.200 -0.380 0.000 1.072 389 S CB -1.062 62.174 63.200 0.060 0.000 1.383 389 S HN 0.572 nan 8.310 nan 0.000 0.458 390 Y N -3.096 116.721 120.300 -0.806 0.000 2.744 390 Y HA 0.593 5.144 4.550 0.001 0.000 0.330 390 Y C -0.199 175.372 175.900 -0.549 0.000 1.263 390 Y CA -1.643 56.038 58.100 -0.699 0.000 1.065 390 Y CB -0.155 38.128 38.460 -0.295 0.000 1.306 390 Y HN 0.123 nan 8.280 nan 0.000 0.459 391 D N -0.564 119.875 120.400 0.065 0.000 3.012 391 D HA -0.198 4.443 4.640 0.001 0.000 0.222 391 D C 0.518 176.978 176.300 0.267 0.000 1.167 391 D CA 1.143 55.265 54.000 0.203 0.000 0.854 391 D CB -1.380 39.504 40.800 0.140 0.000 1.107 391 D HN 0.495 nan 8.370 nan 0.000 0.421 392 F N -0.572 119.542 119.950 0.273 0.000 2.216 392 F HA -0.000 4.527 4.527 0.001 0.000 0.300 392 F C 1.021 176.981 175.800 0.268 0.000 1.085 392 F CA 0.898 59.047 58.000 0.247 0.000 1.326 392 F CB -0.271 38.952 39.000 0.372 0.000 1.027 392 F HN 0.085 nan 8.300 nan 0.000 0.497 393 Y N -1.890 118.765 120.300 0.590 0.000 2.597 393 Y HA 0.622 5.173 4.550 0.001 0.000 0.340 393 Y C 0.399 176.309 175.900 0.016 0.000 1.097 393 Y CA -1.103 57.239 58.100 0.404 0.000 1.037 393 Y CB 1.819 40.554 38.460 0.458 0.000 1.305 393 Y HN -0.111 nan 8.280 nan 0.000 0.463 394 G N -0.435 108.087 108.800 -0.464 0.000 2.342 394 G HA2 0.449 4.409 3.960 0.001 0.000 0.297 394 G HA3 0.449 4.409 3.960 0.001 0.000 0.297 394 G C -0.419 173.873 174.900 -1.013 0.000 1.313 394 G CA -0.221 44.311 45.100 -0.945 0.000 0.830 394 G HN 0.859 nan 8.290 nan 0.000 0.506 395 A N -0.647 121.670 122.820 -0.838 0.000 2.216 395 A HA 0.250 4.571 4.320 0.001 0.000 0.214 395 A C 1.865 179.379 177.584 -0.117 0.000 1.160 395 A CA 1.960 53.737 52.037 -0.433 0.000 0.725 395 A CB -0.935 17.892 19.000 -0.288 0.000 0.784 395 A HN 1.290 nan 8.150 nan 0.000 0.472 396 F N -0.854 119.147 119.950 0.086 0.000 2.546 396 F HA 0.193 4.721 4.527 0.001 0.000 0.298 396 F C 0.327 176.227 175.800 0.168 0.000 1.120 396 F CA 0.045 58.109 58.000 0.106 0.000 1.456 396 F CB -0.278 38.760 39.000 0.064 0.000 1.088 396 F HN 0.164 nan 8.300 nan 0.000 0.572 397 D N 0.631 121.064 120.400 0.054 0.000 2.479 397 D HA 0.243 4.884 4.640 0.001 0.000 0.246 397 D C 0.217 176.680 176.300 0.271 0.000 1.336 397 D CA -0.381 53.739 54.000 0.200 0.000 0.967 397 D CB 0.906 41.854 40.800 0.248 0.000 1.275 397 D HN 0.176 nan 8.370 nan 0.000 0.577 398 L N 2.242 123.592 121.223 0.212 0.000 2.554 398 L HA 0.073 4.413 4.340 0.001 0.000 0.226 398 L C 2.153 179.023 176.870 0.000 0.000 1.137 398 L CA 0.149 55.087 54.840 0.163 0.000 0.863 398 L CB -0.076 42.069 42.059 0.144 0.000 0.985 398 L HN 0.203 nan 8.230 nan 0.000 0.451 399 K N -0.575 119.844 120.400 0.031 0.000 2.306 399 K HA 0.171 4.491 4.320 0.001 0.000 0.200 399 K C 0.639 177.229 176.600 -0.016 0.000 1.083 399 K CA 0.126 56.409 56.287 -0.007 0.000 0.959 399 K CB 0.193 32.711 32.500 0.029 0.000 0.994 399 K HN 0.320 nan 8.250 nan 0.000 0.492 400 N N 2.144 120.883 118.700 0.066 0.000 2.527 400 N HA 0.314 5.055 4.740 0.001 0.000 0.236 400 N C -0.807 174.818 175.510 0.191 0.000 0.999 400 N CA -0.153 52.973 53.050 0.126 0.000 0.935 400 N CB 1.182 39.796 38.487 0.211 0.000 1.132 400 N HN 0.255 nan 8.380 nan 0.000 0.511 401 L N 1.104 122.274 121.223 -0.090 0.000 2.357 401 L HA 0.760 5.100 4.340 0.001 0.000 0.273 401 L C 1.056 177.740 176.870 -0.310 0.000 1.080 401 L CA -0.607 54.042 54.840 -0.318 0.000 0.803 401 L CB 1.433 43.016 42.059 -0.793 0.000 1.174 401 L HN 0.487 nan 8.230 nan 0.000 0.443 402 G N -0.403 108.130 108.800 -0.444 0.000 2.488 402 G HA2 0.275 4.236 3.960 0.001 0.000 0.301 402 G HA3 0.275 4.236 3.960 0.001 0.000 0.301 402 G C -1.522 172.947 174.900 -0.719 0.000 1.339 402 G CA -0.737 43.626 45.100 -1.229 0.000 0.803 402 G HN 0.471 nan 8.290 nan 0.000 0.482 403 H N 0.880 119.589 119.070 -0.602 0.000 2.767 403 H HA 0.123 4.680 4.556 0.001 0.000 0.316 403 H C 1.376 176.858 175.328 0.257 0.000 1.059 403 H CA 0.603 56.544 56.048 -0.178 0.000 1.461 403 H CB 1.887 31.499 29.762 -0.250 0.000 1.475 403 H HN 0.730 nan 8.280 nan 0.000 0.531 404 Q N 1.610 121.659 119.800 0.415 0.000 2.369 404 Q HA -0.061 4.280 4.340 0.001 0.000 0.206 404 Q C 0.933 177.051 176.000 0.196 0.000 0.963 404 Q CA 1.554 57.603 55.803 0.409 0.000 0.894 404 Q CB 0.554 29.450 28.738 0.264 0.000 0.965 404 Q HN 0.508 nan 8.270 nan 0.000 0.475 405 T N -1.162 113.509 114.554 0.196 0.000 3.684 405 T HA 0.489 4.839 4.350 0.001 0.000 0.317 405 T C -0.279 174.504 174.700 0.139 0.000 0.922 405 T CA 0.083 62.178 62.100 -0.009 0.000 0.999 405 T CB -0.072 68.744 68.868 -0.086 0.000 1.204 405 T HN 0.449 nan 8.240 nan 0.000 0.534 406 A N 1.075 124.036 122.820 0.235 0.000 2.507 406 A HA 0.500 4.820 4.320 0.001 0.000 0.235 406 A C 1.450 179.064 177.584 0.049 0.000 1.070 406 A CA -0.155 51.901 52.037 0.032 0.000 0.768 406 A CB 0.021 18.970 19.000 -0.086 0.000 1.011 406 A HN 0.471 nan 8.150 nan 0.000 0.502 407 L N 1.351 122.517 121.223 -0.094 0.000 2.056 407 L HA -0.012 4.328 4.340 0.001 0.000 0.207 407 L C 0.715 177.464 176.870 -0.202 0.000 1.078 407 L CA 1.727 56.465 54.840 -0.169 0.000 0.749 407 L CB -0.412 41.512 42.059 -0.225 0.000 0.901 407 L HN 0.802 nan 8.230 nan 0.000 0.433 408 N N -1.725 116.857 118.700 -0.196 0.000 2.629 408 N HA 0.473 5.214 4.740 0.001 0.000 0.279 408 N C -0.839 174.542 175.510 -0.216 0.000 1.344 408 N CA -0.091 52.839 53.050 -0.201 0.000 0.789 408 N CB 1.150 39.523 38.487 -0.190 0.000 1.508 408 N HN 0.060 nan 8.380 nan 0.000 0.516 409 A N 1.166 123.851 122.820 -0.224 0.000 2.425 409 A HA 0.403 4.723 4.320 0.001 0.000 0.242 409 A C -2.044 175.316 177.584 -0.374 0.000 1.077 409 A CA -0.661 51.203 52.037 -0.288 0.000 0.781 409 A CB -0.471 18.371 19.000 -0.263 0.000 1.020 409 A HN 0.409 nan 8.150 nan 0.000 0.494 410 P HA 0.269 nan 4.420 nan 0.000 0.276 410 P C 0.624 177.533 177.300 -0.651 0.000 1.261 410 P CA 0.343 62.953 63.100 -0.818 0.000 0.800 410 P CB 1.020 31.640 31.700 -1.799 0.000 1.066 411 A N 0.844 123.423 122.820 -0.400 0.000 1.969 411 A HA -0.142 4.178 4.320 0.001 0.000 0.218 411 A C 1.759 179.317 177.584 -0.044 0.000 1.169 411 A CA 1.418 53.379 52.037 -0.128 0.000 0.635 411 A CB -1.692 17.326 19.000 0.030 0.000 0.810 411 A HN 0.815 nan 8.150 nan 0.000 0.445 412 W N -1.001 120.266 121.300 -0.055 0.000 3.077 412 W HA 0.375 5.035 4.660 0.001 0.000 0.245 412 W C 0.458 176.932 176.519 -0.074 0.000 1.316 412 W CA 0.609 57.918 57.345 -0.060 0.000 1.537 412 W CB 0.061 29.481 29.460 -0.067 0.000 1.131 412 W HN 0.132 nan 8.180 nan 0.000 0.695 413 K N 0.984 121.164 120.400 -0.366 0.000 3.218 413 K HA 0.145 4.466 4.320 0.001 0.000 0.187 413 K C -2.261 174.176 176.600 -0.272 0.000 1.186 413 K CA -0.928 55.213 56.287 -0.245 0.000 0.827 413 K CB 0.693 33.053 32.500 -0.233 0.000 1.083 413 K HN -0.321 nan 8.250 nan 0.000 0.583 414 P HA -0.125 nan 4.420 nan 0.000 0.228 414 P C 0.234 177.444 177.300 -0.149 0.000 1.151 414 P CA 0.970 63.964 63.100 -0.177 0.000 0.770 414 P CB 0.111 31.740 31.700 -0.118 0.000 0.786 415 D N -2.069 118.252 120.400 -0.132 0.000 2.388 415 D HA -0.004 4.636 4.640 0.001 0.000 0.221 415 D C -0.245 175.974 176.300 -0.135 0.000 1.133 415 D CA -0.158 53.773 54.000 -0.115 0.000 0.831 415 D CB -1.180 39.569 40.800 -0.085 0.000 0.962 415 D HN -0.113 nan 8.370 nan 0.000 0.502 416 T N 0.870 115.327 114.554 -0.162 0.000 2.819 416 T HA 0.198 4.549 4.350 0.001 0.000 0.282 416 T C 1.484 176.070 174.700 -0.189 0.000 1.013 416 T CA 0.499 62.506 62.100 -0.155 0.000 1.159 416 T CB 1.248 70.016 68.868 -0.167 0.000 1.007 416 T HN 0.314 nan 8.240 nan 0.000 0.514 417 A N 4.015 126.676 122.820 -0.265 0.000 1.841 417 A HA -0.015 4.306 4.320 0.001 0.000 0.214 417 A C 0.405 177.805 177.584 -0.306 0.000 1.195 417 A CA 1.100 52.920 52.037 -0.363 0.000 0.611 417 A CB -0.383 18.223 19.000 -0.657 0.000 0.835 417 A HN 0.772 nan 8.150 nan 0.000 0.443 418 Y N 1.276 121.387 120.300 -0.314 0.000 2.518 418 Y HA 0.483 5.033 4.550 0.001 0.000 0.344 418 Y C 0.684 175.911 175.900 -1.122 0.000 0.982 418 Y CA -0.674 57.004 58.100 -0.704 0.000 1.234 418 Y CB 0.021 38.088 38.460 -0.656 0.000 1.114 418 Y HN 0.313 nan 8.280 nan 0.000 0.515 419 T N -2.554 111.497 114.554 -0.838 0.000 2.896 419 T HA 0.304 4.654 4.350 0.001 0.000 0.297 419 T C 0.946 175.435 174.700 -0.351 0.000 1.108 419 T CA -0.689 61.040 62.100 -0.618 0.000 1.004 419 T CB 1.641 70.346 68.868 -0.271 0.000 1.159 419 T HN 0.312 nan 8.240 nan 0.000 0.499 420 T N 1.101 115.701 114.554 0.076 0.000 2.635 420 T HA -0.132 4.219 4.350 0.001 0.000 0.267 420 T C 2.056 176.768 174.700 0.020 0.000 1.040 420 T CA 1.703 63.907 62.100 0.172 0.000 1.156 420 T CB -0.449 68.478 68.868 0.097 0.000 0.863 420 T HN 0.493 nan 8.240 nan 0.000 0.430 421 V N 2.328 122.178 119.914 -0.106 0.000 2.392 421 V HA -0.188 3.932 4.120 0.001 0.000 0.249 421 V C 2.423 178.510 176.094 -0.012 0.000 1.059 421 V CA 1.565 63.817 62.300 -0.080 0.000 1.051 421 V CB -0.629 31.086 31.823 -0.179 0.000 0.658 421 V HN 0.447 nan 8.190 nan 0.000 0.455 422 N N 0.716 119.377 118.700 -0.065 0.000 2.188 422 N HA -0.099 4.642 4.740 0.001 0.000 0.184 422 N C 1.899 177.397 175.510 -0.021 0.000 1.018 422 N CA 1.497 54.515 53.050 -0.054 0.000 0.858 422 N CB -0.754 37.676 38.487 -0.095 0.000 0.989 422 N HN 0.502 nan 8.380 nan 0.000 0.426 423 G N 0.782 109.576 108.800 -0.011 0.000 2.459 423 G HA2 -0.209 3.751 3.960 0.001 0.000 0.217 423 G HA3 -0.209 3.751 3.960 0.001 0.000 0.217 423 G C 1.695 176.610 174.900 0.025 0.000 1.183 423 G CA 1.011 46.119 45.100 0.015 0.000 0.776 423 G HN 0.207 nan 8.290 nan 0.000 0.552 424 V N 1.455 121.412 119.914 0.072 0.000 2.358 424 V HA -0.166 3.955 4.120 0.001 0.000 0.246 424 V C 2.671 178.802 176.094 0.062 0.000 1.047 424 V CA 1.860 64.217 62.300 0.095 0.000 1.035 424 V CB -0.517 31.439 31.823 0.221 0.000 0.658 424 V HN 0.299 nan 8.190 nan 0.000 0.452 425 N N 0.739 119.477 118.700 0.064 0.000 2.149 425 N HA -0.127 4.613 4.740 0.001 0.000 0.188 425 N C 1.840 177.360 175.510 0.017 0.000 1.019 425 N CA 1.632 54.705 53.050 0.039 0.000 0.857 425 N CB -0.524 37.981 38.487 0.030 0.000 0.997 425 N HN 0.500 nan 8.380 nan 0.000 0.426 426 A N 0.868 123.693 122.820 0.008 0.000 1.933 426 A HA -0.032 4.289 4.320 0.001 0.000 0.218 426 A C 2.341 179.930 177.584 0.009 0.000 1.175 426 A CA 0.847 52.886 52.037 0.003 0.000 0.628 426 A CB -0.591 18.407 19.000 -0.004 0.000 0.814 426 A HN 0.211 nan 8.150 nan 0.000 0.444 427 L N -0.783 120.438 121.223 -0.004 0.000 2.072 427 L HA -0.125 4.216 4.340 0.001 0.000 0.205 427 L C 2.554 179.430 176.870 0.009 0.000 1.079 427 L CA 0.868 55.703 54.840 -0.007 0.000 0.752 427 L CB -0.526 41.494 42.059 -0.064 0.000 0.906 427 L HN 0.353 nan 8.230 nan 0.000 0.436 428 L N -0.717 120.510 121.223 0.006 0.000 2.017 428 L HA -0.203 4.138 4.340 0.001 0.000 0.208 428 L C 2.648 179.523 176.870 0.008 0.000 1.073 428 L CA 1.561 56.405 54.840 0.005 0.000 0.745 428 L CB -0.886 41.176 42.059 0.006 0.000 0.894 428 L HN 0.271 nan 8.230 nan 0.000 0.432 429 T N -0.833 113.726 114.554 0.009 0.000 2.759 429 T HA -0.252 4.099 4.350 0.001 0.000 0.269 429 T C 1.802 176.508 174.700 0.010 0.000 1.042 429 T CA 1.274 63.378 62.100 0.007 0.000 1.140 429 T CB -0.211 68.659 68.868 0.004 0.000 0.864 429 T HN 0.415 nan 8.240 nan 0.000 0.455 430 Q N 0.005 119.817 119.800 0.020 0.000 2.364 430 Q HA 0.115 4.456 4.340 0.001 0.000 0.207 430 Q C 1.727 177.740 176.000 0.022 0.000 0.970 430 Q CA 0.734 56.552 55.803 0.025 0.000 0.888 430 Q CB 0.010 28.778 28.738 0.051 0.000 0.951 430 Q HN 0.662 nan 8.270 nan 0.000 0.469 431 G N 0.176 108.987 108.800 0.019 0.000 2.148 431 G HA2 -0.210 3.750 3.960 0.001 0.000 0.203 431 G HA3 -0.210 3.750 3.960 0.001 0.000 0.203 431 G C 0.083 174.995 174.900 0.020 0.000 0.993 431 G CA -0.141 44.968 45.100 0.015 0.000 0.661 431 G HN 0.167 nan 8.290 nan 0.000 0.518 432 V N 1.174 121.103 119.914 0.025 0.000 2.740 432 V HA 0.213 4.334 4.120 0.001 0.000 0.303 432 V C 1.151 177.247 176.094 0.003 0.000 1.054 432 V CA 0.305 62.618 62.300 0.021 0.000 1.106 432 V CB 1.058 32.888 31.823 0.010 0.000 0.957 432 V HN 0.358 nan 8.190 nan 0.000 0.486 433 K N 6.932 127.331 120.400 -0.001 0.000 2.270 433 K HA 0.221 4.542 4.320 0.001 0.000 0.276 433 K C -1.495 175.095 176.600 -0.016 0.000 1.023 433 K CA -1.349 54.933 56.287 -0.008 0.000 0.955 433 K CB 0.799 33.294 32.500 -0.009 0.000 0.975 433 K HN 0.431 nan 8.250 nan 0.000 0.471 434 P HA -0.118 nan 4.420 nan 0.000 0.223 434 P C 1.044 178.329 177.300 -0.024 0.000 1.151 434 P CA 0.959 64.040 63.100 -0.031 0.000 0.787 434 P CB 0.145 31.816 31.700 -0.048 0.000 0.788 435 G N 0.281 109.073 108.800 -0.014 0.000 2.559 435 G HA2 -0.162 3.799 3.960 0.001 0.000 0.216 435 G HA3 -0.162 3.799 3.960 0.001 0.000 0.216 435 G C 1.598 176.508 174.900 0.016 0.000 1.126 435 G CA 0.329 45.430 45.100 0.002 0.000 0.778 435 G HN 0.156 nan 8.290 nan 0.000 0.543 436 K N 0.054 120.450 120.400 -0.007 0.000 2.305 436 K HA 0.209 4.529 4.320 0.001 0.000 0.199 436 K C 0.859 177.445 176.600 -0.022 0.000 1.047 436 K CA 0.018 56.290 56.287 -0.025 0.000 0.976 436 K CB 0.184 32.656 32.500 -0.046 0.000 0.765 436 K HN 0.334 nan 8.250 nan 0.000 0.474 437 I N 1.918 122.482 120.570 -0.011 0.000 2.315 437 I HA 0.118 4.289 4.170 0.001 0.000 0.291 437 I C -0.393 175.749 176.117 0.042 0.000 1.006 437 I CA -0.824 60.472 61.300 -0.007 0.000 1.265 437 I CB 1.538 39.539 38.000 0.000 0.000 1.387 437 I HN -0.380 nan 8.210 nan 0.000 0.475 438 V N 7.320 127.280 119.914 0.076 0.000 2.378 438 V HA 0.290 4.411 4.120 0.001 0.000 0.288 438 V C 0.221 176.569 176.094 0.422 0.000 1.016 438 V CA -0.745 61.687 62.300 0.220 0.000 0.840 438 V CB 1.730 33.684 31.823 0.218 0.000 0.994 438 V HN 0.401 nan 8.190 nan 0.000 0.431 439 V N 3.882 124.010 119.914 0.356 0.000 2.649 439 V HA 0.576 4.696 4.120 0.001 0.000 0.292 439 V C 1.030 177.279 176.094 0.259 0.000 1.055 439 V CA 0.113 62.601 62.300 0.314 0.000 1.023 439 V CB 1.610 33.581 31.823 0.247 0.000 0.992 439 V HN 0.974 nan 8.190 nan 0.000 0.480 440 G N 2.508 111.360 108.800 0.086 0.000 2.367 440 G HA2 0.631 4.592 3.960 0.001 0.000 0.314 440 G HA3 0.631 4.592 3.960 0.001 0.000 0.314 440 G C -0.202 174.623 174.900 -0.124 0.000 1.130 440 G CA -0.150 44.710 45.100 -0.400 0.000 0.864 440 G HN 0.842 nan 8.290 nan 0.000 0.486 441 T N -1.530 112.914 114.554 -0.183 0.000 2.893 441 T HA 0.733 5.084 4.350 0.001 0.000 0.291 441 T C -0.158 174.441 174.700 -0.168 0.000 1.028 441 T CA -0.535 61.507 62.100 -0.097 0.000 0.995 441 T CB 2.031 70.837 68.868 -0.103 0.000 1.051 441 T HN 1.064 nan 8.240 nan 0.000 0.470 442 A N 3.004 125.684 122.820 -0.234 0.000 2.290 442 A HA 0.662 4.982 4.320 0.001 0.000 0.310 442 A C 0.577 178.010 177.584 -0.252 0.000 1.202 442 A CA -0.958 50.808 52.037 -0.451 0.000 0.837 442 A CB 0.175 18.642 19.000 -0.887 0.000 1.139 442 A HN 0.969 nan 8.150 nan 0.000 0.509 443 M N 2.668 122.236 119.600 -0.054 0.000 2.738 443 M HA 0.255 4.736 4.480 0.001 0.000 0.295 443 M C -1.030 175.436 176.300 0.275 0.000 1.266 443 M CA 0.186 55.522 55.300 0.061 0.000 0.985 443 M CB -0.624 31.987 32.600 0.019 0.000 1.365 443 M HN 0.756 nan 8.290 nan 0.000 0.492 444 Y N -3.502 116.878 120.300 0.133 0.000 2.656 444 Y HA 0.869 5.419 4.550 0.001 0.000 0.334 444 Y C -0.493 175.531 175.900 0.207 0.000 1.179 444 Y CA -1.851 56.349 58.100 0.167 0.000 1.050 444 Y CB 0.347 38.888 38.460 0.136 0.000 1.308 444 Y HN -0.057 nan 8.280 nan 0.000 0.456 445 G N 1.054 110.015 108.800 0.269 0.000 2.489 445 G HA2 0.765 4.725 3.960 0.001 0.000 0.327 445 G HA3 0.765 4.725 3.960 0.001 0.000 0.327 445 G C -1.380 173.666 174.900 0.243 0.000 1.189 445 G CA -1.471 43.767 45.100 0.230 0.000 0.962 445 G HN 0.672 nan 8.290 nan 0.000 0.486 446 R N -0.929 119.654 120.500 0.138 0.000 2.803 446 R HA 0.774 5.115 4.340 0.001 0.000 0.276 446 R C -0.303 175.868 176.300 -0.215 0.000 0.978 446 R CA -0.631 55.454 56.100 -0.026 0.000 0.939 446 R CB 2.498 32.767 30.300 -0.052 0.000 1.179 446 R HN 0.857 nan 8.270 nan 0.000 0.472 447 G N 0.482 109.020 108.800 -0.437 0.000 2.523 447 G HA2 0.421 4.381 3.960 0.001 0.000 0.291 447 G HA3 0.421 4.381 3.960 0.001 0.000 0.291 447 G C -1.878 172.755 174.900 -0.444 0.000 1.450 447 G CA -0.707 44.117 45.100 -0.460 0.000 0.790 447 G HN 0.350 nan 8.290 nan 0.000 0.496 448 W N -0.712 120.605 121.300 0.029 0.000 2.850 448 W HA 0.715 5.375 4.660 0.001 0.000 0.349 448 W C -0.146 176.381 176.519 0.013 0.000 1.133 448 W CA -0.578 56.772 57.345 0.009 0.000 1.117 448 W CB 2.236 31.688 29.460 -0.014 0.000 1.442 448 W HN 0.669 nan 8.180 nan 0.000 0.575 449 T N -1.070 113.635 114.554 0.252 0.000 2.942 449 T HA 0.500 4.850 4.350 0.001 0.000 0.289 449 T C 0.593 175.364 174.700 0.119 0.000 1.044 449 T CA 0.552 62.736 62.100 0.140 0.000 1.023 449 T CB 1.066 69.977 68.868 0.071 0.000 1.123 449 T HN 0.910 nan 8.240 nan 0.000 0.512 450 G N 1.274 110.114 108.800 0.065 0.000 2.198 450 G HA2 -0.194 3.767 3.960 0.001 0.000 0.260 450 G HA3 -0.194 3.767 3.960 0.001 0.000 0.260 450 G C 0.160 175.099 174.900 0.065 0.000 1.025 450 G CA 0.238 45.369 45.100 0.051 0.000 0.769 450 G HN 0.956 nan 8.290 nan 0.000 0.507 451 V N 0.756 120.726 119.914 0.094 0.000 2.599 451 V HA 0.444 4.565 4.120 0.001 0.000 0.300 451 V C 0.579 176.792 176.094 0.199 0.000 1.034 451 V CA 0.795 63.131 62.300 0.059 0.000 1.115 451 V CB 0.725 32.509 31.823 -0.066 0.000 0.934 451 V HN 0.982 nan 8.190 nan 0.000 0.485 452 N N 1.641 120.440 118.700 0.165 0.000 2.823 452 N HA 0.638 5.378 4.740 0.001 0.000 0.251 452 N C 0.061 175.590 175.510 0.031 0.000 1.392 452 N CA -0.301 52.830 53.050 0.134 0.000 0.864 452 N CB 1.737 40.239 38.487 0.026 0.000 1.481 452 N HN 0.936 nan 8.380 nan 0.000 0.508 453 G N -1.045 107.657 108.800 -0.163 0.000 2.149 453 G HA2 -0.237 3.723 3.960 0.001 0.000 0.235 453 G HA3 -0.237 3.723 3.960 0.001 0.000 0.235 453 G C -0.634 174.173 174.900 -0.154 0.000 1.018 453 G CA 0.612 45.611 45.100 -0.168 0.000 0.728 453 G HN 0.934 nan 8.290 nan 0.000 0.508 454 Y N -0.500 119.699 120.300 -0.168 0.000 2.419 454 Y HA 0.830 5.381 4.550 0.001 0.000 0.328 454 Y C 0.323 176.113 175.900 -0.183 0.000 1.162 454 Y CA -1.542 56.423 58.100 -0.225 0.000 1.174 454 Y CB 0.995 39.257 38.460 -0.331 0.000 1.228 454 Y HN 0.263 nan 8.280 nan 0.000 0.473 455 Q N 0.836 120.609 119.800 -0.046 0.000 2.301 455 Q HA 0.342 4.683 4.340 0.001 0.000 0.267 455 Q C -0.585 175.390 176.000 -0.041 0.000 1.035 455 Q CA -1.033 54.726 55.803 -0.074 0.000 0.856 455 Q CB 1.255 29.946 28.738 -0.078 0.000 1.337 455 Q HN 0.924 nan 8.270 nan 0.000 0.450 456 N N 1.464 120.146 118.700 -0.029 0.000 2.725 456 N HA -0.214 4.527 4.740 0.001 0.000 0.249 456 N C -0.645 174.864 175.510 -0.002 0.000 1.103 456 N CA 0.985 54.027 53.050 -0.014 0.000 0.707 456 N CB -1.113 37.361 38.487 -0.022 0.000 1.043 456 N HN 0.846 nan 8.380 nan 0.000 0.553 457 N N -1.540 117.188 118.700 0.047 0.000 2.708 457 N HA -0.219 4.521 4.740 0.001 0.000 0.251 457 N C -0.581 174.874 175.510 -0.093 0.000 1.123 457 N CA 1.245 54.332 53.050 0.062 0.000 0.739 457 N CB -1.184 37.343 38.487 0.067 0.000 1.113 457 N HN 0.599 nan 8.380 nan 0.000 0.561 458 I N 1.112 121.557 120.570 -0.208 0.000 2.371 458 I HA 0.170 4.341 4.170 0.001 0.000 0.282 458 I C -1.381 174.301 176.117 -0.724 0.000 1.031 458 I CA -1.904 59.090 61.300 -0.509 0.000 1.180 458 I CB 1.602 39.151 38.000 -0.751 0.000 1.336 458 I HN -0.252 nan 8.210 nan 0.000 0.467 459 P HA -0.102 nan 4.420 nan 0.000 0.225 459 P C 1.333 177.952 177.300 -1.135 0.000 1.148 459 P CA 1.164 63.332 63.100 -1.553 0.000 0.779 459 P CB 0.050 30.408 31.700 -2.237 0.000 0.780 460 F N 0.770 120.157 119.950 -0.939 0.000 2.451 460 F HA -0.076 4.451 4.527 0.001 0.000 0.299 460 F C 2.156 177.589 175.800 -0.611 0.000 1.101 460 F CA 1.644 59.169 58.000 -0.791 0.000 1.436 460 F CB -1.541 36.990 39.000 -0.781 0.000 1.074 460 F HN 0.015 nan 8.300 nan 0.000 0.553 461 T N -2.933 111.342 114.554 -0.465 0.000 3.129 461 T HA 0.305 4.655 4.350 0.001 0.000 0.251 461 T C 1.354 175.941 174.700 -0.188 0.000 1.117 461 T CA 0.353 62.274 62.100 -0.299 0.000 1.034 461 T CB -0.573 68.106 68.868 -0.314 0.000 0.968 461 T HN 0.157 nan 8.240 nan 0.000 0.526 462 G N 1.425 110.100 108.800 -0.208 0.000 2.531 462 G HA2 0.553 4.514 3.960 0.001 0.000 0.253 462 G HA3 0.553 4.514 3.960 0.001 0.000 0.253 462 G C -0.230 174.561 174.900 -0.181 0.000 1.439 462 G CA 0.008 45.036 45.100 -0.119 0.000 1.056 462 G HN 0.659 nan 8.290 nan 0.000 0.555 463 T N -4.150 110.312 114.554 -0.154 0.000 2.864 463 T HA 0.741 5.091 4.350 0.001 0.000 0.299 463 T C -0.548 174.056 174.700 -0.160 0.000 1.166 463 T CA -0.032 61.967 62.100 -0.169 0.000 1.007 463 T CB 1.718 70.533 68.868 -0.089 0.000 1.219 463 T HN 1.461 nan 8.240 nan 0.000 0.506 464 A N 0.334 123.064 122.820 -0.151 0.000 2.387 464 A HA 0.837 5.158 4.320 0.001 0.000 0.303 464 A C 0.923 178.524 177.584 0.028 0.000 1.145 464 A CA -0.239 51.757 52.037 -0.068 0.000 0.801 464 A CB 1.387 20.325 19.000 -0.103 0.000 1.342 464 A HN 1.480 nan 8.150 nan 0.000 0.440 465 T N -2.860 111.735 114.554 0.067 0.000 3.044 465 T HA 0.546 4.897 4.350 0.001 0.000 0.260 465 T C 0.603 175.357 174.700 0.090 0.000 1.019 465 T CA 0.776 62.915 62.100 0.065 0.000 0.921 465 T CB -0.150 68.745 68.868 0.045 0.000 1.053 465 T HN 2.131 nan 8.240 nan 0.000 0.533 466 G N 1.633 110.514 108.800 0.135 0.000 2.349 466 G HA2 0.523 4.483 3.960 0.001 0.000 0.294 466 G HA3 0.523 4.483 3.960 0.001 0.000 0.294 466 G C -3.492 171.502 174.900 0.156 0.000 1.380 466 G CA -1.007 44.169 45.100 0.127 0.000 0.811 466 G HN 0.015 nan 8.290 nan 0.000 0.519 467 P HA 0.383 nan 4.420 nan 0.000 0.278 467 P C 0.331 177.652 177.300 0.034 0.000 1.238 467 P CA -0.179 62.936 63.100 0.024 0.000 0.794 467 P CB 1.894 33.603 31.700 0.014 0.000 0.955 468 V N 3.247 123.163 119.914 0.003 0.000 2.843 468 V HA 0.009 4.130 4.120 0.001 0.000 0.305 468 V C 0.827 176.928 176.094 0.012 0.000 1.065 468 V CA -0.238 62.073 62.300 0.019 0.000 1.116 468 V CB 0.009 31.834 31.823 0.002 0.000 0.968 468 V HN 0.611 nan 8.190 nan 0.000 0.487 469 K N 4.968 125.382 120.400 0.023 0.000 2.447 469 K HA 0.375 4.696 4.320 0.001 0.000 0.281 469 K C 0.176 176.796 176.600 0.033 0.000 1.031 469 K CA 0.522 56.828 56.287 0.031 0.000 1.019 469 K CB 0.220 32.747 32.500 0.044 0.000 0.918 469 K HN 0.890 nan 8.250 nan 0.000 0.476 470 G N 2.189 111.003 108.800 0.024 0.000 2.521 470 G HA2 0.167 4.127 3.960 0.001 0.000 0.323 470 G HA3 0.167 4.127 3.960 0.001 0.000 0.323 470 G C 0.442 175.314 174.900 -0.047 0.000 1.211 470 G CA -0.616 44.495 45.100 0.018 0.000 0.979 470 G HN 0.698 nan 8.290 nan 0.000 0.490 471 T N -0.484 113.997 114.554 -0.121 0.000 2.732 471 T HA -0.086 4.264 4.350 0.001 0.000 0.261 471 T C 1.539 175.858 174.700 -0.635 0.000 1.040 471 T CA 1.524 63.361 62.100 -0.439 0.000 1.145 471 T CB -0.100 68.423 68.868 -0.575 0.000 0.866 471 T HN 0.650 nan 8.240 nan 0.000 0.427 472 W N 1.699 123.033 121.300 0.056 0.000 2.904 472 W HA 0.327 4.988 4.660 0.001 0.000 0.265 472 W C 0.590 177.141 176.519 0.053 0.000 1.138 472 W CA -0.598 56.783 57.345 0.060 0.000 1.455 472 W CB 0.720 30.225 29.460 0.075 0.000 0.924 472 W HN 0.247 nan 8.180 nan 0.000 0.619 473 E N 0.322 120.653 120.200 0.219 0.000 2.372 473 E HA 0.266 4.617 4.350 0.001 0.000 0.279 473 E C -0.869 175.785 176.600 0.090 0.000 0.946 473 E CA -0.943 55.542 56.400 0.143 0.000 0.769 473 E CB 0.785 30.570 29.700 0.142 0.000 1.230 473 E HN -0.281 nan 8.360 nan 0.000 0.442 474 N N 0.558 119.297 118.700 0.065 0.000 2.508 474 N HA 0.298 5.038 4.740 0.001 0.000 0.264 474 N C 0.964 176.489 175.510 0.025 0.000 1.216 474 N CA 1.421 54.496 53.050 0.042 0.000 0.943 474 N CB 1.156 39.666 38.487 0.038 0.000 1.113 474 N HN 0.964 nan 8.380 nan 0.000 0.447 475 G N 0.030 108.827 108.800 -0.006 0.000 2.176 475 G HA2 -0.253 3.707 3.960 0.001 0.000 0.253 475 G HA3 -0.253 3.707 3.960 0.001 0.000 0.253 475 G C -0.140 174.736 174.900 -0.039 0.000 0.979 475 G CA 0.053 45.111 45.100 -0.070 0.000 0.641 475 G HN 0.508 nan 8.290 nan 0.000 0.530 476 I N 0.002 120.591 120.570 0.033 0.000 2.619 476 I HA 0.642 4.812 4.170 0.001 0.000 0.292 476 I C -0.375 175.813 176.117 0.118 0.000 1.100 476 I CA -1.116 60.244 61.300 0.100 0.000 1.043 476 I CB 2.564 40.627 38.000 0.104 0.000 1.239 476 I HN -0.051 nan 8.210 nan 0.000 0.420 477 V N 3.890 123.900 119.914 0.161 0.000 2.577 477 V HA 0.360 4.481 4.120 0.001 0.000 0.303 477 V C -0.764 175.431 176.094 0.170 0.000 1.042 477 V CA -0.885 61.490 62.300 0.125 0.000 0.872 477 V CB 1.903 33.792 31.823 0.112 0.000 0.998 477 V HN 0.592 nan 8.190 nan 0.000 0.423 478 D N 1.842 122.324 120.400 0.138 0.000 2.506 478 D HA -0.030 4.610 4.640 0.001 0.000 0.234 478 D C 0.719 177.083 176.300 0.108 0.000 1.143 478 D CA 0.339 54.445 54.000 0.177 0.000 0.871 478 D CB 0.590 41.481 40.800 0.152 0.000 1.190 478 D HN 0.647 nan 8.370 nan 0.000 0.459 479 Y N 3.324 123.666 120.300 0.069 0.000 2.114 479 Y HA -0.309 4.241 4.550 0.001 0.000 0.282 479 Y C 2.400 178.272 175.900 -0.047 0.000 1.165 479 Y CA 2.151 60.255 58.100 0.006 0.000 1.148 479 Y CB 0.018 38.510 38.460 0.053 0.000 0.972 479 Y HN 0.424 nan 8.280 nan 0.000 0.504 480 R N -0.228 120.232 120.500 -0.067 0.000 2.140 480 R HA -0.259 4.081 4.340 0.001 0.000 0.250 480 R C 2.025 178.132 176.300 -0.321 0.000 1.150 480 R CA 2.225 58.225 56.100 -0.167 0.000 0.966 480 R CB -0.164 30.127 30.300 -0.016 0.000 0.869 480 R HN 0.428 nan 8.270 nan 0.000 0.445 481 Q N 0.157 119.777 119.800 -0.300 0.000 2.137 481 Q HA -0.024 4.316 4.340 0.001 0.000 0.198 481 Q C 2.248 177.869 176.000 -0.631 0.000 0.960 481 Q CA 0.974 56.519 55.803 -0.430 0.000 0.847 481 Q CB -0.106 28.403 28.738 -0.383 0.000 0.915 481 Q HN 0.481 nan 8.270 nan 0.000 0.448 482 I N 0.836 121.103 120.570 -0.505 0.000 2.194 482 I HA -0.313 3.857 4.170 0.001 0.000 0.246 482 I C 2.221 177.979 176.117 -0.598 0.000 1.093 482 I CA 1.513 62.495 61.300 -0.531 0.000 1.355 482 I CB -0.485 37.099 38.000 -0.694 0.000 1.046 482 I HN 0.071 nan 8.210 nan 0.000 0.413 483 A N -0.606 121.813 122.820 -0.668 0.000 1.930 483 A HA -0.138 4.182 4.320 0.001 0.000 0.215 483 A C 2.475 179.854 177.584 -0.342 0.000 1.176 483 A CA 1.676 53.426 52.037 -0.477 0.000 0.632 483 A CB -0.535 18.145 19.000 -0.535 0.000 0.819 483 A HN 0.350 nan 8.150 nan 0.000 0.445 484 S N -1.180 114.295 115.700 -0.375 0.000 2.368 484 S HA -0.136 4.334 4.470 0.001 0.000 0.224 484 S C 2.019 176.406 174.600 -0.355 0.000 1.029 484 S CA 1.741 59.759 58.200 -0.304 0.000 0.988 484 S CB -0.142 62.884 63.200 -0.289 0.000 0.838 484 S HN 0.674 nan 8.310 nan 0.000 0.462 485 Q N -1.901 117.543 119.800 -0.593 0.000 2.322 485 Q HA 0.237 4.578 4.340 0.001 0.000 0.250 485 Q C -0.053 175.556 176.000 -0.651 0.000 0.853 485 Q CA 0.141 55.536 55.803 -0.680 0.000 0.951 485 Q CB 0.579 28.659 28.738 -1.097 0.000 1.114 485 Q HN 0.519 nan 8.270 nan 0.000 0.523 486 F N -0.262 119.381 119.950 -0.512 0.000 2.708 486 F HA 0.374 4.901 4.527 0.001 0.000 0.300 486 F C 0.425 175.865 175.800 -0.601 0.000 1.118 486 F CA 0.091 57.490 58.000 -1.001 0.000 1.307 486 F CB 0.424 38.499 39.000 -1.541 0.000 0.986 486 F HN -0.086 nan 8.300 nan 0.000 0.522 487 M N 0.606 120.133 119.600 -0.121 0.000 3.101 487 M HA 0.285 4.766 4.480 0.001 0.000 0.307 487 M C -0.235 176.116 176.300 0.085 0.000 1.315 487 M CA -0.096 55.234 55.300 0.050 0.000 0.734 487 M CB 0.474 33.095 32.600 0.034 0.000 1.392 487 M HN 0.094 nan 8.290 nan 0.000 0.496 488 S N -2.072 113.729 115.700 0.169 0.000 2.661 488 S HA 0.924 5.395 4.470 0.001 0.000 0.268 488 S C 0.172 174.930 174.600 0.263 0.000 1.162 488 S CA -0.217 58.081 58.200 0.164 0.000 0.817 488 S CB 1.105 64.358 63.200 0.088 0.000 1.141 488 S HN 0.706 nan 8.310 nan 0.000 0.477 489 G N 1.364 110.267 108.800 0.172 0.000 2.574 489 G HA2 -0.323 3.637 3.960 0.001 0.000 0.286 489 G HA3 -0.323 3.637 3.960 0.001 0.000 0.286 489 G C 0.507 175.477 174.900 0.116 0.000 1.212 489 G CA 0.684 45.871 45.100 0.145 0.000 0.979 489 G HN 1.137 nan 8.290 nan 0.000 0.557 490 E N -0.020 120.196 120.200 0.027 0.000 2.478 490 E HA -0.002 4.348 4.350 0.001 0.000 0.198 490 E C 0.226 176.764 176.600 -0.103 0.000 1.046 490 E CA -0.192 56.155 56.400 -0.089 0.000 0.870 490 E CB 0.017 29.583 29.700 -0.223 0.000 0.818 490 E HN 0.388 nan 8.360 nan 0.000 0.527 491 W N 2.134 123.450 121.300 0.027 0.000 2.469 491 W HA 0.089 4.749 4.660 0.001 0.000 0.321 491 W C 0.680 177.257 176.519 0.098 0.000 1.415 491 W CA -0.194 57.182 57.345 0.051 0.000 1.308 491 W CB 0.264 29.790 29.460 0.109 0.000 1.368 491 W HN 0.011 nan 8.180 nan 0.000 0.546 492 Q N 2.224 122.208 119.800 0.307 0.000 2.373 492 Q HA 0.100 4.441 4.340 0.001 0.000 0.255 492 Q C -1.240 174.971 176.000 0.353 0.000 0.980 492 Q CA -0.310 55.664 55.803 0.284 0.000 0.882 492 Q CB 0.755 29.642 28.738 0.248 0.000 1.249 492 Q HN 0.520 nan 8.270 nan 0.000 0.438 493 Y N 1.186 121.575 120.300 0.149 0.000 2.406 493 Y HA 0.424 4.975 4.550 0.001 0.000 0.340 493 Y C -1.393 174.494 175.900 -0.020 0.000 0.975 493 Y CA -0.476 57.691 58.100 0.111 0.000 1.056 493 Y CB 1.956 40.512 38.460 0.160 0.000 1.210 493 Y HN 0.517 nan 8.280 nan 0.000 0.448 494 T N 6.374 120.648 114.554 -0.468 0.000 2.921 494 T HA 0.222 4.573 4.350 0.001 0.000 0.297 494 T C -1.969 172.524 174.700 -0.345 0.000 1.013 494 T CA -0.501 61.398 62.100 -0.336 0.000 0.990 494 T CB 0.754 69.229 68.868 -0.654 0.000 1.023 494 T HN 0.510 nan 8.240 nan 0.000 0.447 495 Y N 3.250 123.553 120.300 0.005 0.000 2.385 495 Y HA 0.347 4.898 4.550 0.001 0.000 0.341 495 Y C 0.053 175.986 175.900 0.056 0.000 0.965 495 Y CA -0.937 57.180 58.100 0.028 0.000 1.180 495 Y CB 0.623 39.184 38.460 0.167 0.000 1.139 495 Y HN 0.532 nan 8.280 nan 0.000 0.502 496 D N 5.028 125.202 120.400 -0.377 0.000 2.338 496 D HA 0.152 4.793 4.640 0.001 0.000 0.255 496 D C 0.449 176.537 176.300 -0.353 0.000 1.237 496 D CA 0.347 54.240 54.000 -0.178 0.000 0.883 496 D CB 1.498 42.264 40.800 -0.056 0.000 1.087 496 D HN 0.787 nan 8.370 nan 0.000 0.485 497 A N 3.226 126.047 122.820 0.002 0.000 2.169 497 A HA -0.007 4.314 4.320 0.001 0.000 0.212 497 A C 1.876 179.470 177.584 0.017 0.000 1.153 497 A CA 0.657 52.778 52.037 0.139 0.000 0.756 497 A CB 0.100 19.238 19.000 0.230 0.000 0.813 497 A HN 0.585 nan 8.150 nan 0.000 0.471 498 T N -0.038 114.483 114.554 -0.055 0.000 2.814 498 T HA 0.125 4.475 4.350 0.001 0.000 0.254 498 T C 2.321 176.919 174.700 -0.169 0.000 1.037 498 T CA 1.141 63.187 62.100 -0.090 0.000 1.143 498 T CB -0.374 68.437 68.868 -0.095 0.000 0.866 498 T HN 0.494 nan 8.240 nan 0.000 0.431 499 A N 1.137 123.799 122.820 -0.263 0.000 1.933 499 A HA -0.062 4.258 4.320 0.001 0.000 0.218 499 A C 0.660 178.047 177.584 -0.328 0.000 1.175 499 A CA 0.987 52.814 52.037 -0.350 0.000 0.628 499 A CB -0.305 18.367 19.000 -0.546 0.000 0.814 499 A HN 0.513 nan 8.150 nan 0.000 0.444 500 E N -1.894 118.103 120.200 -0.338 0.000 2.442 500 E HA -0.128 4.223 4.350 0.001 0.000 0.177 500 E C -0.288 176.015 176.600 -0.496 0.000 1.505 500 E CA 0.867 57.092 56.400 -0.292 0.000 0.662 500 E CB -2.221 27.447 29.700 -0.052 0.000 1.117 500 E HN 1.405 nan 8.360 nan 0.000 0.375 501 A N 1.769 124.014 122.820 -0.958 0.000 2.500 501 A HA 0.600 4.920 4.320 0.001 0.000 0.291 501 A C -2.779 174.331 177.584 -0.791 0.000 1.048 501 A CA -1.128 50.434 52.037 -0.791 0.000 0.791 501 A CB 1.770 20.120 19.000 -1.083 0.000 1.309 501 A HN 0.026 nan 8.150 nan 0.000 0.397 502 P HA 0.607 nan 4.420 nan 0.000 0.281 502 P C -1.315 175.740 177.300 -0.408 0.000 1.249 502 P CA 0.050 62.815 63.100 -0.558 0.000 0.810 502 P CB 0.642 31.943 31.700 -0.665 0.000 1.008 503 Y N -0.270 119.851 120.300 -0.298 0.000 2.609 503 Y HA 0.681 5.231 4.550 0.001 0.000 0.336 503 Y C -1.251 174.767 175.900 0.197 0.000 1.129 503 Y CA -1.667 56.533 58.100 0.166 0.000 1.040 503 Y CB 0.800 39.505 38.460 0.408 0.000 1.310 503 Y HN 0.331 nan 8.280 nan 0.000 0.460 504 V N 0.117 120.353 119.914 0.536 0.000 2.769 504 V HA 0.821 4.941 4.120 0.001 0.000 0.312 504 V C -1.654 174.859 176.094 0.698 0.000 1.061 504 V CA -0.929 61.651 62.300 0.466 0.000 0.931 504 V CB 2.013 34.028 31.823 0.320 0.000 1.010 504 V HN 0.925 nan 8.190 nan 0.000 0.433 505 F N 2.869 123.103 119.950 0.473 0.000 2.574 505 F HA 0.672 5.199 4.527 0.001 0.000 0.313 505 F C -0.538 175.244 175.800 -0.029 0.000 1.130 505 F CA -1.064 57.066 58.000 0.217 0.000 0.936 505 F CB 2.184 41.227 39.000 0.071 0.000 1.219 505 F HN 0.756 nan 8.300 nan 0.000 0.445 506 K N 8.170 127.930 120.400 -1.066 0.000 2.404 506 K HA 0.478 4.798 4.320 0.001 0.000 0.257 506 K C -2.396 173.447 176.600 -1.261 0.000 1.026 506 K CA -1.841 53.694 56.287 -1.253 0.000 0.951 506 K CB 1.668 33.092 32.500 -1.795 0.000 1.203 506 K HN 0.266 nan 8.250 nan 0.000 0.446 507 P HA -0.169 nan 4.420 nan 0.000 0.218 507 P C 1.052 178.120 177.300 -0.387 0.000 1.149 507 P CA 0.973 63.653 63.100 -0.700 0.000 0.817 507 P CB 0.258 31.821 31.700 -0.229 0.000 0.785 508 S N -1.014 114.472 115.700 -0.358 0.000 2.399 508 S HA -0.131 4.339 4.470 0.001 0.000 0.231 508 S C 1.706 176.179 174.600 -0.211 0.000 1.022 508 S CA 1.975 60.037 58.200 -0.231 0.000 0.983 508 S CB -1.759 61.315 63.200 -0.210 0.000 0.803 508 S HN 0.297 nan 8.310 nan 0.000 0.480 509 T N -4.056 110.321 114.554 -0.296 0.000 3.003 509 T HA 0.530 4.881 4.350 0.001 0.000 0.261 509 T C 1.435 176.031 174.700 -0.174 0.000 1.003 509 T CA 0.481 62.455 62.100 -0.210 0.000 0.917 509 T CB -0.022 68.711 68.868 -0.225 0.000 1.084 509 T HN 1.201 nan 8.240 nan 0.000 0.522 510 G N 2.078 110.725 108.800 -0.255 0.000 2.225 510 G HA2 -0.206 3.754 3.960 0.001 0.000 0.267 510 G HA3 -0.206 3.754 3.960 0.001 0.000 0.267 510 G C -0.473 174.425 174.900 -0.002 0.000 1.024 510 G CA 0.042 45.102 45.100 -0.067 0.000 0.784 510 G HN 0.575 nan 8.290 nan 0.000 0.507 511 D N -0.207 120.072 120.400 -0.201 0.000 2.343 511 D HA 0.453 5.093 4.640 0.001 0.000 0.255 511 D C 0.306 176.725 176.300 0.198 0.000 1.187 511 D CA 0.196 54.173 54.000 -0.039 0.000 0.875 511 D CB 1.482 42.176 40.800 -0.177 0.000 1.136 511 D HN 0.326 nan 8.370 nan 0.000 0.469 512 L N 4.058 125.500 121.223 0.365 0.000 2.410 512 L HA 0.556 4.897 4.340 0.001 0.000 0.270 512 L C -1.436 175.681 176.870 0.412 0.000 0.983 512 L CA -0.491 54.619 54.840 0.450 0.000 0.822 512 L CB 1.520 43.710 42.059 0.218 0.000 1.285 512 L HN 0.276 nan 8.230 nan 0.000 0.409 513 I N 3.661 124.482 120.570 0.418 0.000 2.499 513 I HA 0.356 4.527 4.170 0.001 0.000 0.288 513 I C -0.515 175.945 176.117 0.572 0.000 1.048 513 I CA -0.510 60.996 61.300 0.343 0.000 1.062 513 I CB 2.276 40.348 38.000 0.121 0.000 1.238 513 I HN 0.624 nan 8.210 nan 0.000 0.426 514 T N 6.630 121.496 114.554 0.520 0.000 2.794 514 T HA 0.777 5.128 4.350 0.001 0.000 0.280 514 T C -0.811 174.188 174.700 0.498 0.000 0.987 514 T CA -0.251 62.191 62.100 0.569 0.000 0.993 514 T CB 0.478 69.675 68.868 0.550 0.000 0.939 514 T HN 0.423 nan 8.240 nan 0.000 0.449 515 F N 1.263 121.317 119.950 0.173 0.000 2.789 515 F HA 0.737 5.265 4.527 0.001 0.000 0.319 515 F C -1.123 174.711 175.800 0.057 0.000 1.168 515 F CA -1.511 56.537 58.000 0.080 0.000 0.934 515 F CB 0.415 39.502 39.000 0.145 0.000 1.375 515 F HN 0.263 nan 8.300 nan 0.000 0.480 516 D N 0.863 121.297 120.400 0.057 0.000 2.193 516 D HA 0.415 5.056 4.640 0.001 0.000 0.249 516 D C -1.046 175.289 176.300 0.057 0.000 1.034 516 D CA 0.303 54.269 54.000 -0.057 0.000 0.902 516 D CB 1.732 42.483 40.800 -0.082 0.000 1.182 516 D HN 0.732 nan 8.370 nan 0.000 0.436 517 D N -1.037 119.374 120.400 0.018 0.000 2.732 517 D HA 0.387 5.028 4.640 0.001 0.000 0.292 517 D C 0.578 176.900 176.300 0.036 0.000 1.135 517 D CA -0.653 53.420 54.000 0.122 0.000 1.071 517 D CB 0.354 41.399 40.800 0.407 0.000 1.457 517 D HN 0.202 nan 8.370 nan 0.000 0.547 518 A N -0.156 122.695 122.820 0.052 0.000 1.948 518 A HA -0.208 4.112 4.320 0.001 0.000 0.220 518 A C 2.177 179.762 177.584 0.001 0.000 1.177 518 A CA 2.141 54.183 52.037 0.007 0.000 0.636 518 A CB -0.741 18.277 19.000 0.029 0.000 0.815 518 A HN 0.574 nan 8.150 nan 0.000 0.449 519 R N -0.090 120.412 120.500 0.004 0.000 2.075 519 R HA -0.094 4.247 4.340 0.001 0.000 0.226 519 R C 2.512 178.834 176.300 0.037 0.000 1.114 519 R CA 1.648 57.696 56.100 -0.088 0.000 0.972 519 R CB -0.227 29.832 30.300 -0.401 0.000 0.869 519 R HN 0.669 nan 8.270 nan 0.000 0.437 520 S N -0.398 115.423 115.700 0.201 0.000 2.402 520 S HA -0.063 4.408 4.470 0.001 0.000 0.229 520 S C 2.002 176.638 174.600 0.059 0.000 1.021 520 S CA 1.072 59.383 58.200 0.186 0.000 0.974 520 S CB -0.308 62.952 63.200 0.101 0.000 0.800 520 S HN 0.121 nan 8.310 nan 0.000 0.484 521 V N 2.325 122.252 119.914 0.021 0.000 2.343 521 V HA -0.180 3.940 4.120 0.001 0.000 0.247 521 V C 3.045 179.144 176.094 0.008 0.000 1.051 521 V CA 1.895 64.192 62.300 -0.005 0.000 1.036 521 V CB -0.874 30.924 31.823 -0.041 0.000 0.654 521 V HN 0.496 nan 8.190 nan 0.000 0.451 522 Q N 0.112 119.914 119.800 0.004 0.000 2.061 522 Q HA -0.230 4.111 4.340 0.001 0.000 0.204 522 Q C 2.499 178.519 176.000 0.033 0.000 0.984 522 Q CA 2.069 57.876 55.803 0.008 0.000 0.846 522 Q CB -0.783 27.950 28.738 -0.008 0.000 0.902 522 Q HN 0.650 nan 8.270 nan 0.000 0.421 523 A N 1.768 124.616 122.820 0.045 0.000 1.873 523 A HA -0.262 4.059 4.320 0.001 0.000 0.218 523 A C 2.145 179.778 177.584 0.081 0.000 1.193 523 A CA 2.082 54.157 52.037 0.063 0.000 0.629 523 A CB -0.511 18.536 19.000 0.078 0.000 0.826 523 A HN 0.327 nan 8.150 nan 0.000 0.447 524 K N -0.924 119.516 120.400 0.067 0.000 2.063 524 K HA -0.109 4.211 4.320 0.001 0.000 0.208 524 K C 2.136 178.830 176.600 0.157 0.000 1.048 524 K CA 1.245 57.601 56.287 0.115 0.000 0.928 524 K CB -0.509 32.037 32.500 0.076 0.000 0.713 524 K HN 0.487 nan 8.250 nan 0.000 0.442 525 G N 1.532 110.387 108.800 0.091 0.000 2.402 525 G HA2 -0.277 3.684 3.960 0.001 0.000 0.216 525 G HA3 -0.277 3.684 3.960 0.001 0.000 0.216 525 G C 1.409 176.356 174.900 0.079 0.000 1.162 525 G CA 0.652 45.795 45.100 0.071 0.000 0.777 525 G HN 0.210 nan 8.290 nan 0.000 0.539 526 K N -0.659 119.790 120.400 0.082 0.000 2.103 526 K HA -0.198 4.123 4.320 0.001 0.000 0.207 526 K C 2.151 178.825 176.600 0.123 0.000 1.048 526 K CA 1.351 57.688 56.287 0.082 0.000 0.930 526 K CB -0.344 32.198 32.500 0.071 0.000 0.716 526 K HN 0.370 nan 8.250 nan 0.000 0.444 527 Y N 0.984 121.295 120.300 0.018 0.000 2.181 527 Y HA -0.227 4.323 4.550 0.001 0.000 0.288 527 Y C 1.854 177.767 175.900 0.022 0.000 1.146 527 Y CA 1.296 59.408 58.100 0.020 0.000 1.164 527 Y CB -0.328 38.146 38.460 0.023 0.000 0.982 527 Y HN -0.169 nan 8.280 nan 0.000 0.515 528 V N 0.480 120.412 119.914 0.030 0.000 2.295 528 V HA -0.331 3.789 4.120 0.001 0.000 0.246 528 V C 2.484 178.528 176.094 -0.082 0.000 1.049 528 V CA 2.101 64.365 62.300 -0.061 0.000 1.024 528 V CB -0.768 31.080 31.823 0.042 0.000 0.648 528 V HN 0.443 nan 8.190 nan 0.000 0.447 529 L N -0.352 120.855 121.223 -0.027 0.000 2.017 529 L HA -0.184 4.157 4.340 0.001 0.000 0.208 529 L C 2.425 179.268 176.870 -0.046 0.000 1.073 529 L CA 1.713 56.539 54.840 -0.024 0.000 0.745 529 L CB -0.935 41.126 42.059 0.003 0.000 0.894 529 L HN 0.325 nan 8.230 nan 0.000 0.432 530 D N 0.226 120.597 120.400 -0.049 0.000 2.104 530 D HA -0.150 4.491 4.640 0.001 0.000 0.194 530 D C 2.014 178.250 176.300 -0.107 0.000 0.994 530 D CA 1.229 55.197 54.000 -0.054 0.000 0.830 530 D CB -0.097 40.689 40.800 -0.022 0.000 0.959 530 D HN 0.134 nan 8.370 nan 0.000 0.452 531 K N 0.323 120.590 120.400 -0.221 0.000 2.444 531 K HA 0.088 4.409 4.320 0.001 0.000 0.193 531 K C 0.284 176.779 176.600 -0.174 0.000 1.024 531 K CA 0.013 56.144 56.287 -0.261 0.000 1.077 531 K CB 0.216 32.395 32.500 -0.535 0.000 0.833 531 K HN 0.243 nan 8.250 nan 0.000 0.517 532 Q N 0.511 120.237 119.800 -0.124 0.000 2.481 532 Q HA -0.184 4.157 4.340 0.001 0.000 0.272 532 Q C -0.436 175.524 176.000 -0.067 0.000 1.157 532 Q CA 0.274 56.033 55.803 -0.073 0.000 0.935 532 Q CB -2.022 26.686 28.738 -0.049 0.000 1.338 532 Q HN 0.288 nan 8.270 nan 0.000 0.494 533 L N -1.520 119.647 121.223 -0.093 0.000 2.468 533 L HA 0.156 4.497 4.340 0.001 0.000 0.253 533 L C 1.924 178.791 176.870 -0.004 0.000 1.237 533 L CA 0.609 55.418 54.840 -0.052 0.000 0.823 533 L CB 0.021 42.043 42.059 -0.063 0.000 1.124 533 L HN 0.305 nan 8.230 nan 0.000 0.504 534 G N -0.894 107.920 108.800 0.023 0.000 2.443 534 G HA2 0.338 4.298 3.960 0.001 0.000 0.219 534 G HA3 0.338 4.298 3.960 0.001 0.000 0.219 534 G C 0.588 175.510 174.900 0.037 0.000 1.131 534 G CA 0.741 45.867 45.100 0.044 0.000 0.775 534 G HN 1.005 nan 8.290 nan 0.000 0.547 535 G N -1.394 107.443 108.800 0.061 0.000 2.334 535 G HA2 0.293 4.253 3.960 0.001 0.000 0.249 535 G HA3 0.293 4.253 3.960 0.001 0.000 0.249 535 G C -1.685 173.305 174.900 0.149 0.000 1.327 535 G CA -0.783 44.366 45.100 0.082 0.000 0.979 535 G HN 0.425 nan 8.290 nan 0.000 0.471 536 L N 0.334 121.657 121.223 0.168 0.000 2.388 536 L HA 0.863 5.203 4.340 0.001 0.000 0.264 536 L C -0.464 176.592 176.870 0.311 0.000 0.998 536 L CA -0.958 54.008 54.840 0.208 0.000 0.817 536 L CB 2.112 44.231 42.059 0.100 0.000 1.338 536 L HN 0.824 nan 8.230 nan 0.000 0.414 537 F N 0.026 120.082 119.950 0.177 0.000 2.650 537 F HA 0.921 5.449 4.527 0.001 0.000 0.320 537 F C -0.603 175.312 175.800 0.193 0.000 1.091 537 F CA -0.877 57.211 58.000 0.147 0.000 0.962 537 F CB 1.752 40.812 39.000 0.101 0.000 1.363 537 F HN 0.417 nan 8.300 nan 0.000 0.482 538 S N 0.514 116.234 115.700 0.034 0.000 2.588 538 S HA 0.558 5.028 4.470 0.001 0.000 0.275 538 S C -2.140 172.587 174.600 0.211 0.000 1.130 538 S CA -0.654 57.510 58.200 -0.061 0.000 0.855 538 S CB 2.098 65.275 63.200 -0.038 0.000 1.116 538 S HN 1.143 nan 8.310 nan 0.000 0.472 539 W N 2.743 123.976 121.300 -0.112 0.000 2.600 539 W HA 0.520 5.181 4.660 0.001 0.000 0.325 539 W C -1.323 175.184 176.519 -0.021 0.000 1.034 539 W CA -0.483 56.816 57.345 -0.076 0.000 1.226 539 W CB 1.643 30.933 29.460 -0.284 0.000 1.379 539 W HN 1.068 nan 8.180 nan 0.000 0.466 540 E N 4.047 123.954 120.200 -0.489 0.000 2.343 540 E HA 0.274 4.625 4.350 0.001 0.000 0.270 540 E C 0.135 176.424 176.600 -0.518 0.000 0.895 540 E CA -0.867 55.006 56.400 -0.878 0.000 0.767 540 E CB 2.592 31.308 29.700 -1.640 0.000 1.248 540 E HN 0.255 nan 8.360 nan 0.000 0.440 541 I N 2.078 122.383 120.570 -0.442 0.000 2.264 541 I HA -0.272 3.899 4.170 0.001 0.000 0.248 541 I C 1.786 177.493 176.117 -0.684 0.000 1.111 541 I CA 1.989 63.078 61.300 -0.352 0.000 1.382 541 I CB -0.390 37.526 38.000 -0.141 0.000 1.060 541 I HN 0.765 nan 8.210 nan 0.000 0.418 542 D N 0.401 120.163 120.400 -1.064 0.000 2.263 542 D HA -0.181 4.459 4.640 0.001 0.000 0.208 542 D C 1.760 177.621 176.300 -0.730 0.000 0.971 542 D CA 1.212 54.218 54.000 -1.656 0.000 0.867 542 D CB -0.200 39.897 40.800 -1.171 0.000 0.929 542 D HN 0.472 nan 8.370 nan 0.000 0.492 543 A N 0.274 122.858 122.820 -0.393 0.000 2.195 543 A HA 0.026 4.346 4.320 0.001 0.000 0.210 543 A C 0.856 178.455 177.584 0.026 0.000 1.165 543 A CA -0.031 51.953 52.037 -0.088 0.000 0.806 543 A CB -0.006 19.005 19.000 0.019 0.000 0.847 543 A HN 0.094 nan 8.150 nan 0.000 0.482 544 D N 0.234 120.618 120.400 -0.027 0.000 2.344 544 D HA 0.154 4.794 4.640 0.001 0.000 0.244 544 D C 0.680 177.063 176.300 0.139 0.000 1.134 544 D CA 0.120 54.176 54.000 0.093 0.000 0.930 544 D CB 0.632 41.437 40.800 0.009 0.000 1.175 544 D HN 0.298 nan 8.370 nan 0.000 0.437 545 N N 1.159 119.996 118.700 0.228 0.000 2.205 545 N HA 0.203 4.943 4.740 0.001 0.000 0.201 545 N C 1.072 176.673 175.510 0.152 0.000 1.128 545 N CA 0.455 53.607 53.050 0.171 0.000 0.867 545 N CB 1.045 39.621 38.487 0.148 0.000 0.996 545 N HN 0.527 nan 8.380 nan 0.000 0.503 546 G N 0.095 108.977 108.800 0.137 0.000 2.352 546 G HA2 -0.259 3.702 3.960 0.001 0.000 0.204 546 G HA3 -0.259 3.702 3.960 0.001 0.000 0.204 546 G C 0.596 175.549 174.900 0.089 0.000 1.004 546 G CA 0.232 45.397 45.100 0.108 0.000 0.648 546 G HN 0.246 nan 8.290 nan 0.000 0.491 547 D N 0.950 121.416 120.400 0.110 0.000 2.104 547 D HA -0.074 4.566 4.640 0.001 0.000 0.194 547 D C 2.612 178.878 176.300 -0.056 0.000 0.994 547 D CA 1.349 55.388 54.000 0.065 0.000 0.830 547 D CB -0.059 40.835 40.800 0.157 0.000 0.959 547 D HN 0.415 nan 8.370 nan 0.000 0.452 548 I N 0.253 120.723 120.570 -0.166 0.000 2.193 548 I HA -0.153 4.018 4.170 0.001 0.000 0.240 548 I C 2.454 178.511 176.117 -0.101 0.000 1.084 548 I CA 0.503 61.686 61.300 -0.196 0.000 1.365 548 I CB -1.119 36.723 38.000 -0.262 0.000 1.064 548 I HN 0.050 nan 8.210 nan 0.000 0.410 549 L N 1.697 122.884 121.223 -0.060 0.000 2.079 549 L HA -0.196 4.145 4.340 0.001 0.000 0.210 549 L C 2.162 178.996 176.870 -0.060 0.000 1.081 549 L CA 1.787 56.603 54.840 -0.040 0.000 0.752 549 L CB -0.957 41.103 42.059 0.002 0.000 0.896 549 L HN 0.207 nan 8.230 nan 0.000 0.433 550 N N -0.980 117.719 118.700 -0.001 0.000 2.069 550 N HA -0.200 4.541 4.740 0.001 0.000 0.191 550 N C 2.093 177.527 175.510 -0.126 0.000 1.031 550 N CA 1.619 54.691 53.050 0.037 0.000 0.852 550 N CB -0.544 38.042 38.487 0.165 0.000 1.018 550 N HN 0.440 nan 8.380 nan 0.000 0.423 551 S N 0.055 115.711 115.700 -0.074 0.000 2.406 551 S HA 0.051 4.522 4.470 0.001 0.000 0.228 551 S C 1.956 176.487 174.600 -0.115 0.000 1.020 551 S CA 0.541 58.695 58.200 -0.076 0.000 0.965 551 S CB -0.033 63.139 63.200 -0.046 0.000 0.798 551 S HN 0.176 nan 8.310 nan 0.000 0.488 552 M N 1.553 121.082 119.600 -0.118 0.000 2.080 552 M HA -0.118 4.362 4.480 0.001 0.000 0.260 552 M C 2.208 178.409 176.300 -0.165 0.000 1.068 552 M CA 1.578 56.817 55.300 -0.101 0.000 1.109 552 M CB -0.542 32.018 32.600 -0.067 0.000 1.342 552 M HN 0.360 nan 8.290 nan 0.000 0.405 553 N N 0.355 118.865 118.700 -0.316 0.000 2.058 553 N HA -0.114 4.626 4.740 0.001 0.000 0.191 553 N C 1.781 177.015 175.510 -0.460 0.000 1.037 553 N CA 1.754 54.508 53.050 -0.493 0.000 0.848 553 N CB -0.250 37.645 38.487 -0.987 0.000 1.021 553 N HN 0.327 nan 8.380 nan 0.000 0.422 554 A N 1.178 123.698 122.820 -0.500 0.000 1.883 554 A HA -0.177 4.143 4.320 0.001 0.000 0.217 554 A C 2.414 179.957 177.584 -0.068 0.000 1.186 554 A CA 2.369 54.306 52.037 -0.166 0.000 0.624 554 A CB -0.823 18.163 19.000 -0.023 0.000 0.822 554 A HN 0.498 nan 8.150 nan 0.000 0.444 555 S N -0.661 114.995 115.700 -0.073 0.000 2.453 555 S HA 0.083 4.553 4.470 0.001 0.000 0.231 555 S C 1.515 176.107 174.600 -0.014 0.000 1.005 555 S CA 1.091 59.276 58.200 -0.026 0.000 0.949 555 S CB -0.430 62.759 63.200 -0.018 0.000 0.774 555 S HN 0.419 nan 8.310 nan 0.000 0.510 556 L N 0.818 122.020 121.223 -0.034 0.000 2.592 556 L HA 0.356 4.696 4.340 0.001 0.000 0.227 556 L C 1.702 178.571 176.870 -0.002 0.000 1.127 556 L CA 0.365 55.199 54.840 -0.010 0.000 0.884 556 L CB -0.312 41.741 42.059 -0.009 0.000 1.065 556 L HN 0.590 nan 8.230 nan 0.000 0.457 557 G N -0.152 108.645 108.800 -0.005 0.000 2.132 557 G HA2 -0.240 3.720 3.960 0.001 0.000 0.234 557 G HA3 -0.240 3.720 3.960 0.001 0.000 0.234 557 G C 0.000 174.924 174.900 0.040 0.000 0.989 557 G CA -0.367 44.747 45.100 0.022 0.000 0.676 557 G HN 0.306 nan 8.290 nan 0.000 0.522 558 N N 0.685 119.402 118.700 0.029 0.000 2.479 558 N HA 0.419 5.159 4.740 0.001 0.000 0.257 558 N C 0.465 176.092 175.510 0.195 0.000 1.232 558 N CA 0.312 53.414 53.050 0.087 0.000 0.920 558 N CB 0.958 39.479 38.487 0.057 0.000 1.105 558 N HN 0.219 nan 8.380 nan 0.000 0.444 559 S N 0.681 116.489 115.700 0.179 0.000 2.545 559 S HA 0.413 4.883 4.470 0.001 0.000 0.275 559 S C 0.479 175.180 174.600 0.168 0.000 1.299 559 S CA -0.859 57.431 58.200 0.151 0.000 1.048 559 S CB 0.765 64.014 63.200 0.081 0.000 0.938 559 S HN 0.655 nan 8.310 nan 0.000 0.496 560 A N 2.705 125.561 122.820 0.060 0.000 2.521 560 A HA 0.556 4.876 4.320 0.001 0.000 0.237 560 A C 1.041 178.536 177.584 -0.148 0.000 1.087 560 A CA 0.467 52.376 52.037 -0.215 0.000 0.777 560 A CB -0.881 18.002 19.000 -0.194 0.000 1.035 560 A HN 1.842 nan 8.150 nan 0.000 0.510 561 G N -1.594 107.078 108.800 -0.214 0.000 2.699 561 G HA2 0.210 4.171 3.960 0.001 0.000 0.686 561 G HA3 0.210 4.171 3.960 0.001 0.000 0.686 561 G C -0.231 174.629 174.900 -0.066 0.000 1.301 561 G CA -0.472 44.560 45.100 -0.112 0.000 0.816 561 G HN 1.534 nan 8.290 nan 0.000 0.595 562 V N 0.000 119.890 119.914 -0.041 0.000 2.409 562 V HA 0.000 4.121 4.120 0.001 0.000 0.244 562 V CA 0.000 62.293 62.300 -0.011 0.000 1.235 562 V CB 0.000 31.817 31.823 -0.011 0.000 1.184 562 V HN 0.000 nan 8.190 nan 0.000 0.556