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 2jdw_1_A DATA FIRST_RESID 64 DATA SEQUENCE CPVSSYNEWD PLEEVIVGRA ENACVPPFTI EVKANTYEKY WPFYQKQGGH DATA SEQUENCE YFPKDHLKKA VAEIEEMCNI LKTEGVTVRR PDPIDWSLKY KTPDFESTGL DATA SEQUENCE YSAMPRDILI VVGNEIIEAP MAWRSRFFEY RAYRSIIKDY FHRGAKWTTA DATA SEQUENCE PKPTMADELY NQDYPIHSVE DRHKLAAQGK FVTTEFEPCF DAADFIRAGR DATA SEQUENCE DIFAQRSQVT NYLGIEWMRR HLAPDYRVHI ISFKDPNPMH IDATFNIIGP DATA SEQUENCE GIVLSNPDRP CHQIDLFKKA GWTIITPPTP IIPDDHPLWM SSKWLSMNVL DATA SEQUENCE MLDEKRVMVD ANEVPIQKMF EKLGITTIKV NIRNANSLGG GFHCWTCDVR DATA SEQUENCE RRGTLQSYLD 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 64 C HA 0.000 nan 4.460 nan 0.000 0.325 64 C C 0.000 174.955 174.990 -0.059 0.000 1.270 64 C CA 0.000 59.000 59.018 -0.030 0.000 1.963 64 C CB 0.000 27.718 27.740 -0.036 0.000 2.134 65 P HA -0.064 nan 4.420 nan 0.000 0.223 65 P C -1.510 175.620 177.300 -0.284 0.000 1.151 65 P CA 1.087 64.110 63.100 -0.127 0.000 0.787 65 P CB 0.442 32.116 31.700 -0.043 0.000 0.788 66 V N 0.202 119.942 119.914 -0.289 0.000 2.370 66 V HA 0.208 nan 4.120 nan 0.000 0.279 66 V C -1.277 174.683 176.094 -0.223 0.000 1.029 66 V CA -0.618 61.488 62.300 -0.324 0.000 0.870 66 V CB -0.436 31.201 31.823 -0.310 0.000 0.984 66 V HN -0.736 7.297 8.190 -0.199 0.038 0.451 67 S N 7.831 123.383 115.700 -0.245 0.000 2.277 67 S HA 0.199 nan 4.470 nan 0.000 0.230 67 S C -2.396 171.998 174.600 -0.343 0.000 0.893 67 S CA 0.950 58.977 58.200 -0.289 0.000 1.044 67 S CB 1.664 64.764 63.200 -0.166 0.000 1.252 67 S HN 0.799 8.956 8.310 -0.255 0.000 0.393 68 S N 6.752 122.162 115.700 -0.483 0.000 2.668 68 S HA 0.395 nan 4.470 nan 0.000 0.277 68 S C -1.260 173.065 174.600 -0.458 0.000 1.170 68 S CA -0.395 57.581 58.200 -0.373 0.000 0.994 68 S CB 1.874 64.937 63.200 -0.227 0.000 1.051 68 S HN -0.108 7.871 8.310 -0.552 0.000 0.484 69 Y N 5.357 125.626 120.300 -0.051 0.000 2.442 69 Y HA 0.133 nan 4.550 nan 0.000 0.250 69 Y C -1.259 174.607 175.900 -0.057 0.000 1.113 69 Y CA -0.099 58.008 58.100 0.012 0.000 1.273 69 Y CB 1.251 39.761 38.460 0.083 0.000 1.138 69 Y HN 0.567 8.795 8.280 -0.087 0.000 0.522 70 N N -3.886 114.728 118.700 -0.143 0.000 3.344 70 N HA 0.142 nan 4.740 nan 0.000 0.296 70 N C -0.616 174.615 175.510 -0.466 0.000 1.571 70 N CA -0.754 52.029 53.050 -0.445 0.000 0.844 70 N CB 1.185 38.961 38.487 -1.185 0.000 1.718 70 N HN -0.887 7.385 8.380 -0.181 0.000 0.589 71 E N -3.040 116.841 120.200 -0.533 0.000 2.474 71 E HA 0.047 nan 4.350 nan 0.000 0.195 71 E C -0.670 175.936 176.600 0.009 0.000 1.039 71 E CA 0.953 57.309 56.400 -0.074 0.000 0.881 71 E CB -0.043 29.791 29.700 0.223 0.000 0.970 71 E HN 0.104 7.988 8.360 -0.794 0.000 0.486 72 W N -5.907 115.398 121.300 0.009 0.000 2.413 72 W HA 0.249 nan 4.660 nan 0.000 0.288 72 W C -1.418 175.094 176.519 -0.012 0.000 0.958 72 W CA -1.195 56.135 57.345 -0.024 0.000 1.333 72 W CB 0.641 30.052 29.460 -0.081 0.000 1.002 72 W HN -0.545 7.111 8.180 -1.227 -0.212 0.562 73 D N 2.359 122.590 120.400 -0.281 0.000 2.390 73 D HA 0.114 nan 4.640 nan 0.000 0.236 73 D C -1.512 174.785 176.300 -0.007 0.000 1.189 73 D CA 0.361 54.326 54.000 -0.058 0.000 0.887 73 D CB -0.123 40.623 40.800 -0.090 0.000 1.198 73 D HN -0.431 7.827 8.370 -0.676 -0.294 0.444 74 P HA -0.172 nan 4.420 nan 0.000 0.255 74 P C -1.422 175.876 177.300 -0.004 0.000 1.173 74 P CA 0.740 63.850 63.100 0.016 0.000 0.780 74 P CB -0.238 31.476 31.700 0.023 0.000 0.758 75 L N 6.095 127.313 121.223 -0.008 0.000 2.360 75 L HA -0.060 nan 4.340 nan 0.000 0.276 75 L C -1.073 175.791 176.870 -0.011 0.000 1.121 75 L CA 0.778 55.609 54.840 -0.016 0.000 0.845 75 L CB 0.536 42.589 42.059 -0.010 0.000 1.143 75 L HN 0.028 8.257 8.230 -0.002 0.000 0.452 76 E N 4.627 124.817 120.200 -0.017 0.000 2.364 76 E HA 0.180 nan 4.350 nan 0.000 0.203 76 E C -0.563 176.034 176.600 -0.004 0.000 0.888 76 E CA 0.662 57.056 56.400 -0.010 0.000 0.989 76 E CB 2.809 32.500 29.700 -0.014 0.000 0.985 76 E HN 0.766 9.007 8.360 -0.029 0.102 0.499 77 E N -1.589 118.603 120.200 -0.013 0.000 2.331 77 E HA 0.712 nan 4.350 nan 0.000 0.275 77 E C -2.811 173.797 176.600 0.013 0.000 0.895 77 E CA -0.839 55.567 56.400 0.009 0.000 0.753 77 E CB 4.262 33.966 29.700 0.007 0.000 1.216 77 E HN -0.517 7.825 8.360 -0.030 0.000 0.434 78 V N 4.056 124.000 119.914 0.050 0.000 3.087 78 V HA 0.699 nan 4.120 nan 0.000 0.306 78 V C -2.295 173.858 176.094 0.098 0.000 1.187 78 V CA -1.734 60.600 62.300 0.056 0.000 0.999 78 V CB 4.579 36.430 31.823 0.047 0.000 1.049 78 V HN 0.747 8.977 8.190 0.067 0.000 0.431 79 I N 5.262 125.896 120.570 0.108 0.000 2.377 79 I HA 0.589 nan 4.170 nan 0.000 0.293 79 I C -1.528 174.678 176.117 0.148 0.000 0.987 79 I CA -0.893 60.495 61.300 0.147 0.000 1.185 79 I CB 2.255 40.364 38.000 0.182 0.000 1.341 79 I HN 0.205 8.462 8.210 0.079 0.000 0.455 80 V N 6.197 126.211 119.914 0.167 0.000 2.495 80 V HA 0.582 nan 4.120 nan 0.000 0.298 80 V C 0.283 176.525 176.094 0.248 0.000 1.031 80 V CA -2.103 60.320 62.300 0.205 0.000 0.871 80 V CB 2.112 34.034 31.823 0.165 0.000 0.988 80 V HN 0.470 8.753 8.190 0.154 0.000 0.432 81 G N 6.061 115.059 108.800 0.329 0.000 2.684 81 G HA2 0.243 nan 3.960 nan 0.000 0.255 81 G HA3 0.243 nan 3.960 nan 0.000 0.255 81 G C -1.849 173.266 174.900 0.357 0.000 1.219 81 G CA -0.191 45.071 45.100 0.270 0.000 0.901 81 G HN 0.571 9.089 8.290 0.380 0.000 0.548 82 R N -0.761 119.873 120.500 0.224 0.000 2.670 82 R HA 0.345 nan 4.340 nan 0.000 0.289 82 R C -0.732 175.718 176.300 0.250 0.000 0.965 82 R CA -1.487 54.770 56.100 0.262 0.000 0.899 82 R CB 2.779 33.191 30.300 0.187 0.000 1.173 82 R HN -0.091 8.120 8.270 0.083 0.109 0.456 83 A N 3.223 126.239 122.820 0.327 0.000 2.220 83 A HA 0.081 nan 4.320 nan 0.000 0.211 83 A C -0.111 177.637 177.584 0.274 0.000 1.176 83 A CA 0.672 52.889 52.037 0.300 0.000 0.834 83 A CB 0.351 19.566 19.000 0.359 0.000 0.868 83 A HN 0.483 8.816 8.150 0.304 0.000 0.488 84 E N 0.164 120.520 120.200 0.260 0.000 2.480 84 E HA -0.183 nan 4.350 nan 0.000 0.258 84 E C -0.255 176.582 176.600 0.394 0.000 0.984 84 E CA 1.406 57.963 56.400 0.263 0.000 0.930 84 E CB -0.568 29.250 29.700 0.197 0.000 0.936 84 E HN -0.000 8.456 8.360 0.238 0.046 0.466 85 N N -2.390 116.540 118.700 0.384 0.000 2.800 85 N HA -0.402 nan 4.740 nan 0.000 0.250 85 N C -0.931 175.071 175.510 0.820 0.000 1.078 85 N CA 0.955 54.364 53.050 0.598 0.000 0.804 85 N CB -1.209 37.581 38.487 0.503 0.000 1.135 85 N HN 0.369 8.910 8.380 0.269 0.000 0.565 86 A N -1.341 121.884 122.820 0.676 0.000 2.511 86 A HA -0.056 nan 4.320 nan 0.000 0.242 86 A C -0.826 177.185 177.584 0.711 0.000 1.069 86 A CA 0.801 53.228 52.037 0.650 0.000 0.763 86 A CB 0.653 19.998 19.000 0.575 0.000 1.001 86 A HN -0.654 7.780 8.150 0.552 0.048 0.498 87 C N 3.329 122.933 119.300 0.506 0.000 2.456 87 C HA 0.558 nan 4.460 nan 0.000 0.325 87 C C 0.137 175.131 174.990 0.007 0.000 1.217 87 C CA -0.613 58.509 59.018 0.173 0.000 1.687 87 C CB 2.420 30.185 27.740 0.041 0.000 2.270 87 C HN 0.417 8.790 8.230 0.428 0.113 0.499 88 V N 6.034 125.644 119.914 -0.506 0.000 2.521 88 V HA 0.161 nan 4.120 nan 0.000 0.286 88 V C -1.624 174.385 176.094 -0.142 0.000 1.034 88 V CA -1.597 60.323 62.300 -0.633 0.000 1.045 88 V CB 0.306 31.612 31.823 -0.862 0.000 0.974 88 V HN 1.009 8.901 8.190 -0.497 0.000 0.480 89 P HA 0.487 nan 4.420 nan 0.000 0.277 89 P C -2.595 174.701 177.300 -0.008 0.000 1.240 89 P CA -2.740 60.379 63.100 0.032 0.000 0.798 89 P CB -0.445 31.289 31.700 0.058 0.000 0.979 90 P HA -0.031 nan 4.420 nan 0.000 0.267 90 P C -1.483 175.774 177.300 -0.073 0.000 1.200 90 P CA 0.159 63.213 63.100 -0.078 0.000 0.772 90 P CB 0.438 32.061 31.700 -0.128 0.000 0.855 91 F N 3.445 123.282 119.950 -0.189 0.000 2.679 91 F HA 0.003 nan 4.527 nan 0.000 0.351 91 F C -0.570 175.039 175.800 -0.318 0.000 1.279 91 F CA -0.552 57.299 58.000 -0.249 0.000 1.227 91 F CB -0.477 38.436 39.000 -0.144 0.000 1.623 91 F HN 0.241 8.619 8.300 0.130 0.000 0.666 92 T N 3.064 117.239 114.554 -0.631 0.000 2.897 92 T HA 0.269 nan 4.350 nan 0.000 0.278 92 T C 0.907 175.086 174.700 -0.868 0.000 0.981 92 T CA -2.079 59.632 62.100 -0.648 0.000 0.973 92 T CB 2.323 70.844 68.868 -0.578 0.000 1.092 92 T HN -0.146 7.694 8.240 -0.612 0.034 0.543 93 I N 1.685 121.830 120.570 -0.707 0.000 2.194 93 I HA -0.353 nan 4.170 nan 0.000 0.246 93 I C 1.191 176.922 176.117 -0.644 0.000 1.093 93 I CA 2.356 63.273 61.300 -0.639 0.000 1.355 93 I CB -0.297 37.449 38.000 -0.423 0.000 1.046 93 I HN 0.249 8.104 8.210 -0.592 0.000 0.413 94 E N -2.168 117.600 120.200 -0.719 0.000 2.208 94 E HA -0.207 nan 4.350 nan 0.000 0.193 94 E C 2.080 178.205 176.600 -0.792 0.000 0.988 94 E CA 3.026 59.052 56.400 -0.623 0.000 0.828 94 E CB -1.154 28.211 29.700 -0.558 0.000 0.763 94 E HN 0.460 8.325 8.360 -0.825 0.000 0.478 95 V N 1.543 120.815 119.914 -1.069 0.000 2.323 95 V HA -0.312 nan 4.120 nan 0.000 0.244 95 V C 2.364 178.039 176.094 -0.699 0.000 1.041 95 V CA 3.634 65.259 62.300 -1.124 0.000 1.025 95 V CB -0.703 30.468 31.823 -1.087 0.000 0.656 95 V HN -0.525 7.014 8.190 -1.048 0.023 0.451 96 K N 0.305 120.126 120.400 -0.965 0.000 2.113 96 K HA -0.358 nan 4.320 nan 0.000 0.208 96 K C 2.272 178.680 176.600 -0.319 0.000 1.047 96 K CA 3.336 59.068 56.287 -0.926 0.000 0.928 96 K CB -0.169 31.518 32.500 -1.355 0.000 0.716 96 K HN -0.103 7.421 8.250 -1.210 0.000 0.446 97 A N -4.114 118.562 122.820 -0.241 0.000 2.206 97 A HA -0.009 nan 4.320 nan 0.000 0.211 97 A C 0.269 177.915 177.584 0.102 0.000 1.158 97 A CA 1.738 53.786 52.037 0.019 0.000 0.761 97 A CB -0.303 18.681 19.000 -0.026 0.000 0.801 97 A HN -0.210 7.691 8.150 -0.395 0.013 0.473 98 N N -4.458 114.299 118.700 0.095 0.000 2.235 98 N HA 0.214 nan 4.740 nan 0.000 0.231 98 N C -2.010 173.649 175.510 0.248 0.000 1.177 98 N CA -0.511 52.660 53.050 0.200 0.000 0.874 98 N CB 1.938 40.652 38.487 0.378 0.000 1.097 98 N HN -0.137 8.037 8.380 -0.022 0.193 0.518 99 T N -5.229 109.511 114.554 0.310 0.000 2.896 99 T HA 0.300 nan 4.350 nan 0.000 0.297 99 T C -1.029 173.928 174.700 0.429 0.000 1.108 99 T CA -2.076 60.295 62.100 0.452 0.000 1.004 99 T CB 2.825 72.059 68.868 0.610 0.000 1.159 99 T HN -0.954 7.498 8.240 0.352 0.000 0.499 100 Y N 1.471 122.022 120.300 0.419 0.000 2.359 100 Y HA -0.056 nan 4.550 nan 0.000 0.330 100 Y C 1.362 177.062 175.900 -0.334 0.000 1.143 100 Y CA 0.289 58.453 58.100 0.107 0.000 1.318 100 Y CB 0.654 39.220 38.460 0.176 0.000 1.234 100 Y HN 0.282 8.977 8.280 0.691 0.000 0.522 101 E N 5.564 125.268 120.200 -0.826 0.000 2.169 101 E HA -0.547 nan 4.350 nan 0.000 0.202 101 E C 2.201 178.432 176.600 -0.616 0.000 1.016 101 E CA 3.791 59.269 56.400 -1.536 0.000 0.817 101 E CB -0.423 28.670 29.700 -1.013 0.000 0.736 101 E HN 0.664 8.688 8.360 -0.560 0.000 0.462 102 K N -0.840 119.344 120.400 -0.361 0.000 2.127 102 K HA -0.294 nan 4.320 nan 0.000 0.208 102 K C 1.242 177.637 176.600 -0.343 0.000 1.047 102 K CA 2.558 58.613 56.287 -0.386 0.000 0.927 102 K CB -0.367 31.787 32.500 -0.577 0.000 0.716 102 K HN 0.039 8.100 8.250 -0.278 0.021 0.450 103 Y N -6.073 114.331 120.300 0.174 0.000 2.482 103 Y HA 0.059 nan 4.550 nan 0.000 0.270 103 Y C 1.026 177.262 175.900 0.560 0.000 1.152 103 Y CA 0.331 58.657 58.100 0.377 0.000 1.292 103 Y CB -0.224 38.554 38.460 0.530 0.000 1.070 103 Y HN -0.040 8.169 8.280 0.088 0.124 0.528 104 W N -0.480 121.016 121.300 0.327 0.000 2.321 104 W HA -0.155 nan 4.660 nan 0.000 0.306 104 W C -0.556 175.801 176.519 -0.269 0.000 1.217 104 W CA 2.820 60.152 57.345 -0.022 0.000 1.257 104 W CB -2.940 26.547 29.460 0.046 0.000 1.145 104 W HN -0.222 8.000 8.180 0.368 0.179 0.509 105 P HA -0.081 nan 4.420 nan 0.000 0.225 105 P C 0.971 178.289 177.300 0.029 0.000 1.156 105 P CA 2.376 65.495 63.100 0.032 0.000 0.787 105 P CB -0.556 31.185 31.700 0.068 0.000 0.802 106 F N 0.924 120.862 119.950 -0.021 0.000 2.186 106 F HA -0.342 nan 4.527 nan 0.000 0.299 106 F C 1.119 176.771 175.800 -0.248 0.000 1.090 106 F CA 3.816 61.748 58.000 -0.113 0.000 1.307 106 F CB 0.242 39.210 39.000 -0.053 0.000 1.019 106 F HN -0.559 7.825 8.300 0.350 0.126 0.489 107 Y N -1.560 118.677 120.300 -0.105 0.000 2.263 107 Y HA -0.472 nan 4.550 nan 0.000 0.292 107 Y C 2.482 178.186 175.900 -0.328 0.000 1.130 107 Y CA 4.184 62.138 58.100 -0.243 0.000 1.179 107 Y CB -0.500 37.944 38.460 -0.027 0.000 0.998 107 Y HN -0.395 7.984 8.280 0.165 0.000 0.532 108 Q N -1.190 118.438 119.800 -0.287 0.000 2.119 108 Q HA -0.328 nan 4.340 nan 0.000 0.201 108 Q C 1.664 177.581 176.000 -0.138 0.000 0.972 108 Q CA 2.884 58.568 55.803 -0.197 0.000 0.847 108 Q CB -0.029 28.579 28.738 -0.217 0.000 0.903 108 Q HN -0.344 7.629 8.270 -0.371 0.074 0.433 109 K N -1.396 118.890 120.400 -0.190 0.000 2.099 109 K HA -0.070 nan 4.320 nan 0.000 0.203 109 K C 1.519 177.976 176.600 -0.239 0.000 1.047 109 K CA 1.784 57.963 56.287 -0.180 0.000 0.963 109 K CB 0.388 32.789 32.500 -0.164 0.000 0.759 109 K HN -0.413 7.707 8.250 -0.218 0.000 0.451 110 Q N -3.279 116.248 119.800 -0.455 0.000 2.403 110 Q HA 0.086 nan 4.340 nan 0.000 0.203 110 Q C 0.700 176.562 176.000 -0.230 0.000 0.932 110 Q CA -1.036 54.471 55.803 -0.492 0.000 0.945 110 Q CB 0.425 28.533 28.738 -1.051 0.000 1.045 110 Q HN -0.095 7.709 8.270 -0.601 0.106 0.511 111 G N -1.471 107.213 108.800 -0.193 0.000 2.225 111 G HA2 -0.300 nan 3.960 nan 0.000 0.245 111 G HA3 -0.300 nan 3.960 nan 0.000 0.245 111 G C -0.179 174.615 174.900 -0.176 0.000 1.249 111 G CA 1.167 46.185 45.100 -0.137 0.000 0.919 111 G HN -0.527 7.589 8.290 -0.205 0.051 0.486 112 G N 5.115 113.777 108.800 -0.230 0.000 2.175 112 G HA2 -0.360 nan 3.960 nan 0.000 0.244 112 G HA3 -0.360 nan 3.960 nan 0.000 0.244 112 G C -0.655 173.973 174.900 -0.453 0.000 0.982 112 G CA 0.005 44.910 45.100 -0.324 0.000 0.641 112 G HN 0.310 8.373 8.290 -0.198 0.108 0.527 113 H N -0.416 118.477 119.070 -0.295 0.000 2.595 113 H HA 0.249 nan 4.556 nan 0.000 0.346 113 H C -1.021 174.115 175.328 -0.321 0.000 1.181 113 H CA -1.453 54.421 56.048 -0.289 0.000 1.242 113 H CB 2.061 31.687 29.762 -0.226 0.000 1.652 113 H HN -0.375 7.717 8.280 -0.199 0.068 0.548 114 Y N -2.214 118.125 120.300 0.065 0.000 2.457 114 Y HA -0.132 nan 4.550 nan 0.000 0.341 114 Y C 0.111 176.010 175.900 -0.002 0.000 1.240 114 Y CA 1.342 59.492 58.100 0.082 0.000 1.437 114 Y CB 0.411 38.955 38.460 0.141 0.000 1.328 114 Y HN 0.125 8.476 8.280 0.118 0.000 0.588 115 F N 4.105 124.181 119.950 0.209 0.000 2.490 115 F HA -0.026 nan 4.527 nan 0.000 0.336 115 F C -1.058 174.802 175.800 0.100 0.000 1.178 115 F CA -0.128 57.889 58.000 0.029 0.000 1.301 115 F CB -0.162 38.833 39.000 -0.009 0.000 1.175 115 F HN -0.067 8.604 8.300 0.619 0.000 0.593 116 P HA -0.055 nan 4.420 nan 0.000 0.255 116 P C -0.082 177.391 177.300 0.288 0.000 1.161 116 P CA 0.359 63.610 63.100 0.252 0.000 0.768 116 P CB 0.025 31.911 31.700 0.309 0.000 0.746 117 K N 4.426 124.951 120.400 0.207 0.000 2.209 117 K HA -0.383 nan 4.320 nan 0.000 0.204 117 K C 1.168 177.864 176.600 0.160 0.000 1.048 117 K CA 3.832 60.216 56.287 0.162 0.000 0.940 117 K CB -0.407 32.140 32.500 0.078 0.000 0.729 117 K HN 0.647 9.003 8.250 0.175 0.000 0.451 118 D N -3.864 116.639 120.400 0.172 0.000 2.194 118 D HA -0.166 nan 4.640 nan 0.000 0.204 118 D C 1.740 178.143 176.300 0.172 0.000 0.964 118 D CA 2.798 56.882 54.000 0.140 0.000 0.846 118 D CB -0.983 39.889 40.800 0.120 0.000 0.962 118 D HN 0.416 8.866 8.370 0.183 0.030 0.490 119 H N 1.671 120.853 119.070 0.186 0.000 2.363 119 H HA -0.102 nan 4.556 nan 0.000 0.301 119 H C 2.317 177.767 175.328 0.203 0.000 1.074 119 H CA 3.078 59.259 56.048 0.222 0.000 1.354 119 H CB 0.698 30.683 29.762 0.371 0.000 1.397 119 H HN -0.747 7.652 8.280 0.383 0.110 0.516 120 L N -1.727 119.729 121.223 0.388 0.000 2.083 120 L HA -0.446 nan 4.340 nan 0.000 0.209 120 L C 1.575 178.558 176.870 0.189 0.000 1.083 120 L CA 3.148 58.166 54.840 0.296 0.000 0.752 120 L CB -0.345 41.879 42.059 0.274 0.000 0.899 120 L HN 0.343 8.807 8.230 0.389 0.000 0.433 121 K N -0.909 119.575 120.400 0.141 0.000 2.097 121 K HA -0.354 nan 4.320 nan 0.000 0.206 121 K C 2.013 178.643 176.600 0.050 0.000 1.049 121 K CA 3.790 60.126 56.287 0.082 0.000 0.933 121 K CB -0.288 32.250 32.500 0.063 0.000 0.717 121 K HN -0.465 7.864 8.250 0.157 0.015 0.442 122 K N -1.751 118.670 120.400 0.035 0.000 2.097 122 K HA -0.265 nan 4.320 nan 0.000 0.205 122 K C 2.098 178.689 176.600 -0.016 0.000 1.050 122 K CA 2.895 59.173 56.287 -0.015 0.000 0.938 122 K CB -0.274 32.179 32.500 -0.077 0.000 0.718 122 K HN -0.687 7.595 8.250 0.053 0.000 0.442 123 A N -0.091 122.750 122.820 0.035 0.000 1.877 123 A HA -0.195 nan 4.320 nan 0.000 0.216 123 A C 2.128 179.680 177.584 -0.054 0.000 1.186 123 A CA 3.168 55.206 52.037 0.003 0.000 0.620 123 A CB -0.761 18.323 19.000 0.140 0.000 0.822 123 A HN -0.448 7.759 8.150 0.095 0.000 0.443 124 V N -0.794 119.132 119.914 0.020 0.000 2.282 124 V HA -0.540 nan 4.120 nan 0.000 0.249 124 V C 1.938 178.015 176.094 -0.028 0.000 1.057 124 V CA 4.386 66.695 62.300 0.014 0.000 1.032 124 V CB -1.297 30.557 31.823 0.053 0.000 0.645 124 V HN 0.006 8.238 8.190 0.070 0.000 0.447 125 A N -1.827 120.978 122.820 -0.025 0.000 1.865 125 A HA -0.415 nan 4.320 nan 0.000 0.217 125 A C 2.056 179.603 177.584 -0.062 0.000 1.191 125 A CA 3.529 55.545 52.037 -0.034 0.000 0.623 125 A CB -0.867 18.117 19.000 -0.026 0.000 0.826 125 A HN -0.316 7.828 8.150 -0.009 0.000 0.444 126 E N -1.229 118.915 120.200 -0.093 0.000 2.110 126 E HA -0.346 nan 4.350 nan 0.000 0.193 126 E C 2.709 179.209 176.600 -0.168 0.000 0.988 126 E CA 2.920 59.245 56.400 -0.126 0.000 0.804 126 E CB -0.100 29.502 29.700 -0.163 0.000 0.745 126 E HN -0.442 7.866 8.360 -0.086 0.000 0.458 127 I N -0.924 119.506 120.570 -0.232 0.000 2.353 127 I HA -0.333 nan 4.170 nan 0.000 0.248 127 I C 2.179 178.232 176.117 -0.107 0.000 1.119 127 I CA 2.070 63.216 61.300 -0.258 0.000 1.417 127 I CB -1.323 36.454 38.000 -0.372 0.000 1.078 127 I HN 0.244 8.318 8.210 -0.225 0.000 0.421 128 E N -0.209 119.950 120.200 -0.067 0.000 2.077 128 E HA -0.360 nan 4.350 nan 0.000 0.193 128 E C 2.762 179.346 176.600 -0.027 0.000 0.989 128 E CA 3.153 59.536 56.400 -0.029 0.000 0.800 128 E CB -0.771 28.918 29.700 -0.017 0.000 0.746 128 E HN 0.035 8.350 8.360 -0.074 0.000 0.452 129 E N 0.032 120.210 120.200 -0.037 0.000 2.106 129 E HA -0.235 nan 4.350 nan 0.000 0.192 129 E C 2.128 178.715 176.600 -0.021 0.000 0.984 129 E CA 2.268 58.652 56.400 -0.027 0.000 0.806 129 E CB -0.517 29.165 29.700 -0.030 0.000 0.750 129 E HN -0.501 7.830 8.360 -0.049 0.000 0.458 130 M N 0.123 119.708 119.600 -0.026 0.000 2.108 130 M HA -0.383 nan 4.480 nan 0.000 0.261 130 M C 1.974 178.275 176.300 0.003 0.000 1.066 130 M CA 3.947 59.247 55.300 0.001 0.000 1.107 130 M CB 0.020 32.625 32.600 0.009 0.000 1.356 130 M HN -0.451 7.731 8.290 -0.050 0.078 0.406 131 C N -1.256 118.044 119.300 0.000 0.000 2.440 131 C HA -0.405 nan 4.460 nan 0.000 0.278 131 C C 2.087 177.081 174.990 0.005 0.000 1.295 131 C CA 4.093 63.119 59.018 0.013 0.000 1.738 131 C CB -2.137 25.614 27.740 0.019 0.000 1.987 131 C HN 0.216 8.363 8.230 -0.013 0.075 0.492 132 N N 0.619 119.317 118.700 -0.003 0.000 2.120 132 N HA -0.247 nan 4.740 nan 0.000 0.188 132 N C 2.087 177.591 175.510 -0.009 0.000 1.024 132 N CA 3.087 56.133 53.050 -0.005 0.000 0.852 132 N CB -0.632 37.849 38.487 -0.009 0.000 1.003 132 N HN -0.239 8.055 8.380 -0.006 0.082 0.424 133 I N 0.419 120.980 120.570 -0.015 0.000 2.252 133 I HA -0.482 nan 4.170 nan 0.000 0.245 133 I C 1.608 177.710 176.117 -0.024 0.000 1.102 133 I CA 4.050 65.335 61.300 -0.025 0.000 1.385 133 I CB -0.140 37.837 38.000 -0.038 0.000 1.064 133 I HN 0.063 8.264 8.210 -0.014 0.000 0.414 134 L N -0.665 120.549 121.223 -0.014 0.000 2.046 134 L HA -0.518 nan 4.340 nan 0.000 0.208 134 L C 2.048 178.916 176.870 -0.004 0.000 1.077 134 L CA 3.622 58.457 54.840 -0.009 0.000 0.747 134 L CB -0.636 41.429 42.059 0.010 0.000 0.896 134 L HN 0.061 8.212 8.230 -0.008 0.075 0.432 135 K N -1.278 119.122 120.400 0.001 0.000 2.097 135 K HA -0.325 nan 4.320 nan 0.000 0.206 135 K C 3.148 179.746 176.600 -0.003 0.000 1.049 135 K CA 3.708 59.996 56.287 0.003 0.000 0.933 135 K CB -0.342 32.161 32.500 0.006 0.000 0.717 135 K HN -0.090 8.161 8.250 0.002 0.000 0.442 136 T N 1.793 116.342 114.554 -0.009 0.000 2.867 136 T HA -0.152 nan 4.350 nan 0.000 0.268 136 T C 1.403 176.094 174.700 -0.015 0.000 1.057 136 T CA 3.408 65.501 62.100 -0.012 0.000 1.136 136 T CB -0.431 68.428 68.868 -0.016 0.000 0.874 136 T HN -0.270 7.882 8.240 -0.010 0.082 0.466 137 E N -1.638 118.550 120.200 -0.019 0.000 2.463 137 E HA 0.127 nan 4.350 nan 0.000 0.191 137 E C 0.569 177.161 176.600 -0.014 0.000 1.083 137 E CA -0.821 55.566 56.400 -0.022 0.000 0.872 137 E CB -0.359 29.320 29.700 -0.034 0.000 0.966 137 E HN -0.320 7.904 8.360 -0.019 0.125 0.491 138 G N -1.621 107.174 108.800 -0.008 0.000 2.136 138 G HA2 -0.454 nan 3.960 nan 0.000 0.242 138 G HA3 -0.454 nan 3.960 nan 0.000 0.242 138 G C -0.825 174.076 174.900 0.001 0.000 0.989 138 G CA 0.509 45.608 45.100 -0.002 0.000 0.682 138 G HN -0.328 7.753 8.290 -0.007 0.205 0.522 139 V N 0.547 120.463 119.914 0.002 0.000 2.427 139 V HA 0.160 nan 4.120 nan 0.000 0.286 139 V C 0.080 176.185 176.094 0.018 0.000 1.034 139 V CA -0.834 61.471 62.300 0.009 0.000 0.893 139 V CB 0.471 32.298 31.823 0.007 0.000 0.982 139 V HN -0.280 7.910 8.190 -0.000 0.000 0.452 140 T N 9.541 124.111 114.554 0.026 0.000 2.814 140 T HA 0.127 nan 4.350 nan 0.000 0.297 140 T C -1.159 173.572 174.700 0.052 0.000 0.956 140 T CA 0.732 62.855 62.100 0.039 0.000 1.123 140 T CB -0.000 68.896 68.868 0.048 0.000 0.902 140 T HN 0.569 8.717 8.240 0.022 0.104 0.528 141 V N 6.151 126.095 119.914 0.051 0.000 2.435 141 V HA 0.548 nan 4.120 nan 0.000 0.290 141 V C -0.494 175.641 176.094 0.068 0.000 1.030 141 V CA -0.989 61.348 62.300 0.061 0.000 0.881 141 V CB 1.551 33.404 31.823 0.051 0.000 0.983 141 V HN 0.350 8.565 8.190 0.042 0.000 0.445 142 R N 6.090 126.642 120.500 0.086 0.000 2.740 142 R HA 0.519 nan 4.340 nan 0.000 0.282 142 R C -1.840 174.510 176.300 0.083 0.000 0.969 142 R CA -2.743 53.401 56.100 0.074 0.000 0.918 142 R CB 3.965 34.316 30.300 0.085 0.000 1.175 142 R HN 0.521 8.852 8.270 0.101 0.000 0.464 143 R N 1.560 122.095 120.500 0.058 0.000 2.807 143 R HA 0.565 nan 4.340 nan 0.000 0.276 143 R C -2.121 174.190 176.300 0.019 0.000 0.979 143 R CA -3.142 52.996 56.100 0.063 0.000 0.928 143 R CB 0.857 31.189 30.300 0.055 0.000 1.191 143 R HN 0.278 8.568 8.270 0.033 0.000 0.471 144 P HA 0.271 nan 4.420 nan 0.000 0.274 144 P C -1.085 176.161 177.300 -0.089 0.000 1.256 144 P CA -0.734 62.262 63.100 -0.173 0.000 0.795 144 P CB 0.964 32.377 31.700 -0.477 0.000 1.038 145 D N 0.913 121.250 120.400 -0.105 0.000 2.372 145 D HA 0.159 nan 4.640 nan 0.000 0.243 145 D C -1.625 174.656 176.300 -0.032 0.000 1.121 145 D CA -1.284 52.680 54.000 -0.060 0.000 0.898 145 D CB -0.600 40.156 40.800 -0.074 0.000 1.202 145 D HN -0.155 8.120 8.370 -0.159 0.000 0.428 146 P HA 0.052 nan 4.420 nan 0.000 0.276 146 P C -1.252 176.003 177.300 -0.075 0.000 1.235 146 P CA 0.060 63.165 63.100 0.008 0.000 0.772 146 P CB 0.763 32.468 31.700 0.009 0.000 0.871 147 I N 1.178 121.669 120.570 -0.133 0.000 2.752 147 I HA 0.052 nan 4.170 nan 0.000 0.295 147 I C -1.797 174.023 176.117 -0.495 0.000 1.219 147 I CA -1.745 59.309 61.300 -0.411 0.000 1.030 147 I CB 4.967 42.507 38.000 -0.766 0.000 1.259 147 I HN -0.407 7.800 8.210 -0.005 0.000 0.423 148 D N 4.725 124.903 120.400 -0.371 0.000 2.365 148 D HA 0.051 nan 4.640 nan 0.000 0.237 148 D C 0.224 176.354 176.300 -0.283 0.000 1.190 148 D CA -0.899 53.004 54.000 -0.160 0.000 0.867 148 D CB -0.307 40.481 40.800 -0.021 0.000 1.050 148 D HN 0.148 8.322 8.370 -0.327 0.000 0.491 149 W N 4.937 126.334 121.300 0.162 0.000 3.077 149 W HA -0.113 nan 4.660 nan 0.000 0.245 149 W C 0.180 176.729 176.519 0.049 0.000 1.316 149 W CA 0.854 58.279 57.345 0.133 0.000 1.537 149 W CB -0.474 29.095 29.460 0.181 0.000 1.131 149 W HN 0.093 8.385 8.180 0.187 0.000 0.695 150 S N -1.366 114.382 115.700 0.079 0.000 2.527 150 S HA -0.171 nan 4.470 nan 0.000 0.222 150 S C 0.205 174.778 174.600 -0.046 0.000 0.985 150 S CA 1.526 59.675 58.200 -0.087 0.000 0.921 150 S CB -0.017 62.998 63.200 -0.308 0.000 0.772 150 S HN -0.596 7.941 8.310 0.078 -0.180 0.529 151 L N 2.769 123.993 121.223 0.002 0.000 2.540 151 L HA -0.126 nan 4.340 nan 0.000 0.276 151 L C -1.372 175.508 176.870 0.017 0.000 1.212 151 L CA 0.326 55.166 54.840 0.001 0.000 0.893 151 L CB 1.153 43.209 42.059 -0.005 0.000 1.138 151 L HN -0.840 7.352 8.230 0.007 0.042 0.491 152 K N 6.295 126.666 120.400 -0.049 0.000 2.227 152 K HA 0.275 nan 4.320 nan 0.000 0.280 152 K C -1.199 175.361 176.600 -0.066 0.000 1.041 152 K CA -0.860 55.344 56.287 -0.139 0.000 0.905 152 K CB 0.861 33.280 32.500 -0.134 0.000 1.068 152 K HN -0.111 8.109 8.250 -0.050 0.000 0.470 153 Y N 3.808 124.114 120.300 0.009 0.000 2.621 153 Y HA 0.437 nan 4.550 nan 0.000 0.334 153 Y C -2.371 173.497 175.900 -0.054 0.000 1.074 153 Y CA -2.751 55.333 58.100 -0.025 0.000 1.149 153 Y CB 2.811 41.283 38.460 0.020 0.000 1.302 153 Y HN 0.905 8.713 8.280 -0.786 0.000 0.501 154 K N 0.763 121.232 120.400 0.114 0.000 2.581 154 K HA 0.366 nan 4.320 nan 0.000 0.249 154 K C -1.413 175.091 176.600 -0.161 0.000 0.966 154 K CA -0.787 55.448 56.287 -0.086 0.000 0.811 154 K CB 2.479 34.930 32.500 -0.081 0.000 1.223 154 K HN -0.026 8.316 8.250 0.153 0.000 0.438 155 T N 2.804 117.101 114.554 -0.428 0.000 2.910 155 T HA 0.565 nan 4.350 nan 0.000 0.279 155 T C -0.938 173.590 174.700 -0.287 0.000 0.989 155 T CA -3.190 58.662 62.100 -0.413 0.000 0.968 155 T CB -0.459 67.956 68.868 -0.754 0.000 1.135 155 T HN 0.660 8.487 8.240 -0.687 0.000 0.562 156 P HA 0.106 nan 4.420 nan 0.000 0.237 156 P C -0.843 176.418 177.300 -0.065 0.000 1.178 156 P CA 1.297 64.342 63.100 -0.092 0.000 0.766 156 P CB 0.365 32.039 31.700 -0.042 0.000 0.876 157 D N -3.199 117.145 120.400 -0.094 0.000 2.423 157 D HA 0.191 nan 4.640 nan 0.000 0.212 157 D C -0.710 175.680 176.300 0.151 0.000 1.060 157 D CA 1.270 55.306 54.000 0.060 0.000 0.872 157 D CB 2.873 43.794 40.800 0.202 0.000 1.012 157 D HN 0.013 8.177 8.370 -0.225 0.071 0.503 158 F N -5.676 114.259 119.950 -0.025 0.000 2.858 158 F HA 0.348 nan 4.527 nan 0.000 0.319 158 F C -3.339 172.435 175.800 -0.043 0.000 1.166 158 F CA -1.172 56.808 58.000 -0.033 0.000 0.899 158 F CB 1.240 40.230 39.000 -0.017 0.000 1.332 158 F HN -0.908 7.109 8.300 -0.473 0.000 0.461 159 E N -0.592 119.689 120.200 0.135 0.000 2.266 159 E HA 0.731 nan 4.350 nan 0.000 0.268 159 E C -2.100 174.546 176.600 0.076 0.000 0.879 159 E CA -1.479 54.914 56.400 -0.013 0.000 0.762 159 E CB 3.080 32.747 29.700 -0.055 0.000 1.199 159 E HN -0.023 8.490 8.360 0.256 0.000 0.422 160 S N 1.980 117.556 115.700 -0.206 0.000 2.615 160 S HA 0.318 nan 4.470 nan 0.000 0.268 160 S C -2.478 171.729 174.600 -0.655 0.000 1.146 160 S CA -0.490 57.530 58.200 -0.300 0.000 0.818 160 S CB 2.591 65.757 63.200 -0.058 0.000 1.111 160 S HN 0.586 8.653 8.310 -0.405 0.000 0.465 161 T N -1.855 112.491 114.554 -0.347 0.000 2.948 161 T HA 0.852 nan 4.350 nan 0.000 0.285 161 T C -0.114 174.610 174.700 0.041 0.000 1.019 161 T CA -1.893 60.082 62.100 -0.209 0.000 1.013 161 T CB 1.654 70.443 68.868 -0.132 0.000 1.117 161 T HN -0.020 8.092 8.240 -0.212 0.000 0.533 162 G N -0.375 108.618 108.800 0.321 0.000 2.543 162 G HA2 0.592 nan 3.960 nan 0.000 0.290 162 G HA3 0.592 nan 3.960 nan 0.000 0.290 162 G C -2.143 172.945 174.900 0.314 0.000 1.310 162 G CA -0.720 44.705 45.100 0.542 0.000 1.025 162 G HN -0.050 8.410 8.290 0.282 0.000 0.502 163 L N -2.033 119.270 121.223 0.133 0.000 3.076 163 L HA 0.547 nan 4.340 nan 0.000 0.173 163 L C -1.547 175.058 176.870 -0.441 0.000 1.343 163 L CA -0.541 54.192 54.840 -0.178 0.000 0.894 163 L CB 3.023 44.863 42.059 -0.364 0.000 1.372 163 L HN -0.115 8.191 8.230 0.127 0.000 0.565 164 Y N -8.344 111.398 120.300 -0.929 0.000 2.952 164 Y HA 0.354 nan 4.550 nan 0.000 0.346 164 Y C -2.029 173.125 175.900 -1.242 0.000 1.388 164 Y CA -1.876 55.413 58.100 -1.351 0.000 1.097 164 Y CB 0.488 38.679 38.460 -0.447 0.000 1.732 164 Y HN -0.729 6.983 8.280 -0.948 0.000 0.431 165 S N -1.545 113.965 115.700 -0.316 0.000 2.835 165 S HA 0.237 nan 4.470 nan 0.000 0.248 165 S C 0.880 175.378 174.600 -0.170 0.000 1.070 165 S CA -1.521 56.626 58.200 -0.089 0.000 1.090 165 S CB 0.449 63.675 63.200 0.044 0.000 0.978 165 S HN 0.375 8.585 8.310 -0.167 0.000 0.510 166 A N 1.524 123.960 122.820 -0.640 0.000 1.968 166 A HA 0.011 nan 4.320 nan 0.000 0.217 166 A C -0.861 176.068 177.584 -1.093 0.000 1.169 166 A CA 2.381 53.738 52.037 -1.134 0.000 0.638 166 A CB 0.068 17.906 19.000 -1.937 0.000 0.812 166 A HN -0.076 7.533 8.150 -0.784 0.071 0.446 167 M N -4.673 114.497 119.600 -0.718 0.000 2.131 167 M HA 0.416 nan 4.480 nan 0.000 0.345 167 M C -1.957 174.209 176.300 -0.224 0.000 1.060 167 M CA -4.479 50.527 55.300 -0.491 0.000 1.011 167 M CB -1.148 31.194 32.600 -0.430 0.000 1.328 167 M HN -0.376 7.593 8.290 -0.535 0.000 0.396 168 P HA -0.182 nan 4.420 nan 0.000 0.218 168 P C 0.832 177.983 177.300 -0.248 0.000 1.149 168 P CA 2.363 65.355 63.100 -0.180 0.000 0.817 168 P CB 0.032 31.713 31.700 -0.030 0.000 0.785 169 R N -3.419 116.953 120.500 -0.214 0.000 2.152 169 R HA -0.269 nan 4.340 nan 0.000 0.232 169 R C 0.694 176.860 176.300 -0.224 0.000 1.117 169 R CA 2.475 58.446 56.100 -0.216 0.000 0.981 169 R CB -0.558 29.603 30.300 -0.232 0.000 0.870 169 R HN -0.588 7.546 8.270 -0.195 0.018 0.451 170 D N -2.953 117.278 120.400 -0.281 0.000 2.224 170 D HA -0.047 nan 4.640 nan 0.000 0.205 170 D C 0.979 177.167 176.300 -0.186 0.000 0.965 170 D CA 2.899 56.714 54.000 -0.308 0.000 0.852 170 D CB 0.622 41.243 40.800 -0.297 0.000 0.947 170 D HN -0.518 7.544 8.370 -0.272 0.145 0.494 171 I N -2.869 117.574 120.570 -0.213 0.000 3.883 171 I HA 0.184 nan 4.170 nan 0.000 0.305 171 I C -1.917 174.070 176.117 -0.217 0.000 1.247 171 I CA 0.598 61.771 61.300 -0.212 0.000 1.350 171 I CB 2.061 39.931 38.000 -0.216 0.000 1.194 171 I HN -0.817 7.205 8.210 -0.254 0.036 0.441 172 L N -1.997 119.073 121.223 -0.256 0.000 2.334 172 L HA 0.604 nan 4.340 nan 0.000 0.276 172 L C -1.702 175.098 176.870 -0.117 0.000 1.014 172 L CA -0.904 53.821 54.840 -0.192 0.000 0.815 172 L CB 2.275 44.182 42.059 -0.253 0.000 1.268 172 L HN -0.353 7.699 8.230 -0.295 0.000 0.428 173 I N 1.307 121.834 120.570 -0.072 0.000 2.607 173 I HA 0.361 nan 4.170 nan 0.000 0.290 173 I C -2.565 173.515 176.117 -0.062 0.000 1.129 173 I CA -1.246 60.021 61.300 -0.054 0.000 1.042 173 I CB 4.457 42.438 38.000 -0.032 0.000 1.242 173 I HN 0.110 8.284 8.210 -0.060 0.000 0.421 174 V N 8.229 128.095 119.914 -0.080 0.000 2.370 174 V HA 0.539 nan 4.120 nan 0.000 0.283 174 V C -1.540 174.469 176.094 -0.141 0.000 1.023 174 V CA -0.797 61.439 62.300 -0.107 0.000 0.857 174 V CB 0.777 32.518 31.823 -0.136 0.000 0.985 174 V HN 0.292 8.437 8.190 -0.076 0.000 0.443 175 V N 7.045 126.861 119.914 -0.164 0.000 2.325 175 V HA 0.559 nan 4.120 nan 0.000 0.280 175 V C 0.457 176.428 176.094 -0.204 0.000 1.016 175 V CA -1.719 60.428 62.300 -0.255 0.000 0.818 175 V CB -0.301 31.280 31.823 -0.404 0.000 1.019 175 V HN 0.597 8.714 8.190 -0.122 0.000 0.434 176 G N 8.243 116.869 108.800 -0.289 0.000 2.543 176 G HA2 -0.436 nan 3.960 nan 0.000 0.286 176 G HA3 -0.436 nan 3.960 nan 0.000 0.286 176 G C -0.336 174.392 174.900 -0.287 0.000 1.153 176 G CA 1.301 46.184 45.100 -0.362 0.000 0.968 176 G HN 0.607 8.676 8.290 -0.369 0.000 0.544 177 N N 4.989 123.634 118.700 -0.092 0.000 2.235 177 N HA 0.061 nan 4.740 nan 0.000 0.209 177 N C -1.640 173.861 175.510 -0.015 0.000 1.122 177 N CA -0.351 52.660 53.050 -0.065 0.000 0.845 177 N CB 0.674 39.160 38.487 -0.002 0.000 1.004 177 N HN 0.159 8.544 8.380 0.009 0.000 0.499 178 E N 0.322 120.517 120.200 -0.009 0.000 2.158 178 E HA 0.484 nan 4.350 nan 0.000 0.271 178 E C -2.760 173.860 176.600 0.033 0.000 0.911 178 E CA -1.540 54.894 56.400 0.057 0.000 0.767 178 E CB 2.876 32.633 29.700 0.094 0.000 1.120 178 E HN -0.601 7.644 8.360 -0.049 0.085 0.405 179 I N 6.743 127.367 120.570 0.089 0.000 2.336 179 I HA 0.630 nan 4.170 nan 0.000 0.292 179 I C -2.198 174.002 176.117 0.139 0.000 0.991 179 I CA -1.089 60.251 61.300 0.067 0.000 1.227 179 I CB 2.204 40.230 38.000 0.043 0.000 1.366 179 I HN 0.296 8.597 8.210 0.153 0.000 0.466 180 I N 9.147 129.762 120.570 0.074 0.000 2.406 180 I HA 0.407 nan 4.170 nan 0.000 0.290 180 I C -1.665 174.461 176.117 0.015 0.000 0.999 180 I CA -1.143 60.202 61.300 0.075 0.000 1.124 180 I CB 2.080 40.119 38.000 0.065 0.000 1.289 180 I HN 0.984 9.208 8.210 0.023 0.000 0.441 181 E N 6.504 126.699 120.200 -0.008 0.000 2.146 181 E HA 0.447 nan 4.350 nan 0.000 0.282 181 E C -1.069 175.384 176.600 -0.246 0.000 0.989 181 E CA -1.540 54.802 56.400 -0.096 0.000 0.799 181 E CB 1.473 31.139 29.700 -0.057 0.000 1.088 181 E HN 0.394 8.769 8.360 0.026 0.000 0.397 182 A N 5.662 128.300 122.820 -0.304 0.000 2.386 182 A HA 0.190 nan 4.320 nan 0.000 0.248 182 A C -1.765 175.410 177.584 -0.682 0.000 1.082 182 A CA -1.862 49.787 52.037 -0.646 0.000 0.789 182 A CB -0.789 17.942 19.000 -0.449 0.000 1.025 182 A HN 0.733 8.647 8.150 -0.216 0.107 0.490 183 P HA -0.070 nan 4.420 nan 0.000 0.222 183 P C -0.769 176.256 177.300 -0.459 0.000 1.153 183 P CA 0.937 63.638 63.100 -0.665 0.000 0.798 183 P CB 0.405 31.698 31.700 -0.679 0.000 0.796 184 M N -4.435 114.926 119.600 -0.398 0.000 7.319 184 M HA -0.443 nan 4.480 nan 0.000 0.156 184 M C -0.796 175.451 176.300 -0.088 0.000 0.480 184 M CA 0.893 56.078 55.300 -0.192 0.000 1.311 184 M CB -1.769 30.753 32.600 -0.130 0.000 0.421 184 M HN 0.096 8.030 8.290 -0.548 0.027 0.199 185 A N -2.178 120.675 122.820 0.055 0.000 2.606 185 A HA 0.305 nan 4.320 nan 0.000 0.230 185 A C -1.629 176.195 177.584 0.400 0.000 1.279 185 A CA 0.311 52.460 52.037 0.186 0.000 1.010 185 A CB 1.761 20.875 19.000 0.190 0.000 1.271 185 A HN 0.362 8.541 8.150 0.049 0.000 0.584 186 W N -1.938 119.379 121.300 0.028 0.000 2.417 186 W HA 0.401 nan 4.660 nan 0.000 0.317 186 W C 1.266 177.770 176.519 -0.026 0.000 1.121 186 W CA -1.928 55.400 57.345 -0.027 0.000 1.208 186 W CB 0.614 30.046 29.460 -0.046 0.000 1.253 186 W HN -0.591 7.783 8.180 0.324 0.000 0.533 187 R N 4.506 125.001 120.500 -0.009 0.000 2.096 187 R HA -0.417 nan 4.340 nan 0.000 0.235 187 R C 1.600 178.042 176.300 0.236 0.000 1.127 187 R CA 4.173 60.152 56.100 -0.202 0.000 0.968 187 R CB -0.157 29.718 30.300 -0.709 0.000 0.861 187 R HN 0.429 8.909 8.270 -0.178 -0.317 0.440 188 S N -2.895 112.939 115.700 0.223 0.000 2.603 188 S HA -0.179 nan 4.470 nan 0.000 0.229 188 S C 0.326 175.178 174.600 0.420 0.000 0.972 188 S CA 2.156 60.556 58.200 0.333 0.000 0.935 188 S CB -0.717 62.601 63.200 0.197 0.000 0.769 188 S HN 0.284 8.648 8.310 0.105 0.009 0.536 189 R N -1.414 119.320 120.500 0.391 0.000 2.565 189 R HA 0.149 nan 4.340 nan 0.000 0.347 189 R C 1.201 177.659 176.300 0.264 0.000 1.010 189 R CA -0.797 55.458 56.100 0.259 0.000 1.126 189 R CB -0.049 30.315 30.300 0.107 0.000 1.331 189 R HN -0.493 7.817 8.270 0.394 0.196 0.552 190 F N 2.986 123.058 119.950 0.204 0.000 2.126 190 F HA -0.345 nan 4.527 nan 0.000 0.299 190 F C -0.412 175.279 175.800 -0.181 0.000 1.096 190 F CA 4.390 62.388 58.000 -0.003 0.000 1.255 190 F CB 0.504 39.522 39.000 0.029 0.000 0.997 190 F HN -0.671 7.941 8.300 0.619 0.059 0.479 191 F N -5.160 114.911 119.950 0.202 0.000 2.750 191 F HA 0.166 nan 4.527 nan 0.000 0.297 191 F C 0.755 176.496 175.800 -0.099 0.000 1.138 191 F CA -1.408 56.505 58.000 -0.144 0.000 1.346 191 F CB -0.492 38.307 39.000 -0.335 0.000 0.965 191 F HN -0.498 8.006 8.300 0.356 0.010 0.514 192 E N 2.360 122.723 120.200 0.271 0.000 2.204 192 E HA -0.348 nan 4.350 nan 0.000 0.194 192 E C 1.468 178.301 176.600 0.388 0.000 0.989 192 E CA 3.403 60.008 56.400 0.343 0.000 0.824 192 E CB -0.123 29.675 29.700 0.163 0.000 0.756 192 E HN -0.504 7.831 8.360 0.239 0.169 0.477 193 Y N -4.279 116.209 120.300 0.313 0.000 2.384 193 Y HA -0.286 nan 4.550 nan 0.000 0.289 193 Y C 1.895 177.993 175.900 0.329 0.000 1.152 193 Y CA 1.249 59.538 58.100 0.316 0.000 1.258 193 Y CB -1.067 37.486 38.460 0.156 0.000 0.979 193 Y HN -0.100 8.393 8.280 0.387 0.019 0.549 194 R N -0.424 119.995 120.500 -0.135 0.000 2.127 194 R HA -0.433 nan 4.340 nan 0.000 0.238 194 R C 1.350 177.666 176.300 0.025 0.000 1.134 194 R CA 2.856 58.917 56.100 -0.065 0.000 0.975 194 R CB -0.639 29.533 30.300 -0.213 0.000 0.865 194 R HN -0.597 7.350 8.270 -0.473 0.040 0.447 195 A N -3.328 119.533 122.820 0.069 0.000 2.066 195 A HA -0.072 nan 4.320 nan 0.000 0.218 195 A C 1.230 178.645 177.584 -0.281 0.000 1.157 195 A CA 2.176 54.148 52.037 -0.109 0.000 0.670 195 A CB 0.088 19.042 19.000 -0.077 0.000 0.804 195 A HN -0.549 7.711 8.150 0.223 0.024 0.453 196 Y N -4.041 116.326 120.300 0.111 0.000 2.449 196 Y HA 0.105 nan 4.550 nan 0.000 0.254 196 Y C 1.773 177.664 175.900 -0.015 0.000 1.140 196 Y CA 1.624 59.754 58.100 0.050 0.000 1.272 196 Y CB -0.006 38.490 38.460 0.060 0.000 1.114 196 Y HN -0.401 7.856 8.280 0.231 0.162 0.525 197 R N 0.341 120.921 120.500 0.133 0.000 2.105 197 R HA -0.353 nan 4.340 nan 0.000 0.239 197 R C 2.175 178.437 176.300 -0.064 0.000 1.135 197 R CA 2.808 58.931 56.100 0.039 0.000 0.967 197 R CB -1.272 29.115 30.300 0.144 0.000 0.861 197 R HN -0.561 7.806 8.270 0.162 0.000 0.442 198 S N -0.184 115.491 115.700 -0.041 0.000 2.370 198 S HA -0.228 nan 4.470 nan 0.000 0.226 198 S C 2.267 176.785 174.600 -0.136 0.000 1.033 198 S CA 3.839 62.001 58.200 -0.064 0.000 1.011 198 S CB -0.571 62.599 63.200 -0.051 0.000 0.852 198 S HN 0.155 8.453 8.310 -0.019 0.000 0.457 199 I N 1.680 122.150 120.570 -0.168 0.000 2.233 199 I HA -0.390 nan 4.170 nan 0.000 0.243 199 I C 1.444 177.268 176.117 -0.489 0.000 1.093 199 I CA 3.495 64.595 61.300 -0.333 0.000 1.380 199 I CB 0.035 37.907 38.000 -0.213 0.000 1.067 199 I HN -0.913 7.230 8.210 -0.099 0.008 0.413 200 I N -0.073 120.291 120.570 -0.343 0.000 2.226 200 I HA -0.635 nan 4.170 nan 0.000 0.245 200 I C 1.952 177.751 176.117 -0.530 0.000 1.100 200 I CA 4.548 65.574 61.300 -0.457 0.000 1.374 200 I CB -0.463 37.103 38.000 -0.723 0.000 1.057 200 I HN -0.294 7.776 8.210 -0.233 0.000 0.413 201 K N -1.165 118.953 120.400 -0.471 0.000 2.148 201 K HA -0.388 nan 4.320 nan 0.000 0.204 201 K C 2.108 178.712 176.600 0.006 0.000 1.050 201 K CA 3.798 59.931 56.287 -0.257 0.000 0.942 201 K CB -0.498 31.950 32.500 -0.087 0.000 0.724 201 K HN 0.027 8.034 8.250 -0.406 0.000 0.446 202 D N 0.030 120.404 120.400 -0.043 0.000 2.097 202 D HA -0.241 nan 4.640 nan 0.000 0.197 202 D C 2.296 178.641 176.300 0.077 0.000 0.984 202 D CA 3.246 57.260 54.000 0.024 0.000 0.826 202 D CB -0.088 40.610 40.800 -0.170 0.000 0.973 202 D HN -0.671 7.501 8.370 -0.172 0.096 0.460 203 Y N -1.738 118.573 120.300 0.019 0.000 2.224 203 Y HA -0.326 nan 4.550 nan 0.000 0.289 203 Y C 2.183 178.102 175.900 0.032 0.000 1.146 203 Y CA 1.616 59.722 58.100 0.009 0.000 1.182 203 Y CB -0.589 37.854 38.460 -0.028 0.000 0.983 203 Y HN -0.321 7.786 8.280 -0.288 0.000 0.524 204 F N 0.991 120.974 119.950 0.055 0.000 2.102 204 F HA -0.474 nan 4.527 nan 0.000 0.298 204 F C 2.249 178.073 175.800 0.039 0.000 1.105 204 F CA 3.968 61.994 58.000 0.043 0.000 1.239 204 F CB -0.044 38.972 39.000 0.026 0.000 0.991 204 F HN 0.298 8.646 8.300 0.197 0.070 0.474 205 H N -0.761 118.369 119.070 0.099 0.000 2.422 205 H HA -0.244 nan 4.556 nan 0.000 0.298 205 H C 1.510 176.805 175.328 -0.055 0.000 1.098 205 H CA 3.061 59.112 56.048 0.005 0.000 1.315 205 H CB 0.048 29.859 29.762 0.080 0.000 1.382 205 H HN 0.021 8.281 8.280 0.141 0.105 0.523 206 R N -3.829 116.736 120.500 0.107 0.000 2.335 206 R HA 0.001 nan 4.340 nan 0.000 0.223 206 R C 0.496 176.796 176.300 -0.000 0.000 0.940 206 R CA -0.193 55.946 56.100 0.065 0.000 1.086 206 R CB 0.154 30.523 30.300 0.115 0.000 1.073 206 R HN -0.559 7.689 8.270 0.154 0.114 0.504 207 G N -3.399 105.350 108.800 -0.085 0.000 2.201 207 G HA2 -0.242 nan 3.960 nan 0.000 0.212 207 G HA3 -0.242 nan 3.960 nan 0.000 0.212 207 G C -0.473 174.383 174.900 -0.073 0.000 0.994 207 G CA -0.458 44.581 45.100 -0.102 0.000 0.644 207 G HN -0.445 7.570 8.290 -0.159 0.180 0.508 208 A N 0.980 123.788 122.820 -0.021 0.000 2.351 208 A HA 0.140 nan 4.320 nan 0.000 0.257 208 A C -0.726 176.948 177.584 0.150 0.000 1.087 208 A CA -0.053 52.013 52.037 0.050 0.000 0.798 208 A CB 1.061 20.105 19.000 0.073 0.000 1.033 208 A HN -0.285 7.864 8.150 -0.002 0.000 0.488 209 K N 0.874 121.381 120.400 0.179 0.000 2.144 209 K HA 0.139 nan 4.320 nan 0.000 0.270 209 K C -1.384 175.464 176.600 0.414 0.000 1.005 209 K CA -0.388 56.070 56.287 0.286 0.000 0.932 209 K CB 1.374 33.990 32.500 0.195 0.000 1.021 209 K HN 0.174 8.494 8.250 0.116 0.000 0.462 210 W N 1.567 123.002 121.300 0.225 0.000 2.900 210 W HA 0.423 nan 4.660 nan 0.000 0.336 210 W C -1.573 174.980 176.519 0.058 0.000 1.064 210 W CA -1.776 55.648 57.345 0.131 0.000 1.237 210 W CB 1.807 31.341 29.460 0.122 0.000 1.391 210 W HN -0.037 8.456 8.180 0.521 0.000 0.468 211 T N 8.954 123.680 114.554 0.287 0.000 2.893 211 T HA 0.418 nan 4.350 nan 0.000 0.293 211 T C -1.665 173.024 174.700 -0.020 0.000 1.027 211 T CA -0.304 61.815 62.100 0.032 0.000 0.988 211 T CB 3.473 72.394 68.868 0.088 0.000 1.043 211 T HN 0.573 9.087 8.240 0.457 0.000 0.461 212 T N 0.615 115.050 114.554 -0.199 0.000 2.833 212 T HA 0.585 nan 4.350 nan 0.000 0.297 212 T C -0.278 174.185 174.700 -0.395 0.000 1.015 212 T CA -2.536 59.405 62.100 -0.265 0.000 0.963 212 T CB 0.652 69.317 68.868 -0.339 0.000 0.955 212 T HN 0.242 8.331 8.240 -0.251 0.000 0.449 213 A N 7.106 129.595 122.820 -0.552 0.000 2.448 213 A HA 0.166 nan 4.320 nan 0.000 0.239 213 A C -1.833 175.246 177.584 -0.842 0.000 1.080 213 A CA -1.055 50.336 52.037 -1.077 0.000 0.779 213 A CB -0.538 17.790 19.000 -1.120 0.000 1.026 213 A HN 0.300 8.181 8.150 -0.448 0.000 0.499 214 P HA -0.061 nan 4.420 nan 0.000 0.262 214 P C -1.483 175.531 177.300 -0.477 0.000 1.199 214 P CA 0.072 62.846 63.100 -0.544 0.000 0.763 214 P CB 0.507 31.936 31.700 -0.452 0.000 0.790 215 K N 5.768 125.925 120.400 -0.405 0.000 2.379 215 K HA 0.188 nan 4.320 nan 0.000 0.284 215 K C -1.737 174.724 176.600 -0.233 0.000 1.044 215 K CA -1.508 54.535 56.287 -0.407 0.000 0.974 215 K CB -0.223 32.005 32.500 -0.454 0.000 0.962 215 K HN 0.149 8.175 8.250 -0.373 0.000 0.474 216 P HA 0.120 nan 4.420 nan 0.000 0.274 216 P C -0.664 176.756 177.300 0.201 0.000 1.246 216 P CA -1.028 62.063 63.100 -0.016 0.000 0.795 216 P CB 1.480 33.171 31.700 -0.015 0.000 1.006 217 T N -6.040 108.649 114.554 0.226 0.000 2.985 217 T HA -0.007 nan 4.350 nan 0.000 0.266 217 T C 1.232 176.199 174.700 0.445 0.000 1.076 217 T CA 0.555 62.850 62.100 0.325 0.000 1.135 217 T CB 0.576 69.603 68.868 0.266 0.000 0.890 217 T HN -0.093 8.685 8.240 0.154 -0.445 0.480 218 M N -2.139 117.658 119.600 0.328 0.000 2.537 218 M HA -0.543 nan 4.480 nan 0.000 0.205 218 M C -0.992 175.474 176.300 0.277 0.000 0.450 218 M CA 0.498 55.944 55.300 0.243 0.000 0.553 218 M CB -2.010 30.732 32.600 0.237 0.000 2.046 218 M HN -0.360 8.304 8.290 0.254 -0.222 0.797 219 A N -1.819 121.140 122.820 0.232 0.000 2.346 219 A HA -0.039 nan 4.320 nan 0.000 0.252 219 A C 0.846 178.447 177.584 0.029 0.000 1.089 219 A CA -0.192 51.934 52.037 0.148 0.000 0.797 219 A CB 0.720 19.773 19.000 0.089 0.000 1.047 219 A HN -0.758 7.532 8.150 0.272 0.023 0.494 220 D N 1.320 121.733 120.400 0.021 0.000 2.203 220 D HA -0.427 nan 4.640 nan 0.000 0.199 220 D C 2.148 178.369 176.300 -0.130 0.000 0.997 220 D CA 3.963 57.976 54.000 0.021 0.000 0.863 220 D CB -0.440 40.344 40.800 -0.026 0.000 0.928 220 D HN 0.708 9.099 8.370 0.035 0.000 0.458 221 E N -0.545 119.410 120.200 -0.409 0.000 2.331 221 E HA -0.223 nan 4.350 nan 0.000 0.199 221 E C 1.842 178.097 176.600 -0.576 0.000 1.008 221 E CA 2.319 58.311 56.400 -0.680 0.000 0.843 221 E CB -0.641 28.184 29.700 -1.457 0.000 0.761 221 E HN 0.350 8.426 8.360 -0.415 0.035 0.507 222 L N -1.628 119.293 121.223 -0.504 0.000 2.478 222 L HA -0.130 nan 4.340 nan 0.000 0.223 222 L C -1.331 175.173 176.870 -0.612 0.000 1.140 222 L CA 0.769 55.331 54.840 -0.463 0.000 0.842 222 L CB 0.668 42.353 42.059 -0.624 0.000 0.953 222 L HN -0.067 7.727 8.230 -0.466 0.156 0.452 223 Y N -3.873 116.364 120.300 -0.104 0.000 2.524 223 Y HA 0.280 nan 4.550 nan 0.000 0.344 223 Y C -0.652 175.183 175.900 -0.108 0.000 1.012 223 Y CA -2.119 55.911 58.100 -0.117 0.000 1.068 223 Y CB 2.618 40.984 38.460 -0.157 0.000 1.249 223 Y HN -0.290 7.714 8.280 -0.180 0.167 0.468 224 N N 3.542 122.278 118.700 0.061 0.000 2.767 224 N HA 0.136 nan 4.740 nan 0.000 0.238 224 N C 0.391 175.919 175.510 0.029 0.000 1.083 224 N CA -0.563 52.511 53.050 0.041 0.000 0.964 224 N CB -0.393 38.135 38.487 0.068 0.000 1.252 224 N HN 0.685 8.988 8.380 0.045 0.104 0.512 225 Q N 1.920 121.722 119.800 0.004 0.000 2.248 225 Q HA -0.352 nan 4.340 nan 0.000 0.208 225 Q C -0.111 175.862 176.000 -0.045 0.000 0.984 225 Q CA 2.631 58.406 55.803 -0.047 0.000 0.875 225 Q CB -0.378 28.331 28.738 -0.049 0.000 0.910 225 Q HN -0.046 8.231 8.270 0.011 0.000 0.433 226 D N -6.341 114.058 120.400 -0.001 0.000 2.615 226 D HA 0.050 nan 4.640 nan 0.000 0.236 226 D C -0.834 175.487 176.300 0.036 0.000 1.233 226 D CA -1.718 52.282 54.000 -0.001 0.000 0.829 226 D CB -1.188 39.614 40.800 0.003 0.000 1.024 226 D HN -0.231 8.095 8.370 0.018 0.055 0.490 227 Y N 4.229 124.465 120.300 -0.107 0.000 2.770 227 Y HA -0.104 nan 4.550 nan 0.000 0.342 227 Y C -0.618 175.190 175.900 -0.153 0.000 1.221 227 Y CA -2.245 55.791 58.100 -0.106 0.000 1.560 227 Y CB 0.060 38.454 38.460 -0.109 0.000 1.213 227 Y HN -0.352 7.923 8.280 0.121 0.077 0.525 228 P HA -0.090 nan 4.420 nan 0.000 0.246 228 P C -1.871 175.136 177.300 -0.488 0.000 1.675 228 P CA 0.206 63.099 63.100 -0.345 0.000 0.908 228 P CB -1.937 29.657 31.700 -0.177 0.000 1.890 229 I N 0.896 121.152 120.570 -0.524 0.000 2.328 229 I HA 0.030 nan 4.170 nan 0.000 0.287 229 I C -1.886 174.099 176.117 -0.220 0.000 1.012 229 I CA -1.403 59.710 61.300 -0.312 0.000 1.195 229 I CB 0.851 38.767 38.000 -0.139 0.000 1.350 229 I HN -0.145 7.720 8.210 -0.455 0.072 0.464 230 H N 7.769 126.934 119.070 0.158 0.000 2.740 230 H HA 0.162 nan 4.556 nan 0.000 0.265 230 H C -1.379 174.111 175.328 0.269 0.000 0.978 230 H CA 0.028 56.232 56.048 0.259 0.000 1.198 230 H CB 1.098 30.937 29.762 0.130 0.000 1.467 230 H HN 0.174 8.750 8.280 0.077 -0.250 0.511 231 S N -4.876 110.973 115.700 0.248 0.000 2.615 231 S HA 0.044 nan 4.470 nan 0.000 0.268 231 S C -0.462 174.143 174.600 0.008 0.000 1.146 231 S CA -0.933 57.290 58.200 0.039 0.000 0.818 231 S CB 2.206 65.420 63.200 0.024 0.000 1.111 231 S HN -0.881 7.629 8.310 0.208 -0.075 0.465 232 V N 1.543 121.407 119.914 -0.083 0.000 2.568 232 V HA -0.339 nan 4.120 nan 0.000 0.253 232 V C 1.422 177.325 176.094 -0.317 0.000 1.072 232 V CA 3.493 65.669 62.300 -0.207 0.000 1.084 232 V CB -0.457 31.254 31.823 -0.188 0.000 0.676 232 V HN 0.551 9.024 8.190 -0.108 -0.348 0.469 233 E N -2.380 117.781 120.200 -0.066 0.000 2.150 233 E HA -0.397 nan 4.350 nan 0.000 0.193 233 E C 2.106 178.729 176.600 0.038 0.000 0.985 233 E CA 3.194 59.635 56.400 0.068 0.000 0.814 233 E CB -0.713 29.051 29.700 0.107 0.000 0.752 233 E HN 0.266 8.597 8.360 -0.010 0.023 0.466 234 D N -0.271 120.127 120.400 -0.003 0.000 2.117 234 D HA -0.162 nan 4.640 nan 0.000 0.198 234 D C 1.966 178.220 176.300 -0.078 0.000 0.982 234 D CA 2.946 56.934 54.000 -0.020 0.000 0.828 234 D CB -0.402 40.394 40.800 -0.007 0.000 0.967 234 D HN -0.510 7.737 8.370 -0.001 0.123 0.464 235 R N -0.044 120.394 120.500 -0.102 0.000 2.081 235 R HA -0.377 nan 4.340 nan 0.000 0.235 235 R C 2.178 178.478 176.300 0.001 0.000 1.131 235 R CA 3.446 59.505 56.100 -0.068 0.000 0.960 235 R CB -0.037 30.238 30.300 -0.042 0.000 0.856 235 R HN -0.587 7.620 8.270 -0.104 0.000 0.436 236 H N -1.301 117.796 119.070 0.045 0.000 2.353 236 H HA -0.290 nan 4.556 nan 0.000 0.300 236 H C 2.422 177.767 175.328 0.028 0.000 1.090 236 H CA 2.808 58.889 56.048 0.056 0.000 1.327 236 H CB -0.029 29.777 29.762 0.074 0.000 1.383 236 H HN -0.327 7.826 8.280 -0.201 0.006 0.508 237 K N 0.118 120.600 120.400 0.136 0.000 2.057 237 K HA -0.311 nan 4.320 nan 0.000 0.206 237 K C 2.466 179.067 176.600 0.002 0.000 1.050 237 K CA 2.996 59.320 56.287 0.062 0.000 0.935 237 K CB 0.008 32.532 32.500 0.039 0.000 0.715 237 K HN -0.631 7.615 8.250 0.125 0.080 0.439 238 L N -1.640 119.550 121.223 -0.054 0.000 2.046 238 L HA -0.346 nan 4.340 nan 0.000 0.208 238 L C 2.004 178.766 176.870 -0.179 0.000 1.077 238 L CA 2.808 57.577 54.840 -0.119 0.000 0.747 238 L CB -0.294 41.636 42.059 -0.215 0.000 0.896 238 L HN 0.074 8.270 8.230 -0.057 0.000 0.432 239 A N -1.156 121.557 122.820 -0.178 0.000 1.908 239 A HA -0.347 nan 4.320 nan 0.000 0.218 239 A C 2.277 179.816 177.584 -0.075 0.000 1.181 239 A CA 3.040 54.897 52.037 -0.302 0.000 0.627 239 A CB -1.054 17.965 19.000 0.031 0.000 0.818 239 A HN 0.575 8.571 8.150 -0.068 0.114 0.445 240 A N -2.461 120.380 122.820 0.034 0.000 2.019 240 A HA -0.203 nan 4.320 nan 0.000 0.219 240 A C 1.363 178.974 177.584 0.046 0.000 1.164 240 A CA 2.292 54.376 52.037 0.079 0.000 0.644 240 A CB -0.513 18.535 19.000 0.081 0.000 0.805 240 A HN -0.030 8.148 8.150 0.045 0.000 0.449 241 Q N -2.610 117.190 119.800 0.000 0.000 2.451 241 Q HA -0.031 nan 4.340 nan 0.000 0.206 241 Q C 0.187 176.207 176.000 0.034 0.000 0.947 241 Q CA -0.402 55.407 55.803 0.009 0.000 0.937 241 Q CB 0.388 29.120 28.738 -0.009 0.000 1.025 241 Q HN -0.263 7.830 8.270 -0.033 0.157 0.511 242 G N -1.068 107.745 108.800 0.022 0.000 2.137 242 G HA2 -0.424 nan 3.960 nan 0.000 0.237 242 G HA3 -0.424 nan 3.960 nan 0.000 0.237 242 G C -1.111 173.855 174.900 0.110 0.000 1.002 242 G CA -0.051 45.153 45.100 0.174 0.000 0.702 242 G HN -0.311 7.759 8.290 -0.048 0.191 0.515 243 K N 0.705 120.993 120.400 -0.187 0.000 2.307 243 K HA 0.397 nan 4.320 nan 0.000 0.263 243 K C -1.460 174.958 176.600 -0.304 0.000 0.973 243 K CA -1.415 54.839 56.287 -0.055 0.000 0.846 243 K CB 1.753 34.288 32.500 0.058 0.000 1.100 243 K HN -0.288 7.753 8.250 -0.307 0.025 0.438 244 F N 0.949 120.966 119.950 0.113 0.000 2.611 244 F HA 0.400 nan 4.527 nan 0.000 0.324 244 F C -0.069 175.385 175.800 -0.577 0.000 1.061 244 F CA -0.630 57.277 58.000 -0.155 0.000 0.954 244 F CB 2.351 41.297 39.000 -0.090 0.000 1.301 244 F HN 0.010 8.482 8.300 0.286 0.000 0.482 245 V N 0.433 119.877 119.914 -0.783 0.000 2.594 245 V HA -0.176 nan 4.120 nan 0.000 0.253 245 V C -0.503 175.494 176.094 -0.162 0.000 1.069 245 V CA 1.892 63.763 62.300 -0.716 0.000 1.082 245 V CB 0.407 31.885 31.823 -0.574 0.000 0.680 245 V HN 0.759 9.022 8.190 -0.582 -0.422 0.469 246 T N -5.083 109.446 114.554 -0.042 0.000 2.837 246 T HA 0.416 nan 4.350 nan 0.000 0.285 246 T C 0.174 174.879 174.700 0.008 0.000 0.984 246 T CA -2.383 59.706 62.100 -0.020 0.000 1.049 246 T CB 1.447 70.299 68.868 -0.027 0.000 0.947 246 T HN -0.478 7.738 8.240 -0.009 0.019 0.472 247 T N 1.063 115.610 114.554 -0.011 0.000 2.865 247 T HA 0.196 nan 4.350 nan 0.000 0.302 247 T C -0.081 174.663 174.700 0.074 0.000 1.078 247 T CA -1.194 60.937 62.100 0.052 0.000 0.942 247 T CB 0.979 69.875 68.868 0.047 0.000 1.387 247 T HN 0.627 8.707 8.240 -0.081 0.112 0.557 248 E N -0.892 119.378 120.200 0.117 0.000 2.496 248 E HA 0.232 nan 4.350 nan 0.000 0.202 248 E C -0.697 175.983 176.600 0.133 0.000 1.021 248 E CA -0.533 55.939 56.400 0.120 0.000 1.015 248 E CB -1.278 28.504 29.700 0.137 0.000 1.102 248 E HN 0.020 8.456 8.360 0.127 0.000 0.452 249 F N 1.532 121.470 119.950 -0.020 0.000 2.126 249 F HA -0.305 nan 4.527 nan 0.000 0.299 249 F C -0.429 175.359 175.800 -0.020 0.000 1.096 249 F CA 2.079 60.063 58.000 -0.026 0.000 1.255 249 F CB 1.164 40.127 39.000 -0.061 0.000 0.997 249 F HN -0.520 7.832 8.300 0.236 0.090 0.479 250 E N -4.632 115.494 120.200 -0.124 0.000 2.407 250 E HA 0.216 nan 4.350 nan 0.000 0.279 250 E C -2.834 173.727 176.600 -0.064 0.000 1.012 250 E CA -3.159 53.110 56.400 -0.220 0.000 0.800 250 E CB 0.914 30.409 29.700 -0.343 0.000 1.276 250 E HN -0.472 7.918 8.360 0.051 0.000 0.452 251 P HA 0.104 nan 4.420 nan 0.000 0.271 251 P C -1.535 175.760 177.300 -0.009 0.000 1.216 251 P CA -0.063 63.053 63.100 0.027 0.000 0.771 251 P CB 0.439 32.164 31.700 0.042 0.000 0.864 252 C N -0.071 119.274 119.300 0.076 0.000 3.082 252 C HA 0.625 nan 4.460 nan 0.000 0.324 252 C C -2.307 172.813 174.990 0.216 0.000 1.210 252 C CA -2.657 56.374 59.018 0.022 0.000 1.366 252 C CB 3.182 30.914 27.740 -0.013 0.000 1.756 252 C HN -0.168 8.149 8.230 0.146 0.000 0.485 253 F N -2.793 117.153 119.950 -0.007 0.000 2.746 253 F HA 0.417 nan 4.527 nan 0.000 0.311 253 F C -3.432 172.408 175.800 0.066 0.000 1.135 253 F CA -0.699 57.345 58.000 0.072 0.000 0.954 253 F CB 1.546 40.672 39.000 0.211 0.000 1.276 253 F HN -0.272 7.899 8.300 -0.214 0.000 0.440 254 D N 1.287 121.920 120.400 0.389 0.000 2.192 254 D HA 0.469 nan 4.640 nan 0.000 0.246 254 D C 0.558 177.142 176.300 0.474 0.000 1.042 254 D CA -1.677 52.472 54.000 0.248 0.000 0.847 254 D CB 2.232 43.199 40.800 0.279 0.000 1.186 254 D HN -0.106 8.547 8.370 0.471 0.000 0.461 255 A N 4.458 127.454 122.820 0.293 0.000 2.019 255 A HA -0.185 nan 4.320 nan 0.000 0.219 255 A C 1.093 178.879 177.584 0.337 0.000 1.164 255 A CA 3.323 55.559 52.037 0.332 0.000 0.644 255 A CB -0.042 19.018 19.000 0.099 0.000 0.805 255 A HN 0.480 8.686 8.150 0.093 0.000 0.449 256 A N -3.581 119.322 122.820 0.139 0.000 2.248 256 A HA -0.162 nan 4.320 nan 0.000 0.210 256 A C 0.851 178.585 177.584 0.250 0.000 1.174 256 A CA 1.901 53.989 52.037 0.086 0.000 0.750 256 A CB -0.712 18.092 19.000 -0.327 0.000 0.780 256 A HN -0.169 7.967 8.150 0.016 0.024 0.478 257 D N -2.318 118.275 120.400 0.322 0.000 2.340 257 D HA 0.119 nan 4.640 nan 0.000 0.220 257 D C -0.978 175.262 176.300 -0.101 0.000 1.039 257 D CA 1.565 55.631 54.000 0.110 0.000 0.866 257 D CB 0.617 41.409 40.800 -0.014 0.000 0.913 257 D HN -0.507 8.057 8.370 0.442 0.071 0.523 258 F N -1.738 118.314 119.950 0.169 0.000 2.495 258 F HA 0.417 nan 4.527 nan 0.000 0.327 258 F C -0.800 175.141 175.800 0.236 0.000 1.103 258 F CA -0.848 57.258 58.000 0.176 0.000 0.949 258 F CB 2.774 41.831 39.000 0.096 0.000 1.142 258 F HN -0.572 7.994 8.300 0.551 0.065 0.457 259 I N 2.585 123.436 120.570 0.467 0.000 2.582 259 I HA 0.421 nan 4.170 nan 0.000 0.292 259 I C -2.403 174.017 176.117 0.504 0.000 1.066 259 I CA -1.882 59.690 61.300 0.453 0.000 1.053 259 I CB 4.736 42.998 38.000 0.437 0.000 1.241 259 I HN 0.874 9.377 8.210 0.488 0.000 0.421 260 R N 7.784 128.526 120.500 0.405 0.000 2.407 260 R HA 0.683 nan 4.340 nan 0.000 0.303 260 R C -1.534 175.029 176.300 0.439 0.000 0.981 260 R CA -1.433 54.890 56.100 0.372 0.000 0.905 260 R CB 1.327 31.751 30.300 0.207 0.000 1.099 260 R HN 0.336 9.138 8.270 0.350 -0.323 0.459 261 A N 3.236 126.401 122.820 0.576 0.000 3.355 261 A HA 0.379 nan 4.320 nan 0.000 0.290 261 A C -0.427 177.635 177.584 0.797 0.000 0.973 261 A CA -1.195 51.305 52.037 0.773 0.000 0.933 261 A CB 0.127 19.778 19.000 1.085 0.000 1.138 261 A HN 0.368 8.845 8.150 0.545 0.000 0.490 262 G N 4.071 113.225 108.800 0.591 0.000 2.543 262 G HA2 -0.454 nan 3.960 nan 0.000 0.286 262 G HA3 -0.454 nan 3.960 nan 0.000 0.286 262 G C 0.110 175.284 174.900 0.456 0.000 1.153 262 G CA 0.759 46.176 45.100 0.528 0.000 0.968 262 G HN 0.085 8.615 8.290 0.400 0.000 0.544 263 R N 2.395 123.054 120.500 0.265 0.000 2.316 263 R HA -0.048 nan 4.340 nan 0.000 0.202 263 R C -1.019 175.444 176.300 0.272 0.000 1.029 263 R CA 1.614 57.807 56.100 0.154 0.000 1.018 263 R CB 0.565 30.848 30.300 -0.030 0.000 0.888 263 R HN -0.093 8.286 8.270 0.182 0.000 0.471 264 D N -1.332 119.282 120.400 0.357 0.000 2.375 264 D HA 0.628 nan 4.640 nan 0.000 0.247 264 D C -1.909 174.480 176.300 0.147 0.000 1.061 264 D CA 0.067 54.231 54.000 0.274 0.000 0.834 264 D CB 2.903 43.907 40.800 0.340 0.000 1.247 264 D HN -0.745 7.830 8.370 0.442 0.060 0.489 265 I N 1.079 121.630 120.570 -0.032 0.000 2.509 265 I HA 0.737 nan 4.170 nan 0.000 0.293 265 I C -1.638 174.369 176.117 -0.185 0.000 1.020 265 I CA -1.028 60.292 61.300 0.034 0.000 1.088 265 I CB 3.333 41.424 38.000 0.152 0.000 1.267 265 I HN 0.861 9.038 8.210 -0.054 0.000 0.430 266 F N 5.226 125.423 119.950 0.413 0.000 2.469 266 F HA 0.807 nan 4.527 nan 0.000 0.332 266 F C -1.615 174.269 175.800 0.140 0.000 1.103 266 F CA -1.910 56.277 58.000 0.312 0.000 0.979 266 F CB 2.571 41.777 39.000 0.343 0.000 1.137 266 F HN 0.704 9.309 8.300 0.509 0.000 0.463 267 A N 1.624 124.509 122.820 0.107 0.000 2.515 267 A HA 0.981 nan 4.320 nan 0.000 0.296 267 A C -2.809 174.696 177.584 -0.132 0.000 1.094 267 A CA -1.534 50.327 52.037 -0.294 0.000 0.718 267 A CB 3.814 22.335 19.000 -0.797 0.000 1.307 267 A HN 0.926 9.184 8.150 0.180 0.000 0.408 268 Q N -1.378 118.309 119.800 -0.190 0.000 2.394 268 Q HA 0.561 nan 4.340 nan 0.000 0.273 268 Q C -1.412 174.457 176.000 -0.218 0.000 1.089 268 Q CA -1.708 54.048 55.803 -0.078 0.000 0.812 268 Q CB 3.394 32.203 28.738 0.118 0.000 1.353 268 Q HN -0.096 7.979 8.270 -0.326 0.000 0.438 269 R N 4.473 124.807 120.500 -0.278 0.000 2.267 269 R HA 0.148 nan 4.340 nan 0.000 0.319 269 R C -0.921 175.033 176.300 -0.577 0.000 1.067 269 R CA -0.410 55.346 56.100 -0.573 0.000 0.936 269 R CB -0.102 29.629 30.300 -0.947 0.000 1.006 269 R HN 0.439 8.606 8.270 -0.171 0.000 0.452 270 S N 4.091 119.454 115.700 -0.560 0.000 2.900 270 S HA 0.442 nan 4.470 nan 0.000 0.320 270 S C 0.373 174.714 174.600 -0.433 0.000 1.130 270 S CA -1.140 56.822 58.200 -0.396 0.000 0.863 270 S CB 2.687 65.817 63.200 -0.116 0.000 1.295 270 S HN 0.332 8.237 8.310 -0.500 0.104 0.596 271 Q N -1.417 118.371 119.800 -0.019 0.000 2.291 271 Q HA 0.016 nan 4.340 nan 0.000 0.205 271 Q C 1.955 177.974 176.000 0.033 0.000 0.970 271 Q CA 2.338 58.199 55.803 0.098 0.000 0.876 271 Q CB 0.472 29.304 28.738 0.156 0.000 0.935 271 Q HN 0.395 8.706 8.270 0.067 0.000 0.455 272 V N -10.427 109.492 119.914 0.007 0.000 3.605 272 V HA 0.278 nan 4.120 nan 0.000 0.284 272 V C 0.004 176.123 176.094 0.040 0.000 1.386 272 V CA -0.577 61.759 62.300 0.059 0.000 1.053 272 V CB 0.496 32.354 31.823 0.058 0.000 0.857 272 V HN -0.760 7.372 8.190 -0.034 0.038 0.436 273 T N 5.262 119.791 114.554 -0.041 0.000 2.864 273 T HA 0.289 nan 4.350 nan 0.000 0.310 273 T C -1.483 173.103 174.700 -0.189 0.000 1.040 273 T CA -0.217 61.879 62.100 -0.007 0.000 0.977 273 T CB 0.275 69.147 68.868 0.006 0.000 0.976 273 T HN -0.658 7.388 8.240 -0.133 0.114 0.459 274 N N 6.350 124.985 118.700 -0.109 0.000 2.447 274 N HA 0.419 nan 4.740 nan 0.000 0.271 274 N C 0.657 176.069 175.510 -0.164 0.000 1.226 274 N CA -1.575 51.352 53.050 -0.204 0.000 0.980 274 N CB 1.548 39.994 38.487 -0.068 0.000 1.206 274 N HN -0.305 8.084 8.380 0.014 0.000 0.558 275 Y N -2.538 117.761 120.300 -0.003 0.000 2.333 275 Y HA -0.247 nan 4.550 nan 0.000 0.290 275 Y C 2.295 178.226 175.900 0.053 0.000 1.144 275 Y CA 3.666 61.776 58.100 0.016 0.000 1.228 275 Y CB -0.001 38.470 38.460 0.017 0.000 0.985 275 Y HN 0.095 8.595 8.280 -0.158 -0.315 0.542 276 L N -1.205 120.140 121.223 0.203 0.000 2.093 276 L HA -0.364 nan 4.340 nan 0.000 0.208 276 L C 2.422 179.424 176.870 0.221 0.000 1.085 276 L CA 3.025 57.971 54.840 0.176 0.000 0.755 276 L CB -0.740 41.394 42.059 0.124 0.000 0.904 276 L HN -0.330 8.205 8.230 0.176 -0.199 0.435 277 G N -0.872 108.060 108.800 0.220 0.000 2.402 277 G HA2 -0.323 nan 3.960 nan 0.000 0.216 277 G HA3 -0.323 nan 3.960 nan 0.000 0.216 277 G C 1.408 176.427 174.900 0.199 0.000 1.162 277 G CA 1.962 47.264 45.100 0.337 0.000 0.777 277 G HN -0.019 8.263 8.290 0.164 0.106 0.539 278 I N 1.500 122.159 120.570 0.149 0.000 2.315 278 I HA -0.496 nan 4.170 nan 0.000 0.248 278 I C 1.377 177.577 176.117 0.138 0.000 1.117 278 I CA 3.710 65.102 61.300 0.153 0.000 1.404 278 I CB -0.038 38.016 38.000 0.090 0.000 1.071 278 I HN -0.259 8.028 8.210 0.128 0.000 0.419 279 E N 0.411 120.699 120.200 0.147 0.000 2.106 279 E HA -0.289 nan 4.350 nan 0.000 0.192 279 E C 1.724 178.365 176.600 0.068 0.000 0.984 279 E CA 2.798 59.255 56.400 0.095 0.000 0.806 279 E CB -0.662 29.101 29.700 0.105 0.000 0.750 279 E HN -0.295 8.172 8.360 0.177 0.000 0.458 280 W N 0.559 121.876 121.300 0.028 0.000 2.355 280 W HA -0.342 nan 4.660 nan 0.000 0.309 280 W C 2.017 178.543 176.519 0.010 0.000 1.206 280 W CA 4.064 61.429 57.345 0.034 0.000 1.284 280 W CB 0.113 29.618 29.460 0.075 0.000 1.145 280 W HN -0.241 8.056 8.180 0.327 0.078 0.502 281 M N -1.858 117.773 119.600 0.052 0.000 2.086 281 M HA -0.484 nan 4.480 nan 0.000 0.261 281 M C 2.334 178.526 176.300 -0.179 0.000 1.067 281 M CA 2.755 57.968 55.300 -0.146 0.000 1.116 281 M CB -1.079 31.350 32.600 -0.286 0.000 1.348 281 M HN -0.573 7.834 8.290 0.196 0.000 0.407 282 R N -0.994 119.450 120.500 -0.093 0.000 2.080 282 R HA -0.419 nan 4.340 nan 0.000 0.236 282 R C 2.159 178.370 176.300 -0.149 0.000 1.137 282 R CA 3.948 59.994 56.100 -0.091 0.000 0.943 282 R CB -0.085 30.184 30.300 -0.051 0.000 0.846 282 R HN 0.231 8.375 8.270 -0.029 0.108 0.431 283 R N -2.804 117.576 120.500 -0.201 0.000 2.092 283 R HA -0.229 nan 4.340 nan 0.000 0.231 283 R C 2.103 178.218 176.300 -0.307 0.000 1.119 283 R CA 2.757 58.719 56.100 -0.230 0.000 0.970 283 R CB -0.120 30.046 30.300 -0.224 0.000 0.864 283 R HN -0.025 8.021 8.270 -0.191 0.109 0.440 284 H N -1.817 116.904 119.070 -0.581 0.000 2.428 284 H HA -0.136 nan 4.556 nan 0.000 0.296 284 H C 1.069 176.218 175.328 -0.299 0.000 1.062 284 H CA 2.594 58.289 56.048 -0.589 0.000 1.350 284 H CB 0.601 29.693 29.762 -1.117 0.000 1.403 284 H HN -0.206 7.673 8.280 -0.538 0.077 0.533 285 L N -3.033 118.033 121.223 -0.260 0.000 2.375 285 L HA 0.001 nan 4.340 nan 0.000 0.215 285 L C -0.117 176.740 176.870 -0.021 0.000 1.108 285 L CA 0.214 54.980 54.840 -0.123 0.000 0.830 285 L CB 0.340 42.377 42.059 -0.036 0.000 0.959 285 L HN -0.105 8.000 8.230 -0.208 0.000 0.457 286 A N 0.626 123.395 122.820 -0.085 0.000 2.466 286 A HA -0.002 nan 4.320 nan 0.000 0.238 286 A C -1.492 176.041 177.584 -0.085 0.000 1.074 286 A CA -0.183 51.811 52.037 -0.072 0.000 0.774 286 A CB -0.973 17.972 19.000 -0.092 0.000 1.015 286 A HN -0.589 7.481 8.150 -0.133 0.000 0.498 287 P HA 0.130 nan 4.420 nan 0.000 0.245 287 P C 0.016 177.257 177.300 -0.100 0.000 1.203 287 P CA 0.616 63.670 63.100 -0.078 0.000 0.792 287 P CB 0.944 32.599 31.700 -0.075 0.000 0.997 288 D N -0.459 119.868 120.400 -0.122 0.000 2.144 288 D HA -0.175 nan 4.640 nan 0.000 0.199 288 D C 0.292 176.312 176.300 -0.466 0.000 0.984 288 D CA 3.288 57.109 54.000 -0.298 0.000 0.834 288 D CB 0.399 40.990 40.800 -0.348 0.000 0.955 288 D HN 0.122 8.391 8.370 -0.077 0.054 0.465 289 Y N -2.970 117.302 120.300 -0.046 0.000 2.429 289 Y HA 0.359 nan 4.550 nan 0.000 0.342 289 Y C -0.813 175.034 175.900 -0.088 0.000 1.004 289 Y CA -1.099 56.979 58.100 -0.037 0.000 1.075 289 Y CB 2.668 41.120 38.460 -0.015 0.000 1.214 289 Y HN -0.783 7.556 8.280 0.098 0.000 0.455 290 R N 1.698 122.215 120.500 0.030 0.000 2.387 290 R HA 0.400 nan 4.340 nan 0.000 0.314 290 R C -1.921 174.177 176.300 -0.337 0.000 0.958 290 R CA -1.073 54.914 56.100 -0.187 0.000 0.846 290 R CB 2.052 32.208 30.300 -0.239 0.000 1.147 290 R HN 0.730 9.056 8.270 0.094 0.000 0.447 291 V N 3.329 123.036 119.914 -0.347 0.000 2.370 291 V HA 0.424 nan 4.120 nan 0.000 0.283 291 V C -0.713 175.153 176.094 -0.380 0.000 1.023 291 V CA -1.043 61.104 62.300 -0.255 0.000 0.857 291 V CB 0.387 32.192 31.823 -0.029 0.000 0.985 291 V HN 0.367 8.392 8.190 -0.274 0.000 0.443 292 H N 6.227 125.231 119.070 -0.109 0.000 2.472 292 H HA 0.373 nan 4.556 nan 0.000 0.338 292 H C -1.128 174.234 175.328 0.056 0.000 1.133 292 H CA -1.810 54.220 56.048 -0.030 0.000 1.216 292 H CB 3.158 32.907 29.762 -0.022 0.000 1.497 292 H HN 0.785 8.961 8.280 -0.172 0.000 0.500 293 I N 2.123 122.797 120.570 0.174 0.000 2.336 293 I HA 0.548 nan 4.170 nan 0.000 0.292 293 I C -0.205 175.971 176.117 0.099 0.000 0.991 293 I CA -0.699 60.673 61.300 0.120 0.000 1.227 293 I CB 0.790 38.865 38.000 0.125 0.000 1.366 293 I HN 0.350 8.653 8.210 0.155 0.000 0.466 294 I N 3.125 123.712 120.570 0.028 0.000 3.002 294 I HA 0.646 nan 4.170 nan 0.000 0.310 294 I C -2.160 173.763 176.117 -0.323 0.000 1.087 294 I CA -2.206 58.997 61.300 -0.161 0.000 1.017 294 I CB 3.490 41.330 38.000 -0.267 0.000 1.226 294 I HN 0.844 9.076 8.210 0.037 0.000 0.443 295 S N -0.945 114.433 115.700 -0.537 0.000 2.595 295 S HA 0.391 nan 4.470 nan 0.000 0.281 295 S C -1.543 172.394 174.600 -1.105 0.000 1.117 295 S CA -1.287 56.627 58.200 -0.477 0.000 0.873 295 S CB 3.310 66.556 63.200 0.077 0.000 1.108 295 S HN 0.191 8.313 8.310 -0.509 -0.118 0.477 296 F N -1.869 117.893 119.950 -0.313 0.000 2.620 296 F HA 0.530 nan 4.527 nan 0.000 0.320 296 F C -1.021 174.521 175.800 -0.429 0.000 1.069 296 F CA -1.273 56.440 58.000 -0.478 0.000 0.953 296 F CB 4.332 43.199 39.000 -0.222 0.000 1.322 296 F HN -0.048 8.213 8.300 -0.065 0.000 0.479 297 K N 1.450 121.752 120.400 -0.164 0.000 2.249 297 K HA -0.123 nan 4.320 nan 0.000 0.280 297 K C -0.250 176.347 176.600 -0.005 0.000 1.033 297 K CA 0.078 56.365 56.287 0.000 0.000 0.946 297 K CB 0.736 33.253 32.500 0.029 0.000 1.005 297 K HN 0.364 8.536 8.250 -0.130 0.000 0.469 298 D N 0.721 121.089 120.400 -0.054 0.000 2.802 298 D HA -0.214 nan 4.640 nan 0.000 0.229 298 D C -2.165 174.131 176.300 -0.007 0.000 1.203 298 D CA 0.265 54.097 54.000 -0.279 0.000 0.712 298 D CB -1.380 39.094 40.800 -0.543 0.000 0.973 298 D HN 0.222 8.593 8.370 0.002 0.000 0.407 299 P HA -0.141 nan 4.420 nan 0.000 0.270 299 P C -1.258 176.158 177.300 0.194 0.000 1.223 299 P CA -0.488 62.727 63.100 0.191 0.000 0.785 299 P CB 0.690 32.562 31.700 0.288 0.000 0.923 300 N N 0.700 119.465 118.700 0.107 0.000 2.513 300 N HA 0.008 nan 4.740 nan 0.000 0.268 300 N C 0.410 175.994 175.510 0.123 0.000 1.180 300 N CA -1.584 51.535 53.050 0.115 0.000 0.948 300 N CB 1.077 39.602 38.487 0.064 0.000 1.083 300 N HN 0.154 8.551 8.380 0.027 0.000 0.455 301 P HA -0.187 nan 4.420 nan 0.000 0.217 301 P C -1.556 175.775 177.300 0.052 0.000 1.151 301 P CA 2.110 65.281 63.100 0.118 0.000 0.849 301 P CB 0.451 32.209 31.700 0.096 0.000 0.787 302 M N -7.211 112.352 119.600 -0.062 0.000 2.413 302 M HA 0.337 nan 4.480 nan 0.000 0.287 302 M C -2.333 173.779 176.300 -0.314 0.000 1.186 302 M CA -0.119 55.023 55.300 -0.264 0.000 0.927 302 M CB 4.543 36.843 32.600 -0.501 0.000 1.715 302 M HN -0.871 7.379 8.290 -0.042 0.015 0.478 303 H N -3.452 115.644 119.070 0.044 0.000 4.681 303 H HA -0.320 nan 4.556 nan 0.000 0.273 303 H C -1.229 174.125 175.328 0.043 0.000 0.577 303 H CA 0.072 56.154 56.048 0.056 0.000 0.730 303 H CB -0.424 29.374 29.762 0.060 0.000 0.982 303 H HN 0.204 8.855 8.280 0.003 -0.369 0.312 304 I N 1.333 122.016 120.570 0.190 0.000 4.070 304 I HA -0.010 nan 4.170 nan 0.000 0.328 304 I C -0.698 175.462 176.117 0.072 0.000 1.298 304 I CA -0.396 60.954 61.300 0.082 0.000 1.173 304 I CB 1.268 39.348 38.000 0.134 0.000 1.051 304 I HN 0.410 8.656 8.210 0.234 0.104 0.409 305 D N 1.247 121.729 120.400 0.136 0.000 2.378 305 D HA -0.190 nan 4.640 nan 0.000 0.227 305 D C -0.799 175.539 176.300 0.063 0.000 1.012 305 D CA 1.047 55.098 54.000 0.086 0.000 0.905 305 D CB -1.093 39.815 40.800 0.179 0.000 0.895 305 D HN -0.316 8.170 8.370 0.193 0.000 0.532 306 A N -4.952 117.908 122.820 0.067 0.000 2.610 306 A HA 0.293 nan 4.320 nan 0.000 0.291 306 A C -0.450 177.109 177.584 -0.042 0.000 1.116 306 A CA -0.202 51.884 52.037 0.082 0.000 0.963 306 A CB 0.920 20.024 19.000 0.174 0.000 1.220 306 A HN -0.150 7.974 8.150 0.064 0.064 0.530 307 T N 0.302 114.773 114.554 -0.139 0.000 3.250 307 T HA 0.278 nan 4.350 nan 0.000 0.265 307 T C -1.479 173.075 174.700 -0.242 0.000 0.973 307 T CA 1.880 63.783 62.100 -0.328 0.000 1.040 307 T CB 3.022 71.530 68.868 -0.601 0.000 1.167 307 T HN -0.265 7.847 8.240 -0.087 0.076 0.471 308 F N 2.488 122.234 119.950 -0.339 0.000 2.959 308 F HA 0.385 nan 4.527 nan 0.000 0.379 308 F C -2.780 172.952 175.800 -0.113 0.000 1.215 308 F CA -0.953 56.920 58.000 -0.211 0.000 1.190 308 F CB 1.947 40.870 39.000 -0.129 0.000 1.574 308 F HN -0.094 8.173 8.300 -0.056 0.000 0.575 309 N N 7.078 125.652 118.700 -0.211 0.000 2.457 309 N HA 0.304 nan 4.740 nan 0.000 0.250 309 N C -1.059 174.314 175.510 -0.228 0.000 0.982 309 N CA -1.506 51.443 53.050 -0.169 0.000 0.941 309 N CB 2.276 40.692 38.487 -0.119 0.000 1.120 309 N HN 0.142 8.371 8.380 -0.252 0.000 0.505 310 I N 5.977 126.466 120.570 -0.135 0.000 2.452 310 I HA -0.124 nan 4.170 nan 0.000 0.287 310 I C -0.121 175.999 176.117 0.006 0.000 1.079 310 I CA 1.302 62.543 61.300 -0.099 0.000 1.387 310 I CB -0.025 38.070 38.000 0.158 0.000 1.404 310 I HN 0.490 8.684 8.210 -0.027 0.000 0.522 311 I N 1.074 121.561 120.570 -0.138 0.000 4.081 311 I HA 0.314 nan 4.170 nan 0.000 0.333 311 I C -1.081 174.883 176.117 -0.255 0.000 1.413 311 I CA -1.315 59.950 61.300 -0.058 0.000 1.110 311 I CB 1.493 39.483 38.000 -0.016 0.000 1.082 311 I HN 0.554 8.600 8.210 -0.273 0.000 0.402 312 G N -1.092 107.191 108.800 -0.861 0.000 2.356 312 G HA2 0.215 nan 3.960 nan 0.000 0.294 312 G HA3 0.215 nan 3.960 nan 0.000 0.294 312 G C -3.519 170.080 174.900 -2.168 0.000 1.423 312 G CA -0.226 43.934 45.100 -1.568 0.000 0.806 312 G HN -0.896 6.843 8.290 -0.918 0.000 0.527 313 P HA -0.090 nan 4.420 nan 0.000 0.263 313 P C -0.247 176.452 177.300 -1.002 0.000 1.247 313 P CA 0.297 62.603 63.100 -1.324 0.000 0.876 313 P CB -0.586 30.757 31.700 -0.595 0.000 0.928 314 G N 3.798 111.772 108.800 -1.376 0.000 2.136 314 G HA2 -0.352 nan 3.960 nan 0.000 0.242 314 G HA3 -0.352 nan 3.960 nan 0.000 0.242 314 G C -1.518 172.814 174.900 -0.947 0.000 0.989 314 G CA 0.246 44.413 45.100 -1.555 0.000 0.682 314 G HN 0.086 7.405 8.290 -1.619 0.000 0.522 315 I N -2.056 117.992 120.570 -0.870 0.000 2.499 315 I HA 0.747 nan 4.170 nan 0.000 0.288 315 I C -2.451 173.392 176.117 -0.457 0.000 1.048 315 I CA -1.036 59.968 61.300 -0.493 0.000 1.062 315 I CB 2.372 40.130 38.000 -0.403 0.000 1.238 315 I HN -0.586 6.933 8.210 -1.100 0.031 0.426 316 V N 6.700 126.415 119.914 -0.332 0.000 2.841 316 V HA 0.766 nan 4.120 nan 0.000 0.310 316 V C -2.476 173.407 176.094 -0.352 0.000 1.090 316 V CA -2.528 59.516 62.300 -0.427 0.000 0.930 316 V CB 4.429 35.817 31.823 -0.725 0.000 1.014 316 V HN 0.543 8.588 8.190 -0.242 0.000 0.425 317 L N 7.488 128.515 121.223 -0.327 0.000 2.265 317 L HA 0.674 nan 4.340 nan 0.000 0.288 317 L C -1.611 175.093 176.870 -0.277 0.000 1.058 317 L CA -1.206 53.499 54.840 -0.225 0.000 0.809 317 L CB 0.268 42.258 42.059 -0.115 0.000 1.179 317 L HN 0.681 8.600 8.230 -0.341 0.107 0.429 318 S N 4.709 120.282 115.700 -0.211 0.000 2.530 318 S HA 0.178 nan 4.470 nan 0.000 0.322 318 S C -1.274 173.196 174.600 -0.216 0.000 1.085 318 S CA -2.061 56.049 58.200 -0.151 0.000 1.096 318 S CB 0.897 64.065 63.200 -0.053 0.000 0.988 318 S HN 0.653 8.856 8.310 -0.180 0.000 0.466 319 N N 9.437 127.946 118.700 -0.318 0.000 2.434 319 N HA 0.051 nan 4.740 nan 0.000 0.268 319 N C 0.106 175.334 175.510 -0.471 0.000 1.256 319 N CA -1.340 51.339 53.050 -0.618 0.000 0.914 319 N CB 0.786 38.834 38.487 -0.731 0.000 1.088 319 N HN 0.178 8.401 8.380 -0.262 0.000 0.478 320 P HA -0.183 nan 4.420 nan 0.000 0.219 320 P C -0.322 176.889 177.300 -0.148 0.000 1.146 320 P CA 2.347 65.327 63.100 -0.199 0.000 0.808 320 P CB -0.270 31.382 31.700 -0.079 0.000 0.779 321 D N -3.998 116.264 120.400 -0.229 0.000 2.347 321 D HA 0.015 nan 4.640 nan 0.000 0.213 321 D C 0.278 176.514 176.300 -0.107 0.000 0.985 321 D CA 0.866 54.815 54.000 -0.085 0.000 0.879 321 D CB -0.169 40.657 40.800 0.042 0.000 0.919 321 D HN 0.269 8.340 8.370 -0.467 0.019 0.526 322 R N -0.972 119.426 120.500 -0.169 0.000 2.629 322 R HA 0.413 nan 4.340 nan 0.000 0.277 322 R C -2.730 173.568 176.300 -0.004 0.000 1.637 322 R CA -2.609 53.433 56.100 -0.097 0.000 1.663 322 R CB 1.138 31.327 30.300 -0.185 0.000 1.228 322 R HN -0.322 7.631 8.270 -0.247 0.168 0.632 323 P HA -0.013 nan 4.420 nan 0.000 0.271 323 P C -1.365 175.967 177.300 0.052 0.000 1.216 323 P CA -0.690 62.442 63.100 0.053 0.000 0.776 323 P CB 0.853 32.569 31.700 0.026 0.000 0.881 324 C N 3.878 123.229 119.300 0.085 0.000 2.499 324 C HA 0.145 nan 4.460 nan 0.000 0.386 324 C C 1.963 176.852 174.990 -0.168 0.000 1.293 324 C CA -0.915 57.983 59.018 -0.199 0.000 1.884 324 C CB -0.112 27.532 27.740 -0.159 0.000 2.509 324 C HN 0.629 8.940 8.230 0.135 0.000 0.566 325 H N 7.690 126.641 119.070 -0.197 0.000 2.456 325 H HA -0.301 nan 4.556 nan 0.000 0.296 325 H C 1.141 176.415 175.328 -0.091 0.000 1.079 325 H CA 2.253 58.233 56.048 -0.114 0.000 1.322 325 H CB 0.146 29.836 29.762 -0.120 0.000 1.388 325 H HN 0.630 8.503 8.280 -0.678 0.000 0.538 326 Q N -2.716 117.080 119.800 -0.007 0.000 2.211 326 Q HA 0.132 nan 4.340 nan 0.000 0.231 326 Q C 0.481 176.516 176.000 0.059 0.000 0.865 326 Q CA -1.058 54.732 55.803 -0.021 0.000 0.997 326 Q CB -0.933 27.754 28.738 -0.085 0.000 1.101 326 Q HN -0.554 7.614 8.270 -0.116 0.032 0.468 327 I N 1.816 122.462 120.570 0.127 0.000 2.335 327 I HA -0.506 nan 4.170 nan 0.000 0.251 327 I C -0.061 176.162 176.117 0.176 0.000 1.129 327 I CA 2.488 63.941 61.300 0.256 0.000 1.402 327 I CB 0.162 38.257 38.000 0.158 0.000 1.069 327 I HN -0.645 7.527 8.210 0.076 0.084 0.424 328 D N -0.938 119.487 120.400 0.042 0.000 2.218 328 D HA -0.269 nan 4.640 nan 0.000 0.204 328 D C 2.233 178.463 176.300 -0.116 0.000 0.976 328 D CA 3.570 57.561 54.000 -0.016 0.000 0.853 328 D CB -0.379 40.406 40.800 -0.025 0.000 0.939 328 D HN 0.125 8.491 8.370 0.032 0.023 0.481 329 L N -0.286 120.779 121.223 -0.265 0.000 2.083 329 L HA -0.254 nan 4.340 nan 0.000 0.209 329 L C 1.212 177.693 176.870 -0.649 0.000 1.083 329 L CA 3.170 57.715 54.840 -0.493 0.000 0.752 329 L CB -0.263 41.370 42.059 -0.710 0.000 0.899 329 L HN -0.417 7.545 8.230 -0.233 0.128 0.433 330 F N -2.262 117.530 119.950 -0.264 0.000 2.187 330 F HA -0.315 nan 4.527 nan 0.000 0.295 330 F C 1.953 177.670 175.800 -0.137 0.000 1.091 330 F CA 3.777 61.557 58.000 -0.366 0.000 1.308 330 F CB -0.620 38.237 39.000 -0.238 0.000 1.030 330 F HN -0.711 7.250 8.300 -0.381 0.110 0.487 331 K N -0.499 119.959 120.400 0.098 0.000 2.057 331 K HA -0.354 nan 4.320 nan 0.000 0.207 331 K C 2.874 179.499 176.600 0.041 0.000 1.049 331 K CA 3.492 59.833 56.287 0.091 0.000 0.931 331 K CB -0.386 32.157 32.500 0.072 0.000 0.714 331 K HN -0.234 8.078 8.250 0.103 0.000 0.440 332 K N -0.532 119.854 120.400 -0.024 0.000 2.147 332 K HA -0.243 nan 4.320 nan 0.000 0.205 332 K C 1.602 178.194 176.600 -0.012 0.000 1.049 332 K CA 2.509 58.778 56.287 -0.031 0.000 0.936 332 K CB -0.266 32.191 32.500 -0.073 0.000 0.722 332 K HN 0.054 8.268 8.250 -0.060 0.000 0.446 333 A N -4.334 118.463 122.820 -0.039 0.000 2.238 333 A HA 0.114 nan 4.320 nan 0.000 0.208 333 A C 0.245 177.963 177.584 0.224 0.000 1.177 333 A CA -0.376 51.685 52.037 0.040 0.000 0.804 333 A CB -0.242 18.688 19.000 -0.116 0.000 0.823 333 A HN -0.582 7.384 8.150 -0.112 0.117 0.482 334 G N -1.933 106.984 108.800 0.195 0.000 2.160 334 G HA2 -0.263 nan 3.960 nan 0.000 0.244 334 G HA3 -0.263 nan 3.960 nan 0.000 0.244 334 G C -0.137 174.954 174.900 0.319 0.000 1.022 334 G CA -0.020 45.208 45.100 0.213 0.000 0.741 334 G HN -0.461 7.701 8.290 0.126 0.203 0.508 335 W N -0.414 120.927 121.300 0.067 0.000 2.251 335 W HA 0.170 nan 4.660 nan 0.000 0.329 335 W C 0.370 176.893 176.519 0.007 0.000 1.234 335 W CA -1.536 55.837 57.345 0.047 0.000 1.228 335 W CB 0.368 29.896 29.460 0.114 0.000 1.135 335 W HN -0.483 7.976 8.180 0.464 0.000 0.576 336 T N 5.443 120.066 114.554 0.115 0.000 2.728 336 T HA 0.206 nan 4.350 nan 0.000 0.296 336 T C -1.229 173.475 174.700 0.005 0.000 0.940 336 T CA 0.419 62.537 62.100 0.030 0.000 1.013 336 T CB 0.180 69.018 68.868 -0.050 0.000 0.912 336 T HN 1.026 9.170 8.240 -0.001 0.095 0.484 337 I N 7.396 127.979 120.570 0.022 0.000 2.312 337 I HA 0.419 nan 4.170 nan 0.000 0.290 337 I C -0.884 175.200 176.117 -0.055 0.000 1.008 337 I CA -0.671 60.615 61.300 -0.024 0.000 1.226 337 I CB 0.813 38.828 38.000 0.024 0.000 1.371 337 I HN 0.354 8.591 8.210 0.045 0.000 0.468 338 I N 9.437 129.946 120.570 -0.101 0.000 2.377 338 I HA 0.265 nan 4.170 nan 0.000 0.293 338 I C -1.358 174.692 176.117 -0.111 0.000 0.987 338 I CA -2.172 59.065 61.300 -0.105 0.000 1.185 338 I CB 1.679 39.598 38.000 -0.136 0.000 1.341 338 I HN 0.787 8.915 8.210 -0.137 0.000 0.455 339 T N 5.112 119.614 114.554 -0.087 0.000 2.770 339 T HA 0.485 nan 4.350 nan 0.000 0.297 339 T C -1.744 172.918 174.700 -0.063 0.000 0.997 339 T CA -3.877 58.173 62.100 -0.082 0.000 0.949 339 T CB 0.698 69.531 68.868 -0.058 0.000 0.941 339 T HN 0.283 8.479 8.240 -0.073 0.000 0.457 340 P HA 0.319 nan 4.420 nan 0.000 0.269 340 P C -2.389 174.981 177.300 0.116 0.000 1.215 340 P CA -1.554 61.544 63.100 -0.004 0.000 0.780 340 P CB -0.654 31.085 31.700 0.065 0.000 0.898 341 P HA 0.033 nan 4.420 nan 0.000 0.272 341 P C -0.775 176.615 177.300 0.148 0.000 1.230 341 P CA -0.611 62.542 63.100 0.089 0.000 0.788 341 P CB 0.618 32.326 31.700 0.014 0.000 0.949 342 T N -3.450 111.157 114.554 0.089 0.000 2.903 342 T HA -0.050 nan 4.350 nan 0.000 0.314 342 T C -1.211 173.330 174.700 -0.266 0.000 1.078 342 T CA -1.824 60.212 62.100 -0.107 0.000 1.114 342 T CB -0.972 67.850 68.868 -0.076 0.000 0.987 342 T HN -0.186 8.101 8.240 0.078 0.000 0.548 343 P HA 0.154 nan 4.420 nan 0.000 0.275 343 P C -0.857 176.294 177.300 -0.248 0.000 1.228 343 P CA -0.574 62.290 63.100 -0.394 0.000 0.786 343 P CB 0.597 31.944 31.700 -0.588 0.000 0.927 344 I N -4.767 115.707 120.570 -0.159 0.000 3.976 344 I HA 0.239 nan 4.170 nan 0.000 0.337 344 I C 0.188 176.238 176.117 -0.112 0.000 1.359 344 I CA -1.118 60.111 61.300 -0.118 0.000 1.098 344 I CB 0.705 38.657 38.000 -0.080 0.000 1.027 344 I HN 0.141 8.790 8.210 -0.136 -0.521 0.394 345 I N 2.762 123.255 120.570 -0.129 0.000 2.683 345 I HA 0.023 nan 4.170 nan 0.000 0.286 345 I C -1.351 174.709 176.117 -0.095 0.000 1.175 345 I CA -2.008 59.223 61.300 -0.116 0.000 1.429 345 I CB 0.711 38.645 38.000 -0.109 0.000 1.371 345 I HN -0.655 7.469 8.210 -0.154 -0.007 0.569 346 P HA 0.001 nan 4.420 nan 0.000 0.264 346 P C -0.443 176.843 177.300 -0.022 0.000 1.183 346 P CA -0.192 62.881 63.100 -0.045 0.000 0.763 346 P CB 0.603 32.285 31.700 -0.030 0.000 0.807 347 D N 2.487 122.863 120.400 -0.040 0.000 2.350 347 D HA -0.254 nan 4.640 nan 0.000 0.216 347 D C 0.783 177.065 176.300 -0.031 0.000 0.968 347 D CA 2.807 56.777 54.000 -0.050 0.000 0.894 347 D CB -0.010 40.750 40.800 -0.065 0.000 0.909 347 D HN 0.420 8.761 8.370 -0.048 0.000 0.520 348 D N -6.205 114.191 120.400 -0.006 0.000 2.323 348 D HA -0.171 nan 4.640 nan 0.000 0.209 348 D C 0.148 176.468 176.300 0.034 0.000 0.973 348 D CA 0.568 54.570 54.000 0.004 0.000 0.874 348 D CB -0.345 40.460 40.800 0.009 0.000 0.930 348 D HN -0.106 8.204 8.370 -0.006 0.057 0.521 349 H N 3.121 122.153 119.070 -0.062 0.000 2.722 349 H HA 0.110 nan 4.556 nan 0.000 0.328 349 H C -1.506 173.747 175.328 -0.124 0.000 1.067 349 H CA -1.699 54.301 56.048 -0.080 0.000 1.447 349 H CB 1.183 30.895 29.762 -0.083 0.000 1.469 349 H HN -0.464 7.714 8.280 0.114 0.170 0.544 350 P HA 0.081 nan 4.420 nan 0.000 0.276 350 P C -1.891 174.796 177.300 -1.021 0.000 1.243 350 P CA -0.171 62.481 63.100 -0.747 0.000 0.768 350 P CB 0.805 31.924 31.700 -0.968 0.000 0.856 351 L N 2.629 123.419 121.223 -0.721 0.000 2.408 351 L HA 0.255 nan 4.340 nan 0.000 0.257 351 L C 0.027 176.460 176.870 -0.729 0.000 1.053 351 L CA -0.909 53.613 54.840 -0.530 0.000 0.922 351 L CB 0.106 42.082 42.059 -0.137 0.000 1.261 351 L HN -0.035 7.956 8.230 -0.398 0.000 0.458 352 W N 0.592 121.565 121.300 -0.544 0.000 2.331 352 W HA -0.307 nan 4.660 nan 0.000 0.291 352 W C -0.038 176.483 176.519 0.004 0.000 1.214 352 W CA 2.439 59.474 57.345 -0.516 0.000 1.228 352 W CB 0.212 29.573 29.460 -0.165 0.000 1.135 352 W HN -0.055 7.556 8.180 -0.949 0.000 0.537 353 M N -5.419 114.332 119.600 0.252 0.000 2.631 353 M HA 0.094 nan 4.480 nan 0.000 0.288 353 M C -1.424 175.026 176.300 0.250 0.000 1.260 353 M CA -0.690 54.810 55.300 0.334 0.000 0.842 353 M CB 3.355 36.176 32.600 0.369 0.000 1.743 353 M HN -0.932 7.416 8.290 0.135 0.023 0.461 354 S N -0.397 115.471 115.700 0.280 0.000 3.514 354 S HA -0.346 nan 4.470 nan 0.000 0.634 354 S C -2.071 172.737 174.600 0.347 0.000 2.489 354 S CA 1.392 59.755 58.200 0.272 0.000 2.771 354 S CB 0.067 63.398 63.200 0.217 0.000 0.328 354 S HN 0.960 9.441 8.310 0.286 0.000 1.714 355 S N -1.574 114.304 115.700 0.296 0.000 2.819 355 S HA 0.309 nan 4.470 nan 0.000 0.299 355 S C -0.578 174.109 174.600 0.144 0.000 1.192 355 S CA -0.745 57.618 58.200 0.273 0.000 0.847 355 S CB 2.437 65.879 63.200 0.404 0.000 1.224 355 S HN -0.292 8.175 8.310 0.260 0.000 0.537 356 K N -1.587 118.828 120.400 0.026 0.000 2.362 356 K HA -0.140 nan 4.320 nan 0.000 0.200 356 K C 1.478 177.980 176.600 -0.163 0.000 1.046 356 K CA 2.065 58.277 56.287 -0.125 0.000 0.952 356 K CB -0.444 31.890 32.500 -0.277 0.000 0.753 356 K HN 0.421 8.680 8.250 0.015 0.000 0.466 357 W N -1.319 120.025 121.300 0.072 0.000 3.216 357 W HA -0.125 nan 4.660 nan 0.000 0.247 357 W C 1.173 177.737 176.519 0.075 0.000 1.326 357 W CA 0.552 57.937 57.345 0.066 0.000 1.564 357 W CB -0.391 29.107 29.460 0.064 0.000 1.113 357 W HN -0.642 7.623 8.180 0.215 0.044 0.722 358 L N -0.460 120.899 121.223 0.225 0.000 2.353 358 L HA -0.487 nan 4.340 nan 0.000 0.220 358 L C 1.702 178.679 176.870 0.180 0.000 1.133 358 L CA 2.334 57.283 54.840 0.182 0.000 0.798 358 L CB -0.955 41.172 42.059 0.114 0.000 0.922 358 L HN -0.638 7.584 8.230 0.156 0.101 0.445 359 S N 1.359 117.159 115.700 0.166 0.000 2.387 359 S HA -0.355 nan 4.470 nan 0.000 0.230 359 S C 1.165 175.928 174.600 0.272 0.000 1.035 359 S CA 2.988 61.296 58.200 0.180 0.000 1.014 359 S CB -0.128 63.129 63.200 0.095 0.000 0.836 359 S HN -0.522 7.818 8.310 0.120 0.042 0.466 360 M N -4.675 115.113 119.600 0.315 0.000 2.494 360 M HA 0.198 nan 4.480 nan 0.000 0.232 360 M C 0.356 176.796 176.300 0.232 0.000 1.137 360 M CA 0.037 55.508 55.300 0.285 0.000 1.012 360 M CB 0.159 32.908 32.600 0.249 0.000 1.567 360 M HN -0.676 7.821 8.290 0.369 0.015 0.486 361 N N 3.380 122.226 118.700 0.245 0.000 3.111 361 N HA 0.067 nan 4.740 nan 0.000 0.302 361 N C -1.343 174.354 175.510 0.312 0.000 1.317 361 N CA -0.860 52.329 53.050 0.231 0.000 1.151 361 N CB -0.908 37.713 38.487 0.223 0.000 1.456 361 N HN -0.170 8.150 8.380 0.257 0.215 0.547 362 V N -4.182 115.899 119.914 0.279 0.000 3.133 362 V HA 0.428 nan 4.120 nan 0.000 0.305 362 V C -1.329 174.904 176.094 0.232 0.000 1.084 362 V CA -1.484 60.978 62.300 0.271 0.000 1.089 362 V CB 0.697 32.592 31.823 0.120 0.000 1.073 362 V HN -0.542 7.776 8.190 0.224 0.006 0.477 363 L N 2.500 123.816 121.223 0.154 0.000 2.356 363 L HA 0.529 nan 4.340 nan 0.000 0.277 363 L C -1.348 175.529 176.870 0.012 0.000 0.996 363 L CA -0.830 54.105 54.840 0.159 0.000 0.822 363 L CB 3.921 46.088 42.059 0.179 0.000 1.256 363 L HN -0.379 7.874 8.230 0.039 0.000 0.413 364 M N 4.810 124.441 119.600 0.051 0.000 2.144 364 M HA 0.372 nan 4.480 nan 0.000 0.356 364 M C 0.530 176.836 176.300 0.010 0.000 1.217 364 M CA -1.350 53.954 55.300 0.006 0.000 1.087 364 M CB -0.492 32.159 32.600 0.085 0.000 1.609 364 M HN 0.772 9.138 8.290 0.127 0.000 0.467 365 L N 2.916 124.121 121.223 -0.031 0.000 2.270 365 L HA -0.073 nan 4.340 nan 0.000 0.210 365 L C -0.445 176.427 176.870 0.003 0.000 1.104 365 L CA 2.074 56.901 54.840 -0.022 0.000 0.804 365 L CB 0.068 42.098 42.059 -0.049 0.000 0.937 365 L HN 0.980 9.067 8.230 -0.069 0.102 0.450 366 D N -4.367 116.043 120.400 0.017 0.000 2.792 366 D HA 0.039 nan 4.640 nan 0.000 0.335 366 D C 0.643 176.987 176.300 0.072 0.000 1.353 366 D CA -0.545 53.489 54.000 0.056 0.000 0.839 366 D CB 0.246 41.069 40.800 0.038 0.000 1.396 366 D HN -0.678 7.671 8.370 -0.003 0.020 0.479 367 E N -1.692 118.570 120.200 0.102 0.000 2.209 367 E HA -0.274 nan 4.350 nan 0.000 0.196 367 E C 0.763 177.355 176.600 -0.013 0.000 0.993 367 E CA 2.804 59.233 56.400 0.047 0.000 0.819 367 E CB 0.048 29.760 29.700 0.021 0.000 0.745 367 E HN 0.235 8.669 8.360 0.124 0.000 0.477 368 K N -4.593 115.799 120.400 -0.013 0.000 2.537 368 K HA 0.277 nan 4.320 nan 0.000 0.206 368 K C -1.758 174.812 176.600 -0.051 0.000 1.041 368 K CA -1.203 55.067 56.287 -0.029 0.000 1.090 368 K CB 0.580 33.070 32.500 -0.017 0.000 0.833 368 K HN -0.280 8.245 8.250 0.003 -0.273 0.493 369 R N -1.374 119.083 120.500 -0.072 0.000 2.510 369 R HA 0.485 nan 4.340 nan 0.000 0.294 369 R C -2.668 173.534 176.300 -0.163 0.000 1.056 369 R CA -0.253 55.783 56.100 -0.106 0.000 0.918 369 R CB 3.303 33.559 30.300 -0.074 0.000 1.187 369 R HN -0.556 7.679 8.270 -0.059 0.000 0.437 370 V N 4.761 124.516 119.914 -0.264 0.000 2.604 370 V HA 0.772 nan 4.120 nan 0.000 0.305 370 V C -2.389 173.480 176.094 -0.376 0.000 1.043 370 V CA -2.727 59.349 62.300 -0.373 0.000 0.888 370 V CB 4.290 35.670 31.823 -0.737 0.000 0.995 370 V HN 0.768 8.803 8.190 -0.258 0.000 0.429 371 M N 9.403 128.770 119.600 -0.387 0.000 2.108 371 M HA 0.604 nan 4.480 nan 0.000 0.354 371 M C -2.334 173.525 176.300 -0.736 0.000 1.229 371 M CA 0.175 55.127 55.300 -0.580 0.000 1.081 371 M CB 1.354 33.570 32.600 -0.640 0.000 1.606 371 M HN 0.588 8.691 8.290 -0.313 0.000 0.467 372 V N 5.398 124.944 119.914 -0.613 0.000 3.040 372 V HA 0.497 nan 4.120 nan 0.000 0.312 372 V C -2.775 173.344 176.094 0.042 0.000 1.115 372 V CA -3.123 59.049 62.300 -0.213 0.000 0.998 372 V CB 4.423 36.208 31.823 -0.064 0.000 1.042 372 V HN 0.663 8.533 8.190 -0.534 0.000 0.433 373 D N 3.774 124.432 120.400 0.430 0.000 2.458 373 D HA -0.095 nan 4.640 nan 0.000 0.243 373 D C 0.812 177.205 176.300 0.154 0.000 1.146 373 D CA 1.454 55.672 54.000 0.364 0.000 0.877 373 D CB 1.239 42.183 40.800 0.240 0.000 1.176 373 D HN 0.328 8.976 8.370 0.463 0.000 0.461 374 A N 8.021 130.909 122.820 0.113 0.000 2.019 374 A HA -0.260 nan 4.320 nan 0.000 0.219 374 A C 1.081 178.680 177.584 0.025 0.000 1.164 374 A CA 2.569 54.633 52.037 0.045 0.000 0.644 374 A CB 0.065 19.081 19.000 0.025 0.000 0.805 374 A HN 0.558 8.694 8.150 0.159 0.109 0.449 375 N N -3.629 115.082 118.700 0.018 0.000 2.376 375 N HA -0.092 nan 4.740 nan 0.000 0.177 375 N C 0.210 175.718 175.510 -0.005 0.000 1.024 375 N CA 2.060 55.104 53.050 -0.011 0.000 0.893 375 N CB 0.512 38.971 38.487 -0.046 0.000 0.980 375 N HN -0.307 8.319 8.380 0.033 -0.226 0.439 376 E N 1.245 121.458 120.200 0.023 0.000 1.972 376 E HA 0.050 nan 4.350 nan 0.000 0.292 376 E C -0.030 176.592 176.600 0.037 0.000 1.193 376 E CA -0.488 55.927 56.400 0.024 0.000 1.228 376 E CB -1.888 27.845 29.700 0.055 0.000 1.167 376 E HN -0.571 7.817 8.360 0.048 0.000 0.479 377 V N 3.066 122.989 119.914 0.016 0.000 2.324 377 V HA -0.304 nan 4.120 nan 0.000 0.250 377 V C -0.501 175.604 176.094 0.019 0.000 1.060 377 V CA 6.184 68.495 62.300 0.019 0.000 1.042 377 V CB -2.799 29.027 31.823 0.004 0.000 0.650 377 V HN -0.241 7.896 8.190 0.002 0.054 0.450 378 P HA -0.246 nan 4.420 nan 0.000 0.216 378 P C 1.509 178.801 177.300 -0.012 0.000 1.150 378 P CA 3.418 66.513 63.100 -0.007 0.000 0.837 378 P CB -0.421 31.270 31.700 -0.016 0.000 0.786 379 I N -3.271 117.304 120.570 0.008 0.000 2.617 379 I HA -0.395 nan 4.170 nan 0.000 0.256 379 I C 1.033 177.182 176.117 0.054 0.000 1.167 379 I CA 2.090 63.375 61.300 -0.024 0.000 1.469 379 I CB -0.143 37.891 38.000 0.056 0.000 1.098 379 I HN -0.731 7.495 8.210 0.026 0.000 0.436 380 Q N 0.344 120.228 119.800 0.140 0.000 2.079 380 Q HA -0.390 nan 4.340 nan 0.000 0.200 380 Q C 2.481 178.561 176.000 0.132 0.000 0.974 380 Q CA 3.656 59.581 55.803 0.203 0.000 0.840 380 Q CB -0.223 28.582 28.738 0.112 0.000 0.898 380 Q HN -0.508 7.710 8.270 0.100 0.111 0.430 381 K N -1.138 119.292 120.400 0.049 0.000 2.147 381 K HA -0.255 nan 4.320 nan 0.000 0.205 381 K C 2.270 178.861 176.600 -0.015 0.000 1.049 381 K CA 2.051 58.349 56.287 0.018 0.000 0.936 381 K CB -0.719 31.781 32.500 -0.000 0.000 0.722 381 K HN -0.006 8.267 8.250 0.038 0.000 0.446 382 M N 0.076 119.625 119.600 -0.086 0.000 2.099 382 M HA -0.316 nan 4.480 nan 0.000 0.262 382 M C 2.022 178.222 176.300 -0.166 0.000 1.067 382 M CA 3.810 59.002 55.300 -0.180 0.000 1.124 382 M CB -0.077 32.328 32.600 -0.327 0.000 1.353 382 M HN -0.689 7.433 8.290 -0.088 0.116 0.410 383 F N -2.152 117.789 119.950 -0.016 0.000 2.171 383 F HA -0.405 nan 4.527 nan 0.000 0.300 383 F C 2.163 177.947 175.800 -0.027 0.000 1.090 383 F CA 3.728 61.713 58.000 -0.026 0.000 1.293 383 F CB -0.800 38.185 39.000 -0.026 0.000 1.013 383 F HN -0.418 7.788 8.300 -0.156 0.000 0.486 384 E N -1.173 119.122 120.200 0.158 0.000 2.150 384 E HA -0.323 nan 4.350 nan 0.000 0.193 384 E C 2.925 179.550 176.600 0.041 0.000 0.985 384 E CA 3.073 59.522 56.400 0.081 0.000 0.814 384 E CB -0.450 29.285 29.700 0.058 0.000 0.752 384 E HN -0.100 8.357 8.360 0.162 0.000 0.466 385 K N -0.358 120.055 120.400 0.021 0.000 2.365 385 K HA -0.187 nan 4.320 nan 0.000 0.199 385 K C 1.109 177.710 176.600 0.001 0.000 1.045 385 K CA 2.290 58.578 56.287 0.002 0.000 0.962 385 K CB -0.137 32.354 32.500 -0.015 0.000 0.759 385 K HN -0.462 7.798 8.250 0.016 0.000 0.469 386 L N -2.967 118.265 121.223 0.014 0.000 2.592 386 L HA 0.061 nan 4.340 nan 0.000 0.227 386 L C -0.258 176.625 176.870 0.022 0.000 1.127 386 L CA -0.327 54.521 54.840 0.013 0.000 0.884 386 L CB 0.045 42.118 42.059 0.023 0.000 1.065 386 L HN -0.875 7.209 8.230 0.032 0.165 0.457 387 G N -1.848 106.968 108.800 0.027 0.000 2.143 387 G HA2 -0.412 nan 3.960 nan 0.000 0.248 387 G HA3 -0.412 nan 3.960 nan 0.000 0.248 387 G C -0.382 174.531 174.900 0.021 0.000 0.991 387 G CA 0.380 45.491 45.100 0.018 0.000 0.689 387 G HN -0.395 7.718 8.290 0.031 0.196 0.522 388 I N 0.751 121.352 120.570 0.052 0.000 2.304 388 I HA -0.067 nan 4.170 nan 0.000 0.291 388 I C -0.550 175.571 176.117 0.006 0.000 1.018 388 I CA -0.590 60.730 61.300 0.032 0.000 1.260 388 I CB 0.432 38.478 38.000 0.078 0.000 1.390 388 I HN -0.156 8.068 8.210 0.083 0.036 0.475 389 T N 10.193 124.727 114.554 -0.033 0.000 2.829 389 T HA 0.028 nan 4.350 nan 0.000 0.293 389 T C -0.167 174.479 174.700 -0.090 0.000 0.970 389 T CA 1.089 63.162 62.100 -0.045 0.000 1.168 389 T CB 0.135 68.974 68.868 -0.048 0.000 0.911 389 T HN 0.078 8.297 8.240 -0.036 0.000 0.535 390 T N 3.070 117.582 114.554 -0.070 0.000 2.771 390 T HA 0.599 nan 4.350 nan 0.000 0.291 390 T C -0.262 174.371 174.700 -0.112 0.000 0.954 390 T CA -1.940 60.095 62.100 -0.108 0.000 1.045 390 T CB 0.335 69.185 68.868 -0.031 0.000 0.917 390 T HN 0.169 8.389 8.240 -0.033 0.000 0.484 391 I N 7.133 127.603 120.570 -0.168 0.000 2.337 391 I HA 0.220 nan 4.170 nan 0.000 0.285 391 I C -1.072 174.930 176.117 -0.191 0.000 1.041 391 I CA -0.691 60.513 61.300 -0.160 0.000 1.199 391 I CB 0.734 38.626 38.000 -0.181 0.000 1.370 391 I HN 0.836 8.910 8.210 -0.225 0.000 0.470 392 K N 6.995 127.325 120.400 -0.117 0.000 2.312 392 K HA 0.291 nan 4.320 nan 0.000 0.287 392 K C -1.223 175.340 176.600 -0.061 0.000 1.062 392 K CA 0.122 56.359 56.287 -0.083 0.000 0.934 392 K CB 0.250 32.731 32.500 -0.031 0.000 1.027 392 K HN 0.220 8.418 8.250 -0.087 0.000 0.478 393 V N 3.962 123.863 119.914 -0.021 0.000 2.709 393 V HA 0.196 nan 4.120 nan 0.000 0.308 393 V C -1.465 174.738 176.094 0.182 0.000 1.062 393 V CA -1.702 60.639 62.300 0.069 0.000 0.901 393 V CB 4.049 35.924 31.823 0.086 0.000 1.003 393 V HN 0.561 8.740 8.190 -0.018 0.000 0.425 394 N N 5.746 124.494 118.700 0.079 0.000 2.419 394 N HA 0.284 nan 4.740 nan 0.000 0.264 394 N C -0.484 175.012 175.510 -0.023 0.000 1.031 394 N CA -0.001 53.068 53.050 0.032 0.000 0.951 394 N CB 0.553 39.031 38.487 -0.015 0.000 1.101 394 N HN 0.289 8.692 8.380 0.039 0.000 0.488 395 I N -0.420 120.101 120.570 -0.081 0.000 3.171 395 I HA 0.391 nan 4.170 nan 0.000 0.329 395 I C 0.093 176.114 176.117 -0.161 0.000 1.522 395 I CA -1.938 59.241 61.300 -0.201 0.000 0.948 395 I CB 0.407 38.159 38.000 -0.413 0.000 1.527 395 I HN -0.445 7.896 8.210 -0.053 -0.162 0.547 396 R N 3.515 123.942 120.500 -0.121 0.000 2.103 396 R HA -0.402 nan 4.340 nan 0.000 0.242 396 R C 1.268 177.587 176.300 0.031 0.000 1.142 396 R CA 3.555 59.574 56.100 -0.135 0.000 0.960 396 R CB -0.414 29.743 30.300 -0.238 0.000 0.858 396 R HN 0.306 8.739 8.270 -0.112 -0.231 0.439 397 N N -1.111 117.613 118.700 0.040 0.000 2.354 397 N HA -0.157 nan 4.740 nan 0.000 0.179 397 N C 2.247 177.904 175.510 0.246 0.000 1.021 397 N CA 3.097 56.252 53.050 0.175 0.000 0.887 397 N CB -0.145 38.298 38.487 -0.074 0.000 0.974 397 N HN -0.474 8.267 8.380 -0.047 -0.389 0.437 398 A N 0.904 123.764 122.820 0.065 0.000 1.968 398 A HA -0.189 nan 4.320 nan 0.000 0.217 398 A C 1.996 179.740 177.584 0.267 0.000 1.169 398 A CA 2.756 54.835 52.037 0.071 0.000 0.638 398 A CB -0.692 18.034 19.000 -0.457 0.000 0.812 398 A HN 0.031 8.268 8.150 -0.041 -0.112 0.446 399 N N -1.266 117.517 118.700 0.138 0.000 2.149 399 N HA -0.286 nan 4.740 nan 0.000 0.188 399 N C 2.554 178.133 175.510 0.115 0.000 1.019 399 N CA 2.631 55.766 53.050 0.142 0.000 0.857 399 N CB -0.849 37.682 38.487 0.074 0.000 0.997 399 N HN 0.279 8.687 8.380 0.046 0.000 0.426 400 S N 1.099 116.835 115.700 0.061 0.000 2.387 400 S HA -0.302 nan 4.470 nan 0.000 0.230 400 S C 1.589 176.155 174.600 -0.056 0.000 1.035 400 S CA 3.394 61.453 58.200 -0.235 0.000 1.014 400 S CB -0.505 62.354 63.200 -0.569 0.000 0.836 400 S HN -0.598 7.790 8.310 0.165 0.021 0.466 401 L N -2.511 118.773 121.223 0.102 0.000 2.456 401 L HA -0.209 nan 4.340 nan 0.000 0.224 401 L C 0.645 177.591 176.870 0.126 0.000 1.148 401 L CA 1.230 56.122 54.840 0.087 0.000 0.825 401 L CB 0.031 42.078 42.059 -0.020 0.000 0.937 401 L HN -0.605 7.705 8.230 0.169 0.022 0.450 402 G N -3.738 105.131 108.800 0.115 0.000 2.141 402 G HA2 -0.181 nan 3.960 nan 0.000 0.164 402 G HA3 -0.181 nan 3.960 nan 0.000 0.164 402 G C -1.075 173.881 174.900 0.094 0.000 1.009 402 G CA -0.485 44.694 45.100 0.132 0.000 0.677 402 G HN 0.008 8.162 8.290 0.111 0.202 0.508 403 G N -1.993 106.872 108.800 0.108 0.000 2.704 403 G HA2 0.215 nan 3.960 nan 0.000 0.293 403 G HA3 0.215 nan 3.960 nan 0.000 0.293 403 G C -1.977 173.079 174.900 0.260 0.000 1.421 403 G CA -0.481 44.687 45.100 0.114 0.000 0.870 403 G HN -0.874 7.523 8.290 0.178 0.000 0.492 404 G N -1.122 107.789 108.800 0.184 0.000 2.990 404 G HA2 0.620 nan 3.960 nan 0.000 0.208 404 G HA3 0.620 nan 3.960 nan 0.000 0.208 404 G C 0.000 174.910 174.900 0.017 0.000 1.334 404 G CA -1.639 43.446 45.100 -0.026 0.000 1.024 404 G HN -0.638 7.755 8.290 0.173 0.000 0.574 405 F N 0.042 120.118 119.950 0.209 0.000 2.126 405 F HA -0.310 nan 4.527 nan 0.000 0.299 405 F C 2.075 178.001 175.800 0.210 0.000 1.096 405 F CA 4.476 62.583 58.000 0.178 0.000 1.255 405 F CB -0.039 39.021 39.000 0.099 0.000 0.997 405 F HN -0.161 7.924 8.300 -0.359 0.000 0.479 406 H N -0.239 118.999 119.070 0.280 0.000 2.389 406 H HA -0.289 nan 4.556 nan 0.000 0.299 406 H C 2.170 177.574 175.328 0.128 0.000 1.081 406 H CA 4.876 61.035 56.048 0.184 0.000 1.345 406 H CB 0.505 30.360 29.762 0.156 0.000 1.393 406 H HN -0.087 8.476 8.280 0.471 0.000 0.520 407 C N -0.568 118.820 119.300 0.148 0.000 2.466 407 C HA -0.216 nan 4.460 nan 0.000 0.278 407 C C 2.074 177.018 174.990 -0.076 0.000 1.288 407 C CA 4.037 63.046 59.018 -0.014 0.000 1.722 407 C CB -1.217 26.505 27.740 -0.030 0.000 2.017 407 C HN -0.509 7.847 8.230 0.240 0.018 0.488 408 W N -2.185 119.081 121.300 -0.057 0.000 3.077 408 W HA -0.160 nan 4.660 nan 0.000 0.245 408 W C -1.156 175.351 176.519 -0.020 0.000 1.316 408 W CA 1.496 58.809 57.345 -0.053 0.000 1.537 408 W CB -0.533 28.895 29.460 -0.053 0.000 1.131 408 W HN -0.103 8.297 8.180 0.367 0.000 0.695 409 T N -8.111 106.523 114.554 0.134 0.000 2.883 409 T HA 0.581 nan 4.350 nan 0.000 0.296 409 T C -2.801 171.871 174.700 -0.046 0.000 1.117 409 T CA -2.294 59.851 62.100 0.075 0.000 1.006 409 T CB 3.400 72.322 68.868 0.089 0.000 1.191 409 T HN -0.690 7.506 8.240 0.060 0.080 0.508 410 C N 2.669 121.952 119.300 -0.027 0.000 2.571 410 C HA 0.436 nan 4.460 nan 0.000 0.343 410 C C -1.951 173.015 174.990 -0.041 0.000 1.082 410 C CA -1.458 57.515 59.018 -0.075 0.000 1.339 410 C CB 1.636 29.327 27.740 -0.082 0.000 1.893 410 C HN 0.444 8.688 8.230 0.024 0.000 0.445 411 D N 8.011 128.374 120.400 -0.061 0.000 2.401 411 D HA -0.067 nan 4.640 nan 0.000 0.254 411 D C -0.713 175.538 176.300 -0.082 0.000 1.192 411 D CA 0.610 54.579 54.000 -0.052 0.000 0.885 411 D CB 0.034 40.804 40.800 -0.050 0.000 1.147 411 D HN -0.075 8.242 8.370 -0.089 0.000 0.478 412 V N 0.891 120.752 119.914 -0.088 0.000 2.795 412 V HA 0.063 nan 4.120 nan 0.000 0.243 412 V C -0.274 175.695 176.094 -0.209 0.000 1.069 412 V CA 1.918 64.118 62.300 -0.168 0.000 1.089 412 V CB 1.170 32.877 31.823 -0.194 0.000 0.756 412 V HN 0.293 8.450 8.190 -0.055 0.000 0.471 413 R N -1.585 118.825 120.500 -0.151 0.000 2.514 413 R HA 0.480 nan 4.340 nan 0.000 0.296 413 R C -2.381 173.864 176.300 -0.092 0.000 1.012 413 R CA -0.603 55.414 56.100 -0.138 0.000 0.897 413 R CB 2.898 33.121 30.300 -0.128 0.000 1.184 413 R HN -0.553 7.652 8.270 -0.108 0.000 0.440 414 R N 4.937 125.381 120.500 -0.094 0.000 2.686 414 R HA 0.573 nan 4.340 nan 0.000 0.286 414 R C -1.658 174.626 176.300 -0.028 0.000 0.969 414 R CA -1.579 54.483 56.100 -0.063 0.000 0.898 414 R CB 3.589 33.833 30.300 -0.092 0.000 1.183 414 R HN 0.769 8.966 8.270 -0.122 0.000 0.456 415 R N 3.924 124.423 120.500 -0.002 0.000 2.248 415 R HA -0.079 nan 4.340 nan 0.000 0.337 415 R C -0.919 175.416 176.300 0.059 0.000 1.085 415 R CA 0.655 56.772 56.100 0.027 0.000 0.934 415 R CB -0.184 30.130 30.300 0.024 0.000 1.034 415 R HN 0.650 8.800 8.270 -0.006 0.116 0.465 416 G N 4.264 113.124 108.800 0.101 0.000 2.320 416 G HA2 0.065 nan 3.960 nan 0.000 0.296 416 G HA3 0.065 nan 3.960 nan 0.000 0.296 416 G C -2.704 172.314 174.900 0.195 0.000 1.306 416 G CA 0.281 45.462 45.100 0.135 0.000 0.836 416 G HN -0.311 8.045 8.290 0.110 0.000 0.517 417 T N -3.707 110.911 114.554 0.106 0.000 2.927 417 T HA 0.351 nan 4.350 nan 0.000 0.286 417 T C -0.697 173.775 174.700 -0.380 0.000 1.040 417 T CA -2.190 59.857 62.100 -0.089 0.000 1.010 417 T CB 2.580 71.399 68.868 -0.081 0.000 1.177 417 T HN 0.154 8.458 8.240 0.106 0.000 0.546 418 L N 1.578 122.303 121.223 -0.830 0.000 2.360 418 L HA 0.158 nan 4.340 nan 0.000 0.276 418 L C -0.870 175.797 176.870 -0.338 0.000 1.121 418 L CA 0.061 54.423 54.840 -0.796 0.000 0.845 418 L CB 0.418 41.977 42.059 -0.833 0.000 1.143 418 L HN 0.133 7.933 8.230 -0.717 0.000 0.452 419 Q N 4.281 123.951 119.800 -0.216 0.000 2.553 419 Q HA 0.241 nan 4.340 nan 0.000 0.293 419 Q C -2.179 173.557 176.000 -0.440 0.000 1.038 419 Q CA -1.779 53.837 55.803 -0.312 0.000 0.777 419 Q CB 4.115 32.646 28.738 -0.346 0.000 1.487 419 Q HN 0.029 8.238 8.270 -0.102 0.000 0.426 420 S N -1.061 114.350 115.700 -0.482 0.000 2.472 420 S HA 0.452 nan 4.470 nan 0.000 0.303 420 S C -1.137 173.190 174.600 -0.456 0.000 1.099 420 S CA -1.435 56.579 58.200 -0.310 0.000 1.077 420 S CB 0.553 63.696 63.200 -0.095 0.000 1.031 420 S HN 0.134 8.203 8.310 -0.401 0.000 0.487 421 Y N 4.197 124.697 120.300 0.333 0.000 2.471 421 Y HA 0.182 nan 4.550 nan 0.000 0.249 421 Y C 0.002 176.255 175.900 0.588 0.000 1.116 421 Y CA 0.072 58.393 58.100 0.367 0.000 1.240 421 Y CB 1.073 39.725 38.460 0.320 0.000 1.251 421 Y HN 0.984 9.442 8.280 0.296 0.000 0.527 422 L N -0.325 121.253 121.223 0.592 0.000 2.567 422 L HA 0.017 nan 4.340 nan 0.000 0.225 422 L C -0.596 176.409 176.870 0.226 0.000 1.119 422 L CA 0.194 55.289 54.840 0.426 0.000 0.871 422 L CB 0.515 42.729 42.059 0.259 0.000 1.036 422 L HN -0.420 8.080 8.230 0.449 0.000 0.459 423 D N 0.000 120.518 120.400 0.196 0.000 6.856 423 D HA 0.000 nan 4.640 nan 0.000 0.175 423 D CA 0.000 54.063 54.000 0.105 0.000 0.868 423 D CB 0.000 40.860 40.800 0.100 0.000 0.688 423 D HN 0.000 8.441 8.370 0.215 0.058 0.683