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 2eq7_1_A DATA FIRST_RESID 1 DATA SEQUENCE MYDLLVIGAG PGGYVAAIRA AQLGMKVGVV EKEKALGGTc LRVGcIPSKA DATA SEQUENCE LLETTERIYE AKKGLLGAKV KGVELDLPAL MAHKDKVVQA NTQGVEFLFK DATA SEQUENCE KNGIARHQGT ARFLSERKVL VEETGEELEA RYILIATGSA PLIPPWAQVD DATA SEQUENCE YERVVTSTEA LSFPEVPKRL IVVGGGVIGL ELGVVWHRLG AEVIVLEYMD DATA SEQUENCE RILPTMDLEV SRAAERVFKK QGLTIRTGVR VTAVVPEAKG ARVELEGGEV DATA SEQUENCE LEADRVLVAV GRRPYTEGLS LENAGLSTDE RGRIPVDEHL RTRVPHIYAI DATA SEQUENCE GDVVRGPMLA HKASEEGIAA VEHMVRGFGH VDYQAIPSVV YTHPEIAAVG DATA SEQUENCE YTEEELKAQG IPYKVGKFPY SASGRARAMG ETEGFIKVLA HAKTDRILGV DATA SEQUENCE HGIGARVGDV LAEAALALFF KASAEDLGRA PHAHPSLSEI LKEAALAAWE DATA SEQUENCE RP 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.207 176.300 -0.156 0.000 1.140 1 M CA 0.000 55.210 55.300 -0.150 0.000 0.988 1 M CB 0.000 32.572 32.600 -0.047 0.000 1.302 2 Y N 0.997 121.300 120.300 0.005 0.000 2.299 2 Y HA 0.217 4.768 4.550 0.001 0.000 0.335 2 Y C 0.997 176.912 175.900 0.025 0.000 1.287 2 Y CA 0.210 58.320 58.100 0.016 0.000 1.424 2 Y CB 0.386 38.860 38.460 0.023 0.000 1.326 2 Y HN 0.685 nan 8.280 nan 0.000 0.567 3 D N 0.410 120.945 120.400 0.225 0.000 2.183 3 D HA 0.001 4.641 4.640 0.001 0.000 0.205 3 D C -0.369 176.068 176.300 0.229 0.000 0.962 3 D CA 1.157 55.263 54.000 0.177 0.000 0.849 3 D CB 0.333 41.220 40.800 0.144 0.000 0.978 3 D HN 0.182 nan 8.370 nan 0.000 0.488 4 L N 0.663 121.999 121.223 0.189 0.000 2.436 4 L HA 0.425 4.765 4.340 0.001 0.000 0.268 4 L C -1.883 175.001 176.870 0.024 0.000 0.974 4 L CA -0.907 54.013 54.840 0.133 0.000 0.826 4 L CB 2.197 44.286 42.059 0.050 0.000 1.291 4 L HN -0.247 nan 8.230 nan 0.000 0.406 5 L N 5.905 127.146 121.223 0.031 0.000 2.325 5 L HA 0.742 5.082 4.340 0.001 0.000 0.281 5 L C -1.250 175.594 176.870 -0.044 0.000 1.004 5 L CA -0.300 54.492 54.840 -0.081 0.000 0.823 5 L CB 1.822 43.866 42.059 -0.025 0.000 1.236 5 L HN 0.431 nan 8.230 nan 0.000 0.415 6 V N 6.601 126.463 119.914 -0.086 0.000 2.398 6 V HA 0.460 4.581 4.120 0.001 0.000 0.286 6 V C 0.114 176.198 176.094 -0.017 0.000 1.026 6 V CA -0.454 61.829 62.300 -0.029 0.000 0.868 6 V CB 1.613 33.419 31.823 -0.028 0.000 0.982 6 V HN 0.577 nan 8.190 nan 0.000 0.443 7 I N 4.543 125.118 120.570 0.008 0.000 2.328 7 I HA 0.718 4.889 4.170 0.001 0.000 0.287 7 I C 0.649 176.797 176.117 0.052 0.000 1.012 7 I CA -0.060 61.244 61.300 0.008 0.000 1.195 7 I CB 1.189 39.176 38.000 -0.022 0.000 1.350 7 I HN 0.884 nan 8.210 nan 0.000 0.464 8 G N 4.449 113.289 108.800 0.067 0.000 3.069 8 G HA2 0.141 4.101 3.960 0.001 0.000 0.686 8 G HA3 0.141 4.101 3.960 0.001 0.000 0.686 8 G C -0.449 174.522 174.900 0.118 0.000 1.161 8 G CA -0.337 44.814 45.100 0.085 0.000 0.804 8 G HN 0.894 nan 8.290 nan 0.000 0.608 9 A N 1.436 124.338 122.820 0.136 0.000 2.793 9 A HA 0.797 5.118 4.320 0.001 0.000 0.301 9 A C 1.267 179.001 177.584 0.251 0.000 1.172 9 A CA 1.090 53.258 52.037 0.219 0.000 0.973 9 A CB -0.146 18.967 19.000 0.189 0.000 1.164 9 A HN 2.127 nan 8.150 nan 0.000 0.542 10 G N -0.164 108.734 108.800 0.163 0.000 2.525 10 G HA2 0.445 4.406 3.960 0.001 0.000 0.287 10 G HA3 0.445 4.406 3.960 0.001 0.000 0.287 10 G C -1.362 173.524 174.900 -0.024 0.000 1.350 10 G CA -1.219 43.962 45.100 0.135 0.000 1.039 10 G HN 0.076 nan 8.290 nan 0.000 0.513 11 P HA -0.131 nan 4.420 nan 0.000 0.217 11 P C 1.936 178.938 177.300 -0.498 0.000 1.151 11 P CA 1.994 64.754 63.100 -0.567 0.000 0.849 11 P CB 0.045 31.617 31.700 -0.214 0.000 0.787 12 G N -0.704 107.962 108.800 -0.225 0.000 2.424 12 G HA2 -0.153 3.808 3.960 0.001 0.000 0.214 12 G HA3 -0.153 3.808 3.960 0.001 0.000 0.214 12 G C 1.806 176.642 174.900 -0.108 0.000 1.202 12 G CA 0.872 45.888 45.100 -0.139 0.000 0.793 12 G HN 0.349 nan 8.290 nan 0.000 0.534 13 G N 0.412 109.190 108.800 -0.037 0.000 2.404 13 G HA2 -0.181 3.780 3.960 0.001 0.000 0.215 13 G HA3 -0.181 3.780 3.960 0.001 0.000 0.215 13 G C 1.740 176.727 174.900 0.144 0.000 1.174 13 G CA 1.387 46.518 45.100 0.051 0.000 0.780 13 G HN 0.627 nan 8.290 nan 0.000 0.537 14 Y N 0.508 120.907 120.300 0.165 0.000 2.373 14 Y HA 0.172 4.723 4.550 0.001 0.000 0.293 14 Y C 2.289 178.323 175.900 0.223 0.000 1.129 14 Y CA 0.660 58.946 58.100 0.310 0.000 1.226 14 Y CB -0.698 37.866 38.460 0.174 0.000 1.000 14 Y HN 0.013 nan 8.280 nan 0.000 0.549 15 V N 1.142 121.010 119.914 -0.075 0.000 2.488 15 V HA -0.149 3.972 4.120 0.001 0.000 0.246 15 V C 2.839 178.940 176.094 0.011 0.000 1.046 15 V CA 1.482 63.772 62.300 -0.017 0.000 1.053 15 V CB -1.236 30.475 31.823 -0.187 0.000 0.679 15 V HN 0.598 nan 8.190 nan 0.000 0.458 16 A N 0.283 123.087 122.820 -0.026 0.000 1.902 16 A HA -0.152 4.169 4.320 0.001 0.000 0.217 16 A C 2.438 180.002 177.584 -0.033 0.000 1.181 16 A CA 2.165 54.178 52.037 -0.041 0.000 0.623 16 A CB -0.800 18.170 19.000 -0.050 0.000 0.818 16 A HN 0.552 nan 8.150 nan 0.000 0.443 17 A N 0.004 122.823 122.820 -0.003 0.000 1.883 17 A HA -0.122 4.199 4.320 0.001 0.000 0.217 17 A C 2.144 179.689 177.584 -0.065 0.000 1.186 17 A CA 1.631 53.618 52.037 -0.083 0.000 0.624 17 A CB -0.656 18.226 19.000 -0.196 0.000 0.822 17 A HN 0.508 nan 8.150 nan 0.000 0.444 18 I N -1.190 119.408 120.570 0.047 0.000 2.179 18 I HA -0.250 3.921 4.170 0.001 0.000 0.242 18 I C 2.697 178.824 176.117 0.017 0.000 1.088 18 I CA 1.742 63.080 61.300 0.063 0.000 1.357 18 I CB -0.274 37.823 38.000 0.162 0.000 1.051 18 I HN 0.276 nan 8.210 nan 0.000 0.409 19 R N 1.650 122.153 120.500 0.005 0.000 2.081 19 R HA -0.118 4.223 4.340 0.001 0.000 0.235 19 R C 2.193 178.465 176.300 -0.047 0.000 1.131 19 R CA 1.880 57.967 56.100 -0.022 0.000 0.960 19 R CB -0.808 29.468 30.300 -0.039 0.000 0.856 19 R HN 0.355 nan 8.270 nan 0.000 0.436 20 A N 0.210 122.992 122.820 -0.064 0.000 1.908 20 A HA -0.068 4.252 4.320 0.001 0.000 0.218 20 A C 2.381 179.932 177.584 -0.055 0.000 1.181 20 A CA 1.923 53.913 52.037 -0.077 0.000 0.627 20 A CB -1.111 17.835 19.000 -0.090 0.000 0.818 20 A HN 0.482 nan 8.150 nan 0.000 0.445 21 A N -0.653 122.136 122.820 -0.052 0.000 1.933 21 A HA -0.212 4.109 4.320 0.001 0.000 0.218 21 A C 2.077 179.647 177.584 -0.024 0.000 1.175 21 A CA 1.608 53.620 52.037 -0.040 0.000 0.628 21 A CB -0.578 18.391 19.000 -0.051 0.000 0.814 21 A HN 0.673 nan 8.150 nan 0.000 0.444 22 Q N -0.608 119.181 119.800 -0.019 0.000 2.291 22 Q HA 0.019 4.359 4.340 0.001 0.000 0.205 22 Q C 1.406 177.396 176.000 -0.017 0.000 0.970 22 Q CA 0.890 56.687 55.803 -0.010 0.000 0.876 22 Q CB -0.224 28.512 28.738 -0.004 0.000 0.935 22 Q HN 0.654 nan 8.270 nan 0.000 0.455 23 L N -0.897 120.309 121.223 -0.030 0.000 2.592 23 L HA 0.176 4.516 4.340 0.001 0.000 0.227 23 L C 1.031 177.887 176.870 -0.024 0.000 1.127 23 L CA 0.365 55.184 54.840 -0.035 0.000 0.884 23 L CB 0.164 42.186 42.059 -0.063 0.000 1.065 23 L HN 0.399 nan 8.230 nan 0.000 0.457 24 G N -0.300 108.490 108.800 -0.016 0.000 2.176 24 G HA2 -0.259 3.701 3.960 0.001 0.000 0.232 24 G HA3 -0.259 3.701 3.960 0.001 0.000 0.232 24 G C 0.279 175.180 174.900 0.002 0.000 0.986 24 G CA -0.273 44.824 45.100 -0.006 0.000 0.643 24 G HN 0.210 nan 8.290 nan 0.000 0.522 25 M N 0.459 120.057 119.600 -0.003 0.000 2.255 25 M HA 0.422 4.902 4.480 0.001 0.000 0.336 25 M C 0.189 176.504 176.300 0.026 0.000 1.135 25 M CA -0.170 55.141 55.300 0.018 0.000 1.145 25 M CB 0.788 33.392 32.600 0.008 0.000 1.473 25 M HN -0.183 nan 8.290 nan 0.000 0.462 26 K N 2.628 123.068 120.400 0.065 0.000 2.253 26 K HA 0.478 4.799 4.320 0.001 0.000 0.277 26 K C -1.047 175.651 176.600 0.164 0.000 1.053 26 K CA -0.328 56.020 56.287 0.102 0.000 0.892 26 K CB 0.785 33.352 32.500 0.111 0.000 1.102 26 K HN 0.429 nan 8.250 nan 0.000 0.469 27 V N 1.125 121.073 119.914 0.056 0.000 2.630 27 V HA 0.705 4.826 4.120 0.001 0.000 0.305 27 V C 0.641 176.538 176.094 -0.328 0.000 1.046 27 V CA -1.029 61.212 62.300 -0.099 0.000 0.934 27 V CB 1.992 33.709 31.823 -0.177 0.000 1.003 27 V HN 0.812 nan 8.190 nan 0.000 0.451 28 G N 1.923 110.274 108.800 -0.748 0.000 2.566 28 G HA2 0.648 4.608 3.960 0.001 0.000 0.311 28 G HA3 0.648 4.608 3.960 0.001 0.000 0.311 28 G C -1.518 173.112 174.900 -0.451 0.000 1.322 28 G CA -0.486 44.013 45.100 -1.002 0.000 0.969 28 G HN 0.554 nan 8.290 nan 0.000 0.490 29 V N 1.979 121.768 119.914 -0.208 0.000 2.531 29 V HA 0.491 4.612 4.120 0.001 0.000 0.301 29 V C -0.292 175.845 176.094 0.071 0.000 1.034 29 V CA -0.733 61.531 62.300 -0.060 0.000 0.865 29 V CB 1.796 33.618 31.823 -0.002 0.000 0.995 29 V HN 0.587 nan 8.190 nan 0.000 0.424 30 V N 3.752 123.696 119.914 0.051 0.000 2.398 30 V HA 0.670 4.790 4.120 0.001 0.000 0.286 30 V C -0.384 175.752 176.094 0.071 0.000 1.026 30 V CA -0.452 61.892 62.300 0.072 0.000 0.868 30 V CB 1.636 33.459 31.823 0.000 0.000 0.982 30 V HN 0.969 nan 8.190 nan 0.000 0.443 31 E N 3.747 123.995 120.200 0.081 0.000 2.263 31 E HA 0.394 4.745 4.350 0.001 0.000 0.268 31 E C 0.521 177.149 176.600 0.046 0.000 0.884 31 E CA -0.717 55.721 56.400 0.065 0.000 0.766 31 E CB 1.868 31.611 29.700 0.072 0.000 1.196 31 E HN 0.611 nan 8.360 nan 0.000 0.416 32 K N 2.815 123.237 120.400 0.036 0.000 2.228 32 K HA 0.140 4.460 4.320 0.001 0.000 0.202 32 K C 0.105 176.709 176.600 0.007 0.000 1.051 32 K CA 0.383 56.685 56.287 0.026 0.000 0.960 32 K CB 0.181 32.701 32.500 0.033 0.000 0.743 32 K HN 0.338 nan 8.250 nan 0.000 0.458 33 E N 1.562 121.760 120.200 -0.004 0.000 2.349 33 E HA 0.077 4.428 4.350 0.001 0.000 0.265 33 E C 0.575 177.165 176.600 -0.017 0.000 1.064 33 E CA -0.267 56.121 56.400 -0.020 0.000 0.886 33 E CB 1.175 30.854 29.700 -0.034 0.000 1.036 33 E HN 0.026 nan 8.360 nan 0.000 0.413 34 K N 0.406 120.791 120.400 -0.023 0.000 2.057 34 K HA -0.064 4.257 4.320 0.001 0.000 0.207 34 K C 0.811 177.390 176.600 -0.036 0.000 1.049 34 K CA 0.807 57.079 56.287 -0.024 0.000 0.931 34 K CB -0.164 32.320 32.500 -0.027 0.000 0.714 34 K HN 0.505 nan 8.250 nan 0.000 0.440 35 A N 1.211 124.002 122.820 -0.048 0.000 2.303 35 A HA 0.547 4.868 4.320 0.001 0.000 0.317 35 A C 0.070 177.606 177.584 -0.080 0.000 1.149 35 A CA -0.617 51.378 52.037 -0.070 0.000 0.822 35 A CB 0.571 19.527 19.000 -0.074 0.000 1.131 35 A HN 0.134 nan 8.150 nan 0.000 0.493 36 L N 0.686 121.831 121.223 -0.131 0.000 2.454 36 L HA 0.620 4.961 4.340 0.001 0.000 0.256 36 L C 1.477 178.251 176.870 -0.160 0.000 1.136 36 L CA 0.619 55.360 54.840 -0.165 0.000 0.804 36 L CB 0.781 42.633 42.059 -0.346 0.000 1.181 36 L HN 1.146 nan 8.230 nan 0.000 0.469 37 G N -0.590 108.152 108.800 -0.096 0.000 2.284 37 G HA2 0.042 4.002 3.960 0.001 0.000 0.201 37 G HA3 0.042 4.002 3.960 0.001 0.000 0.201 37 G C 0.581 175.546 174.900 0.109 0.000 0.998 37 G CA -0.128 44.968 45.100 -0.007 0.000 0.651 37 G HN 1.405 nan 8.290 nan 0.000 0.489 38 G N -0.739 108.095 108.800 0.056 0.000 2.601 38 G HA2 -0.054 3.907 3.960 0.001 0.000 0.252 38 G HA3 -0.054 3.907 3.960 0.001 0.000 0.252 38 G C 0.998 175.902 174.900 0.007 0.000 1.294 38 G CA 1.109 46.231 45.100 0.037 0.000 0.912 38 G HN 1.272 nan 8.290 nan 0.000 0.574 39 T N -0.502 114.050 114.554 -0.004 0.000 2.684 39 T HA -0.226 4.125 4.350 0.001 0.000 0.267 39 T C 2.473 177.172 174.700 -0.002 0.000 1.036 39 T CA 2.572 64.663 62.100 -0.016 0.000 1.148 39 T CB -0.695 68.162 68.868 -0.018 0.000 0.863 39 T HN 0.979 nan 8.240 nan 0.000 0.436 40 c N 0.904 119.514 118.600 0.017 0.000 2.393 40 c HA -0.079 4.492 4.570 0.001 0.000 0.276 40 c C 2.534 176.631 174.090 0.012 0.000 1.215 40 c CA 0.775 57.118 56.329 0.024 0.000 1.743 40 c CB -1.345 41.193 42.510 0.047 0.000 2.044 40 c HN 0.422 nan 8.230 nan 0.000 0.464 41 L N 0.514 121.750 121.223 0.022 0.000 2.131 41 L HA 0.072 4.412 4.340 0.001 0.000 0.206 41 L C 2.794 179.640 176.870 -0.040 0.000 1.087 41 L CA 1.647 56.479 54.840 -0.014 0.000 0.767 41 L CB -0.795 41.251 42.059 -0.022 0.000 0.917 41 L HN 0.299 nan 8.230 nan 0.000 0.441 42 R N -0.773 119.706 120.500 -0.035 0.000 2.062 42 R HA 0.052 4.393 4.340 0.001 0.000 0.226 42 R C 0.972 177.247 176.300 -0.043 0.000 1.125 42 R CA 1.588 57.661 56.100 -0.045 0.000 0.966 42 R CB 0.021 30.293 30.300 -0.046 0.000 0.861 42 R HN 0.347 nan 8.270 nan 0.000 0.433 43 V N -4.278 115.615 119.914 -0.035 0.000 3.293 43 V HA 0.500 4.621 4.120 0.001 0.000 0.381 43 V C 0.077 176.158 176.094 -0.023 0.000 1.465 43 V CA -0.042 62.239 62.300 -0.032 0.000 1.331 43 V CB 0.680 32.484 31.823 -0.032 0.000 1.160 43 V HN 0.277 nan 8.190 nan 0.000 0.565 44 G N -0.005 108.783 108.800 -0.019 0.000 3.054 44 G HA2 0.195 4.156 3.960 0.001 0.000 0.201 44 G HA3 0.195 4.156 3.960 0.001 0.000 0.201 44 G C 1.043 175.938 174.900 -0.008 0.000 1.694 44 G CA 0.732 45.828 45.100 -0.006 0.000 0.742 44 G HN 0.283 nan 8.290 nan 0.000 0.790 45 c N 1.090 119.692 118.600 0.003 0.000 2.376 45 c HA -0.092 4.479 4.570 0.001 0.000 0.275 45 c C 2.798 176.854 174.090 -0.056 0.000 1.200 45 c CA 0.577 56.900 56.329 -0.010 0.000 1.756 45 c CB -1.253 41.260 42.510 0.004 0.000 2.050 45 c HN 0.404 nan 8.230 nan 0.000 0.460 46 I N 2.261 122.798 120.570 -0.055 0.000 2.113 46 I HA -0.104 4.067 4.170 0.001 0.000 0.238 46 I C 0.157 176.221 176.117 -0.089 0.000 1.070 46 I CA 1.773 63.025 61.300 -0.080 0.000 1.332 46 I CB -2.834 35.121 38.000 -0.074 0.000 1.044 46 I HN 0.251 nan 8.210 nan 0.000 0.402 47 P HA -0.100 nan 4.420 nan 0.000 0.218 47 P C 1.865 179.121 177.300 -0.073 0.000 1.149 47 P CA 1.929 64.981 63.100 -0.080 0.000 0.817 47 P CB -0.100 31.562 31.700 -0.064 0.000 0.785 48 S N 0.288 115.952 115.700 -0.060 0.000 2.368 48 S HA -0.124 4.346 4.470 0.001 0.000 0.224 48 S C 2.023 176.584 174.600 -0.066 0.000 1.029 48 S CA 1.115 59.284 58.200 -0.053 0.000 0.988 48 S CB -0.909 62.279 63.200 -0.019 0.000 0.838 48 S HN -0.011 nan 8.310 nan 0.000 0.462 49 K N 2.088 122.434 120.400 -0.090 0.000 2.148 49 K HA 0.302 4.623 4.320 0.001 0.000 0.204 49 K C 2.325 178.874 176.600 -0.085 0.000 1.050 49 K CA 1.094 57.305 56.287 -0.126 0.000 0.942 49 K CB -0.920 31.439 32.500 -0.236 0.000 0.724 49 K HN 0.498 nan 8.250 nan 0.000 0.446 50 A N 0.598 123.374 122.820 -0.074 0.000 1.877 50 A HA -0.128 4.192 4.320 0.001 0.000 0.216 50 A C 2.089 179.674 177.584 0.002 0.000 1.186 50 A CA 1.322 53.346 52.037 -0.022 0.000 0.620 50 A CB -0.653 18.288 19.000 -0.098 0.000 0.822 50 A HN 0.198 nan 8.150 nan 0.000 0.443 51 L N -0.805 120.383 121.223 -0.058 0.000 2.093 51 L HA -0.154 4.186 4.340 0.001 0.000 0.208 51 L C 2.577 179.376 176.870 -0.118 0.000 1.085 51 L CA 0.920 55.695 54.840 -0.109 0.000 0.755 51 L CB -0.527 41.422 42.059 -0.182 0.000 0.904 51 L HN 0.370 nan 8.230 nan 0.000 0.435 52 L N -0.748 120.422 121.223 -0.088 0.000 2.027 52 L HA -0.178 4.163 4.340 0.001 0.000 0.206 52 L C 2.784 179.633 176.870 -0.034 0.000 1.074 52 L CA 1.076 55.879 54.840 -0.061 0.000 0.745 52 L CB -0.495 41.558 42.059 -0.009 0.000 0.898 52 L HN 0.236 nan 8.230 nan 0.000 0.433 53 E N -0.078 120.109 120.200 -0.023 0.000 2.051 53 E HA -0.201 4.150 4.350 0.001 0.000 0.192 53 E C 2.243 178.825 176.600 -0.031 0.000 0.991 53 E CA 2.127 58.520 56.400 -0.011 0.000 0.799 53 E CB -0.479 29.217 29.700 -0.006 0.000 0.748 53 E HN 0.602 nan 8.360 nan 0.000 0.449 54 T N -0.637 113.892 114.554 -0.041 0.000 2.812 54 T HA -0.126 4.225 4.350 0.001 0.000 0.264 54 T C 2.178 176.836 174.700 -0.070 0.000 1.042 54 T CA 2.061 64.120 62.100 -0.069 0.000 1.140 54 T CB -0.841 67.983 68.868 -0.073 0.000 0.870 54 T HN 0.230 nan 8.240 nan 0.000 0.445 55 T N 0.169 114.670 114.554 -0.088 0.000 2.867 55 T HA -0.066 4.285 4.350 0.001 0.000 0.268 55 T C 1.870 176.543 174.700 -0.045 0.000 1.057 55 T CA 1.404 63.446 62.100 -0.098 0.000 1.136 55 T CB -0.436 68.323 68.868 -0.182 0.000 0.874 55 T HN 0.461 nan 8.240 nan 0.000 0.466 56 E N 1.628 121.804 120.200 -0.039 0.000 2.077 56 E HA -0.135 4.216 4.350 0.001 0.000 0.193 56 E C 2.406 179.001 176.600 -0.008 0.000 0.989 56 E CA 1.086 57.478 56.400 -0.012 0.000 0.800 56 E CB -0.223 29.461 29.700 -0.026 0.000 0.746 56 E HN 0.300 nan 8.360 nan 0.000 0.452 57 R N 0.214 120.696 120.500 -0.029 0.000 2.092 57 R HA -0.010 4.331 4.340 0.001 0.000 0.231 57 R C 2.563 178.849 176.300 -0.022 0.000 1.119 57 R CA 1.289 57.367 56.100 -0.037 0.000 0.970 57 R CB -0.807 29.465 30.300 -0.047 0.000 0.864 57 R HN 0.382 nan 8.270 nan 0.000 0.440 58 I N -0.268 120.297 120.570 -0.008 0.000 2.252 58 I HA -0.298 3.873 4.170 0.001 0.000 0.245 58 I C 2.336 178.480 176.117 0.045 0.000 1.102 58 I CA 1.188 62.490 61.300 0.003 0.000 1.385 58 I CB -0.421 37.577 38.000 -0.003 0.000 1.064 58 I HN 0.024 nan 8.210 nan 0.000 0.414 59 Y N 2.139 122.391 120.300 -0.080 0.000 2.128 59 Y HA -0.263 4.288 4.550 0.002 0.000 0.284 59 Y C 2.564 178.423 175.900 -0.069 0.000 1.154 59 Y CA 1.611 59.666 58.100 -0.075 0.000 1.149 59 Y CB -0.201 38.214 38.460 -0.075 0.000 0.976 59 Y HN 0.129 nan 8.280 nan 0.000 0.505 60 E N 0.014 120.174 120.200 -0.066 0.000 2.110 60 E HA -0.182 4.169 4.350 0.001 0.000 0.193 60 E C 2.411 178.929 176.600 -0.136 0.000 0.988 60 E CA 1.092 57.400 56.400 -0.152 0.000 0.804 60 E CB -0.714 28.920 29.700 -0.110 0.000 0.745 60 E HN 0.544 nan 8.360 nan 0.000 0.458 61 A N 1.640 124.407 122.820 -0.088 0.000 1.902 61 A HA -0.202 4.119 4.320 0.001 0.000 0.217 61 A C 2.093 179.625 177.584 -0.087 0.000 1.181 61 A CA 1.577 53.571 52.037 -0.072 0.000 0.623 61 A CB -0.301 18.670 19.000 -0.048 0.000 0.818 61 A HN 0.123 nan 8.150 nan 0.000 0.443 62 K N -0.372 119.964 120.400 -0.107 0.000 2.057 62 K HA -0.097 4.224 4.320 0.001 0.000 0.206 62 K C 1.948 178.451 176.600 -0.162 0.000 1.050 62 K CA 1.265 57.484 56.287 -0.114 0.000 0.935 62 K CB -0.116 32.327 32.500 -0.096 0.000 0.715 62 K HN 0.195 nan 8.250 nan 0.000 0.439 63 K N 0.010 120.249 120.400 -0.269 0.000 2.097 63 K HA -0.023 4.297 4.320 0.001 0.000 0.206 63 K C 0.927 177.440 176.600 -0.144 0.000 1.049 63 K CA 0.998 57.131 56.287 -0.257 0.000 0.933 63 K CB -0.100 32.179 32.500 -0.369 0.000 0.717 63 K HN 0.373 nan 8.250 nan 0.000 0.442 64 G N 0.355 109.082 108.800 -0.122 0.000 2.653 64 G HA2 -0.005 3.956 3.960 0.001 0.000 0.656 64 G HA3 -0.005 3.956 3.960 0.001 0.000 0.656 64 G C -1.310 173.551 174.900 -0.064 0.000 1.419 64 G CA -0.981 44.073 45.100 -0.077 0.000 0.862 64 G HN 0.025 nan 8.290 nan 0.000 0.639 65 L N 1.901 123.096 121.223 -0.046 0.000 2.317 65 L HA 0.558 4.898 4.340 0.001 0.000 0.281 65 L C 0.968 177.825 176.870 -0.022 0.000 1.024 65 L CA -1.029 53.790 54.840 -0.034 0.000 0.810 65 L CB 1.618 43.659 42.059 -0.031 0.000 1.240 65 L HN 0.521 nan 8.230 nan 0.000 0.427 66 L N 3.092 124.307 121.223 -0.014 0.000 2.540 66 L HA 0.102 4.443 4.340 0.001 0.000 0.276 66 L C 1.302 178.169 176.870 -0.005 0.000 1.212 66 L CA 0.856 55.692 54.840 -0.006 0.000 0.893 66 L CB 0.240 42.300 42.059 0.003 0.000 1.138 66 L HN 1.017 nan 8.230 nan 0.000 0.491 67 G N 2.149 110.946 108.800 -0.005 0.000 2.159 67 G HA2 -0.140 3.820 3.960 0.001 0.000 0.256 67 G HA3 -0.140 3.820 3.960 0.001 0.000 0.256 67 G C 0.065 174.961 174.900 -0.007 0.000 0.977 67 G CA 0.127 45.225 45.100 -0.004 0.000 0.652 67 G HN 1.090 nan 8.290 nan 0.000 0.531 68 A N -1.001 121.813 122.820 -0.011 0.000 2.593 68 A HA 0.868 5.188 4.320 0.001 0.000 0.290 68 A C -0.677 176.897 177.584 -0.016 0.000 1.126 68 A CA -0.527 51.503 52.037 -0.013 0.000 0.695 68 A CB 1.238 20.229 19.000 -0.015 0.000 1.290 68 A HN 0.409 nan 8.150 nan 0.000 0.414 69 K N 0.926 121.316 120.400 -0.016 0.000 2.579 69 K HA 0.507 4.828 4.320 0.001 0.000 0.250 69 K C -1.493 175.095 176.600 -0.019 0.000 0.952 69 K CA -0.518 55.759 56.287 -0.017 0.000 0.857 69 K CB 2.107 34.598 32.500 -0.014 0.000 1.123 69 K HN 0.367 nan 8.250 nan 0.000 0.433 70 V N 4.310 124.210 119.914 -0.024 0.000 2.368 70 V HA 0.069 4.189 4.120 0.001 0.000 0.266 70 V C 1.527 177.608 176.094 -0.021 0.000 1.045 70 V CA -0.260 62.026 62.300 -0.024 0.000 0.899 70 V CB 0.923 32.727 31.823 -0.031 0.000 1.006 70 V HN 0.767 nan 8.190 nan 0.000 0.470 71 K N 3.641 124.031 120.400 -0.017 0.000 2.032 71 K HA -0.014 4.306 4.320 0.001 0.000 0.209 71 K C 0.824 177.415 176.600 -0.014 0.000 1.048 71 K CA 1.462 57.741 56.287 -0.014 0.000 0.927 71 K CB 0.062 32.556 32.500 -0.011 0.000 0.712 71 K HN 0.876 nan 8.250 nan 0.000 0.441 72 G N -1.220 107.571 108.800 -0.015 0.000 2.720 72 G HA2 0.485 4.446 3.960 0.001 0.000 0.295 72 G HA3 0.485 4.446 3.960 0.001 0.000 0.295 72 G C -1.948 172.944 174.900 -0.014 0.000 1.437 72 G CA -0.690 44.402 45.100 -0.013 0.000 0.886 72 G HN -0.029 nan 8.290 nan 0.000 0.509 73 V N 0.847 120.753 119.914 -0.013 0.000 2.482 73 V HA 0.500 4.620 4.120 0.001 0.000 0.295 73 V C -0.462 175.630 176.094 -0.004 0.000 1.026 73 V CA -0.663 61.630 62.300 -0.012 0.000 0.856 73 V CB 1.567 33.380 31.823 -0.017 0.000 1.001 73 V HN 0.855 nan 8.190 nan 0.000 0.424 74 E N 3.995 124.193 120.200 -0.002 0.000 2.145 74 E HA 0.520 4.871 4.350 0.001 0.000 0.270 74 E C -0.974 175.631 176.600 0.007 0.000 0.906 74 E CA -0.892 55.511 56.400 0.005 0.000 0.761 74 E CB 1.846 31.549 29.700 0.004 0.000 1.116 74 E HN 0.599 nan 8.360 nan 0.000 0.408 75 L N 4.312 125.544 121.223 0.016 0.000 2.416 75 L HA 0.202 4.543 4.340 0.001 0.000 0.272 75 L C -0.474 176.411 176.870 0.025 0.000 1.161 75 L CA 0.616 55.468 54.840 0.021 0.000 0.845 75 L CB 0.974 43.055 42.059 0.037 0.000 1.119 75 L HN 0.514 nan 8.230 nan 0.000 0.464 76 D N 4.196 124.608 120.400 0.021 0.000 2.456 76 D HA 0.065 4.705 4.640 0.001 0.000 0.287 76 D C 0.876 177.198 176.300 0.036 0.000 1.186 76 D CA -0.401 53.614 54.000 0.025 0.000 0.916 76 D CB 0.639 41.446 40.800 0.013 0.000 1.029 76 D HN 0.579 nan 8.370 nan 0.000 0.498 77 L N 4.429 125.687 121.223 0.059 0.000 2.043 77 L HA -0.015 4.325 4.340 0.001 0.000 0.212 77 L C -0.991 175.924 176.870 0.075 0.000 1.075 77 L CA 2.122 57.013 54.840 0.085 0.000 0.752 77 L CB -0.962 41.179 42.059 0.137 0.000 0.891 77 L HN 0.276 nan 8.230 nan 0.000 0.432 78 P HA -0.143 nan 4.420 nan 0.000 0.215 78 P C 1.526 178.852 177.300 0.044 0.000 1.153 78 P CA 1.957 65.088 63.100 0.052 0.000 0.853 78 P CB -0.147 31.578 31.700 0.041 0.000 0.788 79 A N -0.932 121.910 122.820 0.036 0.000 1.930 79 A HA -0.153 4.167 4.320 0.001 0.000 0.217 79 A C 2.128 179.739 177.584 0.045 0.000 1.175 79 A CA 1.240 53.297 52.037 0.032 0.000 0.627 79 A CB -1.611 17.399 19.000 0.017 0.000 0.815 79 A HN 0.140 nan 8.150 nan 0.000 0.443 80 L N -0.930 120.315 121.223 0.037 0.000 2.017 80 L HA -0.133 4.207 4.340 0.001 0.000 0.208 80 L C 2.358 179.264 176.870 0.059 0.000 1.073 80 L CA 1.900 56.762 54.840 0.037 0.000 0.745 80 L CB -0.363 41.699 42.059 0.003 0.000 0.894 80 L HN 0.285 nan 8.230 nan 0.000 0.432 81 M N -0.940 118.691 119.600 0.053 0.000 2.229 81 M HA -0.057 4.424 4.480 0.001 0.000 0.264 81 M C 2.377 178.695 176.300 0.030 0.000 1.063 81 M CA 1.465 56.792 55.300 0.044 0.000 1.114 81 M CB -1.503 31.136 32.600 0.064 0.000 1.387 81 M HN 0.438 nan 8.290 nan 0.000 0.420 82 A N -0.739 122.106 122.820 0.042 0.000 1.902 82 A HA -0.222 4.099 4.320 0.001 0.000 0.217 82 A C 2.011 179.614 177.584 0.032 0.000 1.181 82 A CA 2.164 54.219 52.037 0.030 0.000 0.623 82 A CB -1.031 17.991 19.000 0.036 0.000 0.818 82 A HN 0.572 nan 8.150 nan 0.000 0.443 83 H N 0.151 119.207 119.070 -0.024 0.000 2.321 83 H HA -0.109 4.447 4.556 0.002 0.000 0.300 83 H C 2.024 177.328 175.328 -0.039 0.000 1.087 83 H CA 2.218 58.246 56.048 -0.033 0.000 1.319 83 H CB -0.161 29.578 29.762 -0.038 0.000 1.379 83 H HN 0.453 nan 8.280 nan 0.000 0.501 84 K N -0.057 120.243 120.400 -0.167 0.000 2.032 84 K HA -0.185 4.135 4.320 0.001 0.000 0.209 84 K C 1.535 178.024 176.600 -0.184 0.000 1.048 84 K CA 2.035 58.198 56.287 -0.207 0.000 0.927 84 K CB -0.147 32.304 32.500 -0.082 0.000 0.712 84 K HN 0.351 nan 8.250 nan 0.000 0.441 85 D N 0.643 120.977 120.400 -0.111 0.000 2.144 85 D HA -0.119 4.522 4.640 0.001 0.000 0.199 85 D C 1.815 178.051 176.300 -0.106 0.000 0.984 85 D CA 1.176 55.124 54.000 -0.087 0.000 0.834 85 D CB 0.026 40.797 40.800 -0.047 0.000 0.955 85 D HN 0.316 nan 8.370 nan 0.000 0.465 86 K N 0.288 120.615 120.400 -0.122 0.000 2.097 86 K HA -0.039 4.281 4.320 0.001 0.000 0.205 86 K C 2.172 178.681 176.600 -0.152 0.000 1.050 86 K CA 0.459 56.679 56.287 -0.112 0.000 0.938 86 K CB 0.046 32.500 32.500 -0.078 0.000 0.718 86 K HN 0.003 nan 8.250 nan 0.000 0.442 87 V N 1.067 120.834 119.914 -0.244 0.000 2.307 87 V HA -0.211 3.909 4.120 0.001 0.000 0.245 87 V C 2.283 178.280 176.094 -0.161 0.000 1.045 87 V CA 1.413 63.573 62.300 -0.233 0.000 1.024 87 V CB -0.287 31.332 31.823 -0.340 0.000 0.651 87 V HN 0.065 nan 8.190 nan 0.000 0.449 88 V N -0.100 119.724 119.914 -0.150 0.000 2.287 88 V HA -0.363 3.757 4.120 0.001 0.000 0.248 88 V C 2.467 178.498 176.094 -0.106 0.000 1.053 88 V CA 2.517 64.748 62.300 -0.115 0.000 1.027 88 V CB -0.687 31.077 31.823 -0.098 0.000 0.646 88 V HN 0.652 nan 8.190 nan 0.000 0.447 89 Q N -0.144 119.596 119.800 -0.099 0.000 2.096 89 Q HA -0.233 4.108 4.340 0.001 0.000 0.204 89 Q C 2.234 178.177 176.000 -0.094 0.000 0.982 89 Q CA 2.097 57.848 55.803 -0.087 0.000 0.850 89 Q CB -0.273 28.422 28.738 -0.073 0.000 0.901 89 Q HN 0.634 nan 8.270 nan 0.000 0.422 90 A N 1.063 123.823 122.820 -0.100 0.000 1.902 90 A HA -0.198 4.123 4.320 0.001 0.000 0.217 90 A C 1.853 179.368 177.584 -0.116 0.000 1.181 90 A CA 1.516 53.491 52.037 -0.103 0.000 0.623 90 A CB -0.676 18.264 19.000 -0.100 0.000 0.818 90 A HN 0.499 nan 8.150 nan 0.000 0.443 91 N N -0.321 118.308 118.700 -0.120 0.000 2.106 91 N HA -0.149 4.592 4.740 0.001 0.000 0.188 91 N C 2.052 177.463 175.510 -0.165 0.000 1.029 91 N CA 2.246 55.217 53.050 -0.131 0.000 0.848 91 N CB -0.393 38.025 38.487 -0.114 0.000 1.007 91 N HN 0.708 nan 8.380 nan 0.000 0.423 92 T N -0.717 113.746 114.554 -0.152 0.000 2.788 92 T HA -0.124 4.226 4.350 0.001 0.000 0.268 92 T C 1.802 176.396 174.700 -0.178 0.000 1.044 92 T CA 1.038 63.031 62.100 -0.179 0.000 1.139 92 T CB -0.303 68.483 68.868 -0.136 0.000 0.867 92 T HN 0.230 nan 8.240 nan 0.000 0.454 93 Q N 0.739 120.461 119.800 -0.130 0.000 2.224 93 Q HA 0.101 4.442 4.340 0.001 0.000 0.203 93 Q C 2.697 178.648 176.000 -0.081 0.000 0.970 93 Q CA 1.079 56.827 55.803 -0.092 0.000 0.865 93 Q CB -0.486 28.210 28.738 -0.069 0.000 0.922 93 Q HN 0.740 nan 8.270 nan 0.000 0.445 94 G N 0.207 108.932 108.800 -0.126 0.000 2.402 94 G HA2 -0.198 3.763 3.960 0.001 0.000 0.216 94 G HA3 -0.198 3.763 3.960 0.001 0.000 0.216 94 G C 1.480 176.307 174.900 -0.122 0.000 1.162 94 G CA 0.690 45.720 45.100 -0.116 0.000 0.777 94 G HN 0.201 nan 8.290 nan 0.000 0.539 95 V N 0.728 120.467 119.914 -0.293 0.000 2.407 95 V HA -0.168 3.952 4.120 0.001 0.000 0.248 95 V C 2.558 178.375 176.094 -0.462 0.000 1.055 95 V CA 2.186 64.179 62.300 -0.512 0.000 1.049 95 V CB -0.334 30.986 31.823 -0.839 0.000 0.662 95 V HN 0.580 nan 8.190 nan 0.000 0.455 96 E N -0.215 119.802 120.200 -0.306 0.000 2.051 96 E HA -0.274 4.076 4.350 0.001 0.000 0.192 96 E C 2.117 178.708 176.600 -0.015 0.000 0.991 96 E CA 1.663 57.953 56.400 -0.183 0.000 0.799 96 E CB -0.224 29.416 29.700 -0.101 0.000 0.748 96 E HN 0.563 nan 8.360 nan 0.000 0.449 97 F N 1.206 121.093 119.950 -0.106 0.000 2.095 97 F HA -0.197 4.330 4.527 0.002 0.000 0.298 97 F C 2.003 177.801 175.800 -0.002 0.000 1.104 97 F CA 1.494 59.467 58.000 -0.046 0.000 1.232 97 F CB -0.126 38.840 39.000 -0.057 0.000 0.987 97 F HN 0.011 nan 8.300 nan 0.000 0.475 98 L N -1.046 120.312 121.223 0.225 0.000 2.131 98 L HA -0.241 4.099 4.340 0.001 0.000 0.210 98 L C 2.491 179.498 176.870 0.228 0.000 1.092 98 L CA 1.297 56.254 54.840 0.196 0.000 0.759 98 L CB -0.818 41.344 42.059 0.172 0.000 0.903 98 L HN 0.198 nan 8.230 nan 0.000 0.435 99 F N 0.378 120.302 119.950 -0.044 0.000 2.113 99 F HA -0.227 4.301 4.527 0.001 0.000 0.297 99 F C 2.627 178.375 175.800 -0.088 0.000 1.103 99 F CA 0.880 58.848 58.000 -0.053 0.000 1.248 99 F CB -0.039 38.929 39.000 -0.054 0.000 0.999 99 F HN -0.027 nan 8.300 nan 0.000 0.475 100 K N 0.444 120.885 120.400 0.068 0.000 2.057 100 K HA -0.236 4.085 4.320 0.001 0.000 0.207 100 K C 1.929 178.450 176.600 -0.133 0.000 1.049 100 K CA 1.425 57.671 56.287 -0.068 0.000 0.931 100 K CB -0.282 32.129 32.500 -0.147 0.000 0.714 100 K HN 0.132 nan 8.250 nan 0.000 0.440 101 K N 1.007 121.280 120.400 -0.211 0.000 2.147 101 K HA -0.109 4.211 4.320 0.001 0.000 0.205 101 K C 1.251 177.807 176.600 -0.073 0.000 1.049 101 K CA 1.234 57.404 56.287 -0.194 0.000 0.936 101 K CB 0.103 32.471 32.500 -0.219 0.000 0.722 101 K HN 0.099 nan 8.250 nan 0.000 0.446 102 N N -0.067 118.616 118.700 -0.028 0.000 2.270 102 N HA 0.023 4.764 4.740 0.001 0.000 0.198 102 N C 0.141 175.625 175.510 -0.043 0.000 1.117 102 N CA 0.845 53.884 53.050 -0.018 0.000 0.845 102 N CB 1.016 39.508 38.487 0.010 0.000 0.980 102 N HN 0.426 nan 8.380 nan 0.000 0.486 103 G N 1.670 110.440 108.800 -0.050 0.000 2.273 103 G HA2 -0.274 3.687 3.960 0.001 0.000 0.280 103 G HA3 -0.274 3.687 3.960 0.001 0.000 0.280 103 G C -0.040 174.817 174.900 -0.071 0.000 1.047 103 G CA -0.054 45.016 45.100 -0.049 0.000 0.869 103 G HN 0.333 nan 8.290 nan 0.000 0.502 104 I N 1.004 121.494 120.570 -0.134 0.000 2.315 104 I HA 0.542 4.713 4.170 0.001 0.000 0.291 104 I C 0.937 176.929 176.117 -0.208 0.000 1.006 104 I CA -0.400 60.737 61.300 -0.271 0.000 1.265 104 I CB 1.541 39.144 38.000 -0.662 0.000 1.387 104 I HN 0.313 nan 8.210 nan 0.000 0.475 105 A N 7.364 130.096 122.820 -0.147 0.000 2.354 105 A HA 0.552 4.873 4.320 0.001 0.000 0.269 105 A C -0.109 177.359 177.584 -0.194 0.000 1.109 105 A CA -0.370 51.599 52.037 -0.113 0.000 0.800 105 A CB 0.617 19.644 19.000 0.046 0.000 1.045 105 A HN 0.678 nan 8.150 nan 0.000 0.489 106 R N 1.686 122.073 120.500 -0.189 0.000 2.562 106 R HA 0.392 4.732 4.340 0.001 0.000 0.298 106 R C -1.466 174.656 176.300 -0.297 0.000 0.961 106 R CA -0.376 55.659 56.100 -0.109 0.000 0.881 106 R CB 0.815 31.161 30.300 0.076 0.000 1.159 106 R HN 0.933 nan 8.270 nan 0.000 0.450 107 H N 2.758 121.844 119.070 0.027 0.000 2.529 107 H HA 0.210 4.767 4.556 0.001 0.000 0.348 107 H C -0.784 174.558 175.328 0.023 0.000 1.079 107 H CA -0.568 55.495 56.048 0.025 0.000 1.198 107 H CB 2.478 32.248 29.762 0.014 0.000 1.521 107 H HN 0.446 nan 8.280 nan 0.000 0.514 108 Q N 2.092 121.963 119.800 0.119 0.000 2.325 108 Q HA 0.529 4.870 4.340 0.001 0.000 0.262 108 Q C -0.525 175.513 176.000 0.063 0.000 0.968 108 Q CA -0.656 55.190 55.803 0.072 0.000 0.877 108 Q CB 1.224 29.986 28.738 0.040 0.000 1.253 108 Q HN 1.014 nan 8.270 nan 0.000 0.448 109 G N 1.459 110.289 108.800 0.050 0.000 2.359 109 G HA2 0.010 3.971 3.960 0.001 0.000 0.293 109 G HA3 0.010 3.971 3.960 0.001 0.000 0.293 109 G C -1.300 173.618 174.900 0.030 0.000 1.300 109 G CA -0.882 44.239 45.100 0.036 0.000 0.888 109 G HN 0.404 nan 8.290 nan 0.000 0.541 110 T N 1.207 115.776 114.554 0.024 0.000 2.743 110 T HA 0.632 4.983 4.350 0.001 0.000 0.293 110 T C 0.676 175.373 174.700 -0.003 0.000 0.945 110 T CA 0.718 62.833 62.100 0.025 0.000 1.030 110 T CB 1.097 69.986 68.868 0.035 0.000 0.912 110 T HN 1.367 nan 8.240 nan 0.000 0.483 111 A N 4.261 127.067 122.820 -0.023 0.000 2.363 111 A HA 0.683 5.004 4.320 0.001 0.000 0.270 111 A C 0.340 177.862 177.584 -0.104 0.000 1.121 111 A CA -0.581 51.402 52.037 -0.090 0.000 0.800 111 A CB 0.407 19.325 19.000 -0.137 0.000 1.052 111 A HN 0.831 nan 8.150 nan 0.000 0.493 112 R N 2.388 122.811 120.500 -0.127 0.000 2.574 112 R HA 0.504 4.844 4.340 0.001 0.000 0.288 112 R C -1.780 174.467 176.300 -0.089 0.000 1.004 112 R CA -0.597 55.463 56.100 -0.067 0.000 0.895 112 R CB 0.915 31.213 30.300 -0.003 0.000 1.191 112 R HN 0.577 nan 8.270 nan 0.000 0.444 113 F N 4.399 124.355 119.950 0.010 0.000 2.484 113 F HA 0.133 4.661 4.527 0.001 0.000 0.360 113 F C 1.231 177.038 175.800 0.012 0.000 1.101 113 F CA 0.075 58.084 58.000 0.015 0.000 1.251 113 F CB 0.909 39.917 39.000 0.015 0.000 1.132 113 F HN 0.450 nan 8.300 nan 0.000 0.570 114 L N 1.473 122.815 121.223 0.198 0.000 2.537 114 L HA 0.178 4.518 4.340 0.001 0.000 0.224 114 L C 0.532 177.477 176.870 0.126 0.000 1.065 114 L CA 0.233 55.144 54.840 0.118 0.000 0.860 114 L CB 0.020 42.120 42.059 0.068 0.000 1.086 114 L HN 0.729 nan 8.230 nan 0.000 0.482 115 S N -1.910 113.898 115.700 0.181 0.000 2.724 115 S HA 0.101 4.572 4.470 0.001 0.000 0.278 115 S C 0.213 174.941 174.600 0.212 0.000 1.190 115 S CA -0.426 57.859 58.200 0.141 0.000 0.860 115 S CB 1.131 64.390 63.200 0.099 0.000 1.206 115 S HN 0.237 nan 8.310 nan 0.000 0.507 116 E N -0.001 120.289 120.200 0.150 0.000 2.478 116 E HA 0.109 4.460 4.350 0.001 0.000 0.198 116 E C 1.317 178.147 176.600 0.384 0.000 1.046 116 E CA 0.255 56.771 56.400 0.192 0.000 0.870 116 E CB -0.130 29.661 29.700 0.151 0.000 0.818 116 E HN 0.518 nan 8.360 nan 0.000 0.527 117 R N 0.053 120.712 120.500 0.266 0.000 2.531 117 R HA 0.228 4.569 4.340 0.001 0.000 0.316 117 R C -0.199 176.188 176.300 0.145 0.000 0.955 117 R CA -0.118 56.103 56.100 0.201 0.000 1.120 117 R CB 0.786 31.108 30.300 0.037 0.000 1.361 117 R HN -0.080 nan 8.270 nan 0.000 0.534 118 K N 1.282 121.774 120.400 0.153 0.000 2.345 118 K HA 0.408 4.729 4.320 0.001 0.000 0.255 118 K C -1.326 175.309 176.600 0.058 0.000 0.934 118 K CA -0.457 55.880 56.287 0.083 0.000 0.801 118 K CB 2.103 34.638 32.500 0.058 0.000 1.137 118 K HN -0.209 nan 8.250 nan 0.000 0.424 119 V N 4.779 124.673 119.914 -0.033 0.000 2.604 119 V HA 0.406 4.526 4.120 0.001 0.000 0.305 119 V C -0.860 175.175 176.094 -0.098 0.000 1.043 119 V CA -1.062 61.155 62.300 -0.137 0.000 0.888 119 V CB 1.592 33.249 31.823 -0.276 0.000 0.995 119 V HN 0.714 nan 8.190 nan 0.000 0.429 120 L N 5.615 126.787 121.223 -0.085 0.000 2.309 120 L HA 0.677 5.018 4.340 0.001 0.000 0.282 120 L C -0.405 176.425 176.870 -0.065 0.000 1.036 120 L CA 0.084 54.890 54.840 -0.057 0.000 0.806 120 L CB 1.818 43.863 42.059 -0.024 0.000 1.220 120 L HN 0.430 nan 8.230 nan 0.000 0.429 121 V N 6.207 126.089 119.914 -0.053 0.000 2.288 121 V HA 0.245 4.365 4.120 0.001 0.000 0.266 121 V C 1.030 177.119 176.094 -0.010 0.000 1.048 121 V CA -0.350 61.929 62.300 -0.034 0.000 0.842 121 V CB 0.158 31.965 31.823 -0.027 0.000 1.064 121 V HN 0.940 nan 8.190 nan 0.000 0.472 122 E N 2.491 122.687 120.200 -0.006 0.000 2.055 122 E HA -0.313 4.038 4.350 0.001 0.000 0.209 122 E C 1.714 178.320 176.600 0.009 0.000 1.036 122 E CA 2.037 58.438 56.400 0.003 0.000 0.849 122 E CB 0.110 29.814 29.700 0.007 0.000 0.767 122 E HN 0.762 nan 8.360 nan 0.000 0.461 123 E N -0.341 119.867 120.200 0.013 0.000 2.136 123 E HA -0.218 4.133 4.350 0.001 0.000 0.202 123 E C 2.239 178.850 176.600 0.018 0.000 1.019 123 E CA 2.292 58.702 56.400 0.016 0.000 0.819 123 E CB -0.402 29.310 29.700 0.019 0.000 0.739 123 E HN 0.511 nan 8.360 nan 0.000 0.458 124 T N -5.249 109.319 114.554 0.023 0.000 2.983 124 T HA 0.292 4.642 4.350 0.001 0.000 0.250 124 T C 1.721 176.434 174.700 0.020 0.000 1.037 124 T CA 0.670 62.787 62.100 0.028 0.000 1.142 124 T CB 0.373 69.270 68.868 0.048 0.000 0.876 124 T HN 0.321 nan 8.240 nan 0.000 0.455 125 G N 1.316 110.124 108.800 0.013 0.000 2.179 125 G HA2 -0.170 3.790 3.960 0.001 0.000 0.220 125 G HA3 -0.170 3.790 3.960 0.001 0.000 0.220 125 G C -0.280 174.621 174.900 0.002 0.000 0.990 125 G CA -0.144 44.960 45.100 0.007 0.000 0.646 125 G HN 0.659 nan 8.290 nan 0.000 0.517 126 E N 0.745 120.946 120.200 0.002 0.000 2.360 126 E HA 0.393 4.744 4.350 0.001 0.000 0.269 126 E C -0.173 176.404 176.600 -0.037 0.000 1.022 126 E CA 0.181 56.574 56.400 -0.011 0.000 0.887 126 E CB 0.792 30.487 29.700 -0.009 0.000 0.990 126 E HN 0.476 nan 8.360 nan 0.000 0.426 127 E N 3.123 123.304 120.200 -0.031 0.000 2.102 127 E HA 0.252 4.602 4.350 0.001 0.000 0.263 127 E C -0.770 175.808 176.600 -0.037 0.000 0.894 127 E CA -0.277 56.103 56.400 -0.033 0.000 0.746 127 E CB 0.906 30.598 29.700 -0.015 0.000 1.129 127 E HN 0.262 nan 8.360 nan 0.000 0.416 128 L N 2.439 123.631 121.223 -0.053 0.000 2.334 128 L HA 0.492 4.832 4.340 0.001 0.000 0.275 128 L C 0.270 177.151 176.870 0.018 0.000 1.036 128 L CA -0.639 54.190 54.840 -0.019 0.000 0.807 128 L CB 1.169 43.200 42.059 -0.047 0.000 1.231 128 L HN 0.405 nan 8.230 nan 0.000 0.438 129 E N 1.165 121.396 120.200 0.051 0.000 2.336 129 E HA 0.863 5.213 4.350 0.001 0.000 0.267 129 E C -1.170 175.492 176.600 0.105 0.000 0.906 129 E CA -0.953 55.480 56.400 0.054 0.000 0.781 129 E CB 2.722 32.430 29.700 0.013 0.000 1.261 129 E HN 0.671 nan 8.360 nan 0.000 0.436 130 A N 0.987 123.862 122.820 0.091 0.000 2.608 130 A HA 0.369 4.690 4.320 0.001 0.000 0.292 130 A C 0.067 177.672 177.584 0.035 0.000 1.066 130 A CA -0.622 51.483 52.037 0.115 0.000 0.676 130 A CB 1.613 20.721 19.000 0.180 0.000 1.277 130 A HN 0.699 nan 8.150 nan 0.000 0.413 131 R N -0.442 120.053 120.500 -0.008 0.000 2.066 131 R HA 0.026 4.367 4.340 0.001 0.000 0.232 131 R C -0.526 175.596 176.300 -0.296 0.000 1.131 131 R CA 1.599 57.570 56.100 -0.215 0.000 0.955 131 R CB -0.134 30.019 30.300 -0.245 0.000 0.851 131 R HN 0.691 nan 8.270 nan 0.000 0.432 132 Y N -0.505 119.888 120.300 0.155 0.000 2.485 132 Y HA 0.499 5.050 4.550 0.001 0.000 0.345 132 Y C -0.343 175.685 175.900 0.212 0.000 0.998 132 Y CA -1.068 57.173 58.100 0.234 0.000 1.059 132 Y CB 1.971 40.517 38.460 0.144 0.000 1.234 132 Y HN -0.111 nan 8.280 nan 0.000 0.461 133 I N 3.826 124.661 120.570 0.441 0.000 2.498 133 I HA 0.310 4.481 4.170 0.001 0.000 0.290 133 I C -1.486 174.809 176.117 0.296 0.000 1.032 133 I CA -0.939 60.547 61.300 0.310 0.000 1.073 133 I CB 2.092 40.302 38.000 0.350 0.000 1.251 133 I HN 0.321 nan 8.210 nan 0.000 0.426 134 L N 7.996 129.330 121.223 0.186 0.000 2.319 134 L HA 0.570 4.911 4.340 0.001 0.000 0.281 134 L C -0.787 176.169 176.870 0.142 0.000 1.005 134 L CA -0.114 54.822 54.840 0.160 0.000 0.828 134 L CB 1.171 43.267 42.059 0.062 0.000 1.227 134 L HN 0.384 nan 8.230 nan 0.000 0.415 135 I N 5.658 126.333 120.570 0.175 0.000 2.312 135 I HA 0.497 4.667 4.170 0.001 0.000 0.291 135 I C 0.378 176.564 176.117 0.115 0.000 1.031 135 I CA -0.134 61.261 61.300 0.158 0.000 1.293 135 I CB 1.358 39.478 38.000 0.200 0.000 1.403 135 I HN 0.816 nan 8.210 nan 0.000 0.484 136 A N 3.677 126.553 122.820 0.094 0.000 3.308 136 A HA 0.253 4.574 4.320 0.001 0.000 0.275 136 A C 0.918 178.553 177.584 0.085 0.000 0.950 136 A CA -0.379 51.703 52.037 0.075 0.000 0.987 136 A CB -0.332 18.700 19.000 0.053 0.000 1.146 136 A HN 0.741 nan 8.150 nan 0.000 0.488 137 T N -2.790 111.831 114.554 0.112 0.000 3.160 137 T HA 0.405 4.755 4.350 0.001 0.000 0.257 137 T C 1.416 176.214 174.700 0.163 0.000 1.147 137 T CA 1.084 63.277 62.100 0.155 0.000 1.064 137 T CB -0.339 68.650 68.868 0.202 0.000 0.949 137 T HN 2.035 nan 8.240 nan 0.000 0.526 138 G N 1.702 110.567 108.800 0.109 0.000 2.547 138 G HA2 -0.140 3.820 3.960 0.001 0.000 0.271 138 G HA3 -0.140 3.820 3.960 0.001 0.000 0.271 138 G C 0.021 174.988 174.900 0.112 0.000 1.209 138 G CA 0.294 45.442 45.100 0.081 0.000 0.959 138 G HN 1.563 nan 8.290 nan 0.000 0.563 139 S N -1.255 114.485 115.700 0.067 0.000 2.732 139 S HA 1.037 5.508 4.470 0.001 0.000 0.293 139 S C -0.194 174.419 174.600 0.022 0.000 1.159 139 S CA 0.516 58.766 58.200 0.082 0.000 0.847 139 S CB 1.769 64.998 63.200 0.048 0.000 1.169 139 S HN 2.686 nan 8.310 nan 0.000 0.501 140 A N 0.104 122.956 122.820 0.053 0.000 2.609 140 A HA 0.889 5.209 4.320 0.001 0.000 0.291 140 A C -3.364 174.241 177.584 0.035 0.000 1.096 140 A CA -1.828 50.217 52.037 0.013 0.000 0.684 140 A CB 0.710 19.750 19.000 0.066 0.000 1.282 140 A HN 0.578 nan 8.150 nan 0.000 0.412 141 P HA 0.307 nan 4.420 nan 0.000 0.268 141 P C -0.660 176.646 177.300 0.010 0.000 1.205 141 P CA -0.116 62.995 63.100 0.018 0.000 0.771 141 P CB 0.393 32.106 31.700 0.022 0.000 0.858 142 L N 5.161 126.378 121.223 -0.010 0.000 2.313 142 L HA 0.337 4.678 4.340 0.001 0.000 0.282 142 L C -0.695 176.115 176.870 -0.100 0.000 1.092 142 L CA 0.297 55.114 54.840 -0.037 0.000 0.831 142 L CB -0.475 41.567 42.059 -0.029 0.000 1.159 142 L HN 0.258 nan 8.230 nan 0.000 0.442 143 I N 7.412 127.904 120.570 -0.130 0.000 2.464 143 I HA 0.330 4.501 4.170 0.001 0.000 0.277 143 I C -2.029 173.894 176.117 -0.324 0.000 1.040 143 I CA -1.635 59.527 61.300 -0.230 0.000 1.153 143 I CB 1.108 39.012 38.000 -0.161 0.000 1.274 143 I HN 0.525 nan 8.210 nan 0.000 0.469 144 P HA 0.151 nan 4.420 nan 0.000 0.269 144 P C -1.995 174.925 177.300 -0.633 0.000 1.215 144 P CA -0.968 61.730 63.100 -0.669 0.000 0.780 144 P CB 0.187 31.159 31.700 -1.213 0.000 0.898 145 P HA -0.156 nan 4.420 nan 0.000 0.217 145 P C 1.044 178.276 177.300 -0.113 0.000 1.148 145 P CA 1.286 64.285 63.100 -0.168 0.000 0.828 145 P CB -0.358 31.316 31.700 -0.044 0.000 0.783 146 W N -0.964 120.323 121.300 -0.023 0.000 2.699 146 W HA 0.351 5.011 4.660 0.001 0.000 0.249 146 W C -0.077 176.425 176.519 -0.028 0.000 1.280 146 W CA 0.037 57.367 57.345 -0.025 0.000 1.345 146 W CB -0.829 28.614 29.460 -0.029 0.000 1.128 146 W HN -0.109 nan 8.180 nan 0.000 0.642 147 A N 2.533 125.172 122.820 -0.302 0.000 2.280 147 A HA 0.317 4.638 4.320 0.001 0.000 0.320 147 A C 0.132 177.622 177.584 -0.157 0.000 1.366 147 A CA -0.545 51.361 52.037 -0.218 0.000 0.938 147 A CB 0.089 18.739 19.000 -0.584 0.000 1.157 147 A HN 0.308 nan 8.150 nan 0.000 0.536 148 Q N 2.388 122.156 119.800 -0.053 0.000 2.844 148 Q HA 0.219 4.560 4.340 0.001 0.000 0.235 148 Q C -0.528 175.408 176.000 -0.107 0.000 1.336 148 Q CA -0.276 55.489 55.803 -0.063 0.000 1.026 148 Q CB 0.517 29.247 28.738 -0.014 0.000 1.513 148 Q HN 0.548 nan 8.270 nan 0.000 0.577 149 V N 3.166 122.963 119.914 -0.195 0.000 2.529 149 V HA -0.052 4.069 4.120 0.001 0.000 0.292 149 V C 0.884 176.781 176.094 -0.329 0.000 1.028 149 V CA 0.484 62.578 62.300 -0.342 0.000 1.074 149 V CB 0.713 32.186 31.823 -0.584 0.000 0.958 149 V HN 0.703 nan 8.190 nan 0.000 0.481 150 D N 3.147 123.406 120.400 -0.234 0.000 2.431 150 D HA 0.006 4.646 4.640 0.001 0.000 0.213 150 D C 0.377 176.735 176.300 0.096 0.000 1.130 150 D CA -0.463 53.520 54.000 -0.028 0.000 0.834 150 D CB -0.208 40.597 40.800 0.008 0.000 0.985 150 D HN 0.547 nan 8.370 nan 0.000 0.504 151 Y N -0.116 120.188 120.300 0.007 0.000 4.079 151 Y HA -0.290 4.260 4.550 0.001 0.000 0.223 151 Y C 1.277 177.193 175.900 0.026 0.000 1.155 151 Y CA 1.212 59.319 58.100 0.013 0.000 1.805 151 Y CB -2.111 36.350 38.460 0.002 0.000 1.571 151 Y HN 0.331 nan 8.280 nan 0.000 0.654 152 E N -0.994 119.261 120.200 0.093 0.000 3.823 152 E HA 0.178 4.529 4.350 0.001 0.000 0.225 152 E C 1.713 178.335 176.600 0.037 0.000 1.257 152 E CA 0.275 56.722 56.400 0.079 0.000 1.684 152 E CB 0.437 30.171 29.700 0.057 0.000 1.550 152 E HN 0.371 nan 8.360 nan 0.000 0.709 153 R N -0.027 120.469 120.500 -0.006 0.000 2.123 153 R HA 0.254 4.595 4.340 0.001 0.000 0.209 153 R C 0.111 176.384 176.300 -0.044 0.000 1.078 153 R CA 0.396 56.467 56.100 -0.048 0.000 1.028 153 R CB 0.964 31.234 30.300 -0.050 0.000 0.939 153 R HN -0.058 nan 8.270 nan 0.000 0.463 154 V N 3.235 123.121 119.914 -0.047 0.000 2.334 154 V HA 0.273 4.394 4.120 0.001 0.000 0.281 154 V C -0.081 175.947 176.094 -0.109 0.000 1.016 154 V CA -0.601 61.661 62.300 -0.062 0.000 0.832 154 V CB 1.264 33.042 31.823 -0.076 0.000 0.999 154 V HN 0.032 nan 8.190 nan 0.000 0.439 155 V N 2.391 122.275 119.914 -0.050 0.000 3.158 155 V HA 0.915 5.036 4.120 0.001 0.000 0.315 155 V C 0.141 176.192 176.094 -0.072 0.000 1.148 155 V CA -0.359 61.902 62.300 -0.064 0.000 1.042 155 V CB 2.123 33.995 31.823 0.082 0.000 1.101 155 V HN 0.774 nan 8.190 nan 0.000 0.448 156 T N -1.618 112.907 114.554 -0.050 0.000 2.922 156 T HA 0.411 4.761 4.350 0.001 0.000 0.281 156 T C 1.329 176.029 174.700 0.000 0.000 1.005 156 T CA 0.201 62.291 62.100 -0.016 0.000 0.982 156 T CB 1.064 69.953 68.868 0.036 0.000 1.158 156 T HN 1.542 nan 8.240 nan 0.000 0.566 157 S N -0.002 115.700 115.700 0.003 0.000 2.400 157 S HA -0.167 4.304 4.470 0.001 0.000 0.232 157 S C 1.952 176.535 174.600 -0.028 0.000 1.025 157 S CA 1.725 59.920 58.200 -0.009 0.000 0.993 157 S CB -1.702 61.501 63.200 0.005 0.000 0.808 157 S HN 0.802 nan 8.310 nan 0.000 0.478 158 T N 2.468 117.019 114.554 -0.004 0.000 2.684 158 T HA -0.104 4.247 4.350 0.001 0.000 0.267 158 T C 1.686 176.366 174.700 -0.033 0.000 1.036 158 T CA 1.985 64.080 62.100 -0.009 0.000 1.148 158 T CB -0.483 68.396 68.868 0.018 0.000 0.863 158 T HN 0.564 nan 8.240 nan 0.000 0.436 159 E N 1.114 121.301 120.200 -0.022 0.000 2.216 159 E HA 0.214 4.565 4.350 0.001 0.000 0.192 159 E C 2.205 178.603 176.600 -0.337 0.000 0.988 159 E CA 0.682 57.047 56.400 -0.058 0.000 0.834 159 E CB -0.378 29.360 29.700 0.063 0.000 0.772 159 E HN 0.475 nan 8.360 nan 0.000 0.479 160 A N 0.390 122.949 122.820 -0.435 0.000 2.121 160 A HA -0.050 4.270 4.320 0.001 0.000 0.218 160 A C 1.806 179.101 177.584 -0.482 0.000 1.154 160 A CA 0.690 52.156 52.037 -0.952 0.000 0.679 160 A CB -0.388 18.402 19.000 -0.350 0.000 0.795 160 A HN 0.214 nan 8.150 nan 0.000 0.458 161 L N -0.796 120.311 121.223 -0.194 0.000 2.558 161 L HA 0.077 4.417 4.340 0.001 0.000 0.225 161 L C 0.828 177.718 176.870 0.033 0.000 1.128 161 L CA 0.496 55.321 54.840 -0.024 0.000 0.868 161 L CB 0.282 42.319 42.059 -0.036 0.000 1.006 161 L HN 0.234 nan 8.230 nan 0.000 0.454 162 S N -1.170 114.505 115.700 -0.042 0.000 3.021 162 S HA 0.293 4.763 4.470 0.001 0.000 0.252 162 S C 0.176 174.854 174.600 0.129 0.000 0.996 162 S CA -0.631 57.608 58.200 0.066 0.000 1.084 162 S CB 0.060 63.279 63.200 0.032 0.000 1.021 162 S HN 0.069 nan 8.310 nan 0.000 0.566 163 F N 3.659 123.651 119.950 0.070 0.000 2.623 163 F HA 0.025 4.552 4.527 0.001 0.000 0.386 163 F C -0.521 175.264 175.800 -0.025 0.000 1.068 163 F CA -1.369 56.534 58.000 -0.163 0.000 1.265 163 F CB 0.506 39.074 39.000 -0.721 0.000 1.026 163 F HN 0.161 nan 8.300 nan 0.000 0.568 164 P HA -0.086 nan 4.420 nan 0.000 0.223 164 P C -0.479 176.876 177.300 0.091 0.000 1.151 164 P CA 1.385 64.548 63.100 0.106 0.000 0.787 164 P CB 0.393 32.129 31.700 0.059 0.000 0.788 165 E N -1.805 118.423 120.200 0.047 0.000 2.392 165 E HA 0.333 4.683 4.350 0.001 0.000 0.279 165 E C -1.236 175.352 176.600 -0.019 0.000 0.964 165 E CA -0.929 55.494 56.400 0.039 0.000 0.777 165 E CB 2.071 31.764 29.700 -0.011 0.000 1.249 165 E HN -0.359 nan 8.360 nan 0.000 0.449 166 V N 3.746 123.716 119.914 0.094 0.000 2.485 166 V HA 0.157 4.277 4.120 0.001 0.000 0.287 166 V C -1.800 174.237 176.094 -0.095 0.000 1.022 166 V CA -0.854 61.515 62.300 0.115 0.000 1.067 166 V CB -0.204 31.766 31.823 0.244 0.000 0.967 166 V HN 0.560 nan 8.190 nan 0.000 0.479 167 P HA 0.144 nan 4.420 nan 0.000 0.276 167 P C 0.436 177.658 177.300 -0.130 0.000 1.230 167 P CA -0.450 62.462 63.100 -0.312 0.000 0.776 167 P CB 1.186 32.545 31.700 -0.568 0.000 0.888 168 K N 3.396 123.736 120.400 -0.100 0.000 2.057 168 K HA -0.104 4.217 4.320 0.001 0.000 0.207 168 K C 0.396 176.979 176.600 -0.027 0.000 1.049 168 K CA 1.137 57.399 56.287 -0.042 0.000 0.931 168 K CB 0.181 32.657 32.500 -0.040 0.000 0.714 168 K HN 0.442 nan 8.250 nan 0.000 0.440 169 R N 0.628 121.091 120.500 -0.060 0.000 2.532 169 R HA 0.321 4.662 4.340 0.001 0.000 0.297 169 R C -1.687 174.569 176.300 -0.074 0.000 0.984 169 R CA -0.789 55.289 56.100 -0.037 0.000 0.884 169 R CB 1.818 32.101 30.300 -0.028 0.000 1.182 169 R HN 0.024 nan 8.270 nan 0.000 0.442 170 L N 4.445 125.649 121.223 -0.032 0.000 2.356 170 L HA 0.577 4.917 4.340 0.001 0.000 0.277 170 L C -1.195 175.683 176.870 0.013 0.000 0.996 170 L CA -0.366 54.451 54.840 -0.039 0.000 0.822 170 L CB 1.479 43.542 42.059 0.008 0.000 1.256 170 L HN 0.592 nan 8.230 nan 0.000 0.413 171 I N 5.564 126.139 120.570 0.008 0.000 2.377 171 I HA 0.428 4.598 4.170 0.001 0.000 0.293 171 I C -0.787 175.361 176.117 0.053 0.000 0.987 171 I CA -0.903 60.415 61.300 0.030 0.000 1.185 171 I CB 1.946 39.959 38.000 0.021 0.000 1.341 171 I HN 0.294 nan 8.210 nan 0.000 0.455 172 V N 7.353 127.304 119.914 0.062 0.000 2.357 172 V HA 0.269 4.390 4.120 0.001 0.000 0.284 172 V C 0.001 176.142 176.094 0.078 0.000 1.018 172 V CA -0.683 61.662 62.300 0.075 0.000 0.841 172 V CB 1.737 33.603 31.823 0.072 0.000 0.991 172 V HN 0.369 nan 8.190 nan 0.000 0.437 173 V N 4.437 124.408 119.914 0.095 0.000 2.348 173 V HA 0.829 4.950 4.120 0.001 0.000 0.270 173 V C 0.658 176.827 176.094 0.124 0.000 1.037 173 V CA 0.364 62.738 62.300 0.124 0.000 0.872 173 V CB 0.591 32.526 31.823 0.187 0.000 1.002 173 V HN 1.244 nan 8.190 nan 0.000 0.464 174 G N 3.520 112.390 108.800 0.116 0.000 3.438 174 G HA2 0.152 4.112 3.960 0.001 0.000 0.684 174 G HA3 0.152 4.112 3.960 0.001 0.000 0.684 174 G C 0.082 175.035 174.900 0.089 0.000 1.192 174 G CA -0.535 44.632 45.100 0.111 0.000 1.013 174 G HN 1.169 nan 8.290 nan 0.000 0.530 175 G N 0.807 109.661 108.800 0.091 0.000 3.882 175 G HA2 0.651 4.611 3.960 0.001 0.000 0.283 175 G HA3 0.651 4.611 3.960 0.001 0.000 0.283 175 G C 0.880 175.829 174.900 0.082 0.000 1.283 175 G CA 0.892 46.041 45.100 0.082 0.000 1.402 175 G HN 1.209 nan 8.290 nan 0.000 0.618 176 G N -0.661 108.183 108.800 0.073 0.000 2.531 176 G HA2 0.335 4.295 3.960 0.001 0.000 0.281 176 G HA3 0.335 4.295 3.960 0.001 0.000 0.281 176 G C 1.149 176.085 174.900 0.059 0.000 1.382 176 G CA -0.030 45.110 45.100 0.067 0.000 1.045 176 G HN 0.052 nan 8.290 nan 0.000 0.533 177 V N 0.105 120.051 119.914 0.053 0.000 2.295 177 V HA -0.157 3.964 4.120 0.001 0.000 0.246 177 V C 2.806 178.924 176.094 0.039 0.000 1.049 177 V CA 1.532 63.860 62.300 0.047 0.000 1.024 177 V CB -0.750 31.100 31.823 0.045 0.000 0.648 177 V HN 0.557 nan 8.190 nan 0.000 0.447 178 I N 0.813 121.408 120.570 0.041 0.000 2.179 178 I HA -0.177 3.994 4.170 0.001 0.000 0.242 178 I C 2.634 178.772 176.117 0.034 0.000 1.088 178 I CA 1.781 63.103 61.300 0.038 0.000 1.357 178 I CB -0.965 37.057 38.000 0.037 0.000 1.051 178 I HN 0.419 nan 8.210 nan 0.000 0.409 179 G N 1.054 109.878 108.800 0.039 0.000 2.446 179 G HA2 -0.200 3.761 3.960 0.001 0.000 0.217 179 G HA3 -0.200 3.761 3.960 0.001 0.000 0.217 179 G C 1.607 176.513 174.900 0.010 0.000 1.168 179 G CA 0.368 45.493 45.100 0.041 0.000 0.771 179 G HN 0.149 nan 8.290 nan 0.000 0.551 180 L N 0.548 121.760 121.223 -0.019 0.000 2.056 180 L HA 0.024 4.365 4.340 0.001 0.000 0.207 180 L C 2.758 179.528 176.870 -0.167 0.000 1.078 180 L CA 1.491 56.257 54.840 -0.124 0.000 0.749 180 L CB -1.171 40.819 42.059 -0.115 0.000 0.901 180 L HN 0.395 nan 8.230 nan 0.000 0.433 181 E N -0.229 119.923 120.200 -0.080 0.000 2.051 181 E HA -0.214 4.137 4.350 0.001 0.000 0.192 181 E C 2.303 178.870 176.600 -0.054 0.000 0.991 181 E CA 0.997 57.359 56.400 -0.063 0.000 0.799 181 E CB -0.064 29.639 29.700 0.005 0.000 0.748 181 E HN 0.418 nan 8.360 nan 0.000 0.449 182 L N 0.043 121.267 121.223 0.002 0.000 2.217 182 L HA -0.029 4.312 4.340 0.001 0.000 0.211 182 L C 2.516 179.480 176.870 0.155 0.000 1.107 182 L CA 0.833 55.715 54.840 0.071 0.000 0.783 182 L CB -0.530 41.605 42.059 0.126 0.000 0.919 182 L HN 0.224 nan 8.230 nan 0.000 0.442 183 G N -0.181 108.669 108.800 0.083 0.000 2.402 183 G HA2 -0.170 3.791 3.960 0.001 0.000 0.216 183 G HA3 -0.170 3.791 3.960 0.001 0.000 0.216 183 G C 1.608 176.532 174.900 0.040 0.000 1.162 183 G CA 0.697 45.855 45.100 0.096 0.000 0.777 183 G HN 0.153 nan 8.290 nan 0.000 0.539 184 V N 0.479 120.333 119.914 -0.100 0.000 2.343 184 V HA -0.165 3.956 4.120 0.001 0.000 0.247 184 V C 3.020 179.032 176.094 -0.136 0.000 1.051 184 V CA 1.369 63.578 62.300 -0.152 0.000 1.036 184 V CB -0.301 31.365 31.823 -0.262 0.000 0.654 184 V HN 0.237 nan 8.190 nan 0.000 0.451 185 V N -1.036 118.770 119.914 -0.179 0.000 2.252 185 V HA -0.319 3.802 4.120 0.001 0.000 0.249 185 V C 2.091 177.934 176.094 -0.419 0.000 1.056 185 V CA 2.578 64.664 62.300 -0.356 0.000 1.022 185 V CB -0.736 30.775 31.823 -0.519 0.000 0.641 185 V HN 0.680 nan 8.190 nan 0.000 0.445 186 W N -0.986 120.329 121.300 0.025 0.000 2.467 186 W HA -0.058 4.603 4.660 0.002 0.000 0.275 186 W C 2.542 179.080 176.519 0.032 0.000 1.239 186 W CA 1.091 58.474 57.345 0.063 0.000 1.266 186 W CB -0.500 29.050 29.460 0.150 0.000 1.112 186 W HN 0.391 nan 8.180 nan 0.000 0.576 187 H N 0.735 119.852 119.070 0.080 0.000 2.353 187 H HA -0.075 4.482 4.556 0.001 0.000 0.300 187 H C 2.088 177.357 175.328 -0.098 0.000 1.090 187 H CA 1.956 58.002 56.048 -0.003 0.000 1.327 187 H CB -0.060 29.656 29.762 -0.076 0.000 1.383 187 H HN -0.038 nan 8.280 nan 0.000 0.508 188 R N -0.265 120.034 120.500 -0.334 0.000 2.152 188 R HA -0.037 4.304 4.340 0.001 0.000 0.232 188 R C 1.615 177.827 176.300 -0.148 0.000 1.117 188 R CA 1.302 57.114 56.100 -0.479 0.000 0.981 188 R CB -0.034 30.002 30.300 -0.441 0.000 0.870 188 R HN 0.375 nan 8.270 nan 0.000 0.451 189 L N -0.767 120.406 121.223 -0.083 0.000 2.611 189 L HA 0.227 4.567 4.340 0.001 0.000 0.229 189 L C 1.033 177.942 176.870 0.064 0.000 1.137 189 L CA 0.328 55.178 54.840 0.018 0.000 0.901 189 L CB 0.509 42.601 42.059 0.056 0.000 1.098 189 L HN 0.468 nan 8.230 nan 0.000 0.456 190 G N -0.233 108.572 108.800 0.009 0.000 2.201 190 G HA2 -0.205 3.755 3.960 0.001 0.000 0.212 190 G HA3 -0.205 3.755 3.960 0.001 0.000 0.212 190 G C 0.393 175.325 174.900 0.054 0.000 0.994 190 G CA -0.158 44.955 45.100 0.021 0.000 0.644 190 G HN 0.420 nan 8.290 nan 0.000 0.508 191 A N 0.405 123.292 122.820 0.112 0.000 2.425 191 A HA 0.597 4.918 4.320 0.001 0.000 0.249 191 A C 0.381 178.062 177.584 0.161 0.000 1.084 191 A CA 0.127 52.244 52.037 0.133 0.000 0.781 191 A CB 0.293 19.410 19.000 0.196 0.000 1.019 191 A HN 0.397 nan 8.150 nan 0.000 0.490 192 E N 0.940 121.211 120.200 0.119 0.000 2.223 192 E HA 0.368 4.718 4.350 0.001 0.000 0.282 192 E C -1.050 175.624 176.600 0.122 0.000 1.046 192 E CA -0.123 56.356 56.400 0.132 0.000 0.857 192 E CB 1.042 30.786 29.700 0.074 0.000 1.055 192 E HN 0.374 nan 8.360 nan 0.000 0.409 193 V N 5.911 125.909 119.914 0.139 0.000 2.448 193 V HA 0.396 4.516 4.120 0.001 0.000 0.295 193 V C -0.051 176.060 176.094 0.029 0.000 1.025 193 V CA -0.602 61.748 62.300 0.083 0.000 0.859 193 V CB 1.395 33.272 31.823 0.090 0.000 0.988 193 V HN 0.555 nan 8.190 nan 0.000 0.431 194 I N 5.016 125.605 120.570 0.031 0.000 2.410 194 I HA 0.450 4.621 4.170 0.001 0.000 0.286 194 I C -0.668 175.466 176.117 0.029 0.000 1.009 194 I CA -0.759 60.555 61.300 0.023 0.000 1.111 194 I CB 2.065 40.079 38.000 0.023 0.000 1.262 194 I HN 0.268 nan 8.210 nan 0.000 0.443 195 V N 7.494 127.424 119.914 0.026 0.000 2.370 195 V HA 0.413 4.533 4.120 0.001 0.000 0.279 195 V C 0.002 176.123 176.094 0.045 0.000 1.029 195 V CA -0.494 61.829 62.300 0.038 0.000 0.870 195 V CB 1.615 33.459 31.823 0.035 0.000 0.984 195 V HN 0.470 nan 8.190 nan 0.000 0.451 196 L N 4.523 125.779 121.223 0.054 0.000 2.287 196 L HA 0.671 5.012 4.340 0.001 0.000 0.287 196 L C -0.318 176.599 176.870 0.077 0.000 1.022 196 L CA -0.392 54.481 54.840 0.056 0.000 0.814 196 L CB 1.634 43.722 42.059 0.048 0.000 1.217 196 L HN 0.617 nan 8.230 nan 0.000 0.420 197 E N 1.650 121.896 120.200 0.077 0.000 2.210 197 E HA 0.133 4.484 4.350 0.001 0.000 0.266 197 E C -0.129 176.541 176.600 0.117 0.000 0.883 197 E CA -0.552 55.908 56.400 0.100 0.000 0.761 197 E CB 1.220 30.966 29.700 0.077 0.000 1.156 197 E HN 0.377 nan 8.360 nan 0.000 0.412 198 Y N 5.167 125.480 120.300 0.021 0.000 2.163 198 Y HA 0.013 4.564 4.550 0.001 0.000 0.288 198 Y C 0.563 176.469 175.900 0.010 0.000 1.136 198 Y CA 1.386 59.491 58.100 0.008 0.000 1.147 198 Y CB 0.209 38.678 38.460 0.016 0.000 0.987 198 Y HN 0.470 nan 8.280 nan 0.000 0.509 199 M N 0.637 120.188 119.600 -0.083 0.000 2.103 199 M HA 0.003 4.483 4.480 0.001 0.000 0.291 199 M C 0.807 177.035 176.300 -0.121 0.000 1.216 199 M CA 0.180 55.374 55.300 -0.175 0.000 1.132 199 M CB -0.061 32.521 32.600 -0.030 0.000 1.396 199 M HN 0.139 nan 8.290 nan 0.000 0.479 200 D N 0.347 120.683 120.400 -0.107 0.000 2.349 200 D HA 0.050 4.690 4.640 0.001 0.000 0.224 200 D C 0.015 176.296 176.300 -0.032 0.000 1.029 200 D CA 0.440 54.398 54.000 -0.070 0.000 0.879 200 D CB 0.153 40.911 40.800 -0.069 0.000 0.906 200 D HN 0.412 nan 8.370 nan 0.000 0.528 201 R N -0.299 120.191 120.500 -0.016 0.000 2.739 201 R HA 0.558 4.899 4.340 0.001 0.000 0.271 201 R C -0.510 175.806 176.300 0.026 0.000 1.010 201 R CA -0.915 55.187 56.100 0.004 0.000 0.897 201 R CB 0.602 30.903 30.300 0.002 0.000 1.236 201 R HN -0.071 nan 8.270 nan 0.000 0.466 202 I N -1.389 119.205 120.570 0.040 0.000 3.204 202 I HA 0.540 4.711 4.170 0.001 0.000 0.313 202 I C -0.283 175.871 176.117 0.061 0.000 1.082 202 I CA -1.639 59.700 61.300 0.065 0.000 1.033 202 I CB 0.858 38.918 38.000 0.100 0.000 1.304 202 I HN 0.621 nan 8.210 nan 0.000 0.536 203 L N 0.974 122.242 121.223 0.075 0.000 3.790 203 L HA -0.137 4.204 4.340 0.001 0.000 0.602 203 L C -1.598 175.300 176.870 0.047 0.000 1.172 203 L CA -0.457 54.421 54.840 0.064 0.000 0.901 203 L CB -1.271 40.829 42.059 0.068 0.000 1.342 203 L HN 0.665 nan 8.230 nan 0.000 0.820 204 P HA -0.182 nan 4.420 nan 0.000 0.221 204 P C 1.277 178.598 177.300 0.034 0.000 1.145 204 P CA 1.937 65.061 63.100 0.040 0.000 0.795 204 P CB 0.029 31.758 31.700 0.049 0.000 0.775 205 T N -5.684 108.892 114.554 0.036 0.000 3.107 205 T HA 0.174 4.525 4.350 0.001 0.000 0.249 205 T C 1.057 175.784 174.700 0.045 0.000 1.096 205 T CA -0.165 61.957 62.100 0.036 0.000 1.012 205 T CB -0.290 68.598 68.868 0.033 0.000 0.977 205 T HN -0.156 nan 8.240 nan 0.000 0.527 206 M N 2.323 121.946 119.600 0.039 0.000 2.371 206 M HA 0.413 4.893 4.480 0.001 0.000 0.301 206 M C 0.050 176.350 176.300 -0.001 0.000 1.173 206 M CA -1.011 54.316 55.300 0.045 0.000 1.020 206 M CB 0.715 33.333 32.600 0.030 0.000 1.490 206 M HN 0.182 nan 8.290 nan 0.000 0.485 207 D N 0.385 120.749 120.400 -0.060 0.000 2.414 207 D HA 0.071 4.712 4.640 0.001 0.000 0.242 207 D C 0.986 177.246 176.300 -0.068 0.000 1.129 207 D CA -0.314 53.566 54.000 -0.200 0.000 0.885 207 D CB 0.864 41.366 40.800 -0.497 0.000 1.198 207 D HN 0.436 nan 8.370 nan 0.000 0.437 208 L N 3.402 124.594 121.223 -0.052 0.000 2.042 208 L HA -0.139 4.201 4.340 0.001 0.000 0.210 208 L C 1.927 178.803 176.870 0.010 0.000 1.076 208 L CA 1.934 56.765 54.840 -0.014 0.000 0.749 208 L CB -0.787 41.264 42.059 -0.012 0.000 0.893 208 L HN 0.758 nan 8.230 nan 0.000 0.432 209 E N -1.126 119.091 120.200 0.029 0.000 2.118 209 E HA -0.196 4.154 4.350 0.001 0.000 0.195 209 E C 2.049 178.747 176.600 0.163 0.000 0.992 209 E CA 1.627 58.077 56.400 0.083 0.000 0.804 209 E CB 0.015 29.770 29.700 0.091 0.000 0.741 209 E HN 0.431 nan 8.360 nan 0.000 0.458 210 V N 0.425 120.428 119.914 0.150 0.000 2.358 210 V HA -0.212 3.909 4.120 0.001 0.000 0.246 210 V C 2.362 178.447 176.094 -0.015 0.000 1.047 210 V CA 1.792 64.135 62.300 0.072 0.000 1.035 210 V CB -0.378 31.452 31.823 0.012 0.000 0.658 210 V HN 0.229 nan 8.190 nan 0.000 0.452 211 S N -0.304 115.392 115.700 -0.007 0.000 2.368 211 S HA -0.205 4.266 4.470 0.001 0.000 0.225 211 S C 2.111 176.689 174.600 -0.037 0.000 1.030 211 S CA 1.561 59.749 58.200 -0.020 0.000 0.999 211 S CB -0.305 62.897 63.200 0.002 0.000 0.844 211 S HN 0.533 nan 8.310 nan 0.000 0.459 212 R N 1.089 121.580 120.500 -0.014 0.000 2.075 212 R HA 0.033 4.374 4.340 0.001 0.000 0.232 212 R C 2.592 178.867 176.300 -0.042 0.000 1.126 212 R CA 1.200 57.288 56.100 -0.019 0.000 0.963 212 R CB -0.471 29.829 30.300 -0.001 0.000 0.858 212 R HN 0.402 nan 8.270 nan 0.000 0.435 213 A N 1.231 124.039 122.820 -0.020 0.000 1.902 213 A HA -0.100 4.221 4.320 0.001 0.000 0.217 213 A C 2.361 179.821 177.584 -0.206 0.000 1.181 213 A CA 1.632 53.645 52.037 -0.039 0.000 0.623 213 A CB -0.626 18.426 19.000 0.087 0.000 0.818 213 A HN 0.391 nan 8.150 nan 0.000 0.443 214 A N -0.249 122.391 122.820 -0.301 0.000 1.902 214 A HA -0.199 4.122 4.320 0.001 0.000 0.217 214 A C 2.033 179.182 177.584 -0.726 0.000 1.181 214 A CA 1.859 53.495 52.037 -0.669 0.000 0.623 214 A CB -0.596 18.087 19.000 -0.529 0.000 0.818 214 A HN 0.685 nan 8.150 nan 0.000 0.443 215 E N -0.261 119.766 120.200 -0.288 0.000 2.058 215 E HA -0.244 4.107 4.350 0.001 0.000 0.194 215 E C 2.263 178.805 176.600 -0.096 0.000 0.997 215 E CA 1.331 57.669 56.400 -0.103 0.000 0.801 215 E CB -0.128 29.557 29.700 -0.024 0.000 0.746 215 E HN 0.601 nan 8.360 nan 0.000 0.450 216 R N -0.073 120.359 120.500 -0.114 0.000 2.081 216 R HA -0.112 4.228 4.340 0.001 0.000 0.235 216 R C 2.506 178.759 176.300 -0.077 0.000 1.131 216 R CA 1.406 57.465 56.100 -0.068 0.000 0.960 216 R CB -0.281 29.988 30.300 -0.053 0.000 0.856 216 R HN 0.136 nan 8.270 nan 0.000 0.436 217 V N 0.684 120.488 119.914 -0.183 0.000 2.295 217 V HA -0.249 3.872 4.120 0.001 0.000 0.246 217 V C 2.051 178.155 176.094 0.017 0.000 1.049 217 V CA 1.872 64.084 62.300 -0.146 0.000 1.024 217 V CB -0.570 31.076 31.823 -0.296 0.000 0.648 217 V HN 0.265 nan 8.190 nan 0.000 0.447 218 F N 0.090 120.032 119.950 -0.014 0.000 2.171 218 F HA -0.167 4.361 4.527 0.001 0.000 0.300 218 F C 2.501 178.276 175.800 -0.043 0.000 1.090 218 F CA 1.175 59.157 58.000 -0.030 0.000 1.293 218 F CB -0.297 38.679 39.000 -0.041 0.000 1.013 218 F HN 0.083 nan 8.300 nan 0.000 0.486 219 K N 0.659 121.146 120.400 0.144 0.000 2.097 219 K HA -0.143 4.177 4.320 0.001 0.000 0.205 219 K C 1.885 178.525 176.600 0.067 0.000 1.050 219 K CA 1.057 57.388 56.287 0.073 0.000 0.938 219 K CB -0.151 32.377 32.500 0.047 0.000 0.718 219 K HN 0.198 nan 8.250 nan 0.000 0.442 220 K N 0.927 121.371 120.400 0.074 0.000 2.147 220 K HA -0.155 4.166 4.320 0.001 0.000 0.205 220 K C 2.037 178.711 176.600 0.122 0.000 1.049 220 K CA 1.180 57.514 56.287 0.080 0.000 0.936 220 K CB 0.010 32.548 32.500 0.064 0.000 0.722 220 K HN 0.281 nan 8.250 nan 0.000 0.446 221 Q N -0.813 119.082 119.800 0.159 0.000 2.297 221 Q HA -0.054 4.287 4.340 0.001 0.000 0.204 221 Q C 1.106 177.260 176.000 0.257 0.000 0.962 221 Q CA 1.050 56.998 55.803 0.242 0.000 0.879 221 Q CB 0.375 29.274 28.738 0.269 0.000 0.947 221 Q HN 0.581 nan 8.270 nan 0.000 0.462 222 G N -0.349 108.504 108.800 0.088 0.000 2.227 222 G HA2 -0.154 3.807 3.960 0.001 0.000 0.168 222 G HA3 -0.154 3.807 3.960 0.001 0.000 0.168 222 G C -0.359 174.423 174.900 -0.196 0.000 1.006 222 G CA -0.629 44.506 45.100 0.058 0.000 0.684 222 G HN 0.064 nan 8.290 nan 0.000 0.489 223 L N 2.105 123.129 121.223 -0.332 0.000 2.371 223 L HA 0.598 4.939 4.340 0.001 0.000 0.272 223 L C 0.817 177.640 176.870 -0.078 0.000 1.124 223 L CA 0.237 54.907 54.840 -0.283 0.000 0.816 223 L CB 1.357 43.262 42.059 -0.258 0.000 1.129 223 L HN 0.056 nan 8.230 nan 0.000 0.448 224 T N 4.384 118.913 114.554 -0.040 0.000 2.771 224 T HA 0.592 4.943 4.350 0.001 0.000 0.291 224 T C -0.070 174.637 174.700 0.012 0.000 0.954 224 T CA -0.040 62.060 62.100 0.001 0.000 1.045 224 T CB 0.108 68.983 68.868 0.011 0.000 0.917 224 T HN 0.260 nan 8.240 nan 0.000 0.484 225 I N 4.211 124.797 120.570 0.027 0.000 2.439 225 I HA 0.396 4.566 4.170 0.001 0.000 0.283 225 I C 0.083 176.220 176.117 0.032 0.000 1.023 225 I CA -0.725 60.600 61.300 0.041 0.000 1.100 225 I CB 1.514 39.556 38.000 0.070 0.000 1.238 225 I HN 0.328 nan 8.210 nan 0.000 0.445 226 R N 4.288 124.806 120.500 0.030 0.000 2.288 226 R HA 0.431 4.772 4.340 0.001 0.000 0.326 226 R C -0.111 176.202 176.300 0.022 0.000 0.959 226 R CA -0.541 55.572 56.100 0.021 0.000 0.834 226 R CB 1.809 32.119 30.300 0.017 0.000 1.157 226 R HN 0.628 nan 8.270 nan 0.000 0.470 227 T N -1.557 113.004 114.554 0.012 0.000 2.881 227 T HA 0.465 4.816 4.350 0.001 0.000 0.278 227 T C 1.112 175.799 174.700 -0.023 0.000 0.982 227 T CA -0.017 62.084 62.100 0.001 0.000 0.989 227 T CB 1.655 70.519 68.868 -0.007 0.000 1.058 227 T HN 0.729 nan 8.240 nan 0.000 0.529 228 G N -0.372 108.392 108.800 -0.060 0.000 2.198 228 G HA2 -0.150 3.810 3.960 0.001 0.000 0.260 228 G HA3 -0.150 3.810 3.960 0.001 0.000 0.260 228 G C -0.103 174.768 174.900 -0.048 0.000 1.025 228 G CA 0.055 45.093 45.100 -0.104 0.000 0.769 228 G HN 1.107 nan 8.290 nan 0.000 0.507 229 V N 0.381 120.301 119.914 0.011 0.000 2.378 229 V HA 0.515 4.636 4.120 0.001 0.000 0.288 229 V C 0.594 176.762 176.094 0.125 0.000 1.016 229 V CA -0.852 61.476 62.300 0.047 0.000 0.840 229 V CB 1.645 33.484 31.823 0.027 0.000 0.994 229 V HN 0.436 nan 8.190 nan 0.000 0.431 230 R N 4.151 124.733 120.500 0.136 0.000 2.207 230 R HA 0.572 4.913 4.340 0.001 0.000 0.334 230 R C -0.927 175.291 176.300 -0.137 0.000 1.013 230 R CA -0.385 55.767 56.100 0.088 0.000 0.858 230 R CB 1.319 31.684 30.300 0.109 0.000 1.094 230 R HN 0.547 nan 8.270 nan 0.000 0.457 231 V N 4.502 124.271 119.914 -0.241 0.000 2.555 231 V HA 0.041 4.161 4.120 0.001 0.000 0.286 231 V C 1.339 176.959 176.094 -0.791 0.000 1.044 231 V CA 0.333 62.408 62.300 -0.375 0.000 1.026 231 V CB 1.419 33.080 31.823 -0.270 0.000 0.981 231 V HN 1.026 nan 8.190 nan 0.000 0.480 232 T N 0.740 114.939 114.554 -0.591 0.000 2.990 232 T HA 0.614 4.964 4.350 0.001 0.000 0.250 232 T C 0.315 174.738 174.700 -0.462 0.000 1.041 232 T CA 0.457 62.169 62.100 -0.648 0.000 1.010 232 T CB 0.502 69.180 68.868 -0.317 0.000 1.003 232 T HN 1.121 nan 8.240 nan 0.000 0.499 233 A N 0.253 122.944 122.820 -0.214 0.000 2.594 233 A HA 0.640 4.961 4.320 0.001 0.000 0.296 233 A C -1.789 175.900 177.584 0.175 0.000 1.056 233 A CA -0.733 51.384 52.037 0.133 0.000 0.693 233 A CB 1.402 20.447 19.000 0.074 0.000 1.278 233 A HN 0.333 nan 8.150 nan 0.000 0.408 234 V N 1.399 121.467 119.914 0.257 0.000 2.569 234 V HA 0.640 4.760 4.120 0.001 0.000 0.301 234 V C -0.814 175.333 176.094 0.090 0.000 1.044 234 V CA -0.529 61.865 62.300 0.156 0.000 0.874 234 V CB 1.618 33.552 31.823 0.185 0.000 1.002 234 V HN 0.929 nan 8.190 nan 0.000 0.424 235 V N 6.261 126.204 119.914 0.048 0.000 2.577 235 V HA 0.469 4.590 4.120 0.001 0.000 0.303 235 V C -2.625 173.473 176.094 0.005 0.000 1.042 235 V CA -2.132 60.183 62.300 0.025 0.000 0.872 235 V CB 2.528 34.367 31.823 0.026 0.000 0.998 235 V HN 0.676 nan 8.190 nan 0.000 0.423 236 P HA 0.360 nan 4.420 nan 0.000 0.271 236 P C -0.852 176.442 177.300 -0.010 0.000 1.216 236 P CA 0.077 63.169 63.100 -0.014 0.000 0.771 236 P CB 0.615 32.305 31.700 -0.016 0.000 0.864 237 E N 3.198 123.389 120.200 -0.016 0.000 2.307 237 E HA 0.545 4.895 4.350 0.001 0.000 0.280 237 E C -0.105 176.484 176.600 -0.019 0.000 0.900 237 E CA -0.263 56.129 56.400 -0.013 0.000 0.790 237 E CB 0.867 30.560 29.700 -0.011 0.000 1.261 237 E HN 0.488 nan 8.360 nan 0.000 0.405 238 A N 4.718 127.528 122.820 -0.016 0.000 5.391 238 A HA -0.403 3.918 4.320 0.001 0.000 0.315 238 A C 1.248 178.816 177.584 -0.027 0.000 1.874 238 A CA 2.184 54.209 52.037 -0.019 0.000 0.714 238 A CB -1.474 17.515 19.000 -0.019 0.000 1.335 238 A HN 0.882 nan 8.150 nan 0.000 0.382 239 K N 0.252 120.631 120.400 -0.034 0.000 2.439 239 K HA 0.333 4.654 4.320 0.001 0.000 0.197 239 K C 1.134 177.694 176.600 -0.066 0.000 1.041 239 K CA 1.612 57.870 56.287 -0.048 0.000 0.970 239 K CB -0.190 32.280 32.500 -0.050 0.000 0.773 239 K HN 1.346 nan 8.250 nan 0.000 0.479 240 G N 0.311 109.075 108.800 -0.059 0.000 3.366 240 G HA2 0.658 4.619 3.960 0.001 0.000 0.179 240 G HA3 0.658 4.619 3.960 0.001 0.000 0.179 240 G C -1.358 173.511 174.900 -0.052 0.000 1.143 240 G CA -0.273 44.784 45.100 -0.072 0.000 0.810 240 G HN 0.379 nan 8.290 nan 0.000 0.697 241 A N -1.044 121.750 122.820 -0.045 0.000 2.586 241 A HA 0.782 5.103 4.320 0.001 0.000 0.290 241 A C -1.125 176.449 177.584 -0.017 0.000 1.086 241 A CA -0.413 51.608 52.037 -0.027 0.000 0.665 241 A CB 1.216 20.201 19.000 -0.025 0.000 1.279 241 A HN 1.264 nan 8.150 nan 0.000 0.423 242 R N -0.123 120.374 120.500 -0.004 0.000 2.670 242 R HA 0.825 5.166 4.340 0.001 0.000 0.289 242 R C -1.759 174.550 176.300 0.014 0.000 0.965 242 R CA -0.710 55.390 56.100 0.001 0.000 0.899 242 R CB 1.916 32.216 30.300 0.000 0.000 1.173 242 R HN 0.420 nan 8.270 nan 0.000 0.456 243 V N 1.968 121.888 119.914 0.011 0.000 2.444 243 V HA 0.332 4.452 4.120 0.001 0.000 0.294 243 V C -0.421 175.670 176.094 -0.005 0.000 1.022 243 V CA -0.700 61.610 62.300 0.017 0.000 0.850 243 V CB 1.460 33.295 31.823 0.021 0.000 0.992 243 V HN 0.880 nan 8.190 nan 0.000 0.426 244 E N 4.375 124.563 120.200 -0.020 0.000 2.204 244 E HA 0.685 5.035 4.350 0.001 0.000 0.276 244 E C -1.367 175.183 176.600 -0.082 0.000 0.974 244 E CA -0.583 55.792 56.400 -0.043 0.000 0.815 244 E CB 1.443 31.119 29.700 -0.041 0.000 1.119 244 E HN 0.597 nan 8.360 nan 0.000 0.393 245 L N 2.583 123.765 121.223 -0.069 0.000 2.322 245 L HA 0.399 4.740 4.340 0.001 0.000 0.269 245 L C 0.324 177.146 176.870 -0.079 0.000 1.012 245 L CA -0.982 53.810 54.840 -0.080 0.000 0.815 245 L CB 1.491 43.523 42.059 -0.045 0.000 1.295 245 L HN 0.650 nan 8.230 nan 0.000 0.438 246 E N 0.543 120.693 120.200 -0.084 0.000 2.465 246 E HA 0.185 4.536 4.350 0.001 0.000 0.260 246 E C 0.824 177.400 176.600 -0.039 0.000 0.980 246 E CA 1.105 57.466 56.400 -0.066 0.000 0.927 246 E CB 0.370 30.043 29.700 -0.044 0.000 0.934 246 E HN 0.776 nan 8.360 nan 0.000 0.459 247 G N 2.720 111.499 108.800 -0.035 0.000 2.339 247 G HA2 -0.231 3.730 3.960 0.001 0.000 0.209 247 G HA3 -0.231 3.730 3.960 0.001 0.000 0.209 247 G C 0.813 175.699 174.900 -0.023 0.000 1.015 247 G CA 0.119 45.205 45.100 -0.024 0.000 0.635 247 G HN 1.472 nan 8.290 nan 0.000 0.499 248 G N -0.100 108.683 108.800 -0.029 0.000 2.380 248 G HA2 -0.077 3.884 3.960 0.001 0.000 0.197 248 G HA3 -0.077 3.884 3.960 0.001 0.000 0.197 248 G C 0.098 174.985 174.900 -0.022 0.000 1.001 248 G CA 1.060 46.145 45.100 -0.024 0.000 0.668 248 G HN 1.335 nan 8.290 nan 0.000 0.483 249 E N 0.836 121.023 120.200 -0.021 0.000 2.452 249 E HA 0.371 4.722 4.350 0.001 0.000 0.261 249 E C -0.365 176.224 176.600 -0.019 0.000 0.987 249 E CA 0.170 56.560 56.400 -0.017 0.000 0.926 249 E CB 0.647 30.338 29.700 -0.015 0.000 0.934 249 E HN 0.200 nan 8.360 nan 0.000 0.452 250 V N 6.253 126.159 119.914 -0.013 0.000 2.588 250 V HA 0.370 4.491 4.120 0.001 0.000 0.304 250 V C -0.164 175.926 176.094 -0.008 0.000 1.042 250 V CA -0.733 61.560 62.300 -0.012 0.000 0.877 250 V CB 1.468 33.285 31.823 -0.010 0.000 0.996 250 V HN 0.604 nan 8.190 nan 0.000 0.425 251 L N 3.758 124.977 121.223 -0.006 0.000 2.342 251 L HA 0.686 5.027 4.340 0.001 0.000 0.271 251 L C -0.180 176.687 176.870 -0.005 0.000 1.008 251 L CA -0.596 54.242 54.840 -0.004 0.000 0.818 251 L CB 2.296 44.355 42.059 -0.001 0.000 1.296 251 L HN 0.596 nan 8.230 nan 0.000 0.427 252 E N 1.130 121.325 120.200 -0.009 0.000 2.227 252 E HA 0.811 5.162 4.350 0.001 0.000 0.268 252 E C -1.111 175.476 176.600 -0.021 0.000 0.907 252 E CA -0.712 55.679 56.400 -0.015 0.000 0.786 252 E CB 2.706 32.397 29.700 -0.015 0.000 1.191 252 E HN 0.660 nan 8.360 nan 0.000 0.411 253 A N 1.998 124.798 122.820 -0.033 0.000 2.612 253 A HA 0.329 4.650 4.320 0.001 0.000 0.293 253 A C -0.731 176.804 177.584 -0.082 0.000 1.075 253 A CA -0.634 51.372 52.037 -0.052 0.000 0.680 253 A CB 1.144 20.116 19.000 -0.046 0.000 1.279 253 A HN 0.639 nan 8.150 nan 0.000 0.411 254 D N 0.181 120.510 120.400 -0.117 0.000 2.183 254 D HA 0.053 4.694 4.640 0.001 0.000 0.203 254 D C 0.434 176.598 176.300 -0.227 0.000 0.969 254 D CA 1.153 55.054 54.000 -0.163 0.000 0.842 254 D CB 0.202 40.886 40.800 -0.193 0.000 0.957 254 D HN 0.270 nan 8.370 nan 0.000 0.484 255 R N 0.013 120.360 120.500 -0.256 0.000 2.698 255 R HA 0.555 4.896 4.340 0.001 0.000 0.275 255 R C -1.564 174.656 176.300 -0.134 0.000 1.001 255 R CA -0.743 55.183 56.100 -0.290 0.000 0.896 255 R CB 2.272 32.154 30.300 -0.696 0.000 1.218 255 R HN -0.176 nan 8.270 nan 0.000 0.462 256 V N 3.270 123.153 119.914 -0.052 0.000 2.525 256 V HA 0.340 4.460 4.120 0.001 0.000 0.299 256 V C -0.744 175.380 176.094 0.051 0.000 1.034 256 V CA -0.925 61.380 62.300 0.008 0.000 0.863 256 V CB 2.003 33.833 31.823 0.011 0.000 0.999 256 V HN 0.533 nan 8.190 nan 0.000 0.423 257 L N 6.970 128.243 121.223 0.084 0.000 2.264 257 L HA 0.635 4.975 4.340 0.001 0.000 0.289 257 L C -0.344 176.561 176.870 0.059 0.000 1.044 257 L CA 0.162 55.055 54.840 0.087 0.000 0.807 257 L CB 1.541 43.672 42.059 0.120 0.000 1.192 257 L HN 0.432 nan 8.230 nan 0.000 0.425 258 V N 6.021 125.949 119.914 0.022 0.000 2.334 258 V HA 0.641 4.761 4.120 0.001 0.000 0.267 258 V C 0.624 176.724 176.094 0.010 0.000 1.040 258 V CA 0.116 62.423 62.300 0.013 0.000 0.866 258 V CB 0.615 32.399 31.823 -0.065 0.000 1.019 258 V HN 0.952 nan 8.190 nan 0.000 0.468 259 A N 4.444 127.290 122.820 0.043 0.000 3.297 259 A HA 0.517 4.837 4.320 0.001 0.000 0.304 259 A C 0.481 178.099 177.584 0.057 0.000 0.963 259 A CA -0.105 51.956 52.037 0.041 0.000 0.935 259 A CB 0.763 19.792 19.000 0.049 0.000 1.093 259 A HN 1.021 nan 8.150 nan 0.000 0.480 260 V N -2.150 117.794 119.914 0.050 0.000 3.514 260 V HA 0.634 4.754 4.120 0.001 0.000 0.301 260 V C 0.677 176.802 176.094 0.052 0.000 1.346 260 V CA 0.402 62.747 62.300 0.075 0.000 1.156 260 V CB -0.931 30.958 31.823 0.109 0.000 1.029 260 V HN 1.659 nan 8.190 nan 0.000 0.428 261 G N 0.152 108.973 108.800 0.035 0.000 2.361 261 G HA2 0.258 4.218 3.960 0.001 0.000 0.331 261 G HA3 0.258 4.218 3.960 0.001 0.000 0.331 261 G C -1.168 173.744 174.900 0.019 0.000 1.324 261 G CA -0.991 44.127 45.100 0.030 0.000 0.984 261 G HN 0.387 nan 8.290 nan 0.000 0.586 262 R N -0.338 120.176 120.500 0.022 0.000 2.725 262 R HA 0.681 5.022 4.340 0.001 0.000 0.277 262 R C 0.056 176.374 176.300 0.029 0.000 0.987 262 R CA -0.999 55.115 56.100 0.024 0.000 0.901 262 R CB 2.412 32.726 30.300 0.024 0.000 1.207 262 R HN 0.849 nan 8.270 nan 0.000 0.463 263 R N 1.145 121.670 120.500 0.041 0.000 2.803 263 R HA 0.581 4.922 4.340 0.001 0.000 0.276 263 R C -2.871 173.473 176.300 0.074 0.000 0.978 263 R CA -2.314 53.814 56.100 0.047 0.000 0.939 263 R CB 1.495 31.821 30.300 0.042 0.000 1.179 263 R HN 0.194 nan 8.270 nan 0.000 0.472 264 P HA -0.077 nan 4.420 nan 0.000 0.266 264 P C -1.589 175.786 177.300 0.125 0.000 1.195 264 P CA 0.142 63.290 63.100 0.080 0.000 0.768 264 P CB 0.145 31.870 31.700 0.042 0.000 0.838 265 Y N 2.385 122.694 120.300 0.015 0.000 2.328 265 Y HA 0.423 4.974 4.550 0.001 0.000 0.337 265 Y C 0.594 176.511 175.900 0.027 0.000 0.966 265 Y CA -0.025 58.086 58.100 0.018 0.000 1.136 265 Y CB 1.142 39.612 38.460 0.017 0.000 1.170 265 Y HN 0.409 nan 8.280 nan 0.000 0.470 266 T N 0.239 114.536 114.554 -0.428 0.000 3.262 266 T HA 0.257 4.608 4.350 0.001 0.000 0.300 266 T C -0.310 174.149 174.700 -0.401 0.000 0.959 266 T CA -0.469 61.461 62.100 -0.283 0.000 0.936 266 T CB -0.346 68.460 68.868 -0.103 0.000 1.169 266 T HN 0.634 nan 8.240 nan 0.000 0.532 267 E N 1.405 121.115 120.200 -0.817 0.000 2.465 267 E HA 0.391 4.742 4.350 0.001 0.000 0.260 267 E C 1.295 177.752 176.600 -0.237 0.000 0.980 267 E CA 0.823 56.927 56.400 -0.494 0.000 0.927 267 E CB 0.166 29.550 29.700 -0.527 0.000 0.934 267 E HN 0.567 nan 8.360 nan 0.000 0.459 268 G N 2.675 111.414 108.800 -0.101 0.000 2.184 268 G HA2 -0.310 3.651 3.960 0.001 0.000 0.264 268 G HA3 -0.310 3.651 3.960 0.001 0.000 0.264 268 G C 0.648 175.551 174.900 0.005 0.000 0.975 268 G CA 0.380 45.466 45.100 -0.024 0.000 0.642 268 G HN 0.503 nan 8.290 nan 0.000 0.536 269 L N 1.293 122.520 121.223 0.007 0.000 2.313 269 L HA 0.420 4.761 4.340 0.001 0.000 0.214 269 L C 1.675 178.654 176.870 0.182 0.000 1.119 269 L CA 1.951 56.846 54.840 0.091 0.000 0.809 269 L CB -0.221 41.910 42.059 0.119 0.000 0.933 269 L HN 0.733 nan 8.230 nan 0.000 0.449 270 S N -0.673 115.088 115.700 0.102 0.000 3.628 270 S HA -0.215 4.255 4.470 0.001 0.000 0.373 270 S C 1.288 175.965 174.600 0.128 0.000 0.968 270 S CA 0.642 58.904 58.200 0.102 0.000 1.215 270 S CB -1.904 61.361 63.200 0.109 0.000 0.912 270 S HN 0.464 nan 8.310 nan 0.000 0.495 271 L N 0.920 122.181 121.223 0.064 0.000 2.127 271 L HA -0.212 4.129 4.340 0.001 0.000 0.211 271 L C 2.812 179.597 176.870 -0.141 0.000 1.089 271 L CA 1.959 56.751 54.840 -0.080 0.000 0.757 271 L CB -0.421 41.591 42.059 -0.078 0.000 0.899 271 L HN 0.664 nan 8.230 nan 0.000 0.434 272 E N 0.069 120.230 120.200 -0.064 0.000 2.209 272 E HA -0.257 4.094 4.350 0.001 0.000 0.196 272 E C 1.277 177.841 176.600 -0.060 0.000 0.993 272 E CA 1.436 57.799 56.400 -0.062 0.000 0.819 272 E CB -0.596 29.086 29.700 -0.031 0.000 0.745 272 E HN 0.520 nan 8.360 nan 0.000 0.477 273 N N 1.182 119.864 118.700 -0.031 0.000 2.459 273 N HA -0.010 4.730 4.740 0.001 0.000 0.181 273 N C 1.198 176.680 175.510 -0.046 0.000 1.046 273 N CA 1.274 54.325 53.050 0.002 0.000 0.904 273 N CB 0.103 38.640 38.487 0.083 0.000 0.964 273 N HN 0.394 nan 8.380 nan 0.000 0.444 274 A N -0.633 122.066 122.820 -0.201 0.000 2.390 274 A HA 0.512 4.833 4.320 0.001 0.000 0.232 274 A C 1.282 178.729 177.584 -0.228 0.000 1.233 274 A CA 0.364 52.219 52.037 -0.304 0.000 0.907 274 A CB -0.055 18.424 19.000 -0.867 0.000 0.967 274 A HN 0.186 nan 8.150 nan 0.000 0.512 275 G N -0.581 108.121 108.800 -0.162 0.000 2.160 275 G HA2 -0.195 3.766 3.960 0.001 0.000 0.244 275 G HA3 -0.195 3.766 3.960 0.001 0.000 0.244 275 G C -0.083 174.732 174.900 -0.141 0.000 1.022 275 G CA 0.515 45.544 45.100 -0.119 0.000 0.741 275 G HN 0.465 nan 8.290 nan 0.000 0.508 276 L N 0.184 121.298 121.223 -0.182 0.000 2.319 276 L HA 0.873 5.214 4.340 0.001 0.000 0.267 276 L C 0.594 177.394 176.870 -0.117 0.000 1.011 276 L CA -0.385 54.355 54.840 -0.167 0.000 0.818 276 L CB 2.251 44.167 42.059 -0.239 0.000 1.316 276 L HN 0.494 nan 8.230 nan 0.000 0.432 277 S N -1.168 114.479 115.700 -0.088 0.000 2.625 277 S HA 0.697 5.168 4.470 0.001 0.000 0.271 277 S C -0.683 173.886 174.600 -0.051 0.000 1.161 277 S CA -0.739 57.423 58.200 -0.063 0.000 0.820 277 S CB 1.874 65.043 63.200 -0.051 0.000 1.137 277 S HN 0.651 nan 8.310 nan 0.000 0.470 278 T N -0.764 113.765 114.554 -0.041 0.000 2.943 278 T HA 0.679 5.029 4.350 0.001 0.000 0.284 278 T C -0.349 174.335 174.700 -0.028 0.000 1.015 278 T CA -0.589 61.492 62.100 -0.032 0.000 1.042 278 T CB 0.770 69.620 68.868 -0.030 0.000 1.055 278 T HN 0.793 nan 8.240 nan 0.000 0.500 279 D N 0.672 121.058 120.400 -0.023 0.000 2.440 279 D HA 0.190 4.830 4.640 0.001 0.000 0.269 279 D C 0.993 177.284 176.300 -0.016 0.000 1.249 279 D CA -0.645 53.343 54.000 -0.020 0.000 1.055 279 D CB 0.145 40.933 40.800 -0.019 0.000 1.104 279 D HN 0.529 nan 8.370 nan 0.000 0.561 280 E N -1.151 119.042 120.200 -0.012 0.000 2.209 280 E HA -0.129 4.222 4.350 0.001 0.000 0.196 280 E C 1.626 178.223 176.600 -0.006 0.000 0.993 280 E CA 1.206 57.601 56.400 -0.008 0.000 0.819 280 E CB -0.154 29.543 29.700 -0.005 0.000 0.745 280 E HN 0.347 nan 8.360 nan 0.000 0.477 281 R N -0.991 119.506 120.500 -0.006 0.000 2.359 281 R HA 0.224 4.565 4.340 0.001 0.000 0.231 281 R C 0.833 177.131 176.300 -0.002 0.000 0.913 281 R CA 0.494 56.593 56.100 -0.002 0.000 1.075 281 R CB 0.660 30.959 30.300 -0.001 0.000 1.087 281 R HN 0.251 nan 8.270 nan 0.000 0.515 282 G N 1.752 110.547 108.800 -0.008 0.000 2.176 282 G HA2 -0.322 3.639 3.960 0.001 0.000 0.253 282 G HA3 -0.322 3.639 3.960 0.001 0.000 0.253 282 G C 0.059 174.955 174.900 -0.007 0.000 0.979 282 G CA -0.144 44.950 45.100 -0.010 0.000 0.641 282 G HN 0.268 nan 8.290 nan 0.000 0.530 283 R N -0.364 120.132 120.500 -0.007 0.000 2.531 283 R HA 0.617 4.957 4.340 0.001 0.000 0.273 283 R C 0.493 176.786 176.300 -0.012 0.000 1.070 283 R CA -0.457 55.640 56.100 -0.005 0.000 1.112 283 R CB 0.872 31.166 30.300 -0.010 0.000 1.049 283 R HN 0.268 nan 8.270 nan 0.000 0.508 284 I N 3.721 124.287 120.570 -0.007 0.000 2.312 284 I HA 0.202 4.373 4.170 0.001 0.000 0.291 284 I C -2.013 174.091 176.117 -0.022 0.000 1.031 284 I CA -2.330 58.961 61.300 -0.016 0.000 1.293 284 I CB 1.348 39.347 38.000 -0.002 0.000 1.403 284 I HN 0.226 nan 8.210 nan 0.000 0.484 285 P HA 0.086 nan 4.420 nan 0.000 0.268 285 P C -0.833 176.440 177.300 -0.045 0.000 1.204 285 P CA -0.047 63.030 63.100 -0.039 0.000 0.768 285 P CB 0.704 32.379 31.700 -0.041 0.000 0.842 286 V N -0.313 119.574 119.914 -0.044 0.000 3.078 286 V HA 0.672 4.792 4.120 0.001 0.000 0.311 286 V C -0.401 175.658 176.094 -0.058 0.000 1.138 286 V CA -1.134 61.135 62.300 -0.052 0.000 1.007 286 V CB 2.157 33.963 31.823 -0.028 0.000 1.045 286 V HN 0.468 nan 8.190 nan 0.000 0.432 287 D N 1.364 121.720 120.400 -0.074 0.000 2.507 287 D HA 0.215 4.856 4.640 0.001 0.000 0.280 287 D C 1.119 177.353 176.300 -0.110 0.000 1.219 287 D CA 0.148 54.098 54.000 -0.083 0.000 1.085 287 D CB 0.253 41.008 40.800 -0.076 0.000 1.134 287 D HN 0.694 nan 8.370 nan 0.000 0.583 288 E N -0.637 119.448 120.200 -0.191 0.000 2.333 288 E HA -0.240 4.111 4.350 0.001 0.000 0.198 288 E C 0.551 176.942 176.600 -0.348 0.000 1.007 288 E CA 1.224 57.463 56.400 -0.268 0.000 0.845 288 E CB -0.767 28.722 29.700 -0.351 0.000 0.766 288 E HN 0.650 nan 8.360 nan 0.000 0.507 289 H N 0.168 119.182 119.070 -0.094 0.000 2.592 289 H HA 0.402 4.959 4.556 0.001 0.000 0.279 289 H C 0.278 175.544 175.328 -0.103 0.000 1.089 289 H CA -0.142 55.780 56.048 -0.211 0.000 1.150 289 H CB 0.397 29.767 29.762 -0.654 0.000 1.575 289 H HN -0.064 nan 8.280 nan 0.000 0.547 290 L N 0.281 121.520 121.223 0.027 0.000 4.291 290 L HA -0.281 4.059 4.340 0.001 0.000 0.413 290 L C -0.186 176.670 176.870 -0.023 0.000 1.162 290 L CA 0.514 55.400 54.840 0.076 0.000 0.961 290 L CB -1.247 40.931 42.059 0.197 0.000 2.095 290 L HN 0.369 nan 8.230 nan 0.000 0.838 291 R N 0.379 120.738 120.500 -0.235 0.000 2.404 291 R HA 0.507 4.847 4.340 0.001 0.000 0.291 291 R C 0.941 177.100 176.300 -0.236 0.000 1.025 291 R CA 0.261 56.071 56.100 -0.484 0.000 0.991 291 R CB 1.210 31.204 30.300 -0.510 0.000 1.053 291 R HN 0.218 nan 8.270 nan 0.000 0.479 292 T N -1.333 113.090 114.554 -0.217 0.000 2.793 292 T HA 0.083 4.433 4.350 0.001 0.000 0.299 292 T C 1.312 175.928 174.700 -0.140 0.000 1.038 292 T CA -0.649 61.367 62.100 -0.140 0.000 0.948 292 T CB 0.616 69.407 68.868 -0.129 0.000 1.231 292 T HN 0.758 nan 8.240 nan 0.000 0.538 293 R N -0.427 120.005 120.500 -0.114 0.000 2.241 293 R HA 0.077 4.418 4.340 0.001 0.000 0.224 293 R C 0.115 176.353 176.300 -0.103 0.000 1.101 293 R CA 0.535 56.579 56.100 -0.093 0.000 0.995 293 R CB -0.678 29.575 30.300 -0.077 0.000 0.870 293 R HN 0.366 nan 8.270 nan 0.000 0.463 294 V N 4.190 124.012 119.914 -0.152 0.000 2.320 294 V HA 0.125 4.246 4.120 0.001 0.000 0.265 294 V C -1.299 174.660 176.094 -0.225 0.000 1.048 294 V CA -1.842 60.346 62.300 -0.185 0.000 0.865 294 V CB 1.334 32.993 31.823 -0.273 0.000 1.043 294 V HN 0.114 nan 8.190 nan 0.000 0.474 295 P HA -0.275 nan 4.420 nan 0.000 0.222 295 P C 1.104 178.407 177.300 0.006 0.000 1.155 295 P CA 2.254 65.324 63.100 -0.050 0.000 0.890 295 P CB 0.019 31.757 31.700 0.064 0.000 0.790 296 H N -2.528 116.606 119.070 0.107 0.000 2.539 296 H HA 0.375 4.932 4.556 0.001 0.000 0.267 296 H C 0.835 176.396 175.328 0.390 0.000 0.982 296 H CA -0.358 55.864 56.048 0.289 0.000 1.146 296 H CB -0.854 28.958 29.762 0.084 0.000 1.382 296 H HN 0.115 nan 8.280 nan 0.000 0.577 297 I N 1.810 122.305 120.570 -0.124 0.000 2.362 297 I HA 0.227 4.397 4.170 0.001 0.000 0.289 297 I C -1.003 175.154 176.117 0.067 0.000 0.994 297 I CA -0.983 60.348 61.300 0.052 0.000 1.158 297 I CB 0.872 38.791 38.000 -0.135 0.000 1.315 297 I HN 0.083 nan 8.210 nan 0.000 0.451 298 Y N 4.240 124.590 120.300 0.083 0.000 2.534 298 Y HA 0.793 5.343 4.550 0.001 0.000 0.329 298 Y C 0.285 176.219 175.900 0.058 0.000 1.154 298 Y CA -1.052 57.085 58.100 0.061 0.000 1.192 298 Y CB 1.858 40.356 38.460 0.064 0.000 1.275 298 Y HN 0.542 nan 8.280 nan 0.000 0.491 299 A N 2.244 125.181 122.820 0.196 0.000 2.455 299 A HA 0.859 5.180 4.320 0.001 0.000 0.300 299 A C -1.170 176.479 177.584 0.109 0.000 1.040 299 A CA -0.548 51.566 52.037 0.127 0.000 0.697 299 A CB 0.897 19.942 19.000 0.074 0.000 1.265 299 A HN 0.761 nan 8.150 nan 0.000 0.407 300 I N -1.200 119.423 120.570 0.087 0.000 3.279 300 I HA 0.950 5.121 4.170 0.001 0.000 0.315 300 I C 0.518 176.661 176.117 0.044 0.000 1.187 300 I CA -0.328 61.011 61.300 0.065 0.000 0.953 300 I CB 1.819 39.851 38.000 0.052 0.000 1.279 300 I HN 2.010 nan 8.210 nan 0.000 0.465 301 G N 2.096 110.913 108.800 0.029 0.000 2.562 301 G HA2 -0.248 3.713 3.960 0.001 0.000 0.250 301 G HA3 -0.248 3.713 3.960 0.001 0.000 0.250 301 G C 0.007 174.917 174.900 0.016 0.000 1.269 301 G CA 0.659 45.765 45.100 0.011 0.000 0.919 301 G HN 0.870 nan 8.290 nan 0.000 0.574 302 D N -0.602 119.807 120.400 0.014 0.000 2.311 302 D HA 0.009 4.650 4.640 0.001 0.000 0.212 302 D C 2.320 178.641 176.300 0.034 0.000 0.972 302 D CA 1.183 55.196 54.000 0.020 0.000 0.887 302 D CB -0.019 40.796 40.800 0.024 0.000 0.915 302 D HN 0.445 nan 8.370 nan 0.000 0.497 303 V N 0.226 120.167 119.914 0.045 0.000 3.461 303 V HA -0.011 4.110 4.120 0.001 0.000 0.267 303 V C 0.748 176.861 176.094 0.031 0.000 1.186 303 V CA 0.429 62.760 62.300 0.051 0.000 1.154 303 V CB 0.049 31.914 31.823 0.071 0.000 0.802 303 V HN 0.035 nan 8.190 nan 0.000 0.474 304 V N -0.781 119.146 119.914 0.021 0.000 3.166 304 V HA 0.646 4.766 4.120 0.001 0.000 0.317 304 V C 0.344 176.429 176.094 -0.015 0.000 1.136 304 V CA -1.306 60.997 62.300 0.005 0.000 1.035 304 V CB 1.408 33.238 31.823 0.011 0.000 1.110 304 V HN 0.425 nan 8.190 nan 0.000 0.450 305 R N 1.439 121.917 120.500 -0.037 0.000 2.811 305 R HA 0.557 4.898 4.340 0.001 0.000 0.265 305 R C 0.268 176.510 176.300 -0.095 0.000 1.026 305 R CA 0.975 57.036 56.100 -0.065 0.000 1.142 305 R CB -0.761 29.487 30.300 -0.087 0.000 1.027 305 R HN 2.616 nan 8.270 nan 0.000 0.465 306 G N 1.237 109.974 108.800 -0.105 0.000 2.541 306 G HA2 -0.091 3.870 3.960 0.001 0.000 0.686 306 G HA3 -0.091 3.870 3.960 0.001 0.000 0.686 306 G C -2.826 172.036 174.900 -0.063 0.000 1.286 306 G CA -0.754 44.270 45.100 -0.126 0.000 0.894 306 G HN 0.595 nan 8.290 nan 0.000 0.575 307 P HA 0.308 nan 4.420 nan 0.000 0.264 307 P C 0.355 177.631 177.300 -0.040 0.000 1.193 307 P CA 0.278 63.357 63.100 -0.036 0.000 0.763 307 P CB 0.318 31.997 31.700 -0.034 0.000 0.810 308 M N 4.201 123.785 119.600 -0.028 0.000 2.725 308 M HA 0.227 4.708 4.480 0.001 0.000 0.322 308 M C -0.473 175.803 176.300 -0.040 0.000 1.393 308 M CA 0.384 55.669 55.300 -0.025 0.000 1.452 308 M CB -0.506 32.092 32.600 -0.003 0.000 1.242 308 M HN 0.209 nan 8.290 nan 0.000 0.487 309 L N 0.175 121.341 121.223 -0.095 0.000 2.388 309 L HA 0.606 4.946 4.340 0.001 0.000 0.264 309 L C 1.018 177.791 176.870 -0.163 0.000 0.998 309 L CA -0.563 54.184 54.840 -0.155 0.000 0.817 309 L CB 1.909 43.743 42.059 -0.376 0.000 1.338 309 L HN 0.596 nan 8.230 nan 0.000 0.414 310 A N 0.716 123.506 122.820 -0.051 0.000 1.877 310 A HA -0.193 4.127 4.320 0.001 0.000 0.216 310 A C 1.956 179.528 177.584 -0.020 0.000 1.186 310 A CA 1.864 53.901 52.037 0.000 0.000 0.620 310 A CB -0.824 18.228 19.000 0.086 0.000 0.822 310 A HN 0.942 nan 8.150 nan 0.000 0.443 311 H N -0.999 118.051 119.070 -0.034 0.000 2.491 311 H HA 0.002 4.558 4.556 0.001 0.000 0.290 311 H C 1.678 176.968 175.328 -0.064 0.000 1.050 311 H CA 1.345 57.359 56.048 -0.058 0.000 1.309 311 H CB -0.352 29.378 29.762 -0.053 0.000 1.392 311 H HN 0.439 nan 8.280 nan 0.000 0.554 312 K N 1.869 122.065 120.400 -0.340 0.000 2.062 312 K HA 0.005 4.326 4.320 0.001 0.000 0.205 312 K C 2.275 178.819 176.600 -0.094 0.000 1.051 312 K CA 1.192 57.365 56.287 -0.191 0.000 0.941 312 K CB -0.320 32.075 32.500 -0.174 0.000 0.719 312 K HN 0.288 nan 8.250 nan 0.000 0.440 313 A N 0.851 123.614 122.820 -0.096 0.000 1.877 313 A HA -0.115 4.206 4.320 0.001 0.000 0.216 313 A C 2.353 179.886 177.584 -0.085 0.000 1.186 313 A CA 2.155 54.151 52.037 -0.067 0.000 0.620 313 A CB -0.698 18.260 19.000 -0.070 0.000 0.822 313 A HN 0.411 nan 8.150 nan 0.000 0.443 314 S N -0.307 115.329 115.700 -0.108 0.000 2.368 314 S HA -0.129 4.342 4.470 0.001 0.000 0.225 314 S C 1.913 176.458 174.600 -0.092 0.000 1.030 314 S CA 1.284 59.409 58.200 -0.125 0.000 0.999 314 S CB -0.287 62.838 63.200 -0.125 0.000 0.844 314 S HN 0.571 nan 8.310 nan 0.000 0.459 315 E N 1.268 121.416 120.200 -0.087 0.000 2.110 315 E HA -0.128 4.223 4.350 0.001 0.000 0.193 315 E C 1.952 178.494 176.600 -0.097 0.000 0.988 315 E CA 0.881 57.219 56.400 -0.103 0.000 0.804 315 E CB -0.231 29.382 29.700 -0.145 0.000 0.745 315 E HN 0.636 nan 8.360 nan 0.000 0.458 316 E N -0.155 120.002 120.200 -0.072 0.000 2.152 316 E HA -0.070 4.281 4.350 0.001 0.000 0.192 316 E C 2.112 178.698 176.600 -0.023 0.000 0.983 316 E CA 0.723 57.107 56.400 -0.026 0.000 0.818 316 E CB -0.132 29.587 29.700 0.030 0.000 0.758 316 E HN 0.255 nan 8.360 nan 0.000 0.467 317 G N 1.516 110.289 108.800 -0.046 0.000 2.418 317 G HA2 -0.232 3.729 3.960 0.001 0.000 0.217 317 G HA3 -0.232 3.729 3.960 0.001 0.000 0.217 317 G C 1.605 176.462 174.900 -0.072 0.000 1.158 317 G CA 0.468 45.534 45.100 -0.056 0.000 0.771 317 G HN 0.107 nan 8.290 nan 0.000 0.545 318 I N 1.290 121.819 120.570 -0.069 0.000 2.202 318 I HA -0.150 4.021 4.170 0.001 0.000 0.242 318 I C 3.284 179.357 176.117 -0.073 0.000 1.091 318 I CA 0.962 62.219 61.300 -0.071 0.000 1.368 318 I CB -0.196 37.769 38.000 -0.059 0.000 1.058 318 I HN 0.244 nan 8.210 nan 0.000 0.410 319 A N 0.717 123.507 122.820 -0.050 0.000 1.933 319 A HA -0.146 4.174 4.320 0.001 0.000 0.218 319 A C 2.532 180.115 177.584 -0.001 0.000 1.175 319 A CA 1.798 53.827 52.037 -0.014 0.000 0.628 319 A CB -0.764 18.239 19.000 0.006 0.000 0.814 319 A HN 0.433 nan 8.150 nan 0.000 0.444 320 A N 0.024 122.827 122.820 -0.028 0.000 1.858 320 A HA -0.029 4.292 4.320 0.001 0.000 0.216 320 A C 2.358 179.745 177.584 -0.328 0.000 1.190 320 A CA 2.404 54.379 52.037 -0.102 0.000 0.617 320 A CB -1.320 17.619 19.000 -0.101 0.000 0.827 320 A HN 1.150 nan 8.150 nan 0.000 0.443 321 V N -2.076 117.673 119.914 -0.276 0.000 2.427 321 V HA -0.198 3.923 4.120 0.001 0.000 0.248 321 V C 1.878 177.808 176.094 -0.272 0.000 1.051 321 V CA 2.292 64.405 62.300 -0.312 0.000 1.048 321 V CB -1.080 30.616 31.823 -0.211 0.000 0.666 321 V HN 0.592 nan 8.190 nan 0.000 0.456 322 E N 0.049 120.124 120.200 -0.209 0.000 2.150 322 E HA -0.232 4.119 4.350 0.001 0.000 0.193 322 E C 2.115 178.544 176.600 -0.285 0.000 0.985 322 E CA 1.548 57.793 56.400 -0.259 0.000 0.814 322 E CB -0.273 29.266 29.700 -0.268 0.000 0.752 322 E HN 0.886 nan 8.360 nan 0.000 0.466 323 H N 0.454 119.379 119.070 -0.243 0.000 2.357 323 H HA -0.014 4.543 4.556 0.001 0.000 0.301 323 H C 2.010 177.231 175.328 -0.179 0.000 1.082 323 H CA 1.568 57.531 56.048 -0.143 0.000 1.342 323 H CB 0.086 29.880 29.762 0.054 0.000 1.389 323 H HN 0.027 nan 8.280 nan 0.000 0.511 324 M N -0.765 118.638 119.600 -0.330 0.000 2.108 324 M HA -0.166 4.315 4.480 0.001 0.000 0.261 324 M C 2.071 178.116 176.300 -0.425 0.000 1.066 324 M CA 1.586 56.520 55.300 -0.610 0.000 1.107 324 M CB 0.076 32.054 32.600 -1.038 0.000 1.356 324 M HN 0.190 nan 8.290 nan 0.000 0.406 325 V N -0.690 119.035 119.914 -0.315 0.000 2.575 325 V HA -0.071 4.049 4.120 0.001 0.000 0.242 325 V C 1.968 177.975 176.094 -0.145 0.000 1.045 325 V CA 1.396 63.585 62.300 -0.184 0.000 1.065 325 V CB -0.388 31.342 31.823 -0.155 0.000 0.717 325 V HN 0.395 nan 8.190 nan 0.000 0.467 326 R N -0.291 120.080 120.500 -0.216 0.000 2.308 326 R HA 0.333 4.673 4.340 0.001 0.000 0.202 326 R C 1.626 177.919 176.300 -0.013 0.000 0.898 326 R CA 0.703 56.724 56.100 -0.133 0.000 1.046 326 R CB 0.668 30.759 30.300 -0.349 0.000 1.026 326 R HN 0.536 nan 8.270 nan 0.000 0.512 327 G N 1.409 110.075 108.800 -0.224 0.000 2.176 327 G HA2 -0.278 3.682 3.960 0.001 0.000 0.253 327 G HA3 -0.278 3.682 3.960 0.001 0.000 0.253 327 G C -0.086 174.800 174.900 -0.024 0.000 0.979 327 G CA 0.441 45.378 45.100 -0.272 0.000 0.641 327 G HN 0.361 nan 8.290 nan 0.000 0.530 328 F N -1.757 118.157 119.950 -0.060 0.000 2.641 328 F HA 0.787 5.315 4.527 0.001 0.000 0.308 328 F C -0.077 175.845 175.800 0.204 0.000 1.105 328 F CA -1.098 56.999 58.000 0.163 0.000 0.964 328 F CB 1.156 40.216 39.000 0.100 0.000 1.294 328 F HN 0.852 nan 8.300 nan 0.000 0.442 329 G N 0.829 109.822 108.800 0.323 0.000 2.673 329 G HA2 0.553 4.514 3.960 0.001 0.000 0.292 329 G HA3 0.553 4.514 3.960 0.001 0.000 0.292 329 G C -2.829 172.270 174.900 0.332 0.000 1.450 329 G CA -0.857 44.356 45.100 0.188 0.000 0.837 329 G HN 1.235 nan 8.290 nan 0.000 0.505 330 H N -1.211 117.932 119.070 0.122 0.000 3.085 330 H HA 0.625 5.182 4.556 0.001 0.000 0.356 330 H C -1.695 173.643 175.328 0.018 0.000 1.178 330 H CA -0.454 55.654 56.048 0.100 0.000 1.214 330 H CB 2.174 32.017 29.762 0.135 0.000 1.881 330 H HN 0.490 nan 8.280 nan 0.000 0.538 331 V N 3.977 123.434 119.914 -0.761 0.000 2.444 331 V HA 0.192 4.313 4.120 0.001 0.000 0.294 331 V C -0.441 175.049 176.094 -1.008 0.000 1.022 331 V CA -0.822 61.014 62.300 -0.773 0.000 0.850 331 V CB 1.561 32.843 31.823 -0.902 0.000 0.992 331 V HN 0.822 nan 8.190 nan 0.000 0.426 332 D N 3.555 123.649 120.400 -0.510 0.000 2.483 332 D HA 0.175 4.816 4.640 0.001 0.000 0.220 332 D C 0.639 176.820 176.300 -0.199 0.000 1.173 332 D CA -0.118 53.771 54.000 -0.184 0.000 0.964 332 D CB 0.447 41.370 40.800 0.205 0.000 1.046 332 D HN 0.506 nan 8.370 nan 0.000 0.517 333 Y N 1.079 121.338 120.300 -0.069 0.000 2.333 333 Y HA -0.156 4.395 4.550 0.001 0.000 0.290 333 Y C 2.260 178.111 175.900 -0.082 0.000 1.144 333 Y CA 0.795 58.849 58.100 -0.075 0.000 1.228 333 Y CB 0.035 38.444 38.460 -0.085 0.000 0.985 333 Y HN 0.369 nan 8.280 nan 0.000 0.542 334 Q N -0.679 119.154 119.800 0.054 0.000 2.369 334 Q HA 0.063 4.403 4.340 0.001 0.000 0.206 334 Q C 1.896 177.890 176.000 -0.009 0.000 0.963 334 Q CA 1.019 56.798 55.803 -0.039 0.000 0.894 334 Q CB -0.209 28.516 28.738 -0.021 0.000 0.965 334 Q HN 0.484 nan 8.270 nan 0.000 0.475 335 A N -0.084 122.754 122.820 0.030 0.000 2.387 335 A HA 0.238 4.558 4.320 0.001 0.000 0.234 335 A C 0.699 178.276 177.584 -0.012 0.000 1.253 335 A CA -0.324 51.730 52.037 0.028 0.000 0.894 335 A CB 0.162 19.234 19.000 0.120 0.000 0.963 335 A HN 0.155 nan 8.150 nan 0.000 0.508 336 I N 3.102 123.672 120.570 -0.000 0.000 2.379 336 I HA 0.185 4.356 4.170 0.001 0.000 0.290 336 I C -2.074 174.082 176.117 0.065 0.000 1.063 336 I CA -1.798 59.526 61.300 0.041 0.000 1.351 336 I CB 1.303 39.322 38.000 0.032 0.000 1.410 336 I HN 0.162 nan 8.210 nan 0.000 0.505 337 P HA 0.128 nan 4.420 nan 0.000 0.282 337 P C -0.807 176.595 177.300 0.170 0.000 1.249 337 P CA -0.458 62.681 63.100 0.065 0.000 0.806 337 P CB 1.698 33.388 31.700 -0.017 0.000 0.984 338 S N 1.458 117.199 115.700 0.068 0.000 2.519 338 S HA 0.546 5.017 4.470 0.001 0.000 0.309 338 S C -0.897 173.686 174.600 -0.028 0.000 1.100 338 S CA -0.547 57.691 58.200 0.063 0.000 1.059 338 S CB 0.293 63.516 63.200 0.039 0.000 1.008 338 S HN 0.206 nan 8.310 nan 0.000 0.478 339 V N 4.786 124.643 119.914 -0.094 0.000 2.789 339 V HA 0.578 4.699 4.120 0.001 0.000 0.311 339 V C -0.624 175.184 176.094 -0.477 0.000 1.073 339 V CA -0.810 61.286 62.300 -0.339 0.000 0.921 339 V CB 2.079 33.563 31.823 -0.564 0.000 1.009 339 V HN 0.693 nan 8.190 nan 0.000 0.426 340 V N 4.078 123.745 119.914 -0.411 0.000 2.370 340 V HA 0.319 4.440 4.120 0.001 0.000 0.283 340 V C -0.480 175.406 176.094 -0.347 0.000 1.023 340 V CA -0.389 61.760 62.300 -0.252 0.000 0.857 340 V CB 1.124 32.915 31.823 -0.053 0.000 0.985 340 V HN 0.858 nan 8.190 nan 0.000 0.443 341 Y N 2.854 123.172 120.300 0.029 0.000 2.740 341 Y HA 0.143 4.694 4.550 0.001 0.000 0.356 341 Y C 1.660 177.576 175.900 0.027 0.000 1.101 341 Y CA -0.495 57.619 58.100 0.023 0.000 1.477 341 Y CB -0.272 38.194 38.460 0.011 0.000 1.296 341 Y HN 0.767 nan 8.280 nan 0.000 0.507 342 T N -3.009 111.610 114.554 0.109 0.000 2.833 342 T HA 0.141 4.492 4.350 0.001 0.000 0.292 342 T C -0.466 174.334 174.700 0.167 0.000 1.031 342 T CA -0.615 61.547 62.100 0.102 0.000 0.937 342 T CB 1.252 70.165 68.868 0.075 0.000 1.256 342 T HN 0.314 nan 8.240 nan 0.000 0.551 343 H N 1.547 120.676 119.070 0.098 0.000 2.906 343 H HA 0.385 4.942 4.556 0.001 0.000 0.324 343 H C -2.810 172.598 175.328 0.134 0.000 0.973 343 H CA -2.074 54.032 56.048 0.096 0.000 1.321 343 H CB 1.786 31.601 29.762 0.089 0.000 1.535 343 H HN 0.488 nan 8.280 nan 0.000 0.518 344 P HA 0.067 nan 4.420 nan 0.000 0.272 344 P C -0.165 177.055 177.300 -0.133 0.000 1.240 344 P CA -0.176 62.688 63.100 -0.394 0.000 0.791 344 P CB 1.863 33.319 31.700 -0.406 0.000 0.978 345 E N 0.356 120.469 120.200 -0.146 0.000 2.342 345 E HA 0.429 4.780 4.350 0.001 0.000 0.257 345 E C -0.162 176.358 176.600 -0.135 0.000 1.150 345 E CA -0.522 55.824 56.400 -0.090 0.000 0.926 345 E CB 0.516 30.170 29.700 -0.077 0.000 1.074 345 E HN 0.388 nan 8.360 nan 0.000 0.449 346 I N 0.556 121.046 120.570 -0.133 0.000 2.569 346 I HA 0.570 4.741 4.170 0.001 0.000 0.290 346 I C -0.729 175.308 176.117 -0.134 0.000 1.088 346 I CA -0.651 60.570 61.300 -0.131 0.000 1.047 346 I CB 2.029 39.986 38.000 -0.072 0.000 1.237 346 I HN 0.479 nan 8.210 nan 0.000 0.421 347 A N 4.253 127.011 122.820 -0.103 0.000 2.587 347 A HA 1.009 5.329 4.320 0.001 0.000 0.293 347 A C -1.557 176.015 177.584 -0.020 0.000 1.087 347 A CA -0.578 51.410 52.037 -0.081 0.000 0.692 347 A CB 2.068 21.009 19.000 -0.098 0.000 1.291 347 A HN 0.940 nan 8.150 nan 0.000 0.407 348 A N -0.197 122.611 122.820 -0.020 0.000 2.520 348 A HA 0.810 5.130 4.320 0.001 0.000 0.298 348 A C -1.548 175.968 177.584 -0.112 0.000 1.051 348 A CA -0.386 51.639 52.037 -0.020 0.000 0.690 348 A CB 1.592 20.718 19.000 0.209 0.000 1.281 348 A HN 2.210 nan 8.150 nan 0.000 0.402 349 V N 1.683 121.434 119.914 -0.272 0.000 2.777 349 V HA 0.765 4.885 4.120 0.001 0.000 0.306 349 V C 0.451 176.441 176.094 -0.173 0.000 1.112 349 V CA 1.339 63.544 62.300 -0.159 0.000 0.917 349 V CB 1.365 33.113 31.823 -0.125 0.000 1.018 349 V HN 2.954 nan 8.190 nan 0.000 0.426 350 G N 5.148 113.889 108.800 -0.097 0.000 2.593 350 G HA2 -0.233 3.727 3.960 0.001 0.000 0.237 350 G HA3 -0.233 3.727 3.960 0.001 0.000 0.237 350 G C -0.735 174.129 174.900 -0.060 0.000 1.312 350 G CA 0.268 45.302 45.100 -0.109 0.000 0.896 350 G HN 1.192 nan 8.290 nan 0.000 0.574 351 Y N 1.566 121.927 120.300 0.103 0.000 2.346 351 Y HA 0.476 5.026 4.550 0.001 0.000 0.330 351 Y C 1.680 177.681 175.900 0.169 0.000 1.178 351 Y CA 0.363 58.523 58.100 0.100 0.000 1.331 351 Y CB 1.006 39.483 38.460 0.029 0.000 1.253 351 Y HN 0.837 nan 8.280 nan 0.000 0.529 352 T N -1.920 112.760 114.554 0.210 0.000 2.847 352 T HA 0.191 4.542 4.350 0.001 0.000 0.279 352 T C 0.860 175.489 174.700 -0.118 0.000 0.984 352 T CA -0.780 61.263 62.100 -0.095 0.000 0.988 352 T CB 1.060 69.859 68.868 -0.115 0.000 1.040 352 T HN 0.743 nan 8.240 nan 0.000 0.528 353 E N 0.223 120.299 120.200 -0.206 0.000 2.153 353 E HA -0.151 4.199 4.350 0.001 0.000 0.194 353 E C 1.945 178.498 176.600 -0.080 0.000 0.988 353 E CA 1.150 57.430 56.400 -0.201 0.000 0.811 353 E CB -0.032 29.637 29.700 -0.052 0.000 0.746 353 E HN 0.679 nan 8.360 nan 0.000 0.466 354 E N 0.951 121.126 120.200 -0.041 0.000 2.110 354 E HA -0.168 4.182 4.350 0.001 0.000 0.193 354 E C 1.740 178.347 176.600 0.012 0.000 0.988 354 E CA 0.999 57.399 56.400 -0.000 0.000 0.804 354 E CB -0.050 29.651 29.700 0.001 0.000 0.745 354 E HN 0.293 nan 8.360 nan 0.000 0.458 355 E N -0.012 120.201 120.200 0.023 0.000 2.107 355 E HA -0.081 4.270 4.350 0.001 0.000 0.191 355 E C 2.003 178.595 176.600 -0.014 0.000 0.982 355 E CA 0.576 57.014 56.400 0.065 0.000 0.809 355 E CB -0.038 29.786 29.700 0.206 0.000 0.756 355 E HN 0.212 nan 8.360 nan 0.000 0.459 356 L N 0.842 122.008 121.223 -0.095 0.000 2.056 356 L HA -0.168 4.173 4.340 0.001 0.000 0.207 356 L C 2.319 179.191 176.870 0.003 0.000 1.078 356 L CA 1.177 55.920 54.840 -0.161 0.000 0.749 356 L CB -0.321 41.499 42.059 -0.399 0.000 0.901 356 L HN 0.036 nan 8.230 nan 0.000 0.433 357 K N 0.277 120.716 120.400 0.066 0.000 2.057 357 K HA -0.139 4.182 4.320 0.001 0.000 0.207 357 K C 2.215 178.844 176.600 0.049 0.000 1.049 357 K CA 1.400 57.750 56.287 0.105 0.000 0.931 357 K CB -0.259 32.303 32.500 0.103 0.000 0.714 357 K HN 0.268 nan 8.250 nan 0.000 0.440 358 A N 1.225 124.063 122.820 0.029 0.000 1.969 358 A HA -0.182 4.139 4.320 0.001 0.000 0.218 358 A C 1.787 179.380 177.584 0.014 0.000 1.169 358 A CA 1.249 53.299 52.037 0.022 0.000 0.635 358 A CB -0.236 18.780 19.000 0.025 0.000 0.810 358 A HN 0.317 nan 8.150 nan 0.000 0.445 359 Q N -1.584 118.215 119.800 -0.002 0.000 2.360 359 Q HA 0.251 4.591 4.340 0.001 0.000 0.202 359 Q C 0.939 176.939 176.000 -0.001 0.000 0.915 359 Q CA 0.260 56.055 55.803 -0.014 0.000 0.943 359 Q CB 0.183 28.881 28.738 -0.067 0.000 1.064 359 Q HN 0.822 nan 8.270 nan 0.000 0.511 360 G N 1.935 110.745 108.800 0.016 0.000 2.246 360 G HA2 -0.269 3.692 3.960 0.001 0.000 0.273 360 G HA3 -0.269 3.692 3.960 0.001 0.000 0.273 360 G C -0.056 174.861 174.900 0.029 0.000 1.055 360 G CA -0.028 45.087 45.100 0.024 0.000 0.851 360 G HN 0.325 nan 8.290 nan 0.000 0.500 361 I N 2.192 122.787 120.570 0.041 0.000 2.325 361 I HA 0.256 4.427 4.170 0.001 0.000 0.291 361 I C -1.446 174.727 176.117 0.093 0.000 1.019 361 I CA -2.248 59.082 61.300 0.050 0.000 1.302 361 I CB 1.357 39.361 38.000 0.008 0.000 1.401 361 I HN -0.023 nan 8.210 nan 0.000 0.485 362 P HA 0.124 nan 4.420 nan 0.000 0.276 362 P C -1.530 175.687 177.300 -0.138 0.000 1.235 362 P CA 0.254 63.274 63.100 -0.134 0.000 0.772 362 P CB 0.432 32.022 31.700 -0.184 0.000 0.871 363 Y N -0.164 120.047 120.300 -0.148 0.000 2.625 363 Y HA 0.669 5.219 4.550 0.001 0.000 0.338 363 Y C -0.903 174.976 175.900 -0.035 0.000 1.123 363 Y CA -1.453 56.590 58.100 -0.095 0.000 1.046 363 Y CB 1.473 39.913 38.460 -0.034 0.000 1.299 363 Y HN 0.140 nan 8.280 nan 0.000 0.464 364 K N 1.484 121.972 120.400 0.147 0.000 2.208 364 K HA 0.765 5.086 4.320 0.001 0.000 0.247 364 K C -1.576 175.157 176.600 0.222 0.000 0.953 364 K CA -1.229 55.109 56.287 0.085 0.000 0.837 364 K CB 2.714 35.265 32.500 0.085 0.000 1.131 364 K HN 0.517 nan 8.250 nan 0.000 0.431 365 V N 1.192 121.196 119.914 0.150 0.000 2.487 365 V HA 0.504 4.625 4.120 0.001 0.000 0.298 365 V C -0.056 176.115 176.094 0.129 0.000 1.028 365 V CA -0.813 61.595 62.300 0.180 0.000 0.860 365 V CB 1.707 33.630 31.823 0.166 0.000 0.991 365 V HN 0.935 nan 8.190 nan 0.000 0.427 366 G N 3.612 112.503 108.800 0.152 0.000 2.478 366 G HA2 0.664 4.625 3.960 0.001 0.000 0.317 366 G HA3 0.664 4.625 3.960 0.001 0.000 0.317 366 G C -1.009 173.988 174.900 0.161 0.000 1.259 366 G CA -0.552 44.634 45.100 0.143 0.000 0.933 366 G HN 0.629 nan 8.290 nan 0.000 0.478 367 K N 1.814 122.304 120.400 0.150 0.000 2.427 367 K HA 0.666 4.987 4.320 0.001 0.000 0.252 367 K C -2.127 174.617 176.600 0.240 0.000 0.931 367 K CA -0.884 55.504 56.287 0.168 0.000 0.793 367 K CB 2.081 34.593 32.500 0.019 0.000 1.211 367 K HN 0.308 nan 8.250 nan 0.000 0.426 368 F N 5.690 125.712 119.950 0.121 0.000 2.557 368 F HA 0.483 5.011 4.527 0.001 0.000 0.316 368 F C -2.474 173.429 175.800 0.171 0.000 1.141 368 F CA -1.957 56.102 58.000 0.099 0.000 0.922 368 F CB 1.947 40.981 39.000 0.057 0.000 1.194 368 F HN 0.381 nan 8.300 nan 0.000 0.443 369 P HA 0.152 nan 4.420 nan 0.000 0.286 369 P C 0.007 177.306 177.300 -0.002 0.000 1.261 369 P CA -0.024 63.060 63.100 -0.027 0.000 0.821 369 P CB 1.276 32.903 31.700 -0.122 0.000 1.013 370 Y N 0.891 121.207 120.300 0.025 0.000 2.333 370 Y HA -0.218 4.332 4.550 0.001 0.000 0.290 370 Y C 2.773 178.676 175.900 0.005 0.000 1.144 370 Y CA 1.938 60.066 58.100 0.046 0.000 1.228 370 Y CB -0.313 38.168 38.460 0.035 0.000 0.985 370 Y HN 0.407 nan 8.280 nan 0.000 0.542 371 S N -0.475 115.290 115.700 0.108 0.000 2.442 371 S HA -0.157 4.313 4.470 0.001 0.000 0.236 371 S C 1.783 176.371 174.600 -0.020 0.000 1.007 371 S CA 0.803 59.025 58.200 0.036 0.000 0.965 371 S CB -0.370 62.832 63.200 0.004 0.000 0.773 371 S HN 0.327 nan 8.310 nan 0.000 0.504 372 A N 0.721 123.469 122.820 -0.120 0.000 2.345 372 A HA 0.503 4.823 4.320 0.001 0.000 0.225 372 A C 0.964 178.620 177.584 0.119 0.000 1.243 372 A CA 0.052 52.021 52.037 -0.113 0.000 0.875 372 A CB -0.144 18.563 19.000 -0.488 0.000 0.929 372 A HN 0.433 nan 8.150 nan 0.000 0.502 373 S N -0.393 115.382 115.700 0.125 0.000 2.452 373 S HA 0.452 4.923 4.470 0.001 0.000 0.284 373 S C 1.447 176.092 174.600 0.075 0.000 1.171 373 S CA 0.032 58.317 58.200 0.143 0.000 1.064 373 S CB 1.063 64.284 63.200 0.036 0.000 0.967 373 S HN 0.457 nan 8.310 nan 0.000 0.484 374 G N 4.616 113.454 108.800 0.063 0.000 2.418 374 G HA2 -0.205 3.755 3.960 0.001 0.000 0.217 374 G HA3 -0.205 3.755 3.960 0.001 0.000 0.217 374 G C 1.473 176.365 174.900 -0.014 0.000 1.158 374 G CA 0.700 45.816 45.100 0.026 0.000 0.771 374 G HN 0.667 nan 8.290 nan 0.000 0.545 375 R N 1.145 121.614 120.500 -0.051 0.000 2.075 375 R HA 0.156 4.497 4.340 0.001 0.000 0.232 375 R C 2.736 179.044 176.300 0.012 0.000 1.126 375 R CA 1.760 57.834 56.100 -0.044 0.000 0.963 375 R CB -0.898 29.360 30.300 -0.069 0.000 0.858 375 R HN 0.228 nan 8.270 nan 0.000 0.435 376 A N 0.588 123.427 122.820 0.031 0.000 1.902 376 A HA -0.138 4.183 4.320 0.001 0.000 0.217 376 A C 2.204 179.847 177.584 0.097 0.000 1.181 376 A CA 1.591 53.692 52.037 0.106 0.000 0.623 376 A CB -0.462 18.637 19.000 0.166 0.000 0.818 376 A HN 0.375 nan 8.150 nan 0.000 0.443 377 R N -0.539 120.004 120.500 0.072 0.000 2.081 377 R HA -0.105 4.235 4.340 0.001 0.000 0.235 377 R C 2.477 178.807 176.300 0.049 0.000 1.131 377 R CA 1.240 57.376 56.100 0.060 0.000 0.960 377 R CB -0.505 29.825 30.300 0.050 0.000 0.856 377 R HN 0.516 nan 8.270 nan 0.000 0.436 378 A N 0.964 123.806 122.820 0.037 0.000 1.940 378 A HA -0.177 4.143 4.320 0.001 0.000 0.219 378 A C 2.103 179.709 177.584 0.037 0.000 1.176 378 A CA 1.506 53.559 52.037 0.028 0.000 0.631 378 A CB -0.411 18.596 19.000 0.012 0.000 0.814 378 A HN 0.222 nan 8.150 nan 0.000 0.446 379 M N -1.750 117.880 119.600 0.051 0.000 2.476 379 M HA 0.120 4.601 4.480 0.001 0.000 0.262 379 M C 1.410 177.751 176.300 0.069 0.000 1.079 379 M CA 1.002 56.341 55.300 0.064 0.000 1.104 379 M CB 0.076 32.730 32.600 0.090 0.000 1.409 379 M HN 0.663 nan 8.290 nan 0.000 0.467 380 G N 0.537 109.378 108.800 0.068 0.000 2.131 380 G HA2 -0.152 3.809 3.960 0.001 0.000 0.223 380 G HA3 -0.152 3.809 3.960 0.001 0.000 0.223 380 G C -0.319 174.631 174.900 0.083 0.000 0.990 380 G CA -0.390 44.748 45.100 0.063 0.000 0.671 380 G HN 0.398 nan 8.290 nan 0.000 0.521 381 E N -0.049 120.215 120.200 0.106 0.000 2.204 381 E HA 0.660 5.011 4.350 0.001 0.000 0.276 381 E C 1.059 177.734 176.600 0.125 0.000 0.974 381 E CA 0.248 56.720 56.400 0.120 0.000 0.815 381 E CB 1.602 31.399 29.700 0.163 0.000 1.119 381 E HN 0.540 nan 8.360 nan 0.000 0.393 382 T N -1.915 112.695 114.554 0.093 0.000 3.147 382 T HA 0.144 4.495 4.350 0.001 0.000 0.275 382 T C 0.228 174.972 174.700 0.073 0.000 0.879 382 T CA -0.311 61.847 62.100 0.097 0.000 0.863 382 T CB 0.280 69.185 68.868 0.062 0.000 1.236 382 T HN 0.224 nan 8.240 nan 0.000 0.582 383 E N 1.292 121.490 120.200 -0.003 0.000 2.266 383 E HA 0.580 4.931 4.350 0.001 0.000 0.277 383 E C 0.398 176.865 176.600 -0.222 0.000 1.018 383 E CA -0.104 56.257 56.400 -0.065 0.000 0.840 383 E CB 1.329 30.982 29.700 -0.079 0.000 1.082 383 E HN 0.667 nan 8.360 nan 0.000 0.395 384 G N 1.383 110.107 108.800 -0.127 0.000 2.462 384 G HA2 0.119 4.080 3.960 0.001 0.000 0.685 384 G HA3 0.119 4.080 3.960 0.001 0.000 0.685 384 G C -1.227 173.781 174.900 0.180 0.000 1.295 384 G CA -0.552 44.401 45.100 -0.245 0.000 0.941 384 G HN 0.590 nan 8.290 nan 0.000 0.554 385 F N -2.248 117.794 119.950 0.153 0.000 2.807 385 F HA 0.831 5.358 4.527 0.001 0.000 0.316 385 F C -1.257 174.698 175.800 0.259 0.000 1.162 385 F CA -1.749 56.409 58.000 0.264 0.000 0.910 385 F CB 0.897 39.966 39.000 0.115 0.000 1.314 385 F HN 0.653 nan 8.300 nan 0.000 0.454 386 I N 2.111 122.985 120.570 0.507 0.000 2.498 386 I HA 0.459 4.629 4.170 0.001 0.000 0.290 386 I C -1.097 175.295 176.117 0.458 0.000 1.032 386 I CA -0.800 60.709 61.300 0.348 0.000 1.073 386 I CB 2.305 40.437 38.000 0.219 0.000 1.251 386 I HN 0.720 nan 8.210 nan 0.000 0.426 387 K N 5.663 126.318 120.400 0.425 0.000 2.345 387 K HA 0.712 5.033 4.320 0.001 0.000 0.255 387 K C -1.768 174.991 176.600 0.266 0.000 0.934 387 K CA -0.511 55.991 56.287 0.358 0.000 0.801 387 K CB 2.139 34.888 32.500 0.414 0.000 1.137 387 K HN 0.387 nan 8.250 nan 0.000 0.424 388 V N 5.789 125.832 119.914 0.216 0.000 2.495 388 V HA 0.400 4.521 4.120 0.001 0.000 0.298 388 V C -0.522 175.691 176.094 0.199 0.000 1.031 388 V CA -0.871 61.537 62.300 0.180 0.000 0.871 388 V CB 1.444 33.355 31.823 0.146 0.000 0.988 388 V HN 0.689 nan 8.190 nan 0.000 0.432 389 L N 4.671 126.011 121.223 0.194 0.000 2.287 389 L HA 0.878 5.219 4.340 0.001 0.000 0.287 389 L C 0.120 177.107 176.870 0.194 0.000 1.022 389 L CA -0.377 54.582 54.840 0.198 0.000 0.814 389 L CB 1.564 43.681 42.059 0.097 0.000 1.217 389 L HN 0.724 nan 8.230 nan 0.000 0.420 390 A N 1.473 124.433 122.820 0.232 0.000 2.401 390 A HA 0.494 4.815 4.320 0.001 0.000 0.310 390 A C -0.979 176.755 177.584 0.249 0.000 1.075 390 A CA -0.653 51.520 52.037 0.226 0.000 0.746 390 A CB 0.887 20.014 19.000 0.212 0.000 1.277 390 A HN 0.775 nan 8.150 nan 0.000 0.425 391 H N 1.604 120.769 119.070 0.158 0.000 3.094 391 H HA 0.248 4.805 4.556 0.001 0.000 0.320 391 H C 1.369 176.774 175.328 0.129 0.000 1.000 391 H CA 1.116 57.249 56.048 0.141 0.000 1.413 391 H CB 1.079 30.902 29.762 0.102 0.000 1.405 391 H HN 0.755 nan 8.280 nan 0.000 0.586 392 A N 4.747 127.447 122.820 -0.201 0.000 2.070 392 A HA -0.155 4.166 4.320 0.001 0.000 0.220 392 A C 2.108 179.712 177.584 0.033 0.000 1.159 392 A CA 1.826 53.814 52.037 -0.081 0.000 0.656 392 A CB -0.253 18.651 19.000 -0.159 0.000 0.800 392 A HN 0.799 nan 8.150 nan 0.000 0.453 393 K N -1.438 119.064 120.400 0.169 0.000 2.306 393 K HA -0.026 4.295 4.320 0.001 0.000 0.200 393 K C 1.866 178.623 176.600 0.262 0.000 1.083 393 K CA 1.166 57.599 56.287 0.244 0.000 0.959 393 K CB 0.171 32.828 32.500 0.263 0.000 0.994 393 K HN 0.477 nan 8.250 nan 0.000 0.492 394 T N -2.005 112.764 114.554 0.358 0.000 3.065 394 T HA 0.035 4.386 4.350 0.001 0.000 0.252 394 T C 0.499 175.299 174.700 0.166 0.000 1.099 394 T CA 0.817 63.012 62.100 0.158 0.000 1.063 394 T CB 0.066 68.927 68.868 -0.011 0.000 0.948 394 T HN 0.359 nan 8.240 nan 0.000 0.506 395 D N 0.545 121.087 120.400 0.235 0.000 3.046 395 D HA -0.201 4.439 4.640 0.001 0.000 0.210 395 D C 0.220 176.624 176.300 0.172 0.000 1.124 395 D CA 0.735 54.866 54.000 0.218 0.000 0.986 395 D CB -1.393 39.538 40.800 0.219 0.000 1.118 395 D HN 0.665 nan 8.370 nan 0.000 0.416 396 R N 0.531 121.130 120.500 0.165 0.000 2.570 396 R HA 0.290 4.630 4.340 0.001 0.000 0.277 396 R C 0.384 176.777 176.300 0.156 0.000 1.039 396 R CA -0.215 55.959 56.100 0.122 0.000 1.065 396 R CB 0.293 30.639 30.300 0.077 0.000 0.964 396 R HN 0.270 nan 8.270 nan 0.000 0.428 397 I N 6.500 127.146 120.570 0.127 0.000 2.598 397 I HA -0.119 4.051 4.170 0.001 0.000 0.284 397 I C 1.096 177.306 176.117 0.155 0.000 1.140 397 I CA 0.270 61.651 61.300 0.134 0.000 1.420 397 I CB 0.716 38.776 38.000 0.102 0.000 1.387 397 I HN 0.695 nan 8.210 nan 0.000 0.553 398 L N 5.814 127.145 121.223 0.180 0.000 2.425 398 L HA 0.391 4.732 4.340 0.001 0.000 0.215 398 L C 0.959 177.977 176.870 0.246 0.000 1.065 398 L CA 0.053 55.037 54.840 0.239 0.000 0.842 398 L CB 0.023 42.204 42.059 0.203 0.000 1.033 398 L HN 0.763 nan 8.230 nan 0.000 0.474 399 G N -0.600 108.298 108.800 0.164 0.000 2.632 399 G HA2 0.530 4.490 3.960 0.001 0.000 0.292 399 G HA3 0.530 4.490 3.960 0.001 0.000 0.292 399 G C -1.980 172.916 174.900 -0.007 0.000 1.465 399 G CA -0.333 44.822 45.100 0.091 0.000 0.824 399 G HN -0.286 nan 8.290 nan 0.000 0.509 400 V N 0.907 120.640 119.914 -0.301 0.000 2.686 400 V HA 0.715 4.836 4.120 0.001 0.000 0.306 400 V C -0.920 174.824 176.094 -0.582 0.000 1.065 400 V CA -0.845 61.324 62.300 -0.219 0.000 0.894 400 V CB 1.931 33.697 31.823 -0.094 0.000 1.004 400 V HN 0.947 nan 8.190 nan 0.000 0.424 401 H N 1.189 120.307 119.070 0.081 0.000 2.961 401 H HA 0.902 5.458 4.556 0.001 0.000 0.371 401 H C 0.174 175.513 175.328 0.019 0.000 1.190 401 H CA -0.068 56.010 56.048 0.050 0.000 1.138 401 H CB 2.361 32.170 29.762 0.079 0.000 1.816 401 H HN 1.066 nan 8.280 nan 0.000 0.551 402 G N 0.184 108.984 108.800 -0.000 0.000 2.576 402 G HA2 0.486 4.446 3.960 0.001 0.000 0.290 402 G HA3 0.486 4.446 3.960 0.001 0.000 0.290 402 G C -1.874 172.819 174.900 -0.344 0.000 1.442 402 G CA -0.648 44.314 45.100 -0.231 0.000 0.792 402 G HN 0.708 nan 8.290 nan 0.000 0.491 403 I N -0.035 120.216 120.570 -0.531 0.000 2.644 403 I HA 0.753 4.924 4.170 0.001 0.000 0.291 403 I C -0.146 175.647 176.117 -0.540 0.000 1.180 403 I CA 0.185 61.206 61.300 -0.465 0.000 1.040 403 I CB 1.885 39.581 38.000 -0.506 0.000 1.255 403 I HN 1.666 nan 8.210 nan 0.000 0.422 404 G N 4.366 112.849 108.800 -0.529 0.000 2.352 404 G HA2 0.469 4.429 3.960 0.001 0.000 0.302 404 G HA3 0.469 4.429 3.960 0.001 0.000 0.302 404 G C -1.176 173.406 174.900 -0.530 0.000 1.370 404 G CA -0.358 44.197 45.100 -0.909 0.000 0.918 404 G HN 1.050 nan 8.290 nan 0.000 0.610 405 A N 0.117 122.650 122.820 -0.479 0.000 2.566 405 A HA 0.508 4.828 4.320 0.001 0.000 0.245 405 A C 1.502 179.133 177.584 0.077 0.000 1.056 405 A CA 1.430 53.380 52.037 -0.144 0.000 0.757 405 A CB -0.456 18.564 19.000 0.033 0.000 0.979 405 A HN 1.768 nan 8.150 nan 0.000 0.508 406 R N 0.952 121.488 120.500 0.060 0.000 3.610 406 R HA -0.190 4.150 4.340 0.001 0.000 0.274 406 R C 0.797 177.156 176.300 0.098 0.000 1.123 406 R CA 0.625 56.784 56.100 0.099 0.000 0.747 406 R CB -2.401 27.968 30.300 0.115 0.000 1.149 406 R HN 0.644 nan 8.270 nan 0.000 0.471 407 V N -0.256 119.702 119.914 0.073 0.000 2.594 407 V HA -0.167 3.954 4.120 0.001 0.000 0.253 407 V C 2.344 178.452 176.094 0.023 0.000 1.069 407 V CA 2.447 64.796 62.300 0.081 0.000 1.082 407 V CB -0.260 31.575 31.823 0.021 0.000 0.680 407 V HN 0.649 nan 8.190 nan 0.000 0.469 408 G N -0.844 107.953 108.800 -0.005 0.000 2.422 408 G HA2 -0.230 3.730 3.960 0.001 0.000 0.218 408 G HA3 -0.230 3.730 3.960 0.001 0.000 0.218 408 G C 1.267 176.181 174.900 0.022 0.000 1.146 408 G CA 0.920 46.007 45.100 -0.021 0.000 0.769 408 G HN 0.547 nan 8.290 nan 0.000 0.547 409 D N 0.309 120.741 120.400 0.054 0.000 2.117 409 D HA -0.076 4.565 4.640 0.001 0.000 0.198 409 D C 2.778 179.096 176.300 0.030 0.000 0.982 409 D CA 0.637 54.664 54.000 0.045 0.000 0.828 409 D CB -0.362 40.472 40.800 0.057 0.000 0.967 409 D HN 0.202 nan 8.370 nan 0.000 0.464 410 V N 0.936 120.874 119.914 0.041 0.000 2.343 410 V HA -0.197 3.924 4.120 0.001 0.000 0.247 410 V C 2.183 178.290 176.094 0.021 0.000 1.051 410 V CA 1.010 63.332 62.300 0.036 0.000 1.036 410 V CB -0.279 31.572 31.823 0.046 0.000 0.654 410 V HN 0.133 nan 8.190 nan 0.000 0.451 411 L N 0.380 121.606 121.223 0.006 0.000 2.622 411 L HA 0.127 4.468 4.340 0.001 0.000 0.233 411 L C 2.325 179.176 176.870 -0.032 0.000 1.156 411 L CA 1.318 56.149 54.840 -0.016 0.000 0.866 411 L CB -1.213 40.824 42.059 -0.036 0.000 0.980 411 L HN 0.260 nan 8.230 nan 0.000 0.448 412 A N -0.867 121.936 122.820 -0.028 0.000 1.972 412 A HA -0.218 4.103 4.320 0.001 0.000 0.219 412 A C 2.354 179.905 177.584 -0.054 0.000 1.169 412 A CA 1.568 53.574 52.037 -0.052 0.000 0.635 412 A CB -0.329 18.645 19.000 -0.044 0.000 0.810 412 A HN 0.478 nan 8.150 nan 0.000 0.446 413 E N -0.233 119.955 120.200 -0.022 0.000 2.106 413 E HA -0.082 4.268 4.350 0.001 0.000 0.192 413 E C 2.143 178.737 176.600 -0.011 0.000 0.984 413 E CA 0.802 57.198 56.400 -0.006 0.000 0.806 413 E CB -0.187 29.541 29.700 0.046 0.000 0.750 413 E HN 0.560 nan 8.360 nan 0.000 0.458 414 A N 1.152 123.966 122.820 -0.010 0.000 1.933 414 A HA -0.084 4.237 4.320 0.001 0.000 0.218 414 A C 2.347 179.910 177.584 -0.036 0.000 1.175 414 A CA 1.628 53.657 52.037 -0.013 0.000 0.628 414 A CB -0.595 18.391 19.000 -0.024 0.000 0.814 414 A HN 0.377 nan 8.150 nan 0.000 0.444 415 A N -0.598 122.185 122.820 -0.062 0.000 1.902 415 A HA -0.015 4.306 4.320 0.001 0.000 0.217 415 A C 2.109 179.626 177.584 -0.112 0.000 1.181 415 A CA 1.669 53.659 52.037 -0.079 0.000 0.623 415 A CB -0.563 18.376 19.000 -0.102 0.000 0.818 415 A HN 0.604 nan 8.150 nan 0.000 0.443 416 L N -0.284 120.839 121.223 -0.167 0.000 2.046 416 L HA -0.040 4.301 4.340 0.001 0.000 0.208 416 L C 2.691 179.363 176.870 -0.330 0.000 1.077 416 L CA 2.017 56.660 54.840 -0.328 0.000 0.747 416 L CB -0.726 41.159 42.059 -0.291 0.000 0.896 416 L HN 0.347 nan 8.230 nan 0.000 0.432 417 A N -0.627 122.133 122.820 -0.101 0.000 1.902 417 A HA -0.192 4.129 4.320 0.001 0.000 0.217 417 A C 2.282 179.895 177.584 0.050 0.000 1.181 417 A CA 2.051 54.102 52.037 0.023 0.000 0.623 417 A CB -0.902 18.128 19.000 0.051 0.000 0.818 417 A HN 0.476 nan 8.150 nan 0.000 0.443 418 L N -2.244 118.998 121.223 0.031 0.000 2.093 418 L HA -0.137 4.204 4.340 0.001 0.000 0.208 418 L C 2.428 179.361 176.870 0.105 0.000 1.085 418 L CA 1.299 56.180 54.840 0.068 0.000 0.755 418 L CB -0.430 41.660 42.059 0.051 0.000 0.904 418 L HN 0.477 nan 8.230 nan 0.000 0.435 419 F N -0.087 119.787 119.950 -0.127 0.000 2.216 419 F HA -0.217 4.310 4.527 0.001 0.000 0.300 419 F C 1.782 177.622 175.800 0.067 0.000 1.085 419 F CA 1.298 59.227 58.000 -0.119 0.000 1.326 419 F CB -0.110 38.695 39.000 -0.324 0.000 1.027 419 F HN -0.030 nan 8.300 nan 0.000 0.497 420 F N 0.959 120.935 119.950 0.043 0.000 2.732 420 F HA 0.201 4.728 4.527 0.001 0.000 0.303 420 F C 0.777 176.549 175.800 -0.047 0.000 1.110 420 F CA -0.425 57.544 58.000 -0.052 0.000 1.355 420 F CB -1.004 38.007 39.000 0.017 0.000 1.081 420 F HN -0.198 nan 8.300 nan 0.000 0.565 421 K N -0.463 120.018 120.400 0.135 0.000 3.077 421 K HA -0.207 4.113 4.320 0.001 0.000 0.264 421 K C 0.340 176.991 176.600 0.086 0.000 1.008 421 K CA 0.743 57.080 56.287 0.084 0.000 0.740 421 K CB -2.164 30.361 32.500 0.042 0.000 1.273 421 K HN 0.291 nan 8.250 nan 0.000 0.477 422 A N 0.971 123.859 122.820 0.112 0.000 2.366 422 A HA 0.489 4.809 4.320 0.001 0.000 0.249 422 A C 0.918 178.535 177.584 0.056 0.000 1.084 422 A CA 0.311 52.398 52.037 0.084 0.000 0.794 422 A CB 0.458 19.523 19.000 0.108 0.000 1.034 422 A HN 0.526 nan 8.150 nan 0.000 0.491 423 S N 0.217 115.928 115.700 0.018 0.000 2.713 423 S HA 0.581 5.051 4.470 0.001 0.000 0.283 423 S C 1.144 175.739 174.600 -0.009 0.000 1.161 423 S CA -0.146 58.061 58.200 0.011 0.000 0.999 423 S CB 1.358 64.537 63.200 -0.034 0.000 1.039 423 S HN 1.597 nan 8.310 nan 0.000 0.548 424 A N 0.306 123.143 122.820 0.029 0.000 1.933 424 A HA -0.102 4.218 4.320 0.001 0.000 0.218 424 A C 2.084 179.615 177.584 -0.089 0.000 1.175 424 A CA 1.727 53.796 52.037 0.053 0.000 0.628 424 A CB -1.156 17.953 19.000 0.181 0.000 0.814 424 A HN 1.000 nan 8.150 nan 0.000 0.444 425 E N -0.107 119.863 120.200 -0.384 0.000 2.051 425 E HA -0.245 4.106 4.350 0.001 0.000 0.192 425 E C 1.293 177.597 176.600 -0.494 0.000 0.991 425 E CA 1.379 57.214 56.400 -0.943 0.000 0.799 425 E CB -0.164 28.600 29.700 -1.559 0.000 0.748 425 E HN 0.558 nan 8.360 nan 0.000 0.449 426 D N 0.643 120.872 120.400 -0.285 0.000 2.106 426 D HA -0.194 4.447 4.640 0.001 0.000 0.191 426 D C 2.046 178.309 176.300 -0.061 0.000 0.997 426 D CA 0.891 54.805 54.000 -0.144 0.000 0.834 426 D CB -0.338 40.424 40.800 -0.064 0.000 0.956 426 D HN 0.204 nan 8.370 nan 0.000 0.448 427 L N 0.981 122.192 121.223 -0.020 0.000 2.027 427 L HA 0.021 4.362 4.340 0.001 0.000 0.206 427 L C 2.259 179.173 176.870 0.073 0.000 1.074 427 L CA 2.153 57.028 54.840 0.058 0.000 0.745 427 L CB -1.069 41.026 42.059 0.060 0.000 0.898 427 L HN 0.052 nan 8.230 nan 0.000 0.433 428 G N -0.825 107.974 108.800 -0.003 0.000 2.448 428 G HA2 -0.218 3.742 3.960 0.001 0.000 0.219 428 G HA3 -0.218 3.742 3.960 0.001 0.000 0.219 428 G C 1.649 176.560 174.900 0.018 0.000 1.127 428 G CA 0.534 45.635 45.100 0.002 0.000 0.766 428 G HN 0.421 nan 8.290 nan 0.000 0.552 429 R N 0.316 120.795 120.500 -0.034 0.000 2.276 429 R HA 0.330 4.670 4.340 0.001 0.000 0.196 429 R C 1.241 177.563 176.300 0.036 0.000 0.961 429 R CA 0.265 56.355 56.100 -0.018 0.000 1.024 429 R CB 0.125 30.358 30.300 -0.111 0.000 0.940 429 R HN 0.302 nan 8.270 nan 0.000 0.480 430 A N 2.971 125.840 122.820 0.082 0.000 2.445 430 A HA 0.265 4.586 4.320 0.001 0.000 0.242 430 A C -2.200 175.423 177.584 0.064 0.000 1.075 430 A CA -1.124 50.941 52.037 0.047 0.000 0.777 430 A CB -0.045 18.966 19.000 0.019 0.000 1.013 430 A HN -0.074 nan 8.150 nan 0.000 0.493 431 P HA 0.352 nan 4.420 nan 0.000 0.271 431 P C -0.972 176.203 177.300 -0.208 0.000 1.216 431 P CA 0.562 63.642 63.100 -0.034 0.000 0.771 431 P CB 0.437 32.110 31.700 -0.046 0.000 0.864 432 H N 0.326 119.400 119.070 0.007 0.000 2.667 432 H HA 0.573 5.129 4.556 0.001 0.000 0.353 432 H C -0.230 175.115 175.328 0.028 0.000 1.072 432 H CA -0.730 55.323 56.048 0.009 0.000 1.214 432 H CB 1.422 31.181 29.762 -0.005 0.000 1.600 432 H HN 0.396 nan 8.280 nan 0.000 0.527 433 A N 2.762 125.646 122.820 0.107 0.000 2.498 433 A HA 0.140 4.461 4.320 0.001 0.000 0.239 433 A C -0.360 177.299 177.584 0.125 0.000 1.068 433 A CA 0.203 52.295 52.037 0.091 0.000 0.766 433 A CB -0.031 18.997 19.000 0.047 0.000 1.003 433 A HN 0.800 nan 8.150 nan 0.000 0.497 434 H N 3.671 122.759 119.070 0.030 0.000 2.529 434 H HA 0.540 5.096 4.556 0.001 0.000 0.348 434 H C -2.549 172.791 175.328 0.020 0.000 1.079 434 H CA -1.649 54.413 56.048 0.023 0.000 1.198 434 H CB 1.885 31.659 29.762 0.020 0.000 1.521 434 H HN 0.627 nan 8.280 nan 0.000 0.514 435 P HA 0.246 nan 4.420 nan 0.000 0.301 435 P C -1.293 175.881 177.300 -0.210 0.000 1.348 435 P CA -0.539 62.203 63.100 -0.595 0.000 0.826 435 P CB 1.483 32.808 31.700 -0.624 0.000 0.945 436 S N 1.747 117.369 115.700 -0.130 0.000 2.588 436 S HA 0.374 4.845 4.470 0.001 0.000 0.275 436 S C 0.879 175.443 174.600 -0.060 0.000 1.130 436 S CA -0.938 57.228 58.200 -0.056 0.000 0.855 436 S CB 1.172 64.369 63.200 -0.004 0.000 1.116 436 S HN 0.220 nan 8.310 nan 0.000 0.472 437 L N 1.767 122.960 121.223 -0.050 0.000 2.275 437 L HA -0.040 4.301 4.340 0.001 0.000 0.215 437 L C 2.813 179.628 176.870 -0.091 0.000 1.119 437 L CA 1.271 56.050 54.840 -0.101 0.000 0.790 437 L CB -0.679 41.346 42.059 -0.057 0.000 0.919 437 L HN 0.965 nan 8.230 nan 0.000 0.443 438 S N -0.533 115.156 115.700 -0.018 0.000 2.442 438 S HA -0.195 4.275 4.470 0.001 0.000 0.236 438 S C 1.570 176.120 174.600 -0.083 0.000 1.007 438 S CA 0.972 59.188 58.200 0.028 0.000 0.965 438 S CB -0.306 62.997 63.200 0.171 0.000 0.773 438 S HN 0.524 nan 8.310 nan 0.000 0.504 439 E N 0.964 121.097 120.200 -0.112 0.000 2.268 439 E HA -0.005 4.346 4.350 0.001 0.000 0.195 439 E C 1.786 178.187 176.600 -0.332 0.000 0.995 439 E CA 1.075 57.339 56.400 -0.226 0.000 0.836 439 E CB -0.396 29.234 29.700 -0.116 0.000 0.763 439 E HN 0.638 nan 8.360 nan 0.000 0.491 440 I N 0.678 121.107 120.570 -0.235 0.000 2.252 440 I HA -0.238 3.933 4.170 0.001 0.000 0.245 440 I C 2.380 178.408 176.117 -0.148 0.000 1.102 440 I CA 0.532 61.732 61.300 -0.166 0.000 1.385 440 I CB -0.103 37.818 38.000 -0.132 0.000 1.064 440 I HN 0.142 nan 8.210 nan 0.000 0.414 441 L N 1.219 122.360 121.223 -0.137 0.000 2.056 441 L HA -0.191 4.149 4.340 0.001 0.000 0.207 441 L C 2.454 179.217 176.870 -0.179 0.000 1.078 441 L CA 1.859 56.645 54.840 -0.089 0.000 0.749 441 L CB -0.710 41.322 42.059 -0.045 0.000 0.901 441 L HN 0.098 nan 8.230 nan 0.000 0.433 442 K N -0.728 119.437 120.400 -0.391 0.000 2.032 442 K HA -0.203 4.118 4.320 0.001 0.000 0.209 442 K C 1.924 178.352 176.600 -0.287 0.000 1.048 442 K CA 1.661 57.660 56.287 -0.479 0.000 0.927 442 K CB -0.112 31.887 32.500 -0.836 0.000 0.712 442 K HN 0.345 nan 8.250 nan 0.000 0.441 443 E N 0.230 120.189 120.200 -0.402 0.000 2.150 443 E HA -0.145 4.206 4.350 0.001 0.000 0.193 443 E C 1.908 178.419 176.600 -0.148 0.000 0.985 443 E CA 1.063 57.202 56.400 -0.435 0.000 0.814 443 E CB -0.145 28.808 29.700 -1.246 0.000 0.752 443 E HN 0.454 nan 8.360 nan 0.000 0.466 444 A N 1.435 124.223 122.820 -0.053 0.000 1.898 444 A HA -0.047 4.273 4.320 0.001 0.000 0.216 444 A C 2.416 180.060 177.584 0.100 0.000 1.181 444 A CA 1.833 53.935 52.037 0.110 0.000 0.620 444 A CB -0.475 18.616 19.000 0.151 0.000 0.819 444 A HN 0.261 nan 8.150 nan 0.000 0.442 445 A N -0.135 122.719 122.820 0.056 0.000 1.877 445 A HA -0.036 4.284 4.320 0.001 0.000 0.216 445 A C 2.169 179.852 177.584 0.164 0.000 1.186 445 A CA 1.467 53.560 52.037 0.093 0.000 0.620 445 A CB -0.637 18.389 19.000 0.044 0.000 0.822 445 A HN 0.463 nan 8.150 nan 0.000 0.443 446 L N -0.768 120.540 121.223 0.141 0.000 2.046 446 L HA -0.222 4.118 4.340 0.001 0.000 0.208 446 L C 3.107 180.102 176.870 0.210 0.000 1.077 446 L CA 1.128 56.120 54.840 0.253 0.000 0.747 446 L CB -0.577 41.575 42.059 0.156 0.000 0.896 446 L HN 0.457 nan 8.230 nan 0.000 0.432 447 A N -0.077 122.825 122.820 0.137 0.000 1.933 447 A HA -0.155 4.165 4.320 0.001 0.000 0.218 447 A C 2.520 180.175 177.584 0.119 0.000 1.175 447 A CA 1.717 53.822 52.037 0.113 0.000 0.628 447 A CB -0.620 18.459 19.000 0.132 0.000 0.814 447 A HN 0.414 nan 8.150 nan 0.000 0.444 448 A N -1.367 121.551 122.820 0.163 0.000 1.873 448 A HA -0.124 4.197 4.320 0.001 0.000 0.215 448 A C 1.983 179.696 177.584 0.216 0.000 1.186 448 A CA 1.620 53.763 52.037 0.175 0.000 0.616 448 A CB -0.925 18.189 19.000 0.191 0.000 0.823 448 A HN 0.887 nan 8.150 nan 0.000 0.442 449 W N 1.351 122.683 121.300 0.055 0.000 2.358 449 W HA -0.126 4.535 4.660 0.001 0.000 0.303 449 W C 1.319 177.860 176.519 0.038 0.000 1.208 449 W CA 1.763 59.137 57.345 0.049 0.000 1.274 449 W CB -0.308 29.178 29.460 0.042 0.000 1.138 449 W HN 0.447 nan 8.180 nan 0.000 0.515 450 E N 0.708 120.817 120.200 -0.152 0.000 2.445 450 E HA 0.004 4.355 4.350 0.001 0.000 0.189 450 E C 0.601 177.104 176.600 -0.162 0.000 1.069 450 E CA -0.150 56.044 56.400 -0.344 0.000 0.871 450 E CB -0.083 29.437 29.700 -0.301 0.000 0.991 450 E HN -0.045 nan 8.360 nan 0.000 0.481 451 R N 2.341 122.801 120.500 -0.067 0.000 2.539 451 R HA 0.174 4.514 4.340 0.001 0.000 0.275 451 R C -1.689 174.576 176.300 -0.058 0.000 1.077 451 R CA -1.337 54.740 56.100 -0.037 0.000 1.097 451 R CB -0.099 30.205 30.300 0.008 0.000 1.018 451 R HN 0.128 nan 8.270 nan 0.000 0.483 452 P HA 0.000 nan 4.420 nan 0.000 0.216 452 P CA 0.000 63.066 63.100 -0.056 0.000 0.800 452 P CB 0.000 31.669 31.700 -0.052 0.000 0.726