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 1l3j_1_A DATA FIRST_RESID 8 DATA SEQUENCE PQPIRGDKGA TVKIPRNIER DRQNPDMLVP PETDHGTVSN MKFSFSDTHN DATA SEQUENCE RLEKGGYARE VTVRELPISE NLASVNMRLK PGAIRELHWH KEAEWAYMIY DATA SEQUENCE GSARVTIVDE KGRSFIDDVG EGDLWYFPSG LPHSIQALEE GAEFLLVFDD DATA SEQUENCE GSFSENSTFQ LTDWLAHTPK EVIAANFGVT KEEISNLPGK EKYIFENQLP DATA SEQUENCE GSLKDDIVEG PNGEVPYPFT YRLLEQEPIE SEGGKVYIAD STNFKVSKTI DATA SEQUENCE ASALVTVEPG AMRELHWHPN THEWQYYISG KARMTVFASD GHARTFNYQA DATA SEQUENCE GDVGYVPFAM GHYVENIGDE PLVFLEIFKD DHYADVSLNQ WLAMLPETFV DATA SEQUENCE QAHLDLGKDF TDVLSKEKHP VV 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 8 P HA 0.000 nan 4.420 nan 0.000 0.216 8 P C 0.000 177.288 177.300 -0.020 0.000 1.155 8 P CA 0.000 63.089 63.100 -0.019 0.000 0.800 8 P CB 0.000 31.686 31.700 -0.023 0.000 0.726 9 Q N 0.792 120.580 119.800 -0.020 0.000 2.397 9 Q HA 0.447 4.788 4.340 0.001 0.000 0.275 9 Q C -2.609 173.376 176.000 -0.024 0.000 1.090 9 Q CA -1.745 54.045 55.803 -0.021 0.000 0.809 9 Q CB 2.267 30.994 28.738 -0.018 0.000 1.362 9 Q HN 0.212 nan 8.270 nan 0.000 0.431 10 P HA 0.290 nan 4.420 nan 0.000 0.230 10 P C -0.615 176.669 177.300 -0.027 0.000 1.791 10 P CA 0.415 63.497 63.100 -0.031 0.000 1.020 10 P CB -0.248 31.432 31.700 -0.033 0.000 1.977 11 I N 1.234 121.789 120.570 -0.024 0.000 2.533 11 I HA 0.444 4.614 4.170 0.001 0.000 0.290 11 I C 0.304 176.410 176.117 -0.019 0.000 1.056 11 I CA -0.800 60.487 61.300 -0.021 0.000 1.057 11 I CB 2.925 40.915 38.000 -0.017 0.000 1.240 11 I HN -0.056 nan 8.210 nan 0.000 0.423 12 R N 4.855 125.344 120.500 -0.019 0.000 2.521 12 R HA 0.526 4.866 4.340 0.001 0.000 0.295 12 R C 0.358 176.650 176.300 -0.014 0.000 1.183 12 R CA 0.349 56.440 56.100 -0.017 0.000 0.957 12 R CB 1.309 31.598 30.300 -0.018 0.000 1.171 12 R HN 0.939 nan 8.270 nan 0.000 0.494 13 G N 4.247 113.040 108.800 -0.012 0.000 2.596 13 G HA2 -0.441 3.520 3.960 0.001 0.000 0.304 13 G HA3 -0.441 3.520 3.960 0.001 0.000 0.304 13 G C 0.155 175.048 174.900 -0.011 0.000 1.189 13 G CA 0.767 45.860 45.100 -0.011 0.000 0.986 13 G HN 0.775 nan 8.290 nan 0.000 0.548 14 D N 1.168 121.561 120.400 -0.011 0.000 2.342 14 D HA 0.299 4.940 4.640 0.001 0.000 0.221 14 D C 0.761 177.054 176.300 -0.013 0.000 1.101 14 D CA 0.429 54.422 54.000 -0.011 0.000 0.837 14 D CB 0.162 40.956 40.800 -0.010 0.000 0.938 14 D HN 0.634 nan 8.370 nan 0.000 0.508 15 K N 0.233 120.625 120.400 -0.014 0.000 2.156 15 K HA 0.602 4.923 4.320 0.001 0.000 0.250 15 K C 0.578 177.167 176.600 -0.019 0.000 0.955 15 K CA -0.509 55.768 56.287 -0.017 0.000 0.855 15 K CB 1.945 34.434 32.500 -0.018 0.000 1.101 15 K HN 0.158 nan 8.250 nan 0.000 0.434 16 G N 0.219 109.007 108.800 -0.021 0.000 2.698 16 G HA2 0.169 4.130 3.960 0.001 0.000 0.225 16 G HA3 0.169 4.130 3.960 0.001 0.000 0.225 16 G C -1.182 173.707 174.900 -0.020 0.000 1.345 16 G CA -0.505 44.582 45.100 -0.023 0.000 0.871 16 G HN 0.953 nan 8.290 nan 0.000 0.540 17 A N -2.053 120.754 122.820 -0.020 0.000 2.515 17 A HA 1.018 5.339 4.320 0.001 0.000 0.292 17 A C 0.201 177.774 177.584 -0.018 0.000 1.065 17 A CA 0.858 52.884 52.037 -0.018 0.000 0.641 17 A CB 0.408 19.398 19.000 -0.017 0.000 1.306 17 A HN 2.645 nan 8.150 nan 0.000 0.441 18 T N -0.747 113.797 114.554 -0.016 0.000 2.899 18 T HA 0.525 4.875 4.350 0.001 0.000 0.295 18 T C 0.193 174.883 174.700 -0.017 0.000 1.033 18 T CA -0.373 61.717 62.100 -0.016 0.000 1.084 18 T CB 0.678 69.538 68.868 -0.014 0.000 0.979 18 T HN 1.123 nan 8.240 nan 0.000 0.532 19 V N 3.706 123.609 119.914 -0.017 0.000 2.488 19 V HA 0.214 4.335 4.120 0.001 0.000 0.277 19 V C 1.200 177.285 176.094 -0.015 0.000 1.046 19 V CA -0.398 61.891 62.300 -0.018 0.000 0.986 19 V CB 0.916 32.727 31.823 -0.019 0.000 0.989 19 V HN 0.885 nan 8.190 nan 0.000 0.475 20 K N 3.812 124.204 120.400 -0.014 0.000 2.354 20 K HA 0.321 4.642 4.320 0.001 0.000 0.194 20 K C 0.409 177.002 176.600 -0.012 0.000 1.038 20 K CA 0.324 56.604 56.287 -0.012 0.000 1.052 20 K CB 0.523 33.016 32.500 -0.011 0.000 0.861 20 K HN 0.798 nan 8.250 nan 0.000 0.535 21 I N -0.550 120.012 120.570 -0.013 0.000 2.924 21 I HA 0.444 4.615 4.170 0.001 0.000 0.316 21 I C -2.403 173.707 176.117 -0.012 0.000 1.014 21 I CA -2.693 58.600 61.300 -0.012 0.000 1.106 21 I CB 0.437 38.429 38.000 -0.012 0.000 1.311 21 I HN -0.288 nan 8.210 nan 0.000 0.502 22 P HA 0.162 nan 4.420 nan 0.000 0.265 22 P C -1.214 176.078 177.300 -0.014 0.000 1.193 22 P CA 0.070 63.163 63.100 -0.011 0.000 0.765 22 P CB 0.400 32.094 31.700 -0.010 0.000 0.823 23 R N 1.206 121.697 120.500 -0.015 0.000 2.831 23 R HA 0.536 4.877 4.340 0.001 0.000 0.266 23 R C -0.830 175.459 176.300 -0.019 0.000 1.051 23 R CA -1.014 55.075 56.100 -0.018 0.000 0.943 23 R CB 0.853 31.141 30.300 -0.020 0.000 1.228 23 R HN 0.114 nan 8.270 nan 0.000 0.467 24 N N 1.143 119.829 118.700 -0.023 0.000 2.817 24 N HA 0.104 4.845 4.740 0.001 0.000 0.234 24 N C 0.215 175.709 175.510 -0.027 0.000 1.066 24 N CA -0.292 52.743 53.050 -0.025 0.000 0.926 24 N CB 0.840 39.309 38.487 -0.030 0.000 1.176 24 N HN 0.699 nan 8.380 nan 0.000 0.506 25 I N 2.670 123.226 120.570 -0.023 0.000 2.286 25 I HA -0.200 3.971 4.170 0.001 0.000 0.248 25 I C 1.520 177.622 176.117 -0.025 0.000 1.115 25 I CA 1.537 62.824 61.300 -0.023 0.000 1.392 25 I CB 0.224 38.213 38.000 -0.018 0.000 1.065 25 I HN 0.393 nan 8.210 nan 0.000 0.418 26 E N 0.293 120.478 120.200 -0.024 0.000 2.085 26 E HA -0.189 4.162 4.350 0.001 0.000 0.194 26 E C 2.355 178.935 176.600 -0.034 0.000 0.994 26 E CA 1.371 57.755 56.400 -0.025 0.000 0.801 26 E CB -0.276 29.411 29.700 -0.022 0.000 0.743 26 E HN 0.443 nan 8.360 nan 0.000 0.453 27 R N 0.501 120.977 120.500 -0.040 0.000 2.090 27 R HA -0.071 4.270 4.340 0.001 0.000 0.228 27 R C 1.525 177.792 176.300 -0.055 0.000 1.110 27 R CA 1.206 57.275 56.100 -0.052 0.000 0.973 27 R CB -0.176 30.088 30.300 -0.059 0.000 0.869 27 R HN 0.199 nan 8.270 nan 0.000 0.440 28 D N 0.663 121.035 120.400 -0.046 0.000 2.144 28 D HA -0.129 4.512 4.640 0.001 0.000 0.199 28 D C 1.883 178.156 176.300 -0.045 0.000 0.984 28 D CA 1.141 55.113 54.000 -0.047 0.000 0.834 28 D CB -0.084 40.693 40.800 -0.038 0.000 0.955 28 D HN 0.171 nan 8.370 nan 0.000 0.465 29 R N 0.238 120.715 120.500 -0.038 0.000 2.148 29 R HA -0.023 4.318 4.340 0.001 0.000 0.227 29 R C 2.191 178.467 176.300 -0.039 0.000 1.103 29 R CA 0.771 56.851 56.100 -0.033 0.000 0.983 29 R CB -0.018 30.267 30.300 -0.025 0.000 0.874 29 R HN 0.344 nan 8.270 nan 0.000 0.451 30 Q N -0.092 119.678 119.800 -0.049 0.000 2.389 30 Q HA 0.024 4.364 4.340 0.001 0.000 0.204 30 Q C 0.002 175.953 176.000 -0.081 0.000 0.944 30 Q CA 0.530 56.297 55.803 -0.060 0.000 0.908 30 Q CB 0.376 29.075 28.738 -0.064 0.000 1.002 30 Q HN 0.245 nan 8.270 nan 0.000 0.493 31 N N 0.591 119.242 118.700 -0.082 0.000 2.806 31 N HA 0.151 4.891 4.740 0.001 0.000 0.315 31 N C -2.281 173.180 175.510 -0.083 0.000 1.738 31 N CA -1.255 51.735 53.050 -0.100 0.000 0.993 31 N CB 1.081 39.503 38.487 -0.109 0.000 1.324 31 N HN 0.028 nan 8.380 nan 0.000 0.493 32 P HA -0.108 nan 4.420 nan 0.000 0.216 32 P C 0.590 177.857 177.300 -0.056 0.000 1.153 32 P CA 1.282 64.352 63.100 -0.050 0.000 0.858 32 P CB 0.379 32.059 31.700 -0.034 0.000 0.789 33 D N -1.935 118.425 120.400 -0.066 0.000 2.349 33 D HA 0.081 4.722 4.640 0.001 0.000 0.224 33 D C 1.547 177.777 176.300 -0.117 0.000 1.029 33 D CA 0.745 54.702 54.000 -0.071 0.000 0.879 33 D CB 0.073 40.843 40.800 -0.051 0.000 0.906 33 D HN 0.308 nan 8.370 nan 0.000 0.528 34 M N -0.501 119.023 119.600 -0.127 0.000 2.730 34 M HA 0.038 4.519 4.480 0.001 0.000 0.258 34 M C 1.873 178.106 176.300 -0.111 0.000 1.279 34 M CA 0.116 55.323 55.300 -0.156 0.000 1.183 34 M CB 0.337 32.839 32.600 -0.164 0.000 1.291 34 M HN -0.067 nan 8.290 nan 0.000 0.518 35 L N 0.580 121.751 121.223 -0.086 0.000 2.093 35 L HA 0.049 4.390 4.340 0.001 0.000 0.208 35 L C 0.523 177.357 176.870 -0.060 0.000 1.085 35 L CA 1.309 56.109 54.840 -0.066 0.000 0.755 35 L CB 0.321 42.347 42.059 -0.054 0.000 0.904 35 L HN 0.013 nan 8.230 nan 0.000 0.435 36 V N 1.102 120.981 119.914 -0.059 0.000 2.383 36 V HA 0.362 4.483 4.120 0.001 0.000 0.264 36 V C -2.304 173.759 176.094 -0.051 0.000 1.001 36 V CA -1.367 60.904 62.300 -0.048 0.000 0.828 36 V CB 0.595 32.397 31.823 -0.035 0.000 1.069 36 V HN 0.112 nan 8.190 nan 0.000 0.451 37 P HA 0.317 nan 4.420 nan 0.000 0.274 37 P C -2.618 174.662 177.300 -0.034 0.000 1.246 37 P CA -1.367 61.694 63.100 -0.065 0.000 0.795 37 P CB 0.055 31.701 31.700 -0.091 0.000 1.006 38 P HA 0.027 nan 4.420 nan 0.000 0.272 38 P C 0.661 177.962 177.300 0.002 0.000 1.223 38 P CA 0.131 63.234 63.100 0.005 0.000 0.784 38 P CB 0.425 32.144 31.700 0.032 0.000 0.923 39 E N 1.087 121.289 120.200 0.004 0.000 2.265 39 E HA -0.155 4.196 4.350 0.001 0.000 0.196 39 E C 1.197 177.809 176.600 0.020 0.000 0.996 39 E CA 1.825 58.228 56.400 0.005 0.000 0.832 39 E CB -0.766 28.935 29.700 0.000 0.000 0.756 39 E HN 0.498 nan 8.360 nan 0.000 0.491 40 T N -2.026 112.543 114.554 0.026 0.000 3.118 40 T HA 0.022 4.373 4.350 0.001 0.000 0.260 40 T C 0.296 175.040 174.700 0.074 0.000 1.139 40 T CA 0.090 62.215 62.100 0.040 0.000 1.085 40 T CB -0.132 68.754 68.868 0.031 0.000 0.934 40 T HN -0.095 nan 8.240 nan 0.000 0.518 41 D N 1.878 122.314 120.400 0.061 0.000 2.372 41 D HA 0.361 5.001 4.640 0.001 0.000 0.243 41 D C -0.155 176.208 176.300 0.105 0.000 1.121 41 D CA 0.466 54.505 54.000 0.064 0.000 0.898 41 D CB 0.367 41.163 40.800 -0.008 0.000 1.202 41 D HN 0.343 nan 8.370 nan 0.000 0.428 42 H N 0.278 119.332 119.070 -0.028 0.000 3.121 42 H HA 0.450 5.007 4.556 0.001 0.000 0.337 42 H C -0.039 175.187 175.328 -0.171 0.000 1.198 42 H CA 0.213 56.210 56.048 -0.085 0.000 1.274 42 H CB 1.124 30.838 29.762 -0.081 0.000 1.954 42 H HN 0.646 nan 8.280 nan 0.000 0.531 43 G N 1.783 110.298 108.800 -0.476 0.000 2.781 43 G HA2 -0.185 3.775 3.960 0.001 0.000 0.683 43 G HA3 -0.185 3.775 3.960 0.001 0.000 0.683 43 G C -0.711 174.156 174.900 -0.056 0.000 1.390 43 G CA -0.230 44.654 45.100 -0.360 0.000 0.850 43 G HN 0.685 nan 8.290 nan 0.000 0.557 44 T N 0.494 115.112 114.554 0.106 0.000 2.814 44 T HA 0.493 4.844 4.350 0.001 0.000 0.297 44 T C 0.365 175.192 174.700 0.212 0.000 0.956 44 T CA 0.179 62.361 62.100 0.135 0.000 1.123 44 T CB 1.178 70.117 68.868 0.119 0.000 0.902 44 T HN 1.137 nan 8.240 nan 0.000 0.528 45 V N 3.132 123.137 119.914 0.152 0.000 2.686 45 V HA 0.339 4.460 4.120 0.001 0.000 0.306 45 V C 0.287 176.487 176.094 0.176 0.000 1.065 45 V CA -1.031 61.375 62.300 0.176 0.000 0.894 45 V CB 2.368 34.321 31.823 0.217 0.000 1.004 45 V HN 0.927 nan 8.190 nan 0.000 0.424 46 S N 2.680 118.465 115.700 0.141 0.000 2.576 46 S HA 0.092 4.563 4.470 0.001 0.000 0.272 46 S C 0.280 174.976 174.600 0.159 0.000 1.352 46 S CA -0.034 58.232 58.200 0.109 0.000 1.021 46 S CB 0.180 63.407 63.200 0.045 0.000 0.887 46 S HN 0.865 nan 8.310 nan 0.000 0.542 47 N N 1.047 119.812 118.700 0.109 0.000 2.483 47 N HA 0.061 4.802 4.740 0.001 0.000 0.264 47 N C 0.052 175.477 175.510 -0.142 0.000 1.197 47 N CA 0.369 53.475 53.050 0.093 0.000 0.927 47 N CB 0.217 38.761 38.487 0.095 0.000 1.065 47 N HN 0.373 nan 8.380 nan 0.000 0.461 48 M N 2.043 121.297 119.600 -0.577 0.000 2.596 48 M HA 0.195 4.676 4.480 0.001 0.000 0.364 48 M C -0.305 175.765 176.300 -0.383 0.000 1.158 48 M CA 0.033 54.991 55.300 -0.570 0.000 0.940 48 M CB -0.891 31.201 32.600 -0.848 0.000 1.388 48 M HN 0.557 nan 8.290 nan 0.000 0.522 49 K N 0.502 120.768 120.400 -0.224 0.000 2.525 49 K HA 0.592 4.913 4.320 0.001 0.000 0.254 49 K C -2.257 174.400 176.600 0.095 0.000 0.934 49 K CA -0.344 55.937 56.287 -0.010 0.000 0.802 49 K CB 2.746 35.129 32.500 -0.194 0.000 1.295 49 K HN -0.012 nan 8.250 nan 0.000 0.433 50 F N 1.377 121.303 119.950 -0.040 0.000 2.635 50 F HA 0.293 4.823 4.527 0.004 0.000 0.314 50 F C -1.135 174.638 175.800 -0.045 0.000 1.119 50 F CA -0.368 57.598 58.000 -0.056 0.000 1.000 50 F CB 2.275 41.224 39.000 -0.086 0.000 1.278 50 F HN 0.444 nan 8.300 nan 0.000 0.446 51 S N 4.208 119.747 115.700 -0.268 0.000 2.489 51 S HA 0.368 4.839 4.470 0.001 0.000 0.291 51 S C 0.808 175.486 174.600 0.130 0.000 1.151 51 S CA -0.369 57.816 58.200 -0.025 0.000 1.082 51 S CB 0.527 63.673 63.200 -0.090 0.000 1.019 51 S HN 0.563 nan 8.310 nan 0.000 0.492 52 F N 3.022 123.129 119.950 0.262 0.000 2.269 52 F HA -0.045 4.484 4.527 0.003 0.000 0.301 52 F C 2.662 178.562 175.800 0.167 0.000 1.082 52 F CA 1.212 59.373 58.000 0.267 0.000 1.360 52 F CB -0.305 38.856 39.000 0.269 0.000 1.041 52 F HN 0.546 nan 8.300 nan 0.000 0.512 53 S N -1.004 114.858 115.700 0.270 0.000 2.507 53 S HA -0.134 4.337 4.470 0.001 0.000 0.235 53 S C 1.063 175.715 174.600 0.086 0.000 0.988 53 S CA 0.913 59.195 58.200 0.138 0.000 0.944 53 S CB -0.250 62.997 63.200 0.079 0.000 0.762 53 S HN 0.316 nan 8.310 nan 0.000 0.526 54 D N 1.843 122.286 120.400 0.072 0.000 2.395 54 D HA 0.105 4.746 4.640 0.001 0.000 0.226 54 D C 0.564 176.999 176.300 0.226 0.000 1.146 54 D CA 0.213 54.236 54.000 0.038 0.000 0.830 54 D CB 0.434 41.083 40.800 -0.251 0.000 0.958 54 D HN 0.461 nan 8.370 nan 0.000 0.501 55 T N -2.897 111.813 114.554 0.259 0.000 2.924 55 T HA 0.182 4.533 4.350 0.001 0.000 0.291 55 T C -0.070 174.763 174.700 0.221 0.000 1.045 55 T CA -0.855 61.415 62.100 0.284 0.000 1.015 55 T CB 2.473 71.540 68.868 0.331 0.000 1.103 55 T HN 0.042 nan 8.240 nan 0.000 0.496 56 H N 2.465 121.607 119.070 0.120 0.000 2.803 56 H HA 0.188 4.745 4.556 0.002 0.000 0.330 56 H C -0.695 174.685 175.328 0.085 0.000 1.057 56 H CA 0.035 56.130 56.048 0.078 0.000 1.458 56 H CB 0.498 30.294 29.762 0.056 0.000 1.470 56 H HN 0.568 nan 8.280 nan 0.000 0.560 57 N N 4.606 123.057 118.700 -0.415 0.000 2.457 57 N HA 0.076 4.817 4.740 0.001 0.000 0.250 57 N C -0.532 174.752 175.510 -0.377 0.000 0.982 57 N CA -0.485 52.396 53.050 -0.281 0.000 0.941 57 N CB 0.489 38.811 38.487 -0.276 0.000 1.120 57 N HN 0.621 nan 8.380 nan 0.000 0.505 58 R N 4.770 125.230 120.500 -0.067 0.000 2.288 58 R HA 0.222 4.562 4.340 0.001 0.000 0.330 58 R C -0.565 175.811 176.300 0.127 0.000 1.069 58 R CA -0.210 55.931 56.100 0.069 0.000 0.941 58 R CB 0.084 30.494 30.300 0.184 0.000 0.998 58 R HN 0.496 nan 8.270 nan 0.000 0.452 59 L N 4.495 125.767 121.223 0.082 0.000 2.289 59 L HA 0.453 4.794 4.340 0.001 0.000 0.285 59 L C 0.121 177.081 176.870 0.150 0.000 1.049 59 L CA -0.625 54.294 54.840 0.131 0.000 0.804 59 L CB 1.440 43.540 42.059 0.068 0.000 1.195 59 L HN 0.588 nan 8.230 nan 0.000 0.428 60 E N 1.976 122.285 120.200 0.181 0.000 2.410 60 E HA 0.363 4.714 4.350 0.001 0.000 0.269 60 E C -1.109 175.577 176.600 0.143 0.000 0.937 60 E CA -1.011 55.495 56.400 0.178 0.000 0.793 60 E CB 2.047 31.898 29.700 0.252 0.000 1.314 60 E HN 0.339 nan 8.360 nan 0.000 0.447 61 K N 0.460 120.942 120.400 0.137 0.000 2.278 61 K HA 0.367 4.688 4.320 0.001 0.000 0.289 61 K C 0.585 177.252 176.600 0.111 0.000 1.080 61 K CA 0.573 56.929 56.287 0.115 0.000 0.934 61 K CB 0.080 32.650 32.500 0.116 0.000 1.093 61 K HN 0.794 nan 8.250 nan 0.000 0.459 62 G N 1.465 110.313 108.800 0.080 0.000 2.318 62 G HA2 -0.047 3.914 3.960 0.001 0.000 0.172 62 G HA3 -0.047 3.914 3.960 0.001 0.000 0.172 62 G C 0.315 175.224 174.900 0.015 0.000 1.002 62 G CA -0.467 44.657 45.100 0.041 0.000 0.697 62 G HN 1.013 nan 8.290 nan 0.000 0.483 63 G N -0.962 107.863 108.800 0.041 0.000 2.368 63 G HA2 0.690 4.651 3.960 0.001 0.000 0.269 63 G HA3 0.690 4.651 3.960 0.001 0.000 0.269 63 G C -0.969 173.986 174.900 0.092 0.000 1.291 63 G CA 0.355 45.439 45.100 -0.027 0.000 0.903 63 G HN 1.844 nan 8.290 nan 0.000 0.483 64 Y N -2.449 117.872 120.300 0.035 0.000 2.689 64 Y HA 0.922 5.473 4.550 0.001 0.000 0.333 64 Y C -0.448 175.481 175.900 0.049 0.000 1.208 64 Y CA -1.443 56.689 58.100 0.053 0.000 1.055 64 Y CB 1.191 39.662 38.460 0.018 0.000 1.304 64 Y HN 2.045 nan 8.280 nan 0.000 0.455 65 A N 1.919 125.000 122.820 0.434 0.000 2.513 65 A HA 0.839 5.160 4.320 0.001 0.000 0.296 65 A C -1.480 176.287 177.584 0.304 0.000 1.052 65 A CA -1.050 51.184 52.037 0.329 0.000 0.714 65 A CB 1.557 20.754 19.000 0.328 0.000 1.279 65 A HN 1.049 nan 8.150 nan 0.000 0.397 66 R N 1.446 122.118 120.500 0.287 0.000 2.795 66 R HA 0.794 5.135 4.340 0.001 0.000 0.275 66 R C -0.913 175.676 176.300 0.481 0.000 0.981 66 R CA -0.758 55.543 56.100 0.334 0.000 0.917 66 R CB 1.979 32.466 30.300 0.312 0.000 1.202 66 R HN 0.820 nan 8.270 nan 0.000 0.469 67 E N 0.994 121.477 120.200 0.472 0.000 2.343 67 E HA 0.522 4.873 4.350 0.001 0.000 0.270 67 E C -1.359 175.392 176.600 0.250 0.000 0.895 67 E CA -1.205 55.482 56.400 0.478 0.000 0.767 67 E CB 2.573 32.493 29.700 0.366 0.000 1.248 67 E HN 0.251 nan 8.360 nan 0.000 0.440 68 V N 2.005 121.994 119.914 0.126 0.000 2.376 68 V HA 0.431 4.552 4.120 0.001 0.000 0.287 68 V C -0.011 176.089 176.094 0.011 0.000 1.015 68 V CA -0.073 62.159 62.300 -0.114 0.000 0.834 68 V CB 1.081 32.714 31.823 -0.317 0.000 1.001 68 V HN 0.954 nan 8.190 nan 0.000 0.428 69 T N 1.145 115.661 114.554 -0.064 0.000 2.724 69 T HA 0.384 4.735 4.350 0.001 0.000 0.274 69 T C 0.936 175.576 174.700 -0.100 0.000 0.984 69 T CA -0.039 62.053 62.100 -0.013 0.000 1.024 69 T CB 1.631 70.517 68.868 0.030 0.000 1.320 69 T HN 0.127 nan 8.240 nan 0.000 0.555 70 V N 0.787 120.657 119.914 -0.073 0.000 2.867 70 V HA -0.022 4.099 4.120 0.001 0.000 0.260 70 V C 2.470 178.486 176.094 -0.130 0.000 1.099 70 V CA 1.568 63.802 62.300 -0.110 0.000 1.122 70 V CB -0.997 30.777 31.823 -0.082 0.000 0.708 70 V HN 0.773 nan 8.190 nan 0.000 0.490 71 R N -0.664 119.759 120.500 -0.127 0.000 2.276 71 R HA -0.019 4.322 4.340 0.001 0.000 0.203 71 R C 1.835 178.017 176.300 -0.196 0.000 1.017 71 R CA 1.070 57.092 56.100 -0.130 0.000 1.010 71 R CB 0.106 30.345 30.300 -0.103 0.000 0.900 71 R HN 0.492 nan 8.270 nan 0.000 0.469 72 E N -0.318 119.687 120.200 -0.326 0.000 2.256 72 E HA 0.086 4.436 4.350 0.001 0.000 0.198 72 E C -0.427 175.817 176.600 -0.593 0.000 0.908 72 E CA 0.340 56.346 56.400 -0.657 0.000 0.915 72 E CB 0.486 29.502 29.700 -1.141 0.000 0.890 72 E HN -0.078 nan 8.360 nan 0.000 0.484 73 L N 1.770 122.751 121.223 -0.403 0.000 2.408 73 L HA 0.390 4.730 4.340 0.001 0.000 0.257 73 L C -2.372 174.373 176.870 -0.209 0.000 1.053 73 L CA -2.118 52.578 54.840 -0.239 0.000 0.922 73 L CB 1.379 43.320 42.059 -0.197 0.000 1.261 73 L HN -0.123 nan 8.230 nan 0.000 0.458 74 P HA -0.191 nan 4.420 nan 0.000 0.217 74 P C 1.614 178.797 177.300 -0.195 0.000 1.148 74 P CA 1.092 64.105 63.100 -0.146 0.000 0.828 74 P CB 0.271 31.915 31.700 -0.094 0.000 0.783 75 I N -1.159 119.261 120.570 -0.250 0.000 2.493 75 I HA -0.094 4.077 4.170 0.001 0.000 0.254 75 I C 0.944 176.660 176.117 -0.668 0.000 1.160 75 I CA 1.211 62.302 61.300 -0.348 0.000 1.445 75 I CB -0.471 37.353 38.000 -0.293 0.000 1.086 75 I HN -0.201 nan 8.210 nan 0.000 0.433 76 S N 0.776 116.026 115.700 -0.751 0.000 3.363 76 S HA 0.147 4.618 4.470 0.001 0.000 0.267 76 S C 1.065 175.492 174.600 -0.288 0.000 1.288 76 S CA -0.359 57.369 58.200 -0.786 0.000 0.948 76 S CB -0.479 62.442 63.200 -0.464 0.000 1.397 76 S HN 0.406 nan 8.310 nan 0.000 0.493 77 E N 2.007 122.071 120.200 -0.226 0.000 2.385 77 E HA -0.050 4.301 4.350 0.001 0.000 0.194 77 E C 1.437 178.020 176.600 -0.029 0.000 1.013 77 E CA 0.333 56.672 56.400 -0.102 0.000 0.866 77 E CB 0.102 29.750 29.700 -0.087 0.000 0.832 77 E HN 0.768 nan 8.360 nan 0.000 0.500 78 N N 0.429 119.133 118.700 0.006 0.000 2.282 78 N HA 0.023 4.764 4.740 0.001 0.000 0.185 78 N C 0.179 175.709 175.510 0.035 0.000 1.099 78 N CA 0.200 53.282 53.050 0.054 0.000 0.878 78 N CB 0.543 39.100 38.487 0.116 0.000 0.993 78 N HN 0.030 nan 8.380 nan 0.000 0.481 79 L N 0.209 121.439 121.223 0.012 0.000 2.422 79 L HA 0.803 5.143 4.340 0.001 0.000 0.264 79 L C -0.907 175.874 176.870 -0.149 0.000 0.984 79 L CA -0.988 53.773 54.840 -0.132 0.000 0.819 79 L CB 2.267 44.159 42.059 -0.278 0.000 1.330 79 L HN 0.068 nan 8.230 nan 0.000 0.410 80 A N 1.447 124.157 122.820 -0.183 0.000 2.527 80 A HA 0.923 5.244 4.320 0.001 0.000 0.293 80 A C -1.111 176.401 177.584 -0.120 0.000 1.117 80 A CA -0.549 51.462 52.037 -0.042 0.000 0.723 80 A CB 2.249 21.318 19.000 0.115 0.000 1.313 80 A HN 0.513 nan 8.150 nan 0.000 0.411 81 S N -0.697 115.063 115.700 0.100 0.000 2.564 81 S HA 0.712 5.183 4.470 0.001 0.000 0.274 81 S C -1.682 173.175 174.600 0.428 0.000 1.124 81 S CA -0.378 57.926 58.200 0.173 0.000 0.869 81 S CB 1.610 64.990 63.200 0.301 0.000 1.105 81 S HN 1.195 nan 8.310 nan 0.000 0.472 82 V N 3.888 124.025 119.914 0.371 0.000 2.588 82 V HA 0.532 4.652 4.120 0.001 0.000 0.304 82 V C -0.643 175.505 176.094 0.090 0.000 1.042 82 V CA -0.952 61.572 62.300 0.373 0.000 0.877 82 V CB 1.897 33.979 31.823 0.432 0.000 0.996 82 V HN 0.878 nan 8.190 nan 0.000 0.425 83 N N 4.785 123.409 118.700 -0.128 0.000 2.485 83 N HA 0.479 5.220 4.740 0.001 0.000 0.243 83 N C -0.828 174.545 175.510 -0.229 0.000 0.987 83 N CA -0.245 52.543 53.050 -0.438 0.000 0.940 83 N CB 1.160 39.080 38.487 -0.946 0.000 1.122 83 N HN 0.796 nan 8.380 nan 0.000 0.509 84 M N 2.949 122.282 119.600 -0.443 0.000 2.436 84 M HA 0.519 5.000 4.480 0.001 0.000 0.331 84 M C -0.916 174.889 176.300 -0.826 0.000 1.135 84 M CA -0.772 54.196 55.300 -0.554 0.000 0.987 84 M CB 1.169 33.421 32.600 -0.581 0.000 1.687 84 M HN 0.293 nan 8.290 nan 0.000 0.445 85 R N 4.735 124.797 120.500 -0.729 0.000 2.532 85 R HA 0.647 4.988 4.340 0.001 0.000 0.297 85 R C -2.234 173.811 176.300 -0.425 0.000 0.984 85 R CA -0.419 55.242 56.100 -0.732 0.000 0.884 85 R CB 1.398 30.804 30.300 -1.490 0.000 1.182 85 R HN 0.836 nan 8.270 nan 0.000 0.442 86 L N 3.640 124.769 121.223 -0.158 0.000 2.365 86 L HA 0.536 4.877 4.340 0.001 0.000 0.273 86 L C 0.320 177.187 176.870 -0.004 0.000 1.000 86 L CA -0.904 53.913 54.840 -0.039 0.000 0.819 86 L CB 2.393 44.505 42.059 0.088 0.000 1.284 86 L HN 0.368 nan 8.230 nan 0.000 0.418 87 K N 2.316 122.710 120.400 -0.011 0.000 2.102 87 K HA 0.326 4.646 4.320 0.001 0.000 0.244 87 K C -2.392 174.220 176.600 0.020 0.000 1.021 87 K CA -1.589 54.708 56.287 0.016 0.000 0.913 87 K CB 0.256 32.765 32.500 0.015 0.000 1.062 87 K HN 0.240 nan 8.250 nan 0.000 0.485 88 P HA -0.091 nan 4.420 nan 0.000 0.261 88 P C 0.419 177.715 177.300 -0.007 0.000 1.183 88 P CA 1.177 64.287 63.100 0.016 0.000 0.761 88 P CB 0.336 32.050 31.700 0.023 0.000 0.785 89 G N 2.548 111.334 108.800 -0.023 0.000 2.234 89 G HA2 -0.276 3.685 3.960 0.001 0.000 0.260 89 G HA3 -0.276 3.685 3.960 0.001 0.000 0.260 89 G C 0.521 175.365 174.900 -0.092 0.000 0.987 89 G CA 0.053 45.124 45.100 -0.048 0.000 0.625 89 G HN 0.853 nan 8.290 nan 0.000 0.532 90 A N 0.082 122.850 122.820 -0.085 0.000 2.498 90 A HA 0.599 4.920 4.320 0.001 0.000 0.239 90 A C 0.420 177.870 177.584 -0.223 0.000 1.068 90 A CA 0.524 52.472 52.037 -0.149 0.000 0.766 90 A CB 0.185 19.137 19.000 -0.080 0.000 1.003 90 A HN 0.847 nan 8.150 nan 0.000 0.497 91 I N 1.476 121.772 120.570 -0.456 0.000 2.441 91 I HA 0.377 4.547 4.170 0.001 0.000 0.295 91 I C 0.319 176.221 176.117 -0.357 0.000 0.994 91 I CA -0.772 60.231 61.300 -0.494 0.000 1.144 91 I CB 1.804 39.276 38.000 -0.881 0.000 1.314 91 I HN 0.716 nan 8.210 nan 0.000 0.445 92 R N 6.114 126.537 120.500 -0.128 0.000 2.205 92 R HA 0.166 4.506 4.340 0.001 0.000 0.342 92 R C -0.079 176.259 176.300 0.064 0.000 1.058 92 R CA -0.337 55.734 56.100 -0.049 0.000 0.904 92 R CB 0.297 30.648 30.300 0.085 0.000 1.089 92 R HN 0.594 nan 8.270 nan 0.000 0.471 93 E N 3.926 124.214 120.200 0.146 0.000 2.653 93 E HA -0.133 4.217 4.350 0.001 0.000 0.264 93 E C -0.466 176.318 176.600 0.307 0.000 0.949 93 E CA 0.072 56.660 56.400 0.314 0.000 0.953 93 E CB 0.493 30.396 29.700 0.339 0.000 0.925 93 E HN 0.591 nan 8.360 nan 0.000 0.475 94 L N 6.028 127.388 121.223 0.229 0.000 2.640 94 L HA -0.064 4.277 4.340 0.001 0.000 0.280 94 L C 0.579 177.565 176.870 0.192 0.000 1.229 94 L CA 0.847 55.761 54.840 0.123 0.000 0.919 94 L CB -0.216 41.910 42.059 0.112 0.000 1.168 94 L HN 0.605 nan 8.230 nan 0.000 0.496 95 H N 1.906 120.936 119.070 -0.067 0.000 2.902 95 H HA 0.483 5.040 4.556 0.001 0.000 0.297 95 H C -1.624 173.606 175.328 -0.164 0.000 1.406 95 H CA -1.146 54.868 56.048 -0.057 0.000 1.134 95 H CB 1.044 30.732 29.762 -0.122 0.000 1.833 95 H HN 0.610 nan 8.280 nan 0.000 0.527 96 W N 0.240 121.373 121.300 -0.278 0.000 3.074 96 W HA 0.646 5.306 4.660 0.001 0.000 0.332 96 W C -1.959 174.510 176.519 -0.082 0.000 1.253 96 W CA -0.849 56.260 57.345 -0.392 0.000 1.180 96 W CB 0.725 30.051 29.460 -0.222 0.000 1.445 96 W HN 0.950 nan 8.180 nan 0.000 0.573 97 H N -1.054 118.320 119.070 0.507 0.000 2.966 97 H HA 0.492 5.049 4.556 0.002 0.000 0.330 97 H C 0.311 175.903 175.328 0.440 0.000 1.292 97 H CA -1.353 54.954 56.048 0.431 0.000 1.127 97 H CB 1.514 31.527 29.762 0.418 0.000 1.863 97 H HN 0.447 nan 8.280 nan 0.000 0.543 98 K N -0.211 120.504 120.400 0.525 0.000 2.217 98 K HA 0.002 4.323 4.320 0.001 0.000 0.202 98 K C -0.333 176.469 176.600 0.336 0.000 1.051 98 K CA 0.980 57.491 56.287 0.372 0.000 0.952 98 K CB 0.088 32.758 32.500 0.283 0.000 0.736 98 K HN 0.493 nan 8.250 nan 0.000 0.453 99 E N 0.371 120.805 120.200 0.389 0.000 2.283 99 E HA 0.341 4.692 4.350 0.001 0.000 0.267 99 E C -0.737 176.078 176.600 0.358 0.000 1.045 99 E CA -0.439 56.158 56.400 0.328 0.000 0.884 99 E CB 1.156 31.046 29.700 0.317 0.000 1.106 99 E HN 0.155 nan 8.360 nan 0.000 0.408 100 A N 1.603 124.553 122.820 0.216 0.000 2.351 100 A HA 0.318 4.639 4.320 0.001 0.000 0.257 100 A C -0.242 177.347 177.584 0.009 0.000 1.087 100 A CA -0.214 51.859 52.037 0.059 0.000 0.798 100 A CB 0.413 19.401 19.000 -0.020 0.000 1.033 100 A HN 0.645 nan 8.150 nan 0.000 0.488 101 E N 0.606 120.710 120.200 -0.161 0.000 2.234 101 E HA 0.445 4.796 4.350 0.001 0.000 0.266 101 E C -1.769 174.656 176.600 -0.291 0.000 0.877 101 E CA -0.469 55.788 56.400 -0.239 0.000 0.758 101 E CB 1.206 30.964 29.700 0.097 0.000 1.170 101 E HN 0.677 nan 8.360 nan 0.000 0.415 102 W N 4.010 125.036 121.300 -0.458 0.000 2.761 102 W HA 0.725 5.386 4.660 0.002 0.000 0.340 102 W C -1.637 174.579 176.519 -0.507 0.000 1.072 102 W CA -0.358 56.808 57.345 -0.298 0.000 1.215 102 W CB 1.775 31.175 29.460 -0.099 0.000 1.420 102 W HN 0.601 nan 8.180 nan 0.000 0.519 103 A N 3.973 125.973 122.820 -1.367 0.000 2.572 103 A HA 0.651 4.972 4.320 0.001 0.000 0.295 103 A C -2.664 173.955 177.584 -1.608 0.000 1.072 103 A CA -0.608 50.554 52.037 -1.458 0.000 0.691 103 A CB 1.445 19.162 19.000 -2.139 0.000 1.291 103 A HN 0.801 nan 8.150 nan 0.000 0.404 104 Y N 1.399 121.074 120.300 -1.042 0.000 2.346 104 Y HA 0.617 5.167 4.550 0.001 0.000 0.332 104 Y C -0.485 175.200 175.900 -0.359 0.000 0.985 104 Y CA -1.031 56.681 58.100 -0.648 0.000 1.112 104 Y CB 1.909 40.225 38.460 -0.240 0.000 1.170 104 Y HN 0.710 nan 8.280 nan 0.000 0.447 105 M N 7.768 126.874 119.600 -0.825 0.000 2.156 105 M HA 0.329 4.810 4.480 0.001 0.000 0.345 105 M C -0.624 175.353 176.300 -0.538 0.000 1.398 105 M CA 0.656 55.659 55.300 -0.495 0.000 1.148 105 M CB -0.139 32.223 32.600 -0.397 0.000 1.663 105 M HN 0.823 nan 8.290 nan 0.000 0.464 106 I N 4.005 124.493 120.570 -0.136 0.000 2.494 106 I HA 0.009 4.180 4.170 0.001 0.000 0.250 106 I C -0.125 176.058 176.117 0.110 0.000 1.112 106 I CA 0.410 61.745 61.300 0.059 0.000 1.438 106 I CB 0.016 38.165 38.000 0.248 0.000 1.111 106 I HN 0.625 nan 8.210 nan 0.000 0.431 107 Y N 0.935 121.238 120.300 0.005 0.000 2.492 107 Y HA 0.574 5.124 4.550 0.001 0.000 0.346 107 Y C 0.321 176.231 175.900 0.016 0.000 0.997 107 Y CA -0.286 57.822 58.100 0.014 0.000 1.025 107 Y CB 1.237 39.717 38.460 0.033 0.000 1.263 107 Y HN 0.249 nan 8.280 nan 0.000 0.454 108 G N 2.844 111.003 108.800 -1.069 0.000 2.512 108 G HA2 0.172 4.133 3.960 0.001 0.000 0.254 108 G HA3 0.172 4.133 3.960 0.001 0.000 0.254 108 G C -0.647 174.057 174.900 -0.327 0.000 1.199 108 G CA 0.061 44.686 45.100 -0.792 0.000 0.941 108 G HN 1.890 nan 8.290 nan 0.000 0.569 109 S N -1.527 114.057 115.700 -0.194 0.000 2.587 109 S HA 0.991 5.462 4.470 0.001 0.000 0.269 109 S C -0.474 174.089 174.600 -0.062 0.000 1.154 109 S CA 0.473 58.602 58.200 -0.118 0.000 0.824 109 S CB 1.325 64.452 63.200 -0.122 0.000 1.118 109 S HN 2.772 nan 8.310 nan 0.000 0.462 110 A N 0.622 123.409 122.820 -0.055 0.000 2.601 110 A HA 0.858 5.179 4.320 0.001 0.000 0.291 110 A C -1.207 176.329 177.584 -0.080 0.000 1.075 110 A CA -0.884 51.118 52.037 -0.057 0.000 0.671 110 A CB 1.500 20.463 19.000 -0.061 0.000 1.277 110 A HN 1.031 nan 8.150 nan 0.000 0.417 111 R N 0.407 120.847 120.500 -0.100 0.000 2.393 111 R HA 0.665 5.005 4.340 0.001 0.000 0.310 111 R C -0.778 175.425 176.300 -0.162 0.000 0.968 111 R CA -0.355 55.676 56.100 -0.115 0.000 0.867 111 R CB 1.366 31.605 30.300 -0.102 0.000 1.124 111 R HN 1.149 nan 8.270 nan 0.000 0.450 112 V N 0.535 120.343 119.914 -0.176 0.000 2.815 112 V HA 0.779 4.900 4.120 0.001 0.000 0.314 112 V C -0.375 175.621 176.094 -0.162 0.000 1.064 112 V CA -0.576 61.589 62.300 -0.225 0.000 0.952 112 V CB 1.755 33.399 31.823 -0.297 0.000 1.020 112 V HN 0.935 nan 8.190 nan 0.000 0.439 113 T N 1.342 115.773 114.554 -0.206 0.000 2.906 113 T HA 0.834 5.185 4.350 0.001 0.000 0.295 113 T C -0.875 173.652 174.700 -0.288 0.000 1.061 113 T CA -0.579 61.417 62.100 -0.174 0.000 1.000 113 T CB 1.806 70.589 68.868 -0.141 0.000 1.103 113 T HN 1.404 nan 8.240 nan 0.000 0.486 114 I N 1.569 122.007 120.570 -0.220 0.000 2.753 114 I HA 0.605 4.775 4.170 0.001 0.000 0.291 114 I C -1.953 174.045 176.117 -0.198 0.000 1.425 114 I CA -0.967 60.114 61.300 -0.366 0.000 1.039 114 I CB 1.960 39.529 38.000 -0.719 0.000 1.349 114 I HN 0.667 nan 8.210 nan 0.000 0.430 115 V N 5.990 125.787 119.914 -0.196 0.000 2.540 115 V HA 0.406 4.527 4.120 0.001 0.000 0.302 115 V C -0.625 175.403 176.094 -0.109 0.000 1.035 115 V CA -0.513 61.729 62.300 -0.097 0.000 0.873 115 V CB 1.883 33.661 31.823 -0.076 0.000 0.992 115 V HN 0.846 nan 8.190 nan 0.000 0.428 116 D N 3.182 123.566 120.400 -0.027 0.000 2.478 116 D HA 0.128 4.768 4.640 0.001 0.000 0.269 116 D C 1.089 177.382 176.300 -0.012 0.000 1.232 116 D CA -0.525 53.476 54.000 0.001 0.000 1.059 116 D CB 0.494 41.367 40.800 0.122 0.000 1.104 116 D HN 0.565 nan 8.370 nan 0.000 0.566 117 E N -0.251 119.950 120.200 0.001 0.000 2.515 117 E HA -0.184 4.167 4.350 0.001 0.000 0.201 117 E C 0.401 176.997 176.600 -0.006 0.000 1.071 117 E CA 0.786 57.175 56.400 -0.019 0.000 0.880 117 E CB -0.294 29.400 29.700 -0.011 0.000 0.828 117 E HN 0.518 nan 8.360 nan 0.000 0.540 118 K N -0.074 120.334 120.400 0.014 0.000 2.399 118 K HA 0.217 4.538 4.320 0.001 0.000 0.204 118 K C 0.632 177.240 176.600 0.013 0.000 1.023 118 K CA 0.319 56.615 56.287 0.015 0.000 1.127 118 K CB 0.780 33.297 32.500 0.029 0.000 0.856 118 K HN 0.236 nan 8.250 nan 0.000 0.514 119 G N 2.359 111.163 108.800 0.006 0.000 2.143 119 G HA2 -0.306 3.654 3.960 0.001 0.000 0.248 119 G HA3 -0.306 3.654 3.960 0.001 0.000 0.248 119 G C -0.298 174.615 174.900 0.021 0.000 0.991 119 G CA -0.044 45.058 45.100 0.004 0.000 0.689 119 G HN 0.270 nan 8.290 nan 0.000 0.522 120 R N 0.539 121.065 120.500 0.043 0.000 2.368 120 R HA 0.582 4.923 4.340 0.001 0.000 0.302 120 R C 0.496 176.852 176.300 0.093 0.000 1.002 120 R CA 0.254 56.397 56.100 0.072 0.000 0.929 120 R CB 1.424 31.782 30.300 0.097 0.000 1.073 120 R HN 0.442 nan 8.270 nan 0.000 0.464 121 S N 2.329 118.086 115.700 0.095 0.000 2.549 121 S HA 0.585 5.055 4.470 0.001 0.000 0.297 121 S C -0.813 173.911 174.600 0.207 0.000 1.115 121 S CA -0.755 57.506 58.200 0.102 0.000 1.059 121 S CB 1.290 64.509 63.200 0.032 0.000 1.046 121 S HN 0.531 nan 8.310 nan 0.000 0.506 122 F N 2.176 122.156 119.950 0.049 0.000 2.536 122 F HA 0.703 5.231 4.527 0.002 0.000 0.322 122 F C -1.445 174.380 175.800 0.042 0.000 1.144 122 F CA -0.995 57.074 58.000 0.115 0.000 0.924 122 F CB 1.036 40.232 39.000 0.326 0.000 1.181 122 F HN 0.625 nan 8.300 nan 0.000 0.438 123 I N 5.306 125.562 120.570 -0.524 0.000 2.498 123 I HA 0.458 4.629 4.170 0.001 0.000 0.290 123 I C -1.441 174.322 176.117 -0.590 0.000 1.032 123 I CA -0.601 60.458 61.300 -0.401 0.000 1.073 123 I CB 2.149 40.016 38.000 -0.221 0.000 1.251 123 I HN 0.538 nan 8.210 nan 0.000 0.426 124 D N 3.458 123.626 120.400 -0.387 0.000 2.623 124 D HA 0.336 4.977 4.640 0.001 0.000 0.241 124 D C -1.811 174.419 176.300 -0.116 0.000 1.241 124 D CA -0.381 53.451 54.000 -0.279 0.000 0.788 124 D CB 2.248 42.869 40.800 -0.298 0.000 1.413 124 D HN 0.258 nan 8.370 nan 0.000 0.429 125 D N 0.383 120.733 120.400 -0.084 0.000 2.177 125 D HA 0.471 5.112 4.640 0.001 0.000 0.247 125 D C -0.542 175.742 176.300 -0.028 0.000 1.063 125 D CA -0.214 53.750 54.000 -0.061 0.000 0.867 125 D CB 1.950 42.708 40.800 -0.070 0.000 1.168 125 D HN 0.032 nan 8.370 nan 0.000 0.445 126 V N 1.582 121.486 119.914 -0.018 0.000 2.487 126 V HA 0.713 4.834 4.120 0.001 0.000 0.298 126 V C 0.778 176.828 176.094 -0.074 0.000 1.028 126 V CA -0.641 61.653 62.300 -0.010 0.000 0.860 126 V CB 1.745 33.636 31.823 0.113 0.000 0.991 126 V HN 0.605 nan 8.190 nan 0.000 0.427 127 G N 2.692 111.421 108.800 -0.118 0.000 2.820 127 G HA2 0.567 4.528 3.960 0.001 0.000 0.291 127 G HA3 0.567 4.528 3.960 0.001 0.000 0.291 127 G C -0.547 174.225 174.900 -0.214 0.000 1.323 127 G CA -0.704 44.304 45.100 -0.153 0.000 1.055 127 G HN 0.663 nan 8.290 nan 0.000 0.520 128 E N -0.492 119.578 120.200 -0.216 0.000 2.480 128 E HA 0.325 4.676 4.350 0.001 0.000 0.258 128 E C 1.124 177.553 176.600 -0.285 0.000 0.984 128 E CA 1.305 57.554 56.400 -0.252 0.000 0.930 128 E CB 0.512 30.110 29.700 -0.169 0.000 0.936 128 E HN 1.024 nan 8.360 nan 0.000 0.466 129 G N 3.254 111.770 108.800 -0.473 0.000 2.175 129 G HA2 -0.205 3.756 3.960 0.001 0.000 0.244 129 G HA3 -0.205 3.756 3.960 0.001 0.000 0.244 129 G C -0.126 174.574 174.900 -0.334 0.000 0.982 129 G CA -0.035 44.841 45.100 -0.374 0.000 0.641 129 G HN 0.548 nan 8.290 nan 0.000 0.527 130 D N 0.226 120.393 120.400 -0.387 0.000 2.340 130 D HA 0.749 5.390 4.640 0.001 0.000 0.251 130 D C 0.897 176.978 176.300 -0.364 0.000 1.080 130 D CA -0.056 53.771 54.000 -0.288 0.000 0.971 130 D CB 1.413 42.089 40.800 -0.207 0.000 1.137 130 D HN 0.351 nan 8.370 nan 0.000 0.475 131 L N -0.380 120.669 121.223 -0.290 0.000 2.283 131 L HA 0.736 5.077 4.340 0.001 0.000 0.259 131 L C -1.075 175.680 176.870 -0.192 0.000 1.027 131 L CA -1.183 53.391 54.840 -0.443 0.000 0.828 131 L CB 1.597 43.427 42.059 -0.381 0.000 1.380 131 L HN 0.522 nan 8.230 nan 0.000 0.425 132 W N 0.337 121.427 121.300 -0.349 0.000 3.118 132 W HA 0.676 5.336 4.660 0.000 0.000 0.328 132 W C -2.200 174.180 176.519 -0.232 0.000 1.239 132 W CA -1.499 55.736 57.345 -0.183 0.000 1.176 132 W CB 0.514 29.724 29.460 -0.418 0.000 1.433 132 W HN 0.395 nan 8.180 nan 0.000 0.562 133 Y N 3.223 123.611 120.300 0.146 0.000 2.361 133 Y HA 0.635 5.185 4.550 0.000 0.000 0.328 133 Y C -2.027 173.954 175.900 0.135 0.000 1.044 133 Y CA -1.734 56.370 58.100 0.008 0.000 1.085 133 Y CB 1.045 39.438 38.460 -0.111 0.000 1.194 133 Y HN 0.336 nan 8.280 nan 0.000 0.438 134 F N 7.496 127.292 119.950 -0.257 0.000 2.375 134 F HA 0.529 5.056 4.527 0.000 0.000 0.361 134 F C -2.307 173.269 175.800 -0.372 0.000 1.117 134 F CA -3.494 54.333 58.000 -0.289 0.000 1.037 134 F CB 1.115 39.826 39.000 -0.483 0.000 1.192 134 F HN 0.375 nan 8.300 nan 0.000 0.452 135 P HA 0.024 nan 4.420 nan 0.000 0.267 135 P C -0.214 177.169 177.300 0.138 0.000 1.200 135 P CA -0.123 63.055 63.100 0.129 0.000 0.772 135 P CB 0.464 32.335 31.700 0.285 0.000 0.855 136 S N 1.656 117.457 115.700 0.167 0.000 2.558 136 S HA 0.249 4.720 4.470 0.001 0.000 0.293 136 S C 1.462 176.186 174.600 0.206 0.000 1.292 136 S CA 0.324 58.662 58.200 0.231 0.000 1.063 136 S CB -0.723 62.602 63.200 0.210 0.000 0.831 136 S HN 1.010 nan 8.310 nan 0.000 0.499 137 G N 2.005 110.970 108.800 0.274 0.000 2.245 137 G HA2 -0.243 3.718 3.960 0.001 0.000 0.264 137 G HA3 -0.243 3.718 3.960 0.001 0.000 0.264 137 G C 0.026 174.951 174.900 0.042 0.000 0.985 137 G CA 0.319 45.530 45.100 0.185 0.000 0.625 137 G HN 0.824 nan 8.290 nan 0.000 0.536 138 L N 3.028 124.290 121.223 0.066 0.000 2.290 138 L HA 0.361 4.702 4.340 0.001 0.000 0.284 138 L C -1.463 175.393 176.870 -0.024 0.000 1.078 138 L CA -1.918 52.893 54.840 -0.048 0.000 0.815 138 L CB 0.933 42.936 42.059 -0.094 0.000 1.162 138 L HN 0.024 nan 8.230 nan 0.000 0.435 139 P HA 0.110 nan 4.420 nan 0.000 0.271 139 P C -1.177 175.943 177.300 -0.300 0.000 1.216 139 P CA 0.308 63.297 63.100 -0.186 0.000 0.771 139 P CB 0.762 32.362 31.700 -0.166 0.000 0.864 140 H N -0.025 118.739 119.070 -0.509 0.000 2.960 140 H HA 0.703 5.260 4.556 0.001 0.000 0.323 140 H C -1.112 173.923 175.328 -0.488 0.000 1.326 140 H CA -0.985 54.661 56.048 -0.671 0.000 1.124 140 H CB 1.270 30.280 29.762 -1.253 0.000 1.853 140 H HN 0.530 nan 8.280 nan 0.000 0.536 141 S N 0.151 115.695 115.700 -0.259 0.000 2.596 141 S HA 0.726 5.197 4.470 0.001 0.000 0.270 141 S C -1.268 173.273 174.600 -0.098 0.000 1.155 141 S CA -0.902 57.236 58.200 -0.102 0.000 0.827 141 S CB 1.789 64.944 63.200 -0.075 0.000 1.130 141 S HN 0.611 nan 8.310 nan 0.000 0.467 142 I N 0.822 121.373 120.570 -0.031 0.000 2.569 142 I HA 0.532 4.703 4.170 0.001 0.000 0.290 142 I C -0.963 175.115 176.117 -0.065 0.000 1.088 142 I CA -0.381 60.863 61.300 -0.093 0.000 1.047 142 I CB 2.304 40.297 38.000 -0.012 0.000 1.237 142 I HN 0.796 nan 8.210 nan 0.000 0.421 143 Q N 4.724 124.469 119.800 -0.091 0.000 2.275 143 Q HA 0.717 5.058 4.340 0.001 0.000 0.266 143 Q C -1.119 174.848 176.000 -0.056 0.000 1.002 143 Q CA -0.632 55.119 55.803 -0.087 0.000 0.761 143 Q CB 2.209 30.882 28.738 -0.109 0.000 1.255 143 Q HN 0.841 nan 8.270 nan 0.000 0.446 144 A N 4.362 127.171 122.820 -0.019 0.000 2.445 144 A HA 0.371 4.692 4.320 0.001 0.000 0.242 144 A C -0.220 177.350 177.584 -0.023 0.000 1.075 144 A CA -0.153 51.888 52.037 0.007 0.000 0.777 144 A CB 0.282 19.312 19.000 0.050 0.000 1.013 144 A HN 0.853 nan 8.150 nan 0.000 0.493 145 L N 0.566 121.772 121.223 -0.028 0.000 2.891 145 L HA 0.253 4.594 4.340 0.001 0.000 0.216 145 L C 2.179 179.034 176.870 -0.025 0.000 1.209 145 L CA -0.540 54.277 54.840 -0.037 0.000 0.957 145 L CB -0.019 42.008 42.059 -0.053 0.000 1.876 145 L HN 0.968 nan 8.230 nan 0.000 0.532 146 E N 0.134 120.317 120.200 -0.027 0.000 2.267 146 E HA -0.233 4.118 4.350 0.001 0.000 0.197 146 E C 0.990 177.591 176.600 0.002 0.000 0.998 146 E CA 1.504 57.897 56.400 -0.012 0.000 0.830 146 E CB -0.210 29.481 29.700 -0.015 0.000 0.751 146 E HN 0.504 nan 8.360 nan 0.000 0.491 147 E N 0.803 120.992 120.200 -0.018 0.000 2.472 147 E HA 0.204 4.555 4.350 0.001 0.000 0.196 147 E C 1.000 177.656 176.600 0.094 0.000 1.033 147 E CA 0.643 57.048 56.400 0.008 0.000 0.886 147 E CB 0.508 30.133 29.700 -0.124 0.000 0.944 147 E HN 0.405 nan 8.360 nan 0.000 0.492 148 G N 1.085 109.923 108.800 0.063 0.000 2.681 148 G HA2 0.050 4.010 3.960 0.001 0.000 0.220 148 G HA3 0.050 4.010 3.960 0.001 0.000 0.220 148 G C -0.581 174.397 174.900 0.130 0.000 1.353 148 G CA -0.369 44.806 45.100 0.124 0.000 0.872 148 G HN 0.568 nan 8.290 nan 0.000 0.557 149 A N -0.656 122.297 122.820 0.222 0.000 2.594 149 A HA 0.864 5.185 4.320 0.001 0.000 0.296 149 A C -0.669 177.105 177.584 0.317 0.000 1.061 149 A CA 0.809 53.014 52.037 0.279 0.000 0.689 149 A CB 1.887 21.063 19.000 0.293 0.000 1.280 149 A HN 1.722 nan 8.150 nan 0.000 0.406 150 E N 0.739 121.154 120.200 0.358 0.000 2.287 150 E HA 0.681 5.032 4.350 0.001 0.000 0.274 150 E C -1.428 175.254 176.600 0.136 0.000 0.896 150 E CA -0.465 55.971 56.400 0.060 0.000 0.788 150 E CB 1.112 30.837 29.700 0.043 0.000 1.244 150 E HN 0.823 nan 8.360 nan 0.000 0.408 151 F N 2.023 121.945 119.950 -0.047 0.000 2.664 151 F HA 0.669 5.196 4.527 0.001 0.000 0.317 151 F C -1.715 173.998 175.800 -0.145 0.000 1.108 151 F CA -1.469 56.459 58.000 -0.120 0.000 0.957 151 F CB 0.872 39.738 39.000 -0.223 0.000 1.365 151 F HN 0.295 nan 8.300 nan 0.000 0.475 152 L N 2.538 123.773 121.223 0.021 0.000 2.313 152 L HA 0.666 5.007 4.340 0.001 0.000 0.283 152 L C -1.396 175.455 176.870 -0.032 0.000 1.013 152 L CA -0.493 54.303 54.840 -0.073 0.000 0.816 152 L CB 1.366 43.385 42.059 -0.067 0.000 1.236 152 L HN 0.670 nan 8.230 nan 0.000 0.419 153 L N 5.580 126.773 121.223 -0.050 0.000 2.325 153 L HA 0.720 5.061 4.340 0.001 0.000 0.278 153 L C -0.909 175.743 176.870 -0.364 0.000 1.023 153 L CA -0.952 53.758 54.840 -0.215 0.000 0.811 153 L CB 1.991 43.963 42.059 -0.144 0.000 1.249 153 L HN 0.306 nan 8.230 nan 0.000 0.431 154 V N 2.570 122.166 119.914 -0.530 0.000 2.577 154 V HA 0.461 4.582 4.120 0.001 0.000 0.303 154 V C -0.782 174.842 176.094 -0.783 0.000 1.042 154 V CA -0.483 61.460 62.300 -0.595 0.000 0.872 154 V CB 1.725 33.266 31.823 -0.470 0.000 0.998 154 V HN 0.374 nan 8.190 nan 0.000 0.423 155 F N 2.493 122.207 119.950 -0.395 0.000 2.480 155 F HA 0.441 4.968 4.527 0.001 0.000 0.329 155 F C 0.691 176.354 175.800 -0.229 0.000 1.091 155 F CA -1.118 56.668 58.000 -0.356 0.000 0.972 155 F CB 1.512 40.101 39.000 -0.685 0.000 1.150 155 F HN 0.662 nan 8.300 nan 0.000 0.467 156 D N 0.504 120.932 120.400 0.047 0.000 3.008 156 D HA 0.069 4.710 4.640 0.001 0.000 0.242 156 D C -0.728 175.617 176.300 0.075 0.000 1.222 156 D CA 0.142 54.163 54.000 0.035 0.000 0.883 156 D CB -0.259 40.577 40.800 0.060 0.000 1.110 156 D HN 0.363 nan 8.370 nan 0.000 0.455 157 D N -0.919 119.531 120.400 0.084 0.000 2.688 157 D HA 0.202 4.843 4.640 0.001 0.000 0.210 157 D C 1.127 177.481 176.300 0.090 0.000 1.333 157 D CA -0.604 53.452 54.000 0.094 0.000 0.920 157 D CB 1.424 42.302 40.800 0.130 0.000 1.554 157 D HN 0.083 nan 8.370 nan 0.000 0.579 158 G N 1.413 110.241 108.800 0.047 0.000 2.471 158 G HA2 -0.147 3.814 3.960 0.001 0.000 0.219 158 G HA3 -0.147 3.814 3.960 0.001 0.000 0.219 158 G C 1.071 175.999 174.900 0.046 0.000 1.125 158 G CA 0.462 45.580 45.100 0.030 0.000 0.775 158 G HN 0.421 nan 8.290 nan 0.000 0.548 159 S N 0.135 115.863 115.700 0.046 0.000 2.650 159 S HA 0.188 4.658 4.470 0.001 0.000 0.219 159 S C 0.469 175.084 174.600 0.025 0.000 0.960 159 S CA -0.836 57.374 58.200 0.017 0.000 0.925 159 S CB -0.284 62.912 63.200 -0.006 0.000 0.775 159 S HN 0.357 nan 8.310 nan 0.000 0.525 160 F N 3.905 123.807 119.950 -0.080 0.000 2.604 160 F HA 0.113 4.640 4.527 -0.001 0.000 0.390 160 F C 0.782 176.491 175.800 -0.152 0.000 1.053 160 F CA 0.319 58.232 58.000 -0.146 0.000 1.256 160 F CB 0.249 39.138 39.000 -0.185 0.000 0.996 160 F HN 0.204 nan 8.300 nan 0.000 0.564 161 S N 3.011 118.213 115.700 -0.829 0.000 2.873 161 S HA 0.275 4.746 4.470 0.001 0.000 0.303 161 S C 0.529 174.692 174.600 -0.728 0.000 1.222 161 S CA -0.296 57.535 58.200 -0.616 0.000 0.923 161 S CB 0.906 63.908 63.200 -0.329 0.000 1.286 161 S HN 0.666 nan 8.310 nan 0.000 0.571 162 E N 1.017 120.940 120.200 -0.462 0.000 2.204 162 E HA -0.100 4.251 4.350 0.001 0.000 0.194 162 E C 0.752 177.079 176.600 -0.455 0.000 0.989 162 E CA 1.091 57.240 56.400 -0.418 0.000 0.824 162 E CB -0.668 28.848 29.700 -0.307 0.000 0.756 162 E HN 0.509 nan 8.360 nan 0.000 0.477 163 N N 0.560 119.006 118.700 -0.423 0.000 2.449 163 N HA 0.049 4.790 4.740 0.001 0.000 0.191 163 N C 0.763 175.985 175.510 -0.480 0.000 1.161 163 N CA 0.358 53.153 53.050 -0.425 0.000 0.863 163 N CB 0.605 38.919 38.487 -0.288 0.000 0.980 163 N HN 0.115 nan 8.380 nan 0.000 0.458 164 S N -0.625 114.761 115.700 -0.524 0.000 2.492 164 S HA 0.074 4.545 4.470 0.001 0.000 0.218 164 S C 0.734 175.158 174.600 -0.293 0.000 1.016 164 S CA 0.249 58.215 58.200 -0.389 0.000 0.916 164 S CB 0.555 63.412 63.200 -0.572 0.000 0.791 164 S HN 0.178 nan 8.310 nan 0.000 0.513 165 T N 2.231 116.509 114.554 -0.460 0.000 2.797 165 T HA 0.568 4.919 4.350 0.001 0.000 0.279 165 T C -0.965 173.342 174.700 -0.654 0.000 0.991 165 T CA -0.304 61.628 62.100 -0.280 0.000 0.979 165 T CB 0.747 69.590 68.868 -0.042 0.000 0.943 165 T HN 0.035 nan 8.240 nan 0.000 0.444 166 F N 2.222 121.792 119.950 -0.634 0.000 2.402 166 F HA 0.467 4.994 4.527 -0.000 0.000 0.355 166 F C 0.579 175.969 175.800 -0.683 0.000 1.123 166 F CA -1.085 56.344 58.000 -0.951 0.000 1.021 166 F CB 1.452 39.178 39.000 -2.124 0.000 1.160 166 F HN 0.302 nan 8.300 nan 0.000 0.451 167 Q N 2.163 121.874 119.800 -0.147 0.000 2.235 167 Q HA 0.282 4.623 4.340 0.001 0.000 0.250 167 Q C 0.936 177.068 176.000 0.219 0.000 0.909 167 Q CA -0.465 55.383 55.803 0.076 0.000 0.910 167 Q CB 1.627 30.432 28.738 0.112 0.000 1.223 167 Q HN 0.740 nan 8.270 nan 0.000 0.432 168 L N 2.576 123.992 121.223 0.321 0.000 1.990 168 L HA -0.244 4.097 4.340 0.001 0.000 0.213 168 L C 1.770 178.835 176.870 0.326 0.000 1.072 168 L CA 2.892 57.981 54.840 0.415 0.000 0.755 168 L CB -1.070 41.173 42.059 0.308 0.000 0.889 168 L HN 0.973 nan 8.230 nan 0.000 0.432 169 T N -4.254 110.424 114.554 0.207 0.000 2.915 169 T HA -0.154 4.197 4.350 0.001 0.000 0.269 169 T C 1.699 176.512 174.700 0.188 0.000 1.071 169 T CA 1.098 63.283 62.100 0.142 0.000 1.132 169 T CB -0.621 68.280 68.868 0.054 0.000 0.878 169 T HN 0.444 nan 8.240 nan 0.000 0.479 170 D N -0.065 120.473 120.400 0.230 0.000 2.149 170 D HA -0.069 4.571 4.640 0.001 0.000 0.201 170 D C 1.542 178.103 176.300 0.434 0.000 0.972 170 D CA 0.585 54.752 54.000 0.279 0.000 0.835 170 D CB -0.419 40.471 40.800 0.151 0.000 0.966 170 D HN 0.460 nan 8.370 nan 0.000 0.476 171 W N 1.238 122.656 121.300 0.196 0.000 2.354 171 W HA -0.068 4.595 4.660 0.004 0.000 0.315 171 W C 1.931 178.576 176.519 0.209 0.000 1.206 171 W CA 1.069 58.553 57.345 0.232 0.000 1.290 171 W CB -0.956 28.684 29.460 0.300 0.000 1.152 171 W HN 0.027 nan 8.180 nan 0.000 0.489 172 L N 0.785 122.152 121.223 0.240 0.000 2.083 172 L HA -0.176 4.165 4.340 0.001 0.000 0.209 172 L C 2.627 179.528 176.870 0.051 0.000 1.083 172 L CA 1.490 56.345 54.840 0.026 0.000 0.752 172 L CB -1.327 40.734 42.059 0.003 0.000 0.899 172 L HN 0.019 nan 8.230 nan 0.000 0.433 173 A N -1.007 121.867 122.820 0.090 0.000 2.067 173 A HA -0.181 4.140 4.320 0.001 0.000 0.219 173 A C 1.212 178.652 177.584 -0.240 0.000 1.158 173 A CA 1.276 53.277 52.037 -0.059 0.000 0.661 173 A CB -0.668 18.299 19.000 -0.054 0.000 0.801 173 A HN 0.522 nan 8.150 nan 0.000 0.452 174 H N -0.957 118.184 119.070 0.117 0.000 2.475 174 H HA 0.301 4.859 4.556 0.003 0.000 0.276 174 H C -0.724 174.688 175.328 0.139 0.000 1.126 174 H CA 0.190 56.313 56.048 0.124 0.000 1.023 174 H CB 0.485 30.334 29.762 0.145 0.000 1.669 174 H HN 0.197 nan 8.280 nan 0.000 0.573 175 T N 1.589 116.223 114.554 0.133 0.000 2.824 175 T HA 0.288 4.639 4.350 0.001 0.000 0.282 175 T C -2.563 172.153 174.700 0.026 0.000 0.993 175 T CA -1.687 60.463 62.100 0.084 0.000 0.967 175 T CB 1.968 70.822 68.868 -0.022 0.000 0.960 175 T HN -0.045 nan 8.240 nan 0.000 0.441 176 P HA 0.092 nan 4.420 nan 0.000 0.262 176 P C 0.947 178.244 177.300 -0.005 0.000 1.182 176 P CA -0.252 62.854 63.100 0.010 0.000 0.761 176 P CB 0.612 32.321 31.700 0.015 0.000 0.795 177 K N 3.384 123.778 120.400 -0.009 0.000 2.074 177 K HA -0.211 4.109 4.320 0.001 0.000 0.209 177 K C 1.644 178.241 176.600 -0.004 0.000 1.048 177 K CA 1.966 58.247 56.287 -0.010 0.000 0.926 177 K CB -0.292 32.201 32.500 -0.013 0.000 0.713 177 K HN 0.678 nan 8.250 nan 0.000 0.444 178 E N 0.466 120.663 120.200 -0.004 0.000 2.204 178 E HA -0.114 4.237 4.350 0.001 0.000 0.195 178 E C 1.924 178.519 176.600 -0.008 0.000 0.990 178 E CA 1.060 57.458 56.400 -0.004 0.000 0.821 178 E CB -0.319 29.379 29.700 -0.004 0.000 0.750 178 E HN -0.045 nan 8.360 nan 0.000 0.477 179 V N 1.589 121.495 119.914 -0.013 0.000 2.407 179 V HA -0.184 3.937 4.120 0.001 0.000 0.245 179 V C 2.363 178.428 176.094 -0.048 0.000 1.041 179 V CA 1.305 63.587 62.300 -0.030 0.000 1.040 179 V CB -0.369 31.439 31.823 -0.026 0.000 0.671 179 V HN 0.272 nan 8.190 nan 0.000 0.455 180 I N 0.678 121.233 120.570 -0.025 0.000 2.179 180 I HA -0.240 3.930 4.170 0.001 0.000 0.242 180 I C 2.725 178.904 176.117 0.103 0.000 1.088 180 I CA 1.520 62.836 61.300 0.026 0.000 1.357 180 I CB -0.663 37.367 38.000 0.050 0.000 1.051 180 I HN 0.288 nan 8.210 nan 0.000 0.409 181 A N 0.957 123.813 122.820 0.060 0.000 1.883 181 A HA -0.224 4.097 4.320 0.001 0.000 0.217 181 A C 2.558 180.169 177.584 0.044 0.000 1.186 181 A CA 2.171 54.247 52.037 0.064 0.000 0.624 181 A CB -0.968 18.048 19.000 0.026 0.000 0.822 181 A HN 0.446 nan 8.150 nan 0.000 0.444 182 A N -0.130 122.688 122.820 -0.003 0.000 1.933 182 A HA -0.217 4.104 4.320 0.001 0.000 0.218 182 A C 2.068 179.605 177.584 -0.079 0.000 1.175 182 A CA 1.721 53.740 52.037 -0.031 0.000 0.628 182 A CB -0.751 18.226 19.000 -0.037 0.000 0.814 182 A HN 0.675 nan 8.150 nan 0.000 0.444 183 N N -1.218 117.391 118.700 -0.152 0.000 2.166 183 N HA -0.130 4.611 4.740 0.001 0.000 0.186 183 N C 1.055 176.289 175.510 -0.459 0.000 1.019 183 N CA 1.524 54.361 53.050 -0.356 0.000 0.856 183 N CB -0.144 38.013 38.487 -0.550 0.000 0.993 183 N HN 0.437 nan 8.380 nan 0.000 0.426 184 F N -0.452 119.460 119.950 -0.064 0.000 2.731 184 F HA 0.333 4.861 4.527 0.001 0.000 0.298 184 F C 1.609 177.384 175.800 -0.042 0.000 1.106 184 F CA 0.497 58.464 58.000 -0.056 0.000 1.329 184 F CB 0.236 39.199 39.000 -0.062 0.000 1.100 184 F HN 0.059 nan 8.300 nan 0.000 0.592 185 G N 1.531 110.390 108.800 0.098 0.000 2.212 185 G HA2 -0.102 3.859 3.960 0.001 0.000 0.255 185 G HA3 -0.102 3.859 3.960 0.001 0.000 0.255 185 G C -0.152 174.782 174.900 0.057 0.000 1.062 185 G CA 0.145 45.277 45.100 0.055 0.000 0.815 185 G HN 0.540 nan 8.290 nan 0.000 0.497 186 V N -3.359 116.595 119.914 0.066 0.000 3.164 186 V HA 0.996 5.117 4.120 0.001 0.000 0.313 186 V C 0.587 176.695 176.094 0.024 0.000 1.188 186 V CA -0.039 62.283 62.300 0.037 0.000 1.058 186 V CB 1.586 33.425 31.823 0.028 0.000 1.110 186 V HN 1.217 nan 8.190 nan 0.000 0.453 187 T N -1.739 112.819 114.554 0.008 0.000 2.902 187 T HA 0.455 4.806 4.350 0.001 0.000 0.280 187 T C 0.658 175.358 174.700 -0.000 0.000 0.992 187 T CA -0.313 61.789 62.100 0.003 0.000 1.015 187 T CB 1.373 70.239 68.868 -0.003 0.000 1.044 187 T HN 0.767 nan 8.240 nan 0.000 0.520 188 K N 0.331 120.730 120.400 -0.002 0.000 2.147 188 K HA -0.110 4.211 4.320 0.001 0.000 0.205 188 K C 2.027 178.619 176.600 -0.013 0.000 1.049 188 K CA 1.392 57.675 56.287 -0.006 0.000 0.936 188 K CB -0.094 32.402 32.500 -0.007 0.000 0.722 188 K HN 0.596 nan 8.250 nan 0.000 0.446 189 E N 1.133 121.325 120.200 -0.013 0.000 2.106 189 E HA -0.152 4.199 4.350 0.001 0.000 0.192 189 E C 1.507 178.094 176.600 -0.021 0.000 0.984 189 E CA 1.108 57.499 56.400 -0.016 0.000 0.806 189 E CB -0.034 29.658 29.700 -0.013 0.000 0.750 189 E HN 0.318 nan 8.360 nan 0.000 0.458 190 E N 0.031 120.218 120.200 -0.022 0.000 2.338 190 E HA -0.093 4.258 4.350 0.001 0.000 0.197 190 E C 1.345 177.919 176.600 -0.044 0.000 1.007 190 E CA 0.897 57.279 56.400 -0.031 0.000 0.849 190 E CB -0.085 29.598 29.700 -0.029 0.000 0.774 190 E HN 0.480 nan 8.360 nan 0.000 0.506 191 I N -2.289 118.257 120.570 -0.041 0.000 3.936 191 I HA 0.181 4.351 4.170 0.001 0.000 0.330 191 I C 1.614 177.704 176.117 -0.044 0.000 1.509 191 I CA -0.151 61.117 61.300 -0.053 0.000 1.126 191 I CB 0.504 38.474 38.000 -0.051 0.000 1.115 191 I HN -0.133 nan 8.210 nan 0.000 0.424 192 S N 0.656 116.334 115.700 -0.036 0.000 2.442 192 S HA -0.156 4.314 4.470 0.001 0.000 0.236 192 S C 1.517 176.095 174.600 -0.036 0.000 1.007 192 S CA 1.526 59.706 58.200 -0.032 0.000 0.965 192 S CB -0.654 62.530 63.200 -0.026 0.000 0.773 192 S HN 0.603 nan 8.310 nan 0.000 0.504 193 N N 0.522 119.197 118.700 -0.041 0.000 2.336 193 N HA 0.274 5.015 4.740 0.001 0.000 0.189 193 N C -0.102 175.378 175.510 -0.051 0.000 1.113 193 N CA -0.151 52.873 53.050 -0.043 0.000 0.858 193 N CB -0.400 38.062 38.487 -0.042 0.000 0.970 193 N HN 0.448 nan 8.380 nan 0.000 0.471 194 L N 1.497 122.687 121.223 -0.054 0.000 2.514 194 L HA 0.131 4.472 4.340 0.001 0.000 0.280 194 L C -1.586 175.252 176.870 -0.053 0.000 1.223 194 L CA -1.335 53.470 54.840 -0.058 0.000 0.864 194 L CB -0.018 42.007 42.059 -0.056 0.000 1.118 194 L HN 0.088 nan 8.230 nan 0.000 0.494 195 P HA -0.020 nan 4.420 nan 0.000 0.266 195 P C 0.531 177.806 177.300 -0.042 0.000 1.193 195 P CA 0.142 63.210 63.100 -0.054 0.000 0.770 195 P CB 0.670 32.330 31.700 -0.067 0.000 0.836 196 G N 1.909 110.685 108.800 -0.039 0.000 2.683 196 G HA2 0.015 3.976 3.960 0.001 0.000 0.213 196 G HA3 0.015 3.976 3.960 0.001 0.000 0.213 196 G C 0.256 175.136 174.900 -0.033 0.000 1.142 196 G CA 0.244 45.317 45.100 -0.046 0.000 0.793 196 G HN 0.395 nan 8.290 nan 0.000 0.534 197 K N 0.118 120.515 120.400 -0.005 0.000 2.509 197 K HA 0.316 4.637 4.320 0.001 0.000 0.266 197 K C -0.623 176.001 176.600 0.040 0.000 0.987 197 K CA -0.795 55.512 56.287 0.033 0.000 0.868 197 K CB 2.113 34.631 32.500 0.029 0.000 1.421 197 K HN 0.291 nan 8.250 nan 0.000 0.444 198 E N 1.548 121.792 120.200 0.073 0.000 2.409 198 E HA 0.031 4.381 4.350 0.001 0.000 0.257 198 E C -0.170 176.472 176.600 0.069 0.000 1.150 198 E CA -0.038 56.410 56.400 0.081 0.000 0.942 198 E CB 0.819 30.582 29.700 0.105 0.000 0.979 198 E HN 0.425 nan 8.360 nan 0.000 0.447 199 K N 0.482 120.928 120.400 0.076 0.000 2.262 199 K HA -0.037 4.284 4.320 0.001 0.000 0.200 199 K C 0.412 177.195 176.600 0.305 0.000 1.058 199 K CA 0.484 56.822 56.287 0.084 0.000 0.974 199 K CB -0.133 32.249 32.500 -0.196 0.000 0.910 199 K HN 0.639 nan 8.250 nan 0.000 0.484 200 Y N 0.192 120.587 120.300 0.157 0.000 2.728 200 Y HA -0.377 4.174 4.550 0.001 0.000 0.481 200 Y C -0.418 175.615 175.900 0.221 0.000 1.108 200 Y CA 1.459 59.647 58.100 0.146 0.000 2.921 200 Y CB -0.733 37.781 38.460 0.090 0.000 1.016 200 Y HN 0.002 nan 8.280 nan 0.000 0.580 201 I N 0.958 121.649 120.570 0.201 0.000 2.534 201 I HA 0.454 4.624 4.170 0.001 0.000 0.288 201 I C -1.208 175.089 176.117 0.301 0.000 1.077 201 I CA -0.523 60.830 61.300 0.089 0.000 1.051 201 I CB 1.787 39.788 38.000 0.001 0.000 1.234 201 I HN 0.220 nan 8.210 nan 0.000 0.425 202 F N 3.273 123.243 119.950 0.034 0.000 2.619 202 F HA 0.595 5.122 4.527 0.001 0.000 0.308 202 F C -0.497 175.324 175.800 0.035 0.000 1.097 202 F CA -1.020 57.007 58.000 0.045 0.000 0.953 202 F CB 1.029 40.057 39.000 0.047 0.000 1.287 202 F HN 0.219 nan 8.300 nan 0.000 0.446 203 E N 2.559 122.849 120.200 0.150 0.000 2.392 203 E HA 0.178 4.529 4.350 0.001 0.000 0.264 203 E C -0.925 175.713 176.600 0.062 0.000 1.024 203 E CA -0.007 56.425 56.400 0.054 0.000 0.903 203 E CB 1.090 30.838 29.700 0.081 0.000 0.963 203 E HN 0.705 nan 8.360 nan 0.000 0.432 204 N N 1.367 120.058 118.700 -0.015 0.000 2.710 204 N HA -0.014 4.727 4.740 0.001 0.000 0.257 204 N C -1.311 174.196 175.510 -0.007 0.000 1.327 204 N CA -0.482 52.571 53.050 0.005 0.000 0.861 204 N CB 2.046 40.491 38.487 -0.070 0.000 1.532 204 N HN 0.409 nan 8.380 nan 0.000 0.499 205 Q N 1.574 121.380 119.800 0.010 0.000 2.392 205 Q HA 0.216 4.557 4.340 0.001 0.000 0.262 205 Q C -0.131 175.861 176.000 -0.014 0.000 1.003 205 Q CA -0.128 55.677 55.803 0.003 0.000 0.888 205 Q CB 0.690 29.434 28.738 0.009 0.000 1.260 205 Q HN 0.493 nan 8.270 nan 0.000 0.435 206 L N 5.616 126.831 121.223 -0.015 0.000 2.514 206 L HA 0.120 4.461 4.340 0.001 0.000 0.280 206 L C -1.626 175.229 176.870 -0.025 0.000 1.223 206 L CA -1.146 53.680 54.840 -0.023 0.000 0.864 206 L CB -0.032 42.017 42.059 -0.018 0.000 1.118 206 L HN 0.693 nan 8.230 nan 0.000 0.494 207 P HA 0.190 nan 4.420 nan 0.000 0.277 207 P C -0.200 177.081 177.300 -0.032 0.000 1.271 207 P CA -0.438 62.642 63.100 -0.034 0.000 0.795 207 P CB 0.813 32.486 31.700 -0.046 0.000 1.101 208 G N -0.171 108.610 108.800 -0.031 0.000 2.509 208 G HA2 0.267 4.227 3.960 0.001 0.000 0.269 208 G HA3 0.267 4.227 3.960 0.001 0.000 0.269 208 G C -0.326 174.552 174.900 -0.037 0.000 1.416 208 G CA -0.504 44.578 45.100 -0.030 0.000 1.052 208 G HN 0.518 nan 8.290 nan 0.000 0.542 209 S N -0.483 115.195 115.700 -0.035 0.000 2.568 209 S HA 0.015 4.486 4.470 0.001 0.000 0.282 209 S C 1.498 176.068 174.600 -0.049 0.000 1.338 209 S CA -0.594 57.581 58.200 -0.040 0.000 1.045 209 S CB 1.303 64.482 63.200 -0.035 0.000 0.873 209 S HN 0.527 nan 8.310 nan 0.000 0.516 210 L N 4.311 125.499 121.223 -0.058 0.000 2.012 210 L HA -0.192 4.149 4.340 0.001 0.000 0.210 210 L C 2.354 179.182 176.870 -0.070 0.000 1.073 210 L CA 1.932 56.728 54.840 -0.073 0.000 0.748 210 L CB -0.824 41.185 42.059 -0.083 0.000 0.891 210 L HN 0.845 nan 8.230 nan 0.000 0.431 211 K N -1.599 118.766 120.400 -0.058 0.000 2.218 211 K HA -0.205 4.116 4.320 0.001 0.000 0.205 211 K C 1.342 177.915 176.600 -0.045 0.000 1.046 211 K CA 1.838 58.094 56.287 -0.051 0.000 0.933 211 K CB -0.683 31.793 32.500 -0.040 0.000 0.728 211 K HN 0.398 nan 8.250 nan 0.000 0.454 212 D N 0.937 121.312 120.400 -0.042 0.000 2.347 212 D HA -0.057 4.583 4.640 0.001 0.000 0.213 212 D C 0.792 177.069 176.300 -0.040 0.000 0.985 212 D CA 0.721 54.699 54.000 -0.036 0.000 0.879 212 D CB 0.123 40.904 40.800 -0.031 0.000 0.919 212 D HN 0.290 nan 8.370 nan 0.000 0.526 213 D N 0.073 120.442 120.400 -0.051 0.000 2.346 213 D HA 0.022 4.662 4.640 0.001 0.000 0.206 213 D C 0.822 177.087 176.300 -0.060 0.000 1.001 213 D CA -0.122 53.845 54.000 -0.055 0.000 0.871 213 D CB 0.649 41.409 40.800 -0.066 0.000 0.943 213 D HN 0.085 nan 8.370 nan 0.000 0.518 214 I N 2.114 122.645 120.570 -0.064 0.000 2.741 214 I HA -0.079 4.092 4.170 0.001 0.000 0.288 214 I C 0.418 176.509 176.117 -0.043 0.000 1.192 214 I CA 0.227 61.489 61.300 -0.064 0.000 1.426 214 I CB -0.291 37.672 38.000 -0.062 0.000 1.367 214 I HN -0.296 nan 8.210 nan 0.000 0.563 215 V N 6.563 126.455 119.914 -0.037 0.000 2.435 215 V HA 0.283 4.404 4.120 0.001 0.000 0.290 215 V C 0.276 176.363 176.094 -0.011 0.000 1.030 215 V CA -0.797 61.490 62.300 -0.022 0.000 0.881 215 V CB 1.770 33.581 31.823 -0.020 0.000 0.983 215 V HN 0.664 nan 8.190 nan 0.000 0.445 216 E N 2.467 122.663 120.200 -0.008 0.000 2.266 216 E HA 0.697 5.048 4.350 0.001 0.000 0.277 216 E C 0.120 176.722 176.600 0.003 0.000 1.018 216 E CA 0.120 56.519 56.400 -0.001 0.000 0.840 216 E CB 1.699 31.397 29.700 -0.004 0.000 1.082 216 E HN 0.879 nan 8.360 nan 0.000 0.395 217 G N 2.523 111.327 108.800 0.008 0.000 2.694 217 G HA2 0.391 4.352 3.960 0.001 0.000 0.290 217 G HA3 0.391 4.352 3.960 0.001 0.000 0.290 217 G C -2.018 172.887 174.900 0.009 0.000 1.386 217 G CA -1.078 44.027 45.100 0.009 0.000 0.872 217 G HN 0.560 nan 8.290 nan 0.000 0.475 218 P HA 0.034 nan 4.420 nan 0.000 0.245 218 P C 0.343 177.648 177.300 0.007 0.000 1.212 218 P CA 0.323 63.426 63.100 0.006 0.000 0.774 218 P CB 0.495 32.197 31.700 0.003 0.000 0.999 219 N N -0.006 118.701 118.700 0.012 0.000 2.299 219 N HA 0.126 4.867 4.740 0.001 0.000 0.187 219 N C 1.176 176.697 175.510 0.018 0.000 1.099 219 N CA 1.024 54.083 53.050 0.014 0.000 0.867 219 N CB 0.768 39.266 38.487 0.018 0.000 0.974 219 N HN 0.208 nan 8.380 nan 0.000 0.477 220 G N 1.553 110.364 108.800 0.019 0.000 2.760 220 G HA2 -0.250 3.711 3.960 0.001 0.000 0.246 220 G HA3 -0.250 3.711 3.960 0.001 0.000 0.246 220 G C -0.639 174.283 174.900 0.036 0.000 1.359 220 G CA -0.560 44.552 45.100 0.020 0.000 0.861 220 G HN 0.291 nan 8.290 nan 0.000 0.541 221 E N -0.984 119.237 120.200 0.036 0.000 2.374 221 E HA 0.474 4.824 4.350 0.001 0.000 0.260 221 E C 1.247 177.883 176.600 0.061 0.000 1.101 221 E CA -0.272 56.166 56.400 0.064 0.000 0.907 221 E CB 1.101 30.833 29.700 0.054 0.000 1.014 221 E HN 1.345 nan 8.360 nan 0.000 0.427 222 V N 1.613 121.597 119.914 0.117 0.000 2.843 222 V HA 0.116 4.237 4.120 0.001 0.000 0.305 222 V C -1.956 174.105 176.094 -0.056 0.000 1.065 222 V CA -1.007 61.344 62.300 0.085 0.000 1.116 222 V CB 0.682 32.622 31.823 0.195 0.000 0.968 222 V HN 0.744 nan 8.190 nan 0.000 0.487 223 P HA 0.040 nan 4.420 nan 0.000 0.217 223 P C -0.596 176.252 177.300 -0.753 0.000 1.150 223 P CA 1.389 64.228 63.100 -0.435 0.000 0.832 223 P CB -0.034 31.431 31.700 -0.391 0.000 0.787 224 Y N -2.739 117.448 120.300 -0.189 0.000 2.524 224 Y HA 0.430 4.981 4.550 0.002 0.000 0.347 224 Y C -2.412 173.176 175.900 -0.521 0.000 1.005 224 Y CA -3.173 54.771 58.100 -0.259 0.000 1.025 224 Y CB 0.715 39.023 38.460 -0.252 0.000 1.275 224 Y HN -0.262 nan 8.280 nan 0.000 0.460 225 P HA 0.146 nan 4.420 nan 0.000 0.271 225 P C -0.258 176.718 177.300 -0.538 0.000 1.218 225 P CA -0.003 62.819 63.100 -0.464 0.000 0.780 225 P CB 0.586 32.314 31.700 0.048 0.000 0.901 226 F N -0.532 119.033 119.950 -0.642 0.000 2.693 226 F HA 0.120 4.647 4.527 0.001 0.000 0.303 226 F C 1.263 177.313 175.800 0.416 0.000 1.097 226 F CA 0.210 58.209 58.000 -0.000 0.000 1.330 226 F CB -0.210 38.788 39.000 -0.002 0.000 1.067 226 F HN 0.185 nan 8.300 nan 0.000 0.565 227 T N -3.164 111.675 114.554 0.476 0.000 2.924 227 T HA 0.571 4.922 4.350 0.001 0.000 0.291 227 T C -1.533 173.159 174.700 -0.013 0.000 1.045 227 T CA -0.789 61.520 62.100 0.348 0.000 1.015 227 T CB 2.458 71.556 68.868 0.384 0.000 1.103 227 T HN -0.004 nan 8.240 nan 0.000 0.496 228 Y N 0.791 120.791 120.300 -0.500 0.000 2.401 228 Y HA 0.493 5.044 4.550 0.002 0.000 0.330 228 Y C -0.720 174.961 175.900 -0.366 0.000 1.071 228 Y CA -1.178 56.519 58.100 -0.671 0.000 1.049 228 Y CB 1.702 39.229 38.460 -1.555 0.000 1.239 228 Y HN 0.611 nan 8.280 nan 0.000 0.437 229 R N 6.818 126.913 120.500 -0.674 0.000 2.608 229 R HA 0.113 4.454 4.340 0.001 0.000 0.277 229 R C 0.786 176.786 176.300 -0.499 0.000 1.341 229 R CA -0.264 55.563 56.100 -0.455 0.000 1.199 229 R CB 0.223 30.314 30.300 -0.348 0.000 1.156 229 R HN 0.875 nan 8.270 nan 0.000 0.558 230 L N 2.955 124.042 121.223 -0.228 0.000 2.042 230 L HA -0.128 4.213 4.340 0.001 0.000 0.210 230 L C 1.623 178.432 176.870 -0.102 0.000 1.076 230 L CA 1.879 56.715 54.840 -0.008 0.000 0.749 230 L CB -0.212 41.931 42.059 0.141 0.000 0.893 230 L HN 0.551 nan 8.230 nan 0.000 0.432 231 L N -0.940 120.143 121.223 -0.232 0.000 2.551 231 L HA -0.084 4.257 4.340 0.001 0.000 0.228 231 L C 2.231 179.038 176.870 -0.105 0.000 1.153 231 L CA 0.432 55.073 54.840 -0.332 0.000 0.851 231 L CB -0.555 41.314 42.059 -0.316 0.000 0.959 231 L HN 0.386 nan 8.230 nan 0.000 0.451 232 E N -0.121 120.017 120.200 -0.103 0.000 2.112 232 E HA -0.105 4.246 4.350 0.001 0.000 0.190 232 E C 0.569 177.172 176.600 0.006 0.000 0.979 232 E CA 0.354 56.715 56.400 -0.065 0.000 0.814 232 E CB 0.137 29.758 29.700 -0.131 0.000 0.762 232 E HN 0.441 nan 8.360 nan 0.000 0.460 233 Q N 1.141 120.962 119.800 0.035 0.000 2.492 233 Q HA 0.046 4.387 4.340 0.001 0.000 0.238 233 Q C -0.241 175.846 176.000 0.145 0.000 1.045 233 Q CA 0.367 56.224 55.803 0.089 0.000 0.934 233 Q CB 0.392 29.208 28.738 0.131 0.000 1.276 233 Q HN 0.064 nan 8.270 nan 0.000 0.521 234 E N 2.577 122.820 120.200 0.071 0.000 2.290 234 E HA 0.138 4.489 4.350 0.001 0.000 0.277 234 E C -2.031 174.533 176.600 -0.060 0.000 1.035 234 E CA -1.702 54.710 56.400 0.021 0.000 0.873 234 E CB 0.527 30.227 29.700 -0.001 0.000 1.029 234 E HN 0.372 nan 8.360 nan 0.000 0.419 235 P HA 0.212 nan 4.420 nan 0.000 0.278 235 P C -0.410 176.711 177.300 -0.297 0.000 1.266 235 P CA -0.408 62.385 63.100 -0.512 0.000 0.807 235 P CB 0.912 31.857 31.700 -1.259 0.000 1.094 236 I N 0.806 121.207 120.570 -0.281 0.000 2.363 236 I HA 0.121 4.292 4.170 0.001 0.000 0.292 236 I C 1.048 177.067 176.117 -0.163 0.000 1.075 236 I CA 0.042 61.240 61.300 -0.169 0.000 1.333 236 I CB -0.018 37.896 38.000 -0.143 0.000 1.415 236 I HN 0.370 nan 8.210 nan 0.000 0.502 237 E N 5.598 125.733 120.200 -0.107 0.000 2.115 237 E HA 0.365 4.716 4.350 0.001 0.000 0.282 237 E C -0.830 175.759 176.600 -0.018 0.000 0.987 237 E CA -0.312 56.043 56.400 -0.075 0.000 0.797 237 E CB 1.029 30.692 29.700 -0.062 0.000 1.086 237 E HN 0.581 nan 8.360 nan 0.000 0.397 238 S N 2.896 118.592 115.700 -0.008 0.000 2.767 238 S HA 0.093 4.564 4.470 0.001 0.000 0.300 238 S C 0.868 175.466 174.600 -0.003 0.000 1.123 238 S CA -0.795 57.423 58.200 0.029 0.000 0.992 238 S CB 1.442 64.672 63.200 0.050 0.000 1.138 238 S HN 0.756 nan 8.310 nan 0.000 0.550 239 E N 0.374 120.556 120.200 -0.029 0.000 2.150 239 E HA -0.077 4.274 4.350 0.001 0.000 0.193 239 E C 1.379 177.974 176.600 -0.009 0.000 0.985 239 E CA 0.944 57.322 56.400 -0.037 0.000 0.814 239 E CB -0.322 29.333 29.700 -0.075 0.000 0.752 239 E HN 0.769 nan 8.360 nan 0.000 0.466 240 G N -0.601 108.203 108.800 0.007 0.000 3.126 240 G HA2 0.433 4.394 3.960 0.001 0.000 0.224 240 G HA3 0.433 4.394 3.960 0.001 0.000 0.224 240 G C 0.282 175.205 174.900 0.038 0.000 1.142 240 G CA 0.249 45.366 45.100 0.029 0.000 0.759 240 G HN 0.460 nan 8.290 nan 0.000 0.550 241 G N -0.118 108.695 108.800 0.022 0.000 2.336 241 G HA2 0.470 4.431 3.960 0.001 0.000 0.286 241 G HA3 0.470 4.431 3.960 0.001 0.000 0.286 241 G C -1.642 173.244 174.900 -0.023 0.000 1.269 241 G CA -0.450 44.660 45.100 0.015 0.000 0.873 241 G HN 0.569 nan 8.290 nan 0.000 0.494 242 K N -1.536 118.835 120.400 -0.049 0.000 2.512 242 K HA 0.811 5.132 4.320 0.001 0.000 0.263 242 K C -1.663 174.826 176.600 -0.186 0.000 0.966 242 K CA -0.993 55.208 56.287 -0.143 0.000 0.851 242 K CB 2.699 35.081 32.500 -0.197 0.000 1.395 242 K HN 0.602 nan 8.250 nan 0.000 0.440 243 V N 1.926 121.664 119.914 -0.294 0.000 2.577 243 V HA 0.340 4.461 4.120 0.001 0.000 0.303 243 V C -1.661 174.227 176.094 -0.345 0.000 1.042 243 V CA -0.782 61.367 62.300 -0.251 0.000 0.872 243 V CB 1.062 32.761 31.823 -0.206 0.000 0.998 243 V HN 0.678 nan 8.190 nan 0.000 0.423 244 Y N 4.786 125.024 120.300 -0.104 0.000 2.342 244 Y HA 0.658 5.209 4.550 0.001 0.000 0.338 244 Y C 0.174 176.027 175.900 -0.078 0.000 0.965 244 Y CA -0.514 57.555 58.100 -0.052 0.000 1.159 244 Y CB 1.499 39.961 38.460 0.003 0.000 1.157 244 Y HN 0.457 nan 8.280 nan 0.000 0.486 245 I N 3.220 123.808 120.570 0.031 0.000 2.441 245 I HA 0.726 4.896 4.170 0.001 0.000 0.295 245 I C -0.428 175.713 176.117 0.039 0.000 0.994 245 I CA -0.934 60.331 61.300 -0.059 0.000 1.144 245 I CB 1.760 39.622 38.000 -0.231 0.000 1.314 245 I HN 0.666 nan 8.210 nan 0.000 0.445 246 A N 5.047 127.893 122.820 0.042 0.000 2.411 246 A HA 0.684 5.004 4.320 0.001 0.000 0.285 246 A C -1.249 176.351 177.584 0.027 0.000 1.129 246 A CA -0.544 51.492 52.037 -0.002 0.000 0.736 246 A CB 0.688 19.713 19.000 0.042 0.000 1.186 246 A HN 0.753 nan 8.150 nan 0.000 0.445 247 D N 0.550 120.933 120.400 -0.029 0.000 2.758 247 D HA 0.400 5.040 4.640 0.001 0.000 0.279 247 D C 1.082 177.316 176.300 -0.110 0.000 1.111 247 D CA 0.242 54.217 54.000 -0.042 0.000 1.109 247 D CB 0.199 41.004 40.800 0.007 0.000 1.428 247 D HN 0.369 nan 8.370 nan 0.000 0.586 248 S N -1.642 113.972 115.700 -0.144 0.000 2.500 248 S HA -0.157 4.314 4.470 0.001 0.000 0.239 248 S C 1.586 176.098 174.600 -0.147 0.000 0.989 248 S CA 1.568 59.648 58.200 -0.200 0.000 0.951 248 S CB -1.354 61.727 63.200 -0.198 0.000 0.759 248 S HN 0.686 nan 8.310 nan 0.000 0.523 249 T N -0.013 114.492 114.554 -0.083 0.000 3.043 249 T HA 0.021 4.372 4.350 0.001 0.000 0.263 249 T C 1.558 176.232 174.700 -0.044 0.000 1.094 249 T CA 0.942 63.006 62.100 -0.059 0.000 1.127 249 T CB -0.392 68.461 68.868 -0.026 0.000 0.905 249 T HN 0.657 nan 8.240 nan 0.000 0.490 250 N N -0.187 118.484 118.700 -0.048 0.000 2.474 250 N HA 0.098 4.839 4.740 0.001 0.000 0.224 250 N C -0.030 175.471 175.510 -0.016 0.000 1.092 250 N CA -0.313 52.737 53.050 0.001 0.000 0.844 250 N CB -0.218 38.297 38.487 0.046 0.000 1.381 250 N HN 0.357 nan 8.380 nan 0.000 0.458 251 F N 3.759 123.455 119.950 -0.423 0.000 2.359 251 F HA 0.491 5.019 4.527 0.002 0.000 0.355 251 F C 0.977 176.589 175.800 -0.314 0.000 1.132 251 F CA -1.567 56.143 58.000 -0.483 0.000 1.246 251 F CB 0.292 38.848 39.000 -0.740 0.000 1.569 251 F HN -0.226 nan 8.300 nan 0.000 0.561 252 K N 2.269 122.590 120.400 -0.131 0.000 2.097 252 K HA -0.196 4.125 4.320 0.001 0.000 0.214 252 K C 2.187 178.473 176.600 -0.523 0.000 1.052 252 K CA 2.112 58.159 56.287 -0.400 0.000 0.932 252 K CB -1.210 30.895 32.500 -0.658 0.000 0.716 252 K HN 0.539 nan 8.250 nan 0.000 0.455 253 V N -1.352 118.228 119.914 -0.557 0.000 2.809 253 V HA -0.001 4.119 4.120 0.001 0.000 0.256 253 V C 1.487 177.114 176.094 -0.779 0.000 1.080 253 V CA 1.322 63.320 62.300 -0.504 0.000 1.102 253 V CB -0.405 31.204 31.823 -0.357 0.000 0.705 253 V HN 0.109 nan 8.190 nan 0.000 0.475 254 S N 0.616 115.570 115.700 -1.244 0.000 4.117 254 S HA 0.172 4.643 4.470 0.001 0.000 0.191 254 S C 1.271 175.301 174.600 -0.950 0.000 1.308 254 S CA -0.118 57.080 58.200 -1.670 0.000 0.906 254 S CB -0.719 61.779 63.200 -1.171 0.000 1.565 254 S HN 0.689 nan 8.310 nan 0.000 0.439 255 K N 0.479 120.449 120.400 -0.717 0.000 2.217 255 K HA -0.032 4.288 4.320 0.001 0.000 0.202 255 K C 1.867 178.374 176.600 -0.156 0.000 1.051 255 K CA 1.447 57.555 56.287 -0.299 0.000 0.952 255 K CB 0.003 32.417 32.500 -0.144 0.000 0.736 255 K HN 0.652 nan 8.250 nan 0.000 0.453 256 T N -1.768 112.742 114.554 -0.074 0.000 3.054 256 T HA 0.259 4.610 4.350 0.001 0.000 0.255 256 T C 0.356 175.068 174.700 0.020 0.000 1.035 256 T CA -0.320 61.806 62.100 0.043 0.000 0.941 256 T CB 0.264 69.230 68.868 0.163 0.000 1.026 256 T HN -0.181 nan 8.240 nan 0.000 0.533 257 I N 1.866 122.401 120.570 -0.060 0.000 2.512 257 I HA 0.672 4.843 4.170 0.001 0.000 0.287 257 I C -0.559 175.457 176.117 -0.168 0.000 1.069 257 I CA -1.259 59.973 61.300 -0.113 0.000 1.056 257 I CB 1.369 39.315 38.000 -0.089 0.000 1.229 257 I HN 0.238 nan 8.210 nan 0.000 0.429 258 A N 5.145 127.901 122.820 -0.106 0.000 2.337 258 A HA 0.902 5.223 4.320 0.001 0.000 0.329 258 A C -0.178 177.421 177.584 0.024 0.000 1.146 258 A CA -0.375 51.658 52.037 -0.007 0.000 0.800 258 A CB 1.339 20.363 19.000 0.041 0.000 1.220 258 A HN 0.771 nan 8.150 nan 0.000 0.472 259 S N 0.071 115.785 115.700 0.024 0.000 2.588 259 S HA 0.911 5.382 4.470 0.001 0.000 0.275 259 S C -0.667 173.951 174.600 0.031 0.000 1.130 259 S CA -0.168 58.013 58.200 -0.032 0.000 0.855 259 S CB 1.834 64.898 63.200 -0.226 0.000 1.116 259 S HN 2.258 nan 8.310 nan 0.000 0.472 260 A N 0.942 123.762 122.820 0.001 0.000 2.459 260 A HA 0.698 5.019 4.320 0.001 0.000 0.296 260 A C -1.488 176.042 177.584 -0.091 0.000 1.039 260 A CA -0.605 51.384 52.037 -0.080 0.000 0.698 260 A CB 1.346 20.214 19.000 -0.221 0.000 1.261 260 A HN 1.198 nan 8.150 nan 0.000 0.405 261 L N 3.519 124.710 121.223 -0.053 0.000 2.265 261 L HA 0.699 5.040 4.340 0.001 0.000 0.289 261 L C -0.941 175.843 176.870 -0.144 0.000 1.033 261 L CA -0.138 54.629 54.840 -0.121 0.000 0.814 261 L CB 1.310 43.339 42.059 -0.051 0.000 1.203 261 L HN 0.439 nan 8.230 nan 0.000 0.423 262 V N 4.001 123.659 119.914 -0.427 0.000 2.459 262 V HA 0.581 4.702 4.120 0.001 0.000 0.295 262 V C 0.085 175.954 176.094 -0.374 0.000 1.029 262 V CA -0.475 61.525 62.300 -0.500 0.000 0.874 262 V CB 1.722 32.959 31.823 -0.976 0.000 0.985 262 V HN 0.821 nan 8.190 nan 0.000 0.438 263 T N 4.115 118.590 114.554 -0.132 0.000 2.792 263 T HA 0.591 4.942 4.350 0.001 0.000 0.280 263 T C -0.533 174.187 174.700 0.033 0.000 0.990 263 T CA -0.381 61.713 62.100 -0.010 0.000 0.960 263 T CB 1.562 70.468 68.868 0.064 0.000 0.939 263 T HN 0.365 nan 8.240 nan 0.000 0.439 264 V N 3.921 123.897 119.914 0.102 0.000 2.407 264 V HA 0.353 4.474 4.120 0.001 0.000 0.291 264 V C 0.202 176.370 176.094 0.122 0.000 1.018 264 V CA -1.027 61.355 62.300 0.136 0.000 0.842 264 V CB 1.559 33.521 31.823 0.232 0.000 0.996 264 V HN 0.759 nan 8.190 nan 0.000 0.426 265 E N 4.855 125.111 120.200 0.092 0.000 2.409 265 E HA 0.251 4.601 4.350 0.001 0.000 0.257 265 E C -2.412 174.238 176.600 0.085 0.000 1.150 265 E CA -2.050 54.398 56.400 0.080 0.000 0.942 265 E CB 0.442 30.177 29.700 0.059 0.000 0.979 265 E HN 0.377 nan 8.360 nan 0.000 0.447 266 P HA 0.034 nan 4.420 nan 0.000 0.265 266 P C 0.488 177.826 177.300 0.063 0.000 1.193 266 P CA 1.070 64.213 63.100 0.071 0.000 0.765 266 P CB 0.401 32.136 31.700 0.058 0.000 0.823 267 G N 1.251 110.091 108.800 0.067 0.000 2.159 267 G HA2 -0.090 3.871 3.960 0.001 0.000 0.256 267 G HA3 -0.090 3.871 3.960 0.001 0.000 0.256 267 G C 0.316 175.254 174.900 0.063 0.000 0.977 267 G CA 0.073 45.207 45.100 0.057 0.000 0.652 267 G HN 0.851 nan 8.290 nan 0.000 0.531 268 A N -0.414 122.455 122.820 0.082 0.000 2.344 268 A HA 1.089 5.410 4.320 0.001 0.000 0.307 268 A C -0.054 177.608 177.584 0.130 0.000 1.151 268 A CA -0.042 52.049 52.037 0.090 0.000 0.842 268 A CB 1.211 20.262 19.000 0.084 0.000 1.350 268 A HN 1.762 nan 8.150 nan 0.000 0.459 269 M N -0.757 118.929 119.600 0.144 0.000 2.465 269 M HA 0.682 5.162 4.480 0.001 0.000 0.284 269 M C -0.777 175.657 176.300 0.223 0.000 1.212 269 M CA -0.780 54.645 55.300 0.207 0.000 0.910 269 M CB 1.799 34.520 32.600 0.201 0.000 1.725 269 M HN 0.543 nan 8.290 nan 0.000 0.477 270 R N 2.677 123.360 120.500 0.305 0.000 2.370 270 R HA 0.222 4.563 4.340 0.001 0.000 0.309 270 R C -0.289 176.195 176.300 0.306 0.000 1.059 270 R CA 0.189 56.468 56.100 0.298 0.000 0.981 270 R CB 0.443 31.010 30.300 0.445 0.000 0.972 270 R HN 0.825 nan 8.270 nan 0.000 0.437 271 E N 3.848 124.176 120.200 0.214 0.000 2.442 271 E HA -0.039 4.312 4.350 0.001 0.000 0.260 271 E C -0.610 176.195 176.600 0.341 0.000 1.148 271 E CA -0.456 56.075 56.400 0.219 0.000 0.976 271 E CB 0.464 30.247 29.700 0.140 0.000 0.967 271 E HN 0.508 nan 8.360 nan 0.000 0.454 272 L N 3.222 124.608 121.223 0.271 0.000 2.462 272 L HA 0.135 4.476 4.340 0.001 0.000 0.272 272 L C 0.418 177.450 176.870 0.270 0.000 1.166 272 L CA 0.371 55.374 54.840 0.272 0.000 0.880 272 L CB -0.330 41.857 42.059 0.212 0.000 1.142 272 L HN 0.658 nan 8.230 nan 0.000 0.473 273 H N 1.935 121.009 119.070 0.006 0.000 2.883 273 H HA 0.445 5.002 4.556 0.002 0.000 0.277 273 H C -1.714 173.576 175.328 -0.065 0.000 1.451 273 H CA -1.155 54.835 56.048 -0.095 0.000 1.157 273 H CB 1.007 30.617 29.762 -0.252 0.000 1.851 273 H HN 0.600 nan 8.280 nan 0.000 0.566 274 W N 0.147 121.247 121.300 -0.334 0.000 3.025 274 W HA 0.614 5.275 4.660 0.001 0.000 0.343 274 W C -1.959 174.341 176.519 -0.365 0.000 1.246 274 W CA -0.896 56.270 57.345 -0.299 0.000 1.178 274 W CB 0.885 30.288 29.460 -0.095 0.000 1.463 274 W HN 0.566 nan 8.180 nan 0.000 0.578 275 H N 1.978 121.273 119.070 0.375 0.000 2.511 275 H HA 0.269 4.825 4.556 0.001 0.000 0.328 275 H C -1.839 173.678 175.328 0.314 0.000 1.044 275 H CA -1.964 54.169 56.048 0.141 0.000 1.212 275 H CB 2.199 32.041 29.762 0.134 0.000 1.428 275 H HN 0.261 nan 8.280 nan 0.000 0.483 276 P HA -0.052 nan 4.420 nan 0.000 0.249 276 P C 0.563 178.137 177.300 0.456 0.000 1.229 276 P CA 0.444 63.769 63.100 0.374 0.000 0.788 276 P CB 0.583 32.384 31.700 0.168 0.000 1.072 277 N N -1.132 117.724 118.700 0.260 0.000 2.571 277 N HA 0.063 4.804 4.740 0.001 0.000 0.195 277 N C 0.549 175.805 175.510 -0.423 0.000 1.040 277 N CA 0.620 53.641 53.050 -0.049 0.000 0.890 277 N CB -0.021 38.325 38.487 -0.234 0.000 1.233 277 N HN -0.027 nan 8.380 nan 0.000 0.435 278 T N -1.009 113.408 114.554 -0.228 0.000 2.661 278 T HA 0.210 4.561 4.350 0.001 0.000 0.305 278 T C -1.762 172.933 174.700 -0.009 0.000 1.441 278 T CA -0.661 61.184 62.100 -0.426 0.000 0.999 278 T CB 0.306 68.993 68.868 -0.302 0.000 1.650 278 T HN 0.172 nan 8.240 nan 0.000 0.489 279 H N 1.456 120.588 119.070 0.105 0.000 2.771 279 H HA 0.335 4.892 4.556 0.001 0.000 0.364 279 H C 0.165 175.403 175.328 -0.150 0.000 1.133 279 H CA 0.085 56.136 56.048 0.004 0.000 1.423 279 H CB 0.573 30.306 29.762 -0.048 0.000 1.425 279 H HN 0.562 nan 8.280 nan 0.000 0.606 280 E N 1.865 121.886 120.200 -0.299 0.000 2.158 280 E HA 0.169 4.520 4.350 0.001 0.000 0.271 280 E C -1.329 174.868 176.600 -0.672 0.000 0.911 280 E CA -0.778 55.260 56.400 -0.604 0.000 0.767 280 E CB 1.206 30.690 29.700 -0.361 0.000 1.120 280 E HN 0.506 nan 8.360 nan 0.000 0.405 281 W N 4.272 125.164 121.300 -0.680 0.000 2.520 281 W HA 0.303 4.962 4.660 -0.001 0.000 0.323 281 W C -0.987 175.355 176.519 -0.295 0.000 1.062 281 W CA -0.288 56.860 57.345 -0.328 0.000 1.215 281 W CB 1.265 30.644 29.460 -0.134 0.000 1.340 281 W HN 0.490 nan 8.180 nan 0.000 0.516 282 Q N 4.382 123.751 119.800 -0.718 0.000 2.413 282 Q HA 0.398 4.739 4.340 0.001 0.000 0.276 282 Q C -1.907 173.585 176.000 -0.848 0.000 1.099 282 Q CA -1.214 54.214 55.803 -0.625 0.000 0.814 282 Q CB 3.173 31.533 28.738 -0.630 0.000 1.379 282 Q HN 0.502 nan 8.270 nan 0.000 0.436 283 Y N 0.774 120.758 120.300 -0.528 0.000 2.386 283 Y HA 0.381 4.931 4.550 0.001 0.000 0.334 283 Y C -1.923 173.853 175.900 -0.207 0.000 1.002 283 Y CA -1.062 56.891 58.100 -0.245 0.000 1.068 283 Y CB 1.130 39.682 38.460 0.154 0.000 1.203 283 Y HN 0.583 nan 8.280 nan 0.000 0.443 284 Y N 7.384 127.184 120.300 -0.833 0.000 2.425 284 Y HA 0.281 4.831 4.550 0.000 0.000 0.347 284 Y C 1.040 176.533 175.900 -0.677 0.000 0.976 284 Y CA -0.112 57.683 58.100 -0.509 0.000 1.190 284 Y CB 0.687 38.968 38.460 -0.299 0.000 1.136 284 Y HN 0.671 nan 8.280 nan 0.000 0.517 285 I N 1.237 121.705 120.570 -0.171 0.000 2.277 285 I HA -0.118 4.053 4.170 0.001 0.000 0.243 285 I C 0.628 176.816 176.117 0.119 0.000 1.094 285 I CA 0.911 62.256 61.300 0.074 0.000 1.393 285 I CB 0.002 38.122 38.000 0.199 0.000 1.078 285 I HN 0.563 nan 8.210 nan 0.000 0.417 286 S N -0.779 115.002 115.700 0.134 0.000 2.596 286 S HA 0.746 5.217 4.470 0.001 0.000 0.270 286 S C -0.310 174.384 174.600 0.158 0.000 1.155 286 S CA -0.199 58.083 58.200 0.137 0.000 0.827 286 S CB 1.806 65.084 63.200 0.131 0.000 1.130 286 S HN 0.671 nan 8.310 nan 0.000 0.467 287 G N 0.956 109.832 108.800 0.127 0.000 2.660 287 G HA2 0.106 4.067 3.960 0.001 0.000 0.247 287 G HA3 0.106 4.067 3.960 0.001 0.000 0.247 287 G C -1.565 173.396 174.900 0.101 0.000 1.328 287 G CA -0.593 44.582 45.100 0.124 0.000 0.884 287 G HN 0.887 nan 8.290 nan 0.000 0.531 288 K N -0.440 120.013 120.400 0.088 0.000 2.464 288 K HA 0.805 5.126 4.320 0.001 0.000 0.253 288 K C 0.025 176.656 176.600 0.051 0.000 0.933 288 K CA -0.144 56.165 56.287 0.036 0.000 0.801 288 K CB 2.275 34.788 32.500 0.023 0.000 1.271 288 K HN 1.569 nan 8.250 nan 0.000 0.430 289 A N 1.769 124.586 122.820 -0.005 0.000 2.568 289 A HA 0.815 5.136 4.320 0.001 0.000 0.291 289 A C -1.673 175.929 177.584 0.030 0.000 1.159 289 A CA -0.955 51.107 52.037 0.041 0.000 0.679 289 A CB 1.613 20.654 19.000 0.069 0.000 1.285 289 A HN 0.849 nan 8.150 nan 0.000 0.428 290 R N -0.388 120.166 120.500 0.090 0.000 2.626 290 R HA 0.816 5.156 4.340 0.001 0.000 0.274 290 R C -1.257 175.079 176.300 0.060 0.000 1.031 290 R CA -0.597 55.554 56.100 0.084 0.000 0.898 290 R CB 1.667 32.020 30.300 0.089 0.000 1.222 290 R HN 1.018 nan 8.270 nan 0.000 0.455 291 M N 2.186 121.795 119.600 0.015 0.000 2.378 291 M HA 0.404 4.885 4.480 0.001 0.000 0.289 291 M C -1.675 174.531 176.300 -0.157 0.000 1.136 291 M CA -0.303 54.832 55.300 -0.275 0.000 0.917 291 M CB 3.086 35.673 32.600 -0.021 0.000 1.669 291 M HN 0.800 nan 8.290 nan 0.000 0.461 292 T N 4.237 118.547 114.554 -0.407 0.000 2.771 292 T HA 0.549 4.899 4.350 0.001 0.000 0.281 292 T C -0.590 174.202 174.700 0.153 0.000 0.982 292 T CA -0.613 61.520 62.100 0.057 0.000 0.978 292 T CB 1.128 70.184 68.868 0.313 0.000 0.930 292 T HN 0.563 nan 8.240 nan 0.000 0.447 293 V N 1.956 122.022 119.914 0.253 0.000 2.370 293 V HA 0.674 4.795 4.120 0.001 0.000 0.279 293 V C -0.561 175.719 176.094 0.309 0.000 1.029 293 V CA -1.036 61.425 62.300 0.269 0.000 0.870 293 V CB 0.580 32.554 31.823 0.252 0.000 0.984 293 V HN 0.709 nan 8.190 nan 0.000 0.451 294 F N 5.448 125.492 119.950 0.156 0.000 2.371 294 F HA 0.758 5.288 4.527 0.005 0.000 0.363 294 F C 0.820 176.673 175.800 0.089 0.000 1.122 294 F CA -0.848 57.227 58.000 0.125 0.000 1.129 294 F CB 1.247 40.312 39.000 0.109 0.000 1.173 294 F HN 0.738 nan 8.300 nan 0.000 0.489 295 A N 4.647 127.228 122.820 -0.399 0.000 2.379 295 A HA 0.466 4.787 4.320 0.001 0.000 0.236 295 A C 0.692 177.910 177.584 -0.609 0.000 1.272 295 A CA 0.558 52.363 52.037 -0.386 0.000 0.886 295 A CB -1.171 17.758 19.000 -0.118 0.000 0.962 295 A HN 1.658 nan 8.150 nan 0.000 0.504 296 S N -1.277 113.663 115.700 -1.268 0.000 3.661 296 S HA -0.106 4.364 4.470 0.001 0.000 0.772 296 S C -0.183 174.236 174.600 -0.302 0.000 1.194 296 S CA 0.910 58.607 58.200 -0.839 0.000 1.148 296 S CB -1.533 61.403 63.200 -0.439 0.000 0.564 296 S HN 1.822 nan 8.310 nan 0.000 0.482 297 D N 0.447 120.812 120.400 -0.059 0.000 2.689 297 D HA 0.011 4.652 4.640 0.001 0.000 0.237 297 D C 1.288 177.738 176.300 0.250 0.000 1.148 297 D CA 3.244 57.294 54.000 0.084 0.000 0.656 297 D CB -1.528 39.281 40.800 0.015 0.000 1.050 297 D HN 2.465 nan 8.370 nan 0.000 0.426 298 G N 0.059 109.011 108.800 0.253 0.000 2.203 298 G HA2 -0.334 3.627 3.960 0.001 0.000 0.263 298 G HA3 -0.334 3.627 3.960 0.001 0.000 0.263 298 G C -0.007 174.985 174.900 0.152 0.000 1.012 298 G CA 0.545 45.751 45.100 0.176 0.000 0.749 298 G HN 0.724 nan 8.290 nan 0.000 0.512 299 H N 0.088 119.222 119.070 0.106 0.000 2.459 299 H HA 0.757 5.315 4.556 0.003 0.000 0.332 299 H C 0.356 175.776 175.328 0.153 0.000 1.094 299 H CA 0.446 56.567 56.048 0.122 0.000 1.224 299 H CB 1.887 31.664 29.762 0.024 0.000 1.449 299 H HN 0.833 nan 8.280 nan 0.000 0.484 300 A N 3.276 126.258 122.820 0.271 0.000 2.566 300 A HA 0.692 5.013 4.320 0.001 0.000 0.297 300 A C -1.121 176.555 177.584 0.154 0.000 1.059 300 A CA -0.739 51.459 52.037 0.268 0.000 0.691 300 A CB 1.581 20.786 19.000 0.341 0.000 1.282 300 A HN 0.682 nan 8.150 nan 0.000 0.401 301 R N 0.803 121.378 120.500 0.126 0.000 2.604 301 R HA 0.678 5.018 4.340 0.001 0.000 0.281 301 R C -1.276 174.930 176.300 -0.157 0.000 1.020 301 R CA -0.193 55.866 56.100 -0.067 0.000 0.899 301 R CB 2.063 32.285 30.300 -0.130 0.000 1.205 301 R HN 0.707 nan 8.270 nan 0.000 0.450 302 T N 3.937 118.302 114.554 -0.315 0.000 2.829 302 T HA 0.530 4.881 4.350 0.001 0.000 0.282 302 T C -0.999 173.355 174.700 -0.576 0.000 0.990 302 T CA -0.056 61.898 62.100 -0.242 0.000 1.028 302 T CB 0.465 69.279 68.868 -0.089 0.000 0.951 302 T HN 0.271 nan 8.240 nan 0.000 0.460 303 F N 1.371 121.256 119.950 -0.109 0.000 2.577 303 F HA 0.486 5.013 4.527 0.001 0.000 0.318 303 F C 0.481 176.018 175.800 -0.437 0.000 1.065 303 F CA -1.100 56.717 58.000 -0.304 0.000 0.929 303 F CB 1.825 40.583 39.000 -0.404 0.000 1.237 303 F HN 0.436 nan 8.300 nan 0.000 0.468 304 N N 0.403 118.867 118.700 -0.395 0.000 2.417 304 N HA 0.609 5.350 4.740 0.001 0.000 0.300 304 N C -1.841 173.228 175.510 -0.734 0.000 1.102 304 N CA -0.629 52.188 53.050 -0.388 0.000 0.886 304 N CB 1.487 39.839 38.487 -0.226 0.000 1.203 304 N HN 0.404 nan 8.380 nan 0.000 0.496 305 Y N -0.150 119.940 120.300 -0.350 0.000 2.562 305 Y HA 0.401 4.951 4.550 0.000 0.000 0.345 305 Y C -0.223 175.379 175.900 -0.496 0.000 1.045 305 Y CA -0.835 56.901 58.100 -0.607 0.000 1.028 305 Y CB 1.886 39.467 38.460 -1.464 0.000 1.297 305 Y HN 0.469 nan 8.280 nan 0.000 0.463 306 Q N 0.862 120.541 119.800 -0.202 0.000 2.737 306 Q HA 0.792 5.133 4.340 0.001 0.000 0.307 306 Q C -0.025 175.977 176.000 0.004 0.000 0.905 306 Q CA -0.666 55.091 55.803 -0.077 0.000 0.753 306 Q CB 1.752 30.466 28.738 -0.040 0.000 1.463 306 Q HN 0.879 nan 8.270 nan 0.000 0.455 307 A N 0.771 123.623 122.820 0.052 0.000 3.692 307 A HA -0.355 3.966 4.320 0.001 0.000 0.708 307 A C 1.452 179.072 177.584 0.060 0.000 1.269 307 A CA 2.937 55.021 52.037 0.078 0.000 2.375 307 A CB -2.407 16.649 19.000 0.093 0.000 1.339 307 A HN 1.507 nan 8.150 nan 0.000 0.762 308 G N -1.148 107.753 108.800 0.168 0.000 2.940 308 G HA2 -0.097 3.864 3.960 0.001 0.000 0.215 308 G HA3 -0.097 3.864 3.960 0.001 0.000 0.215 308 G C 0.315 175.354 174.900 0.232 0.000 1.322 308 G CA 1.514 46.830 45.100 0.358 0.000 0.781 308 G HN 1.402 nan 8.290 nan 0.000 0.728 309 D N -0.986 119.578 120.400 0.274 0.000 5.121 309 D HA -0.070 4.571 4.640 0.001 0.000 0.131 309 D C -0.033 176.413 176.300 0.244 0.000 1.322 309 D CA 0.663 54.793 54.000 0.217 0.000 1.059 309 D CB -0.065 40.821 40.800 0.143 0.000 0.877 309 D HN 0.245 nan 8.370 nan 0.000 0.447 310 V N 1.773 121.781 119.914 0.158 0.000 2.483 310 V HA 0.803 4.924 4.120 0.001 0.000 0.295 310 V C 1.165 177.196 176.094 -0.104 0.000 1.035 310 V CA 0.118 62.362 62.300 -0.093 0.000 0.896 310 V CB 1.994 33.729 31.823 -0.147 0.000 0.986 310 V HN 0.649 nan 8.190 nan 0.000 0.447 311 G N 2.323 110.898 108.800 -0.375 0.000 2.685 311 G HA2 0.707 4.668 3.960 0.001 0.000 0.298 311 G HA3 0.707 4.668 3.960 0.001 0.000 0.298 311 G C -2.202 172.512 174.900 -0.310 0.000 1.277 311 G CA -0.558 44.361 45.100 -0.303 0.000 0.986 311 G HN 0.516 nan 8.290 nan 0.000 0.487 312 Y N -0.925 119.174 120.300 -0.335 0.000 2.521 312 Y HA 0.500 5.052 4.550 0.003 0.000 0.332 312 Y C -1.206 174.578 175.900 -0.194 0.000 1.121 312 Y CA -0.720 57.229 58.100 -0.251 0.000 1.037 312 Y CB 2.376 40.731 38.460 -0.176 0.000 1.330 312 Y HN 0.472 nan 8.280 nan 0.000 0.452 313 V N 6.662 126.304 119.914 -0.455 0.000 2.445 313 V HA 0.364 4.485 4.120 0.001 0.000 0.283 313 V C -2.489 173.497 176.094 -0.180 0.000 1.014 313 V CA -1.932 60.198 62.300 -0.284 0.000 0.852 313 V CB 1.376 32.898 31.823 -0.502 0.000 1.021 313 V HN 0.592 nan 8.190 nan 0.000 0.435 314 P HA 0.009 nan 4.420 nan 0.000 0.267 314 P C -0.074 177.431 177.300 0.342 0.000 1.200 314 P CA -0.184 63.132 63.100 0.359 0.000 0.772 314 P CB 0.299 32.183 31.700 0.307 0.000 0.855 315 F N 3.506 123.623 119.950 0.279 0.000 2.500 315 F HA 0.031 4.558 4.527 -0.001 0.000 0.409 315 F C 1.294 177.122 175.800 0.046 0.000 0.982 315 F CA 0.816 58.799 58.000 -0.029 0.000 1.163 315 F CB -1.009 37.777 39.000 -0.358 0.000 0.942 315 F HN 0.664 nan 8.300 nan 0.000 0.535 316 A N 4.384 127.125 122.820 -0.133 0.000 3.396 316 A HA -0.314 4.007 4.320 0.001 0.000 0.267 316 A C 0.884 178.373 177.584 -0.159 0.000 1.139 316 A CA 1.176 53.039 52.037 -0.290 0.000 1.115 316 A CB -2.442 16.036 19.000 -0.870 0.000 1.133 316 A HN 0.723 nan 8.150 nan 0.000 0.920 317 M N 0.381 119.973 119.600 -0.014 0.000 2.238 317 M HA 0.380 4.861 4.480 0.001 0.000 0.347 317 M C 1.149 177.595 176.300 0.244 0.000 1.173 317 M CA 0.827 56.142 55.300 0.026 0.000 1.147 317 M CB 0.569 33.187 32.600 0.030 0.000 1.547 317 M HN 0.613 nan 8.290 nan 0.000 0.455 318 G N 2.610 111.584 108.800 0.290 0.000 2.442 318 G HA2 0.435 4.396 3.960 0.001 0.000 0.249 318 G HA3 0.435 4.396 3.960 0.001 0.000 0.249 318 G C -0.621 174.538 174.900 0.432 0.000 1.263 318 G CA -0.290 45.047 45.100 0.394 0.000 0.846 318 G HN 0.925 nan 8.290 nan 0.000 0.555 319 H N -0.550 118.580 119.070 0.099 0.000 2.932 319 H HA 0.546 5.104 4.556 0.003 0.000 0.307 319 H C -1.676 173.730 175.328 0.130 0.000 1.391 319 H CA -1.155 54.931 56.048 0.065 0.000 1.130 319 H CB 1.073 30.823 29.762 -0.022 0.000 1.836 319 H HN 0.824 nan 8.280 nan 0.000 0.522 320 Y N -1.292 119.118 120.300 0.183 0.000 2.638 320 Y HA 0.658 5.209 4.550 0.002 0.000 0.335 320 Y C -2.072 173.980 175.900 0.253 0.000 1.155 320 Y CA -1.202 57.018 58.100 0.201 0.000 1.046 320 Y CB 1.257 39.820 38.460 0.171 0.000 1.303 320 Y HN 0.442 nan 8.280 nan 0.000 0.460 321 V N 1.966 122.085 119.914 0.342 0.000 2.462 321 V HA 0.333 4.454 4.120 0.001 0.000 0.288 321 V C -0.789 175.510 176.094 0.342 0.000 1.020 321 V CA -0.698 61.714 62.300 0.187 0.000 0.857 321 V CB 1.208 33.060 31.823 0.048 0.000 1.013 321 V HN 0.838 nan 8.190 nan 0.000 0.431 322 E N 4.166 124.588 120.200 0.371 0.000 2.197 322 E HA 0.295 4.645 4.350 0.001 0.000 0.281 322 E C -0.298 176.436 176.600 0.223 0.000 0.995 322 E CA -0.715 55.881 56.400 0.327 0.000 0.808 322 E CB 1.076 31.001 29.700 0.375 0.000 1.093 322 E HN 0.639 nan 8.360 nan 0.000 0.394 323 N N 4.826 123.645 118.700 0.197 0.000 2.420 323 N HA 0.048 4.789 4.740 0.001 0.000 0.262 323 N C 0.251 175.834 175.510 0.123 0.000 1.144 323 N CA -0.074 53.074 53.050 0.162 0.000 0.952 323 N CB 0.469 39.049 38.487 0.156 0.000 1.081 323 N HN 0.639 nan 8.380 nan 0.000 0.480 324 I N 0.605 121.235 120.570 0.101 0.000 3.877 324 I HA 0.529 4.700 4.170 0.001 0.000 0.332 324 I C 0.615 176.767 176.117 0.058 0.000 1.525 324 I CA -0.706 60.639 61.300 0.075 0.000 1.146 324 I CB 0.391 38.429 38.000 0.063 0.000 1.137 324 I HN 0.270 nan 8.210 nan 0.000 0.424 325 G N 0.206 109.046 108.800 0.066 0.000 3.013 325 G HA2 0.320 4.281 3.960 0.001 0.000 0.278 325 G HA3 0.320 4.281 3.960 0.001 0.000 0.278 325 G C -0.403 174.531 174.900 0.057 0.000 1.353 325 G CA -0.290 44.844 45.100 0.056 0.000 1.043 325 G HN 0.108 nan 8.290 nan 0.000 0.523 326 D N -0.442 119.988 120.400 0.050 0.000 2.354 326 D HA 0.090 4.731 4.640 0.001 0.000 0.209 326 D C 0.306 176.638 176.300 0.053 0.000 1.015 326 D CA 0.609 54.637 54.000 0.047 0.000 0.867 326 D CB 0.858 41.681 40.800 0.038 0.000 0.933 326 D HN 0.247 nan 8.370 nan 0.000 0.520 327 E N 0.889 121.126 120.200 0.061 0.000 2.243 327 E HA 0.399 4.750 4.350 0.001 0.000 0.260 327 E C -2.406 174.244 176.600 0.083 0.000 0.985 327 E CA -2.249 54.192 56.400 0.068 0.000 0.858 327 E CB 0.750 30.490 29.700 0.068 0.000 1.210 327 E HN -0.141 nan 8.360 nan 0.000 0.411 328 P HA 0.030 nan 4.420 nan 0.000 0.269 328 P C -0.579 176.799 177.300 0.130 0.000 1.209 328 P CA -0.227 62.935 63.100 0.102 0.000 0.776 328 P CB 0.355 32.111 31.700 0.092 0.000 0.876 329 L N 4.476 125.797 121.223 0.162 0.000 2.287 329 L HA 0.488 4.829 4.340 0.001 0.000 0.287 329 L C -1.229 175.786 176.870 0.242 0.000 1.022 329 L CA -0.272 54.707 54.840 0.232 0.000 0.814 329 L CB 1.184 43.417 42.059 0.290 0.000 1.217 329 L HN 0.038 nan 8.230 nan 0.000 0.420 330 V N 6.841 126.895 119.914 0.234 0.000 2.483 330 V HA 0.620 4.741 4.120 0.001 0.000 0.297 330 V C -0.512 175.671 176.094 0.149 0.000 1.027 330 V CA -0.429 61.947 62.300 0.128 0.000 0.855 330 V CB 1.066 32.945 31.823 0.093 0.000 0.995 330 V HN 0.717 nan 8.190 nan 0.000 0.424 331 F N 3.291 123.171 119.950 -0.116 0.000 2.662 331 F HA 0.872 5.400 4.527 0.001 0.000 0.312 331 F C -1.545 174.114 175.800 -0.235 0.000 1.113 331 F CA -1.369 56.445 58.000 -0.310 0.000 0.951 331 F CB 1.606 40.175 39.000 -0.719 0.000 1.344 331 F HN 0.243 nan 8.300 nan 0.000 0.462 332 L N 1.592 122.778 121.223 -0.062 0.000 2.325 332 L HA 0.535 4.876 4.340 0.001 0.000 0.278 332 L C -0.845 176.030 176.870 0.008 0.000 1.023 332 L CA -0.666 54.135 54.840 -0.066 0.000 0.811 332 L CB 1.986 44.072 42.059 0.046 0.000 1.249 332 L HN 0.691 nan 8.230 nan 0.000 0.431 333 E N 4.243 124.422 120.200 -0.035 0.000 2.155 333 E HA 0.500 4.851 4.350 0.001 0.000 0.264 333 E C -1.113 175.298 176.600 -0.314 0.000 0.886 333 E CA -0.602 55.740 56.400 -0.095 0.000 0.752 333 E CB 2.263 32.078 29.700 0.191 0.000 1.133 333 E HN 0.261 nan 8.360 nan 0.000 0.414 334 I N 3.298 123.540 120.570 -0.546 0.000 2.474 334 I HA 0.460 4.631 4.170 0.001 0.000 0.294 334 I C -0.601 174.991 176.117 -0.876 0.000 1.005 334 I CA -0.780 60.184 61.300 -0.561 0.000 1.113 334 I CB 0.768 38.562 38.000 -0.343 0.000 1.289 334 I HN 0.473 nan 8.210 nan 0.000 0.436 335 F N 3.372 123.207 119.950 -0.193 0.000 2.556 335 F HA 0.376 4.904 4.527 0.000 0.000 0.314 335 F C 0.474 176.168 175.800 -0.177 0.000 1.106 335 F CA -0.902 56.993 58.000 -0.176 0.000 0.911 335 F CB 1.820 40.686 39.000 -0.223 0.000 1.190 335 F HN 0.292 nan 8.300 nan 0.000 0.448 336 K N 3.037 123.453 120.400 0.027 0.000 2.142 336 K HA 0.261 4.582 4.320 0.001 0.000 0.250 336 K C -1.343 175.240 176.600 -0.028 0.000 1.148 336 K CA 0.198 56.482 56.287 -0.005 0.000 1.040 336 K CB -0.080 32.433 32.500 0.020 0.000 1.569 336 K HN 0.710 nan 8.250 nan 0.000 0.361 337 D N 0.943 121.308 120.400 -0.058 0.000 2.692 337 D HA -0.006 4.635 4.640 0.001 0.000 0.290 337 D C -0.603 175.632 176.300 -0.107 0.000 1.281 337 D CA -0.421 53.511 54.000 -0.114 0.000 0.804 337 D CB 1.243 41.890 40.800 -0.255 0.000 1.331 337 D HN 0.468 nan 8.370 nan 0.000 0.432 338 D N -0.692 119.671 120.400 -0.062 0.000 2.328 338 D HA 0.090 4.731 4.640 0.001 0.000 0.221 338 D C 0.181 176.507 176.300 0.044 0.000 1.072 338 D CA 0.545 54.528 54.000 -0.028 0.000 0.850 338 D CB -0.400 40.400 40.800 -0.001 0.000 0.922 338 D HN 0.540 nan 8.370 nan 0.000 0.516 339 H N -4.191 114.824 119.070 -0.092 0.000 3.037 339 H HA 0.447 5.004 4.556 0.002 0.000 0.336 339 H C -2.021 173.244 175.328 -0.104 0.000 1.323 339 H CA -1.411 54.590 56.048 -0.079 0.000 1.159 339 H CB 0.382 30.093 29.762 -0.085 0.000 1.882 339 H HN -0.092 nan 8.280 nan 0.000 0.535 340 Y N 1.972 122.165 120.300 -0.179 0.000 2.323 340 Y HA 0.733 5.284 4.550 0.002 0.000 0.331 340 Y C -0.973 174.815 175.900 -0.186 0.000 1.092 340 Y CA 0.024 57.920 58.100 -0.340 0.000 1.150 340 Y CB 1.119 39.450 38.460 -0.214 0.000 1.200 340 Y HN 1.048 nan 8.280 nan 0.000 0.472 341 A N 5.592 127.812 122.820 -1.000 0.000 2.547 341 A HA 0.588 4.909 4.320 0.001 0.000 0.297 341 A C -1.961 175.267 177.584 -0.594 0.000 1.056 341 A CA -0.492 51.232 52.037 -0.522 0.000 0.688 341 A CB 1.300 20.214 19.000 -0.144 0.000 1.282 341 A HN 0.781 nan 8.150 nan 0.000 0.400 342 D N 0.271 120.439 120.400 -0.388 0.000 2.609 342 D HA 0.518 5.159 4.640 0.001 0.000 0.239 342 D C -1.676 174.361 176.300 -0.439 0.000 1.229 342 D CA -0.393 53.379 54.000 -0.380 0.000 0.808 342 D CB 1.642 42.285 40.800 -0.262 0.000 1.448 342 D HN 0.444 nan 8.370 nan 0.000 0.433 343 V N 0.801 120.282 119.914 -0.722 0.000 2.444 343 V HA 0.428 4.549 4.120 0.001 0.000 0.294 343 V C 0.143 175.835 176.094 -0.670 0.000 1.022 343 V CA -0.758 61.020 62.300 -0.871 0.000 0.850 343 V CB 1.310 32.136 31.823 -1.662 0.000 0.992 343 V HN 0.692 nan 8.190 nan 0.000 0.426 344 S N 4.111 119.619 115.700 -0.321 0.000 2.513 344 S HA 0.297 4.768 4.470 0.001 0.000 0.276 344 S C 0.836 175.469 174.600 0.055 0.000 1.254 344 S CA -0.560 57.584 58.200 -0.093 0.000 1.053 344 S CB 1.035 64.205 63.200 -0.050 0.000 0.958 344 S HN 0.677 nan 8.310 nan 0.000 0.491 345 L N 5.781 127.123 121.223 0.198 0.000 2.012 345 L HA -0.048 4.293 4.340 0.001 0.000 0.210 345 L C 2.246 179.276 176.870 0.268 0.000 1.073 345 L CA 2.022 57.097 54.840 0.392 0.000 0.748 345 L CB -1.184 41.089 42.059 0.356 0.000 0.891 345 L HN 0.855 nan 8.230 nan 0.000 0.431 346 N N -0.294 118.501 118.700 0.159 0.000 2.043 346 N HA -0.289 4.452 4.740 0.001 0.000 0.193 346 N C 1.970 177.526 175.510 0.077 0.000 1.037 346 N CA 2.052 55.156 53.050 0.089 0.000 0.851 346 N CB -0.268 38.260 38.487 0.069 0.000 1.027 346 N HN 0.651 nan 8.380 nan 0.000 0.422 347 Q N -1.031 118.815 119.800 0.076 0.000 2.135 347 Q HA -0.175 4.166 4.340 0.001 0.000 0.204 347 Q C 1.969 178.056 176.000 0.145 0.000 0.981 347 Q CA 1.566 57.404 55.803 0.059 0.000 0.856 347 Q CB -0.368 28.372 28.738 0.002 0.000 0.902 347 Q HN 0.517 nan 8.270 nan 0.000 0.425 348 W N 1.194 122.480 121.300 -0.024 0.000 2.332 348 W HA -0.215 4.446 4.660 0.003 0.000 0.321 348 W C 1.522 178.065 176.519 0.039 0.000 1.219 348 W CA 1.630 58.982 57.345 0.011 0.000 1.277 348 W CB -0.787 28.704 29.460 0.052 0.000 1.161 348 W HN 0.181 nan 8.180 nan 0.000 0.476 349 L N 0.813 121.999 121.223 -0.063 0.000 2.141 349 L HA -0.119 4.222 4.340 0.001 0.000 0.209 349 L C 2.630 179.456 176.870 -0.073 0.000 1.094 349 L CA 1.262 55.964 54.840 -0.229 0.000 0.763 349 L CB -1.494 40.451 42.059 -0.191 0.000 0.908 349 L HN 0.087 nan 8.230 nan 0.000 0.437 350 A N -0.489 122.321 122.820 -0.015 0.000 2.015 350 A HA -0.113 4.208 4.320 0.001 0.000 0.219 350 A C 2.006 179.598 177.584 0.013 0.000 1.163 350 A CA 1.167 53.197 52.037 -0.012 0.000 0.646 350 A CB -0.214 18.781 19.000 -0.008 0.000 0.806 350 A HN 0.303 nan 8.150 nan 0.000 0.448 351 M N -0.158 119.471 119.600 0.048 0.000 2.493 351 M HA 0.382 4.863 4.480 0.001 0.000 0.244 351 M C -0.446 175.897 176.300 0.072 0.000 1.182 351 M CA 0.403 55.741 55.300 0.063 0.000 0.981 351 M CB -0.866 31.787 32.600 0.088 0.000 1.551 351 M HN 0.212 nan 8.290 nan 0.000 0.476 352 L N 0.010 121.265 121.223 0.054 0.000 2.323 352 L HA 0.541 4.882 4.340 0.001 0.000 0.265 352 L C -2.138 174.773 176.870 0.068 0.000 1.012 352 L CA -2.056 52.828 54.840 0.073 0.000 0.820 352 L CB 1.390 43.507 42.059 0.097 0.000 1.334 352 L HN -0.089 nan 8.230 nan 0.000 0.427 353 P HA -0.004 nan 4.420 nan 0.000 0.264 353 P C 0.320 177.692 177.300 0.120 0.000 1.193 353 P CA 0.117 63.263 63.100 0.076 0.000 0.763 353 P CB 0.701 32.431 31.700 0.049 0.000 0.810 354 E N 1.907 122.154 120.200 0.078 0.000 2.070 354 E HA -0.244 4.107 4.350 0.001 0.000 0.197 354 E C 1.443 178.102 176.600 0.098 0.000 1.004 354 E CA 2.164 58.607 56.400 0.071 0.000 0.805 354 E CB -0.167 29.559 29.700 0.045 0.000 0.744 354 E HN 0.611 nan 8.360 nan 0.000 0.451 355 T N -1.491 113.129 114.554 0.109 0.000 2.915 355 T HA -0.155 4.196 4.350 0.001 0.000 0.269 355 T C 1.670 176.477 174.700 0.178 0.000 1.071 355 T CA 0.853 63.022 62.100 0.115 0.000 1.132 355 T CB -0.413 68.515 68.868 0.099 0.000 0.878 355 T HN 0.193 nan 8.240 nan 0.000 0.479 356 F N 1.958 121.936 119.950 0.048 0.000 2.163 356 F HA 0.123 4.650 4.527 0.001 0.000 0.297 356 F C 2.249 178.134 175.800 0.141 0.000 1.094 356 F CA 0.272 58.327 58.000 0.093 0.000 1.290 356 F CB -0.472 38.569 39.000 0.067 0.000 1.017 356 F HN 0.006 nan 8.300 nan 0.000 0.483 357 V N 0.140 120.101 119.914 0.079 0.000 2.358 357 V HA -0.293 3.827 4.120 0.001 0.000 0.246 357 V C 2.266 178.355 176.094 -0.009 0.000 1.047 357 V CA 2.043 64.304 62.300 -0.065 0.000 1.035 357 V CB -0.753 31.055 31.823 -0.025 0.000 0.658 357 V HN 0.342 nan 8.190 nan 0.000 0.452 358 Q N -0.137 119.685 119.800 0.037 0.000 2.124 358 Q HA -0.167 4.174 4.340 0.001 0.000 0.202 358 Q C 2.391 178.380 176.000 -0.018 0.000 0.977 358 Q CA 1.743 57.560 55.803 0.022 0.000 0.850 358 Q CB -0.408 28.355 28.738 0.042 0.000 0.901 358 Q HN 0.678 nan 8.270 nan 0.000 0.429 359 A N 0.116 122.922 122.820 -0.022 0.000 1.972 359 A HA -0.215 4.106 4.320 0.001 0.000 0.219 359 A C 1.399 178.874 177.584 -0.181 0.000 1.169 359 A CA 1.628 53.610 52.037 -0.091 0.000 0.635 359 A CB -0.499 18.443 19.000 -0.096 0.000 0.810 359 A HN 0.353 nan 8.150 nan 0.000 0.446 360 H N -0.469 118.445 119.070 -0.260 0.000 2.343 360 H HA 0.157 4.714 4.556 0.001 0.000 0.303 360 H C 1.703 176.911 175.328 -0.200 0.000 1.068 360 H CA 1.654 57.545 56.048 -0.261 0.000 1.359 360 H CB -0.076 29.484 29.762 -0.338 0.000 1.402 360 H HN 0.363 nan 8.280 nan 0.000 0.515 361 L N -0.102 121.083 121.223 -0.064 0.000 2.558 361 L HA 0.014 4.355 4.340 0.001 0.000 0.225 361 L C -0.016 176.764 176.870 -0.149 0.000 1.128 361 L CA 0.192 54.944 54.840 -0.145 0.000 0.868 361 L CB 0.128 42.043 42.059 -0.240 0.000 1.006 361 L HN 0.243 nan 8.230 nan 0.000 0.454 362 D N 0.775 121.109 120.400 -0.110 0.000 2.870 362 D HA -0.163 4.478 4.640 0.001 0.000 0.228 362 D C -0.196 176.047 176.300 -0.096 0.000 1.147 362 D CA 0.914 54.859 54.000 -0.093 0.000 0.757 362 D CB -1.292 39.452 40.800 -0.093 0.000 1.091 362 D HN 0.268 nan 8.370 nan 0.000 0.429 363 L N -0.786 120.377 121.223 -0.100 0.000 2.303 363 L HA 0.757 5.098 4.340 0.001 0.000 0.266 363 L C 1.502 178.372 176.870 0.000 0.000 1.011 363 L CA -0.715 54.075 54.840 -0.083 0.000 0.818 363 L CB 1.840 43.777 42.059 -0.204 0.000 1.326 363 L HN 0.025 nan 8.230 nan 0.000 0.435 364 G N -0.567 108.256 108.800 0.039 0.000 2.671 364 G HA2 0.225 4.186 3.960 0.001 0.000 0.275 364 G HA3 0.225 4.186 3.960 0.001 0.000 0.275 364 G C 0.365 175.320 174.900 0.091 0.000 1.368 364 G CA -0.386 44.747 45.100 0.054 0.000 1.044 364 G HN 0.677 nan 8.290 nan 0.000 0.543 365 K N -0.671 119.765 120.400 0.061 0.000 2.211 365 K HA -0.112 4.209 4.320 0.001 0.000 0.204 365 K C 1.622 178.252 176.600 0.050 0.000 1.047 365 K CA 1.564 57.881 56.287 0.050 0.000 0.935 365 K CB -0.052 32.466 32.500 0.029 0.000 0.728 365 K HN 0.399 nan 8.250 nan 0.000 0.452 366 D N -0.158 120.279 120.400 0.062 0.000 2.182 366 D HA -0.183 4.458 4.640 0.001 0.000 0.201 366 D C 1.523 177.871 176.300 0.080 0.000 0.986 366 D CA 0.986 55.020 54.000 0.057 0.000 0.847 366 D CB -0.043 40.793 40.800 0.059 0.000 0.942 366 D HN 0.236 nan 8.370 nan 0.000 0.467 367 F N 1.589 121.528 119.950 -0.018 0.000 2.147 367 F HA -0.125 4.402 4.527 0.001 0.000 0.291 367 F C 2.538 178.325 175.800 -0.022 0.000 1.093 367 F CA 1.767 59.754 58.000 -0.023 0.000 1.263 367 F CB -0.701 38.281 39.000 -0.031 0.000 1.036 367 F HN -0.103 nan 8.300 nan 0.000 0.481 368 T N -2.269 112.277 114.554 -0.014 0.000 2.897 368 T HA -0.188 4.162 4.350 0.001 0.000 0.271 368 T C 1.491 176.097 174.700 -0.156 0.000 1.084 368 T CA 1.491 63.522 62.100 -0.115 0.000 1.123 368 T CB -0.661 68.222 68.868 0.024 0.000 0.865 368 T HN 0.220 nan 8.240 nan 0.000 0.496 369 D N 1.400 121.731 120.400 -0.114 0.000 2.264 369 D HA -0.040 4.600 4.640 0.001 0.000 0.208 369 D C 2.241 178.464 176.300 -0.129 0.000 0.966 369 D CA 1.156 55.102 54.000 -0.091 0.000 0.864 369 D CB -0.046 40.723 40.800 -0.050 0.000 0.933 369 D HN 0.585 nan 8.370 nan 0.000 0.499 370 V N -1.512 118.271 119.914 -0.219 0.000 3.541 370 V HA 0.133 4.253 4.120 0.001 0.000 0.267 370 V C 1.003 176.968 176.094 -0.214 0.000 1.213 370 V CA -0.066 62.108 62.300 -0.210 0.000 1.149 370 V CB -0.690 30.989 31.823 -0.241 0.000 0.822 370 V HN -0.065 nan 8.190 nan 0.000 0.462 371 L N 1.955 123.025 121.223 -0.255 0.000 2.456 371 L HA 0.336 4.676 4.340 0.001 0.000 0.272 371 L C 0.537 177.362 176.870 -0.075 0.000 1.189 371 L CA 0.742 55.475 54.840 -0.179 0.000 0.846 371 L CB 0.913 42.865 42.059 -0.177 0.000 1.111 371 L HN 0.323 nan 8.230 nan 0.000 0.475 372 S N 1.284 116.971 115.700 -0.022 0.000 2.482 372 S HA 0.309 4.780 4.470 0.001 0.000 0.303 372 S C 0.535 175.137 174.600 0.005 0.000 1.091 372 S CA -0.833 57.382 58.200 0.026 0.000 1.057 372 S CB 1.440 64.720 63.200 0.133 0.000 1.031 372 S HN 0.632 nan 8.310 nan 0.000 0.485 373 K N 1.818 122.215 120.400 -0.005 0.000 2.432 373 K HA 0.094 4.415 4.320 0.001 0.000 0.196 373 K C -0.297 176.267 176.600 -0.060 0.000 1.038 373 K CA 0.550 56.825 56.287 -0.020 0.000 0.986 373 K CB 0.100 32.593 32.500 -0.012 0.000 0.782 373 K HN 0.504 nan 8.250 nan 0.000 0.485 374 E N 1.524 121.664 120.200 -0.101 0.000 2.216 374 E HA 0.133 4.484 4.350 0.001 0.000 0.279 374 E C -0.799 175.526 176.600 -0.458 0.000 0.997 374 E CA -0.398 55.859 56.400 -0.239 0.000 0.817 374 E CB 1.339 30.900 29.700 -0.231 0.000 1.096 374 E HN -0.074 nan 8.360 nan 0.000 0.393 375 K N 2.815 122.981 120.400 -0.389 0.000 2.297 375 K HA 0.125 4.446 4.320 0.001 0.000 0.286 375 K C -0.847 175.465 176.600 -0.479 0.000 1.053 375 K CA -0.392 55.693 56.287 -0.337 0.000 0.940 375 K CB 0.384 32.779 32.500 -0.174 0.000 1.019 375 K HN 0.574 nan 8.250 nan 0.000 0.475 376 H N 5.652 124.707 119.070 -0.026 0.000 2.736 376 H HA 0.157 4.714 4.556 0.001 0.000 0.271 376 H C -2.101 173.212 175.328 -0.025 0.000 1.184 376 H CA -2.205 53.828 56.048 -0.026 0.000 1.378 376 H CB 1.508 31.260 29.762 -0.017 0.000 1.428 376 H HN 0.554 nan 8.280 nan 0.000 0.500 377 P HA -0.161 nan 4.420 nan 0.000 0.216 377 P C 0.268 177.590 177.300 0.036 0.000 1.153 377 P CA 1.034 64.129 63.100 -0.009 0.000 0.858 377 P CB 0.544 32.216 31.700 -0.046 0.000 0.789 378 V N -0.011 119.937 119.914 0.056 0.000 2.444 378 V HA 0.303 4.424 4.120 0.001 0.000 0.294 378 V C 0.286 176.421 176.094 0.068 0.000 1.022 378 V CA -0.835 61.509 62.300 0.074 0.000 0.850 378 V CB 1.852 33.710 31.823 0.057 0.000 0.992 378 V HN -0.150 nan 8.190 nan 0.000 0.426 379 V N 0.000 119.958 119.914 0.073 0.000 2.409 379 V HA 0.000 4.121 4.120 0.001 0.000 0.244 379 V CA 0.000 62.324 62.300 0.039 0.000 1.235 379 V CB 0.000 31.846 31.823 0.038 0.000 1.184 379 V HN 0.000 nan 8.190 nan 0.000 0.556