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 3c8d_1_D DATA FIRST_RESID 6 DATA SEQUENCE VGSESWWQSK HGPEWQRLND EMFEVTFWWR DPQGSEEYST IKRVWVYITG DATA SEQUENCE VTDXXXXSQP QSMQRIAGTD VWQWTTQLNA NWRGSYCFIP TERDDIFSAX DATA SEQUENCE XPDRLELREG WRKLLPQAIA DPLNPQSWKG XLGHAVSALE MPQAPLQPGW DATA SEQUENCE DCPQAPEIPA KEIIWKSERL KNSRRVWIFT TXXXXXXERP LAVLLDGEFW DATA SEQUENCE AQSMPVWPVL TSLTHRQQLP PAVYVLIDAI DTTHRAHELP CNADFWLAVQ DATA SEQUENCE QELLPLVKVI APFSDRADRT VVAGQSFGGL SALYAGLHWP ERFGCVLSQS DATA SEQUENCE GSYWWPHRGG QQEGVLLEKL KAGEVSAEGL RIVLEAGIRE PMIMRANQAL DATA SEQUENCE YAQLHPIKES IFWRQVDGGH DALCWRGGLM QGLIDLWQPL F 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 6 V HA 0.000 nan 4.120 nan 0.000 0.244 6 V C 0.000 175.509 176.094 -0.975 0.000 1.182 6 V CA 0.000 61.431 62.300 -1.447 0.000 1.235 6 V CB 0.000 31.230 31.823 -0.988 0.000 1.184 7 G N 3.577 111.766 108.800 -1.018 0.000 2.284 7 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.201 7 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.201 7 G C 0.352 175.268 174.900 0.027 0.000 0.998 7 G CA 0.281 45.175 45.100 -0.343 0.000 0.651 7 G HN 1.605 nan 8.290 nan 0.000 0.489 8 S N 0.455 116.138 115.700 -0.028 0.000 2.585 8 S HA 0.522 4.992 4.470 -0.001 0.000 0.273 8 S C 0.997 175.768 174.600 0.287 0.000 1.339 8 S CA 0.679 58.950 58.200 0.119 0.000 1.028 8 S CB 2.136 65.369 63.200 0.055 0.000 0.906 8 S HN 0.385 nan 8.310 nan 0.000 0.528 9 E N 1.743 122.091 120.200 0.246 0.000 2.204 9 E HA -0.111 4.239 4.350 -0.001 0.000 0.195 9 E C 1.730 178.449 176.600 0.198 0.000 0.990 9 E CA 1.689 58.242 56.400 0.254 0.000 0.821 9 E CB -0.496 29.289 29.700 0.142 0.000 0.750 9 E HN 0.712 nan 8.360 nan 0.000 0.477 10 S N -0.561 115.224 115.700 0.142 0.000 2.371 10 S HA -0.118 4.352 4.470 -0.001 0.000 0.224 10 S C 1.557 176.199 174.600 0.070 0.000 1.029 10 S CA 0.882 59.134 58.200 0.087 0.000 0.978 10 S CB -0.685 62.554 63.200 0.064 0.000 0.833 10 S HN 0.564 nan 8.310 nan 0.000 0.466 11 W N 1.109 122.334 121.300 -0.125 0.000 2.388 11 W HA 0.002 4.661 4.660 -0.001 0.000 0.294 11 W C 1.491 177.810 176.519 -0.334 0.000 1.212 11 W CA 0.711 57.888 57.345 -0.280 0.000 1.271 11 W CB -0.393 28.828 29.460 -0.399 0.000 1.126 11 W HN 0.281 nan 8.180 nan 0.000 0.535 12 W N 0.332 121.638 121.300 0.010 0.000 2.467 12 W HA -0.157 4.502 4.660 -0.001 0.000 0.275 12 W C 2.466 178.831 176.519 -0.256 0.000 1.239 12 W CA 0.574 57.829 57.345 -0.151 0.000 1.266 12 W CB -0.342 29.135 29.460 0.028 0.000 1.112 12 W HN -0.170 nan 8.180 nan 0.000 0.576 13 Q N -0.189 119.627 119.800 0.026 0.000 2.167 13 Q HA -0.137 4.203 4.340 -0.001 0.000 0.202 13 Q C 2.204 178.086 176.000 -0.196 0.000 0.970 13 Q CA 1.818 57.607 55.803 -0.023 0.000 0.855 13 Q CB -1.064 27.693 28.738 0.031 0.000 0.911 13 Q HN 0.374 nan 8.270 nan 0.000 0.438 14 S N -0.283 115.221 115.700 -0.327 0.000 2.555 14 S HA 0.022 4.492 4.470 -0.001 0.000 0.230 14 S C 0.685 174.835 174.600 -0.750 0.000 0.978 14 S CA 0.177 58.127 58.200 -0.417 0.000 0.934 14 S CB 0.177 63.136 63.200 -0.402 0.000 0.766 14 S HN -0.039 nan 8.310 nan 0.000 0.533 15 K N 2.242 122.132 120.400 -0.850 0.000 2.211 15 K HA 0.302 4.621 4.320 -0.001 0.000 0.275 15 K C -0.614 175.569 176.600 -0.694 0.000 1.024 15 K CA -0.316 55.539 56.287 -0.720 0.000 0.887 15 K CB 0.786 32.917 32.500 -0.615 0.000 1.084 15 K HN 0.390 nan 8.250 nan 0.000 0.463 16 H N 0.923 120.017 119.070 0.039 0.000 2.779 16 H HA 0.265 4.820 4.556 -0.001 0.000 0.230 16 H C 0.783 176.219 175.328 0.179 0.000 1.365 16 H CA -0.108 56.002 56.048 0.103 0.000 1.086 16 H CB 0.759 30.553 29.762 0.054 0.000 2.038 16 H HN 0.967 nan 8.280 nan 0.000 0.558 17 G N 1.479 110.477 108.800 0.330 0.000 2.466 17 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.316 17 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.316 17 G C -2.914 172.209 174.900 0.373 0.000 1.270 17 G CA -1.326 44.017 45.100 0.405 0.000 0.982 17 G HN 0.090 nan 8.290 nan 0.000 0.506 18 P HA 0.361 nan 4.420 nan 0.000 0.269 18 P C -0.298 176.988 177.300 -0.022 0.000 1.217 18 P CA 0.346 63.456 63.100 0.018 0.000 0.783 18 P CB 0.485 32.059 31.700 -0.209 0.000 0.898 19 E N 0.416 120.541 120.200 -0.125 0.000 2.317 19 E HA 0.498 4.847 4.350 -0.001 0.000 0.270 19 E C -1.114 175.414 176.600 -0.120 0.000 0.885 19 E CA -0.617 55.606 56.400 -0.296 0.000 0.760 19 E CB 1.531 31.225 29.700 -0.009 0.000 1.227 19 E HN 0.456 nan 8.360 nan 0.000 0.434 20 W N 0.916 122.234 121.300 0.031 0.000 2.975 20 W HA 0.679 5.338 4.660 -0.001 0.000 0.342 20 W C -1.089 175.553 176.519 0.205 0.000 1.168 20 W CA -0.940 56.465 57.345 0.100 0.000 1.141 20 W CB 1.078 30.612 29.460 0.124 0.000 1.445 20 W HN 0.345 nan 8.180 nan 0.000 0.560 21 Q N 1.619 121.716 119.800 0.495 0.000 2.313 21 Q HA 0.303 4.642 4.340 -0.001 0.000 0.260 21 Q C -0.875 175.065 176.000 -0.099 0.000 0.972 21 Q CA -0.730 55.208 55.803 0.224 0.000 0.886 21 Q CB 2.114 30.892 28.738 0.067 0.000 1.373 21 Q HN 0.602 nan 8.270 nan 0.000 0.416 22 R N 3.675 123.810 120.500 -0.609 0.000 2.585 22 R HA 0.093 4.433 4.340 -0.001 0.000 0.275 22 R C -0.206 175.806 176.300 -0.479 0.000 1.018 22 R CA 0.435 55.827 56.100 -1.180 0.000 1.072 22 R CB 0.347 30.043 30.300 -1.006 0.000 0.953 22 R HN 0.891 nan 8.270 nan 0.000 0.419 23 L N 2.687 123.678 121.223 -0.387 0.000 2.286 23 L HA 0.127 4.466 4.340 -0.001 0.000 0.203 23 L C 0.640 177.417 176.870 -0.154 0.000 1.068 23 L CA 0.264 54.990 54.840 -0.191 0.000 0.811 23 L CB -0.147 41.837 42.059 -0.126 0.000 0.989 23 L HN 0.793 nan 8.230 nan 0.000 0.467 24 N N -2.814 115.787 118.700 -0.164 0.000 3.449 24 N HA -0.032 4.707 4.740 -0.001 0.000 0.312 24 N C 0.254 175.711 175.510 -0.089 0.000 1.582 24 N CA -0.329 52.660 53.050 -0.102 0.000 0.850 24 N CB 0.459 38.910 38.487 -0.060 0.000 1.822 24 N HN -0.256 nan 8.380 nan 0.000 0.577 25 D N -0.351 120.025 120.400 -0.041 0.000 2.172 25 D HA -0.184 4.456 4.640 -0.001 0.000 0.196 25 D C 0.666 176.976 176.300 0.016 0.000 0.999 25 D CA 1.763 55.758 54.000 -0.009 0.000 0.856 25 D CB 0.276 41.077 40.800 0.002 0.000 0.934 25 D HN 0.601 nan 8.370 nan 0.000 0.453 26 E N -1.872 118.336 120.200 0.013 0.000 2.465 26 E HA 0.128 4.478 4.350 -0.001 0.000 0.209 26 E C 0.236 176.887 176.600 0.084 0.000 0.951 26 E CA -0.210 56.220 56.400 0.050 0.000 0.997 26 E CB 0.928 30.648 29.700 0.034 0.000 1.025 26 E HN 0.148 nan 8.360 nan 0.000 0.500 27 M N 0.160 119.785 119.600 0.041 0.000 2.518 27 M HA 0.391 4.871 4.480 -0.001 0.000 0.300 27 M C -1.679 174.639 176.300 0.029 0.000 1.175 27 M CA -0.539 54.804 55.300 0.072 0.000 0.890 27 M CB 1.859 34.462 32.600 0.005 0.000 1.710 27 M HN -0.231 nan 8.290 nan 0.000 0.453 28 F N 0.861 120.794 119.950 -0.029 0.000 2.492 28 F HA 0.503 5.030 4.527 -0.001 0.000 0.327 28 F C 0.089 175.868 175.800 -0.035 0.000 1.079 28 F CA -0.639 57.358 58.000 -0.005 0.000 0.967 28 F CB 1.547 40.551 39.000 0.007 0.000 1.169 28 F HN 0.480 nan 8.300 nan 0.000 0.472 29 E N 1.886 122.156 120.200 0.117 0.000 2.200 29 E HA 0.555 4.904 4.350 -0.001 0.000 0.283 29 E C -1.642 175.001 176.600 0.073 0.000 1.015 29 E CA -0.404 56.012 56.400 0.027 0.000 0.819 29 E CB 1.059 30.747 29.700 -0.021 0.000 1.081 29 E HN 0.413 nan 8.360 nan 0.000 0.397 30 V N 3.926 123.806 119.914 -0.057 0.000 2.540 30 V HA 0.350 4.470 4.120 -0.001 0.000 0.302 30 V C -0.206 175.689 176.094 -0.331 0.000 1.035 30 V CA -0.806 61.416 62.300 -0.129 0.000 0.873 30 V CB 1.960 33.676 31.823 -0.178 0.000 0.992 30 V HN 0.716 nan 8.190 nan 0.000 0.428 31 T N 5.109 119.392 114.554 -0.453 0.000 2.823 31 T HA 0.715 5.064 4.350 -0.001 0.000 0.279 31 T C -0.765 173.406 174.700 -0.881 0.000 0.998 31 T CA -0.107 61.594 62.100 -0.666 0.000 0.994 31 T CB 0.834 69.188 68.868 -0.857 0.000 0.960 31 T HN 0.303 nan 8.240 nan 0.000 0.448 32 F N 1.670 121.330 119.950 -0.484 0.000 2.458 32 F HA 0.650 5.177 4.527 -0.001 0.000 0.330 32 F C -0.219 175.426 175.800 -0.259 0.000 1.082 32 F CA -0.951 56.958 58.000 -0.152 0.000 0.995 32 F CB 1.464 40.567 39.000 0.171 0.000 1.170 32 F HN 0.349 nan 8.300 nan 0.000 0.478 33 W N 1.827 123.448 121.300 0.536 0.000 2.915 33 W HA 0.273 4.933 4.660 -0.001 0.000 0.337 33 W C -1.730 175.175 176.519 0.644 0.000 1.102 33 W CA -1.432 56.238 57.345 0.541 0.000 1.224 33 W CB 1.969 31.717 29.460 0.480 0.000 1.416 33 W HN 0.590 nan 8.180 nan 0.000 0.503 34 W N 4.522 126.210 121.300 0.647 0.000 2.830 34 W HA 0.479 5.138 4.660 -0.001 0.000 0.335 34 W C -0.639 176.151 176.519 0.451 0.000 1.043 34 W CA -1.136 56.447 57.345 0.398 0.000 1.239 34 W CB 1.049 30.491 29.460 -0.030 0.000 1.378 34 W HN 0.303 nan 8.180 nan 0.000 0.456 35 R N 4.682 124.811 120.500 -0.618 0.000 2.242 35 R HA 0.092 4.432 4.340 -0.001 0.000 0.334 35 R C -0.186 175.378 176.300 -1.227 0.000 1.071 35 R CA -0.193 55.284 56.100 -1.039 0.000 0.922 35 R CB 0.360 29.558 30.300 -1.837 0.000 1.023 35 R HN 0.393 nan 8.270 nan 0.000 0.458 36 D N 6.159 126.115 120.400 -0.739 0.000 2.358 36 D HA 0.056 4.696 4.640 -0.001 0.000 0.258 36 D C -1.668 174.390 176.300 -0.403 0.000 1.223 36 D CA -2.229 51.336 54.000 -0.725 0.000 0.886 36 D CB 1.644 42.523 40.800 0.130 0.000 1.120 36 D HN 0.359 nan 8.370 nan 0.000 0.482 37 P HA -0.181 nan 4.420 nan 0.000 0.214 37 P C 1.054 178.311 177.300 -0.072 0.000 1.163 37 P CA 1.466 64.453 63.100 -0.188 0.000 0.889 37 P CB -0.021 31.620 31.700 -0.097 0.000 0.790 38 Q N -0.609 119.194 119.800 0.005 0.000 2.561 38 Q HA 0.085 4.424 4.340 -0.001 0.000 0.217 38 Q C 1.165 177.237 176.000 0.119 0.000 0.980 38 Q CA 0.963 56.806 55.803 0.068 0.000 0.927 38 Q CB -0.771 28.038 28.738 0.118 0.000 0.980 38 Q HN 0.223 nan 8.270 nan 0.000 0.525 39 G N 1.028 109.878 108.800 0.084 0.000 2.496 39 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.243 39 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.243 39 G C -0.219 174.772 174.900 0.152 0.000 1.176 39 G CA -0.115 45.054 45.100 0.116 0.000 0.940 39 G HN 0.357 nan 8.290 nan 0.000 0.573 40 S N 1.476 117.271 115.700 0.158 0.000 2.617 40 S HA 0.352 4.821 4.470 -0.001 0.000 0.255 40 S C 1.689 176.327 174.600 0.063 0.000 1.318 40 S CA 0.690 58.934 58.200 0.074 0.000 0.978 40 S CB 0.840 64.055 63.200 0.024 0.000 0.961 40 S HN 0.857 nan 8.310 nan 0.000 0.582 41 E N 1.092 121.292 120.200 -0.001 0.000 2.472 41 E HA -0.151 4.199 4.350 -0.001 0.000 0.200 41 E C 0.559 177.127 176.600 -0.054 0.000 1.046 41 E CA 0.860 57.264 56.400 0.007 0.000 0.871 41 E CB -0.254 29.428 29.700 -0.030 0.000 0.806 41 E HN 0.684 nan 8.360 nan 0.000 0.533 42 E N -0.476 119.621 120.200 -0.172 0.000 2.447 42 E HA -0.000 4.349 4.350 -0.001 0.000 0.195 42 E C 0.475 176.766 176.600 -0.514 0.000 1.028 42 E CA 0.325 56.496 56.400 -0.383 0.000 0.876 42 E CB 0.012 29.367 29.700 -0.575 0.000 0.885 42 E HN 0.376 nan 8.360 nan 0.000 0.500 43 Y N 0.015 120.338 120.300 0.039 0.000 2.425 43 Y HA 0.202 4.751 4.550 -0.000 0.000 0.261 43 Y C 1.059 176.992 175.900 0.055 0.000 1.084 43 Y CA -0.450 57.672 58.100 0.038 0.000 1.248 43 Y CB 0.732 39.209 38.460 0.029 0.000 1.270 43 Y HN -0.177 nan 8.280 nan 0.000 0.524 44 S N 0.546 116.363 115.700 0.193 0.000 2.586 44 S HA 0.239 4.708 4.470 -0.001 0.000 0.274 44 S C 1.163 175.855 174.600 0.153 0.000 1.281 44 S CA 0.172 58.486 58.200 0.190 0.000 1.035 44 S CB 0.769 64.117 63.200 0.245 0.000 0.962 44 S HN 0.392 nan 8.310 nan 0.000 0.512 45 T N 1.865 116.503 114.554 0.140 0.000 3.145 45 T HA 0.352 4.701 4.350 -0.001 0.000 0.255 45 T C 0.232 174.994 174.700 0.102 0.000 1.039 45 T CA -0.323 61.839 62.100 0.104 0.000 0.928 45 T CB -0.332 68.582 68.868 0.077 0.000 1.029 45 T HN 0.416 nan 8.240 nan 0.000 0.554 46 I N 2.098 122.762 120.570 0.156 0.000 2.304 46 I HA 0.485 4.654 4.170 -0.001 0.000 0.291 46 I C 0.664 176.888 176.117 0.178 0.000 1.018 46 I CA -0.596 60.768 61.300 0.106 0.000 1.260 46 I CB 1.656 39.720 38.000 0.107 0.000 1.390 46 I HN 0.042 nan 8.210 nan 0.000 0.475 47 K N 4.642 125.076 120.400 0.056 0.000 2.313 47 K HA 0.250 4.570 4.320 -0.001 0.000 0.197 47 K C 0.349 176.972 176.600 0.039 0.000 1.061 47 K CA 0.691 57.052 56.287 0.123 0.000 0.980 47 K CB 0.495 33.032 32.500 0.060 0.000 0.888 47 K HN 0.343 nan 8.250 nan 0.000 0.502 48 R N -0.086 120.260 120.500 -0.257 0.000 2.795 48 R HA 0.525 4.864 4.340 -0.001 0.000 0.275 48 R C -1.199 174.588 176.300 -0.855 0.000 0.981 48 R CA -0.866 54.895 56.100 -0.566 0.000 0.917 48 R CB 2.151 32.027 30.300 -0.707 0.000 1.202 48 R HN -0.267 nan 8.270 nan 0.000 0.469 49 V N 2.014 121.346 119.914 -0.970 0.000 2.445 49 V HA 0.303 4.422 4.120 -0.001 0.000 0.283 49 V C -0.998 174.686 176.094 -0.684 0.000 1.014 49 V CA -1.025 60.747 62.300 -0.880 0.000 0.852 49 V CB 1.125 32.321 31.823 -1.045 0.000 1.021 49 V HN 0.610 nan 8.190 nan 0.000 0.435 50 W N 3.291 124.449 121.300 -0.237 0.000 2.272 50 W HA 0.564 5.223 4.660 -0.001 0.000 0.318 50 W C -0.005 176.445 176.519 -0.115 0.000 1.255 50 W CA -0.624 56.656 57.345 -0.107 0.000 1.200 50 W CB 1.080 30.647 29.460 0.178 0.000 1.170 50 W HN 0.312 nan 8.180 nan 0.000 0.549 51 V N 4.554 124.446 119.914 -0.037 0.000 2.318 51 V HA 0.077 4.197 4.120 -0.001 0.000 0.271 51 V C -0.962 175.096 176.094 -0.060 0.000 1.030 51 V CA -0.986 61.258 62.300 -0.093 0.000 0.844 51 V CB -0.095 31.445 31.823 -0.472 0.000 1.015 51 V HN 0.378 nan 8.190 nan 0.000 0.460 52 Y N 6.433 126.656 120.300 -0.128 0.000 2.504 52 Y HA 0.598 5.148 4.550 -0.001 0.000 0.339 52 Y C -0.072 175.731 175.900 -0.163 0.000 0.974 52 Y CA -0.785 57.126 58.100 -0.315 0.000 1.232 52 Y CB 0.765 38.946 38.460 -0.465 0.000 1.108 52 Y HN 0.558 nan 8.280 nan 0.000 0.509 53 I N 5.953 126.307 120.570 -0.360 0.000 2.312 53 I HA 0.171 4.340 4.170 -0.001 0.000 0.290 53 I C 0.290 176.246 176.117 -0.269 0.000 1.008 53 I CA -0.697 60.524 61.300 -0.132 0.000 1.226 53 I CB 1.305 39.290 38.000 -0.025 0.000 1.371 53 I HN 0.522 nan 8.210 nan 0.000 0.468 54 T N 5.306 119.777 114.554 -0.138 0.000 2.866 54 T HA 0.100 4.450 4.350 -0.001 0.000 0.293 54 T C 1.264 175.949 174.700 -0.025 0.000 1.005 54 T CA 1.156 63.164 62.100 -0.153 0.000 1.162 54 T CB 0.471 69.293 68.868 -0.076 0.000 0.968 54 T HN 1.101 nan 8.240 nan 0.000 0.530 55 G N 2.160 110.902 108.800 -0.096 0.000 2.184 55 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.264 55 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.264 55 G C 0.746 175.652 174.900 0.009 0.000 0.975 55 G CA 0.410 45.506 45.100 -0.007 0.000 0.642 55 G HN 0.641 nan 8.290 nan 0.000 0.536 56 V N -0.415 119.462 119.914 -0.062 0.000 2.950 56 V HA 0.216 4.336 4.120 -0.001 0.000 0.231 56 V C 1.571 177.581 176.094 -0.139 0.000 1.205 56 V CA 1.764 64.011 62.300 -0.089 0.000 1.239 56 V CB 0.436 32.181 31.823 -0.130 0.000 1.050 56 V HN 0.272 nan 8.190 nan 0.000 0.498 57 T N 2.753 117.155 114.554 -0.254 0.000 3.176 57 T HA 0.433 4.783 4.350 -0.001 0.000 0.301 57 T C -0.662 173.845 174.700 -0.323 0.000 1.115 57 T CA 0.333 62.272 62.100 -0.269 0.000 1.027 57 T CB -0.425 68.218 68.868 -0.374 0.000 1.063 57 T HN 0.385 nan 8.240 nan 0.000 0.669 64 Q N 1.176 120.961 119.800 -0.024 0.000 2.333 64 Q HA 0.698 5.038 4.340 -0.001 0.000 0.265 64 Q C -2.944 173.017 176.000 -0.064 0.000 0.989 64 Q CA -1.696 54.069 55.803 -0.063 0.000 0.842 64 Q CB 1.462 30.190 28.738 -0.017 0.000 1.262 64 Q HN 0.515 nan 8.270 nan 0.000 0.451 65 P HA 0.036 nan 4.420 nan 0.000 0.264 65 P C -1.126 176.240 177.300 0.111 0.000 1.193 65 P CA 0.190 63.185 63.100 -0.175 0.000 0.763 65 P CB 0.595 31.605 31.700 -1.150 0.000 0.810 66 Q N 1.232 121.118 119.800 0.144 0.000 2.333 66 Q HA 0.487 4.827 4.340 -0.001 0.000 0.267 66 Q C -0.498 175.322 176.000 -0.299 0.000 1.012 66 Q CA -0.427 55.286 55.803 -0.149 0.000 0.824 66 Q CB 2.606 30.999 28.738 -0.576 0.000 1.290 66 Q HN 0.313 nan 8.270 nan 0.000 0.449 67 S N 2.453 117.879 115.700 -0.457 0.000 2.503 67 S HA 0.587 5.056 4.470 -0.001 0.000 0.301 67 S C 0.014 174.351 174.600 -0.439 0.000 1.087 67 S CA -0.588 57.200 58.200 -0.686 0.000 1.042 67 S CB 0.769 63.347 63.200 -1.037 0.000 1.043 67 S HN 0.538 nan 8.310 nan 0.000 0.489 68 M N 3.520 122.943 119.600 -0.296 0.000 2.250 68 M HA 0.200 4.680 4.480 -0.001 0.000 0.325 68 M C -0.027 176.448 176.300 0.291 0.000 1.084 68 M CA 0.129 55.493 55.300 0.106 0.000 1.161 68 M CB 0.281 33.007 32.600 0.210 0.000 1.481 68 M HN 0.579 nan 8.290 nan 0.000 0.449 69 Q N 1.791 121.764 119.800 0.288 0.000 2.342 69 Q HA 0.417 4.756 4.340 -0.001 0.000 0.267 69 Q C -0.757 175.174 176.000 -0.114 0.000 1.038 69 Q CA -0.540 55.331 55.803 0.113 0.000 0.832 69 Q CB 2.326 31.101 28.738 0.061 0.000 1.323 69 Q HN 0.580 nan 8.270 nan 0.000 0.448 70 R N 2.566 122.686 120.500 -0.634 0.000 2.357 70 R HA 0.343 4.683 4.340 -0.001 0.000 0.296 70 R C -0.345 175.705 176.300 -0.416 0.000 1.052 70 R CA -0.388 55.162 56.100 -0.916 0.000 0.988 70 R CB 0.417 29.821 30.300 -1.493 0.000 1.025 70 R HN 0.598 nan 8.270 nan 0.000 0.469 71 I N 4.402 124.791 120.570 -0.302 0.000 2.329 71 I HA 0.117 4.286 4.170 -0.001 0.000 0.295 71 I C 0.714 176.704 176.117 -0.212 0.000 1.109 71 I CA -0.237 60.942 61.300 -0.202 0.000 1.297 71 I CB 0.972 38.870 38.000 -0.170 0.000 1.433 71 I HN 0.608 nan 8.210 nan 0.000 0.509 72 A N 5.163 127.873 122.820 -0.184 0.000 2.548 72 A HA 0.414 4.733 4.320 -0.001 0.000 0.247 72 A C 1.379 178.887 177.584 -0.126 0.000 1.067 72 A CA 0.732 52.673 52.037 -0.160 0.000 0.757 72 A CB -0.260 18.665 19.000 -0.125 0.000 0.996 72 A HN 1.197 nan 8.150 nan 0.000 0.504 73 G N 1.565 110.299 108.800 -0.111 0.000 2.213 73 G HA2 -0.126 3.834 3.960 -0.001 0.000 0.226 73 G HA3 -0.126 3.834 3.960 -0.001 0.000 0.226 73 G C 0.551 175.413 174.900 -0.065 0.000 0.992 73 G CA 0.912 45.964 45.100 -0.079 0.000 0.632 73 G HN 2.207 nan 8.290 nan 0.000 0.511 74 T N -1.277 113.224 114.554 -0.089 0.000 2.942 74 T HA 0.555 4.904 4.350 -0.001 0.000 0.289 74 T C 0.404 175.096 174.700 -0.014 0.000 1.044 74 T CA 0.427 62.495 62.100 -0.053 0.000 1.023 74 T CB 1.986 70.785 68.868 -0.115 0.000 1.123 74 T HN 0.269 nan 8.240 nan 0.000 0.512 75 D N 0.518 120.976 120.400 0.097 0.000 2.413 75 D HA 0.119 4.758 4.640 -0.001 0.000 0.237 75 D C -0.016 176.467 176.300 0.306 0.000 1.171 75 D CA -0.358 53.732 54.000 0.149 0.000 0.839 75 D CB -0.585 40.274 40.800 0.099 0.000 0.950 75 D HN 0.315 nan 8.370 nan 0.000 0.499 76 V N 1.098 121.160 119.914 0.246 0.000 2.364 76 V HA 0.294 4.413 4.120 -0.001 0.000 0.272 76 V C -0.570 175.653 176.094 0.215 0.000 1.036 76 V CA -0.802 61.751 62.300 0.421 0.000 0.880 76 V CB 0.347 32.227 31.823 0.095 0.000 0.991 76 V HN 0.082 nan 8.190 nan 0.000 0.460 77 W N 3.970 125.539 121.300 0.448 0.000 2.551 77 W HA 0.730 5.389 4.660 -0.001 0.000 0.330 77 W C 0.128 176.907 176.519 0.434 0.000 1.063 77 W CA -0.410 57.159 57.345 0.373 0.000 1.222 77 W CB 1.357 31.062 29.460 0.408 0.000 1.349 77 W HN 0.640 nan 8.180 nan 0.000 0.536 78 Q N 1.501 121.602 119.800 0.503 0.000 2.511 78 Q HA 0.677 5.017 4.340 -0.001 0.000 0.289 78 Q C -2.047 174.143 176.000 0.316 0.000 1.021 78 Q CA -0.998 55.011 55.803 0.343 0.000 0.785 78 Q CB 2.845 31.762 28.738 0.300 0.000 1.472 78 Q HN 0.552 nan 8.270 nan 0.000 0.411 79 W N 0.902 122.191 121.300 -0.017 0.000 3.479 79 W HA 0.614 5.274 4.660 -0.001 0.000 0.304 79 W C -1.944 174.588 176.519 0.022 0.000 1.243 79 W CA -0.097 57.256 57.345 0.013 0.000 1.202 79 W CB 2.285 31.747 29.460 0.005 0.000 1.346 79 W HN 0.738 nan 8.180 nan 0.000 0.539 80 T N 3.925 118.076 114.554 -0.671 0.000 2.861 80 T HA 0.659 5.008 4.350 -0.001 0.000 0.287 80 T C -0.764 173.344 174.700 -0.987 0.000 1.003 80 T CA -0.333 61.383 62.100 -0.640 0.000 0.977 80 T CB 2.011 70.676 68.868 -0.338 0.000 0.996 80 T HN 0.426 nan 8.240 nan 0.000 0.448 81 T N 1.685 115.783 114.554 -0.761 0.000 2.618 81 T HA 0.617 4.967 4.350 -0.001 0.000 0.286 81 T C -1.757 172.756 174.700 -0.313 0.000 1.027 81 T CA -0.600 61.116 62.100 -0.640 0.000 1.063 81 T CB 1.597 69.935 68.868 -0.883 0.000 1.440 81 T HN 0.474 nan 8.240 nan 0.000 0.505 82 Q N 0.648 120.311 119.800 -0.228 0.000 2.347 82 Q HA 0.786 5.126 4.340 -0.001 0.000 0.271 82 Q C -1.325 174.579 176.000 -0.160 0.000 1.064 82 Q CA -0.373 55.347 55.803 -0.138 0.000 0.800 82 Q CB 2.389 31.069 28.738 -0.097 0.000 1.304 82 Q HN 0.491 nan 8.270 nan 0.000 0.438 83 L N 1.391 122.540 121.223 -0.124 0.000 2.388 83 L HA 0.514 4.853 4.340 -0.001 0.000 0.264 83 L C -0.452 176.397 176.870 -0.035 0.000 0.998 83 L CA -1.106 53.606 54.840 -0.213 0.000 0.817 83 L CB 2.264 44.099 42.059 -0.373 0.000 1.338 83 L HN 0.612 nan 8.230 nan 0.000 0.414 84 N N 0.410 119.101 118.700 -0.015 0.000 2.353 84 N HA 0.024 4.764 4.740 -0.001 0.000 0.248 84 N C 0.904 176.496 175.510 0.138 0.000 1.240 84 N CA 0.595 53.704 53.050 0.097 0.000 0.862 84 N CB 1.133 39.696 38.487 0.127 0.000 1.086 84 N HN 0.776 nan 8.380 nan 0.000 0.453 85 A N 2.282 125.220 122.820 0.197 0.000 2.070 85 A HA -0.190 4.129 4.320 -0.001 0.000 0.220 85 A C 1.347 178.927 177.584 -0.008 0.000 1.159 85 A CA 1.466 53.603 52.037 0.166 0.000 0.656 85 A CB -0.434 18.804 19.000 0.397 0.000 0.800 85 A HN 0.867 nan 8.150 nan 0.000 0.453 86 N N -2.234 116.498 118.700 0.053 0.000 2.235 86 N HA 0.039 4.778 4.740 -0.001 0.000 0.209 86 N C -0.192 175.334 175.510 0.026 0.000 1.122 86 N CA -0.537 52.523 53.050 0.016 0.000 0.845 86 N CB -0.530 37.976 38.487 0.030 0.000 1.004 86 N HN 0.584 nan 8.380 nan 0.000 0.499 87 W N 1.960 123.179 121.300 -0.136 0.000 2.261 87 W HA 0.430 5.090 4.660 -0.000 0.000 0.323 87 W C 0.136 176.561 176.519 -0.157 0.000 1.243 87 W CA -0.680 56.590 57.345 -0.125 0.000 1.210 87 W CB 0.718 30.116 29.460 -0.104 0.000 1.149 87 W HN -0.025 nan 8.180 nan 0.000 0.562 88 R N 4.286 124.139 120.500 -1.078 0.000 2.651 88 R HA 0.714 5.054 4.340 -0.001 0.000 0.278 88 R C -0.928 174.388 176.300 -1.640 0.000 1.010 88 R CA -0.429 55.011 56.100 -1.100 0.000 0.896 88 R CB 1.498 31.461 30.300 -0.561 0.000 1.211 88 R HN 0.789 nan 8.270 nan 0.000 0.456 89 G N 0.957 108.971 108.800 -1.310 0.000 2.368 89 G HA2 0.275 4.235 3.960 -0.001 0.000 0.293 89 G HA3 0.275 4.235 3.960 -0.001 0.000 0.293 89 G C -1.589 173.225 174.900 -0.143 0.000 1.467 89 G CA -0.695 43.943 45.100 -0.770 0.000 0.804 89 G HN 0.507 nan 8.290 nan 0.000 0.535 90 S N -0.873 114.843 115.700 0.026 0.000 2.672 90 S HA 0.877 5.347 4.470 -0.001 0.000 0.276 90 S C -0.784 173.943 174.600 0.212 0.000 1.207 90 S CA -0.312 57.947 58.200 0.098 0.000 1.002 90 S CB 1.065 64.271 63.200 0.010 0.000 0.998 90 S HN 1.116 nan 8.310 nan 0.000 0.542 91 Y N -1.933 118.362 120.300 -0.008 0.000 2.670 91 Y HA 0.775 5.325 4.550 -0.001 0.000 0.334 91 Y C -0.702 175.103 175.900 -0.158 0.000 1.185 91 Y CA -1.733 56.352 58.100 -0.024 0.000 1.053 91 Y CB 0.272 38.779 38.460 0.080 0.000 1.298 91 Y HN 0.897 nan 8.280 nan 0.000 0.459 92 C N -0.373 118.889 119.300 -0.063 0.000 3.291 92 C HA 0.831 5.290 4.460 -0.001 0.000 0.316 92 C C -1.272 173.678 174.990 -0.067 0.000 1.391 92 C CA -1.322 57.526 59.018 -0.284 0.000 1.394 92 C CB 1.090 28.657 27.740 -0.289 0.000 1.744 92 C HN 0.888 nan 8.230 nan 0.000 0.461 93 F N 0.593 120.492 119.950 -0.085 0.000 2.458 93 F HA 0.712 5.238 4.527 -0.001 0.000 0.330 93 F C 0.312 175.957 175.800 -0.258 0.000 1.082 93 F CA -1.077 56.815 58.000 -0.180 0.000 0.995 93 F CB 1.493 40.303 39.000 -0.316 0.000 1.170 93 F HN 0.390 nan 8.300 nan 0.000 0.478 94 I N 3.689 124.247 120.570 -0.021 0.000 2.668 94 I HA 0.247 4.417 4.170 -0.001 0.000 0.276 94 I C -2.745 173.244 176.117 -0.214 0.000 1.139 94 I CA -2.021 59.239 61.300 -0.066 0.000 1.133 94 I CB 0.886 38.966 38.000 0.134 0.000 1.327 94 I HN 0.146 nan 8.210 nan 0.000 0.520 95 P HA 0.178 nan 4.420 nan 0.000 0.276 95 P C -0.226 176.901 177.300 -0.290 0.000 1.243 95 P CA 0.195 62.915 63.100 -0.633 0.000 0.768 95 P CB 1.163 32.327 31.700 -0.892 0.000 0.856 96 T N 0.989 115.398 114.554 -0.242 0.000 2.894 96 T HA 0.188 4.538 4.350 -0.001 0.000 0.309 96 T C 0.719 175.376 174.700 -0.071 0.000 1.208 96 T CA -0.598 61.443 62.100 -0.099 0.000 1.016 96 T CB 1.026 69.887 68.868 -0.012 0.000 1.192 96 T HN 0.356 nan 8.240 nan 0.000 0.491 97 E N 2.506 122.691 120.200 -0.025 0.000 2.502 97 E HA 0.039 4.389 4.350 -0.001 0.000 0.194 97 E C 0.142 176.744 176.600 0.003 0.000 1.062 97 E CA 0.069 56.470 56.400 0.001 0.000 0.867 97 E CB 0.150 29.857 29.700 0.012 0.000 0.888 97 E HN 0.434 nan 8.360 nan 0.000 0.510 98 R N 2.145 122.645 120.500 0.000 0.000 2.202 98 R HA 0.093 4.433 4.340 -0.001 0.000 0.334 98 R C -0.082 176.243 176.300 0.042 0.000 1.036 98 R CA 0.029 56.131 56.100 0.004 0.000 0.878 98 R CB 0.563 30.847 30.300 -0.027 0.000 1.067 98 R HN 0.097 nan 8.270 nan 0.000 0.457 99 D N 1.386 121.807 120.400 0.035 0.000 2.431 99 D HA -0.084 4.555 4.640 -0.001 0.000 0.213 99 D C 0.467 176.800 176.300 0.055 0.000 1.130 99 D CA -0.009 54.030 54.000 0.066 0.000 0.834 99 D CB 0.271 41.101 40.800 0.050 0.000 0.985 99 D HN 0.492 nan 8.370 nan 0.000 0.504 100 D N 0.852 121.255 120.400 0.006 0.000 2.240 100 D HA -0.053 4.587 4.640 -0.001 0.000 0.206 100 D C 1.010 177.266 176.300 -0.074 0.000 0.963 100 D CA -0.085 53.899 54.000 -0.025 0.000 0.863 100 D CB -0.029 40.742 40.800 -0.048 0.000 0.973 100 D HN 0.260 nan 8.370 nan 0.000 0.501 101 I N 1.130 121.609 120.570 -0.152 0.000 2.598 101 I HA -0.035 4.135 4.170 -0.001 0.000 0.284 101 I C -0.043 175.894 176.117 -0.300 0.000 1.140 101 I CA -0.295 60.758 61.300 -0.413 0.000 1.420 101 I CB -0.209 37.398 38.000 -0.656 0.000 1.387 101 I HN -0.180 nan 8.210 nan 0.000 0.553 102 F N 3.498 123.310 119.950 -0.230 0.000 3.040 102 F HA -0.227 4.299 4.527 -0.001 0.000 0.298 102 F C 1.456 177.264 175.800 0.013 0.000 0.948 102 F CA 0.493 58.371 58.000 -0.203 0.000 1.022 102 F CB -2.593 36.103 39.000 -0.507 0.000 1.023 102 F HN 0.504 nan 8.300 nan 0.000 0.742 103 S N -1.567 114.219 115.700 0.144 0.000 2.558 103 S HA 0.522 4.992 4.470 -0.001 0.000 0.217 103 S C 1.229 175.883 174.600 0.089 0.000 0.975 103 S CA 0.492 58.761 58.200 0.114 0.000 0.912 103 S CB 0.297 63.533 63.200 0.060 0.000 0.776 103 S HN 0.673 nan 8.310 nan 0.000 0.526 108 D N -0.123 120.273 120.400 -0.006 0.000 2.294 108 D HA 0.251 4.890 4.640 -0.001 0.000 0.250 108 D C 1.283 177.591 176.300 0.012 0.000 1.058 108 D CA -0.756 53.244 54.000 0.001 0.000 0.950 108 D CB 1.458 42.258 40.800 0.001 0.000 1.158 108 D HN 0.020 nan 8.370 nan 0.000 0.453 109 R N 0.913 121.421 120.500 0.014 0.000 2.154 109 R HA -0.169 4.170 4.340 -0.001 0.000 0.248 109 R C 1.451 177.767 176.300 0.028 0.000 1.155 109 R CA 1.305 57.420 56.100 0.025 0.000 0.979 109 R CB -0.329 29.981 30.300 0.016 0.000 0.869 109 R HN 0.676 nan 8.270 nan 0.000 0.452 110 L N 0.472 121.703 121.223 0.013 0.000 2.023 110 L HA -0.139 4.201 4.340 -0.001 0.000 0.205 110 L C 2.512 179.383 176.870 0.003 0.000 1.073 110 L CA 1.831 56.674 54.840 0.005 0.000 0.745 110 L CB -0.583 41.472 42.059 -0.006 0.000 0.900 110 L HN 0.382 nan 8.230 nan 0.000 0.435 111 E N 0.253 120.454 120.200 0.001 0.000 2.481 111 E HA -0.092 4.257 4.350 -0.001 0.000 0.195 111 E C 2.069 178.684 176.600 0.024 0.000 1.047 111 E CA 0.351 56.740 56.400 -0.017 0.000 0.867 111 E CB 0.005 29.692 29.700 -0.020 0.000 0.858 111 E HN 0.493 nan 8.360 nan 0.000 0.513 112 L N 0.904 122.172 121.223 0.076 0.000 2.068 112 L HA -0.021 4.318 4.340 -0.001 0.000 0.204 112 L C 2.972 179.945 176.870 0.172 0.000 1.076 112 L CA 1.377 56.299 54.840 0.136 0.000 0.753 112 L CB -0.397 41.734 42.059 0.120 0.000 0.910 112 L HN 0.167 nan 8.230 nan 0.000 0.439 113 R N 0.625 121.213 120.500 0.146 0.000 2.081 113 R HA -0.238 4.102 4.340 -0.001 0.000 0.235 113 R C 2.079 178.412 176.300 0.054 0.000 1.131 113 R CA 1.847 58.031 56.100 0.141 0.000 0.960 113 R CB -0.215 30.131 30.300 0.077 0.000 0.856 113 R HN 0.189 nan 8.270 nan 0.000 0.436 114 E N 0.134 120.322 120.200 -0.020 0.000 2.072 114 E HA -0.062 4.288 4.350 -0.001 0.000 0.191 114 E C 1.891 178.374 176.600 -0.195 0.000 0.985 114 E CA 1.852 58.198 56.400 -0.089 0.000 0.801 114 E CB -0.646 28.994 29.700 -0.100 0.000 0.750 114 E HN 0.481 nan 8.360 nan 0.000 0.452 115 G N 0.023 108.633 108.800 -0.317 0.000 2.480 115 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.216 115 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.216 115 G C 1.317 175.859 174.900 -0.597 0.000 1.200 115 G CA 0.976 45.615 45.100 -0.769 0.000 0.782 115 G HN 0.430 nan 8.290 nan 0.000 0.554 116 W N 0.320 121.550 121.300 -0.116 0.000 2.402 116 W HA 0.115 4.775 4.660 -0.000 0.000 0.286 116 W C 2.780 179.183 176.519 -0.193 0.000 1.221 116 W CA 0.496 57.746 57.345 -0.158 0.000 1.257 116 W CB -0.058 29.358 29.460 -0.075 0.000 1.120 116 W HN 0.059 nan 8.180 nan 0.000 0.551 117 R N 1.456 121.984 120.500 0.046 0.000 2.105 117 R HA -0.185 4.155 4.340 -0.001 0.000 0.239 117 R C 1.662 177.924 176.300 -0.063 0.000 1.135 117 R CA 1.624 57.718 56.100 -0.011 0.000 0.967 117 R CB -0.191 30.096 30.300 -0.022 0.000 0.861 117 R HN 0.168 nan 8.270 nan 0.000 0.442 118 K N -0.271 120.053 120.400 -0.127 0.000 2.167 118 K HA -0.003 4.317 4.320 -0.001 0.000 0.203 118 K C 1.998 178.511 176.600 -0.145 0.000 1.052 118 K CA 0.798 56.996 56.287 -0.148 0.000 0.956 118 K CB 0.158 32.532 32.500 -0.210 0.000 0.735 118 K HN 0.181 nan 8.250 nan 0.000 0.451 119 L N 0.218 121.342 121.223 -0.165 0.000 2.221 119 L HA 0.015 4.355 4.340 -0.001 0.000 0.202 119 L C 1.999 178.818 176.870 -0.085 0.000 1.074 119 L CA 0.382 55.144 54.840 -0.130 0.000 0.795 119 L CB -0.220 41.723 42.059 -0.193 0.000 0.960 119 L HN 0.083 nan 8.230 nan 0.000 0.458 120 L N 0.229 121.397 121.223 -0.091 0.000 2.137 120 L HA -0.209 4.131 4.340 -0.001 0.000 0.213 120 L C -0.365 176.432 176.870 -0.122 0.000 1.085 120 L CA 1.336 56.062 54.840 -0.191 0.000 0.760 120 L CB -1.742 40.201 42.059 -0.193 0.000 0.893 120 L HN 0.212 nan 8.230 nan 0.000 0.434 121 P HA -0.224 nan 4.420 nan 0.000 0.217 121 P C 0.957 178.228 177.300 -0.048 0.000 1.151 121 P CA 1.494 64.571 63.100 -0.038 0.000 0.849 121 P CB -0.023 31.653 31.700 -0.041 0.000 0.787 122 Q N -1.525 118.232 119.800 -0.073 0.000 2.246 122 Q HA 0.341 4.680 4.340 -0.001 0.000 0.202 122 Q C 0.433 176.365 176.000 -0.114 0.000 0.883 122 Q CA -0.470 55.289 55.803 -0.073 0.000 0.952 122 Q CB 0.224 28.924 28.738 -0.065 0.000 1.078 122 Q HN 0.110 nan 8.270 nan 0.000 0.493 123 A N 1.980 124.690 122.820 -0.184 0.000 2.511 123 A HA 0.421 4.740 4.320 -0.001 0.000 0.242 123 A C 0.181 177.644 177.584 -0.201 0.000 1.069 123 A CA -0.157 51.706 52.037 -0.290 0.000 0.763 123 A CB -0.110 18.479 19.000 -0.685 0.000 1.001 123 A HN 0.500 nan 8.150 nan 0.000 0.498 124 I N -1.272 119.192 120.570 -0.177 0.000 3.042 124 I HA 0.838 5.008 4.170 -0.001 0.000 0.310 124 I C 0.233 176.229 176.117 -0.202 0.000 1.117 124 I CA -1.223 60.005 61.300 -0.120 0.000 1.003 124 I CB 1.993 39.975 38.000 -0.029 0.000 1.228 124 I HN 0.686 nan 8.210 nan 0.000 0.443 125 A N 1.828 124.529 122.820 -0.198 0.000 2.346 125 A HA 0.197 4.517 4.320 -0.001 0.000 0.252 125 A C -0.223 177.206 177.584 -0.259 0.000 1.089 125 A CA -0.103 51.743 52.037 -0.319 0.000 0.797 125 A CB 0.126 18.961 19.000 -0.274 0.000 1.047 125 A HN 0.843 nan 8.150 nan 0.000 0.494 126 D N 0.848 121.022 120.400 -0.377 0.000 2.346 126 D HA 0.218 4.857 4.640 -0.001 0.000 0.260 126 D C -1.649 174.726 176.300 0.124 0.000 1.252 126 D CA -1.716 52.215 54.000 -0.115 0.000 0.895 126 D CB 0.913 41.700 40.800 -0.022 0.000 1.097 126 D HN 0.073 nan 8.370 nan 0.000 0.489 127 P HA -0.101 nan 4.420 nan 0.000 0.218 127 P C 1.177 178.590 177.300 0.188 0.000 1.146 127 P CA 0.988 64.211 63.100 0.204 0.000 0.813 127 P CB 0.261 32.102 31.700 0.235 0.000 0.778 128 L N -2.778 118.605 121.223 0.266 0.000 2.616 128 L HA 0.150 4.489 4.340 -0.001 0.000 0.229 128 L C 0.893 177.921 176.870 0.263 0.000 1.110 128 L CA -0.081 54.913 54.840 0.258 0.000 0.884 128 L CB -0.313 41.927 42.059 0.301 0.000 1.115 128 L HN -0.086 nan 8.230 nan 0.000 0.481 129 N N 1.615 120.465 118.700 0.250 0.000 2.415 129 N HA 0.103 4.842 4.740 -0.001 0.000 0.246 129 N C -1.559 174.043 175.510 0.153 0.000 1.078 129 N CA -1.861 51.326 53.050 0.228 0.000 0.942 129 N CB 1.378 40.013 38.487 0.246 0.000 1.140 129 N HN -0.082 nan 8.380 nan 0.000 0.501 130 P HA -0.151 nan 4.420 nan 0.000 0.216 130 P C -0.186 177.186 177.300 0.119 0.000 1.150 130 P CA 1.146 64.316 63.100 0.117 0.000 0.837 130 P CB 0.356 32.118 31.700 0.103 0.000 0.786 131 Q N 0.786 120.676 119.800 0.150 0.000 2.815 131 Q HA 0.247 4.587 4.340 -0.001 0.000 0.235 131 Q C -0.317 175.814 176.000 0.219 0.000 1.354 131 Q CA 0.433 56.354 55.803 0.197 0.000 0.953 131 Q CB -0.140 28.726 28.738 0.213 0.000 1.613 131 Q HN 0.147 nan 8.270 nan 0.000 0.572 132 S N 1.540 117.343 115.700 0.170 0.000 2.548 132 S HA 0.736 5.206 4.470 -0.001 0.000 0.286 132 S C -1.049 173.635 174.600 0.141 0.000 1.098 132 S CA -0.851 57.341 58.200 -0.014 0.000 0.930 132 S CB 1.236 64.357 63.200 -0.132 0.000 1.070 132 S HN 0.561 nan 8.310 nan 0.000 0.480 133 W N 0.788 122.009 121.300 -0.131 0.000 3.042 133 W HA 0.683 5.343 4.660 -0.001 0.000 0.342 133 W C -1.674 174.773 176.519 -0.120 0.000 1.240 133 W CA -0.960 56.293 57.345 -0.153 0.000 1.166 133 W CB 0.604 29.920 29.460 -0.241 0.000 1.469 133 W HN 0.212 nan 8.180 nan 0.000 0.579 134 K N 1.851 122.291 120.400 0.067 0.000 2.183 134 K HA 0.690 5.010 4.320 -0.001 0.000 0.274 134 K C -0.012 176.679 176.600 0.152 0.000 1.009 134 K CA -0.147 56.142 56.287 0.004 0.000 0.888 134 K CB 1.062 33.562 32.500 0.000 0.000 1.078 134 K HN 0.934 nan 8.250 nan 0.000 0.459 138 G N 1.216 109.864 108.800 -0.253 0.000 2.314 138 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.292 138 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.292 138 G C -0.304 174.544 174.900 -0.087 0.000 1.059 138 G CA 0.951 45.971 45.100 -0.134 0.000 0.982 138 G HN 1.202 nan 8.290 nan 0.000 0.505 139 H N -3.108 115.917 119.070 -0.075 0.000 3.094 139 H HA 0.776 5.332 4.556 -0.001 0.000 0.335 139 H C -0.078 175.151 175.328 -0.164 0.000 1.254 139 H CA -0.376 55.605 56.048 -0.110 0.000 1.240 139 H CB 0.384 30.070 29.762 -0.127 0.000 1.936 139 H HN 1.026 nan 8.280 nan 0.000 0.536 140 A N 1.434 124.248 122.820 -0.010 0.000 2.366 140 A HA 0.628 4.948 4.320 -0.001 0.000 0.249 140 A C 0.349 177.767 177.584 -0.277 0.000 1.084 140 A CA 0.249 52.170 52.037 -0.194 0.000 0.794 140 A CB 0.021 18.906 19.000 -0.192 0.000 1.034 140 A HN 1.408 nan 8.150 nan 0.000 0.491 141 V N -1.475 118.030 119.914 -0.682 0.000 3.160 141 V HA 0.917 5.037 4.120 -0.001 0.000 0.310 141 V C -0.174 175.187 176.094 -1.221 0.000 1.181 141 V CA -0.531 61.270 62.300 -0.833 0.000 1.047 141 V CB 1.610 33.017 31.823 -0.694 0.000 1.068 141 V HN 0.912 nan 8.190 nan 0.000 0.441 142 S N 0.345 115.360 115.700 -1.142 0.000 2.599 142 S HA 0.916 5.385 4.470 -0.001 0.000 0.294 142 S C -0.121 174.151 174.600 -0.547 0.000 1.094 142 S CA -0.156 57.504 58.200 -0.901 0.000 0.931 142 S CB 1.710 64.407 63.200 -0.838 0.000 1.093 142 S HN 1.578 nan 8.310 nan 0.000 0.488 143 A N 1.277 124.120 122.820 0.039 0.000 2.310 143 A HA 0.774 5.094 4.320 -0.001 0.000 0.299 143 A C -1.067 176.743 177.584 0.377 0.000 1.147 143 A CA -0.361 51.853 52.037 0.294 0.000 0.818 143 A CB 0.244 19.451 19.000 0.344 0.000 1.096 143 A HN 0.605 nan 8.150 nan 0.000 0.495 144 L N 1.774 123.201 121.223 0.340 0.000 2.406 144 L HA 0.558 4.897 4.340 -0.001 0.000 0.272 144 L C -0.851 176.028 176.870 0.015 0.000 0.980 144 L CA 0.099 55.121 54.840 0.304 0.000 0.831 144 L CB 1.749 44.139 42.059 0.553 0.000 1.253 144 L HN 0.799 nan 8.230 nan 0.000 0.406 145 E N 5.961 126.070 120.200 -0.151 0.000 2.244 145 E HA 0.419 4.768 4.350 -0.001 0.000 0.260 145 E C -0.950 175.329 176.600 -0.535 0.000 0.884 145 E CA -0.895 55.338 56.400 -0.279 0.000 0.777 145 E CB 1.906 31.486 29.700 -0.201 0.000 1.197 145 E HN 0.413 nan 8.360 nan 0.000 0.416 146 M N 2.470 121.776 119.600 -0.491 0.000 2.241 146 M HA 0.170 4.649 4.480 -0.001 0.000 0.335 146 M C -1.629 174.313 176.300 -0.597 0.000 1.122 146 M CA -2.493 52.335 55.300 -0.787 0.000 1.164 146 M CB -0.196 32.051 32.600 -0.587 0.000 1.459 146 M HN 0.196 nan 8.290 nan 0.000 0.461 147 P HA -0.174 nan 4.420 nan 0.000 0.217 147 P C 0.691 177.906 177.300 -0.142 0.000 1.148 147 P CA 1.413 64.343 63.100 -0.284 0.000 0.834 147 P CB 0.231 31.831 31.700 -0.166 0.000 0.783 148 Q N -1.507 118.207 119.800 -0.143 0.000 2.204 148 Q HA 0.296 4.635 4.340 -0.001 0.000 0.209 148 Q C 0.471 176.434 176.000 -0.062 0.000 0.861 148 Q CA -0.354 55.422 55.803 -0.045 0.000 0.971 148 Q CB -0.216 28.536 28.738 0.024 0.000 1.095 148 Q HN 0.121 nan 8.270 nan 0.000 0.486 149 A N 2.732 125.483 122.820 -0.115 0.000 2.531 149 A HA 0.280 4.600 4.320 -0.001 0.000 0.236 149 A C -1.958 175.579 177.584 -0.079 0.000 1.062 149 A CA -0.699 51.268 52.037 -0.117 0.000 0.760 149 A CB -0.366 18.530 19.000 -0.173 0.000 0.995 149 A HN 0.031 nan 8.150 nan 0.000 0.501 150 P HA 0.202 nan 4.420 nan 0.000 0.269 150 P C -0.447 176.828 177.300 -0.042 0.000 1.209 150 P CA -0.062 63.010 63.100 -0.047 0.000 0.776 150 P CB 0.271 31.940 31.700 -0.052 0.000 0.876 151 L N 2.019 123.233 121.223 -0.015 0.000 2.439 151 L HA 0.141 4.480 4.340 -0.001 0.000 0.269 151 L C 0.845 177.723 176.870 0.013 0.000 1.179 151 L CA 0.133 54.975 54.840 0.004 0.000 0.828 151 L CB -0.197 41.874 42.059 0.019 0.000 1.106 151 L HN 0.331 nan 8.230 nan 0.000 0.467 152 Q N 3.200 123.029 119.800 0.049 0.000 2.348 152 Q HA 0.326 4.666 4.340 -0.001 0.000 0.265 152 Q C -2.343 173.766 176.000 0.180 0.000 0.998 152 Q CA -2.078 53.791 55.803 0.109 0.000 0.831 152 Q CB 1.722 30.516 28.738 0.093 0.000 1.251 152 Q HN 0.321 nan 8.270 nan 0.000 0.456 153 P HA -0.122 nan 4.420 nan 0.000 0.258 153 P C 0.802 178.104 177.300 0.003 0.000 1.172 153 P CA 1.371 64.503 63.100 0.053 0.000 0.762 153 P CB 0.482 32.194 31.700 0.021 0.000 0.764 154 G N 2.396 111.171 108.800 -0.042 0.000 2.417 154 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.233 154 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.233 154 G C 0.946 175.729 174.900 -0.194 0.000 1.103 154 G CA 0.086 45.085 45.100 -0.169 0.000 0.647 154 G HN 0.469 nan 8.290 nan 0.000 0.512 155 W N 2.551 123.815 121.300 -0.059 0.000 2.465 155 W HA 0.207 4.867 4.660 -0.001 0.000 0.268 155 W C 2.330 178.822 176.519 -0.045 0.000 1.242 155 W CA 1.226 58.532 57.345 -0.065 0.000 1.248 155 W CB -0.061 29.352 29.460 -0.078 0.000 1.118 155 W HN 0.546 nan 8.180 nan 0.000 0.587 156 D N -0.520 119.973 120.400 0.154 0.000 2.149 156 D HA -0.117 4.523 4.640 -0.001 0.000 0.201 156 D C 0.969 177.304 176.300 0.058 0.000 0.972 156 D CA 0.969 55.025 54.000 0.094 0.000 0.835 156 D CB -0.968 39.873 40.800 0.068 0.000 0.966 156 D HN 0.134 nan 8.370 nan 0.000 0.476 157 C N -0.511 118.807 119.300 0.029 0.000 3.164 157 C HA 0.577 5.037 4.460 -0.001 0.000 0.250 157 C C -2.927 172.051 174.990 -0.019 0.000 1.151 157 C CA -2.205 56.821 59.018 0.012 0.000 1.449 157 C CB 0.349 28.100 27.740 0.018 0.000 1.825 157 C HN 0.036 nan 8.230 nan 0.000 0.478 158 P HA 0.361 nan 4.420 nan 0.000 0.279 158 P C -0.997 176.278 177.300 -0.041 0.000 1.239 158 P CA 0.617 63.677 63.100 -0.066 0.000 0.789 158 P CB 1.002 32.666 31.700 -0.059 0.000 0.933 159 Q N 0.893 120.667 119.800 -0.044 0.000 2.310 159 Q HA 0.571 4.911 4.340 -0.001 0.000 0.270 159 Q C -0.409 175.589 176.000 -0.003 0.000 1.025 159 Q CA -0.936 54.849 55.803 -0.029 0.000 0.772 159 Q CB 2.326 31.038 28.738 -0.043 0.000 1.253 159 Q HN 0.522 nan 8.270 nan 0.000 0.450 160 A N 4.349 127.172 122.820 0.005 0.000 2.546 160 A HA 0.244 4.564 4.320 -0.001 0.000 0.243 160 A C -1.977 175.643 177.584 0.059 0.000 1.063 160 A CA -0.662 51.396 52.037 0.034 0.000 0.757 160 A CB -0.468 18.546 19.000 0.024 0.000 0.991 160 A HN 0.417 nan 8.150 nan 0.000 0.503 161 P HA 0.101 nan 4.420 nan 0.000 0.276 161 P C 0.491 177.849 177.300 0.097 0.000 1.230 161 P CA -0.226 62.986 63.100 0.186 0.000 0.776 161 P CB 1.065 32.988 31.700 0.373 0.000 0.888 162 E N 2.001 122.233 120.200 0.054 0.000 2.077 162 E HA -0.096 4.254 4.350 -0.001 0.000 0.193 162 E C 0.155 176.757 176.600 0.003 0.000 0.989 162 E CA 1.011 57.418 56.400 0.012 0.000 0.800 162 E CB 0.079 29.772 29.700 -0.012 0.000 0.746 162 E HN 0.491 nan 8.360 nan 0.000 0.452 163 I N 2.438 123.004 120.570 -0.008 0.000 2.389 163 I HA 0.239 4.409 4.170 -0.001 0.000 0.288 163 I C -2.277 173.849 176.117 0.016 0.000 0.999 163 I CA -2.412 58.872 61.300 -0.027 0.000 1.129 163 I CB 1.782 39.733 38.000 -0.081 0.000 1.288 163 I HN -0.084 nan 8.210 nan 0.000 0.444 164 P HA 0.149 nan 4.420 nan 0.000 0.271 164 P C -0.239 177.020 177.300 -0.069 0.000 1.216 164 P CA -0.281 62.789 63.100 -0.050 0.000 0.776 164 P CB 0.742 32.402 31.700 -0.068 0.000 0.881 165 A N 2.985 125.668 122.820 -0.227 0.000 2.507 165 A HA 0.108 4.427 4.320 -0.001 0.000 0.235 165 A C 0.457 177.988 177.584 -0.087 0.000 1.070 165 A CA 0.320 52.241 52.037 -0.194 0.000 0.768 165 A CB -0.288 18.114 19.000 -0.997 0.000 1.011 165 A HN 0.486 nan 8.150 nan 0.000 0.502 166 K N 0.944 121.359 120.400 0.024 0.000 2.293 166 K HA 0.296 4.615 4.320 -0.001 0.000 0.267 166 K C -0.392 176.226 176.600 0.031 0.000 1.010 166 K CA 0.004 56.306 56.287 0.026 0.000 0.875 166 K CB 0.844 33.355 32.500 0.018 0.000 1.106 166 K HN 0.695 nan 8.250 nan 0.000 0.450 167 E N 6.029 126.209 120.200 -0.033 0.000 2.115 167 E HA 0.257 4.606 4.350 -0.001 0.000 0.282 167 E C -0.657 175.816 176.600 -0.212 0.000 0.987 167 E CA -0.680 55.559 56.400 -0.268 0.000 0.797 167 E CB 0.460 29.943 29.700 -0.362 0.000 1.086 167 E HN 0.670 nan 8.360 nan 0.000 0.397 168 I N 2.023 122.462 120.570 -0.219 0.000 2.693 168 I HA 0.499 4.668 4.170 -0.001 0.000 0.303 168 I C -0.540 175.498 176.117 -0.132 0.000 1.025 168 I CA -1.198 60.029 61.300 -0.122 0.000 1.086 168 I CB 1.719 39.688 38.000 -0.052 0.000 1.268 168 I HN 0.411 nan 8.210 nan 0.000 0.440 169 I N 4.968 125.500 120.570 -0.063 0.000 2.331 169 I HA 0.268 4.437 4.170 -0.001 0.000 0.292 169 I C -1.494 174.679 176.117 0.093 0.000 0.998 169 I CA -0.333 60.950 61.300 -0.029 0.000 1.267 169 I CB 1.326 39.300 38.000 -0.044 0.000 1.386 169 I HN 0.933 nan 8.210 nan 0.000 0.476 170 W N 9.745 130.991 121.300 -0.090 0.000 2.298 170 W HA 0.381 5.040 4.660 -0.001 0.000 0.327 170 W C -0.616 175.875 176.519 -0.047 0.000 0.988 170 W CA -1.419 55.889 57.345 -0.060 0.000 1.448 170 W CB 0.380 29.808 29.460 -0.054 0.000 1.243 170 W HN 0.510 nan 8.180 nan 0.000 0.388 171 K N 4.929 125.331 120.400 0.004 0.000 2.273 171 K HA 0.301 4.620 4.320 -0.001 0.000 0.287 171 K C -0.054 176.428 176.600 -0.197 0.000 1.089 171 K CA -0.074 56.121 56.287 -0.155 0.000 0.909 171 K CB 0.590 33.067 32.500 -0.038 0.000 1.123 171 K HN 0.305 nan 8.250 nan 0.000 0.473 172 S N 3.226 118.638 115.700 -0.481 0.000 2.499 172 S HA 0.076 4.546 4.470 -0.001 0.000 0.279 172 S C 0.845 175.378 174.600 -0.112 0.000 1.219 172 S CA -0.560 57.446 58.200 -0.324 0.000 1.062 172 S CB 0.996 63.807 63.200 -0.647 0.000 0.978 172 S HN 0.753 nan 8.310 nan 0.000 0.489 173 E N 5.309 125.514 120.200 0.007 0.000 2.033 173 E HA -0.033 4.316 4.350 -0.001 0.000 0.189 173 E C 2.065 178.668 176.600 0.004 0.000 0.979 173 E CA 0.520 56.926 56.400 0.011 0.000 0.802 173 E CB -0.356 29.369 29.700 0.041 0.000 0.763 173 E HN 0.670 nan 8.360 nan 0.000 0.449 174 R N 0.586 121.102 120.500 0.027 0.000 2.096 174 R HA -0.025 4.315 4.340 -0.001 0.000 0.235 174 R C 2.067 178.370 176.300 0.005 0.000 1.127 174 R CA 1.405 57.521 56.100 0.027 0.000 0.968 174 R CB -0.170 30.162 30.300 0.053 0.000 0.861 174 R HN 0.305 nan 8.270 nan 0.000 0.440 175 L N 0.224 121.428 121.223 -0.031 0.000 2.477 175 L HA 0.102 4.441 4.340 -0.001 0.000 0.220 175 L C 0.431 177.269 176.870 -0.053 0.000 1.106 175 L CA 0.376 55.189 54.840 -0.045 0.000 0.851 175 L CB 0.111 42.109 42.059 -0.101 0.000 0.994 175 L HN 0.167 nan 8.230 nan 0.000 0.462 176 K N 1.465 121.824 120.400 -0.068 0.000 3.167 176 K HA -0.182 4.138 4.320 -0.001 0.000 0.272 176 K C -0.723 175.839 176.600 -0.063 0.000 1.137 176 K CA 0.633 56.888 56.287 -0.053 0.000 0.800 176 K CB -1.833 30.653 32.500 -0.023 0.000 1.253 176 K HN 0.645 nan 8.250 nan 0.000 0.497 177 N N -2.042 116.577 118.700 -0.135 0.000 3.020 177 N HA 0.413 5.152 4.740 -0.001 0.000 0.248 177 N C -1.304 174.042 175.510 -0.272 0.000 1.480 177 N CA -0.928 52.032 53.050 -0.150 0.000 0.874 177 N CB 1.344 39.782 38.487 -0.082 0.000 1.433 177 N HN -0.086 nan 8.380 nan 0.000 0.530 178 S N -0.874 114.687 115.700 -0.231 0.000 2.537 178 S HA 0.845 5.314 4.470 -0.001 0.000 0.301 178 S C -0.660 173.801 174.600 -0.231 0.000 1.092 178 S CA -0.953 57.101 58.200 -0.242 0.000 1.048 178 S CB 1.026 64.143 63.200 -0.139 0.000 1.053 178 S HN 0.779 nan 8.310 nan 0.000 0.501 179 R N 0.934 121.318 120.500 -0.195 0.000 2.739 179 R HA 0.546 4.885 4.340 -0.001 0.000 0.271 179 R C -1.379 174.896 176.300 -0.043 0.000 1.010 179 R CA -1.095 54.946 56.100 -0.098 0.000 0.897 179 R CB 1.212 31.478 30.300 -0.057 0.000 1.236 179 R HN 0.461 nan 8.270 nan 0.000 0.466 180 R N 0.820 121.259 120.500 -0.100 0.000 2.594 180 R HA 0.400 4.739 4.340 -0.001 0.000 0.272 180 R C -0.579 175.553 176.300 -0.280 0.000 1.074 180 R CA -0.340 55.560 56.100 -0.333 0.000 1.105 180 R CB 1.098 31.015 30.300 -0.638 0.000 1.008 180 R HN 0.331 nan 8.270 nan 0.000 0.472 181 V N 2.819 122.512 119.914 -0.369 0.000 2.668 181 V HA 0.303 4.422 4.120 -0.001 0.000 0.304 181 V C -0.731 175.268 176.094 -0.158 0.000 1.071 181 V CA -0.932 61.319 62.300 -0.083 0.000 0.894 181 V CB 1.801 33.681 31.823 0.095 0.000 1.008 181 V HN 0.679 nan 8.190 nan 0.000 0.425 182 W N 5.053 126.484 121.300 0.219 0.000 2.469 182 W HA 0.709 5.369 4.660 -0.001 0.000 0.320 182 W C -0.653 176.009 176.519 0.239 0.000 1.086 182 W CA -0.584 56.903 57.345 0.236 0.000 1.211 182 W CB 1.810 31.509 29.460 0.398 0.000 1.298 182 W HN 0.403 nan 8.180 nan 0.000 0.525 183 I N 3.455 124.238 120.570 0.355 0.000 2.436 183 I HA 0.409 4.578 4.170 -0.001 0.000 0.289 183 I C -1.005 175.300 176.117 0.314 0.000 1.010 183 I CA -0.758 60.719 61.300 0.294 0.000 1.098 183 I CB 1.663 39.758 38.000 0.158 0.000 1.266 183 I HN 0.176 nan 8.210 nan 0.000 0.434 184 F N 4.724 124.799 119.950 0.209 0.000 2.573 184 F HA 0.587 5.113 4.527 -0.001 0.000 0.316 184 F C -0.739 175.211 175.800 0.251 0.000 1.148 184 F CA -0.058 58.044 58.000 0.170 0.000 0.940 184 F CB 1.870 41.022 39.000 0.252 0.000 1.214 184 F HN 0.335 nan 8.300 nan 0.000 0.448 185 T N 3.516 117.760 114.554 -0.517 0.000 2.885 185 T HA 0.737 5.086 4.350 -0.001 0.000 0.285 185 T C -0.363 174.012 174.700 -0.541 0.000 1.019 185 T CA -0.547 61.341 62.100 -0.354 0.000 1.010 185 T CB 1.828 70.571 68.868 -0.208 0.000 1.022 185 T HN 0.760 nan 8.240 nan 0.000 0.466 194 R N 2.181 122.634 120.500 -0.078 0.000 2.473 194 R HA 0.095 4.435 4.340 -0.001 0.000 0.315 194 R C -2.279 173.955 176.300 -0.110 0.000 0.972 194 R CA -0.865 55.153 56.100 -0.136 0.000 1.047 194 R CB 0.126 30.358 30.300 -0.114 0.000 0.932 194 R HN -0.070 nan 8.270 nan 0.000 0.411 195 P HA -0.041 nan 4.420 nan 0.000 0.272 195 P C -0.882 176.362 177.300 -0.094 0.000 1.254 195 P CA -0.356 62.667 63.100 -0.127 0.000 0.795 195 P CB 0.505 32.036 31.700 -0.282 0.000 1.022 196 L N 0.190 121.423 121.223 0.015 0.000 2.334 196 L HA 0.751 5.090 4.340 -0.001 0.000 0.276 196 L C -1.077 175.862 176.870 0.115 0.000 1.014 196 L CA -0.720 54.039 54.840 -0.136 0.000 0.815 196 L CB 1.232 42.976 42.059 -0.524 0.000 1.268 196 L HN 0.401 nan 8.230 nan 0.000 0.428 197 A N 4.756 127.613 122.820 0.062 0.000 2.332 197 A HA 0.685 5.004 4.320 -0.001 0.000 0.300 197 A C -1.282 176.390 177.584 0.147 0.000 1.153 197 A CA -0.533 51.600 52.037 0.159 0.000 0.764 197 A CB 1.135 20.316 19.000 0.301 0.000 1.174 197 A HN 0.497 nan 8.150 nan 0.000 0.467 198 V N 3.701 123.695 119.914 0.134 0.000 2.406 198 V HA 0.313 4.432 4.120 -0.001 0.000 0.272 198 V C -0.534 175.660 176.094 0.166 0.000 1.043 198 V CA -0.136 62.265 62.300 0.168 0.000 0.915 198 V CB 0.899 32.849 31.823 0.212 0.000 0.988 198 V HN 0.710 nan 8.190 nan 0.000 0.466 199 L N 6.546 127.888 121.223 0.199 0.000 2.294 199 L HA 0.504 4.843 4.340 -0.001 0.000 0.283 199 L C -0.047 176.966 176.870 0.238 0.000 1.015 199 L CA 0.255 55.196 54.840 0.168 0.000 0.831 199 L CB 1.417 43.553 42.059 0.127 0.000 1.217 199 L HN 0.470 nan 8.230 nan 0.000 0.420 200 L N 3.101 124.455 121.223 0.218 0.000 2.472 200 L HA 0.252 4.591 4.340 -0.001 0.000 0.260 200 L C 0.430 177.453 176.870 0.254 0.000 1.209 200 L CA -0.431 54.540 54.840 0.219 0.000 0.817 200 L CB 0.190 42.347 42.059 0.163 0.000 1.106 200 L HN 0.627 nan 8.230 nan 0.000 0.479 201 D N 1.134 121.646 120.400 0.187 0.000 2.772 201 D HA -0.164 4.476 4.640 -0.001 0.000 0.233 201 D C 1.238 177.676 176.300 0.230 0.000 1.143 201 D CA 1.012 55.105 54.000 0.154 0.000 0.700 201 D CB -0.991 39.844 40.800 0.058 0.000 1.076 201 D HN 0.952 nan 8.370 nan 0.000 0.430 202 G N 0.852 109.830 108.800 0.297 0.000 2.498 202 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.219 202 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.219 202 G C 1.440 176.385 174.900 0.076 0.000 1.119 202 G CA 1.034 46.321 45.100 0.312 0.000 0.766 202 G HN 0.524 nan 8.290 nan 0.000 0.552 203 E N 0.220 120.486 120.200 0.110 0.000 2.152 203 E HA -0.131 4.218 4.350 -0.001 0.000 0.192 203 E C 2.046 178.502 176.600 -0.239 0.000 0.983 203 E CA 0.444 56.781 56.400 -0.104 0.000 0.818 203 E CB -0.615 29.197 29.700 0.188 0.000 0.758 203 E HN 0.414 nan 8.360 nan 0.000 0.467 204 F N 0.561 120.318 119.950 -0.321 0.000 2.113 204 F HA -0.044 4.482 4.527 -0.001 0.000 0.297 204 F C 1.709 177.117 175.800 -0.653 0.000 1.103 204 F CA 1.531 59.214 58.000 -0.529 0.000 1.248 204 F CB -0.298 38.276 39.000 -0.710 0.000 0.999 204 F HN -0.056 nan 8.300 nan 0.000 0.475 205 W N -0.380 120.860 121.300 -0.100 0.000 2.800 205 W HA 0.143 4.803 4.660 -0.001 0.000 0.249 205 W C 2.191 178.288 176.519 -0.703 0.000 1.294 205 W CA 0.591 57.756 57.345 -0.301 0.000 1.402 205 W CB -0.413 28.951 29.460 -0.160 0.000 1.126 205 W HN 0.063 nan 8.180 nan 0.000 0.652 206 A N -0.427 122.020 122.820 -0.622 0.000 1.956 206 A HA -0.015 4.304 4.320 -0.001 0.000 0.212 206 A C 1.848 179.024 177.584 -0.680 0.000 1.188 206 A CA 0.982 52.454 52.037 -0.943 0.000 0.675 206 A CB 0.006 18.000 19.000 -1.676 0.000 0.845 206 A HN 0.318 nan 8.150 nan 0.000 0.455 207 Q N -1.711 117.742 119.800 -0.578 0.000 2.534 207 Q HA 0.112 4.451 4.340 -0.001 0.000 0.252 207 Q C 2.100 177.869 176.000 -0.385 0.000 0.850 207 Q CA 0.772 56.357 55.803 -0.363 0.000 0.974 207 Q CB 0.538 29.138 28.738 -0.231 0.000 1.205 207 Q HN 0.513 nan 8.270 nan 0.000 0.593 208 S N 0.495 115.834 115.700 -0.602 0.000 2.377 208 S HA 0.129 4.598 4.470 -0.001 0.000 0.223 208 S C 0.965 175.076 174.600 -0.815 0.000 1.030 208 S CA 0.888 58.656 58.200 -0.720 0.000 0.970 208 S CB 0.259 62.748 63.200 -1.184 0.000 0.830 208 S HN 0.239 nan 8.310 nan 0.000 0.473 209 M N 1.510 120.553 119.600 -0.928 0.000 2.400 209 M HA 0.292 4.772 4.480 -0.001 0.000 0.241 209 M C -3.079 173.073 176.300 -0.248 0.000 1.158 209 M CA -1.761 53.208 55.300 -0.552 0.000 0.613 209 M CB 1.895 34.106 32.600 -0.648 0.000 1.615 209 M HN -0.177 nan 8.290 nan 0.000 0.371 210 P HA -0.048 nan 4.420 nan 0.000 0.260 210 P C 1.003 177.862 177.300 -0.736 0.000 1.185 210 P CA 0.111 62.759 63.100 -0.753 0.000 0.763 210 P CB 0.469 31.792 31.700 -0.629 0.000 0.776 211 V N 0.427 119.763 119.914 -0.962 0.000 3.461 211 V HA -0.084 4.036 4.120 -0.001 0.000 0.267 211 V C 1.397 177.023 176.094 -0.780 0.000 1.186 211 V CA 0.292 62.111 62.300 -0.802 0.000 1.154 211 V CB -1.634 29.810 31.823 -0.632 0.000 0.802 211 V HN 0.468 nan 8.190 nan 0.000 0.474 212 W N 1.533 122.462 121.300 -0.617 0.000 2.301 212 W HA -0.083 4.576 4.660 -0.001 0.000 0.325 212 W C -0.040 176.210 176.519 -0.448 0.000 1.250 212 W CA 1.453 58.291 57.345 -0.845 0.000 1.261 212 W CB -2.334 26.675 29.460 -0.752 0.000 1.157 212 W HN 0.336 nan 8.180 nan 0.000 0.473 213 P HA -0.081 nan 4.420 nan 0.000 0.229 213 P C 1.464 178.642 177.300 -0.204 0.000 1.160 213 P CA 1.205 64.248 63.100 -0.095 0.000 0.777 213 P CB -0.116 31.534 31.700 -0.084 0.000 0.814 214 V N -0.367 119.296 119.914 -0.418 0.000 2.302 214 V HA -0.160 3.959 4.120 -0.001 0.000 0.243 214 V C 2.450 178.327 176.094 -0.362 0.000 1.036 214 V CA 1.423 63.378 62.300 -0.575 0.000 1.020 214 V CB -1.254 29.848 31.823 -1.203 0.000 0.657 214 V HN 0.017 nan 8.190 nan 0.000 0.453 215 L N -0.073 120.960 121.223 -0.318 0.000 2.046 215 L HA -0.177 4.163 4.340 -0.001 0.000 0.208 215 L C 2.684 179.582 176.870 0.047 0.000 1.077 215 L CA 1.961 56.723 54.840 -0.130 0.000 0.747 215 L CB -1.148 40.804 42.059 -0.179 0.000 0.896 215 L HN 0.348 nan 8.230 nan 0.000 0.432 216 T N -1.087 113.533 114.554 0.110 0.000 2.635 216 T HA -0.264 4.085 4.350 -0.001 0.000 0.267 216 T C 2.167 176.914 174.700 0.078 0.000 1.040 216 T CA 1.908 64.097 62.100 0.149 0.000 1.156 216 T CB -0.291 68.676 68.868 0.166 0.000 0.863 216 T HN 0.306 nan 8.240 nan 0.000 0.430 217 S N 0.641 116.348 115.700 0.012 0.000 2.359 217 S HA -0.053 4.417 4.470 -0.001 0.000 0.223 217 S C 2.023 176.646 174.600 0.038 0.000 1.039 217 S CA 1.169 59.378 58.200 0.014 0.000 1.042 217 S CB -0.555 62.616 63.200 -0.048 0.000 0.915 217 S HN 0.425 nan 8.310 nan 0.000 0.439 218 L N 0.596 121.812 121.223 -0.011 0.000 2.201 218 L HA -0.075 4.265 4.340 -0.001 0.000 0.212 218 L C 2.592 179.472 176.870 0.018 0.000 1.105 218 L CA 1.323 56.160 54.840 -0.004 0.000 0.775 218 L CB -0.670 41.372 42.059 -0.028 0.000 0.913 218 L HN 0.390 nan 8.230 nan 0.000 0.440 219 T N -2.551 112.032 114.554 0.049 0.000 2.770 219 T HA -0.192 4.158 4.350 -0.001 0.000 0.258 219 T C 1.774 176.488 174.700 0.023 0.000 1.039 219 T CA 1.171 63.292 62.100 0.035 0.000 1.143 219 T CB -0.267 68.644 68.868 0.071 0.000 0.866 219 T HN 0.380 nan 8.240 nan 0.000 0.428 220 H N 1.457 120.518 119.070 -0.015 0.000 2.321 220 H HA -0.028 4.527 4.556 -0.001 0.000 0.295 220 H C 2.225 177.539 175.328 -0.022 0.000 1.102 220 H CA 1.703 57.740 56.048 -0.018 0.000 1.266 220 H CB -0.072 29.686 29.762 -0.008 0.000 1.363 220 H HN 0.047 nan 8.280 nan 0.000 0.492 221 R N 0.262 120.727 120.500 -0.059 0.000 2.339 221 R HA 0.016 4.356 4.340 -0.001 0.000 0.199 221 R C 0.168 176.399 176.300 -0.116 0.000 1.018 221 R CA 0.688 56.729 56.100 -0.099 0.000 1.036 221 R CB 0.099 30.403 30.300 0.006 0.000 0.899 221 R HN 0.539 nan 8.270 nan 0.000 0.473 222 Q N -1.035 118.682 119.800 -0.138 0.000 2.502 222 Q HA -0.244 4.095 4.340 -0.001 0.000 0.273 222 Q C 0.072 175.967 176.000 -0.175 0.000 1.127 222 Q CA 0.584 56.289 55.803 -0.164 0.000 0.952 222 Q CB -0.905 27.750 28.738 -0.139 0.000 1.333 222 Q HN 0.387 nan 8.270 nan 0.000 0.494 223 Q N -0.826 118.908 119.800 -0.110 0.000 2.396 223 Q HA 0.183 4.522 4.340 -0.001 0.000 0.220 223 Q C 0.109 176.071 176.000 -0.064 0.000 0.900 223 Q CA 0.529 56.290 55.803 -0.070 0.000 0.925 223 Q CB 0.720 29.453 28.738 -0.008 0.000 1.065 223 Q HN 0.207 nan 8.270 nan 0.000 0.535 224 L N 2.170 123.363 121.223 -0.050 0.000 2.386 224 L HA 0.472 4.811 4.340 -0.001 0.000 0.271 224 L C -2.455 174.339 176.870 -0.127 0.000 0.993 224 L CA -2.303 52.547 54.840 0.017 0.000 0.819 224 L CB 1.919 44.085 42.059 0.180 0.000 1.294 224 L HN -0.122 nan 8.230 nan 0.000 0.414 225 P HA 0.282 nan 4.420 nan 0.000 0.275 225 P C -2.723 174.381 177.300 -0.327 0.000 1.228 225 P CA -1.646 61.248 63.100 -0.345 0.000 0.786 225 P CB -0.009 31.396 31.700 -0.490 0.000 0.927 226 P HA 0.184 nan 4.420 nan 0.000 0.265 226 P C -0.527 176.600 177.300 -0.288 0.000 1.187 226 P CA 0.803 63.791 63.100 -0.186 0.000 0.766 226 P CB 0.155 31.767 31.700 -0.148 0.000 0.820 227 A N 2.036 124.699 122.820 -0.262 0.000 2.581 227 A HA 0.603 4.923 4.320 -0.001 0.000 0.290 227 A C -1.431 175.952 177.584 -0.335 0.000 1.119 227 A CA -0.521 51.269 52.037 -0.412 0.000 0.670 227 A CB 0.872 19.414 19.000 -0.763 0.000 1.280 227 A HN 0.238 nan 8.150 nan 0.000 0.425 228 V N 0.678 120.391 119.914 -0.335 0.000 2.398 228 V HA 0.483 4.603 4.120 -0.001 0.000 0.286 228 V C -1.306 174.628 176.094 -0.266 0.000 1.026 228 V CA -0.171 62.028 62.300 -0.170 0.000 0.868 228 V CB 0.755 32.572 31.823 -0.010 0.000 0.982 228 V HN 0.677 nan 8.190 nan 0.000 0.443 229 Y N 2.849 123.260 120.300 0.185 0.000 2.328 229 Y HA 0.597 5.146 4.550 -0.001 0.000 0.336 229 Y C -0.039 176.008 175.900 0.244 0.000 0.960 229 Y CA -0.839 57.414 58.100 0.255 0.000 1.134 229 Y CB 2.132 40.835 38.460 0.405 0.000 1.166 229 Y HN 0.362 nan 8.280 nan 0.000 0.464 230 V N 5.911 126.009 119.914 0.307 0.000 2.313 230 V HA 0.291 4.411 4.120 -0.001 0.000 0.278 230 V C -0.738 175.546 176.094 0.317 0.000 1.017 230 V CA -0.675 61.779 62.300 0.257 0.000 0.823 230 V CB 0.963 32.845 31.823 0.098 0.000 1.010 230 V HN 0.470 nan 8.190 nan 0.000 0.443 231 L N 6.620 128.097 121.223 0.423 0.000 2.265 231 L HA 0.532 4.872 4.340 -0.001 0.000 0.289 231 L C -0.094 177.081 176.870 0.509 0.000 1.033 231 L CA 0.200 55.313 54.840 0.456 0.000 0.814 231 L CB 1.187 43.554 42.059 0.513 0.000 1.203 231 L HN 0.459 nan 8.230 nan 0.000 0.423 232 I N 2.546 123.360 120.570 0.407 0.000 2.315 232 I HA 0.178 4.348 4.170 -0.001 0.000 0.291 232 I C 0.191 176.554 176.117 0.409 0.000 1.006 232 I CA -0.803 60.739 61.300 0.402 0.000 1.265 232 I CB 1.213 39.433 38.000 0.366 0.000 1.387 232 I HN 0.465 nan 8.210 nan 0.000 0.475 233 D N 5.236 125.890 120.400 0.423 0.000 2.472 233 D HA 0.050 4.690 4.640 -0.001 0.000 0.248 233 D C 0.860 177.280 176.300 0.200 0.000 1.174 233 D CA 0.249 54.456 54.000 0.345 0.000 0.883 233 D CB 1.420 42.367 40.800 0.245 0.000 1.149 233 D HN 0.680 nan 8.370 nan 0.000 0.488 234 A N 4.452 127.359 122.820 0.145 0.000 2.206 234 A HA 0.083 4.402 4.320 -0.001 0.000 0.211 234 A C 1.839 179.430 177.584 0.012 0.000 1.158 234 A CA 0.595 52.661 52.037 0.049 0.000 0.761 234 A CB -0.438 18.580 19.000 0.030 0.000 0.801 234 A HN 0.841 nan 8.150 nan 0.000 0.473 235 I N -2.043 118.535 120.570 0.012 0.000 4.828 235 I HA -0.424 3.745 4.170 -0.001 0.000 0.040 235 I C 0.281 176.389 176.117 -0.015 0.000 0.633 235 I CA 1.997 63.255 61.300 -0.069 0.000 0.495 235 I CB -1.522 36.287 38.000 -0.320 0.000 0.501 235 I HN 0.649 nan 8.210 nan 0.000 0.152 236 D N -1.384 119.029 120.400 0.022 0.000 2.677 236 D HA 0.384 5.023 4.640 -0.001 0.000 0.298 236 D C 0.210 176.558 176.300 0.079 0.000 1.250 236 D CA 0.099 54.138 54.000 0.065 0.000 0.888 236 D CB 0.796 41.649 40.800 0.089 0.000 1.397 236 D HN 0.096 nan 8.370 nan 0.000 0.461 237 T N -0.549 114.038 114.554 0.055 0.000 2.720 237 T HA -0.130 4.220 4.350 -0.001 0.000 0.268 237 T C 1.595 176.306 174.700 0.017 0.000 1.037 237 T CA 2.436 64.558 62.100 0.037 0.000 1.144 237 T CB -0.543 68.338 68.868 0.022 0.000 0.864 237 T HN 0.563 nan 8.240 nan 0.000 0.444 238 T N 0.800 115.357 114.554 0.004 0.000 2.668 238 T HA -0.109 4.241 4.350 -0.001 0.000 0.262 238 T C 1.730 176.317 174.700 -0.189 0.000 1.045 238 T CA 1.569 63.593 62.100 -0.126 0.000 1.152 238 T CB -0.575 68.248 68.868 -0.075 0.000 0.864 238 T HN 0.505 nan 8.240 nan 0.000 0.419 239 H N 0.648 119.692 119.070 -0.043 0.000 2.321 239 H HA -0.043 4.513 4.556 -0.001 0.000 0.295 239 H C 2.517 177.794 175.328 -0.085 0.000 1.102 239 H CA 1.870 57.910 56.048 -0.014 0.000 1.266 239 H CB -0.106 29.646 29.762 -0.017 0.000 1.363 239 H HN 0.147 nan 8.280 nan 0.000 0.492 240 R N 0.347 120.875 120.500 0.047 0.000 2.091 240 R HA -0.123 4.216 4.340 -0.001 0.000 0.238 240 R C 2.278 178.562 176.300 -0.026 0.000 1.136 240 R CA 1.200 57.290 56.100 -0.015 0.000 0.959 240 R CB -0.230 30.096 30.300 0.043 0.000 0.856 240 R HN 0.377 nan 8.270 nan 0.000 0.437 241 A N -0.567 122.246 122.820 -0.012 0.000 2.014 241 A HA -0.121 4.198 4.320 -0.001 0.000 0.218 241 A C 1.547 179.010 177.584 -0.201 0.000 1.163 241 A CA 1.257 53.273 52.037 -0.034 0.000 0.652 241 A CB -0.456 18.566 19.000 0.036 0.000 0.808 241 A HN 0.538 nan 8.150 nan 0.000 0.449 242 H N -1.409 117.599 119.070 -0.103 0.000 2.431 242 H HA 0.094 4.650 4.556 -0.001 0.000 0.295 242 H C 1.958 177.153 175.328 -0.222 0.000 1.038 242 H CA 1.104 57.072 56.048 -0.132 0.000 1.360 242 H CB 0.264 29.961 29.762 -0.109 0.000 1.433 242 H HN 0.540 nan 8.280 nan 0.000 0.536 243 E N 0.304 120.411 120.200 -0.154 0.000 2.140 243 E HA -0.001 4.349 4.350 -0.001 0.000 0.191 243 E C 1.806 178.056 176.600 -0.583 0.000 0.973 243 E CA 0.237 56.436 56.400 -0.335 0.000 0.829 243 E CB 0.416 29.877 29.700 -0.399 0.000 0.781 243 E HN 0.353 nan 8.360 nan 0.000 0.466 244 L N 0.846 121.735 121.223 -0.557 0.000 2.102 244 L HA 0.038 4.377 4.340 -0.001 0.000 0.202 244 L C -1.418 175.110 176.870 -0.571 0.000 1.076 244 L CA 0.163 54.694 54.840 -0.515 0.000 0.761 244 L CB -0.983 40.879 42.059 -0.328 0.000 0.921 244 L HN -0.083 nan 8.230 nan 0.000 0.444 245 P HA 0.087 nan 4.420 nan 0.000 0.268 245 P C -0.360 176.145 177.300 -1.325 0.000 1.485 245 P CA -0.092 62.143 63.100 -1.442 0.000 1.102 245 P CB -0.183 29.972 31.700 -2.574 0.000 1.501 246 C N 1.461 120.118 119.300 -1.073 0.000 4.056 246 C HA -0.151 4.308 4.460 -0.001 0.000 0.302 246 C C 0.664 175.122 174.990 -0.887 0.000 1.356 246 C CA -0.106 58.025 59.018 -1.478 0.000 2.074 246 C CB -2.848 24.235 27.740 -1.095 0.000 1.328 246 C HN 0.633 nan 8.230 nan 0.000 0.684 247 N N 0.181 118.613 118.700 -0.446 0.000 2.511 247 N HA 0.572 5.311 4.740 -0.001 0.000 0.249 247 N C 0.655 176.329 175.510 0.274 0.000 0.971 247 N CA 0.294 53.300 53.050 -0.073 0.000 0.938 247 N CB 1.586 40.019 38.487 -0.091 0.000 1.131 247 N HN 0.460 nan 8.380 nan 0.000 0.505 248 A N 3.644 126.680 122.820 0.359 0.000 1.877 248 A HA -0.158 4.162 4.320 -0.001 0.000 0.216 248 A C 1.551 179.355 177.584 0.366 0.000 1.186 248 A CA 1.428 53.799 52.037 0.556 0.000 0.620 248 A CB -0.346 18.931 19.000 0.461 0.000 0.822 248 A HN 0.744 nan 8.150 nan 0.000 0.443 249 D N -1.073 119.467 120.400 0.235 0.000 2.149 249 D HA -0.210 4.429 4.640 -0.001 0.000 0.194 249 D C 1.628 178.004 176.300 0.127 0.000 1.001 249 D CA 1.666 55.759 54.000 0.155 0.000 0.849 249 D CB -0.409 40.458 40.800 0.112 0.000 0.939 249 D HN 0.554 nan 8.370 nan 0.000 0.449 250 F N -0.495 119.441 119.950 -0.024 0.000 2.102 250 F HA -0.179 4.348 4.527 -0.001 0.000 0.298 250 F C 1.996 177.659 175.800 -0.228 0.000 1.105 250 F CA 1.396 59.289 58.000 -0.178 0.000 1.239 250 F CB -0.283 38.497 39.000 -0.366 0.000 0.991 250 F HN -0.043 nan 8.300 nan 0.000 0.474 251 W N 0.195 121.439 121.300 -0.093 0.000 2.770 251 W HA 0.094 4.754 4.660 -0.001 0.000 0.256 251 W C 1.889 178.067 176.519 -0.568 0.000 1.291 251 W CA 0.132 57.229 57.345 -0.414 0.000 1.396 251 W CB -0.038 29.119 29.460 -0.506 0.000 1.114 251 W HN 0.011 nan 8.180 nan 0.000 0.637 252 L N -0.397 120.729 121.223 -0.162 0.000 2.068 252 L HA -0.060 4.280 4.340 -0.001 0.000 0.204 252 L C 2.678 179.511 176.870 -0.062 0.000 1.076 252 L CA 1.140 55.915 54.840 -0.107 0.000 0.753 252 L CB -1.322 40.764 42.059 0.046 0.000 0.910 252 L HN -0.065 nan 8.230 nan 0.000 0.439 253 A N 0.109 122.910 122.820 -0.032 0.000 1.883 253 A HA -0.176 4.143 4.320 -0.001 0.000 0.217 253 A C 2.382 179.965 177.584 -0.001 0.000 1.186 253 A CA 1.907 53.982 52.037 0.064 0.000 0.624 253 A CB -0.974 18.116 19.000 0.150 0.000 0.822 253 A HN 0.161 nan 8.150 nan 0.000 0.444 254 V N 0.115 119.904 119.914 -0.208 0.000 2.278 254 V HA -0.385 3.735 4.120 -0.001 0.000 0.251 254 V C 2.708 178.691 176.094 -0.185 0.000 1.062 254 V CA 2.563 64.656 62.300 -0.346 0.000 1.038 254 V CB -0.888 30.673 31.823 -0.437 0.000 0.646 254 V HN 0.704 nan 8.190 nan 0.000 0.447 255 Q N -1.100 118.653 119.800 -0.078 0.000 2.172 255 Q HA -0.188 4.151 4.340 -0.001 0.000 0.200 255 Q C 2.248 178.207 176.000 -0.068 0.000 0.964 255 Q CA 1.338 57.104 55.803 -0.061 0.000 0.855 255 Q CB -0.089 28.584 28.738 -0.108 0.000 0.918 255 Q HN 0.704 nan 8.270 nan 0.000 0.444 256 Q N -0.038 119.728 119.800 -0.057 0.000 2.297 256 Q HA -0.057 4.282 4.340 -0.001 0.000 0.203 256 Q C 1.211 177.195 176.000 -0.026 0.000 0.931 256 Q CA 0.884 56.672 55.803 -0.025 0.000 0.885 256 Q CB 0.483 29.225 28.738 0.007 0.000 0.991 256 Q HN 0.375 nan 8.270 nan 0.000 0.498 257 E N -0.225 119.951 120.200 -0.040 0.000 2.290 257 E HA -0.008 4.342 4.350 -0.001 0.000 0.199 257 E C 1.481 177.924 176.600 -0.262 0.000 0.912 257 E CA 0.019 56.398 56.400 -0.034 0.000 0.924 257 E CB 0.222 30.044 29.700 0.203 0.000 0.901 257 E HN 0.027 nan 8.360 nan 0.000 0.487 258 L N 1.172 122.081 121.223 -0.524 0.000 2.071 258 L HA 0.035 4.375 4.340 -0.001 0.000 0.201 258 L C 1.988 178.661 176.870 -0.329 0.000 1.076 258 L CA 1.387 55.769 54.840 -0.763 0.000 0.755 258 L CB -0.340 40.972 42.059 -1.246 0.000 0.915 258 L HN 0.097 nan 8.230 nan 0.000 0.445 259 L N -0.113 121.004 121.223 -0.176 0.000 2.013 259 L HA -0.185 4.155 4.340 -0.001 0.000 0.212 259 L C -0.064 176.862 176.870 0.094 0.000 1.073 259 L CA 1.647 56.519 54.840 0.053 0.000 0.753 259 L CB -2.173 39.970 42.059 0.140 0.000 0.890 259 L HN 0.257 nan 8.230 nan 0.000 0.432 260 P HA -0.200 nan 4.420 nan 0.000 0.216 260 P C 1.798 179.069 177.300 -0.049 0.000 1.150 260 P CA 1.360 64.435 63.100 -0.043 0.000 0.837 260 P CB -0.027 31.642 31.700 -0.052 0.000 0.786 261 L N -2.807 118.374 121.223 -0.069 0.000 2.395 261 L HA 0.018 4.357 4.340 -0.001 0.000 0.218 261 L C 1.825 178.675 176.870 -0.034 0.000 1.130 261 L CA 1.364 56.167 54.840 -0.063 0.000 0.826 261 L CB -0.803 41.202 42.059 -0.091 0.000 0.941 261 L HN -0.231 nan 8.230 nan 0.000 0.451 262 V N 0.403 120.320 119.914 0.004 0.000 2.407 262 V HA -0.176 3.944 4.120 -0.001 0.000 0.245 262 V C 2.668 178.842 176.094 0.132 0.000 1.041 262 V CA 1.887 64.240 62.300 0.088 0.000 1.040 262 V CB -0.494 31.420 31.823 0.152 0.000 0.671 262 V HN 0.584 nan 8.190 nan 0.000 0.455 263 K N 0.158 120.620 120.400 0.103 0.000 2.209 263 K HA -0.146 4.173 4.320 -0.001 0.000 0.204 263 K C 1.891 178.428 176.600 -0.106 0.000 1.048 263 K CA 1.373 57.581 56.287 -0.132 0.000 0.940 263 K CB -0.065 32.180 32.500 -0.424 0.000 0.729 263 K HN 0.346 nan 8.250 nan 0.000 0.451 264 V N 1.084 120.961 119.914 -0.061 0.000 2.548 264 V HA -0.186 3.934 4.120 -0.001 0.000 0.249 264 V C 2.074 178.148 176.094 -0.033 0.000 1.055 264 V CA 1.459 63.727 62.300 -0.053 0.000 1.065 264 V CB -0.206 31.592 31.823 -0.042 0.000 0.681 264 V HN 0.316 nan 8.190 nan 0.000 0.462 265 I N -0.451 120.113 120.570 -0.011 0.000 2.731 265 I HA 0.212 4.382 4.170 -0.001 0.000 0.260 265 I C 1.031 177.153 176.117 0.007 0.000 1.138 265 I CA 0.868 62.167 61.300 -0.002 0.000 1.461 265 I CB 0.124 38.129 38.000 0.009 0.000 1.128 265 I HN 0.242 nan 8.210 nan 0.000 0.438 266 A N 1.475 124.318 122.820 0.037 0.000 2.651 266 A HA 0.550 4.870 4.320 -0.001 0.000 0.290 266 A C -2.694 174.943 177.584 0.089 0.000 1.185 266 A CA -1.164 50.907 52.037 0.058 0.000 0.746 266 A CB 0.068 19.121 19.000 0.087 0.000 1.213 266 A HN -0.160 nan 8.150 nan 0.000 0.429 267 P HA 0.386 nan 4.420 nan 0.000 0.267 267 P C -0.624 176.655 177.300 -0.035 0.000 1.205 267 P CA 0.540 63.563 63.100 -0.128 0.000 0.765 267 P CB 0.032 31.661 31.700 -0.119 0.000 0.828 268 F N -0.251 119.660 119.950 -0.063 0.000 2.664 268 F HA 0.713 5.240 4.527 -0.001 0.000 0.329 268 F C 0.346 176.109 175.800 -0.062 0.000 1.090 268 F CA -1.595 56.362 58.000 -0.071 0.000 0.978 268 F CB 0.467 39.430 39.000 -0.061 0.000 1.378 268 F HN 0.100 nan 8.300 nan 0.000 0.495 269 S N -0.266 115.550 115.700 0.194 0.000 2.584 269 S HA 0.190 4.659 4.470 -0.001 0.000 0.270 269 S C 0.231 174.928 174.600 0.162 0.000 1.346 269 S CA 0.246 58.502 58.200 0.093 0.000 1.018 269 S CB 0.371 63.614 63.200 0.071 0.000 0.899 269 S HN 0.846 nan 8.310 nan 0.000 0.542 270 D N 1.032 121.462 120.400 0.050 0.000 2.469 270 D HA 0.108 4.748 4.640 -0.001 0.000 0.215 270 D C 0.073 176.396 176.300 0.038 0.000 1.154 270 D CA -0.232 53.798 54.000 0.050 0.000 0.832 270 D CB -0.035 40.749 40.800 -0.026 0.000 1.008 270 D HN 0.352 nan 8.370 nan 0.000 0.506 271 R N 0.346 120.874 120.500 0.048 0.000 2.442 271 R HA 0.515 4.854 4.340 -0.001 0.000 0.291 271 R C 0.790 177.126 176.300 0.061 0.000 1.069 271 R CA 0.295 56.422 56.100 0.044 0.000 1.022 271 R CB 1.191 31.518 30.300 0.045 0.000 0.976 271 R HN 0.151 nan 8.270 nan 0.000 0.443 272 A N 2.610 125.456 122.820 0.044 0.000 2.178 272 A HA -0.090 4.229 4.320 -0.001 0.000 0.211 272 A C 1.224 178.858 177.584 0.083 0.000 1.157 272 A CA 0.635 52.700 52.037 0.046 0.000 0.780 272 A CB 0.004 19.013 19.000 0.015 0.000 0.828 272 A HN 0.841 nan 8.150 nan 0.000 0.476 273 D N 0.402 120.854 120.400 0.086 0.000 2.355 273 D HA -0.128 4.511 4.640 -0.001 0.000 0.218 273 D C 1.279 177.673 176.300 0.157 0.000 1.004 273 D CA 0.725 54.788 54.000 0.104 0.000 0.880 273 D CB -0.289 40.562 40.800 0.085 0.000 0.911 273 D HN 0.683 nan 8.370 nan 0.000 0.528 274 R N -0.625 119.986 120.500 0.185 0.000 2.565 274 R HA 0.217 4.557 4.340 -0.001 0.000 0.347 274 R C -0.405 176.120 176.300 0.375 0.000 1.010 274 R CA -0.441 55.846 56.100 0.311 0.000 1.126 274 R CB -0.219 30.212 30.300 0.219 0.000 1.331 274 R HN -0.202 nan 8.270 nan 0.000 0.552 275 T N 1.707 116.403 114.554 0.237 0.000 2.733 275 T HA 0.331 4.680 4.350 -0.001 0.000 0.294 275 T C -0.400 174.420 174.700 0.200 0.000 0.956 275 T CA -0.300 61.932 62.100 0.221 0.000 0.987 275 T CB 1.949 70.907 68.868 0.150 0.000 0.920 275 T HN -0.063 nan 8.240 nan 0.000 0.470 276 V N 4.531 124.536 119.914 0.152 0.000 2.472 276 V HA 0.442 4.562 4.120 -0.001 0.000 0.290 276 V C -0.048 176.062 176.094 0.028 0.000 1.037 276 V CA -0.681 61.613 62.300 -0.010 0.000 0.908 276 V CB 1.862 33.506 31.823 -0.299 0.000 0.985 276 V HN 0.646 nan 8.190 nan 0.000 0.454 277 V N 4.260 124.151 119.914 -0.038 0.000 2.378 277 V HA 0.792 4.912 4.120 -0.001 0.000 0.288 277 V C 0.204 176.251 176.094 -0.078 0.000 1.016 277 V CA -0.412 61.835 62.300 -0.089 0.000 0.840 277 V CB 1.522 33.143 31.823 -0.337 0.000 0.994 277 V HN 0.985 nan 8.190 nan 0.000 0.431 278 A N 3.780 126.573 122.820 -0.045 0.000 2.343 278 A HA 1.005 5.324 4.320 -0.001 0.000 0.316 278 A C 0.059 177.615 177.584 -0.046 0.000 1.104 278 A CA -0.064 51.921 52.037 -0.086 0.000 0.768 278 A CB 1.765 20.672 19.000 -0.155 0.000 1.213 278 A HN 1.174 nan 8.150 nan 0.000 0.456 279 G N 0.545 109.295 108.800 -0.083 0.000 2.677 279 G HA2 0.577 4.536 3.960 -0.001 0.000 0.291 279 G HA3 0.577 4.536 3.960 -0.001 0.000 0.291 279 G C -1.760 173.000 174.900 -0.233 0.000 1.435 279 G CA -0.582 44.468 45.100 -0.085 0.000 0.826 279 G HN 0.705 nan 8.290 nan 0.000 0.491 280 Q N 0.059 119.650 119.800 -0.349 0.000 2.377 280 Q HA 0.689 5.028 4.340 -0.001 0.000 0.271 280 Q C 0.827 176.496 176.000 -0.552 0.000 1.077 280 Q CA 0.068 55.422 55.803 -0.747 0.000 0.820 280 Q CB 2.138 29.966 28.738 -1.516 0.000 1.347 280 Q HN 1.514 nan 8.270 nan 0.000 0.444 281 S N 0.293 115.716 115.700 -0.462 0.000 4.150 281 S HA -0.373 4.097 4.470 -0.001 0.000 0.541 281 S C 1.151 175.719 174.600 -0.053 0.000 1.860 281 S CA 1.673 59.807 58.200 -0.109 0.000 4.226 281 S CB -1.363 61.875 63.200 0.063 0.000 0.445 281 S HN 0.519 nan 8.310 nan 0.000 0.470 282 F N 3.353 123.211 119.950 -0.152 0.000 2.269 282 F HA 0.167 4.694 4.527 -0.001 0.000 0.301 282 F C 2.923 178.575 175.800 -0.246 0.000 1.082 282 F CA 0.756 58.607 58.000 -0.247 0.000 1.360 282 F CB -1.746 37.126 39.000 -0.214 0.000 1.041 282 F HN 0.688 nan 8.300 nan 0.000 0.512 283 G N -0.663 108.132 108.800 -0.009 0.000 2.421 283 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.217 283 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.217 283 G C 2.034 176.907 174.900 -0.044 0.000 1.143 283 G CA 0.724 45.810 45.100 -0.023 0.000 0.784 283 G HN 0.489 nan 8.290 nan 0.000 0.541 284 G N 1.120 109.842 108.800 -0.130 0.000 2.404 284 G HA2 -0.102 3.858 3.960 -0.001 0.000 0.214 284 G HA3 -0.102 3.858 3.960 -0.001 0.000 0.214 284 G C 1.742 176.584 174.900 -0.098 0.000 1.189 284 G CA 0.989 46.021 45.100 -0.112 0.000 0.789 284 G HN 0.415 nan 8.290 nan 0.000 0.533 285 L N 1.162 122.195 121.223 -0.316 0.000 2.021 285 L HA -0.106 4.233 4.340 -0.001 0.000 0.215 285 L C 2.742 179.570 176.870 -0.070 0.000 1.074 285 L CA 2.860 57.477 54.840 -0.372 0.000 0.760 285 L CB -0.925 40.825 42.059 -0.515 0.000 0.889 285 L HN 0.218 nan 8.230 nan 0.000 0.433 286 S N -1.053 114.620 115.700 -0.044 0.000 2.368 286 S HA -0.104 4.366 4.470 -0.001 0.000 0.224 286 S C 2.113 176.845 174.600 0.219 0.000 1.029 286 S CA 1.081 59.372 58.200 0.152 0.000 0.988 286 S CB -0.502 62.823 63.200 0.209 0.000 0.838 286 S HN 0.724 nan 8.310 nan 0.000 0.462 287 A N 1.244 124.131 122.820 0.112 0.000 1.902 287 A HA -0.025 4.294 4.320 -0.001 0.000 0.217 287 A C 2.126 179.667 177.584 -0.070 0.000 1.181 287 A CA 1.664 53.686 52.037 -0.026 0.000 0.623 287 A CB -0.874 18.120 19.000 -0.010 0.000 0.818 287 A HN 0.550 nan 8.150 nan 0.000 0.443 288 L N -1.701 119.564 121.223 0.071 0.000 2.056 288 L HA -0.108 4.232 4.340 -0.001 0.000 0.207 288 L C 2.300 179.240 176.870 0.116 0.000 1.078 288 L CA 2.243 57.152 54.840 0.115 0.000 0.749 288 L CB -0.862 41.348 42.059 0.252 0.000 0.901 288 L HN 0.535 nan 8.230 nan 0.000 0.433 289 Y N 0.100 120.422 120.300 0.036 0.000 2.274 289 Y HA -0.200 4.349 4.550 -0.001 0.000 0.290 289 Y C 2.289 178.219 175.900 0.050 0.000 1.145 289 Y CA 1.629 59.778 58.100 0.081 0.000 1.203 289 Y CB -0.374 38.119 38.460 0.056 0.000 0.984 289 Y HN 0.241 nan 8.280 nan 0.000 0.533 290 A N -0.191 122.492 122.820 -0.229 0.000 1.969 290 A HA -0.027 4.293 4.320 -0.001 0.000 0.218 290 A C 2.378 179.952 177.584 -0.016 0.000 1.169 290 A CA 1.519 53.263 52.037 -0.489 0.000 0.635 290 A CB -1.429 16.472 19.000 -1.831 0.000 0.810 290 A HN 0.573 nan 8.150 nan 0.000 0.445 291 G N -0.756 108.008 108.800 -0.060 0.000 2.539 291 G HA2 0.053 4.012 3.960 -0.001 0.000 0.215 291 G HA3 0.053 4.012 3.960 -0.001 0.000 0.215 291 G C 1.462 176.354 174.900 -0.013 0.000 1.141 291 G CA 0.517 45.644 45.100 0.046 0.000 0.806 291 G HN 0.384 nan 8.290 nan 0.000 0.533 292 L N -0.403 120.778 121.223 -0.070 0.000 2.083 292 L HA -0.063 4.277 4.340 -0.001 0.000 0.209 292 L C 2.492 179.110 176.870 -0.421 0.000 1.083 292 L CA 1.204 55.930 54.840 -0.189 0.000 0.752 292 L CB -0.219 41.759 42.059 -0.135 0.000 0.899 292 L HN 0.260 nan 8.230 nan 0.000 0.433 293 H N -3.261 115.491 119.070 -0.529 0.000 2.604 293 H HA 0.091 4.646 4.556 -0.001 0.000 0.273 293 H C 0.179 174.950 175.328 -0.928 0.000 0.971 293 H CA 0.370 55.836 56.048 -0.971 0.000 1.249 293 H CB 0.520 29.176 29.762 -1.843 0.000 1.449 293 H HN 0.183 nan 8.280 nan 0.000 0.512 294 W N 1.232 122.543 121.300 0.019 0.000 1.506 294 W HA 0.263 4.923 4.660 -0.001 0.000 0.296 294 W C -2.396 174.135 176.519 0.020 0.000 0.847 294 W CA -1.700 55.669 57.345 0.039 0.000 2.203 294 W CB 0.587 30.113 29.460 0.111 0.000 2.219 294 W HN 0.142 nan 8.180 nan 0.000 0.464 295 P HA -0.169 nan 4.420 nan 0.000 0.234 295 P C 1.592 178.920 177.300 0.046 0.000 1.167 295 P CA 1.517 64.661 63.100 0.073 0.000 0.763 295 P CB 0.138 31.843 31.700 0.009 0.000 0.835 296 E N -0.049 120.177 120.200 0.043 0.000 2.358 296 E HA -0.128 4.222 4.350 -0.001 0.000 0.195 296 E C 1.794 178.366 176.600 -0.047 0.000 1.010 296 E CA 0.827 57.233 56.400 0.010 0.000 0.856 296 E CB -0.126 29.590 29.700 0.027 0.000 0.795 296 E HN 0.152 nan 8.360 nan 0.000 0.504 297 R N 0.041 120.462 120.500 -0.132 0.000 2.243 297 R HA 0.218 4.557 4.340 -0.001 0.000 0.193 297 R C -0.259 175.740 176.300 -0.500 0.000 0.933 297 R CA 0.388 56.246 56.100 -0.403 0.000 1.105 297 R CB 0.348 30.229 30.300 -0.698 0.000 1.169 297 R HN 0.036 nan 8.270 nan 0.000 0.599 298 F N -0.051 119.931 119.950 0.053 0.000 2.366 298 F HA 0.474 5.001 4.527 -0.001 0.000 0.366 298 F C 1.016 176.823 175.800 0.011 0.000 1.096 298 F CA -0.752 57.255 58.000 0.011 0.000 1.060 298 F CB 2.277 41.242 39.000 -0.059 0.000 1.282 298 F HN 0.145 nan 8.300 nan 0.000 0.450 299 G N 0.938 109.835 108.800 0.162 0.000 3.159 299 G HA2 0.147 4.107 3.960 -0.001 0.000 0.232 299 G HA3 0.147 4.107 3.960 -0.001 0.000 0.232 299 G C -0.383 174.573 174.900 0.093 0.000 1.116 299 G CA 0.129 45.293 45.100 0.107 0.000 0.767 299 G HN 0.579 nan 8.290 nan 0.000 0.547 300 C N 0.804 120.160 119.300 0.093 0.000 2.369 300 C HA 0.691 5.150 4.460 -0.001 0.000 0.322 300 C C -0.157 174.835 174.990 0.004 0.000 1.258 300 C CA -0.851 58.190 59.018 0.038 0.000 1.487 300 C CB 0.955 28.686 27.740 -0.015 0.000 2.165 300 C HN 0.048 nan 8.230 nan 0.000 0.483 301 V N 4.803 124.720 119.914 0.006 0.000 2.448 301 V HA 0.506 4.626 4.120 -0.001 0.000 0.295 301 V C -0.592 175.490 176.094 -0.020 0.000 1.025 301 V CA -0.402 61.893 62.300 -0.009 0.000 0.859 301 V CB 1.629 33.468 31.823 0.026 0.000 0.988 301 V HN 0.635 nan 8.190 nan 0.000 0.431 302 L N 5.412 126.597 121.223 -0.063 0.000 2.337 302 L HA 0.612 4.951 4.340 -0.001 0.000 0.269 302 L C -0.044 176.785 176.870 -0.069 0.000 1.018 302 L CA 0.175 54.962 54.840 -0.088 0.000 0.876 302 L CB 1.358 43.317 42.059 -0.166 0.000 1.236 302 L HN 0.626 nan 8.230 nan 0.000 0.436 303 S N 4.983 120.673 115.700 -0.017 0.000 2.448 303 S HA 0.601 5.071 4.470 -0.001 0.000 0.320 303 S C -0.614 173.960 174.600 -0.043 0.000 1.071 303 S CA -0.470 57.736 58.200 0.010 0.000 1.113 303 S CB 0.482 63.787 63.200 0.176 0.000 0.972 303 S HN 0.720 nan 8.310 nan 0.000 0.465 304 Q N 2.852 122.551 119.800 -0.169 0.000 2.316 304 Q HA 0.436 4.775 4.340 -0.001 0.000 0.264 304 Q C 0.063 175.903 176.000 -0.267 0.000 0.987 304 Q CA -0.769 54.889 55.803 -0.241 0.000 0.852 304 Q CB 1.734 30.217 28.738 -0.425 0.000 1.287 304 Q HN 0.827 nan 8.270 nan 0.000 0.448 305 S N 0.923 116.605 115.700 -0.031 0.000 3.486 305 S HA -0.194 4.275 4.470 -0.001 0.000 0.371 305 S C 0.517 175.177 174.600 0.100 0.000 1.001 305 S CA 0.364 58.653 58.200 0.148 0.000 1.164 305 S CB -1.333 62.096 63.200 0.382 0.000 0.911 305 S HN 0.920 nan 8.310 nan 0.000 0.472 306 G N 0.912 109.747 108.800 0.058 0.000 2.353 306 G HA2 0.323 4.282 3.960 -0.001 0.000 0.239 306 G HA3 0.323 4.282 3.960 -0.001 0.000 0.239 306 G C 0.219 174.951 174.900 -0.281 0.000 1.295 306 G CA -0.331 44.634 45.100 -0.225 0.000 0.884 306 G HN 0.516 nan 8.290 nan 0.000 0.537 307 S N 1.957 117.438 115.700 -0.364 0.000 4.069 307 S HA 0.098 4.567 4.470 -0.001 0.000 0.192 307 S C 0.200 174.446 174.600 -0.590 0.000 1.441 307 S CA -0.304 57.730 58.200 -0.276 0.000 0.994 307 S CB -0.302 62.868 63.200 -0.049 0.000 1.456 307 S HN 0.582 nan 8.310 nan 0.000 0.458 308 Y N 0.496 120.785 120.300 -0.018 0.000 2.502 308 Y HA 0.028 4.577 4.550 -0.001 0.000 0.295 308 Y C 1.794 177.762 175.900 0.114 0.000 1.193 308 Y CA -0.668 57.456 58.100 0.041 0.000 1.295 308 Y CB -0.478 38.065 38.460 0.137 0.000 1.059 308 Y HN 0.764 nan 8.280 nan 0.000 0.514 309 W N -1.959 119.532 121.300 0.318 0.000 2.584 309 W HA -0.067 4.593 4.660 -0.000 0.000 0.264 309 W C 0.282 176.937 176.519 0.227 0.000 1.264 309 W CA -0.973 56.527 57.345 0.259 0.000 1.306 309 W CB -1.132 28.451 29.460 0.205 0.000 1.110 309 W HN 0.166 nan 8.180 nan 0.000 0.606 310 W N 6.689 127.565 121.300 -0.706 0.000 2.385 310 W HA -0.036 4.624 4.660 -0.001 0.000 0.336 310 W C -1.488 174.824 176.519 -0.344 0.000 1.351 310 W CA -0.838 56.058 57.345 -0.748 0.000 1.295 310 W CB 0.699 29.605 29.460 -0.924 0.000 1.239 310 W HN -0.231 nan 8.180 nan 0.000 0.565 311 P HA 0.003 nan 4.420 nan 0.000 0.272 311 P C -0.620 176.491 177.300 -0.315 0.000 1.408 311 P CA 0.319 62.605 63.100 -1.357 0.000 0.996 311 P CB 0.236 30.832 31.700 -1.840 0.000 1.481 312 H N 1.471 120.649 119.070 0.180 0.000 2.911 312 H HA 0.170 4.726 4.556 -0.001 0.000 0.273 312 H C 1.588 177.071 175.328 0.258 0.000 1.157 312 H CA 0.014 56.173 56.048 0.185 0.000 1.402 312 H CB 0.684 30.518 29.762 0.120 0.000 1.463 312 H HN 0.234 nan 8.280 nan 0.000 0.475 313 R N 1.597 122.179 120.500 0.138 0.000 2.152 313 R HA -0.067 4.273 4.340 -0.001 0.000 0.232 313 R C 1.970 178.165 176.300 -0.175 0.000 1.117 313 R CA 1.200 57.154 56.100 -0.244 0.000 0.981 313 R CB -0.450 29.704 30.300 -0.245 0.000 0.870 313 R HN 0.467 nan 8.270 nan 0.000 0.451 314 G N 0.337 109.129 108.800 -0.015 0.000 2.442 314 G HA2 -0.058 3.902 3.960 -0.001 0.000 0.219 314 G HA3 -0.058 3.902 3.960 -0.001 0.000 0.219 314 G C 1.337 176.241 174.900 0.006 0.000 1.141 314 G CA 0.958 46.051 45.100 -0.012 0.000 0.763 314 G HN 0.676 nan 8.290 nan 0.000 0.554 315 G N -0.897 107.950 108.800 0.079 0.000 2.179 315 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.260 315 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.260 315 G C 1.139 176.096 174.900 0.095 0.000 0.977 315 G CA 0.990 46.157 45.100 0.113 0.000 0.641 315 G HN 0.543 nan 8.290 nan 0.000 0.533 316 Q N -0.618 119.217 119.800 0.059 0.000 2.250 316 Q HA 0.104 4.443 4.340 -0.001 0.000 0.200 316 Q C 1.442 177.456 176.000 0.024 0.000 0.941 316 Q CA 0.797 56.620 55.803 0.033 0.000 0.872 316 Q CB 0.209 28.950 28.738 0.006 0.000 0.965 316 Q HN 0.691 nan 8.270 nan 0.000 0.480 317 Q N 1.427 121.231 119.800 0.007 0.000 2.257 317 Q HA 0.097 4.437 4.340 -0.001 0.000 0.255 317 Q C -0.897 175.164 176.000 0.101 0.000 0.920 317 Q CA -0.241 55.530 55.803 -0.053 0.000 0.927 317 Q CB 1.193 29.718 28.738 -0.355 0.000 1.229 317 Q HN 0.056 nan 8.270 nan 0.000 0.433 318 E N 2.525 122.792 120.200 0.111 0.000 2.529 318 E HA 0.024 4.373 4.350 -0.001 0.000 0.259 318 E C -0.277 176.516 176.600 0.323 0.000 0.966 318 E CA 0.086 56.600 56.400 0.191 0.000 0.937 318 E CB 0.388 30.167 29.700 0.131 0.000 0.923 318 E HN 0.781 nan 8.360 nan 0.000 0.468 319 G N 2.394 111.396 108.800 0.338 0.000 2.554 319 G HA2 0.065 4.024 3.960 -0.001 0.000 0.238 319 G HA3 0.065 4.024 3.960 -0.001 0.000 0.238 319 G C 1.138 176.189 174.900 0.253 0.000 1.259 319 G CA -0.021 45.268 45.100 0.314 0.000 0.843 319 G HN 0.654 nan 8.290 nan 0.000 0.582 320 V N 1.631 121.663 119.914 0.196 0.000 2.469 320 V HA -0.176 3.943 4.120 -0.001 0.000 0.251 320 V C 2.477 178.701 176.094 0.216 0.000 1.064 320 V CA 1.956 64.375 62.300 0.198 0.000 1.066 320 V CB -0.946 30.983 31.823 0.178 0.000 0.667 320 V HN 0.598 nan 8.190 nan 0.000 0.461 321 L N -0.818 120.554 121.223 0.249 0.000 2.046 321 L HA -0.087 4.253 4.340 -0.001 0.000 0.208 321 L C 2.482 179.462 176.870 0.184 0.000 1.077 321 L CA 1.915 56.902 54.840 0.245 0.000 0.747 321 L CB -0.233 42.007 42.059 0.302 0.000 0.896 321 L HN 0.317 nan 8.230 nan 0.000 0.432 322 L N -0.186 121.141 121.223 0.174 0.000 2.046 322 L HA -0.245 4.094 4.340 -0.001 0.000 0.208 322 L C 2.570 179.501 176.870 0.101 0.000 1.077 322 L CA 1.715 56.624 54.840 0.115 0.000 0.747 322 L CB -0.423 41.711 42.059 0.125 0.000 0.896 322 L HN 0.338 nan 8.230 nan 0.000 0.432 323 E N -0.485 119.790 120.200 0.125 0.000 2.077 323 E HA -0.260 4.089 4.350 -0.001 0.000 0.193 323 E C 2.117 178.771 176.600 0.089 0.000 0.989 323 E CA 1.209 57.673 56.400 0.106 0.000 0.800 323 E CB 0.098 29.874 29.700 0.128 0.000 0.746 323 E HN 0.441 nan 8.360 nan 0.000 0.452 324 K N 0.094 120.559 120.400 0.108 0.000 2.148 324 K HA -0.094 4.225 4.320 -0.001 0.000 0.204 324 K C 2.219 178.851 176.600 0.055 0.000 1.050 324 K CA 0.623 56.966 56.287 0.094 0.000 0.942 324 K CB 0.028 32.611 32.500 0.137 0.000 0.724 324 K HN 0.148 nan 8.250 nan 0.000 0.446 325 L N 1.510 122.765 121.223 0.052 0.000 2.005 325 L HA -0.165 4.175 4.340 -0.001 0.000 0.207 325 L C 2.485 179.361 176.870 0.010 0.000 1.072 325 L CA 1.107 55.958 54.840 0.018 0.000 0.744 325 L CB -0.479 41.589 42.059 0.016 0.000 0.895 325 L HN 0.131 nan 8.230 nan 0.000 0.433 326 K N 1.159 121.571 120.400 0.021 0.000 2.442 326 K HA -0.067 4.252 4.320 -0.001 0.000 0.198 326 K C 1.262 177.870 176.600 0.013 0.000 1.042 326 K CA 1.505 57.800 56.287 0.014 0.000 0.958 326 K CB 0.060 32.572 32.500 0.019 0.000 0.766 326 K HN 0.263 nan 8.250 nan 0.000 0.474 327 A N 0.364 123.195 122.820 0.019 0.000 2.390 327 A HA 0.390 4.710 4.320 -0.001 0.000 0.232 327 A C 1.225 178.813 177.584 0.006 0.000 1.233 327 A CA 0.417 52.464 52.037 0.017 0.000 0.907 327 A CB -0.100 18.917 19.000 0.029 0.000 0.967 327 A HN 0.471 nan 8.150 nan 0.000 0.512 328 G N -0.030 108.769 108.800 -0.002 0.000 2.179 328 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.257 328 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.257 328 G C 0.463 175.349 174.900 -0.023 0.000 1.010 328 G CA 0.797 45.886 45.100 -0.017 0.000 0.736 328 G HN 0.599 nan 8.290 nan 0.000 0.513 329 E N -1.204 118.989 120.200 -0.012 0.000 2.318 329 E HA 0.287 4.636 4.350 -0.001 0.000 0.193 329 E C 1.228 177.793 176.600 -0.058 0.000 0.998 329 E CA 1.041 57.433 56.400 -0.014 0.000 0.859 329 E CB 0.383 30.097 29.700 0.023 0.000 0.812 329 E HN 0.854 nan 8.360 nan 0.000 0.492 330 V N -1.545 118.325 119.914 -0.074 0.000 3.040 330 V HA 0.691 4.811 4.120 -0.001 0.000 0.312 330 V C -0.418 175.601 176.094 -0.125 0.000 1.115 330 V CA -1.091 61.111 62.300 -0.164 0.000 0.998 330 V CB 1.984 33.677 31.823 -0.217 0.000 1.042 330 V HN 0.033 nan 8.190 nan 0.000 0.433 331 S N 0.670 116.274 115.700 -0.159 0.000 2.627 331 S HA 0.877 5.346 4.470 -0.001 0.000 0.283 331 S C -0.152 174.378 174.600 -0.116 0.000 1.127 331 S CA -0.239 57.894 58.200 -0.112 0.000 0.863 331 S CB 1.925 65.066 63.200 -0.099 0.000 1.121 331 S HN 2.177 nan 8.310 nan 0.000 0.479 332 A N 0.928 123.700 122.820 -0.080 0.000 3.159 332 A HA 0.496 4.815 4.320 -0.001 0.000 0.301 332 A C -0.036 177.516 177.584 -0.054 0.000 1.271 332 A CA -0.482 51.517 52.037 -0.063 0.000 0.998 332 A CB -0.338 18.639 19.000 -0.040 0.000 1.101 332 A HN 0.627 nan 8.150 nan 0.000 0.610 333 E N -0.162 119.999 120.200 -0.065 0.000 2.227 333 E HA 0.464 4.813 4.350 -0.001 0.000 0.282 333 E C 0.913 177.490 176.600 -0.037 0.000 1.015 333 E CA 0.591 56.961 56.400 -0.051 0.000 0.823 333 E CB 1.333 30.999 29.700 -0.057 0.000 1.081 333 E HN 0.877 nan 8.360 nan 0.000 0.396 334 G N 2.681 111.468 108.800 -0.021 0.000 2.131 334 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.223 334 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.223 334 G C -0.071 174.837 174.900 0.014 0.000 0.990 334 G CA -0.226 44.871 45.100 -0.004 0.000 0.671 334 G HN 0.358 nan 8.290 nan 0.000 0.521 335 L N 0.122 121.351 121.223 0.011 0.000 2.346 335 L HA 0.669 5.009 4.340 -0.001 0.000 0.276 335 L C 0.555 177.448 176.870 0.038 0.000 1.006 335 L CA -0.972 53.885 54.840 0.029 0.000 0.817 335 L CB 1.822 43.893 42.059 0.021 0.000 1.272 335 L HN 0.069 nan 8.230 nan 0.000 0.421 336 R N 3.580 124.119 120.500 0.065 0.000 2.445 336 R HA 0.719 5.059 4.340 -0.001 0.000 0.308 336 R C -1.155 175.220 176.300 0.125 0.000 0.961 336 R CA -0.634 55.522 56.100 0.094 0.000 0.862 336 R CB 2.131 32.510 30.300 0.133 0.000 1.144 336 R HN 0.490 nan 8.270 nan 0.000 0.447 337 I N 2.648 123.315 120.570 0.162 0.000 2.478 337 I HA 0.245 4.414 4.170 -0.001 0.000 0.287 337 I C -0.452 175.831 176.117 0.276 0.000 1.042 337 I CA -1.031 60.370 61.300 0.169 0.000 1.067 337 I CB 2.249 40.331 38.000 0.136 0.000 1.233 337 I HN 0.190 nan 8.210 nan 0.000 0.431 338 V N 6.860 126.895 119.914 0.202 0.000 2.432 338 V HA 0.269 4.388 4.120 -0.001 0.000 0.271 338 V C -0.292 175.858 176.094 0.094 0.000 1.046 338 V CA -0.342 62.054 62.300 0.160 0.000 0.945 338 V CB 1.381 33.183 31.823 -0.036 0.000 0.992 338 V HN 0.404 nan 8.190 nan 0.000 0.471 339 L N 5.838 127.123 121.223 0.104 0.000 2.388 339 L HA 0.563 4.903 4.340 -0.001 0.000 0.267 339 L C -0.337 176.438 176.870 -0.157 0.000 0.995 339 L CA 0.155 55.041 54.840 0.076 0.000 0.864 339 L CB 1.356 43.567 42.059 0.253 0.000 1.216 339 L HN 0.813 nan 8.230 nan 0.000 0.430 340 E N 4.332 124.431 120.200 -0.168 0.000 2.238 340 E HA 0.890 5.240 4.350 -0.001 0.000 0.267 340 E C -1.675 174.810 176.600 -0.192 0.000 0.887 340 E CA -0.721 55.508 56.400 -0.285 0.000 0.769 340 E CB 2.005 31.599 29.700 -0.177 0.000 1.187 340 E HN 0.700 nan 8.360 nan 0.000 0.416 341 A N 2.395 125.065 122.820 -0.250 0.000 2.609 341 A HA 0.766 5.085 4.320 -0.001 0.000 0.291 341 A C -0.703 176.856 177.584 -0.042 0.000 1.096 341 A CA -0.295 51.715 52.037 -0.045 0.000 0.684 341 A CB 1.591 20.615 19.000 0.040 0.000 1.282 341 A HN 0.643 nan 8.150 nan 0.000 0.412 342 G N -0.544 108.291 108.800 0.059 0.000 2.432 342 G HA2 0.527 4.487 3.960 -0.001 0.000 0.331 342 G HA3 0.527 4.487 3.960 -0.001 0.000 0.331 342 G C 0.816 175.752 174.900 0.060 0.000 1.170 342 G CA -0.112 45.012 45.100 0.040 0.000 0.943 342 G HN 1.391 nan 8.290 nan 0.000 0.483 343 I N -1.176 119.421 120.570 0.046 0.000 2.676 343 I HA 0.044 4.213 4.170 -0.001 0.000 0.259 343 I C 1.729 177.884 176.117 0.064 0.000 1.194 343 I CA 0.597 61.934 61.300 0.063 0.000 1.473 343 I CB -0.006 38.028 38.000 0.056 0.000 1.096 343 I HN 0.327 nan 8.210 nan 0.000 0.443 344 R N 2.033 122.567 120.500 0.057 0.000 2.356 344 R HA 0.115 4.455 4.340 -0.001 0.000 0.234 344 R C -0.191 176.140 176.300 0.053 0.000 0.929 344 R CA 0.197 56.329 56.100 0.054 0.000 1.084 344 R CB -0.043 30.292 30.300 0.058 0.000 1.105 344 R HN 0.646 nan 8.270 nan 0.000 0.515 345 E N -0.811 119.434 120.200 0.076 0.000 3.303 345 E HA 0.217 4.566 4.350 -0.001 0.000 0.215 345 E C -2.520 174.140 176.600 0.099 0.000 1.181 345 E CA -1.982 54.472 56.400 0.090 0.000 0.998 345 E CB 1.271 31.064 29.700 0.154 0.000 1.312 345 E HN -0.148 nan 8.360 nan 0.000 0.412 346 P HA -0.256 nan 4.420 nan 0.000 0.215 346 P C 1.584 178.947 177.300 0.104 0.000 1.163 346 P CA 1.168 64.320 63.100 0.086 0.000 0.894 346 P CB 0.039 31.776 31.700 0.060 0.000 0.791 347 M N -1.166 118.482 119.600 0.080 0.000 2.149 347 M HA -0.147 4.332 4.480 -0.001 0.000 0.261 347 M C 1.634 178.037 176.300 0.170 0.000 1.064 347 M CA 1.980 57.336 55.300 0.092 0.000 1.102 347 M CB -0.793 31.820 32.600 0.020 0.000 1.369 347 M HN -0.138 nan 8.290 nan 0.000 0.408 348 I N -0.157 120.524 120.570 0.186 0.000 2.286 348 I HA -0.281 3.889 4.170 -0.001 0.000 0.245 348 I C 2.558 178.845 176.117 0.283 0.000 1.104 348 I CA 1.011 62.478 61.300 0.279 0.000 1.397 348 I CB -1.180 36.992 38.000 0.286 0.000 1.072 348 I HN 0.425 nan 8.210 nan 0.000 0.417 349 M N 0.479 120.217 119.600 0.229 0.000 2.088 349 M HA -0.324 4.156 4.480 -0.001 0.000 0.256 349 M C 2.466 178.932 176.300 0.277 0.000 1.071 349 M CA 2.090 57.532 55.300 0.237 0.000 1.097 349 M CB -0.232 32.478 32.600 0.184 0.000 1.315 349 M HN 0.023 nan 8.290 nan 0.000 0.406 350 R N 0.255 120.890 120.500 0.226 0.000 2.083 350 R HA -0.085 4.255 4.340 -0.001 0.000 0.237 350 R C 2.221 178.662 176.300 0.236 0.000 1.137 350 R CA 2.038 58.261 56.100 0.206 0.000 0.951 350 R CB -1.219 29.178 30.300 0.161 0.000 0.851 350 R HN 0.626 nan 8.270 nan 0.000 0.434 351 A N 0.633 123.624 122.820 0.285 0.000 1.902 351 A HA -0.150 4.170 4.320 -0.001 0.000 0.217 351 A C 1.866 179.645 177.584 0.325 0.000 1.181 351 A CA 1.636 53.869 52.037 0.326 0.000 0.623 351 A CB -0.537 18.723 19.000 0.433 0.000 0.818 351 A HN 0.367 nan 8.150 nan 0.000 0.443 352 N N -0.556 118.379 118.700 0.391 0.000 2.188 352 N HA -0.163 4.577 4.740 -0.001 0.000 0.184 352 N C 1.961 177.734 175.510 0.439 0.000 1.018 352 N CA 1.432 54.740 53.050 0.429 0.000 0.858 352 N CB -0.188 38.597 38.487 0.496 0.000 0.989 352 N HN 0.645 nan 8.380 nan 0.000 0.426 353 Q N 0.584 120.619 119.800 0.392 0.000 2.079 353 Q HA -0.008 4.332 4.340 -0.001 0.000 0.200 353 Q C 2.119 178.159 176.000 0.065 0.000 0.974 353 Q CA 1.313 57.208 55.803 0.154 0.000 0.840 353 Q CB -0.059 28.787 28.738 0.180 0.000 0.898 353 Q HN 0.348 nan 8.270 nan 0.000 0.430 354 A N 0.580 123.466 122.820 0.109 0.000 1.969 354 A HA -0.159 4.161 4.320 -0.001 0.000 0.218 354 A C 1.985 179.588 177.584 0.033 0.000 1.169 354 A CA 0.981 53.057 52.037 0.065 0.000 0.635 354 A CB -0.462 18.597 19.000 0.097 0.000 0.810 354 A HN 0.361 nan 8.150 nan 0.000 0.445 355 L N -1.717 119.533 121.223 0.044 0.000 2.027 355 L HA -0.089 4.251 4.340 -0.001 0.000 0.206 355 L C 2.289 179.154 176.870 -0.008 0.000 1.074 355 L CA 2.272 57.091 54.840 -0.035 0.000 0.745 355 L CB -0.828 41.104 42.059 -0.211 0.000 0.898 355 L HN 0.515 nan 8.230 nan 0.000 0.433 356 Y N 0.059 120.286 120.300 -0.122 0.000 2.181 356 Y HA -0.212 4.338 4.550 -0.001 0.000 0.288 356 Y C 2.369 178.160 175.900 -0.181 0.000 1.146 356 Y CA 1.753 59.732 58.100 -0.201 0.000 1.164 356 Y CB -0.229 37.889 38.460 -0.569 0.000 0.982 356 Y HN 0.266 nan 8.280 nan 0.000 0.515 357 A N -0.197 122.480 122.820 -0.238 0.000 2.070 357 A HA -0.241 4.078 4.320 -0.001 0.000 0.220 357 A C 2.020 179.496 177.584 -0.181 0.000 1.159 357 A CA 1.803 53.687 52.037 -0.256 0.000 0.656 357 A CB -0.691 18.223 19.000 -0.144 0.000 0.800 357 A HN 0.652 nan 8.150 nan 0.000 0.453 358 Q N -0.338 119.387 119.800 -0.125 0.000 2.250 358 Q HA 0.162 4.502 4.340 -0.001 0.000 0.200 358 Q C 1.411 177.363 176.000 -0.079 0.000 0.941 358 Q CA 0.945 56.703 55.803 -0.075 0.000 0.872 358 Q CB -0.344 28.369 28.738 -0.042 0.000 0.965 358 Q HN 0.539 nan 8.270 nan 0.000 0.480 359 L N 0.897 122.045 121.223 -0.125 0.000 2.645 359 L HA 0.018 4.358 4.340 -0.001 0.000 0.235 359 L C 1.562 178.318 176.870 -0.190 0.000 1.150 359 L CA 0.491 55.258 54.840 -0.123 0.000 0.911 359 L CB -0.605 41.411 42.059 -0.071 0.000 1.077 359 L HN 0.461 nan 8.230 nan 0.000 0.438 360 H N 1.947 120.830 119.070 -0.312 0.000 2.325 360 H HA -0.195 4.361 4.556 -0.001 0.000 0.293 360 H C -0.699 174.511 175.328 -0.196 0.000 1.106 360 H CA 2.175 58.034 56.048 -0.315 0.000 1.247 360 H CB -1.022 28.584 29.762 -0.259 0.000 1.359 360 H HN 0.096 nan 8.280 nan 0.000 0.488 361 P HA -0.171 nan 4.420 nan 0.000 0.219 361 P C 0.312 177.450 177.300 -0.270 0.000 1.145 361 P CA 2.362 65.282 63.100 -0.299 0.000 0.813 361 P CB -0.234 31.386 31.700 -0.134 0.000 0.771 362 I N -5.736 114.696 120.570 -0.230 0.000 2.944 362 I HA 0.258 4.428 4.170 -0.001 0.000 0.330 362 I C 1.041 177.079 176.117 -0.132 0.000 1.482 362 I CA -0.697 60.507 61.300 -0.160 0.000 0.880 362 I CB 0.151 38.093 38.000 -0.097 0.000 1.728 362 I HN -0.266 nan 8.210 nan 0.000 0.561 363 K N 1.214 121.502 120.400 -0.187 0.000 2.442 363 K HA -0.129 4.191 4.320 -0.001 0.000 0.199 363 K C 0.915 177.509 176.600 -0.010 0.000 1.044 363 K CA 1.797 58.033 56.287 -0.085 0.000 0.941 363 K CB -0.259 32.155 32.500 -0.144 0.000 0.759 363 K HN 0.787 nan 8.250 nan 0.000 0.472 364 E N 0.548 120.704 120.200 -0.073 0.000 2.479 364 E HA 0.078 4.427 4.350 -0.001 0.000 0.193 364 E C 0.526 177.051 176.600 -0.125 0.000 1.049 364 E CA 0.064 56.411 56.400 -0.088 0.000 0.870 364 E CB 0.464 30.114 29.700 -0.082 0.000 0.944 364 E HN 0.121 nan 8.360 nan 0.000 0.492 365 S N 0.651 116.292 115.700 -0.097 0.000 2.593 365 S HA 0.308 4.778 4.470 -0.001 0.000 0.236 365 S C 0.222 174.773 174.600 -0.081 0.000 0.991 365 S CA -0.359 57.783 58.200 -0.097 0.000 0.963 365 S CB 0.238 63.412 63.200 -0.043 0.000 0.865 365 S HN 0.180 nan 8.310 nan 0.000 0.488 366 I N 1.396 121.927 120.570 -0.065 0.000 2.433 366 I HA 0.389 4.559 4.170 -0.001 0.000 0.292 366 I C -1.158 174.934 176.117 -0.042 0.000 1.001 366 I CA -0.744 60.590 61.300 0.057 0.000 1.119 366 I CB 1.571 39.728 38.000 0.262 0.000 1.289 366 I HN 0.047 nan 8.210 nan 0.000 0.438 367 F N 5.793 125.809 119.950 0.109 0.000 2.377 367 F HA 0.149 4.676 4.527 -0.001 0.000 0.360 367 F C 0.116 175.954 175.800 0.064 0.000 1.147 367 F CA -0.299 57.745 58.000 0.073 0.000 1.170 367 F CB 0.429 39.442 39.000 0.020 0.000 1.339 367 F HN 0.504 nan 8.300 nan 0.000 0.552 368 W N 6.877 128.163 121.300 -0.024 0.000 2.387 368 W HA 0.410 5.069 4.660 -0.001 0.000 0.310 368 W C -0.893 175.568 176.519 -0.098 0.000 1.181 368 W CA -0.770 56.453 57.345 -0.204 0.000 1.333 368 W CB 0.588 29.643 29.460 -0.674 0.000 1.286 368 W HN 0.397 nan 8.180 nan 0.000 0.455 369 R N 4.894 124.970 120.500 -0.706 0.000 2.360 369 R HA 0.117 4.457 4.340 -0.001 0.000 0.318 369 R C -0.614 175.231 176.300 -0.759 0.000 0.950 369 R CA -0.618 55.151 56.100 -0.552 0.000 0.837 369 R CB 2.244 32.389 30.300 -0.259 0.000 1.165 369 R HN 0.496 nan 8.270 nan 0.000 0.458 370 Q N 3.566 123.042 119.800 -0.542 0.000 2.430 370 Q HA 0.266 4.605 4.340 -0.001 0.000 0.245 370 Q C -0.414 175.501 176.000 -0.141 0.000 1.021 370 Q CA -0.581 55.032 55.803 -0.315 0.000 0.867 370 Q CB 1.163 29.859 28.738 -0.070 0.000 1.210 370 Q HN 0.504 nan 8.270 nan 0.000 0.487 371 V N 0.670 120.511 119.914 -0.122 0.000 2.834 371 V HA 0.369 4.489 4.120 -0.001 0.000 0.313 371 V C 0.460 176.532 176.094 -0.038 0.000 1.060 371 V CA -0.523 61.734 62.300 -0.073 0.000 0.989 371 V CB 1.827 33.606 31.823 -0.074 0.000 1.041 371 V HN 0.693 nan 8.190 nan 0.000 0.459 372 D N 2.052 122.430 120.400 -0.036 0.000 2.348 372 D HA 0.096 4.736 4.640 -0.001 0.000 0.216 372 D C 1.070 177.350 176.300 -0.034 0.000 0.970 372 D CA 1.324 55.312 54.000 -0.019 0.000 0.889 372 D CB 0.134 40.923 40.800 -0.018 0.000 0.912 372 D HN 0.859 nan 8.370 nan 0.000 0.524 373 G N -0.450 108.307 108.800 -0.072 0.000 2.563 373 G HA2 0.476 4.435 3.960 -0.001 0.000 0.283 373 G HA3 0.476 4.435 3.960 -0.001 0.000 0.283 373 G C 0.424 175.284 174.900 -0.067 0.000 1.309 373 G CA -0.057 44.971 45.100 -0.120 0.000 1.022 373 G HN 0.181 nan 8.290 nan 0.000 0.501 374 G N -2.329 106.403 108.800 -0.113 0.000 2.990 374 G HA2 0.398 4.358 3.960 -0.001 0.000 0.208 374 G HA3 0.398 4.358 3.960 -0.001 0.000 0.208 374 G C -0.767 174.064 174.900 -0.115 0.000 1.334 374 G CA -0.606 44.460 45.100 -0.056 0.000 1.024 374 G HN 0.674 nan 8.290 nan 0.000 0.574 375 H N 0.408 119.371 119.070 -0.177 0.000 2.998 375 H HA 0.431 4.987 4.556 -0.001 0.000 0.241 375 H C -1.143 173.779 175.328 -0.677 0.000 1.852 375 H CA -0.081 55.826 56.048 -0.236 0.000 1.419 375 H CB -0.205 29.540 29.762 -0.029 0.000 1.793 375 H HN 0.197 nan 8.280 nan 0.000 0.553 376 D N 2.198 121.817 120.400 -1.301 0.000 2.763 376 D HA 0.207 4.846 4.640 -0.001 0.000 0.235 376 D C 0.758 176.275 176.300 -1.305 0.000 1.334 376 D CA -0.095 53.294 54.000 -1.019 0.000 0.950 376 D CB 1.306 41.785 40.800 -0.534 0.000 1.433 376 D HN 0.482 nan 8.370 nan 0.000 0.580 377 A N 3.393 125.619 122.820 -0.990 0.000 1.978 377 A HA -0.174 4.145 4.320 -0.001 0.000 0.220 377 A C 1.937 179.347 177.584 -0.289 0.000 1.170 377 A CA 1.072 52.824 52.037 -0.474 0.000 0.636 377 A CB -0.304 18.439 19.000 -0.428 0.000 0.810 377 A HN 0.555 nan 8.150 nan 0.000 0.448 378 L N -0.639 120.387 121.223 -0.328 0.000 2.191 378 L HA -0.155 4.185 4.340 -0.001 0.000 0.212 378 L C 2.336 178.984 176.870 -0.369 0.000 1.103 378 L CA 1.921 56.537 54.840 -0.372 0.000 0.769 378 L CB -0.559 41.373 42.059 -0.212 0.000 0.908 378 L HN 0.486 nan 8.230 nan 0.000 0.438 379 C N -2.094 116.985 119.300 -0.369 0.000 2.500 379 C HA -0.082 4.378 4.460 -0.001 0.000 0.279 379 C C 2.388 177.309 174.990 -0.115 0.000 1.288 379 C CA -0.205 58.635 59.018 -0.296 0.000 1.710 379 C CB -1.192 26.344 27.740 -0.339 0.000 2.052 379 C HN 0.717 nan 8.230 nan 0.000 0.488 380 W N 2.451 123.664 121.300 -0.146 0.000 2.321 380 W HA -0.155 4.505 4.660 -0.001 0.000 0.306 380 W C 2.682 179.154 176.519 -0.078 0.000 1.217 380 W CA 1.605 58.901 57.345 -0.081 0.000 1.257 380 W CB -1.189 28.275 29.460 0.006 0.000 1.145 380 W HN 0.492 nan 8.180 nan 0.000 0.509 381 R N 0.196 120.782 120.500 0.144 0.000 2.127 381 R HA -0.099 4.240 4.340 -0.001 0.000 0.238 381 R C 2.248 178.575 176.300 0.045 0.000 1.134 381 R CA 1.941 58.021 56.100 -0.033 0.000 0.975 381 R CB -1.414 28.495 30.300 -0.652 0.000 0.865 381 R HN 0.124 nan 8.270 nan 0.000 0.447 382 G N 0.375 109.131 108.800 -0.072 0.000 2.396 382 G HA2 -0.093 3.866 3.960 -0.001 0.000 0.214 382 G HA3 -0.093 3.866 3.960 -0.001 0.000 0.214 382 G C 1.578 176.494 174.900 0.027 0.000 1.166 382 G CA 0.413 45.544 45.100 0.051 0.000 0.793 382 G HN 0.469 nan 8.290 nan 0.000 0.533 383 G N 0.849 109.644 108.800 -0.008 0.000 2.448 383 G HA2 -0.112 3.848 3.960 -0.001 0.000 0.219 383 G HA3 -0.112 3.848 3.960 -0.001 0.000 0.219 383 G C 1.727 176.572 174.900 -0.091 0.000 1.127 383 G CA 1.044 46.119 45.100 -0.042 0.000 0.766 383 G HN 0.419 nan 8.290 nan 0.000 0.552 384 L N 0.047 121.206 121.223 -0.107 0.000 2.027 384 L HA 0.061 4.400 4.340 -0.001 0.000 0.206 384 L C 2.615 179.372 176.870 -0.189 0.000 1.074 384 L CA 1.641 56.348 54.840 -0.222 0.000 0.745 384 L CB -0.307 41.504 42.059 -0.414 0.000 0.898 384 L HN 0.061 nan 8.230 nan 0.000 0.433 385 M N -0.864 118.678 119.600 -0.097 0.000 2.099 385 M HA -0.160 4.320 4.480 -0.001 0.000 0.262 385 M C 2.399 178.647 176.300 -0.087 0.000 1.067 385 M CA 1.621 56.870 55.300 -0.086 0.000 1.124 385 M CB -1.390 31.191 32.600 -0.031 0.000 1.353 385 M HN 0.378 nan 8.290 nan 0.000 0.410 386 Q N 0.218 119.974 119.800 -0.073 0.000 2.135 386 Q HA -0.080 4.259 4.340 -0.001 0.000 0.204 386 Q C 1.949 177.843 176.000 -0.177 0.000 0.981 386 Q CA 2.172 57.917 55.803 -0.097 0.000 0.856 386 Q CB -0.820 27.871 28.738 -0.079 0.000 0.902 386 Q HN 0.563 nan 8.270 nan 0.000 0.425 387 G N -0.143 108.535 108.800 -0.204 0.000 2.408 387 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.217 387 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.217 387 G C 1.314 176.018 174.900 -0.326 0.000 1.150 387 G CA 0.674 45.608 45.100 -0.277 0.000 0.776 387 G HN 0.374 nan 8.290 nan 0.000 0.542 388 L N 0.063 121.108 121.223 -0.297 0.000 2.056 388 L HA 0.007 4.346 4.340 -0.001 0.000 0.207 388 L C 2.844 179.587 176.870 -0.211 0.000 1.078 388 L CA 0.629 55.229 54.840 -0.400 0.000 0.749 388 L CB -0.353 41.550 42.059 -0.259 0.000 0.901 388 L HN 0.197 nan 8.230 nan 0.000 0.433 389 I N 0.072 120.588 120.570 -0.089 0.000 2.127 389 I HA -0.320 3.850 4.170 -0.001 0.000 0.241 389 I C 2.135 178.228 176.117 -0.040 0.000 1.075 389 I CA 1.416 62.719 61.300 0.005 0.000 1.334 389 I CB -0.398 37.598 38.000 -0.008 0.000 1.040 389 I HN 0.304 nan 8.210 nan 0.000 0.405 390 D N 0.736 120.998 120.400 -0.230 0.000 2.144 390 D HA -0.122 4.518 4.640 -0.001 0.000 0.199 390 D C 2.266 178.384 176.300 -0.304 0.000 0.984 390 D CA 1.228 54.974 54.000 -0.424 0.000 0.834 390 D CB -0.228 39.945 40.800 -1.046 0.000 0.955 390 D HN 0.332 nan 8.370 nan 0.000 0.465 391 L N -0.865 120.187 121.223 -0.285 0.000 2.313 391 L HA -0.029 4.310 4.340 -0.001 0.000 0.214 391 L C 1.596 178.474 176.870 0.013 0.000 1.119 391 L CA 0.366 55.118 54.840 -0.146 0.000 0.809 391 L CB 0.024 41.898 42.059 -0.308 0.000 0.933 391 L HN 0.092 nan 8.230 nan 0.000 0.449 392 W N -0.146 121.164 121.300 0.017 0.000 3.239 392 W HA 0.119 4.778 4.660 -0.001 0.000 0.348 392 W C 2.154 178.728 176.519 0.092 0.000 1.183 392 W CA -0.304 57.063 57.345 0.037 0.000 1.819 392 W CB -0.102 29.355 29.460 -0.005 0.000 1.091 392 W HN 0.233 nan 8.180 nan 0.000 0.629 393 Q N 2.187 122.177 119.800 0.317 0.000 2.030 393 Q HA -0.141 4.199 4.340 -0.001 0.000 0.204 393 Q C -0.792 175.445 176.000 0.395 0.000 0.986 393 Q CA 2.147 58.172 55.803 0.369 0.000 0.843 393 Q CB -1.456 27.440 28.738 0.263 0.000 0.904 393 Q HN 0.005 nan 8.270 nan 0.000 0.420 394 P HA -0.087 nan 4.420 nan 0.000 0.226 394 P C 0.224 177.663 177.300 0.231 0.000 1.146 394 P CA 0.684 63.911 63.100 0.212 0.000 0.773 394 P CB -0.056 31.748 31.700 0.172 0.000 0.772 395 L N -1.391 120.002 121.223 0.283 0.000 2.749 395 L HA 0.084 4.424 4.340 -0.001 0.000 0.245 395 L C 0.831 177.896 176.870 0.325 0.000 1.156 395 L CA 0.969 55.935 54.840 0.210 0.000 0.890 395 L CB -1.438 40.673 42.059 0.086 0.000 1.036 395 L HN 0.062 nan 8.230 nan 0.000 0.441 396 F N 0.000 119.972 119.950 0.037 0.000 2.286 396 F HA 0.000 4.526 4.527 -0.001 0.000 0.279 396 F CA 0.000 58.014 58.000 0.023 0.000 1.383 396 F CB 0.000 39.007 39.000 0.011 0.000 1.145 396 F HN 0.000 nan 8.300 nan 0.000 0.574